A0A087X3K1_POEFO Loading...

Ring finger protein 103

AlphaFold DB , UniProt , Accession A0A087X3K1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 677 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
1M72.5Confident87.1Confident151 Ų15180.9 Ų80.974%0.74438%0.375SS*.  0-51.20-68.2-176.980.900112.1L3 K4 L5M1-L3 VanDerWaalsContact C-N 3.34Å; M1-L3 PolarHBondContact O-N 3.41Å; M1-K4 WeakPolarHBondContact O-CB 3.42Å; M1-K4 PolarHBondContact O-N 3.22Å; M1-L5 PolarHBondContact O-N 2.98Å
2W82.9Confident87.5Confident217 Ų21780 Ų8082%0.82237%0.37SS*.Hα-helixtrans-52.1-42179.6-66.6106.3000115.6K4 L5 F6W2-K4 VanDerWaalsContact C-N 3.34Å; W2-K4 PolarHBondContact O-N 3.27Å; W2-L5 HydrophobicContact CE3-CD2 4.16Å; W2-L5 HydrophobicContact CZ3-CD2 4.17Å; W2-L5 PolarHBondContact O-N 2.78Å; W2-F6 WeakPolarHBondContact O-CB 3.32Å; W2-F6 PolarHBondContact O-N 3.43Å
3L84.1Confident87.8Confident89 Ų8981.2 Ų81.247%0.46638%0.377SS..Hα-helixtrans-63.4-38176.5-171.7122.1000112.8M1 F6 F7M1-L3 VanDerWaalsContact C-N 3.34Å; M1-L3 PolarHBondContact O-N 3.41Å; L3-F6 PolarHBondContact O-N 3.27Å; L3-F7 HydrophobicContact CD2-CD2 3.98Å; L3-F7 HydrophobicContact CD2-CE2 3.4Å; L3-F7 VanDerWaalsContact CD2-CE2 3.4Å; L3-F7 HydrophobicContact CD2-CZ 4.26Å; L3-F7 HydrophobicContact CG-CD2 4.32Å; L3-F7 HydrophobicContact CG-CE2 3.85Å; L3-F7 HydrophobicContact CG-CZ 4.42Å; L3-F7 WeakPolarHBondContact O-CD2 3.16Å; L3-F7 PolarHBondContact O-N 3.32Å; L3-F7 VanDerWaalsContact O-N 3.09Å
4K86Confident88Confident30 Ų3082.9 Ų82.913%0.1339%0.388CS..Hα-helixtrans-67.6-42.8175.8-54.7-176.8-170.6179.20111M1 W2 F6 F7 L8 L341 D345 I348 Y367M1-K4 WeakPolarHBondContact O-CB 3.42Å; M1-K4 PolarHBondContact O-N 3.22Å; W2-K4 VanDerWaalsContact C-N 3.34Å; W2-K4 PolarHBondContact O-N 3.27Å; K4-F6 VanDerWaalsContact C-N 3.31Å; K4-F6 PolarHBondContact O-N 3.26Å; K4-F7 PolarHBondContact O-N 2.98Å; K4-L8 WeakPolarHBondContact O-CB 3.39Å; K4-L8 PolarHBondContact O-N 3.45Å; K4-L341 HydrophobicContact CB-CD1 3.51Å; K4-L341 HydrophobicContact CB-CG 4.21Å; K4-L341 HydrophobicContact CD-CG 4.49Å; K4-D345 WeakPolarHBondContact CE-OD1 3.33Å; K4-D345 IonicContact NZ-OD1 3.62Å; K4-D345 PolarHBondContact NZ-OD1 3.5Å; K4-D345 IonicContact NZ-OD2 3.93Å; K4-D345 PolarHBondContact NZ-OD2 3.26Å; K4-I348 HydrophobicContact CG-CD1 3.94Å; K4-Y367 PolarHBondContact NZ-OH 3.42Å
5L87.7Confident88.2Confident63 Ų6378.2 Ų78.233%0.3337%0.366SS..Hα-helixtrans-61.2-42.2175.8-177.167000110.9M1 W2 L8 L9M1-L5 PolarHBondContact O-N 2.98Å; W2-L5 HydrophobicContact CE3-CD2 4.16Å; W2-L5 HydrophobicContact CZ3-CD2 4.17Å; W2-L5 PolarHBondContact O-N 2.78Å; L5-L8 PolarHBondContact O-N 2.93Å; L5-L9 HydrophobicContact CG-CD1 4.14Å; L5-L9 WeakPolarHBondContact O-CB 3.33Å; L5-L9 WeakPolarHBondContact O-CG 3.4Å; L5-L9 PolarHBondContact O-N 3.08Å
6F90Very high88.4Confident131 Ų13175.9 Ų75.958%0.57535%0.354SS*.Hα-helixtrans-59.6-47.5175.4176.1-99.3000112.1W2 L3 K4 L8 L9 L10W2-F6 WeakPolarHBondContact O-CB 3.32Å; W2-F6 PolarHBondContact O-N 3.43Å; L3-F6 PolarHBondContact O-N 3.27Å; K4-F6 VanDerWaalsContact C-N 3.31Å; K4-F6 PolarHBondContact O-N 3.26Å; F6-L8 VanDerWaalsContact C-N 3.3Å; F6-L8 PolarHBondContact O-N 3.49Å; F6-L9 PolarHBondContact O-N 3.14Å; F6-L10 WeakPolarHBondContact O-CB 3.06Å; F6-L10 PolarHBondContact O-N 3.38Å
7F89.4Confident88.5Confident33 Ų3377.6 Ų77.615%0.14537%0.366CS..Hα-helixtrans-65.3-32.3177.1-71.4-43.7000113.8L3 K4 Y11 I348 H431 I435L3-F7 HydrophobicContact CD2-CD2 3.98Å; L3-F7 HydrophobicContact CD2-CE2 3.4Å; L3-F7 VanDerWaalsContact CD2-CE2 3.4Å; L3-F7 HydrophobicContact CD2-CZ 4.26Å; L3-F7 HydrophobicContact CG-CD2 4.32Å; L3-F7 HydrophobicContact CG-CE2 3.85Å; L3-F7 HydrophobicContact CG-CZ 4.42Å; L3-F7 WeakPolarHBondContact O-CD2 3.16Å; L3-F7 PolarHBondContact O-N 3.32Å; L3-F7 VanDerWaalsContact O-N 3.09Å; K4-F7 PolarHBondContact O-N 2.98Å; F7-Y11 PolarHBondContact O-N 3.18Å; F7-I348 HydrophobicContact CD2-CD1 4.46Å; F7-H431 PolarHBondContact O-NE2 3.03Å; F7-I435 HydrophobicContact CB-CD1 3.84Å; F7-I435 HydrophobicContact CD1-CD1 4.12Å; F7-I435 HydrophobicContact CD1-CG1 4.36Å; F7-I435 HydrophobicContact CD2-CD1 4.31Å; F7-I435 HydrophobicContact CD2-CG2 4.39Å; F7-I435 HydrophobicContact CE2-CG2 4.13Å; F7-I435 HydrophobicContact CG-CD1 3.87Å; F7-I435 HydrophobicContact CG-CG1 4.5Å; F7-I435 HydrophobicContact CZ-CG2 4.39Å
8L90.1Very high88.6Confident2 Ų276.7 Ų76.71%0.0136%0.363CS..Hα-helixtrans-71.5-41175-173.765.9000111.7K4 L5 F6 Y11 F12 L337 L340 L341 M344K4-L8 WeakPolarHBondContact O-CB 3.39Å; K4-L8 PolarHBondContact O-N 3.45Å; L5-L8 PolarHBondContact O-N 2.93Å; F6-L8 VanDerWaalsContact C-N 3.3Å; F6-L8 PolarHBondContact O-N 3.49Å; L8-Y11 WeakPolarHBondContact O-CB 3.25Å; L8-Y11 PolarHBondContact O-N 3.12Å; L8-F12 HydrophobicContact CD1-CE2 4Å; L8-F12 HydrophobicContact CD1-CZ 4.35Å; L8-F12 HydrophobicContact CD2-CE2 4.26Å; L8-F12 HydrophobicContact CG-CD2 4.25Å; L8-F12 HydrophobicContact CG-CE2 3.73Å; L8-F12 WeakPolarHBondContact O-CD2 3.37Å; L8-F12 PolarHBondContact O-N 3.27Å; L8-L337 HydrophobicContact CD2-CD1 3.63Å; L8-L337 HydrophobicContact CD2-CG 4.32Å; L8-L340 HydrophobicContact CD1-CB 4.16Å; L8-L341 HydrophobicContact CD2-CD1 4.16Å; L8-M344 HydrophobicContact CD1-CE 4.31Å
9L91.1Very high88.5Confident98 Ų9872.8 Ų72.851%0.51335%0.346SS..Hα-helixtrans-64.4-41173-72.5171000111.5L5 F6 Y11 F12 M13L5-L9 HydrophobicContact CG-CD1 4.14Å; L5-L9 WeakPolarHBondContact O-CB 3.33Å; L5-L9 WeakPolarHBondContact O-CG 3.4Å; L5-L9 PolarHBondContact O-N 3.08Å; F6-L9 PolarHBondContact O-N 3.14Å; L9-Y11 VanDerWaalsContact C-N 3.28Å; L9-Y11 PolarHBondContact O-N 2.96Å; L9-F12 PolarHBondContact O-N 2.91Å; L9-M13 WeakPolarHBondContact O-CG 3.13Å; L9-M13 PolarHBondContact O-N 3.43Å
10L92Very high88.5Confident73 Ų7371.8 Ų71.838%0.38234%0.338SS..Hα-helixtrans-59.5-40.8173.2-175.768.6000111.1F6 M13 M14F6-L10 WeakPolarHBondContact O-CB 3.06Å; F6-L10 PolarHBondContact O-N 3.38Å; L10-M13 PolarHBondContact O-N 2.73Å; L10-M14 VanDerWaalsContact O-CG 3.3Å; L10-M14 WeakPolarHBondContact O-CG 3.49Å; L10-M14 PolarHBondContact O-N 2.79Å
11Y92.8Very high88.5Confident3 Ų373.3 Ų73.31%0.01235%0.348CS..Hα-helixtrans-59.8-50.2174.9173.6-113.2000112.2F7 L8 L9 M13 M14 L15 F424 T427 Y428 H431F7-Y11 PolarHBondContact O-N 3.18Å; L8-Y11 WeakPolarHBondContact O-CB 3.25Å; L8-Y11 PolarHBondContact O-N 3.12Å; L9-Y11 VanDerWaalsContact C-N 3.28Å; L9-Y11 PolarHBondContact O-N 2.96Å; Y11-M13 PolarHBondContact O-N 3.27Å; Y11-M14 PolarHBondContact O-N 3.27Å; Y11-M14 VanDerWaalsContact O-N 3.12Å; Y11-L15 HydrophobicContact CD1-CD1 4.12Å; Y11-L15 HydrophobicContact CD2-CG 4.38Å; Y11-L15 HydrophobicContact CE1-CD1 3.42Å; Y11-L15 VanDerWaalsContact CE1-CD1 3.42Å; Y11-L15 HydrophobicContact CE1-CG 4.03Å; Y11-L15 HydrophobicContact CE2-CD1 4.15Å; Y11-L15 HydrophobicContact CE2-CD2 4.01Å; Y11-L15 HydrophobicContact CE2-CG 3.87Å; Y11-L15 VanDerWaalsContact CZ-CD1 3.44Å; Y11-L15 PolarHBondContact O-N 3.24Å; Y11-F424 AromaticContact CE1-CE2 3.95Å; Y11-F424 HydrophobicContact CE1-CE2 3.95Å; Y11-F424 HydrophobicContact CE1-CZ 4.11Å; Y11-F424 PolarHBondContact OH-O 3.31Å; Y11-F424 VanDerWaalsContact OH-O 3.14Å; Y11-T427 PolarHBondContact OH-OG1 3.17Å; Y11-T427 VanDerWaalsContact OH-OG1 3.14Å; Y11-Y428 HydrophobicContact CD1-CD2 4.05Å; Y11-Y428 AromaticContact CE1-CD2 3.71Å; Y11-Y428 HydrophobicContact CE1-CD2 3.71Å; Y11-Y428 HydrophobicContact CE2-CD2 4.26Å; Y11-Y428 HydrophobicContact CG-CD2 4.45Å; Y11-Y428 AromaticContact CZ-CD2 3.82Å; Y11-Y428 PolarHBondContact OH-N 2.72Å; Y11-H431 HydrophobicContact CD2-CB 3.78Å; Y11-H431 AromaticContact CD2-CD2 3.87Å; Y11-H431 AromaticContact CD2-CG 3.78Å; Y11-H431 HydrophobicContact CE2-CB 4.26Å
12F91.9Very high89.1Confident70 Ų7070.5 Ų70.531%0.30733%0.332SS..Hα-helixtrans-61.2-35.2177.6-70.9-57.3000112.3L8 L9 L15 F16 L337 L340L8-F12 HydrophobicContact CD1-CE2 4Å; L8-F12 HydrophobicContact CD1-CZ 4.35Å; L8-F12 HydrophobicContact CD2-CE2 4.26Å; L8-F12 HydrophobicContact CG-CD2 4.25Å; L8-F12 HydrophobicContact CG-CE2 3.73Å; L8-F12 WeakPolarHBondContact O-CD2 3.37Å; L8-F12 PolarHBondContact O-N 3.27Å; L9-F12 PolarHBondContact O-N 2.91Å; F12-L15 HydrophobicContact CD1-CD1 4.28Å; F12-L15 PolarHBondContact O-N 2.73Å; F12-F16 PolarHBondContact O-N 2.97Å; F12-L337 HydrophobicContact CE2-CD1 4.09Å; F12-L337 HydrophobicContact CZ-CD1 4.41Å; F12-L340 HydrophobicContact CZ-CD1 4.32Å
13M90.9Very high89.1Confident95 Ų9563.9 Ų63.947%0.46831%0.31SS..Hα-helixtrans-68.1-39.7174.1-73.3-85.758.600113L9 L10 Y11 L15 F16 L17L9-M13 WeakPolarHBondContact O-CG 3.13Å; L9-M13 PolarHBondContact O-N 3.43Å; L10-M13 PolarHBondContact O-N 2.73Å; Y11-M13 PolarHBondContact O-N 3.27Å; M13-L15 VanDerWaalsContact C-N 3.35Å; M13-F16 HydrophobicContact CE-CB 3.83Å; M13-F16 HydrophobicContact CE-CD1 3.82Å; M13-F16 HydrophobicContact CE-CG 4.01Å; M13-F16 PolarHBondContact O-N 3.17Å; M13-L17 WeakPolarHBondContact O-CG 3.26Å; M13-L17 PolarHBondContact O-N 3.18Å
14M90.5Very high89.2Confident106 Ų10663.6 Ų63.652%0.52231%0.312SS..Hα-helixtrans-65.4-38.4174.1-69.2-64.7-91.900111.8L10 Y11 L17 L18L10-M14 VanDerWaalsContact O-CG 3.3Å; L10-M14 WeakPolarHBondContact O-CG 3.49Å; L10-M14 PolarHBondContact O-N 2.79Å; Y11-M14 PolarHBondContact O-N 3.27Å; Y11-M14 VanDerWaalsContact O-N 3.12Å; M14-L17 PolarHBondContact O-N 3.35Å; M14-L17 HydrophobicContact SD-CD1 4.42Å; M14-L18 WeakPolarHBondContact O-CB 3.33Å; M14-L18 PolarHBondContact O-N 2.59Å
15L91.1Very high89.2Confident12 Ų1265 Ų656%0.06332%0.323CS..Hα-helixtrans-61-48172.7-75.9-177.5000111.7Y11 F12 M13 L17 L18 A19 Y417 F424 T427Y11-L15 HydrophobicContact CD1-CD1 4.12Å; Y11-L15 HydrophobicContact CD2-CG 4.38Å; Y11-L15 HydrophobicContact CE1-CD1 3.42Å; Y11-L15 VanDerWaalsContact CE1-CD1 3.42Å; Y11-L15 HydrophobicContact CE1-CG 4.03Å; Y11-L15 HydrophobicContact CE2-CD1 4.15Å; Y11-L15 HydrophobicContact CE2-CD2 4.01Å; Y11-L15 HydrophobicContact CE2-CG 3.87Å; Y11-L15 VanDerWaalsContact CZ-CD1 3.44Å; Y11-L15 PolarHBondContact O-N 3.24Å; F12-L15 HydrophobicContact CD1-CD1 4.28Å; F12-L15 PolarHBondContact O-N 2.73Å; M13-L15 VanDerWaalsContact C-N 3.35Å; L15-L17 VanDerWaalsContact C-N 3.34Å; L15-L17 PolarHBondContact O-N 2.93Å; L15-L18 PolarHBondContact O-N 2.61Å; L15-A19 PolarHBondContact O-N 2.95Å; L15-Y417 HydrophobicContact CB-CE2 4.14Å; L15-Y417 HydrophobicContact CD2-CE1 3.95Å; L15-Y417 HydrophobicContact CD2-CE2 4.38Å; L15-Y417 PolarHBondContact O-OH 2.74Å; L15-F424 HydrophobicContact CD1-CD2 4.01Å; L15-F424 HydrophobicContact CD1-CE2 3.7Å; L15-T427 HydrophobicContact CD2-CG2 4.47Å
16F91.5Very high88.9Confident41 Ų4165.7 Ų65.718%0.1833%0.33CS..Hα-helixtrans-56.8-49.1177.1179.9-100.3000111.2F12 M13 L18 A19 R20 F406 L409 D413F12-F16 PolarHBondContact O-N 2.97Å; M13-F16 HydrophobicContact CE-CB 3.83Å; M13-F16 HydrophobicContact CE-CD1 3.82Å; M13-F16 HydrophobicContact CE-CG 4.01Å; M13-F16 PolarHBondContact O-N 3.17Å; F16-L18 VanDerWaalsContact C-N 3.32Å; F16-L18 PolarHBondContact O-N 2.88Å; F16-A19 PolarHBondContact O-N 3.21Å; F16-R20 HydrophobicContact CE1-CG 4.2Å; F16-R20 HydrophobicContact CZ-CG 4.25Å; F16-R20 WeakPolarHBondContact O-CG 3.37Å; F16-R20 PolarHBondContact O-N 3.23Å; F16-R20 VanDerWaalsContact O-N 3.13Å; F16-F406 HydrophobicContact CE2-CE2 4.29Å; F16-F406 HydrophobicContact CZ-CE2 4.05Å; F16-L409 HydrophobicContact CE2-CB 4.43Å; F16-D413 WeakPolarHBondContact CD2-OD2 3.29Å; F16-D413 WeakPolarHBondContact CE2-OD2 3.49Å
17L90.4Very high88.5Confident105 Ų10564.7 Ų64.755%0.5532%0.322SS..Hα-helixtrans-60.9-39.8177.1-69.7173.2000112.7M13 M14 L15 R20 L21M13-L17 WeakPolarHBondContact O-CG 3.26Å; M13-L17 PolarHBondContact O-N 3.18Å; M14-L17 PolarHBondContact O-N 3.35Å; M14-L17 HydrophobicContact SD-CD1 4.42Å; L15-L17 VanDerWaalsContact C-N 3.34Å; L15-L17 PolarHBondContact O-N 2.93Å; L17-R20 PolarHBondContact O-N 2.97Å; L17-L21 WeakPolarHBondContact O-CB 3.27Å; L17-L21 PolarHBondContact O-N 3.16Å
18L90Very high88.4Confident61 Ų6172.5 Ų72.532%0.31935%0.352SS..Hα-helixtrans-68.3-38.7179.8-173125.1000112M14 L15 F16 L21 F22 Y417 T427M14-L18 WeakPolarHBondContact O-CB 3.33Å; M14-L18 PolarHBondContact O-N 2.59Å; L15-L18 PolarHBondContact O-N 2.61Å; F16-L18 VanDerWaalsContact C-N 3.32Å; F16-L18 PolarHBondContact O-N 2.88Å; L18-L21 PolarHBondContact O-N 2.59Å; L18-F22 HydrophobicContact CD2-CD2 3.78Å; L18-F22 HydrophobicContact CD2-CE2 3.18Å; L18-F22 HydrophobicContact CD2-CZ 3.94Å; L18-F22 HydrophobicContact CG-CD2 4.2Å; L18-F22 HydrophobicContact CG-CE2 3.8Å; L18-F22 HydrophobicContact CG-CZ 4.26Å; L18-F22 VanDerWaalsContact O-CD2 3.31Å; L18-F22 WeakPolarHBondContact O-CD2 3.23Å; L18-F22 WeakPolarHBondContact O-CG 3.42Å; L18-F22 PolarHBondContact O-N 2.89Å; L18-Y417 VanDerWaalsContact CD2-OH 3.32Å; L18-Y417 WeakPolarHBondContact CD2-OH 3.48Å; L18-T427 HydrophobicContact CD2-CG2 4.47Å
19A87.3Confident88.1Confident4 Ų479.8 Ų79.83%0.03339%0.386CS..Hα-helixtrans-61.3-45.1172.800000111.5L15 F16 L21 F22 E23 D413 Y417L15-A19 PolarHBondContact O-N 2.95Å; F16-A19 PolarHBondContact O-N 3.21Å; A19-L21 VanDerWaalsContact C-N 3.35Å; A19-L21 PolarHBondContact O-N 2.79Å; A19-F22 PolarHBondContact O-N 2.92Å; A19-E23 PolarHBondContact O-N 3.02Å; A19-D413 HydrophobicContact CB-CB 4.46Å; A19-D413 WeakPolarHBondContact CB-OD1 3.43Å; A19-Y417 HydrophobicContact CB-CE2 4.08Å; A19-Y417 PolarHBondContact N-OH 3.27Å
20R88.6Confident87.5Confident52 Ų5279 Ų7920%0.19639%0.386CS..Hα-helixtrans-64.4-38.3175.9-61.1-58.698.3-157.6-5.1112.4F16 L17 E23 T24 D413F16-R20 HydrophobicContact CE1-CG 4.2Å; F16-R20 HydrophobicContact CZ-CG 4.25Å; F16-R20 WeakPolarHBondContact O-CG 3.37Å; F16-R20 PolarHBondContact O-N 3.23Å; F16-R20 VanDerWaalsContact O-N 3.13Å; L17-R20 PolarHBondContact O-N 2.97Å; R20-E23 VanDerWaalsContact CZ-CD 3.4Å; R20-E23 IonicContact CZ-OE1 2.82Å; R20-E23 VanDerWaalsContact CZ-OE1 3.27Å; R20-E23 IonicContact CZ-OE2 3.19Å; R20-E23 IonicContact NH1-OE1 3.56Å; R20-E23 PolarHBondContact NH1-OE1 3.03Å; R20-E23 IonicContact NH1-OE2 3.92Å; R20-E23 PolarHBondContact NH1-OE2 3.28Å; R20-E23 IonicContact NH2-OE1 3.72Å; R20-E23 PolarHBondContact NH2-OE1 2.71Å; R20-E23 IonicContact NH2-OE2 2.83Å; R20-E23 PolarHBondContact O-N 3.33Å; R20-T24 WeakPolarHBondContact O-CB 3.41Å; R20-T24 PolarHBondContact O-N 2.96Å; R20-T24 PolarHBondContact O-OG1 3.34Å; R20-D413 IonicContact CZ-OD1 3.91Å; R20-D413 IonicContact NE-OD1 2.68Å; R20-D413 IonicContact NE-OD2 3.59Å; R20-D413 IonicContact NH2-OD1 3.62Å; R20-D413 PolarHBondContact NH2-OD1 3.1Å; R20-D413 IonicContact NH2-OD2 3.77Å
21L88Confident86.7Confident103 Ų10378 Ų7854%0.53939%0.392SS..Hα-helixtrans-63.2-44.4174.8-173.6148.8000110.7L17 L18 A19 T24 V25L17-L21 WeakPolarHBondContact O-CB 3.27Å; L17-L21 PolarHBondContact O-N 3.16Å; L18-L21 PolarHBondContact O-N 2.59Å; A19-L21 VanDerWaalsContact C-N 3.35Å; A19-L21 PolarHBondContact O-N 2.79Å; L21-T24 WeakPolarHBondContact O-CB 3.47Å; L21-T24 PolarHBondContact O-N 3.2Å; L21-T24 VanDerWaalsContact O-N 3.16Å; L21-V25 HydrophobicContact CD2-CG2 3.85Å; L21-V25 VanDerWaalsContact O-CG2 3.32Å; L21-V25 WeakPolarHBondContact O-CG2 3.41Å; L21-V25 PolarHBondContact O-N 2.93Å
22F84.6Confident85.8Confident93 Ų9380.8 Ų80.841%0.40841%0.406SS..Hα-helixtrans-61.9-43.4175.7-75.1-43.9000112.6L18 A19 T24 V25 V26L18-F22 HydrophobicContact CD2-CD2 3.78Å; L18-F22 HydrophobicContact CD2-CE2 3.18Å; L18-F22 HydrophobicContact CD2-CZ 3.94Å; L18-F22 HydrophobicContact CG-CD2 4.2Å; L18-F22 HydrophobicContact CG-CE2 3.8Å; L18-F22 HydrophobicContact CG-CZ 4.26Å; L18-F22 VanDerWaalsContact O-CD2 3.31Å; L18-F22 WeakPolarHBondContact O-CD2 3.23Å; L18-F22 WeakPolarHBondContact O-CG 3.42Å; L18-F22 PolarHBondContact O-N 2.89Å; A19-F22 PolarHBondContact O-N 2.92Å; F22-T24 VanDerWaalsContact C-N 3.26Å; F22-T24 PolarHBondContact O-N 3.47Å; F22-V25 PolarHBondContact O-N 3.35Å; F22-V26 WeakPolarHBondContact O-CB 3.32Å; F22-V26 VanDerWaalsContact O-CG2 3.27Å; F22-V26 WeakPolarHBondContact O-CG2 3.44Å; F22-V26 PolarHBondContact O-N 2.9Å
23E83.1Confident84.6Confident77 Ų7782 Ų8236%0.3641%0.411SS..Hα-helixtrans-59.5-40.1173.6-75.5-169-173.300112.1A19 R20 V26 W27A19-E23 PolarHBondContact O-N 3.02Å; R20-E23 VanDerWaalsContact CZ-CD 3.4Å; R20-E23 IonicContact CZ-OE1 2.82Å; R20-E23 VanDerWaalsContact CZ-OE1 3.27Å; R20-E23 IonicContact CZ-OE2 3.19Å; R20-E23 IonicContact NH1-OE1 3.56Å; R20-E23 PolarHBondContact NH1-OE1 3.03Å; R20-E23 IonicContact NH1-OE2 3.92Å; R20-E23 PolarHBondContact NH1-OE2 3.28Å; R20-E23 IonicContact NH2-OE1 3.72Å; R20-E23 PolarHBondContact NH2-OE1 2.71Å; R20-E23 IonicContact NH2-OE2 2.83Å; R20-E23 PolarHBondContact O-N 3.33Å; E23-V26 PolarHBondContact O-N 3.46Å; E23-W27 VanDerWaalsContact O-CB 3.27Å; E23-W27 WeakPolarHBondContact O-CB 3.5Å; E23-W27 PolarHBondContact O-N 3.38Å
24T85.6Confident83.3Confident83 Ų8379.6 Ų79.651%0.50941%0.407SS..Hα-helixtrans-66.7-40.2178.1-53.20000111.8R20 L21 F22 W27 Y28R20-T24 WeakPolarHBondContact O-CB 3.41Å; R20-T24 PolarHBondContact O-N 2.96Å; R20-T24 PolarHBondContact O-OG1 3.34Å; L21-T24 WeakPolarHBondContact O-CB 3.47Å; L21-T24 PolarHBondContact O-N 3.2Å; L21-T24 VanDerWaalsContact O-N 3.16Å; F22-T24 VanDerWaalsContact C-N 3.26Å; F22-T24 PolarHBondContact O-N 3.47Å; T24-W27 PolarHBondContact O-N 3.22Å; T24-Y28 WeakPolarHBondContact O-CB 3.33Å; T24-Y28 PolarHBondContact O-N 3.24Å
25V86.3Confident82.2Confident61 Ų6177.5 Ų77.537%0.3740%0.4SS..Hα-helixtrans-66.2-46.7176.2170.80000110.7L21 F22 W27 Y28 E29L21-V25 HydrophobicContact CD2-CG2 3.85Å; L21-V25 VanDerWaalsContact O-CG2 3.32Å; L21-V25 WeakPolarHBondContact O-CG2 3.41Å; L21-V25 PolarHBondContact O-N 2.93Å; F22-V25 PolarHBondContact O-N 3.35Å; V25-W27 VanDerWaalsContact C-N 3.26Å; V25-W27 PolarHBondContact O-N 3.39Å; V25-Y28 WeakPolarHBondContact O-CB 3.2Å; V25-Y28 PolarHBondContact O-N 3.38Å; V25-Y28 VanDerWaalsContact O-N 3.11Å; V25-E29 PolarHBondContact O-N 2.97Å
26V81.6Confident81.5Confident76 Ų7680.7 Ų80.746%0.46142%0.415SS..Hα-helixtrans-60.5-40.5176.41710000110.4F22 E23 E29 T30F22-V26 WeakPolarHBondContact O-CB 3.32Å; F22-V26 VanDerWaalsContact O-CG2 3.27Å; F22-V26 WeakPolarHBondContact O-CG2 3.44Å; F22-V26 PolarHBondContact O-N 2.9Å; E23-V26 PolarHBondContact O-N 3.46Å; V26-E29 PolarHBondContact O-N 3.14Å; V26-T30 HydrophobicContact CG1-CG2 4.39Å; V26-T30 WeakPolarHBondContact O-CB 3Å; V26-T30 PolarHBondContact O-N 3.45Å; V26-T30 PolarHBondContact O-OG1 3.01Å
27W82.1Confident80.9Confident111 Ų11183.4 Ų83.442%0.4243%0.431SS..Hα-helixtrans-63.2-42.7174.317473.8000112.2E23 T24 V25 E29 G31 F33E23-W27 VanDerWaalsContact O-CB 3.27Å; E23-W27 WeakPolarHBondContact O-CB 3.5Å; E23-W27 PolarHBondContact O-N 3.38Å; T24-W27 PolarHBondContact O-N 3.22Å; V25-W27 VanDerWaalsContact C-N 3.26Å; V25-W27 PolarHBondContact O-N 3.39Å; W27-E29 VanDerWaalsContact C-N 3.32Å; W27-E29 PolarHBondContact O-N 2.86Å; W27-G31 WeakPolarHBondContact O-CA 3.25Å; W27-G31 PolarHBondContact O-N 2.8Å; W27-F33 HydrophobicContact CB-CD1 4.5Å; W27-F33 HydrophobicContact CB-CE1 4.15Å; W27-F33 AromaticContact CD1-CD2 3.72Å; W27-F33 AromaticContact CD1-CE1 3.73Å; W27-F33 AromaticContact CD1-CE2 3.36Å; W27-F33 AromaticContact CD1-CZ 3.36Å; W27-F33 HydrophobicContact CD2-CE1 4.45Å; W27-F33 AromaticContact CD2-CZ 3.98Å; W27-F33 HydrophobicContact CD2-CZ 3.98Å; W27-F33 AromaticContact CE2-CE2 4Å; W27-F33 AromaticContact CE2-CZ 3.82Å; W27-F33 HydrophobicContact CG-CD1 4.39Å; W27-F33 AromaticContact CG-CE1 3.83Å; W27-F33 HydrophobicContact CG-CE1 3.83Å; W27-F33 HydrophobicContact CG-CE2 4.16Å; W27-F33 AromaticContact CG-CZ 3.7Å; W27-F33 HydrophobicContact CG-CZ 3.7Å; W27-F33 AromaticContact NE1-CD2 3.92Å; W27-F33 AromaticContact NE1-CE2 3.23Å; W27-F33 AromaticContact NE1-CZ 3.43Å
28Y87.1Confident80.4Confident196 Ų19679.3 Ų79.377%0.76941%0.41SS*.Hα-helixtrans-62.1-39.3177.6-176.9-96.4000112.4T24 V25T24-Y28 WeakPolarHBondContact O-CB 3.33Å; T24-Y28 PolarHBondContact O-N 3.24Å; V25-Y28 WeakPolarHBondContact O-CB 3.2Å; V25-Y28 PolarHBondContact O-N 3.38Å; V25-Y28 VanDerWaalsContact O-N 3.11Å
29E84.1Confident79.9Confident155 Ų15580.7 Ų80.772%0.72442%0.418SS*.Hα-helixtrans-79.7-39.9-179.3-69.4-174.4171.200113.5V25 V26 W27V25-E29 PolarHBondContact O-N 2.97Å; V26-E29 PolarHBondContact O-N 3.14Å; W27-E29 VanDerWaalsContact C-N 3.32Å; W27-E29 PolarHBondContact O-N 2.86Å
30T78.6Confident79.6Confident83 Ų8381.4 Ų81.451%0.50942%0.422SS..Hα-helixtrans-103.9-16-171.266.60000114V26 M32V26-T30 HydrophobicContact CG1-CG2 4.39Å; V26-T30 WeakPolarHBondContact O-CB 3Å; V26-T30 PolarHBondContact O-N 3.45Å; V26-T30 PolarHBondContact O-OG1 3.01Å; T30-M32 WeakPolarHBondContact O-CG 3.48Å; T30-M32 PolarHBondContact O-N 3.11Å; T30-M32 PolarHBondContact OG1-N 2.79Å
31G75.8Confident79.4Confident50 Ų5083.2 Ų83.252%0.51544%0.438SS..SBendtrans68.56-173.100000114.7W27W27-G31 WeakPolarHBondContact O-CA 3.25Å; W27-G31 PolarHBondContact O-N 2.8Å
32M72Confident79.3Confident63 Ų6383.1 Ų83.131%0.3144%0.442SS..  trans-117.4137-170.1-64-85.9-63.900111.2T30 Q36 Q80T30-M32 WeakPolarHBondContact O-CG 3.48Å; T30-M32 PolarHBondContact O-N 3.11Å; T30-M32 PolarHBondContact OG1-N 2.79Å; M32-Q36 PolarHBondContact SD-OE1 2.86Å; M32-Q80 HydrophobicContact CE-CG 3.94Å
33F66.9Low79.4Confident94 Ų9479.3 Ų79.341%0.41243%0.426SS..  trans-92.1146.7169.5-72.6-76000110.9W27 T35 Q36W27-F33 HydrophobicContact CB-CD1 4.5Å; W27-F33 HydrophobicContact CB-CE1 4.15Å; W27-F33 AromaticContact CD1-CD2 3.72Å; W27-F33 AromaticContact CD1-CE1 3.73Å; W27-F33 AromaticContact CD1-CE2 3.36Å; W27-F33 AromaticContact CD1-CZ 3.36Å; W27-F33 HydrophobicContact CD2-CE1 4.45Å; W27-F33 AromaticContact CD2-CZ 3.98Å; W27-F33 HydrophobicContact CD2-CZ 3.98Å; W27-F33 AromaticContact CE2-CE2 4Å; W27-F33 AromaticContact CE2-CZ 3.82Å; W27-F33 HydrophobicContact CG-CD1 4.39Å; W27-F33 AromaticContact CG-CE1 3.83Å; W27-F33 HydrophobicContact CG-CE1 3.83Å; W27-F33 HydrophobicContact CG-CE2 4.16Å; W27-F33 AromaticContact CG-CZ 3.7Å; W27-F33 HydrophobicContact CG-CZ 3.7Å; W27-F33 AromaticContact NE1-CD2 3.92Å; W27-F33 AromaticContact NE1-CE2 3.23Å; W27-F33 AromaticContact NE1-CZ 3.43Å; F33-T35 PolarHBondContact O-N 3.21Å; F33-Q36 HydrophobicContact CB-CB 4.26Å; F33-Q36 WeakPolarHBondContact O-CB 3.48Å; F33-Q36 PolarHBondContact O-N 2.95Å
34A63.8Low79.7Confident45 Ų4578.5 Ų78.537%0.37243%0.429SS..THydrogen-bonded Turntrans-61.5-26.6172.200000112.5Q36 G81A34-Q36 VanDerWaalsContact C-N 3.35Å; A34-G81 PolarHBondContact O-N 2.92Å
35T67.6Low79.8Confident62 Ų6278.1 Ų78.138%0.3842%0.419SS..THydrogen-bonded Turntrans-86.9-2.317651.70000113.5F33 L37 T307F33-T35 PolarHBondContact O-N 3.21Å; T35-L37 PolarHBondContact O-N 3.06Å; T35-T307 HydrophobicContact CG2-CG2 4.28Å
36Q77.4Confident79.8Confident80 Ų8080.7 Ų80.737%0.37443%0.43SS..  trans-66.9131.5178.9-172.3173.1-400110.3M32 F33 A34 Q80M32-Q36 PolarHBondContact SD-OE1 2.86Å; F33-Q36 HydrophobicContact CB-CB 4.26Å; F33-Q36 WeakPolarHBondContact O-CB 3.48Å; F33-Q36 PolarHBondContact O-N 2.95Å; A34-Q36 VanDerWaalsContact C-N 3.35Å; Q36-Q80 PolarHBondContact O-N 2.76Å
37L78.1Confident80.2Confident98 Ų9881.3 Ų81.351%0.51343%0.427SS..BIsolated β-bridgetrans-69135.5174.5-66.8175.2000110.2T35 E77 L78 T79T35-L37 PolarHBondContact O-N 3.06Å; L37-E77 HydrophobicContact CD2-CB 3.93Å; L37-L78 WeakPolarHBondContact CA-O 3.43Å; L37-T79 HydrophobicContact CD2-CG2 4.19Å
38V79.1Confident80.5Confident18 Ų1876 Ų7611%0.10941%0.407CS..  trans-112.4124.1-179.4-176.40000108.5P40 L43 L78 Q80V38-P40 WeakPolarHBondContact O-CD 3.35Å; V38-L43 HydrophobicContact CG1-CD1 3.98Å; V38-L43 HydrophobicContact CG1-CD2 4.08Å; V38-L43 HydrophobicContact CG1-CG 4.11Å; V38-L78 HydrophobicContact CB-CD2 4.2Å; V38-L78 HydrophobicContact CB-CG 4.28Å; V38-L78 HydrophobicContact CG1-CD2 4.35Å; V38-L78 PolarHBondContact N-O 3.09Å; V38-Q80 HydrophobicContact CG2-CB 3.89Å
39D80.4Confident80.6Confident91 Ų9169.9 Ų69.949%0.48738%0.384SS..  trans-70.6119.3174.6-178.1-8.3000110.2V41 T42D39-V41 PolarHBondContact O-N 3.33Å; D39-V41 WeakPolarHBondContact OD1-CB 3.3Å; D39-V41 WeakPolarHBondContact OD1-CG2 3.39Å; D39-V41 PolarHBondContact OD1-N 3.46Å; D39-T42 HydrophobicContact CB-CG2 4.08Å; D39-T42 PolarHBondContact O-N 2.81Å; D39-T42 PolarHBondContact O-OG1 3.18Å
40P81.5Confident80.7Confident19 Ų1963.9 Ų63.912%0.12336%0.358CS..G310 helixtrans-61.6-25.2-17926.1-35.7000113.4V38 T42 L43 L48 V72V38-P40 WeakPolarHBondContact O-CD 3.35Å; P40-T42 PolarHBondContact O-N 3.27Å; P40-L43 PolarHBondContact O-N 3.43Å; P40-L48 HydrophobicContact CB-CD2 3.81Å; P40-V72 HydrophobicContact CB-CG1 4.22Å
41V84.3Confident81.1Confident89 Ų8960 Ų6054%0.53933%0.334SS..G310 helixtrans-65.7-30.3-179-178.80000111.4D39 L43 K65D39-V41 PolarHBondContact O-N 3.33Å; D39-V41 WeakPolarHBondContact OD1-CB 3.3Å; D39-V41 WeakPolarHBondContact OD1-CG2 3.39Å; D39-V41 PolarHBondContact OD1-N 3.46Å; V41-L43 VanDerWaalsContact C-N 3.29Å; V41-L43 PolarHBondContact O-N 2.95Å; V41-K65 WeakPolarHBondContact O-CE 3.4Å; V41-K65 PolarHBondContact O-NZ 3.34Å
42T85.7Confident81.7Confident102 Ų10257.6 Ų57.663%0.62631%0.309SS*.G310 helixtrans-74.7-19.2-179.869.40000113.3D39 P40D39-T42 HydrophobicContact CB-CG2 4.08Å; D39-T42 PolarHBondContact O-N 2.81Å; D39-T42 PolarHBondContact O-OG1 3.18Å; P40-T42 PolarHBondContact O-N 3.27Å
43L86.4Confident82.3Confident13 Ų1356.9 Ų56.97%0.06831%0.305CS..SBendtrans-82.5156.6-173.4-64.7177.3000112.8V38 P40 V41 K47 L48 I51 K65 L78 L83V38-L43 HydrophobicContact CG1-CD1 3.98Å; V38-L43 HydrophobicContact CG1-CD2 4.08Å; V38-L43 HydrophobicContact CG1-CG 4.11Å; P40-L43 PolarHBondContact O-N 3.43Å; V41-L43 VanDerWaalsContact C-N 3.29Å; V41-L43 PolarHBondContact O-N 2.95Å; L43-K47 HydrophobicContact CB-CB 4.43Å; L43-K47 HydrophobicContact CD2-CD 4.14Å; L43-L48 HydrophobicContact CB-CD2 4.11Å; L43-L48 HydrophobicContact CB-CG 4.11Å; L43-L48 HydrophobicContact CD1-CD2 4.18Å; L43-I51 HydrophobicContact CD1-CD1 4.11Å; L43-K65 WeakPolarHBondContact O-CE 3.35Å; L43-K65 PolarHBondContact O-NZ 3.47Å; L43-L78 HydrophobicContact CD1-CD2 3.41Å; L43-L78 VanDerWaalsContact CD1-CD2 3.41Å; L43-L83 HydrophobicContact CD1-CD1 4.31Å; L43-L83 HydrophobicContact CD1-CD2 4.43Å; L43-L83 HydrophobicContact CD2-CD2 3.96Å
