A0A096MTR5_PAPAN Loading...

Ring finger protein 103

AlphaFold DB , UniProt , Accession A0A096MTR5, Species PAPAN (Papio anubis, Olive baboon), Gene RNF103, Length 685 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
1M71.6Confident86.5Confident153 Ų15380.8 Ų80.875%0.75438%0.376SS*.  0-57.40-156.1173.182.300112.1L3 K4 L5M1-L3 VanDerWaalsContact C-N 3.32Å; M1-L3 PolarHBondContact O-N 3.06Å; M1-K4 WeakPolarHBondContact O-CB 3.34Å; M1-K4 PolarHBondContact O-N 3.31Å; M1-L5 PolarHBondContact O-N 3.4Å
2W80.7Confident87Confident206 Ų20679.3 Ų79.378%0.7837%0.368SS*.Hα-helixtrans-52.8-39.9-179.3-67.9105.1000115.6K4 L5 F6W2-K4 PolarHBondContact O-N 3.18Å; W2-L5 HydrophobicContact CE3-CD2 4.12Å; W2-L5 HydrophobicContact CZ3-CD2 4.15Å; W2-L5 PolarHBondContact O-N 2.89Å; W2-F6 PolarHBondContact O-N 3.31Å
3L82.9Confident87.3Confident96 Ų9681.4 Ų81.450%0.50338%0.382SS..Hα-helixtrans-65.9-37177-174.7134.2000112.8M1 F6 F7M1-L3 VanDerWaalsContact C-N 3.32Å; M1-L3 PolarHBondContact O-N 3.06Å; L3-F6 PolarHBondContact O-N 2.86Å; L3-F7 HydrophobicContact CD2-CD2 3.82Å; L3-F7 HydrophobicContact CD2-CE2 3.32Å; L3-F7 HydrophobicContact CD2-CZ 4.2Å; L3-F7 HydrophobicContact CG-CD2 4.33Å; L3-F7 HydrophobicContact CG-CE2 3.91Å; L3-F7 HydrophobicContact CG-CZ 4.44Å; L3-F7 WeakPolarHBondContact O-CD2 3.46Å; L3-F7 PolarHBondContact O-N 2.96Å
4K85.3Confident87.6Confident26 Ų2679.7 Ų79.711%0.11338%0.38CS..Hα-helixtrans-66.8-43173.8-59.7-177.5-177.7178.90111.1M1 W2 F6 F7 L8 D341 I344 Y363M1-K4 WeakPolarHBondContact O-CB 3.34Å; M1-K4 PolarHBondContact O-N 3.31Å; W2-K4 PolarHBondContact O-N 3.18Å; K4-F6 VanDerWaalsContact C-N 3.32Å; K4-F6 PolarHBondContact O-N 2.79Å; K4-F7 PolarHBondContact O-N 3.05Å; K4-L8 WeakPolarHBondContact O-CB 3.06Å; K4-L8 PolarHBondContact O-N 3.35Å; K4-D341 WeakPolarHBondContact CE-OD1 3.32Å; K4-D341 IonicContact NZ-OD1 2.62Å; K4-D341 PolarHBondContact NZ-OD1 3.48Å; K4-D341 IonicContact NZ-OD2 2.62Å; K4-D341 PolarHBondContact NZ-OD2 3.34Å; K4-I344 HydrophobicContact CG-CD1 4.09Å; K4-Y363 PolarHBondContact NZ-OH 3.05Å
5L87.3Confident87.8Confident61 Ų6174.9 Ų74.932%0.31936%0.358SS..Hα-helixtrans-60.6-43175.5-17866.3000111M1 W2 L8 L9 M337M1-L5 PolarHBondContact O-N 3.4Å; W2-L5 HydrophobicContact CE3-CD2 4.12Å; W2-L5 HydrophobicContact CZ3-CD2 4.15Å; W2-L5 PolarHBondContact O-N 2.89Å; L5-L8 PolarHBondContact O-N 2.89Å; L5-L9 HydrophobicContact CG-CD1 4.22Å; L5-L9 WeakPolarHBondContact O-CG 3.22Å; L5-L9 PolarHBondContact O-N 3.21Å; L5-M337 HydrophobicContact CB-SD 4.46Å; L5-M337 HydrophobicContact CD1-SD 4.22Å
6F88.8Confident88Confident127 Ų12774.1 Ų74.156%0.55735%0.352SS*.Hα-helixtrans-59.8-47.2175.5175.7-97.6000112.1W2 L3 K4 L8 L9 L10W2-F6 PolarHBondContact O-N 3.31Å; L3-F6 PolarHBondContact O-N 2.86Å; K4-F6 VanDerWaalsContact C-N 3.32Å; K4-F6 PolarHBondContact O-N 2.79Å; F6-L8 VanDerWaalsContact C-N 3.3Å; F6-L8 PolarHBondContact O-N 3.2Å; F6-L9 PolarHBondContact O-N 3.29Å; F6-L10 WeakPolarHBondContact O-CB 3.2Å; F6-L10 PolarHBondContact O-N 3Å
7F88.8Confident88.1Confident42 Ų4274.7 Ų74.718%0.18436%0.362CS..Hα-helixtrans-65.2-32.6177.1-72-41.8000113.6L3 K4 Y11 H427 I431L3-F7 HydrophobicContact CD2-CD2 3.82Å; L3-F7 HydrophobicContact CD2-CE2 3.32Å; L3-F7 HydrophobicContact CD2-CZ 4.2Å; L3-F7 HydrophobicContact CG-CD2 4.33Å; L3-F7 HydrophobicContact CG-CE2 3.91Å; L3-F7 HydrophobicContact CG-CZ 4.44Å; L3-F7 WeakPolarHBondContact O-CD2 3.46Å; L3-F7 PolarHBondContact O-N 2.96Å; K4-F7 PolarHBondContact O-N 3.05Å; F7-Y11 WeakPolarHBondContact O-CB 3.35Å; F7-Y11 PolarHBondContact O-N 3.47Å; F7-H427 PolarHBondContact O-NE2 3.43Å; F7-I431 HydrophobicContact CB-CD1 3.87Å; F7-I431 HydrophobicContact CD1-CD1 4.21Å; F7-I431 HydrophobicContact CD1-CG1 4.46Å; F7-I431 HydrophobicContact CD2-CD1 4.25Å; F7-I431 HydrophobicContact CD2-CG2 4.43Å; F7-I431 HydrophobicContact CE2-CG2 4.15Å; F7-I431 HydrophobicContact CG-CD1 3.89Å; F7-I431 HydrophobicContact CZ-CG2 4.46Å
8L90.5Very high88.1Confident4 Ų473.7 Ų73.72%0.02136%0.358CS..Hα-helixtrans-70.5-41.5174.1-174.967.6000111.7K4 L5 F6 L10 Y11 F12 L333 L336 M337K4-L8 WeakPolarHBondContact O-CB 3.06Å; K4-L8 PolarHBondContact O-N 3.35Å; L5-L8 PolarHBondContact O-N 2.89Å; F6-L8 VanDerWaalsContact C-N 3.3Å; F6-L8 PolarHBondContact O-N 3.2Å; L8-L10 VanDerWaalsContact C-N 3.34Å; L8-Y11 HydrophobicContact CD1-CD1 4.42Å; L8-Y11 WeakPolarHBondContact O-CB 3.32Å; L8-Y11 PolarHBondContact O-N 3.48Å; L8-F12 HydrophobicContact CD1-CE2 3.93Å; L8-F12 HydrophobicContact CD1-CZ 4.21Å; L8-F12 HydrophobicContact CD2-CE2 4.07Å; L8-F12 HydrophobicContact CG-CD2 4.18Å; L8-F12 HydrophobicContact CG-CE2 3.64Å; L8-F12 HydrophobicContact CG-CZ 4.38Å; L8-F12 WeakPolarHBondContact O-CD2 3.44Å; L8-F12 PolarHBondContact O-N 2.84Å; L8-L333 HydrophobicContact CD2-CD2 4.21Å; L8-L336 HydrophobicContact CD1-CB 4.05Å; L8-M337 HydrophobicContact CD2-CG 3.66Å
9L91.1Very high88Confident103 Ų10370.1 Ų70.154%0.53934%0.341SS..Hα-helixtrans-64.2-40.8174-71.9173.2000111.5L5 F6 Y11 F12 L13L5-L9 HydrophobicContact CG-CD1 4.22Å; L5-L9 WeakPolarHBondContact O-CG 3.22Å; L5-L9 PolarHBondContact O-N 3.21Å; F6-L9 PolarHBondContact O-N 3.29Å; L9-Y11 VanDerWaalsContact C-N 3.29Å; L9-Y11 PolarHBondContact O-N 3.07Å; L9-F12 PolarHBondContact O-N 2.82Å; L9-L13 PolarHBondContact O-N 3.47Å
10L91.9Very high88Confident69 Ų6969.5 Ų69.536%0.36134%0.335SS..Hα-helixtrans-60.4-41173.1-177.166000111.2F6 L8 L13 V14F6-L10 WeakPolarHBondContact O-CB 3.2Å; F6-L10 PolarHBondContact O-N 3Å; L8-L10 VanDerWaalsContact C-N 3.34Å; L10-L13 PolarHBondContact O-N 3.22Å; L10-V14 WeakPolarHBondContact O-CG2 3.35Å; L10-V14 PolarHBondContact O-N 3.11Å
11Y93Very high88Confident2 Ų272 Ų721%0.00835%0.345CS..Hα-helixtrans-59-48.4174.8174.1-114.9000112.1F7 L8 L9 L13 V14 L15 F420 T423 Y424 H427F7-Y11 WeakPolarHBondContact O-CB 3.35Å; F7-Y11 PolarHBondContact O-N 3.47Å; L8-Y11 HydrophobicContact CD1-CD1 4.42Å; L8-Y11 WeakPolarHBondContact O-CB 3.32Å; L8-Y11 PolarHBondContact O-N 3.48Å; L9-Y11 VanDerWaalsContact C-N 3.29Å; L9-Y11 PolarHBondContact O-N 3.07Å; Y11-L13 VanDerWaalsContact C-N 3.3Å; Y11-L13 PolarHBondContact O-N 3.42Å; Y11-V14 PolarHBondContact O-N 3.05Å; Y11-V14 VanDerWaalsContact O-N 3.17Å; Y11-L15 HydrophobicContact CD1-CD1 4.12Å; Y11-L15 HydrophobicContact CD1-CG 4.5Å; Y11-L15 HydrophobicContact CD2-CG 4.34Å; Y11-L15 HydrophobicContact CE1-CD1 3.43Å; Y11-L15 VanDerWaalsContact CE1-CD1 3.43Å; Y11-L15 HydrophobicContact CE1-CG 4.02Å; Y11-L15 HydrophobicContact CE2-CD1 4.15Å; Y11-L15 HydrophobicContact CE2-CD2 3.98Å; Y11-L15 HydrophobicContact CE2-CG 3.84Å; Y11-L15 VanDerWaalsContact CZ-CD1 3.44Å; Y11-L15 PolarHBondContact O-N 3.07Å; Y11-F420 AromaticContact CE1-CE2 3.92Å; Y11-F420 HydrophobicContact CE1-CE2 3.92Å; Y11-F420 HydrophobicContact CE1-CZ 4.13Å; Y11-F420 PolarHBondContact OH-O 3.45Å; Y11-T423 PolarHBondContact OH-OG1 3.3Å; Y11-T423 VanDerWaalsContact OH-OG1 3.05Å; Y11-Y424 HydrophobicContact CD1-CD2 4.07Å; Y11-Y424 AromaticContact CE1-CD2 3.69Å; Y11-Y424 HydrophobicContact CE1-CD2 3.69Å; Y11-Y424 HydrophobicContact CE2-CD2 4.32Å; Y11-Y424 AromaticContact CZ-CD2 3.83Å; Y11-Y424 WeakPolarHBondContact OH-CB 3.48Å; Y11-Y424 PolarHBondContact OH-N 3.4Å; Y11-H427 HydrophobicContact CD2-CB 3.7Å; Y11-H427 AromaticContact CD2-CD2 3.81Å; Y11-H427 AromaticContact CD2-CG 3.72Å; Y11-H427 HydrophobicContact CE2-CB 4.15Å; Y11-H427 AromaticContact CG-CD2 3.99Å
12F91.9Very high88.5Confident62 Ų6269.5 Ų69.527%0.27233%0.33SS..Hα-helixtrans-62.9-36.6177.7-70.1-55.7000112.6L8 L9 L15 F16 L333 L336L8-F12 HydrophobicContact CD1-CE2 3.93Å; L8-F12 HydrophobicContact CD1-CZ 4.21Å; L8-F12 HydrophobicContact CD2-CE2 4.07Å; L8-F12 HydrophobicContact CG-CD2 4.18Å; L8-F12 HydrophobicContact CG-CE2 3.64Å; L8-F12 HydrophobicContact CG-CZ 4.38Å; L8-F12 WeakPolarHBondContact O-CD2 3.44Å; L8-F12 PolarHBondContact O-N 2.84Å; L9-F12 PolarHBondContact O-N 2.82Å; F12-L15 HydrophobicContact CD1-CD1 4.26Å; F12-L15 PolarHBondContact O-N 2.98Å; F12-F16 WeakPolarHBondContact O-CB 3.45Å; F12-F16 PolarHBondContact O-N 3.46Å; F12-L333 HydrophobicContact CE2-CD2 3.78Å; F12-L333 HydrophobicContact CZ-CD2 3.88Å; F12-L336 HydrophobicContact CZ-CD1 4.22Å
13L91.4Very high88.5Confident107 Ų10763.2 Ų63.256%0.5631%0.309SS*.Hα-helixtrans-63.9-44173.4-170.7155.8000111.3L9 L10 Y11 F16 V17L9-L13 PolarHBondContact O-N 3.47Å; L10-L13 PolarHBondContact O-N 3.22Å; Y11-L13 VanDerWaalsContact C-N 3.3Å; Y11-L13 PolarHBondContact O-N 3.42Å; L13-F16 WeakPolarHBondContact O-CB 3.48Å; L13-F16 PolarHBondContact O-N 3.36Å; L13-V17 HydrophobicContact CD2-CG2 4.1Å; L13-V17 WeakPolarHBondContact O-CG2 3.21Å; L13-V17 PolarHBondContact O-N 2.99Å
14V90.8Very high88.6Confident58 Ų5861 Ų6135%0.35231%0.305SS..Hα-helixtrans-61.9-43.7175.6170.60000111.1L10 Y11 F16 V17 L18L10-V14 WeakPolarHBondContact O-CG2 3.35Å; L10-V14 PolarHBondContact O-N 3.11Å; Y11-V14 PolarHBondContact O-N 3.05Å; Y11-V14 VanDerWaalsContact O-N 3.17Å; V14-F16 VanDerWaalsContact C-N 3.31Å; V14-F16 PolarHBondContact O-N 2.85Å; V14-V17 PolarHBondContact O-N 3.19Å; V14-L18 HydrophobicContact CG1-CD1 3.84Å; V14-L18 HydrophobicContact CG1-CG 4.19Å; V14-L18 WeakPolarHBondContact O-CB 3.02Å; V14-L18 VanDerWaalsContact O-CG 3.29Å; V14-L18 WeakPolarHBondContact O-CG 3.35Å; V14-L18 PolarHBondContact O-N 2.81Å
15L90.8Very high88.5Confident8 Ų862.6 Ų62.64%0.04231%0.314CS..Hα-helixtrans-59.5-42.1175.4-77.8-175.7000112.6Y11 F12 L18 A19 Y413 F420 T423Y11-L15 HydrophobicContact CD1-CD1 4.12Å; Y11-L15 HydrophobicContact CD1-CG 4.5Å; Y11-L15 HydrophobicContact CD2-CG 4.34Å; Y11-L15 HydrophobicContact CE1-CD1 3.43Å; Y11-L15 VanDerWaalsContact CE1-CD1 3.43Å; Y11-L15 HydrophobicContact CE1-CG 4.02Å; Y11-L15 HydrophobicContact CE2-CD1 4.15Å; Y11-L15 HydrophobicContact CE2-CD2 3.98Å; Y11-L15 HydrophobicContact CE2-CG 3.84Å; Y11-L15 VanDerWaalsContact CZ-CD1 3.44Å; Y11-L15 PolarHBondContact O-N 3.07Å; F12-L15 HydrophobicContact CD1-CD1 4.26Å; F12-L15 PolarHBondContact O-N 2.98Å; L15-L18 PolarHBondContact O-N 3.4Å; L15-A19 WeakPolarHBondContact O-CB 3.48Å; L15-A19 PolarHBondContact O-N 3.34Å; L15-Y413 HydrophobicContact CB-CE2 4.07Å; L15-Y413 HydrophobicContact CD2-CE1 3.92Å; L15-Y413 HydrophobicContact CD2-CE2 4.33Å; L15-Y413 PolarHBondContact O-OH 2.04Å; L15-F420 HydrophobicContact CD1-CD2 4.08Å; L15-F420 HydrophobicContact CD1-CE2 3.8Å; L15-T423 HydrophobicContact CD2-CG2 4.36Å
16F91.2Very high88.1Confident62 Ų6263.2 Ų63.227%0.27232%0.32SS..Hα-helixtrans-61.4-48176.4177.8-98.8000110.9F12 L13 V14 L18 A19 R20 W405 D409F12-F16 WeakPolarHBondContact O-CB 3.45Å; F12-F16 PolarHBondContact O-N 3.46Å; L13-F16 WeakPolarHBondContact O-CB 3.48Å; L13-F16 PolarHBondContact O-N 3.36Å; V14-F16 VanDerWaalsContact C-N 3.31Å; V14-F16 PolarHBondContact O-N 2.85Å; F16-L18 PolarHBondContact O-N 3.29Å; F16-A19 PolarHBondContact O-N 2.89Å; F16-R20 HydrophobicContact CE1-CG 4.4Å; F16-R20 HydrophobicContact CZ-CG 4.41Å; F16-R20 WeakPolarHBondContact O-CG 3.38Å; F16-R20 PolarHBondContact O-N 2.9Å; F16-W405 HydrophobicContact CE2-CB 4.1Å; F16-W405 HydrophobicContact CE2-CE3 4.45Å; F16-W405 AromaticContact CZ-CE3 3.97Å; F16-W405 HydrophobicContact CZ-CE3 3.97Å; F16-D409 WeakPolarHBondContact CD2-OD2 3.21Å
17V90Very high87.7Confident84 Ų8463.1 Ų63.151%0.50932%0.316SS..Hα-helixtrans-62.5-42.1177174.50000111.6L13 V14 A19 R20 F21L13-V17 HydrophobicContact CD2-CG2 4.1Å; L13-V17 WeakPolarHBondContact O-CG2 3.21Å; L13-V17 PolarHBondContact O-N 2.99Å; V14-V17 PolarHBondContact O-N 3.19Å; V17-A19 PolarHBondContact O-N 3.28Å; V17-R20 PolarHBondContact O-N 2.99Å; V17-F21 PolarHBondContact O-N 2.85Å
18L88.8Confident87.4Confident57 Ų5770.4 Ų70.430%0.29834%0.344SS..Hα-helixtrans-62.8-40.4177.2-75.4173.9000112.1V14 L15 F16 R20 F21 F22V14-L18 HydrophobicContact CG1-CD1 3.84Å; V14-L18 HydrophobicContact CG1-CG 4.19Å; V14-L18 WeakPolarHBondContact O-CB 3.02Å; V14-L18 VanDerWaalsContact O-CG 3.29Å; V14-L18 WeakPolarHBondContact O-CG 3.35Å; V14-L18 PolarHBondContact O-N 2.81Å; L15-L18 PolarHBondContact O-N 3.4Å; F16-L18 PolarHBondContact O-N 3.29Å; L18-R20 VanDerWaalsContact C-N 3.34Å; L18-R20 PolarHBondContact O-N 2.88Å; L18-F21 WeakPolarHBondContact O-CB 3.04Å; L18-F21 PolarHBondContact O-N 2.87Å; L18-F22 HydrophobicContact CB-CE2 4.38Å; L18-F22 WeakPolarHBondContact O-CD2 3.4Å; L18-F22 PolarHBondContact O-N 2.83Å
19A86.1Confident86.9Confident5 Ų577.5 Ų77.54%0.04138%0.377CS..Hα-helixtrans-61.5-44.317700000111.3L15 F16 V17 F21 F22 E23 D409 Y413L15-A19 WeakPolarHBondContact O-CB 3.48Å; L15-A19 PolarHBondContact O-N 3.34Å; F16-A19 PolarHBondContact O-N 2.89Å; V17-A19 PolarHBondContact O-N 3.28Å; A19-F21 VanDerWaalsContact C-N 3.31Å; A19-F21 PolarHBondContact O-N 3.16Å; A19-F22 PolarHBondContact O-N 3.06Å; A19-E23 PolarHBondContact O-N 3.15Å; A19-D409 HydrophobicContact CB-CB 4.45Å; A19-D409 VanDerWaalsContact CB-OD1 3.29Å; A19-D409 WeakPolarHBondContact CB-OD1 3.36Å; A19-Y413 HydrophobicContact CB-CE2 4.11Å
20R87.6Confident86.1Confident57 Ų5776.5 Ų76.522%0.21538%0.375CS..Hα-helixtrans-63.8-36.9174.9-60.7-56.3102.6-177.51.3112.3F16 V17 L18 E23 A24 D409F16-R20 HydrophobicContact CE1-CG 4.4Å; F16-R20 HydrophobicContact CZ-CG 4.41Å; F16-R20 WeakPolarHBondContact O-CG 3.38Å; F16-R20 PolarHBondContact O-N 2.9Å; V17-R20 PolarHBondContact O-N 2.99Å; L18-R20 VanDerWaalsContact C-N 3.34Å; L18-R20 PolarHBondContact O-N 2.88Å; R20-E23 IonicContact CZ-OE1 3.26Å; R20-E23 IonicContact CZ-OE2 2.83Å; R20-E23 IonicContact NE-OE2 3.03Å; R20-E23 VanDerWaalsContact NH1-CD 3.28Å; R20-E23 IonicContact NH1-OE1 2.67Å; R20-E23 PolarHBondContact NH1-OE1 3.22Å; R20-E23 IonicContact NH1-OE2 2.67Å; R20-E23 PolarHBondContact NH1-OE2 3.45Å; R20-E23 IonicContact NH2-OE1 3.83Å; R20-E23 PolarHBondContact NH2-OE1 2.87Å; R20-E23 IonicContact NH2-OE2 3.3Å; R20-E23 PolarHBondContact O-N 2.95Å; R20-A24 WeakPolarHBondContact O-CB 3.17Å; R20-A24 PolarHBondContact O-N 3.37Å; R20-D409 IonicContact CZ-OD1 2.92Å; R20-D409 IonicContact NE-OD1 3.62Å; R20-D409 IonicContact NE-OD2 2.68Å; R20-D409 IonicContact NH2-OD1 3.73Å; R20-D409 PolarHBondContact NH2-OD1 3.43Å; R20-D409 IonicContact NH2-OD2 2.76Å
21F87Confident85Confident124 Ų12475.6 Ų75.654%0.54438%0.382SS..Hα-helixtrans-66-42.6175.5-177.2-106.6000112V17 L18 A19 A24 I25V17-F21 PolarHBondContact O-N 2.85Å; L18-F21 WeakPolarHBondContact O-CB 3.04Å; L18-F21 PolarHBondContact O-N 2.87Å; A19-F21 VanDerWaalsContact C-N 3.31Å; A19-F21 PolarHBondContact O-N 3.16Å; F21-A24 WeakPolarHBondContact O-CB 3.48Å; F21-A24 PolarHBondContact O-N 3.49Å; F21-I25 HydrophobicContact CD1-CD1 3.61Å; F21-I25 HydrophobicContact CD1-CG1 4.45Å; F21-I25 HydrophobicContact CE1-CD1 3.2Å; F21-I25 HydrophobicContact CE1-CG1 4.14Å; F21-I25 HydrophobicContact CE2-CD1 4.46Å; F21-I25 HydrophobicContact CG-CD1 4.41Å; F21-I25 HydrophobicContact CZ-CD1 3.68Å; F21-I25 HydrophobicContact CZ-CG1 4.22Å; F21-I25 WeakPolarHBondContact O-CG1 3.5Å; F21-I25 PolarHBondContact O-N 3.13Å
22F83.3Confident83.8Confident100 Ų10078.8 Ų78.844%0.43940%0.399SS..Hα-helixtrans-63.5-43.1174.2-75.2-59.2000112.1L18 A19 A24 I25 V26L18-F22 HydrophobicContact CB-CE2 4.38Å; L18-F22 WeakPolarHBondContact O-CD2 3.4Å; L18-F22 PolarHBondContact O-N 2.83Å; A19-F22 PolarHBondContact O-N 3.06Å; F22-A24 VanDerWaalsContact C-N 3.28Å; F22-A24 PolarHBondContact O-N 3.12Å; F22-I25 PolarHBondContact O-N 2.82Å; F22-V26 WeakPolarHBondContact O-CG2 3.18Å; F22-V26 PolarHBondContact O-N 3.13Å
23E80.8Confident82.4Confident74 Ų7480.2 Ų80.235%0.34641%0.405SS..Hα-helixtrans-58-41.9172.9-76.2-178.7178.500111.6A19 R20 V26 W27A19-E23 PolarHBondContact O-N 3.15Å; R20-E23 IonicContact CZ-OE1 3.26Å; R20-E23 IonicContact CZ-OE2 2.83Å; R20-E23 IonicContact NE-OE2 3.03Å; R20-E23 VanDerWaalsContact NH1-CD 3.28Å; R20-E23 IonicContact NH1-OE1 2.67Å; R20-E23 PolarHBondContact NH1-OE1 3.22Å; R20-E23 IonicContact NH1-OE2 2.67Å; R20-E23 PolarHBondContact NH1-OE2 3.45Å; R20-E23 IonicContact NH2-OE1 3.83Å; R20-E23 PolarHBondContact NH2-OE1 2.87Å; R20-E23 IonicContact NH2-OE2 3.3Å; R20-E23 PolarHBondContact O-N 2.95Å; E23-V26 PolarHBondContact O-N 3.01Å; E23-W27 VanDerWaalsContact O-CB 3.29Å; E23-W27 WeakPolarHBondContact O-CB 3.45Å; E23-W27 PolarHBondContact O-N 3.39Å
24A84.5Confident80.9Confident49 Ų4977.6 Ų77.641%0.40540%0.399SS..Hα-helixtrans-65.9-38177.500000112.9R20 F21 F22 Y28R20-A24 WeakPolarHBondContact O-CB 3.17Å; R20-A24 PolarHBondContact O-N 3.37Å; F21-A24 WeakPolarHBondContact O-CB 3.48Å; F21-A24 PolarHBondContact O-N 3.49Å; F22-A24 VanDerWaalsContact C-N 3.28Å; F22-A24 PolarHBondContact O-N 3.12Å; A24-Y28 WeakPolarHBondContact O-CB 3.44Å; A24-Y28 PolarHBondContact O-N 3.11Å
25I83.6Confident79.5Confident60 Ų6077 Ų7731%0.30840%0.397SS..Hα-helixtrans-65.5-49.4174-70165.9000110.7F21 F22 W27 Y28 E29F21-I25 HydrophobicContact CD1-CD1 3.61Å; F21-I25 HydrophobicContact CD1-CG1 4.45Å; F21-I25 HydrophobicContact CE1-CD1 3.2Å; F21-I25 HydrophobicContact CE1-CG1 4.14Å; F21-I25 HydrophobicContact CE2-CD1 4.46Å; F21-I25 HydrophobicContact CG-CD1 4.41Å; F21-I25 HydrophobicContact CZ-CD1 3.68Å; F21-I25 HydrophobicContact CZ-CG1 4.22Å; F21-I25 WeakPolarHBondContact O-CG1 3.5Å; F21-I25 PolarHBondContact O-N 3.13Å; F22-I25 PolarHBondContact O-N 2.82Å; I25-W27 PolarHBondContact O-N 3.37Å; I25-Y28 WeakPolarHBondContact O-CA 3.43Å; I25-Y28 WeakPolarHBondContact O-CB 3.37Å; I25-Y28 PolarHBondContact O-N 2.81Å; I25-E29 HydrophobicContact CG2-CG 4.42Å; I25-E29 PolarHBondContact O-N 2.76Å
26V78.2Confident78.5Confident74 Ų7480.7 Ų80.745%0.44841%0.414SS..Hα-helixtrans-58.4-42179.21710000109.8F22 E23 E29 T30F22-V26 WeakPolarHBondContact O-CG2 3.18Å; F22-V26 PolarHBondContact O-N 3.13Å; E23-V26 PolarHBondContact O-N 3.01Å; V26-E29 PolarHBondContact O-N 3.13Å; V26-T30 HydrophobicContact CG1-CG2 4.41Å; V26-T30 WeakPolarHBondContact O-CB 3.47Å; V26-T30 PolarHBondContact O-N 2.81Å; V26-T30 PolarHBondContact O-OG1 3.33Å
27W79.8Confident77.4Confident124 Ų12483.1 Ų83.147%0.4743%0.43SS..Hα-helixtrans-62.1-42174.1176.370.3000112.6E23 I25 G31 F33E23-W27 VanDerWaalsContact O-CB 3.29Å; E23-W27 WeakPolarHBondContact O-CB 3.45Å; E23-W27 PolarHBondContact O-N 3.39Å; I25-W27 PolarHBondContact O-N 3.37Å; W27-G31 WeakPolarHBondContact O-CA 3.31Å; W27-G31 PolarHBondContact O-N 2.83Å; W27-F33 HydrophobicContact CB-CD1 4.32Å; W27-F33 HydrophobicContact CB-CE1 3.93Å; W27-F33 HydrophobicContact CB-CZ 4.24Å; W27-F33 AromaticContact CD1-CD2 3.66Å; W27-F33 AromaticContact CD1-CE1 3.76Å; W27-F33 AromaticContact CD1-CE2 3.25Å; W27-F33 AromaticContact CD1-CZ 3.3Å; W27-F33 HydrophobicContact CD2-CE1 4.43Å; W27-F33 HydrophobicContact CD2-CE2 4.43Å; W27-F33 AromaticContact CD2-CZ 3.91Å; W27-F33 HydrophobicContact CD2-CZ 3.91Å; W27-F33 AromaticContact CE2-CZ 3.87Å; W27-F33 HydrophobicContact CG-CD1 4.35Å; W27-F33 AromaticContact CG-CE1 3.75Å; W27-F33 HydrophobicContact CG-CE1 3.75Å; W27-F33 AromaticContact CG-CE2 3.99Å; W27-F33 HydrophobicContact CG-CE2 3.99Å; W27-F33 AromaticContact CG-CZ 3.54Å; W27-F33 HydrophobicContact CG-CZ 3.54Å; W27-F33 AromaticContact NE1-CD2 3.99Å; W27-F33 AromaticContact NE1-CE2 3.26Å; W27-F33 VanDerWaalsContact NE1-CE2 3.26Å; W27-F33 AromaticContact NE1-CZ 3.51Å
28Y83.6Confident76.7Confident196 Ų19680.2 Ų80.277%0.76941%0.412SS*.Hα-helixtrans-63.6-40.6177.4-177.2-99.1000112.8A24 I25A24-Y28 WeakPolarHBondContact O-CB 3.44Å; A24-Y28 PolarHBondContact O-N 3.11Å; I25-Y28 WeakPolarHBondContact O-CA 3.43Å; I25-Y28 WeakPolarHBondContact O-CB 3.37Å; I25-Y28 PolarHBondContact O-N 2.81Å
29E79.4Confident75.9Confident152 Ų15281.9 Ų81.971%0.7142%0.421SS*.Hα-helixtrans-80.1-41.9-177.8-69.4-173.8167.800113.3I25 V26I25-E29 HydrophobicContact CG2-CG 4.42Å; I25-E29 PolarHBondContact O-N 2.76Å; V26-E29 PolarHBondContact O-N 3.13Å
30T73.7Confident75.4Confident82 Ų8282.4 Ų82.450%0.50342%0.424SS..Hα-helixtrans-101.5-18.1-17267.10000113.4V26 I32V26-T30 HydrophobicContact CG1-CG2 4.41Å; V26-T30 WeakPolarHBondContact O-CB 3.47Å; V26-T30 PolarHBondContact O-N 2.81Å; V26-T30 PolarHBondContact O-OG1 3.33Å; T30-I32 PolarHBondContact O-N 2.77Å; T30-I32 PolarHBondContact OG1-N 2.84Å; T30-I32 PolarHBondContact OG1-O 3.06Å
31G69.9Low74.9Confident50 Ų5082.9 Ų82.952%0.51543%0.433SS..SBendtrans70.36-17100000114.2W27W27-G31 WeakPolarHBondContact O-CA 3.31Å; W27-G31 PolarHBondContact O-N 2.83Å
32I67.3Low74.5Confident70 Ų7081.1 Ų81.136%0.35944%0.442SS..  trans-120.4134.4-169.6-63.6169000110.8T30 Q36 E80T30-I32 PolarHBondContact O-N 2.77Å; T30-I32 PolarHBondContact OG1-N 2.84Å; T30-I32 PolarHBondContact OG1-O 3.06Å; I32-Q36 VanDerWaalsContact CA-OE1 3.25Å; I32-Q36 HydrophobicContact CG2-CB 4.14Å; I32-E80 HydrophobicContact CG2-CG 4.39Å
33F63.3Low74.5Confident92 Ų9277 Ų7740%0.40442%0.424SS..  trans-90.3148.2170.2-72.8-74.5000110.9W27 S35 Q36W27-F33 HydrophobicContact CB-CD1 4.32Å; W27-F33 HydrophobicContact CB-CE1 3.93Å; W27-F33 HydrophobicContact CB-CZ 4.24Å; W27-F33 AromaticContact CD1-CD2 3.66Å; W27-F33 AromaticContact CD1-CE1 3.76Å; W27-F33 AromaticContact CD1-CE2 3.25Å; W27-F33 AromaticContact CD1-CZ 3.3Å; W27-F33 HydrophobicContact CD2-CE1 4.43Å; W27-F33 HydrophobicContact CD2-CE2 4.43Å; W27-F33 AromaticContact CD2-CZ 3.91Å; W27-F33 HydrophobicContact CD2-CZ 3.91Å; W27-F33 AromaticContact CE2-CZ 3.87Å; W27-F33 HydrophobicContact CG-CD1 4.35Å; W27-F33 AromaticContact CG-CE1 3.75Å; W27-F33 HydrophobicContact CG-CE1 3.75Å; W27-F33 AromaticContact CG-CE2 3.99Å; W27-F33 HydrophobicContact CG-CE2 3.99Å; W27-F33 AromaticContact CG-CZ 3.54Å; W27-F33 HydrophobicContact CG-CZ 3.54Å; W27-F33 AromaticContact NE1-CD2 3.99Å; W27-F33 AromaticContact NE1-CE2 3.26Å; W27-F33 VanDerWaalsContact NE1-CE2 3.26Å; W27-F33 AromaticContact NE1-CZ 3.51Å; F33-S35 PolarHBondContact O-N 3.3Å; F33-S35 VanDerWaalsContact O-N 3.13Å; F33-Q36 HydrophobicContact CB-CB 4.4Å; F33-Q36 WeakPolarHBondContact O-CB 3.26Å; F33-Q36 PolarHBondContact O-N 2.78Å
34A59.6Low74.7Confident52 Ų5276.3 Ų76.343%0.4343%0.428SS..THydrogen-bonded Turntrans-60.1-23.2171.300000113G81A34-G81 PolarHBondContact O-N 3.45Å
35S61.8Low74.7Confident45 Ų4578 Ų7832%0.31543%0.426SS..THydrogen-bonded Turntrans-89.95.5173.261.50000113.9F33F33-S35 PolarHBondContact O-N 3.3Å; F33-S35 VanDerWaalsContact O-N 3.13Å
36Q68.8Low74.8Confident85 Ų8581.8 Ų81.840%0.39744%0.44SS..PPolyproline II helixtrans-71.7136.5177.7-173.9168.1-11.900110.1I32 F33 V38 E80I32-Q36 VanDerWaalsContact CA-OE1 3.25Å; I32-Q36 HydrophobicContact CG2-CB 4.14Å; F33-Q36 HydrophobicContact CB-CB 4.4Å; F33-Q36 WeakPolarHBondContact O-CB 3.26Å; F33-Q36 PolarHBondContact O-N 2.78Å; Q36-V38 PolarHBondContact O-N 3.3Å; Q36-E80 PolarHBondContact O-N 2.98Å; Q36-E80 VanDerWaalsContact O-N 3.12Å
37L69Low75.2Confident114 Ų11482.1 Ų82.160%0.59744%0.436SS*.BIsolated β-bridgetrans-67.1129.2172.3-70.8167.8000109.5D77 M79L37-D77 HydrophobicContact CD2-CB 3.79Å; L37-M79 HydrophobicContact CD2-CG 4.36Å
38V74.6Confident75.5Confident23 Ų2376.2 Ų76.214%0.13941%0.413CS..PPolyproline II helixtrans-100.1124.6178.6-175.40000108.3Q36 P40 L43 L78 E80Q36-V38 PolarHBondContact O-N 3.3Å; V38-P40 VanDerWaalsContact O-CD 3.31Å; V38-P40 WeakPolarHBondContact O-CD 3.48Å; V38-L43 HydrophobicContact CG1-CD1 3.97Å; V38-L43 HydrophobicContact CG1-CD2 4.2Å; V38-L43 HydrophobicContact CG1-CG 4.14Å; V38-L78 HydrophobicContact CB-CD2 4.13Å; V38-L78 HydrophobicContact CB-CG 4.21Å; V38-L78 HydrophobicContact CG1-CD2 4.3Å; V38-L78 PolarHBondContact N-O 3.29Å; V38-E80 HydrophobicContact CG2-CB 3.78Å; V38-E80 HydrophobicContact CG2-CG 4.48Å; V38-E80 WeakPolarHBondContact CG2-OE2 3.35Å
39D72.5Confident75.6Confident91 Ų9170.4 Ų70.449%0.48739%0.392SS..PPolyproline II helixtrans-70.1118.7174.6-173.3-8.1000110.1V41 A42D39-V41 PolarHBondContact O-N 2.88Å; D39-V41 VanDerWaalsContact O-N 3.13Å; D39-V41 WeakPolarHBondContact OD1-CB 3.36Å; D39-V41 WeakPolarHBondContact OD1-CG2 3.14Å; D39-V41 PolarHBondContact OD1-N 3.11Å; D39-V41 WeakPolarHBondContact OD2-CG2 3.3Å; D39-A42 PolarHBondContact O-N 3.25Å
40P75.8Confident75.9Confident17 Ų1763.3 Ų63.311%0.1136%0.359CS..THydrogen-bonded Turntrans-63.4-16.5178.927.4-36.6000113.6V38 A42 L43 L48 R69 E73V38-P40 VanDerWaalsContact O-CD 3.31Å; V38-P40 WeakPolarHBondContact O-CD 3.48Å; P40-A42 VanDerWaalsContact C-N 3.3Å; P40-A42 PolarHBondContact O-N 2.9Å; P40-L43 PolarHBondContact O-N 2.8Å; P40-L48 HydrophobicContact CB-CD2 4.03Å; P40-R69 HydrophobicContact CB-CG 4.23Å; P40-R69 HydrophobicContact CG-CG 4.42Å; P40-E73 HydrophobicContact CG-CG 3.93Å; P40-E73 WeakPolarHBondContact CG-OE1 3.48Å
41V75.7Confident76.5Confident66 Ų6659.4 Ų59.440%0.434%0.335SS..THydrogen-bonded Turntrans-59.5-43.9174.3-173.40000111D39 L43 K65D39-V41 PolarHBondContact O-N 2.88Å; D39-V41 VanDerWaalsContact O-N 3.13Å; D39-V41 WeakPolarHBondContact OD1-CB 3.36Å; D39-V41 WeakPolarHBondContact OD1-CG2 3.14Å; D39-V41 PolarHBondContact OD1-N 3.11Å; D39-V41 WeakPolarHBondContact OD2-CG2 3.3Å; V41-L43 PolarHBondContact O-N 2.9Å; V41-K65 PolarHBondContact O-NZ 2.86Å; V41-K65 VanDerWaalsContact O-NZ 3.08Å
42A80Confident77.2Confident88 Ų8857 Ų5773%0.72731%0.31SS*.SBendtrans-73-17-171.500000112.9D39 P40D39-A42 PolarHBondContact O-N 3.25Å; P40-A42 VanDerWaalsContact C-N 3.3Å; P40-A42 PolarHBondContact O-N 2.9Å
43L82.4Confident78Confident14 Ų1455.1 Ų55.17%0.07330%0.3CS..SBendtrans-82.9147.5-175.1-66.3175.3000113V38 P40 V41 K47 L48 I51 K65 L78 L83V38-L43 HydrophobicContact CG1-CD1 3.97Å; V38-L43 HydrophobicContact CG1-CD2 4.2Å; V38-L43 HydrophobicContact CG1-CG 4.14Å; P40-L43 PolarHBondContact O-N 2.8Å; V41-L43 PolarHBondContact O-N 2.9Å; L43-K47 HydrophobicContact CB-CB 4.42Å; L43-K47 HydrophobicContact CD2-CD 3.93Å; L43-L48 HydrophobicContact CB-CD2 4.11Å; L43-L48 HydrophobicContact CB-CG 4.14Å; L43-L48 HydrophobicContact CD1-CD2 4.18Å; L43-I51 HydrophobicContact CD1-CD1 4.06Å; L43-K65 VanDerWaalsContact O-CE 3.28Å; L43-K65 WeakPolarHBondContact O-CE 3.46Å; L43-K65 PolarHBondContact O-NZ 3.16Å; L43-L78 HydrophobicContact CD1-CD2 3.27Å; L43-L83 HydrophobicContact CD2-CD2 3.79Å
44S85.3Confident78.9Confident59 Ų5951.8 Ų51.841%0.41329%0.288SS..  trans-67.7153.3172.375.70000111.1K46 K47 L48S44-K46 PolarHBondContact O-N 3.02Å; S44-K47 PolarHBondContact O-N 3.12Å; S44-K47 WeakPolarHBondContact OG-CG 3.47Å; S44-K47 PolarHBondContact OG-N 3.31Å; S44-L48 PolarHBondContact O-N 2.89Å; S44-L48 VanDerWaalsContact O-N 3.08Å
45F85.2Confident80.1Confident83 Ų8349.4 Ų49.436%0.36427%0.268SS..Hα-helixtrans-55.5-38.7176.3-178-103.2000112.5K47 L48 K49 K65 V68F45-K47 PolarHBondContact O-N 3.45Å; F45-L48 PolarHBondContact O-N 3.38Å; F45-K49 WeakPolarHBondContact O-CB 3.39Å; F45-K49 PolarHBondContact O-N 2.88Å; F45-K65 HydrophobicContact CD2-CB 3.81Å; F45-K65 HydrophobicContact CD2-CG 4.12Å; F45-K65 HydrophobicContact CE2-CB 4.45Å; F45-V68 HydrophobicContact CE2-CB 4.03Å; F45-V68 HydrophobicContact CE2-CG1 4.31Å; F45-V68 HydrophobicContact CE2-CG2 3.64Å; F45-V68 HydrophobicContact CZ-CG2 4.14Å
46K84.7Confident81Confident140 Ų14047.5 Ų47.561%0.60926%0.255SS*.Hα-helixtrans-60.9-45.2176.4-171.1-176.1175.3-167.30111.4S44 K49 T50S44-K46 PolarHBondContact O-N 3.02Å; K46-K49 WeakPolarHBondContact O-CB 3.27Å; K46-K49 PolarHBondContact O-N 3.1Å; K46-T50 WeakPolarHBondContact O-CG2 3.23Å; K46-T50 PolarHBondContact O-N 2.77Å; K46-T50 PolarHBondContact O-OG1 3.1Å
47K86.5Confident81.6Confident82 Ų8244.2 Ų44.236%0.35724%0.24SC..Hα-helixtrans-64.9-38.3178.2-72-176.4177.8-169.10112.6L43 S44 F45 K49 T50 I51 L83L43-K47 HydrophobicContact CB-CB 4.42Å; L43-K47 HydrophobicContact CD2-CD 3.93Å; S44-K47 PolarHBondContact O-N 3.12Å; S44-K47 WeakPolarHBondContact OG-CG 3.47Å; S44-K47 PolarHBondContact OG-N 3.31Å; F45-K47 PolarHBondContact O-N 3.45Å; K47-K49 VanDerWaalsContact C-N 3.34Å; K47-T50 WeakPolarHBondContact CA-OG1 3.43Å; K47-T50 PolarHBondContact O-N 3.05Å; K47-T50 PolarHBondContact O-OG1 3.09Å; K47-I51 WeakPolarHBondContact O-CD1 3.33Å; K47-I51 VanDerWaalsContact O-CG1 3.3Å; K47-I51 WeakPolarHBondContact O-CG1 3.23Å; K47-I51 PolarHBondContact O-N 3.37Å; K47-I51 VanDerWaalsContact O-N 3.16Å; K47-L83 HydrophobicContact CB-CD1 4.37Å; K47-L83 HydrophobicContact CD-CD1 4.35Å
48L87.1Confident81.9Confident0 Ų040.8 Ų40.80%023%0.233CC..Hα-helixtrans-65.3-40.7175.7-67.7170.7000111.5P40 L43 S44 F45 T50 I51 L52 K65 V68 R69 V72P40-L48 HydrophobicContact CB-CD2 4.03Å; L43-L48 HydrophobicContact CB-CD2 4.11Å; L43-L48 HydrophobicContact CB-CG 4.14Å; L43-L48 HydrophobicContact CD1-CD2 4.18Å; S44-L48 PolarHBondContact O-N 2.89Å; S44-L48 VanDerWaalsContact O-N 3.08Å; F45-L48 PolarHBondContact O-N 3.38Å; L48-T50 PolarHBondContact O-N 2.89Å; L48-I51 PolarHBondContact O-N 3.18Å; L48-L52 PolarHBondContact O-N 2.7Å; L48-K65 HydrophobicContact CD1-CG 4.18Å; L48-V68 HydrophobicContact CB-CG1 3.87Å; L48-R69 HydrophobicContact CD1-CB 4.38Å; L48-V72 HydrophobicContact CD2-CG2 4.22Å
49K86.2Confident81.8Confident74 Ų7441 Ų4132%0.32223%0.231SC..Hα-helixtrans-60.1-45.5175.5-174.3-169.2-179.6-166.80111.7F45 K46 K47 I51 L52 E53 Y59F45-K49 WeakPolarHBondContact O-CB 3.39Å; F45-K49 PolarHBondContact O-N 2.88Å; K46-K49 WeakPolarHBondContact O-CB 3.27Å; K46-K49 PolarHBondContact O-N 3.1Å; K47-K49 VanDerWaalsContact C-N 3.34Å; K49-I51 VanDerWaalsContact C-N 3.31Å; K49-I51 PolarHBondContact O-N 3.01Å; K49-L52 PolarHBondContact O-N 3.42Å; K49-E53 VanDerWaalsContact CE-OE1 3.25Å; K49-E53 WeakPolarHBondContact CE-OE1 3.33Å; K49-E53 IonicContact NZ-OE1 3.06Å; K49-E53 WeakPolarHBondContact O-CG 3.44Å; K49-E53 PolarHBondContact O-N 3.48Å; K49-Y59 HydrophobicContact CD-CE2 4.32Å; K49-Y59 WeakPolarHBondContact CE-OH 3.46Å; K49-Y59 HydrophobicContact CG-CD1 4.47Å; K49-Y59 HydrophobicContact CG-CE1 3.91Å; K49-Y59 HydrophobicContact CG-CE2 4.11Å; K49-Y59 PolarHBondContact NZ-OH 3.02Å
50T84.3Confident81.5Confident3 Ų338.9 Ų38.92%0.01822%0.223CC..Hα-helixtrans-64.3-37.1179.953.70000111.9K46 K47 L48 E53 C54 E90K46-T50 WeakPolarHBondContact O-CG2 3.23Å; K46-T50 PolarHBondContact O-N 2.77Å; K46-T50 PolarHBondContact O-OG1 3.1Å; K47-T50 WeakPolarHBondContact CA-OG1 3.43Å; K47-T50 PolarHBondContact O-N 3.05Å; K47-T50 PolarHBondContact O-OG1 3.09Å; L48-T50 PolarHBondContact O-N 2.89Å; T50-E53 WeakPolarHBondContact O-CB 3.46Å; T50-E53 PolarHBondContact O-N 3.29Å; T50-C54 PolarHBondContact O-N 3.38Å; T50-C54 PolarHBondContact O-SG 3.35Å; T50-E90 HydrophobicContact CG2-CG 4.26Å; T50-E90 WeakPolarHBondContact CG2-OE1 3.29Å
51I86Confident81Confident0 Ų041.5 Ų41.50%025%0.254CS..Hα-helixtrans-62.8-49.4174.2-67.5159.2000110.9L43 K47 L48 K49 E53 C54 R55 L78 L83L43-I51 HydrophobicContact CD1-CD1 4.06Å; K47-I51 WeakPolarHBondContact O-CD1 3.33Å; K47-I51 VanDerWaalsContact O-CG1 3.3Å; K47-I51 WeakPolarHBondContact O-CG1 3.23Å; K47-I51 PolarHBondContact O-N 3.37Å; K47-I51 VanDerWaalsContact O-N 3.16Å; L48-I51 PolarHBondContact O-N 3.18Å; K49-I51 VanDerWaalsContact C-N 3.31Å; K49-I51 PolarHBondContact O-N 3.01Å; I51-E53 PolarHBondContact O-N 2.68Å; I51-C54 PolarHBondContact O-N 3.14Å; I51-C54 VanDerWaalsContact O-N 3.09Å; I51-R55 WeakPolarHBondContact O-CG 3.45Å; I51-R55 PolarHBondContact O-N 3.25Å; I51-L78 HydrophobicContact CD1-CD1 3.63Å; I51-L78 HydrophobicContact CD1-CD2 3.58Å; I51-L78 HydrophobicContact CD1-CG 4.27Å; I51-L78 HydrophobicContact CG1-CD1 4.14Å; I51-L78 HydrophobicContact CG2-CD1 4Å; I51-L83 HydrophobicContact CD1-CD1 4.05Å; I51-L83 HydrophobicContact CG1-CD1 4.38Å
52L85.8Confident80.9Confident0 Ų041.1 Ų41.10%025%0.249CC..Hα-helixtrans-60.9-36.3176.6-71.7-179.9000112.1L48 K49 R55 G56 L57 Y59 V68 L71 V72L48-L52 PolarHBondContact O-N 2.7Å; K49-L52 PolarHBondContact O-N 3.42Å; L52-R55 CarbonylContact O-C 3.49Å; L52-R55 PolarHBondContact O-N 3.39Å; L52-G56 PolarHBondContact O-N 2.94Å; L52-L57 HydrophobicContact CD2-CB 4.3Å; L52-L57 HydrophobicContact CD2-CD1 4.16Å; L52-L57 PolarHBondContact O-N 2.89Å; L52-Y59 HydrophobicContact CB-CD1 4.33Å; L52-Y59 HydrophobicContact CD1-CD1 4.49Å; L52-V68 HydrophobicContact CD1-CG1 3.72Å; L52-L71 HydrophobicContact CD1-CB 4.5Å; L52-L71 HydrophobicContact CD1-CD2 4.04Å; L52-L71 HydrophobicContact CD1-CG 4.48Å; L52-L71 HydrophobicContact CD2-CB 4.48Å; L52-L71 HydrophobicContact CD2-CD2 4.29Å; L52-L71 HydrophobicContact CD2-CG 4.09Å; L52-V72 HydrophobicContact CD1-CG2 4.14Å; L52-V72 HydrophobicContact CD2-CB 4.42Å; L52-V72 HydrophobicContact CD2-CG2 3.54Å; L52-V72 HydrophobicContact CG-CG2 3.57Å
53E84.5Confident80.4Confident29 Ų2942.1 Ų42.114%0.13625%0.248CC..Hα-helixtrans-65.1-38.4173.7-74.7-179.2179.300112.4K49 T50 I51 G56 Y59 F147K49-E53 VanDerWaalsContact CE-OE1 3.25Å; K49-E53 WeakPolarHBondContact CE-OE1 3.33Å; K49-E53 IonicContact NZ-OE1 3.06Å; K49-E53 WeakPolarHBondContact O-CG 3.44Å; K49-E53 PolarHBondContact O-N 3.48Å; T50-E53 WeakPolarHBondContact O-CB 3.46Å; T50-E53 PolarHBondContact O-N 3.29Å; I51-E53 PolarHBondContact O-N 2.68Å; E53-G56 PolarHBondContact O-N 2.87Å; E53-Y59 HydrophobicContact CG-CE1 3.68Å; E53-Y59 PolarHBondContact OE1-OH 3.08Å; E53-F147 VanDerWaalsContact O-CZ 3.22Å; E53-F147 WeakPolarHBondContact O-CZ 3.41Å
54C81.3Confident80.5Confident23 Ų2346.7 Ų46.716%0.15527%0.269CS..Hα-helixtrans-70.7-36.9174.2-72.40000112.2T50 I51 G56 A86 F147T50-C54 PolarHBondContact O-N 3.38Å; T50-C54 PolarHBondContact O-SG 3.35Å; I51-C54 PolarHBondContact O-N 3.14Å; I51-C54 VanDerWaalsContact O-N 3.09Å; C54-G56 PolarHBondContact O-N 2.96Å; C54-A86 HydrophobicContact CB-CB 4.41Å; C54-F147 WeakPolarHBondContact O-CE1 3.5Å
55R84.6Confident80.4Confident2 Ų247.9 Ų47.91%0.00827%0.267CS..Hα-helixtrans-71.4-13.3170.7-65.7-178.6-178.9-174.8-5.3112.3I51 L52 L57 V72 S75 G76 D77 E82 P247 F249I51-R55 WeakPolarHBondContact O-CG 3.45Å; I51-R55 PolarHBondContact O-N 3.25Å; L52-R55 CarbonylContact O-C 3.49Å; L52-R55 PolarHBondContact O-N 3.39Å; R55-L57 VanDerWaalsContact C-N 3.34Å; R55-L57 HydrophobicContact CB-CG 4.49Å; R55-L57 PolarHBondContact O-N 3.45Å; R55-V72 PolarHBondContact NH1-O 3.31Å; R55-V72 VanDerWaalsContact NH1-O 3.16Å; R55-S75 WeakPolarHBondContact CD-OG 3.34Å; R55-S75 PolarHBondContact NH1-OG 3.48Å; R55-G76 PolarHBondContact NH1-O 2.87Å; R55-G76 PolarHBondContact NH2-O 3.5Å; R55-D77 PolarHBondContact NH2-O 3.3Å; R55-E82 IonicContact CZ-OE1 3.36Å; R55-E82 VanDerWaalsContact CZ-OE1 3.3Å; R55-E82 IonicContact CZ-OE2 3.18Å; R55-E82 IonicContact NE-OE1 3.67Å; R55-E82 PolarHBondContact NE-OE1 3.45Å; R55-E82 IonicContact NE-OE2 2.75Å; R55-E82 VanDerWaalsContact NH2-CD 3.32Å; R55-E82 IonicContact NH2-OE1 2.68Å; R55-E82 PolarHBondContact NH2-OE1 3.3Å; R55-E82 VanDerWaalsContact NH2-OE1 3.11Å; R55-E82 IonicContact NH2-OE2 3.54Å; R55-E82 PolarHBondContact NH2-OE2 3.01Å; R55-P247 WeakPolarHBondContact O-CB 3.31Å; R55-F249 VanDerWaalsContact O-CD1 3.29Å; R55-F249 WeakPolarHBondContact O-CD1 3.36Å
56G80.4Confident80.4Confident4 Ų451.3 Ų51.34%0.04128%0.282CS..THydrogen-bonded Turntrans68.232.3178.100000113.9L52 E53 C54 A248L52-G56 PolarHBondContact O-N 2.94Å; E53-G56 PolarHBondContact O-N 2.87Å; C54-G56 PolarHBondContact O-N 2.96Å; G56-A248 WeakPolarHBondContact O-CB 3.32Å; G56-A248 PolarHBondContact O-N 3.34Å
57L82.8Confident80.4Confident16 Ų1647.2 Ų47.28%0.08427%0.266CS..  trans-94.9130.9172.5-66175.6000109.5L52 R55 Y59 L243 P247L52-L57 HydrophobicContact CD2-CB 4.3Å; L52-L57 HydrophobicContact CD2-CD1 4.16Å; L52-L57 PolarHBondContact O-N 2.89Å; R55-L57 VanDerWaalsContact C-N 3.34Å; R55-L57 HydrophobicContact CB-CG 4.49Å; R55-L57 PolarHBondContact O-N 3.45Å; L57-Y59 PolarHBondContact O-N 3.1Å; L57-L243 HydrophobicContact CD1-CD1 4.44Å; L57-L243 HydrophobicContact CD1-CD2 4.39Å; L57-L243 HydrophobicContact CD2-CD1 4.26Å; L57-P247 HydrophobicContact CD2-CB 4.26Å; L57-P247 HydrophobicContact CD2-CG 4.26Å
58G73.9Confident80.4Confident43 Ų4343.3 Ų43.344%0.44325%0.25SC..  trans-77.1121.3176.200000110.8
59Y72.9Confident80.4Confident27 Ų2747 Ų4711%0.10626%0.264CS..  trans-101.314.3175.556.1-90.5000112.4K49 L52 E53 L57 G61 L62 E200K49-Y59 HydrophobicContact CD-CE2 4.32Å; K49-Y59 WeakPolarHBondContact CE-OH 3.46Å; K49-Y59 HydrophobicContact CG-CD1 4.47Å; K49-Y59 HydrophobicContact CG-CE1 3.91Å; K49-Y59 HydrophobicContact CG-CE2 4.11Å; K49-Y59 PolarHBondContact NZ-OH 3.02Å; L52-Y59 HydrophobicContact CB-CD1 4.33Å; L52-Y59 HydrophobicContact CD1-CD1 4.49Å; E53-Y59 HydrophobicContact CG-CE1 3.68Å; E53-Y59 PolarHBondContact OE1-OH 3.08Å; L57-Y59 PolarHBondContact O-N 3.1Å; Y59-G61 PolarHBondContact O-N 2.83Å; Y59-G61 VanDerWaalsContact O-N 3.12Å; Y59-L62 PolarHBondContact O-N 3.44Å; Y59-L62 VanDerWaalsContact O-N 3.14Å; Y59-E200 PolarHBondContact OH-OE1 3.42Å
60S66.2Low80.4Confident46 Ų4647.9 Ų47.932%0.32227%0.269SS..THydrogen-bonded Turntrans-59.4116.5-177.162.20000111.1
61G65.8Low80.4Confident73 Ų7349.4 Ų49.475%0.75328%0.276SS*.THydrogen-bonded Turntrans100.53.7179.800000115.4Y59 P63Y59-G61 PolarHBondContact O-N 2.83Å; Y59-G61 VanDerWaalsContact O-N 3.12Å; G61-P63 WeakPolarHBondContact O-CD 3.44Å
62L73Confident80.4Confident57 Ų5749.4 Ų49.430%0.29828%0.277SS..  trans-100.294.6171.4-61.6-179000110Y59 D67 V68 L71Y59-L62 PolarHBondContact O-N 3.44Å; Y59-L62 VanDerWaalsContact O-N 3.14Å; L62-D67 HydrophobicContact CB-CB 4.09Å; L62-D67 HydrophobicContact CD1-CB 4.07Å; L62-D67 HydrophobicContact CD2-CB 3.67Å; L62-D67 HydrophobicContact CG-CB 4.13Å; L62-V68 HydrophobicContact CB-CG2 4.05Å; L62-L71 HydrophobicContact CD1-CD2 4.12Å
63P70.3Confident80.4Confident110 Ų11053.6 Ų53.671%0.71430%0.296SS*.  trans-76.9-23.4-179.930.8-34000112.5G61G61-P63 WeakPolarHBondContact O-CD 3.44Å
64E83Confident80.3Confident109 Ų10956 Ų5651%0.50931%0.306SS..SBendtrans-92142.7-173.1-60.3-164.6-176.300113K66 D67 V68E64-K66 PolarHBondContact O-N 3.41Å; E64-D67 PolarHBondContact O-N 2.69Å; E64-V68 PolarHBondContact O-N 3.45Å
65K85Confident80.3Confident84 Ų8455.1 Ų55.137%0.36530%0.3SS..Hα-helixtrans-59.3-30.6172.3179.2178.5167.9-1760111.8V41 L43 F45 L48 R69V41-K65 PolarHBondContact O-NZ 2.86Å; V41-K65 VanDerWaalsContact O-NZ 3.08Å; L43-K65 VanDerWaalsContact O-CE 3.28Å; L43-K65 WeakPolarHBondContact O-CE 3.46Å; L43-K65 PolarHBondContact O-NZ 3.16Å; F45-K65 HydrophobicContact CD2-CB 3.81Å; F45-K65 HydrophobicContact CD2-CG 4.12Å; F45-K65 HydrophobicContact CE2-CB 4.45Å; L48-K65 HydrophobicContact CD1-CG 4.18Å; K65-R69 VanDerWaalsContact O-CB 3.24Å; K65-R69 WeakPolarHBondContact O-CB 3.48Å; K65-R69 PolarHBondContact O-N 2.93Å
66K85.1Confident80.1Confident156 Ų15655.1 Ų55.168%0.67830%0.301SS*.Hα-helixtrans-64.7-48.6-179.2-69-177.9179.6177.30111.5E64 V68 R69 E70E64-K66 PolarHBondContact O-N 3.41Å; K66-V68 PolarHBondContact O-N 3.27Å; K66-R69 WeakPolarHBondContact O-CB 3.41Å; K66-R69 PolarHBondContact O-N 3.34Å; K66-E70 PolarHBondContact O-N 3.2Å
67D84.9Confident80Confident53 Ų5359.9 Ų59.928%0.28333%0.326SS..Hα-helixtrans-66.8-40.5-178.3-47.8-22.1000111.8L62 E64 R69 E70 L71L62-D67 HydrophobicContact CB-CB 4.09Å; L62-D67 HydrophobicContact CD1-CB 4.07Å; L62-D67 HydrophobicContact CD2-CB 3.67Å; L62-D67 HydrophobicContact CG-CB 4.13Å; E64-D67 PolarHBondContact O-N 2.69Å; D67-R69 VanDerWaalsContact C-N 3.29Å; D67-R69 PolarHBondContact O-N 2.93Å; D67-E70 PolarHBondContact O-N 3Å; D67-L71 PolarHBondContact O-N 2.8Å
68V85.8Confident79.9Confident1 Ų159.5 Ų59.51%0.00632%0.323CS..Hα-helixtrans-61.7-41.1174.7168.60000110.9F45 L48 L52 L62 E64 K66 L71 V72F45-V68 HydrophobicContact CE2-CB 4.03Å; F45-V68 HydrophobicContact CE2-CG1 4.31Å; F45-V68 HydrophobicContact CE2-CG2 3.64Å; F45-V68 HydrophobicContact CZ-CG2 4.14Å; L48-V68 HydrophobicContact CB-CG1 3.87Å; L52-V68 HydrophobicContact CD1-CG1 3.72Å; L62-V68 HydrophobicContact CB-CG2 4.05Å; E64-V68 PolarHBondContact O-N 3.45Å; K66-V68 PolarHBondContact O-N 3.27Å; V68-L71 PolarHBondContact O-N 3.49Å; V68-V72 WeakPolarHBondContact O-CG2 2.71Å; V68-V72 PolarHBondContact O-N 3.27Å
69R86.1Confident80.1Confident78 Ų7858.5 Ų58.529%0.29431%0.307SS..Hα-helixtrans-64.9-46.5176170.3179.5170.7-164.5-2.3111.7P40 L48 K65 K66 D67 L71 V72 E73P40-R69 HydrophobicContact CB-CG 4.23Å; P40-R69 HydrophobicContact CG-CG 4.42Å; L48-R69 HydrophobicContact CD1-CB 4.38Å; K65-R69 VanDerWaalsContact O-CB 3.24Å; K65-R69 WeakPolarHBondContact O-CB 3.48Å; K65-R69 PolarHBondContact O-N 2.93Å; K66-R69 WeakPolarHBondContact O-CB 3.41Å; K66-R69 PolarHBondContact O-N 3.34Å; D67-R69 VanDerWaalsContact C-N 3.29Å; D67-R69 PolarHBondContact O-N 2.93Å; R69-L71 PolarHBondContact O-N 2.81Å; R69-V72 WeakPolarHBondContact O-CB 3.35Å; R69-V72 PolarHBondContact O-N 3.42Å; R69-V72 VanDerWaalsContact O-N 3.07Å; R69-E73 IonicContact CZ-OE1 3.87Å; R69-E73 VanDerWaalsContact CZ-OE1 3.29Å; R69-E73 IonicContact NE-OE1 3.98Å; R69-E73 PolarHBondContact NE-OE1 3.35Å; R69-E73 IonicContact NH2-OE1 2.7Å; R69-E73 PolarHBondContact NH2-OE1 2.99Å; R69-E73 PolarHBondContact O-N 3.44Å
70E86.6Confident80.2Confident92 Ų9260.3 Ų60.343%0.4332%0.317SS..Hα-helixtrans-58.2-39.9177.5-173.4-174.816400110.7K66 D67 E73 K74K66-E70 PolarHBondContact O-N 3.2Å; D67-E70 PolarHBondContact O-N 3Å; E70-E73 PolarHBondContact O-N 2.88Å; E70-K74 HydrophobicContact CG-CD 4.37Å; E70-K74 WeakPolarHBondContact O-CB 3.21Å; E70-K74 WeakPolarHBondContact O-CG 3.19Å; E70-K74 PolarHBondContact O-N 3.23Å; E70-K74 WeakPolarHBondContact OE1-CE 3.43Å; E70-K74 IonicContact OE1-NZ 2.7Å; E70-K74 PolarHBondContact OE1-NZ 3.04Å
71L84.9Confident80.5Confident34 Ų3458.6 Ų58.618%0.17831%0.306CS..Hα-helixtrans-66.3-37.6175.9-170.161.7000112.5L52 L62 D67 V68 R69 S75 L243L52-L71 HydrophobicContact CD1-CB 4.5Å; L52-L71 HydrophobicContact CD1-CD2 4.04Å; L52-L71 HydrophobicContact CD1-CG 4.48Å; L52-L71 HydrophobicContact CD2-CB 4.48Å; L52-L71 HydrophobicContact CD2-CD2 4.29Å; L52-L71 HydrophobicContact CD2-CG 4.09Å; L62-L71 HydrophobicContact CD1-CD2 4.12Å; D67-L71 PolarHBondContact O-N 2.8Å; V68-L71 PolarHBondContact O-N 3.49Å; R69-L71 PolarHBondContact O-N 2.81Å; L71-S75 VanDerWaalsContact O-CB 3.28Å; L71-S75 WeakPolarHBondContact O-CB 3.48Å; L71-S75 PolarHBondContact O-N 2.89Å; L71-S75 PolarHBondContact O-OG 2.68Å; L71-S75 VanDerWaalsContact O-OG 3.14Å; L71-L243 HydrophobicContact CD1-CD2 4.04Å
72V86.6Confident81.2Confident1 Ų155.3 Ų55.31%0.00627%0.271CS..Hα-helixtrans-62-49.2172.9172.50000110.1L48 L52 R55 V68 R69 K74 S75 G76L48-V72 HydrophobicContact CD2-CG2 4.22Å; L52-V72 HydrophobicContact CD1-CG2 4.14Å; L52-V72 HydrophobicContact CD2-CB 4.42Å; L52-V72 HydrophobicContact CD2-CG2 3.54Å; L52-V72 HydrophobicContact CG-CG2 3.57Å; R55-V72 PolarHBondContact NH1-O 3.31Å; R55-V72 VanDerWaalsContact NH1-O 3.16Å; V68-V72 WeakPolarHBondContact O-CG2 2.71Å; V68-V72 PolarHBondContact O-N 3.27Å; R69-V72 WeakPolarHBondContact O-CB 3.35Å; R69-V72 PolarHBondContact O-N 3.42Å; R69-V72 VanDerWaalsContact O-N 3.07Å; V72-K74 PolarHBondContact O-N 3.39Å; V72-S75 WeakPolarHBondContact CA-OG 3.27Å; V72-S75 PolarHBondContact O-N 2.95Å; V72-S75 PolarHBondContact O-OG 3.47Å; V72-G76 PolarHBondContact O-N 2.9Å
73E85.6Confident81.6Confident87 Ų8752.8 Ų52.841%0.40726%0.258SS..Hα-helixtrans-59.8-44.1178.5-70.6174.1-177.500111.6P40 R69 E70 S75 G76P40-E73 HydrophobicContact CG-CG 3.93Å; P40-E73 WeakPolarHBondContact CG-OE1 3.48Å; R69-E73 IonicContact CZ-OE1 3.87Å; R69-E73 VanDerWaalsContact CZ-OE1 3.29Å; R69-E73 IonicContact NE-OE1 3.98Å; R69-E73 PolarHBondContact NE-OE1 3.35Å; R69-E73 IonicContact NH2-OE1 2.7Å; R69-E73 PolarHBondContact NH2-OE1 2.99Å; R69-E73 PolarHBondContact O-N 3.44Å; E70-E73 PolarHBondContact O-N 2.88Å; E73-S75 PolarHBondContact O-N 2.67Å; E73-G76 PolarHBondContact O-N 3.43Å