44S88.7Confident83Confident59 Ų5953.8 Ų53.841%0.41330%0.295SS..  trans-74153173.366.80000110.9N46 K47 L48S44-N46 VanDerWaalsContact C-N 3.26Å; S44-N46 PolarHBondContact O-N 3.4Å; S44-K47 PolarHBondContact O-N 3.34Å; S44-K47 WeakPolarHBondContact OG-CG 3.22Å; S44-L48 PolarHBondContact O-N 2.9Å; S44-L48 VanDerWaalsContact O-N 3.09Å
45Y88.3Confident84.1Confident76 Ų7651.8 Ų51.830%0.29828%0.278SS..Hα-helixtrans-52.6-43.7178.5179.5-94.9000112.6K47 L48 K49 L62 K65 V68Y45-K47 VanDerWaalsContact C-N 3.33Å; Y45-K47 PolarHBondContact O-N 3.42Å; Y45-L48 PolarHBondContact O-N 3.06Å; Y45-K49 WeakPolarHBondContact O-CB 3.38Å; Y45-K49 PolarHBondContact O-N 3.06Å; Y45-L62 PolarHBondContact OH-O 3.4Å; Y45-K65 HydrophobicContact CD2-CB 4.28Å; Y45-V68 HydrophobicContact CD2-CG2 4.46Å; Y45-V68 HydrophobicContact CE2-CB 4.31Å; Y45-V68 HydrophobicContact CE2-CG2 3.68Å
46N87.1Confident84.8Confident114 Ų11449 Ų4961%0.6126%0.262SS*.Hα-helixtrans-63.7-36.4178.9-68.7-14.2000112.8S44 K49 T50S44-N46 VanDerWaalsContact C-N 3.26Å; S44-N46 PolarHBondContact O-N 3.4Å; N46-K49 WeakPolarHBondContact O-CB 3.19Å; N46-K49 PolarHBondContact O-N 3.03Å; N46-T50 WeakPolarHBondContact O-CG2 3.45Å; N46-T50 PolarHBondContact O-N 3.13Å; N46-T50 PolarHBondContact O-OG1 3.34Å
47K88.8Confident85.1Confident89 Ų8946.1 Ų46.139%0.38725%0.249SC..Hα-helixtrans-67.5-43.2176-72.7178.4-179.7-1760111.1L43 S44 Y45 K49 T50 I51 L83L43-K47 HydrophobicContact CB-CB 4.43Å; L43-K47 HydrophobicContact CD2-CD 4.14Å; S44-K47 PolarHBondContact O-N 3.34Å; S44-K47 WeakPolarHBondContact OG-CG 3.22Å; Y45-K47 VanDerWaalsContact C-N 3.33Å; Y45-K47 PolarHBondContact O-N 3.42Å; K47-K49 VanDerWaalsContact C-N 3.33Å; K47-K49 PolarHBondContact O-N 3.02Å; K47-T50 WeakPolarHBondContact CA-OG1 3.28Å; K47-T50 PolarHBondContact O-N 3.1Å; K47-T50 PolarHBondContact O-OG1 3.28Å; K47-I51 WeakPolarHBondContact O-CD1 3.07Å; K47-I51 WeakPolarHBondContact O-CG1 3.33Å; K47-I51 PolarHBondContact O-N 3.41Å; K47-I51 VanDerWaalsContact O-N 3.11Å; K47-L83 HydrophobicContact CB-CD1 4.43Å
48L89.3Confident85Confident0 Ų043.6 Ų43.60%025%0.247CC..Hα-helixtrans-61.9-42.6175.6-65.9170.4000111.6P40 L43 S44 Y45 T50 I51 L52 K65 V68 V72P40-L48 HydrophobicContact CB-CD2 3.81Å; L43-L48 HydrophobicContact CB-CD2 4.11Å; L43-L48 HydrophobicContact CB-CG 4.11Å; L43-L48 HydrophobicContact CD1-CD2 4.18Å; S44-L48 PolarHBondContact O-N 2.9Å; S44-L48 VanDerWaalsContact O-N 3.09Å; Y45-L48 PolarHBondContact O-N 3.06Å; L48-T50 PolarHBondContact O-N 3.33Å; L48-I51 PolarHBondContact O-N 3.04Å; L48-L52 PolarHBondContact O-N 3.18Å; L48-K65 HydrophobicContact CD1-CG 4.22Å; L48-V68 HydrophobicContact CB-CG1 3.74Å; L48-V68 HydrophobicContact CD1-CG1 4.5Å; L48-V72 HydrophobicContact CD2-CG2 4.08Å
49K87.9Confident84.7Confident68 Ų6844 Ų4430%0.29625%0.247SC..Hα-helixtrans-56.3-49.2173.8-174.5-169.5179.9-167.40111.7Y45 N46 K47 I51 L52 E53 Y59Y45-K49 WeakPolarHBondContact O-CB 3.38Å; Y45-K49 PolarHBondContact O-N 3.06Å; N46-K49 WeakPolarHBondContact O-CB 3.19Å; N46-K49 PolarHBondContact O-N 3.03Å; K47-K49 VanDerWaalsContact C-N 3.33Å; K47-K49 PolarHBondContact O-N 3.02Å; K49-I51 VanDerWaalsContact C-N 3.26Å; K49-I51 PolarHBondContact O-N 3.06Å; K49-L52 PolarHBondContact O-N 3.49Å; K49-E53 VanDerWaalsContact CE-OE1 3.23Å; K49-E53 WeakPolarHBondContact CE-OE1 3.49Å; K49-E53 IonicContact NZ-OE1 2.63Å; K49-E53 WeakPolarHBondContact O-CB 3.4Å; K49-E53 WeakPolarHBondContact O-CG 3.12Å; K49-E53 PolarHBondContact O-N 3.26Å; K49-Y59 HydrophobicContact CD-CE2 4.33Å; K49-Y59 WeakPolarHBondContact CE-OH 3.36Å; K49-Y59 HydrophobicContact CG-CE1 4.06Å; K49-Y59 HydrophobicContact CG-CE2 4.1Å
50T86.7Confident84Confident29 Ų2942.3 Ų42.318%0.17824%0.239CC..Hα-helixtrans-62.3-32.717951.30000113N46 K47 L48 C54 A90N46-T50 WeakPolarHBondContact O-CG2 3.45Å; N46-T50 PolarHBondContact O-N 3.13Å; N46-T50 PolarHBondContact O-OG1 3.34Å; K47-T50 WeakPolarHBondContact CA-OG1 3.28Å; K47-T50 PolarHBondContact O-N 3.1Å; K47-T50 PolarHBondContact O-OG1 3.28Å; L48-T50 PolarHBondContact O-N 3.33Å; T50-C54 PolarHBondContact O-N 2.97Å; T50-C54 PolarHBondContact O-SG 3.08Å; T50-A90 HydrophobicContact CG2-CB 4.36Å
51I87.8Confident83.4Confident0 Ų045.2 Ų45.20%027%0.273CS..Hα-helixtrans-69.5-48.3175.8-66.8158.3000110.5L43 K47 L48 K49 E53 C54 R55 V72 L78 L83L43-I51 HydrophobicContact CD1-CD1 4.11Å; K47-I51 WeakPolarHBondContact O-CD1 3.07Å; K47-I51 WeakPolarHBondContact O-CG1 3.33Å; K47-I51 PolarHBondContact O-N 3.41Å; K47-I51 VanDerWaalsContact O-N 3.11Å; L48-I51 PolarHBondContact O-N 3.04Å; K49-I51 VanDerWaalsContact C-N 3.26Å; K49-I51 PolarHBondContact O-N 3.06Å; I51-E53 PolarHBondContact O-N 2.87Å; I51-C54 PolarHBondContact O-N 3.47Å; I51-C54 VanDerWaalsContact O-N 3.08Å; I51-R55 WeakPolarHBondContact O-CG 3.47Å; I51-R55 PolarHBondContact O-N 2.72Å; I51-V72 HydrophobicContact CG2-CG1 4.47Å; I51-L78 HydrophobicContact CD1-CD1 3.71Å; I51-L78 HydrophobicContact CD1-CD2 3.59Å; I51-L78 HydrophobicContact CD1-CG 4.32Å; I51-L78 HydrophobicContact CG1-CD1 4.19Å; I51-L78 HydrophobicContact CG2-CD1 4.06Å; I51-L83 HydrophobicContact CD1-CD1 3.88Å; I51-L83 HydrophobicContact CG1-CD1 4.37Å
52L87.2Confident82.9Confident0 Ų043.4 Ų43.40%026%0.26CS..Hα-helixtrans-60.8-37176.8-70.7178.4000111.8L48 K49 R55 G56 L57 Y59 V68 L71 V72L48-L52 PolarHBondContact O-N 3.18Å; K49-L52 PolarHBondContact O-N 3.49Å; L52-R55 CarbonylContact O-C 3.56Å; L52-R55 PolarHBondContact O-N 3.26Å; L52-G56 PolarHBondContact O-N 3.2Å; L52-L57 HydrophobicContact CD2-CB 4.27Å; L52-L57 HydrophobicContact CD2-CD1 4.09Å; L52-L57 PolarHBondContact O-N 3.18Å; L52-Y59 HydrophobicContact CB-CD1 4.39Å; L52-V68 HydrophobicContact CD1-CG1 3.6Å; L52-L71 HydrophobicContact CD1-CD2 4.02Å; L52-L71 HydrophobicContact CD2-CB 4.44Å; L52-L71 HydrophobicContact CD2-CD2 4.17Å; L52-L71 HydrophobicContact CD2-CG 4.03Å; L52-V72 HydrophobicContact CD1-CG2 4.22Å; L52-V72 HydrophobicContact CD2-CB 4.46Å; L52-V72 HydrophobicContact CD2-CG2 3.55Å; L52-V72 HydrophobicContact CG-CG2 3.63Å
53E85.9Confident82.3Confident49 Ų4942.9 Ų42.923%0.22927%0.266CS..Hα-helixtrans-63.4-43.6172.3-74.6176.2169.700111.7K49 I51 R55 G56 Y59 F151K49-E53 VanDerWaalsContact CE-OE1 3.23Å; K49-E53 WeakPolarHBondContact CE-OE1 3.49Å; K49-E53 IonicContact NZ-OE1 2.63Å; K49-E53 WeakPolarHBondContact O-CB 3.4Å; K49-E53 WeakPolarHBondContact O-CG 3.12Å; K49-E53 PolarHBondContact O-N 3.26Å; I51-E53 PolarHBondContact O-N 2.87Å; E53-R55 VanDerWaalsContact C-N 3.34Å; E53-R55 PolarHBondContact O-N 3.32Å; E53-G56 PolarHBondContact O-N 3.18Å; E53-Y59 HydrophobicContact CG-CE1 3.6Å; E53-Y59 PolarHBondContact OE1-OH 2.9Å; E53-F151 VanDerWaalsContact O-CZ 3.25Å; E53-F151 WeakPolarHBondContact O-CZ 3.36Å
54C82.1Confident82.2Confident29 Ų2947.9 Ų47.920%0.19629%0.289CS..Hα-helixtrans-65.5-35.1175.5-71.50000112.8T50 I51 A86T50-C54 PolarHBondContact O-N 2.97Å; T50-C54 PolarHBondContact O-SG 3.08Å; I51-C54 PolarHBondContact O-N 3.47Å; I51-C54 VanDerWaalsContact O-N 3.08Å; C54-A86 HydrophobicContact CB-CB 4.42Å
55R85.2Confident82.2Confident2 Ų249 Ų491%0.00829%0.287CS..Hα-helixtrans-77.2-11.5173-66.3-179.5-179.5-174.1-5.3112.2I51 L52 E53 V72 S75 G76 E77 E82 P251 F253I51-R55 WeakPolarHBondContact O-CG 3.47Å; I51-R55 PolarHBondContact O-N 2.72Å; L52-R55 CarbonylContact O-C 3.56Å; L52-R55 PolarHBondContact O-N 3.26Å; E53-R55 VanDerWaalsContact C-N 3.34Å; E53-R55 PolarHBondContact O-N 3.32Å; R55-V72 PolarHBondContact NH1-O 3.22Å; R55-V72 VanDerWaalsContact NH1-O 3.16Å; R55-S75 WeakPolarHBondContact CD-OG 3.3Å; R55-S75 PolarHBondContact NH1-OG 3.39Å; R55-G76 PolarHBondContact NH1-O 2.86Å; R55-G76 PolarHBondContact NH2-O 3.5Å; R55-E77 PolarHBondContact NH2-O 3.28Å; R55-E82 IonicContact CZ-OE1 2.87Å; R55-E82 VanDerWaalsContact CZ-OE1 3.29Å; R55-E82 IonicContact CZ-OE2 2.7Å; R55-E82 IonicContact NE-OE1 3.34Å; R55-E82 PolarHBondContact NE-OE1 3.02Å; R55-E82 IonicContact NE-OE2 3.95Å; R55-E82 VanDerWaalsContact NH2-CD 3.28Å; R55-E82 IonicContact NH2-OE1 3.6Å; R55-E82 PolarHBondContact NH2-OE1 3.03Å; R55-E82 IonicContact NH2-OE2 2.81Å; R55-E82 PolarHBondContact NH2-OE2 3.44Å; R55-P251 WeakPolarHBondContact O-CB 3.18Å; R55-F253 HydrophobicContact CB-CE1 4.34Å; R55-F253 VanDerWaalsContact O-CD1 3.23Å; R55-F253 WeakPolarHBondContact O-CD1 3.43Å
56G82.1Confident82.1Confident5 Ų552.9 Ų52.95%0.05231%0.305CS..THydrogen-bonded Turntrans66.235.4178.800000114L52 E53 A252L52-G56 PolarHBondContact O-N 3.2Å; E53-G56 PolarHBondContact O-N 3.18Å; G56-A252 WeakPolarHBondContact O-CB 3.41Å; G56-A252 PolarHBondContact O-N 3.4Å
57L83.8Confident82.1Confident18 Ų1850.1 Ų50.19%0.09429%0.29CS..  trans-95.8133.6172-67.3174.3000109.7L52 Y59 L247 P251L52-L57 HydrophobicContact CD2-CB 4.27Å; L52-L57 HydrophobicContact CD2-CD1 4.09Å; L52-L57 PolarHBondContact O-N 3.18Å; L57-Y59 PolarHBondContact O-N 2.97Å; L57-L247 HydrophobicContact CD1-CD1 4.17Å; L57-L247 HydrophobicContact CD1-CD2 4.17Å; L57-L247 HydrophobicContact CD2-CD1 4.08Å; L57-L247 HydrophobicContact CD2-CD2 4.48Å; L57-P251 HydrophobicContact CD2-CB 4.19Å; L57-P251 HydrophobicContact CD2-CG 4.18Å
58G75.9Confident82.1Confident46 Ų4646 Ų4647%0.47427%0.272SS..  trans-73.8124.3174.500000110.7
59Y74.1Confident82Confident27 Ų2746.6 Ų46.611%0.10628%0.277CS..  trans-107.610.8176.257.6-91000112.4K49 L52 E53 L57 G61 L62K49-Y59 HydrophobicContact CD-CE2 4.33Å; K49-Y59 WeakPolarHBondContact CE-OH 3.36Å; K49-Y59 HydrophobicContact CG-CE1 4.06Å; K49-Y59 HydrophobicContact CG-CE2 4.1Å; L52-Y59 HydrophobicContact CB-CD1 4.39Å; E53-Y59 HydrophobicContact CG-CE1 3.6Å; E53-Y59 PolarHBondContact OE1-OH 2.9Å; L57-Y59 PolarHBondContact O-N 2.97Å; Y59-G61 PolarHBondContact O-N 3.23Å; Y59-L62 PolarHBondContact O-N 3.03Å; Y59-L62 VanDerWaalsContact O-N 3.11Å
60T65Low82.1Confident54 Ų5447.6 Ų47.633%0.33128%0.283SS..THydrogen-bonded Turntrans-64.4119.6-177.447.40000111.2E204T60-E204 HydrophobicContact CG2-CB 3.82Å; T60-E204 HydrophobicContact CG2-CG 4.1Å
61G68.4Low82.1Confident81 Ų8147.7 Ų47.784%0.83528%0.282SS*.THydrogen-bonded Turntrans103.2-8.9-176.500000114.9Y59Y59-G61 PolarHBondContact O-N 3.23Å
62L75Confident82.1Confident51 Ų5147.8 Ų47.827%0.26728%0.282SS..  trans-93.197.7173.2-58.9179.6000109.2Y45 Y59 D67 V68 L71Y45-L62 PolarHBondContact OH-O 3.4Å; Y59-L62 PolarHBondContact O-N 3.03Å; Y59-L62 VanDerWaalsContact O-N 3.11Å; L62-D67 HydrophobicContact CB-CB 4.25Å; L62-D67 HydrophobicContact CD1-CB 4.28Å; L62-D67 HydrophobicContact CD2-CB 3.72Å; L62-D67 HydrophobicContact CG-CB 4.29Å; L62-V68 HydrophobicContact CB-CG2 3.93Å; L62-L71 HydrophobicContact CD1-CD2 3.89Å
63A72.5Confident82.2Confident91 Ų9154.1 Ų54.175%0.75231%0.312SS*.  trans-84.9-26.8177.300000112.1
64E85.5Confident82.1Confident117 Ų11755.2 Ų55.255%0.54732%0.316SS..SBendtrans-85.5139.1-175.1-61.1-165.3-174.600112.1K66 D67 V68E64-K66 PolarHBondContact O-N 2.86Å; E64-D67 PolarHBondContact O-N 3.16Å; E64-V68 PolarHBondContact O-N 3.25Å
65K87.4Confident82.2Confident84 Ų8453.9 Ų53.937%0.36531%0.307SS..Hα-helixtrans-58.1-35.1174.4177.6-179.3163.5-179.60111.7V41 L43 Y45 L48 V68 S69V41-K65 WeakPolarHBondContact O-CE 3.4Å; V41-K65 PolarHBondContact O-NZ 3.34Å; L43-K65 WeakPolarHBondContact O-CE 3.35Å; L43-K65 PolarHBondContact O-NZ 3.47Å; Y45-K65 HydrophobicContact CD2-CB 4.28Å; L48-K65 HydrophobicContact CD1-CG 4.22Å; K65-V68 PolarHBondContact O-N 2.76Å; K65-S69 PolarHBondContact O-N 3.21Å; K65-S69 PolarHBondContact O-OG 2.88Å; K65-S69 VanDerWaalsContact O-OG 3.08Å
66K87.1Confident82.1Confident156 Ų15654 Ų5468%0.67831%0.308SS*.Hα-helixtrans-62.3-48.3-177.9-70.2-176.7178.4178.40111.6E64 V68 S69 E70E64-K66 PolarHBondContact O-N 2.86Å; K66-V68 VanDerWaalsContact C-N 3.29Å; K66-V68 PolarHBondContact O-N 3.16Å; K66-S69 WeakPolarHBondContact CA-OG 3.5Å; K66-S69 PolarHBondContact O-N 3.04Å; K66-S69 PolarHBondContact O-OG 2.87Å; K66-E70 WeakPolarHBondContact O-CB 3.45Å; K66-E70 PolarHBondContact O-N 3.08Å
67D87.1Confident82.1Confident57 Ų5758.6 Ų58.631%0.30533%0.328SS..Hα-helixtrans-65.1-37.2-179.6-52-18000111.7L62 E64 E70 L71L62-D67 HydrophobicContact CB-CB 4.25Å; L62-D67 HydrophobicContact CD1-CB 4.28Å; L62-D67 HydrophobicContact CD2-CB 3.72Å; L62-D67 HydrophobicContact CG-CB 4.29Å; E64-D67 PolarHBondContact O-N 3.16Å; D67-E70 PolarHBondContact O-N 2.66Å; D67-L71 WeakPolarHBondContact O-CB 3.44Å; D67-L71 PolarHBondContact O-N 3.48Å
68V88.1Confident82.1Confident1 Ų158.1 Ų58.11%0.00633%0.326CS..Hα-helixtrans-67.4-42.9175.8176.50000111Y45 L48 L52 L62 E64 K65 K66 E70 L71 V72Y45-V68 HydrophobicContact CD2-CG2 4.46Å; Y45-V68 HydrophobicContact CE2-CB 4.31Å; Y45-V68 HydrophobicContact CE2-CG2 3.68Å; L48-V68 HydrophobicContact CB-CG1 3.74Å; L48-V68 HydrophobicContact CD1-CG1 4.5Å; L52-V68 HydrophobicContact CD1-CG1 3.6Å; L62-V68 HydrophobicContact CB-CG2 3.93Å; E64-V68 PolarHBondContact O-N 3.25Å; K65-V68 PolarHBondContact O-N 2.76Å; K66-V68 VanDerWaalsContact C-N 3.29Å; K66-V68 PolarHBondContact O-N 3.16Å; V68-E70 VanDerWaalsContact C-N 3.35Å; V68-L71 PolarHBondContact O-N 2.93Å; V68-V72 WeakPolarHBondContact O-CG2 3.46Å; V68-V72 PolarHBondContact O-N 3.36Å
69S88.1Confident82.4Confident14 Ų1457 Ų5710%0.09831%0.31CS..Hα-helixtrans-64.3-39.917550.10000112.3K65 K66 L71 V72 E73K65-S69 PolarHBondContact O-N 3.21Å; K65-S69 PolarHBondContact O-OG 2.88Å; K65-S69 VanDerWaalsContact O-OG 3.08Å; K66-S69 WeakPolarHBondContact CA-OG 3.5Å; K66-S69 PolarHBondContact O-N 3.04Å; K66-S69 PolarHBondContact O-OG 2.87Å; S69-L71 VanDerWaalsContact C-N 3.32Å; S69-L71 PolarHBondContact O-N 3.32Å; S69-V72 PolarHBondContact O-N 2.83Å; S69-E73 PolarHBondContact O-N 3.11Å
70E88.6Confident82.7Confident89 Ų8958.3 Ų58.342%0.41632%0.317SS..Hα-helixtrans-64-39.4176.4-172.2-171.5178.400111K66 D67 V68 V72 E73 K74K66-E70 WeakPolarHBondContact O-CB 3.45Å; K66-E70 PolarHBondContact O-N 3.08Å; D67-E70 PolarHBondContact O-N 2.66Å; V68-E70 VanDerWaalsContact C-N 3.35Å; E70-V72 VanDerWaalsContact C-N 3.35Å; E70-E73 PolarHBondContact O-N 2.87Å; E70-K74 VanDerWaalsContact CD-NZ 3.28Å; E70-K74 HydrophobicContact CG-CD 4.29Å; E70-K74 WeakPolarHBondContact O-CB 3.33Å; E70-K74 VanDerWaalsContact O-CG 3.32Å; E70-K74 WeakPolarHBondContact O-CG 3.36Å; E70-K74 PolarHBondContact O-N 2.97Å; E70-K74 WeakPolarHBondContact OE1-CE 3.47Å; E70-K74 IonicContact OE1-NZ 3.88Å; E70-K74 PolarHBondContact OE1-NZ 3.43Å; E70-K74 IonicContact OE2-NZ 3.55Å
71L87.3Confident83.2Confident31 Ų3156.3 Ų56.316%0.16231%0.308CS..Hα-helixtrans-66.1-37.6176-171.862.4000112.1L52 L62 D67 V68 S69 S75 L247L52-L71 HydrophobicContact CD1-CD2 4.02Å; L52-L71 HydrophobicContact CD2-CB 4.44Å; L52-L71 HydrophobicContact CD2-CD2 4.17Å; L52-L71 HydrophobicContact CD2-CG 4.03Å; L62-L71 HydrophobicContact CD1-CD2 3.89Å; D67-L71 WeakPolarHBondContact O-CB 3.44Å; D67-L71 PolarHBondContact O-N 3.48Å; V68-L71 PolarHBondContact O-N 2.93Å; S69-L71 VanDerWaalsContact C-N 3.32Å; S69-L71 PolarHBondContact O-N 3.32Å; L71-S75 WeakPolarHBondContact O-CB 3.49Å; L71-S75 PolarHBondContact O-N 2.82Å; L71-S75 VanDerWaalsContact O-N 3.08Å; L71-S75 PolarHBondContact O-OG 3.1Å; L71-L247 HydrophobicContact CD1-CD2 3.62Å
72V88.7Confident83.8Confident1 Ų152.7 Ų52.71%0.00627%0.269CS..Hα-helixtrans-62.1-48.3173.5172.10000110P40 L48 I51 L52 R55 V68 S69 E70 K74 S75 G76P40-V72 HydrophobicContact CB-CG1 4.22Å; L48-V72 HydrophobicContact CD2-CG2 4.08Å; I51-V72 HydrophobicContact CG2-CG1 4.47Å; L52-V72 HydrophobicContact CD1-CG2 4.22Å; L52-V72 HydrophobicContact CD2-CB 4.46Å; L52-V72 HydrophobicContact CD2-CG2 3.55Å; L52-V72 HydrophobicContact CG-CG2 3.63Å; R55-V72 PolarHBondContact NH1-O 3.22Å; R55-V72 VanDerWaalsContact NH1-O 3.16Å; V68-V72 WeakPolarHBondContact O-CG2 3.46Å; V68-V72 PolarHBondContact O-N 3.36Å; S69-V72 PolarHBondContact O-N 2.83Å; E70-V72 VanDerWaalsContact C-N 3.35Å; V72-K74 PolarHBondContact O-N 3.3Å; V72-S75 WeakPolarHBondContact CA-OG 3.3Å; V72-S75 PolarHBondContact O-N 3.29Å; V72-S75 PolarHBondContact O-OG 3.45Å; V72-G76 PolarHBondContact O-N 3.3Å; V72-G76 VanDerWaalsContact O-N 3.16Å
73E87.8Confident84.3Confident133 Ų13350.7 Ų50.762%0.62126%0.258SS*.Hα-helixtrans-59.3-46.4178.1-169.1177.7-179.800111.9S69 E70 S75 G76S69-E73 PolarHBondContact O-N 3.11Å; E70-E73 PolarHBondContact O-N 2.87Å; E73-S75 PolarHBondContact O-N 3.08Å; E73-G76 PolarHBondContact O-N 3.37Å
74K84.9Confident84.7Confident73 Ų7354 Ų5432%0.31725%0.253SS..Hα-helixtrans-62.7-22.9175.2-73.6174.9-177.7168.60114E70 V72 T245 H246 L247 P290E70-K74 VanDerWaalsContact CD-NZ 3.28Å; E70-K74 HydrophobicContact CG-CD 4.29Å; E70-K74 WeakPolarHBondContact O-CB 3.33Å; E70-K74 VanDerWaalsContact O-CG 3.32Å; E70-K74 WeakPolarHBondContact O-CG 3.36Å; E70-K74 PolarHBondContact O-N 2.97Å; E70-K74 WeakPolarHBondContact OE1-CE 3.47Å; E70-K74 IonicContact OE1-NZ 3.88Å; E70-K74 PolarHBondContact OE1-NZ 3.43Å; E70-K74 IonicContact OE2-NZ 3.55Å; V72-K74 PolarHBondContact O-N 3.3Å; K74-T245 PolarHBondContact O-OG1 2.89Å; K74-H246 HydrophobicContact CG-CB 4.41Å; K74-L247 HydrophobicContact CB-CD2 4.31Å; K74-P290 WeakPolarHBondContact O-CG 3.45Å
75S83.6Confident84.3Confident1 Ų150.1 Ų50.11%0.00724%0.238CC..Hα-helixtrans-90-15.3179.8710000114.2R55 L71 V72 E73 P290R55-S75 WeakPolarHBondContact CD-OG 3.3Å; R55-S75 PolarHBondContact NH1-OG 3.39Å; L71-S75 WeakPolarHBondContact O-CB 3.49Å; L71-S75 PolarHBondContact O-N 2.82Å; L71-S75 VanDerWaalsContact O-N 3.08Å; L71-S75 PolarHBondContact O-OG 3.1Å; V72-S75 WeakPolarHBondContact CA-OG 3.3Å; V72-S75 PolarHBondContact O-N 3.29Å; V72-S75 PolarHBondContact O-OG 3.45Å; E73-S75 PolarHBondContact O-N 3.08Å; S75-P290 WeakPolarHBondContact O-CG 3.4Å
76G83.7Confident84.1Confident3 Ų346.2 Ų46.23%0.03122%0.222CC..  trans137.2165.4169.200000113.2R55 V72 E73 P290R55-G76 PolarHBondContact NH1-O 2.86Å; R55-G76 PolarHBondContact NH2-O 3.5Å; V72-G76 PolarHBondContact O-N 3.3Å; V72-G76 VanDerWaalsContact O-N 3.16Å; E73-G76 PolarHBondContact O-N 3.37Å; G76-P290 VanDerWaalsContact N-CG 3.28Å
77E82Confident83.9Confident102 Ų10240.9 Ų40.948%0.47720%0.2SC..  trans-53.2141.5176.1-64.9-169.9160.300111.1L37 R55 Q288L37-E77 HydrophobicContact CD2-CB 3.93Å; R55-E77 PolarHBondContact NH2-O 3.28Å; E77-Q288 PolarHBondContact OE1-OE1 2.86Å
78L82.9Confident83.7Confident8 Ų840.4 Ų40.44%0.04220%0.196CC..  trans-105.1120.5179.8179.165.8000109.1L37 V38 L43 I51 E82L37-L78 WeakPolarHBondContact CA-O 3.43Å; V38-L78 HydrophobicContact CB-CD2 4.2Å; V38-L78 HydrophobicContact CB-CG 4.28Å; V38-L78 HydrophobicContact CG1-CD2 4.35Å; V38-L78 PolarHBondContact N-O 3.09Å; L43-L78 HydrophobicContact CD1-CD2 3.41Å; L43-L78 VanDerWaalsContact CD1-CD2 3.41Å; I51-L78 HydrophobicContact CD1-CD1 3.71Å; I51-L78 HydrophobicContact CD1-CD2 3.59Å; I51-L78 HydrophobicContact CD1-CG 4.32Å; I51-L78 HydrophobicContact CG1-CD1 4.19Å; I51-L78 HydrophobicContact CG2-CD1 4.06Å; L78-E82 HydrophobicContact CD1-CB 4.36Å; L78-E82 HydrophobicContact CD1-CG 4.33Å
79T81.8Confident83.1Confident22 Ų2243.4 Ų43.414%0.13521%0.208CC..BIsolated β-bridgetrans-98.6153.9174.557.50000111L37 G81 E82 L83 F310L37-T79 HydrophobicContact CD2-CG2 4.19Å; T79-G81 VanDerWaalsContact C-N 3.25Å; T79-G81 PolarHBondContact O-N 3.43Å; T79-E82 PolarHBondContact O-N 2.78Å; T79-E82 WeakPolarHBondContact OG1-CB 3.43Å; T79-E82 PolarHBondContact OG1-N 3.42Å; T79-L83 PolarHBondContact O-N 2.92Å; T79-L83 VanDerWaalsContact O-N 3.09Å; T79-F310 VanDerWaalsContact OG1-CD1 3.26Å; T79-F310 WeakPolarHBondContact OG1-CD1 3.42Å
80Q80.6Confident82.6Confident55 Ų5544.2 Ų44.226%0.25722%0.216SC..Hα-helixtrans-61.1-35.2177-17369.8-2.300112.2M32 Q36 V38 L83 Y84M32-Q80 HydrophobicContact CE-CG 3.94Å; Q36-Q80 PolarHBondContact O-N 2.76Å; V38-Q80 HydrophobicContact CG2-CB 3.89Å; Q80-L83 PolarHBondContact O-N 3.48Å; Q80-Y84 WeakPolarHBondContact O-CB 3.35Å; Q80-Y84 PolarHBondContact O-N 3.34Å
81G75.4Confident82.2Confident13 Ų1347.9 Ų47.913%0.13423%0.226CC..Hα-helixtrans-65.3-41.7175.900000112.7A34 T79 Y84 S85A34-G81 PolarHBondContact O-N 2.92Å; T79-G81 VanDerWaalsContact C-N 3.25Å; T79-G81 PolarHBondContact O-N 3.43Å; G81-Y84 PolarHBondContact O-N 2.9Å; G81-S85 WeakPolarHBondContact O-CB 3.39Å; G81-S85 PolarHBondContact O-N 2.99Å; G81-S85 PolarHBondContact O-OG 3Å
82E82.6Confident81.5Confident5 Ų550.8 Ų50.82%0.02324%0.238CC..Hα-helixtrans-61.1-47.8173-175.1-176.5166.800110.9R55 L78 T79 Y84 S85 A86 F310R55-E82 IonicContact CZ-OE1 2.87Å; R55-E82 VanDerWaalsContact CZ-OE1 3.29Å; R55-E82 IonicContact CZ-OE2 2.7Å; R55-E82 IonicContact NE-OE1 3.34Å; R55-E82 PolarHBondContact NE-OE1 3.02Å; R55-E82 IonicContact NE-OE2 3.95Å; R55-E82 VanDerWaalsContact NH2-CD 3.28Å; R55-E82 IonicContact NH2-OE1 3.6Å; R55-E82 PolarHBondContact NH2-OE1 3.03Å; R55-E82 IonicContact NH2-OE2 2.81Å; R55-E82 PolarHBondContact NH2-OE2 3.44Å; L78-E82 HydrophobicContact CD1-CB 4.36Å; L78-E82 HydrophobicContact CD1-CG 4.33Å; T79-E82 PolarHBondContact O-N 2.78Å; T79-E82 WeakPolarHBondContact OG1-CB 3.43Å; T79-E82 PolarHBondContact OG1-N 3.42Å; E82-Y84 VanDerWaalsContact C-N 3.34Å; E82-Y84 PolarHBondContact O-N 2.94Å; E82-S85 PolarHBondContact O-N 3.21Å; E82-S85 PolarHBondContact O-OG 3.21Å; E82-A86 WeakPolarHBondContact O-CB 3.49Å; E82-A86 PolarHBondContact O-N 2.63Å; E82-F310 HydrophobicContact CB-CD1 4.45Å
83L85.2Confident80.6Confident9 Ų953.4 Ų53.45%0.04725%0.251CS..Hα-helixtrans-57.4-46.5177.4175.866.3000111.7L43 K47 I51 T79 Q80 A86 I87L43-L83 HydrophobicContact CD1-CD1 4.31Å; L43-L83 HydrophobicContact CD1-CD2 4.43Å; L43-L83 HydrophobicContact CD2-CD2 3.96Å; K47-L83 HydrophobicContact CB-CD1 4.43Å; I51-L83 HydrophobicContact CD1-CD1 3.88Å; I51-L83 HydrophobicContact CG1-CD1 4.37Å; T79-L83 PolarHBondContact O-N 2.92Å; T79-L83 VanDerWaalsContact O-N 3.09Å; Q80-L83 PolarHBondContact O-N 3.48Å; L83-A86 PolarHBondContact O-N 3.16Å; L83-I87 HydrophobicContact CD1-CD1 3.81Å; L83-I87 HydrophobicContact CD1-CG1 4.32Å; L83-I87 HydrophobicContact CG-CD1 3.9Å; L83-I87 VanDerWaalsContact O-CG1 3.26Å; L83-I87 WeakPolarHBondContact O-CG1 3.44Å; L83-I87 PolarHBondContact O-N 3.47Å
84Y80.2Confident79.5Confident160 Ų16052.8 Ų52.863%0.62726%0.256SS*.Hα-helixtrans-62.3-44.5177.7-177.2-94.2000111.5Q80 G81 E82 A86 I87 K88Q80-Y84 WeakPolarHBondContact O-CB 3.35Å; Q80-Y84 PolarHBondContact O-N 3.34Å; G81-Y84 PolarHBondContact O-N 2.9Å; E82-Y84 VanDerWaalsContact C-N 3.34Å; E82-Y84 PolarHBondContact O-N 2.94Å; Y84-A86 VanDerWaalsContact C-N 3.34Å; Y84-A86 PolarHBondContact O-N 2.65Å; Y84-I87 PolarHBondContact O-N 3.11Å; Y84-K88 HydrophobicContact CE1-CD 4.36Å; Y84-K88 WeakPolarHBondContact O-CB 3.05Å; Y84-K88 PolarHBondContact O-N 2.89Å
85S78.3Confident78.6Confident36 Ų3657 Ų5725%0.25228%0.277SS..Hα-helixtrans-63-39.4178.977.90000112.5G81 E82 K89G81-S85 WeakPolarHBondContact O-CB 3.39Å; G81-S85 PolarHBondContact O-N 2.99Å; G81-S85 PolarHBondContact O-OG 3Å; E82-S85 PolarHBondContact O-N 3.21Å; E82-S85 PolarHBondContact O-OG 3.21Å; S85-K89 WeakPolarHBondContact O-CB 3.37Å; S85-K89 WeakPolarHBondContact O-CG 3.4Å; S85-K89 PolarHBondContact O-N 3.09Å
86A81.6Confident77.3Confident2 Ų258.9 Ų58.92%0.01729%0.293CS..Hα-helixtrans-66.3-43.8177.200000111.2C54 E82 L83 Y84 K89 A90C54-A86 HydrophobicContact CB-CB 4.42Å; E82-A86 WeakPolarHBondContact O-CB 3.49Å; E82-A86 PolarHBondContact O-N 2.63Å; L83-A86 PolarHBondContact O-N 3.16Å; Y84-A86 VanDerWaalsContact C-N 3.34Å; Y84-A86 PolarHBondContact O-N 2.65Å; A86-K89 PolarHBondContact O-N 3.26Å; A86-A90 WeakPolarHBondContact O-CB 3.48Å; A86-A90 PolarHBondContact O-N 3.19Å
87I84.5Confident75.7Confident44 Ų4461.2 Ų61.223%0.22632%0.316CS..Hα-helixtrans-66.1-44177.4-66.7167000111.1L83 Y84 K89 A90 R91L83-I87 HydrophobicContact CD1-CD1 3.81Å; L83-I87 HydrophobicContact CD1-CG1 4.32Å; L83-I87 HydrophobicContact CG-CD1 3.9Å; L83-I87 VanDerWaalsContact O-CG1 3.26Å; L83-I87 WeakPolarHBondContact O-CG1 3.44Å; L83-I87 PolarHBondContact O-N 3.47Å; Y84-I87 PolarHBondContact O-N 3.11Å; I87-K89 PolarHBondContact O-N 3.02Å; I87-A90 PolarHBondContact O-N 2.81Å; I87-R91 WeakPolarHBondContact O-CG 3.46Å; I87-R91 PolarHBondContact O-N 2.85Å
88K81.9Confident74.2Confident47 Ų4764 Ų6420%0.20434%0.335CS..Hα-helixtrans-57.8-49.5177.1178.5175.1170179.50110.5Y84 A90 R91 E92 H420Y84-K88 HydrophobicContact CE1-CD 4.36Å; Y84-K88 WeakPolarHBondContact O-CB 3.05Å; Y84-K88 PolarHBondContact O-N 2.89Å; K88-A90 VanDerWaalsContact C-N 3.34Å; K88-A90 PolarHBondContact O-N 3Å; K88-R91 WeakPolarHBondContact O-CB 3.44Å; K88-R91 PolarHBondContact O-N 2.81Å; K88-R91 VanDerWaalsContact O-N 3.15Å; K88-E92 WeakPolarHBondContact CE-OE1 3.31Å; K88-E92 HydrophobicContact CG-CG 4.46Å; K88-E92 IonicContact NZ-OE1 2.79Å; K88-E92 WeakPolarHBondContact O-CG 3.49Å; K88-E92 PolarHBondContact O-N 2.85Å; K88-H420 PolarHBondContact NZ-CE1 3.46Å; K88-H420 PolarHBondContact NZ-NE2 3.48Å
89K76.1Confident72.6Confident64 Ų6468 Ų6828%0.27836%0.363SS..Hα-helixtrans-60.5-40.8176.6-76.6-179177.9-179.20112.8S85 A86 I87 R91 E92 Q93S85-K89 WeakPolarHBondContact O-CB 3.37Å; S85-K89 WeakPolarHBondContact O-CG 3.4Å; S85-K89 PolarHBondContact O-N 3.09Å; A86-K89 PolarHBondContact O-N 3.26Å; I87-K89 PolarHBondContact O-N 3.02Å; K89-R91 VanDerWaalsContact C-N 3.32Å; K89-R91 PolarHBondContact O-N 2.79Å; K89-E92 PolarHBondContact O-N 2.68Å; K89-Q93 WeakPolarHBondContact O-CB 3.04Å; K89-Q93 VanDerWaalsContact O-CD 3.3Å; K89-Q93 WeakPolarHBondContact O-CG 3.45Å; K89-Q93 PolarHBondContact O-N 2.9Å; K89-Q93 PolarHBondContact O-NE2 3.04Å
90A78.1Confident71.5Confident30 Ų3068.6 Ų68.625%0.24837%0.368CS..Hα-helixtrans-64.1-36.8176.800000112.3T50 A86 I87 K88 T94T50-A90 HydrophobicContact CG2-CB 4.36Å; A86-A90 WeakPolarHBondContact O-CB 3.48Å; A86-A90 PolarHBondContact O-N 3.19Å; I87-A90 PolarHBondContact O-N 2.81Å; K88-A90 VanDerWaalsContact C-N 3.34Å; K88-A90 PolarHBondContact O-N 3Å; A90-T94 PolarHBondContact O-N 3.11Å; A90-T94 PolarHBondContact O-OG1 3.22Å
91R79Confident70.8Confident166 Ų16672.3 Ų72.363%0.62640%0.395SS*.Hα-helixtrans-68.2-49.5173.9-72.8-179.8177.8177.1-1.6111.9I87 K88 K89 Q93 T94 E95I87-R91 WeakPolarHBondContact O-CG 3.46Å; I87-R91 PolarHBondContact O-N 2.85Å; K88-R91 WeakPolarHBondContact O-CB 3.44Å; K88-R91 PolarHBondContact O-N 2.81Å; K88-R91 VanDerWaalsContact O-N 3.15Å; K89-R91 VanDerWaalsContact C-N 3.32Å; K89-R91 PolarHBondContact O-N 2.79Å; R91-Q93 PolarHBondContact O-N 3.16Å; R91-T94 WeakPolarHBondContact O-CA 3.43Å; R91-T94 WeakPolarHBondContact O-CB 3.33Å; R91-T94 PolarHBondContact O-N 3.2Å; R91-E95 PolarHBondContact O-N 3.47Å
92E73.3Confident71Confident92 Ų9273.7 Ų73.743%0.4340%0.401SS..Hα-helixtrans-56.1-36.3176.3-72.9171.7172.800111.6K88 K89 T94 E95 A96K88-E92 WeakPolarHBondContact CE-OE1 3.31Å; K88-E92 HydrophobicContact CG-CG 4.46Å; K88-E92 IonicContact NZ-OE1 2.79Å; K88-E92 WeakPolarHBondContact O-CG 3.49Å; K88-E92 PolarHBondContact O-N 2.85Å; K89-E92 PolarHBondContact O-N 2.68Å; E92-T94 VanDerWaalsContact C-N 3.34Å; E92-E95 PolarHBondContact O-N 3.37Å; E92-A96 WeakPolarHBondContact O-CB 3.16Å; E92-A96 PolarHBondContact O-N 3.11Å
93Q68.3Low71.1Confident57 Ų5775.7 Ų75.727%0.26641%0.414SS..Hα-helixtrans-69.3-30.8175.1-74.1162.83500113.8K89 R91 L146 Q150K89-Q93 WeakPolarHBondContact O-CB 3.04Å; K89-Q93 VanDerWaalsContact O-CD 3.3Å; K89-Q93 WeakPolarHBondContact O-CG 3.45Å; K89-Q93 PolarHBondContact O-N 2.9Å; K89-Q93 PolarHBondContact O-NE2 3.04Å; R91-Q93 PolarHBondContact O-N 3.16Å; Q93-L146 HydrophobicContact CG-CD2 4.5Å; Q93-Q150 VanDerWaalsContact CD-NE2 3.34Å
94T66.7Low71.3Confident119 Ų11978.8 Ų78.873%0.7344%0.44SS*.Hα-helixtrans-74.1-34.8176.3-50.40000110.4A90 R91 E92A90-T94 PolarHBondContact O-N 3.11Å; A90-T94 PolarHBondContact O-OG1 3.22Å; R91-T94 WeakPolarHBondContact O-CA 3.43Å; R91-T94 WeakPolarHBondContact O-CB 3.33Å; R91-T94 PolarHBondContact O-N 3.2Å; E92-T94 VanDerWaalsContact C-N 3.34Å
95E64.6Low71.7Confident162 Ų16271.5 Ų71.576%0.75741%0.412SS*.Hα-helixtrans-83.7-37.5-179-68.5174.5-171.500113.1R91 E92 G97R91-E95 PolarHBondContact O-N 3.47Å; E92-E95 PolarHBondContact O-N 3.37Å; E95-G97 PolarHBondContact O-N 2.99Å
96A57.1Low72Confident41 Ų4174.3 Ų74.334%0.33943%0.431SS..SBendtrans-79.131.3-179.300000113.8E92 N98 S99E92-A96 WeakPolarHBondContact O-CB 3.16Å; E92-A96 PolarHBondContact O-N 3.11Å; A96-N98 PolarHBondContact O-N 3.21Å; A96-S99 PolarHBondContact O-N 3.44Å
97G49.7Very low72.1Confident51 Ų5174.6 Ų74.653%0.52644%0.435SS..THydrogen-bonded Turntrans-43.1116.3178.500000111.9E95 S99E95-G97 PolarHBondContact O-N 2.99Å; G97-S99 PolarHBondContact O-N 3.31Å
98N51.5Low72.2Confident161 Ų16175.3 Ų75.386%0.86144%0.437SS*.THydrogen-bonded Turntrans74.62.5172-53.4-27.2000119A96A96-N98 PolarHBondContact O-N 3.21Å
99S49Very low72.5Confident91 Ų9181.1 Ų81.164%0.63647%0.467SS*.  trans-97.916-177.879.60000115.5A96 G97 T101A96-S99 PolarHBondContact O-N 3.44Å; G97-S99 PolarHBondContact O-N 3.31Å; S99-T101 PolarHBondContact O-N 2.97Å
100S58.7Low73.2Confident35 Ų3581 Ų8125%0.24547%0.467CS..SBendtrans-77.8111.7169.859.30000109.6T102 V145S100-T102 PolarHBondContact O-N 3.23Å; S100-V145 VanDerWaalsContact OG-CG1 3.29Å; S100-V145 WeakPolarHBondContact OG-CG1 3.46Å
101T65.1Low73.7Confident134 Ų13479.7 Ų79.782%0.82246%0.456SS*.  trans-65.8100.2-176.5460000111S99S99-T101 PolarHBondContact O-N 2.97Å
102T80.3Confident74.2Confident41 Ų4177.6 Ų77.625%0.25245%0.449SS..  trans-79.1133164.9-57.80000108.3S100 A104 W141 I157S100-T102 PolarHBondContact O-N 3.23Å; T102-A104 PolarHBondContact O-N 3.21Å; T102-W141 HydrophobicContact CG2-CZ2 4.34Å; T102-I157 HydrophobicContact CG2-CD1 3.79Å; T102-I157 HydrophobicContact CG2-CG1 3.76Å
103T83.9Confident75Confident48 Ų4878.9 Ų78.929%0.29446%0.455SS..EExtended strand (participates in β ladder)trans-76.6114.8176.459.20000109.7W123 T155 G156 I157T103-W123 HydrophobicContact CG2-CH2 4.19Å; T103-W123 HydrophobicContact CG2-CZ3 4.21Å; T103-W123 VanDerWaalsContact OG1-CZ3 3.29Å; T103-W123 WeakPolarHBondContact OG1-CZ3 3.35Å; T103-T155 PolarHBondContact N-O 3.31Å; T103-T155 VanDerWaalsContact N-O 3.15Å; T103-T155 PolarHBondContact OG1-O 3.03Å; T103-G156 CarbonylContact O-C 3.56Å; T103-G156 WeakPolarHBondContact O-CA 3.43Å; T103-G156 WeakPolarHBondContact OG1-CA 3.23Å; T103-I157 PolarHBondContact O-N 3.18Å
104A88.6Confident75.9Confident74 Ų7478.2 Ų78.261%0.61245%0.453SS*.EExtended strand (participates in β ladder)trans-79.4122.4167.600000108.8T102 S106T102-A104 PolarHBondContact O-N 3.21Å; A104-S106 PolarHBondContact O-N 2.72Å
105F89.3Confident76.9Confident7 Ų772.5 Ų72.53%0.03142%0.418CS..EExtended strand (participates in β ladder)trans-82118.1179.2-65.2-72.8000110.2G107 H110 F111 L114 V115 W123 V125 I157 L158F105-G107 VanDerWaalsContact C-N 3.34Å; F105-H110 AromaticContact CD1-ND1 3.79Å; F105-F111 HydrophobicContact CD1-CB 4.28Å; F105-F111 HydrophobicContact CD1-CD2 4.34Å; F105-F111 HydrophobicContact CD2-CD2 4.2Å; F105-F111 HydrophobicContact CE1-CD2 4.32Å; F105-F111 HydrophobicContact CE2-CD2 4.17Å; F105-F111 HydrophobicContact CG-CD2 4.29Å; F105-F111 HydrophobicContact CZ-CD2 4.24Å; F105-L114 HydrophobicContact CE1-CB 4.22Å; F105-L114 HydrophobicContact CE1-CD1 4.1Å; F105-V115 HydrophobicContact CE1-CG2 3.77Å; F105-V115 HydrophobicContact CE2-CG2 4.5Å; F105-V115 HydrophobicContact CZ-CG2 3.53Å; F105-W123 HydrophobicContact CZ-CE3 4.09Å; F105-W123 AromaticContact CZ-CZ3 3.94Å; F105-W123 HydrophobicContact CZ-CZ3 3.94Å; F105-V125 HydrophobicContact CD2-CG1 4.05Å; F105-V125 HydrophobicContact CE2-CB 4.29Å; F105-V125 HydrophobicContact CE2-CG1 3.66Å; F105-V125 HydrophobicContact CE2-CG2 3.66Å; F105-V125 HydrophobicContact CZ-CG2 4.05Å; F105-I157 WeakPolarHBondContact CD2-O 3.29Å; F105-I157 PolarHBondContact N-O 2.86Å; F105-L158 HydrophobicContact CB-CB 4.45Å; F105-L158 HydrophobicContact CB-CD1 3.56Å; F105-L158 HydrophobicContact CD2-CB 4.06Å; F105-L158 HydrophobicContact CG-CD1 4.36Å
106S84.2Confident77.9Confident94 Ų9467.1 Ų67.166%0.65739%0.393SS*.  trans-68.4-29.8178.2-46.80000113.7A104 H110A104-S106 PolarHBondContact O-N 2.72Å; S106-H110 PolarHBondContact N-ND1 3.25Å
107G84.6Confident79.2Confident9 Ų969.6 Ų69.69%0.09340%0.4CS..SBendtrans-179.1-174.6-179.600000115.1F105 M109 H110 F111 D163F105-G107 VanDerWaalsContact C-N 3.34Å; G107-M109 PolarHBondContact O-N 2.75Å; G107-H110 PolarHBondContact O-N 2.79Å; G107-F111 PolarHBondContact O-N 3.39Å; G107-D163 WeakPolarHBondContact CA-OD2 3.25Å
108E86.6Confident80.3Confident58 Ų5869.1 Ų69.127%0.27139%0.387SS..Hα-helixtrans-58.7-43-174.6-178174.4-168.800113H110 F111 Y112 D163 S166 R170E108-H110 PolarHBondContact O-N 3.09Å; E108-F111 PolarHBondContact O-N 2.88Å; E108-Y112 WeakPolarHBondContact O-CB 3.5Å; E108-Y112 PolarHBondContact O-N 2.88Å; E108-D163 PolarHBondContact N-OD2 3.29Å; E108-S166 VanDerWaalsContact OE2-CB 3.22Å; E108-S166 WeakPolarHBondContact OE2-CB 3.5Å; E108-S166 PolarHBondContact OE2-OG 3.2Å; E108-R170 IonicContact OE1-NE 3.85Å; E108-R170 IonicContact OE1-NH2 3.94Å
109M87.8Confident81Confident169 Ų16964.9 Ų64.983%0.83336%0.361SS*.Hα-helixtrans-63.7-42.3-179.1-66.6-175.4175.600111.8G107 F111 Y112 E113G107-M109 PolarHBondContact O-N 2.75Å; M109-F111 VanDerWaalsContact C-N 3.35Å; M109-Y112 PolarHBondContact O-N 2.79Å; M109-E113 WeakPolarHBondContact O-CB 3.21Å; M109-E113 PolarHBondContact O-N 2.74Å
110H90.3Very high81.8Confident62 Ų6266.1 Ų66.129%0.28736%0.361SS..Hα-helixtrans-67.5-36.4178.5-175.9-134.9000111.8F105 S106 G107 E108 L114F105-H110 AromaticContact CD1-ND1 3.79Å; S106-H110 PolarHBondContact N-ND1 3.25Å; G107-H110 PolarHBondContact O-N 2.79Å; E108-H110 PolarHBondContact O-N 3.09Å; H110-L114 WeakPolarHBondContact NE2-CD1 2.94Å; H110-L114 WeakPolarHBondContact O-CB 3.31Å; H110-L114 PolarHBondContact O-N 2.93Å
111F90.1Very high82.8Confident2 Ų264.8 Ų64.81%0.00935%0.352CS..Hα-helixtrans-66.2-45.4172.4179.8-90.9000111.7F105 G107 E108 M109 V115 E116 V125 W172 I178 L193F105-F111 HydrophobicContact CD1-CB 4.28Å; F105-F111 HydrophobicContact CD1-CD2 4.34Å; F105-F111 HydrophobicContact CD2-CD2 4.2Å; F105-F111 HydrophobicContact CE1-CD2 4.32Å; F105-F111 HydrophobicContact CE2-CD2 4.17Å; F105-F111 HydrophobicContact CG-CD2 4.29Å; F105-F111 HydrophobicContact CZ-CD2 4.24Å; G107-F111 PolarHBondContact O-N 3.39Å; E108-F111 PolarHBondContact O-N 2.88Å; M109-F111 VanDerWaalsContact C-N 3.35Å; F111-V115 HydrophobicContact CD2-CB 4.24Å; F111-V115 HydrophobicContact CD2-CG2 3.89Å; F111-V115 HydrophobicContact CE1-CB 4.29Å; F111-V115 HydrophobicContact CE1-CG1 4.37Å; F111-V115 HydrophobicContact CE2-CB 3.98Å; F111-V115 HydrophobicContact CE2-CG1 3.97Å; F111-V115 HydrophobicContact CE2-CG2 3.85Å; F111-V115 HydrophobicContact CG-CG2 4.47Å; F111-V115 HydrophobicContact CZ-CB 4Å; F111-V115 HydrophobicContact CZ-CG1 3.77Å; F111-V115 HydrophobicContact CZ-CG2 4.38Å; F111-V115 WeakPolarHBondContact O-CA 3.35Å; F111-V115 VanDerWaalsContact O-CB 3.25Å; F111-V115 WeakPolarHBondContact O-CB 3.42Å; F111-V115 PolarHBondContact O-N 3.25Å; F111-E116 HydrophobicContact CD1-CG 4.32Å; F111-E116 HydrophobicContact CE1-CG 3.87Å; F111-V125 HydrophobicContact CE2-CB 4.46Å; F111-V125 HydrophobicContact CE2-CG1 4.22Å; F111-V125 HydrophobicContact CE2-CG2 4.14Å; F111-W172 HydrophobicContact CD1-CH2 4.47Å; F111-W172 AromaticContact CE1-CH2 3.81Å; F111-W172 HydrophobicContact CE1-CH2 3.81Å; F111-W172 HydrophobicContact CE2-CH2 4.38Å; F111-W172 AromaticContact CZ-CH2 3.75Å; F111-W172 HydrophobicContact CZ-CH2 3.75Å; F111-I178 HydrophobicContact CE2-CD1 4.07Å; F111-I178 HydrophobicContact CZ-CD1 3.86Å; F111-L193 HydrophobicContact CZ-CD2 4.4Å
112Y89.1Confident84Confident123 Ų12358.6 Ų58.648%0.48231%0.314SS..Iπ-helixtrans-58.6-51.6178.4179-88.7000111E108 M109 L114 E116 D117E108-Y112 WeakPolarHBondContact O-CB 3.5Å; E108-Y112 PolarHBondContact O-N 2.88Å; M109-Y112 PolarHBondContact O-N 2.79Å; Y112-L114 PolarHBondContact O-N 3.05Å; Y112-E116 HydrophobicContact CD2-CB 4.01Å; Y112-E116 WeakPolarHBondContact CD2-OE2 3.12Å; Y112-E116 HydrophobicContact CE2-CB 4.3Å; Y112-E116 CarbonylContact O-C 3.19Å; Y112-E116 WeakPolarHBondContact O-CA 3.41Å; Y112-E116 PolarHBondContact O-N 2.99Å; Y112-D117 HydrophobicContact CD1-CB 4.37Å; Y112-D117 HydrophobicContact CE1-CB 4.04Å; Y112-D117 PolarHBondContact O-N 3.47Å
113E89.2Confident84.6Confident119 Ų11956.9 Ų56.956%0.55630%0.303SS*.Iπ-helixtrans-58.1-50.7-179.2-175.8-178.8-179.800111.6M109 T118M109-E113 WeakPolarHBondContact O-CB 3.21Å; M109-E113 PolarHBondContact O-N 2.74Å; E113-T118 VanDerWaalsContact O-CG2 3.25Å; E113-T118 WeakPolarHBondContact O-CG2 3.44Å; E113-T118 PolarHBondContact O-N 3.47Å
114L87.8Confident85Confident42 Ų4254.6 Ų54.622%0.2229%0.289CS..Iπ-helixtrans-80-32.7-173.6-70.4-177.1000114.3F105 H110 Y112 T118 W123F105-L114 HydrophobicContact CE1-CB 4.22Å; F105-L114 HydrophobicContact CE1-CD1 4.1Å; H110-L114 WeakPolarHBondContact NE2-CD1 2.94Å; H110-L114 WeakPolarHBondContact O-CB 3.31Å; H110-L114 PolarHBondContact O-N 2.93Å; Y112-L114 PolarHBondContact O-N 3.05Å; L114-T118 PolarHBondContact O-OG1 3.19Å; L114-W123 HydrophobicContact CB-CH2 4.32Å; L114-W123 HydrophobicContact CB-CZ2 3.92Å; L114-W123 HydrophobicContact CD1-CH2 4.33Å; L114-W123 PolarHBondContact O-NE1 3.26Å
115V87.6Confident85.3Confident0 Ų051.1 Ų51.10%026%0.26CS..Iπ-helixtrans-111.2-35.5-167.7-175.20000113F105 F111 W123 V125 S180 L193F105-V115 HydrophobicContact CE1-CG2 3.77Å; F105-V115 HydrophobicContact CE2-CG2 4.5Å; F105-V115 HydrophobicContact CZ-CG2 3.53Å; F111-V115 HydrophobicContact CD2-CB 4.24Å; F111-V115 HydrophobicContact CD2-CG2 3.89Å; F111-V115 HydrophobicContact CE1-CB 4.29Å; F111-V115 HydrophobicContact CE1-CG1 4.37Å; F111-V115 HydrophobicContact CE2-CB 3.98Å; F111-V115 HydrophobicContact CE2-CG1 3.97Å; F111-V115 HydrophobicContact CE2-CG2 3.85Å; F111-V115 HydrophobicContact CG-CG2 4.47Å; F111-V115 HydrophobicContact CZ-CB 4Å; F111-V115 HydrophobicContact CZ-CG1 3.77Å; F111-V115 HydrophobicContact CZ-CG2 4.38Å; F111-V115 WeakPolarHBondContact O-CA 3.35Å; F111-V115 VanDerWaalsContact O-CB 3.25Å; F111-V115 WeakPolarHBondContact O-CB 3.42Å; F111-V115 PolarHBondContact O-N 3.25Å; V115-W123 HydrophobicContact CG1-CB 4.13Å; V115-W123 HydrophobicContact CG1-CG 4.15Å; V115-W123 HydrophobicContact CG2-CD2 3.93Å; V115-W123 HydrophobicContact CG2-CE3 4.34Å; V115-W123 HydrophobicContact CG2-CG 4.03Å; V115-V125 HydrophobicContact CG2-CG2 4.47Å; V115-S180 WeakPolarHBondContact CG1-OG 3.22Å; V115-S180 PolarHBondContact O-OG 3.09Å; V115-L193 HydrophobicContact CG1-CD2 4.37Å
116E85.6Confident85.4Confident48 Ų4851 Ų5122%0.22426%0.26CS..Iπ-helixtrans-100.2-33.5-175.5-60.6-171.8140.300112.7F111 Y112 R170 V191 L193F111-E116 HydrophobicContact CD1-CG 4.32Å; F111-E116 HydrophobicContact CE1-CG 3.87Å; Y112-E116 HydrophobicContact CD2-CB 4.01Å; Y112-E116 WeakPolarHBondContact CD2-OE2 3.12Å; Y112-E116 HydrophobicContact CE2-CB 4.3Å; Y112-E116 CarbonylContact O-C 3.19Å; Y112-E116 WeakPolarHBondContact O-CA 3.41Å; Y112-E116 PolarHBondContact O-N 2.99Å; E116-R170 VanDerWaalsContact CD-NH1 3.3Å; E116-R170 IonicContact OE1-CZ 2.94Å; E116-R170 IonicContact OE1-NH1 2.74Å; E116-R170 PolarHBondContact OE1-NH1 3.31Å; E116-R170 IonicContact OE1-NH2 3.65Å; E116-R170 IonicContact OE2-CZ 2.59Å; E116-R170 IonicContact OE2-NH1 2.61Å; E116-R170 PolarHBondContact OE2-NH1 3.33Å; E116-R170 IonicContact OE2-NH2 3.19Å; E116-R170 PolarHBondContact OE2-NH2 2.9Å; E116-V191 VanDerWaalsContact O-CG2 3.31Å; E116-V191 WeakPolarHBondContact O-CG2 3.46Å; E116-L193 WeakPolarHBondContact OE1-CD1 3.4Å
117D83.8Confident85.8Confident93 Ų9346.5 Ų46.550%0.49723%0.228SC..Iπ-helixtrans-87-40.1178.9-162.255.7000111.9Y112 K119Y112-D117 HydrophobicContact CD1-CB 4.37Å; Y112-D117 HydrophobicContact CE1-CB 4.04Å; Y112-D117 PolarHBondContact O-N 3.47Å; D117-K119 PolarHBondContact O-N 3.47Å
118T72.8Confident86.2Confident41 Ų4147.1 Ų47.125%0.25223%0.23SC..  trans-72.7125.7173.882.30000112.1E113 L114E113-T118 VanDerWaalsContact O-CG2 3.25Å; E113-T118 WeakPolarHBondContact O-CG2 3.44Å; E113-T118 PolarHBondContact O-N 3.47Å; L114-T118 PolarHBondContact O-OG1 3.19Å
119K67.8Low86.4Confident73 Ų7344.6 Ų44.632%0.31722%0.219SC..  trans-96.9-13.1-177.1-64.1171.3-175.1153.40113.4D117 G121 S187D117-K119 PolarHBondContact O-N 3.47Å; K119-G121 PolarHBondContact O-N 2.68Å; K119-S187 WeakPolarHBondContact CD-O 3.19Å; K119-S187 PolarHBondContact NZ-O 3.48Å
120D65.8Low86.4Confident117 Ų11740.5 Ų40.563%0.62620%0.198SC*.SBendtrans-91.12.2-166.4-54.3-32.2000113.3
121G78.7Confident86.1Confident6 Ų644.9 Ų44.96%0.06222%0.224CC..  trans-133138.2-172.500000113.9K119K119-G121 PolarHBondContact O-N 2.68Å
122I90.6Very high85.9Confident4 Ų449.1 Ų49.12%0.02124%0.243CC..  trans-85.8129.6164-54.5162.9000106.9I153 R154 S180 L214 V259I122-I153 HydrophobicContact CB-CG1 4.23Å; I122-I153 HydrophobicContact CB-CG2 4.27Å; I122-I153 HydrophobicContact CD1-CG1 4.23Å; I122-I153 HydrophobicContact CG2-CG1 4.34Å; I122-I153 HydrophobicContact CG2-CG2 3.97Å; I122-R154 PolarHBondContact O-N 3.32Å; I122-S180 WeakPolarHBondContact CA-O 3.44Å; I122-L214 HydrophobicContact CD1-CD1 3.81Å; I122-L214 HydrophobicContact CD1-CD2 3.69Å; I122-L214 HydrophobicContact CD1-CG 4.41Å; I122-L214 HydrophobicContact CG1-CD2 4.05Å; I122-L214 HydrophobicContact CG2-CD1 4.44Å; I122-L214 HydrophobicContact CG2-CD2 4.16Å; I122-V259 HydrophobicContact CD1-CB 3.94Å; I122-V259 HydrophobicContact CD1-CG1 4.29Å; I122-V259 HydrophobicContact CD1-CG2 3.8Å; I122-V259 HydrophobicContact CG1-CB 3.9Å; I122-V259 HydrophobicContact CG1-CG1 3.67Å; I122-V259 HydrophobicContact CG1-CG2 3.87Å
123W92.4Very high85.8Confident6 Ų651.9 Ų51.92%0.02326%0.261CS..EExtended strand (participates in β ladder)trans-116.5138.1175-66.584.2000111.6T103 F105 L114 V115 V125 R154 M179 S180T103-W123 HydrophobicContact CG2-CH2 4.19Å; T103-W123 HydrophobicContact CG2-CZ3 4.21Å; T103-W123 VanDerWaalsContact OG1-CZ3 3.29Å; T103-W123 WeakPolarHBondContact OG1-CZ3 3.35Å; F105-W123 HydrophobicContact CZ-CE3 4.09Å; F105-W123 AromaticContact CZ-CZ3 3.94Å; F105-W123 HydrophobicContact CZ-CZ3 3.94Å; L114-W123 HydrophobicContact CB-CH2 4.32Å; L114-W123 HydrophobicContact CB-CZ2 3.92Å; L114-W123 HydrophobicContact CD1-CH2 4.33Å; L114-W123 PolarHBondContact O-NE1 3.26Å; V115-W123 HydrophobicContact CG1-CB 4.13Å; V115-W123 HydrophobicContact CG1-CG 4.15Å; V115-W123 HydrophobicContact CG2-CD2 3.93Å; V115-W123 HydrophobicContact CG2-CE3 4.34Å; V115-W123 HydrophobicContact CG2-CG 4.03Å; W123-V125 HydrophobicContact CB-CG2 4.17Å; W123-R154 CarbonylContact C-O 3.51Å; W123-R154 VanDerWaalsContact CA-O 3.31Å; W123-R154 WeakPolarHBondContact CA-O 3.42Å; W123-R154 HydrophobicContact CD2-CB 3.55Å; W123-R154 HydrophobicContact CD2-CG 4.49Å; W123-R154 HydrophobicContact CE3-CB 3.41Å; W123-R154 VanDerWaalsContact CE3-CB 3.41Å; W123-R154 HydrophobicContact CG-CB 4.22Å; W123-R154 HydrophobicContact CH2-CB 3.97Å; W123-R154 HydrophobicContact CH2-CG 4.48Å; W123-R154 HydrophobicContact CZ2-CB 4.11Å; W123-R154 HydrophobicContact CZ2-CG 4.38Å; W123-R154 HydrophobicContact CZ3-CB 3.61Å; W123-M179 CarbonylContact O-C 3.56Å; W123-M179 WeakPolarHBondContact O-CA 3.19Å; W123-S180 PolarHBondContact N-O 3.34Å; W123-S180 PolarHBondContact O-N 3.01Å
124L93.5Very high85.7Confident0 Ų048.2 Ų48.20%025%0.251CS..EExtended strand (participates in β ladder)trans-110.5116.3160.9-167.974.7000108.3W141 M144 L148 R154 T155 G156 V177 M179 I206 W209L124-W141 HydrophobicContact CD2-CH2 4.2Å; L124-W141 HydrophobicContact CD2-CZ3 4Å; L124-W141 HydrophobicContact CG-CH2 4.29Å; L124-W141 HydrophobicContact CG-CZ3 4.46Å; L124-M144 HydrophobicContact CD2-CG 3.99Å; L124-M144 HydrophobicContact CD2-SD 4.37Å; L124-L148 HydrophobicContact CB-CD1 3.9Å; L124-L148 HydrophobicContact CD2-CD1 3.4Å; L124-L148 HydrophobicContact CG-CD1 4.27Å; L124-R154 PolarHBondContact N-O 2.83Å; L124-T155 VanDerWaalsContact O-CA 3.27Å; L124-T155 WeakPolarHBondContact O-CA 3.39Å; L124-G156 PolarHBondContact O-N 3.34Å; L124-V177 HydrophobicContact CD1-CG1 3.51Å; L124-V177 HydrophobicContact CD2-CG1 4.17Å; L124-V177 HydrophobicContact CG-CG1 3.82Å; L124-M179 HydrophobicContact CD1-CB 4.33Å; L124-I206 HydrophobicContact CD2-CG2 4.23Å; L124-W209 HydrophobicContact CD1-CZ3 4.21Å
125V93.3Very high85.6Confident1 Ų148 Ų481%0.00625%0.251CS..EExtended strand (participates in β ladder)trans-115.7128.2-177.5-179.40000109.8F105 F111 V115 W123 V127 G156 L158 I178F105-V125 HydrophobicContact CD2-CG1 4.05Å; F105-V125 HydrophobicContact CE2-CB 4.29Å; F105-V125 HydrophobicContact CE2-CG1 3.66Å; F105-V125 HydrophobicContact CE2-CG2 3.66Å; F105-V125 HydrophobicContact CZ-CG2 4.05Å; F111-V125 HydrophobicContact CE2-CB 4.46Å; F111-V125 HydrophobicContact CE2-CG1 4.22Å; F111-V125 HydrophobicContact CE2-CG2 4.14Å; V115-V125 HydrophobicContact CG2-CG2 4.47Å; W123-V125 HydrophobicContact CB-CG2 4.17Å; V125-V127 HydrophobicContact CG1-CG2 4.37Å; V125-G156 CarbonylContact C-O 3.49Å; V125-G156 VanDerWaalsContact CA-O 3.29Å; V125-G156 WeakPolarHBondContact CA-O 3.48Å; V125-L158 HydrophobicContact CG1-CB 3.97Å; V125-I178 HydrophobicContact CB-CD1 4.03Å; V125-I178 HydrophobicContact CB-CG1 3.64Å; V125-I178 HydrophobicContact CG1-CD1 4.33Å; V125-I178 HydrophobicContact CG1-CG1 4.31Å; V125-I178 PolarHBondContact N-O 2.85Å; V125-I178 WeakPolarHBondContact O-CG1 3.48Å; V125-I178 PolarHBondContact O-N 3.41Å
126Q92.9Very high85.7Confident4 Ų448.2 Ų48.22%0.01925%0.252CS..EExtended strand (participates in β ladder)trans-91.3112.6170.3-176.9167.62.400108.6V128 L136 W141 G156 I157 L158Q126-V128 HydrophobicContact CG-CG2 4.45Å; Q126-L136 PolarHBondContact NE2-O 3.3Å; Q126-W141 HydrophobicContact CB-CE3 4.24Å; Q126-W141 HydrophobicContact CB-CH2 3.78Å; Q126-W141 HydrophobicContact CB-CZ2 4.08Å; Q126-W141 HydrophobicContact CB-CZ3 3.88Å; Q126-G156 PolarHBondContact N-O 3.38Å; Q126-I157 HydrophobicContact CB-CG1 4.47Å; Q126-I157 WeakPolarHBondContact O-CA 3.47Å; Q126-L158 PolarHBondContact O-N 3.48Å
127V92.6Very high85.8Confident0 Ų048.6 Ų48.60%026%0.26CS..EExtended strand (participates in β ladder)trans-91.7121.5175.2-174.20000108V125 L158 C160 W172 S175 M176 I178V125-V127 HydrophobicContact CG1-CG2 4.37Å; V127-L158 WeakPolarHBondContact CA-O 3.35Å; V127-L158 HydrophobicContact CG1-CD2 4.31Å; V127-L158 HydrophobicContact CG2-CB 4.41Å; V127-L158 HydrophobicContact CG2-CD2 4.26Å; V127-C160 WeakPolarHBondContact CG1-SG 2.78Å; V127-W172 HydrophobicContact CG1-CB 4.04Å; V127-W172 HydrophobicContact CG1-CD2 4.35Å; V127-W172 HydrophobicContact CG1-CE3 4.18Å; V127-W172 HydrophobicContact CG1-CG 4.34Å; V127-W172 HydrophobicContact CG2-CD2 4.34Å; V127-W172 HydrophobicContact CG2-CE3 4.3Å; V127-S175 CarbonylContact O-C 3.6Å; V127-S175 VanDerWaalsContact O-CA 3.25Å; V127-S175 WeakPolarHBondContact O-CA 3.48Å; V127-M176 HydrophobicContact CB-CG 4.15Å; V127-M176 PolarHBondContact N-O 3.31Å; V127-M176 PolarHBondContact O-N 3.34Å; V127-I178 HydrophobicContact CG2-CD1 3.84Å; V127-I178 HydrophobicContact CG2-CG1 4.12Å; V127-I178 HydrophobicContact CG2-CG2 4.27Å
128V92.7Very high85.9Confident22 Ų2251.1 Ų51.113%0.13327%0.269CS..EExtended strand (participates in β ladder)trans-102.9113.6176.4-173.80000107.5Q126 Q132 A134 I157 L158 C160Q126-V128 HydrophobicContact CG-CG2 4.45Å; V128-Q132 WeakPolarHBondContact CG1-O 3.22Å; V128-A134 HydrophobicContact CG1-CB 4.44Å; V128-A134 HydrophobicContact CG2-CB 3.73Å; V128-I157 HydrophobicContact CG2-CG2 4.28Å; V128-L158 PolarHBondContact N-O 2.87Å; V128-C160 VanDerWaalsContact O-CB 3.28Å; V128-C160 WeakPolarHBondContact O-CB 3.23Å; V128-C160 PolarHBondContact O-N 3.46Å
129A90.9Very high86.5Confident4 Ų453.8 Ų53.83%0.03329%0.286CS..  trans-73.1160.4178.400000111.3D131 Q132 R174 S175A129-D131 PolarHBondContact O-N 3.08Å; A129-Q132 HydrophobicContact CB-CB 4.19Å; A129-Q132 HydrophobicContact CB-CG 4.36Å; A129-Q132 PolarHBondContact O-N 2.96Å; A129-R174 VanDerWaalsContact CB-C 3.47Å; A129-S175 PolarHBondContact N-OG 3.28Å
130Q86.8Confident87.5Confident83 Ų8353 Ų5339%0.38829%0.285SS..THydrogen-bonded Turntrans-60.5133.6176.1-173.2177.4-3.800110.1Q132 F164Q130-Q132 PolarHBondContact O-N 2.86Å; Q130-F164 HydrophobicContact CB-CD2 4.04Å; Q130-F164 HydrophobicContact CB-CE2 4.12Å; Q130-F164 VanDerWaalsContact OE1-CE2 3.27Å
131D84.3Confident88.7Confident155 Ų15547.5 Ų47.583%0.82926%0.255SS*.THydrogen-bonded Turntrans58.416.7179-50.3-38.7000115.1A129A129-D131 PolarHBondContact O-N 3.08Å
132Q86.3Confident89.1Confident91 Ų9148.1 Ų48.143%0.42526%0.262SS..  trans-116.5146.9174.3-68.1-174.77.800111.2V128 A129 Q130 R174 S175V128-Q132 WeakPolarHBondContact CG1-O 3.22Å; A129-Q132 HydrophobicContact CB-CB 4.19Å; A129-Q132 HydrophobicContact CB-CG 4.36Å; A129-Q132 PolarHBondContact O-N 2.96Å; Q130-Q132 PolarHBondContact O-N 2.86Å; Q132-R174 VanDerWaalsContact OE1-CA 3.28Å; Q132-S175 WeakPolarHBondContact CB-OG 3.48Å
133E86.3Confident88.8Confident180 Ų18054.1 Ų54.184%0.84129%0.288SS*.  trans-70.5157170.4-66.9-171.9178.800111.2S175E133-S175 WeakPolarHBondContact O-CB 3.48Å; E133-S175 PolarHBondContact O-OG 3.35Å
134A86.5Confident88.6Confident42 Ų4253.9 Ų53.935%0.34729%0.287SS..  trans-70.2140.317800000109.8V128 L136V128-A134 HydrophobicContact CG1-CB 4.44Å; V128-A134 HydrophobicContact CG2-CB 3.73Å; A134-L136 VanDerWaalsContact C-N 3.32Å; A134-L136 PolarHBondContact O-N 2.64Å
135V87.1Confident88.4Confident39 Ų3954 Ų5424%0.23629%0.288CS..SBendtrans-55.3-45.5-177.6175.50000112.7S175 V177 I201V135-S175 WeakPolarHBondContact CG2-O 3.45Å; V135-V177 HydrophobicContact CB-CG2 4.22Å; V135-V177 HydrophobicContact CG1-CG2 4.17Å; V135-I201 HydrophobicContact CG1-CD1 4.34Å; V135-I201 HydrophobicContact CG1-CG1 4.44Å; V135-I201 HydrophobicContact CG1-CG2 3.38Å; V135-I201 VanDerWaalsContact O-CG2 3.23Å; V135-I201 WeakPolarHBondContact O-CG2 3.49Å
136L88.8Confident88Confident3 Ų355.8 Ų55.82%0.01630%0.297CS..SBendtrans-100.4133.1172.1-70.7167.9000109.2Q126 A134 N140 W141 I201 I206Q126-L136 PolarHBondContact NE2-O 3.3Å; A134-L136 VanDerWaalsContact C-N 3.32Å; A134-L136 PolarHBondContact O-N 2.64Å; L136-N140 HydrophobicContact CD2-CB 4.18Å; L136-W141 HydrophobicContact CB-CB 4.3Å; L136-W141 HydrophobicContact CB-CE3 4.43Å; L136-W141 HydrophobicContact CD1-CE3 3.67Å; L136-W141 HydrophobicContact CD1-CZ3 4.12Å; L136-I201 HydrophobicContact CD2-CG2 3.94Å; L136-I201 WeakPolarHBondContact CD2-O 3.42Å; L136-I201 HydrophobicContact CG-CG2 4.43Å; L136-I206 HydrophobicContact CD1-CD1 3.72Å; L136-I206 HydrophobicContact CD2-CD1 3.96Å; L136-I206 HydrophobicContact CG-CD1 4.04Å
137S88.4Confident87.7Confident57 Ų5756.7 Ų56.740%0.39930%0.301SS..  trans-59.3155.6169.467.50000110.6T139 N140 W141S137-T139 PolarHBondContact O-N 3.35Å; S137-T139 VanDerWaalsContact O-N 3.1Å; S137-T139 PolarHBondContact OG-OG1 3.05Å; S137-N140 PolarHBondContact O-N 2.86Å; S137-N140 WeakPolarHBondContact OG-CB 3.4Å; S137-N140 PolarHBondContact OG-N 3.09Å; S137-N140 PolarHBondContact OG-ND2 3.45Å; S137-W141 WeakPolarHBondContact O-CB 3.23Å; S137-W141 PolarHBondContact O-N 3.06Å
138Q85.8Confident87.5Confident146 Ų14656.7 Ų56.768%0.68230%0.301SS*.Hα-helixtrans-54.5-35.3-179.2-170.365.56.700113.1G142Q138-G142 PolarHBondContact O-N 2.69Å
139T85.6Confident87.1Confident97 Ų9758.8 Ų58.860%0.59532%0.316SS*.Hα-helixtrans-71.9-42.2178.5540000112.3S137 G142 K143S137-T139 PolarHBondContact O-N 3.35Å; S137-T139 VanDerWaalsContact O-N 3.1Å; S137-T139 PolarHBondContact OG-OG1 3.05Å; T139-G142 PolarHBondContact O-N 3.26Å; T139-K143 WeakPolarHBondContact O-CG 3.43Å; T139-K143 PolarHBondContact O-N 3.18Å; T139-K143 VanDerWaalsContact O-N 3.1Å