74K82.3Confident81.9Confident81 Ų8153.5 Ų53.535%0.35225%0.248SC..Hα-helixtrans-64.2-22.9174.5-74.4179.6-177.2172.10113.9E70 V72 L243 P286E70-K74 HydrophobicContact CG-CD 4.37Å; E70-K74 WeakPolarHBondContact O-CB 3.21Å; E70-K74 WeakPolarHBondContact O-CG 3.19Å; E70-K74 PolarHBondContact O-N 3.23Å; E70-K74 WeakPolarHBondContact OE1-CE 3.43Å; E70-K74 IonicContact OE1-NZ 2.7Å; E70-K74 PolarHBondContact OE1-NZ 3.04Å; V72-K74 PolarHBondContact O-N 3.39Å; K74-L243 HydrophobicContact CB-CD2 4.48Å; K74-P286 WeakPolarHBondContact O-CD 3.46Å
75S80.4Confident81.5Confident3 Ų350.2 Ų50.22%0.02124%0.236CC..Hα-helixtrans-92.5-7.9-177.769.80000114.6R55 L71 V72 E73 P286R55-S75 WeakPolarHBondContact CD-OG 3.34Å; R55-S75 PolarHBondContact NH1-OG 3.48Å; L71-S75 VanDerWaalsContact O-CB 3.28Å; L71-S75 WeakPolarHBondContact O-CB 3.48Å; L71-S75 PolarHBondContact O-N 2.89Å; L71-S75 PolarHBondContact O-OG 2.68Å; L71-S75 VanDerWaalsContact O-OG 3.14Å; V72-S75 WeakPolarHBondContact CA-OG 3.27Å; V72-S75 PolarHBondContact O-N 2.95Å; V72-S75 PolarHBondContact O-OG 3.47Å; E73-S75 PolarHBondContact O-N 2.67Å; S75-P286 VanDerWaalsContact O-CG 3.28Å; S75-P286 WeakPolarHBondContact O-CG 3.38Å
76G80.8Confident81.1Confident3 Ų346.3 Ų46.33%0.03122%0.22CC..  trans136.8155.517600000113.4R55 V72 E73 P286R55-G76 PolarHBondContact NH1-O 2.87Å; R55-G76 PolarHBondContact NH2-O 3.5Å; V72-G76 PolarHBondContact O-N 2.9Å; E73-G76 PolarHBondContact O-N 3.43Å; G76-P286 VanDerWaalsContact CA-CG 3.46Å; G76-P286 VanDerWaalsContact N-CG 3.34Å
77D78.4Confident80.8Confident104 Ų10441.4 Ų41.456%0.55620%0.201SC*.  trans-53.3142.9169-68.8-26000110.4L37 R55L37-D77 HydrophobicContact CD2-CB 3.79Å; R55-D77 PolarHBondContact NH2-O 3.3Å
78L79.8Confident80.3Confident7 Ų741.4 Ų41.44%0.03720%0.198CC..  trans-102.7122.5-179.6-178.265.7000109.6V38 L43 I51 E82V38-L78 HydrophobicContact CB-CD2 4.13Å; V38-L78 HydrophobicContact CB-CG 4.21Å; V38-L78 HydrophobicContact CG1-CD2 4.3Å; V38-L78 PolarHBondContact N-O 3.29Å; L43-L78 HydrophobicContact CD1-CD2 3.27Å; I51-L78 HydrophobicContact CD1-CD1 3.63Å; I51-L78 HydrophobicContact CD1-CD2 3.58Å; I51-L78 HydrophobicContact CD1-CG 4.27Å; I51-L78 HydrophobicContact CG1-CD1 4.14Å; I51-L78 HydrophobicContact CG2-CD1 4Å; L78-E82 HydrophobicContact CD1-CB 4.38Å; L78-E82 HydrophobicContact CD1-CG 4.45Å
79M78.9Confident79.5Confident22 Ų2244.2 Ų44.211%0.10821%0.211CC..BIsolated β-bridgetrans-105.9149.9174.9-71.2-172.1-82.400111.3L37 G81 E82 L83 E305 F306L37-M79 HydrophobicContact CD2-CG 4.36Å; M79-G81 VanDerWaalsContact C-N 3.25Å; M79-G81 PolarHBondContact O-N 3.34Å; M79-E82 WeakPolarHBondContact O-CB 3.42Å; M79-E82 PolarHBondContact O-N 2.64Å; M79-L83 PolarHBondContact O-N 2.99Å; M79-E305 WeakPolarHBondContact CE-O 3.47Å; M79-F306 HydrophobicContact CB-CD1 3.69Å; M79-F306 HydrophobicContact CB-CE1 3.94Å; M79-F306 HydrophobicContact CE-CB 4.23Å; M79-F306 HydrophobicContact CE-CD1 3.4Å; M79-F306 VanDerWaalsContact CE-CD1 3.4Å; M79-F306 HydrophobicContact CE-CE1 4.13Å; M79-F306 HydrophobicContact CE-CG 4.17Å; M79-F306 HydrophobicContact CG-CD1 4.3Å; M79-F306 HydrophobicContact SD-CD1 3.68Å; M79-F306 HydrophobicContact SD-CE1 3.8Å
80E75.2Confident78.7Confident66 Ų6643.3 Ų43.331%0.30821%0.21SC..Hα-helixtrans-59.7-36.9-179.3-170.463.4-147.600111.8I32 Q36 V38 E82 L83 Y84I32-E80 HydrophobicContact CG2-CG 4.39Å; Q36-E80 PolarHBondContact O-N 2.98Å; Q36-E80 VanDerWaalsContact O-N 3.12Å; V38-E80 HydrophobicContact CG2-CB 3.78Å; V38-E80 HydrophobicContact CG2-CG 4.48Å; V38-E80 WeakPolarHBondContact CG2-OE2 3.35Å; E80-E82 VanDerWaalsContact C-N 3.29Å; E80-E82 PolarHBondContact O-N 3.05Å; E80-L83 WeakPolarHBondContact O-CB 3.5Å; E80-L83 PolarHBondContact O-N 3.18Å; E80-Y84 PolarHBondContact O-N 2.87Å
81G72.3Confident77.7Confident9 Ų946.2 Ų46.29%0.09322%0.224CC..Hα-helixtrans-61.5-32.1174.300000114.3A34 M79 S85A34-G81 PolarHBondContact O-N 3.45Å; M79-G81 VanDerWaalsContact C-N 3.25Å; M79-G81 PolarHBondContact O-N 3.34Å; G81-S85 WeakPolarHBondContact O-CB 3.34Å; G81-S85 PolarHBondContact O-N 3.25Å; G81-S85 VanDerWaalsContact O-N 3.09Å; G81-S85 PolarHBondContact O-OG 3.49Å
82E79.7Confident76.6Confident5 Ų548 Ų482%0.02324%0.244CC..Hα-helixtrans-70.4-43.9173.7-172.4-173.6160.100110.8R55 L78 M79 E80 Y84 S85 A86 F306R55-E82 IonicContact CZ-OE1 3.36Å; R55-E82 VanDerWaalsContact CZ-OE1 3.3Å; R55-E82 IonicContact CZ-OE2 3.18Å; R55-E82 IonicContact NE-OE1 3.67Å; R55-E82 PolarHBondContact NE-OE1 3.45Å; R55-E82 IonicContact NE-OE2 2.75Å; R55-E82 VanDerWaalsContact NH2-CD 3.32Å; R55-E82 IonicContact NH2-OE1 2.68Å; R55-E82 PolarHBondContact NH2-OE1 3.3Å; R55-E82 VanDerWaalsContact NH2-OE1 3.11Å; R55-E82 IonicContact NH2-OE2 3.54Å; R55-E82 PolarHBondContact NH2-OE2 3.01Å; L78-E82 HydrophobicContact CD1-CB 4.38Å; L78-E82 HydrophobicContact CD1-CG 4.45Å; M79-E82 WeakPolarHBondContact O-CB 3.42Å; M79-E82 PolarHBondContact O-N 2.64Å; E80-E82 VanDerWaalsContact C-N 3.29Å; E80-E82 PolarHBondContact O-N 3.05Å; E82-Y84 PolarHBondContact O-N 3.41Å; E82-S85 PolarHBondContact O-N 3.5Å; E82-A86 WeakPolarHBondContact O-CB 3.16Å; E82-A86 PolarHBondContact O-N 3.07Å; E82-F306 HydrophobicContact CB-CB 4.46Å
83L81.8Confident75.2Confident4 Ų449.1 Ų49.12%0.02125%0.251CS..Hα-helixtrans-61.1-44.9177176.762.8000111.4L43 K47 I51 M79 E80 S85 A86 L87L43-L83 HydrophobicContact CD2-CD2 3.79Å; K47-L83 HydrophobicContact CB-CD1 4.37Å; K47-L83 HydrophobicContact CD-CD1 4.35Å; I51-L83 HydrophobicContact CD1-CD1 4.05Å; I51-L83 HydrophobicContact CG1-CD1 4.38Å; M79-L83 PolarHBondContact O-N 2.99Å; E80-L83 WeakPolarHBondContact O-CB 3.5Å; E80-L83 PolarHBondContact O-N 3.18Å; L83-S85 PolarHBondContact O-N 3.47Å; L83-A86 PolarHBondContact O-N 3.24Å; L83-L87 HydrophobicContact CD1-CD1 4.21Å; L83-L87 HydrophobicContact CD1-CG 4.36Å; L83-L87 HydrophobicContact CG-CD1 4.19Å; L83-L87 VanDerWaalsContact O-CG 3.3Å; L83-L87 WeakPolarHBondContact O-CG 3.24Å; L83-L87 PolarHBondContact O-N 3.11Å
84Y76.3Confident73.7Confident125 Ų12554 Ų5449%0.4927%0.274SS..Hα-helixtrans-60.4-45.4176.1-178.2-96000111.8E80 E82 A86 L87 K88E80-Y84 PolarHBondContact O-N 2.87Å; E82-Y84 PolarHBondContact O-N 3.41Å; Y84-A86 PolarHBondContact O-N 3.08Å; Y84-L87 PolarHBondContact O-N 3.23Å; Y84-K88 HydrophobicContact CE1-CD 4.26Å; Y84-K88 WeakPolarHBondContact O-CB 3.29Å; Y84-K88 PolarHBondContact O-N 2.83Å
85S75.1Confident72.4Confident39 Ų3955.4 Ų55.427%0.27329%0.294SS..Hα-helixtrans-61.4-43.9177.8-57.90000111.7G81 E82 L83 L87 K88 E89G81-S85 WeakPolarHBondContact O-CB 3.34Å; G81-S85 PolarHBondContact O-N 3.25Å; G81-S85 VanDerWaalsContact O-N 3.09Å; G81-S85 PolarHBondContact O-OG 3.49Å; E82-S85 PolarHBondContact O-N 3.5Å; L83-S85 PolarHBondContact O-N 3.47Å; S85-L87 VanDerWaalsContact C-N 3.35Å; S85-L87 PolarHBondContact O-N 3.42Å; S85-K88 PolarHBondContact O-N 2.97Å; S85-E89 WeakPolarHBondContact O-CG 3.35Å; S85-E89 PolarHBondContact O-N 3.39Å
86A77.3Confident71.9Confident2 Ų258.3 Ų58.32%0.01731%0.312CS..Hα-helixtrans-62.7-39.5178.500000112.6C54 E82 L83 Y84 E90C54-A86 HydrophobicContact CB-CB 4.41Å; E82-A86 WeakPolarHBondContact O-CB 3.16Å; E82-A86 PolarHBondContact O-N 3.07Å; L83-A86 PolarHBondContact O-N 3.24Å; Y84-A86 PolarHBondContact O-N 3.08Å; A86-E90 PolarHBondContact O-N 3.38Å
87L78.6Confident71.6Confident53 Ų5363.3 Ų63.328%0.27735%0.346SS..Hα-helixtrans-69.5-43177.2-68.4171.2000111.7L83 Y84 S85 E89 E90 E91L83-L87 HydrophobicContact CD1-CD1 4.21Å; L83-L87 HydrophobicContact CD1-CG 4.36Å; L83-L87 HydrophobicContact CG-CD1 4.19Å; L83-L87 VanDerWaalsContact O-CG 3.3Å; L83-L87 WeakPolarHBondContact O-CG 3.24Å; L83-L87 PolarHBondContact O-N 3.11Å; Y84-L87 PolarHBondContact O-N 3.23Å; S85-L87 VanDerWaalsContact C-N 3.35Å; S85-L87 PolarHBondContact O-N 3.42Å; L87-E89 VanDerWaalsContact C-N 3.31Å; L87-E89 PolarHBondContact O-N 3.38Å; L87-E90 WeakPolarHBondContact O-CB 3.43Å; L87-E90 PolarHBondContact O-N 3.24Å; L87-E90 VanDerWaalsContact O-N 3.08Å; L87-E91 PolarHBondContact O-N 3.11Å
88K73.8Confident72Confident54 Ų5460.6 Ų60.624%0.23534%0.336CS..Hα-helixtrans-62-38.5176.5-175.2170.6178.9165.90112.2Y84 S85 E90 E91 A92 S415 H416Y84-K88 HydrophobicContact CE1-CD 4.26Å; Y84-K88 WeakPolarHBondContact O-CB 3.29Å; Y84-K88 PolarHBondContact O-N 2.83Å; S85-K88 PolarHBondContact O-N 2.97Å; K88-E90 VanDerWaalsContact C-N 3.27Å; K88-E90 PolarHBondContact O-N 2.98Å; K88-E91 PolarHBondContact O-N 2.92Å; K88-E91 VanDerWaalsContact O-N 3.16Å; K88-A92 WeakPolarHBondContact O-CB 3.21Å; K88-A92 PolarHBondContact O-N 3.43Å; K88-S415 PolarHBondContact NZ-O 3.23Å; K88-S415 PolarHBondContact NZ-OG 3.4Å; K88-H416 PolarHBondContact NZ-CE1 2.84Å; K88-H416 PolarHBondContact NZ-NE2 2.63Å
89E69.7Low72.4Confident59 Ų5962.6 Ų62.628%0.27635%0.348SS..Hα-helixtrans-68.4-21.8174.5-77.1-176.3-176.300113.9S85 L87 R146S85-E89 WeakPolarHBondContact O-CG 3.35Å; S85-E89 PolarHBondContact O-N 3.39Å; L87-E89 VanDerWaalsContact C-N 3.31Å; L87-E89 PolarHBondContact O-N 3.38Å; E89-R146 PolarHBondContact O-NH2 3.47Å; E89-R146 VanDerWaalsContact O-NH2 3.08Å
90E69.8Low73.1Confident59 Ų5966.8 Ų66.828%0.27637%0.371SS..Hα-helixtrans-70.6-40.9167.9-69.2-154.812400111.2T50 A86 L87 K88 S93T50-E90 HydrophobicContact CG2-CG 4.26Å; T50-E90 WeakPolarHBondContact CG2-OE1 3.29Å; A86-E90 PolarHBondContact O-N 3.38Å; L87-E90 WeakPolarHBondContact O-CB 3.43Å; L87-E90 PolarHBondContact O-N 3.24Å; L87-E90 VanDerWaalsContact O-N 3.08Å; K88-E90 VanDerWaalsContact C-N 3.27Å; K88-E90 PolarHBondContact O-N 2.98Å; E90-S93 PolarHBondContact O-OG 3.17Å
91E65.4Low73.9Confident153 Ų15363.8 Ų63.872%0.71536%0.357SS*.Hα-helixtrans-74.5-42.3-177.8-65.9176.9177.600112.8L87 K88 S93L87-E91 PolarHBondContact O-N 3.11Å; K88-E91 PolarHBondContact O-N 2.92Å; K88-E91 VanDerWaalsContact O-N 3.16Å; E91-S93 PolarHBondContact O-N 2.92Å; E91-S93 VanDerWaalsContact O-N 3.08Å
92A60.3Low74.7Confident73 Ų7367.4 Ų67.460%0.60338%0.381SS*.THydrogen-bonded Turntrans-72.9-0.2-175.200000115.3K88 E94K88-A92 WeakPolarHBondContact O-CB 3.21Å; K88-A92 PolarHBondContact O-N 3.43Å; A92-E94 VanDerWaalsContact C-N 3.29Å; A92-E94 PolarHBondContact O-N 3.34Å
93S57.9Low75.2Confident23 Ų2367.7 Ų67.716%0.16139%0.385CS..G310 helixtrans-86.218.6-163.4610000115.9E90 E91 S95 K142E90-S93 PolarHBondContact O-OG 3.17Å; E91-S93 PolarHBondContact O-N 2.92Å; E91-S93 VanDerWaalsContact O-N 3.08Å; S93-S95 PolarHBondContact O-N 3.25Å; S93-K142 WeakPolarHBondContact OG-CE 3.22Å; S93-K142 PolarHBondContact OG-NZ 2.76Å
94E54.3Low75.7Confident189 Ų18970.5 Ų70.588%0.88340%0.398SS*.G310 helixtrans-80.1-7.4-174.7-71.2-169.5152.700115.1A92A92-E94 VanDerWaalsContact C-N 3.29Å; A92-E94 PolarHBondContact O-N 3.34Å
95S55.8Low76.3Confident111 Ų11172.5 Ų72.578%0.77641%0.414SS*.G310 helixtrans-132.939.6-172.262.40000116.3S93 S97S93-S95 PolarHBondContact O-N 3.25Å; S95-S97 PolarHBondContact O-N 3.23Å
96V68Low77.2Confident64 Ų6473.3 Ų73.339%0.38841%0.413SS..  trans-83.5114.3173.8-170.40000110.5V141V96-V141 HydrophobicContact CB-CG1 4.23Å; V96-V141 HydrophobicContact CG1-CG1 3.54Å
97S74.5Confident77.8Confident108 Ų10873.2 Ų73.276%0.75541%0.413SS*.PPolyproline II helixtrans-93.7135.7175.957.20000111.9S95S95-S97 PolarHBondContact O-N 3.23Å
98S86.9Confident78.4Confident48 Ų4876.3 Ų76.334%0.33642%0.421SS..PPolyproline II helixtrans-94.6137.3168.463.60000109.7T151S98-T151 WeakPolarHBondContact CB-OG1 3.46Å
99T89.6Confident79.1Confident49 Ų4979.4 Ų79.430%0.30144%0.437SS..EExtended strand (participates in β ladder)trans-70.3146.4177.660.40000111.6W119 T151 G152 T153T99-W119 HydrophobicContact CG2-CH2 4.13Å; T99-W119 HydrophobicContact CG2-CZ3 4.06Å; T99-W119 WeakPolarHBondContact OG1-CZ3 3.39Å; T99-T151 PolarHBondContact N-O 3.33Å; T99-T151 PolarHBondContact OG1-O 2.97Å; T99-G152 CarbonylContact O-C 3.6Å; T99-G152 WeakPolarHBondContact O-CA 3.37Å; T99-G152 VanDerWaalsContact OG1-CA 3.24Å; T99-G152 WeakPolarHBondContact OG1-CA 3.18Å; T99-T153 PolarHBondContact O-N 2.6Å; T99-T153 PolarHBondContact O-OG1 2.71Å
100N92.8Very high80Confident109 Ų10978.7 Ų78.758%0.58344%0.435SS*.EExtended strand (participates in β ladder)trans-113.9119.3171.3-171.96.1000108.5T153N100-T153 PolarHBondContact OD1-O 3.28Å
101F93.3Very high80.9Confident3 Ų376 Ų761%0.01342%0.422CS..EExtended strand (participates in β ladder)trans-80.9131.2-177.2-63.6-70.3000110.4F107 L110 V111 W119 V121 T153 F154F101-F107 HydrophobicContact CD1-CB 4.34Å; F101-F107 HydrophobicContact CD1-CD2 4.38Å; F101-F107 HydrophobicContact CD2-CD2 4.05Å; F101-F107 HydrophobicContact CE1-CD2 4.41Å; F101-F107 HydrophobicContact CE2-CD2 4.08Å; F101-F107 HydrophobicContact CE2-CE2 4.46Å; F101-F107 HydrophobicContact CG-CD2 4.2Å; F101-F107 HydrophobicContact CZ-CD2 4.27Å; F101-L110 HydrophobicContact CE1-CB 4.18Å; F101-L110 HydrophobicContact CE1-CD1 4.1Å; F101-V111 HydrophobicContact CE1-CG2 3.86Å; F101-V111 HydrophobicContact CE2-CG2 4.42Å; F101-V111 HydrophobicContact CZ-CG2 3.54Å; F101-W119 HydrophobicContact CE1-CZ3 4.46Å; F101-W119 AromaticContact CZ-CE3 3.95Å; F101-W119 HydrophobicContact CZ-CE3 3.95Å; F101-W119 HydrophobicContact CZ-CH2 4.47Å; F101-W119 AromaticContact CZ-CZ3 3.85Å; F101-W119 HydrophobicContact CZ-CZ3 3.85Å; F101-V121 HydrophobicContact CD2-CG1 4.03Å; F101-V121 HydrophobicContact CE2-CB 4.33Å; F101-V121 HydrophobicContact CE2-CG1 3.7Å; F101-V121 HydrophobicContact CE2-CG2 3.69Å; F101-V121 HydrophobicContact CZ-CG2 4.16Å; F101-T153 VanDerWaalsContact CD2-O 3.31Å; F101-T153 WeakPolarHBondContact CD2-O 3.48Å; F101-T153 PolarHBondContact N-O 2.96Å; F101-F154 HydrophobicContact CB-CB 4.45Å; F101-F154 HydrophobicContact CB-CD2 3.53Å; F101-F154 HydrophobicContact CB-CE2 4.16Å; F101-F154 HydrophobicContact CB-CG 4.37Å; F101-F154 HydrophobicContact CD2-CB 4.12Å; F101-F154 HydrophobicContact CD2-CD2 4.26Å; F101-F154 HydrophobicContact CG-CD2 4.15Å
102S88.9Confident81.9Confident85 Ų8570.4 Ų70.459%0.59440%0.396SS*.  trans-81.4-31.6-178.646.60000112.6H106 S158S102-H106 PolarHBondContact N-ND1 3.01Å; S102-H106 WeakPolarHBondContact OG-CB 3.45Å; S102-H106 PolarHBondContact OG-ND1 2.96Å; S102-S158 WeakPolarHBondContact O-CB 3.47Å; S102-S158 PolarHBondContact O-OG 3.16Å
103G90.1Very high83Confident11 Ų1171.4 Ų71.411%0.11339%0.391CS..SBendtrans178.7-168.7179.900000113.3M105 H106 F107G103-M105 PolarHBondContact O-N 3.34Å; G103-H106 PolarHBondContact O-N 3.42Å; G103-F107 PolarHBondContact O-N 3.36Å; G103-F107 VanDerWaalsContact O-N 3.13Å
104E90.6Very high83.6Confident64 Ų6472.1 Ų72.130%0.29940%0.395SS..Hα-helixtrans-52.4-49.3-177.1174.1167.2-160.500113H106 F107 Y108 Y162 R165E104-H106 PolarHBondContact O-N 3.37Å; E104-F107 PolarHBondContact O-N 3.4Å; E104-Y108 WeakPolarHBondContact O-CB 3.08Å; E104-Y108 PolarHBondContact O-N 3.2Å; E104-Y162 HydrophobicContact CB-CD1 4.45Å; E104-Y162 HydrophobicContact CB-CD2 3.73Å; E104-Y162 HydrophobicContact CB-CE2 4.2Å; E104-Y162 HydrophobicContact CB-CG 3.87Å; E104-Y162 HydrophobicContact CG-CD2 3.45Å; E104-Y162 VanDerWaalsContact CG-CD2 3.45Å; E104-Y162 HydrophobicContact CG-CE2 3.56Å; E104-Y162 HydrophobicContact CG-CG 4.13Å; E104-Y162 WeakPolarHBondContact OE1-CD2 3.01Å; E104-Y162 WeakPolarHBondContact OE1-CE2 3.46Å; E104-R165 IonicContact OE1-NH1 3.13Å; E104-R165 PolarHBondContact OE1-NH1 3.11Å; E104-R165 IonicContact OE2-NH1 3.89Å; E104-R165 PolarHBondContact OE2-NH1 3.17Å; E104-R165 VanDerWaalsContact OE2-NH1 3.13Å
105M90.7Very high84.2Confident166 Ų16666.2 Ų66.282%0.81837%0.366SS*.Hα-helixtrans-62.2-45.2-175.5-66.1-179.8173.400112.6G103 F107 Y108 E109G103-M105 PolarHBondContact O-N 3.34Å; M105-F107 PolarHBondContact O-N 3.06Å; M105-Y108 PolarHBondContact O-N 3.36Å; M105-E109 WeakPolarHBondContact O-CB 3.49Å; M105-E109 PolarHBondContact O-N 3.18Å
106H92.1Very high84.6Confident57 Ų5767 Ų6726%0.26436%0.362SS..Hα-helixtrans-67.3-37.3-180-177-167.1000111.7S102 G103 E104 L110S102-H106 PolarHBondContact N-ND1 3.01Å; S102-H106 WeakPolarHBondContact OG-CB 3.45Å; S102-H106 PolarHBondContact OG-ND1 2.96Å; G103-H106 PolarHBondContact O-N 3.42Å; E104-H106 PolarHBondContact O-N 3.37Å; H106-L110 VanDerWaalsContact CD2-CD1 3.48Å; H106-L110 WeakPolarHBondContact CD2-CD1 3Å; H106-L110 WeakPolarHBondContact NE2-CD1 3.25Å; H106-L110 PolarHBondContact O-N 2.86Å
107F91.7Very high85.1Confident0 Ų064.4 Ų64.40%035%0.348CS..Hα-helixtrans-66.7-44.2173.5-178.2-90.7000111.5F101 G103 E104 M105 V111 E112 V121 F154 Y162 W168 L189F101-F107 HydrophobicContact CD1-CB 4.34Å; F101-F107 HydrophobicContact CD1-CD2 4.38Å; F101-F107 HydrophobicContact CD2-CD2 4.05Å; F101-F107 HydrophobicContact CE1-CD2 4.41Å; F101-F107 HydrophobicContact CE2-CD2 4.08Å; F101-F107 HydrophobicContact CE2-CE2 4.46Å; F101-F107 HydrophobicContact CG-CD2 4.2Å; F101-F107 HydrophobicContact CZ-CD2 4.27Å; G103-F107 PolarHBondContact O-N 3.36Å; G103-F107 VanDerWaalsContact O-N 3.13Å; E104-F107 PolarHBondContact O-N 3.4Å; M105-F107 PolarHBondContact O-N 3.06Å; F107-V111 HydrophobicContact CD1-CB 4.47Å; F107-V111 HydrophobicContact CD2-CB 4.36Å; F107-V111 HydrophobicContact CD2-CG2 3.95Å; F107-V111 HydrophobicContact CE1-CB 4.25Å; F107-V111 HydrophobicContact CE1-CG1 4.3Å; F107-V111 HydrophobicContact CE2-CB 4.14Å; F107-V111 HydrophobicContact CE2-CG1 4.14Å; F107-V111 HydrophobicContact CE2-CG2 3.92Å; F107-V111 HydrophobicContact CG-CG2 4.44Å; F107-V111 HydrophobicContact CZ-CB 4.08Å; F107-V111 HydrophobicContact CZ-CG1 3.84Å; F107-V111 HydrophobicContact CZ-CG2 4.37Å; F107-V111 WeakPolarHBondContact O-CA 3.35Å; F107-V111 WeakPolarHBondContact O-CB 3.5Å; F107-V111 PolarHBondContact O-N 3.34Å; F107-E112 HydrophobicContact CD1-CG 4.37Å; F107-E112 HydrophobicContact CE1-CG 4.01Å; F107-E112 WeakPolarHBondContact CE1-OE1 3.39Å; F107-V121 HydrophobicContact CE2-CB 4.3Å; F107-V121 HydrophobicContact CE2-CG1 4.04Å; F107-V121 HydrophobicContact CE2-CG2 4.01Å; F107-F154 HydrophobicContact CB-CD2 4.17Å; F107-F154 HydrophobicContact CB-CE2 4.02Å; F107-F154 AromaticContact CD2-CD2 4Å; F107-F154 HydrophobicContact CD2-CD2 4Å; F107-F154 HydrophobicContact CG-CD2 4.32Å; F107-F154 HydrophobicContact CG-CE2 4.47Å; F107-Y162 HydrophobicContact CD1-CE1 4.11Å; F107-Y162 WeakPolarHBondContact CD1-OH 3.47Å; F107-W168 HydrophobicContact CE1-CH2 4.06Å; F107-W168 HydrophobicContact CE2-CH2 4.38Å; F107-W168 AromaticContact CZ-CH2 3.89Å; F107-W168 HydrophobicContact CZ-CH2 3.89Å; F107-L189 HydrophobicContact CE1-CD1 4.27Å; F107-L189 HydrophobicContact CZ-CD1 4.43Å; F107-L189 HydrophobicContact CZ-CD2 4.43Å
108Y90Very high85.8Confident117 Ų11759.6 Ų59.646%0.45931%0.313SS..Iπ-helixtrans-61.2-51.3179.3-179.8-92.3000111.4E104 M105 L110 E112 D113E104-Y108 WeakPolarHBondContact O-CB 3.08Å; E104-Y108 PolarHBondContact O-N 3.2Å; M105-Y108 PolarHBondContact O-N 3.36Å; Y108-L110 PolarHBondContact O-N 3.48Å; Y108-E112 HydrophobicContact CD2-CB 3.72Å; Y108-E112 HydrophobicContact CD2-CG 4.39Å; Y108-E112 WeakPolarHBondContact CD2-OE2 3.45Å; Y108-E112 HydrophobicContact CE2-CB 4.03Å; Y108-E112 HydrophobicContact CG-CB 4.36Å; Y108-E112 CarbonylContact O-C 3.54Å; Y108-E112 WeakPolarHBondContact O-CA 3.36Å; Y108-E112 PolarHBondContact O-N 2.98Å; Y108-D113 HydrophobicContact CD1-CB 4.27Å; Y108-D113 HydrophobicContact CE1-CB 3.93Å; Y108-D113 WeakPolarHBondContact O-CB 3.24Å; Y108-D113 PolarHBondContact O-N 3.18Å
109E89.6Confident86.1Confident120 Ų12057.6 Ų57.656%0.56130%0.298SS*.Iπ-helixtrans-56.3-51180-176.3-178.6-179.500111.5M105 T114M105-E109 WeakPolarHBondContact O-CB 3.49Å; M105-E109 PolarHBondContact O-N 3.18Å; E109-T114 VanDerWaalsContact O-CG2 3.28Å; E109-T114 WeakPolarHBondContact O-CG2 3.02Å; E109-T114 PolarHBondContact O-N 3.22Å
110L88.6Confident86.3Confident44 Ų4455.3 Ų55.323%0.2328%0.284CS..Iπ-helixtrans-80.8-31.1-174.6-70-174.4000114.3F101 H106 Y108 T114 W119F101-L110 HydrophobicContact CE1-CB 4.18Å; F101-L110 HydrophobicContact CE1-CD1 4.1Å; H106-L110 VanDerWaalsContact CD2-CD1 3.48Å; H106-L110 WeakPolarHBondContact CD2-CD1 3Å; H106-L110 WeakPolarHBondContact NE2-CD1 3.25Å; H106-L110 PolarHBondContact O-N 2.86Å; Y108-L110 PolarHBondContact O-N 3.48Å; L110-T114 PolarHBondContact O-OG1 3.08Å; L110-W119 HydrophobicContact CB-CH2 4.22Å; L110-W119 HydrophobicContact CB-CZ2 3.82Å; L110-W119 HydrophobicContact CD1-CH2 4.13Å; L110-W119 HydrophobicContact CD1-CZ2 4.45Å; L110-W119 PolarHBondContact O-NE1 2.87Å
111V88.1Confident86.3Confident1 Ų150.2 Ų50.21%0.00626%0.257CS..Iπ-helixtrans-111.3-38.7-168.4-175.30000113.1F101 F107 W119 V121 L189F101-V111 HydrophobicContact CE1-CG2 3.86Å; F101-V111 HydrophobicContact CE2-CG2 4.42Å; F101-V111 HydrophobicContact CZ-CG2 3.54Å; F107-V111 HydrophobicContact CD1-CB 4.47Å; F107-V111 HydrophobicContact CD2-CB 4.36Å; F107-V111 HydrophobicContact CD2-CG2 3.95Å; F107-V111 HydrophobicContact CE1-CB 4.25Å; F107-V111 HydrophobicContact CE1-CG1 4.3Å; F107-V111 HydrophobicContact CE2-CB 4.14Å; F107-V111 HydrophobicContact CE2-CG1 4.14Å; F107-V111 HydrophobicContact CE2-CG2 3.92Å; F107-V111 HydrophobicContact CG-CG2 4.44Å; F107-V111 HydrophobicContact CZ-CB 4.08Å; F107-V111 HydrophobicContact CZ-CG1 3.84Å; F107-V111 HydrophobicContact CZ-CG2 4.37Å; F107-V111 WeakPolarHBondContact O-CA 3.35Å; F107-V111 WeakPolarHBondContact O-CB 3.5Å; F107-V111 PolarHBondContact O-N 3.34Å; V111-W119 HydrophobicContact CB-CG 4.39Å; V111-W119 HydrophobicContact CG1-CB 4Å; V111-W119 HydrophobicContact CG1-CG 4.11Å; V111-W119 HydrophobicContact CG2-CB 4.31Å; V111-W119 HydrophobicContact CG2-CD2 3.87Å; V111-W119 HydrophobicContact CG2-CE3 4.29Å; V111-W119 HydrophobicContact CG2-CG 3.89Å; V111-V121 HydrophobicContact CG2-CG2 4.42Å; V111-L189 HydrophobicContact CG1-CD2 4.21Å
112E85.6Confident86.4Confident37 Ų3750.3 Ų50.317%0.17326%0.257CS..Iπ-helixtrans-97-34.1-175-63.5-169.6-169.700112.7F107 Y108 Y162 R166F107-E112 HydrophobicContact CD1-CG 4.37Å; F107-E112 HydrophobicContact CE1-CG 4.01Å; F107-E112 WeakPolarHBondContact CE1-OE1 3.39Å; Y108-E112 HydrophobicContact CD2-CB 3.72Å; Y108-E112 HydrophobicContact CD2-CG 4.39Å; Y108-E112 WeakPolarHBondContact CD2-OE2 3.45Å; Y108-E112 HydrophobicContact CE2-CB 4.03Å; Y108-E112 HydrophobicContact CG-CB 4.36Å; Y108-E112 CarbonylContact O-C 3.54Å; Y108-E112 WeakPolarHBondContact O-CA 3.36Å; Y108-E112 PolarHBondContact O-N 2.98Å; E112-Y162 PolarHBondContact OE1-OH 2.86Å; E112-Y162 VanDerWaalsContact OE1-OH 3.11Å; E112-R166 IonicContact OE1-CZ 3.83Å; E112-R166 VanDerWaalsContact OE1-CZ 3.29Å; E112-R166 IonicContact OE1-NE 3.8Å; E112-R166 IonicContact OE1-NH1 2.76Å; E112-R166 IonicContact OE1-NH2 2.81Å; E112-R166 PolarHBondContact OE1-NH2 3.11Å; E112-R166 IonicContact OE2-CZ 2.82Å; E112-R166 IonicContact OE2-NH2 3.29Å; E112-R166 PolarHBondContact OE2-NH2 2.71Å
113D83.6Confident86.6Confident93 Ų9346.2 Ų46.250%0.49723%0.229SC..Iπ-helixtrans-86.1-42.6-179.5-162.151.4000111.8Y108Y108-D113 HydrophobicContact CD1-CB 4.27Å; Y108-D113 HydrophobicContact CE1-CB 3.93Å; Y108-D113 WeakPolarHBondContact O-CB 3.24Å; Y108-D113 PolarHBondContact O-N 3.18Å
114T71Confident86.7Confident39 Ų3947.5 Ų47.524%0.23923%0.233CC..  trans-75.613217578.20000111.8E109 L110E109-T114 VanDerWaalsContact O-CG2 3.28Å; E109-T114 WeakPolarHBondContact O-CG2 3.02Å; E109-T114 PolarHBondContact O-N 3.22Å; L110-T114 PolarHBondContact O-OG1 3.08Å
115K66.8Low86.7Confident65 Ų6544.8 Ų44.828%0.28322%0.221SC..  trans-102.8-3.3-178.2-61.8172.3-165.6175.10112.7G117 S183 K184 G185 V187K115-G117 PolarHBondContact O-N 3.42Å; K115-S183 WeakPolarHBondContact CD-O 3.43Å; K115-S183 PolarHBondContact NZ-O 3.44Å; K115-K184 VanDerWaalsContact NZ-CA 3.34Å; K115-G185 VanDerWaalsContact CE-O 3.31Å; K115-G185 WeakPolarHBondContact CE-O 3.49Å; K115-V187 HydrophobicContact CG-CG2 4.36Å
116D64.6Low86.2Confident128 Ų12840.2 Ų40.268%0.68420%0.2SC*.SBendtrans-88.518.3-164-56.6-28.2000113.2
117G78.4Confident84.9Confident9 Ų945 Ų459%0.09323%0.227CC..SBendtrans-177.5162.1177.300000115.3K115K115-G117 PolarHBondContact O-N 3.42Å
118I89.1Confident83.9Confident6 Ų652.4 Ų52.43%0.03126%0.256CS..  trans-82.2133.1166.5-60.9168.7000107.7I149 R150 M175 S176 A210 I255I118-I149 HydrophobicContact CB-CG1 4.19Å; I118-I149 HydrophobicContact CB-CG2 4.16Å; I118-I149 HydrophobicContact CD1-CD1 4.48Å; I118-I149 HydrophobicContact CD1-CG1 4.19Å; I118-I149 HydrophobicContact CG2-CG1 4.35Å; I118-I149 HydrophobicContact CG2-CG2 3.79Å; I118-R150 PolarHBondContact O-N 2.82Å; I118-M175 HydrophobicContact CD1-CE 3.91Å; I118-M175 HydrophobicContact CG1-CE 4.36Å; I118-M175 HydrophobicContact CG2-CE 3.48Å; I118-M175 VanDerWaalsContact CG2-CE 3.48Å; I118-M175 HydrophobicContact CG2-CG 3.83Å; I118-M175 HydrophobicContact CG2-SD 4.49Å; I118-S176 WeakPolarHBondContact CA-O 3.28Å; I118-S176 WeakPolarHBondContact CG2-O 3.45Å; I118-A210 HydrophobicContact CD1-CB 3.86Å; I118-I255 HydrophobicContact CD1-CD1 3.21Å; I118-I255 HydrophobicContact CG1-CD1 3.31Å
119W92.3Very high83.6Confident7 Ų751.4 Ų51.43%0.02727%0.266CS..EExtended strand (participates in β ladder)trans-107.1138.1165.2-68.881.3000111.8T99 F101 L110 V111 V121 R150 M175 S176T99-W119 HydrophobicContact CG2-CH2 4.13Å; T99-W119 HydrophobicContact CG2-CZ3 4.06Å; T99-W119 WeakPolarHBondContact OG1-CZ3 3.39Å; F101-W119 HydrophobicContact CE1-CZ3 4.46Å; F101-W119 AromaticContact CZ-CE3 3.95Å; F101-W119 HydrophobicContact CZ-CE3 3.95Å; F101-W119 HydrophobicContact CZ-CH2 4.47Å; F101-W119 AromaticContact CZ-CZ3 3.85Å; F101-W119 HydrophobicContact CZ-CZ3 3.85Å; L110-W119 HydrophobicContact CB-CH2 4.22Å; L110-W119 HydrophobicContact CB-CZ2 3.82Å; L110-W119 HydrophobicContact CD1-CH2 4.13Å; L110-W119 HydrophobicContact CD1-CZ2 4.45Å; L110-W119 PolarHBondContact O-NE1 2.87Å; V111-W119 HydrophobicContact CB-CG 4.39Å; V111-W119 HydrophobicContact CG1-CB 4Å; V111-W119 HydrophobicContact CG1-CG 4.11Å; V111-W119 HydrophobicContact CG2-CB 4.31Å; V111-W119 HydrophobicContact CG2-CD2 3.87Å; V111-W119 HydrophobicContact CG2-CE3 4.29Å; V111-W119 HydrophobicContact CG2-CG 3.89Å; W119-V121 HydrophobicContact CB-CG2 4.07Å; W119-R150 CarbonylContact C-O 3.59Å; W119-R150 WeakPolarHBondContact CA-O 3.34Å; W119-R150 HydrophobicContact CD2-CB 3.56Å; W119-R150 HydrophobicContact CE3-CB 3.49Å; W119-R150 VanDerWaalsContact CE3-CB 3.49Å; W119-R150 HydrophobicContact CG-CB 4.21Å; W119-R150 HydrophobicContact CH2-CB 3.99Å; W119-R150 HydrophobicContact CZ2-CB 4.06Å; W119-R150 HydrophobicContact CZ2-CG 4.36Å; W119-R150 HydrophobicContact CZ3-CB 3.69Å; W119-M175 CarbonylContact O-C 3.21Å; W119-M175 VanDerWaalsContact O-CA 3.26Å; W119-M175 WeakPolarHBondContact O-CA 3.35Å; W119-S176 VanDerWaalsContact CB-OG 3.27Å; W119-S176 WeakPolarHBondContact CB-OG 3.42Å; W119-S176 PolarHBondContact N-O 3.32Å; W119-S176 PolarHBondContact N-OG 3.05Å; W119-S176 VanDerWaalsContact N-OG 3.08Å; W119-S176 PolarHBondContact O-N 3.44Å
120L94Very high83.5Confident0 Ų048.2 Ų48.20%026%0.255CS..EExtended strand (participates in β ladder)trans-109.4109.4165.2-173.969.9000108.7W137 M140 V144 I149 R150 T151 G152 L173 I174 W205 I206L120-W137 HydrophobicContact CD2-CH2 4.04Å; L120-W137 HydrophobicContact CD2-CZ3 3.9Å; L120-W137 HydrophobicContact CG-CH2 4.08Å; L120-W137 HydrophobicContact CG-CZ3 4.27Å; L120-M140 HydrophobicContact CD2-CG 3.81Å; L120-M140 HydrophobicContact CD2-SD 4.35Å; L120-V144 HydrophobicContact CD2-CG1 4.41Å; L120-V144 HydrophobicContact CD2-CG2 4.33Å; L120-I149 HydrophobicContact CB-CG2 4.13Å; L120-R150 PolarHBondContact N-O 3.01Å; L120-T151 HydrophobicContact CB-CG2 4.38Å; L120-T151 CarbonylContact O-C 3.51Å; L120-T151 VanDerWaalsContact O-CA 3.29Å; L120-T151 WeakPolarHBondContact O-CA 3.39Å; L120-G152 PolarHBondContact O-N 3.5Å; L120-L173 HydrophobicContact CD1-CD1 3.85Å; L120-L173 HydrophobicContact CD1-CD2 3.88Å; L120-L173 HydrophobicContact CD1-CG 3.75Å; L120-L173 HydrophobicContact CD2-CD1 4.43Å; L120-L173 HydrophobicContact CG-CD1 3.92Å; L120-L173 HydrophobicContact CG-CG 4.38Å; L120-I174 CarbonylContact C-O 3.18Å; L120-W205 HydrophobicContact CD1-CZ3 4.3Å; L120-I206 HydrophobicContact CD1-CD1 3.74Å; L120-I206 HydrophobicContact CD1-CG1 4.18Å; L120-I206 HydrophobicContact CD2-CD1 3.66Å; L120-I206 HydrophobicContact CG-CD1 4.26Å
121V94.2Very high83.4Confident2 Ų248.6 Ų48.61%0.01226%0.257CS..EExtended strand (participates in β ladder)trans-114121.8-175.4-175.20000110.8F101 F107 V111 W119 V123 G152 F154 I174F101-V121 HydrophobicContact CD2-CG1 4.03Å; F101-V121 HydrophobicContact CE2-CB 4.33Å; F101-V121 HydrophobicContact CE2-CG1 3.7Å; F101-V121 HydrophobicContact CE2-CG2 3.69Å; F101-V121 HydrophobicContact CZ-CG2 4.16Å; F107-V121 HydrophobicContact CE2-CB 4.3Å; F107-V121 HydrophobicContact CE2-CG1 4.04Å; F107-V121 HydrophobicContact CE2-CG2 4.01Å; V111-V121 HydrophobicContact CG2-CG2 4.42Å; W119-V121 HydrophobicContact CB-CG2 4.07Å; V121-V123 HydrophobicContact CG1-CG2 4.35Å; V121-G152 CarbonylContact C-O 3.59Å; V121-G152 VanDerWaalsContact CA-O 3.3Å; V121-G152 WeakPolarHBondContact CA-O 3.44Å; V121-F154 HydrophobicContact CG1-CB 3.98Å; V121-I174 PolarHBondContact N-O 3.36Å; V121-I174 PolarHBondContact O-N 2.99Å
122Q93.7Very high83.5Confident5 Ų548.7 Ų48.72%0.02326%0.258CS..EExtended strand (participates in β ladder)trans-87.2112.9170.318016923.900109.7I124 V132 W137 G152 T153 F154 L173Q122-I124 HydrophobicContact CG-CG1 4.42Å; Q122-V132 VanDerWaalsContact NE2-N 3.14Å; Q122-V132 PolarHBondContact NE2-O 2.92Å; Q122-W137 HydrophobicContact CB-CD2 4.5Å; Q122-W137 HydrophobicContact CB-CE3 4.35Å; Q122-W137 HydrophobicContact CB-CH2 3.81Å; Q122-W137 HydrophobicContact CB-CZ2 3.96Å; Q122-W137 HydrophobicContact CB-CZ3 4.03Å; Q122-G152 PolarHBondContact N-O 3.21Å; Q122-T153 HydrophobicContact CB-CG2 4.4Å; Q122-T153 WeakPolarHBondContact O-CA 3.39Å; Q122-F154 PolarHBondContact O-N 3.09Å; Q122-L173 HydrophobicContact CB-CD1 4.2Å
123V93.6Very high83.7Confident0 Ų048.5 Ų48.50%027%0.266CS..EExtended strand (participates in β ladder)trans-92.4124.7175.6-176.70000109.4V121 F154 W168 S171 T172 I174V121-V123 HydrophobicContact CG1-CG2 4.35Å; V123-F154 CarbonylContact C-O 3.57Å; V123-F154 WeakPolarHBondContact CA-O 3.3Å; V123-F154 HydrophobicContact CG1-CD1 4.46Å; V123-F154 HydrophobicContact CG2-CB 4.29Å; V123-W168 HydrophobicContact CB-CE3 4.47Å; V123-W168 HydrophobicContact CG1-CB 4.02Å; V123-W168 HydrophobicContact CG1-CD2 4.08Å; V123-W168 HydrophobicContact CG1-CE3 3.72Å; V123-W168 HydrophobicContact CG1-CG 4.22Å; V123-W168 HydrophobicContact CG2-CD2 4.16Å; V123-W168 HydrophobicContact CG2-CE3 3.92Å; V123-W168 HydrophobicContact CG2-CH2 4.47Å; V123-W168 HydrophobicContact CG2-CZ3 4.08Å; V123-S171 CarbonylContact O-C 3.52Å; V123-S171 WeakPolarHBondContact O-CA 3.27Å; V123-T172 HydrophobicContact CB-CG2 4.11Å; V123-T172 HydrophobicContact CG2-CG2 4.5Å; V123-T172 PolarHBondContact N-O 2.91Å; V123-T172 PolarHBondContact O-N 3.01Å; V123-T172 VanDerWaalsContact O-N 3.07Å; V123-I174 HydrophobicContact CG2-CD1 3.46Å; V123-I174 VanDerWaalsContact CG2-CD1 3.46Å; V123-I174 HydrophobicContact CG2-CG1 3.99Å
124I92.9Very high83.9Confident38 Ų3851.7 Ų51.720%0.19528%0.275CS..EExtended strand (participates in β ladder)trans-106.7115.1178.6-53.1174.3000107.5Q122 P130 F154 C156Q122-I124 HydrophobicContact CG-CG1 4.42Å; I124-P130 HydrophobicContact CD1-CB 4.33Å; I124-P130 HydrophobicContact CG1-CB 4.27Å; I124-F154 PolarHBondContact N-O 3.38Å; I124-C156 WeakPolarHBondContact O-CB 3.41Å; I124-C156 PolarHBondContact O-N 3.33Å; I124-C156 PolarHBondContact O-SG 3.31Å
125A90.4Very high84.7Confident6 Ų655.1 Ų55.15%0.0529%0.291CS..  trans-74.3153.8177.700000111.5D127 R128 S171A125-D127 PolarHBondContact O-N 2.71Å; A125-R128 HydrophobicContact CB-CB 4.39Å; A125-R128 PolarHBondContact O-N 3.14Å; A125-S171 PolarHBondContact N-OG 3.06Å
126N80.4Confident85.9Confident70 Ų7056.7 Ų56.737%0.37430%0.299SS..THydrogen-bonded Turntrans-50.6-37.1-171.8-75.723.5000115.3C156 S157N126-C156 WeakPolarHBondContact OD1-CB 3.36Å; N126-C156 PolarHBondContact OD1-O 3.44Å; N126-S157 PolarHBondContact OD1-N 2.78Å
127D65.1Low87.1Confident157 Ų15751.3 Ų51.384%0.8427%0.27SS*.THydrogen-bonded Turntrans-114.918.4-170.5-53.1-43.9000112.4A125A125-D127 PolarHBondContact O-N 2.71Å
128R70.5Confident87.6Confident157 Ų15755.7 Ų55.759%0.59229%0.288SS*.SBendtrans-135.7148.2-170.8-63.2-171.3-176.3-136.2-0.8113.5A125 S171A125-R128 HydrophobicContact CB-CB 4.39Å; A125-R128 PolarHBondContact O-N 3.14Å; R128-S171 WeakPolarHBondContact CB-OG 3.4Å
129S82.9Confident87.6Confident96 Ų9661.4 Ų61.467%0.67131%0.312SS*.  trans-61.5154.3167.751.70000111.2S171S129-S171 WeakPolarHBondContact O-CB 3.4Å; S129-S171 PolarHBondContact O-OG 3.35Å
130P87.9Confident87.5Confident52 Ų5261.1 Ų61.134%0.33831%0.311SS..  trans-57.6142.9172.621.6-32.5000111.5I124 V132I124-P130 HydrophobicContact CD1-CB 4.33Å; I124-P130 HydrophobicContact CG1-CB 4.27Å; P130-V132 PolarHBondContact O-N 2.76Å
131L87.2Confident87.4Confident53 Ų5361.4 Ų61.428%0.27731%0.313SS..SBendtrans-58.5-47.3177.2-176.971.4000111.7L173 I197L131-L173 HydrophobicContact CD2-CB 4.09Å; L131-I197 HydrophobicContact CD1-CD1 3.84Å; L131-I197 HydrophobicContact CG-CD1 4.33Å; L131-I197 HydrophobicContact CG-CG2 4.36Å
132V89.3Confident87Confident2 Ų265.1 Ų65.11%0.01233%0.329CS..SBendtrans-100.6120.4174.7-174.70000107.9Q122 P130 H136 W137 I197 I202Q122-V132 VanDerWaalsContact NE2-N 3.14Å; Q122-V132 PolarHBondContact NE2-O 2.92Å; P130-V132 PolarHBondContact O-N 2.76Å; V132-H136 HydrophobicContact CG1-CB 3.58Å; V132-W137 HydrophobicContact CB-CE3 4.43Å; V132-W137 HydrophobicContact CG1-CB 4.09Å; V132-I197 HydrophobicContact CG2-CG2 3.9Å; V132-I202 HydrophobicContact CG2-CD1 3.99Å
133G89Confident86.7Confident34 Ų3465.7 Ų65.735%0.35133%0.331SS..  trans-61.7153.2177.600000112.2I135 H136 W137G133-I135 VanDerWaalsContact C-N 3.33Å; G133-I135 PolarHBondContact O-N 3.41Å; G133-I135 VanDerWaalsContact O-N 3.15Å; G133-H136 PolarHBondContact O-N 3.35Å; G133-W137 PolarHBondContact O-N 3.07Å
134K88.4Confident86.5Confident159 Ų15965.7 Ų65.769%0.69133%0.331SS*.Hα-helixtrans-47.6-48-172.2-171.3178.3177.3-175.90114.4H136 W137 E138K134-H136 PolarHBondContact O-N 3.04Å; K134-W137 WeakPolarHBondContact O-CB 3.49Å; K134-W137 PolarHBondContact O-N 3.06Å; K134-E138 WeakPolarHBondContact CE-OE1 3.25Å; K134-E138 WeakPolarHBondContact O-CG 3.28Å; K134-E138 PolarHBondContact O-N 3.33Å
135I88.6Confident86.2Confident112 Ų11265.6 Ų65.657%0.57433%0.334SS*.Hα-helixtrans-63.4-41.7179.9-59.8169.5000111.8G133 W137 K139G133-I135 VanDerWaalsContact C-N 3.33Å; G133-I135 PolarHBondContact O-N 3.41Å; G133-I135 VanDerWaalsContact O-N 3.15Å; I135-W137 VanDerWaalsContact C-N 3.34Å; I135-K139 WeakPolarHBondContact O-CG 3.28Å; I135-K139 PolarHBondContact O-N 2.9Å
136H90.5Very high85.9Confident98 Ų9867.5 Ų67.545%0.45434%0.34SS..Hα-helixtrans-72.6-31.6178.4-65.4102.7000111.3V132 G133 K134 M140 V199V132-H136 HydrophobicContact CG1-CB 3.58Å; G133-H136 PolarHBondContact O-N 3.35Å; K134-H136 PolarHBondContact O-N 3.04Å; H136-M140 WeakPolarHBondContact O-CB 3.43Å; H136-M140 PolarHBondContact O-N 3.16Å; H136-V199 HydrophobicContact CB-CG2 4.44Å
137W91.3Very high86.2Confident15 Ų1564.6 Ų64.66%0.05732%0.324CS..Hα-helixtrans-68-45.8174.7-178.3-113.3000111.3L120 Q122 V132 G133 K134 I135 K139 M140 V141 G152 T153 L173L120-W137 HydrophobicContact CD2-CH2 4.04Å; L120-W137 HydrophobicContact CD2-CZ3 3.9Å; L120-W137 HydrophobicContact CG-CH2 4.08Å; L120-W137 HydrophobicContact CG-CZ3 4.27Å; Q122-W137 HydrophobicContact CB-CD2 4.5Å; Q122-W137 HydrophobicContact CB-CE3 4.35Å; Q122-W137 HydrophobicContact CB-CH2 3.81Å; Q122-W137 HydrophobicContact CB-CZ2 3.96Å; Q122-W137 HydrophobicContact CB-CZ3 4.03Å; V132-W137 HydrophobicContact CB-CE3 4.43Å; V132-W137 HydrophobicContact CG1-CB 4.09Å; G133-W137 PolarHBondContact O-N 3.07Å; K134-W137 WeakPolarHBondContact O-CB 3.49Å; K134-W137 PolarHBondContact O-N 3.06Å; I135-W137 VanDerWaalsContact C-N 3.34Å; W137-K139 VanDerWaalsContact C-N 3.31Å; W137-K139 PolarHBondContact O-N 2.68Å; W137-M140 HydrophobicContact CE3-CB 4.33Å; W137-M140 HydrophobicContact CE3-CG 4.38Å; W137-M140 HydrophobicContact CZ3-CG 4.32Å; W137-M140 CarbonylContact O-C 3.47Å; W137-M140 WeakPolarHBondContact O-CA 3.48Å; W137-M140 WeakPolarHBondContact O-CB 3.15Å; W137-M140 PolarHBondContact O-N 3.08Å; W137-V141 HydrophobicContact CD2-CG2 4Å; W137-V141 HydrophobicContact CG-CG2 4.24Å; W137-V141 HydrophobicContact CZ2-CG2 3.98Å; W137-V141 WeakPolarHBondContact O-CB 3.49Å; W137-V141 VanDerWaalsContact O-CG2 3.23Å; W137-V141 WeakPolarHBondContact O-CG2 3.27Å; W137-V141 PolarHBondContact O-N 3.42Å; W137-G152 WeakPolarHBondContact CZ2-O 3.39Å; W137-T153 HydrophobicContact CZ2-CG2 4.29Å; W137-L173 HydrophobicContact CH2-CD1 4.09Å; W137-L173 HydrophobicContact CZ3-CD1 3.65Å
138E89.5Confident87Confident101 Ų10159.6 Ų59.647%0.47231%0.309SS..Hα-helixtrans-59.3-42.5175.1-73.2167.8-172.200111.7K134 M140 V141 K142K134-E138 WeakPolarHBondContact CE-OE1 3.25Å; K134-E138 WeakPolarHBondContact O-CG 3.28Å; K134-E138 PolarHBondContact O-N 3.33Å; E138-M140 VanDerWaalsContact C-N 3.35Å; E138-M140 PolarHBondContact O-N 2.87Å; E138-V141 PolarHBondContact O-N 3.44Å; E138-K142 WeakPolarHBondContact O-CB 3.4Å; E138-K142 PolarHBondContact O-N 3.08Å
139K88.3Confident87.9Confident126 Ų12652.7 Ų52.755%0.54828%0.284SS..Hα-helixtrans-61.5-41.6172.3-72.4177.3-177.9-179.60112.3I135 W137 K143I135-K139 WeakPolarHBondContact O-CG 3.28Å; I135-K139 PolarHBondContact O-N 2.9Å; W137-K139 VanDerWaalsContact C-N 3.31Å; W137-K139 PolarHBondContact O-N 2.68Å; K139-K143 WeakPolarHBondContact O-CB 3.46Å; K139-K143 PolarHBondContact O-N 3.27Å; K139-K143 VanDerWaalsContact O-N 3.09Å
140M90.4Very high88.3Confident1 Ų153.2 Ų53.21%0.00527%0.271CS..Hα-helixtrans-62.9-50.8176.5-17961.971.200111L120 H136 W137 E138 K142 K143 V144 V199 I202 I206L120-M140 HydrophobicContact CD2-CG 3.81Å; L120-M140 HydrophobicContact CD2-SD 4.35Å; H136-M140 WeakPolarHBondContact O-CB 3.43Å; H136-M140 PolarHBondContact O-N 3.16Å; W137-M140 HydrophobicContact CE3-CB 4.33Å; W137-M140 HydrophobicContact CE3-CG 4.38Å; W137-M140 HydrophobicContact CZ3-CG 4.32Å; W137-M140 CarbonylContact O-C 3.47Å; W137-M140 WeakPolarHBondContact O-CA 3.48Å; W137-M140 WeakPolarHBondContact O-CB 3.15Å; W137-M140 PolarHBondContact O-N 3.08Å; E138-M140 VanDerWaalsContact C-N 3.35Å; E138-M140 PolarHBondContact O-N 2.87Å; M140-K142 VanDerWaalsContact C-N 3.32Å; M140-K142 PolarHBondContact O-N 3.16Å; M140-K143 WeakPolarHBondContact O-CA 3.48Å; M140-K143 WeakPolarHBondContact O-CB 3.36Å; M140-K143 PolarHBondContact O-N 3.35Å; M140-V144 HydrophobicContact CG-CG1 4.3Å; M140-V144 WeakPolarHBondContact O-CG2 3.29Å; M140-V144 PolarHBondContact O-N 2.77Å; M140-V144 HydrophobicContact SD-CG1 3.65Å; M140-V199 HydrophobicContact CE-CB 4.02Å; M140-V199 HydrophobicContact CE-CG1 3.71Å; M140-V199 HydrophobicContact CE-CG2 4.27Å; M140-V199 WeakPolarHBondContact CE-O 3.47Å; M140-V199 HydrophobicContact SD-CG1 4.17Å; M140-I202 HydrophobicContact CE-CB 3.52Å; M140-I202 HydrophobicContact CE-CD1 4.1Å; M140-I202 HydrophobicContact CE-CG1 4.41Å; M140-I202 HydrophobicContact CE-CG2 3.48Å; M140-I202 VanDerWaalsContact CE-CG2 3.48Å; M140-I202 HydrophobicContact SD-CG2 4.3Å; M140-I206 HydrophobicContact SD-CD1 4.43Å
141V90.6Very high88.6Confident6 Ų651.1 Ų51.14%0.03626%0.258CS..Hα-helixtrans-54.2-50179.7168.80000110.2V96 W137 E138 K143 V144 S145 T151V96-V141 HydrophobicContact CB-CG1 4.23Å; V96-V141 HydrophobicContact CG1-CG1 3.54Å; W137-V141 HydrophobicContact CD2-CG2 4Å; W137-V141 HydrophobicContact CG-CG2 4.24Å; W137-V141 HydrophobicContact CZ2-CG2 3.98Å; W137-V141 WeakPolarHBondContact O-CB 3.49Å; W137-V141 VanDerWaalsContact O-CG2 3.23Å; W137-V141 WeakPolarHBondContact O-CG2 3.27Å; W137-V141 PolarHBondContact O-N 3.42Å; E138-V141 PolarHBondContact O-N 3.44Å; V141-K143 VanDerWaalsContact C-N 3.29Å; V141-K143 PolarHBondContact O-N 3.08Å; V141-V144 PolarHBondContact O-N 2.73Å; V141-S145 WeakPolarHBondContact O-CB 3.32Å; V141-S145 PolarHBondContact O-N 3.29Å; V141-S145 PolarHBondContact O-OG 3.41Å; V141-S145 VanDerWaalsContact O-OG 3.04Å; V141-T151 HydrophobicContact CB-CG2 4.43Å; V141-T151 HydrophobicContact CG1-CG2 4.43Å; V141-T151 HydrophobicContact CG2-CG2 4.05Å
142K86.9Confident88.8Confident79 Ų7948.6 Ų48.634%0.34324%0.244SC..Hα-helixtrans-60.4-36.1176.1175.8170.9160.9169.50113.1S93 E138 M140 S145S93-K142 WeakPolarHBondContact OG-CE 3.22Å; S93-K142 PolarHBondContact OG-NZ 2.76Å; E138-K142 WeakPolarHBondContact O-CB 3.4Å; E138-K142 PolarHBondContact O-N 3.08Å; M140-K142 VanDerWaalsContact C-N 3.32Å; M140-K142 PolarHBondContact O-N 3.16Å; K142-S145 PolarHBondContact O-OG 3.34Å
143K86.9Confident89Confident18 Ų1849.6 Ų49.68%0.07825%0.251CS..Hα-helixtrans-73.4-46.1179.8-170.4173.1-172.7175.50112.1K139 M140 V141 F147 V199 E200 F203K139-K143 WeakPolarHBondContact O-CB 3.46Å; K139-K143 PolarHBondContact O-N 3.27Å; K139-K143 VanDerWaalsContact O-N 3.09Å; M140-K143 WeakPolarHBondContact O-CA 3.48Å; M140-K143 WeakPolarHBondContact O-CB 3.36Å; M140-K143 PolarHBondContact O-N 3.35Å; V141-K143 VanDerWaalsContact C-N 3.29Å; V141-K143 PolarHBondContact O-N 3.08Å; K143-F147 WeakPolarHBondContact O-CD2 3.5Å; K143-V199 HydrophobicContact CD-CG1 4.06Å; K143-E200 IonicContact NZ-OE1 3.94Å; K143-E200 PolarHBondContact NZ-OE1 2.94Å; K143-E200 IonicContact NZ-OE2 2.95Å; K143-E200 PolarHBondContact NZ-OE2 3.06Å; K143-F203 HydrophobicContact CD-CB 4.49Å; K143-F203 HydrophobicContact CD-CD2 4.08Å; K143-F203 HydrophobicContact CD-CG 4.14Å; K143-F203 HydrophobicContact CG-CD2 4.17Å; K143-F203 HydrophobicContact CG-CE2 4.23Å
144V88.8Confident89.2Confident0 Ų048 Ų480%023%0.234CC..Hα-helixtrans-80-29-174.9-590000112.7L120 M140 V141 R146 F147 I149 T151 F203 I206L120-V144 HydrophobicContact CD2-CG1 4.41Å; L120-V144 HydrophobicContact CD2-CG2 4.33Å; M140-V144 HydrophobicContact CG-CG1 4.3Å; M140-V144 WeakPolarHBondContact O-CG2 3.29Å; M140-V144 PolarHBondContact O-N 2.77Å; M140-V144 HydrophobicContact SD-CG1 3.65Å; V141-V144 PolarHBondContact O-N 2.73Å; V144-R146 PolarHBondContact O-N 3.13Å; V144-F147 PolarHBondContact O-N 2.99Å; V144-I149 HydrophobicContact CB-CB 3.99Å; V144-I149 HydrophobicContact CB-CD1 4.18Å; V144-I149 HydrophobicContact CB-CG2 4.18Å; V144-I149 HydrophobicContact CG2-CB 4.37Å; V144-I149 HydrophobicContact CG2-CG2 4.28Å; V144-I149 WeakPolarHBondContact O-CB 3.45Å; V144-I149 PolarHBondContact O-N 2.91Å; V144-T151 HydrophobicContact CG2-CG2 3.32Å; V144-F203 HydrophobicContact CG1-CD2 4.06Å; V144-F203 HydrophobicContact CG1-CE2 4.42Å; V144-I206 HydrophobicContact CG1-CD1 3.93Å
145S87.1Confident89.4Confident36 Ų3643.3 Ų43.325%0.25222%0.217SC..Hα-helixtrans-62.6-30.2178.664.70000112.8V141 K142 F147 G148V141-S145 WeakPolarHBondContact O-CB 3.32Å; V141-S145 PolarHBondContact O-N 3.29Å; V141-S145 PolarHBondContact O-OG 3.41Å; V141-S145 VanDerWaalsContact O-OG 3.04Å; K142-S145 PolarHBondContact O-OG 3.34Å; S145-F147 PolarHBondContact O-N 3.45Å; S145-G148 PolarHBondContact O-N 3.33Å
146R84.1Confident89.6Confident46 Ų4638 Ų3817%0.17419%0.189CC..THydrogen-bonded Turntrans-57.4-28.7173.7-69.6176.9174.4-178.7-6.9112.6E89 V144E89-R146 PolarHBondContact O-NH2 3.47Å; E89-R146 VanDerWaalsContact O-NH2 3.08Å; V144-R146 PolarHBondContact O-N 3.13Å