140N88.4Confident86.8Confident56 Ų5660.2 Ų60.230%0.29932%0.322SS..Hα-helixtrans-73-34.4177.8-71-16.4000111.5L136 S137 K143 M144 T203L136-N140 HydrophobicContact CD2-CB 4.18Å; S137-N140 PolarHBondContact O-N 2.86Å; S137-N140 WeakPolarHBondContact OG-CB 3.4Å; S137-N140 PolarHBondContact OG-N 3.09Å; S137-N140 PolarHBondContact OG-ND2 3.45Å; N140-K143 PolarHBondContact O-N 3.14Å; N140-M144 WeakPolarHBondContact O-CB 3.27Å; N140-M144 PolarHBondContact O-N 3.02Å; N140-T203 HydrophobicContact CB-CG2 4.15Å; N140-T203 WeakPolarHBondContact O-CG2 3.49Å
141W89.8Confident86.7Confident2 Ų256.3 Ų56.31%0.00830%0.304CS..Hα-helixtrans-64.3-45.3171.1-175.5-109.3000111.4T102 L124 Q126 L136 S137 K143 M144 V145 G156 I157T102-W141 HydrophobicContact CG2-CZ2 4.34Å; L124-W141 HydrophobicContact CD2-CH2 4.2Å; L124-W141 HydrophobicContact CD2-CZ3 4Å; L124-W141 HydrophobicContact CG-CH2 4.29Å; L124-W141 HydrophobicContact CG-CZ3 4.46Å; Q126-W141 HydrophobicContact CB-CE3 4.24Å; Q126-W141 HydrophobicContact CB-CH2 3.78Å; Q126-W141 HydrophobicContact CB-CZ2 4.08Å; Q126-W141 HydrophobicContact CB-CZ3 3.88Å; L136-W141 HydrophobicContact CB-CB 4.3Å; L136-W141 HydrophobicContact CB-CE3 4.43Å; L136-W141 HydrophobicContact CD1-CE3 3.67Å; L136-W141 HydrophobicContact CD1-CZ3 4.12Å; S137-W141 WeakPolarHBondContact O-CB 3.23Å; S137-W141 PolarHBondContact O-N 3.06Å; W141-K143 VanDerWaalsContact C-N 3.33Å; W141-K143 PolarHBondContact O-N 2.69Å; W141-M144 HydrophobicContact CE3-CB 4.45Å; W141-M144 HydrophobicContact CZ3-CG 4.49Å; W141-M144 CarbonylContact O-C 3.49Å; W141-M144 WeakPolarHBondContact O-CA 3.37Å; W141-M144 WeakPolarHBondContact O-CB 3.42Å; W141-M144 PolarHBondContact O-N 3.44Å; W141-V145 HydrophobicContact CD2-CG2 4.2Å; W141-V145 HydrophobicContact CG-CG2 4.28Å; W141-V145 HydrophobicContact CZ2-CG2 4.28Å; W141-V145 VanDerWaalsContact O-CG2 3.25Å; W141-V145 WeakPolarHBondContact O-CG2 3.25Å; W141-V145 PolarHBondContact O-N 3.3Å; W141-G156 WeakPolarHBondContact CZ2-O 3.31Å; W141-I157 HydrophobicContact CZ2-CG1 4.36Å
142G87.1Confident86.7Confident19 Ų1951.2 Ų51.220%0.19629%0.288CS..Hα-helixtrans-56.2-45174.200000112.7Q138 T139 M144 V145 L146Q138-G142 PolarHBondContact O-N 2.69Å; T139-G142 PolarHBondContact O-N 3.26Å; G142-M144 VanDerWaalsContact C-N 3.32Å; G142-M144 PolarHBondContact O-N 3.49Å; G142-V145 PolarHBondContact O-N 3.41Å; G142-L146 WeakPolarHBondContact O-CG 3.27Å; G142-L146 PolarHBondContact O-N 2.95Å
143K85.6Confident86.9Confident130 Ų13047.2 Ų47.257%0.56527%0.269SS*.Hα-helixtrans-60.3-41173.1-70.2173.1-175.31730112.3T139 N140 W141 K147T139-K143 WeakPolarHBondContact O-CG 3.43Å; T139-K143 PolarHBondContact O-N 3.18Å; T139-K143 VanDerWaalsContact O-N 3.1Å; N140-K143 PolarHBondContact O-N 3.14Å; W141-K143 VanDerWaalsContact C-N 3.33Å; W141-K143 PolarHBondContact O-N 2.69Å; K143-K147 WeakPolarHBondContact O-CB 3.46Å; K143-K147 PolarHBondContact O-N 3.36Å
144M88.6Confident87.1Confident0 Ų044.1 Ų44.10%025%0.25CS..Hα-helixtrans-63.5-47.3176.4-177.764.88100111.5L124 N140 W141 G142 L146 K147 L148 T203 I206L124-M144 HydrophobicContact CD2-CG 3.99Å; L124-M144 HydrophobicContact CD2-SD 4.37Å; N140-M144 WeakPolarHBondContact O-CB 3.27Å; N140-M144 PolarHBondContact O-N 3.02Å; W141-M144 HydrophobicContact CE3-CB 4.45Å; W141-M144 HydrophobicContact CZ3-CG 4.49Å; W141-M144 CarbonylContact O-C 3.49Å; W141-M144 WeakPolarHBondContact O-CA 3.37Å; W141-M144 WeakPolarHBondContact O-CB 3.42Å; W141-M144 PolarHBondContact O-N 3.44Å; G142-M144 VanDerWaalsContact C-N 3.32Å; G142-M144 PolarHBondContact O-N 3.49Å; M144-L146 VanDerWaalsContact C-N 3.33Å; M144-L146 PolarHBondContact O-N 2.94Å; M144-K147 PolarHBondContact O-N 3.36Å; M144-K147 VanDerWaalsContact O-N 3.13Å; M144-L148 HydrophobicContact CG-CD1 3.59Å; M144-L148 HydrophobicContact CG-CG 4.09Å; M144-L148 WeakPolarHBondContact O-CB 3.42Å; M144-L148 VanDerWaalsContact O-CG 3.28Å; M144-L148 WeakPolarHBondContact O-CG 3.27Å; M144-L148 PolarHBondContact O-N 3.49Å; M144-L148 HydrophobicContact SD-CD1 3.75Å; M144-L148 HydrophobicContact SD-CD2 4.29Å; M144-L148 HydrophobicContact SD-CG 3.83Å; M144-T203 HydrophobicContact CB-CG2 4.39Å; M144-T203 HydrophobicContact CE-CG2 4.22Å; M144-T203 WeakPolarHBondContact CE-O 3.42Å; M144-I206 HydrophobicContact CE-CB 3.7Å; M144-I206 HydrophobicContact CE-CG2 3.71Å
145V88.7Confident87.4Confident4 Ų442.6 Ų42.62%0.02424%0.236CC..Hα-helixtrans-60-45179176.40000111.1S100 W141 G142 K147 L148 S149 T155S100-V145 VanDerWaalsContact OG-CG1 3.29Å; S100-V145 WeakPolarHBondContact OG-CG1 3.46Å; W141-V145 HydrophobicContact CD2-CG2 4.2Å; W141-V145 HydrophobicContact CG-CG2 4.28Å; W141-V145 HydrophobicContact CZ2-CG2 4.28Å; W141-V145 VanDerWaalsContact O-CG2 3.25Å; W141-V145 WeakPolarHBondContact O-CG2 3.25Å; W141-V145 PolarHBondContact O-N 3.3Å; G142-V145 PolarHBondContact O-N 3.41Å; V145-K147 VanDerWaalsContact C-N 3.31Å; V145-K147 PolarHBondContact O-N 2.97Å; V145-L148 PolarHBondContact O-N 2.94Å; V145-S149 VanDerWaalsContact O-CB 3.29Å; V145-S149 WeakPolarHBondContact O-CB 3.5Å; V145-S149 PolarHBondContact O-N 3.47Å; V145-S149 PolarHBondContact O-OG 3.01Å; V145-T155 HydrophobicContact CB-CG2 4.47Å; V145-T155 WeakPolarHBondContact CG1-OG1 3.08Å; V145-T155 HydrophobicContact CG2-CG2 4.04Å; V145-T155 WeakPolarHBondContact CG2-OG1 3.25Å
146L84.9Confident87.6Confident38 Ų3840.7 Ų40.720%0.19923%0.225CC..Hα-helixtrans-60.3-41.2175.4-70.6172.7000111.9Q93 G142 M144 S149 Q150Q93-L146 HydrophobicContact CG-CD2 4.5Å; G142-L146 WeakPolarHBondContact O-CG 3.27Å; G142-L146 PolarHBondContact O-N 2.95Å; M144-L146 VanDerWaalsContact C-N 3.33Å; M144-L146 PolarHBondContact O-N 2.94Å; L146-S149 PolarHBondContact O-OG 2.64Å; L146-Q150 WeakPolarHBondContact O-CG 3.28Å; L146-Q150 PolarHBondContact O-NE2 2.64Å
147K85.8Confident87.7Confident23 Ų2342.6 Ų42.610%0.124%0.235CC..Hα-helixtrans-67.3-44177.2-168.7175.2-173.1178.60112.4K143 M144 V145 F151 E204 F207K143-K147 WeakPolarHBondContact O-CB 3.46Å; K143-K147 PolarHBondContact O-N 3.36Å; M144-K147 PolarHBondContact O-N 3.36Å; M144-K147 VanDerWaalsContact O-N 3.13Å; V145-K147 VanDerWaalsContact C-N 3.31Å; V145-K147 PolarHBondContact O-N 2.97Å; K147-F151 VanDerWaalsContact O-CD2 3.27Å; K147-F151 WeakPolarHBondContact O-CD2 3.27Å; K147-F151 WeakPolarHBondContact O-CE2 3.21Å; K147-E204 IonicContact NZ-OE1 3.27Å; K147-E204 PolarHBondContact NZ-OE1 2.71Å; K147-E204 IonicContact NZ-OE2 3.65Å; K147-E204 PolarHBondContact NZ-OE2 3.17Å; K147-F207 HydrophobicContact CD-CD2 4.13Å; K147-F207 HydrophobicContact CD-CE2 4.44Å; K147-F207 HydrophobicContact CD-CG 4.27Å; K147-F207 HydrophobicContact CG-CD2 4.44Å; K147-F207 HydrophobicContact CG-CE2 4.4Å
148L88.5Confident87.9Confident0 Ų040.3 Ų40.30%022%0.218CC..Hα-helixtrans-74.1-35.3-175.5-70.1179.7000113.5L124 M144 V145 Q150 F151 G152 I153 T155 F207 M210L124-L148 HydrophobicContact CB-CD1 3.9Å; L124-L148 HydrophobicContact CD2-CD1 3.4Å; L124-L148 HydrophobicContact CG-CD1 4.27Å; M144-L148 HydrophobicContact CG-CD1 3.59Å; M144-L148 HydrophobicContact CG-CG 4.09Å; M144-L148 WeakPolarHBondContact O-CB 3.42Å; M144-L148 VanDerWaalsContact O-CG 3.28Å; M144-L148 WeakPolarHBondContact O-CG 3.27Å; M144-L148 PolarHBondContact O-N 3.49Å; M144-L148 HydrophobicContact SD-CD1 3.75Å; M144-L148 HydrophobicContact SD-CD2 4.29Å; M144-L148 HydrophobicContact SD-CG 3.83Å; V145-L148 PolarHBondContact O-N 2.94Å; L148-Q150 PolarHBondContact O-N 3.01Å; L148-F151 PolarHBondContact O-N 3.06Å; L148-G152 PolarHBondContact O-N 3.03Å; L148-I153 HydrophobicContact CB-CB 4.07Å; L148-I153 HydrophobicContact CB-CG2 4.27Å; L148-I153 HydrophobicContact CD1-CG2 4.35Å; L148-I153 HydrophobicContact CD2-CB 4.37Å; L148-I153 HydrophobicContact CD2-CD1 3.94Å; L148-I153 HydrophobicContact CD2-CG2 4.27Å; L148-I153 PolarHBondContact O-N 3.35Å; L148-I153 VanDerWaalsContact O-N 3.17Å; L148-T155 HydrophobicContact CB-CG2 4.08Å; L148-T155 HydrophobicContact CD1-CG2 3.69Å; L148-F207 HydrophobicContact CD2-CD2 3.84Å; L148-F207 HydrophobicContact CD2-CE2 4.07Å; L148-M210 HydrophobicContact CD2-CE 3.28Å; L148-M210 HydrophobicContact CD2-SD 3.67Å
149S85.6Confident88.1Confident66 Ų6636.5 Ų36.546%0.46220%0.202SC..Hα-helixtrans-58.7-31.8177.463.80000112.6V145 L146 F151 G152V145-S149 VanDerWaalsContact O-CB 3.29Å; V145-S149 WeakPolarHBondContact O-CB 3.5Å; V145-S149 PolarHBondContact O-N 3.47Å; V145-S149 PolarHBondContact O-OG 3.01Å; L146-S149 PolarHBondContact O-OG 2.64Å; S149-F151 PolarHBondContact O-N 3.26Å; S149-G152 PolarHBondContact O-N 3.06Å
150Q83.1Confident88.4Confident34 Ų3431.9 Ų31.916%0.15917%0.174CC..THydrogen-bonded Turntrans-61.6-26.4175.5-62.6174.535.600113.1Q93 L146 L148Q93-Q150 VanDerWaalsContact CD-NE2 3.34Å; L146-Q150 WeakPolarHBondContact O-CG 3.28Å; L146-Q150 PolarHBondContact O-NE2 2.64Å; L148-Q150 PolarHBondContact O-N 3.01Å
151F86.1Confident88.4Confident1 Ų132.7 Ų32.70%0.00418%0.184CC..THydrogen-bonded Turntrans-98.15.8178.7-58.2-69.7000113.1E53 K147 L148 S149 I153 F207 A252 F253 S256 L313E53-F151 VanDerWaalsContact O-CZ 3.25Å; E53-F151 WeakPolarHBondContact O-CZ 3.36Å; K147-F151 VanDerWaalsContact O-CD2 3.27Å; K147-F151 WeakPolarHBondContact O-CD2 3.27Å; K147-F151 WeakPolarHBondContact O-CE2 3.21Å; L148-F151 PolarHBondContact O-N 3.06Å; S149-F151 PolarHBondContact O-N 3.26Å; F151-I153 HydrophobicContact CB-CD1 3.94Å; F151-I153 HydrophobicContact CB-CG1 4.04Å; F151-I153 PolarHBondContact O-N 3.31Å; F151-F207 AromaticContact CD2-CE2 3.92Å; F151-F207 HydrophobicContact CD2-CE2 3.92Å; F151-F207 HydrophobicContact CD2-CZ 4.2Å; F151-F207 AromaticContact CE2-CE2 3.67Å; F151-F207 HydrophobicContact CE2-CE2 3.67Å; F151-F207 AromaticContact CE2-CZ 3.6Å; F151-F207 HydrophobicContact CE2-CZ 3.6Å; F151-F207 HydrophobicContact CZ-CZ 4.06Å; F151-A252 HydrophobicContact CD1-CB 4.21Å; F151-A252 HydrophobicContact CE1-CB 4.09Å; F151-A252 HydrophobicContact CZ-CB 4.35Å; F151-F253 HydrophobicContact CD1-CB 3.95Å; F151-F253 HydrophobicContact CE1-CB 4.18Å; F151-S256 WeakPolarHBondContact O-CB 3.27Å; F151-S256 PolarHBondContact O-OG 2.92Å; F151-L313 HydrophobicContact CB-CD1 4.49Å; F151-L313 WeakPolarHBondContact O-CD1 3.43Å
152G84.3Confident88.2Confident48 Ų4836.4 Ų36.450%0.49521%0.207SC..THydrogen-bonded Turntrans68.418.8-174.500000113.6L148 S149L148-G152 PolarHBondContact O-N 3.03Å; S149-G152 PolarHBondContact O-N 3.06Å
153I89.7Confident88Confident6 Ų638.4 Ų38.43%0.03121%0.213CC..  trans-85125.7176.8-61.5171000107.9I122 L148 F151 M210 L214I122-I153 HydrophobicContact CB-CG1 4.23Å; I122-I153 HydrophobicContact CB-CG2 4.27Å; I122-I153 HydrophobicContact CD1-CG1 4.23Å; I122-I153 HydrophobicContact CG2-CG1 4.34Å; I122-I153 HydrophobicContact CG2-CG2 3.97Å; L148-I153 HydrophobicContact CB-CB 4.07Å; L148-I153 HydrophobicContact CB-CG2 4.27Å; L148-I153 HydrophobicContact CD1-CG2 4.35Å; L148-I153 HydrophobicContact CD2-CB 4.37Å; L148-I153 HydrophobicContact CD2-CD1 3.94Å; L148-I153 HydrophobicContact CD2-CG2 4.27Å; L148-I153 PolarHBondContact O-N 3.35Å; L148-I153 VanDerWaalsContact O-N 3.17Å; F151-I153 HydrophobicContact CB-CD1 3.94Å; F151-I153 HydrophobicContact CB-CG1 4.04Å; F151-I153 PolarHBondContact O-N 3.31Å; I153-M210 HydrophobicContact CD1-CE 3.47Å; I153-M210 VanDerWaalsContact CD1-CE 3.47Å; I153-M210 HydrophobicContact CD1-SD 3.9Å; I153-M210 HydrophobicContact CG2-SD 4.22Å; I153-L214 HydrophobicContact CD1-CD1 4.4Å
154R90.6Very high88Confident115 Ų11536.7 Ų36.743%0.43421%0.206SC..EExtended strand (participates in β ladder)trans-82.7146.1-178.2-61.6179.7-177.2173.20.6109.8I122 W123 L124I122-R154 PolarHBondContact O-N 3.32Å; W123-R154 CarbonylContact C-O 3.51Å; W123-R154 VanDerWaalsContact CA-O 3.31Å; W123-R154 WeakPolarHBondContact CA-O 3.42Å; W123-R154 HydrophobicContact CD2-CB 3.55Å; W123-R154 HydrophobicContact CD2-CG 4.49Å; W123-R154 HydrophobicContact CE3-CB 3.41Å; W123-R154 VanDerWaalsContact CE3-CB 3.41Å; W123-R154 HydrophobicContact CG-CB 4.22Å; W123-R154 HydrophobicContact CH2-CB 3.97Å; W123-R154 HydrophobicContact CH2-CG 4.48Å; W123-R154 HydrophobicContact CZ2-CB 4.11Å; W123-R154 HydrophobicContact CZ2-CG 4.38Å; W123-R154 HydrophobicContact CZ3-CB 3.61Å; L124-R154 PolarHBondContact N-O 2.83Å
155T92.1Very high88Confident10 Ų1047.1 Ų47.16%0.06125%0.246CC..EExtended strand (participates in β ladder)trans-126.4138.9-178.957.30000110.6T103 L124 V145 L148T103-T155 PolarHBondContact N-O 3.31Å; T103-T155 VanDerWaalsContact N-O 3.15Å; T103-T155 PolarHBondContact OG1-O 3.03Å; L124-T155 VanDerWaalsContact O-CA 3.27Å; L124-T155 WeakPolarHBondContact O-CA 3.39Å; V145-T155 HydrophobicContact CB-CG2 4.47Å; V145-T155 WeakPolarHBondContact CG1-OG1 3.08Å; V145-T155 HydrophobicContact CG2-CG2 4.04Å; V145-T155 WeakPolarHBondContact CG2-OG1 3.25Å; L148-T155 HydrophobicContact CB-CG2 4.08Å; L148-T155 HydrophobicContact CD1-CG2 3.69Å
156G91.9Very high88Confident0 Ų048 Ų480%025%0.252CS..EExtended strand (participates in β ladder)trans-142.6160.6177.100000113.6T103 L124 V125 Q126 W141T103-G156 CarbonylContact O-C 3.56Å; T103-G156 WeakPolarHBondContact O-CA 3.43Å; T103-G156 WeakPolarHBondContact OG1-CA 3.23Å; L124-G156 PolarHBondContact O-N 3.34Å; V125-G156 CarbonylContact C-O 3.49Å; V125-G156 VanDerWaalsContact CA-O 3.29Å; V125-G156 WeakPolarHBondContact CA-O 3.48Å; Q126-G156 PolarHBondContact N-O 3.38Å; W141-G156 WeakPolarHBondContact CZ2-O 3.31Å
157I91.9Very high88.2Confident43 Ų4346.5 Ų46.522%0.22124%0.244CC..EExtended strand (participates in β ladder)trans-119124.8174.2-64.6159.8000107.5T102 T103 F105 Q126 V128 W141T102-I157 HydrophobicContact CG2-CD1 3.79Å; T102-I157 HydrophobicContact CG2-CG1 3.76Å; T103-I157 PolarHBondContact O-N 3.18Å; F105-I157 WeakPolarHBondContact CD2-O 3.29Å; F105-I157 PolarHBondContact N-O 2.86Å; Q126-I157 HydrophobicContact CB-CG1 4.47Å; Q126-I157 WeakPolarHBondContact O-CA 3.47Å; V128-I157 HydrophobicContact CG2-CG2 4.28Å; W141-I157 HydrophobicContact CZ2-CG1 4.36Å
158L91.5Very high88.4Confident9 Ų949 Ų495%0.04726%0.258CS..EExtended strand (participates in β ladder)trans-109115.6173.5-179.370.7000108.1F105 V125 Q126 V127 V128 W172F105-L158 HydrophobicContact CB-CB 4.45Å; F105-L158 HydrophobicContact CB-CD1 3.56Å; F105-L158 HydrophobicContact CD2-CB 4.06Å; F105-L158 HydrophobicContact CG-CD1 4.36Å; V125-L158 HydrophobicContact CG1-CB 3.97Å; Q126-L158 PolarHBondContact O-N 3.48Å; V127-L158 WeakPolarHBondContact CA-O 3.35Å; V127-L158 HydrophobicContact CG1-CD2 4.31Å; V127-L158 HydrophobicContact CG2-CB 4.41Å; V127-L158 HydrophobicContact CG2-CD2 4.26Å; V128-L158 PolarHBondContact N-O 2.87Å; L158-W172 HydrophobicContact CD2-CE3 3.74Å; L158-W172 HydrophobicContact CD2-CH2 4.33Å; L158-W172 HydrophobicContact CD2-CZ3 3.34Å
159N91.2Very high88.5Confident65 Ų6557 Ų5735%0.34829%0.293SS..EExtended strand (participates in β ladder)trans-95.2115.1175.5-166.6-13000109.7S161 T162N159-S161 PolarHBondContact ND2-OG 2.83Å; N159-S161 VanDerWaalsContact ND2-OG 3.15Å; N159-S161 PolarHBondContact O-N 2.93Å; N159-S161 WeakPolarHBondContact OD1-CB 3.5Å; N159-S161 PolarHBondContact OD1-N 2.98Å; N159-S161 PolarHBondContact OD1-OG 2.91Å; N159-T162 PolarHBondContact O-N 3.49Å; N159-T162 PolarHBondContact O-OG1 2.86Å
160C90.7Very high88.6Confident1 Ų156.7 Ų56.71%0.00728%0.281CS..THydrogen-bonded Turntrans-74-3178.4-67.20000113.3V127 V128 T162 F164 C167V127-C160 WeakPolarHBondContact CG1-SG 2.78Å; V128-C160 VanDerWaalsContact O-CB 3.28Å; V128-C160 WeakPolarHBondContact O-CB 3.23Å; V128-C160 PolarHBondContact O-N 3.46Å; C160-T162 VanDerWaalsContact C-N 3.29Å; C160-F164 WeakPolarHBondContact O-CA 3.17Å; C160-F164 WeakPolarHBondContact O-CB 3.46Å; C160-F164 PolarHBondContact O-N 2.83Å; C160-F164 VanDerWaalsContact O-N 3.14Å; C160-C167 VanDerWaalsContact CA-SG 3.57Å; C160-C167 HydrophobicContact CB-CB 3.74Å; C160-C167 WeakPolarHBondContact CB-SG 3.43Å; C160-C167 WeakPolarHBondContact SG-CB 3.25Å; C160-C167 CovalentContact SG-SG 2.04Å; C160-C167 PolarHBondContact SG-SG 3.06Å
161S87.8Confident88.8Confident73 Ų7357.2 Ų57.251%0.5130%0.296SS..THydrogen-bonded Turntrans-68.9-27.3170.471.30000112.9N159N159-S161 PolarHBondContact ND2-OG 2.83Å; N159-S161 VanDerWaalsContact ND2-OG 3.15Å; N159-S161 PolarHBondContact O-N 2.93Å; N159-S161 WeakPolarHBondContact OD1-CB 3.5Å; N159-S161 PolarHBondContact OD1-N 2.98Å; N159-S161 PolarHBondContact OD1-OG 2.91Å
162T85.6Confident89Confident80 Ų8057.8 Ų57.849%0.49130%0.298SS..THydrogen-bonded Turntrans-78.7-47.1177.9600000111.2N159 C160N159-T162 PolarHBondContact O-N 3.49Å; N159-T162 PolarHBondContact O-OG1 2.86Å; C160-T162 VanDerWaalsContact C-N 3.29Å
163D84.1Confident89.2Confident60 Ų6062.1 Ų62.132%0.32131%0.305SS..  trans-127.964.3-175.5-81.9-11.7000112.8G107 E108 R165 S166 C167G107-D163 WeakPolarHBondContact CA-OD2 3.25Å; E108-D163 PolarHBondContact N-OD2 3.29Å; D163-R165 VanDerWaalsContact C-N 3.34Å; D163-R165 PolarHBondContact O-N 2.77Å; D163-S166 PolarHBondContact O-N 2.98Å; D163-C167 PolarHBondContact O-N 2.87Å
164F86.4Confident89.2Confident95 Ų9568.5 Ų68.542%0.41733%0.329SS..Hα-helixtrans-58.4-41.1-176.7179.4-113.6000113.9Q130 C160 S166 C167 I168Q130-F164 HydrophobicContact CB-CD2 4.04Å; Q130-F164 HydrophobicContact CB-CE2 4.12Å; Q130-F164 VanDerWaalsContact OE1-CE2 3.27Å; C160-F164 WeakPolarHBondContact O-CA 3.17Å; C160-F164 WeakPolarHBondContact O-CB 3.46Å; C160-F164 PolarHBondContact O-N 2.83Å; C160-F164 VanDerWaalsContact O-N 3.14Å; F164-S166 VanDerWaalsContact C-N 3.3Å; F164-S166 PolarHBondContact O-N 3.39Å; F164-C167 PolarHBondContact O-N 3.05Å; F164-I168 HydrophobicContact CD1-CD1 3.91Å; F164-I168 HydrophobicContact CD1-CG1 4.45Å; F164-I168 HydrophobicContact CD2-CG1 4.49Å; F164-I168 HydrophobicContact CE1-CD1 3.19Å; F164-I168 HydrophobicContact CE1-CG1 4.04Å; F164-I168 HydrophobicContact CE2-CD1 3.97Å; F164-I168 HydrophobicContact CE2-CG1 4.08Å; F164-I168 HydrophobicContact CZ-CD1 3.25Å; F164-I168 HydrophobicContact CZ-CG1 3.87Å; F164-I168 PolarHBondContact O-N 3.31Å
165R88.4Confident89.3Confident219 Ų21963.9 Ų63.983%0.82631%0.314SS*.Hα-helixtrans-61.3-39.2-177.4-170.4177.9-175.4-175.21.5111.9D163 K169D163-R165 VanDerWaalsContact C-N 3.34Å; D163-R165 PolarHBondContact O-N 2.77Å; R165-K169 PolarHBondContact O-N 3.09Å; R165-K169 VanDerWaalsContact O-N 3.11Å
166S87.4Confident89.3Confident23 Ų2363.9 Ų63.916%0.16131%0.314CS..Hα-helixtrans-71.7-38.3179.3-59.50000111.5E108 D163 F164 K169 R170E108-S166 VanDerWaalsContact OE2-CB 3.22Å; E108-S166 WeakPolarHBondContact OE2-CB 3.5Å; E108-S166 PolarHBondContact OE2-OG 3.2Å; D163-S166 PolarHBondContact O-N 2.98Å; F164-S166 VanDerWaalsContact C-N 3.3Å; F164-S166 PolarHBondContact O-N 3.39Å; S166-K169 PolarHBondContact O-N 3.07Å; S166-R170 WeakPolarHBondContact O-CG 3.43Å; S166-R170 PolarHBondContact O-N 2.83Å
167C90.1Very high89.3Confident5 Ų563.9 Ų63.93%0.03431%0.314CS..Hα-helixtrans-62.9-43.6172.9-70.90000112.4C160 D163 F164 K169 R170 G171 W172C160-C167 VanDerWaalsContact CA-SG 3.57Å; C160-C167 HydrophobicContact CB-CB 3.74Å; C160-C167 WeakPolarHBondContact CB-SG 3.43Å; C160-C167 WeakPolarHBondContact SG-CB 3.25Å; C160-C167 CovalentContact SG-SG 2.04Å; C160-C167 PolarHBondContact SG-SG 3.06Å; D163-C167 PolarHBondContact O-N 2.87Å; F164-C167 PolarHBondContact O-N 3.05Å; C167-K169 PolarHBondContact O-N 3.35Å; C167-R170 CarbonylContact O-C 3.57Å; C167-R170 PolarHBondContact O-N 3Å; C167-G171 PolarHBondContact O-N 2.78Å; C167-G171 VanDerWaalsContact O-N 3.11Å; C167-W172 HydrophobicContact CB-CB 4.21Å; C167-W172 PolarHBondContact O-N 3.24Å
168I89.3Confident89.4Confident75 Ų7562 Ų6239%0.38530%0.304SS..Hα-helixtrans-60-46.1175.1-75.4-172.1000111.3F164 R170 G171F164-I168 HydrophobicContact CD1-CD1 3.91Å; F164-I168 HydrophobicContact CD1-CG1 4.45Å; F164-I168 HydrophobicContact CD2-CG1 4.49Å; F164-I168 HydrophobicContact CE1-CD1 3.19Å; F164-I168 HydrophobicContact CE1-CG1 4.04Å; F164-I168 HydrophobicContact CE2-CD1 3.97Å; F164-I168 HydrophobicContact CE2-CG1 4.08Å; F164-I168 HydrophobicContact CZ-CD1 3.25Å; F164-I168 HydrophobicContact CZ-CG1 3.87Å; F164-I168 PolarHBondContact O-N 3.31Å; I168-R170 PolarHBondContact O-N 3.46Å; I168-R170 VanDerWaalsContact O-N 3.16Å; I168-G171 PolarHBondContact O-N 2.04Å
169K90.2Very high89.5Confident169 Ų16961.6 Ų61.674%0.73530%0.302SS*.Hα-helixtrans-57.7-31.1179.9-174.9-176.8174.2-168.20112.1R165 S166 C167R165-K169 PolarHBondContact O-N 3.09Å; R165-K169 VanDerWaalsContact O-N 3.11Å; S166-K169 PolarHBondContact O-N 3.07Å; C167-K169 PolarHBondContact O-N 3.35Å
170R87.7Confident89.4Confident59 Ų5958.6 Ų58.622%0.22329%0.286CS..THydrogen-bonded Turntrans-91.7-3.6179.8-67.8169.6173.8-101.20.5113.8E108 E116 S166 C167 I168 W172E108-R170 IonicContact OE1-NE 3.85Å; E108-R170 IonicContact OE1-NH2 3.94Å; E116-R170 VanDerWaalsContact CD-NH1 3.3Å; E116-R170 IonicContact OE1-CZ 2.94Å; E116-R170 IonicContact OE1-NH1 2.74Å; E116-R170 PolarHBondContact OE1-NH1 3.31Å; E116-R170 IonicContact OE1-NH2 3.65Å; E116-R170 IonicContact OE2-CZ 2.59Å; E116-R170 IonicContact OE2-NH1 2.61Å; E116-R170 PolarHBondContact OE2-NH1 3.33Å; E116-R170 IonicContact OE2-NH2 3.19Å; E116-R170 PolarHBondContact OE2-NH2 2.9Å; S166-R170 WeakPolarHBondContact O-CG 3.43Å; S166-R170 PolarHBondContact O-N 2.83Å; C167-R170 CarbonylContact O-C 3.57Å; C167-R170 PolarHBondContact O-N 3Å; I168-R170 PolarHBondContact O-N 3.46Å; I168-R170 VanDerWaalsContact O-N 3.16Å; R170-W172 HydrophobicContact CB-CD2 3.91Å; R170-W172 HydrophobicContact CB-CE3 4.1Å; R170-W172 HydrophobicContact CB-CG 4.38Å; R170-W172 HydrophobicContact CB-CH2 4.46Å; R170-W172 HydrophobicContact CB-CZ2 4.27Å; R170-W172 HydrophobicContact CB-CZ3 4.36Å
171G88.8Confident89.3Confident45 Ų4558.7 Ų58.746%0.46429%0.287SS..THydrogen-bonded Turntrans83.610.5-179.800000115C167 I168 Q173C167-G171 PolarHBondContact O-N 2.78Å; C167-G171 VanDerWaalsContact O-N 3.11Å; I168-G171 PolarHBondContact O-N 2.04Å; G171-Q173 VanDerWaalsContact C-N 3.3Å; G171-Q173 PolarHBondContact O-N 2.6Å
172W90.4Very high89.2Confident13 Ų1355.7 Ų55.75%0.04927%0.266CS..  trans-87.265.6-177.6-57.3-24.8000112.1F111 V127 L158 C167 R170 M176 I178 L193F111-W172 HydrophobicContact CD1-CH2 4.47Å; F111-W172 AromaticContact CE1-CH2 3.81Å; F111-W172 HydrophobicContact CE1-CH2 3.81Å; F111-W172 HydrophobicContact CE2-CH2 4.38Å; F111-W172 AromaticContact CZ-CH2 3.75Å; F111-W172 HydrophobicContact CZ-CH2 3.75Å; V127-W172 HydrophobicContact CG1-CB 4.04Å; V127-W172 HydrophobicContact CG1-CD2 4.35Å; V127-W172 HydrophobicContact CG1-CE3 4.18Å; V127-W172 HydrophobicContact CG1-CG 4.34Å; V127-W172 HydrophobicContact CG2-CD2 4.34Å; V127-W172 HydrophobicContact CG2-CE3 4.3Å; L158-W172 HydrophobicContact CD2-CE3 3.74Å; L158-W172 HydrophobicContact CD2-CH2 4.33Å; L158-W172 HydrophobicContact CD2-CZ3 3.34Å; C167-W172 HydrophobicContact CB-CB 4.21Å; C167-W172 PolarHBondContact O-N 3.24Å; R170-W172 HydrophobicContact CB-CD2 3.91Å; R170-W172 HydrophobicContact CB-CE3 4.1Å; R170-W172 HydrophobicContact CB-CG 4.38Å; R170-W172 HydrophobicContact CB-CH2 4.46Å; R170-W172 HydrophobicContact CB-CZ2 4.27Å; R170-W172 HydrophobicContact CB-CZ3 4.36Å; W172-M176 VanDerWaalsContact CD1-SD 3.5Å; W172-M176 HydrophobicContact CG-SD 4.28Å; W172-I178 HydrophobicContact CH2-CD1 3.86Å; W172-I178 HydrophobicContact CZ2-CD1 3.64Å; W172-L193 HydrophobicContact CZ2-CD1 4.34Å
173Q87.6Confident88.8Confident139 Ų13957.1 Ų57.165%0.6527%0.267SS*.  trans-84.3-15.7178.6-65.3-176.7-20.800113.5G171G171-Q173 VanDerWaalsContact C-N 3.3Å; G171-Q173 PolarHBondContact O-N 2.6Å
174R90.3Very high88.2Confident140 Ų14057 Ų5753%0.52827%0.269SS..SBendtrans-123.7149179.263.7-178.4177.7178.8-0.1110.3A129 Q132 M176A129-R174 VanDerWaalsContact CB-C 3.47Å; Q132-R174 VanDerWaalsContact OE1-CA 3.28Å; R174-M176 HydrophobicContact CG-CE 3.71Å; R174-M176 PolarHBondContact O-N 3.3Å
175S91.3Very high87.3Confident18 Ų1856.1 Ų56.113%0.12627%0.274CS..  trans-58.5128.1173.3-66.40000109.3V127 A129 Q132 E133 V135V127-S175 CarbonylContact O-C 3.6Å; V127-S175 VanDerWaalsContact O-CA 3.25Å; V127-S175 WeakPolarHBondContact O-CA 3.48Å; A129-S175 PolarHBondContact N-OG 3.28Å; Q132-S175 WeakPolarHBondContact CB-OG 3.48Å; E133-S175 WeakPolarHBondContact O-CB 3.48Å; E133-S175 PolarHBondContact O-OG 3.35Å; V135-S175 WeakPolarHBondContact CG2-O 3.45Å
176M92.3Very high86.2Confident10 Ų1048.7 Ų48.75%0.04926%0.26CS..EExtended strand (participates in β ladder)trans-149.9162.2-17662.1175.762.500111.7V127 W172 R174 I178 E195V127-M176 HydrophobicContact CB-CG 4.15Å; V127-M176 PolarHBondContact N-O 3.31Å; V127-M176 PolarHBondContact O-N 3.34Å; W172-M176 VanDerWaalsContact CD1-SD 3.5Å; W172-M176 HydrophobicContact CG-SD 4.28Å; R174-M176 HydrophobicContact CG-CE 3.71Å; R174-M176 PolarHBondContact O-N 3.3Å; M176-I178 HydrophobicContact CG-CG2 4.05Å; M176-I178 HydrophobicContact SD-CG2 3.94Å; M176-E195 HydrophobicContact SD-CB 4.43Å; M176-E195 HydrophobicContact SD-CG 3.87Å
177V93.3Very high85Confident1 Ų151.5 Ų51.51%0.00628%0.279CS..EExtended strand (participates in β ladder)trans-105.7128.1170.9179.20000107.9L124 V135 Y196 I206L124-V177 HydrophobicContact CD1-CG1 3.51Å; L124-V177 HydrophobicContact CD2-CG1 4.17Å; L124-V177 HydrophobicContact CG-CG1 3.82Å; V135-V177 HydrophobicContact CB-CG2 4.22Å; V135-V177 HydrophobicContact CG1-CG2 4.17Å; V177-Y196 WeakPolarHBondContact O-CB 3.47Å; V177-Y196 PolarHBondContact O-N 2.69Å; V177-I206 HydrophobicContact CG1-CG2 4.34Å