147F86.2Confident89.5Confident8 Ų836.6 Ų36.64%0.03519%0.191CC..THydrogen-bonded Turntrans-94.712.9178.1-58.6-71.9000113.4E53 C54 K143 V144 S145 I149 F203 A248 F249 A252 L309E53-F147 VanDerWaalsContact O-CZ 3.22Å; E53-F147 WeakPolarHBondContact O-CZ 3.41Å; C54-F147 WeakPolarHBondContact O-CE1 3.5Å; K143-F147 WeakPolarHBondContact O-CD2 3.5Å; V144-F147 PolarHBondContact O-N 2.99Å; S145-F147 PolarHBondContact O-N 3.45Å; F147-I149 HydrophobicContact CB-CD1 4.2Å; F147-I149 HydrophobicContact CB-CG1 4.24Å; F147-I149 PolarHBondContact O-N 3.08Å; F147-F203 AromaticContact CD2-CE2 3.8Å; F147-F203 HydrophobicContact CD2-CE2 3.8Å; F147-F203 AromaticContact CD2-CZ 3.92Å; F147-F203 HydrophobicContact CD2-CZ 3.92Å; F147-F203 AromaticContact CE2-CE2 3.66Å; F147-F203 HydrophobicContact CE2-CE2 3.66Å; F147-F203 AromaticContact CE2-CZ 3.41Å; F147-F203 HydrophobicContact CE2-CZ 3.41Å; F147-F203 VanDerWaalsContact CE2-CZ 3.41Å; F147-F203 HydrophobicContact CZ-CZ 4.04Å; F147-A248 HydrophobicContact CD1-CB 4.06Å; F147-A248 HydrophobicContact CE1-CB 3.97Å; F147-A248 HydrophobicContact CG-CB 4.37Å; F147-A248 HydrophobicContact CZ-CB 4.21Å; F147-F249 HydrophobicContact CD1-CB 4.03Å; F147-F249 HydrophobicContact CE1-CB 4.02Å; F147-A252 HydrophobicContact CB-CB 4.19Å; F147-A252 WeakPolarHBondContact O-CB 3.28Å; F147-L309 HydrophobicContact CB-CD1 4.42Å; F147-L309 HydrophobicContact CD1-CD1 3.97Å
148G83.3Confident89.4Confident52 Ų5239 Ų3954%0.53621%0.209SC..THydrogen-bonded Turntrans67.615-176.100000113.8S145 R150S145-G148 PolarHBondContact O-N 3.33Å; G148-R150 PolarHBondContact O-N 3.41Å
149I89.3Confident89.5Confident12 Ų1235.8 Ų35.86%0.06220%0.196CC..  trans-79117.8173.5-59.5169.7000107.5I118 L120 V144 F147 I206I118-I149 HydrophobicContact CB-CG1 4.19Å; I118-I149 HydrophobicContact CB-CG2 4.16Å; I118-I149 HydrophobicContact CD1-CD1 4.48Å; I118-I149 HydrophobicContact CD1-CG1 4.19Å; I118-I149 HydrophobicContact CG2-CG1 4.35Å; I118-I149 HydrophobicContact CG2-CG2 3.79Å; L120-I149 HydrophobicContact CB-CG2 4.13Å; V144-I149 HydrophobicContact CB-CB 3.99Å; V144-I149 HydrophobicContact CB-CD1 4.18Å; V144-I149 HydrophobicContact CB-CG2 4.18Å; V144-I149 HydrophobicContact CG2-CB 4.37Å; V144-I149 HydrophobicContact CG2-CG2 4.28Å; V144-I149 WeakPolarHBondContact O-CB 3.45Å; V144-I149 PolarHBondContact O-N 2.91Å; F147-I149 HydrophobicContact CB-CD1 4.2Å; F147-I149 HydrophobicContact CB-CG1 4.24Å; F147-I149 PolarHBondContact O-N 3.08Å; I149-I206 HydrophobicContact CD1-CG2 3.62Å
150R91Very high89.6Confident107 Ų10732.1 Ų32.140%0.40419%0.185SC..EExtended strand (participates in β ladder)trans-75.7145.5179.1-62.8-179.8-176.21741.7109.2I118 W119 L120 G148I118-R150 PolarHBondContact O-N 2.82Å; W119-R150 CarbonylContact C-O 3.59Å; W119-R150 WeakPolarHBondContact CA-O 3.34Å; W119-R150 HydrophobicContact CD2-CB 3.56Å; W119-R150 HydrophobicContact CE3-CB 3.49Å; W119-R150 VanDerWaalsContact CE3-CB 3.49Å; W119-R150 HydrophobicContact CG-CB 4.21Å; W119-R150 HydrophobicContact CH2-CB 3.99Å; W119-R150 HydrophobicContact CZ2-CB 4.06Å; W119-R150 HydrophobicContact CZ2-CG 4.36Å; W119-R150 HydrophobicContact CZ3-CB 3.69Å; L120-R150 PolarHBondContact N-O 3.01Å; G148-R150 PolarHBondContact O-N 3.41Å
151T93Very high89.6Confident8 Ų841.7 Ų41.75%0.04922%0.221CC..EExtended strand (participates in β ladder)trans-120.8146.5179.763.80000111.1S98 T99 L120 V141 V144S98-T151 WeakPolarHBondContact CB-OG1 3.46Å; T99-T151 PolarHBondContact N-O 3.33Å; T99-T151 PolarHBondContact OG1-O 2.97Å; L120-T151 HydrophobicContact CB-CG2 4.38Å; L120-T151 CarbonylContact O-C 3.51Å; L120-T151 VanDerWaalsContact O-CA 3.29Å; L120-T151 WeakPolarHBondContact O-CA 3.39Å; V141-T151 HydrophobicContact CB-CG2 4.43Å; V141-T151 HydrophobicContact CG1-CG2 4.43Å; V141-T151 HydrophobicContact CG2-CG2 4.05Å; V144-T151 HydrophobicContact CG2-CG2 3.32Å
152G93.4Very high89.7Confident0 Ų041.5 Ų41.50%022%0.219CC..EExtended strand (participates in β ladder)trans-150.5161.717800000113.3T99 L120 V121 Q122 W137T99-G152 CarbonylContact O-C 3.6Å; T99-G152 WeakPolarHBondContact O-CA 3.37Å; T99-G152 VanDerWaalsContact OG1-CA 3.24Å; T99-G152 WeakPolarHBondContact OG1-CA 3.18Å; L120-G152 PolarHBondContact O-N 3.5Å; V121-G152 CarbonylContact C-O 3.59Å; V121-G152 VanDerWaalsContact CA-O 3.3Å; V121-G152 WeakPolarHBondContact CA-O 3.44Å; Q122-G152 PolarHBondContact N-O 3.21Å; W137-G152 WeakPolarHBondContact CZ2-O 3.39Å
153T92.9Very high89.9Confident24 Ų2438 Ų3815%0.14721%0.205CC..EExtended strand (participates in β ladder)trans-123.3129.4175.353.40000108.2T99 N100 F101 Q122 W137T99-T153 PolarHBondContact O-N 2.6Å; T99-T153 PolarHBondContact O-OG1 2.71Å; N100-T153 PolarHBondContact OD1-O 3.28Å; F101-T153 VanDerWaalsContact CD2-O 3.31Å; F101-T153 WeakPolarHBondContact CD2-O 3.48Å; F101-T153 PolarHBondContact N-O 2.96Å; Q122-T153 HydrophobicContact CB-CG2 4.4Å; Q122-T153 WeakPolarHBondContact O-CA 3.39Å; W137-T153 HydrophobicContact CZ2-CG2 4.29Å
154F93.3Very high90.1Very high0 Ų046.8 Ų46.80%024%0.238CC..EExtended strand (participates in β ladder)trans-117.8114.2176.4-169.7-78.5000108.1F101 F107 V121 Q122 V123 I124 D159 Y162 C163 W168F101-F154 HydrophobicContact CB-CB 4.45Å; F101-F154 HydrophobicContact CB-CD2 3.53Å; F101-F154 HydrophobicContact CB-CE2 4.16Å; F101-F154 HydrophobicContact CB-CG 4.37Å; F101-F154 HydrophobicContact CD2-CB 4.12Å; F101-F154 HydrophobicContact CD2-CD2 4.26Å; F101-F154 HydrophobicContact CG-CD2 4.15Å; F107-F154 HydrophobicContact CB-CD2 4.17Å; F107-F154 HydrophobicContact CB-CE2 4.02Å; F107-F154 AromaticContact CD2-CD2 4Å; F107-F154 HydrophobicContact CD2-CD2 4Å; F107-F154 HydrophobicContact CG-CD2 4.32Å; F107-F154 HydrophobicContact CG-CE2 4.47Å; V121-F154 HydrophobicContact CG1-CB 3.98Å; Q122-F154 PolarHBondContact O-N 3.09Å; V123-F154 CarbonylContact C-O 3.57Å; V123-F154 WeakPolarHBondContact CA-O 3.3Å; V123-F154 HydrophobicContact CG1-CD1 4.46Å; V123-F154 HydrophobicContact CG2-CB 4.29Å; I124-F154 PolarHBondContact N-O 3.38Å; F154-D159 HydrophobicContact CZ-CB 4.32Å; F154-Y162 HydrophobicContact CE1-CD1 4.25Å; F154-Y162 HydrophobicContact CE2-CD1 4.2Å; F154-Y162 HydrophobicContact CE2-CE1 4.45Å; F154-Y162 AromaticContact CZ-CD1 3.69Å; F154-Y162 HydrophobicContact CZ-CD1 3.69Å; F154-Y162 HydrophobicContact CZ-CE1 4.34Å; F154-C163 VanDerWaalsContact CE1-SG 3.53Å; F154-W168 HydrophobicContact CD1-CZ3 4.34Å
155N92.7Very high90.2Very high60 Ų6054.8 Ų54.832%0.32127%0.268SS..EExtended strand (participates in β ladder)trans-94.4114.9176.4-170.8-13.2000109.4S157 S158N155-S157 PolarHBondContact O-N 3.23Å; N155-S157 WeakPolarHBondContact OD1-CB 3.46Å; N155-S157 PolarHBondContact OD1-N 3.38Å; N155-S157 PolarHBondContact OD1-OG 3.22Å; N155-S158 PolarHBondContact O-N 3.1Å; N155-S158 PolarHBondContact O-OG 3.13Å
156C92.1Very high90.4Very high1 Ų157.8 Ų57.81%0.00727%0.273CS..THydrogen-bonded Turntrans-60.8-15.8177.2-680000113.2I124 N126 S158 D159 P160 C163I124-C156 WeakPolarHBondContact O-CB 3.41Å; I124-C156 PolarHBondContact O-N 3.33Å; I124-C156 PolarHBondContact O-SG 3.31Å; N126-C156 WeakPolarHBondContact OD1-CB 3.36Å; N126-C156 PolarHBondContact OD1-O 3.44Å; C156-S158 PolarHBondContact O-N 2.89Å; C156-D159 CarbonylContact O-C 3.47Å; C156-D159 PolarHBondContact O-N 3.4Å; C156-P160 VanDerWaalsContact O-CA 3.32Å; C156-P160 WeakPolarHBondContact O-CA 3.01Å; C156-P160 WeakPolarHBondContact O-CD 3.48Å; C156-C163 WeakPolarHBondContact CA-SG 3.48Å; C156-C163 HydrophobicContact CB-CB 3.79Å; C156-C163 WeakPolarHBondContact CB-SG 3.28Å; C156-C163 WeakPolarHBondContact SG-CB 3.26Å; C156-C163 CovalentContact SG-SG 2.04Å; C156-C163 PolarHBondContact SG-SG 3.14Å
157S89.6Confident90.6Very high69 Ų6957.9 Ų57.948%0.48329%0.289SS..THydrogen-bonded Turntrans-63.1-28.4173.7-50.30000112.2N126 N155N126-S157 PolarHBondContact OD1-N 2.78Å; N155-S157 PolarHBondContact O-N 3.23Å; N155-S157 WeakPolarHBondContact OD1-CB 3.46Å; N155-S157 PolarHBondContact OD1-N 3.38Å; N155-S157 PolarHBondContact OD1-OG 3.22Å
158S88.8Confident90.8Very high64 Ų6458 Ų5845%0.44829%0.289SS..THydrogen-bonded Turntrans-76-40.5176.465.60000112.1S102 N155 C156S102-S158 WeakPolarHBondContact O-CB 3.47Å; S102-S158 PolarHBondContact O-OG 3.16Å; N155-S158 PolarHBondContact O-N 3.1Å; N155-S158 PolarHBondContact O-OG 3.13Å; C156-S158 PolarHBondContact O-N 2.89Å
159D91Very high91Very high35 Ų3560.9 Ų60.919%0.18730%0.296CS..  trans-139.486.4177.2-166.7-17.4000112.6F154 C156 R161 Y162 C163F154-D159 HydrophobicContact CZ-CB 4.32Å; C156-D159 CarbonylContact O-C 3.47Å; C156-D159 PolarHBondContact O-N 3.4Å; D159-R161 VanDerWaalsContact C-N 3.3Å; D159-R161 PolarHBondContact O-N 2.66Å; D159-R161 PolarHBondContact OD1-N 3.33Å; D159-Y162 PolarHBondContact OD1-N 3.45Å; D159-C163 PolarHBondContact O-N 3.23Å
160P89.5Confident91Very high49 Ų4967.7 Ų67.732%0.31832%0.321SS..Hα-helixtrans-73.5-22.6-178.627-34.1000112.8C156 R164C156-P160 VanDerWaalsContact O-CA 3.32Å; C156-P160 WeakPolarHBondContact O-CA 3.01Å; C156-P160 WeakPolarHBondContact O-CD 3.48Å; P160-R164 WeakPolarHBondContact O-CG 3.47Å; P160-R164 PolarHBondContact O-N 2.78Å
161R91.4Very high91Very high202 Ų20263.2 Ų63.276%0.76231%0.306SS*.Hα-helixtrans-70.3-43.2179.7-69.7-177.7-178.5173.81.5109.9D159 R164 R165D159-R161 VanDerWaalsContact C-N 3.3Å; D159-R161 PolarHBondContact O-N 2.66Å; D159-R161 PolarHBondContact OD1-N 3.33Å; R161-R164 PolarHBondContact O-N 2.92Å; R161-R165 PolarHBondContact O-N 3.09Å
162Y91.8Very high90.9Very high1 Ų163 Ų630%0.00431%0.305CS..Hα-helixtrans-61.4-48.9176.6-174.6-115.1000112.3E104 F107 E112 F154 D159 R164 R165 R166 W168E104-Y162 HydrophobicContact CB-CD1 4.45Å; E104-Y162 HydrophobicContact CB-CD2 3.73Å; E104-Y162 HydrophobicContact CB-CE2 4.2Å; E104-Y162 HydrophobicContact CB-CG 3.87Å; E104-Y162 HydrophobicContact CG-CD2 3.45Å; E104-Y162 VanDerWaalsContact CG-CD2 3.45Å; E104-Y162 HydrophobicContact CG-CE2 3.56Å; E104-Y162 HydrophobicContact CG-CG 4.13Å; E104-Y162 WeakPolarHBondContact OE1-CD2 3.01Å; E104-Y162 WeakPolarHBondContact OE1-CE2 3.46Å; F107-Y162 HydrophobicContact CD1-CE1 4.11Å; F107-Y162 WeakPolarHBondContact CD1-OH 3.47Å; E112-Y162 PolarHBondContact OE1-OH 2.86Å; E112-Y162 VanDerWaalsContact OE1-OH 3.11Å; F154-Y162 HydrophobicContact CE1-CD1 4.25Å; F154-Y162 HydrophobicContact CE2-CD1 4.2Å; F154-Y162 HydrophobicContact CE2-CE1 4.45Å; F154-Y162 AromaticContact CZ-CD1 3.69Å; F154-Y162 HydrophobicContact CZ-CD1 3.69Å; F154-Y162 HydrophobicContact CZ-CE1 4.34Å; D159-Y162 PolarHBondContact OD1-N 3.45Å; Y162-R164 VanDerWaalsContact C-N 3.31Å; Y162-R164 PolarHBondContact O-N 2.97Å; Y162-R165 WeakPolarHBondContact O-CB 3.31Å; Y162-R165 PolarHBondContact O-N 2.96Å; Y162-R165 VanDerWaalsContact O-N 3.11Å; Y162-R166 HydrophobicContact CD1-CG 4.49Å; Y162-R166 HydrophobicContact CD2-CG 4.36Å; Y162-R166 HydrophobicContact CE1-CG 4.09Å; Y162-R166 HydrophobicContact CE2-CG 3.93Å; Y162-R166 PolarHBondContact O-N 3.32Å; Y162-R166 PolarHBondContact OH-NE 2.76Å; Y162-R166 PolarHBondContact OH-NH2 2.97Å; Y162-R166 VanDerWaalsContact OH-NH2 3.13Å; Y162-W168 HydrophobicContact CD1-CZ3 4.01Å; Y162-W168 AromaticContact CE1-CH2 3.81Å; Y162-W168 HydrophobicContact CE1-CH2 3.81Å; Y162-W168 AromaticContact CE1-CZ3 3.61Å; Y162-W168 HydrophobicContact CE1-CZ3 3.61Å
163C91.6Very high91Very high5 Ų563.1 Ų63.13%0.03431%0.305CS..Hα-helixtrans-59.6-39.4178.3-71.90000112.7F154 C156 D159 R166 G167 W168F154-C163 VanDerWaalsContact CE1-SG 3.53Å; C156-C163 WeakPolarHBondContact CA-SG 3.48Å; C156-C163 HydrophobicContact CB-CB 3.79Å; C156-C163 WeakPolarHBondContact CB-SG 3.28Å; C156-C163 WeakPolarHBondContact SG-CB 3.26Å; C156-C163 CovalentContact SG-SG 2.04Å; C156-C163 PolarHBondContact SG-SG 3.14Å; D159-C163 PolarHBondContact O-N 3.23Å; C163-R166 PolarHBondContact O-N 3.46Å; C163-G167 PolarHBondContact O-N 3.42Å; C163-W168 HydrophobicContact CB-CB 4.14Å; C163-W168 PolarHBondContact O-N 2.86Å
164R91Very high91Very high204 Ų20462 Ų6277%0.7730%0.299SS*.Hα-helixtrans-65.6-40.3175.5-73.3179.7-171.7-172.23.2112.4P160 R161 Y162 R166 G167P160-R164 WeakPolarHBondContact O-CG 3.47Å; P160-R164 PolarHBondContact O-N 2.78Å; R161-R164 PolarHBondContact O-N 2.92Å; Y162-R164 VanDerWaalsContact C-N 3.31Å; Y162-R164 PolarHBondContact O-N 2.97Å; R164-R166 VanDerWaalsContact C-N 3.32Å; R164-R166 PolarHBondContact O-N 2.76Å; R164-G167 PolarHBondContact O-N 3.22Å
165R92.1Very high91Very high168 Ų16862 Ų6263%0.63430%0.299SS*.Hα-helixtrans-63.2-38.7176.5-169.3-171.5-63.4149.43.7111.8E104 R161 Y162E104-R165 IonicContact OE1-NH1 3.13Å; E104-R165 PolarHBondContact OE1-NH1 3.11Å; E104-R165 IonicContact OE2-NH1 3.89Å; E104-R165 PolarHBondContact OE2-NH1 3.17Å; E104-R165 VanDerWaalsContact OE2-NH1 3.13Å; R161-R165 PolarHBondContact O-N 3.09Å; Y162-R165 WeakPolarHBondContact O-CB 3.31Å; Y162-R165 PolarHBondContact O-N 2.96Å; Y162-R165 VanDerWaalsContact O-N 3.11Å
166R89.5Confident90.9Very high98 Ų9859.3 Ų59.337%0.3728%0.284SS..Hα-helixtrans-82.8-10.4178.9-67.4-67.4-172.7172.31.9114.2E112 Y162 C163 R164 W168E112-R166 IonicContact OE1-CZ 3.83Å; E112-R166 VanDerWaalsContact OE1-CZ 3.29Å; E112-R166 IonicContact OE1-NE 3.8Å; E112-R166 IonicContact OE1-NH1 2.76Å; E112-R166 IonicContact OE1-NH2 2.81Å; E112-R166 PolarHBondContact OE1-NH2 3.11Å; E112-R166 IonicContact OE2-CZ 2.82Å; E112-R166 IonicContact OE2-NH2 3.29Å; E112-R166 PolarHBondContact OE2-NH2 2.71Å; Y162-R166 HydrophobicContact CD1-CG 4.49Å; Y162-R166 HydrophobicContact CD2-CG 4.36Å; Y162-R166 HydrophobicContact CE1-CG 4.09Å; Y162-R166 HydrophobicContact CE2-CG 3.93Å; Y162-R166 PolarHBondContact O-N 3.32Å; Y162-R166 PolarHBondContact OH-NE 2.76Å; Y162-R166 PolarHBondContact OH-NH2 2.97Å; Y162-R166 VanDerWaalsContact OH-NH2 3.13Å; C163-R166 PolarHBondContact O-N 3.46Å; R164-R166 VanDerWaalsContact C-N 3.32Å; R164-R166 PolarHBondContact O-N 2.76Å; R166-W168 HydrophobicContact CB-CD2 3.85Å; R166-W168 HydrophobicContact CB-CE3 4.32Å; R166-W168 HydrophobicContact CB-CG 4.19Å; R166-W168 HydrophobicContact CB-CZ2 4.07Å; R166-W168 HydrophobicContact CG-CH2 4.36Å; R166-W168 HydrophobicContact CG-CZ2 4.19Å
167G90Very high90.6Very high48 Ų4859.5 Ų59.550%0.49529%0.286SS..THydrogen-bonded Turntrans81.714.2-178.300000114.8C163 R164 V169C163-G167 PolarHBondContact O-N 3.42Å; R164-G167 PolarHBondContact O-N 3.22Å; G167-V169 PolarHBondContact O-N 3.16Å
168W90.6Very high90.2Very high12 Ų1256.8 Ų56.85%0.04527%0.266CS..  trans-79.765.8178.7-57.2-22000111.9F107 V123 F154 Y162 C163 R166 I174 L189 E191F107-W168 HydrophobicContact CE1-CH2 4.06Å; F107-W168 HydrophobicContact CE2-CH2 4.38Å; F107-W168 AromaticContact CZ-CH2 3.89Å; F107-W168 HydrophobicContact CZ-CH2 3.89Å; V123-W168 HydrophobicContact CB-CE3 4.47Å; V123-W168 HydrophobicContact CG1-CB 4.02Å; V123-W168 HydrophobicContact CG1-CD2 4.08Å; V123-W168 HydrophobicContact CG1-CE3 3.72Å; V123-W168 HydrophobicContact CG1-CG 4.22Å; V123-W168 HydrophobicContact CG2-CD2 4.16Å; V123-W168 HydrophobicContact CG2-CE3 3.92Å; V123-W168 HydrophobicContact CG2-CH2 4.47Å; V123-W168 HydrophobicContact CG2-CZ3 4.08Å; F154-W168 HydrophobicContact CD1-CZ3 4.34Å; Y162-W168 HydrophobicContact CD1-CZ3 4.01Å; Y162-W168 AromaticContact CE1-CH2 3.81Å; Y162-W168 HydrophobicContact CE1-CH2 3.81Å; Y162-W168 AromaticContact CE1-CZ3 3.61Å; Y162-W168 HydrophobicContact CE1-CZ3 3.61Å; C163-W168 HydrophobicContact CB-CB 4.14Å; C163-W168 PolarHBondContact O-N 2.86Å; R166-W168 HydrophobicContact CB-CD2 3.85Å; R166-W168 HydrophobicContact CB-CE3 4.32Å; R166-W168 HydrophobicContact CB-CG 4.19Å; R166-W168 HydrophobicContact CB-CZ2 4.07Å; R166-W168 HydrophobicContact CG-CH2 4.36Å; R166-W168 HydrophobicContact CG-CZ2 4.19Å; W168-I174 HydrophobicContact CD2-CD1 3.89Å; W168-I174 HydrophobicContact CG-CD1 4.42Å; W168-I174 HydrophobicContact CH2-CD1 3.93Å; W168-I174 HydrophobicContact CZ2-CD1 3.18Å; W168-I174 VanDerWaalsContact NE1-CD1 3.25Å; W168-L189 HydrophobicContact CZ2-CD1 4.48Å; W168-E191 PolarHBondContact NE1-OE1 3.26Å
169V86.8Confident89.5Confident112 Ų11259.6 Ų59.668%0.67927%0.272SS*.  trans-79.6-24179.2-174.70000111.7G167G167-V169 PolarHBondContact O-N 3.16Å
170R89.1Confident88.5Confident154 Ų15460.4 Ų60.458%0.58128%0.278SS*.SBendtrans-119.5148.6178.461.2-179.6176.31650.2110.3T172R170-T172 PolarHBondContact O-N 3.25Å
171S90.9Very high87.3Confident13 Ų1362.1 Ų62.19%0.09129%0.292CS..  trans-56.8123.4172.1-53.90000109.4V123 A125 R128 S129V123-S171 CarbonylContact O-C 3.52Å; V123-S171 WeakPolarHBondContact O-CA 3.27Å; A125-S171 PolarHBondContact N-OG 3.06Å; R128-S171 WeakPolarHBondContact CB-OG 3.4Å; S129-S171 WeakPolarHBondContact O-CB 3.4Å; S129-S171 PolarHBondContact O-OG 3.35Å
172T91.8Very high86Confident5 Ų556.3 Ų56.33%0.03128%0.279CS..EExtended strand (participates in β ladder)trans-140.5163.1-173.2-173.20000110.1V123 R170 I174V123-T172 HydrophobicContact CB-CG2 4.11Å; V123-T172 HydrophobicContact CG2-CG2 4.5Å; V123-T172 PolarHBondContact N-O 2.91Å; V123-T172 PolarHBondContact O-N 3.01Å; V123-T172 VanDerWaalsContact O-N 3.07Å; R170-T172 PolarHBondContact O-N 3.25Å; T172-I174 HydrophobicContact CG2-CD1 4.13Å; T172-I174 HydrophobicContact CG2-CG1 3.99Å
173L93.9Very high84.5Confident1 Ų160.4 Ų60.41%0.00531%0.308CS..EExtended strand (participates in β ladder)trans-110.5130.5173.9-173.470.1000108.3L120 Q122 L131 W137 Y192 I202L120-L173 HydrophobicContact CD1-CD1 3.85Å; L120-L173 HydrophobicContact CD1-CD2 3.88Å; L120-L173 HydrophobicContact CD1-CG 3.75Å; L120-L173 HydrophobicContact CD2-CD1 4.43Å; L120-L173 HydrophobicContact CG-CD1 3.92Å; L120-L173 HydrophobicContact CG-CG 4.38Å; Q122-L173 HydrophobicContact CB-CD1 4.2Å; L131-L173 HydrophobicContact CD2-CB 4.09Å; W137-L173 HydrophobicContact CH2-CD1 4.09Å; W137-L173 HydrophobicContact CZ3-CD1 3.65Å; L173-Y192 WeakPolarHBondContact O-CB 3Å; L173-Y192 PolarHBondContact O-N 3.24Å; L173-I202 HydrophobicContact CD2-CD1 4.24Å; L173-I202 HydrophobicContact CD2-CG1 4.46Å; L173-I202 HydrophobicContact CD2-CG2 3.45Å; L173-I202 VanDerWaalsContact CD2-CG2 3.45Å
174I93.6Very high82.9Confident2 Ų269.1 Ų69.11%0.0135%0.345CS..EExtended strand (participates in β ladder)trans-121.4134.9-174.6-54.2-176.1000108.4L120 V121 V123 W168 T172 L189 K190 E191L120-I174 CarbonylContact C-O 3.18Å; V121-I174 PolarHBondContact N-O 3.36Å; V121-I174 PolarHBondContact O-N 2.99Å; V123-I174 HydrophobicContact CG2-CD1 3.46Å; V123-I174 VanDerWaalsContact CG2-CD1 3.46Å; V123-I174 HydrophobicContact CG2-CG1 3.99Å; W168-I174 HydrophobicContact CD2-CD1 3.89Å; W168-I174 HydrophobicContact CG-CD1 4.42Å; W168-I174 HydrophobicContact CH2-CD1 3.93Å; W168-I174 HydrophobicContact CZ2-CD1 3.18Å; W168-I174 VanDerWaalsContact NE1-CD1 3.25Å; T172-I174 HydrophobicContact CG2-CD1 4.13Å; T172-I174 HydrophobicContact CG2-CG1 3.99Å; I174-L189 HydrophobicContact CG2-CB 4.04Å; I174-L189 HydrophobicContact CG2-CD2 4.16Å; I174-K190 CarbonylContact C-O 3.56Å; I174-K190 WeakPolarHBondContact CA-O 3.42Å; I174-E191 HydrophobicContact CG1-CG 4.42Å
175M92.7Very high81.6Confident0 Ų060 Ų600%032%0.315CS..EExtended strand (participates in β ladder)trans-111.4127.4170.4-174.7-173.3-177.800108.6I118 W119 V177 K190 W205 I206 H209 A210I118-M175 HydrophobicContact CD1-CE 3.91Å; I118-M175 HydrophobicContact CG1-CE 4.36Å; I118-M175 HydrophobicContact CG2-CE 3.48Å; I118-M175 VanDerWaalsContact CG2-CE 3.48Å; I118-M175 HydrophobicContact CG2-CG 3.83Å; I118-M175 HydrophobicContact CG2-SD 4.49Å; W119-M175 CarbonylContact O-C 3.21Å; W119-M175 VanDerWaalsContact O-CA 3.26Å; W119-M175 WeakPolarHBondContact O-CA 3.35Å; M175-V177 HydrophobicContact CE-CG2 3.46Å; M175-V177 VanDerWaalsContact CE-CG2 3.46Å; M175-V177 HydrophobicContact CG-CG2 3.72Å; M175-V177 HydrophobicContact SD-CG2 3.74Å; M175-K190 PolarHBondContact N-O 2.98Å; M175-K190 PolarHBondContact O-N 3.19Å; M175-W205 HydrophobicContact CB-CH2 3.41Å; M175-W205 VanDerWaalsContact CB-CH2 3.41Å; M175-W205 HydrophobicContact CB-CZ2 4.33Å; M175-W205 HydrophobicContact CB-CZ3 3.74Å; M175-W205 HydrophobicContact SD-CH2 4.49Å; M175-W205 HydrophobicContact SD-CZ3 4.36Å; M175-I206 HydrophobicContact CE-CB 4.36Å; M175-I206 HydrophobicContact CE-CG2 3.67Å; M175-I206 VanDerWaalsContact CE-O 3.29Å; M175-I206 WeakPolarHBondContact CE-O 3.41Å; M175-I206 HydrophobicContact SD-CB 4.31Å; M175-I206 HydrophobicContact SD-CG1 4.37Å; M175-I206 HydrophobicContact SD-CG2 4.17Å; M175-H209 HydrophobicContact CE-CB 4.05Å; M175-H209 HydrophobicContact SD-CB 3.66Å; M175-A210 HydrophobicContact CE-CB 4.31Å
176S90.8Very high80.8Confident2 Ų260.1 Ų60.11%0.01432%0.32CS..EExtended strand (participates in β ladder)trans-93.2130.5167.382.50000109.4I118 W119I118-S176 WeakPolarHBondContact CA-O 3.28Å; I118-S176 WeakPolarHBondContact CG2-O 3.45Å; W119-S176 VanDerWaalsContact CB-OG 3.27Å; W119-S176 WeakPolarHBondContact CB-OG 3.42Å; W119-S176 PolarHBondContact N-O 3.32Å; W119-S176 PolarHBondContact N-OG 3.05Å; W119-S176 VanDerWaalsContact N-OG 3.08Å; W119-S176 PolarHBondContact O-N 3.44Å
177V86Confident80.5Confident6 Ų656.9 Ų56.94%0.03631%0.311CS..EExtended strand (participates in β ladder)trans-137131.1176.3-170.80000109.3M175 Q179 M188M175-V177 HydrophobicContact CE-CG2 3.46Å; M175-V177 VanDerWaalsContact CE-CG2 3.46Å; M175-V177 HydrophobicContact CG-CG2 3.72Å; M175-V177 HydrophobicContact SD-CG2 3.74Å; V177-Q179 PolarHBondContact O-N 3.47Å; V177-M188 PolarHBondContact N-O 2.89Å; V177-M188 PolarHBondContact O-N 3.28Å
178P81.9Confident80.2Confident12 Ų1257.2 Ų57.28%0.07830%0.3CS..EExtended strand (participates in β ladder)trans-62.2129.617224.8-33.9000110.8I255P178-I255 HydrophobicContact CG-CG2 3.95Å
179Q74.1Confident80.2Confident122 Ų12259.1 Ų59.157%0.5731%0.311SS*.  trans-80.7-30.4-171.1-169.217716.200113.8V177 K186 M188V177-Q179 PolarHBondContact O-N 3.47Å; Q179-K186 VanDerWaalsContact CB-O 3.25Å; Q179-K186 WeakPolarHBondContact CB-O 3.31Å; Q179-K186 PolarHBondContact N-O 3.49Å; Q179-K186 VanDerWaalsContact N-O 3.11Å; Q179-M188 HydrophobicContact CB-CB 4.47Å
180T68.7Low80.4Confident52 Ų5256.5 Ų56.532%0.31929%0.29SS..SBendtrans-117.2156.9-176.361.80000111.5T182 G185T180-T182 WeakPolarHBondContact CB-OG1 3.46Å; T180-T182 PolarHBondContact O-N 3.35Å; T180-T182 PolarHBondContact OG1-O 2.91Å; T180-T182 PolarHBondContact OG1-OG1 3.18Å; T180-G185 WeakPolarHBondContact OG1-CA 3.3Å
181S64.8Low80.5Confident85 Ų8553.2 Ų53.259%0.59428%0.282SS*.SBendtrans-71.4-6.5169.951.80000113.4T258S181-T258 WeakPolarHBondContact O-CG2 3.16Å
182T63.9Low80.6Confident81 Ų8153.7 Ų53.750%0.49728%0.281SS..SBendtrans-91.2140.7-179.5580000111.6T180 K184 G185T180-T182 WeakPolarHBondContact CB-OG1 3.46Å; T180-T182 PolarHBondContact O-N 3.35Å; T180-T182 PolarHBondContact OG1-O 2.91Å; T180-T182 PolarHBondContact OG1-OG1 3.18Å; T182-K184 PolarHBondContact O-N 3.5Å; T182-G185 PolarHBondContact O-N 3.22Å; T182-G185 VanDerWaalsContact O-N 3.08Å
183S59.9Low80.4Confident87 Ų8758.4 Ų58.461%0.60832%0.315SS*.THydrogen-bonded Turntrans-61.9-11.8178.756.20000114.4K115K115-S183 WeakPolarHBondContact CD-O 3.43Å; K115-S183 PolarHBondContact NZ-O 3.44Å
184K59.1Low79.9Confident187 Ų18760 Ų6081%0.81333%0.331SS*.THydrogen-bonded Turntrans-101.96.9177-68.4-172.8180179.70114.7K115 T182K115-K184 VanDerWaalsContact NZ-CA 3.34Å; T182-K184 PolarHBondContact O-N 3.5Å
185G63.9Low79.4Confident13 Ų1371.8 Ų71.813%0.13438%0.375CS..PPolyproline II helixtrans-59.8156.4179.400000115.9K115 T180 T182K115-G185 VanDerWaalsContact CE-O 3.31Å; K115-G185 WeakPolarHBondContact CE-O 3.49Å; T180-G185 WeakPolarHBondContact OG1-CA 3.3Å; T182-G185 PolarHBondContact O-N 3.22Å; T182-G185 VanDerWaalsContact O-N 3.08Å
186K74.8Confident79.1Confident171 Ų17177.1 Ų77.174%0.74340%0.399SS*.PPolyproline II helixtrans-78.5143.3167.2-68.9-174.8179-177.80110.1Q179Q179-K186 VanDerWaalsContact CB-O 3.25Å; Q179-K186 WeakPolarHBondContact CB-O 3.31Å; Q179-K186 PolarHBondContact N-O 3.49Å; Q179-K186 VanDerWaalsContact N-O 3.11Å
187V82.9Confident78.9Confident30 Ų3080.8 Ų80.818%0.18242%0.417CS..EExtended strand (participates in β ladder)trans-82.7132.2170.3-178.10000108.8K115K115-V187 HydrophobicContact CG-CG2 4.36Å
188M84.8Confident79Confident55 Ų5585.8 Ų85.827%0.27144%0.44SS..EExtended strand (participates in β ladder)trans-101127.1177.3179.1178.44900109.3V177 Q179 K190V177-M188 PolarHBondContact N-O 2.89Å; V177-M188 PolarHBondContact O-N 3.28Å; Q179-M188 HydrophobicContact CB-CB 4.47Å; M188-K190 HydrophobicContact CE-CD 3.95Å; M188-K190 HydrophobicContact CE-CG 4.26Å; M188-K190 HydrophobicContact CG-CG 4.17Å; M188-K190 HydrophobicContact SD-CD 4.42Å; M188-K190 VanDerWaalsContact SD-CE 3.54Å; M188-K190 HydrophobicContact SD-CG 4.27Å
189L89.5Confident79.3Confident52 Ų5286.3 Ų86.327%0.27244%0.443SS..EExtended strand (participates in β ladder)trans-90.8127.6170.8-59.8178.8000109.3F107 V111 W168 I174F107-L189 HydrophobicContact CE1-CD1 4.27Å; F107-L189 HydrophobicContact CZ-CD1 4.43Å; F107-L189 HydrophobicContact CZ-CD2 4.43Å; V111-L189 HydrophobicContact CG1-CD2 4.21Å; W168-L189 HydrophobicContact CZ2-CD1 4.48Å; I174-L189 HydrophobicContact CG2-CB 4.04Å; I174-L189 HydrophobicContact CG2-CD2 4.16Å
190K90.9Very high79.8Confident56 Ų5682.3 Ų82.324%0.24343%0.425CS..EExtended strand (participates in β ladder)trans-118.9126.4177.3-73.3-170.9157.9172.10110.3I174 M175 M188 W205 H209I174-K190 CarbonylContact C-O 3.56Å; I174-K190 WeakPolarHBondContact CA-O 3.42Å; M175-K190 PolarHBondContact N-O 2.98Å; M175-K190 PolarHBondContact O-N 3.19Å; M188-K190 HydrophobicContact CE-CD 3.95Å; M188-K190 HydrophobicContact CE-CG 4.26Å; M188-K190 HydrophobicContact CG-CG 4.17Å; M188-K190 HydrophobicContact SD-CD 4.42Å; M188-K190 VanDerWaalsContact SD-CE 3.54Å; M188-K190 HydrophobicContact SD-CG 4.27Å; K190-W205 HydrophobicContact CB-CZ2 4.2Å; K190-H209 WeakPolarHBondContact CD-CD2 3.49Å; K190-H209 WeakPolarHBondContact CD-NE2 3.36Å; K190-H209 PolarHBondContact NZ-CD2 2.76Å; K190-H209 PolarHBondContact NZ-NE2 3.27Å
191E92.4Very high80.7Confident86 Ų8682.5 Ų82.540%0.40242%0.422SS..EExtended strand (participates in β ladder)trans-87.4140176-60.9-171.8177.900111.2W168 I174 S193W168-E191 PolarHBondContact NE1-OE1 3.26Å; I174-E191 HydrophobicContact CG1-CG 4.42Å; E191-S193 PolarHBondContact O-N 3.03Å
192Y92.7Very high82Confident22 Ų2278.4 Ų78.49%0.08639%0.393CS..  trans-74112.7173.5-173.9-107000110.4L173 G194 K196 I202 W205L173-Y192 WeakPolarHBondContact O-CB 3Å; L173-Y192 PolarHBondContact O-N 3.24Å; Y192-G194 WeakPolarHBondContact CE1-O 3.05Å; Y192-K196 PolarHBondContact OH-O 2.83Å; Y192-I202 HydrophobicContact CE1-CG1 4.02Å; Y192-I202 HydrophobicContact CE2-CG1 4.1Å; Y192-W205 HydrophobicContact CD2-CB 4.17Å; Y192-W205 AromaticContact CD2-CD2 3.44Å; Y192-W205 HydrophobicContact CD2-CD2 3.44Å; Y192-W205 VanDerWaalsContact CD2-CD2 3.44Å; Y192-W205 AromaticContact CD2-CE2 3.79Å; Y192-W205 AromaticContact CD2-CE3 3.64Å; Y192-W205 HydrophobicContact CD2-CE3 3.64Å; Y192-W205 AromaticContact CD2-CG 3.65Å; Y192-W205 HydrophobicContact CD2-CG 3.65Å; Y192-W205 HydrophobicContact CD2-CH2 4.5Å; Y192-W205 HydrophobicContact CD2-CZ2 4.33Å; Y192-W205 HydrophobicContact CD2-CZ3 4.18Å; Y192-W205 HydrophobicContact CE2-CB 3.77Å; Y192-W205 HydrophobicContact CE2-CD2 4Å; Y192-W205 HydrophobicContact CE2-CE3 4.31Å; Y192-W205 AromaticContact CE2-CG 3.73Å; Y192-W205 HydrophobicContact CE2-CG 3.73Å
193S86.9Confident83.2Confident104 Ų10474.8 Ų74.873%0.72737%0.371SS*.  trans-103.36.7178.855.10000113.7E191E191-S193 PolarHBondContact O-N 3.03Å
194G84.6Confident84.6Confident34 Ų3475.6 Ų75.635%0.35136%0.363SS..  trans-70.8145.3-177.900000113.3Y192Y192-G194 WeakPolarHBondContact CE1-O 3.05Å
195R83.1Confident86.1Confident250 Ų25068.5 Ų68.594%0.94333%0.331SS*.SBendtrans-78.2-23.5178.7-64.9-177.3-178.3178.10.4113.5
196K86.1Confident87.4Confident113 Ų11367.9 Ų67.949%0.49133%0.325SS..  trans-99.8124.3-177.1-66.3-173176.8-167.50110.3Y192 E198 H201Y192-K196 PolarHBondContact OH-O 2.83Å; K196-E198 VanDerWaalsContact C-N 3.3Å; K196-E198 PolarHBondContact O-N 2.67Å; K196-H201 HydrophobicContact CB-CB 4.29Å; K196-H201 VanDerWaalsContact CD-CD2 3.44Å; K196-H201 WeakPolarHBondContact CD-CD2 3.36Å; K196-H201 WeakPolarHBondContact CD-NE2 3.04Å; K196-H201 PolarHBondContact NZ-NE2 2.96Å
197I85.8Confident88.1Confident78 Ų7860.5 Ų60.540%0.429%0.294SS..  trans-98.725.9-176-45.2175000111L131 V132 I202L131-I197 HydrophobicContact CD1-CD1 3.84Å; L131-I197 HydrophobicContact CG-CD1 4.33Å; L131-I197 HydrophobicContact CG-CG2 4.36Å; V132-I197 HydrophobicContact CG2-CG2 3.9Å; I197-I202 HydrophobicContact CG2-CD1 4.25Å
198E87.7Confident88.4Confident111 Ų11160.6 Ų60.652%0.51930%0.298SS..  trans-80146.6177.5-66.8171.2-160.100110.8K196 E200 H201 I202K196-E198 VanDerWaalsContact C-N 3.3Å; K196-E198 PolarHBondContact O-N 2.67Å; E198-E200 VanDerWaalsContact C-N 3.28Å; E198-E200 PolarHBondContact O-N 3.24Å; E198-H201 HydrophobicContact CB-CB 4.47Å; E198-H201 PolarHBondContact O-N 2.93Å; E198-H201 VanDerWaalsContact O-N 3.16Å; E198-H201 IonicContact OE2-CD2 3.37Å; E198-H201 PolarHBondContact OE2-CD2 3.24Å; E198-H201 IonicContact OE2-NE2 3.8Å; E198-I202 PolarHBondContact O-N 3.48Å
199V87.9Confident88.6Confident24 Ų2460 Ų6015%0.14530%0.295CS..Hα-helixtrans-57.1-42.2-177.7175.70000111.4H136 M140 K143 H201 F203H136-V199 HydrophobicContact CB-CG2 4.44Å; M140-V199 HydrophobicContact CE-CB 4.02Å; M140-V199 HydrophobicContact CE-CG1 3.71Å; M140-V199 HydrophobicContact CE-CG2 4.27Å; M140-V199 WeakPolarHBondContact CE-O 3.47Å; M140-V199 HydrophobicContact SD-CG1 4.17Å; K143-V199 HydrophobicContact CD-CG1 4.06Å; V199-H201 PolarHBondContact O-N 3.37Å; V199-F203 VanDerWaalsContact O-CB 3.23Å; V199-F203 WeakPolarHBondContact O-CB 3.26Å; V199-F203 PolarHBondContact O-N 3.02Å
200E85.4Confident88.5Confident38 Ų3857.7 Ų57.718%0.17828%0.284CS..Hα-helixtrans-64.6-41.2179.3-64.4-53.4136.400113Y59 K143 E198 F203 K204Y59-E200 PolarHBondContact OH-OE1 3.42Å; K143-E200 IonicContact NZ-OE1 3.94Å; K143-E200 PolarHBondContact NZ-OE1 2.94Å; K143-E200 IonicContact NZ-OE2 2.95Å; K143-E200 PolarHBondContact NZ-OE2 3.06Å; E198-E200 VanDerWaalsContact C-N 3.28Å; E198-E200 PolarHBondContact O-N 3.24Å; E200-F203 PolarHBondContact O-N 3.06Å; E200-K204 WeakPolarHBondContact O-CB 3.49Å; E200-K204 PolarHBondContact O-N 2.83Å
201H88.4Confident88.4Confident55 Ų5555.5 Ų55.526%0.25528%0.276SS..Hα-helixtrans-68.8-41.1-179.5-83-65.1000112.1K196 E198 V199 W205K196-H201 HydrophobicContact CB-CB 4.29Å; K196-H201 VanDerWaalsContact CD-CD2 3.44Å; K196-H201 WeakPolarHBondContact CD-CD2 3.36Å; K196-H201 WeakPolarHBondContact CD-NE2 3.04Å; K196-H201 PolarHBondContact NZ-NE2 2.96Å; E198-H201 HydrophobicContact CB-CB 4.47Å; E198-H201 PolarHBondContact O-N 2.93Å; E198-H201 VanDerWaalsContact O-N 3.16Å; E198-H201 IonicContact OE2-CD2 3.37Å; E198-H201 PolarHBondContact OE2-CD2 3.24Å; E198-H201 IonicContact OE2-NE2 3.8Å; V199-H201 PolarHBondContact O-N 3.37Å; H201-W205 PolarHBondContact O-N 3Å; H201-W205 VanDerWaalsContact O-N 3.12Å
202I90.9Very high88.1Confident0 Ų055.3 Ų55.30%028%0.284CS..Hα-helixtrans-66.8-43.1174.1-65.6166000109.8V132 M140 L173 Y192 I197 E198 K204 W205 I206V132-I202 HydrophobicContact CG2-CD1 3.99Å; M140-I202 HydrophobicContact CE-CB 3.52Å; M140-I202 HydrophobicContact CE-CD1 4.1Å; M140-I202 HydrophobicContact CE-CG1 4.41Å; M140-I202 HydrophobicContact CE-CG2 3.48Å; M140-I202 VanDerWaalsContact CE-CG2 3.48Å; M140-I202 HydrophobicContact SD-CG2 4.3Å; L173-I202 HydrophobicContact CD2-CD1 4.24Å; L173-I202 HydrophobicContact CD2-CG1 4.46Å; L173-I202 HydrophobicContact CD2-CG2 3.45Å; L173-I202 VanDerWaalsContact CD2-CG2 3.45Å; Y192-I202 HydrophobicContact CE1-CG1 4.02Å; Y192-I202 HydrophobicContact CE2-CG1 4.1Å; I197-I202 HydrophobicContact CG2-CD1 4.25Å; E198-I202 PolarHBondContact O-N 3.48Å; I202-K204 PolarHBondContact O-N 2.73Å; I202-W205 WeakPolarHBondContact O-CB 3.11Å; I202-W205 PolarHBondContact O-N 2.85Å; I202-W205 VanDerWaalsContact O-N 3.1Å; I202-I206 HydrophobicContact CG2-CD1 3.98Å; I202-I206 HydrophobicContact CG2-CG1 4.35Å; I202-I206 WeakPolarHBondContact O-CG1 3.11Å; I202-I206 PolarHBondContact O-N 3.2Å
203F89.9Confident87.7Confident4 Ų456.7 Ų56.72%0.01829%0.289CS..Hα-helixtrans-59.3-46.3177.2-174.3-104.2000111.7K143 V144 F147 V199 E200 W205 I206 T207 A248K143-F203 HydrophobicContact CD-CB 4.49Å; K143-F203 HydrophobicContact CD-CD2 4.08Å; K143-F203 HydrophobicContact CD-CG 4.14Å; K143-F203 HydrophobicContact CG-CD2 4.17Å; K143-F203 HydrophobicContact CG-CE2 4.23Å; V144-F203 HydrophobicContact CG1-CD2 4.06Å; V144-F203 HydrophobicContact CG1-CE2 4.42Å; F147-F203 AromaticContact CD2-CE2 3.8Å; F147-F203 HydrophobicContact CD2-CE2 3.8Å; F147-F203 AromaticContact CD2-CZ 3.92Å; F147-F203 HydrophobicContact CD2-CZ 3.92Å; F147-F203 AromaticContact CE2-CE2 3.66Å; F147-F203 HydrophobicContact CE2-CE2 3.66Å; F147-F203 AromaticContact CE2-CZ 3.41Å; F147-F203 HydrophobicContact CE2-CZ 3.41Å; F147-F203 VanDerWaalsContact CE2-CZ 3.41Å; F147-F203 HydrophobicContact CZ-CZ 4.04Å; V199-F203 VanDerWaalsContact O-CB 3.23Å; V199-F203 WeakPolarHBondContact O-CB 3.26Å; V199-F203 PolarHBondContact O-N 3.02Å; E200-F203 PolarHBondContact O-N 3.06Å; F203-W205 VanDerWaalsContact C-N 3.26Å; F203-W205 PolarHBondContact O-N 2.91Å; F203-I206 WeakPolarHBondContact O-CB 3.46Å; F203-I206 PolarHBondContact O-N 2.67Å; F203-I206 VanDerWaalsContact O-N 3.11Å; F203-T207 HydrophobicContact CD1-CG2 4.09Å; F203-T207 HydrophobicContact CE1-CG2 3.68Å; F203-T207 HydrophobicContact CE2-CG2 4.13Å; F203-T207 HydrophobicContact CG-CG2 4.48Å; F203-T207 HydrophobicContact CZ-CG2 3.7Å; F203-T207 WeakPolarHBondContact O-CG2 3.43Å; F203-T207 PolarHBondContact O-N 3.15Å; F203-T207 PolarHBondContact O-OG1 3.34Å; F203-A248 HydrophobicContact CZ-CB 4.03Å
204K88.6Confident87.8Confident105 Ų10552.2 Ų52.246%0.45726%0.257SS..Hα-helixtrans-58.8-37.3174.2-175.6173.3-178.1170.20112.6E200 I202 T207 A208E200-K204 WeakPolarHBondContact O-CB 3.49Å; E200-K204 PolarHBondContact O-N 2.83Å; I202-K204 PolarHBondContact O-N 2.73Å; K204-T207 WeakPolarHBondContact CA-OG1 3.43Å; K204-T207 PolarHBondContact O-OG1 2.94Å; K204-T207 VanDerWaalsContact O-OG1 3.1Å; K204-A208 VanDerWaalsContact O-CB 3.27Å; K204-A208 WeakPolarHBondContact O-CB 3.36Å; K204-A208 PolarHBondContact O-N 3.28Å
205W90.8Very high88Confident37 Ų3754.4 Ų54.414%0.1426%0.257CS..Hα-helixtrans-66.5-43.5174.7168.987.1000111.9L120 M175 K190 Y192 H201 I202 F203 H209L120-W205 HydrophobicContact CD1-CZ3 4.3Å; M175-W205 HydrophobicContact CB-CH2 3.41Å; M175-W205 VanDerWaalsContact CB-CH2 3.41Å; M175-W205 HydrophobicContact CB-CZ2 4.33Å; M175-W205 HydrophobicContact CB-CZ3 3.74Å; M175-W205 HydrophobicContact SD-CH2 4.49Å; M175-W205 HydrophobicContact SD-CZ3 4.36Å; K190-W205 HydrophobicContact CB-CZ2 4.2Å; Y192-W205 HydrophobicContact CD2-CB 4.17Å; Y192-W205 AromaticContact CD2-CD2 3.44Å; Y192-W205 HydrophobicContact CD2-CD2 3.44Å; Y192-W205 VanDerWaalsContact CD2-CD2 3.44Å; Y192-W205 AromaticContact CD2-CE2 3.79Å; Y192-W205 AromaticContact CD2-CE3 3.64Å; Y192-W205 HydrophobicContact CD2-CE3 3.64Å; Y192-W205 AromaticContact CD2-CG 3.65Å; Y192-W205 HydrophobicContact CD2-CG 3.65Å; Y192-W205 HydrophobicContact CD2-CH2 4.5Å; Y192-W205 HydrophobicContact CD2-CZ2 4.33Å; Y192-W205 HydrophobicContact CD2-CZ3 4.18Å; Y192-W205 HydrophobicContact CE2-CB 3.77Å; Y192-W205 HydrophobicContact CE2-CD2 4Å; Y192-W205 HydrophobicContact CE2-CE3 4.31Å; Y192-W205 AromaticContact CE2-CG 3.73Å; Y192-W205 HydrophobicContact CE2-CG 3.73Å; H201-W205 PolarHBondContact O-N 3Å; H201-W205 VanDerWaalsContact O-N 3.12Å; I202-W205 WeakPolarHBondContact O-CB 3.11Å; I202-W205 PolarHBondContact O-N 2.85Å; I202-W205 VanDerWaalsContact O-N 3.1Å; F203-W205 VanDerWaalsContact C-N 3.26Å; F203-W205 PolarHBondContact O-N 2.91Å; W205-H209 AromaticContact CD1-CE1 3.35Å; W205-H209 AromaticContact CD1-ND1 3.43Å; W205-H209 AromaticContact CD2-ND1 3.9Å; W205-H209 AromaticContact CE2-CE1 3.76Å; W205-H209 AromaticContact CE2-ND1 3.6Å; W205-H209 AromaticContact CG-ND1 3.81Å; W205-H209 AromaticContact NE1-CE1 3.06Å; W205-H209 PolarHBondContact NE1-CE1 3.41Å; W205-H209 AromaticContact NE1-ND1 3.3Å; W205-H209 PolarHBondContact NE1-ND1 3.47Å; W205-H209 PolarHBondContact O-N 2.79Å; W205-H209 VanDerWaalsContact O-N 3.16Å; W205-H209 PolarHBondContact O-ND1 3.17Å
206I90.6Very high88.4Confident1 Ų145 Ų451%0.00523%0.227CC..Hα-helixtrans-59.8-50.1176.1-67.4171.8000110L120 M140 V144 I149 M175 I202 F203 A208 H209 A210L120-I206 HydrophobicContact CD1-CD1 3.74Å; L120-I206 HydrophobicContact CD1-CG1 4.18Å; L120-I206 HydrophobicContact CD2-CD1 3.66Å; L120-I206 HydrophobicContact CG-CD1 4.26Å; M140-I206 HydrophobicContact SD-CD1 4.43Å; V144-I206 HydrophobicContact CG1-CD1 3.93Å; I149-I206 HydrophobicContact CD1-CG2 3.62Å; M175-I206 HydrophobicContact CE-CB 4.36Å; M175-I206 HydrophobicContact CE-CG2 3.67Å; M175-I206 VanDerWaalsContact CE-O 3.29Å; M175-I206 WeakPolarHBondContact CE-O 3.41Å; M175-I206 HydrophobicContact SD-CB 4.31Å; M175-I206 HydrophobicContact SD-CG1 4.37Å; M175-I206 HydrophobicContact SD-CG2 4.17Å; I202-I206 HydrophobicContact CG2-CD1 3.98Å; I202-I206 HydrophobicContact CG2-CG1 4.35Å; I202-I206 WeakPolarHBondContact O-CG1 3.11Å; I202-I206 PolarHBondContact O-N 3.2Å; F203-I206 WeakPolarHBondContact O-CB 3.46Å; F203-I206 PolarHBondContact O-N 2.67Å; F203-I206 VanDerWaalsContact O-N 3.11Å; I206-A208 PolarHBondContact O-N 2.93Å; I206-H209 WeakPolarHBondContact O-CB 3.4Å; I206-H209 PolarHBondContact O-N 2.95Å; I206-A210 PolarHBondContact O-N 3.07Å
207T89.3Confident88.6Confident15 Ų1540 Ų409%0.09221%0.205CC..Hα-helixtrans-66.6-40.1-176.758.20000112.2F203 K204 H209 A210 A211 A248F203-T207 HydrophobicContact CD1-CG2 4.09Å; F203-T207 HydrophobicContact CE1-CG2 3.68Å; F203-T207 HydrophobicContact CE2-CG2 4.13Å; F203-T207 HydrophobicContact CG-CG2 4.48Å; F203-T207 HydrophobicContact CZ-CG2 3.7Å; F203-T207 WeakPolarHBondContact O-CG2 3.43Å; F203-T207 PolarHBondContact O-N 3.15Å; F203-T207 PolarHBondContact O-OG1 3.34Å; K204-T207 WeakPolarHBondContact CA-OG1 3.43Å; K204-T207 PolarHBondContact O-OG1 2.94Å; K204-T207 VanDerWaalsContact O-OG1 3.1Å; T207-H209 VanDerWaalsContact C-N 3.25Å; T207-H209 PolarHBondContact O-N 2.86Å; T207-A210 PolarHBondContact O-N 2.92Å; T207-A211 WeakPolarHBondContact O-CB 3.31Å; T207-A211 PolarHBondContact O-N 2.77Å; T207-A248 HydrophobicContact CG2-CB 3.48Å; T207-A248 VanDerWaalsContact CG2-CB 3.48Å
208A89.1Confident88.8Confident33 Ų3342 Ų4227%0.27321%0.209SC..Hα-helixtrans-60.5-37.4174.700000112.1K204 I206 S212K204-A208 VanDerWaalsContact O-CB 3.27Å; K204-A208 WeakPolarHBondContact O-CB 3.36Å; K204-A208 PolarHBondContact O-N 3.28Å; I206-A208 PolarHBondContact O-N 2.93Å; A208-S212 PolarHBondContact O-N 3.06Å; A208-S212 VanDerWaalsContact O-N 3.11Å
209H89.1Confident88.8Confident41 Ų4141 Ų4119%0.1921%0.207CC..Hα-helixtrans-71.3-40.9176.5-80.894.1000113.1M175 K190 W205 I206 T207 A211 S212M175-H209 HydrophobicContact CE-CB 4.05Å; M175-H209 HydrophobicContact SD-CB 3.66Å; K190-H209 WeakPolarHBondContact CD-CD2 3.49Å; K190-H209 WeakPolarHBondContact CD-NE2 3.36Å; K190-H209 PolarHBondContact NZ-CD2 2.76Å; K190-H209 PolarHBondContact NZ-NE2 3.27Å; W205-H209 AromaticContact CD1-CE1 3.35Å; W205-H209 AromaticContact CD1-ND1 3.43Å; W205-H209 AromaticContact CD2-ND1 3.9Å; W205-H209 AromaticContact CE2-CE1 3.76Å; W205-H209 AromaticContact CE2-ND1 3.6Å; W205-H209 AromaticContact CG-ND1 3.81Å; W205-H209 AromaticContact NE1-CE1 3.06Å; W205-H209 PolarHBondContact NE1-CE1 3.41Å; W205-H209 AromaticContact NE1-ND1 3.3Å; W205-H209 PolarHBondContact NE1-ND1 3.47Å; W205-H209 PolarHBondContact O-N 2.79Å; W205-H209 VanDerWaalsContact O-N 3.16Å; W205-H209 PolarHBondContact O-ND1 3.17Å; I206-H209 WeakPolarHBondContact O-CB 3.4Å; I206-H209 PolarHBondContact O-N 2.95Å; T207-H209 VanDerWaalsContact C-N 3.25Å; T207-H209 PolarHBondContact O-N 2.86Å; H209-A211 VanDerWaalsContact C-N 3.34Å; H209-S212 PolarHBondContact O-N 2.94Å; H209-S212 PolarHBondContact O-OG 2.75Å
210A88.3Confident88.7Confident5 Ų541.4 Ų41.44%0.04121%0.213CC..Hα-helixtrans-63.8-41.7172.800000111.4I118 M175 I206 T207 S212 R213I118-A210 HydrophobicContact CD1-CB 3.86Å; M175-A210 HydrophobicContact CE-CB 4.31Å; I206-A210 PolarHBondContact O-N 3.07Å; T207-A210 PolarHBondContact O-N 2.92Å; A210-S212 VanDerWaalsContact C-N 3.31Å; A210-S212 PolarHBondContact O-N 2.83Å; A210-R213 PolarHBondContact O-N 2.94Å
211A88.5Confident88.7Confident9 Ų947.1 Ų47.17%0.07424%0.239CC..Hα-helixtrans-64.3-31179.100000113.2T207 H209 R213 I214 P246T207-A211 WeakPolarHBondContact O-CB 3.31Å; T207-A211 PolarHBondContact O-N 2.77Å; H209-A211 VanDerWaalsContact C-N 3.34Å; A211-R213 PolarHBondContact O-N 3.09Å; A211-I214 PolarHBondContact O-N 3.24Å; A211-P246 HydrophobicContact CB-CG 3.53Å
212S86.8Confident88.7Confident83 Ų8349.3 Ų49.358%0.5825%0.25SC*.THydrogen-bonded Turntrans-59.4-15.618071.70000114.6A208 H209 A210A208-S212 PolarHBondContact O-N 3.06Å; A208-S212 VanDerWaalsContact O-N 3.11Å; H209-S212 PolarHBondContact O-N 2.94Å; H209-S212 PolarHBondContact O-OG 2.75Å; A210-S212 VanDerWaalsContact C-N 3.31Å; A210-S212 PolarHBondContact O-N 2.83Å
213R83.1Confident88.6Confident51 Ų5149.3 Ų49.319%0.19225%0.25CC..THydrogen-bonded Turntrans-84.1-27.4175.6-176.9176170.9-175.6-9.1113A210 A211 T258A210-R213 PolarHBondContact O-N 2.94Å; A211-R213 PolarHBondContact O-N 3.09Å; R213-T258 VanDerWaalsContact CZ-OG1 3.25Å; R213-T258 PolarHBondContact NH1-OG1 2.91Å; R213-T258 VanDerWaalsContact NH2-CB 3.34Å; R213-T258 PolarHBondContact NH2-OG1 3.44Å
214I89.3Confident88.4Confident9 Ų954.6 Ų54.65%0.04627%0.273CS..SBendtrans-77135.5-179.9-67.7163.9000108.5A211 T216 P246 F250 S251 F263 F265A211-I214 PolarHBondContact O-N 3.24Å; I214-T216 PolarHBondContact O-N 3.34Å; I214-P246 HydrophobicContact CD1-CB 4.15Å; I214-P246 HydrophobicContact CD1-CG 3.99Å; I214-F250 HydrophobicContact CD1-CD1 3.69Å; I214-F250 HydrophobicContact CD1-CE1 4.15Å; I214-F250 HydrophobicContact CG2-CE1 4.24Å; I214-S251 VanDerWaalsContact CD1-CA 3.5Å; I214-S251 WeakPolarHBondContact CD1-OG 3.17Å; I214-F263 HydrophobicContact CG1-CB 4.31Å; I214-F265 HydrophobicContact CG2-CB 3.77Å
215K89.3Confident88.4Confident80 Ų8055.1 Ų55.135%0.34828%0.277SS..EExtended strand (participates in β ladder)trans-71.3114.6173.5-175.7174.9176.9173.80109.3E226 I264 F265K215-E226 IonicContact NZ-OE1 3.62Å; K215-E226 PolarHBondContact NZ-OE1 2.94Å; K215-E226 IonicContact NZ-OE2 3.83Å; K215-E226 PolarHBondContact NZ-OE2 2.93Å; K215-I264 WeakPolarHBondContact O-CA 3.2Å; K215-F265 PolarHBondContact O-N 3Å
216T91.3Very high88.2Confident52 Ų5253.8 Ų53.832%0.31927%0.272SS..EExtended strand (participates in β ladder)trans-98.7123.7177.956.60000110.4I214 Y218 F265I214-T216 PolarHBondContact O-N 3.34Å; T216-Y218 WeakPolarHBondContact OG1-CE2 3.35Å; T216-F265 CarbonylContact C-O 3.59Å; T216-F265 VanDerWaalsContact CA-O 3.26Å; T216-F265 WeakPolarHBondContact CA-O 3.48Å; T216-F265 HydrophobicContact CG2-CB 4.24Å; T216-F265 HydrophobicContact CG2-CD1 3.93Å
217I91.1Very high88Confident8 Ų855 Ų554%0.04128%0.277CS..EExtended strand (participates in β ladder)trans-106.5124.1177.1-57.8178.1000108.6N219 H222 L223 E226 I264 F265 V266 N267I217-N219 VanDerWaalsContact CG2-O 3.28Å; I217-N219 WeakPolarHBondContact CG2-O 3.03Å; I217-H222 HydrophobicContact CG2-CB 4.02Å; I217-L223 HydrophobicContact CD1-CD1 4.09Å; I217-L223 HydrophobicContact CG2-CB 4.08Å; I217-E226 HydrophobicContact CD1-CB 4.18Å; I217-E226 HydrophobicContact CD1-CG 4.27Å; I217-I264 HydrophobicContact CD1-CG2 3.63Å; I217-I264 HydrophobicContact CG1-CG2 4.02Å; I217-F265 PolarHBondContact N-O 3.28Å; I217-V266 HydrophobicContact CB-CG2 4.41Å; I217-V266 WeakPolarHBondContact O-CA 3.38Å; I217-N267 PolarHBondContact O-N 3.13Å
218Y88.8Confident87.8Confident121 Ų12159.6 Ų59.648%0.47530%0.3SS..  trans-106.2-20.5179.1-62.7-80.6000113.3T216 N267 W271T216-Y218 WeakPolarHBondContact OG1-CE2 3.35Å; Y218-N267 HydrophobicContact CD1-CB 3.88Å; Y218-N267 HydrophobicContact CE1-CB 4.01Å; Y218-W271 PolarHBondContact O-NE1 3.41Å