178I93.3Very high83.6Confident2 Ų260.2 Ų60.21%0.0132%0.317CS..EExtended strand (participates in β ladder)trans-116.6142.3178.367.5176.5000110F111 V125 V127 W172 M176 K194 E195F111-I178 HydrophobicContact CE2-CD1 4.07Å; F111-I178 HydrophobicContact CZ-CD1 3.86Å; V125-I178 HydrophobicContact CB-CD1 4.03Å; V125-I178 HydrophobicContact CB-CG1 3.64Å; V125-I178 HydrophobicContact CG1-CD1 4.33Å; V125-I178 HydrophobicContact CG1-CG1 4.31Å; V125-I178 PolarHBondContact N-O 2.85Å; V125-I178 WeakPolarHBondContact O-CG1 3.48Å; V125-I178 PolarHBondContact O-N 3.41Å; V127-I178 HydrophobicContact CG2-CD1 3.84Å; V127-I178 HydrophobicContact CG2-CG1 4.12Å; V127-I178 HydrophobicContact CG2-CG2 4.27Å; W172-I178 HydrophobicContact CH2-CD1 3.86Å; W172-I178 HydrophobicContact CZ2-CD1 3.64Å; M176-I178 HydrophobicContact CG-CG2 4.05Å; M176-I178 HydrophobicContact SD-CG2 3.94Å; I178-K194 CarbonylContact C-O 3.53Å; I178-K194 VanDerWaalsContact CA-O 3.31Å; I178-K194 WeakPolarHBondContact CA-O 3.46Å; I178-E195 HydrophobicContact CG2-CG 4.18Å
179M92.6Very high82.5Confident1 Ų157.6 Ų57.61%0.00531%0.308CS..EExtended strand (participates in β ladder)trans-109134170.8-174.2-166.885.300109W123 L124 A181 L193 K194 W209 M210 H213 L214W123-M179 CarbonylContact O-C 3.56Å; W123-M179 WeakPolarHBondContact O-CA 3.19Å; L124-M179 HydrophobicContact CD1-CB 4.33Å; M179-A181 HydrophobicContact CE-CB 3.94Å; M179-L193 CarbonylContact O-C 3.46Å; M179-L193 WeakPolarHBondContact O-CA 3.04Å; M179-K194 HydrophobicContact CE-CD 4.3Å; M179-K194 PolarHBondContact N-O 2.91Å; M179-K194 PolarHBondContact O-N 2.92Å; M179-W209 HydrophobicContact CB-CH2 3.55Å; M179-W209 HydrophobicContact CB-CZ3 3.79Å; M179-M210 HydrophobicContact CG-CG 4.05Å; M179-M210 HydrophobicContact SD-CB 4.19Å; M179-M210 HydrophobicContact SD-CG 3.44Å; M179-M210 WeakPolarHBondContact SD-CG 3.46Å; M179-H213 HydrophobicContact CE-CB 3.79Å; M179-H213 HydrophobicContact SD-CB 4.27Å; M179-L214 HydrophobicContact SD-CG 4.46Å
180S91.1Very high81.8Confident2 Ų257.6 Ų57.61%0.01431%0.308CS..EExtended strand (participates in β ladder)trans-108.4132.3168.5-176.10000110.1V115 I122 W123 V191 M192V115-S180 WeakPolarHBondContact CG1-OG 3.22Å; V115-S180 PolarHBondContact O-OG 3.09Å; I122-S180 WeakPolarHBondContact CA-O 3.44Å; W123-S180 PolarHBondContact N-O 3.34Å; W123-S180 PolarHBondContact O-N 3.01Å; S180-V191 WeakPolarHBondContact OG-CG1 3.43Å; S180-M192 WeakPolarHBondContact CA-O 3.02Å
181A88.3Confident81.7Confident3 Ų356.2 Ų56.23%0.02531%0.306CS..EExtended strand (participates in β ladder)trans-152.6154.6171.700000110.5M179 Q183 M192 L214M179-A181 HydrophobicContact CE-CB 3.94Å; A181-Q183 PolarHBondContact O-N 3.03Å; A181-M192 HydrophobicContact CB-CG 4.41Å; A181-M192 PolarHBondContact N-O 3.23Å; A181-M192 VanDerWaalsContact N-O 3.11Å; A181-M192 WeakPolarHBondContact O-CG 3.42Å; A181-M192 PolarHBondContact O-N 2.74Å; A181-L214 HydrophobicContact CB-CD2 4.12Å
182P84.6Confident81.5Confident10 Ų1055.5 Ų55.57%0.06529%0.291CS..EExtended strand (participates in β ladder)trans-66.6133.2176.623.4-31000112.1R217 V259P182-R217 PolarHBondContact O-NE 3.02Å; P182-V259 HydrophobicContact CG-CG1 3.61Å; P182-V259 HydrophobicContact CG-CG2 4.44Å
183Q77.5Confident81.4Confident111 Ų11158 Ų5852%0.51931%0.305SS..SBendtrans-71.8-36.5-173.4-172.6173.321.600113.8A181 K190 M192A181-Q183 PolarHBondContact O-N 3.03Å; Q183-K190 WeakPolarHBondContact CB-O 3.36Å; Q183-K190 PolarHBondContact N-O 3.4Å; Q183-M192 HydrophobicContact CB-CB 4.27Å; Q183-M192 HydrophobicContact CB-CE 4.18Å; Q183-M192 HydrophobicContact CG-CE 4.1Å
184T71.5Confident81.6Confident58 Ų5853.1 Ų53.136%0.35628%0.282SS..SBendtrans-120161-176.256.40000110.7A186 G189 R217T184-A186 PolarHBondContact O-N 3.24Å; T184-G189 WeakPolarHBondContact OG1-CA 3.5Å; T184-R217 PolarHBondContact O-NH2 2.82Å
185S67.6Low81.7Confident76 Ų7650.4 Ų50.453%0.53128%0.275SS..SBendtrans-72.6-11.7170.6-50.10000112.9G263S185-G263 PolarHBondContact O-N 3.39Å
186A66.1Low81.8Confident63 Ų6351 Ų5152%0.52127%0.274SS..SBendtrans-74.7138.9176.700000112.5T184 K188 G189T184-A186 PolarHBondContact O-N 3.24Å; A186-K188 PolarHBondContact O-N 3.35Å; A186-K188 VanDerWaalsContact O-N 3.09Å; A186-G189 PolarHBondContact O-N 3.2Å
187S61.7Low81.5Confident82 Ų8255.8 Ų55.857%0.57330%0.304SS*.THydrogen-bonded Turntrans-65.3-9.6-177.556.40000115.4K119K119-S187 WeakPolarHBondContact CD-O 3.19Å; K119-S187 PolarHBondContact NZ-O 3.48Å
188K61.3Low80.9Confident188 Ų18857.3 Ų57.382%0.81732%0.32SS*.THydrogen-bonded Turntrans-119.218.6177.3-66.1-173.8179.8179.70114.3A186A186-K188 PolarHBondContact O-N 3.35Å; A186-K188 VanDerWaalsContact O-N 3.09Å
189G64.4Low80.2Confident19 Ų1965.7 Ų65.720%0.19636%0.359CS..PPolyproline II helixtrans-69.3161.7178.300000114.5T184 A186T184-G189 WeakPolarHBondContact OG1-CA 3.5Å; A186-G189 PolarHBondContact O-N 3.2Å
190K77.1Confident79.8Confident169 Ų16972.3 Ų72.374%0.73539%0.385SS*.PPolyproline II helixtrans-71.4148.1168.7-69.4-176.2178.3-178.10110.5Q183Q183-K190 WeakPolarHBondContact CB-O 3.36Å; Q183-K190 PolarHBondContact N-O 3.4Å
191V84.1Confident79.5Confident31 Ų3176.4 Ų76.419%0.18841%0.406CS..EExtended strand (participates in β ladder)trans-82133.3171.2-1800000109E116 S180E116-V191 VanDerWaalsContact O-CG2 3.31Å; E116-V191 WeakPolarHBondContact O-CG2 3.46Å; S180-V191 WeakPolarHBondContact OG-CG1 3.43Å
192M85Confident79.4Confident30 Ų3081.6 Ų81.615%0.14843%0.43CS..EExtended strand (participates in β ladder)trans-89.7129.6173.768.2167.388.300109.8S180 A181 Q183 K194S180-M192 WeakPolarHBondContact CA-O 3.02Å; A181-M192 HydrophobicContact CB-CG 4.41Å; A181-M192 PolarHBondContact N-O 3.23Å; A181-M192 VanDerWaalsContact N-O 3.11Å; A181-M192 WeakPolarHBondContact O-CG 3.42Å; A181-M192 PolarHBondContact O-N 2.74Å; Q183-M192 HydrophobicContact CB-CB 4.27Å; Q183-M192 HydrophobicContact CB-CE 4.18Å; Q183-M192 HydrophobicContact CG-CE 4.1Å; M192-K194 HydrophobicContact SD-CD 3.93Å; M192-K194 WeakPolarHBondContact SD-CE 3.26Å; M192-K194 HydrophobicContact SD-CG 4.32Å
193L89.4Confident79.5Confident65 Ų6582.5 Ų82.534%0.3444%0.435SS..EExtended strand (participates in β ladder)trans-99.7131.3164.8-65177000108.7F111 V115 E116 W172 M179F111-L193 HydrophobicContact CZ-CD2 4.4Å; V115-L193 HydrophobicContact CG1-CD2 4.37Å; E116-L193 WeakPolarHBondContact OE1-CD1 3.4Å; W172-L193 HydrophobicContact CZ2-CD1 4.34Å; M179-L193 CarbonylContact O-C 3.46Å; M179-L193 WeakPolarHBondContact O-CA 3.04Å
194K91Very high79.9Confident37 Ų3778.9 Ų78.916%0.16142%0.418CS..EExtended strand (participates in β ladder)trans-127.4130.5177.6-74.7-175.1168.3172.50110.5I178 M179 M192 W209 H213I178-K194 CarbonylContact C-O 3.53Å; I178-K194 VanDerWaalsContact CA-O 3.31Å; I178-K194 WeakPolarHBondContact CA-O 3.46Å; M179-K194 HydrophobicContact CE-CD 4.3Å; M179-K194 PolarHBondContact N-O 2.91Å; M179-K194 PolarHBondContact O-N 2.92Å; M192-K194 HydrophobicContact SD-CD 3.93Å; M192-K194 WeakPolarHBondContact SD-CE 3.26Å; M192-K194 HydrophobicContact SD-CG 4.32Å; K194-W209 HydrophobicContact CB-CH2 4.46Å; K194-W209 HydrophobicContact CB-CZ2 4.08Å; K194-W209 WeakPolarHBondContact O-CH2 3.28Å; K194-H213 HydrophobicContact CD-CB 4.39Å; K194-H213 PolarHBondContact NZ-ND1 3.39Å
195E92.4Very high80.7Confident82 Ų8279.2 Ų79.238%0.38342%0.416SS..EExtended strand (participates in β ladder)trans-89.7139.3177.6-60.2178.2-172.100110.5M176 I178 V197 W209M176-E195 HydrophobicContact SD-CB 4.43Å; M176-E195 HydrophobicContact SD-CG 3.87Å; I178-E195 HydrophobicContact CG2-CG 4.18Å; E195-V197 PolarHBondContact O-N 3.11Å; E195-W209 WeakPolarHBondContact O-CZ2 3.48Å
196Y92.6Very high81.8Confident30 Ų3075.7 Ų75.712%0.11839%0.391CS..  trans-79.5116.9170.9-176.6-110.9000110.2V177 Y200 I206 W209V177-Y196 WeakPolarHBondContact O-CB 3.47Å; V177-Y196 PolarHBondContact O-N 2.69Å; Y196-Y200 WeakPolarHBondContact CE1-O 3.35Å; Y196-Y200 PolarHBondContact OH-O 3.31Å; Y196-I206 HydrophobicContact CD1-CG1 4.11Å; Y196-I206 HydrophobicContact CE1-CD1 4.41Å; Y196-I206 HydrophobicContact CE1-CG1 3.75Å; Y196-I206 HydrophobicContact CE2-CG1 4.19Å; Y196-I206 HydrophobicContact CG-CG1 4.46Å; Y196-W209 HydrophobicContact CD2-CB 4Å; Y196-W209 AromaticContact CD2-CD1 3.97Å; Y196-W209 AromaticContact CD2-CD2 3.44Å; Y196-W209 HydrophobicContact CD2-CD2 3.44Å; Y196-W209 VanDerWaalsContact CD2-CD2 3.44Å; Y196-W209 AromaticContact CD2-CE2 3.84Å; Y196-W209 AromaticContact CD2-CE3 3.74Å; Y196-W209 HydrophobicContact CD2-CE3 3.74Å; Y196-W209 AromaticContact CD2-CG 3.53Å; Y196-W209 HydrophobicContact CD2-CG 3.53Å; Y196-W209 HydrophobicContact CD2-CZ2 4.47Å; Y196-W209 HydrophobicContact CD2-CZ3 4.37Å; Y196-W209 HydrophobicContact CE2-CB 3.73Å; Y196-W209 HydrophobicContact CE2-CD2 4.13Å; Y196-W209 AromaticContact CE2-CG 3.76Å; Y196-W209 HydrophobicContact CE2-CG 3.76Å; Y196-W209 HydrophobicContact CG-CD2 4.41Å; Y196-W209 HydrophobicContact CG-CE3 4.43Å
197V86.8Confident82.9Confident111 Ų11172.9 Ų72.967%0.67337%0.367SS*.  trans-112.921.8179.9-161.60000111.3E195E195-V197 PolarHBondContact O-N 3.11Å
198G81.6Confident84.2Confident34 Ų3475.1 Ų75.135%0.35136%0.363SS..  trans-75.4147.1-178.200000113.2
199Q78.6Confident85.6Confident177 Ų17768.2 Ų68.283%0.82733%0.332SS*.SBendtrans-73.8-27176.1-68.3177.5-17.200112.8
200Y83.3Confident86.9Confident140 Ų14067.4 Ų67.455%0.54932%0.323SS..  trans-98.6125.1-178.7-59.7-78.5000110.8Y196Y196-Y200 WeakPolarHBondContact CE1-O 3.35Å; Y196-Y200 PolarHBondContact OH-O 3.31Å
201I84.8Confident87.5Confident88 Ų8860 Ų6045%0.45129%0.292SS..  trans-102.633.8-175.2-50.6172.9000110.8V135 L136V135-I201 HydrophobicContact CG1-CD1 4.34Å; V135-I201 HydrophobicContact CG1-CG1 4.44Å; V135-I201 HydrophobicContact CG1-CG2 3.38Å; V135-I201 VanDerWaalsContact O-CG2 3.23Å; V135-I201 WeakPolarHBondContact O-CG2 3.49Å; L136-I201 HydrophobicContact CD2-CG2 3.94Å; L136-I201 WeakPolarHBondContact CD2-O 3.42Å; L136-I201 HydrophobicContact CG-CG2 4.43Å
202E86.2Confident87.7Confident113 Ų11361 Ų6153%0.52830%0.3SS..  trans-90.8152.4175.9-55.1-177.2168.500111E204 H205 I206E202-E204 PolarHBondContact O-N 3.27Å; E202-H205 PolarHBondContact O-N 3.31Å; E202-H205 IonicContact OE2-CD2 2.72Å; E202-I206 PolarHBondContact O-N 3.21Å
203T86.8Confident88Confident28 Ų2861.9 Ų61.917%0.17230%0.304CS..Hα-helixtrans-59.7-35.9-178.8530000112.4N140 M144 F207N140-T203 HydrophobicContact CB-CG2 4.15Å; N140-T203 WeakPolarHBondContact O-CG2 3.49Å; M144-T203 HydrophobicContact CB-CG2 4.39Å; M144-T203 HydrophobicContact CE-CG2 4.22Å; M144-T203 WeakPolarHBondContact CE-O 3.42Å; T203-F207 VanDerWaalsContact O-CB 3.27Å; T203-F207 WeakPolarHBondContact O-CB 3.49Å; T203-F207 PolarHBondContact O-N 3.27Å
204E85.3Confident87.9Confident36 Ų3659 Ų5917%0.16829%0.288CS..Hα-helixtrans-68.9-39179.5-65.8-52.8127.900112.9T60 K147 E202 F207 R208T60-E204 HydrophobicContact CG2-CB 3.82Å; T60-E204 HydrophobicContact CG2-CG 4.1Å; K147-E204 IonicContact NZ-OE1 3.27Å; K147-E204 PolarHBondContact NZ-OE1 2.71Å; K147-E204 IonicContact NZ-OE2 3.65Å; K147-E204 PolarHBondContact NZ-OE2 3.17Å; E202-E204 PolarHBondContact O-N 3.27Å; E204-F207 PolarHBondContact O-N 3.02Å; E204-R208 WeakPolarHBondContact O-CB 3.48Å; E204-R208 PolarHBondContact O-N 3.21Å
205H88.3Confident87.8Confident65 Ų6557.7 Ų57.730%0.30128%0.284SS..Hα-helixtrans-67.2-43.9179-79-74000111.7E202 R208 W209E202-H205 PolarHBondContact O-N 3.31Å; E202-H205 IonicContact OE2-CD2 2.72Å; H205-R208 PolarHBondContact O-N 3.4Å; H205-W209 WeakPolarHBondContact O-CB 3.45Å; H205-W209 PolarHBondContact O-N 2.89Å
206I90.9Very high87.6Confident1 Ų162 Ų621%0.00530%0.297CS..Hα-helixtrans-64.6-42.4176.1-64.9167.2000110.4L124 L136 M144 V177 Y196 E202 R208 W209 M210L124-I206 HydrophobicContact CD2-CG2 4.23Å; L136-I206 HydrophobicContact CD1-CD1 3.72Å; L136-I206 HydrophobicContact CD2-CD1 3.96Å; L136-I206 HydrophobicContact CG-CD1 4.04Å; M144-I206 HydrophobicContact CE-CB 3.7Å; M144-I206 HydrophobicContact CE-CG2 3.71Å; V177-I206 HydrophobicContact CG1-CG2 4.34Å; Y196-I206 HydrophobicContact CD1-CG1 4.11Å; Y196-I206 HydrophobicContact CE1-CD1 4.41Å; Y196-I206 HydrophobicContact CE1-CG1 3.75Å; Y196-I206 HydrophobicContact CE2-CG1 4.19Å; Y196-I206 HydrophobicContact CG-CG1 4.46Å; E202-I206 PolarHBondContact O-N 3.21Å; I206-R208 PolarHBondContact O-N 3.28Å; I206-W209 HydrophobicContact CG2-CE3 4.47Å; I206-W209 PolarHBondContact O-N 3.48Å; I206-M210 WeakPolarHBondContact O-CB 3.28Å; I206-M210 PolarHBondContact O-N 3.48Å
207F89.8Confident87.2Confident4 Ų462.5 Ų62.52%0.01830%0.299CS..Hα-helixtrans-61.3-44.1175.9-177.4-100.8000112K147 L148 F151 T203 E204 M210 T211 A252K147-F207 HydrophobicContact CD-CD2 4.13Å; K147-F207 HydrophobicContact CD-CE2 4.44Å; K147-F207 HydrophobicContact CD-CG 4.27Å; K147-F207 HydrophobicContact CG-CD2 4.44Å; K147-F207 HydrophobicContact CG-CE2 4.4Å; L148-F207 HydrophobicContact CD2-CD2 3.84Å; L148-F207 HydrophobicContact CD2-CE2 4.07Å; F151-F207 AromaticContact CD2-CE2 3.92Å; F151-F207 HydrophobicContact CD2-CE2 3.92Å; F151-F207 HydrophobicContact CD2-CZ 4.2Å; F151-F207 AromaticContact CE2-CE2 3.67Å; F151-F207 HydrophobicContact CE2-CE2 3.67Å; F151-F207 AromaticContact CE2-CZ 3.6Å; F151-F207 HydrophobicContact CE2-CZ 3.6Å; F151-F207 HydrophobicContact CZ-CZ 4.06Å; T203-F207 VanDerWaalsContact O-CB 3.27Å; T203-F207 WeakPolarHBondContact O-CB 3.49Å; T203-F207 PolarHBondContact O-N 3.27Å; E204-F207 PolarHBondContact O-N 3.02Å; F207-M210 HydrophobicContact CD2-CE 3.82Å; F207-M210 HydrophobicContact CE2-CE 3.99Å; F207-M210 PolarHBondContact O-N 2.83Å; F207-T211 HydrophobicContact CD1-CG2 4.23Å; F207-T211 HydrophobicContact CD2-CG2 4.44Å; F207-T211 HydrophobicContact CE1-CG2 3.84Å; F207-T211 HydrophobicContact CE2-CG2 4.06Å; F207-T211 HydrophobicContact CZ-CG2 3.75Å; F207-T211 WeakPolarHBondContact O-CB 3.32Å; F207-T211 VanDerWaalsContact O-CG2 3.3Å; F207-T211 WeakPolarHBondContact O-CG2 3.12Å; F207-T211 PolarHBondContact O-N 3.19Å; F207-T211 PolarHBondContact O-OG1 3.1Å; F207-A252 HydrophobicContact CZ-CB 3.9Å
208R88.9Confident87.3Confident130 Ų13057.7 Ų57.749%0.49127%0.269SS..Hα-helixtrans-64.8-40.9176.7-171.7176.3-176.8166.7-0.6112.5E204 H205 I206 T211 S212E204-R208 WeakPolarHBondContact O-CB 3.48Å; E204-R208 PolarHBondContact O-N 3.21Å; H205-R208 PolarHBondContact O-N 3.4Å; I206-R208 PolarHBondContact O-N 3.28Å; R208-T211 VanDerWaalsContact CA-OG1 3.3Å; R208-T211 WeakPolarHBondContact CA-OG1 3.49Å; R208-T211 PolarHBondContact O-OG1 2.75Å; R208-T211 VanDerWaalsContact O-OG1 3.06Å; R208-S212 VanDerWaalsContact O-CB 3.22Å; R208-S212 WeakPolarHBondContact O-CB 3.46Å; R208-S212 PolarHBondContact O-N 3.41Å
209W91Very high87.7Confident43 Ų4359.8 Ų59.816%0.16327%0.269CS..Hα-helixtrans-60.9-48.4175.2164.181.2000111.6L124 M179 K194 E195 Y196 H205 I206 S212 H213L124-W209 HydrophobicContact CD1-CZ3 4.21Å; M179-W209 HydrophobicContact CB-CH2 3.55Å; M179-W209 HydrophobicContact CB-CZ3 3.79Å; K194-W209 HydrophobicContact CB-CH2 4.46Å; K194-W209 HydrophobicContact CB-CZ2 4.08Å; K194-W209 WeakPolarHBondContact O-CH2 3.28Å; E195-W209 WeakPolarHBondContact O-CZ2 3.48Å; Y196-W209 HydrophobicContact CD2-CB 4Å; Y196-W209 AromaticContact CD2-CD1 3.97Å; Y196-W209 AromaticContact CD2-CD2 3.44Å; Y196-W209 HydrophobicContact CD2-CD2 3.44Å; Y196-W209 VanDerWaalsContact CD2-CD2 3.44Å; Y196-W209 AromaticContact CD2-CE2 3.84Å; Y196-W209 AromaticContact CD2-CE3 3.74Å; Y196-W209 HydrophobicContact CD2-CE3 3.74Å; Y196-W209 AromaticContact CD2-CG 3.53Å; Y196-W209 HydrophobicContact CD2-CG 3.53Å; Y196-W209 HydrophobicContact CD2-CZ2 4.47Å; Y196-W209 HydrophobicContact CD2-CZ3 4.37Å; Y196-W209 HydrophobicContact CE2-CB 3.73Å; Y196-W209 HydrophobicContact CE2-CD2 4.13Å; Y196-W209 AromaticContact CE2-CG 3.76Å; Y196-W209 HydrophobicContact CE2-CG 3.76Å; Y196-W209 HydrophobicContact CG-CD2 4.41Å; Y196-W209 HydrophobicContact CG-CE3 4.43Å; H205-W209 WeakPolarHBondContact O-CB 3.45Å; H205-W209 PolarHBondContact O-N 2.89Å; I206-W209 HydrophobicContact CG2-CE3 4.47Å; I206-W209 PolarHBondContact O-N 3.48Å; W209-S212 PolarHBondContact O-N 2.85Å; W209-H213 AromaticContact CD1-CD2 3.83Å; W209-H213 AromaticContact CD1-NE2 3.71Å; W209-H213 AromaticContact CE2-CD2 3.46Å; W209-H213 VanDerWaalsContact CE2-CD2 3.46Å; W209-H213 AromaticContact CE2-NE2 3.66Å; W209-H213 AromaticContact CZ2-CD2 3.84Å; W209-H213 AromaticContact NE1-CD2 3.26Å; W209-H213 PolarHBondContact NE1-CD2 2.9Å; W209-H213 VanDerWaalsContact NE1-CD2 3.26Å; W209-H213 AromaticContact NE1-NE2 3.02Å; W209-H213 PolarHBondContact NE1-NE2 3.05Å; W209-H213 PolarHBondContact O-N 3.01Å; W209-H213 VanDerWaalsContact O-N 3.13Å
210M90.7Very high88.3Confident1 Ų154 Ų541%0.00525%0.245CC..Hα-helixtrans-61.9-50.6179.5-176.5-162.56400111L148 I153 M179 I206 F207 S212 H213 L214L148-M210 HydrophobicContact CD2-CE 3.28Å; L148-M210 HydrophobicContact CD2-SD 3.67Å; I153-M210 HydrophobicContact CD1-CE 3.47Å; I153-M210 VanDerWaalsContact CD1-CE 3.47Å; I153-M210 HydrophobicContact CD1-SD 3.9Å; I153-M210 HydrophobicContact CG2-SD 4.22Å; M179-M210 HydrophobicContact CG-CG 4.05Å; M179-M210 HydrophobicContact SD-CB 4.19Å; M179-M210 HydrophobicContact SD-CG 3.44Å; M179-M210 WeakPolarHBondContact SD-CG 3.46Å; I206-M210 WeakPolarHBondContact O-CB 3.28Å; I206-M210 PolarHBondContact O-N 3.48Å; F207-M210 HydrophobicContact CD2-CE 3.82Å; F207-M210 HydrophobicContact CE2-CE 3.99Å; F207-M210 PolarHBondContact O-N 2.83Å; M210-S212 VanDerWaalsContact C-N 3.34Å; M210-S212 PolarHBondContact O-N 3.32Å; M210-H213 PolarHBondContact O-N 3.44Å; M210-H213 VanDerWaalsContact O-N 3.1Å; M210-L214 HydrophobicContact CG-CD1 4.39Å; M210-L214 WeakPolarHBondContact O-CG 3.4Å; M210-L214 PolarHBondContact O-N 3.42Å
211T89.4Confident88.6Confident15 Ų1547.3 Ų47.39%0.09222%0.219CC..Hα-helixtrans-62.3-37.9179.249.20000112.6F207 R208 H213 L214 A215 A252F207-T211 HydrophobicContact CD1-CG2 4.23Å; F207-T211 HydrophobicContact CD2-CG2 4.44Å; F207-T211 HydrophobicContact CE1-CG2 3.84Å; F207-T211 HydrophobicContact CE2-CG2 4.06Å; F207-T211 HydrophobicContact CZ-CG2 3.75Å; F207-T211 WeakPolarHBondContact O-CB 3.32Å; F207-T211 VanDerWaalsContact O-CG2 3.3Å; F207-T211 WeakPolarHBondContact O-CG2 3.12Å; F207-T211 PolarHBondContact O-N 3.19Å; F207-T211 PolarHBondContact O-OG1 3.1Å; R208-T211 VanDerWaalsContact CA-OG1 3.3Å; R208-T211 WeakPolarHBondContact CA-OG1 3.49Å; R208-T211 PolarHBondContact O-OG1 2.75Å; R208-T211 VanDerWaalsContact O-OG1 3.06Å; T211-H213 VanDerWaalsContact C-N 3.32Å; T211-H213 PolarHBondContact O-N 3.2Å; T211-L214 PolarHBondContact O-N 2.93Å; T211-A215 VanDerWaalsContact O-CB 3.28Å; T211-A215 WeakPolarHBondContact O-CB 3.49Å; T211-A215 PolarHBondContact O-N 3.04Å; T211-A252 HydrophobicContact CG2-CB 3.53Å
212S89.9Confident88.8Confident50 Ų5048 Ų4835%0.3522%0.22SC..Hα-helixtrans-60.4-40.1172.8179.10000112.4R208 W209 M210 A215 R216R208-S212 VanDerWaalsContact O-CB 3.22Å; R208-S212 WeakPolarHBondContact O-CB 3.46Å; R208-S212 PolarHBondContact O-N 3.41Å; W209-S212 PolarHBondContact O-N 2.85Å; M210-S212 VanDerWaalsContact C-N 3.34Å; M210-S212 PolarHBondContact O-N 3.32Å; S212-A215 PolarHBondContact O-N 3.4Å; S212-R216 PolarHBondContact O-N 3.35Å
213H89.8Confident88.8Confident50 Ų5048.9 Ų48.923%0.23122%0.224CC..Hα-helixtrans-70-34.9176.4-80.8-38.3000113.9M179 K194 W209 M210 T211M179-H213 HydrophobicContact CE-CB 3.79Å; M179-H213 HydrophobicContact SD-CB 4.27Å; K194-H213 HydrophobicContact CD-CB 4.39Å; K194-H213 PolarHBondContact NZ-ND1 3.39Å; W209-H213 AromaticContact CD1-CD2 3.83Å; W209-H213 AromaticContact CD1-NE2 3.71Å; W209-H213 AromaticContact CE2-CD2 3.46Å; W209-H213 VanDerWaalsContact CE2-CD2 3.46Å; W209-H213 AromaticContact CE2-NE2 3.66Å; W209-H213 AromaticContact CZ2-CD2 3.84Å; W209-H213 AromaticContact NE1-CD2 3.26Å; W209-H213 PolarHBondContact NE1-CD2 2.9Å; W209-H213 VanDerWaalsContact NE1-CD2 3.26Å; W209-H213 AromaticContact NE1-NE2 3.02Å; W209-H213 PolarHBondContact NE1-NE2 3.05Å; W209-H213 PolarHBondContact O-N 3.01Å; W209-H213 VanDerWaalsContact O-N 3.13Å; M210-H213 PolarHBondContact O-N 3.44Å; M210-H213 VanDerWaalsContact O-N 3.1Å; T211-H213 VanDerWaalsContact C-N 3.32Å; T211-H213 PolarHBondContact O-N 3.2Å
214L88.6Confident88.7Confident3 Ų349.2 Ų49.22%0.01623%0.228CC..Hα-helixtrans-70-41.4173.2-63.5171.8000111.2I122 I153 M179 A181 M210 T211 R216 R217 V259I122-L214 HydrophobicContact CD1-CD1 3.81Å; I122-L214 HydrophobicContact CD1-CD2 3.69Å; I122-L214 HydrophobicContact CD1-CG 4.41Å; I122-L214 HydrophobicContact CG1-CD2 4.05Å; I122-L214 HydrophobicContact CG2-CD1 4.44Å; I122-L214 HydrophobicContact CG2-CD2 4.16Å; I153-L214 HydrophobicContact CD1-CD1 4.4Å; M179-L214 HydrophobicContact SD-CG 4.46Å; A181-L214 HydrophobicContact CB-CD2 4.12Å; M210-L214 HydrophobicContact CG-CD1 4.39Å; M210-L214 WeakPolarHBondContact O-CG 3.4Å; M210-L214 PolarHBondContact O-N 3.42Å; T211-L214 PolarHBondContact O-N 2.93Å; L214-R216 VanDerWaalsContact C-N 3.29Å; L214-R216 PolarHBondContact O-N 3.45Å; L214-R217 WeakPolarHBondContact O-CB 3.27Å; L214-R217 PolarHBondContact O-N 2.93Å; L214-V259 HydrophobicContact CD2-CG2 4.33Å
215A89.3Confident88.7Confident10 Ų1050.6 Ų50.68%0.08325%0.246CC..Hα-helixtrans-58.3-39.7177.800000112.5T211 S212 R217 I218 P250T211-A215 VanDerWaalsContact O-CB 3.28Å; T211-A215 WeakPolarHBondContact O-CB 3.49Å; T211-A215 PolarHBondContact O-N 3.04Å; S212-A215 PolarHBondContact O-N 3.4Å; A215-R217 PolarHBondContact O-N 2.99Å; A215-R217 VanDerWaalsContact O-N 3.09Å; A215-I218 PolarHBondContact O-N 2.88Å; A215-P250 HydrophobicContact CB-CG 3.47Å; A215-P250 VanDerWaalsContact CB-CG 3.47Å
216R88.1Confident88.6Confident173 Ų17350.7 Ų50.765%0.65325%0.246SC*.THydrogen-bonded Turntrans-62.4-16.5177.7-164.1-174.464124.95.8113.8S212 L214S212-R216 PolarHBondContact O-N 3.35Å; L214-R216 VanDerWaalsContact C-N 3.29Å; L214-R216 PolarHBondContact O-N 3.45Å
217R83.7Confident88.5Confident40 Ų4050.7 Ų50.715%0.15125%0.246CC..THydrogen-bonded Turntrans-79.2-28176.8-170.1175.6-175.3-106-3112.2P182 T184 L214 A215 S258 V259P182-R217 PolarHBondContact O-NE 3.02Å; T184-R217 PolarHBondContact O-NH2 2.82Å; L214-R217 WeakPolarHBondContact O-CB 3.27Å; L214-R217 PolarHBondContact O-N 2.93Å; A215-R217 PolarHBondContact O-N 2.99Å; A215-R217 VanDerWaalsContact O-N 3.09Å; R217-S258 PolarHBondContact NH1-O 3.02Å; R217-V259 VanDerWaalsContact NH1-CA 3.32Å
218I88.9Confident88.3Confident10 Ų1053.5 Ų53.55%0.05126%0.261CS..SBendtrans-78136.6178.6-66.3164000108.4A215 T220 P250 F254 F267 F269A215-I218 PolarHBondContact O-N 2.88Å; I218-T220 PolarHBondContact O-N 2.62Å; I218-P250 HydrophobicContact CD1-CB 4.08Å; I218-P250 HydrophobicContact CD1-CG 4.03Å; I218-F254 HydrophobicContact CD1-CD1 3.73Å; I218-F254 HydrophobicContact CD1-CE1 4.12Å; I218-F254 HydrophobicContact CG2-CE1 4.29Å; I218-F267 HydrophobicContact CG1-CB 4.46Å; I218-F269 HydrophobicContact CG2-CB 3.74Å
219K88.9Confident88.2Confident78 Ų7854 Ų5434%0.33927%0.269SS..EExtended strand (participates in β ladder)trans-68.7119174.9-172.8174.5-1761730108.9E230 F269K219-E230 IonicContact NZ-OE2 2.83Å; K219-E230 PolarHBondContact NZ-OE2 3.33Å; K219-F269 PolarHBondContact O-N 3.19Å
220T90.9Very high88Confident55 Ų5552.8 Ų52.834%0.33727%0.265SS..EExtended strand (participates in β ladder)trans-98.5128.2175.4610000110.2I218 H222 F269I218-T220 PolarHBondContact O-N 2.62Å; T220-H222 PolarHBondContact OG1-NE2 2.99Å; T220-F269 CarbonylContact C-O 3.56Å; T220-F269 VanDerWaalsContact CA-O 3.27Å; T220-F269 WeakPolarHBondContact CA-O 3.44Å; T220-F269 HydrophobicContact CG2-CB 4.18Å; T220-F269 HydrophobicContact CG2-CD1 3.83Å; T220-F269 HydrophobicContact CG2-CG 4.4Å
221V90.4Very high87.8Confident0 Ų054.2 Ų54.20%027%0.27CS..EExtended strand (participates in β ladder)trans-108.5120.8177.1-179.80000108.2Q223 Q226 L227 I268 F269 V270 D271 W275V221-Q223 WeakPolarHBondContact CG1-O 3.36Å; V221-Q226 HydrophobicContact CG1-CB 4.13Å; V221-Q226 HydrophobicContact CG1-CG 4.29Å; V221-L227 HydrophobicContact CG1-CB 3.94Å; V221-I268 HydrophobicContact CG2-CG2 3.77Å; V221-F269 PolarHBondContact N-O 3.31Å; V221-V270 HydrophobicContact CB-CG2 4.39Å; V221-D271 PolarHBondContact O-N 2.87Å; V221-W275 HydrophobicContact CG1-CZ2 4.43Å
222H88.3Confident87.5Confident102 Ų10260 Ų6047%0.47230%0.296SS..  trans-108.6-13.8-179.9-62.2-70.2000113T220 D271 W275T220-H222 PolarHBondContact OG1-NE2 2.99Å; H222-D271 IonicContact CE1-OD2 2.64Å; H222-D271 IonicContact ND1-OD2 3.26Å; H222-W275 PolarHBondContact O-NE1 3.06Å
223Q86.6Confident86.7Confident132 Ų13260.5 Ų60.562%0.61730%0.299SS*.SBendtrans-122.2143-175.7-65.71771.300111.1V221 A225 Q226 L227V221-Q223 WeakPolarHBondContact CG1-O 3.36Å; Q223-A225 PolarHBondContact O-N 3.38Å; Q223-Q226 HydrophobicContact CB-CB 4.49Å; Q223-Q226 PolarHBondContact O-N 3.03Å; Q223-L227 PolarHBondContact O-N 3.45Å; Q223-L227 VanDerWaalsContact O-N 3.17Å
224S84.4Confident85.6Confident35 Ų3564.3 Ų64.325%0.24532%0.322CS..Hα-helixtrans-66.7-33-179.657.60000113.4L227 L228S224-L227 WeakPolarHBondContact O-CB 3.44Å; S224-L227 PolarHBondContact O-N 3.35Å; S224-L228 PolarHBondContact O-N 2.91Å
225A85.1Confident84.1Confident65 Ų6569.3 Ų69.354%0.53735%0.354SS..Hα-helixtrans-64.1-45.317700000111.9Q223 L227 L228 E229Q223-A225 PolarHBondContact O-N 3.38Å; A225-L227 VanDerWaalsContact C-N 3.27Å; A225-L227 PolarHBondContact O-N 2.94Å; A225-L228 PolarHBondContact O-N 2.74Å; A225-E229 PolarHBondContact O-N 2.7Å
226Q86.7Confident82.5Confident68 Ų6872.8 Ų72.832%0.31838%0.383SS..Hα-helixtrans-63.8-34.8175.3-172.5-174.515.200111.5V221 Q223 E230V221-Q226 HydrophobicContact CG1-CB 4.13Å; V221-Q226 HydrophobicContact CG1-CG 4.29Å; Q223-Q226 HydrophobicContact CB-CB 4.49Å; Q223-Q226 PolarHBondContact O-N 3.03Å; Q226-E230 VanDerWaalsContact O-CB 3.25Å; Q226-E230 WeakPolarHBondContact O-CB 3.16Å; Q226-E230 PolarHBondContact O-N 2.9Å