219N87.8Confident87.6Confident91 Ų9162.8 Ų62.849%0.48731%0.308SS..SBendtrans-116.3143.1-176-60.7-18.5000111.2I217 E221 H222 L223I217-N219 VanDerWaalsContact CG2-O 3.28Å; I217-N219 WeakPolarHBondContact CG2-O 3.03Å; N219-E221 VanDerWaalsContact C-N 3.31Å; N219-E221 PolarHBondContact O-N 2.88Å; N219-H222 PolarHBondContact O-N 3.49Å; N219-L223 PolarHBondContact O-N 3.12Å
220A85.6Confident86.4Confident31 Ų3166 Ų6626%0.25634%0.336SS..Hα-helixtrans-64.2-32.1178.400000113.3L223 K224 W271A220-L223 WeakPolarHBondContact O-CB 3.49Å; A220-L223 PolarHBondContact O-N 3.28Å; A220-K224 PolarHBondContact O-N 3.45Å; A220-W271 HydrophobicContact CB-CE3 4.39Å; A220-W271 HydrophobicContact CB-CH2 4.5Å; A220-W271 HydrophobicContact CB-CZ3 4.35Å
221E86.4Confident85.3Confident158 Ų15868.4 Ų68.474%0.73835%0.347SS*.Hα-helixtrans-65-46.2178.3-64.4-177.2170.800111.9N219 L223 K224 E225N219-E221 VanDerWaalsContact C-N 3.31Å; N219-E221 PolarHBondContact O-N 2.88Å; E221-L223 VanDerWaalsContact C-N 3.27Å; E221-L223 PolarHBondContact O-N 3.49Å; E221-K224 WeakPolarHBondContact O-CB 3.19Å; E221-K224 PolarHBondContact O-N 2.62Å; E221-E225 PolarHBondContact O-N 3.48Å
222H87.9Confident84Confident102 Ų10274.5 Ų74.547%0.47238%0.375SS..Hα-helixtrans-62.8-34.9174.4-73.6-53.3000112.2I217 N219 E225 E226I217-H222 HydrophobicContact CG2-CB 4.02Å; N219-H222 PolarHBondContact O-N 3.49Å; H222-E225 IonicContact ND1-OE2 2.67Å; H222-E225 PolarHBondContact ND1-OE2 3.16Å; H222-E226 VanDerWaalsContact O-CB 3.26Å; H222-E226 WeakPolarHBondContact O-CB 3.41Å; H222-E226 PolarHBondContact O-N 3.19Å
223L88.8Confident82.9Confident0 Ų077.9 Ų77.90%038%0.376CS..Hα-helixtrans-63.1-44.7171.8179.966.3000110.6I217 N219 A220 E221 E225 E226 W227 Y238 F240 V266 W271 Y276 I280I217-L223 HydrophobicContact CD1-CD1 4.09Å; I217-L223 HydrophobicContact CG2-CB 4.08Å; N219-L223 PolarHBondContact O-N 3.12Å; A220-L223 WeakPolarHBondContact O-CB 3.49Å; A220-L223 PolarHBondContact O-N 3.28Å; E221-L223 VanDerWaalsContact C-N 3.27Å; E221-L223 PolarHBondContact O-N 3.49Å; L223-E225 PolarHBondContact O-N 2.66Å; L223-E226 PolarHBondContact O-N 2.89Å; L223-W227 WeakPolarHBondContact O-CB 3.35Å; L223-W227 PolarHBondContact O-N 2.93Å; L223-Y238 HydrophobicContact CD1-CD1 4.17Å; L223-Y238 HydrophobicContact CD1-CE1 3.97Å; L223-F240 HydrophobicContact CD1-CE1 4.48Å; L223-F240 HydrophobicContact CD1-CZ 4.45Å; L223-F240 HydrophobicContact CD2-CE1 3.67Å; L223-F240 HydrophobicContact CD2-CZ 4.16Å; L223-V266 HydrophobicContact CD1-CG2 4.15Å; L223-W271 HydrophobicContact CB-CH2 4.02Å; L223-W271 HydrophobicContact CD2-CH2 3.53Å; L223-W271 HydrophobicContact CD2-CZ3 3.84Å; L223-W271 HydrophobicContact CG-CH2 4.37Å; L223-Y276 HydrophobicContact CD2-CD1 4.4Å; L223-Y276 HydrophobicContact CD2-CE1 3.89Å; L223-Y276 HydrophobicContact CG-CE1 4.2Å; L223-I280 HydrophobicContact CD2-CD1 3.97Å
224K86.6Confident82.6Confident115 Ų11582.2 Ų82.250%0.539%0.392SS..Hα-helixtrans-63-42.5-179.7-174.1178.3-179.9179.70112.1A220 E221 W227 N228 Y276A220-K224 PolarHBondContact O-N 3.45Å; E221-K224 WeakPolarHBondContact O-CB 3.19Å; E221-K224 PolarHBondContact O-N 2.62Å; K224-W227 PolarHBondContact O-N 3.46Å; K224-N228 WeakPolarHBondContact O-CB 3.35Å; K224-N228 VanDerWaalsContact O-CG 3.27Å; K224-N228 PolarHBondContact O-N 3.18Å; K224-N228 PolarHBondContact O-ND2 2.78Å; K224-Y276 WeakPolarHBondContact CA-OH 3.12Å; K224-Y276 HydrophobicContact CB-CE1 4.37Å; K224-Y276 HydrophobicContact CG-CE2 4.45Å
225E87.9Confident82.6Confident115 Ų11581.9 Ų81.954%0.53739%0.39SS..Hα-helixtrans-60-48.9172.7-70.5176.5168.100111.1E221 H222 L223 W227 N228 K229E221-E225 PolarHBondContact O-N 3.48Å; H222-E225 IonicContact ND1-OE2 2.67Å; H222-E225 PolarHBondContact ND1-OE2 3.16Å; L223-E225 PolarHBondContact O-N 2.66Å; E225-W227 VanDerWaalsContact C-N 3.32Å; E225-W227 PolarHBondContact O-N 3.06Å; E225-N228 PolarHBondContact O-N 2.9Å; E225-K229 WeakPolarHBondContact O-CG 2.96Å; E225-K229 PolarHBondContact O-N 3.14Å; E225-K229 VanDerWaalsContact O-N 3.16Å
226E87.6Confident82.7Confident9 Ų978.3 Ų78.34%0.04238%0.375CS..Hα-helixtrans-66.6-35.4-179.3-167.462.3-171.200112.9K215 I217 H222 L223 K229 K236 I264K215-E226 IonicContact NZ-OE1 3.62Å; K215-E226 PolarHBondContact NZ-OE1 2.94Å; K215-E226 IonicContact NZ-OE2 3.83Å; K215-E226 PolarHBondContact NZ-OE2 2.93Å; I217-E226 HydrophobicContact CD1-CB 4.18Å; I217-E226 HydrophobicContact CD1-CG 4.27Å; H222-E226 VanDerWaalsContact O-CB 3.26Å; H222-E226 WeakPolarHBondContact O-CB 3.41Å; H222-E226 PolarHBondContact O-N 3.19Å; L223-E226 PolarHBondContact O-N 2.89Å; E226-K229 PolarHBondContact O-N 3.3Å; E226-K229 WeakPolarHBondContact OE2-CD 3.43Å; E226-K229 IonicContact OE2-NZ 2.68Å; E226-K229 PolarHBondContact OE2-NZ 2.92Å; E226-K236 IonicContact OE1-NZ 2.77Å; E226-K236 PolarHBondContact OE1-NZ 2.7Å; E226-I264 HydrophobicContact CG-CD1 4.18Å
227W86.3Confident82.7Confident28 Ų2875.9 Ų75.911%0.10636%0.36CS..Hα-helixtrans-73.2-30.6177.3-168.1-89.7000111.6L223 K224 E225 K229 Y238 I280 I289 R291 I296L223-W227 WeakPolarHBondContact O-CB 3.35Å; L223-W227 PolarHBondContact O-N 2.93Å; K224-W227 PolarHBondContact O-N 3.46Å; E225-W227 VanDerWaalsContact C-N 3.32Å; E225-W227 PolarHBondContact O-N 3.06Å; W227-K229 VanDerWaalsContact C-N 3.35Å; W227-Y238 HydrophobicContact CE3-CE1 4.32Å; W227-Y238 HydrophobicContact CE3-CE2 4.09Å; W227-Y238 AromaticContact CE3-CZ 3.97Å; W227-Y238 AromaticContact CZ3-CD2 3.95Å; W227-Y238 HydrophobicContact CZ3-CD2 3.95Å; W227-Y238 AromaticContact CZ3-CE2 3.86Å; W227-Y238 HydrophobicContact CZ3-CE2 3.86Å; W227-Y238 HydrophobicContact CZ3-CG 4.37Å; W227-I280 HydrophobicContact CH2-CG2 3.75Å; W227-I280 HydrophobicContact CZ2-CG2 3.88Å; W227-I280 HydrophobicContact CZ3-CG2 4.31Å; W227-I289 HydrophobicContact CH2-CG2 4.1Å; W227-I289 HydrophobicContact CZ3-CG2 4.49Å; W227-R291 VanDerWaalsContact CG-NH1 3.29Å; W227-R291 PolarHBondContact O-NH1 2.82Å; W227-R291 PolarHBondContact O-NH2 3.31Å; W227-I296 HydrophobicContact CH2-CD1 4.27Å; W227-I296 HydrophobicContact CH2-CG1 4.46Å; W227-I296 HydrophobicContact CH2-CG2 4.45Å; W227-I296 HydrophobicContact CZ2-CD1 3.63Å; W227-I296 HydrophobicContact CZ2-CG1 4.23Å
228N85.4Confident82.8Confident110 Ų11075.5 Ų75.559%0.58836%0.358SS*.Hα-helixtrans-84.9-11.1177.4-71.4-14.5000113.1K224 E225 S230K224-N228 WeakPolarHBondContact O-CB 3.35Å; K224-N228 VanDerWaalsContact O-CG 3.27Å; K224-N228 PolarHBondContact O-N 3.18Å; K224-N228 PolarHBondContact O-ND2 2.78Å; E225-N228 PolarHBondContact O-N 2.9Å; N228-S230 PolarHBondContact O-N 3.5Å
229K83.6Confident83Confident100 Ų10069.8 Ų69.844%0.43534%0.335SS..  trans-62.3119.4171.3-76172.9-167.4168.40110.2E225 E226 W227 D231E225-K229 WeakPolarHBondContact O-CG 2.96Å; E225-K229 PolarHBondContact O-N 3.14Å; E225-K229 VanDerWaalsContact O-N 3.16Å; E226-K229 PolarHBondContact O-N 3.3Å; E226-K229 WeakPolarHBondContact OE2-CD 3.43Å; E226-K229 IonicContact OE2-NZ 2.68Å; E226-K229 PolarHBondContact OE2-NZ 2.92Å; W227-K229 VanDerWaalsContact C-N 3.35Å; K229-D231 VanDerWaalsContact C-N 3.33Å; K229-D231 PolarHBondContact O-N 2.92Å; K229-D231 VanDerWaalsContact O-N 3.09Å
230S63.3Low83.2Confident110 Ų11065.4 Ų65.477%0.76931%0.312SS*.  trans-81.479.3174.956.30000109.8N228 Q232N228-S230 PolarHBondContact O-N 3.5Å; S230-Q232 PolarHBondContact O-N 3.38Å
231D66.8Low83.3Confident54 Ų5464 Ų6429%0.28930%0.3SS..  trans-8791.5170.3-67.2-35.9000108.5K229 Y233 W234 K236K229-D231 VanDerWaalsContact C-N 3.33Å; K229-D231 PolarHBondContact O-N 2.92Å; K229-D231 VanDerWaalsContact O-N 3.09Å; D231-Y233 PolarHBondContact O-N 3.48Å; D231-Y233 VanDerWaalsContact O-N 3.13Å; D231-W234 HydrophobicContact CB-CE3 4.12Å; D231-K236 WeakPolarHBondContact OD2-CE 3.43Å; D231-K236 IonicContact OD2-NZ 2.94Å; D231-K236 PolarHBondContact OD2-NZ 3.37Å
232Q61.2Low83.4Confident138 Ų13859.1 Ų59.165%0.64528%0.279SS*.SBendtrans-66.4-14.8-170.9-165166.2-4.400113.7S230 P293S230-Q232 PolarHBondContact O-N 3.38Å; Q232-P293 WeakPolarHBondContact O-CB 3.01Å
233Y64Low83.3Confident154 Ų15454.8 Ų54.860%0.60426%0.26SS*.SBendtrans-121.4-13.7-169.8-59.4-75.5000115.4D231D231-Y233 PolarHBondContact O-N 3.48Å; D231-Y233 VanDerWaalsContact O-N 3.13Å
234W76.4Confident82.9Confident142 Ų14260.9 Ų60.954%0.53829%0.292SS..  trans-103.5128.1-176.6-72.1-56.9000112.2D231D231-W234 HydrophobicContact CB-CE3 4.12Å
235L88.1Confident82.9Confident1 Ų159.1 Ų59.11%0.00529%0.286CS..EExtended strand (participates in β ladder)trans-76.5124.9167.7-179.8157.3000107.9V261 E262 L290 T292L235-V261 HydrophobicContact CD2-CB 3.99Å; L235-V261 HydrophobicContact CD2-CG1 3.36Å; L235-V261 HydrophobicContact CD2-CG2 3.68Å; L235-V261 WeakPolarHBondContact O-CA 3.45Å; L235-E262 PolarHBondContact O-N 3.05Å; L235-L290 HydrophobicContact CD1-CD1 4.23Å; L235-L290 HydrophobicContact CD1-CD2 4.46Å; L235-L290 HydrophobicContact CD2-CD1 3.34Å; L235-L290 HydrophobicContact CD2-CG 4.39Å; L235-L290 HydrophobicContact CG-CD1 3.86Å; L235-L290 HydrophobicContact CG-CG 4.43Å; L235-T292 HydrophobicContact CD1-CG2 3.94Å; L235-T292 HydrophobicContact CG-CG2 4.18Å
236K91.3Very high83Confident5 Ų554.1 Ų54.12%0.02226%0.263CS..EExtended strand (participates in β ladder)trans-113.9133.5-179.4-56.9-166.4176.7-163.70110.1E226 D231 Y238 E262 I264 R291E226-K236 IonicContact OE1-NZ 2.77Å; E226-K236 PolarHBondContact OE1-NZ 2.7Å; D231-K236 WeakPolarHBondContact OD2-CE 3.43Å; D231-K236 IonicContact OD2-NZ 2.94Å; D231-K236 PolarHBondContact OD2-NZ 3.37Å; K236-Y238 HydrophobicContact CB-CD2 4.35Å; K236-Y238 HydrophobicContact CB-CE2 3.7Å; K236-Y238 HydrophobicContact CD-CE2 4.32Å; K236-E262 CarbonylContact C-O 3.57Å; K236-E262 WeakPolarHBondContact CA-O 3.46Å; K236-E262 WeakPolarHBondContact CE-OE2 3.41Å; K236-E262 HydrophobicContact CG-CB 4.21Å; K236-E262 IonicContact NZ-OE2 3.93Å; K236-E262 PolarHBondContact NZ-OE2 2.92Å; K236-I264 HydrophobicContact CD-CD1 4.03Å; K236-R291 HydrophobicContact CB-CB 4.43Å; K236-R291 PolarHBondContact N-O 3Å; K236-R291 PolarHBondContact O-N 3.35Å
237I92.8Very high83.1Confident2 Ų253.8 Ų53.81%0.0126%0.262CS..EExtended strand (participates in β ladder)trans-112.5121.8172.1-170.5170.3000109.5F250 V261 E262 F263 I264 L290 M312I237-F250 HydrophobicContact CD1-CE2 4.14Å; I237-F250 HydrophobicContact CG1-CE2 4.16Å; I237-F250 HydrophobicContact CG2-CE2 4.07Å; I237-F250 HydrophobicContact CG2-CZ 4.07Å; I237-V261 HydrophobicContact CB-CG1 4.48Å; I237-V261 HydrophobicContact CG2-CG1 3.93Å; I237-E262 PolarHBondContact N-O 2.77Å; I237-F263 HydrophobicContact CG2-CB 4.11Å; I237-F263 HydrophobicContact CG2-CD1 3.4Å; I237-F263 VanDerWaalsContact CG2-CD1 3.4Å; I237-F263 HydrophobicContact CG2-CD2 3.86Å; I237-F263 HydrophobicContact CG2-CE1 3.63Å; I237-F263 HydrophobicContact CG2-CE2 4.07Å; I237-F263 HydrophobicContact CG2-CG 3.51Å; I237-F263 HydrophobicContact CG2-CZ 3.96Å; I237-I264 PolarHBondContact O-N 3.16Å; I237-L290 HydrophobicContact CB-CD1 4.2Å; I237-L290 HydrophobicContact CG1-CD1 4.5Å; I237-M312 HydrophobicContact CD1-CE 4.38Å; I237-M312 HydrophobicContact CD1-SD 4.08Å
238Y92.8Very high83.2Confident0 Ų052.8 Ų52.80%026%0.259CS..EExtended strand (participates in β ladder)trans-103.9127.3177.7-65.4-96.3000109.2L223 W227 K236 F240 I264 V266 Y288 I289 R291L223-Y238 HydrophobicContact CD1-CD1 4.17Å; L223-Y238 HydrophobicContact CD1-CE1 3.97Å; W227-Y238 HydrophobicContact CE3-CE1 4.32Å; W227-Y238 HydrophobicContact CE3-CE2 4.09Å; W227-Y238 AromaticContact CE3-CZ 3.97Å; W227-Y238 AromaticContact CZ3-CD2 3.95Å; W227-Y238 HydrophobicContact CZ3-CD2 3.95Å; W227-Y238 AromaticContact CZ3-CE2 3.86Å; W227-Y238 HydrophobicContact CZ3-CE2 3.86Å; W227-Y238 HydrophobicContact CZ3-CG 4.37Å; K236-Y238 HydrophobicContact CB-CD2 4.35Å; K236-Y238 HydrophobicContact CB-CE2 3.7Å; K236-Y238 HydrophobicContact CD-CE2 4.32Å; Y238-F240 VanDerWaalsContact CB-CE2 3.44Å; Y238-F240 HydrophobicContact CD1-CZ 4.46Å; Y238-F240 HydrophobicContact CG-CE2 4.26Å; Y238-F240 HydrophobicContact CG-CZ 4.48Å; Y238-I264 CarbonylContact C-O 3.58Å; Y238-I264 WeakPolarHBondContact CA-O 3.46Å; Y238-I264 HydrophobicContact CD1-CB 3.87Å; Y238-I264 HydrophobicContact CD1-CD1 4.2Å; Y238-I264 HydrophobicContact CD1-CG2 3.77Å; Y238-I264 HydrophobicContact CE1-CB 4.06Å; Y238-I264 HydrophobicContact CE1-CD1 3.53Å; Y238-I264 HydrophobicContact CE1-CG1 4.38Å; Y238-I264 HydrophobicContact CE1-CG2 3.89Å; Y238-I264 HydrophobicContact CE2-CD1 4.41Å; Y238-I264 HydrophobicContact CG-CB 4.47Å; Y238-V266 HydrophobicContact CD1-CG2 4.16Å; Y238-Y288 WeakPolarHBondContact O-CA 3.33Å; Y238-I289 PolarHBondContact N-O 3.01Å; Y238-I289 PolarHBondContact O-N 2.78Å; Y238-R291 HydrophobicContact CE2-CB 4.13Å
239L93Very high83.4Confident0 Ų047.6 Ų47.60%023%0.232CC..EExtended strand (participates in β ladder)trans-106111.1167.8170.353.8000108.9A241 P247 F250 I264 F265 V266 P286 Y288L239-A241 HydrophobicContact CD1-CB 4.15Å; L239-A241 HydrophobicContact CG-CB 4.31Å; L239-P247 VanDerWaalsContact CD2-CD 3.5Å; L239-P247 HydrophobicContact CD2-CG 4.04Å; L239-F250 HydrophobicContact CB-CD2 4.48Å; L239-F250 HydrophobicContact CB-CE1 4.13Å; L239-F250 HydrophobicContact CB-CE2 3.96Å; L239-F250 HydrophobicContact CB-CZ 3.75Å; L239-F250 HydrophobicContact CD2-CD1 4.26Å; L239-F250 HydrophobicContact CD2-CD2 4.31Å; L239-F250 HydrophobicContact CD2-CG 4.14Å; L239-I264 PolarHBondContact N-O 2.91Å; L239-F265 HydrophobicContact CB-CD2 4.13Å; L239-F265 HydrophobicContact CD2-CD2 3.79Å; L239-F265 HydrophobicContact CD2-CE2 3.98Å; L239-F265 HydrophobicContact CG-CD2 3.82Å; L239-F265 HydrophobicContact CG-CE2 4.02Å; L239-V266 PolarHBondContact O-N 3.27Å; L239-P286 HydrophobicContact CD1-CB 4.22Å; L239-Y288 HydrophobicContact CB-CD1 4.42Å; L239-Y288 HydrophobicContact CB-CE1 4.33Å; L239-Y288 HydrophobicContact CD1-CD1 3.91Å; L239-Y288 HydrophobicContact CD1-CD2 4.4Å; L239-Y288 HydrophobicContact CD1-CE1 3.49Å; L239-Y288 VanDerWaalsContact CD1-CE1 3.49Å; L239-Y288 HydrophobicContact CD1-CE2 4.01Å; L239-Y288 HydrophobicContact CD1-CG 4.34Å; L239-Y288 HydrophobicContact CD2-CE1 3.99Å; L239-Y288 HydrophobicContact CG-CE1 4.13Å
240F90.6Very high83.8Confident0 Ų042.9 Ų42.90%021%0.211CC..EExtended strand (participates in β ladder)trans-93.3114.5171.6-63.2-93.9000108.6L223 Y238 V266 V268 M277 I282 P286 S287 I289L223-F240 HydrophobicContact CD1-CE1 4.48Å; L223-F240 HydrophobicContact CD1-CZ 4.45Å; L223-F240 HydrophobicContact CD2-CE1 3.67Å; L223-F240 HydrophobicContact CD2-CZ 4.16Å; Y238-F240 VanDerWaalsContact CB-CE2 3.44Å; Y238-F240 HydrophobicContact CD1-CZ 4.46Å; Y238-F240 HydrophobicContact CG-CE2 4.26Å; Y238-F240 HydrophobicContact CG-CZ 4.48Å; F240-V266 HydrophobicContact CD1-CB 3.72Å; F240-V266 HydrophobicContact CD1-CG1 3.73Å; F240-V266 HydrophobicContact CD1-CG2 4.09Å; F240-V266 HydrophobicContact CE1-CB 3.99Å; F240-V266 HydrophobicContact CE1-CG1 3.88Å; F240-V266 HydrophobicContact CE1-CG2 3.89Å; F240-V266 HydrophobicContact CG-CB 4.3Å; F240-V266 HydrophobicContact CZ-CG2 4.24Å; F240-V268 HydrophobicContact CB-CG2 4.39Å; F240-V268 HydrophobicContact CD1-CG2 4.18Å; F240-M277 HydrophobicContact CD1-CE 4Å; F240-I282 HydrophobicContact CD1-CD1 3.57Å; F240-I282 HydrophobicContact CD2-CD1 3.72Å; F240-I282 HydrophobicContact CD2-CG1 4.47Å; F240-I282 HydrophobicContact CE1-CD1 3.49Å; F240-I282 VanDerWaalsContact CE1-CD1 3.49Å; F240-I282 HydrophobicContact CE2-CD1 3.68Å; F240-I282 HydrophobicContact CG-CD1 3.67Å; F240-I282 HydrophobicContact CZ-CD1 3.57Å; F240-P286 CarbonylContact O-C 3.42Å; F240-P286 WeakPolarHBondContact O-CA 3.36Å; F240-P286 WeakPolarHBondContact O-CB 3.47Å; F240-S287 PolarHBondContact N-O 3.01Å; F240-S287 PolarHBondContact O-N 2.94Å; F240-I289 HydrophobicContact CD2-CD1 3.97Å; F240-I289 HydrophobicContact CD2-CG1 4.39Å; F240-I289 HydrophobicContact CE2-CB 4.13Å; F240-I289 HydrophobicContact CE2-CD1 3.62Å; F240-I289 HydrophobicContact CE2-CG1 4.2Å; F240-I289 HydrophobicContact CZ-CD1 4.47Å
241A89.4Confident85Confident0 Ų037.6 Ų37.60%017%0.174CC..EExtended strand (participates in β ladder)trans-150.1158.8-179.500000112.4L239 L243 F265 V266 V268 P286L239-A241 HydrophobicContact CD1-CB 4.15Å; L239-A241 HydrophobicContact CG-CB 4.31Å; A241-L243 HydrophobicContact CB-CB 4.45Å; A241-L243 HydrophobicContact CB-CD1 3.98Å; A241-L243 HydrophobicContact CB-CG 4.06Å; A241-L243 PolarHBondContact O-N 2.82Å; A241-F265 HydrophobicContact CB-CE2 3.98Å; A241-F265 HydrophobicContact CB-CZ 4.46Å; A241-V266 PolarHBondContact N-O 2.93Å; A241-V266 VanDerWaalsContact N-O 3.11Å; A241-V268 PolarHBondContact O-N 3.32Å; A241-P286 HydrophobicContact CB-CB 3.76Å
242N87.1Confident86.1Confident56 Ų5635.7 Ų35.730%0.29917%0.166SC..SBendtrans-95.968.6170.1-68.2-19.9000109.1E269 M285N242-E269 PolarHBondContact OD1-N 2.64Å; N242-M285 WeakPolarHBondContact OD1-CE 3.49Å
243L85.4Confident87.5Confident12 Ų1229.2 Ų29.26%0.06314%0.136CC..  trans-134.6142.7-179-63171000109.8L57 L71 K74 A241 Q245 P247 F265 N267L57-L243 HydrophobicContact CD1-CD1 4.44Å; L57-L243 HydrophobicContact CD1-CD2 4.39Å; L57-L243 HydrophobicContact CD2-CD1 4.26Å; L71-L243 HydrophobicContact CD1-CD2 4.04Å; K74-L243 HydrophobicContact CB-CD2 4.48Å; A241-L243 HydrophobicContact CB-CB 4.45Å; A241-L243 HydrophobicContact CB-CD1 3.98Å; A241-L243 HydrophobicContact CB-CG 4.06Å; A241-L243 PolarHBondContact O-N 2.82Å; L243-Q245 VanDerWaalsContact C-N 3.26Å; L243-Q245 PolarHBondContact O-N 3.01Å; L243-P247 HydrophobicContact CD1-CG 4.09Å; L243-F265 HydrophobicContact CB-CZ 4.03Å; L243-F265 VanDerWaalsContact O-CZ 3.32Å; L243-F265 WeakPolarHBondContact O-CZ 3.11Å; L243-N267 PolarHBondContact O-ND2 3.49Å
244D81.9Confident88.7Confident127 Ų12722.3 Ų22.368%0.67911%0.11SC*.SBendtrans-62.5-34.9175.9-66.8-34.9000112.7
245Q85.2Confident89.1Confident78 Ų7815.8 Ų15.836%0.3649%0.086SC..SBendtrans-138.8149.5-176.3-66.3-173.3-13.900110.2L243L243-Q245 VanDerWaalsContact C-N 3.26Å; L243-Q245 PolarHBondContact O-N 3.01Å
246P90.1Very high89Confident10 Ų1019.7 Ų19.77%0.06510%0.102CC..  trans-63.4146.5174.526.7-34.1000110.9A211 I214 F250 F265A211-P246 HydrophobicContact CB-CG 3.53Å; I214-P246 HydrophobicContact CD1-CB 4.15Å; I214-P246 HydrophobicContact CD1-CG 3.99Å; P246-F250 HydrophobicContact CB-CD1 4.18Å; P246-F265 HydrophobicContact CB-CB 4.22Å; P246-F265 HydrophobicContact CB-CD1 4.45Å; P246-F265 HydrophobicContact CB-CD2 3.88Å; P246-F265 HydrophobicContact CB-CE2 4.36Å; P246-F265 HydrophobicContact CB-CG 3.93Å; P246-F265 HydrophobicContact CG-CG 4.47Å
247P90.6Very high88.8Confident2 Ų219.4 Ų19.41%0.01310%0.101CC..  trans-54.4148173.4-25.133.7000112.9R55 L57 L239 L243 F249 F250 S251R55-P247 WeakPolarHBondContact O-CB 3.31Å; L57-P247 HydrophobicContact CD2-CB 4.26Å; L57-P247 HydrophobicContact CD2-CG 4.26Å; L239-P247 VanDerWaalsContact CD2-CD 3.5Å; L239-P247 HydrophobicContact CD2-CG 4.04Å; L243-P247 HydrophobicContact CD1-CG 4.09Å; P247-F249 VanDerWaalsContact C-N 3.31Å; P247-F249 HydrophobicContact CB-CD1 3.65Å; P247-F249 HydrophobicContact CB-CE1 3.47Å; P247-F249 VanDerWaalsContact CB-CE1 3.47Å; P247-F249 HydrophobicContact CB-CZ 4.35Å; P247-F249 HydrophobicContact CG-CE1 4.05Å; P247-F249 PolarHBondContact O-N 3.04Å; P247-F250 HydrophobicContact CB-CB 4.43Å; P247-F250 WeakPolarHBondContact O-CB 3.49Å; P247-F250 PolarHBondContact O-N 3.44Å; P247-S251 PolarHBondContact O-N 2.68Å; P247-S251 VanDerWaalsContact O-N 3.14Å; P247-S251 PolarHBondContact O-OG 3.21Å
248A88.6Confident88.4Confident7 Ų721 Ų216%0.05811%0.111CC..Hα-helixtrans-62.6-37.1-177.700000112.7G56 F147 F203 T207 F250 S251 A252G56-A248 WeakPolarHBondContact O-CB 3.32Å; G56-A248 PolarHBondContact O-N 3.34Å; F147-A248 HydrophobicContact CD1-CB 4.06Å; F147-A248 HydrophobicContact CE1-CB 3.97Å; F147-A248 HydrophobicContact CG-CB 4.37Å; F147-A248 HydrophobicContact CZ-CB 4.21Å; F203-A248 HydrophobicContact CZ-CB 4.03Å; T207-A248 HydrophobicContact CG2-CB 3.48Å; T207-A248 VanDerWaalsContact CG2-CB 3.48Å; A248-F250 VanDerWaalsContact C-N 3.3Å; A248-F250 PolarHBondContact O-N 3.36Å; A248-S251 WeakPolarHBondContact O-CB 3.45Å; A248-S251 PolarHBondContact O-N 3.15Å; A248-A252 WeakPolarHBondContact O-CB 3.36Å; A248-A252 PolarHBondContact O-N 2.79Å
249F88.8Confident87.8Confident2 Ų223.2 Ų23.21%0.00913%0.134CC..Hα-helixtrans-63.4-38.217878.6-92.2000111.8R55 F147 P247 S251 A252 L253 Y288 I307 L309R55-F249 VanDerWaalsContact O-CD1 3.29Å; R55-F249 WeakPolarHBondContact O-CD1 3.36Å; F147-F249 HydrophobicContact CD1-CB 4.03Å; F147-F249 HydrophobicContact CE1-CB 4.02Å; P247-F249 VanDerWaalsContact C-N 3.31Å; P247-F249 HydrophobicContact CB-CD1 3.65Å; P247-F249 HydrophobicContact CB-CE1 3.47Å; P247-F249 VanDerWaalsContact CB-CE1 3.47Å; P247-F249 HydrophobicContact CB-CZ 4.35Å; P247-F249 HydrophobicContact CG-CE1 4.05Å; P247-F249 PolarHBondContact O-N 3.04Å; F249-S251 VanDerWaalsContact C-N 3.33Å; F249-A252 PolarHBondContact O-N 2.9Å; F249-L253 HydrophobicContact CD2-CD1 4.04Å; F249-L253 VanDerWaalsContact O-CG 3.27Å; F249-L253 WeakPolarHBondContact O-CG 3.36Å; F249-L253 PolarHBondContact O-N 3.33Å; F249-Y288 HydrophobicContact CE2-CE1 4.48Å; F249-Y288 HydrophobicContact CZ-CE1 4.17Å; F249-Y288 AromaticContact CZ-CZ 4Å; F249-Y288 WeakPolarHBondContact CZ-OH 3.18Å; F249-I307 HydrophobicContact CE1-CG2 4.16Å; F249-I307 HydrophobicContact CZ-CG2 3.73Å; F249-L309 HydrophobicContact CB-CB 3.95Å; F249-L309 HydrophobicContact CB-CD1 3.9Å; F249-L309 HydrophobicContact CB-CG 4.31Å
250F91.3Very high87.3Confident0 Ų025 Ų250%014%0.141CC..Hα-helixtrans-64.9-41.2176.9-169.1-103.8000110.8I214 I237 L239 P246 P247 A248 L253 S254 F263 Y288I214-F250 HydrophobicContact CD1-CD1 3.69Å; I214-F250 HydrophobicContact CD1-CE1 4.15Å; I214-F250 HydrophobicContact CG2-CE1 4.24Å; I237-F250 HydrophobicContact CD1-CE2 4.14Å; I237-F250 HydrophobicContact CG1-CE2 4.16Å; I237-F250 HydrophobicContact CG2-CE2 4.07Å; I237-F250 HydrophobicContact CG2-CZ 4.07Å; L239-F250 HydrophobicContact CB-CD2 4.48Å; L239-F250 HydrophobicContact CB-CE1 4.13Å; L239-F250 HydrophobicContact CB-CE2 3.96Å; L239-F250 HydrophobicContact CB-CZ 3.75Å; L239-F250 HydrophobicContact CD2-CD1 4.26Å; L239-F250 HydrophobicContact CD2-CD2 4.31Å; L239-F250 HydrophobicContact CD2-CG 4.14Å; P246-F250 HydrophobicContact CB-CD1 4.18Å; P247-F250 HydrophobicContact CB-CB 4.43Å; P247-F250 WeakPolarHBondContact O-CB 3.49Å; P247-F250 PolarHBondContact O-N 3.44Å; A248-F250 VanDerWaalsContact C-N 3.3Å; A248-F250 PolarHBondContact O-N 3.36Å; F250-L253 PolarHBondContact O-N 3.49Å; F250-S254 PolarHBondContact O-N 3.3Å; F250-S254 VanDerWaalsContact O-N 3.09Å; F250-F263 HydrophobicContact CD1-CD1 4.1Å; F250-F263 AromaticContact CD2-CD1 3.83Å; F250-F263 HydrophobicContact CD2-CD1 3.83Å; F250-F263 HydrophobicContact CD2-CE1 4.08Å; F250-F263 HydrophobicContact CE1-CB 3.95Å; F250-F263 AromaticContact CE1-CD1 3.79Å; F250-F263 HydrophobicContact CE1-CD1 3.79Å; F250-F263 HydrophobicContact CE1-CG 4.38Å; F250-F263 AromaticContact CE2-CD1 3.5Å; F250-F263 HydrophobicContact CE2-CD1 3.5Å; F250-F263 AromaticContact CE2-CE1 3.96Å; F250-F263 HydrophobicContact CE2-CE1 3.96Å; F250-F263 HydrophobicContact CG-CD1 4.12Å; F250-F263 HydrophobicContact CZ-CB 4.04Å; F250-F263 AromaticContact CZ-CD1 3.49Å; F250-F263 HydrophobicContact CZ-CD1 3.49Å; F250-F263 VanDerWaalsContact CZ-CD1 3.49Å; F250-F263 HydrophobicContact CZ-CE1 4.39Å; F250-F263 HydrophobicContact CZ-CG 4.19Å; F250-Y288 HydrophobicContact CD2-CE1 4.2Å; F250-Y288 HydrophobicContact CE2-CD1 4.47Å; F250-Y288 HydrophobicContact CE2-CE1 4.48Å
251S90.2Very high87.2Confident0 Ų025.4 Ų25.40%014%0.143CC..Hα-helixtrans-63.5-43.1174.2-54.60000112.6I214 P247 A248 F249 S254I214-S251 VanDerWaalsContact CD1-CA 3.5Å; I214-S251 WeakPolarHBondContact CD1-OG 3.17Å; P247-S251 PolarHBondContact O-N 2.68Å; P247-S251 VanDerWaalsContact O-N 3.14Å; P247-S251 PolarHBondContact O-OG 3.21Å; A248-S251 WeakPolarHBondContact O-CB 3.45Å; A248-S251 PolarHBondContact O-N 3.15Å; F249-S251 VanDerWaalsContact C-N 3.33Å; S251-S254 PolarHBondContact O-N 3.37Å; S251-S254 PolarHBondContact O-OG 3.13Å
252A89.4Confident87.2Confident14 Ų1428.3 Ų28.312%0.11616%0.157CC..Hα-helixtrans-62.9-44.2176.600000112.4F147 A248 F249 S254 I255 K256 L309F147-A252 HydrophobicContact CB-CB 4.19Å; F147-A252 WeakPolarHBondContact O-CB 3.28Å; A248-A252 WeakPolarHBondContact O-CB 3.36Å; A248-A252 PolarHBondContact O-N 2.79Å; F249-A252 PolarHBondContact O-N 2.9Å; A252-S254 VanDerWaalsContact C-N 3.3Å; A252-S254 PolarHBondContact O-N 3.04Å; A252-I255 PolarHBondContact O-N 3.46Å; A252-I255 VanDerWaalsContact O-N 3.16Å; A252-K256 PolarHBondContact O-N 3.46Å; A252-L309 HydrophobicContact CB-CD1 4.37Å
253L89.8Confident87.5Confident2 Ų226.1 Ų26.11%0.0115%0.145CC..Hα-helixtrans-61.9-37.9176.9-69.7170.7000111.8F249 F250 I255 K256 F257 F263 M312 D313F249-L253 HydrophobicContact CD2-CD1 4.04Å; F249-L253 VanDerWaalsContact O-CG 3.27Å; F249-L253 WeakPolarHBondContact O-CG 3.36Å; F249-L253 PolarHBondContact O-N 3.33Å; F250-L253 PolarHBondContact O-N 3.49Å; L253-I255 PolarHBondContact O-N 2.88Å; L253-I255 VanDerWaalsContact O-N 3.13Å; L253-K256 PolarHBondContact O-N 3.39Å; L253-K256 VanDerWaalsContact O-N 3.1Å; L253-F257 HydrophobicContact CD2-CE2 4.08Å; L253-F257 WeakPolarHBondContact O-CD2 3.4Å; L253-F257 PolarHBondContact O-N 3.3Å; L253-F263 HydrophobicContact CB-CE1 3.65Å; L253-F263 HydrophobicContact CB-CZ 3.68Å; L253-M312 HydrophobicContact CD1-CB 3.87Å; L253-M312 HydrophobicContact CD1-CG 3.53Å; L253-D313 HydrophobicContact CD2-CB 3.86Å
254S89.2Confident87.8Confident8 Ų825.5 Ų25.56%0.05614%0.142CC..Hα-helixtrans-58.2-28.8176.981.30000114F250 S251 A252 F263F250-S254 PolarHBondContact O-N 3.3Å; F250-S254 VanDerWaalsContact O-N 3.09Å; S251-S254 PolarHBondContact O-N 3.37Å; S251-S254 PolarHBondContact O-OG 3.13Å; A252-S254 VanDerWaalsContact C-N 3.3Å; A252-S254 PolarHBondContact O-N 3.04Å; S254-F263 VanDerWaalsContact CA-CD2 3.46Å
255I85.9Confident88.4Confident6 Ų619.5 Ų19.53%0.03111%0.109CC..Hα-helixtrans-82.6-39.7178.7-64.9169.9000110.3I118 P178 A252 L253 F257 T258I118-I255 HydrophobicContact CD1-CD1 3.21Å; I118-I255 HydrophobicContact CG1-CD1 3.31Å; P178-I255 HydrophobicContact CG-CG2 3.95Å; A252-I255 PolarHBondContact O-N 3.46Å; A252-I255 VanDerWaalsContact O-N 3.16Å; L253-I255 PolarHBondContact O-N 2.88Å; L253-I255 VanDerWaalsContact O-N 3.13Å; I255-F257 VanDerWaalsContact C-N 3.33Å; I255-F257 PolarHBondContact O-N 3.03Å; I255-T258 WeakPolarHBondContact O-CB 3.4Å; I255-T258 PolarHBondContact O-N 2.79Å; I255-T258 PolarHBondContact O-OG1 3.2Å
256K85.8Confident88.7Confident82 Ų8215.8 Ų15.836%0.3579%0.092SC..Hα-helixtrans-64.2-36.6178-172172.5-177.1176.20113.2A252 L253 D313A252-K256 PolarHBondContact O-N 3.46Å; L253-K256 PolarHBondContact O-N 3.39Å; L253-K256 VanDerWaalsContact O-N 3.1Å; K256-D313 VanDerWaalsContact CD-OD1 3.31Å; K256-D313 WeakPolarHBondContact CD-OD1 3.37Å; K256-D313 WeakPolarHBondContact CE-OD1 3.21Å; K256-D313 IonicContact NZ-OD1 3.29Å; K256-D313 PolarHBondContact NZ-OD1 2.98Å; K256-D313 IonicContact NZ-OD2 3.58Å; K256-D313 PolarHBondContact NZ-OD2 3.11Å
257F86.8Confident88.7Confident0 Ų015.9 Ų15.90%09%0.092CC..THydrogen-bonded Turntrans-100.925.9-179.1-68.3-92.3000113.1L253 I255 G259 R260 V261 F263 D313 L316 R317L253-F257 HydrophobicContact CD2-CE2 4.08Å; L253-F257 WeakPolarHBondContact O-CD2 3.4Å; L253-F257 PolarHBondContact O-N 3.3Å; I255-F257 VanDerWaalsContact C-N 3.33Å; I255-F257 PolarHBondContact O-N 3.03Å; F257-G259 PolarHBondContact O-N 3.06Å; F257-R260 VanDerWaalsContact CD1-CZ 3.47Å; F257-R260 VanDerWaalsContact CD1-NH2 3.31Å; F257-R260 PolarHBondContact O-N 3.47Å; F257-V261 HydrophobicContact CB-CB 3.91Å; F257-V261 HydrophobicContact CB-CG2 4Å; F257-V261 HydrophobicContact CD1-CG2 4.08Å; F257-V261 HydrophobicContact CG-CG2 4.31Å; F257-V261 PolarHBondContact O-N 3.34Å; F257-F263 HydrophobicContact CB-CE2 4.08Å; F257-D313 WeakPolarHBondContact CE2-OD1 3.32Å; F257-L316 HydrophobicContact CD1-CB 4.32Å; F257-L316 HydrophobicContact CD2-CD1 4.14Å; F257-L316 HydrophobicContact CE1-CB 3.62Å; F257-L316 HydrophobicContact CE2-CB 3.89Å; F257-L316 HydrophobicContact CE2-CD1 3.98Å; F257-L316 HydrophobicContact CZ-CB 3.36Å; F257-L316 HydrophobicContact CZ-CD1 4.32Å; F257-L316 HydrophobicContact CZ-CG 4.5Å; F257-R317 HydrophobicContact CE1-CG 4.3Å; F257-R317 HydrophobicContact CZ-CG 3.94Å
258T84.1Confident88.4Confident34 Ų3416.3 Ų16.321%0.2099%0.094CC..THydrogen-bonded Turntrans-49.1126.3178.1-64.60000111.7S181 R213 I255 R260S181-T258 WeakPolarHBondContact O-CG2 3.16Å; R213-T258 VanDerWaalsContact CZ-OG1 3.25Å; R213-T258 PolarHBondContact NH1-OG1 2.91Å; R213-T258 VanDerWaalsContact NH2-CB 3.34Å; R213-T258 PolarHBondContact NH2-OG1 3.44Å; I255-T258 WeakPolarHBondContact O-CB 3.4Å; I255-T258 PolarHBondContact O-N 2.79Å; I255-T258 PolarHBondContact O-OG1 3.2Å; T258-R260 PolarHBondContact O-N 3.14Å
259G79.8Confident88Confident47 Ų4720.8 Ų20.849%0.48511%0.114SC..THydrogen-bonded Turntrans77.1-4.9176.900000115.2F257F257-G259 PolarHBondContact O-N 3.06Å
260R83.9Confident87.4Confident37 Ų3727.1 Ų27.114%0.1415%0.148CC..THydrogen-bonded Turntrans-107.6-44.9176.3-65.4-170.7-71.3132.8-3.9111.9F257 T258 Q320 E322F257-R260 VanDerWaalsContact CD1-CZ 3.47Å; F257-R260 VanDerWaalsContact CD1-NH2 3.31Å; F257-R260 PolarHBondContact O-N 3.47Å; T258-R260 PolarHBondContact O-N 3.14Å; R260-Q320 PolarHBondContact NH1-O 3.42Å; R260-Q320 PolarHBondContact O-OE1 3Å; R260-E322 IonicContact CZ-OE1 3.16Å; R260-E322 IonicContact NE-OE1 3.09Å; R260-E322 PolarHBondContact NE-OE1 2.88Å; R260-E322 IonicContact NH1-OE1 3.89Å; R260-E322 IonicContact NH2-OE1 2.85Å; R260-E322 PolarHBondContact NH2-OE1 3.43Å
261V88.6Confident86.9Confident10 Ų1028.5 Ų28.56%0.06115%0.153CC..EExtended strand (participates in β ladder)trans-126.6131.2-177.6179.20000110L235 I237 F257 F263L235-V261 HydrophobicContact CD2-CB 3.99Å; L235-V261 HydrophobicContact CD2-CG1 3.36Å; L235-V261 HydrophobicContact CD2-CG2 3.68Å; L235-V261 WeakPolarHBondContact O-CA 3.45Å; I237-V261 HydrophobicContact CB-CG1 4.48Å; I237-V261 HydrophobicContact CG2-CG1 3.93Å; F257-V261 HydrophobicContact CB-CB 3.91Å; F257-V261 HydrophobicContact CB-CG2 4Å; F257-V261 HydrophobicContact CD1-CG2 4.08Å; F257-V261 HydrophobicContact CG-CG2 4.31Å; F257-V261 PolarHBondContact O-N 3.34Å; V261-F263 HydrophobicContact CB-CD2 4.36Å; V261-F263 HydrophobicContact CB-CE2 3.83Å; V261-F263 HydrophobicContact CG1-CD2 3.87Å; V261-F263 HydrophobicContact CG1-CE2 3.49Å; V261-F263 VanDerWaalsContact CG1-CE2 3.49Å; V261-F263 HydrophobicContact CG1-CZ 4.19Å
262E89.4Confident85.9Confident60 Ų6036.1 Ų36.128%0.2819%0.194SC..EExtended strand (participates in β ladder)trans-93124.5173-169.3179.3-16300110.3L235 K236 I237 I264L235-E262 PolarHBondContact O-N 3.05Å; K236-E262 CarbonylContact C-O 3.57Å; K236-E262 WeakPolarHBondContact CA-O 3.46Å; K236-E262 WeakPolarHBondContact CE-OE2 3.41Å; K236-E262 HydrophobicContact CG-CB 4.21Å; K236-E262 IonicContact NZ-OE2 3.93Å; K236-E262 PolarHBondContact NZ-OE2 2.92Å; I237-E262 PolarHBondContact N-O 2.77Å; E262-I264 HydrophobicContact CG-CD1 4.48Å; E262-I264 HydrophobicContact CG-CG1 4.25Å
263F92.3Very high84.8Confident10 Ų1040.6 Ų40.64%0.04422%0.216CC..EExtended strand (participates in β ladder)trans-99.4127178.5-74.1-114000109.5I214 I237 F250 L253 S254 F257 V261 L316I214-F263 HydrophobicContact CG1-CB 4.31Å; I237-F263 HydrophobicContact CG2-CB 4.11Å; I237-F263 HydrophobicContact CG2-CD1 3.4Å; I237-F263 VanDerWaalsContact CG2-CD1 3.4Å; I237-F263 HydrophobicContact CG2-CD2 3.86Å; I237-F263 HydrophobicContact CG2-CE1 3.63Å; I237-F263 HydrophobicContact CG2-CE2 4.07Å; I237-F263 HydrophobicContact CG2-CG 3.51Å; I237-F263 HydrophobicContact CG2-CZ 3.96Å; F250-F263 HydrophobicContact CD1-CD1 4.1Å; F250-F263 AromaticContact CD2-CD1 3.83Å; F250-F263 HydrophobicContact CD2-CD1 3.83Å; F250-F263 HydrophobicContact CD2-CE1 4.08Å; F250-F263 HydrophobicContact CE1-CB 3.95Å; F250-F263 AromaticContact CE1-CD1 3.79Å; F250-F263 HydrophobicContact CE1-CD1 3.79Å; F250-F263 HydrophobicContact CE1-CG 4.38Å; F250-F263 AromaticContact CE2-CD1 3.5Å; F250-F263 HydrophobicContact CE2-CD1 3.5Å; F250-F263 AromaticContact CE2-CE1 3.96Å; F250-F263 HydrophobicContact CE2-CE1 3.96Å; F250-F263 HydrophobicContact CG-CD1 4.12Å; F250-F263 HydrophobicContact CZ-CB 4.04Å; F250-F263 AromaticContact CZ-CD1 3.49Å; F250-F263 HydrophobicContact CZ-CD1 3.49Å; F250-F263 VanDerWaalsContact CZ-CD1 3.49Å; F250-F263 HydrophobicContact CZ-CE1 4.39Å; F250-F263 HydrophobicContact CZ-CG 4.19Å; L253-F263 HydrophobicContact CB-CE1 3.65Å; L253-F263 HydrophobicContact CB-CZ 3.68Å; S254-F263 VanDerWaalsContact CA-CD2 3.46Å; F257-F263 HydrophobicContact CB-CE2 4.08Å; V261-F263 HydrophobicContact CB-CD2 4.36Å; V261-F263 HydrophobicContact CB-CE2 3.83Å; V261-F263 HydrophobicContact CG1-CD2 3.87Å; V261-F263 HydrophobicContact CG1-CE2 3.49Å; V261-F263 VanDerWaalsContact CG1-CE2 3.49Å; V261-F263 HydrophobicContact CG1-CZ 4.19Å; F263-L316 HydrophobicContact CE1-CD1 4.44Å; F263-L316 HydrophobicContact CZ-CD1 3.76Å
264I93Very high83.7Confident0 Ų048.3 Ų48.30%025%0.25CC..EExtended strand (participates in β ladder)trans-127.9127.4-178.8-58.9172.6000108.2K215 I217 E226 K236 I237 Y238 L239 E262 V266K215-I264 WeakPolarHBondContact O-CA 3.2Å; I217-I264 HydrophobicContact CD1-CG2 3.63Å; I217-I264 HydrophobicContact CG1-CG2 4.02Å; E226-I264 HydrophobicContact CG-CD1 4.18Å; K236-I264 HydrophobicContact CD-CD1 4.03Å; I237-I264 PolarHBondContact O-N 3.16Å; Y238-I264 CarbonylContact C-O 3.58Å; Y238-I264 WeakPolarHBondContact CA-O 3.46Å; Y238-I264 HydrophobicContact CD1-CB 3.87Å; Y238-I264 HydrophobicContact CD1-CD1 4.2Å; Y238-I264 HydrophobicContact CD1-CG2 3.77Å; Y238-I264 HydrophobicContact CE1-CB 4.06Å; Y238-I264 HydrophobicContact CE1-CD1 3.53Å; Y238-I264 HydrophobicContact CE1-CG1 4.38Å; Y238-I264 HydrophobicContact CE1-CG2 3.89Å; Y238-I264 HydrophobicContact CE2-CD1 4.41Å; Y238-I264 HydrophobicContact CG-CB 4.47Å; L239-I264 PolarHBondContact N-O 2.91Å; E262-I264 HydrophobicContact CG-CD1 4.48Å; E262-I264 HydrophobicContact CG-CG1 4.25Å; I264-V266 HydrophobicContact CG2-CG2 4.27Å
265F93.6Very high82.8Confident0 Ų051.1 Ų51.10%027%0.269CS..EExtended strand (participates in β ladder)trans-103.8129.6174.6178.7-110.5000109.3I214 K215 T216 I217 L239 A241 L243 P246 N267I214-F265 HydrophobicContact CG2-CB 3.77Å; K215-F265 PolarHBondContact O-N 3Å; T216-F265 CarbonylContact C-O 3.59Å; T216-F265 VanDerWaalsContact CA-O 3.26Å; T216-F265 WeakPolarHBondContact CA-O 3.48Å; T216-F265 HydrophobicContact CG2-CB 4.24Å; T216-F265 HydrophobicContact CG2-CD1 3.93Å; I217-F265 PolarHBondContact N-O 3.28Å; L239-F265 HydrophobicContact CB-CD2 4.13Å; L239-F265 HydrophobicContact CD2-CD2 3.79Å; L239-F265 HydrophobicContact CD2-CE2 3.98Å; L239-F265 HydrophobicContact CG-CD2 3.82Å; L239-F265 HydrophobicContact CG-CE2 4.02Å; A241-F265 HydrophobicContact CB-CE2 3.98Å; A241-F265 HydrophobicContact CB-CZ 4.46Å; L243-F265 HydrophobicContact CB-CZ 4.03Å; L243-F265 VanDerWaalsContact O-CZ 3.32Å; L243-F265 WeakPolarHBondContact O-CZ 3.11Å; P246-F265 HydrophobicContact CB-CB 4.22Å; P246-F265 HydrophobicContact CB-CD1 4.45Å; P246-F265 HydrophobicContact CB-CD2 3.88Å; P246-F265 HydrophobicContact CB-CE2 4.36Å; P246-F265 HydrophobicContact CB-CG 3.93Å; P246-F265 HydrophobicContact CG-CG 4.47Å; F265-N267 HydrophobicContact CE1-CB 3.93Å; F265-N267 HydrophobicContact CZ-CB 4.47Å
266V91.4Very high82.3Confident0 Ų052.8 Ų52.80%028%0.276CS..EExtended strand (participates in β ladder)trans-116.2109.6179.3-173.20000107.4I217 L223 Y238 L239 F240 A241 I264 V268 W271I217-V266 HydrophobicContact CB-CG2 4.41Å; I217-V266 WeakPolarHBondContact O-CA 3.38Å; L223-V266 HydrophobicContact CD1-CG2 4.15Å; Y238-V266 HydrophobicContact CD1-CG2 4.16Å; L239-V266 PolarHBondContact O-N 3.27Å; F240-V266 HydrophobicContact CD1-CB 3.72Å; F240-V266 HydrophobicContact CD1-CG1 3.73Å; F240-V266 HydrophobicContact CD1-CG2 4.09Å; F240-V266 HydrophobicContact CE1-CB 3.99Å; F240-V266 HydrophobicContact CE1-CG1 3.88Å; F240-V266 HydrophobicContact CE1-CG2 3.89Å; F240-V266 HydrophobicContact CG-CB 4.3Å; F240-V266 HydrophobicContact CZ-CG2 4.24Å; A241-V266 PolarHBondContact N-O 2.93Å; A241-V266 VanDerWaalsContact N-O 3.11Å; I264-V266 HydrophobicContact CG2-CG2 4.27Å; V266-V268 HydrophobicContact CG1-CG2 3.95Å; V266-W271 HydrophobicContact CG1-CH2 3.26Å; V266-W271 HydrophobicContact CG1-CZ2 3.33Å; V266-W271 HydrophobicContact CG1-CZ3 4.2Å
267N89.6Confident81.9Confident13 Ų1349.4 Ų49.47%0.0726%0.261CS..EExtended strand (participates in β ladder)trans-85.5120.5172.7-175.8-13.3000108.3I217 Y218 L243 F265 E269 W271I217-N267 PolarHBondContact O-N 3.13Å; Y218-N267 HydrophobicContact CD1-CB 3.88Å; Y218-N267 HydrophobicContact CE1-CB 4.01Å; L243-N267 PolarHBondContact O-ND2 3.49Å; F265-N267 HydrophobicContact CE1-CB 3.93Å; F265-N267 HydrophobicContact CZ-CB 4.47Å; N267-E269 VanDerWaalsContact OD1-CB 3.27Å; N267-E269 WeakPolarHBondContact OD1-CB 3.46Å; N267-E269 PolarHBondContact OD1-N 3.26Å; N267-W271 PolarHBondContact O-NE1 2.86Å
268V85Confident81.4Confident10 Ų1052.6 Ų52.66%0.06128%0.281CS..  trans-108.21.7-172.4-178.10000112.2F240 A241 V266 N270 W271 M277 M285F240-V268 HydrophobicContact CB-CG2 4.39Å; F240-V268 HydrophobicContact CD1-CG2 4.18Å; A241-V268 PolarHBondContact O-N 3.32Å; V266-V268 HydrophobicContact CG1-CG2 3.95Å; V268-N270 PolarHBondContact O-N 2.87Å; V268-W271 HydrophobicContact CB-CD2 4.29Å; V268-W271 HydrophobicContact CB-CG 4.37Å; V268-W271 HydrophobicContact CG1-CB 3.99Å; V268-W271 HydrophobicContact CG1-CD2 3.99Å; V268-W271 HydrophobicContact CG1-CE3 4.07Å; V268-W271 HydrophobicContact CG1-CG 3.97Å; V268-W271 HydrophobicContact CG2-CD2 4.27Å; V268-W271 HydrophobicContact CG2-CE3 4.28Å; V268-W271 HydrophobicContact CG2-CZ3 4.46Å; V268-W271 PolarHBondContact O-N 2.84Å; V268-M277 HydrophobicContact CB-CE 4.46Å; V268-M277 HydrophobicContact CG1-CE 3.74Å; V268-M277 HydrophobicContact CG1-SD 3.42Å; V268-M277 WeakPolarHBondContact CG1-SD 3.35Å; V268-M277 HydrophobicContact CG2-CE 3.86Å; V268-M277 HydrophobicContact CG2-SD 4.48Å; V268-M285 HydrophobicContact CB-CE 3.33Å; V268-M285 HydrophobicContact CG1-CE 3.31Å; V268-M285 HydrophobicContact CG1-SD 4.03Å; V268-M285 HydrophobicContact CG2-CE 3.92Å
269E80.3Confident81.2Confident101 Ų10157.1 Ų57.147%0.47230%0.304SS..THydrogen-bonded Turntrans-54.8-34.8-173.5-171.9172.7-164.800113.6N242 N267N242-E269 PolarHBondContact OD1-N 2.64Å; N267-E269 VanDerWaalsContact OD1-CB 3.27Å; N267-E269 WeakPolarHBondContact OD1-CB 3.46Å; N267-E269 PolarHBondContact OD1-N 3.26Å
270N76.9Confident81.1Confident136 Ų13655.7 Ų55.773%0.72729%0.285SS*.THydrogen-bonded Turntrans-110.232-176.3-63.6-24.9000113.5V268V268-N270 PolarHBondContact O-N 2.87Å
271W80.8Confident80.8Confident28 Ų2854.1 Ų54.111%0.10628%0.28CS..  trans-97.8115.2-174.9-73.825.1000112.8Y218 A220 L223 V266 N267 V268 M277Y218-W271 PolarHBondContact O-NE1 3.41Å; A220-W271 HydrophobicContact CB-CE3 4.39Å; A220-W271 HydrophobicContact CB-CH2 4.5Å; A220-W271 HydrophobicContact CB-CZ3 4.35Å; L223-W271 HydrophobicContact CB-CH2 4.02Å; L223-W271 HydrophobicContact CD2-CH2 3.53Å; L223-W271 HydrophobicContact CD2-CZ3 3.84Å; L223-W271 HydrophobicContact CG-CH2 4.37Å; V266-W271 HydrophobicContact CG1-CH2 3.26Å; V266-W271 HydrophobicContact CG1-CZ2 3.33Å; V266-W271 HydrophobicContact CG1-CZ3 4.2Å; N267-W271 PolarHBondContact O-NE1 2.86Å; V268-W271 HydrophobicContact CB-CD2 4.29Å; V268-W271 HydrophobicContact CB-CG 4.37Å; V268-W271 HydrophobicContact CG1-CB 3.99Å; V268-W271 HydrophobicContact CG1-CD2 3.99Å; V268-W271 HydrophobicContact CG1-CE3 4.07Å; V268-W271 HydrophobicContact CG1-CG 3.97Å; V268-W271 HydrophobicContact CG2-CD2 4.27Å; V268-W271 HydrophobicContact CG2-CE3 4.28Å; V268-W271 HydrophobicContact CG2-CZ3 4.46Å; V268-W271 PolarHBondContact O-N 2.84Å; W271-M277 HydrophobicContact CE3-CG 4.08Å; W271-M277 HydrophobicContact CE3-SD 3.97Å; W271-M277 HydrophobicContact CZ3-CG 4.23Å; W271-M277 HydrophobicContact CZ3-SD 4.44Å
272D67.8Low80.5Confident160 Ų16054 Ų5486%0.85628%0.279SS*.  trans-79.4-27.2-179.2-59.6-34.9000113.2K274D272-K274 PolarHBondContact O-N 3.28Å
273N66.6Low79.8Confident108 Ų10859 Ų5958%0.57830%0.296SS*.  trans-99.679.8-174.9-87.3-27.8000113S275N273-S275 PolarHBondContact O-N 3.13Å
274K67.9Low79.2Confident164 Ų16464 Ų6471%0.71332%0.324SS*.Hα-helixtrans-63-18.2173.1-68-176.9180179.20113.9D272 M277 T278D272-K274 PolarHBondContact O-N 3.28Å; K274-M277 WeakPolarHBondContact O-CB 3.33Å; K274-M277 PolarHBondContact O-N 3.26Å; K274-T278 PolarHBondContact O-N 2.63Å
275S69.1Low78.6Confident67 Ų6767.4 Ų67.447%0.46934%0.34SS..Hα-helixtrans-63.6-43.4-179.649.40000113.4N273 M277 T278 D279N273-S275 PolarHBondContact O-N 3.13Å; S275-M277 VanDerWaalsContact C-N 3.26Å; S275-M277 PolarHBondContact O-N 2.95Å; S275-T278 WeakPolarHBondContact CA-OG1 3.39Å; S275-T278 PolarHBondContact O-N 3.43Å; S275-T278 VanDerWaalsContact O-N 3.15Å; S275-T278 PolarHBondContact O-OG1 2.87Å; S275-D279 PolarHBondContact O-N 2.88Å
276Y76.3Confident78.2Confident42 Ų4268.4 Ų68.417%0.16535%0.347CS..Hα-helixtrans-66.4-31.8179.1-175.7-115.5000112.2L223 K224 D279 I280L223-Y276 HydrophobicContact CD2-CD1 4.4Å; L223-Y276 HydrophobicContact CD2-CE1 3.89Å; L223-Y276 HydrophobicContact CG-CE1 4.2Å; K224-Y276 WeakPolarHBondContact CA-OH 3.12Å; K224-Y276 HydrophobicContact CB-CE1 4.37Å; K224-Y276 HydrophobicContact CG-CE2 4.45Å; Y276-D279 PolarHBondContact O-N 3.09Å; Y276-I280 HydrophobicContact CD1-CD1 3.89Å; Y276-I280 HydrophobicContact CE1-CD1 3.42Å; Y276-I280 VanDerWaalsContact CE1-CD1 3.42Å; Y276-I280 HydrophobicContact CE1-CG1 4.37Å; Y276-I280 HydrophobicContact CE2-CD1 4.42Å; Y276-I280 WeakPolarHBondContact O-CG1 3.13Å; Y276-I280 PolarHBondContact O-N 3.18Å; Y276-I280 VanDerWaalsContact O-N 3.14Å
277M77.3Confident78Confident11 Ų1169.3 Ų69.35%0.05435%0.354CS..Hα-helixtrans-65.7-41.2174-62.1-165.178.300111.4F240 V268 W271 K274 S275 D279 I280 G281 I282 M285F240-M277 HydrophobicContact CD1-CE 4Å; V268-M277 HydrophobicContact CB-CE 4.46Å; V268-M277 HydrophobicContact CG1-CE 3.74Å; V268-M277 HydrophobicContact CG1-SD 3.42Å; V268-M277 WeakPolarHBondContact CG1-SD 3.35Å; V268-M277 HydrophobicContact CG2-CE 3.86Å; V268-M277 HydrophobicContact CG2-SD 4.48Å; W271-M277 HydrophobicContact CE3-CG 4.08Å; W271-M277 HydrophobicContact CE3-SD 3.97Å; W271-M277 HydrophobicContact CZ3-CG 4.23Å; W271-M277 HydrophobicContact CZ3-SD 4.44Å; K274-M277 WeakPolarHBondContact O-CB 3.33Å; K274-M277 PolarHBondContact O-N 3.26Å; S275-M277 VanDerWaalsContact C-N 3.26Å; S275-M277 PolarHBondContact O-N 2.95Å; M277-D279 VanDerWaalsContact C-N 3.29Å; M277-D279 PolarHBondContact O-N 3.46Å; M277-I280 PolarHBondContact O-N 3.31Å; M277-G281 PolarHBondContact O-N 2.78Å; M277-I282 HydrophobicContact CB-CB 4.28Å; M277-I282 HydrophobicContact CE-CB 4.23Å; M277-I282 HydrophobicContact CE-CD1 3.9Å; M277-I282 HydrophobicContact CE-CG2 3.8Å; M277-I282 PolarHBondContact O-N 2.96Å; M277-M285 HydrophobicContact CE-SD 4.32Å
278T76.9Confident78.1Confident67 Ų6769.1 Ų69.141%0.41135%0.352SS..Hα-helixtrans-67-28.917552.40000112.9K274 S275 G281 Y283K274-T278 PolarHBondContact O-N 2.63Å; S275-T278 WeakPolarHBondContact CA-OG1 3.39Å; S275-T278 PolarHBondContact O-N 3.43Å; S275-T278 VanDerWaalsContact O-N 3.15Å; S275-T278 PolarHBondContact O-OG1 2.87Å; T278-G281 WeakPolarHBondContact O-CA 3.43Å; T278-G281 PolarHBondContact O-N 3.47Å; T278-Y283 HydrophobicContact CG2-CD1 4.5Å