227L88.3Confident81.3Confident1 Ų169.8 Ų69.81%0.00538%0.376CS..Hα-helixtrans-63.9-46.3173.7178.969.1000111.4V221 Q223 S224 A225 E229 E230 W231 F242 F244 V270 W275 I284V221-L227 HydrophobicContact CG1-CB 3.94Å; Q223-L227 PolarHBondContact O-N 3.45Å; Q223-L227 VanDerWaalsContact O-N 3.17Å; S224-L227 WeakPolarHBondContact O-CB 3.44Å; S224-L227 PolarHBondContact O-N 3.35Å; A225-L227 VanDerWaalsContact C-N 3.27Å; A225-L227 PolarHBondContact O-N 2.94Å; L227-E229 VanDerWaalsContact C-N 3.34Å; L227-E230 PolarHBondContact O-N 3.2Å; L227-W231 WeakPolarHBondContact O-CB 3.35Å; L227-W231 PolarHBondContact O-N 2.95Å; L227-F242 HydrophobicContact CD1-CD1 4.12Å; L227-F242 HydrophobicContact CD1-CE1 3.96Å; L227-F244 HydrophobicContact CD1-CE1 4.17Å; L227-F244 HydrophobicContact CD1-CZ 4.26Å; L227-F244 HydrophobicContact CD2-CE1 3.72Å; L227-F244 HydrophobicContact CD2-CZ 4.3Å; L227-V270 HydrophobicContact CD1-CG2 3.96Å; L227-W275 HydrophobicContact CB-CH2 4.01Å; L227-W275 HydrophobicContact CD2-CH2 3.57Å; L227-W275 HydrophobicContact CD2-CZ3 3.6Å; L227-W275 HydrophobicContact CG-CH2 4.3Å; L227-I284 HydrophobicContact CD2-CD1 3.45Å; L227-I284 VanDerWaalsContact CD2-CD1 3.45Å; L227-I284 HydrophobicContact CG-CD1 4.05Å
228L86.6Confident80.8Confident62 Ų6270.9 Ų70.933%0.32539%0.388SS..Hα-helixtrans-64-42.2179.6-78.3165.7000111.2S224 A225 W231 H232 T280S224-L228 PolarHBondContact O-N 2.91Å; A225-L228 PolarHBondContact O-N 2.74Å; L228-W231 PolarHBondContact O-N 3.22Å; L228-H232 PolarHBondContact O-N 3.17Å; L228-H232 PolarHBondContact O-ND1 3.04Å; L228-T280 HydrophobicContact CD1-CG2 4.25Å
229E86.3Confident80.7Confident140 Ų14070.5 Ų70.565%0.65439%0.386SS*.Hα-helixtrans-57.9-51.7172.7-172.1178.4-173.800109.9A225 L227 W231 H232 S233A225-E229 PolarHBondContact O-N 2.7Å; L227-E229 VanDerWaalsContact C-N 3.34Å; E229-W231 VanDerWaalsContact C-N 3.32Å; E229-W231 PolarHBondContact O-N 2.85Å; E229-H232 CarbonylContact O-C 3.55Å; E229-H232 PolarHBondContact O-N 3.4Å; E229-S233 WeakPolarHBondContact O-CA 3.28Å; E229-S233 WeakPolarHBondContact O-CB 3.29Å; E229-S233 PolarHBondContact O-N 2.92Å
230E86.3Confident80.8Confident18 Ų1867.5 Ų67.58%0.08437%0.373CS..Hα-helixtrans-65.5-34.2-178.5-16855.8-13500113.9K219 Q226 L227 K240 F242 I268K219-E230 IonicContact NZ-OE2 2.83Å; K219-E230 PolarHBondContact NZ-OE2 3.33Å; Q226-E230 VanDerWaalsContact O-CB 3.25Å; Q226-E230 WeakPolarHBondContact O-CB 3.16Å; Q226-E230 PolarHBondContact O-N 2.9Å; L227-E230 PolarHBondContact O-N 3.2Å; E230-K240 PolarHBondContact O-NZ 3.02Å; E230-K240 IonicContact OE1-NZ 3.41Å; E230-K240 PolarHBondContact OE1-NZ 3.43Å; E230-F242 HydrophobicContact CG-CE1 4.39Å; E230-F242 HydrophobicContact CG-CZ 4.48Å; E230-I268 HydrophobicContact CG-CD1 3.63Å
231W86.4Confident80.9Confident31 Ų3165 Ų6512%0.11736%0.358CS..Hα-helixtrans-65-46.2175-173.6-99.3000109.5L227 L228 E229 F242 I284 I293 K295 V300L227-W231 WeakPolarHBondContact O-CB 3.35Å; L227-W231 PolarHBondContact O-N 2.95Å; L228-W231 PolarHBondContact O-N 3.22Å; E229-W231 VanDerWaalsContact C-N 3.32Å; E229-W231 PolarHBondContact O-N 2.85Å; W231-F242 HydrophobicContact CE3-CD2 4.22Å; W231-F242 AromaticContact CE3-CE2 3.79Å; W231-F242 HydrophobicContact CE3-CE2 3.79Å; W231-F242 AromaticContact CE3-CZ 3.97Å; W231-F242 HydrophobicContact CE3-CZ 3.97Å; W231-F242 AromaticContact CZ3-CD2 3.93Å; W231-F242 HydrophobicContact CZ3-CD2 3.93Å; W231-F242 AromaticContact CZ3-CE2 3.89Å; W231-F242 HydrophobicContact CZ3-CE2 3.89Å; W231-F242 HydrophobicContact CZ3-CZ 4.49Å; W231-I284 HydrophobicContact CD2-CG1 4.47Å; W231-I284 HydrophobicContact CD2-CG2 4.4Å; W231-I284 HydrophobicContact CE3-CG2 4.12Å; W231-I284 HydrophobicContact CH2-CG2 3.6Å; W231-I284 HydrophobicContact CZ2-CG2 3.88Å; W231-I284 HydrophobicContact CZ3-CG2 3.72Å; W231-I293 HydrophobicContact CH2-CG2 4.2Å; W231-I293 HydrophobicContact CZ3-CG2 4.37Å; W231-K295 HydrophobicContact CD2-CD 4Å; W231-K295 HydrophobicContact CE3-CD 3.88Å; W231-K295 HydrophobicContact CH2-CD 4.19Å; W231-K295 HydrophobicContact CZ2-CD 4.31Å; W231-K295 HydrophobicContact CZ3-CB 4.33Å; W231-K295 HydrophobicContact CZ3-CD 3.98Å; W231-K295 WeakPolarHBondContact O-CE 3.44Å; W231-K295 PolarHBondContact O-NZ 3.22Å; W231-V300 HydrophobicContact CH2-CG1 4.02Å; W231-V300 HydrophobicContact CH2-CG2 3.8Å; W231-V300 HydrophobicContact CZ2-CG2 3.74Å
232H83.1Confident81Confident138 Ų13865 Ų6564%0.63936%0.358SS*.Hα-helixtrans-86.5-13.4-178.4-60.894.8000113.9L228 E229 D234L228-H232 PolarHBondContact O-N 3.17Å; L228-H232 PolarHBondContact O-ND1 3.04Å; E229-H232 CarbonylContact O-C 3.55Å; E229-H232 PolarHBondContact O-N 3.4Å; H232-D234 PolarHBondContact O-N 3.13Å
233S74.5Confident81.2Confident59 Ų5960.1 Ų60.141%0.41334%0.335SS..  trans-71.3113.4-173.3-168.90000113E229 K240E229-S233 WeakPolarHBondContact O-CA 3.28Å; E229-S233 WeakPolarHBondContact O-CB 3.29Å; E229-S233 PolarHBondContact O-N 2.92Å; S233-K240 PolarHBondContact O-NZ 2.95Å
234D66.1Low81.5Confident131 Ų13153.8 Ų53.870%0.70131%0.306SS*.  trans30.9148.1157.6-102.2-2.6000123.9H232 A236H232-D234 PolarHBondContact O-N 3.13Å; D234-A236 VanDerWaalsContact C-N 3.3Å; D234-A236 PolarHBondContact O-N 3.16Å
235P57.1Low81.7Confident108 Ų10852.1 Ų52.170%0.70129%0.294SS*.THydrogen-bonded Turntrans-79.65.8-169.534.2-36.6000115.5H237P235-H237 VanDerWaalsContact C-N 3.25Å; P235-H237 PolarHBondContact O-N 2.81Å
236A55.7Low81.9Confident82 Ų8252 Ų5268%0.67828%0.282SS*.THydrogen-bonded Turntrans-67.4-23.6-178.700000113.4D234D234-A236 VanDerWaalsContact C-N 3.3Å; D234-A236 PolarHBondContact O-N 3.16Å
237H62.7Low81.9Confident111 Ų11149.2 Ų49.251%0.51427%0.269SS..SBendtrans-132.999.8172-62.990000108.9P235 I239P235-H237 VanDerWaalsContact C-N 3.25Å; P235-H237 PolarHBondContact O-N 2.81Å; H237-I239 VanDerWaalsContact C-N 3.35Å; H237-I239 PolarHBondContact O-N 3.32Å
238P72.6Confident81.7Confident63 Ų6353.2 Ų53.241%0.40930%0.298SS..  trans-71.6-25.6-165.124.3-32.7000114.1P297P238-P297 HydrophobicContact CB-CG 3.97Å; P238-P297 VanDerWaalsContact O-CD 3.3Å; P238-P297 WeakPolarHBondContact O-CD 3.41Å
239I87.9Confident81.6Confident2 Ų254 Ų541%0.0130%0.3CS..  trans-118.7123.1-172.5-51176.7000111.1H237 I265 E266 L294 K295 M296 Q324H237-I239 VanDerWaalsContact C-N 3.35Å; H237-I239 PolarHBondContact O-N 3.32Å; I239-I265 HydrophobicContact CB-CG1 4.43Å; I239-I265 HydrophobicContact CG2-CG1 4.17Å; I239-I265 HydrophobicContact CG2-CG2 4.07Å; I239-E266 PolarHBondContact O-N 3.43Å; I239-L294 HydrophobicContact CG2-CD1 3.56Å; I239-L294 HydrophobicContact CG2-CG 4.26Å; I239-K295 WeakPolarHBondContact CA-O 3.45Å; I239-M296 HydrophobicContact CG2-CG 4.48Å; I239-Q324 HydrophobicContact CD1-CB 4.26Å; I239-Q324 HydrophobicContact CD1-CG 4.27Å; I239-Q324 VanDerWaalsContact CD1-OE1 3.26Å
240K91.1Very high81.8Confident15 Ų1547.9 Ų47.97%0.06527%0.272CS..EExtended strand (participates in β ladder)trans-125.5132.4176.9-57.6-175.9-174.4179.50110E230 S233 F242 E266 I268 K295E230-K240 PolarHBondContact O-NZ 3.02Å; E230-K240 IonicContact OE1-NZ 3.41Å; E230-K240 PolarHBondContact OE1-NZ 3.43Å; S233-K240 PolarHBondContact O-NZ 2.95Å; K240-F242 HydrophobicContact CB-CD2 4.25Å; K240-F242 HydrophobicContact CB-CE2 3.58Å; K240-F242 HydrophobicContact CB-CZ 4.11Å; K240-F242 HydrophobicContact CD-CE2 4.36Å; K240-F242 HydrophobicContact CD-CZ 4.14Å; K240-E266 CarbonylContact C-O 3.5Å; K240-E266 WeakPolarHBondContact CA-O 3.29Å; K240-E266 HydrophobicContact CG-CB 4.31Å; K240-I268 HydrophobicContact CB-CD1 4.26Å; K240-I268 HydrophobicContact CD-CD1 3.98Å; K240-I268 HydrophobicContact CG-CD1 4.45Å; K240-K295 HydrophobicContact CB-CB 4.48Å; K240-K295 PolarHBondContact N-O 3.02Å; K240-K295 PolarHBondContact O-N 3.49Å
241M92.8Very high82.1Confident1 Ų147 Ų471%0.00527%0.268CS..EExtended strand (participates in β ladder)trans-106.2112.1175.5-175.766.1174.800109.1F254 I265 E266 F267 I268 Y292 L294 M316M241-F254 HydrophobicContact CG-CE2 3.89Å; M241-F254 HydrophobicContact CG-CZ 4.35Å; M241-I265 HydrophobicContact CB-CG2 3.97Å; M241-E266 PolarHBondContact N-O 3.36Å; M241-F267 HydrophobicContact CB-CD1 4.36Å; M241-F267 HydrophobicContact CB-CE1 4.45Å; M241-F267 HydrophobicContact CG-CD1 4.38Å; M241-F267 HydrophobicContact CG-CE1 4.29Å; M241-I268 PolarHBondContact O-N 3.36Å; M241-Y292 HydrophobicContact CE-CD1 4.03Å; M241-Y292 HydrophobicContact CE-CG 4.37Å; M241-L294 HydrophobicContact CB-CD1 4.21Å; M241-L294 HydrophobicContact SD-CB 3.94Å; M241-L294 HydrophobicContact SD-CD1 3.84Å; M241-M316 HydrophobicContact CE-CE 3.85Å; M241-M316 HydrophobicContact CE-SD 3.87Å
242F92.9Very high82.2Confident0 Ų045.6 Ų45.60%026%0.263CS..EExtended strand (participates in β ladder)trans-98.1134.1178.6-65.7-92.4000110.7L227 E230 W231 K240 F244 I268 V270 I293 K295L227-F242 HydrophobicContact CD1-CD1 4.12Å; L227-F242 HydrophobicContact CD1-CE1 3.96Å; E230-F242 HydrophobicContact CG-CE1 4.39Å; E230-F242 HydrophobicContact CG-CZ 4.48Å; W231-F242 HydrophobicContact CE3-CD2 4.22Å; W231-F242 AromaticContact CE3-CE2 3.79Å; W231-F242 HydrophobicContact CE3-CE2 3.79Å; W231-F242 AromaticContact CE3-CZ 3.97Å; W231-F242 HydrophobicContact CE3-CZ 3.97Å; W231-F242 AromaticContact CZ3-CD2 3.93Å; W231-F242 HydrophobicContact CZ3-CD2 3.93Å; W231-F242 AromaticContact CZ3-CE2 3.89Å; W231-F242 HydrophobicContact CZ3-CE2 3.89Å; W231-F242 HydrophobicContact CZ3-CZ 4.49Å; K240-F242 HydrophobicContact CB-CD2 4.25Å; K240-F242 HydrophobicContact CB-CE2 3.58Å; K240-F242 HydrophobicContact CB-CZ 4.11Å; K240-F242 HydrophobicContact CD-CE2 4.36Å; K240-F242 HydrophobicContact CD-CZ 4.14Å; F242-F244 HydrophobicContact CB-CD2 4.15Å; F242-F244 HydrophobicContact CB-CE2 3.49Å; F242-F244 VanDerWaalsContact CB-CE2 3.49Å; F242-F244 HydrophobicContact CB-CZ 4.09Å; F242-F244 HydrophobicContact CD1-CZ 4.46Å; F242-F244 HydrophobicContact CG-CE2 4.26Å; F242-F244 HydrophobicContact CG-CZ 4.44Å; F242-I268 WeakPolarHBondContact CA-O 3.33Å; F242-I268 HydrophobicContact CD1-CB 3.83Å; F242-I268 HydrophobicContact CD1-CD1 4.14Å; F242-I268 HydrophobicContact CD1-CG2 3.81Å; F242-I268 HydrophobicContact CE1-CB 4Å; F242-I268 HydrophobicContact CE1-CD1 3.47Å; F242-I268 VanDerWaalsContact CE1-CD1 3.47Å; F242-I268 HydrophobicContact CE1-CG1 4.33Å; F242-I268 HydrophobicContact CE1-CG2 3.89Å; F242-I268 HydrophobicContact CE2-CD1 4.4Å; F242-I268 HydrophobicContact CZ-CD1 3.62Å; F242-V270 HydrophobicContact CD1-CG2 4.05Å; F242-I293 HydrophobicContact CB-CB 4.4Å; F242-I293 PolarHBondContact N-O 3.26Å; F242-I293 PolarHBondContact O-N 2.97Å; F242-K295 HydrophobicContact CD2-CB 4.22Å; F242-K295 HydrophobicContact CE2-CB 3.92Å; F242-K295 HydrophobicContact CE2-CD 4.14Å
243L93.1Very high82.5Confident0 Ų039.1 Ų39.10%023%0.233CC..EExtended strand (participates in β ladder)trans-113.7107.7167.9170.953.1000108.9T245 P251 F254 I268 F269 V270 P290 Y292L243-T245 HydrophobicContact CD1-CG2 4.31Å; L243-T245 HydrophobicContact CD2-CG2 4.37Å; L243-T245 HydrophobicContact CG-CG2 3.97Å; L243-P251 HydrophobicContact CD2-CG 4.22Å; L243-F254 HydrophobicContact CB-CE1 4.14Å; L243-F254 HydrophobicContact CB-CE2 3.92Å; L243-F254 HydrophobicContact CB-CZ 3.69Å; L243-F254 HydrophobicContact CD2-CD1 4.23Å; L243-F254 HydrophobicContact CD2-CD2 4.29Å; L243-F254 HydrophobicContact CD2-CE1 4.43Å; L243-F254 HydrophobicContact CD2-CE2 4.48Å; L243-F254 HydrophobicContact CD2-CG 4.15Å; L243-I268 PolarHBondContact N-O 3.27Å; L243-F269 HydrophobicContact CD2-CD2 3.95Å; L243-F269 HydrophobicContact CD2-CE2 4.16Å; L243-F269 HydrophobicContact CG-CD2 4.17Å; L243-F269 HydrophobicContact CG-CE2 4.45Å; L243-V270 PolarHBondContact O-N 2.95Å; L243-P290 HydrophobicContact CD1-CB 4.44Å; L243-Y292 HydrophobicContact CD1-CD1 3.86Å; L243-Y292 HydrophobicContact CD1-CD2 4.29Å; L243-Y292 HydrophobicContact CD1-CE1 3.51Å; L243-Y292 HydrophobicContact CD1-CE2 3.94Å; L243-Y292 HydrophobicContact CD1-CG 4.24Å; L243-Y292 HydrophobicContact CD2-CE1 4Å; L243-Y292 HydrophobicContact CG-CE1 4.22Å
244F91Very high83.3Confident0 Ų036.3 Ų36.30%021%0.213CC..EExtended strand (participates in β ladder)trans-90.4121.3171.8-61.5-93.4000108.4L227 F242 V270 V272 L281 I284 V286 P290 S291 I293L227-F244 HydrophobicContact CD1-CE1 4.17Å; L227-F244 HydrophobicContact CD1-CZ 4.26Å; L227-F244 HydrophobicContact CD2-CE1 3.72Å; L227-F244 HydrophobicContact CD2-CZ 4.3Å; F242-F244 HydrophobicContact CB-CD2 4.15Å; F242-F244 HydrophobicContact CB-CE2 3.49Å; F242-F244 VanDerWaalsContact CB-CE2 3.49Å; F242-F244 HydrophobicContact CB-CZ 4.09Å; F242-F244 HydrophobicContact CD1-CZ 4.46Å; F242-F244 HydrophobicContact CG-CE2 4.26Å; F242-F244 HydrophobicContact CG-CZ 4.44Å; F244-V270 HydrophobicContact CD1-CB 3.77Å; F244-V270 HydrophobicContact CD1-CG1 3.67Å; F244-V270 HydrophobicContact CD1-CG2 4.14Å; F244-V270 HydrophobicContact CE1-CB 4.07Å; F244-V270 HydrophobicContact CE1-CG1 3.85Å; F244-V270 HydrophobicContact CE1-CG2 3.98Å; F244-V270 HydrophobicContact CG-CB 4.31Å; F244-V270 HydrophobicContact CZ-CG2 4.35Å; F244-V272 HydrophobicContact CB-CG2 4.11Å; F244-V272 HydrophobicContact CD1-CG2 4.24Å; F244-L281 HydrophobicContact CD1-CD2 3.94Å; F244-L281 HydrophobicContact CE1-CD2 4.12Å; F244-I284 HydrophobicContact CZ-CG2 4.15Å; F244-V286 HydrophobicContact CB-CG1 4.45Å; F244-V286 HydrophobicContact CD1-CG2 4.18Å; F244-V286 HydrophobicContact CD2-CG2 3.89Å; F244-V286 HydrophobicContact CE1-CG2 4.22Å; F244-V286 HydrophobicContact CE2-CG2 3.94Å; F244-V286 HydrophobicContact CG-CG2 4.01Å; F244-V286 HydrophobicContact CZ-CG2 4.11Å; F244-P290 CarbonylContact O-C 3.59Å; F244-P290 WeakPolarHBondContact O-CA 2.87Å; F244-P290 WeakPolarHBondContact O-CB 3.48Å; F244-S291 WeakPolarHBondContact CB-OG 3.48Å; F244-S291 WeakPolarHBondContact CD2-OG 3.38Å; F244-S291 PolarHBondContact N-O 3.4Å; F244-S291 PolarHBondContact O-N 3.44Å; F244-I293 HydrophobicContact CD2-CD1 4.05Å; F244-I293 HydrophobicContact CD2-CG1 4.27Å; F244-I293 HydrophobicContact CE2-CB 4.2Å; F244-I293 HydrophobicContact CE2-CD1 3.76Å; F244-I293 HydrophobicContact CE2-CG1 4.16Å
245T90.3Very high84.5Confident0 Ų030.1 Ų30.10%018%0.18CC..EExtended strand (participates in β ladder)trans-156.8163.2-177.9-178.70000112.6K74 L243 L247 F269 V270 V272K74-T245 PolarHBondContact O-OG1 2.89Å; L243-T245 HydrophobicContact CD1-CG2 4.31Å; L243-T245 HydrophobicContact CD2-CG2 4.37Å; L243-T245 HydrophobicContact CG-CG2 3.97Å; T245-L247 VanDerWaalsContact C-N 3.32Å; T245-L247 HydrophobicContact CG2-CB 3.85Å; T245-L247 HydrophobicContact CG2-CD1 4.29Å; T245-L247 HydrophobicContact CG2-CG 4.27Å; T245-L247 VanDerWaalsContact OG1-CG 3.25Å; T245-L247 WeakPolarHBondContact OG1-CG 3.43Å; T245-L247 PolarHBondContact OG1-N 2.81Å; T245-L247 VanDerWaalsContact OG1-N 3.16Å; T245-F269 HydrophobicContact CG2-CD2 4.1Å; T245-F269 HydrophobicContact CG2-CE2 3.2Å; T245-F269 HydrophobicContact CG2-CZ 3.52Å; T245-V270 PolarHBondContact N-O 3.31Å; T245-V270 VanDerWaalsContact N-O 3.1Å; T245-V272 PolarHBondContact O-N 3.38Å
246H87.9Confident86.1Confident63 Ų6325.6 Ų25.629%0.29215%0.151SC..SBendtrans-92.712.4169.8-65.1-61.3000113.1K74 R273 S289K74-H246 HydrophobicContact CG-CB 4.41Å; H246-R273 HydrophobicContact CB-CG 4.01Å; H246-R273 VanDerWaalsContact O-CD 3.23Å; H246-R273 WeakPolarHBondContact O-CD 3.25Å; H246-R273 WeakPolarHBondContact O-CG 3.44Å; H246-S289 PolarHBondContact CD2-OG 3.33Å; H246-S289 PolarHBondContact NE2-OG 3.03Å
247L86.8Confident87.8Confident8 Ų821.8 Ų21.84%0.04212%0.119CC..  trans-74.9151.6176.2-66.4170.1000111.6L57 L71 K74 T245 Q249 P251 F269L57-L247 HydrophobicContact CD1-CD1 4.17Å; L57-L247 HydrophobicContact CD1-CD2 4.17Å; L57-L247 HydrophobicContact CD2-CD1 4.08Å; L57-L247 HydrophobicContact CD2-CD2 4.48Å; L71-L247 HydrophobicContact CD1-CD2 3.62Å; K74-L247 HydrophobicContact CB-CD2 4.31Å; T245-L247 VanDerWaalsContact C-N 3.32Å; T245-L247 HydrophobicContact CG2-CB 3.85Å; T245-L247 HydrophobicContact CG2-CD1 4.29Å; T245-L247 HydrophobicContact CG2-CG 4.27Å; T245-L247 VanDerWaalsContact OG1-CG 3.25Å; T245-L247 WeakPolarHBondContact OG1-CG 3.43Å; T245-L247 PolarHBondContact OG1-N 2.81Å; T245-L247 VanDerWaalsContact OG1-N 3.16Å; L247-Q249 WeakPolarHBondContact CB-O 3.48Å; L247-P251 HydrophobicContact CD1-CG 4.02Å; L247-F269 HydrophobicContact CB-CZ 4.31Å; L247-F269 WeakPolarHBondContact O-CZ 3.46Å
248S83.9Confident89.1Confident86 Ų8617 Ų1760%0.60110%0.098SC*.SBendtrans-79.9-24.9174.957.70000113.4
249Q86.2Confident89.8Confident78 Ų7814 Ų1436%0.3648%0.079SC..SBendtrans-140.9149.5179.8-66.7-174.4-17.800109.5L247L247-Q249 WeakPolarHBondContact CB-O 3.48Å
250P90.5Very high89.7Confident11 Ų1116.8 Ų16.87%0.0719%0.091CC..  trans-63.5145.1174.426-34000111.2A215 I218 F254 F269A215-P250 HydrophobicContact CB-CG 3.47Å; A215-P250 VanDerWaalsContact CB-CG 3.47Å; I218-P250 HydrophobicContact CD1-CB 4.08Å; I218-P250 HydrophobicContact CD1-CG 4.03Å; P250-F254 HydrophobicContact CB-CD1 4.2Å; P250-F269 HydrophobicContact CB-CD2 3.66Å; P250-F269 HydrophobicContact CB-CE2 4Å; P250-F269 HydrophobicContact CB-CG 4.25Å; P250-F269 HydrophobicContact CG-CD2 4.46Å
251P91.1Very high89.5Confident1 Ų116.1 Ų16.11%0.0069%0.088CC..  trans-55.4149171.6-23.932.8000112.8R55 L57 L243 L247 F253 F254 S255R55-P251 WeakPolarHBondContact O-CB 3.18Å; L57-P251 HydrophobicContact CD2-CB 4.19Å; L57-P251 HydrophobicContact CD2-CG 4.18Å; L243-P251 HydrophobicContact CD2-CG 4.22Å; L247-P251 HydrophobicContact CD1-CG 4.02Å; P251-F253 VanDerWaalsContact C-N 3.33Å; P251-F253 HydrophobicContact CB-CD1 3.71Å; P251-F253 HydrophobicContact CB-CE1 3.46Å; P251-F253 VanDerWaalsContact CB-CE1 3.46Å; P251-F253 HydrophobicContact CB-CZ 4.18Å; P251-F253 HydrophobicContact CG-CE1 4.06Å; P251-F253 HydrophobicContact CG-CZ 4.45Å; P251-F253 PolarHBondContact O-N 3.44Å; P251-F254 HydrophobicContact CB-CB 4.39Å; P251-F254 PolarHBondContact O-N 3.16Å; P251-S255 PolarHBondContact O-N 3.06Å; P251-S255 VanDerWaalsContact O-N 3.08Å; P251-S255 PolarHBondContact O-OG 3.37Å; P251-S255 VanDerWaalsContact O-OG 3.11Å
252A89.2Confident89.1Confident1 Ų117.1 Ų17.11%0.0089%0.094CC..Hα-helixtrans-63.1-37.4-178.600000112.7G56 F151 F207 T211 F254 S255 S256G56-A252 WeakPolarHBondContact O-CB 3.41Å; G56-A252 PolarHBondContact O-N 3.4Å; F151-A252 HydrophobicContact CD1-CB 4.21Å; F151-A252 HydrophobicContact CE1-CB 4.09Å; F151-A252 HydrophobicContact CZ-CB 4.35Å; F207-A252 HydrophobicContact CZ-CB 3.9Å; T211-A252 HydrophobicContact CG2-CB 3.53Å; A252-F254 VanDerWaalsContact C-N 3.32Å; A252-F254 PolarHBondContact O-N 3.38Å; A252-S255 PolarHBondContact O-N 2.91Å; A252-S256 WeakPolarHBondContact O-CB 3.47Å; A252-S256 PolarHBondContact O-N 2.81Å
253F89.4Confident88.5Confident1 Ų119.5 Ų19.50%0.00412%0.118CC..Hα-helixtrans-63.6-39.5177.875.4-95.4000111.6R55 F151 P251 S255 S256 L257 Y292 L313R55-F253 HydrophobicContact CB-CE1 4.34Å; R55-F253 VanDerWaalsContact O-CD1 3.23Å; R55-F253 WeakPolarHBondContact O-CD1 3.43Å; F151-F253 HydrophobicContact CD1-CB 3.95Å; F151-F253 HydrophobicContact CE1-CB 4.18Å; P251-F253 VanDerWaalsContact C-N 3.33Å; P251-F253 HydrophobicContact CB-CD1 3.71Å; P251-F253 HydrophobicContact CB-CE1 3.46Å; P251-F253 VanDerWaalsContact CB-CE1 3.46Å; P251-F253 HydrophobicContact CB-CZ 4.18Å; P251-F253 HydrophobicContact CG-CE1 4.06Å; P251-F253 HydrophobicContact CG-CZ 4.45Å; P251-F253 PolarHBondContact O-N 3.44Å; F253-S255 VanDerWaalsContact C-N 3.33Å; F253-S255 PolarHBondContact O-N 3.38Å; F253-S256 PolarHBondContact O-N 2.87Å; F253-L257 HydrophobicContact CD2-CD1 4.13Å; F253-L257 VanDerWaalsContact O-CG 3.27Å; F253-L257 WeakPolarHBondContact O-CG 3.29Å; F253-L257 PolarHBondContact O-N 2.93Å; F253-Y292 HydrophobicContact CE2-CE1 4.36Å; F253-Y292 HydrophobicContact CZ-CE1 4.12Å; F253-Y292 WeakPolarHBondContact CZ-OH 3.46Å; F253-L313 HydrophobicContact CB-CB 3.97Å; F253-L313 HydrophobicContact CB-CD1 3.81Å; F253-L313 HydrophobicContact CB-CG 4.49Å
254F91.7Very high88.1Confident1 Ų121.9 Ų21.90%0.00413%0.128CC..Hα-helixtrans-64.5-41.7177.2-170.9-100.3000110.9I218 M241 L243 P250 P251 A252 L257 S258 F267 Y292I218-F254 HydrophobicContact CD1-CD1 3.73Å; I218-F254 HydrophobicContact CD1-CE1 4.12Å; I218-F254 HydrophobicContact CG2-CE1 4.29Å; M241-F254 HydrophobicContact CG-CE2 3.89Å; M241-F254 HydrophobicContact CG-CZ 4.35Å; L243-F254 HydrophobicContact CB-CE1 4.14Å; L243-F254 HydrophobicContact CB-CE2 3.92Å; L243-F254 HydrophobicContact CB-CZ 3.69Å; L243-F254 HydrophobicContact CD2-CD1 4.23Å; L243-F254 HydrophobicContact CD2-CD2 4.29Å; L243-F254 HydrophobicContact CD2-CE1 4.43Å; L243-F254 HydrophobicContact CD2-CE2 4.48Å; L243-F254 HydrophobicContact CD2-CG 4.15Å; P250-F254 HydrophobicContact CB-CD1 4.2Å; P251-F254 HydrophobicContact CB-CB 4.39Å; P251-F254 PolarHBondContact O-N 3.16Å; A252-F254 VanDerWaalsContact C-N 3.32Å; A252-F254 PolarHBondContact O-N 3.38Å; F254-L257 PolarHBondContact O-N 2.95Å; F254-S258 PolarHBondContact O-N 3.02Å; F254-S258 VanDerWaalsContact O-N 3.1Å; F254-F267 HydrophobicContact CD1-CD1 4.17Å; F254-F267 AromaticContact CD2-CD1 3.91Å; F254-F267 HydrophobicContact CD2-CD1 3.91Å; F254-F267 HydrophobicContact CD2-CE1 4.17Å; F254-F267 HydrophobicContact CE1-CB 3.99Å; F254-F267 AromaticContact CE1-CD1 3.81Å; F254-F267 HydrophobicContact CE1-CD1 3.81Å; F254-F267 HydrophobicContact CE1-CG 4.41Å; F254-F267 AromaticContact CE2-CD1 3.54Å; F254-F267 HydrophobicContact CE2-CD1 3.54Å; F254-F267 HydrophobicContact CE2-CE1 4.01Å; F254-F267 HydrophobicContact CG-CD1 4.22Å; F254-F267 HydrophobicContact CZ-CB 4.08Å; F254-F267 AromaticContact CZ-CD1 3.49Å; F254-F267 HydrophobicContact CZ-CD1 3.49Å; F254-F267 VanDerWaalsContact CZ-CD1 3.49Å; F254-F267 HydrophobicContact CZ-CE1 4.4Å; F254-F267 HydrophobicContact CZ-CG 4.23Å; F254-Y292 HydrophobicContact CD2-CD1 4.5Å; F254-Y292 HydrophobicContact CD2-CE1 4.22Å; F254-Y292 HydrophobicContact CE2-CD1 4.49Å
255S91.1Very high88Confident1 Ų122.3 Ų22.31%0.00713%0.13CC..Hα-helixtrans-64.4-40.4175.1-53.70000112.6P251 A252 F253 S258P251-S255 PolarHBondContact O-N 3.06Å; P251-S255 VanDerWaalsContact O-N 3.08Å; P251-S255 PolarHBondContact O-OG 3.37Å; P251-S255 VanDerWaalsContact O-OG 3.11Å; A252-S255 PolarHBondContact O-N 2.91Å; F253-S255 VanDerWaalsContact C-N 3.33Å; F253-S255 PolarHBondContact O-N 3.38Å; S255-S258 WeakPolarHBondContact O-CB 3.45Å; S255-S258 PolarHBondContact O-N 3.25Å; S255-S258 PolarHBondContact O-OG 3.25Å
256S90.9Very high87.9Confident12 Ų1225.1 Ų25.18%0.08414%0.143CC..Hα-helixtrans-64.8-45.3175.6-175.50000112.2F151 A252 F253 S258 V259 K260F151-S256 WeakPolarHBondContact O-CB 3.27Å; F151-S256 PolarHBondContact O-OG 2.92Å; A252-S256 WeakPolarHBondContact O-CB 3.47Å; A252-S256 PolarHBondContact O-N 2.81Å; F253-S256 PolarHBondContact O-N 2.87Å; S256-S258 VanDerWaalsContact C-N 3.25Å; S256-S258 PolarHBondContact O-N 3.03Å; S256-V259 WeakPolarHBondContact O-CB 3.41Å; S256-V259 PolarHBondContact O-N 3.15Å; S256-K260 PolarHBondContact O-N 2.93Å
257L90.4Very high88.1Confident3 Ų322.6 Ų22.62%0.01613%0.131CC..Hα-helixtrans-59.8-36.6176.8-70.2169.2000112F253 F254 V259 K260 F261 F267 L313 M316 D317F253-L257 HydrophobicContact CD2-CD1 4.13Å; F253-L257 VanDerWaalsContact O-CG 3.27Å; F253-L257 WeakPolarHBondContact O-CG 3.29Å; F253-L257 PolarHBondContact O-N 2.93Å; F254-L257 PolarHBondContact O-N 2.95Å; L257-V259 PolarHBondContact O-N 2.92Å; L257-V259 VanDerWaalsContact O-N 3.16Å; L257-K260 PolarHBondContact O-N 3.37Å; L257-F261 HydrophobicContact CD2-CD2 4.47Å; L257-F261 HydrophobicContact CD2-CE2 4.02Å; L257-F261 WeakPolarHBondContact O-CD2 3.28Å; L257-F261 PolarHBondContact O-N 2.63Å; L257-F267 HydrophobicContact CB-CE1 3.76Å; L257-F267 HydrophobicContact CB-CZ 3.8Å; L257-L313 HydrophobicContact CD2-CD1 4.48Å; L257-L313 HydrophobicContact CD2-CG 4.5Å; L257-L313 HydrophobicContact CG-CD1 4.26Å; L257-M316 HydrophobicContact CD1-CB 3.9Å; L257-M316 HydrophobicContact CD1-CG 3.55Å; L257-D317 HydrophobicContact CD2-CB 3.98Å
258S89.6Confident88.4Confident9 Ų922.2 Ų22.26%0.06313%0.129CC..Hα-helixtrans-59.7-26.1175.384.60000113.9R217 F254 S255 S256 T262R217-S258 PolarHBondContact NH1-O 3.02Å; F254-S258 PolarHBondContact O-N 3.02Å; F254-S258 VanDerWaalsContact O-N 3.1Å; S255-S258 WeakPolarHBondContact O-CB 3.45Å; S255-S258 PolarHBondContact O-N 3.25Å; S255-S258 PolarHBondContact O-OG 3.25Å; S256-S258 VanDerWaalsContact C-N 3.25Å; S256-S258 PolarHBondContact O-N 3.03Å; S258-T262 WeakPolarHBondContact O-CG2 3.08Å
259V87.4Confident88.8Confident2 Ų218.3 Ų18.31%0.01210%0.101CC..Hα-helixtrans-81.3-34.1175.9174.30000111.6I122 P182 L214 R217 S256 L257 T262I122-V259 HydrophobicContact CD1-CB 3.94Å; I122-V259 HydrophobicContact CD1-CG1 4.29Å; I122-V259 HydrophobicContact CD1-CG2 3.8Å; I122-V259 HydrophobicContact CG1-CB 3.9Å; I122-V259 HydrophobicContact CG1-CG1 3.67Å; I122-V259 HydrophobicContact CG1-CG2 3.87Å; P182-V259 HydrophobicContact CG-CG1 3.61Å; P182-V259 HydrophobicContact CG-CG2 4.44Å; L214-V259 HydrophobicContact CD2-CG2 4.33Å; R217-V259 VanDerWaalsContact NH1-CA 3.32Å; S256-V259 WeakPolarHBondContact O-CB 3.41Å; S256-V259 PolarHBondContact O-N 3.15Å; L257-V259 PolarHBondContact O-N 2.92Å; L257-V259 VanDerWaalsContact O-N 3.16Å; V259-T262 WeakPolarHBondContact O-CG2 3.25Å; V259-T262 PolarHBondContact O-OG1 2.89Å
260K86.6Confident89.1Confident60 Ų6014.6 Ų14.626%0.2618%0.084SC..Hα-helixtrans-75-34.5179.9-170.9172.7-178.1177.50113.9S256 L257 R264 D317S256-K260 PolarHBondContact O-N 2.93Å; L257-K260 PolarHBondContact O-N 3.37Å; K260-R264 PolarHBondContact O-NH2 3.24Å; K260-D317 VanDerWaalsContact CD-OD1 3.28Å; K260-D317 WeakPolarHBondContact CD-OD1 3.41Å; K260-D317 WeakPolarHBondContact CE-OD1 3.33Å; K260-D317 IonicContact NZ-OD1 2.65Å; K260-D317 PolarHBondContact NZ-OD1 3.44Å; K260-D317 IonicContact NZ-OD2 3.9Å; K260-D317 PolarHBondContact NZ-OD2 2.99Å