279D78.4Confident78.4Confident129 Ų12968.7 Ų68.769%0.6935%0.349SS*.Hα-helixtrans-69.9-36.7174.7-63.9-22.1000112.2S275 Y276 M277 G281S275-D279 PolarHBondContact O-N 2.88Å; Y276-D279 PolarHBondContact O-N 3.09Å; M277-D279 VanDerWaalsContact C-N 3.29Å; M277-D279 PolarHBondContact O-N 3.46Å; D279-G281 PolarHBondContact O-N 2.86Å
280I78.9Confident78.9Confident16 Ų1664 Ų648%0.08233%0.327CS..Hα-helixtrans-72.3-14168.8-61.4168.3000110.7L223 W227 Y276 M277 I282 I289L223-I280 HydrophobicContact CD2-CD1 3.97Å; W227-I280 HydrophobicContact CH2-CG2 3.75Å; W227-I280 HydrophobicContact CZ2-CG2 3.88Å; W227-I280 HydrophobicContact CZ3-CG2 4.31Å; Y276-I280 HydrophobicContact CD1-CD1 3.89Å; Y276-I280 HydrophobicContact CE1-CD1 3.42Å; Y276-I280 VanDerWaalsContact CE1-CD1 3.42Å; Y276-I280 HydrophobicContact CE1-CG1 4.37Å; Y276-I280 HydrophobicContact CE2-CD1 4.42Å; Y276-I280 WeakPolarHBondContact O-CG1 3.13Å; Y276-I280 PolarHBondContact O-N 3.18Å; Y276-I280 VanDerWaalsContact O-N 3.14Å; M277-I280 PolarHBondContact O-N 3.31Å; I280-I282 HydrophobicContact CB-CD1 4.26Å; I280-I282 HydrophobicContact CG2-CD1 3.95Å; I280-I282 HydrophobicContact CG2-CG1 4.18Å; I280-I289 HydrophobicContact CG2-CD1 3.99Å
281G75.9Confident79.5Confident4 Ų460.3 Ų60.34%0.04130%0.303CS..THydrogen-bonded Turntrans8029.3179.400000114M277 T278 D279 Y283 R298M277-G281 PolarHBondContact O-N 2.78Å; T278-G281 WeakPolarHBondContact O-CA 3.43Å; T278-G281 PolarHBondContact O-N 3.47Å; D279-G281 PolarHBondContact O-N 2.86Å; G281-Y283 WeakPolarHBondContact O-CD2 3.28Å; G281-Y283 WeakPolarHBondContact O-CE2 3.3Å; G281-Y283 PolarHBondContact O-N 3.25Å; G281-R298 VanDerWaalsContact C-NH2 3.33Å; G281-R298 PolarHBondContact O-NE 3.49Å; G281-R298 PolarHBondContact O-NH1 3.06Å; G281-R298 PolarHBondContact O-NH2 3.37Å
282I82.6Confident79.8Confident9 Ų959.8 Ų59.85%0.04630%0.303CS..  trans-84.5111.8170.9-59.1157.9000108.1F240 M277 I280 M285 S287 I289F240-I282 HydrophobicContact CD1-CD1 3.57Å; F240-I282 HydrophobicContact CD2-CD1 3.72Å; F240-I282 HydrophobicContact CD2-CG1 4.47Å; F240-I282 HydrophobicContact CE1-CD1 3.49Å; F240-I282 VanDerWaalsContact CE1-CD1 3.49Å; F240-I282 HydrophobicContact CE2-CD1 3.68Å; F240-I282 HydrophobicContact CG-CD1 3.67Å; F240-I282 HydrophobicContact CZ-CD1 3.57Å; M277-I282 HydrophobicContact CB-CB 4.28Å; M277-I282 HydrophobicContact CE-CB 4.23Å; M277-I282 HydrophobicContact CE-CD1 3.9Å; M277-I282 HydrophobicContact CE-CG2 3.8Å; M277-I282 PolarHBondContact O-N 2.96Å; I280-I282 HydrophobicContact CB-CD1 4.26Å; I280-I282 HydrophobicContact CG2-CD1 3.95Å; I280-I282 HydrophobicContact CG2-CG1 4.18Å; I282-M285 HydrophobicContact CG2-CG 4.39Å; I282-S287 WeakPolarHBondContact CG2-OG 3.45Å; I282-I289 HydrophobicContact CD1-CD1 3.75Å; I282-I289 HydrophobicContact CG1-CD1 3.35Å
283Y76.3Confident80.4Confident163 Ų16355.1 Ų55.164%0.63928%0.281SS*.  trans-105-35.7177.9-54.8-67.3000112.4T278 G281T278-Y283 HydrophobicContact CG2-CD1 4.5Å; G281-Y283 WeakPolarHBondContact O-CD2 3.28Å; G281-Y283 WeakPolarHBondContact O-CE2 3.3Å; G281-Y283 PolarHBondContact O-N 3.25Å
284N78.3Confident81.1Confident117 Ų11753.6 Ų53.663%0.62627%0.271SS*.SBendtrans-120.5151.4-178.5-62.9-5.4000109.9
285M80.1Confident81.8Confident70 Ų7047.3 Ų47.335%0.34525%0.253SS..SBendtrans-128.6142.1179.7-63.916967.100109.7N242 V268 M277 I282N242-M285 WeakPolarHBondContact OD1-CE 3.49Å; V268-M285 HydrophobicContact CB-CE 3.33Å; V268-M285 HydrophobicContact CG1-CE 3.31Å; V268-M285 HydrophobicContact CG1-SD 4.03Å; V268-M285 HydrophobicContact CG2-CE 3.92Å; M277-M285 HydrophobicContact CE-SD 4.32Å; I282-M285 HydrophobicContact CG2-CG 4.39Å
286P86.4Confident82.7Confident21 Ų2148.7 Ų48.714%0.13625%0.254CS..SBendcis-73.6153.6-3.928.7-33.4000113.6K74 S75 G76 L239 F240 A241K74-P286 WeakPolarHBondContact O-CD 3.46Å; S75-P286 VanDerWaalsContact O-CG 3.28Å; S75-P286 WeakPolarHBondContact O-CG 3.38Å; G76-P286 VanDerWaalsContact CA-CG 3.46Å; G76-P286 VanDerWaalsContact N-CG 3.34Å; L239-P286 HydrophobicContact CD1-CB 4.22Å; F240-P286 CarbonylContact O-C 3.42Å; F240-P286 WeakPolarHBondContact O-CA 3.36Å; F240-P286 WeakPolarHBondContact O-CB 3.47Å; A241-P286 HydrophobicContact CB-CB 3.76Å
287S87.3Confident83.3Confident20 Ų2047.7 Ų47.714%0.1425%0.25CS..EExtended strand (participates in β ladder)trans-130.6135.7175.959.80000112F240 I282F240-S287 PolarHBondContact N-O 3.01Å; F240-S287 PolarHBondContact O-N 2.94Å; I282-S287 WeakPolarHBondContact CG2-OG 3.45Å
288Y90.9Very high83.8Confident9 Ų952 Ų524%0.03527%0.266CS..EExtended strand (participates in β ladder)trans-100.2109.6175.6-65.1-92.9000108.4Y238 L239 F249 F250 Y299 I307 M312Y238-Y288 WeakPolarHBondContact O-CA 3.33Å; L239-Y288 HydrophobicContact CB-CD1 4.42Å; L239-Y288 HydrophobicContact CB-CE1 4.33Å; L239-Y288 HydrophobicContact CD1-CD1 3.91Å; L239-Y288 HydrophobicContact CD1-CD2 4.4Å; L239-Y288 HydrophobicContact CD1-CE1 3.49Å; L239-Y288 VanDerWaalsContact CD1-CE1 3.49Å; L239-Y288 HydrophobicContact CD1-CE2 4.01Å; L239-Y288 HydrophobicContact CD1-CG 4.34Å; L239-Y288 HydrophobicContact CD2-CE1 3.99Å; L239-Y288 HydrophobicContact CG-CE1 4.13Å; F249-Y288 HydrophobicContact CE2-CE1 4.48Å; F249-Y288 HydrophobicContact CZ-CE1 4.17Å; F249-Y288 AromaticContact CZ-CZ 4Å; F249-Y288 WeakPolarHBondContact CZ-OH 3.18Å; F250-Y288 HydrophobicContact CD2-CE1 4.2Å; F250-Y288 HydrophobicContact CE2-CD1 4.47Å; F250-Y288 HydrophobicContact CE2-CE1 4.48Å; Y288-Y299 PolarHBondContact O-N 3Å; Y288-I307 HydrophobicContact CE2-CD1 4.18Å; Y288-I307 HydrophobicContact CE2-CG1 4.3Å; Y288-I307 HydrophobicContact CE2-CG2 4.13Å; Y288-M312 HydrophobicContact CD1-CE 3.87Å; Y288-M312 HydrophobicContact CE1-CE 4.35Å; Y288-M312 HydrophobicContact CG-CE 4.15Å
289I91Very high84.4Confident1 Ų149.4 Ų49.41%0.00525%0.249CC..EExtended strand (participates in β ladder)trans-109.2121.1179.1-67.9171.9000109.2W227 Y238 F240 I280 I282 I296 R298W227-I289 HydrophobicContact CH2-CG2 4.1Å; W227-I289 HydrophobicContact CZ3-CG2 4.49Å; Y238-I289 PolarHBondContact N-O 3.01Å; Y238-I289 PolarHBondContact O-N 2.78Å; F240-I289 HydrophobicContact CD2-CD1 3.97Å; F240-I289 HydrophobicContact CD2-CG1 4.39Å; F240-I289 HydrophobicContact CE2-CB 4.13Å; F240-I289 HydrophobicContact CE2-CD1 3.62Å; F240-I289 HydrophobicContact CE2-CG1 4.2Å; F240-I289 HydrophobicContact CZ-CD1 4.47Å; I280-I289 HydrophobicContact CG2-CD1 3.99Å; I282-I289 HydrophobicContact CD1-CD1 3.75Å; I282-I289 HydrophobicContact CG1-CD1 3.35Å; I289-I296 HydrophobicContact CG2-CG2 3.49Å; I289-I296 VanDerWaalsContact CG2-CG2 3.49Å; I289-R298 HydrophobicContact CG1-CG 4.33Å
290L91.2Very high84.5Confident2 Ų244.9 Ų44.91%0.0123%0.232CC..EExtended strand (participates in β ladder)trans-94124.2171.2-17173.9000109.3L235 I237 T292 I296 Y297 F315 L316 L319L235-L290 HydrophobicContact CD1-CD1 4.23Å; L235-L290 HydrophobicContact CD1-CD2 4.46Å; L235-L290 HydrophobicContact CD2-CD1 3.34Å; L235-L290 HydrophobicContact CD2-CG 4.39Å; L235-L290 HydrophobicContact CG-CD1 3.86Å; L235-L290 HydrophobicContact CG-CG 4.43Å; I237-L290 HydrophobicContact CB-CD1 4.2Å; I237-L290 HydrophobicContact CG1-CD1 4.5Å; L290-T292 HydrophobicContact CD2-CG2 3.87Å; L290-T292 HydrophobicContact CG-CG2 4.06Å; L290-I296 WeakPolarHBondContact O-CA 3.33Å; L290-Y297 HydrophobicContact CB-CD1 4.4Å; L290-Y297 PolarHBondContact N-O 3.43Å; L290-Y297 PolarHBondContact O-N 2.92Å; L290-F315 HydrophobicContact CD2-CE1 4.11Å; L290-F315 HydrophobicContact CD2-CZ 4.07Å; L290-L316 HydrophobicContact CD1-CD2 4.42Å; L290-L319 HydrophobicContact CD2-CD1 3.34Å; L290-L319 HydrophobicContact CD2-CD2 4.47Å
291R89.3Confident84.7Confident58 Ų5850.1 Ų50.122%0.21926%0.261CS..EExtended strand (participates in β ladder)trans-108.8116.7171-177.2173.3176.7167.5-8109.6W227 K236 Y238W227-R291 VanDerWaalsContact CG-NH1 3.29Å; W227-R291 PolarHBondContact O-NH1 2.82Å; W227-R291 PolarHBondContact O-NH2 3.31Å; K236-R291 HydrophobicContact CB-CB 4.43Å; K236-R291 PolarHBondContact N-O 3Å; K236-R291 PolarHBondContact O-N 3.35Å; Y238-R291 HydrophobicContact CE2-CB 4.13Å
292T87.6Confident84.9Confident17 Ų1752.2 Ų52.210%0.10427%0.269CS..  trans-109159.3172.863.40000108.4L235 L290 E294 G295L235-T292 HydrophobicContact CD1-CG2 3.94Å; L235-T292 HydrophobicContact CG-CG2 4.18Å; L290-T292 HydrophobicContact CD2-CG2 3.87Å; L290-T292 HydrophobicContact CG-CG2 4.06Å; T292-E294 WeakPolarHBondContact CB-OE2 3.34Å; T292-E294 PolarHBondContact O-N 2.94Å; T292-E294 VanDerWaalsContact O-N 3.15Å; T292-E294 PolarHBondContact OG1-OE2 3.34Å; T292-G295 PolarHBondContact N-O 3.38Å; T292-G295 PolarHBondContact O-N 3.18Å; T292-G295 VanDerWaalsContact O-O 3.11Å; T292-G295 PolarHBondContact OG1-N 2.91Å; T292-G295 PolarHBondContact OG1-O 3.1Å
293P81.4Confident84.5Confident62 Ų6254.9 Ų54.940%0.40329%0.286SS..SBendtrans-61.2-20.1176.122.1-30.7000113Q232Q232-P293 WeakPolarHBondContact O-CB 3.01Å
294E80.2Confident84.2Confident76 Ų7647.8 Ų47.836%0.35526%0.262SS..SBendtrans-90.1-25.6-179.5-52.487.6170.200113.8T292 K392 R395T292-E294 WeakPolarHBondContact CB-OE2 3.34Å; T292-E294 PolarHBondContact O-N 2.94Å; T292-E294 VanDerWaalsContact O-N 3.15Å; T292-E294 PolarHBondContact OG1-OE2 3.34Å; E294-K392 HydrophobicContact CG-CD 4.07Å; E294-K392 HydrophobicContact CG-CG 3.95Å; E294-R395 WeakPolarHBondContact OE1-CD 3.44Å; E294-R395 IonicContact OE1-CZ 3.11Å; E294-R395 IonicContact OE1-NH1 2.76Å; E294-R395 PolarHBondContact OE1-NH1 3.05Å; E294-R395 IonicContact OE2-NH1 2.71Å
295G83.3Confident84.4Confident33 Ų3342.2 Ų42.234%0.3423%0.233SC..  trans175.4179-17700000115.1T292T292-G295 PolarHBondContact N-O 3.38Å; T292-G295 PolarHBondContact O-N 3.18Å; T292-G295 VanDerWaalsContact O-O 3.11Å; T292-G295 PolarHBondContact OG1-N 2.91Å; T292-G295 PolarHBondContact OG1-O 3.1Å
296I87.6Confident84.4Confident96 Ų9640.3 Ų40.349%0.49222%0.222SC..EExtended strand (participates in β ladder)trans-107.9129.7179.4-58.5157.7000108.2W227 I289 L290W227-I296 HydrophobicContact CH2-CD1 4.27Å; W227-I296 HydrophobicContact CH2-CG1 4.46Å; W227-I296 HydrophobicContact CH2-CG2 4.45Å; W227-I296 HydrophobicContact CZ2-CD1 3.63Å; W227-I296 HydrophobicContact CZ2-CG1 4.23Å; I289-I296 HydrophobicContact CG2-CG2 3.49Å; I289-I296 VanDerWaalsContact CG2-CG2 3.49Å; L290-I296 WeakPolarHBondContact O-CA 3.33Å
297Y88.9Confident84.2Confident21 Ų2140.2 Ų40.28%0.08222%0.221CC..EExtended strand (participates in β ladder)trans-124.7143.6179.9179.2-97.8000110.7L290 H302 E305 F315 T399L290-Y297 HydrophobicContact CB-CD1 4.4Å; L290-Y297 PolarHBondContact N-O 3.43Å; L290-Y297 PolarHBondContact O-N 2.92Å; Y297-H302 AromaticContact CE2-CD2 3.81Å; Y297-H302 AromaticContact CE2-NE2 3.8Å; Y297-H302 AromaticContact CZ-CD2 3.76Å; Y297-H302 PolarHBondContact OH-CD2 3Å; Y297-E305 PolarHBondContact OH-OE1 2.98Å; Y297-E305 PolarHBondContact OH-OE2 2.75Å; Y297-F315 HydrophobicContact CD1-CE1 4.45Å; Y297-F315 AromaticContact CD1-CZ 3.68Å; Y297-F315 HydrophobicContact CD1-CZ 3.68Å; Y297-F315 HydrophobicContact CE1-CE1 4.3Å; Y297-F315 AromaticContact CE1-CE2 3.92Å; Y297-F315 HydrophobicContact CE1-CE2 3.92Å; Y297-F315 AromaticContact CE1-CZ 3.4Å; Y297-F315 HydrophobicContact CE1-CZ 3.4Å; Y297-T399 HydrophobicContact CD2-CG2 3.74Å; Y297-T399 HydrophobicContact CE2-CG2 4.16Å; Y297-T399 WeakPolarHBondContact CE2-O 3.49Å; Y297-T399 HydrophobicContact CG-CG2 3.94Å
298R88.4Confident84Confident101 Ų10140.1 Ų40.138%0.38122%0.22SC..EExtended strand (participates in β ladder)trans-109.7114.1178.4-62-173.3-170.5145.812.4109.4G281 I289G281-R298 VanDerWaalsContact C-NH2 3.33Å; G281-R298 PolarHBondContact O-NE 3.49Å; G281-R298 PolarHBondContact O-NH1 3.06Å; G281-R298 PolarHBondContact O-NH2 3.37Å; I289-R298 HydrophobicContact CG1-CG 4.33Å
299Y88.7Confident83.7Confident12 Ų1241.5 Ų41.55%0.04723%0.228CC..EExtended strand (participates in β ladder)trans-78.8136.7178.6180-90.4000110.6Y288 E305 F306 M312 F315Y288-Y299 PolarHBondContact O-N 3Å; Y299-E305 HydrophobicContact CD2-CB 4.4Å; Y299-E305 HydrophobicContact CE1-CB 4.41Å; Y299-E305 HydrophobicContact CE2-CB 3.97Å; Y299-E305 HydrophobicContact CE2-CG 4.23Å; Y299-F306 PolarHBondContact OH-O 3.03Å; Y299-M312 HydrophobicContact CD1-CE 3.26Å; Y299-M312 HydrophobicContact CD1-SD 4.11Å; Y299-M312 HydrophobicContact CD2-CE 4.35Å; Y299-M312 HydrophobicContact CD2-SD 4.13Å; Y299-M312 HydrophobicContact CE1-CE 3.35Å; Y299-M312 HydrophobicContact CE1-SD 4.08Å; Y299-M312 HydrophobicContact CE2-CE 4.4Å; Y299-M312 HydrophobicContact CE2-SD 4.08Å; Y299-M312 HydrophobicContact CG-CE 3.79Å; Y299-M312 HydrophobicContact CG-SD 4.12Å; Y299-F315 AromaticContact CD2-CD1 3.52Å; Y299-F315 HydrophobicContact CD2-CD1 3.52Å; Y299-F315 HydrophobicContact CD2-CD2 4.47Å; Y299-F315 AromaticContact CD2-CE1 3.63Å; Y299-F315 HydrophobicContact CD2-CE1 3.63Å; Y299-F315 AromaticContact CD2-CG 3.96Å; Y299-F315 HydrophobicContact CD2-CG 3.96Å; Y299-F315 HydrophobicContact CD2-CZ 4.13Å; Y299-F315 HydrophobicContact CE2-CB 3.96Å; Y299-F315 AromaticContact CE2-CD1 3.74Å; Y299-F315 HydrophobicContact CE2-CD1 3.74Å; Y299-F315 HydrophobicContact CE2-CD2 4.46Å; Y299-F315 HydrophobicContact CE2-CE1 4.31Å; Y299-F315 AromaticContact CE2-CG 3.8Å; Y299-F315 HydrophobicContact CE2-CG 3.8Å; Y299-F315 HydrophobicContact CG-CE1 4.47Å
300G81.3Confident83.4Confident34 Ų3445.7 Ų45.735%0.35125%0.247SC..THydrogen-bonded Turntrans96.5-1.4-179.300000114.4E305G300-E305 PolarHBondContact N-OE2 2.77Å
301N81.8Confident83.2Confident126 Ų12646.1 Ų46.167%0.67425%0.251SS*.SBendtrans-83.8-23.5176.2-167.946.2000112.5
302H81.1Confident83.2Confident48 Ų4843.4 Ų43.422%0.22224%0.241CC..SBendtrans-96.5151.1179.9-65.8-74000111.6Y297 G304 E305 T401Y297-H302 AromaticContact CE2-CD2 3.81Å; Y297-H302 AromaticContact CE2-NE2 3.8Å; Y297-H302 AromaticContact CZ-CD2 3.76Å; Y297-H302 PolarHBondContact OH-CD2 3Å; H302-G304 PolarHBondContact O-N 2.99Å; H302-E305 HydrophobicContact CB-CG 4.24Å; H302-E305 PolarHBondContact O-N 2.84Å; H302-T401 WeakPolarHBondContact ND1-CG2 3.39Å
303T72.8Confident83.3Confident65 Ų6543.5 Ų43.540%0.39924%0.241SC..THydrogen-bonded Turntrans-66.4135.7177.7510000110.7S404 W405T303-S404 PolarHBondContact O-OG 2.92Å; T303-W405 PolarHBondContact OG1-NE1 3.23Å
304G71.2Confident83.7Confident14 Ų1441.8 Ų41.814%0.14423%0.23CC..THydrogen-bonded Turntrans94.6-5.7-175.600000115.1H302 F306H302-G304 PolarHBondContact O-N 2.99Å; G304-F306 WeakPolarHBondContact O-CD2 3.22Å; G304-F306 WeakPolarHBondContact O-CE2 3.19Å; G304-F306 PolarHBondContact O-N 3.36Å
305E81.8Confident84.2Confident0 Ų038.2 Ų38.20%021%0.213CC..  trans-9786.8179.3-57.5-160.7140.500112.1M79 Y297 Y299 G300 H302 S404 R407M79-E305 WeakPolarHBondContact CE-O 3.47Å; Y297-E305 PolarHBondContact OH-OE1 2.98Å; Y297-E305 PolarHBondContact OH-OE2 2.75Å; Y299-E305 HydrophobicContact CD2-CB 4.4Å; Y299-E305 HydrophobicContact CE1-CB 4.41Å; Y299-E305 HydrophobicContact CE2-CB 3.97Å; Y299-E305 HydrophobicContact CE2-CG 4.23Å; G300-E305 PolarHBondContact N-OE2 2.77Å; H302-E305 HydrophobicContact CB-CG 4.24Å; H302-E305 PolarHBondContact O-N 2.84Å; E305-S404 VanDerWaalsContact CG-OG 3.25Å; E305-S404 WeakPolarHBondContact CG-OG 3.35Å; E305-R407 IonicContact OE1-CZ 2.77Å; E305-R407 IonicContact OE1-NH1 3.7Å; E305-R407 PolarHBondContact OE1-NH1 2.9Å; E305-R407 IonicContact OE1-NH2 3.5Å; E305-R407 PolarHBondContact OE1-NH2 2.86Å
306F80.6Confident84.5Confident30 Ų3036.7 Ų36.713%0.13220%0.197CC..  trans-90.4154-179.1-46.4-75000112.6M79 E82 Y299 G304 S308M79-F306 HydrophobicContact CB-CD1 3.69Å; M79-F306 HydrophobicContact CB-CE1 3.94Å; M79-F306 HydrophobicContact CE-CB 4.23Å; M79-F306 HydrophobicContact CE-CD1 3.4Å; M79-F306 VanDerWaalsContact CE-CD1 3.4Å; M79-F306 HydrophobicContact CE-CE1 4.13Å; M79-F306 HydrophobicContact CE-CG 4.17Å; M79-F306 HydrophobicContact CG-CD1 4.3Å; M79-F306 HydrophobicContact SD-CD1 3.68Å; M79-F306 HydrophobicContact SD-CE1 3.8Å; E82-F306 HydrophobicContact CB-CB 4.46Å; Y299-F306 PolarHBondContact OH-O 3.03Å; G304-F306 WeakPolarHBondContact O-CD2 3.22Å; G304-F306 WeakPolarHBondContact O-CE2 3.19Å; G304-F306 PolarHBondContact O-N 3.36Å; F306-S308 PolarHBondContact O-N 3.39Å
307I82.3Confident84.6Confident20 Ų2035.8 Ų35.810%0.10319%0.188CC..SBendtrans-79.569.3174.9-51.4174.1000108.5F249 Y288F249-I307 HydrophobicContact CE1-CG2 4.16Å; F249-I307 HydrophobicContact CZ-CG2 3.73Å; Y288-I307 HydrophobicContact CE2-CD1 4.18Å; Y288-I307 HydrophobicContact CE2-CG1 4.3Å; Y288-I307 HydrophobicContact CE2-CG2 4.13Å
308S82.5Confident84.6Confident17 Ų1736.1 Ų36.112%0.11919%0.193CC..SBendtrans-129.8154174.877.50000111.1F306 Q310 A311 M312F306-S308 PolarHBondContact O-N 3.39Å; S308-Q310 VanDerWaalsContact C-N 3.3Å; S308-Q310 PolarHBondContact O-N 3.29Å; S308-A311 PolarHBondContact O-N 2.9Å; S308-A311 WeakPolarHBondContact OG-CB 3.35Å; S308-A311 PolarHBondContact OG-N 3.14Å; S308-A311 VanDerWaalsContact OG-N 3.17Å; S308-M312 WeakPolarHBondContact O-CB 3.48Å; S308-M312 PolarHBondContact O-N 3.41Å; S308-M312 VanDerWaalsContact O-N 3.07Å
309L85.4Confident84.6Confident38 Ų3831.3 Ų31.320%0.19918%0.175CC..Hα-helixtrans-58.4-45.3178.5-177.3145.2000111.2F147 F249 A252 D313F147-L309 HydrophobicContact CB-CD1 4.42Å; F147-L309 HydrophobicContact CD1-CD1 3.97Å; F249-L309 HydrophobicContact CB-CB 3.95Å; F249-L309 HydrophobicContact CB-CD1 3.9Å; F249-L309 HydrophobicContact CB-CG 4.31Å; A252-L309 HydrophobicContact CB-CD1 4.37Å; L309-D313 WeakPolarHBondContact O-CB 3.38Å; L309-D313 PolarHBondContact O-N 2.92Å
310Q84.8Confident84.6Confident90 Ų9032 Ų3242%0.42118%0.179SC..Hα-helixtrans-70.5-39.7-175.8-159.7-169.8-4.200112.1S308 S314 M411S308-Q310 VanDerWaalsContact C-N 3.3Å; S308-Q310 PolarHBondContact O-N 3.29Å; Q310-S314 WeakPolarHBondContact O-CB 3.36Å; Q310-S314 PolarHBondContact O-N 3.33Å; Q310-M411 HydrophobicContact CB-CE 3.79Å; Q310-M411 HydrophobicContact CG-CE 3.39Å; Q310-M411 HydrophobicContact CG-SD 4.05Å
311A86.3Confident84.9Confident10 Ų1031.3 Ų31.38%0.08317%0.168CC..Hα-helixtrans-67.1-46178.300000111.6S308 S314 F315S308-A311 PolarHBondContact O-N 2.9Å; S308-A311 WeakPolarHBondContact OG-CB 3.35Å; S308-A311 PolarHBondContact OG-N 3.14Å; S308-A311 VanDerWaalsContact OG-N 3.17Å; A311-S314 PolarHBondContact O-N 3.35Å; A311-F315 PolarHBondContact O-N 2.71Å
312M89.1Confident85.1Confident1 Ų128.8 Ų28.81%0.00515%0.152CC..Hα-helixtrans-66.6-39.5177.5-174.570.577.900111.8I237 L253 Y288 Y299 S308 F315 L316I237-M312 HydrophobicContact CD1-CE 4.38Å; I237-M312 HydrophobicContact CD1-SD 4.08Å; L253-M312 HydrophobicContact CD1-CB 3.87Å; L253-M312 HydrophobicContact CD1-CG 3.53Å; Y288-M312 HydrophobicContact CD1-CE 3.87Å; Y288-M312 HydrophobicContact CE1-CE 4.35Å; Y288-M312 HydrophobicContact CG-CE 4.15Å; Y299-M312 HydrophobicContact CD1-CE 3.26Å; Y299-M312 HydrophobicContact CD1-SD 4.11Å; Y299-M312 HydrophobicContact CD2-CE 4.35Å; Y299-M312 HydrophobicContact CD2-SD 4.13Å; Y299-M312 HydrophobicContact CE1-CE 3.35Å; Y299-M312 HydrophobicContact CE1-SD 4.08Å; Y299-M312 HydrophobicContact CE2-CE 4.4Å; Y299-M312 HydrophobicContact CE2-SD 4.08Å; Y299-M312 HydrophobicContact CG-CE 3.79Å; Y299-M312 HydrophobicContact CG-SD 4.12Å; S308-M312 WeakPolarHBondContact O-CB 3.48Å; S308-M312 PolarHBondContact O-N 3.41Å; S308-M312 VanDerWaalsContact O-N 3.07Å; M312-F315 PolarHBondContact O-N 3.49Å; M312-F315 HydrophobicContact SD-CD1 4.14Å; M312-L316 HydrophobicContact CG-CD1 4.14Å; M312-L316 HydrophobicContact CG-CG 4.42Å; M312-L316 WeakPolarHBondContact O-CG 3.3Å; M312-L316 PolarHBondContact O-N 3.37Å; M312-L316 HydrophobicContact SD-CG 4.48Å
313D89.6Confident85.3Confident20 Ų2029.5 Ų29.511%0.10716%0.16CC..Hα-helixtrans-60.1-46174.3-177.557000111.9L253 K256 F257 L309 F315 L316 R317L253-D313 HydrophobicContact CD2-CB 3.86Å; K256-D313 VanDerWaalsContact CD-OD1 3.31Å; K256-D313 WeakPolarHBondContact CD-OD1 3.37Å; K256-D313 WeakPolarHBondContact CE-OD1 3.21Å; K256-D313 IonicContact NZ-OD1 3.29Å; K256-D313 PolarHBondContact NZ-OD1 2.98Å; K256-D313 IonicContact NZ-OD2 3.58Å; K256-D313 PolarHBondContact NZ-OD2 3.11Å; F257-D313 WeakPolarHBondContact CE2-OD1 3.32Å; L309-D313 WeakPolarHBondContact O-CB 3.38Å; L309-D313 PolarHBondContact O-N 2.92Å; D313-F315 VanDerWaalsContact C-N 3.34Å; D313-F315 PolarHBondContact O-N 2.92Å; D313-L316 PolarHBondContact O-N 3.02Å; D313-R317 WeakPolarHBondContact O-CB 3.49Å; D313-R317 VanDerWaalsContact O-CG 3.32Å; D313-R317 WeakPolarHBondContact O-CG 3.25Å; D313-R317 PolarHBondContact O-N 2.91Å; D313-R317 IonicContact OD1-NE 3.51Å; D313-R317 PolarHBondContact OD1-NE 2.84Å; D313-R317 IonicContact OD2-NE 3.86Å; D313-R317 PolarHBondContact OD2-NE 2.96Å; D313-R317 VanDerWaalsContact OD2-NE 3.15Å
314S89.3Confident86.1Confident26 Ų2630.9 Ų30.918%0.18217%0.165CC..Hα-helixtrans-60.5-43.1177-174.70000111.7Q310 A311 S318Q310-S314 WeakPolarHBondContact O-CB 3.36Å; Q310-S314 PolarHBondContact O-N 3.33Å; A311-S314 PolarHBondContact O-N 3.35Å; S314-S318 WeakPolarHBondContact O-CB 3.3Å; S314-S318 PolarHBondContact O-N 2.68Å
315F90.8Very high86.9Confident0 Ų031.6 Ų31.60%017%0.166CC..Hα-helixtrans-63-47.2175.5174.6-115.6000113.1L290 Y297 Y299 A311 M312 D313 R317 S318 L319 R407L290-F315 HydrophobicContact CD2-CE1 4.11Å; L290-F315 HydrophobicContact CD2-CZ 4.07Å; Y297-F315 HydrophobicContact CD1-CE1 4.45Å; Y297-F315 AromaticContact CD1-CZ 3.68Å; Y297-F315 HydrophobicContact CD1-CZ 3.68Å; Y297-F315 HydrophobicContact CE1-CE1 4.3Å; Y297-F315 AromaticContact CE1-CE2 3.92Å; Y297-F315 HydrophobicContact CE1-CE2 3.92Å; Y297-F315 AromaticContact CE1-CZ 3.4Å; Y297-F315 HydrophobicContact CE1-CZ 3.4Å; Y299-F315 AromaticContact CD2-CD1 3.52Å; Y299-F315 HydrophobicContact CD2-CD1 3.52Å; Y299-F315 HydrophobicContact CD2-CD2 4.47Å; Y299-F315 AromaticContact CD2-CE1 3.63Å; Y299-F315 HydrophobicContact CD2-CE1 3.63Å; Y299-F315 AromaticContact CD2-CG 3.96Å; Y299-F315 HydrophobicContact CD2-CG 3.96Å; Y299-F315 HydrophobicContact CD2-CZ 4.13Å; Y299-F315 HydrophobicContact CE2-CB 3.96Å; Y299-F315 AromaticContact CE2-CD1 3.74Å; Y299-F315 HydrophobicContact CE2-CD1 3.74Å; Y299-F315 HydrophobicContact CE2-CD2 4.46Å; Y299-F315 HydrophobicContact CE2-CE1 4.31Å; Y299-F315 AromaticContact CE2-CG 3.8Å; Y299-F315 HydrophobicContact CE2-CG 3.8Å; Y299-F315 HydrophobicContact CG-CE1 4.47Å; A311-F315 PolarHBondContact O-N 2.71Å; M312-F315 PolarHBondContact O-N 3.49Å; M312-F315 HydrophobicContact SD-CD1 4.14Å; D313-F315 VanDerWaalsContact C-N 3.34Å; D313-F315 PolarHBondContact O-N 2.92Å; F315-R317 PolarHBondContact O-N 3.5Å; F315-S318 PolarHBondContact O-N 2.77Å; F315-S318 PolarHBondContact O-OG 2.83Å; F315-L319 HydrophobicContact CD1-CD1 3.88Å; F315-L319 HydrophobicContact CD2-CD1 4.12Å; F315-L319 HydrophobicContact CD2-CG 4.41Å; F315-L319 HydrophobicContact CE1-CD1 3.38Å; F315-L319 HydrophobicContact CE2-CD1 3.68Å; F315-L319 HydrophobicContact CE2-CG 4.09Å; F315-L319 HydrophobicContact CG-CD1 4.24Å; F315-L319 HydrophobicContact CZ-CD1 3.29Å; F315-L319 HydrophobicContact CZ-CG 4.17Å; F315-L319 WeakPolarHBondContact O-CG 3.26Å; F315-L319 PolarHBondContact O-N 3.07Å; F315-R407 VanDerWaalsContact CD2-CZ 3.42Å
316L90.9Very high87.2Confident1 Ų135.3 Ų35.31%0.00519%0.185CC..Hα-helixtrans-68.3-36180-69.2176.6000112.1F257 F263 L290 M312 D313 S318 L319 Q320F257-L316 HydrophobicContact CD1-CB 4.32Å; F257-L316 HydrophobicContact CD2-CD1 4.14Å; F257-L316 HydrophobicContact CE1-CB 3.62Å; F257-L316 HydrophobicContact CE2-CB 3.89Å; F257-L316 HydrophobicContact CE2-CD1 3.98Å; F257-L316 HydrophobicContact CZ-CB 3.36Å; F257-L316 HydrophobicContact CZ-CD1 4.32Å; F257-L316 HydrophobicContact CZ-CG 4.5Å; F263-L316 HydrophobicContact CE1-CD1 4.44Å; F263-L316 HydrophobicContact CZ-CD1 3.76Å; L290-L316 HydrophobicContact CD1-CD2 4.42Å; M312-L316 HydrophobicContact CG-CD1 4.14Å; M312-L316 HydrophobicContact CG-CG 4.42Å; M312-L316 WeakPolarHBondContact O-CG 3.3Å; M312-L316 PolarHBondContact O-N 3.37Å; M312-L316 HydrophobicContact SD-CG 4.48Å; D313-L316 PolarHBondContact O-N 3.02Å; L316-S318 VanDerWaalsContact C-N 3.32Å; L316-L319 HydrophobicContact CD2-CD1 4.46Å; L316-L319 PolarHBondContact O-N 3.17Å; L316-Q320 PolarHBondContact O-N 3.48Å
317R90Very high87.7Confident78 Ų7836.2 Ų36.229%0.29419%0.189SC..Hα-helixtrans-63.3-37.2171.6-78.3168.5174.7-94.7-4.6112.1F257 D313 F315 Q320 P321 D325F257-R317 HydrophobicContact CE1-CG 4.3Å; F257-R317 HydrophobicContact CZ-CG 3.94Å; D313-R317 WeakPolarHBondContact O-CB 3.49Å; D313-R317 VanDerWaalsContact O-CG 3.32Å; D313-R317 WeakPolarHBondContact O-CG 3.25Å; D313-R317 PolarHBondContact O-N 2.91Å; D313-R317 IonicContact OD1-NE 3.51Å; D313-R317 PolarHBondContact OD1-NE 2.84Å; D313-R317 IonicContact OD2-NE 3.86Å; D313-R317 PolarHBondContact OD2-NE 2.96Å; D313-R317 VanDerWaalsContact OD2-NE 3.15Å; F315-R317 PolarHBondContact O-N 3.5Å; R317-Q320 CarbonylContact O-C 3.57Å; R317-P321 WeakPolarHBondContact O-CA 3.3Å; R317-P321 WeakPolarHBondContact O-CB 3.15Å; R317-P321 VanDerWaalsContact O-N 3.15Å; R317-D325 IonicContact CZ-OD1 3.62Å; R317-D325 IonicContact CZ-OD2 3.17Å; R317-D325 IonicContact NH1-OD1 2.69Å; R317-D325 PolarHBondContact NH1-OD1 2.93Å; R317-D325 IonicContact NH1-OD2 2.69Å; R317-D325 PolarHBondContact NH1-OD2 3.39Å
318S88.9Confident88.1Confident27 Ų2738.5 Ų38.519%0.18920%0.203CC..Hα-helixtrans-72.8-34.5178.883.30000112.2S314 F315 L316 N398S314-S318 WeakPolarHBondContact O-CB 3.3Å; S314-S318 PolarHBondContact O-N 2.68Å; F315-S318 PolarHBondContact O-N 2.77Å; F315-S318 PolarHBondContact O-OG 2.83Å; L316-S318 VanDerWaalsContact C-N 3.32Å; S318-N398 WeakPolarHBondContact CB-OD1 3.46Å; S318-N398 PolarHBondContact O-ND2 3.3Å; S318-N398 PolarHBondContact OG-OD1 3.05Å
319L88.2Confident88.5Confident1 Ų142 Ų421%0.00522%0.22CC..Hα-helixtrans-72-40.1176.2-78168.6000114.1L290 F315 L316 R395 N398 T399L290-L319 HydrophobicContact CD2-CD1 3.34Å; L290-L319 HydrophobicContact CD2-CD2 4.47Å; F315-L319 HydrophobicContact CD1-CD1 3.88Å; F315-L319 HydrophobicContact CD2-CD1 4.12Å; F315-L319 HydrophobicContact CD2-CG 4.41Å; F315-L319 HydrophobicContact CE1-CD1 3.38Å; F315-L319 HydrophobicContact CE2-CD1 3.68Å; F315-L319 HydrophobicContact CE2-CG 4.09Å; F315-L319 HydrophobicContact CG-CD1 4.24Å; F315-L319 HydrophobicContact CZ-CD1 3.29Å; F315-L319 HydrophobicContact CZ-CG 4.17Å; F315-L319 WeakPolarHBondContact O-CG 3.26Å; F315-L319 PolarHBondContact O-N 3.07Å; L316-L319 HydrophobicContact CD2-CD1 4.46Å; L316-L319 PolarHBondContact O-N 3.17Å; L319-R395 HydrophobicContact CD2-CB 4.45Å; L319-R395 HydrophobicContact CD2-CG 4.33Å; L319-N398 HydrophobicContact CD2-CB 3.83Å; L319-N398 HydrophobicContact CG-CB 4.37Å; L319-T399 HydrophobicContact CD2-CG2 4.42Å
320Q87.5Confident88.8Confident25 Ų2541.5 Ų41.512%0.11722%0.22CC..SBendtrans-136.975.8-178.8-168.3167.6-0.100110.3R260 L316 R317R260-Q320 PolarHBondContact NH1-O 3.42Å; R260-Q320 PolarHBondContact O-OE1 3Å; L316-Q320 PolarHBondContact O-N 3.48Å; R317-Q320 CarbonylContact O-C 3.57Å
321P88.6Confident89.2Confident21 Ų2139.5 Ų39.514%0.13621%0.212CC..  trans-69144.9-176.828.9-35.8000111.4R317 L326 L394R317-P321 WeakPolarHBondContact O-CA 3.3Å; R317-P321 WeakPolarHBondContact O-CB 3.15Å; R317-P321 VanDerWaalsContact O-N 3.15Å; P321-L326 HydrophobicContact CB-CD2 4.01Å; P321-L326 HydrophobicContact CB-CG 4.14Å; P321-L326 HydrophobicContact CG-CD2 4.18Å; P321-L326 HydrophobicContact CG-CG 4.45Å; P321-L394 VanDerWaalsContact CD-CD2 3.49Å; P321-L394 HydrophobicContact CG-CD2 3.61Å
322E85.2Confident89.4Confident72 Ų7242 Ų4234%0.33623%0.226SC..  trans-82.3158.5167.1-66.6-177173.500110.7R260 N324 D325 L326R260-E322 IonicContact CZ-OE1 3.16Å; R260-E322 IonicContact NE-OE1 3.09Å; R260-E322 PolarHBondContact NE-OE1 2.88Å; R260-E322 IonicContact NH1-OE1 3.89Å; R260-E322 IonicContact NH2-OE1 2.85Å; R260-E322 PolarHBondContact NH2-OE1 3.43Å; E322-N324 PolarHBondContact O-N 2.9Å; E322-D325 WeakPolarHBondContact O-CB 3.47Å; E322-D325 PolarHBondContact O-N 3.45Å; E322-L326 PolarHBondContact O-N 3.23Å
323V86.2Confident89.5Confident63 Ų6344.7 Ų44.738%0.38224%0.24SC..Hα-helixtrans-60.4-34.2175.4-174.50000111.4L326 F327 L375V323-L326 PolarHBondContact O-N 3.29Å; V323-F327 WeakPolarHBondContact O-CB 3.29Å; V323-F327 PolarHBondContact O-N 2.95Å; V323-L375 HydrophobicContact CG1-CD2 3.43Å; V323-L375 VanDerWaalsContact CG1-CD2 3.43Å
324N88.1Confident89.6Confident94 Ų9444.7 Ų44.750%0.50324%0.241SC..Hα-helixtrans-63.8-41.4173.1-17761.5000112.1E322 L326 F327 V328E322-N324 PolarHBondContact O-N 2.9Å; N324-L326 PolarHBondContact O-N 2.97Å; N324-F327 WeakPolarHBondContact O-CB 3.08Å; N324-F327 PolarHBondContact O-N 2.9Å; N324-V328 VanDerWaalsContact O-CG2 3.31Å; N324-V328 WeakPolarHBondContact O-CG2 3.49Å; N324-V328 PolarHBondContact O-N 3.25Å
325D87.9Confident89.7Confident30 Ų3045.4 Ų45.416%0.1624%0.243CC..Hα-helixtrans-65.2-41.1178.8-67.2-20.7000111.2R317 E322 F327 V328 L329R317-D325 IonicContact CZ-OD1 3.62Å; R317-D325 IonicContact CZ-OD2 3.17Å; R317-D325 IonicContact NH1-OD1 2.69Å; R317-D325 PolarHBondContact NH1-OD1 2.93Å; R317-D325 IonicContact NH1-OD2 2.69Å; R317-D325 PolarHBondContact NH1-OD2 3.39Å; E322-D325 WeakPolarHBondContact O-CB 3.47Å; E322-D325 PolarHBondContact O-N 3.45Å; D325-F327 VanDerWaalsContact C-N 3.35Å; D325-V328 PolarHBondContact O-N 3.14Å; D325-L329 WeakPolarHBondContact O-CB 3.29Å; D325-L329 PolarHBondContact O-N 3.24Å
326L88.6Confident89.6Confident78 Ų7846.4 Ų46.441%0.40825%0.248SC..Hα-helixtrans-64.6-38.9174.4-64.6178.6000112.2P321 E322 V323 N324 S330P321-L326 HydrophobicContact CB-CD2 4.01Å; P321-L326 HydrophobicContact CB-CG 4.14Å; P321-L326 HydrophobicContact CG-CD2 4.18Å; P321-L326 HydrophobicContact CG-CG 4.45Å; E322-L326 PolarHBondContact O-N 3.23Å; V323-L326 PolarHBondContact O-N 3.29Å; N324-L326 PolarHBondContact O-N 2.97Å; L326-S330 WeakPolarHBondContact O-CB 3.44Å; L326-S330 PolarHBondContact O-N 3.48Å; L326-S330 PolarHBondContact O-OG 3.05Å
327F91.6Very high89.6Confident49 Ų4947.6 Ų47.622%0.21525%0.254CS..Hα-helixtrans-65.3-45.4175.2178.3-114.7000112.3V323 N324 D325 L329 S330 L331 L367 I368 W371V323-F327 WeakPolarHBondContact O-CB 3.29Å; V323-F327 PolarHBondContact O-N 2.95Å; N324-F327 WeakPolarHBondContact O-CB 3.08Å; N324-F327 PolarHBondContact O-N 2.9Å; D325-F327 VanDerWaalsContact C-N 3.35Å; F327-L329 VanDerWaalsContact C-N 3.31Å; F327-L329 PolarHBondContact O-N 3.31Å; F327-S330 PolarHBondContact O-N 2.93Å; F327-S330 PolarHBondContact O-OG 3.01Å; F327-L331 VanDerWaalsContact O-CB 3.3Å; F327-L331 WeakPolarHBondContact O-CB 3.29Å; F327-L331 PolarHBondContact O-N 2.94Å; F327-L367 HydrophobicContact CE2-CD2 4.32Å; F327-L367 HydrophobicContact CE2-CG 4.34Å; F327-I368 HydrophobicContact CZ-CG1 4.24Å; F327-W371 HydrophobicContact CD2-CB 4.49Å; F327-W371 AromaticContact CD2-CD1 3.15Å; F327-W371 AromaticContact CD2-CG 3.94Å; F327-W371 HydrophobicContact CD2-CG 3.94Å; F327-W371 AromaticContact CD2-NE1 3.6Å; F327-W371 AromaticContact CE2-CD1 3.94Å; F327-W371 HydrophobicContact CE2-CG 4.47Å; F327-W371 AromaticContact CG-CD1 3.76Å; F327-W371 AromaticContact CG-NE1 3.9Å
328V91.1Very high89.5Confident67 Ų6743.9 Ų43.941%0.40624%0.24SC..Hα-helixtrans-64.4-40.8178.3172.80000110.2N324 D325 L331 V332N324-V328 VanDerWaalsContact O-CG2 3.31Å; N324-V328 WeakPolarHBondContact O-CG2 3.49Å; N324-V328 PolarHBondContact O-N 3.25Å; D325-V328 PolarHBondContact O-N 3.14Å; V328-L331 PolarHBondContact O-N 3.5Å; V328-V332 WeakPolarHBondContact O-CG2 3.42Å; V328-V332 PolarHBondContact O-N 2.95Å
329L89.6Confident89.5Confident91 Ų9148.3 Ų48.348%0.47625%0.252SS..Hα-helixtrans-61.6-45.7175-17866.3000111.7D325 F327 L331 V332 L333D325-L329 WeakPolarHBondContact O-CB 3.29Å; D325-L329 PolarHBondContact O-N 3.24Å; F327-L329 VanDerWaalsContact C-N 3.31Å; F327-L329 PolarHBondContact O-N 3.31Å; L329-L331 VanDerWaalsContact C-N 3.34Å; L329-L331 PolarHBondContact O-N 3.44Å; L329-V332 PolarHBondContact O-N 3.41Å; L329-L333 HydrophobicContact CD1-CD1 4.46Å; L329-L333 HydrophobicContact CG-CD1 4.18Å; L329-L333 WeakPolarHBondContact O-CG 3.45Å; L329-L333 PolarHBondContact O-N 3.4Å
330S91.9Very high89.5Confident27 Ų2748.2 Ų48.219%0.18925%0.252CS..Hα-helixtrans-65.1-39178.168.60000111.7L326 F327 L333 V334L326-S330 WeakPolarHBondContact O-CB 3.44Å; L326-S330 PolarHBondContact O-N 3.48Å; L326-S330 PolarHBondContact O-OG 3.05Å; F327-S330 PolarHBondContact O-N 2.93Å; F327-S330 PolarHBondContact O-OG 3.01Å; S330-L333 PolarHBondContact O-N 3.24Å; S330-V334 WeakPolarHBondContact O-CB 3.48Å; S330-V334 VanDerWaalsContact O-CG2 3.24Å; S330-V334 WeakPolarHBondContact O-CG2 3.42Å; S330-V334 PolarHBondContact O-N 3.24Å
331L93.1Very high89.3Confident49 Ų4947.5 Ų47.526%0.25725%0.249SC..Hα-helixtrans-60.6-45.8174.4-177.567.1000111.8F327 V328 L329 N335 N364 L367F327-L331 VanDerWaalsContact O-CB 3.3Å; F327-L331 WeakPolarHBondContact O-CB 3.29Å; F327-L331 PolarHBondContact O-N 2.94Å; V328-L331 PolarHBondContact O-N 3.5Å; L329-L331 VanDerWaalsContact C-N 3.34Å; L329-L331 PolarHBondContact O-N 3.44Å; L331-N335 VanDerWaalsContact O-CB 3.31Å; L331-N335 WeakPolarHBondContact O-CB 3.34Å; L331-N335 PolarHBondContact O-N 3.44Å; L331-N335 PolarHBondContact O-ND2 3.5Å; L331-N335 VanDerWaalsContact O-ND2 3.1Å; L331-N364 WeakPolarHBondContact CD1-OD1 3.31Å; L331-L367 VanDerWaalsContact CA-CD2 3.49Å; L331-L367 HydrophobicContact CB-CD2 3.98Å; L331-L367 HydrophobicContact CD1-CD2 3.9Å
332V91.1Very high89.1Confident62 Ų6248 Ų4838%0.37625%0.25SS..Hα-helixtrans-62.9-46.2176.8171.30000110.9V328 L329 N335 L336V328-V332 WeakPolarHBondContact O-CG2 3.42Å; V328-V332 PolarHBondContact O-N 2.95Å; L329-V332 PolarHBondContact O-N 3.41Å; V332-N335 PolarHBondContact O-N 3.45Å; V332-L336 HydrophobicContact CG1-CD1 4.1Å; V332-L336 HydrophobicContact CG1-CG 4.48Å; V332-L336 WeakPolarHBondContact O-CG 3.49Å; V332-L336 PolarHBondContact O-N 3.45Å
333L90.5Very high89.1Confident57 Ų5745 Ų4530%0.29824%0.236SC..Hα-helixtrans-63.6-42.8179.5-71.4172.7000112.3L8 F12 L329 S330 L336 M337L8-L333 HydrophobicContact CD2-CD2 4.21Å; F12-L333 HydrophobicContact CE2-CD2 3.78Å; F12-L333 HydrophobicContact CZ-CD2 3.88Å; L329-L333 HydrophobicContact CD1-CD1 4.46Å; L329-L333 HydrophobicContact CG-CD1 4.18Å; L329-L333 WeakPolarHBondContact O-CG 3.45Å; L329-L333 PolarHBondContact O-N 3.4Å; S330-L333 PolarHBondContact O-N 3.24Å; L333-L336 PolarHBondContact O-N 2.92Å; L333-M337 WeakPolarHBondContact O-CG 3.42Å; L333-M337 PolarHBondContact O-N 3.45Å
334V91.7Very high88.8Confident21 Ų2143.4 Ų43.413%0.12723%0.225CC..Hα-helixtrans-65.3-41.7177.3169.80000111.4S330 M337 A338 Y363 L367S330-V334 WeakPolarHBondContact O-CB 3.48Å; S330-V334 VanDerWaalsContact O-CG2 3.24Å; S330-V334 WeakPolarHBondContact O-CG2 3.42Å; S330-V334 PolarHBondContact O-N 3.24Å; V334-M337 HydrophobicContact CB-CE 4.34Å; V334-M337 HydrophobicContact CG2-CE 3.84Å; V334-M337 WeakPolarHBondContact O-CB 3.21Å; V334-M337 PolarHBondContact O-N 2.89Å; V334-A338 PolarHBondContact O-N 3.33Å; V334-Y363 HydrophobicContact CG1-CD2 4.16Å; V334-Y363 HydrophobicContact CG1-CG 4.34Å; V334-L367 HydrophobicContact CB-CD2 4.32Å; V334-L367 HydrophobicContact CG2-CD1 4.22Å; V334-L367 HydrophobicContact CG2-CD2 4.25Å
335N91.8Very high88.4Confident40 Ų4040.1 Ų40.121%0.21421%0.208CC..Hα-helixtrans-62.4-46.6174.3-75.9-32.4000111.2L331 V332 M337 A338 W339 L360 N364L331-N335 VanDerWaalsContact O-CB 3.31Å; L331-N335 WeakPolarHBondContact O-CB 3.34Å; L331-N335 PolarHBondContact O-N 3.44Å; L331-N335 PolarHBondContact O-ND2 3.5Å; L331-N335 VanDerWaalsContact O-ND2 3.1Å; V332-N335 PolarHBondContact O-N 3.45Å; N335-M337 VanDerWaalsContact C-N 3.3Å; N335-M337 PolarHBondContact O-N 2.9Å; N335-A338 WeakPolarHBondContact O-CB 3.49Å; N335-A338 PolarHBondContact O-N 3.27Å; N335-W339 PolarHBondContact O-N 3Å; N335-L360 WeakPolarHBondContact OD1-CD1 3.4Å; N335-N364 PolarHBondContact OD1-ND2 2.92Å; N335-N364 PolarHBondContact OD1-OD1 2.91Å
336L90.2Very high87.5Confident22 Ų2244.5 Ų44.512%0.11523%0.228CC..Hα-helixtrans-57.5-43.8174.3-69.8172.8000111.1L8 F12 V332 L333 A338 W339 M340 F420 Y424L8-L336 HydrophobicContact CD1-CB 4.05Å; F12-L336 HydrophobicContact CZ-CD1 4.22Å; V332-L336 HydrophobicContact CG1-CD1 4.1Å; V332-L336 HydrophobicContact CG1-CG 4.48Å; V332-L336 WeakPolarHBondContact O-CG 3.49Å; V332-L336 PolarHBondContact O-N 3.45Å; L333-L336 PolarHBondContact O-N 2.92Å; L336-A338 VanDerWaalsContact C-N 3.3Å; L336-A338 PolarHBondContact O-N 2.85Å; L336-W339 PolarHBondContact O-N 3.15Å; L336-M340 PolarHBondContact O-N 3.36Å; L336-F420 HydrophobicContact CD1-CZ 4.35Å; L336-F420 HydrophobicContact CD2-CE1 4.33Å; L336-Y424 HydrophobicContact CD2-CD2 4.49Å; L336-Y424 HydrophobicContact CD2-CE2 4.02Å; L336-Y424 PolarHBondContact O-OH 3.29Å
337M89Confident86.5Confident26 Ų2643.1 Ų43.113%0.12823%0.233CC..Hα-helixtrans-60.7-35.9174.5-72.1-170.4-66.100113.6L5 L8 L333 V334 N335 M340L5-M337 HydrophobicContact CB-SD 4.46Å; L5-M337 HydrophobicContact CD1-SD 4.22Å; L8-M337 HydrophobicContact CD2-CG 3.66Å; L333-M337 WeakPolarHBondContact O-CG 3.42Å; L333-M337 PolarHBondContact O-N 3.45Å; V334-M337 HydrophobicContact CB-CE 4.34Å; V334-M337 HydrophobicContact CG2-CE 3.84Å; V334-M337 WeakPolarHBondContact O-CB 3.21Å; V334-M337 PolarHBondContact O-N 2.89Å; N335-M337 VanDerWaalsContact C-N 3.3Å; N335-M337 PolarHBondContact O-N 2.9Å; M337-M340 WeakPolarHBondContact O-CB 3.46Å
338A89.1Confident85.6Confident0 Ų042.7 Ų42.70%024%0.239CC..Hα-helixtrans-69.2-41176.100000111.6V334 N335 L336 M340 D341 L356 L360 Y363V334-A338 PolarHBondContact O-N 3.33Å; N335-A338 WeakPolarHBondContact O-CB 3.49Å; N335-A338 PolarHBondContact O-N 3.27Å; L336-A338 VanDerWaalsContact C-N 3.3Å; L336-A338 PolarHBondContact O-N 2.85Å; A338-M340 PolarHBondContact O-N 3.31Å; A338-D341 WeakPolarHBondContact O-CB 3.42Å; A338-D341 PolarHBondContact O-N 3Å; A338-L356 VanDerWaalsContact O-CD1 3.28Å; A338-L356 WeakPolarHBondContact O-CD1 3.49Å; A338-L360 HydrophobicContact CB-CD1 4.16Å; A338-Y363 HydrophobicContact CB-CD2 4.12Å
339W89.4Confident85Confident119 Ų11944.2 Ų44.245%0.45125%0.248SC..Hα-helixtrans-61.7-26177-85.489.5000113.6N335 L336 D341 L342 L356 Y424N335-W339 PolarHBondContact O-N 3Å; L336-W339 PolarHBondContact O-N 3.15Å; W339-D341 PolarHBondContact O-N 3.29Å; W339-L342 WeakPolarHBondContact O-CB 3.21Å; W339-L342 PolarHBondContact O-N 2.69Å; W339-L356 HydrophobicContact CD2-CD2 4.49Å; W339-L356 HydrophobicContact CE3-CD2 4.23Å; W339-L356 HydrophobicContact CZ3-CD2 4.29Å; W339-Y424 HydrophobicContact CB-CE1 4.12Å
340M86.4Confident84.5Confident0 Ų045.4 Ų45.40%025%0.254CS..THydrogen-bonded Turntrans-61.8-24.5173.1-78.2-72.8140.300113.2L336 M337 A338 L342 F343 I344 Y424 I431L336-M340 PolarHBondContact O-N 3.36Å; M337-M340 WeakPolarHBondContact O-CB 3.46Å; A338-M340 PolarHBondContact O-N 3.31Å; M340-L342 PolarHBondContact O-N 2.95Å; M340-F343 PolarHBondContact O-N 3.03Å; M340-I344 HydrophobicContact CB-CD1 4.4Å; M340-I344 PolarHBondContact O-N 3.41Å; M340-Y424 HydrophobicContact CE-CD2 3.85Å; M340-Y424 HydrophobicContact CE-CE1 3.89Å; M340-Y424 HydrophobicContact CE-CE2 3.13Å; M340-Y424 HydrophobicContact CE-CG 4.49Å; M340-Y424 WeakPolarHBondContact CE-OH 3.41Å; M340-Y424 WeakPolarHBondContact CG-OH 3.47Å; M340-Y424 PolarHBondContact N-OH 2.96Å; M340-I431 HydrophobicContact SD-CD1 4.04Å
341D83.6Confident84Confident10 Ų1047 Ų475%0.05326%0.257CS..Hα-helixtrans-63.8-25.2178-76-43.8000113.1K4 A338 W339 F343 I344 T345 T359K4-D341 WeakPolarHBondContact CE-OD1 3.32Å; K4-D341 IonicContact NZ-OD1 2.62Å; K4-D341 PolarHBondContact NZ-OD1 3.48Å; K4-D341 IonicContact NZ-OD2 2.62Å; K4-D341 PolarHBondContact NZ-OD2 3.34Å; A338-D341 WeakPolarHBondContact O-CB 3.42Å; A338-D341 PolarHBondContact O-N 3Å; W339-D341 PolarHBondContact O-N 3.29Å; D341-F343 PolarHBondContact O-N 3.4Å; D341-I344 PolarHBondContact O-N 3.43Å; D341-T345 HydrophobicContact CB-CG2 4.21Å; D341-T345 VanDerWaalsContact O-CB 3.27Å; D341-T345 WeakPolarHBondContact O-CB 3.27Å; D341-T345 WeakPolarHBondContact O-CG2 3.34Å; D341-T345 PolarHBondContact O-N 2.86Å; D341-T345 PolarHBondContact O-OG1 3.44Å; D341-T359 WeakPolarHBondContact OD2-CG2 3.33Å; D341-T359 PolarHBondContact OD2-OG1 3.03Å
342L85.2Confident83.5Confident30 Ų3047 Ų4716%0.15725%0.254CS..Hα-helixtrans-59.1-29.7174.6-172.5147.1000112W339 M340 R352 F353 L356W339-L342 WeakPolarHBondContact O-CB 3.21Å; W339-L342 PolarHBondContact O-N 2.69Å; M340-L342 PolarHBondContact O-N 2.95Å; L342-R352 WeakPolarHBondContact O-CD 3.31Å; L342-F353 HydrophobicContact CD1-CE1 4.01Å; L342-F353 HydrophobicContact CD1-CZ 4.28Å; L342-L356 HydrophobicContact CD1-CD2 4.12Å
343F84.7Confident83.3Confident9 Ų949.2 Ų49.24%0.03926%0.258CS..Hα-helixtrans-95.5-35.3-177.9-58.1-71.6000113.1M340 D341 L425 G428 L429 D432M340-F343 PolarHBondContact O-N 3.03Å; D341-F343 PolarHBondContact O-N 3.4Å; F343-L425 HydrophobicContact CZ-CD2 3.82Å; F343-G428 WeakPolarHBondContact CB-O 3.47Å; F343-G428 VanDerWaalsContact CD1-C 3.41Å; F343-G428 WeakPolarHBondContact CD1-O 3.29Å; F343-G428 WeakPolarHBondContact CG-O 3.46Å; F343-L429 HydrophobicContact CD1-CD2 4.44Å; F343-L429 HydrophobicContact CE1-CD2 4.12Å; F343-L429 HydrophobicContact CE1-CG 4.23Å; F343-D432 HydrophobicContact CB-CB 4.37Å
344I80.8Confident83Confident31 Ų3148.8 Ų48.816%0.15926%0.258CS..Hα-helixtrans-79.6-30.6-177.5-60.9169.8000111.6K4 M340 D341 I431K4-I344 HydrophobicContact CG-CD1 4.09Å; M340-I344 HydrophobicContact CB-CD1 4.4Å; M340-I344 PolarHBondContact O-N 3.41Å; D341-I344 PolarHBondContact O-N 3.43Å; I344-I431 HydrophobicContact CG1-CG2 4.49Å
345T78.9Confident82.6Confident24 Ų2448.9 Ų48.915%0.14726%0.259CS..  trans-74.4136.9-174.855.90000112.9D341 R352 V355D341-T345 HydrophobicContact CB-CG2 4.21Å; D341-T345 VanDerWaalsContact O-CB 3.27Å; D341-T345 WeakPolarHBondContact O-CB 3.27Å; D341-T345 WeakPolarHBondContact O-CG2 3.34Å; D341-T345 PolarHBondContact O-N 2.86Å; D341-T345 PolarHBondContact O-OG1 3.44Å; T345-R352 PolarHBondContact O-NE 3.01Å; T345-R352 PolarHBondContact O-NH2 2.83Å; T345-R352 VanDerWaalsContact O-NH2 3.08Å; T345-R352 WeakPolarHBondContact OG1-CG 3.25Å; T345-V355 HydrophobicContact CG2-CB 4.33Å; T345-V355 HydrophobicContact CG2-CG1 3.74Å
346Q69.9Low82.4Confident122 Ų12247.5 Ų47.557%0.5725%0.251SS*.  trans-88.4144.6179.5-64.3173.268.100111.6K351 R439Q346-K351 WeakPolarHBondContact O-CD 3.35Å; Q346-R439 VanDerWaalsContact OE1-NH1 3.15Å
347G66.5Low82.4Confident50 Ų5052.3 Ų52.352%0.51528%0.276SS..SBendtrans119.9-167.8170.200000114.3
348A73.8Confident82.3Confident40 Ų4051.6 Ų51.633%0.33127%0.274SS..  trans-57.8155.117900000112.1I350 K351 R352A348-I350 PolarHBondContact O-N 2.76Å; A348-K351 WeakPolarHBondContact O-CA 3.3Å; A348-K351 VanDerWaalsContact O-CB 3.29Å; A348-K351 WeakPolarHBondContact O-CB 3.1Å; A348-K351 PolarHBondContact O-N 2.96Å; A348-R352 PolarHBondContact O-N 3.49Å
349T77.1Confident82.2Confident99 Ų9952.2 Ų52.261%0.60728%0.278SS*.Hα-helixtrans-54.3-39.1178.550.20000112.1K351 R352 F353T349-K351 VanDerWaalsContact C-N 3.29Å; T349-K351 PolarHBondContact O-N 3.3Å; T349-R352 WeakPolarHBondContact O-CB 3.43Å; T349-R352 PolarHBondContact O-N 3.5Å; T349-F353 WeakPolarHBondContact O-CD2 3.24Å; T349-F353 PolarHBondContact O-N 2.98Å
350I80.6Confident82.3Confident115 Ų11549.2 Ų49.259%0.5927%0.27SS*.Hα-helixtrans-59-41.5175.9-60.9167.9000110.9A348 R352 F353 V354A348-I350 PolarHBondContact O-N 2.76Å; I350-R352 PolarHBondContact O-N 3.2Å; I350-F353 PolarHBondContact O-N 2.95Å; I350-V354 HydrophobicContact CG2-CG2 4.43Å; I350-V354 WeakPolarHBondContact O-CG2 3.34Å; I350-V354 PolarHBondContact O-N 3.49Å