261F87.1Confident89Confident0 Ų014.3 Ų14.30%08%0.082CC..THydrogen-bonded Turntrans-100.125.4-177.1-70.8-87000113.3L257 G263 R264 I265 F267 D317 L320 R321L257-F261 HydrophobicContact CD2-CD2 4.47Å; L257-F261 HydrophobicContact CD2-CE2 4.02Å; L257-F261 WeakPolarHBondContact O-CD2 3.28Å; L257-F261 PolarHBondContact O-N 2.63Å; F261-G263 PolarHBondContact O-N 2.95Å; F261-R264 VanDerWaalsContact CD1-CZ 3.43Å; F261-R264 PolarHBondContact O-N 2.87Å; F261-I265 HydrophobicContact CB-CB 4.08Å; F261-I265 HydrophobicContact CB-CD1 4.4Å; F261-I265 HydrophobicContact CB-CG1 4.32Å; F261-I265 HydrophobicContact CD1-CD1 3.78Å; F261-I265 HydrophobicContact CD1-CG1 4.31Å; F261-I265 HydrophobicContact CE1-CD1 4.33Å; F261-I265 HydrophobicContact CG-CD1 4.2Å; F261-I265 PolarHBondContact O-N 3.49Å; F261-F267 HydrophobicContact CB-CE2 3.9Å; F261-F267 HydrophobicContact CB-CZ 4.47Å; F261-F267 HydrophobicContact CD2-CZ 4.44Å; F261-D317 WeakPolarHBondContact CE2-OD1 3.3Å; F261-L320 HydrophobicContact CD1-CB 4.37Å; F261-L320 HydrophobicContact CD2-CD1 4.13Å; F261-L320 HydrophobicContact CE1-CB 3.68Å; F261-L320 HydrophobicContact CE2-CB 3.86Å; F261-L320 HydrophobicContact CE2-CD1 3.96Å; F261-L320 HydrophobicContact CZ-CB 3.38Å; F261-L320 HydrophobicContact CZ-CD1 4.35Å; F261-R321 HydrophobicContact CE1-CG 4.32Å; F261-R321 HydrophobicContact CZ-CG 3.91Å
262T84.2Confident88.8Confident22 Ų2214.8 Ų14.814%0.1359%0.085CC..THydrogen-bonded Turntrans-61134.9-176.856.30000111.9S258 V259 R264S258-T262 WeakPolarHBondContact O-CG2 3.08Å; V259-T262 WeakPolarHBondContact O-CG2 3.25Å; V259-T262 PolarHBondContact O-OG1 2.89Å; T262-R264 PolarHBondContact O-N 2.89Å
263G79.7Confident88.6Confident50 Ų5020 Ų2052%0.51510%0.104SC..THydrogen-bonded Turntrans72.1-2.8-175.400000115.5S185 F261S185-G263 PolarHBondContact O-N 3.39Å; F261-G263 PolarHBondContact O-N 2.95Å
264R84.6Confident88.2Confident51 Ų5127 Ų2719%0.19214%0.136CC..THydrogen-bonded Turntrans-112.7-44.7178.1-64.7-176.7-69.3156-12.6113K260 F261 T262 Q324 E326K260-R264 PolarHBondContact O-NH2 3.24Å; F261-R264 VanDerWaalsContact CD1-CZ 3.43Å; F261-R264 PolarHBondContact O-N 2.87Å; T262-R264 PolarHBondContact O-N 2.89Å; R264-Q324 HydrophobicContact CB-CG 4.44Å; R264-Q324 PolarHBondContact NH1-O 3.41Å; R264-E326 IonicContact CZ-OE1 3.27Å; R264-E326 IonicContact NE-OE1 2.91Å; R264-E326 IonicContact NH1-OE1 3.84Å; R264-E326 PolarHBondContact NH1-OE1 2.87Å; R264-E326 IonicContact NH2-OE1 3.82Å; R264-E326 PolarHBondContact NH2-OE1 2.85Å
265I88.8Confident87.7Confident8 Ų828.5 Ų28.54%0.04114%0.142CC..  trans-131.7126.5-179.1-54.1179.8000107.7I239 M241 F261 F267 L320 Q324I239-I265 HydrophobicContact CB-CG1 4.43Å; I239-I265 HydrophobicContact CG2-CG1 4.17Å; I239-I265 HydrophobicContact CG2-CG2 4.07Å; M241-I265 HydrophobicContact CB-CG2 3.97Å; F261-I265 HydrophobicContact CB-CB 4.08Å; F261-I265 HydrophobicContact CB-CD1 4.4Å; F261-I265 HydrophobicContact CB-CG1 4.32Å; F261-I265 HydrophobicContact CD1-CD1 3.78Å; F261-I265 HydrophobicContact CD1-CG1 4.31Å; F261-I265 HydrophobicContact CE1-CD1 4.33Å; F261-I265 HydrophobicContact CG-CD1 4.2Å; F261-I265 PolarHBondContact O-N 3.49Å; I265-F267 HydrophobicContact CB-CE2 3.98Å; I265-F267 HydrophobicContact CG2-CD2 4.23Å; I265-F267 HydrophobicContact CG2-CE2 3.82Å; I265-F267 HydrophobicContact CG2-CZ 4.44Å; I265-F267 WeakPolarHBondContact O-CD2 3.46Å; I265-L320 HydrophobicContact CD1-CB 4.15Å; I265-L320 HydrophobicContact CD1-CD2 3.9Å; I265-L320 HydrophobicContact CD1-CG 4.4Å; I265-Q324 HydrophobicContact CD1-CB 4.48Å
266E89.1Confident86.4Confident59 Ų5935.8 Ų35.828%0.27618%0.181SC..EExtended strand (participates in β ladder)trans-88.1128.2174.3-171.4173.3-16800110.2I239 K240 M241 I268I239-E266 PolarHBondContact O-N 3.43Å; K240-E266 CarbonylContact C-O 3.5Å; K240-E266 WeakPolarHBondContact CA-O 3.29Å; K240-E266 HydrophobicContact CG-CB 4.31Å; M241-E266 PolarHBondContact N-O 3.36Å; E266-I268 HydrophobicContact CG-CG1 4.26Å
267F91.9Very high85.4Confident11 Ų1139.8 Ų39.85%0.04820%0.202CC..EExtended strand (participates in β ladder)trans-99.2128179-74.2-112.6000109I218 M241 F254 L257 F261 I265 L320I218-F267 HydrophobicContact CG1-CB 4.46Å; M241-F267 HydrophobicContact CB-CD1 4.36Å; M241-F267 HydrophobicContact CB-CE1 4.45Å; M241-F267 HydrophobicContact CG-CD1 4.38Å; M241-F267 HydrophobicContact CG-CE1 4.29Å; F254-F267 HydrophobicContact CD1-CD1 4.17Å; F254-F267 AromaticContact CD2-CD1 3.91Å; F254-F267 HydrophobicContact CD2-CD1 3.91Å; F254-F267 HydrophobicContact CD2-CE1 4.17Å; F254-F267 HydrophobicContact CE1-CB 3.99Å; F254-F267 AromaticContact CE1-CD1 3.81Å; F254-F267 HydrophobicContact CE1-CD1 3.81Å; F254-F267 HydrophobicContact CE1-CG 4.41Å; F254-F267 AromaticContact CE2-CD1 3.54Å; F254-F267 HydrophobicContact CE2-CD1 3.54Å; F254-F267 HydrophobicContact CE2-CE1 4.01Å; F254-F267 HydrophobicContact CG-CD1 4.22Å; F254-F267 HydrophobicContact CZ-CB 4.08Å; F254-F267 AromaticContact CZ-CD1 3.49Å; F254-F267 HydrophobicContact CZ-CD1 3.49Å; F254-F267 VanDerWaalsContact CZ-CD1 3.49Å; F254-F267 HydrophobicContact CZ-CE1 4.4Å; F254-F267 HydrophobicContact CZ-CG 4.23Å; L257-F267 HydrophobicContact CB-CE1 3.76Å; L257-F267 HydrophobicContact CB-CZ 3.8Å; F261-F267 HydrophobicContact CB-CE2 3.9Å; F261-F267 HydrophobicContact CB-CZ 4.47Å; F261-F267 HydrophobicContact CD2-CZ 4.44Å; I265-F267 HydrophobicContact CB-CE2 3.98Å; I265-F267 HydrophobicContact CG2-CD2 4.23Å; I265-F267 HydrophobicContact CG2-CE2 3.82Å; I265-F267 HydrophobicContact CG2-CZ 4.44Å; I265-F267 WeakPolarHBondContact O-CD2 3.46Å; F267-L320 HydrophobicContact CE1-CD1 4.38Å; F267-L320 HydrophobicContact CZ-CD1 3.77Å
268I92.3Very high84.4Confident0 Ų049.1 Ų49.10%024%0.236CC..EExtended strand (participates in β ladder)trans-127.9127.9-177.8-59.4167.4000108.5V221 E230 K240 M241 F242 L243 E266 V270V221-I268 HydrophobicContact CG2-CG2 3.77Å; E230-I268 HydrophobicContact CG-CD1 3.63Å; K240-I268 HydrophobicContact CB-CD1 4.26Å; K240-I268 HydrophobicContact CD-CD1 3.98Å; K240-I268 HydrophobicContact CG-CD1 4.45Å; M241-I268 PolarHBondContact O-N 3.36Å; F242-I268 WeakPolarHBondContact CA-O 3.33Å; F242-I268 HydrophobicContact CD1-CB 3.83Å; F242-I268 HydrophobicContact CD1-CD1 4.14Å; F242-I268 HydrophobicContact CD1-CG2 3.81Å; F242-I268 HydrophobicContact CE1-CB 4Å; F242-I268 HydrophobicContact CE1-CD1 3.47Å; F242-I268 VanDerWaalsContact CE1-CD1 3.47Å; F242-I268 HydrophobicContact CE1-CG1 4.33Å; F242-I268 HydrophobicContact CE1-CG2 3.89Å; F242-I268 HydrophobicContact CE2-CD1 4.4Å; F242-I268 HydrophobicContact CZ-CD1 3.62Å; L243-I268 PolarHBondContact N-O 3.27Å; E266-I268 HydrophobicContact CG-CG1 4.26Å; I268-V270 HydrophobicContact CG2-CG2 4.18Å
269F93.4Very high83.6Confident3 Ų351.9 Ų51.91%0.01326%0.256CS..EExtended strand (participates in β ladder)trans-102.8125.9176.5178.6-95.3000109.6I218 K219 T220 V221 L243 T245 L247 P250 D271I218-F269 HydrophobicContact CG2-CB 3.74Å; K219-F269 PolarHBondContact O-N 3.19Å; T220-F269 CarbonylContact C-O 3.56Å; T220-F269 VanDerWaalsContact CA-O 3.27Å; T220-F269 WeakPolarHBondContact CA-O 3.44Å; T220-F269 HydrophobicContact CG2-CB 4.18Å; T220-F269 HydrophobicContact CG2-CD1 3.83Å; T220-F269 HydrophobicContact CG2-CG 4.4Å; V221-F269 PolarHBondContact N-O 3.31Å; L243-F269 HydrophobicContact CD2-CD2 3.95Å; L243-F269 HydrophobicContact CD2-CE2 4.16Å; L243-F269 HydrophobicContact CG-CD2 4.17Å; L243-F269 HydrophobicContact CG-CE2 4.45Å; T245-F269 HydrophobicContact CG2-CD2 4.1Å; T245-F269 HydrophobicContact CG2-CE2 3.2Å; T245-F269 HydrophobicContact CG2-CZ 3.52Å; L247-F269 HydrophobicContact CB-CZ 4.31Å; L247-F269 WeakPolarHBondContact O-CZ 3.46Å; P250-F269 HydrophobicContact CB-CD2 3.66Å; P250-F269 HydrophobicContact CB-CE2 4Å; P250-F269 HydrophobicContact CB-CG 4.25Å; P250-F269 HydrophobicContact CG-CD2 4.46Å; F269-D271 HydrophobicContact CE1-CB 4.11Å
270V91.6Very high83.1Confident0 Ų052.7 Ų52.70%026%0.261CS..EExtended strand (participates in β ladder)trans-115.5113.7-177.3-173.30000108.7V221 L227 F242 L243 F244 T245 I268 V272 W275V221-V270 HydrophobicContact CB-CG2 4.39Å; L227-V270 HydrophobicContact CD1-CG2 3.96Å; F242-V270 HydrophobicContact CD1-CG2 4.05Å; L243-V270 PolarHBondContact O-N 2.95Å; F244-V270 HydrophobicContact CD1-CB 3.77Å; F244-V270 HydrophobicContact CD1-CG1 3.67Å; F244-V270 HydrophobicContact CD1-CG2 4.14Å; F244-V270 HydrophobicContact CE1-CB 4.07Å; F244-V270 HydrophobicContact CE1-CG1 3.85Å; F244-V270 HydrophobicContact CE1-CG2 3.98Å; F244-V270 HydrophobicContact CG-CB 4.31Å; F244-V270 HydrophobicContact CZ-CG2 4.35Å; T245-V270 PolarHBondContact N-O 3.31Å; T245-V270 VanDerWaalsContact N-O 3.1Å; I268-V270 HydrophobicContact CG2-CG2 4.18Å; V270-V272 HydrophobicContact CG1-CG2 4.22Å; V270-W275 HydrophobicContact CG1-CH2 3.08Å; V270-W275 HydrophobicContact CG1-CZ2 3.47Å; V270-W275 VanDerWaalsContact CG1-CZ2 3.47Å; V270-W275 HydrophobicContact CG1-CZ3 3.79Å
271D90.1Very high82.7Confident6 Ų650.6 Ų50.63%0.03225%0.252CS..EExtended strand (participates in β ladder)trans-88.6107.8179.3-178.51.4000110.1V221 H222 F269 R273 W275V221-D271 PolarHBondContact O-N 2.87Å; H222-D271 IonicContact CE1-OD2 2.64Å; H222-D271 IonicContact ND1-OD2 3.26Å; F269-D271 HydrophobicContact CE1-CB 4.11Å; D271-R273 WeakPolarHBondContact OD1-CB 3.43Å; D271-R273 VanDerWaalsContact OD1-CG 3.26Å; D271-R273 WeakPolarHBondContact OD1-CG 3.28Å; D271-R273 IonicContact OD1-CZ 2.78Å; D271-R273 PolarHBondContact OD1-N 3.35Å; D271-R273 VanDerWaalsContact OD1-N 3.12Å; D271-R273 IonicContact OD1-NE 3.7Å; D271-R273 PolarHBondContact OD1-NE 3.31Å; D271-R273 IonicContact OD1-NH2 3.65Å; D271-R273 IonicContact OD2-CZ 3.58Å; D271-R273 IonicContact OD2-NE 3.33Å; D271-R273 PolarHBondContact OD2-NE 3.06Å; D271-R273 IonicContact OD2-NH2 3.51Å; D271-R273 PolarHBondContact OD2-NH2 3.28Å; D271-W275 PolarHBondContact O-NE1 3.03Å
272V86.6Confident82.3Confident11 Ų1155.7 Ų55.77%0.06728%0.279CS..  trans-95.22.9-173.9-167.20000112F244 T245 V270 H274 W275 L281F244-V272 HydrophobicContact CB-CG2 4.11Å; F244-V272 HydrophobicContact CD1-CG2 4.24Å; T245-V272 PolarHBondContact O-N 3.38Å; V270-V272 HydrophobicContact CG1-CG2 4.22Å; V272-H274 VanDerWaalsContact C-N 3.26Å; V272-H274 PolarHBondContact O-N 2.98Å; V272-W275 HydrophobicContact CG1-CB 4.03Å; V272-W275 HydrophobicContact CG1-CD2 4.28Å; V272-W275 HydrophobicContact CG1-CE3 4.19Å; V272-W275 HydrophobicContact CG1-CG 4.25Å; V272-W275 HydrophobicContact CG2-CE3 4.42Å; V272-W275 PolarHBondContact O-N 3.23Å; V272-L281 HydrophobicContact CG1-CD1 3.63Å
273R84Confident81.9Confident111 Ų11161 Ų6142%0.41931%0.307SS..THydrogen-bonded Turntrans-58-33.4-175.2-72-179.7-71.8169.73.1114.7H246 D271H246-R273 HydrophobicContact CB-CG 4.01Å; H246-R273 VanDerWaalsContact O-CD 3.23Å; H246-R273 WeakPolarHBondContact O-CD 3.25Å; H246-R273 WeakPolarHBondContact O-CG 3.44Å; D271-R273 WeakPolarHBondContact OD1-CB 3.43Å; D271-R273 VanDerWaalsContact OD1-CG 3.26Å; D271-R273 WeakPolarHBondContact OD1-CG 3.28Å; D271-R273 IonicContact OD1-CZ 2.78Å; D271-R273 PolarHBondContact OD1-N 3.35Å; D271-R273 VanDerWaalsContact OD1-N 3.12Å; D271-R273 IonicContact OD1-NE 3.7Å; D271-R273 PolarHBondContact OD1-NE 3.31Å; D271-R273 IonicContact OD1-NH2 3.65Å; D271-R273 IonicContact OD2-CZ 3.58Å; D271-R273 IonicContact OD2-NE 3.33Å; D271-R273 PolarHBondContact OD2-NE 3.06Å; D271-R273 IonicContact OD2-NH2 3.51Å; D271-R273 PolarHBondContact OD2-NH2 3.28Å
274H81.5Confident81.9Confident147 Ų14759.2 Ų59.268%0.68129%0.285SS*.THydrogen-bonded Turntrans-115.827.1-173.3-54.397.5000112.1V272V272-H274 VanDerWaalsContact C-N 3.26Å; V272-H274 PolarHBondContact O-N 2.98Å
275W79.9Confident81.4Confident32 Ų3258.3 Ų58.312%0.12129%0.291CS..  trans-99.8105.2-174.3-73.219.3000110.9V221 H222 L227 V270 D271 V272 L281V221-W275 HydrophobicContact CG1-CZ2 4.43Å; H222-W275 PolarHBondContact O-NE1 3.06Å; L227-W275 HydrophobicContact CB-CH2 4.01Å; L227-W275 HydrophobicContact CD2-CH2 3.57Å; L227-W275 HydrophobicContact CD2-CZ3 3.6Å; L227-W275 HydrophobicContact CG-CH2 4.3Å; V270-W275 HydrophobicContact CG1-CH2 3.08Å; V270-W275 HydrophobicContact CG1-CZ2 3.47Å; V270-W275 VanDerWaalsContact CG1-CZ2 3.47Å; V270-W275 HydrophobicContact CG1-CZ3 3.79Å; D271-W275 PolarHBondContact O-NE1 3.03Å; V272-W275 HydrophobicContact CG1-CB 4.03Å; V272-W275 HydrophobicContact CG1-CD2 4.28Å; V272-W275 HydrophobicContact CG1-CE3 4.19Å; V272-W275 HydrophobicContact CG1-CG 4.25Å; V272-W275 HydrophobicContact CG2-CE3 4.42Å; V272-W275 PolarHBondContact O-N 3.23Å; W275-L281 HydrophobicContact CE3-CD1 4.13Å; W275-L281 HydrophobicContact CE3-CD2 3.74Å; W275-L281 HydrophobicContact CE3-CG 4Å; W275-L281 HydrophobicContact CZ3-CD2 3.63Å; W275-L281 HydrophobicContact CZ3-CG 4.3Å
276D65.7Low80.9Confident155 Ų15558.4 Ų58.483%0.82929%0.293SS*.  trans-80.9-23.3-179.1-58.8-35.9000112.5R278D276-R278 PolarHBondContact O-N 3.14Å
277N68.1Low80.1Confident96 Ų9661.3 Ų61.351%0.51331%0.314SS..  trans-9087.2-178.1-74-17.7000112.2S279 T280N277-S279 PolarHBondContact O-N 2.96Å; N277-T280 PolarHBondContact O-OG1 3Å; N277-T280 VanDerWaalsContact O-OG1 3.08Å
278R69.9Low79.3Confident198 Ų19866.6 Ų66.675%0.74734%0.339SS*.Hα-helixtrans-64.6-22.1172.6-71.1-175.5177.6-179.3-1.7113.8D276 T280 L281 L282D276-R278 PolarHBondContact O-N 3.14Å; R278-T280 PolarHBondContact O-N 3.23Å; R278-L281 PolarHBondContact O-N 2.8Å; R278-L282 WeakPolarHBondContact O-CG 3.49Å; R278-L282 PolarHBondContact O-N 3.47Å
279S74.1Confident78.7Confident67 Ų6769 Ų6947%0.46936%0.356SS..Hα-helixtrans-59.3-4718048.50000112.5N277 L281 L282 D283N277-S279 PolarHBondContact O-N 2.96Å; S279-L281 PolarHBondContact O-N 2.92Å; S279-L282 PolarHBondContact O-N 3.32Å; S279-L282 VanDerWaalsContact O-N 3.14Å; S279-D283 VanDerWaalsContact O-CG 3.24Å; S279-D283 PolarHBondContact O-N 2.88Å
280T75.1Confident78.3Confident20 Ų2070 Ų7012%0.12336%0.362CS..Hα-helixtrans-65.7-28.118050.50000113.1L228 N277 R278 I284L228-T280 HydrophobicContact CD1-CG2 4.25Å; N277-T280 PolarHBondContact O-OG1 3Å; N277-T280 VanDerWaalsContact O-OG1 3.08Å; R278-T280 PolarHBondContact O-N 3.23Å; T280-I284 WeakPolarHBondContact O-CD1 3.46Å; T280-I284 WeakPolarHBondContact O-CG1 3.41Å
281L79.9Confident78.1Confident15 Ų1570.8 Ų70.88%0.07937%0.368CS..Hα-helixtrans-74.4-41175-71.4170.2000111F244 V272 W275 R278 S279 D283 I284 G285 V286F244-L281 HydrophobicContact CD1-CD2 3.94Å; F244-L281 HydrophobicContact CE1-CD2 4.12Å; V272-L281 HydrophobicContact CG1-CD1 3.63Å; W275-L281 HydrophobicContact CE3-CD1 4.13Å; W275-L281 HydrophobicContact CE3-CD2 3.74Å; W275-L281 HydrophobicContact CE3-CG 4Å; W275-L281 HydrophobicContact CZ3-CD2 3.63Å; W275-L281 HydrophobicContact CZ3-CG 4.3Å; R278-L281 PolarHBondContact O-N 2.8Å; S279-L281 PolarHBondContact O-N 2.92Å; L281-D283 VanDerWaalsContact C-N 3.35Å; L281-I284 PolarHBondContact O-N 3.39Å; L281-G285 PolarHBondContact O-N 3.44Å; L281-V286 HydrophobicContact CB-CB 4.23Å; L281-V286 HydrophobicContact CD2-CB 4.35Å; L281-V286 HydrophobicContact CD2-CG1 4.44Å; L281-V286 WeakPolarHBondContact O-CB 3.39Å; L281-V286 PolarHBondContact O-N 3.48Å
282L77.4Confident78.2Confident108 Ų10870.9 Ų70.957%0.56537%0.368SS*.Hα-helixtrans-64.6-38.6175.7-70.3170.2000111.9R278 S279 I284 G285R278-L282 WeakPolarHBondContact O-CG 3.49Å; R278-L282 PolarHBondContact O-N 3.47Å; S279-L282 PolarHBondContact O-N 3.32Å; S279-L282 VanDerWaalsContact O-N 3.14Å; L282-I284 PolarHBondContact O-N 3.26Å; L282-G285 PolarHBondContact O-N 2.93Å
283D76.4Confident78.4Confident133 Ų13370.3 Ų70.371%0.71137%0.365SS*.Hα-helixtrans-61.5-29.7176-66.5-22.6000112.4S279 L281 G285S279-D283 VanDerWaalsContact O-CG 3.24Å; S279-D283 PolarHBondContact O-N 2.88Å; L281-D283 VanDerWaalsContact C-N 3.35Å; D283-G285 VanDerWaalsContact C-N 3.34Å
284I78.6Confident78.8Confident13 Ų1365 Ų657%0.06735%0.345CS..THydrogen-bonded Turntrans-86.2-9.9177.1-65.7170.5000111.5L227 W231 F244 T280 L281 L282 V286L227-I284 HydrophobicContact CD2-CD1 3.45Å; L227-I284 VanDerWaalsContact CD2-CD1 3.45Å; L227-I284 HydrophobicContact CG-CD1 4.05Å; W231-I284 HydrophobicContact CD2-CG1 4.47Å; W231-I284 HydrophobicContact CD2-CG2 4.4Å; W231-I284 HydrophobicContact CE3-CG2 4.12Å; W231-I284 HydrophobicContact CH2-CG2 3.6Å; W231-I284 HydrophobicContact CZ2-CG2 3.88Å; W231-I284 HydrophobicContact CZ3-CG2 3.72Å; F244-I284 HydrophobicContact CZ-CG2 4.15Å; T280-I284 WeakPolarHBondContact O-CD1 3.46Å; T280-I284 WeakPolarHBondContact O-CG1 3.41Å; L281-I284 PolarHBondContact O-N 3.39Å; L282-I284 PolarHBondContact O-N 3.26Å; I284-V286 HydrophobicContact CG2-CG2 4.16Å
285G74.7Confident79.2Confident31 Ų3160.2 Ų60.232%0.3232%0.322SS..THydrogen-bonded Turntrans86.717.3-177.800000114.2L281 L282 D283 T287 H302L281-G285 PolarHBondContact O-N 3.44Å; L282-G285 PolarHBondContact O-N 2.93Å; D283-G285 VanDerWaalsContact C-N 3.34Å; G285-T287 PolarHBondContact O-N 3.39Å; G285-H302 PolarHBondContact O-CE1 3.47Å; G285-H302 VanDerWaalsContact O-CE1 3.24Å
286V79.4Confident79.6Confident11 Ų1159.3 Ų59.37%0.06732%0.319CS..  trans-86.2101175.6-178.60000109.2F244 L281 I284 S291 I293F244-V286 HydrophobicContact CB-CG1 4.45Å; F244-V286 HydrophobicContact CD1-CG2 4.18Å; F244-V286 HydrophobicContact CD2-CG2 3.89Å; F244-V286 HydrophobicContact CE1-CG2 4.22Å; F244-V286 HydrophobicContact CE2-CG2 3.94Å; F244-V286 HydrophobicContact CG-CG2 4.01Å; F244-V286 HydrophobicContact CZ-CG2 4.11Å; L281-V286 HydrophobicContact CB-CB 4.23Å; L281-V286 HydrophobicContact CD2-CB 4.35Å; L281-V286 HydrophobicContact CD2-CG1 4.44Å; L281-V286 WeakPolarHBondContact O-CB 3.39Å; L281-V286 PolarHBondContact O-N 3.48Å; I284-V286 HydrophobicContact CG2-CG2 4.16Å; V286-S291 WeakPolarHBondContact CG1-OG 3.21Å; V286-I293 HydrophobicContact CG2-CD1 3.51Å
287T70.5Confident80.4Confident119 Ų11956 Ų5673%0.7331%0.306SS*.  trans-93.8-29.6177.153.90000113G285G285-T287 PolarHBondContact O-N 3.39Å
288Q76.2Confident81Confident123 Ų12355.1 Ų55.158%0.57530%0.299SS*.SBendtrans-135.5144.9-178.7-64-179.9-2.700110E77 S291E77-Q288 PolarHBondContact OE1-OE1 2.86Å; Q288-S291 WeakPolarHBondContact O-CB 3.26Å
289S78.6Confident81.7Confident49 Ų4947.2 Ų47.234%0.34328%0.279SS..SBendtrans-119.6130.6176.251.20000109.5H246H246-S289 PolarHBondContact CD2-OG 3.33Å; H246-S289 PolarHBondContact NE2-OG 3.03Å
290P86.6Confident82.3Confident24 Ų2447.1 Ų47.116%0.15628%0.276CS..SBendcis-86.9145.411.134.1-35.4000114.4K74 S75 G76 L243 F244K74-P290 WeakPolarHBondContact O-CG 3.45Å; S75-P290 WeakPolarHBondContact O-CG 3.4Å; G76-P290 VanDerWaalsContact N-CG 3.28Å; L243-P290 HydrophobicContact CD1-CB 4.44Å; F244-P290 CarbonylContact O-C 3.59Å; F244-P290 WeakPolarHBondContact O-CA 2.87Å; F244-P290 WeakPolarHBondContact O-CB 3.48Å
291S87.1Confident83Confident17 Ų1747.1 Ų47.112%0.11927%0.273CS..EExtended strand (participates in β ladder)trans-127.1131.4176.164.60000111.1F244 V286 Q288F244-S291 WeakPolarHBondContact CB-OG 3.48Å; F244-S291 WeakPolarHBondContact CD2-OG 3.38Å; F244-S291 PolarHBondContact N-O 3.4Å; F244-S291 PolarHBondContact O-N 3.44Å; V286-S291 WeakPolarHBondContact CG1-OG 3.21Å; Q288-S291 WeakPolarHBondContact O-CB 3.26Å
292Y91.2Very high83.5Confident8 Ų849.4 Ų49.43%0.03128%0.284CS..EExtended strand (participates in β ladder)trans-96.6113.7174.1-67.2-95.2000108.4M241 L243 F253 F254 Y303 L311 M316M241-Y292 HydrophobicContact CE-CD1 4.03Å; M241-Y292 HydrophobicContact CE-CG 4.37Å; L243-Y292 HydrophobicContact CD1-CD1 3.86Å; L243-Y292 HydrophobicContact CD1-CD2 4.29Å; L243-Y292 HydrophobicContact CD1-CE1 3.51Å; L243-Y292 HydrophobicContact CD1-CE2 3.94Å; L243-Y292 HydrophobicContact CD1-CG 4.24Å; L243-Y292 HydrophobicContact CD2-CE1 4Å; L243-Y292 HydrophobicContact CG-CE1 4.22Å; F253-Y292 HydrophobicContact CE2-CE1 4.36Å; F253-Y292 HydrophobicContact CZ-CE1 4.12Å; F253-Y292 WeakPolarHBondContact CZ-OH 3.46Å; F254-Y292 HydrophobicContact CD2-CD1 4.5Å; F254-Y292 HydrophobicContact CD2-CE1 4.22Å; F254-Y292 HydrophobicContact CE2-CD1 4.49Å; Y292-Y303 PolarHBondContact O-N 2.71Å; Y292-L311 HydrophobicContact CD2-CD2 3.6Å; Y292-L311 HydrophobicContact CE2-CD1 4.15Å; Y292-L311 HydrophobicContact CE2-CD2 3.35Å; Y292-L311 HydrophobicContact CE2-CG 4.39Å; Y292-L311 HydrophobicContact CG-CD2 4.4Å; Y292-M316 HydrophobicContact CD1-CE 3.92Å; Y292-M316 HydrophobicContact CE1-CE 4.45Å; Y292-M316 HydrophobicContact CG-CE 4.27Å
293I91.7Very high84Confident0 Ų044.8 Ų44.80%026%0.259CS..EExtended strand (participates in β ladder)trans-120.1120.5-174.9-62.3-173000109.6W231 F242 F244 V286 V300 H302W231-I293 HydrophobicContact CH2-CG2 4.2Å; W231-I293 HydrophobicContact CZ3-CG2 4.37Å; F242-I293 HydrophobicContact CB-CB 4.4Å; F242-I293 PolarHBondContact N-O 3.26Å; F242-I293 PolarHBondContact O-N 2.97Å; F244-I293 HydrophobicContact CD2-CD1 4.05Å; F244-I293 HydrophobicContact CD2-CG1 4.27Å; F244-I293 HydrophobicContact CE2-CB 4.2Å; F244-I293 HydrophobicContact CE2-CD1 3.76Å; F244-I293 HydrophobicContact CE2-CG1 4.16Å; V286-I293 HydrophobicContact CG2-CD1 3.51Å; I293-V300 HydrophobicContact CG2-CG1 3.3Å; I293-H302 VanDerWaalsContact CD1-CE1 3.47Å; I293-H302 WeakPolarHBondContact CD1-CE1 3.45Å
294L92Very high84.3Confident0 Ų040.3 Ų40.30%024%0.244CC..EExtended strand (participates in β ladder)trans-94.7112.1171.1-172.769.5000109.1I239 M241 M296 Y301 F319 L320 V323I239-L294 HydrophobicContact CG2-CD1 3.56Å; I239-L294 HydrophobicContact CG2-CG 4.26Å; M241-L294 HydrophobicContact CB-CD1 4.21Å; M241-L294 HydrophobicContact SD-CB 3.94Å; M241-L294 HydrophobicContact SD-CD1 3.84Å; L294-M296 HydrophobicContact CD2-CG 4.09Å; L294-M296 HydrophobicContact CD2-SD 3.93Å; L294-M296 HydrophobicContact CG-CG 4.05Å; L294-M296 HydrophobicContact CG-SD 4.44Å; L294-Y301 PolarHBondContact N-O 3.11Å; L294-Y301 PolarHBondContact O-N 2.89Å; L294-F319 HydrophobicContact CD2-CE1 3.88Å; L294-F319 HydrophobicContact CD2-CZ 3.82Å; L294-L320 HydrophobicContact CD1-CD2 4.29Å; L294-V323 HydrophobicContact CD2-CG1 4.04Å; L294-V323 HydrophobicContact CD2-CG2 4.45Å
295K90.1Very high84.5Confident45 Ų4546.6 Ų46.620%0.19628%0.278CS..EExtended strand (participates in β ladder)trans-92.5118.7172.1-179.6170.3-177147.40109.3W231 I239 K240 F242W231-K295 HydrophobicContact CD2-CD 4Å; W231-K295 HydrophobicContact CE3-CD 3.88Å; W231-K295 HydrophobicContact CH2-CD 4.19Å; W231-K295 HydrophobicContact CZ2-CD 4.31Å; W231-K295 HydrophobicContact CZ3-CB 4.33Å; W231-K295 HydrophobicContact CZ3-CD 3.98Å; W231-K295 WeakPolarHBondContact O-CE 3.44Å; W231-K295 PolarHBondContact O-NZ 3.22Å; I239-K295 WeakPolarHBondContact CA-O 3.45Å; K240-K295 HydrophobicContact CB-CB 4.48Å; K240-K295 PolarHBondContact N-O 3.02Å; K240-K295 PolarHBondContact O-N 3.49Å; F242-K295 HydrophobicContact CD2-CB 4.22Å; F242-K295 HydrophobicContact CE2-CB 3.92Å; F242-K295 HydrophobicContact CE2-CD 4.14Å
296M88.1Confident84.8Confident14 Ų1446 Ų467%0.06927%0.269CS..EExtended strand (participates in β ladder)trans-114.5162.2174.5-58.1163.5-68.500108.3I239 L294 E298 G299 V323 R399 T403I239-M296 HydrophobicContact CG2-CG 4.48Å; L294-M296 HydrophobicContact CD2-CG 4.09Å; L294-M296 HydrophobicContact CD2-SD 3.93Å; L294-M296 HydrophobicContact CG-CG 4.05Å; L294-M296 HydrophobicContact CG-SD 4.44Å; M296-E298 WeakPolarHBondContact CB-OE2 3.31Å; M296-E298 PolarHBondContact O-N 3.36Å; M296-G299 PolarHBondContact N-O 3.38Å; M296-G299 PolarHBondContact O-N 2.92Å; M296-G299 VanDerWaalsContact O-O 3.05Å; M296-V323 HydrophobicContact SD-CG1 4.16Å; M296-R399 HydrophobicContact SD-CB 4.44Å; M296-T403 HydrophobicContact CE-CG2 3.86Å; M296-T403 HydrophobicContact SD-CG2 4.21Å
297P82.2Confident84.6Confident84 Ų8448.8 Ų48.855%0.54529%0.286SS..THydrogen-bonded Turntrans-65.6-21178.425.9-31.8000112.6P238P238-P297 HydrophobicContact CB-CG 3.97Å; P238-P297 VanDerWaalsContact O-CD 3.3Å; P238-P297 WeakPolarHBondContact O-CD 3.41Å
298E80.5Confident84.8Confident78 Ų7843.8 Ų43.836%0.36426%0.258SS..THydrogen-bonded Turntrans-89.9-20.6-179.4-51.787.2172.600113.8M296 K396 R399M296-E298 WeakPolarHBondContact CB-OE2 3.31Å; M296-E298 PolarHBondContact O-N 3.36Å; E298-K396 HydrophobicContact CG-CD 3.9Å; E298-K396 HydrophobicContact CG-CG 3.92Å; E298-R399 IonicContact OE1-CZ 3.54Å; E298-R399 IonicContact OE1-NH1 3.28Å; E298-R399 PolarHBondContact OE1-NH1 3.46Å; E298-R399 IonicContact OE2-NH1 3.94Å
299G84.3Confident85.1Confident33 Ų3338.3 Ų38.334%0.3423%0.232SC..EExtended strand (participates in β ladder)trans169.8-179.4-174.200000113.9M296M296-G299 PolarHBondContact N-O 3.38Å; M296-G299 PolarHBondContact O-N 2.92Å; M296-G299 VanDerWaalsContact O-O 3.05Å
300V88.2Confident85.2Confident64 Ų6437.8 Ų37.839%0.38822%0.224SC..EExtended strand (participates in β ladder)trans-113130.6-178.8-178.50000108.6W231 I293W231-V300 HydrophobicContact CH2-CG1 4.02Å; W231-V300 HydrophobicContact CH2-CG2 3.8Å; W231-V300 HydrophobicContact CZ2-CG2 3.74Å; I293-V300 HydrophobicContact CG2-CG1 3.3Å
301Y90.1Very high85.1Confident20 Ų2037.5 Ų37.58%0.07822%0.221CC..EExtended strand (participates in β ladder)trans-118.3131.9176.6-177.3-99.4000110.7L294 Y303 S306 E309 F319 T403L294-Y301 PolarHBondContact N-O 3.11Å; L294-Y301 PolarHBondContact O-N 2.89Å; Y301-Y303 HydrophobicContact CE1-CD2 4.48Å; Y301-S306 WeakPolarHBondContact OH-CB 3.39Å; Y301-S306 PolarHBondContact OH-OG 3.48Å; Y301-E309 VanDerWaalsContact OH-CD 3.24Å; Y301-E309 PolarHBondContact OH-OE1 3.47Å; Y301-E309 PolarHBondContact OH-OE2 2.99Å; Y301-F319 HydrophobicContact CD1-CE1 4.35Å; Y301-F319 HydrophobicContact CD1-CE2 4.2Å; Y301-F319 AromaticContact CD1-CZ 3.55Å; Y301-F319 HydrophobicContact CD1-CZ 3.55Å; Y301-F319 HydrophobicContact CE1-CE1 4.43Å; Y301-F319 AromaticContact CE1-CE2 3.89Å; Y301-F319 HydrophobicContact CE1-CE2 3.89Å; Y301-F319 AromaticContact CE1-CZ 3.61Å; Y301-F319 HydrophobicContact CE1-CZ 3.61Å; Y301-T403 HydrophobicContact CD2-CG2 3.87Å; Y301-T403 HydrophobicContact CE2-CG2 4.5Å; Y301-T403 WeakPolarHBondContact CE2-O 3.39Å; Y301-T403 HydrophobicContact CG-CG2 4.05Å
302H89.1Confident84.9Confident64 Ų6437.7 Ų37.730%0.29622%0.222SC..EExtended strand (participates in β ladder)trans-97.1107.8177.4-64.7-97000109.3G285 I293G285-H302 PolarHBondContact O-CE1 3.47Å; G285-H302 VanDerWaalsContact O-CE1 3.24Å; I293-H302 VanDerWaalsContact CD1-CE1 3.47Å; I293-H302 WeakPolarHBondContact CD1-CE1 3.45Å