351K79.9Confident82.5Confident62 Ų6251 Ų5127%0.2729%0.288SS..Hα-helixtrans-60.1-45.3175.9179.7165.8-172.5179.20112.7Q346 A348 T349 F353 V354 V355 W454Q346-K351 WeakPolarHBondContact O-CD 3.35Å; A348-K351 WeakPolarHBondContact O-CA 3.3Å; A348-K351 VanDerWaalsContact O-CB 3.29Å; A348-K351 WeakPolarHBondContact O-CB 3.1Å; A348-K351 PolarHBondContact O-N 2.96Å; T349-K351 VanDerWaalsContact C-N 3.29Å; T349-K351 PolarHBondContact O-N 3.3Å; K351-F353 PolarHBondContact O-N 2.87Å; K351-V354 PolarHBondContact O-N 3.35Å; K351-V355 HydrophobicContact CG-CG2 4.48Å; K351-V355 WeakPolarHBondContact O-CG2 3.36Å; K351-V355 PolarHBondContact O-N 3.12Å; K351-W454 HydrophobicContact CB-CD2 3.95Å; K351-W454 VanDerWaalsContact CB-CE2 3.47Å; K351-W454 HydrophobicContact CB-CE3 4.26Å; K351-W454 HydrophobicContact CB-CH2 3.82Å; K351-W454 HydrophobicContact CB-CZ2 3.4Å; K351-W454 VanDerWaalsContact CB-CZ2 3.4Å; K351-W454 HydrophobicContact CB-CZ3 4.19Å; K351-W454 HydrophobicContact CD-CB 4.18Å; K351-W454 HydrophobicContact CD-CD2 3.33Å; K351-W454 HydrophobicContact CD-CE3 3.76Å; K351-W454 HydrophobicContact CD-CG 3.5Å; K351-W454 HydrophobicContact CD-CZ2 4.42Å; K351-W454 HydrophobicContact CD-CZ3 4.46Å; K351-W454 HydrophobicContact CG-CD2 3.45Å; K351-W454 VanDerWaalsContact CG-CD2 3.45Å; K351-W454 HydrophobicContact CG-CE3 3.49Å; K351-W454 VanDerWaalsContact CG-CE3 3.49Å; K351-W454 HydrophobicContact CG-CG 4.18Å; K351-W454 HydrophobicContact CG-CH2 3.88Å; K351-W454 HydrophobicContact CG-CZ2 3.78Å; K351-W454 HydrophobicContact CG-CZ3 3.7Å
352R83.8Confident82.7Confident47 Ų4751.5 Ų51.518%0.17729%0.292CS..Hα-helixtrans-61.8-42.8177.9-60179.3160-163.9-8.5111.8L342 T345 A348 T349 I350 L356 D432L342-R352 WeakPolarHBondContact O-CD 3.31Å; T345-R352 PolarHBondContact O-NE 3.01Å; T345-R352 PolarHBondContact O-NH2 2.83Å; T345-R352 VanDerWaalsContact O-NH2 3.08Å; T345-R352 WeakPolarHBondContact OG1-CG 3.25Å; A348-R352 PolarHBondContact O-N 3.49Å; T349-R352 WeakPolarHBondContact O-CB 3.43Å; T349-R352 PolarHBondContact O-N 3.5Å; I350-R352 PolarHBondContact O-N 3.2Å; R352-L356 VanDerWaalsContact O-CB 3.3Å; R352-L356 WeakPolarHBondContact O-CB 3.2Å; R352-L356 PolarHBondContact O-N 3.33Å; R352-D432 IonicContact CZ-OD1 3.15Å; R352-D432 IonicContact NH1-OD1 3.34Å; R352-D432 IonicContact NH2-OD1 2.77Å; R352-D432 PolarHBondContact NH2-OD1 3.08Å
353F86.1Confident83Confident109 Ų10952.6 Ų52.648%0.47829%0.294SS..Hα-helixtrans-68.8-41.5179.9-79.8-68.9000113.5L342 T349 I350 K351 L356 I357L342-F353 HydrophobicContact CD1-CE1 4.01Å; L342-F353 HydrophobicContact CD1-CZ 4.28Å; T349-F353 WeakPolarHBondContact O-CD2 3.24Å; T349-F353 PolarHBondContact O-N 2.98Å; I350-F353 PolarHBondContact O-N 2.95Å; K351-F353 PolarHBondContact O-N 2.87Å; F353-L356 HydrophobicContact CD1-CD2 4.5Å; F353-L356 WeakPolarHBondContact O-CB 3.45Å; F353-L356 PolarHBondContact O-N 3.38Å; F353-I357 WeakPolarHBondContact O-CG1 3.37Å; F353-I357 PolarHBondContact O-N 3.44Å
354V85.2Confident83.4Confident48 Ų4853.7 Ų53.729%0.29130%0.3SS..Hα-helixtrans-66.5-44177.9172.80000110.8I350 K351 L356 I357 S358 W454 L455 L458I350-V354 HydrophobicContact CG2-CG2 4.43Å; I350-V354 WeakPolarHBondContact O-CG2 3.34Å; I350-V354 PolarHBondContact O-N 3.49Å; K351-V354 PolarHBondContact O-N 3.35Å; V354-L356 VanDerWaalsContact C-N 3.29Å; V354-L356 PolarHBondContact O-N 2.98Å; V354-I357 PolarHBondContact O-N 2.85Å; V354-S358 PolarHBondContact O-N 2.83Å; V354-W454 HydrophobicContact CB-CH2 3.61Å; V354-W454 HydrophobicContact CB-CZ3 4.11Å; V354-W454 HydrophobicContact CG1-CH2 3.87Å; V354-W454 HydrophobicContact CG1-CZ3 4.04Å; V354-W454 HydrophobicContact CG2-CH2 3.94Å; V354-L455 HydrophobicContact CG1-CD2 4.45Å; V354-L455 HydrophobicContact CG2-CD2 4.48Å; V354-L458 HydrophobicContact CG1-CD2 3.77Å
355V83.7Confident84Confident24 Ų2455.2 Ų55.215%0.14531%0.314CS..Hα-helixtrans-59.4-43.7174.31770000110T345 K351 I357 S358 T359 W454 L458T345-V355 HydrophobicContact CG2-CB 4.33Å; T345-V355 HydrophobicContact CG2-CG1 3.74Å; K351-V355 HydrophobicContact CG-CG2 4.48Å; K351-V355 WeakPolarHBondContact O-CG2 3.36Å; K351-V355 PolarHBondContact O-N 3.12Å; V355-I357 PolarHBondContact O-N 3.42Å; V355-S358 PolarHBondContact O-N 3.41Å; V355-T359 HydrophobicContact CG1-CG2 4.02Å; V355-T359 WeakPolarHBondContact O-CG2 3.47Å; V355-T359 PolarHBondContact O-N 3.42Å; V355-T359 PolarHBondContact O-OG1 3.3Å; V355-W454 HydrophobicContact CG2-CZ3 4.3Å; V355-L458 HydrophobicContact CG2-CD1 3.62Å
356L87.8Confident84.5Confident10 Ų1057.7 Ų57.75%0.05233%0.326CS..Hα-helixtrans-58.8-46176.8175.565.1000112.8A338 W339 L342 R352 F353 V354 S358 T359 L360A338-L356 VanDerWaalsContact O-CD1 3.28Å; A338-L356 WeakPolarHBondContact O-CD1 3.49Å; W339-L356 HydrophobicContact CD2-CD2 4.49Å; W339-L356 HydrophobicContact CE3-CD2 4.23Å; W339-L356 HydrophobicContact CZ3-CD2 4.29Å; L342-L356 HydrophobicContact CD1-CD2 4.12Å; R352-L356 VanDerWaalsContact O-CB 3.3Å; R352-L356 WeakPolarHBondContact O-CB 3.2Å; R352-L356 PolarHBondContact O-N 3.33Å; F353-L356 HydrophobicContact CD1-CD2 4.5Å; F353-L356 WeakPolarHBondContact O-CB 3.45Å; F353-L356 PolarHBondContact O-N 3.38Å; V354-L356 VanDerWaalsContact C-N 3.29Å; V354-L356 PolarHBondContact O-N 2.98Å; L356-S358 VanDerWaalsContact C-N 3.29Å; L356-S358 PolarHBondContact O-N 2.83Å; L356-T359 WeakPolarHBondContact CA-OG1 3.4Å; L356-T359 PolarHBondContact O-N 3.27Å; L356-T359 PolarHBondContact O-OG1 2.92Å; L356-T359 VanDerWaalsContact O-OG1 3.12Å; L356-L360 WeakPolarHBondContact O-CB 3.47Å; L356-L360 PolarHBondContact O-N 3.42Å
357I89.3Confident85.6Confident123 Ų12352.9 Ų52.963%0.63130%0.304SS*.Hα-helixtrans-62.3-42.8178.7-68.4166.3000110F353 V354 V355 G361F353-I357 WeakPolarHBondContact O-CG1 3.37Å; F353-I357 PolarHBondContact O-N 3.44Å; V354-I357 PolarHBondContact O-N 2.85Å; V355-I357 PolarHBondContact O-N 3.42Å; I357-G361 PolarHBondContact O-N 3.45Å
358S87Confident86.8Confident12 Ų1254.8 Ų54.88%0.08430%0.301CS..Hα-helixtrans-66.8-41.9178.1-166.90000112.4V354 V355 L356 G361 T362 W461V354-S358 PolarHBondContact O-N 2.83Å; V355-S358 PolarHBondContact O-N 3.41Å; L356-S358 VanDerWaalsContact C-N 3.29Å; L356-S358 PolarHBondContact O-N 2.83Å; S358-G361 PolarHBondContact O-N 3.25Å; S358-T362 WeakPolarHBondContact O-CB 3.34Å; S358-T362 VanDerWaalsContact O-CG2 3.31Å; S358-T362 WeakPolarHBondContact O-CG2 3.46Å; S358-T362 PolarHBondContact O-N 2.96Å; S358-T362 PolarHBondContact O-OG1 3.12Å; S358-W461 WeakPolarHBondContact OG-CZ3 3.14Å
359T86.5Confident87.7Confident13 Ų1358 Ų588%0.0831%0.312CS..Hα-helixtrans-69.8-37.9178.457.60000111.6D341 V355 L356 T362 Y363D341-T359 WeakPolarHBondContact OD2-CG2 3.33Å; D341-T359 PolarHBondContact OD2-OG1 3.03Å; V355-T359 HydrophobicContact CG1-CG2 4.02Å; V355-T359 WeakPolarHBondContact O-CG2 3.47Å; V355-T359 PolarHBondContact O-N 3.42Å; V355-T359 PolarHBondContact O-OG1 3.3Å; L356-T359 WeakPolarHBondContact CA-OG1 3.4Å; L356-T359 PolarHBondContact O-N 3.27Å; L356-T359 PolarHBondContact O-OG1 2.92Å; L356-T359 VanDerWaalsContact O-OG1 3.12Å; T359-T362 WeakPolarHBondContact CA-OG1 3.3Å; T359-T362 PolarHBondContact O-OG1 3.38Å; T359-T362 VanDerWaalsContact O-OG1 3.08Å; T359-Y363 WeakPolarHBondContact O-CB 3.28Å; T359-Y363 WeakPolarHBondContact O-CD1 3.46Å; T359-Y363 VanDerWaalsContact O-CG 3.29Å; T359-Y363 PolarHBondContact O-N 2.86Å
360L91.6Very high88.3Confident55 Ų5556.2 Ų56.229%0.28830%0.303SS..Hα-helixtrans-61.8-46.1174.3-171.371.1000111.6N335 A338 L356 N364N335-L360 WeakPolarHBondContact OD1-CD1 3.4Å; A338-L360 HydrophobicContact CB-CD1 4.16Å; L356-L360 WeakPolarHBondContact O-CB 3.47Å; L356-L360 PolarHBondContact O-N 3.42Å; L360-N364 VanDerWaalsContact O-CB 3.3Å; L360-N364 WeakPolarHBondContact O-CB 3.2Å; L360-N364 PolarHBondContact O-N 3.37Å; L360-N364 VanDerWaalsContact O-N 3.08Å; L360-N364 PolarHBondContact O-ND2 3.25Å
361G90.4Very high88.8Confident37 Ų3753.6 Ų53.638%0.38129%0.286SS..Hα-helixtrans-64.2-48.3177.700000112.5I357 S358 S365I357-G361 PolarHBondContact O-N 3.45Å; S358-G361 PolarHBondContact O-N 3.25Å; G361-S365 VanDerWaalsContact O-CB 3.27Å; G361-S365 WeakPolarHBondContact O-CB 3.32Å; G361-S365 PolarHBondContact O-N 3.47Å; G361-S365 PolarHBondContact O-OG 3.24Å
362T88.9Confident89.2Confident21 Ų2156.2 Ų56.213%0.12930%0.302CS..Hα-helixtrans-64.6-45.2179.351.10000111.8S358 T359 S365 L366S358-T362 WeakPolarHBondContact O-CB 3.34Å; S358-T362 VanDerWaalsContact O-CG2 3.31Å; S358-T362 WeakPolarHBondContact O-CG2 3.46Å; S358-T362 PolarHBondContact O-N 2.96Å; S358-T362 PolarHBondContact O-OG1 3.12Å; T359-T362 WeakPolarHBondContact CA-OG1 3.3Å; T359-T362 PolarHBondContact O-OG1 3.38Å; T359-T362 VanDerWaalsContact O-OG1 3.08Å; T362-S365 PolarHBondContact O-N 3.01Å; T362-L366 WeakPolarHBondContact O-CB 3.23Å; T362-L366 VanDerWaalsContact O-CG 3.23Å; T362-L366 WeakPolarHBondContact O-CG 3.12Å; T362-L366 PolarHBondContact O-N 3.37Å
363Y91.6Very high89.4Confident53 Ų5357.1 Ų57.121%0.20831%0.314CS..Hα-helixtrans-68.1-43.2-177.6-77.518.4000112.2K4 V334 A338 T359 S365 L366 L367K4-Y363 PolarHBondContact NZ-OH 3.05Å; V334-Y363 HydrophobicContact CG1-CD2 4.16Å; V334-Y363 HydrophobicContact CG1-CG 4.34Å; A338-Y363 HydrophobicContact CB-CD2 4.12Å; T359-Y363 WeakPolarHBondContact O-CB 3.28Å; T359-Y363 WeakPolarHBondContact O-CD1 3.46Å; T359-Y363 VanDerWaalsContact O-CG 3.29Å; T359-Y363 PolarHBondContact O-N 2.86Å; Y363-S365 VanDerWaalsContact C-N 3.35Å; Y363-L366 PolarHBondContact O-N 3.37Å; Y363-L367 WeakPolarHBondContact O-CB 3.42Å; Y363-L367 PolarHBondContact O-N 2.91Å
364N92.7Very high89.4Confident32 Ų3254.1 Ų54.117%0.17131%0.305CS..Hα-helixtrans-67.2-37.4177-73.7-30.4000112L331 N335 L360 L367 I368L331-N364 WeakPolarHBondContact CD1-OD1 3.31Å; N335-N364 PolarHBondContact OD1-ND2 2.92Å; N335-N364 PolarHBondContact OD1-OD1 2.91Å; L360-N364 VanDerWaalsContact O-CB 3.3Å; L360-N364 WeakPolarHBondContact O-CB 3.2Å; L360-N364 PolarHBondContact O-N 3.37Å; L360-N364 VanDerWaalsContact O-N 3.08Å; L360-N364 PolarHBondContact O-ND2 3.25Å; N364-L367 PolarHBondContact O-N 2.94Å; N364-I368 VanDerWaalsContact O-CG1 3.28Å; N364-I368 WeakPolarHBondContact O-CG1 3.47Å; N364-I368 PolarHBondContact O-N 3.37Å
365S92.5Very high89.4Confident63 Ų6355.1 Ų55.144%0.44131%0.308SS..Hα-helixtrans-64.6-46.6174.9-57.30000111.3G361 T362 Y363 L367 I368 I369G361-S365 VanDerWaalsContact O-CB 3.27Å; G361-S365 WeakPolarHBondContact O-CB 3.32Å; G361-S365 PolarHBondContact O-N 3.47Å; G361-S365 PolarHBondContact O-OG 3.24Å; T362-S365 PolarHBondContact O-N 3.01Å; Y363-S365 VanDerWaalsContact C-N 3.35Å; S365-L367 VanDerWaalsContact C-N 3.33Å; S365-L367 PolarHBondContact O-N 3.27Å; S365-I368 PolarHBondContact O-N 3.37Å; S365-I369 WeakPolarHBondContact O-CB 3.38Å; S365-I369 WeakPolarHBondContact O-CD1 3.2Å; S365-I369 WeakPolarHBondContact O-CG1 3.47Å; S365-I369 PolarHBondContact O-N 3.48Å
366L90.6Very high89.4Confident77 Ų7755.7 Ų55.740%0.40332%0.319SS..Hα-helixtrans-62.3-39175.6-72.5173.2000112.2T362 Y363 S370T362-L366 WeakPolarHBondContact O-CB 3.23Å; T362-L366 VanDerWaalsContact O-CG 3.23Å; T362-L366 WeakPolarHBondContact O-CG 3.12Å; T362-L366 PolarHBondContact O-N 3.37Å; Y363-L366 PolarHBondContact O-N 3.37Å; L366-S370 WeakPolarHBondContact O-CB 3.31Å; L366-S370 PolarHBondContact O-N 3.49Å; L366-S370 PolarHBondContact O-OG 3.31Å
367L91.7Very high89.3Confident20 Ų2060.7 Ų60.711%0.10534%0.341CS..Hα-helixtrans-61.5-49.7175.5-177.366.9000110.9F327 L331 V334 Y363 N364 S365 S370 W371F327-L367 HydrophobicContact CE2-CD2 4.32Å; F327-L367 HydrophobicContact CE2-CG 4.34Å; L331-L367 VanDerWaalsContact CA-CD2 3.49Å; L331-L367 HydrophobicContact CB-CD2 3.98Å; L331-L367 HydrophobicContact CD1-CD2 3.9Å; V334-L367 HydrophobicContact CB-CD2 4.32Å; V334-L367 HydrophobicContact CG2-CD1 4.22Å; V334-L367 HydrophobicContact CG2-CD2 4.25Å; Y363-L367 WeakPolarHBondContact O-CB 3.42Å; Y363-L367 PolarHBondContact O-N 2.91Å; N364-L367 PolarHBondContact O-N 2.94Å; S365-L367 VanDerWaalsContact C-N 3.33Å; S365-L367 PolarHBondContact O-N 3.27Å; L367-S370 PolarHBondContact O-N 3.38Å; L367-S370 PolarHBondContact O-OG 3.22Å; L367-W371 WeakPolarHBondContact O-CB 3.46Å; L367-W371 PolarHBondContact O-N 3.47Å
368I91.8Very high88.8Confident90 Ų9058.3 Ų58.346%0.46233%0.329SS..Hα-helixtrans-62.9-46.2179.4-66.6164.8000110.8F327 N364 S365 S370 W371 L372F327-I368 HydrophobicContact CZ-CG1 4.24Å; N364-I368 VanDerWaalsContact O-CG1 3.28Å; N364-I368 WeakPolarHBondContact O-CG1 3.47Å; N364-I368 PolarHBondContact O-N 3.37Å; S365-I368 PolarHBondContact O-N 3.37Å; I368-S370 VanDerWaalsContact C-N 3.34Å; I368-S370 PolarHBondContact O-N 3.03Å; I368-W371 PolarHBondContact O-N 3.03Å; I368-L372 PolarHBondContact O-N 2.95Å
369I92.3Very high88.5Confident109 Ų10965.4 Ų65.456%0.55936%0.361SS*.Hα-helixtrans-62.4-41.7179.2-68.3165.7000110.8S365 W371 P373S365-I369 WeakPolarHBondContact O-CB 3.38Å; S365-I369 WeakPolarHBondContact O-CD1 3.2Å; S365-I369 WeakPolarHBondContact O-CG1 3.47Å; S365-I369 PolarHBondContact O-N 3.48Å; I369-W371 VanDerWaalsContact C-N 3.34Å; I369-W371 PolarHBondContact O-N 3.46Å; I369-P373 WeakPolarHBondContact O-CD 3.49Å
370S90.1Very high88.4Confident60 Ų6068.6 Ų68.642%0.4238%0.377SS..Hα-helixtrans-71.3-26.5179.264.70000113.5L366 L367 I368 P373 V374L366-S370 WeakPolarHBondContact O-CB 3.31Å; L366-S370 PolarHBondContact O-N 3.49Å; L366-S370 PolarHBondContact O-OG 3.31Å; L367-S370 PolarHBondContact O-N 3.38Å; L367-S370 PolarHBondContact O-OG 3.22Å; I368-S370 VanDerWaalsContact C-N 3.34Å; I368-S370 PolarHBondContact O-N 3.03Å; S370-P373 WeakPolarHBondContact O-CD 3.43Å; S370-V374 WeakPolarHBondContact O-CG2 3.29Å
371W92Very high87.8Confident60 Ų6070.2 Ų70.223%0.22739%0.391CS..Hα-helixtrans-76.3-25.9179.1-137.2-143.4000113.8F327 L367 I368 I369 V374 L375F327-W371 HydrophobicContact CD2-CB 4.49Å; F327-W371 AromaticContact CD2-CD1 3.15Å; F327-W371 AromaticContact CD2-CG 3.94Å; F327-W371 HydrophobicContact CD2-CG 3.94Å; F327-W371 AromaticContact CD2-NE1 3.6Å; F327-W371 AromaticContact CE2-CD1 3.94Å; F327-W371 HydrophobicContact CE2-CG 4.47Å; F327-W371 AromaticContact CG-CD1 3.76Å; F327-W371 AromaticContact CG-NE1 3.9Å; L367-W371 WeakPolarHBondContact O-CB 3.46Å; L367-W371 PolarHBondContact O-N 3.47Å; I368-W371 PolarHBondContact O-N 3.03Å; I369-W371 VanDerWaalsContact C-N 3.34Å; I369-W371 PolarHBondContact O-N 3.46Å; W371-V374 HydrophobicContact CD2-CB 4.24Å; W371-V374 HydrophobicContact CD2-CG1 4.46Å; W371-V374 HydrophobicContact CE3-CB 3.49Å; W371-V374 VanDerWaalsContact CE3-CB 3.49Å; W371-V374 HydrophobicContact CE3-CG1 3.74Å; W371-V374 HydrophobicContact CE3-CG2 3.64Å; W371-V374 HydrophobicContact CH2-CB 4.37Å; W371-V374 HydrophobicContact CH2-CG1 3.65Å; W371-V374 HydrophobicContact CZ2-CG1 4.41Å; W371-V374 HydrophobicContact CZ3-CB 3.58Å; W371-V374 HydrophobicContact CZ3-CG1 3.29Å; W371-V374 HydrophobicContact CZ3-CG2 3.65Å; W371-V374 PolarHBondContact O-N 3.31Å; W371-L375 WeakPolarHBondContact O-CG 3.47Å; W371-L375 PolarHBondContact O-N 3.23Å
372L88.3Confident87.1Confident117 Ų11778.4 Ų78.461%0.61341%0.412SS*.Hα-helixtrans-60.6-50.7175.9-69.7172.5000112.7I368 V374 L375 G376I368-L372 PolarHBondContact O-N 2.95Å; L372-V374 VanDerWaalsContact C-N 3.34Å; L372-V374 PolarHBondContact O-N 3.26Å; L372-L375 PolarHBondContact O-N 2.7Å; L372-G376 PolarHBondContact O-N 3.25Å
373P88.1Confident86.7Confident66 Ų6680.6 Ų80.643%0.42942%0.422SS..Hα-helixtrans-59.2-41.2171-25.332.3000113.1I369 S370 L375 G376 F377I369-P373 WeakPolarHBondContact O-CD 3.49Å; S370-P373 WeakPolarHBondContact O-CD 3.43Å; P373-L375 VanDerWaalsContact C-N 3.32Å; P373-L375 PolarHBondContact O-N 3.5Å; P373-G376 CarbonylContact O-C 3.58Å; P373-G376 WeakPolarHBondContact O-CA 3.4Å; P373-G376 PolarHBondContact O-N 2.98Å; P373-F377 HydrophobicContact CB-CD2 4.19Å; P373-F377 HydrophobicContact CB-CE2 4.04Å; P373-F377 WeakPolarHBondContact O-CD2 3.49Å; P373-F377 PolarHBondContact O-N 3.11Å
374V86.4Confident86.1Confident47 Ų4782 Ų8229%0.28543%0.433SS..Hα-helixtrans-63.5-39.7-177.8176.50000111.6S370 W371 L372 G376 F377 L378S370-V374 WeakPolarHBondContact O-CG2 3.29Å; W371-V374 HydrophobicContact CD2-CB 4.24Å; W371-V374 HydrophobicContact CD2-CG1 4.46Å; W371-V374 HydrophobicContact CE3-CB 3.49Å; W371-V374 VanDerWaalsContact CE3-CB 3.49Å; W371-V374 HydrophobicContact CE3-CG1 3.74Å; W371-V374 HydrophobicContact CE3-CG2 3.64Å; W371-V374 HydrophobicContact CH2-CB 4.37Å; W371-V374 HydrophobicContact CH2-CG1 3.65Å; W371-V374 HydrophobicContact CZ2-CG1 4.41Å; W371-V374 HydrophobicContact CZ3-CB 3.58Å; W371-V374 HydrophobicContact CZ3-CG1 3.29Å; W371-V374 HydrophobicContact CZ3-CG2 3.65Å; W371-V374 PolarHBondContact O-N 3.31Å; L372-V374 VanDerWaalsContact C-N 3.34Å; L372-V374 PolarHBondContact O-N 3.26Å; V374-G376 VanDerWaalsContact C-N 3.3Å; V374-G376 PolarHBondContact O-N 3.22Å; V374-F377 PolarHBondContact O-N 3.41Å; V374-L378 HydrophobicContact CG1-CD1 4.07Å; V374-L378 HydrophobicContact CG1-CG 4.27Å; V374-L378 WeakPolarHBondContact O-CB 3.43Å; V374-L378 VanDerWaalsContact O-CG 3.31Å; V374-L378 WeakPolarHBondContact O-CG 3.43Å; V374-L378 PolarHBondContact O-N 3.27Å
375L85.4Confident85.6Confident68 Ų6884.6 Ų84.636%0.35645%0.454SS..Hα-helixtrans-60.1-40.9171.9-70.5173000112.1V323 W371 L372 P373 Q379V323-L375 HydrophobicContact CG1-CD2 3.43Å; V323-L375 VanDerWaalsContact CG1-CD2 3.43Å; W371-L375 WeakPolarHBondContact O-CG 3.47Å; W371-L375 PolarHBondContact O-N 3.23Å; L372-L375 PolarHBondContact O-N 2.7Å; P373-L375 VanDerWaalsContact C-N 3.32Å; P373-L375 PolarHBondContact O-N 3.5Å; L375-Q379 WeakPolarHBondContact O-CG 3.42Å; L375-Q379 PolarHBondContact O-N 3.16Å
376G83.6Confident85.2Confident37 Ų3788.3 Ų88.338%0.38146%0.463SS..Hα-helixtrans-65.1-41.8174.300000112.7L372 P373 V374 Q379L372-G376 PolarHBondContact O-N 3.25Å; P373-G376 CarbonylContact O-C 3.58Å; P373-G376 WeakPolarHBondContact O-CA 3.4Å; P373-G376 PolarHBondContact O-N 2.98Å; V374-G376 VanDerWaalsContact C-N 3.3Å; V374-G376 PolarHBondContact O-N 3.22Å; G376-Q379 PolarHBondContact O-N 3.18Å
377F83.9Confident84.9Confident114 Ų11489.4 Ų89.450%0.546%0.462SS..Hα-helixtrans-65.3-40.9177.1-78.7-65.8000112.1P373 V374 Q379 L380 L383P373-F377 HydrophobicContact CB-CD2 4.19Å; P373-F377 HydrophobicContact CB-CE2 4.04Å; P373-F377 WeakPolarHBondContact O-CD2 3.49Å; P373-F377 PolarHBondContact O-N 3.11Å; V374-F377 PolarHBondContact O-N 3.41Å; F377-Q379 PolarHBondContact O-N 3.18Å; F377-Q379 VanDerWaalsContact O-N 3.14Å; F377-L380 HydrophobicContact CD1-CD1 3.9Å; F377-L380 HydrophobicContact CE1-CD1 4.46Å; F377-L380 WeakPolarHBondContact O-CB 3.38Å; F377-L380 PolarHBondContact O-N 3.37Å; F377-L383 HydrophobicContact CB-CD1 3.96Å; F377-L383 HydrophobicContact CD1-CD1 4.37Å; F377-L383 WeakPolarHBondContact O-CD1 3.44Å
378L78.9Confident84.4Confident74 Ų7493.2 Ų93.239%0.38748%0.479SS..THydrogen-bonded Turntrans-63.9-15.5177-72.8171.9000113.6V374V374-L378 HydrophobicContact CG1-CD1 4.07Å; V374-L378 HydrophobicContact CG1-CG 4.27Å; V374-L378 WeakPolarHBondContact O-CB 3.43Å; V374-L378 VanDerWaalsContact O-CG 3.31Å; V374-L378 WeakPolarHBondContact O-CG 3.43Å; V374-L378 PolarHBondContact O-N 3.27Å
379Q81.9Confident84.2Confident160 Ų16096.3 Ų96.375%0.74849%0.486SS*.THydrogen-bonded Turntrans-88-9.2174.8-67.9174.4500113.2L375 G376 F377L375-Q379 WeakPolarHBondContact O-CG 3.42Å; L375-Q379 PolarHBondContact O-N 3.16Å; G376-Q379 PolarHBondContact O-N 3.18Å; F377-Q379 PolarHBondContact O-N 3.18Å; F377-Q379 VanDerWaalsContact O-N 3.14Å
380L82.9Confident84Confident81 Ų8193.2 Ų93.242%0.42447%0.474SS..SBendtrans-79.7129.1-179.5-65.5176.1000110.7F377 Y382 L383F377-L380 HydrophobicContact CD1-CD1 3.9Å; F377-L380 HydrophobicContact CE1-CD1 4.46Å; F377-L380 WeakPolarHBondContact O-CB 3.38Å; F377-L380 PolarHBondContact O-N 3.37Å; L380-Y382 PolarHBondContact O-N 2.9Å; L380-L383 PolarHBondContact O-N 3.5Å
381P79.5Confident83.7Confident89 Ų8991.1 Ų91.158%0.57846%0.458SS*.G310 helixtrans-63.8-21.3-175.125.5-35000113.6L383 D384P381-L383 VanDerWaalsContact C-N 3.26Å; P381-L383 PolarHBondContact O-N 3.33Å; P381-D384 PolarHBondContact O-N 2.98Å
382Y76.4Confident83.6Confident209 Ų20993.8 Ų93.882%0.8247%0.472SS*.G310 helixtrans-69.9-22.3177.4-63.1-74.5000113.5L380L380-Y382 PolarHBondContact O-N 2.9Å
383L79.7Confident83.6Confident67 Ų6793.2 Ų93.235%0.35147%0.468SS..G310 helixtrans-94.4-2.5-179.6-71.3174.6000113.2F377 L380 P381 S385 F386 Y387F377-L383 HydrophobicContact CB-CD1 3.96Å; F377-L383 HydrophobicContact CD1-CD1 4.37Å; F377-L383 WeakPolarHBondContact O-CD1 3.44Å; L380-L383 PolarHBondContact O-N 3.5Å; P381-L383 VanDerWaalsContact C-N 3.26Å; P381-L383 PolarHBondContact O-N 3.33Å; L383-S385 PolarHBondContact O-N 3.35Å; L383-F386 HydrophobicContact CD2-CB 4.38Å; L383-F386 PolarHBondContact O-N 3.05Å; L383-F386 VanDerWaalsContact O-N 3.08Å; L383-Y387 PolarHBondContact O-N 3.29Å
384D79.3Confident83.5Confident81 Ų8192.9 Ų92.943%0.43346%0.463SS..Hα-helixtrans-56.9-40.6176.1-71.3-20.2000111.3P381 F386 Y387 E388P381-D384 PolarHBondContact O-N 2.98Å; D384-F386 PolarHBondContact O-N 3.42Å; D384-Y387 PolarHBondContact O-N 3.4Å; D384-E388 WeakPolarHBondContact O-CB 2.96Å; D384-E388 WeakPolarHBondContact O-CG 3.41Å; D384-E388 PolarHBondContact O-N 3.17Å
385S83.4Confident83.7Confident88 Ų8891.6 Ų91.662%0.61545%0.453SS*.Hα-helixtrans-64.8-38.2177.3-174.50000113L383 Y389L383-S385 PolarHBondContact O-N 3.35Å; S385-Y389 WeakPolarHBondContact O-CB 3.06Å; S385-Y389 PolarHBondContact O-N 2.8Å
386F83.8Confident83.8Confident141 Ų14197 Ų9762%0.61847%0.47SS*.Hα-helixtrans-69.1-42.4175.9179.6-96.1000110.9L383 D384 Y389 S390L383-F386 HydrophobicContact CD2-CB 4.38Å; L383-F386 PolarHBondContact O-N 3.05Å; L383-F386 VanDerWaalsContact O-N 3.08Å; D384-F386 PolarHBondContact O-N 3.42Å; F386-Y389 PolarHBondContact O-N 2.92Å; F386-S390 VanDerWaalsContact O-CB 3.31Å; F386-S390 WeakPolarHBondContact O-CB 3.39Å; F386-S390 PolarHBondContact O-N 2.89Å; F386-S390 PolarHBondContact O-OG 3.49Å
387Y82.8Confident84Confident100 Ų10098.2 Ų98.239%0.39247%0.472SS..Hα-helixtrans-59.9-48.6175.2177.6-107.8000111.3L383 D384 Y389 S390 L391L383-Y387 PolarHBondContact O-N 3.29Å; D384-Y387 PolarHBondContact O-N 3.4Å; Y387-Y389 PolarHBondContact O-N 2.69Å; Y387-S390 PolarHBondContact O-N 2.88Å; Y387-S390 PolarHBondContact O-OG 3.29Å; Y387-L391 HydrophobicContact CD1-CD1 3.85Å; Y387-L391 HydrophobicContact CD1-CG 4.48Å; Y387-L391 HydrophobicContact CE1-CD1 3.24Å; Y387-L391 HydrophobicContact CE1-CG 4.09Å; Y387-L391 HydrophobicContact CE2-CD1 4.12Å; Y387-L391 HydrophobicContact CE2-CD2 4.44Å; Y387-L391 HydrophobicContact CE2-CG 4.1Å; Y387-L391 VanDerWaalsContact CZ-CD1 3.4Å; Y387-L391 WeakPolarHBondContact O-CB 3.35Å; Y387-L391 PolarHBondContact O-N 2.87Å
388E82.4Confident84.1Confident99 Ų9993.6 Ų93.646%0.46345%0.453SS..Hα-helixtrans-59.7-45176.5-75.7-175.5169.400112.4D384 S390 L391 K392D384-E388 WeakPolarHBondContact O-CB 2.96Å; D384-E388 WeakPolarHBondContact O-CG 3.41Å; D384-E388 PolarHBondContact O-N 3.17Å; E388-S390 PolarHBondContact O-N 3.3Å; E388-L391 PolarHBondContact O-N 3.19Å; E388-K392 WeakPolarHBondContact O-CB 3.44Å; E388-K392 PolarHBondContact O-N 3.45Å
389Y87.8Confident84.5Confident155 Ų15591.9 Ų91.961%0.60845%0.446SS*.Hα-helixtrans-63.7-41.8176.7-175.3-97.2000111.9S385 F386 Y387 K392 L393S385-Y389 WeakPolarHBondContact O-CB 3.06Å; S385-Y389 PolarHBondContact O-N 2.8Å; F386-Y389 PolarHBondContact O-N 2.92Å; Y387-Y389 PolarHBondContact O-N 2.69Å; Y389-K392 PolarHBondContact O-N 2.94Å; Y389-L393 HydrophobicContact CE1-CD1 4.45Å; Y389-L393 PolarHBondContact O-N 3.41Å
390S86.9Confident84.8Confident45 Ų4586.6 Ų86.632%0.31542%0.424SS..Hα-helixtrans-63.8-41.8177.277.40000111.8F386 Y387 E388 L393 L394F386-S390 VanDerWaalsContact O-CB 3.31Å; F386-S390 WeakPolarHBondContact O-CB 3.39Å; F386-S390 PolarHBondContact O-N 2.89Å; F386-S390 PolarHBondContact O-OG 3.49Å; Y387-S390 PolarHBondContact O-N 2.88Å; Y387-S390 PolarHBondContact O-OG 3.29Å; E388-S390 PolarHBondContact O-N 3.3Å; S390-L393 PolarHBondContact O-N 3.46Å; S390-L394 VanDerWaalsContact O-CB 3.29Å; S390-L394 WeakPolarHBondContact O-CB 3.26Å; S390-L394 PolarHBondContact O-N 2.9Å
391L85.3Confident85Confident15 Ų1586.2 Ų86.28%0.07943%0.425CS..Hα-helixtrans-63.9-41.7174.9-81.5179.2000111.6Y387 E388 L393 L394 R395Y387-L391 HydrophobicContact CD1-CD1 3.85Å; Y387-L391 HydrophobicContact CD1-CG 4.48Å; Y387-L391 HydrophobicContact CE1-CD1 3.24Å; Y387-L391 HydrophobicContact CE1-CG 4.09Å; Y387-L391 HydrophobicContact CE2-CD1 4.12Å; Y387-L391 HydrophobicContact CE2-CD2 4.44Å; Y387-L391 HydrophobicContact CE2-CG 4.1Å; Y387-L391 VanDerWaalsContact CZ-CD1 3.4Å; Y387-L391 WeakPolarHBondContact O-CB 3.35Å; Y387-L391 PolarHBondContact O-N 2.87Å; E388-L391 PolarHBondContact O-N 3.19Å; L391-L393 PolarHBondContact O-N 3.48Å; L391-L394 PolarHBondContact O-N 2.84Å; L391-R395 WeakPolarHBondContact O-CB 3.2Å; L391-R395 VanDerWaalsContact O-CG 3.25Å; L391-R395 WeakPolarHBondContact O-CG 3.31Å; L391-R395 PolarHBondContact O-N 3.18Å
392K88Confident85.5Confident117 Ų11787 Ų8751%0.50942%0.424SS..Hα-helixtrans-60.1-45.8175.6172.7161.9-173.7-1780111.6E294 E388 Y389 R395 Y396E294-K392 HydrophobicContact CG-CD 4.07Å; E294-K392 HydrophobicContact CG-CG 3.95Å; E388-K392 WeakPolarHBondContact O-CB 3.44Å; E388-K392 PolarHBondContact O-N 3.45Å; Y389-K392 PolarHBondContact O-N 2.94Å; K392-R395 PolarHBondContact O-N 3.02Å; K392-Y396 PolarHBondContact O-N 3.4Å
393L88.8Confident86Confident104 Ų10477.6 Ų77.655%0.54539%0.389SS..Hα-helixtrans-64.5-41.7176.6-172.9142.8000111.6Y389 S390 L391 Y396 S397Y389-L393 HydrophobicContact CE1-CD1 4.45Å; Y389-L393 PolarHBondContact O-N 3.41Å; S390-L393 PolarHBondContact O-N 3.46Å; L391-L393 PolarHBondContact O-N 3.48Å; L393-Y396 PolarHBondContact O-N 3.07Å; L393-S397 WeakPolarHBondContact O-CB 3.41Å; L393-S397 PolarHBondContact O-N 3.44Å
394L87.5Confident86.4Confident59 Ų5974.4 Ų74.431%0.30937%0.373SS..Hα-helixtrans-62.3-44.9176.8-172.873.3000111.5P321 S390 L391 S397 N398P321-L394 VanDerWaalsContact CD-CD2 3.49Å; P321-L394 HydrophobicContact CG-CD2 3.61Å; S390-L394 VanDerWaalsContact O-CB 3.29Å; S390-L394 WeakPolarHBondContact O-CB 3.26Å; S390-L394 PolarHBondContact O-N 2.9Å; L391-L394 PolarHBondContact O-N 2.84Å; L394-S397 PolarHBondContact O-N 3.33Å; L394-N398 WeakPolarHBondContact CG-ND2 3.37Å; L394-N398 WeakPolarHBondContact O-CB 3.35Å; L394-N398 PolarHBondContact O-N 3.08Å; L394-N398 PolarHBondContact O-ND2 3Å
395R89Confident86.8Confident21 Ų2174.9 Ų74.98%0.07937%0.368CS..Hα-helixtrans-61.9-47.8177.2-73.8168.6-177168-0111.3E294 L319 L391 K392 S397 N398 T399E294-R395 WeakPolarHBondContact OE1-CD 3.44Å; E294-R395 IonicContact OE1-CZ 3.11Å; E294-R395 IonicContact OE1-NH1 2.76Å; E294-R395 PolarHBondContact OE1-NH1 3.05Å; E294-R395 IonicContact OE2-NH1 2.71Å; L319-R395 HydrophobicContact CD2-CB 4.45Å; L319-R395 HydrophobicContact CD2-CG 4.33Å; L391-R395 WeakPolarHBondContact O-CB 3.2Å; L391-R395 VanDerWaalsContact O-CG 3.25Å; L391-R395 WeakPolarHBondContact O-CG 3.31Å; L391-R395 PolarHBondContact O-N 3.18Å; K392-R395 PolarHBondContact O-N 3.02Å; R395-S397 PolarHBondContact O-N 3.25Å; R395-N398 PolarHBondContact O-N 2.91Å; R395-T399 WeakPolarHBondContact O-CG2 3.39Å; R395-T399 PolarHBondContact O-N 3.44Å; R395-T399 VanDerWaalsContact O-N 3.12Å; R395-T399 PolarHBondContact O-OG1 2.8Å
396Y88.4Confident87Confident182 Ų18274.2 Ų74.271%0.71436%0.36SS*.Hα-helixtrans-58.7-48177.1-175.1-100.2000111.5K392 L393 N398 T399K392-Y396 PolarHBondContact O-N 3.4Å; L393-Y396 PolarHBondContact O-N 3.07Å; Y396-N398 PolarHBondContact O-N 3.29Å; Y396-T399 PolarHBondContact O-N 3.05Å; Y396-T399 PolarHBondContact O-OG1 2.85Å
397S88.2Confident87.3Confident62 Ų6268.6 Ų68.643%0.43434%0.335SS..Hα-helixtrans-59.2-44.3177.5-177.30000112.3L393 L394 R395 T399 T400 A403L393-S397 WeakPolarHBondContact O-CB 3.41Å; L393-S397 PolarHBondContact O-N 3.44Å; L394-S397 PolarHBondContact O-N 3.33Å; R395-S397 PolarHBondContact O-N 3.25Å; S397-T399 VanDerWaalsContact C-N 3.32Å; S397-T399 PolarHBondContact O-N 2.88Å; S397-T400 WeakPolarHBondContact O-CB 3.23Å; S397-T400 WeakPolarHBondContact O-CG2 3.38Å; S397-T400 PolarHBondContact O-N 2.87Å; S397-T400 PolarHBondContact O-OG1 3.39Å; S397-A403 WeakPolarHBondContact O-CB 3.46Å
398N86.1Confident87.3Confident17 Ų1764.9 Ų64.99%0.09133%0.325CS..Hα-helixtrans-68-26.8-178.4-85.9-68.9000114.6S318 L319 L394 R395 Y396 T400 A403S318-N398 WeakPolarHBondContact CB-OD1 3.46Å; S318-N398 PolarHBondContact O-ND2 3.3Å; S318-N398 PolarHBondContact OG-OD1 3.05Å; L319-N398 HydrophobicContact CD2-CB 3.83Å; L319-N398 HydrophobicContact CG-CB 4.37Å; L394-N398 WeakPolarHBondContact CG-ND2 3.37Å; L394-N398 WeakPolarHBondContact O-CB 3.35Å; L394-N398 PolarHBondContact O-N 3.08Å; L394-N398 PolarHBondContact O-ND2 3Å; R395-N398 PolarHBondContact O-N 2.91Å; Y396-N398 PolarHBondContact O-N 3.29Å; N398-T400 PolarHBondContact O-N 2.84Å; N398-A403 WeakPolarHBondContact O-CB 3.32Å
399T86.4Confident87.5Confident38 Ų3860.7 Ų60.723%0.23331%0.306CS..THydrogen-bonded Turntrans-77-3.8176.657.40000113.8Y297 L319 R395 Y396 S397Y297-T399 HydrophobicContact CD2-CG2 3.74Å; Y297-T399 HydrophobicContact CE2-CG2 4.16Å; Y297-T399 WeakPolarHBondContact CE2-O 3.49Å; Y297-T399 HydrophobicContact CG-CG2 3.94Å; L319-T399 HydrophobicContact CD2-CG2 4.42Å; R395-T399 WeakPolarHBondContact O-CG2 3.39Å; R395-T399 PolarHBondContact O-N 3.44Å; R395-T399 VanDerWaalsContact O-N 3.12Å; R395-T399 PolarHBondContact O-OG1 2.8Å; Y396-T399 PolarHBondContact O-N 3.05Å; Y396-T399 PolarHBondContact O-OG1 2.85Å; S397-T399 VanDerWaalsContact C-N 3.32Å; S397-T399 PolarHBondContact O-N 2.88Å
400T89.1Confident87.4Confident49 Ų4959.2 Ų59.230%0.30130%0.299SS..SBendtrans-77.8156.3178.566.80000112.8S397 N398 L402 A403 S404S397-T400 WeakPolarHBondContact O-CB 3.23Å; S397-T400 WeakPolarHBondContact O-CG2 3.38Å; S397-T400 PolarHBondContact O-N 2.87Å; S397-T400 PolarHBondContact O-OG1 3.39Å; N398-T400 PolarHBondContact O-N 2.84Å; T400-L402 VanDerWaalsContact C-N 3.28Å; T400-L402 PolarHBondContact O-N 3.37Å; T400-A403 PolarHBondContact O-N 3.23Å; T400-A403 PolarHBondContact OG1-N 2.86Å; T400-S404 PolarHBondContact O-N 2.71Å
401T87.1Confident87.2Confident73 Ų7358.9 Ų58.945%0.44829%0.293SS..Hα-helixtrans-57.9-39.4173.6470000112.6H302 A403 S404 W405H302-T401 WeakPolarHBondContact ND1-CG2 3.39Å; T401-A403 PolarHBondContact O-N 3.49Å; T401-S404 VanDerWaalsContact O-CB 3.3Å; T401-S404 WeakPolarHBondContact O-CB 3.41Å; T401-S404 PolarHBondContact O-N 3.39Å; T401-S404 VanDerWaalsContact O-N 3.16Å; T401-W405 PolarHBondContact O-N 2.98Å; T401-W405 VanDerWaalsContact O-N 3.11Å
402L88.3Confident87.1Confident105 Ų10562 Ų6255%0.5531%0.306SS..Hα-helixtrans-62.8-42.6179.5-176.3144.1000111.4T400 S404 W405 V406T400-L402 VanDerWaalsContact C-N 3.28Å; T400-L402 PolarHBondContact O-N 3.37Å; L402-S404 VanDerWaalsContact C-N 3.28Å; L402-S404 PolarHBondContact O-N 3.31Å; L402-W405 PolarHBondContact O-N 3.41Å; L402-V406 HydrophobicContact CD2-CG2 4.1Å; L402-V406 WeakPolarHBondContact O-CG2 3.45Å; L402-V406 PolarHBondContact O-N 3.5Å
403A87.9Confident86.9Confident11 Ų1157.1 Ų57.19%0.09129%0.285CS..Hα-helixtrans-64.2-34.2175.900000112.2S397 N398 T400 T401 R407S397-A403 WeakPolarHBondContact O-CB 3.46Å; N398-A403 WeakPolarHBondContact O-CB 3.32Å; T400-A403 PolarHBondContact O-N 3.23Å; T400-A403 PolarHBondContact OG1-N 2.86Å; T401-A403 PolarHBondContact O-N 3.49Å; A403-R407 WeakPolarHBondContact O-CB 3.42Å; A403-R407 WeakPolarHBondContact O-CG 3.19Å; A403-R407 PolarHBondContact O-N 3.45Å; A403-R407 PolarHBondContact O-NE 3.46Å
404S87.8Confident86.6Confident0 Ų055 Ų550%028%0.279CS..Hα-helixtrans-61.2-45.2172.6-170.10000112.1T303 E305 T400 T401 L402 R407 A408T303-S404 PolarHBondContact O-OG 2.92Å; E305-S404 VanDerWaalsContact CG-OG 3.25Å; E305-S404 WeakPolarHBondContact CG-OG 3.35Å; T400-S404 PolarHBondContact O-N 2.71Å; T401-S404 VanDerWaalsContact O-CB 3.3Å; T401-S404 WeakPolarHBondContact O-CB 3.41Å; T401-S404 PolarHBondContact O-N 3.39Å; T401-S404 VanDerWaalsContact O-N 3.16Å; L402-S404 VanDerWaalsContact C-N 3.28Å; L402-S404 PolarHBondContact O-N 3.31Å; S404-R407 PolarHBondContact O-N 2.86Å; S404-A408 PolarHBondContact O-N 3.34Å
405W87.3Confident86.2Confident91 Ų9154.3 Ų54.335%0.34528%0.279SS..Hα-helixtrans-64.4-45.6177-63.6-13.5000112.5F16 T303 T401 L402 R407 A408 D409F16-W405 HydrophobicContact CE2-CB 4.1Å; F16-W405 HydrophobicContact CE2-CE3 4.45Å; F16-W405 AromaticContact CZ-CE3 3.97Å; F16-W405 HydrophobicContact CZ-CE3 3.97Å; T303-W405 PolarHBondContact OG1-NE1 3.23Å; T401-W405 PolarHBondContact O-N 2.98Å; T401-W405 VanDerWaalsContact O-N 3.11Å; L402-W405 PolarHBondContact O-N 3.41Å; W405-R407 VanDerWaalsContact C-N 3.27Å; W405-R407 PolarHBondContact O-N 3.11Å; W405-A408 PolarHBondContact O-N 3.04Å; W405-A408 VanDerWaalsContact O-N 3.11Å; W405-D409 WeakPolarHBondContact O-CB 3.31Å; W405-D409 PolarHBondContact O-N 3.44Å
406V88.9Confident86Confident74 Ų7455.4 Ų55.445%0.44829%0.285SS..Hα-helixtrans-59.2-40.5177.3172.70000111.1L402 W410L402-V406 HydrophobicContact CD2-CG2 4.1Å; L402-V406 WeakPolarHBondContact O-CG2 3.45Å; L402-V406 PolarHBondContact O-N 3.5Å; V406-W410 VanDerWaalsContact O-CB 3.3Å; V406-W410 WeakPolarHBondContact O-CB 3.32Å; V406-W410 PolarHBondContact O-N 3.15Å
407R88.4Confident85.9Confident24 Ų2451.2 Ų51.29%0.09128%0.28CS..Hα-helixtrans-63.8-44.7174.4-76.8-177.2-73.4122.3-10.7112E305 F315 A403 S404 W405 W410 M411E305-R407 IonicContact OE1-CZ 2.77Å; E305-R407 IonicContact OE1-NH1 3.7Å; E305-R407 PolarHBondContact OE1-NH1 2.9Å; E305-R407 IonicContact OE1-NH2 3.5Å; E305-R407 PolarHBondContact OE1-NH2 2.86Å; F315-R407 VanDerWaalsContact CD2-CZ 3.42Å; A403-R407 WeakPolarHBondContact O-CB 3.42Å; A403-R407 WeakPolarHBondContact O-CG 3.19Å; A403-R407 PolarHBondContact O-N 3.45Å; A403-R407 PolarHBondContact O-NE 3.46Å; S404-R407 PolarHBondContact O-N 2.86Å; W405-R407 VanDerWaalsContact C-N 3.27Å; W405-R407 PolarHBondContact O-N 3.11Å; R407-W410 PolarHBondContact O-N 2.99Å; R407-M411 WeakPolarHBondContact O-CB 3.49Å; R407-M411 WeakPolarHBondContact O-CG 3.42Å; R407-M411 PolarHBondContact O-N 3.17Å
408A83.1Confident85.9Confident22 Ų2251.9 Ų51.918%0.18229%0.289CS..Hα-helixtrans-63.1-43.7178.300000111.9S404 W405 M411 F412S404-A408 PolarHBondContact O-N 3.34Å; W405-A408 PolarHBondContact O-N 3.04Å; W405-A408 VanDerWaalsContact O-N 3.11Å; A408-M411 WeakPolarHBondContact O-CB 3.49Å; A408-M411 PolarHBondContact O-N 2.95Å; A408-F412 PolarHBondContact O-N 2.88Å
409D86.6Confident86Confident11 Ų1155 Ų556%0.05931%0.305CS..Hα-helixtrans-64.1-44176.5-70.7-20.7000111.3F16 A19 R20 W405 M411 F412 Y413F16-D409 WeakPolarHBondContact CD2-OD2 3.21Å; A19-D409 HydrophobicContact CB-CB 4.45Å; A19-D409 VanDerWaalsContact CB-OD1 3.29Å; A19-D409 WeakPolarHBondContact CB-OD1 3.36Å; R20-D409 IonicContact CZ-OD1 2.92Å; R20-D409 IonicContact NE-OD1 3.62Å; R20-D409 IonicContact NE-OD2 2.68Å; R20-D409 IonicContact NH2-OD1 3.73Å; R20-D409 PolarHBondContact NH2-OD1 3.43Å; R20-D409 IonicContact NH2-OD2 2.76Å; W405-D409 WeakPolarHBondContact O-CB 3.31Å; W405-D409 PolarHBondContact O-N 3.44Å; D409-M411 VanDerWaalsContact C-N 3.3Å; D409-M411 PolarHBondContact O-N 2.84Å; D409-F412 WeakPolarHBondContact O-CB 3.21Å; D409-F412 PolarHBondContact O-N 2.93Å; D409-F412 VanDerWaalsContact O-N 3.16Å; D409-Y413 HydrophobicContact CB-CD2 4.48Å; D409-Y413 HydrophobicContact CB-CE2 4.45Å; D409-Y413 WeakPolarHBondContact O-CD2 3.42Å; D409-Y413 PolarHBondContact O-N 3.5Å
410W86.4Confident86.1Confident124 Ų12455.2 Ų55.247%0.4730%0.303SS..Hα-helixtrans-58.8-43.2175.4179.8-101.5000111.9V406 R407 S414V406-W410 VanDerWaalsContact O-CB 3.3Å; V406-W410 WeakPolarHBondContact O-CB 3.32Å; V406-W410 PolarHBondContact O-N 3.15Å; R407-W410 PolarHBondContact O-N 2.99Å; W410-S414 WeakPolarHBondContact O-CB 3.47Å; W410-S414 PolarHBondContact O-N 3.16Å; W410-S414 PolarHBondContact O-OG 2.81Å
411M82.1Confident86.1Confident38 Ų3857.7 Ų57.719%0.18731%0.314CS..Hα-helixtrans-63.3-42.1175.4-71.6-74.5-63.200111.7Q310 R407 A408 D409 S414 S415Q310-M411 HydrophobicContact CB-CE 3.79Å; Q310-M411 HydrophobicContact CG-CE 3.39Å; Q310-M411 HydrophobicContact CG-SD 4.05Å; R407-M411 WeakPolarHBondContact O-CB 3.49Å; R407-M411 WeakPolarHBondContact O-CG 3.42Å; R407-M411 PolarHBondContact O-N 3.17Å; A408-M411 WeakPolarHBondContact O-CB 3.49Å; A408-M411 PolarHBondContact O-N 2.95Å; D409-M411 VanDerWaalsContact C-N 3.3Å; D409-M411 PolarHBondContact O-N 2.84Å; M411-S414 WeakPolarHBondContact CA-OG 3.18Å; M411-S414 PolarHBondContact O-OG 2.69Å; M411-S415 WeakPolarHBondContact O-CB 3.41Å; M411-S415 PolarHBondContact O-N 3.33Å; M411-S415 VanDerWaalsContact O-N 3.13Å; M411-S415 PolarHBondContact O-OG 3.08Å
412F83Confident86.3Confident80 Ų8057.3 Ų57.335%0.35131%0.314SS..Hα-helixtrans-61-50.9176.6176.3-101.4000112.2A408 D409 S415 H416A408-F412 PolarHBondContact O-N 2.88Å; D409-F412 WeakPolarHBondContact O-CB 3.21Å; D409-F412 PolarHBondContact O-N 2.93Å; D409-F412 VanDerWaalsContact O-N 3.16Å; F412-S415 PolarHBondContact O-N 2.69Å; F412-S415 PolarHBondContact O-OG 3.06Å; F412-H416 AromaticContact CE2-ND1 3.97Å; F412-H416 PolarHBondContact O-N 2.63Å; F412-H416 PolarHBondContact O-ND1 3.24Å
413Y85Confident86.4Confident15 Ų1554 Ų546%0.05930%0.299CS..Hα-helixtrans-70.5-39.5-178.9-73.3-64.5000113.2L15 A19 D409 S415 H416L15-Y413 HydrophobicContact CB-CE2 4.07Å; L15-Y413 HydrophobicContact CD2-CE1 3.92Å; L15-Y413 HydrophobicContact CD2-CE2 4.33Å; L15-Y413 PolarHBondContact O-OH 2.04Å; A19-Y413 HydrophobicContact CB-CE2 4.11Å; D409-Y413 HydrophobicContact CB-CD2 4.48Å; D409-Y413 HydrophobicContact CB-CE2 4.45Å; D409-Y413 WeakPolarHBondContact O-CD2 3.42Å; D409-Y413 PolarHBondContact O-N 3.5Å; Y413-S415 PolarHBondContact O-N 3.34Å; Y413-H416 CarbonylContact O-C 3.58Å; Y413-H416 PolarHBondContact O-N 3.01Å
414S82.9Confident86.6Confident60 Ų6053.8 Ų53.842%0.4230%0.296SS..Hα-helixtrans-62.6-30.7175.359.10000112.2W410 M411 H416W410-S414 WeakPolarHBondContact O-CB 3.47Å; W410-S414 PolarHBondContact O-N 3.16Å; W410-S414 PolarHBondContact O-OG 2.81Å; M411-S414 WeakPolarHBondContact CA-OG 3.18Å; M411-S414 PolarHBondContact O-OG 2.69Å; S414-H416 VanDerWaalsContact C-N 3.28Å; S414-H416 PolarHBondContact O-N 3.41Å
415S78.7Confident86.8Confident43 Ų4357.4 Ų57.430%0.30131%0.314SS..THydrogen-bonded Turntrans-76.6-12.517585.90000113.8K88 M411 F412 Y413K88-S415 PolarHBondContact NZ-O 3.23Å; K88-S415 PolarHBondContact NZ-OG 3.4Å; M411-S415 WeakPolarHBondContact O-CB 3.41Å; M411-S415 PolarHBondContact O-N 3.33Å; M411-S415 VanDerWaalsContact O-N 3.13Å; M411-S415 PolarHBondContact O-OG 3.08Å; F412-S415 PolarHBondContact O-N 2.69Å; F412-S415 PolarHBondContact O-OG 3.06Å; Y413-S415 PolarHBondContact O-N 3.34Å
416H83.8Confident86.9Confident44 Ų4454.6 Ų54.620%0.20431%0.314CS..  trans-129.772.4179.4-61.5101.9000111K88 F412 Y413 S414 A418 L419 F420K88-H416 PolarHBondContact NZ-CE1 2.84Å; K88-H416 PolarHBondContact NZ-NE2 2.63Å; F412-H416 AromaticContact CE2-ND1 3.97Å; F412-H416 PolarHBondContact O-N 2.63Å; F412-H416 PolarHBondContact O-ND1 3.24Å; Y413-H416 CarbonylContact O-C 3.58Å; Y413-H416 PolarHBondContact O-N 3.01Å; S414-H416 VanDerWaalsContact C-N 3.28Å; S414-H416 PolarHBondContact O-N 3.41Å; H416-A418 PolarHBondContact O-N 3.06Å; H416-A418 VanDerWaalsContact O-N 3.14Å; H416-L419 HydrophobicContact CB-CB 4.11Å; H416-L419 HydrophobicContact CB-CD1 3.84Å; H416-L419 HydrophobicContact CB-CG 4.14Å; H416-L419 PolarHBondContact O-N 3.46Å; H416-F420 PolarHBondContact O-N 3.18Å
417P86.8Confident87.1Confident94 Ų9452 Ų5261%0.6130%0.297SS*.Hα-helixtrans-59.9-31.3-174.723.3-34.2000113.2F420 L421P417-F420 PolarHBondContact O-N 3Å; P417-L421 WeakPolarHBondContact O-CB 3.27Å; P417-L421 PolarHBondContact O-N 3.23Å
418A87.5Confident87.1Confident77 Ų7750.9 Ų50.964%0.63629%0.293SS*.Hα-helixtrans-66-38.5177.200000113H416 S422H416-A418 PolarHBondContact O-N 3.06Å; H416-A418 VanDerWaalsContact O-N 3.14Å; A418-S422 WeakPolarHBondContact O-CB 3.32Å; A418-S422 PolarHBondContact O-N 3.21Å; A418-S422 PolarHBondContact O-OG 3Å
419L87.9Confident87.4Confident82 Ų8254.9 Ų54.943%0.42931%0.31SS..Hα-helixtrans-70-40.6176.3-70.4178.3000111.2H416 S422 T423H416-L419 HydrophobicContact CB-CB 4.11Å; H416-L419 HydrophobicContact CB-CD1 3.84Å; H416-L419 HydrophobicContact CB-CG 4.14Å; H416-L419 PolarHBondContact O-N 3.46Å; L419-S422 PolarHBondContact O-N 2.9Å; L419-S422 PolarHBondContact O-OG 2.9Å; L419-S422 VanDerWaalsContact O-OG 3.07Å; L419-T423 WeakPolarHBondContact O-CB 3.44Å; L419-T423 VanDerWaalsContact O-CG2 3.29Å; L419-T423 WeakPolarHBondContact O-CG2 3.2Å; L419-T423 PolarHBondContact O-N 3.03Å; L419-T423 PolarHBondContact O-OG1 3.29Å
420F88.8Confident87.5Confident43 Ų4359 Ų5919%0.18933%0.332CS..Hα-helixtrans-61.3-47174.4-177.4-100000111.1Y11 L15 L336 H416 P417 S422 T423 Y424Y11-F420 AromaticContact CE1-CE2 3.92Å; Y11-F420 HydrophobicContact CE1-CE2 3.92Å; Y11-F420 HydrophobicContact CE1-CZ 4.13Å; Y11-F420 PolarHBondContact OH-O 3.45Å; L15-F420 HydrophobicContact CD1-CD2 4.08Å; L15-F420 HydrophobicContact CD1-CE2 3.8Å; L336-F420 HydrophobicContact CD1-CZ 4.35Å; L336-F420 HydrophobicContact CD2-CE1 4.33Å; H416-F420 PolarHBondContact O-N 3.18Å; P417-F420 PolarHBondContact O-N 3Å; F420-S422 PolarHBondContact O-N 3.28Å; F420-T423 PolarHBondContact O-OG1 2.86Å; F420-Y424 VanDerWaalsContact O-CB 3.3Å; F420-Y424 WeakPolarHBondContact O-CB 3.32Å; F420-Y424 PolarHBondContact O-N 3.06Å
421L89.1Confident87.5Confident100 Ų10053.6 Ų53.652%0.52431%0.312SS..Hα-helixtrans-64.5-42.7178.5-171.668.6000112.2P417 Y424 L425P417-L421 WeakPolarHBondContact O-CB 3.27Å; P417-L421 PolarHBondContact O-N 3.23Å; L421-Y424 PolarHBondContact O-N 3.22Å; L421-L425 HydrophobicContact CG-CD1 4.17Å; L421-L425 HydrophobicContact CG-CG 4.45Å; L421-L425 WeakPolarHBondContact O-CB 3.29Å; L421-L425 VanDerWaalsContact O-CG 3.26Å; L421-L425 WeakPolarHBondContact O-CG 3.39Å; L421-L425 PolarHBondContact O-N 3.2Å
422S91Very high87.7Confident65 Ų6552.6 Ų52.646%0.45531%0.307SS..Hα-helixtrans-66.3-42.5-178.769.60000112.3A418 L419 F420 Y424 L425 G426A418-S422 WeakPolarHBondContact O-CB 3.32Å; A418-S422 PolarHBondContact O-N 3.21Å; A418-S422 PolarHBondContact O-OG 3Å; L419-S422 PolarHBondContact O-N 2.9Å; L419-S422 PolarHBondContact O-OG 2.9Å; L419-S422 VanDerWaalsContact O-OG 3.07Å; F420-S422 PolarHBondContact O-N 3.28Å; S422-Y424 VanDerWaalsContact C-N 3.35Å; S422-L425 PolarHBondContact O-N 3Å; S422-G426 PolarHBondContact O-N 3.23Å
423T91.8Very high87.8Confident36 Ų3655 Ų5522%0.22132%0.315CS..Hα-helixtrans-65.7-38.4175.954.30000111.7Y11 L15 L419 F420 G426 H427Y11-T423 PolarHBondContact OH-OG1 3.3Å; Y11-T423 VanDerWaalsContact OH-OG1 3.05Å; L15-T423 HydrophobicContact CD2-CG2 4.36Å; L419-T423 WeakPolarHBondContact O-CB 3.44Å; L419-T423 VanDerWaalsContact O-CG2 3.29Å; L419-T423 WeakPolarHBondContact O-CG2 3.2Å; L419-T423 PolarHBondContact O-N 3.03Å; L419-T423 PolarHBondContact O-OG1 3.29Å; F420-T423 PolarHBondContact O-OG1 2.86Å; T423-G426 PolarHBondContact O-N 2.93Å; T423-H427 WeakPolarHBondContact O-CB 3.47Å; T423-H427 PolarHBondContact O-N 2.86Å
424Y91.8Very high87.8Confident7 Ų760.5 Ų60.53%0.02734%0.339CS..Hα-helixtrans-64.7-46.6175.9-175.1-100.7000112.3Y11 L336 W339 M340 F420 L421 S422 G426 H427 G428Y11-Y424 HydrophobicContact CD1-CD2 4.07Å; Y11-Y424 AromaticContact CE1-CD2 3.69Å; Y11-Y424 HydrophobicContact CE1-CD2 3.69Å; Y11-Y424 HydrophobicContact CE2-CD2 4.32Å; Y11-Y424 AromaticContact CZ-CD2 3.83Å; Y11-Y424 WeakPolarHBondContact OH-CB 3.48Å; Y11-Y424 PolarHBondContact OH-N 3.4Å; L336-Y424 HydrophobicContact CD2-CD2 4.49Å; L336-Y424 HydrophobicContact CD2-CE2 4.02Å; L336-Y424 PolarHBondContact O-OH 3.29Å; W339-Y424 HydrophobicContact CB-CE1 4.12Å; M340-Y424 HydrophobicContact CE-CD2 3.85Å; M340-Y424 HydrophobicContact CE-CE1 3.89Å; M340-Y424 HydrophobicContact CE-CE2 3.13Å; M340-Y424 HydrophobicContact CE-CG 4.49Å; M340-Y424 WeakPolarHBondContact CE-OH 3.41Å; M340-Y424 WeakPolarHBondContact CG-OH 3.47Å; M340-Y424 PolarHBondContact N-OH 2.96Å; F420-Y424 VanDerWaalsContact O-CB 3.3Å; F420-Y424 WeakPolarHBondContact O-CB 3.32Å; F420-Y424 PolarHBondContact O-N 3.06Å; L421-Y424 PolarHBondContact O-N 3.22Å; S422-Y424 VanDerWaalsContact C-N 3.35Å; Y424-G426 VanDerWaalsContact C-N 3.34Å; Y424-G426 PolarHBondContact O-N 3.17Å; Y424-H427 PolarHBondContact O-N 2.9Å; Y424-G428 PolarHBondContact O-N 3.39Å
425L91.3Very high87.7Confident76 Ų7659.3 Ų59.340%0.39833%0.327SS..Hα-helixtrans-61.8-42.4174.8-69.9175.2000111.2F343 L421 S422 G428 L429F343-L425 HydrophobicContact CZ-CD2 3.82Å; L421-L425 HydrophobicContact CG-CD1 4.17Å; L421-L425 HydrophobicContact CG-CG 4.45Å; L421-L425 WeakPolarHBondContact O-CB 3.29Å; L421-L425 VanDerWaalsContact O-CG 3.26Å; L421-L425 WeakPolarHBondContact O-CG 3.39Å; L421-L425 PolarHBondContact O-N 3.2Å; S422-L425 PolarHBondContact O-N 3Å; L425-G428 PolarHBondContact O-N 2.92Å; L425-L429 WeakPolarHBondContact O-CB 3.5Å; L425-L429 VanDerWaalsContact O-CG 3.31Å; L425-L429 WeakPolarHBondContact O-CG 3.4Å; L425-L429 PolarHBondContact O-N 2.68Å
426G90.9Very high87.7Confident32 Ų3262.8 Ų62.833%0.3334%0.337SS..Hα-helixtrans-59.6-46175.200000112.5S422 T423 Y424 L429 L430S422-G426 PolarHBondContact O-N 3.23Å; T423-G426 PolarHBondContact O-N 2.93Å; Y424-G426 VanDerWaalsContact C-N 3.34Å; Y424-G426 PolarHBondContact O-N 3.17Å; G426-L429 PolarHBondContact O-N 3.28Å; G426-L430 WeakPolarHBondContact O-CG 3.33Å; G426-L430 PolarHBondContact O-N 3.44Å
427H91.3Very high87.6Confident20 Ų2066.6 Ų66.69%0.09335%0.353CS..Hα-helixtrans-61.3-44.6174.5-177.869.5000112.2F7 Y11 T423 Y424 L429 L430 I431F7-H427 PolarHBondContact O-NE2 3.43Å; Y11-H427 HydrophobicContact CD2-CB 3.7Å; Y11-H427 AromaticContact CD2-CD2 3.81Å; Y11-H427 AromaticContact CD2-CG 3.72Å; Y11-H427 HydrophobicContact CE2-CB 4.15Å; Y11-H427 AromaticContact CG-CD2 3.99Å; T423-H427 WeakPolarHBondContact O-CB 3.47Å; T423-H427 PolarHBondContact O-N 2.86Å; Y424-H427 PolarHBondContact O-N 2.9Å; H427-L429 PolarHBondContact O-N 2.93Å; H427-L430 WeakPolarHBondContact O-CB 3.23Å; H427-L430 PolarHBondContact O-N 3.3Å; H427-I431 WeakPolarHBondContact NE2-CD1 3.47Å; H427-I431 WeakPolarHBondContact O-CG1 3.36Å; H427-I431 PolarHBondContact O-N 2.87Å
428G88.4Confident87.1Confident0 Ų071 Ų710%036%0.357CS..Hα-helixtrans-59.5-43.117500000113F343 Y424 L425 I431 D432F343-G428 WeakPolarHBondContact CB-O 3.47Å; F343-G428 VanDerWaalsContact CD1-C 3.41Å; F343-G428 WeakPolarHBondContact CD1-O 3.29Å; F343-G428 WeakPolarHBondContact CG-O 3.46Å; Y424-G428 PolarHBondContact O-N 3.39Å; L425-G428 PolarHBondContact O-N 2.92Å; G428-I431 PolarHBondContact O-N 3.46Å; G428-D432 PolarHBondContact O-N 3.33Å
429L90Very high86.1Confident105 Ų10571.6 Ų71.655%0.5534%0.343SS..Hα-helixtrans-66.7-35.9175.6-71175.1000112.7F343 L425 G426 H427 I431 D432 Y433F343-L429 HydrophobicContact CD1-CD2 4.44Å; F343-L429 HydrophobicContact CE1-CD2 4.12Å; F343-L429 HydrophobicContact CE1-CG 4.23Å; L425-L429 WeakPolarHBondContact O-CB 3.5Å; L425-L429 VanDerWaalsContact O-CG 3.31Å; L425-L429 WeakPolarHBondContact O-CG 3.4Å; L425-L429 PolarHBondContact O-N 2.68Å; G426-L429 PolarHBondContact O-N 3.28Å; H427-L429 PolarHBondContact O-N 2.93Å; L429-I431 VanDerWaalsContact C-N 3.34Å; L429-D432 PolarHBondContact O-N 2.97Å; L429-Y433 WeakPolarHBondContact O-CB 3.47Å; L429-Y433 PolarHBondContact O-N 3.27Å
430L89.3Confident85Confident98 Ų9878.3 Ų78.351%0.51336%0.363SS..Hα-helixtrans-63.5-42.1172.8-74.1172000111G426 H427 Y433 F434G426-L430 WeakPolarHBondContact O-CG 3.33Å; G426-L430 PolarHBondContact O-N 3.44Å; H427-L430 WeakPolarHBondContact O-CB 3.23Å; H427-L430 PolarHBondContact O-N 3.3Å; L430-Y433 WeakPolarHBondContact O-CB 3.48Å; L430-Y433 PolarHBondContact O-N 3.03Å; L430-F434 WeakPolarHBondContact O-CD2 3.36Å; L430-F434 PolarHBondContact O-N 2.96Å
431I86.8Confident83.6Confident10 Ų1083.2 Ų83.25%0.05139%0.391CS..Hα-helixtrans-62-49.6174.6-66.9166.9000110.5F7 M340 I344 H427 G428 L429 Y433 F434 E435F7-I431 HydrophobicContact CB-CD1 3.87Å; F7-I431 HydrophobicContact CD1-CD1 4.21Å; F7-I431 HydrophobicContact CD1-CG1 4.46Å; F7-I431 HydrophobicContact CD2-CD1 4.25Å; F7-I431 HydrophobicContact CD2-CG2 4.43Å; F7-I431 HydrophobicContact CE2-CG2 4.15Å; F7-I431 HydrophobicContact CG-CD1 3.89Å; F7-I431 HydrophobicContact CZ-CG2 4.46Å; M340-I431 HydrophobicContact SD-CD1 4.04Å; I344-I431 HydrophobicContact CG1-CG2 4.49Å; H427-I431 WeakPolarHBondContact NE2-CD1 3.47Å; H427-I431 WeakPolarHBondContact O-CG1 3.36Å; H427-I431 PolarHBondContact O-N 2.87Å; G428-I431 PolarHBondContact O-N 3.46Å; L429-I431 VanDerWaalsContact C-N 3.34Å; I431-Y433 PolarHBondContact O-N 3.15Å; I431-F434 PolarHBondContact O-N 2.89Å; I431-E435 HydrophobicContact CG2-CG 4.33Å; I431-E435 WeakPolarHBondContact O-CB 3.36Å; I431-E435 WeakPolarHBondContact O-CG 3.47Å; I431-E435 PolarHBondContact O-N 2.69Å
432D85.1Confident82Confident17 Ų1784.3 Ų84.39%0.09140%0.397CS..Hα-helixtrans-57.1-38.9176.2175.983.9000111.1F343 R352 G428 L429 K436F343-D432 HydrophobicContact CB-CB 4.37Å; R352-D432 IonicContact CZ-OD1 3.15Å; R352-D432 IonicContact NH1-OD1 3.34Å; R352-D432 IonicContact NH2-OD1 2.77Å; R352-D432 PolarHBondContact NH2-OD1 3.08Å; G428-D432 PolarHBondContact O-N 3.33Å; L429-D432 PolarHBondContact O-N 2.97Å; D432-K436 WeakPolarHBondContact O-CB 3.49Å; D432-K436 VanDerWaalsContact O-CG 3.25Å; D432-K436 WeakPolarHBondContact O-CG 3.35Å; D432-K436 PolarHBondContact O-N 2.94Å; D432-K436 IonicContact OD1-NZ 2.66Å; D432-K436 VanDerWaalsContact OD2-CE 3.23Å; D432-K436 WeakPolarHBondContact OD2-CE 3.43Å; D432-K436 IonicContact OD2-NZ 3.71Å; D432-K436 PolarHBondContact OD2-NZ 3Å
433Y86.1Confident80.3Confident132 Ų13286 Ų8652%0.51840%0.401SS..Hα-helixtrans-65.2-48.5174.6174-101.5000113L429 L430 I431 E435 K436 K437L429-Y433 WeakPolarHBondContact O-CB 3.47Å; L429-Y433 PolarHBondContact O-N 3.27Å; L430-Y433 WeakPolarHBondContact O-CB 3.48Å; L430-Y433 PolarHBondContact O-N 3.03Å; I431-Y433 PolarHBondContact O-N 3.15Å; Y433-E435 VanDerWaalsContact C-N 3.33Å; Y433-E435 PolarHBondContact O-N 3.32Å; Y433-K436 PolarHBondContact O-N 3.27Å; Y433-K437 HydrophobicContact CE1-CD 4.36Å; Y433-K437 WeakPolarHBondContact O-CB 3.28Å; Y433-K437 PolarHBondContact O-N 3.1Å
434F84.1Confident78.1Confident129 Ų12992.1 Ų92.157%0.56643%0.433SS*.Hα-helixtrans-65.1-37.9178.5-82.2-67000111.9L430 I431 K437 R438L430-F434 WeakPolarHBondContact O-CD2 3.36Å; L430-F434 PolarHBondContact O-N 2.96Å; I431-F434 PolarHBondContact O-N 2.89Å; F434-K437 PolarHBondContact O-N 2.91Å; F434-R438 VanDerWaalsContact O-CB 3.29Å; F434-R438 WeakPolarHBondContact O-CB 3.28Å; F434-R438 PolarHBondContact O-N 2.62Å
435E80.4Confident75.9Confident35 Ų3598 Ų9816%0.16447%0.465CS..Hα-helixtrans-64.4-45.7173.8-75.2-162.5-178.400111.5I431 Y433 K437 R438 R439I431-E435 HydrophobicContact CG2-CG 4.33Å; I431-E435 WeakPolarHBondContact O-CB 3.36Å; I431-E435 WeakPolarHBondContact O-CG 3.47Å; I431-E435 PolarHBondContact O-N 2.69Å; Y433-E435 VanDerWaalsContact C-N 3.33Å; Y433-E435 PolarHBondContact O-N 3.32Å; E435-K437 VanDerWaalsContact C-N 3.32Å; E435-K437 PolarHBondContact O-N 3.25Å; E435-R438 PolarHBondContact O-N 3.22Å; E435-R439 WeakPolarHBondContact O-CB 2.96Å; E435-R439 VanDerWaalsContact O-CD 3.28Å; E435-R439 WeakPolarHBondContact O-CD 3.35Å; E435-R439 WeakPolarHBondContact O-CG 3.34Å; E435-R439 PolarHBondContact O-N 2.99Å; E435-R439 IonicContact OE2-NH2 3.6Å
436K80.1Confident73.8Confident116 Ų116103.4 Ų103.450%0.50449%0.488SS..Hα-helixtrans-59.3-42.2173.8-78.6170.6177.71660112D432 Y433 R439 R440D432-K436 WeakPolarHBondContact O-CB 3.49Å; D432-K436 VanDerWaalsContact O-CG 3.25Å; D432-K436 WeakPolarHBondContact O-CG 3.35Å; D432-K436 PolarHBondContact O-N 2.94Å; D432-K436 IonicContact OD1-NZ 2.66Å; D432-K436 VanDerWaalsContact OD2-CE 3.23Å; D432-K436 WeakPolarHBondContact OD2-CE 3.43Å; D432-K436 IonicContact OD2-NZ 3.71Å; D432-K436 PolarHBondContact OD2-NZ 3Å; Y433-K436 PolarHBondContact O-N 3.27Å; K436-R439 PolarHBondContact O-N 3.32Å; K436-R440 PolarHBondContact O-N 3.04Å
437K81.2Confident71.7Confident125 Ų125108.1 Ų108.154%0.54351%0.51SS..Hα-helixtrans-67.8-44.1178.4-175.1174.1179.3178.40112.3Y433 F434 E435 R439 R440 N441Y433-K437 HydrophobicContact CE1-CD 4.36Å; Y433-K437 WeakPolarHBondContact O-CB 3.28Å; Y433-K437 PolarHBondContact O-N 3.1Å; F434-K437 PolarHBondContact O-N 2.91Å; E435-K437 VanDerWaalsContact C-N 3.32Å; E435-K437 PolarHBondContact O-N 3.25Å; K437-R439 PolarHBondContact O-N 3.33Å; K437-R440 PolarHBondContact O-N 2.95Å; K437-N441 PolarHBondContact O-N 3.3Å
438R76.3Confident69.6Low187 Ų187114 Ų11471%0.70654%0.542SS*.Hα-helixtrans-57.5-39.6174.5-175.8180-177.9-179.81.5110.9F434 E435 N441 N442F434-R438 VanDerWaalsContact O-CB 3.29Å; F434-R438 WeakPolarHBondContact O-CB 3.28Å; F434-R438 PolarHBondContact O-N 2.62Å; E435-R438 PolarHBondContact O-N 3.22Å; R438-N441 PolarHBondContact O-N 3.01Å; R438-N442 PolarHBondContact O-N 3.07Å
439R66.8Low67.4Low88 Ų88117.9 Ų117.933%0.33257%0.574SS.*Hα-helixtrans-74.2-38.4178.8-68.4162.8-171.1-98.910.1113.1Q346 E435 K436 K437 N441 N442 N443Q346-R439 VanDerWaalsContact OE1-NH1 3.15Å; E435-R439 WeakPolarHBondContact O-CB 2.96Å; E435-R439 VanDerWaalsContact O-CD 3.28Å; E435-R439 WeakPolarHBondContact O-CD 3.35Å; E435-R439 WeakPolarHBondContact O-CG 3.34Å; E435-R439 PolarHBondContact O-N 2.99Å; E435-R439 IonicContact OE2-NH2 3.6Å; K436-R439 PolarHBondContact O-N 3.32Å; K437-R439 PolarHBondContact O-N 3.33Å; R439-N441 PolarHBondContact O-N 3.41Å; R439-N442 CarbonylContact O-C 3.56Å; R439-N442 WeakPolarHBondContact O-CA 3.42Å; R439-N442 PolarHBondContact O-N 3.27Å; R439-N443 PolarHBondContact O-N 3.06Å
440R63.8Low65.4Low223 Ų223118.8 Ų118.884%0.84258%0.579SS**Hα-helixtrans-61.9-23.8173.9-168.7167.9179.3163.8-0.3112.5K436 K437K436-R440 PolarHBondContact O-N 3.04Å; K437-R440 PolarHBondContact O-N 2.95Å
441N59.3Low63.5Low146 Ų146119.4 Ų119.478%0.78158%0.583SS**THydrogen-bonded Turntrans-81.2-16.1172.6-145.546.7000113.4K437 R438 R439K437-N441 PolarHBondContact O-N 3.3Å; R438-N441 PolarHBondContact O-N 3.01Å; R439-N441 PolarHBondContact O-N 3.41Å
442N57.2Low61.9Low123 Ų123125.2 Ų125.266%0.65861%0.614SS**THydrogen-bonded Turntrans-108.2-21.6-178.4-86.119.9000114R438 R439R438-N442 PolarHBondContact O-N 3.07Å; R439-N442 CarbonylContact O-C 3.56Å; R439-N442 WeakPolarHBondContact O-CA 3.42Å; R439-N442 PolarHBondContact O-N 3.27Å
443N54.8Low60.7Low101 Ų101130.7 Ų130.754%0.5464%0.639SS.*  trans-107.996.1-176.9-77.934.3000111.2R439 D445R439-N443 PolarHBondContact O-N 3.06Å; N443-D445 VanDerWaalsContact C-N 3.34Å; N443-D445 PolarHBondContact ND2-O 2.86Å
444N44.6Very low59.2Low164 Ų164125.6 Ų125.688%0.87762%0.619SS**SBendtrans-88-4145-109.81.9000112.1
445D45.3Very low57.7Low131 Ų131122.7 Ų122.770%0.70161%0.609SS**SBendtrans-129.2142.2-177.4-68.9-51.6000113.4N443N443-D445 VanDerWaalsContact C-N 3.34Å; N443-D445 PolarHBondContact ND2-O 2.86Å
446E47Very low56.6Low189 Ų189124.2 Ų124.288%0.88362%0.623SS**  trans92126.4162-70.4-175.8161.600121.6
447V48.3Very low55.7Low132 Ų132122.1 Ų122.180%0.862%0.623SS**  trans-98.6131.5-164.5166.50000108.8A449V447-A449 PolarHBondContact O-N 3.47Å
448N47.7Very low54.2Low144 Ų144117.7 Ų117.777%0.7761%0.605SS**  trans19.582.3142.8-133.721.1000117.3
449A41.6Very low53.3Low80 Ų80117 Ų11766%0.66160%0.603SS**  trans-83.8140.9160.600000110.5V447V447-A449 PolarHBondContact O-N 3.47Å
450N46.6Very low52.8Low125 Ų125117.7 Ų117.767%0.66861%0.613SS**  trans-65.3150-162.6-67.1-49.2000115.2L452N450-L452 VanDerWaalsContact C-N 3.28Å; N450-L452 PolarHBondContact O-N 3.41Å
451N50.7Low52.4Low110 Ų110112.5 Ų112.559%0.58859%0.593SS**THydrogen-bonded Turntrans-72.98.9-165.7-81.4-59.8000117.5W454N451-W454 PolarHBondContact O-NE1 3.29Å
452L53Low51.8Low133 Ų133110.4 Ų110.470%0.69658%0.575SS**THydrogen-bonded Turntrans-128.5-17.5-172.3-88145000116N450 W454 L455N450-L452 VanDerWaalsContact C-N 3.28Å; N450-L452 PolarHBondContact O-N 3.41Å; L452-W454 VanDerWaalsContact C-N 3.25Å; L452-W454 PolarHBondContact O-N 3.04Å; L452-L455 HydrophobicContact CD2-CD1 4.2Å; L452-L455 PolarHBondContact O-N 3.3Å
453E59.3Low51.4Low132 Ų132106.6 Ų106.662%0.61756%0.557SS**Hα-helixtrans-69.3-21.6177.7-75.8170.6167.300113.6S456 S457E453-S456 PolarHBondContact O-OG 2.87Å; E453-S457 PolarHBondContact O-N 3.08Å
454W55.1Low51.5Low25 Ų25104.2 Ų104.210%0.09555%0.547CS..Hα-helixtrans-77-23178.780.1-83.2000112.8K351 V354 V355 N451 L452 S457 L458K351-W454 HydrophobicContact CB-CD2 3.95Å; K351-W454 VanDerWaalsContact CB-CE2 3.47Å; K351-W454 HydrophobicContact CB-CE3 4.26Å; K351-W454 HydrophobicContact CB-CH2 3.82Å; K351-W454 HydrophobicContact CB-CZ2 3.4Å; K351-W454 VanDerWaalsContact CB-CZ2 3.4Å; K351-W454 HydrophobicContact CB-CZ3 4.19Å; K351-W454 HydrophobicContact CD-CB 4.18Å; K351-W454 HydrophobicContact CD-CD2 3.33Å; K351-W454 HydrophobicContact CD-CE3 3.76Å; K351-W454 HydrophobicContact CD-CG 3.5Å; K351-W454 HydrophobicContact CD-CZ2 4.42Å; K351-W454 HydrophobicContact CD-CZ3 4.46Å; K351-W454 HydrophobicContact CG-CD2 3.45Å; K351-W454 VanDerWaalsContact CG-CD2 3.45Å; K351-W454 HydrophobicContact CG-CE3 3.49Å; K351-W454 VanDerWaalsContact CG-CE3 3.49Å; K351-W454 HydrophobicContact CG-CG 4.18Å; K351-W454 HydrophobicContact CG-CH2 3.88Å; K351-W454 HydrophobicContact CG-CZ2 3.78Å; K351-W454 HydrophobicContact CG-CZ3 3.7Å; V354-W454 HydrophobicContact CB-CH2 3.61Å; V354-W454 HydrophobicContact CB-CZ3 4.11Å; V354-W454 HydrophobicContact CG1-CH2 3.87Å; V354-W454 HydrophobicContact CG1-CZ3 4.04Å; V354-W454 HydrophobicContact CG2-CH2 3.94Å; V355-W454 HydrophobicContact CG2-CZ3 4.3Å; N451-W454 PolarHBondContact O-NE1 3.29Å; L452-W454 VanDerWaalsContact C-N 3.25Å; L452-W454 PolarHBondContact O-N 3.04Å; W454-S457 PolarHBondContact O-OG 2.83Å; W454-L458 HydrophobicContact CE3-CB 4.23Å; W454-L458 HydrophobicContact CE3-CD1 4.03Å; W454-L458 HydrophobicContact CZ3-CB 4.27Å; W454-L458 HydrophobicContact CZ3-CD1 3.89Å; W454-L458 HydrophobicContact CZ3-CD2 4.48Å; W454-L458 HydrophobicContact CZ3-CG 4.44Å; W454-L458 WeakPolarHBondContact O-CB 3.35Å; W454-L458 PolarHBondContact O-N 2.86Å
455L51.7Low51.6Low68 Ų68102.5 Ų102.536%0.35653%0.53SS..Hα-helixtrans-73.6-39.6178.7-83.5168.1000111V354 L452 L458 W459V354-L455 HydrophobicContact CG1-CD2 4.45Å; V354-L455 HydrophobicContact CG2-CD2 4.48Å; L452-L455 HydrophobicContact CD2-CD1 4.2Å; L452-L455 PolarHBondContact O-N 3.3Å; L455-L458 PolarHBondContact O-N 2.93Å; L455-W459 WeakPolarHBondContact O-CB 3.25Å; L455-W459 PolarHBondContact O-N 3.37Å
456S58.9Low51.5Low67 Ų67101 Ų10147%0.46952%0.521SS..Hα-helixtrans-65.6-44.7172.348.90000111E453 L458 W459 D460E453-S456 PolarHBondContact O-OG 2.87Å; S456-L458 VanDerWaalsContact C-N 3.29Å; S456-L458 PolarHBondContact O-N 3.17Å; S456-W459 WeakPolarHBondContact O-CB 3.34Å; S456-W459 PolarHBondContact O-N 3.25Å; S456-W459 VanDerWaalsContact O-N 3.17Å; S456-D460 PolarHBondContact O-N 3.5Å
457S59.8Low51.4Low72 Ų7299.8 Ų99.850%0.50351%0.513SS..Hα-helixtrans-65.9-30.8177.983.80000113.5E453 W454 W461E453-S457 PolarHBondContact O-N 3.08Å; W454-S457 PolarHBondContact O-OG 2.83Å; S457-W461 WeakPolarHBondContact O-CB 3.4Å; S457-W461 PolarHBondContact O-N 3.19Å
458L50.9Low50.9Low31 Ų31100.6 Ų100.616%0.16251%0.508CS..Hα-helixtrans-77.6-30176-154.8125.1000112.2V354 V355 W454 L455 S456 W461 Y462V354-L458 HydrophobicContact CG1-CD2 3.77Å; V355-L458 HydrophobicContact CG2-CD1 3.62Å; W454-L458 HydrophobicContact CE3-CB 4.23Å; W454-L458 HydrophobicContact CE3-CD1 4.03Å; W454-L458 HydrophobicContact CZ3-CB 4.27Å; W454-L458 HydrophobicContact CZ3-CD1 3.89Å; W454-L458 HydrophobicContact CZ3-CD2 4.48Å; W454-L458 HydrophobicContact CZ3-CG 4.44Å; W454-L458 WeakPolarHBondContact O-CB 3.35Å; W454-L458 PolarHBondContact O-N 2.86Å; L455-L458 PolarHBondContact O-N 2.93Å; S456-L458 VanDerWaalsContact C-N 3.29Å; S456-L458 PolarHBondContact O-N 3.17Å; L458-W461 HydrophobicContact CG-CE3 4.32Å; L458-Y462 VanDerWaalsContact O-CB 3.32Å; L458-Y462 WeakPolarHBondContact O-CB 3.41Å; L458-Y462 PolarHBondContact O-N 2.89Å
459W56Low50.2Low174 Ų17499 Ų9966%0.65951%0.505SS*.Hα-helixtrans-67.1-44.7169.6-171.2-98.8000111.1L455 S456 W461 Y462 T463L455-W459 WeakPolarHBondContact O-CB 3.25Å; L455-W459 PolarHBondContact O-N 3.37Å; S456-W459 WeakPolarHBondContact O-CB 3.34Å; S456-W459 PolarHBondContact O-N 3.25Å; S456-W459 VanDerWaalsContact O-N 3.17Å; W459-W461 VanDerWaalsContact C-N 3.31Å; W459-W461 PolarHBondContact O-N 3.41Å; W459-Y462 PolarHBondContact O-N 2.88Å; W459-Y462 VanDerWaalsContact O-N 3.15Å; W459-T463 WeakPolarHBondContact O-CG2 3.46Å; W459-T463 PolarHBondContact O-N 2.82Å; W459-T463 PolarHBondContact O-OG1 3.43Å
460D57.2Low50.2Low101 Ų101102.4 Ų102.454%0.5451%0.511SS..Hα-helixtrans-64.3-34.4174.5-71.8-25.4000112.6S456 T463 S464S456-D460 PolarHBondContact O-N 3.5Å; D460-T463 WeakPolarHBondContact CA-OG1 3.47Å; D460-T463 PolarHBondContact O-OG1 3.49Å; D460-S464 VanDerWaalsContact O-CB 3.28Å; D460-S464 WeakPolarHBondContact O-CB 3.37Å; D460-S464 PolarHBondContact O-N 3.38Å; D460-S464 PolarHBondContact O-OG 2.91Å
461W55.7Low49.6Very low114 Ų114101.6 Ų101.643%0.43252%0.522SS..Hα-helixtrans-68.4-38.9171.5179.466.9000112.6S358 S457 L458 W459 S464 Y465S358-W461 WeakPolarHBondContact OG-CZ3 3.14Å; S457-W461 WeakPolarHBondContact O-CB 3.4Å; S457-W461 PolarHBondContact O-N 3.19Å; L458-W461 HydrophobicContact CG-CE3 4.32Å; W459-W461 VanDerWaalsContact C-N 3.31Å; W459-W461 PolarHBondContact O-N 3.41Å; W461-S464 VanDerWaalsContact CA-OG 3.28Å; W461-S464 WeakPolarHBondContact CA-OG 3.43Å; W461-S464 PolarHBondContact O-OG 2.98Å; W461-Y465 WeakPolarHBondContact O-CB 3.46Å; W461-Y465 PolarHBondContact O-N 3.21Å; W461-Y465 VanDerWaalsContact O-N 3.1Å
462Y45.6Very low48.8Very low102 Ų102100.8 Ų100.840%0.453%0.525SS..Hα-helixtrans-71.4-40.2179-167.2-102.6000111.9L458 W459 Y465 L466L458-Y462 VanDerWaalsContact O-CB 3.32Å; L458-Y462 WeakPolarHBondContact O-CB 3.41Å; L458-Y462 PolarHBondContact O-N 2.89Å; W459-Y462 PolarHBondContact O-N 2.88Å; W459-Y462 VanDerWaalsContact O-N 3.15Å; Y462-Y465 PolarHBondContact O-N 3.39Å; Y462-L466 HydrophobicContact CD1-CD1 3.68Å; Y462-L466 HydrophobicContact CE1-CD1 3.15Å; Y462-L466 HydrophobicContact CE1-CG 4.44Å; Y462-L466 HydrophobicContact CE2-CD1 4.22Å; Y462-L466 HydrophobicContact CG-CD1 4.4Å; Y462-L466 VanDerWaalsContact CZ-CD1 3.46Å; Y462-L466 PolarHBondContact O-N 3.37Å; Y462-L466 VanDerWaalsContact O-N 3.11Å
463T49.5Very low47.9Very low44 Ų44103.6 Ų103.627%0.2753%0.532SS..Hα-helixtrans-67.5-40.7174.556.60000111.3W459 D460 Y465 L466 F467W459-T463 WeakPolarHBondContact O-CG2 3.46Å; W459-T463 PolarHBondContact O-N 2.82Å; W459-T463 PolarHBondContact O-OG1 3.43Å; D460-T463 WeakPolarHBondContact CA-OG1 3.47Å; D460-T463 PolarHBondContact O-OG1 3.49Å; T463-Y465 VanDerWaalsContact C-N 3.33Å; T463-Y465 PolarHBondContact O-N 3.33Å; T463-L466 PolarHBondContact O-N 3.01Å; T463-F467 WeakPolarHBondContact O-CB 3.28Å; T463-F467 VanDerWaalsContact O-CD2 3.26Å; T463-F467 WeakPolarHBondContact O-CD2 3.16Å; T463-F467 PolarHBondContact O-N 3.24Å
464S56.8Low46.5Very low50 Ų50105.3 Ų105.335%0.3554%0.54SS..Hα-helixtrans-65.1-34.2176.450.90000112.9D460 W461 H468D460-S464 VanDerWaalsContact O-CB 3.28Å; D460-S464 WeakPolarHBondContact O-CB 3.37Å; D460-S464 PolarHBondContact O-N 3.38Å; D460-S464 PolarHBondContact O-OG 2.91Å; W461-S464 VanDerWaalsContact CA-OG 3.28Å; W461-S464 WeakPolarHBondContact CA-OG 3.43Å; W461-S464 PolarHBondContact O-OG 2.98Å; S464-H468 WeakPolarHBondContact O-CB 3.44Å; S464-H468 PolarHBondContact O-CD2 3.34Å; S464-H468 PolarHBondContact O-N 3.21Å
465Y46.8Very low45.4Very low128 Ų128111.9 Ų111.950%0.50258%0.577SS.*Hα-helixtrans-79.1-31.3179.3-158-98.9000114.1W461 Y462 T463W461-Y465 WeakPolarHBondContact O-CB 3.46Å; W461-Y465 PolarHBondContact O-N 3.21Å; W461-Y465 VanDerWaalsContact O-N 3.1Å; Y462-Y465 PolarHBondContact O-N 3.39Å; T463-Y465 VanDerWaalsContact C-N 3.33Å; T463-Y465 PolarHBondContact O-N 3.33Å
466L43.9Very low44.2Very low101 Ų101117.2 Ų117.253%0.52960%0.597SS.*Hα-helixtrans-83.2-25.7177.4-84167.9000113.7Y462 T463Y462-L466 HydrophobicContact CD1-CD1 3.68Å; Y462-L466 HydrophobicContact CE1-CD1 3.15Å; Y462-L466 HydrophobicContact CE1-CG 4.44Å; Y462-L466 HydrophobicContact CE2-CD1 4.22Å; Y462-L466 HydrophobicContact CG-CD1 4.4Å; Y462-L466 VanDerWaalsContact CZ-CD1 3.46Å; Y462-L466 PolarHBondContact O-N 3.37Å; Y462-L466 VanDerWaalsContact O-N 3.11Å; T463-L466 PolarHBondContact O-N 3.01Å
467F44.6Very low43.1Very low162 Ų162119.5 Ų119.571%0.71161%0.611SS**Hα-helixtrans-110.70.7-173.3-64.5-71.7000115.5T463 P469T463-F467 WeakPolarHBondContact O-CB 3.28Å; T463-F467 VanDerWaalsContact O-CD2 3.26Å; T463-F467 WeakPolarHBondContact O-CD2 3.16Å; T463-F467 PolarHBondContact O-N 3.24Å; F467-P469 WeakPolarHBondContact O-CD 3.29Å
468H38.2Very low41.5Very low150 Ų150122.8 Ų122.869%0.69463%0.628SS**  trans-112.598.7168.3-73.1-66.1000112.7S464S464-H468 WeakPolarHBondContact O-CB 3.44Å; S464-H468 PolarHBondContact O-CD2 3.34Å; S464-H468 PolarHBondContact O-N 3.21Å
469P32.8Very low40.4Very low109 Ų109129.9 Ų129.971%0.70866%0.66SS**  trans-76124.3160.710.25.4000109.6F467F467-P469 WeakPolarHBondContact O-CD 3.29Å
470I40.7Very low39.1Very low152 Ų152126 Ų12678%0.77966%0.66SS**  trans62.986.1154.4-45.8166.1000115.2
471A34.7Very low38Very low109 Ų109128.3 Ų128.390%0.90167%0.672SS**  trans-129.764.8153.900000109.1
472S34.4Very low36.9Very low93 Ų93133.4 Ų133.465%0.6569%0.691SS**  trans-122.559.1170.9720000110.3
473F32.6Very low36.4Very low191 Ų191136.7 Ų136.784%0.83872%0.715SS**  trans-153.492.2161.5-92.3-75.2000108.6
474Q31.3Very low35.9Very low168 Ų168142.5 Ų142.579%0.78574%0.74SS**  163108125.6-88.1171.8-14.100110.1
475N31.1Very low35.2Very low164 Ų164145.7 Ų145.788%0.87775%0.753SS**  trans-65.9125.1155.1-74.8-29.4000108.1
476F26.5Very low35.3Very low179 Ų179144.1 Ų144.179%0.78576%0.758SS**  trans-139.9133.3149.5-94.2-78.3000108.9
477P35Very low35.4Very low116 Ų116144.8 Ų144.875%0.75376%0.762SS**  trans-94118.2174.433.7-24.1000108.9
478V26.7Very low35.5Very low141 Ų141140.9 Ų140.986%0.85575%0.748SS**  trans-145.2125.8156.7-177.10000108.6
479E27.8Very low35.8Very low179 Ų179139.8 Ų139.884%0.83674%0.742SS**  trans-62.1168.8176.1-74.8166.1129.200113.9
480S29Very low36.6Very low94 Ų94140.1 Ų140.166%0.65774%0.737SS**  trans89.1114.3158.366.90000118.7
481D33.7Very low36.8Very low149 Ų149139.2 Ų139.280%0.79773%0.729SS**  trans72.586.8142.7-59.3-8.6000118.8
482W33.2Very low37.1Very low220 Ų220142 Ų14283%0.83372%0.717SS**  trans-138.678.1156-66.798000110.3
483D35.9Very low37.4Very low171 Ų171143.5 Ų143.591%0.91472%0.717SS**  trans-9473152.4-93.3-25.5000107.5
484E38.5Very low37.9Very low167 Ų167137.7 Ų137.778%0.7870%0.704SS**SBendtrans-152.7127.2155.8-76.5-152.5164.400110.9
485D42.8Very low38.2Very low117 Ų117135.9 Ų135.963%0.62669%0.694SS**  trans0.4114.2174.7-111.4-28.1000119.7D487 L488D485-D487 PolarHBondContact O-N 3.39Å; D485-L488 PolarHBondContact O-N 3.15Å
486P48.8Very low38.6Very low94 Ų94133.8 Ų133.861%0.6169%0.689SS**Hα-helixtrans-67.6-18.417725.8-32000114.4L488 F489 L490P486-L488 VanDerWaalsContact C-N 3.34Å; P486-F489 PolarHBondContact O-N 3.48Å; P486-L490 PolarHBondContact O-N 3.43Å
487D44.6Very low39.1Very low115 Ų115131.6 Ų131.662%0.61569%0.685SS**Hα-helixtrans-69.6-32.4178.4-73.1-17.4000112.1D485 F489 L490 E491D485-D487 PolarHBondContact O-N 3.39Å; D487-F489 VanDerWaalsContact C-N 3.29Å; D487-F489 PolarHBondContact O-N 3.28Å; D487-L490 PolarHBondContact O-N 3.33Å; D487-E491 PolarHBondContact O-N 3.25Å; D487-E491 VanDerWaalsContact O-N 3.15Å
488L46.8Very low39.4Very low80 Ų80131.4 Ų131.442%0.41968%0.677SS.*Hα-helixtrans-71.5-26.6177.1-149.685.1000112.1D485 P486 R492D485-L488 PolarHBondContact O-N 3.15Å; P486-L488 VanDerWaalsContact C-N 3.34Å; L488-R492 WeakPolarHBondContact O-CD 3.49Å; L488-R492 VanDerWaalsContact O-CG 3.26Å; L488-R492 WeakPolarHBondContact O-CG 3.2Å; L488-R492 PolarHBondContact O-N 3.36Å
489F45.8Very low40.3Very low127 Ų127136.2 Ų136.256%0.55768%0.681SS**Hα-helixtrans-78.5-37.4178.7-157.8-94.9000111.6P486 D487 R492 L493P486-F489 PolarHBondContact O-N 3.48Å; D487-F489 VanDerWaalsContact C-N 3.29Å; D487-F489 PolarHBondContact O-N 3.28Å; F489-R492 PolarHBondContact O-N 2.8Å; F489-L493 HydrophobicContact CD1-CD1 3.73Å; F489-L493 HydrophobicContact CD1-CG 4.42Å; F489-L493 HydrophobicContact CE1-CD1 3.72Å; F489-L493 HydrophobicContact CE1-CG 4.41Å; F489-L493 WeakPolarHBondContact O-CG 3.26Å; F489-L493 PolarHBondContact O-N 2.87Å
490L47.9Very low41Very low116 Ų116135.2 Ų135.261%0.60768%0.68SS**Hα-helixtrans-67.9-39.2174.2-82.8162.6000112.2P486 D487 R492 L493 A494P486-L490 PolarHBondContact O-N 3.43Å; D487-L490 PolarHBondContact O-N 3.33Å; L490-R492 VanDerWaalsContact C-N 3.28Å; L490-R492 PolarHBondContact O-N 3.36Å; L490-L493 PolarHBondContact O-N 3.18Å; L490-A494 PolarHBondContact O-N 3.35Å
491E46Very low41.6Very low133 Ų133137.6 Ų137.662%0.62168%0.68SS**Hα-helixtrans-66.3-31.2176-157.3172.9-160.500112.1D487 F495D487-E491 PolarHBondContact O-N 3.25Å; D487-E491 VanDerWaalsContact O-N 3.15Å; E491-F495 WeakPolarHBondContact O-CD2 3.42Å
492R40.6Very low42.2Very low169 Ų169134.9 Ų134.964%0.63867%0.671SS**Hα-helixtrans-74.4-23.4174.2-77174-178.7162.53114.5L488 F489 L490L488-R492 WeakPolarHBondContact O-CD 3.49Å; L488-R492 VanDerWaalsContact O-CG 3.26Å; L488-R492 WeakPolarHBondContact O-CG 3.2Å; L488-R492 PolarHBondContact O-N 3.36Å; F489-R492 PolarHBondContact O-N 2.8Å; L490-R492 VanDerWaalsContact C-N 3.28Å; L490-R492 PolarHBondContact O-N 3.36Å
493L42.1Very low43.3Very low123 Ų123132.2 Ų132.264%0.64467%0.672SS**Hα-helixtrans-90.7-15.8178.4-72.3170.8000113.4F489 L490 F495F489-L493 HydrophobicContact CD1-CD1 3.73Å; F489-L493 HydrophobicContact CD1-CG 4.42Å; F489-L493 HydrophobicContact CE1-CD1 3.72Å; F489-L493 HydrophobicContact CE1-CG 4.41Å; F489-L493 WeakPolarHBondContact O-CG 3.26Å; F489-L493 PolarHBondContact O-N 2.87Å; L490-L493 PolarHBondContact O-N 3.18Å; L493-F495 VanDerWaalsContact C-N 3.32Å; L493-F495 PolarHBondContact O-N 3.39Å
494A42.4Very low44.6Very low69 Ų69125.8 Ų125.857%0.5764%0.637SS**SBendtrans-80.2-2.2-173.400000115.3L490L490-A494 PolarHBondContact O-N 3.35Å
495F38.2Very low46Very low131 Ų131122.1 Ų122.158%0.57563%0.628SS**  trans-116.4110.1-179.5-65.9-79.4000111.8E491 L493 D497E491-F495 WeakPolarHBondContact O-CD2 3.42Å; L493-F495 VanDerWaalsContact C-N 3.32Å; L493-F495 PolarHBondContact O-N 3.39Å; F495-D497 PolarHBondContact O-N 3.45Å
496P39.4Very low47.4Very low120 Ų120120.2 Ų120.278%0.77962%0.621SS**THydrogen-bonded Turntrans-77.838.7179.834.4-34.8000112.7
497D36.8Very low48.5Very low132 Ų132120.6 Ų120.671%0.70662%0.618SS**THydrogen-bonded Turntrans-113.30.3-177-81.9-18.5000114.1F495F495-D497 PolarHBondContact O-N 3.45Å
498L40.1Very low50.1Low112 Ų112116.9 Ų116.959%0.58660%0.595SS**G310 helixtrans-97.67.2-169.6-115.5136000116.4L500L498-L500 VanDerWaalsContact C-N 3.27Å; L498-L500 PolarHBondContact O-N 3.46Å
499W45.4Very low51.8Low243 Ų243113.9 Ų113.992%0.9258%0.58SS**G310 helixtrans-83.24.4178.7-74.777.2000114.5
500L42.9Very low53.2Low157 Ų157116 Ų11682%0.82259%0.589SS**G310 helixtrans-131.411.3-175.8-69.3172.2000115.2L498L498-L500 VanDerWaalsContact C-N 3.27Å; L498-L500 PolarHBondContact O-N 3.46Å
501H41Very low54.6Low144 Ų144117.1 Ų117.167%0.66760%0.595SS**SBendtrans-120.7124.4177.4-70.1-27.6000112.4L503H501-L503 PolarHBondContact O-N 3.31Å
502P47.7Very low56.3Low92 Ų92111.4 Ų111.460%0.59757%0.569SS**  trans-63.6132.217426.2-31.6000109.3I504P502-I504 WeakPolarHBondContact O-CG1 3.45Å; P502-I504 PolarHBondContact O-N 3.24Å
503L55.6Low58.3Low164 Ų164106.1 Ų106.186%0.85956%0.556SS**  trans-62.2104.6169.8-68.6168.7000108H501H501-L503 PolarHBondContact O-N 3.31Å
504I62.8Low60.3Low36 Ų36105.2 Ų105.219%0.18555%0.55CS.*  trans-92.7119.4178.8-62.6146.3000107.3P502 T506 Y508 H657 Y667P502-I504 WeakPolarHBondContact O-CG1 3.45Å; P502-I504 PolarHBondContact O-N 3.24Å; I504-T506 PolarHBondContact O-N 3.27Å; I504-Y508 HydrophobicContact CG2-CD1 4.04Å; I504-Y508 HydrophobicContact CG2-CE1 3.64Å; I504-H657 HydrophobicContact CD1-CB 3.75Å; I504-H657 PolarHBondContact O-CE1 3.14Å; I504-Y667 HydrophobicContact CD1-CD1 4.08Å; I504-Y667 HydrophobicContact CD1-CE1 3.32Å; I504-Y667 HydrophobicContact CG1-CE1 4.08Å; I504-Y667 HydrophobicContact CG2-CD1 4.05Å; I504-Y667 HydrophobicContact CG2-CE1 4.39Å; I504-Y667 HydrophobicContact CG2-CG 4.33Å
505P68.3Low62.2Low90 Ų90103.4 Ų103.458%0.58453%0.529SS*.  trans-58.1138.3176.5-21.631.7000111D507 Y508P505-D507 PolarHBondContact O-N 3.42Å; P505-Y508 WeakPolarHBondContact O-CD1 3.37Å; P505-Y508 WeakPolarHBondContact O-CE1 3.49Å
506T71.9Confident64.2Low77 Ų77105.1 Ų105.147%0.47253%0.531SS..G310 helixtrans-75.7-4.2-179.6460000113.8I504 Y508 I509I504-T506 PolarHBondContact O-N 3.27Å; T506-Y508 PolarHBondContact O-N 3.48Å; T506-Y508 VanDerWaalsContact O-N 3.17Å; T506-I509 HydrophobicContact CG2-CD1 4.12Å; T506-I509 WeakPolarHBondContact O-CB 3.13Å; T506-I509 VanDerWaalsContact O-CG1 3.25Å; T506-I509 WeakPolarHBondContact O-CG1 3.37Å; T506-I509 PolarHBondContact O-N 3.03Å; T506-I509 VanDerWaalsContact O-N 3.08Å
507D73.3Confident66.1Low103 Ų10399.7 Ų99.755%0.55150%0.495SS*.G310 helixtrans-60.7-27.8-176.6-66.8-42.6000114.1P505 I509 K510P505-D507 PolarHBondContact O-N 3.42Å; D507-I509 PolarHBondContact O-N 2.86Å; D507-K510 PolarHBondContact O-N 3.41Å
508Y77.9Confident67.8Low37 Ų3799.2 Ų99.215%0.14549%0.487CS..G310 helixtrans-65.8-20.7178.276.3-91.4000113I504 P505 T506 K510 N511 H657 S666I504-Y508 HydrophobicContact CG2-CD1 4.04Å; I504-Y508 HydrophobicContact CG2-CE1 3.64Å; P505-Y508 WeakPolarHBondContact O-CD1 3.37Å; P505-Y508 WeakPolarHBondContact O-CE1 3.49Å; T506-Y508 PolarHBondContact O-N 3.48Å; T506-Y508 VanDerWaalsContact O-N 3.17Å; Y508-K510 PolarHBondContact O-N 3.01Å; Y508-N511 PolarHBondContact O-N 2.81Å; Y508-H657 AromaticContact CE1-ND1 3.69Å; Y508-H657 AromaticContact CZ-ND1 3.74Å; Y508-H657 PolarHBondContact OH-ND1 3.19Å; Y508-S666 WeakPolarHBondContact CE2-OG 3.31Å; Y508-S666 PolarHBondContact OH-OG 3.33Å
509I81Confident68.8Low17 Ų1794.5 Ų94.59%0.08746%0.463CS..G310 helixtrans-62.2-35-178.8-60.1172000110.3T506 D507 N511 L512 V649 L652T506-I509 HydrophobicContact CG2-CD1 4.12Å; T506-I509 WeakPolarHBondContact O-CB 3.13Å; T506-I509 VanDerWaalsContact O-CG1 3.25Å; T506-I509 WeakPolarHBondContact O-CG1 3.37Å; T506-I509 PolarHBondContact O-N 3.03Å; T506-I509 VanDerWaalsContact O-N 3.08Å; D507-I509 PolarHBondContact O-N 2.86Å; I509-N511 PolarHBondContact O-N 2.86Å; I509-L512 HydrophobicContact CG2-CD1 4.41Å; I509-L512 PolarHBondContact O-N 3.38Å; I509-V649 HydrophobicContact CG2-CG2 4.06Å; I509-L652 HydrophobicContact CD1-CB 3.61Å; I509-L652 HydrophobicContact CD1-CD1 4.32Å; I509-L652 HydrophobicContact CG1-CB 4.22Å; I509-L652 HydrophobicContact CG1-CD1 4Å; I509-L652 HydrophobicContact CG2-CD1 4.36Å
510K75.8Confident69.3Low172 Ų17288.6 Ų88.675%0.74845%0.449SS*.G310 helixtrans-64.9-22176.9-65176.6-178.9167.70113D507 Y508D507-K510 PolarHBondContact O-N 3.41Å; Y508-K510 PolarHBondContact O-N 3.01Å
511N77.1Confident69.3Low139 Ų13984 Ų8474%0.74344%0.439SS*.G310 helixtrans-96.15.1-175.9-59.6-26000112.9Y508 I509Y508-N511 PolarHBondContact O-N 2.81Å; I509-N511 PolarHBondContact O-N 2.86Å
512L82.9Confident68.9Low12 Ų1284 Ų846%0.06345%0.449CS..SBendtrans-75.1142.2177.1-69.4171.9000110.9I509 M514 M635 L637 P638 L652I509-L512 HydrophobicContact CG2-CD1 4.41Å; I509-L512 PolarHBondContact O-N 3.38Å; L512-M514 VanDerWaalsContact O-CG 3.27Å; L512-M514 WeakPolarHBondContact O-CG 3.45Å; L512-M514 PolarHBondContact O-N 2.73Å; L512-M635 HydrophobicContact CB-CE 4.48Å; L512-M635 HydrophobicContact CB-CG 3.9Å; L512-M635 HydrophobicContact CB-SD 3.99Å; L512-M635 HydrophobicContact CD1-CG 4.3Å; L512-M635 HydrophobicContact CD1-SD 3.74Å; L512-L637 HydrophobicContact CD1-CD2 3.83Å; L512-L637 HydrophobicContact CD2-CD2 4.29Å; L512-P638 HydrophobicContact CD2-CG 4.21Å; L512-L652 HydrophobicContact CD1-CD1 3.96Å
513P81.3Confident67.9Low58 Ų5888.5 Ų88.538%0.37746%0.462SS..  trans-64.6130.9179.725.8-33.7000110.9M615 M635 G636P513-M615 HydrophobicContact CB-CE 4.31Å; P513-M615 HydrophobicContact CG-CE 3.3Å; P513-M635 WeakPolarHBondContact O-CA 3.4Å; P513-G636 WeakPolarHBondContact CD-O 3.42Å; P513-G636 PolarHBondContact O-N 2.93Å
514M83.9Confident66.6Low105 Ų10586.3 Ų86.352%0.51746%0.461SS..EExtended strand (participates in β ladder)trans-127.2139.3179-16.8-175.9-59.200110L512 L634 M635L512-M514 VanDerWaalsContact O-CG 3.27Å; L512-M514 WeakPolarHBondContact O-CG 3.45Å; L512-M514 PolarHBondContact O-N 2.73Å; M514-L634 VanDerWaalsContact CA-O 3.23Å; M514-L634 WeakPolarHBondContact CA-O 3.49Å; M514-M635 HydrophobicContact CG-CE 4.34Å; M514-M635 HydrophobicContact SD-CE 4.09Å
515W82.2Confident65Low31 Ų3193.1 Ų93.112%0.11749%0.492CS..EExtended strand (participates in β ladder)trans-148.3164173.566.6102.8000110.4W611 P612 M615 L634 V642W515-W611 HydrophobicContact CZ2-CD2 4.01Å; W515-W611 AromaticContact CZ2-CE2 3.89Å; W515-W611 HydrophobicContact CZ2-CE3 4.18Å; W515-W611 HydrophobicContact CZ2-CH2 4.16Å; W515-W611 AromaticContact CZ2-CZ2 3.99Å; W515-W611 HydrophobicContact CZ2-CZ2 3.99Å; W515-W611 HydrophobicContact CZ2-CZ3 4.24Å; W515-W611 AromaticContact NE1-CE3 3.77Å; W515-P612 HydrophobicContact CD2-CG 3.76Å; W515-P612 VanDerWaalsContact CE2-CD 3.46Å; W515-P612 HydrophobicContact CE3-CG 3.63Å; W515-P612 HydrophobicContact CG-CG 4.43Å; W515-P612 HydrophobicContact CH2-CG 3.98Å; W515-P612 HydrophobicContact CZ2-CG 4.09Å; W515-P612 HydrophobicContact CZ3-CG 3.76Å; W515-M615 HydrophobicContact CH2-CB 4.21Å; W515-M615 HydrophobicContact CH2-CG 3.74Å; W515-M615 HydrophobicContact CH2-SD 4.38Å; W515-M615 HydrophobicContact CZ3-CG 4.21Å; W515-L634 HydrophobicContact CD2-CB 4.4Å; W515-L634 HydrophobicContact CZ2-CB 4.27Å; W515-L634 HydrophobicContact CZ2-CD1 4.46Å; W515-L634 PolarHBondContact N-O 3.16Å; W515-L634 VanDerWaalsContact N-O 3.1Å; W515-L634 PolarHBondContact O-N 3.3Å; W515-V642 HydrophobicContact CH2-CB 4.22Å; W515-V642 HydrophobicContact CH2-CG1 3.57Å; W515-V642 HydrophobicContact CH2-CG2 3.57Å; W515-V642 HydrophobicContact CZ2-CB 4.4Å; W515-V642 HydrophobicContact CZ2-CG1 3.58Å; W515-V642 HydrophobicContact CZ2-CG2 3.92Å
516R80.7Confident63.1Low166 Ų16698.3 Ų98.363%0.62651%0.508SS*.EExtended strand (participates in β ladder)trans-90.4129.4174-70.2-177.4177.3-135.51.7109.4C632 L633R516-C632 CarbonylContact C-O 3.53Å; R516-C632 WeakPolarHBondContact CA-O 3.18Å; R516-L633 HydrophobicContact CG-CD2 3.55Å; R516-L633 HydrophobicContact CG-CG 4.31Å
517F80.1Confident61.1Low7 Ų7103.7 Ų103.73%0.03153%0.528CS..  trans-66.9133.6173.1-171.8-118.5000109.9C519 P606 W611 F628 E629 N630 G631 C632 L634F517-C519 HydrophobicContact CE1-CB 4.32Å; F517-P606 HydrophobicContact CE2-CB 4Å; F517-P606 HydrophobicContact CZ-CB 3.76Å; F517-P606 HydrophobicContact CZ-CG 4.2Å; F517-W611 HydrophobicContact CD2-CE3 4.33Å; F517-W611 AromaticContact CD2-CZ3 3.72Å; F517-W611 HydrophobicContact CD2-CZ3 3.72Å; F517-W611 HydrophobicContact CE2-CE3 4.36Å; F517-W611 AromaticContact CE2-CZ3 3.78Å; F517-W611 HydrophobicContact CE2-CZ3 3.78Å; F517-F628 HydrophobicContact CD1-CB 3.59Å; F517-F628 HydrophobicContact CD2-CB 4.39Å; F517-F628 HydrophobicContact CE1-CB 3.71Å; F517-F628 VanDerWaalsContact CE1-O 3.29Å; F517-F628 WeakPolarHBondContact CE1-O 3.48Å; F517-F628 HydrophobicContact CE2-CB 4.49Å; F517-F628 HydrophobicContact CG-CB 3.94Å; F517-F628 HydrophobicContact CZ-CB 4.15Å; F517-E629 WeakPolarHBondContact CD1-O 3.46Å; F517-N630 PolarHBondContact O-OD1 3.49Å; F517-G631 WeakPolarHBondContact O-CA 3.5Å; F517-G631 PolarHBondContact O-N 3.37Å; F517-C632 PolarHBondContact N-O 3.45Å; F517-L634 HydrophobicContact CB-CD1 3.79Å; F517-L634 HydrophobicContact CB-CG 4.03Å; F517-L634 HydrophobicContact CD2-CD1 3.87Å; F517-L634 HydrophobicContact CG-CD1 4.11Å
518K72.3Confident58.9Low121 Ų121106.7 Ų106.753%0.52654%0.541SS..  trans-121.5136170.8-71.8-170.9179.2-176.80109.6D607 N630K518-D607 HydrophobicContact CB-CB 4.44Å; K518-D607 WeakPolarHBondContact O-CB 3.33Å; K518-D607 PolarHBondContact O-N 3.02Å; K518-D607 VanDerWaalsContact O-N 3.16Å; K518-N630 WeakPolarHBondContact CA-OD1 3.36Å
519C61.4Low56.4Low13 Ų13109 Ų1099%0.08856%0.563CS.*BIsolated β-bridgetrans-112.8138.6171.9-170.90000109F517 G521 M604 E605 N630F517-C519 HydrophobicContact CE1-CB 4.32Å; C519-G521 VanDerWaalsContact C-N 3.32Å; C519-G521 PolarHBondContact O-N 3.02Å; C519-M604 HydrophobicContact CB-CE 3.43Å; C519-M604 VanDerWaalsContact CB-CE 3.43Å; C519-M604 WeakPolarHBondContact SG-CB 3.26Å; C519-M604 WeakPolarHBondContact SG-CE 3.48Å; C519-E605 PolarHBondContact SG-O 3.42Å; C519-N630 HydrophobicContact CB-CB 4.44Å; C519-N630 PolarHBondContact N-OD1 3.07Å
520L54.8Low53.8Low120 Ų120117.1 Ų117.163%0.62860%0.6SS**  trans-78.786177.8-77.1160.8000108.7E605 D607L520-E605 PolarHBondContact N-O 3.13Å; L520-D607 HydrophobicContact CD1-CB 4.03Å; L520-D607 HydrophobicContact CG-CB 3.89Å
521G43.7Very low51.4Low59 Ų59112.6 Ų112.661%0.60860%0.602SS**  trans-100.2132.9168.100000110.7C519C519-G521 VanDerWaalsContact C-N 3.32Å; C519-G521 PolarHBondContact O-N 3.02Å
522V31.8Very low49Very low146 Ų146111.1 Ų111.189%0.88560%0.603SS**  trans-32.8135.1-177.41790000115.2S524V522-S524 PolarHBondContact O-N 3.48Å
523Q28.3Very low46.3Very low185 Ų185118 Ų11886%0.86464%0.635SS**  trans-53126.9169.9-70.1174.8-2100111.6
524S26.9Very low43.7Very low118 Ų118121.1 Ų121.183%0.82565%0.648SS**  trans-134.9113.2146.7600000108.2V522V522-S524 PolarHBondContact O-N 3.48Å
525E29.7Very low41Very low180 Ų180121.8 Ų121.884%0.84166%0.658SS**  trans-53.5131.9173.1-59.2168.9155.200110.5
526E29.1Very low38.5Very low199 Ų199127.7 Ų127.793%0.9369%0.687SS**  trans-168.381146.2-106171.6-154.900108.2
527E29.5Very low35.9Very low190 Ų190125.2 Ų125.289%0.88869%0.686SS**  trans-87.2128.1149.8-76.5-173.1164.300107.5
528M26.4Very low33.3Very low165 Ų165131.6 Ų131.681%0.81372%0.721SS**  170.8133.2121.9-106.5169.447.600113
529S25.3Very low31.3Very low87 Ų87131.7 Ų131.761%0.60874%0.737SS**  trans68.1142.6137.7-52.20000117.5
530E26Very low29.5Very low186 Ų186140 Ų14087%0.86977%0.774SS**  cis-169.2145.915.4-114.5162.7-169.200104
531G25.6Very low28.2Very low77 Ų77140.1 Ų140.179%0.79479%0.785SS**  128.2129.297.400000111.6
532S26.5Very low27.3Very low109 Ų109145.2 Ų145.276%0.76279%0.793SS**  trans-66163.4178.246.20000115.9
533Q27.6Very low27Very low157 Ų157143.2 Ų143.273%0.73478%0.777SS**  trans141.5113.2136.9-77.7-168.9-70.300111.6
534D25.9Very low26.8Very low123 Ų123139.4 Ų139.466%0.65877%0.767SS**  85.5136.5101.2-63.8-19.4000109.5
535T27.5Very low26.7Very low118 Ų118142.9 Ų142.972%0.72476%0.763SS**  cis-177.8155.113.818.20000102.9
536E29.8Very low26.4Very low155 Ų155140 Ų14072%0.72476%0.758SS**  166.9151.868.1-131.6173.3-133.900110
537N25.4Very low26Very low115 Ų115138.1 Ų138.162%0.61575%0.753SS**  trans88.996.7149.5-60.6-25.7000122.4
538D26.4Very low25.8Very low141 Ų141134.5 Ų134.575%0.75475%0.749SS**  60.3117.6109.5-61.1-6.5000121.1
539S28.8Very low25.6Very low123 Ų123131.4 Ų131.486%0.8674%0.743SS**  171150.386.544.70000113.1
540E25.1Very low25.6Very low188 Ų188136.2 Ų136.288%0.87976%0.757SS**  trans-80.2157.9-164.9-57.6163.1146.600114.3
541S26.6Very low25.5Very low121 Ų121136.2 Ų136.285%0.84675%0.753SS**  -170.9112.8121.634.40000112
542E25.5Very low25.4Very low166 Ų166142.2 Ų142.278%0.77676%0.761SS**  trans-60.7161.2158.8-53.4175.4136.400110.2
543N25.8Very low25.2Very low105 Ų105141.7 Ų141.756%0.56175%0.753SS**  -168160.554.3-87.6-65.7000105.7
544T24.3Very low24.9Very low104 Ų104141.8 Ų141.864%0.63875%0.751SS**  169.6121.570.1-51.50000110.1
545Y23.6Very low24.8Very low192 Ų192143 Ų14375%0.75375%0.753SS**  trans48.6145.2143.7-52.4-43.2000121.6
546T22.9Very low24.6Very low118 Ų118142.7 Ų142.772%0.72475%0.747SS**  cis-176130.11.219.70000105.3
547L22.1Very low24.3Very low160 Ų160142.6 Ų142.684%0.83874%0.744SS**  76.5113.896.2-155.588.1000117
548S23.8Very low24.2Very low114 Ų114145.2 Ų145.280%0.79775%0.753SS**  trans-173.4106.9130.6260000106.8
549S23.3Very low23.9Very low100 Ų100143.1 Ų143.170%0.69975%0.749SS**  60122.983.6-161.50000110.4
550E24.8Very low23.6Very low189 Ų189143.1 Ų143.188%0.88374%0.744SS**  -151.7149.555.6-78.2170160.200113.4
551K23.6Very low23.4Very low185 Ų185142.6 Ų142.680%0.80474%0.739SS**  trans-78.5150.4166.8-80170.8168.4173.80110.1V553K551-V553 HydrophobicContact CB-CG2 4.15Å; K551-V553 HydrophobicContact CD-CG2 4.4Å
552E23Very low23.2Very low203 Ų203144 Ų14495%0.94973%0.732SS**  trans-127.3153134.7-77.8-162.3157.900110.1
553V22.8Very low23.1Very low99 Ų99143.7 Ų143.760%0.674%0.735SS**  trans-127.2168.8-151.8-171.40000109.3K551K551-V553 HydrophobicContact CB-CG2 4.15Å; K551-V553 HydrophobicContact CD-CG2 4.4Å
554F22.8Very low23Very low158 Ų158144 Ų14469%0.69375%0.746SS**  trans98106.5157.8-84-97.4000115.7
555E23.5Very low23.2Very low149 Ų149145.1 Ų145.170%0.69676%0.755SS**  83.6142.177-98.7-170.3-156.100111.1
556D22.7Very low23.1Very low111 Ų111139.8 Ų139.859%0.59476%0.758SS**  cis-171.7172.87.3-153.1-1.4000109
557K23.8Very low23.1Very low153 Ų153145.8 Ų145.867%0.66577%0.767SS**  trans91.7109.3147.6-77.2164.8-170.8170.90123.5
558Q22.1Very low23.1Very low171 Ų171142.3 Ų142.380%0.79976%0.761SS**  59.7144.3114.9-78176.6-16.700119
559S21.5Very low23.1Very low96 Ų96142 Ų14267%0.67176%0.759SS**  cis178.4172.5-2.845.80000107.2
560V22.7Very low23Very low124 Ų124145.6 Ų145.675%0.75276%0.764SS**  trans100.3101.2154.2-164.50000119.6
561F20.3Very low23Very low176 Ų176141.2 Ų141.277%0.77275%0.754SS**  38.9124.3125.7-84.2-105.2000122.7
562H22.5Very low23Very low152 Ų152140.4 Ų140.470%0.70476%0.758SS**  trans43.9122.7132.7-75.1-91.2000120.5
563N22.8Very low23.4Very low158 Ų158135.2 Ų135.285%0.84575%0.75SS**  -172.6122.4116.9-90.3-24.2000111.4
564S23.3Very low23.6Very low112 Ų112140 Ų14078%0.78377%0.766SS**  trans-103.5157145.1-510000106.3
565P29.4Very low24Very low128 Ų128137.3 Ų137.383%0.83177%0.773SS**  -155.8157.181.636-14.9000117.8
566G22.2Very low24.1Very low79 Ų79135.5 Ų135.581%0.81478%0.776SS**  trans84152.6143.300000117.6
567R22.3Very low24.4Very low245 Ų245136.1 Ų136.193%0.92579%0.789SS**  cis-174.5132.5-7.6-172.8175.7-174.8174.31.1106.4
568A21.5Very low24.7Very low86 Ų86134.3 Ų134.371%0.71179%0.794SS**  trans52.3125.8152.600000121.9
569S23.6Very low25.2Very low107 Ų107131 Ų13175%0.74880%0.795SS**  156.8140.896.254.70000114.5
570H22.7Very low25.6Very low176 Ų176133.7 Ų133.782%0.81580%0.803SS**  trans69.2112.4150.8-83.7-67.8000123.3
571C23.7Very low25.9Very low97 Ų97136.7 Ų136.766%0.65581%0.805SS**  32.3125.2128.3-51.90000120.1
572D24.3Very low26.2Very low168 Ų168138.7 Ų138.790%0.89881%0.81SS**  -172.6148.697.9-89.3-28.6000112.7
573A31Very low26.4Very low95 Ų95137.5 Ų137.579%0.78582%0.817SS**  trans-76.4142.2-177.300000112.5
574E27.4Very low26.4Very low198 Ų198139.1 Ų139.193%0.92582%0.819SS**  trans-149.6111.7149.1-113.3174.5-164.500110.7
575A30.1Very low26.5Very low102 Ų102139.7 Ų139.784%0.84382%0.818SS**  trans-77.5140.8-177.100000111.8
576C25.3Very low26.3Very low112 Ų112139 Ų13976%0.75782%0.816SS**  trans-87131.9175.2-1600000111.5C578C576-C578 PolarHBondContact O-N 3.46Å
577S30.8Very low26.9Very low123 Ų123140.3 Ų140.386%0.8681%0.811SS**THydrogen-bonded Turntrans-79.762.9-165.258.80000115
578C28.5Very low26.9Very low116 Ų116138.1 Ų138.178%0.78480%0.804SS**THydrogen-bonded Turntrans-124.8-1.6167.750.60000114.6C576 N580C576-C578 PolarHBondContact O-N 3.46Å; C578-N580 PolarHBondContact O-N 3.39Å
579A32.3Very low27Very low100 Ų100142 Ų14283%0.82681%0.807SS**SBendtrans-77.45.4-177.800000115.4
580N31.9Very low27Very low154 Ų154148 Ų14882%0.82481%0.814SS**  trans-137.258.8-161.3-14611.5000115.9C578C578-N580 PolarHBondContact O-N 3.39Å
581K28.2Very low27Very low186 Ų186149.7 Ų149.781%0.80982%0.818SS**SBendtrans-138.9-5.1165.8-95.6-167.6-177.6176.10119.4
582Y26.4Very low27Very low219 Ų219148.8 Ų148.886%0.85983%0.825SS**SBendtrans-146.681.7172-67.7-76.4000111.4
583C25.8Very low27Very low127 Ų127152.7 Ų152.786%0.85883%0.827SS**  trans-179.699.3141.4-950000110.2
584Q24.3Very low26.7Very low191 Ų191153.4 Ų153.489%0.89383%0.827SS**  trans169.1120.2152.9-96.8174.538.900105.1
585T24.4Very low26.6Very low125 Ų125155.4 Ų155.477%0.76783%0.827SS**  cis-169.8142.128.730.40000110.9
586S25Very low26.4Very low112 Ų112153.7 Ų153.778%0.78382%0.82SS**  trans19.3156.3132.6-155.20000121.9
587P34.5Very low26.4Very low108 Ų108153.9 Ų153.970%0.70182%0.822SS**  cis-146.2174.621.941.2-19.5000120
588Y23.3Very low26.2Very low199 Ų199158.7 Ų158.778%0.7882%0.823SS**  trans99.199.9156.8-99-87.3000122.6
589E24.5Very low26.1Very low166 Ų166160 Ų16078%0.77682%0.822SS**  trans48.7117.5145.2-70.5-176.2173.500123.1
590R22.1Very low26.2Very low235 Ų235159.7 Ų159.789%0.88782%0.82SS**  -172116.4105.6-172.5171.2-75.5-176.6-2.2113.5
591K23.9Very low26Very low211 Ų211159.3 Ų159.392%0.91782%0.818SS**  trans32127.6149.3-80.3175.1173.3172.40121.5
592G22.6Very low26.4Very low77 Ų77158.6 Ų158.679%0.79482%0.817SS**  trans174.673.9152.200000118.2
593R24.2Very low27.1Very low250 Ų250156.5 Ų156.594%0.94382%0.821SS**  trans55.3102.1144.8-66.8178.7176.4171.4-1.9121.4
594S25.3Very low28.2Very low111 Ų111156 Ų15678%0.77681%0.807SS**  trans-6.1129.7135.9159.80000118.7
595Y25.2Very low29.6Very low239 Ų239154 Ų15494%0.93780%0.798SS**  trans-145.3122.3133.3-118.9-90.8000111
596G26.8Very low31.4Very low66 Ų66148.9 Ų148.968%0.6877%0.767SS**  trans6492.9146.400000120.1
597S25.1Very low33.4Very low116 Ų116144.8 Ų144.881%0.81174%0.736SS**  trans-88.4123158.5177.30000109.5
598Y26.6Very low35Very low224 Ų224143.6 Ų143.688%0.87872%0.718SS**  trans-119.4121.6155.3-86.2-75.9000109.2
599N26.3Very low36.8Very low144 Ų144141.8 Ų141.877%0.7772%0.721SS**  trans8.2133.9164.2-63-20.2000121.5
600A33.9Very low38.7Very low93 Ų93136.5 Ų136.577%0.76970%0.7SS**  trans-53.4140.9161.100000112.9
601N28.1Very low41.3Very low147 Ų147126.1 Ų126.179%0.78666%0.661SS**  trans-144.2122.4150.9-81.3-25.9000108.9
602E36.7Very low43.9Very low170 Ų170118.1 Ų118.179%0.79463%0.631SS**  trans62.5120.3140.9-62175.4165.400119.9M604E602-M604 PolarHBondContact O-N 3.3Å
603D41Very low46.1Very low175 Ų175119.5 Ų119.594%0.93663%0.634SS**  trans-60.790.3174.7-59.4-51.2000111.1E605D603-E605 PolarHBondContact O-N 3.03Å
604M48.9Very low48.4Very low116 Ų116114.4 Ų114.457%0.57163%0.626SS**  trans-79.398.1170.5-94.4179.481.600109.6C519 E602 N630C519-M604 HydrophobicContact CB-CE 3.43Å; C519-M604 VanDerWaalsContact CB-CE 3.43Å; C519-M604 WeakPolarHBondContact SG-CB 3.26Å; C519-M604 WeakPolarHBondContact SG-CE 3.48Å; E602-M604 PolarHBondContact O-N 3.3Å; M604-N630 HydrophobicContact CE-CB 4.44Å
605E53.7Low51.1Low150 Ų150110 Ų11070%0.70159%0.593SS**  trans-77.6125.7177.2-140.5-175.3-176.400110.6C519 L520 D603C519-E605 PolarHBondContact SG-O 3.42Å; L520-E605 PolarHBondContact N-O 3.13Å; D603-E605 PolarHBondContact O-N 3.03Å
606P62.6Low53.7Low18 Ų18103.2 Ų103.212%0.11757%0.573CS.*BIsolated β-bridgetrans-66.7142.2-177.6-22.734.4000113.3F517 W608 T619F517-P606 HydrophobicContact CE2-CB 4Å; F517-P606 HydrophobicContact CZ-CB 3.76Å; F517-P606 HydrophobicContact CZ-CG 4.2Å; P606-W608 HydrophobicContact CB-CD2 4.01Å; P606-W608 HydrophobicContact CB-CE3 4.18Å; P606-W608 HydrophobicContact CB-CH2 3.75Å; P606-W608 HydrophobicContact CB-CZ2 3.58Å; P606-W608 HydrophobicContact CB-CZ3 4.05Å; P606-W608 HydrophobicContact CG-CH2 3.74Å; P606-W608 HydrophobicContact CG-CZ2 3.44Å; P606-W608 VanDerWaalsContact CG-CZ2 3.44Å; P606-W608 PolarHBondContact O-N 3.48Å; P606-T619 HydrophobicContact CG-CG2 3.66Å
607D65.9Low56.1Low25 Ų25105.4 Ų105.413%0.13457%0.565CS.*  trans-78.884.9172.2-168.12000111.4K518 L520 L609 T610K518-D607 HydrophobicContact CB-CB 4.44Å; K518-D607 WeakPolarHBondContact O-CB 3.33Å; K518-D607 PolarHBondContact O-N 3.02Å; K518-D607 VanDerWaalsContact O-N 3.16Å; L520-D607 HydrophobicContact CD1-CB 4.03Å; L520-D607 HydrophobicContact CG-CB 3.89Å; D607-L609 PolarHBondContact O-N 3.29Å; D607-L609 VanDerWaalsContact O-N 3.1Å; D607-L609 VanDerWaalsContact OD1-CB 3.31Å; D607-L609 WeakPolarHBondContact OD1-CB 3.3Å; D607-L609 PolarHBondContact OD1-N 3.31Å; D607-T610 PolarHBondContact O-N 3.45Å; D607-T610 PolarHBondContact O-OG1 2.78Å
608W67.9Low58.7Low84 Ų84101.7 Ų101.732%0.31854%0.538SS..G310 helixtrans-63.4-13.1179.5-55.9117.3000113.9P606 T610 W611 H617 T619P606-W608 HydrophobicContact CB-CD2 4.01Å; P606-W608 HydrophobicContact CB-CE3 4.18Å; P606-W608 HydrophobicContact CB-CH2 3.75Å; P606-W608 HydrophobicContact CB-CZ2 3.58Å; P606-W608 HydrophobicContact CB-CZ3 4.05Å; P606-W608 HydrophobicContact CG-CH2 3.74Å; P606-W608 HydrophobicContact CG-CZ2 3.44Å; P606-W608 VanDerWaalsContact CG-CZ2 3.44Å; P606-W608 PolarHBondContact O-N 3.48Å; W608-T610 PolarHBondContact O-N 3.05Å; W608-W611 HydrophobicContact CE3-CD2 4.29Å; W608-W611 HydrophobicContact CE3-CE3 4.29Å; W608-W611 HydrophobicContact CE3-CG 4.4Å; W608-W611 HydrophobicContact CZ3-CD2 4.26Å; W608-W611 HydrophobicContact CZ3-CE3 4.13Å; W608-W611 HydrophobicContact CZ3-CZ3 4.33Å; W608-W611 WeakPolarHBondContact O-CB 3.48Å; W608-W611 PolarHBondContact O-N 3.3Å; W608-H617 AromaticContact CD2-CE1 3.82Å; W608-H617 AromaticContact CD2-ND1 3.37Å; W608-H617 AromaticContact CE2-ND1 3.89Å; W608-H617 HydrophobicContact CE3-CB 3.91Å; W608-H617 AromaticContact CE3-CE1 3.86Å; W608-H617 AromaticContact CE3-CG 3.53Å; W608-H617 AromaticContact CE3-ND1 3.38Å; W608-H617 AromaticContact CG-CE1 3.83Å; W608-H617 AromaticContact CG-ND1 3.78Å; W608-H617 HydrophobicContact CH2-CB 3.76Å; W608-H617 HydrophobicContact CZ2-CB 4.33Å; W608-H617 HydrophobicContact CZ3-CB 3.52Å; W608-H617 AromaticContact CZ3-CG 3.71Å; W608-H617 AromaticContact CZ3-ND1 3.94Å; W608-T619 HydrophobicContact CH2-CG2 3.99Å; W608-T619 HydrophobicContact CZ2-CG2 4.3Å
609L61.3Low61Low160 Ų16094.2 Ų94.284%0.83852%0.516SS*.G310 helixtrans-69-24.3176.9-66160.3000112.5D607D607-L609 PolarHBondContact O-N 3.29Å; D607-L609 VanDerWaalsContact O-N 3.1Å; D607-L609 VanDerWaalsContact OD1-CB 3.31Å; D607-L609 WeakPolarHBondContact OD1-CB 3.3Å; D607-L609 PolarHBondContact OD1-N 3.31Å
610T65Low63.6Low55 Ų5592 Ų9234%0.33750%0.501SS..G310 helixtrans-91-2.4177.462.10000113.2D607 W608D607-T610 PolarHBondContact O-N 3.45Å; D607-T610 PolarHBondContact O-OG1 2.78Å; W608-T610 PolarHBondContact O-N 3.05Å
611W76.6Confident66.1Low17 Ų1787.6 Ų87.66%0.06447%0.465CS..SBendtrans-81.5131.8-177.9-154.4-95.1000111.1W515 F517 W608 A613 M615 L616 H617 C618 F628 L634 V642W515-W611 HydrophobicContact CZ2-CD2 4.01Å; W515-W611 AromaticContact CZ2-CE2 3.89Å; W515-W611 HydrophobicContact CZ2-CE3 4.18Å; W515-W611 HydrophobicContact CZ2-CH2 4.16Å; W515-W611 AromaticContact CZ2-CZ2 3.99Å; W515-W611 HydrophobicContact CZ2-CZ2 3.99Å; W515-W611 HydrophobicContact CZ2-CZ3 4.24Å; W515-W611 AromaticContact NE1-CE3 3.77Å; F517-W611 HydrophobicContact CD2-CE3 4.33Å; F517-W611 AromaticContact CD2-CZ3 3.72Å; F517-W611 HydrophobicContact CD2-CZ3 3.72Å; F517-W611 HydrophobicContact CE2-CE3 4.36Å; F517-W611 AromaticContact CE2-CZ3 3.78Å; F517-W611 HydrophobicContact CE2-CZ3 3.78Å; W608-W611 HydrophobicContact CE3-CD2 4.29Å; W608-W611 HydrophobicContact CE3-CE3 4.29Å; W608-W611 HydrophobicContact CE3-CG 4.4Å; W608-W611 HydrophobicContact CZ3-CD2 4.26Å; W608-W611 HydrophobicContact CZ3-CE3 4.13Å; W608-W611 HydrophobicContact CZ3-CZ3 4.33Å; W608-W611 WeakPolarHBondContact O-CB 3.48Å; W608-W611 PolarHBondContact O-N 3.3Å; W611-A613 PolarHBondContact O-N 3.38Å; W611-M615 PolarHBondContact NE1-O 3.11Å; W611-L616 VanDerWaalsContact CZ2-O 3.26Å; W611-L616 WeakPolarHBondContact CZ2-O 3.35Å; W611-L616 PolarHBondContact NE1-O 2.88Å; W611-H617 AromaticContact CD1-CD2 3.64Å; W611-H617 AromaticContact NE1-CD2 3.93Å; W611-C618 WeakPolarHBondContact CH2-O 3.49Å; W611-F628 HydrophobicContact CH2-CD2 4.44Å; W611-F628 HydrophobicContact CH2-CE2 4.13Å; W611-L634 HydrophobicContact CH2-CD1 3.81Å; W611-L634 HydrophobicContact CZ3-CD1 3.67Å; W611-V642 HydrophobicContact CH2-CB 4.17Å; W611-V642 HydrophobicContact CH2-CG1 3.92Å; W611-V642 HydrophobicContact CH2-CG2 4.31Å; W611-V642 HydrophobicContact CZ2-CB 3.78Å; W611-V642 HydrophobicContact CZ2-CG1 3.94Å; W611-V642 HydrophobicContact CZ2-CG2 3.48Å; W611-V642 VanDerWaalsContact CZ2-CG2 3.48Å
612P77.7Confident68.7Low44 Ų4484 Ų8429%0.28645%0.448SS..  trans-63.7135.9177.4-20.831.9000112W515 D614 M615W515-P612 HydrophobicContact CD2-CG 3.76Å; W515-P612 VanDerWaalsContact CE2-CD 3.46Å; W515-P612 HydrophobicContact CE3-CG 3.63Å; W515-P612 HydrophobicContact CG-CG 4.43Å; W515-P612 HydrophobicContact CH2-CG 3.98Å; W515-P612 HydrophobicContact CZ2-CG 4.09Å; W515-P612 HydrophobicContact CZ3-CG 3.76Å; P612-D614 PolarHBondContact O-N 2.86Å; P612-D614 VanDerWaalsContact O-N 3.09Å; P612-M615 HydrophobicContact CB-CB 4.44Å; P612-M615 HydrophobicContact CB-CG 3.88Å; P612-M615 HydrophobicContact CG-CG 4.2Å; P612-M615 WeakPolarHBondContact O-CB 3.43Å; P612-M615 PolarHBondContact O-N 3.18Å
613A69.1Low70.9Confident106 Ų10678.5 Ų78.588%0.87643%0.426SS*.THydrogen-bonded Turntrans-60.3-23.5-17600000114.7W611 M615W611-A613 PolarHBondContact O-N 3.38Å; A613-M615 VanDerWaalsContact C-N 3.28Å; A613-M615 PolarHBondContact O-N 2.88Å
614D73.6Confident72.9Confident143 Ų14372.2 Ų72.277%0.76540%0.395SS*.THydrogen-bonded Turntrans-85.43.8178.5-65.8-27.1000113.3P612 G640P612-D614 PolarHBondContact O-N 2.86Å; P612-D614 VanDerWaalsContact O-N 3.09Å; D614-G640 WeakPolarHBondContact O-CA 3.46Å
615M81.5Confident74.6Confident19 Ų1972.9 Ų72.99%0.09440%0.4CS..SBendtrans-116.5139-172.9-60.3-65.616600112.1P513 W515 W611 P612 A613 G640 V642P513-M615 HydrophobicContact CB-CE 4.31Å; P513-M615 HydrophobicContact CG-CE 3.3Å; W515-M615 HydrophobicContact CH2-CB 4.21Å; W515-M615 HydrophobicContact CH2-CG 3.74Å; W515-M615 HydrophobicContact CH2-SD 4.38Å; W515-M615 HydrophobicContact CZ3-CG 4.21Å; W611-M615 PolarHBondContact NE1-O 3.11Å; P612-M615 HydrophobicContact CB-CB 4.44Å; P612-M615 HydrophobicContact CB-CG 3.88Å; P612-M615 HydrophobicContact CG-CG 4.2Å; P612-M615 WeakPolarHBondContact O-CB 3.43Å; P612-M615 PolarHBondContact O-N 3.18Å; A613-M615 VanDerWaalsContact C-N 3.28Å; A613-M615 PolarHBondContact O-N 2.88Å; M615-G640 CarbonylContact C-O 3.51Å; M615-G640 WeakPolarHBondContact CA-O 3.41Å; M615-V642 HydrophobicContact CB-CG2 3.84Å; M615-V642 HydrophobicContact CG-CG2 4.22Å; M615-V642 HydrophobicContact SD-CG2 4.17Å
616L80.6Confident75.8Confident95 Ų9571.6 Ų71.650%0.49739%0.394SS..  trans-73.3140.3175.9-63.7173.1000110W611 C618 G640W611-L616 VanDerWaalsContact CZ2-O 3.26Å; W611-L616 WeakPolarHBondContact CZ2-O 3.35Å; W611-L616 PolarHBondContact NE1-O 2.88Å; L616-C618 PolarHBondContact O-N 3.29Å; L616-G640 PolarHBondContact N-O 3.42Å
617H75.8Confident76.7Confident113 Ų11375.9 Ų75.952%0.52342%0.416SS..  trans-72.9124.4177.8-67.4-161.8000109.5W608 W611W608-H617 AromaticContact CD2-CE1 3.82Å; W608-H617 AromaticContact CD2-ND1 3.37Å; W608-H617 AromaticContact CE2-ND1 3.89Å; W608-H617 HydrophobicContact CE3-CB 3.91Å; W608-H617 AromaticContact CE3-CE1 3.86Å; W608-H617 AromaticContact CE3-CG 3.53Å; W608-H617 AromaticContact CE3-ND1 3.38Å; W608-H617 AromaticContact CG-CE1 3.83Å; W608-H617 AromaticContact CG-ND1 3.78Å; W608-H617 HydrophobicContact CH2-CB 3.76Å; W608-H617 HydrophobicContact CZ2-CB 4.33Å; W608-H617 HydrophobicContact CZ3-CB 3.52Å; W608-H617 AromaticContact CZ3-CG 3.71Å; W608-H617 AromaticContact CZ3-ND1 3.94Å; W611-H617 AromaticContact CD1-CD2 3.64Å; W611-H617 AromaticContact NE1-CD2 3.93Å
618C79.5Confident77.4Confident37 Ų3775.3 Ų75.325%0.2541%0.412CS..  trans-148.2151.1173.159.60000110.1W611 L616 F628W611-C618 WeakPolarHBondContact CH2-O 3.49Å; L616-C618 PolarHBondContact O-N 3.29Å; C618-F628 WeakPolarHBondContact O-CD2 3.39Å; C618-F628 VanDerWaalsContact O-CE2 3.3Å; C618-F628 WeakPolarHBondContact O-CE2 3.28Å
619T76.4Confident77.8Confident67 Ų6778 Ų7841%0.41143%0.429SS..SBendtrans-110.4-9.3-17651.70000113.3P606 W608 N627 F628P606-T619 HydrophobicContact CG-CG2 3.66Å; W608-T619 HydrophobicContact CH2-CG2 3.99Å; W608-T619 HydrophobicContact CZ2-CG2 4.3Å; T619-N627 WeakPolarHBondContact O-CA 3.42Å; T619-F628 VanDerWaalsContact C-CD2 3.49Å; T619-F628 PolarHBondContact O-N 2.88Å
620E81Confident78.6Confident98 Ų9875 Ų7546%0.45841%0.414SS..EExtended strand (participates in β ladder)trans-131.1150.9-177.764.4177.5-17300111.9E626E620-E626 WeakPolarHBondContact CA-O 3.29Å
621C86.3Confident78.9Confident0 Ų074 Ų740%041%0.414CS..EExtended strand (participates in β ladder)trans-92.1114173.3-173.70000110.7V623 C624 L625 E626 F628 H644C621-V623 PolarHBondContact O-N 3.06Å; C621-C624 PolarHBondContact O-N 3.32Å; C621-L625 WeakPolarHBondContact O-CA 3.46Å; C621-L625 PolarHBondContact O-N 2.92Å; C621-E626 PolarHBondContact N-O 2.74Å; C621-F628 HydrophobicContact CB-CE1 3.77Å; C621-F628 HydrophobicContact CB-CZ 4.34Å; C621-H644 WeakPolarHBondContact CB-ND1 3.47Å
622V82.4Confident79.1Confident73 Ų7374.8 Ų74.844%0.44242%0.421SS..THydrogen-bonded Turntrans-65.2-12.5-178.8-174.50000113.8F643 V661V622-F643 HydrophobicContact CB-CE1 4.42Å; V622-V661 HydrophobicContact CB-CG2 4.26Å; V622-V661 HydrophobicContact CG1-CG2 4.43Å; V622-V661 HydrophobicContact CG2-CG2 4.06Å
623V82.2Confident79.4Confident54 Ų5475.9 Ų75.933%0.32743%0.425SS..THydrogen-bonded Turntrans-84.2-44.7179.3-1800000112C621 F643 C647 P660C621-V623 PolarHBondContact O-N 3.06Å; V623-F643 HydrophobicContact CG2-CD1 3.83Å; V623-F643 HydrophobicContact CG2-CE1 4.21Å; V623-C647 HydrophobicContact CB-CB 3.91Å; V623-C647 HydrophobicContact CG1-CB 3.83Å; V623-P660 HydrophobicContact CG2-CB 4.33Å; V623-P660 HydrophobicContact CG2-CG 3.93Å
624C83.6Confident80.1Confident42 Ų4270.8 Ų70.828%0.28438%0.383SS..THydrogen-bonded Turntrans-101.2-10.6176.960.70000113.9C621 E626 H644C621-C624 PolarHBondContact O-N 3.32Å; C624-E626 HydrophobicContact CB-CG 4.39Å; C624-E626 PolarHBondContact O-N 3.21Å; C624-H644 PolarHBondContact SG-ND1 3.05Å
625L83.2Confident80.7Confident131 Ų13164.2 Ų64.269%0.68635%0.347SS*.THydrogen-bonded Turntrans62.223.3-175.8-50.8173.6000113.8C621C621-L625 WeakPolarHBondContact O-CA 3.46Å; C621-L625 PolarHBondContact O-N 2.92Å
626E80.4Confident80.9Confident122 Ų12263.3 Ų63.357%0.5734%0.343SS*.EExtended strand (participates in β ladder)trans-102.8148.2177.4-63.6168.5165.200111.2E620 C621 C624E620-E626 WeakPolarHBondContact CA-O 3.29Å; C621-E626 PolarHBondContact N-O 2.74Å; C624-E626 HydrophobicContact CB-CG 4.39Å; C624-E626 PolarHBondContact O-N 3.21Å
627N79.9Confident81.2Confident109 Ų10958.8 Ų58.858%0.58332%0.319SS*.EExtended strand (participates in β ladder)trans-69.7151.1174-71.4-30.6000111.3T619 E629T619-N627 WeakPolarHBondContact O-CA 3.42Å; N627-E629 PolarHBondContact O-N 3.01Å
628F81.1Confident81.5Confident12 Ų1255.3 Ų55.35%0.05331%0.307CS..PPolyproline II helixtrans-72.5123.1174.6-59.6-47.7000111F517 W611 C618 T619 C621 L634 H644F517-F628 HydrophobicContact CD1-CB 3.59Å; F517-F628 HydrophobicContact CD2-CB 4.39Å; F517-F628 HydrophobicContact CE1-CB 3.71Å; F517-F628 VanDerWaalsContact CE1-O 3.29Å; F517-F628 WeakPolarHBondContact CE1-O 3.48Å; F517-F628 HydrophobicContact CE2-CB 4.49Å; F517-F628 HydrophobicContact CG-CB 3.94Å; F517-F628 HydrophobicContact CZ-CB 4.15Å; W611-F628 HydrophobicContact CH2-CD2 4.44Å; W611-F628 HydrophobicContact CH2-CE2 4.13Å; C618-F628 WeakPolarHBondContact O-CD2 3.39Å; C618-F628 VanDerWaalsContact O-CE2 3.3Å; C618-F628 WeakPolarHBondContact O-CE2 3.28Å; T619-F628 VanDerWaalsContact C-CD2 3.49Å; T619-F628 PolarHBondContact O-N 2.88Å; C621-F628 HydrophobicContact CB-CE1 3.77Å; C621-F628 HydrophobicContact CB-CZ 4.34Å; F628-L634 HydrophobicContact CD1-CD1 4.33Å; F628-L634 HydrophobicContact CD1-CD2 3.31Å; F628-L634 HydrophobicContact CD1-CG 4.46Å; F628-L634 HydrophobicContact CD2-CD1 4.08Å; F628-L634 HydrophobicContact CD2-CD2 4.49Å; F628-L634 HydrophobicContact CE1-CD1 4.47Å; F628-L634 HydrophobicContact CE1-CD2 3.42Å; F628-L634 VanDerWaalsContact CE1-CD2 3.42Å; F628-L634 HydrophobicContact CE2-CD1 4.23Å; F628-L634 HydrophobicContact CG-CD1 4.14Å; F628-L634 HydrophobicContact CG-CD2 3.9Å; F628-L634 HydrophobicContact CZ-CD1 4.43Å; F628-L634 HydrophobicContact CZ-CD2 4.1Å; F628-H644 AromaticContact CD1-CD2 3.79Å; F628-H644 AromaticContact CD1-CE1 3.98Å; F628-H644 AromaticContact CD1-NE2 3.42Å; F628-H644 WeakPolarHBondContact CD1-NE2 3.48Å; F628-H644 AromaticContact CE1-NE2 3.98Å
629E77.3Confident81.7Confident142 Ų14254.3 Ų54.366%0.66430%0.3SS*.PPolyproline II helixtrans-91.1155.8175.1-56.9-178.2169.900111.8F517 N627 G631 C632F517-E629 WeakPolarHBondContact CD1-O 3.46Å; N627-E629 PolarHBondContact O-N 3.01Å; E629-G631 PolarHBondContact O-N 2.88Å; E629-C632 VanDerWaalsContact O-CB 3.32Å; E629-C632 WeakPolarHBondContact O-CB 3.49Å; E629-C632 PolarHBondContact O-N 2.91Å; E629-C632 VanDerWaalsContact O-N 3.14Å; E629-C632 PolarHBondContact O-SG 2.98Å; E629-C632 VanDerWaalsContact O-SG 3.4Å
630N76.9Confident82Confident97 Ų9751.3 Ų51.352%0.51928%0.282SS..THydrogen-bonded Turntrans-61.3126179.5-165.814.6000110.6F517 K518 C519 M604F517-N630 PolarHBondContact O-OD1 3.49Å; K518-N630 WeakPolarHBondContact CA-OD1 3.36Å; C519-N630 HydrophobicContact CB-CB 4.44Å; C519-N630 PolarHBondContact N-OD1 3.07Å; M604-N630 HydrophobicContact CE-CB 4.44Å
631G71.2Confident82.3Confident33 Ų3348.4 Ų48.434%0.3427%0.269SS..THydrogen-bonded Turntrans91.7-6.7-17800000115.5F517 E629F517-G631 WeakPolarHBondContact O-CA 3.5Å; F517-G631 PolarHBondContact O-N 3.37Å; E629-G631 PolarHBondContact O-N 2.88Å
632C81.5Confident82.2Confident33 Ų3348.6 Ų48.622%0.22327%0.27CS..PPolyproline II helixtrans-63.3141.9176.7-73.30000112.5R516 F517 E629 L634R516-C632 CarbonylContact C-O 3.53Å; R516-C632 WeakPolarHBondContact CA-O 3.18Å; F517-C632 PolarHBondContact N-O 3.45Å; E629-C632 VanDerWaalsContact O-CB 3.32Å; E629-C632 WeakPolarHBondContact O-CB 3.49Å; E629-C632 PolarHBondContact O-N 2.91Å; E629-C632 VanDerWaalsContact O-N 3.14Å; E629-C632 PolarHBondContact O-SG 2.98Å; E629-C632 VanDerWaalsContact O-SG 3.4Å; C632-L634 PolarHBondContact O-N 3.5Å
633L83Confident82.5Confident67 Ų6745.1 Ų45.135%0.35125%0.249SC..EExtended strand (participates in β ladder)trans-82.7116.1174.3-74.1165.7000110.4R516 Q645R516-L633 HydrophobicContact CG-CD2 3.55Å; R516-L633 HydrophobicContact CG-CG 4.31Å; L633-Q645 HydrophobicContact CB-CB 4.17Å; L633-Q645 PolarHBondContact O-N 3.44Å
634L85.6Confident82.8Confident0 Ų043.7 Ų43.70%024%0.239CC..EExtended strand (participates in β ladder)trans-101.4148176.4-56.3-171.3000110.3M514 W515 F517 W611 F628 C632 V642 F643M514-L634 VanDerWaalsContact CA-O 3.23Å; M514-L634 WeakPolarHBondContact CA-O 3.49Å; W515-L634 HydrophobicContact CD2-CB 4.4Å; W515-L634 HydrophobicContact CZ2-CB 4.27Å; W515-L634 HydrophobicContact CZ2-CD1 4.46Å; W515-L634 PolarHBondContact N-O 3.16Å; W515-L634 VanDerWaalsContact N-O 3.1Å; W515-L634 PolarHBondContact O-N 3.3Å; F517-L634 HydrophobicContact CB-CD1 3.79Å; F517-L634 HydrophobicContact CB-CG 4.03Å; F517-L634 HydrophobicContact CD2-CD1 3.87Å; F517-L634 HydrophobicContact CG-CD1 4.11Å; W611-L634 HydrophobicContact CH2-CD1 3.81Å; W611-L634 HydrophobicContact CZ3-CD1 3.67Å; F628-L634 HydrophobicContact CD1-CD1 4.33Å; F628-L634 HydrophobicContact CD1-CD2 3.31Å; F628-L634 HydrophobicContact CD1-CG 4.46Å; F628-L634 HydrophobicContact CD2-CD1 4.08Å; F628-L634 HydrophobicContact CD2-CD2 4.49Å; F628-L634 HydrophobicContact CE1-CD1 4.47Å; F628-L634 HydrophobicContact CE1-CD2 3.42Å; F628-L634 VanDerWaalsContact CE1-CD2 3.42Å; F628-L634 HydrophobicContact CE2-CD1 4.23Å; F628-L634 HydrophobicContact CG-CD1 4.14Å; F628-L634 HydrophobicContact CG-CD2 3.9Å; F628-L634 HydrophobicContact CZ-CD1 4.43Å; F628-L634 HydrophobicContact CZ-CD2 4.1Å; C632-L634 PolarHBondContact O-N 3.5Å; L634-V642 HydrophobicContact CB-CG1 3.77Å; L634-V642 HydrophobicContact CD1-CG1 3.97Å; L634-V642 HydrophobicContact CG-CG1 4.39Å; L634-F643 CarbonylContact C-O 3.59Å; L634-F643 WeakPolarHBondContact CA-O 3.38Å
635M84.7Confident82.9Confident4 Ų444 Ų442%0.0224%0.236CC..EExtended strand (participates in β ladder)trans-129.1127.2176.2-179.4179.5-75.900109.7L512 P513 M514 F643 Q645 I648 V649L512-M635 HydrophobicContact CB-CE 4.48Å; L512-M635 HydrophobicContact CB-CG 3.9Å; L512-M635 HydrophobicContact CB-SD 3.99Å; L512-M635 HydrophobicContact CD1-CG 4.3Å; L512-M635 HydrophobicContact CD1-SD 3.74Å; P513-M635 WeakPolarHBondContact O-CA 3.4Å; M514-M635 HydrophobicContact CG-CE 4.34Å; M514-M635 HydrophobicContact SD-CE 4.09Å; M635-F643 PolarHBondContact N-O 3.42Å; M635-F643 PolarHBondContact O-N 3.42Å; M635-Q645 HydrophobicContact CB-CB 4.45Å; M635-Q645 HydrophobicContact CE-CG 3.95Å; M635-I648 HydrophobicContact CB-CG2 3.77Å; M635-I648 HydrophobicContact CG-CG2 3.9Å; M635-I648 HydrophobicContact SD-CG2 3.48Å; M635-I648 WeakPolarHBondContact SD-CG2 3.35Å; M635-V649 HydrophobicContact CE-CG2 3.93Å; M635-V649 HydrophobicContact SD-CG2 4.1Å
636G86.4Confident82.9Confident0 Ų043.7 Ų43.70%024%0.235CC..EExtended strand (participates in β ladder)trans-98141.2179.800000112.4P513P513-G636 WeakPolarHBondContact CD-O 3.42Å; P513-G636 PolarHBondContact O-N 2.93Å
637L87.1Confident83.1Confident0 Ų039.1 Ų39.10%022%0.216CC..  trans-94.2158.5172.2-66.8-177.3000111.7L512 C639 G640 H641 F643 I648 L652 C659L512-L637 HydrophobicContact CD1-CD2 3.83Å; L512-L637 HydrophobicContact CD2-CD2 4.29Å; L637-C639 PolarHBondContact O-N 3.36Å; L637-G640 PolarHBondContact O-N 3.3Å; L637-H641 PolarHBondContact N-O 3.48Å; L637-F643 HydrophobicContact CD1-CD2 4.43Å; L637-F643 HydrophobicContact CD1-CE2 3.82Å; L637-F643 HydrophobicContact CG-CD2 4.46Å; L637-F643 HydrophobicContact CG-CE2 4.2Å; L637-I648 HydrophobicContact CD1-CD1 4.07Å; L637-I648 HydrophobicContact CD1-CG1 4.45Å; L637-I648 HydrophobicContact CD2-CG1 4.16Å; L637-I648 HydrophobicContact CG-CG1 4.41Å; L637-L652 HydrophobicContact CD2-CD1 4.24Å; L637-C659 HydrophobicContact CD1-CB 3.64Å
638P82.5Confident83.3Confident40 Ų4034 Ų3426%0.2619%0.188SC..THydrogen-bonded Turntrans-64.7-0.4179.6-21.634000116.1L512 S666 K669 K670L512-P638 HydrophobicContact CD2-CG 4.21Å; P638-S666 WeakPolarHBondContact CD-O 3.2Å; P638-S666 WeakPolarHBondContact CG-O 3.21Å; P638-K669 HydrophobicContact CB-CG 4.14Å; P638-K670 PolarHBondContact O-N 3.31Å
639C82.9Confident83.5Confident16 Ų1635.8 Ų35.811%0.10820%0.201CC..THydrogen-bonded Turntrans-96.5-2.6173.263.40000113.1L637 H641 W664L637-C639 PolarHBondContact O-N 3.36Å; C639-H641 PolarHBondContact SG-ND1 3.49Å; C639-H641 VanDerWaalsContact SG-ND1 3.38Å; C639-W664 HydrophobicContact CB-CB 3.82Å; C639-W664 HydrophobicContact CB-CG 4.14Å
640G81.8Confident83.8Confident4 Ų436.2 Ų36.24%0.04120%0.204CC..SBendtrans94.3-10.3179.500000115.3D614 M615 L616 L637D614-G640 WeakPolarHBondContact O-CA 3.46Å; M615-G640 CarbonylContact C-O 3.51Å; M615-G640 WeakPolarHBondContact CA-O 3.41Å; L616-G640 PolarHBondContact N-O 3.42Å; L637-G640 PolarHBondContact O-N 3.3Å
641H87.3Confident84.1Confident37 Ų3735.1 Ų35.117%0.17119%0.193CC..  trans-79.5144.8179.9-63.598000112.4L637 C639 F643 V661 C662L637-H641 PolarHBondContact N-O 3.48Å; C639-H641 PolarHBondContact SG-ND1 3.49Å; C639-H641 VanDerWaalsContact SG-ND1 3.38Å; H641-F643 HydrophobicContact CB-CE2 3.75Å; H641-F643 HydrophobicContact CB-CZ 3.86Å; H641-V661 WeakPolarHBondContact NE2-CG1 3.35Å; H641-C662 VanDerWaalsContact CE1-SG 3.59Å; H641-C662 PolarHBondContact ND1-SG 3.21Å
642V85.9Confident84.6Confident4 Ų433.6 Ų33.62%0.02418%0.177CC..EExtended strand (participates in β ladder)trans-120.8141.7-172.9-173.80000111.1W515 W611 M615 L634W515-V642 HydrophobicContact CH2-CB 4.22Å; W515-V642 HydrophobicContact CH2-CG1 3.57Å; W515-V642 HydrophobicContact CH2-CG2 3.57Å; W515-V642 HydrophobicContact CZ2-CB 4.4Å; W515-V642 HydrophobicContact CZ2-CG1 3.58Å; W515-V642 HydrophobicContact CZ2-CG2 3.92Å; W611-V642 HydrophobicContact CH2-CB 4.17Å; W611-V642 HydrophobicContact CH2-CG1 3.92Å; W611-V642 HydrophobicContact CH2-CG2 4.31Å; W611-V642 HydrophobicContact CZ2-CB 3.78Å; W611-V642 HydrophobicContact CZ2-CG1 3.94Å; W611-V642 HydrophobicContact CZ2-CG2 3.48Å; W611-V642 VanDerWaalsContact CZ2-CG2 3.48Å; M615-V642 HydrophobicContact CB-CG2 3.84Å; M615-V642 HydrophobicContact CG-CG2 4.22Å; M615-V642 HydrophobicContact SD-CG2 4.17Å; L634-V642 HydrophobicContact CB-CG1 3.77Å; L634-V642 HydrophobicContact CD1-CG1 3.97Å; L634-V642 HydrophobicContact CG-CG1 4.39Å
643F88.9Confident84.3Confident1 Ų135.2 Ų35.20%0.00419%0.193CC..EExtended strand (participates in β ladder)trans-143.5165.6-178.1-53.5-85.7000110.5V622 V623 L634 M635 L637 H641 Q645 I648 P660 V661V622-F643 HydrophobicContact CB-CE1 4.42Å; V623-F643 HydrophobicContact CG2-CD1 3.83Å; V623-F643 HydrophobicContact CG2-CE1 4.21Å; L634-F643 CarbonylContact C-O 3.59Å; L634-F643 WeakPolarHBondContact CA-O 3.38Å; M635-F643 PolarHBondContact N-O 3.42Å; M635-F643 PolarHBondContact O-N 3.42Å; L637-F643 HydrophobicContact CD1-CD2 4.43Å; L637-F643 HydrophobicContact CD1-CE2 3.82Å; L637-F643 HydrophobicContact CG-CD2 4.46Å; L637-F643 HydrophobicContact CG-CE2 4.2Å; H641-F643 HydrophobicContact CB-CE2 3.75Å; H641-F643 HydrophobicContact CB-CZ 3.86Å; F643-Q645 PolarHBondContact O-N 3.21Å; F643-I648 HydrophobicContact CB-CB 3.85Å; F643-I648 HydrophobicContact CB-CG2 4.29Å; F643-I648 HydrophobicContact CD2-CB 4.26Å; F643-I648 HydrophobicContact CD2-CD1 3.83Å; F643-I648 HydrophobicContact CD2-CG1 4Å; F643-I648 HydrophobicContact CE2-CD1 4.14Å; F643-I648 HydrophobicContact CG-CB 4.24Å; F643-I648 HydrophobicContact CG-CD1 4.23Å; F643-I648 HydrophobicContact CG-CG1 4.43Å; F643-P660 HydrophobicContact CE1-CB 4.12Å; F643-P660 HydrophobicContact CE1-CG 3.94Å; F643-P660 HydrophobicContact CZ-CB 4.23Å; F643-P660 HydrophobicContact CZ-CG 3.92Å; F643-V661 HydrophobicContact CE1-CG2 4Å; F643-V661 HydrophobicContact CZ-CG2 3.86Å
644H87Confident83.7Confident24 Ų2434.8 Ų34.811%0.11121%0.205CC..EExtended strand (participates in β ladder)trans-58.4137.2163.6-67.8129.7000110.4C621 C624 F628 N646 C647 I648C621-H644 WeakPolarHBondContact CB-ND1 3.47Å; C624-H644 PolarHBondContact SG-ND1 3.05Å; F628-H644 AromaticContact CD1-CD2 3.79Å; F628-H644 AromaticContact CD1-CE1 3.98Å; F628-H644 AromaticContact CD1-NE2 3.42Å; F628-H644 WeakPolarHBondContact CD1-NE2 3.48Å; F628-H644 AromaticContact CE1-NE2 3.98Å; H644-N646 VanDerWaalsContact C-N 3.32Å; H644-N646 PolarHBondContact O-N 3.02Å; H644-C647 HydrophobicContact CB-CB 4.02Å; H644-C647 PolarHBondContact O-N 2.85Å; H644-C647 VanDerWaalsContact O-N 3.16Å; H644-I648 PolarHBondContact O-N 3.16Å; H644-I648 VanDerWaalsContact O-N 3.07Å
645Q85.6Confident82.8Confident48 Ų4837.3 Ų37.322%0.22423%0.231CC..Hα-helixtrans-50.4-51.6179.6174.6176.512.700111.8L633 M635 F643 C647 I648 V649L633-Q645 HydrophobicContact CB-CB 4.17Å; L633-Q645 PolarHBondContact O-N 3.44Å; M635-Q645 HydrophobicContact CB-CB 4.45Å; M635-Q645 HydrophobicContact CE-CG 3.95Å; F643-Q645 PolarHBondContact O-N 3.21Å; Q645-C647 PolarHBondContact O-N 2.99Å; Q645-I648 WeakPolarHBondContact O-CG2 3.37Å; Q645-I648 PolarHBondContact O-N 3.41Å; Q645-V649 HydrophobicContact CG-CG2 4.32Å; Q645-V649 WeakPolarHBondContact O-CB 3.1Å; Q645-V649 WeakPolarHBondContact O-CG2 3.43Å; Q645-V649 PolarHBondContact O-N 2.85Å
646N83.9Confident82.3Confident125 Ų12543.9 Ų43.967%0.66826%0.255SS*.Hα-helixtrans-63.6-41.9-177.3-70.3-1.9000112H644 I648 V649 M650H644-N646 VanDerWaalsContact C-N 3.32Å; H644-N646 PolarHBondContact O-N 3.02Å; N646-I648 PolarHBondContact O-N 3.19Å; N646-V649 PolarHBondContact O-N 3.5Å; N646-M650 WeakPolarHBondContact O-CG 3.45Å; N646-M650 PolarHBondContact O-N 3.32Å
647C84.4Confident82.1Confident26 Ų2645.6 Ų45.618%0.17626%0.263CS..Hα-helixtrans-62.8-45.9-178.9-640000112V623 H644 Q645 W651V623-C647 HydrophobicContact CB-CB 3.91Å; V623-C647 HydrophobicContact CG1-CB 3.83Å; H644-C647 HydrophobicContact CB-CB 4.02Å; H644-C647 PolarHBondContact O-N 2.85Å; H644-C647 VanDerWaalsContact O-N 3.16Å; Q645-C647 PolarHBondContact O-N 2.99Å; C647-W651 WeakPolarHBondContact O-CB 3.33Å; C647-W651 PolarHBondContact O-N 2.83Å; C647-W651 VanDerWaalsContact O-N 3.13Å
648I84.7Confident82Confident0 Ų047.5 Ų47.50%028%0.276CS..Hα-helixtrans-77.1-32.5-178.2-16661.5000112.4M635 L637 F643 H644 Q645 N646 W651 L652 P660M635-I648 HydrophobicContact CB-CG2 3.77Å; M635-I648 HydrophobicContact CG-CG2 3.9Å; M635-I648 HydrophobicContact SD-CG2 3.48Å; M635-I648 WeakPolarHBondContact SD-CG2 3.35Å; L637-I648 HydrophobicContact CD1-CD1 4.07Å; L637-I648 HydrophobicContact CD1-CG1 4.45Å; L637-I648 HydrophobicContact CD2-CG1 4.16Å; L637-I648 HydrophobicContact CG-CG1 4.41Å; F643-I648 HydrophobicContact CB-CB 3.85Å; F643-I648 HydrophobicContact CB-CG2 4.29Å; F643-I648 HydrophobicContact CD2-CB 4.26Å; F643-I648 HydrophobicContact CD2-CD1 3.83Å; F643-I648 HydrophobicContact CD2-CG1 4Å; F643-I648 HydrophobicContact CE2-CD1 4.14Å; F643-I648 HydrophobicContact CG-CB 4.24Å; F643-I648 HydrophobicContact CG-CD1 4.23Å; F643-I648 HydrophobicContact CG-CG1 4.43Å; H644-I648 PolarHBondContact O-N 3.16Å; H644-I648 VanDerWaalsContact O-N 3.07Å; Q645-I648 WeakPolarHBondContact O-CG2 3.37Å; Q645-I648 PolarHBondContact O-N 3.41Å; N646-I648 PolarHBondContact O-N 3.19Å; I648-W651 HydrophobicContact CD1-CB 4.29Å; I648-W651 HydrophobicContact CD1-CG 4.4Å; I648-W651 WeakPolarHBondContact O-CB 3.25Å; I648-W651 PolarHBondContact O-N 3.01Å; I648-L652 HydrophobicContact CD1-CG 4.39Å; I648-L652 HydrophobicContact CG1-CD1 4.15Å; I648-L652 HydrophobicContact CG1-CG 4.26Å; I648-L652 WeakPolarHBondContact O-CB 3.32Å; I648-L652 VanDerWaalsContact O-CG 3.28Å; I648-L652 WeakPolarHBondContact O-CG 3.16Å; I648-L652 PolarHBondContact O-N 3.08Å; I648-P660 HydrophobicContact CD1-CG 3.97Å
649V83.9Confident82Confident51 Ų5145.6 Ų45.631%0.30926%0.264SS..Hα-helixtrans-63.8-45.3174.4170.40000110.4I509 M635 Q645 N646 W651 L652 A653I509-V649 HydrophobicContact CG2-CG2 4.06Å; M635-V649 HydrophobicContact CE-CG2 3.93Å; M635-V649 HydrophobicContact SD-CG2 4.1Å; Q645-V649 HydrophobicContact CG-CG2 4.32Å; Q645-V649 WeakPolarHBondContact O-CB 3.1Å; Q645-V649 WeakPolarHBondContact O-CG2 3.43Å; Q645-V649 PolarHBondContact O-N 2.85Å; N646-V649 PolarHBondContact O-N 3.5Å; V649-W651 VanDerWaalsContact C-N 3.31Å; V649-W651 PolarHBondContact O-N 3.1Å; V649-L652 PolarHBondContact O-N 3.21Å; V649-A653 WeakPolarHBondContact O-CB 3.23Å; V649-A653 PolarHBondContact O-N 3.48Å
650M83.6Confident82.1Confident150 Ų15046.5 Ų46.574%0.73927%0.27SS*.Hα-helixtrans-61.9-39.8175-70.8-141.1-59.800112.2N646 G654N646-M650 WeakPolarHBondContact O-CG 3.45Å; N646-M650 PolarHBondContact O-N 3.32Å; M650-G654 PolarHBondContact O-N 2.97Å
651W83.3Confident82.1Confident75 Ų7549.6 Ų49.628%0.28429%0.288SS..Hα-helixtrans-62.1-46.1177-179.9-91.5000112.7C647 I648 V649 G654 R656 C658 P660C647-W651 WeakPolarHBondContact O-CB 3.33Å; C647-W651 PolarHBondContact O-N 2.83Å; C647-W651 VanDerWaalsContact O-N 3.13Å; I648-W651 HydrophobicContact CD1-CB 4.29Å; I648-W651 HydrophobicContact CD1-CG 4.4Å; I648-W651 WeakPolarHBondContact O-CB 3.25Å; I648-W651 PolarHBondContact O-N 3.01Å; V649-W651 VanDerWaalsContact C-N 3.31Å; V649-W651 PolarHBondContact O-N 3.1Å; W651-G654 PolarHBondContact O-N 2.85Å; W651-R656 HydrophobicContact CZ2-CB 4.38Å; W651-R656 VanDerWaalsContact CZ3-NH1 3.29Å; W651-C658 PolarHBondContact NE1-O 3.48Å; W651-P660 HydrophobicContact CD2-CG 4.11Å; W651-P660 HydrophobicContact CG-CG 4.15Å; W651-P660 HydrophobicContact CZ2-CB 4.48Å; W651-P660 HydrophobicContact CZ2-CG 4.42Å
652L81.6Confident81.7Confident0 Ų050.1 Ų50.10%030%0.295CS..Hα-helixtrans-73.5-35.3-179.9-64.6177.4000112.1I509 L512 L637 I648 V649 G654 G655 R656 S666I509-L652 HydrophobicContact CD1-CB 3.61Å; I509-L652 HydrophobicContact CD1-CD1 4.32Å; I509-L652 HydrophobicContact CG1-CB 4.22Å; I509-L652 HydrophobicContact CG1-CD1 4Å; I509-L652 HydrophobicContact CG2-CD1 4.36Å; L512-L652 HydrophobicContact CD1-CD1 3.96Å; L637-L652 HydrophobicContact CD2-CD1 4.24Å; I648-L652 HydrophobicContact CD1-CG 4.39Å; I648-L652 HydrophobicContact CG1-CD1 4.15Å; I648-L652 HydrophobicContact CG1-CG 4.26Å; I648-L652 WeakPolarHBondContact O-CB 3.32Å; I648-L652 VanDerWaalsContact O-CG 3.28Å; I648-L652 WeakPolarHBondContact O-CG 3.16Å; I648-L652 PolarHBondContact O-N 3.08Å; V649-L652 PolarHBondContact O-N 3.21Å; L652-G654 VanDerWaalsContact C-N 3.29Å; L652-G654 PolarHBondContact O-N 3.17Å; L652-G655 PolarHBondContact O-N 3.28Å; L652-R656 WeakPolarHBondContact CD2-O 3.34Å; L652-S666 WeakPolarHBondContact CD2-OG 3.38Å
653A76.5Confident81.5Confident68 Ų6859.7 Ų59.756%0.56233%0.33SS*.Hα-helixtrans-67.5-29175.300000112.4V649 G655V649-A653 WeakPolarHBondContact O-CB 3.23Å; V649-A653 PolarHBondContact O-N 3.48Å; A653-G655 PolarHBondContact O-N 3.28Å
654G70Confident81.1Confident58 Ų5864.4 Ų64.460%0.59835%0.348SS*.THydrogen-bonded Turntrans-72.518.4173.600000115.3M650 W651 L652 R656M650-G654 PolarHBondContact O-N 2.97Å; W651-G654 PolarHBondContact O-N 2.85Å; L652-G654 VanDerWaalsContact C-N 3.29Å; L652-G654 PolarHBondContact O-N 3.17Å; G654-R656 PolarHBondContact O-N 3.4Å
655G67.2Low80.9Confident53 Ų5365 Ų6555%0.54635%0.354SS..THydrogen-bonded Turntrans824.4175.400000115.7L652 A653L652-G655 PolarHBondContact O-N 3.28Å; A653-G655 PolarHBondContact O-N 3.28Å
656R73.9Confident80.7Confident142 Ų14262.9 Ų62.954%0.53634%0.344SS..  trans-100.683.7-178.6-61.3179-175.7-178.80.9110.7W651 L652 G654 C658W651-R656 HydrophobicContact CZ2-CB 4.38Å; W651-R656 VanDerWaalsContact CZ3-NH1 3.29Å; L652-R656 WeakPolarHBondContact CD2-O 3.34Å; G654-R656 PolarHBondContact O-N 3.4Å; R656-C658 PolarHBondContact O-N 3.09Å
657H81.8Confident80.4Confident35 Ų3561.3 Ų61.316%0.16233%0.33CS..  trans-75.840.9-178.5-58.6-78.3000114.7I504 Y508 P665 S666 Y667I504-H657 HydrophobicContact CD1-CB 3.75Å; I504-H657 PolarHBondContact O-CE1 3.14Å; Y508-H657 AromaticContact CE1-ND1 3.69Å; Y508-H657 AromaticContact CZ-ND1 3.74Å; Y508-H657 PolarHBondContact OH-ND1 3.19Å; H657-P665 WeakPolarHBondContact O-CA 3.5Å; H657-S666 PolarHBondContact O-N 3.03Å; H657-S666 PolarHBondContact O-OG 3Å; H657-Y667 HydrophobicContact CB-CD1 4.32Å; H657-Y667 HydrophobicContact CB-CE1 4.19Å
658C84.7Confident80.2Confident40 Ų4065.9 Ų65.927%0.2735%0.347SS..BIsolated β-bridgetrans-140.9152.5-178.265.70000112.3W651 R656 R663 W664W651-C658 PolarHBondContact NE1-O 3.48Å; R656-C658 PolarHBondContact O-N 3.09Å; C658-R663 WeakPolarHBondContact CB-O 3.27Å; C658-W664 CarbonylContact C-O 3.59Å; C658-W664 WeakPolarHBondContact CA-O 3.33Å
659C83.9Confident79.5Confident1 Ų174.6 Ų74.61%0.00739%0.385CS..  trans-63.6131.1178.8176.10000111.7L637 V661 C662 R663 W664L637-C659 HydrophobicContact CD1-CB 3.64Å; C659-V661 PolarHBondContact O-N 3.38Å; C659-V661 PolarHBondContact SG-N 3.48Å; C659-V661 VanDerWaalsContact SG-N 3.42Å; C659-C662 VanDerWaalsContact CB-SG 3.6Å; C659-R663 WeakPolarHBondContact O-CA 3.46Å; C659-R663 PolarHBondContact O-N 3.1Å; C659-W664 PolarHBondContact N-O 3.25Å
660P83.9Confident78.5Confident35 Ų3577.2 Ų77.223%0.22739%0.392CS..THydrogen-bonded Turntrans-56.3-32.6176.2-26.432.5000114.3V623 F643 I648 W651V623-P660 HydrophobicContact CG2-CB 4.33Å; V623-P660 HydrophobicContact CG2-CG 3.93Å; F643-P660 HydrophobicContact CE1-CB 4.12Å; F643-P660 HydrophobicContact CE1-CG 3.94Å; F643-P660 HydrophobicContact CZ-CB 4.23Å; F643-P660 HydrophobicContact CZ-CG 3.92Å; I648-P660 HydrophobicContact CD1-CG 3.97Å; W651-P660 HydrophobicContact CD2-CG 4.11Å; W651-P660 HydrophobicContact CG-CG 4.15Å; W651-P660 HydrophobicContact CZ2-CB 4.48Å; W651-P660 HydrophobicContact CZ2-CG 4.42Å
661V81.6Confident77Confident69 Ų6978.4 Ų78.442%0.41840%0.396SS..THydrogen-bonded Turntrans-85.4-53.7-175.2-179.40000111.6V622 H641 F643 C659V622-V661 HydrophobicContact CB-CG2 4.26Å; V622-V661 HydrophobicContact CG1-CG2 4.43Å; V622-V661 HydrophobicContact CG2-CG2 4.06Å; H641-V661 WeakPolarHBondContact NE2-CG1 3.35Å; F643-V661 HydrophobicContact CE1-CG2 4Å; F643-V661 HydrophobicContact CZ-CG2 3.86Å; C659-V661 PolarHBondContact O-N 3.38Å; C659-V661 PolarHBondContact SG-N 3.48Å; C659-V661 VanDerWaalsContact SG-N 3.42Å
662C79.9Confident75.2Confident47 Ų4780.8 Ų80.832%0.31842%0.421SS..THydrogen-bonded Turntrans-110.4-1-171.367.10000114.9H641 C659 W664H641-C662 VanDerWaalsContact CE1-SG 3.59Å; H641-C662 PolarHBondContact ND1-SG 3.21Å; C659-C662 VanDerWaalsContact CB-SG 3.6Å; C662-W664 PolarHBondContact O-N 3.24Å; C662-W664 VanDerWaalsContact SG-CB 3.54Å
663R81.9Confident73Confident205 Ų20590.3 Ų90.377%0.77446%0.458SS*.  trans5714.5-176.7-54.9-178.6-179.9-173.1-1.1114.8C658 C659C658-R663 WeakPolarHBondContact CB-O 3.27Å; C659-R663 WeakPolarHBondContact O-CA 3.46Å; C659-R663 PolarHBondContact O-N 3.1Å
664W79.6Confident71Confident100 Ų10091 Ų9138%0.37946%0.464SS..  trans-67.3140.3175.9-157.7-93.4000110.4C639 C658 C659 C662 S666 K668 K670C639-W664 HydrophobicContact CB-CB 3.82Å; C639-W664 HydrophobicContact CB-CG 4.14Å; C658-W664 CarbonylContact C-O 3.59Å; C658-W664 WeakPolarHBondContact CA-O 3.33Å; C659-W664 PolarHBondContact N-O 3.25Å; C662-W664 PolarHBondContact O-N 3.24Å; C662-W664 VanDerWaalsContact SG-CB 3.54Å; W664-S666 PolarHBondContact O-N 3Å; W664-K668 PolarHBondContact NE1-O 2.95Å; W664-K670 HydrophobicContact CD2-CD 4.22Å; W664-K670 HydrophobicContact CD2-CG 4.27Å; W664-K670 HydrophobicContact CE3-CD 4.38Å; W664-K670 HydrophobicContact CH2-CG 4.24Å; W664-K670 HydrophobicContact CZ2-CB 4.26Å; W664-K670 HydrophobicContact CZ2-CG 3.84Å
665P83.3Confident69.2Low38 Ų3897.4 Ų97.425%0.24748%0.478CS..BIsolated β-bridgetrans-59.2126.6179.2-21.531.4000111.4H657 Y667 K668H657-P665 WeakPolarHBondContact O-CA 3.5Å; P665-Y667 HydrophobicContact CB-CD1 4.08Å; P665-Y667 HydrophobicContact CB-CE1 3.56Å; P665-Y667 HydrophobicContact CB-CE2 4.39Å; P665-Y667 PolarHBondContact O-N 3.41Å; P665-Y667 VanDerWaalsContact O-N 3.11Å; P665-K668 HydrophobicContact CB-CB 4.29Å; P665-K668 HydrophobicContact CB-CD 4.45Å; P665-K668 HydrophobicContact CB-CG 4.31Å; P665-K668 HydrophobicContact CG-CD 4.44Å; P665-K668 PolarHBondContact O-N 3.3Å
666S81.1Confident67.4Low2 Ų2102.6 Ų102.61%0.01449%0.488CS..THydrogen-bonded Turntrans-69.8-8.6-173.952.40000114.5Y508 P638 L652 H657 W664Y508-S666 WeakPolarHBondContact CE2-OG 3.31Å; Y508-S666 PolarHBondContact OH-OG 3.33Å; P638-S666 WeakPolarHBondContact CD-O 3.2Å; P638-S666 WeakPolarHBondContact CG-O 3.21Å; L652-S666 WeakPolarHBondContact CD2-OG 3.38Å; H657-S666 PolarHBondContact O-N 3.03Å; H657-S666 PolarHBondContact O-OG 3Å; W664-S666 PolarHBondContact O-N 3Å
667Y78.7Confident65.4Low93 Ų93104.6 Ų104.637%0.36550%0.503SS..THydrogen-bonded Turntrans-107-1.3179.757.2-84.9000112.9I504 H657 P665I504-Y667 HydrophobicContact CD1-CD1 4.08Å; I504-Y667 HydrophobicContact CD1-CE1 3.32Å; I504-Y667 HydrophobicContact CG1-CE1 4.08Å; I504-Y667 HydrophobicContact CG2-CD1 4.05Å; I504-Y667 HydrophobicContact CG2-CE1 4.39Å; I504-Y667 HydrophobicContact CG2-CG 4.33Å; H657-Y667 HydrophobicContact CB-CD1 4.32Å; H657-Y667 HydrophobicContact CB-CE1 4.19Å; P665-Y667 HydrophobicContact CB-CD1 4.08Å; P665-Y667 HydrophobicContact CB-CE1 3.56Å; P665-Y667 HydrophobicContact CB-CE2 4.39Å; P665-Y667 PolarHBondContact O-N 3.41Å; P665-Y667 VanDerWaalsContact O-N 3.11Å
668K78.6Confident63.1Low121 Ų121108.9 Ų108.953%0.52653%0.534SS..SBendtrans-113.9120.5177-68.7-171.8179.7-178.50110.8W664 P665 K670W664-K668 PolarHBondContact NE1-O 2.95Å; P665-K668 HydrophobicContact CB-CB 4.29Å; P665-K668 HydrophobicContact CB-CD 4.45Å; P665-K668 HydrophobicContact CB-CG 4.31Å; P665-K668 HydrophobicContact CG-CD 4.44Å; P665-K668 PolarHBondContact O-N 3.3Å; K668-K670 PolarHBondContact O-N 3.45Å
669K71Confident60.6Low184 Ų184114.6 Ų114.680%0.856%0.561SS**  trans-60.5131.8169.9-73.3-172.1177-170.70110.1P638P638-K669 HydrophobicContact CB-CG 4.14Å
670K61.6Low58Low105 Ų105120.1 Ų120.146%0.45760%0.6SS.*  trans-81.3114.4174-169.5176.4-179.7-171.90108.3P638 W664 K668P638-K670 PolarHBondContact O-N 3.31Å; W664-K670 HydrophobicContact CD2-CD 4.22Å; W664-K670 HydrophobicContact CD2-CG 4.27Å; W664-K670 HydrophobicContact CE3-CD 4.38Å; W664-K670 HydrophobicContact CH2-CG 4.24Å; W664-K670 HydrophobicContact CZ2-CB 4.26Å; W664-K670 HydrophobicContact CZ2-CG 3.84Å; K668-K670 PolarHBondContact O-N 3.45Å
671Q53.2Low55.7Low175 Ų175124.6 Ų124.682%0.81862%0.622SS**PPolyproline II helixtrans-69.9136.5169.4-74.5-179.4-12.200109Y673Q671-Y673 PolarHBondContact O-N 2.79Å
672P45Very low53.3Low126 Ų126128.2 Ų128.282%0.81864%0.639SS**PPolyproline II helixtrans-63.8124.7172.624.2-29.5000109.2A674P672-A674 PolarHBondContact O-N 3.24Å
673Y36.5Very low51.2Low199 Ų199132.4 Ų132.478%0.7866%0.663SS**PPolyproline II helixtrans-69.3117.7-179.6-156.8-94.2000108.9Q671 Q675Q671-Y673 PolarHBondContact O-N 2.79Å; Y673-Q675 PolarHBondContact O-N 3.35Å
674A34.5Very low49.6Very low82 Ų82128.3 Ų128.368%0.67866%0.663SS**PPolyproline II helixtrans-62.6131.5168.300000109.3P672 H676P672-A674 PolarHBondContact O-N 3.24Å; A674-H676 PolarHBondContact O-N 3.41Å
675Q31Very low47.4Very low193 Ų193132.7 Ų132.790%0.90271%0.709SS**PPolyproline II helixtrans-54.7120.6178.8-74.3169.1-30.200111.4Y673Y673-Q675 PolarHBondContact O-N 3.35Å
676H30.2Very low45.7Very low163 Ų163137.4 Ų137.476%0.75573%0.732SS**PPolyproline II helixtrans-87.4125.6161.6-88.6-70.1000109.5A674A674-H676 PolarHBondContact O-N 3.41Å
677Q31.3Very low43.8Very low184 Ų184144.5 Ų144.586%0.8677%0.769SS**PPolyproline II helixtrans-57.9154.9176.9-77.4169.7-3400113.4
678P33.8Very low41.9Very low125 Ų125147.4 Ų147.481%0.81279%0.792SS**PPolyproline II helixtrans-78.7154.1-171.531.6-34000114.5
679L32Very low39.7Very low159 Ų159148.9 Ų148.983%0.83281%0.808SS**PPolyproline II helixtrans-51.2142.1178.2-71.7109.7000114.6
680S30.1Very low37.7Very low117 Ų117146.8 Ų146.882%0.81881%0.808SS**PPolyproline II helixtrans-100.5125.6146.645.30000108.8
681N34.6Very low36.1Very low130 Ų130149.5 Ų149.570%0.69583%0.831SS**PPolyproline II helixtrans-78.6145.5170.1-70.5-31.3000109.8
682D32.1Very low34.9Very low144 Ų144147.7 Ų147.777%0.7783%0.832SS**  162.7102.8123.4-78.7-20.8000109.1
683V35.1Very low34.1Very low136 Ų136149.4 Ų149.482%0.82483%0.833SS**  89139.897.4168.80000112.3
684P48.4Very low34Very low118 Ų118145.3 Ų145.377%0.76684%0.838SS**  trans-100.2155.9-148.637.4-28.8000114.1
685S34.6Very low33.9Very low192 Ų192151 Ų151100%1.34385%0.852SS**  trans-154.90156.257.70000109.8

Retrieved 685 of 685 residues in 4885.5 ms (Link to these results)

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