303Y89.2Confident84.6Confident11 Ų1138.7 Ų38.74%0.04323%0.228CC..EExtended strand (participates in β ladder)trans-76.6133.3179-177.7-87.9000110.7Y292 Y301 E309 F310 L311 M316 F319Y292-Y303 PolarHBondContact O-N 2.71Å; Y301-Y303 HydrophobicContact CE1-CD2 4.48Å; Y303-E309 HydrophobicContact CE1-CB 4.42Å; Y303-E309 HydrophobicContact CE2-CB 4.13Å; Y303-E309 HydrophobicContact CE2-CG 4.16Å; Y303-F310 PolarHBondContact OH-O 3.44Å; Y303-L311 HydrophobicContact CD1-CD2 4.39Å; Y303-L311 HydrophobicContact CE1-CD2 4.22Å; Y303-M316 HydrophobicContact CD1-CE 3.26Å; Y303-M316 HydrophobicContact CD1-SD 3.92Å; Y303-M316 HydrophobicContact CD2-CE 4.36Å; Y303-M316 HydrophobicContact CD2-SD 3.9Å; Y303-M316 HydrophobicContact CE1-CE 3.27Å; Y303-M316 HydrophobicContact CE1-SD 3.84Å; Y303-M316 HydrophobicContact CE2-CE 4.35Å; Y303-M316 HydrophobicContact CE2-SD 3.81Å; Y303-M316 HydrophobicContact CG-CE 3.84Å; Y303-M316 HydrophobicContact CG-SD 3.93Å; Y303-M316 PolarHBondContact OH-N 3.43Å; Y303-F319 AromaticContact CD2-CD1 3.54Å; Y303-F319 HydrophobicContact CD2-CD1 3.54Å; Y303-F319 AromaticContact CD2-CE1 3.76Å; Y303-F319 HydrophobicContact CD2-CE1 3.76Å; Y303-F319 AromaticContact CD2-CG 3.99Å; Y303-F319 HydrophobicContact CD2-CG 3.99Å; Y303-F319 HydrophobicContact CD2-CZ 4.37Å; Y303-F319 HydrophobicContact CE2-CB 3.94Å; Y303-F319 AromaticContact CE2-CD1 3.74Å; Y303-F319 HydrophobicContact CE2-CD1 3.74Å; Y303-F319 HydrophobicContact CE2-CE1 4.41Å; Y303-F319 AromaticContact CE2-CG 3.84Å; Y303-F319 HydrophobicContact CE2-CG 3.84Å
304G81.6Confident84.3Confident38 Ų3841 Ų4139%0.39225%0.246SC..THydrogen-bonded Turntrans100.5-11.3-178.800000114.4E309G304-E309 PolarHBondContact N-OE2 3.4Å
305N83.3Confident84Confident145 Ų14541.6 Ų41.678%0.77525%0.252SS*.SBendtrans-81.2-26.9175-166.324.4000112.2
306S81.4Confident84Confident20 Ų2039.5 Ų39.514%0.1424%0.243CC..SBendtrans-82143.6178.6-61.90000111.3Y301 G308 E309Y301-S306 WeakPolarHBondContact OH-CB 3.39Å; Y301-S306 PolarHBondContact OH-OG 3.48Å; S306-G308 PolarHBondContact O-N 2.97Å; S306-E309 PolarHBondContact O-N 2.87Å
307T75.4Confident84.1Confident69 Ų6939.8 Ų39.842%0.42325%0.245SC..THydrogen-bonded Turntrans-61.5136.6176.352.10000111.5T35 S408 L409T35-T307 HydrophobicContact CG2-CG2 4.28Å; T307-S408 PolarHBondContact O-OG 3.02Å; T307-L409 WeakPolarHBondContact OG1-CD2 3.48Å
308G73.1Confident84.4Confident13 Ų1337.7 Ų37.713%0.13423%0.23CC..THydrogen-bonded Turntrans88.51.2178.800000114.7S306S306-G308 PolarHBondContact O-N 2.97Å
309E83.4Confident85Confident9 Ų934 Ų344%0.04221%0.213CC..  trans-90.6131.8172.5-61.2-170.8156.500110.7Y301 Y303 G304 S306 R411Y301-E309 VanDerWaalsContact OH-CD 3.24Å; Y301-E309 PolarHBondContact OH-OE1 3.47Å; Y301-E309 PolarHBondContact OH-OE2 2.99Å; Y303-E309 HydrophobicContact CE1-CB 4.42Å; Y303-E309 HydrophobicContact CE2-CB 4.13Å; Y303-E309 HydrophobicContact CE2-CG 4.16Å; G304-E309 PolarHBondContact N-OE2 3.4Å; S306-E309 PolarHBondContact O-N 2.87Å; E309-R411 IonicContact OE1-CZ 3.84Å; E309-R411 IonicContact OE1-NH1 2.68Å; E309-R411 PolarHBondContact OE1-NH1 3.24Å; E309-R411 IonicContact OE1-NH2 2.71Å; E309-R411 PolarHBondContact OE1-NH2 3.38Å
310F81.2Confident85.3Confident37 Ų3732.4 Ų32.416%0.16220%0.197CC..  trans-126.3148.4-178.6-56.1-63.1000110.7T79 E82 Y303 S312 A315T79-F310 VanDerWaalsContact OG1-CD1 3.26Å; T79-F310 WeakPolarHBondContact OG1-CD1 3.42Å; E82-F310 HydrophobicContact CB-CD1 4.45Å; Y303-F310 PolarHBondContact OH-O 3.44Å; F310-S312 PolarHBondContact O-N 3.46Å; F310-A315 HydrophobicContact CB-CB 4.23Å
311L83.1Confident85.4Confident18 Ų1832.9 Ų32.99%0.09419%0.191CC..SBendtrans-78.959.8175.5-63.1179.5000111.4Y292 Y303Y292-L311 HydrophobicContact CD2-CD2 3.6Å; Y292-L311 HydrophobicContact CE2-CD1 4.15Å; Y292-L311 HydrophobicContact CE2-CD2 3.35Å; Y292-L311 HydrophobicContact CE2-CG 4.39Å; Y292-L311 HydrophobicContact CG-CD2 4.4Å; Y303-L311 HydrophobicContact CD1-CD2 4.39Å; Y303-L311 HydrophobicContact CE1-CD2 4.22Å
312S83.2Confident85.4Confident21 Ų2133.2 Ų33.215%0.14720%0.197CC..SBendtrans-125.315317776.20000111.5F310 A314 A315 M316F310-S312 PolarHBondContact O-N 3.46Å; S312-A314 VanDerWaalsContact C-N 3.29Å; S312-A314 PolarHBondContact O-N 2.95Å; S312-A315 PolarHBondContact O-N 3.47Å; S312-A315 VanDerWaalsContact OG-CB 3.28Å; S312-A315 WeakPolarHBondContact OG-CB 3.38Å; S312-A315 PolarHBondContact OG-N 3.26Å; S312-M316 WeakPolarHBondContact O-CB 3.35Å; S312-M316 PolarHBondContact O-N 3.1Å
313L86Confident85.4Confident30 Ų3030.2 Ų30.216%0.15718%0.183CC..Hα-helixtrans-55.4-45.7176.2-175114.8000111.5F151 F253 L257 D317F151-L313 HydrophobicContact CB-CD1 4.49Å; F151-L313 WeakPolarHBondContact O-CD1 3.43Å; F253-L313 HydrophobicContact CB-CB 3.97Å; F253-L313 HydrophobicContact CB-CD1 3.81Å; F253-L313 HydrophobicContact CB-CG 4.49Å; L257-L313 HydrophobicContact CD2-CD1 4.48Å; L257-L313 HydrophobicContact CD2-CG 4.5Å; L257-L313 HydrophobicContact CG-CD1 4.26Å; L313-D317 WeakPolarHBondContact O-CB 3.15Å; L313-D317 PolarHBondContact O-N 2.93Å
314A84.1Confident85.4Confident47 Ų4730.8 Ų30.839%0.38819%0.186SC..Hα-helixtrans-65.3-46.8-17700000112.2S312 D317 T318S312-A314 VanDerWaalsContact C-N 3.29Å; S312-A314 PolarHBondContact O-N 2.95Å; A314-D317 PolarHBondContact O-N 3.3Å; A314-T318 PolarHBondContact O-N 3.01Å; A314-T318 PolarHBondContact O-OG1 3.1Å; A314-T318 VanDerWaalsContact O-OG1 3.04Å
315A86.6Confident85.8Confident13 Ų1329.9 Ų29.911%0.10717%0.173CC..Hα-helixtrans-65.8-45.5-178.900000112F310 S312 T318 F319F310-A315 HydrophobicContact CB-CB 4.23Å; S312-A315 PolarHBondContact O-N 3.47Å; S312-A315 VanDerWaalsContact OG-CB 3.28Å; S312-A315 WeakPolarHBondContact OG-CB 3.38Å; S312-A315 PolarHBondContact OG-N 3.26Å; A315-T318 PolarHBondContact O-N 2.93Å; A315-F319 PolarHBondContact O-N 3.49Å
316M89.6Confident85.9Confident2 Ų226.3 Ų26.31%0.0115%0.152CC..Hα-helixtrans-66.2-38.7177.2-172.674.478.200111.3M241 L257 Y292 Y303 S312 F319 L320M241-M316 HydrophobicContact CE-CE 3.85Å; M241-M316 HydrophobicContact CE-SD 3.87Å; L257-M316 HydrophobicContact CD1-CB 3.9Å; L257-M316 HydrophobicContact CD1-CG 3.55Å; Y292-M316 HydrophobicContact CD1-CE 3.92Å; Y292-M316 HydrophobicContact CE1-CE 4.45Å; Y292-M316 HydrophobicContact CG-CE 4.27Å; Y303-M316 HydrophobicContact CD1-CE 3.26Å; Y303-M316 HydrophobicContact CD1-SD 3.92Å; Y303-M316 HydrophobicContact CD2-CE 4.36Å; Y303-M316 HydrophobicContact CD2-SD 3.9Å; Y303-M316 HydrophobicContact CE1-CE 3.27Å; Y303-M316 HydrophobicContact CE1-SD 3.84Å; Y303-M316 HydrophobicContact CE2-CE 4.35Å; Y303-M316 HydrophobicContact CE2-SD 3.81Å; Y303-M316 HydrophobicContact CG-CE 3.84Å; Y303-M316 HydrophobicContact CG-SD 3.93Å; Y303-M316 PolarHBondContact OH-N 3.43Å; S312-M316 WeakPolarHBondContact O-CB 3.35Å; S312-M316 PolarHBondContact O-N 3.1Å; M316-F319 PolarHBondContact O-N 2.89Å; M316-F319 HydrophobicContact SD-CD1 4.17Å; M316-L320 HydrophobicContact CG-CD1 4.08Å; M316-L320 HydrophobicContact CG-CG 4.32Å; M316-L320 VanDerWaalsContact O-CG 3.32Å; M316-L320 WeakPolarHBondContact O-CG 3.29Å; M316-L320 PolarHBondContact O-N 2.95Å
317D90.3Very high86.1Confident20 Ų2028 Ų2811%0.10716%0.161CC..Hα-helixtrans-60.7-47.3175-173.365.6000111.8L257 K260 F261 L313 A314 F319 L320 R321L257-D317 HydrophobicContact CD2-CB 3.98Å; K260-D317 VanDerWaalsContact CD-OD1 3.28Å; K260-D317 WeakPolarHBondContact CD-OD1 3.41Å; K260-D317 WeakPolarHBondContact CE-OD1 3.33Å; K260-D317 IonicContact NZ-OD1 2.65Å; K260-D317 PolarHBondContact NZ-OD1 3.44Å; K260-D317 IonicContact NZ-OD2 3.9Å; K260-D317 PolarHBondContact NZ-OD2 2.99Å; F261-D317 WeakPolarHBondContact CE2-OD1 3.3Å; L313-D317 WeakPolarHBondContact O-CB 3.15Å; L313-D317 PolarHBondContact O-N 2.93Å; A314-D317 PolarHBondContact O-N 3.3Å; D317-F319 VanDerWaalsContact C-N 3.31Å; D317-F319 PolarHBondContact O-N 3.3Å; D317-L320 PolarHBondContact O-N 3.24Å; D317-R321 WeakPolarHBondContact O-CB 3.22Å; D317-R321 VanDerWaalsContact O-CG 3.29Å; D317-R321 WeakPolarHBondContact O-CG 3.39Å; D317-R321 PolarHBondContact O-N 3.47Å; D317-R321 IonicContact OD1-NE 2.66Å; D317-R321 IonicContact OD2-CZ 2.7Å; D317-R321 IonicContact OD2-NE 3.89Å; D317-R321 PolarHBondContact OD2-NE 3.25Å
318T89.7Confident86.8Confident40 Ų4029.3 Ų29.325%0.24517%0.166CC..Hα-helixtrans-60.7-41.3176.7-58.60000111.4A314 A315 S322 T415A314-T318 PolarHBondContact O-N 3.01Å; A314-T318 PolarHBondContact O-OG1 3.1Å; A314-T318 VanDerWaalsContact O-OG1 3.04Å; A315-T318 PolarHBondContact O-N 2.93Å; T318-S322 PolarHBondContact O-N 3.49Å; T318-S322 PolarHBondContact O-OG 3.25Å; T318-T415 HydrophobicContact CG2-CG2 4.46Å
319F91.6Very high87.4Confident0 Ų030.3 Ų30.30%017%0.168CC..Hα-helixtrans-61.8-52.8174.9170.7-115.2000112.3L294 Y301 Y303 A315 M316 D317 R321 S322 V323 R411L294-F319 HydrophobicContact CD2-CE1 3.88Å; L294-F319 HydrophobicContact CD2-CZ 3.82Å; Y301-F319 HydrophobicContact CD1-CE1 4.35Å; Y301-F319 HydrophobicContact CD1-CE2 4.2Å; Y301-F319 AromaticContact CD1-CZ 3.55Å; Y301-F319 HydrophobicContact CD1-CZ 3.55Å; Y301-F319 HydrophobicContact CE1-CE1 4.43Å; Y301-F319 AromaticContact CE1-CE2 3.89Å; Y301-F319 HydrophobicContact CE1-CE2 3.89Å; Y301-F319 AromaticContact CE1-CZ 3.61Å; Y301-F319 HydrophobicContact CE1-CZ 3.61Å; Y303-F319 AromaticContact CD2-CD1 3.54Å; Y303-F319 HydrophobicContact CD2-CD1 3.54Å; Y303-F319 AromaticContact CD2-CE1 3.76Å; Y303-F319 HydrophobicContact CD2-CE1 3.76Å; Y303-F319 AromaticContact CD2-CG 3.99Å; Y303-F319 HydrophobicContact CD2-CG 3.99Å; Y303-F319 HydrophobicContact CD2-CZ 4.37Å; Y303-F319 HydrophobicContact CE2-CB 3.94Å; Y303-F319 AromaticContact CE2-CD1 3.74Å; Y303-F319 HydrophobicContact CE2-CD1 3.74Å; Y303-F319 HydrophobicContact CE2-CE1 4.41Å; Y303-F319 AromaticContact CE2-CG 3.84Å; Y303-F319 HydrophobicContact CE2-CG 3.84Å; A315-F319 PolarHBondContact O-N 3.49Å; M316-F319 PolarHBondContact O-N 2.89Å; M316-F319 HydrophobicContact SD-CD1 4.17Å; D317-F319 VanDerWaalsContact C-N 3.31Å; D317-F319 PolarHBondContact O-N 3.3Å; F319-R321 VanDerWaalsContact C-N 3.3Å; F319-R321 PolarHBondContact O-N 3.48Å; F319-S322 WeakPolarHBondContact CA-OG 3.49Å; F319-S322 PolarHBondContact O-N 3.16Å; F319-S322 PolarHBondContact O-OG 3.49Å; F319-V323 HydrophobicContact CD2-CG2 3.93Å; F319-V323 HydrophobicContact CE1-CG2 4.44Å; F319-V323 HydrophobicContact CE2-CG2 3.5Å; F319-V323 VanDerWaalsContact CE2-CG2 3.5Å; F319-V323 HydrophobicContact CZ-CG2 3.78Å; F319-V323 WeakPolarHBondContact O-CG2 3.46Å; F319-V323 PolarHBondContact O-N 3.14Å; F319-R411 VanDerWaalsContact CD2-CZ 3.47Å
320L91.6Very high87.7Confident0 Ų033.3 Ų33.30%018%0.184CC..Hα-helixtrans-65.3-34.4-177.9-65.1177.6000112.3F261 I265 F267 L294 M316 D317 Q324F261-L320 HydrophobicContact CD1-CB 4.37Å; F261-L320 HydrophobicContact CD2-CD1 4.13Å; F261-L320 HydrophobicContact CE1-CB 3.68Å; F261-L320 HydrophobicContact CE2-CB 3.86Å; F261-L320 HydrophobicContact CE2-CD1 3.96Å; F261-L320 HydrophobicContact CZ-CB 3.38Å; F261-L320 HydrophobicContact CZ-CD1 4.35Å; I265-L320 HydrophobicContact CD1-CB 4.15Å; I265-L320 HydrophobicContact CD1-CD2 3.9Å; I265-L320 HydrophobicContact CD1-CG 4.4Å; F267-L320 HydrophobicContact CE1-CD1 4.38Å; F267-L320 HydrophobicContact CZ-CD1 3.77Å; L294-L320 HydrophobicContact CD1-CD2 4.29Å; M316-L320 HydrophobicContact CG-CD1 4.08Å; M316-L320 HydrophobicContact CG-CG 4.32Å; M316-L320 VanDerWaalsContact O-CG 3.32Å; M316-L320 WeakPolarHBondContact O-CG 3.29Å; M316-L320 PolarHBondContact O-N 2.95Å; D317-L320 PolarHBondContact O-N 3.24Å; L320-Q324 PolarHBondContact O-N 3.39Å
321R91Very high88.2Confident73 Ų7333.3 Ų33.328%0.27518%0.184SC..Hα-helixtrans-66.7-34.7171.5-74.2179.2-179-93.216.3113F261 D317 F319 Q324 P325 D329F261-R321 HydrophobicContact CE1-CG 4.32Å; F261-R321 HydrophobicContact CZ-CG 3.91Å; D317-R321 WeakPolarHBondContact O-CB 3.22Å; D317-R321 VanDerWaalsContact O-CG 3.29Å; D317-R321 WeakPolarHBondContact O-CG 3.39Å; D317-R321 PolarHBondContact O-N 3.47Å; D317-R321 IonicContact OD1-NE 2.66Å; D317-R321 IonicContact OD2-CZ 2.7Å; D317-R321 IonicContact OD2-NE 3.89Å; D317-R321 PolarHBondContact OD2-NE 3.25Å; F319-R321 VanDerWaalsContact C-N 3.3Å; F319-R321 PolarHBondContact O-N 3.48Å; R321-Q324 CarbonylContact O-C 3.55Å; R321-P325 WeakPolarHBondContact O-CA 3.33Å; R321-P325 WeakPolarHBondContact O-CB 3.16Å; R321-D329 IonicContact CZ-OD2 3.62Å; R321-D329 IonicContact NH1-OD1 3.7Å; R321-D329 PolarHBondContact NH1-OD1 3.15Å; R321-D329 IonicContact NH1-OD2 3.29Å; R321-D329 PolarHBondContact NH1-OD2 3.37Å
322S89.7Confident88.6Confident28 Ų2835.7 Ų35.720%0.19620%0.199CC..Hα-helixtrans-66.4-49.3174.457.60000111.4T318 F319 Q324 P325T318-S322 PolarHBondContact O-N 3.49Å; T318-S322 PolarHBondContact O-OG 3.25Å; F319-S322 WeakPolarHBondContact CA-OG 3.49Å; F319-S322 PolarHBondContact O-N 3.16Å; F319-S322 PolarHBondContact O-OG 3.49Å; S322-Q324 PolarHBondContact O-N 2.87Å; S322-P325 WeakPolarHBondContact O-CD 3.24Å
323V89.3Confident88.9Confident0 Ų040.2 Ų40.20%022%0.221CC..Hα-helixtrans-65.9-38.3-177.1177.10000112.5L294 M296 F319 R399 D402L294-V323 HydrophobicContact CD2-CG1 4.04Å; L294-V323 HydrophobicContact CD2-CG2 4.45Å; M296-V323 HydrophobicContact SD-CG1 4.16Å; F319-V323 HydrophobicContact CD2-CG2 3.93Å; F319-V323 HydrophobicContact CE1-CG2 4.44Å; F319-V323 HydrophobicContact CE2-CG2 3.5Å; F319-V323 VanDerWaalsContact CE2-CG2 3.5Å; F319-V323 HydrophobicContact CZ-CG2 3.78Å; F319-V323 WeakPolarHBondContact O-CG2 3.46Å; F319-V323 PolarHBondContact O-N 3.14Å; V323-R399 HydrophobicContact CG1-CG 3.91Å; V323-D402 HydrophobicContact CG2-CB 4.15Å
324Q88.7Confident89.2Confident24 Ų2439.9 Ų39.911%0.11222%0.221CC..SBendtrans-132.776.9-179.2-169.767.83000110.5I239 R264 I265 L320 R321 S322I239-Q324 HydrophobicContact CD1-CB 4.26Å; I239-Q324 HydrophobicContact CD1-CG 4.27Å; I239-Q324 VanDerWaalsContact CD1-OE1 3.26Å; R264-Q324 HydrophobicContact CB-CG 4.44Å; R264-Q324 PolarHBondContact NH1-O 3.41Å; I265-Q324 HydrophobicContact CD1-CB 4.48Å; L320-Q324 PolarHBondContact O-N 3.39Å; R321-Q324 CarbonylContact O-C 3.55Å; S322-Q324 PolarHBondContact O-N 2.87Å
325P89.3Confident89.6Confident19 Ų1940.1 Ų40.112%0.12322%0.216CC..  trans-73.2144.3-175.429.9-33.4000111.6R321 S322 L330R321-P325 WeakPolarHBondContact O-CA 3.33Å; R321-P325 WeakPolarHBondContact O-CB 3.16Å; S322-P325 WeakPolarHBondContact O-CD 3.24Å; P325-L330 HydrophobicContact CB-CD2 4.06Å; P325-L330 HydrophobicContact CB-CG 4.16Å; P325-L330 HydrophobicContact CG-CD2 4.25Å; P325-L330 HydrophobicContact CG-CG 4.49Å
326E85.4Confident89.8Confident70 Ų7042.7 Ų42.733%0.32723%0.23SC..  trans-82156.8168-68.4178-168.100111R264 N328 D329 L330R264-E326 IonicContact CZ-OE1 3.27Å; R264-E326 IonicContact NE-OE1 2.91Å; R264-E326 IonicContact NH1-OE1 3.84Å; R264-E326 PolarHBondContact NH1-OE1 2.87Å; R264-E326 IonicContact NH2-OE1 3.82Å; R264-E326 PolarHBondContact NH2-OE1 2.85Å; E326-N328 PolarHBondContact O-N 3.47Å; E326-D329 HydrophobicContact CB-CB 4.4Å; E326-D329 PolarHBondContact O-N 2.78Å; E326-L330 PolarHBondContact O-N 3.42Å
327V86.7Confident89.9Confident56 Ų5646 Ų4634%0.33925%0.247SC..Hα-helixtrans-57.8-35.7173.3-178.60000111.3F331 W375 L379V327-F331 WeakPolarHBondContact O-CB 3.49Å; V327-F331 PolarHBondContact O-N 2.86Å; V327-W375 HydrophobicContact CG1-CZ2 3.95Å; V327-L379 HydrophobicContact CG1-CD2 3.32Å
328N88.4Confident89.9Confident96 Ų9647 Ų4751%0.51325%0.252SS..Hα-helixtrans-65.5-42.1174.6-176.656.4000112.1E326 L330 F331 V332E326-N328 PolarHBondContact O-N 3.47Å; N328-L330 PolarHBondContact O-N 3.42Å; N328-F331 PolarHBondContact O-N 2.63Å; N328-V332 WeakPolarHBondContact O-CG2 3.27Å; N328-V332 PolarHBondContact O-N 3.26Å
329D87.5Confident90Very high34 Ų3447.1 Ų47.118%0.18225%0.251CS..Hα-helixtrans-64.3-42179-68.5-16.5000111R321 E326 V332 L333R321-D329 IonicContact CZ-OD2 3.62Å; R321-D329 IonicContact NH1-OD1 3.7Å; R321-D329 PolarHBondContact NH1-OD1 3.15Å; R321-D329 IonicContact NH1-OD2 3.29Å; R321-D329 PolarHBondContact NH1-OD2 3.37Å; E326-D329 HydrophobicContact CB-CB 4.4Å; E326-D329 PolarHBondContact O-N 2.78Å; D329-V332 PolarHBondContact O-N 3.41Å; D329-L333 WeakPolarHBondContact O-CB 3.38Å; D329-L333 PolarHBondContact O-N 2.65Å
330L88.9Confident89.9Confident71 Ų7148.3 Ų48.337%0.37226%0.257SS..Hα-helixtrans-63.4-41.1174.3-65.9177.3000112.1P325 E326 N328 L333 S334 W375P325-L330 HydrophobicContact CB-CD2 4.06Å; P325-L330 HydrophobicContact CB-CG 4.16Å; P325-L330 HydrophobicContact CG-CD2 4.25Å; P325-L330 HydrophobicContact CG-CG 4.49Å; E326-L330 PolarHBondContact O-N 3.42Å; N328-L330 PolarHBondContact O-N 3.42Å; L330-L333 PolarHBondContact O-N 2.7Å; L330-S334 WeakPolarHBondContact O-CB 3.16Å; L330-S334 PolarHBondContact O-N 3.43Å; L330-S334 PolarHBondContact O-OG 2.94Å; L330-W375 HydrophobicContact CB-CH2 4.36Å; L330-W375 HydrophobicContact CB-CZ2 4.47Å
331F91.8Very high89.8Confident38 Ų3849.1 Ų49.117%0.16726%0.262CS..Hα-helixtrans-62.8-48.8176.4175.2-105.2000111.5V327 N328 L333 S334 L335 L371 L372 W375V327-F331 WeakPolarHBondContact O-CB 3.49Å; V327-F331 PolarHBondContact O-N 2.86Å; N328-F331 PolarHBondContact O-N 2.63Å; F331-L333 VanDerWaalsContact C-N 3.34Å; F331-L333 PolarHBondContact O-N 3.46Å; F331-S334 PolarHBondContact O-N 3.2Å; F331-S334 PolarHBondContact O-OG 3.4Å; F331-L335 WeakPolarHBondContact O-CB 3.36Å; F331-L335 PolarHBondContact O-N 3.19Å; F331-L371 HydrophobicContact CE2-CG 4.44Å; F331-L372 HydrophobicContact CE2-CD2 4.07Å; F331-L372 HydrophobicContact CZ-CD2 3.64Å; F331-W375 HydrophobicContact CB-CZ2 4.23Å; F331-W375 HydrophobicContact CD2-CB 4.36Å; F331-W375 AromaticContact CD2-CD1 3.57Å; F331-W375 HydrophobicContact CD2-CD2 4.12Å; F331-W375 AromaticContact CD2-CG 3.78Å; F331-W375 HydrophobicContact CD2-CG 3.78Å; F331-W375 AromaticContact CD2-NE1 3.78Å; F331-W375 HydrophobicContact CE2-CB 4.44Å; F331-W375 HydrophobicContact CE2-CG 4.31Å
332V91.4Very high89.7Confident67 Ų6745.7 Ų45.741%0.40625%0.249SC..Hα-helixtrans-61.3-42.5178173.70000111.1N328 D329 S334 L335 V336N328-V332 WeakPolarHBondContact O-CG2 3.27Å; N328-V332 PolarHBondContact O-N 3.26Å; D329-V332 PolarHBondContact O-N 3.41Å; V332-S334 PolarHBondContact O-N 3.43Å; V332-L335 WeakPolarHBondContact O-CB 3.48Å; V332-L335 PolarHBondContact O-N 2.68Å; V332-V336 WeakPolarHBondContact O-CG2 3.41Å; V332-V336 PolarHBondContact O-N 2.98Å
333L89.9Confident89.7Confident117 Ų11750 Ų5061%0.61326%0.261SS*.Hα-helixtrans-59.9-45.2175.1-173.8108.4000111.4D329 L330 F331 L335 V336 L337D329-L333 WeakPolarHBondContact O-CB 3.38Å; D329-L333 PolarHBondContact O-N 2.65Å; L330-L333 PolarHBondContact O-N 2.7Å; F331-L333 VanDerWaalsContact C-N 3.34Å; F331-L333 PolarHBondContact O-N 3.46Å; L333-L335 VanDerWaalsContact C-N 3.32Å; L333-L335 PolarHBondContact O-N 2.93Å; L333-V336 PolarHBondContact O-N 3.18Å; L333-L337 WeakPolarHBondContact O-CB 3.14Å; L333-L337 PolarHBondContact O-N 3.5Å
334S92.1Very high89.5Confident23 Ų2350.1 Ų50.116%0.16126%0.261CS..Hα-helixtrans-62.8-39.2177.975.80000112.2L330 F331 V332 L337 I338L330-S334 WeakPolarHBondContact O-CB 3.16Å; L330-S334 PolarHBondContact O-N 3.43Å; L330-S334 PolarHBondContact O-OG 2.94Å; F331-S334 PolarHBondContact O-N 3.2Å; F331-S334 PolarHBondContact O-OG 3.4Å; V332-S334 PolarHBondContact O-N 3.43Å; S334-L337 PolarHBondContact O-N 3.15Å; S334-I338 WeakPolarHBondContact O-CB 3.49Å; S334-I338 WeakPolarHBondContact O-CG1 3.46Å; S334-I338 PolarHBondContact O-N 3.22Å
335L93Very high89.3Confident52 Ų5249.5 Ų49.527%0.27226%0.259SS..Hα-helixtrans-64.3-46.1176.7-178.368.1000111.3F331 V332 L333 N339 N368 L371F331-L335 WeakPolarHBondContact O-CB 3.36Å; F331-L335 PolarHBondContact O-N 3.19Å; V332-L335 WeakPolarHBondContact O-CB 3.48Å; V332-L335 PolarHBondContact O-N 2.68Å; L333-L335 VanDerWaalsContact C-N 3.32Å; L333-L335 PolarHBondContact O-N 2.93Å; L335-N339 VanDerWaalsContact O-CB 3.3Å; L335-N339 WeakPolarHBondContact O-CB 3.42Å; L335-N339 PolarHBondContact O-N 2.72Å; L335-N339 PolarHBondContact O-ND2 3.5Å; L335-N339 VanDerWaalsContact O-ND2 3.08Å; L335-N368 WeakPolarHBondContact CD1-OD1 2.85Å; L335-L371 HydrophobicContact CB-CD2 4.02Å; L335-L371 HydrophobicContact CD1-CD2 3.85Å
336V90.8Very high89.2Confident66 Ų6651.1 Ų51.140%0.426%0.264SS..Hα-helixtrans-62.3-46.2176.6172.60000110.7V332 L333 I338 N339 L340V332-V336 WeakPolarHBondContact O-CG2 3.41Å; V332-V336 PolarHBondContact O-N 2.98Å; L333-V336 PolarHBondContact O-N 3.18Å; V336-I338 PolarHBondContact O-N 2.99Å; V336-N339 PolarHBondContact O-N 3.36Å; V336-L340 HydrophobicContact CG1-CD1 4.14Å; V336-L340 HydrophobicContact CG1-CG 4.5Å; V336-L340 WeakPolarHBondContact O-CG 3.27Å; V336-L340 PolarHBondContact O-N 2.89Å
337L90.1Very high89.2Confident73 Ų7348.1 Ų48.138%0.38225%0.25SC..Hα-helixtrans-63.1-43.1-178.8-171.772.3000112.2L8 F12 L333 S334 L340 L341L8-L337 HydrophobicContact CD2-CD1 3.63Å; L8-L337 HydrophobicContact CD2-CG 4.32Å; F12-L337 HydrophobicContact CE2-CD1 4.09Å; F12-L337 HydrophobicContact CZ-CD1 4.41Å; L333-L337 WeakPolarHBondContact O-CB 3.14Å; L333-L337 PolarHBondContact O-N 3.5Å; S334-L337 PolarHBondContact O-N 3.15Å; L337-L340 PolarHBondContact O-N 2.99Å; L337-L341 WeakPolarHBondContact O-CB 3.39Å; L337-L341 PolarHBondContact O-N 3.2Å
338I91.3Very high89Confident40 Ų4047.4 Ų47.421%0.20524%0.244CC..Hα-helixtrans-69.4-38179.1-74.6167.3000111.3S334 V336 L341 A342 Y367 L371S334-I338 WeakPolarHBondContact O-CB 3.49Å; S334-I338 WeakPolarHBondContact O-CG1 3.46Å; S334-I338 PolarHBondContact O-N 3.22Å; V336-I338 PolarHBondContact O-N 2.99Å; I338-L341 WeakPolarHBondContact O-CB 3.08Å; I338-L341 PolarHBondContact O-N 3.31Å; I338-A342 WeakPolarHBondContact O-CB 3.38Å; I338-A342 PolarHBondContact O-N 2.97Å; I338-Y367 HydrophobicContact CG2-CD2 4.18Å; I338-Y367 HydrophobicContact CG2-CG 4.37Å; I338-L371 HydrophobicContact CD1-CB 4.04Å; I338-L371 HydrophobicContact CD1-CD1 3.43Å; I338-L371 VanDerWaalsContact CD1-CD1 3.43Å; I338-L371 HydrophobicContact CD1-CD2 3.76Å; I338-L371 HydrophobicContact CD1-CG 3.91Å
339N91.3Very high88.6Confident42 Ų4244.3 Ų44.323%0.22523%0.228CC..Hα-helixtrans-63.3-45.3173.4-76.6-32.8000111.4L335 V336 L341 A342 W343 L364 N368L335-N339 VanDerWaalsContact O-CB 3.3Å; L335-N339 WeakPolarHBondContact O-CB 3.42Å; L335-N339 PolarHBondContact O-N 2.72Å; L335-N339 PolarHBondContact O-ND2 3.5Å; L335-N339 VanDerWaalsContact O-ND2 3.08Å; V336-N339 PolarHBondContact O-N 3.36Å; N339-L341 VanDerWaalsContact C-N 3.29Å; N339-L341 PolarHBondContact O-N 2.96Å; N339-A342 PolarHBondContact O-N 2.92Å; N339-W343 VanDerWaalsContact O-CD1 3.26Å; N339-W343 PolarHBondContact O-N 3.38Å; N339-L364 WeakPolarHBondContact OD1-CD1 3.38Å; N339-N368 PolarHBondContact OD1-ND2 2.89Å; N339-N368 PolarHBondContact OD1-OD1 2.87Å
340L89.8Confident87.7Confident26 Ų2646.1 Ų46.114%0.13624%0.236CC..Hα-helixtrans-58.4-43.4173.2-69.5173.5000110.9L8 F12 V336 L337 A342 W343 M344 F424 Y428L8-L340 HydrophobicContact CD1-CB 4.16Å; F12-L340 HydrophobicContact CZ-CD1 4.32Å; V336-L340 HydrophobicContact CG1-CD1 4.14Å; V336-L340 HydrophobicContact CG1-CG 4.5Å; V336-L340 WeakPolarHBondContact O-CG 3.27Å; V336-L340 PolarHBondContact O-N 2.89Å; L337-L340 PolarHBondContact O-N 2.99Å; L340-A342 VanDerWaalsContact C-N 3.32Å; L340-A342 PolarHBondContact O-N 3.28Å; L340-W343 PolarHBondContact O-N 3.03Å; L340-M344 PolarHBondContact O-N 3.44Å; L340-F424 HydrophobicContact CD1-CZ 4.39Å; L340-F424 HydrophobicContact CD2-CE1 4.42Å; L340-Y428 HydrophobicContact CD2-CD2 4.43Å; L340-Y428 HydrophobicContact CD2-CE2 4.07Å; L340-Y428 PolarHBondContact O-OH 2.83Å
341L89.4Confident86.8Confident17 Ų1744.7 Ų44.79%0.08924%0.238CC..Hα-helixtrans-61.6-38.5176.6-164.573.8000112.9K4 L8 L337 I338 N339 M344 Y367K4-L341 HydrophobicContact CB-CD1 3.51Å; K4-L341 HydrophobicContact CB-CG 4.21Å; K4-L341 HydrophobicContact CD-CG 4.49Å; L8-L341 HydrophobicContact CD2-CD1 4.16Å; L337-L341 WeakPolarHBondContact O-CB 3.39Å; L337-L341 PolarHBondContact O-N 3.2Å; I338-L341 WeakPolarHBondContact O-CB 3.08Å; I338-L341 PolarHBondContact O-N 3.31Å; N339-L341 VanDerWaalsContact C-N 3.29Å; N339-L341 PolarHBondContact O-N 2.96Å; L341-M344 WeakPolarHBondContact O-CB 3.48Å; L341-M344 PolarHBondContact O-N 2.78Å; L341-Y367 HydrophobicContact CD2-CE2 4.32Å
342A88.9Confident85.9Confident0 Ų044.7 Ų44.70%025%0.245CC..Hα-helixtrans-67.8-39.6176.500000111.6I338 N339 L340 M344 D345 L360 L364 Y367I338-A342 WeakPolarHBondContact O-CB 3.38Å; I338-A342 PolarHBondContact O-N 2.97Å; N339-A342 PolarHBondContact O-N 2.92Å; L340-A342 VanDerWaalsContact C-N 3.32Å; L340-A342 PolarHBondContact O-N 3.28Å; A342-M344 PolarHBondContact O-N 3.42Å; A342-D345 WeakPolarHBondContact O-CB 3.42Å; A342-D345 PolarHBondContact O-N 3.46Å; A342-L360 WeakPolarHBondContact O-CD1 3.43Å; A342-L364 HydrophobicContact CB-CD1 4.12Å; A342-Y367 HydrophobicContact CB-CD2 4.07Å
343W89Confident85.2Confident119 Ų11946.5 Ų46.545%0.45126%0.257SS..Hα-helixtrans-62.5-25.6176-88.786.1000113.4N339 L340 D345 F346 L360 Y428N339-W343 VanDerWaalsContact O-CD1 3.26Å; N339-W343 PolarHBondContact O-N 3.38Å; L340-W343 PolarHBondContact O-N 3.03Å; W343-D345 PolarHBondContact O-N 2.94Å; W343-F346 WeakPolarHBondContact O-CB 3.49Å; W343-F346 PolarHBondContact O-N 3.35Å; W343-L360 HydrophobicContact CE3-CD2 4.36Å; W343-L360 HydrophobicContact CG-CD1 4.48Å; W343-L360 HydrophobicContact CZ3-CD2 4.37Å; W343-Y428 HydrophobicContact CB-CE1 4.1Å
344M86.5Confident84.7Confident2 Ų244.4 Ų44.41%0.0125%0.249CC..THydrogen-bonded Turntrans-63.6-26.5173.3-71.7-60-179.900113.2L8 L340 L341 A342 F346 F347 I348 Y428 I435L8-M344 HydrophobicContact CD1-CE 4.31Å; L340-M344 PolarHBondContact O-N 3.44Å; L341-M344 WeakPolarHBondContact O-CB 3.48Å; L341-M344 PolarHBondContact O-N 2.78Å; A342-M344 PolarHBondContact O-N 3.42Å; M344-F346 PolarHBondContact O-N 3.46Å; M344-F347 PolarHBondContact O-N 3.47Å; M344-F347 HydrophobicContact SD-CD2 4.44Å; M344-I348 HydrophobicContact CB-CD1 4.4Å; M344-I348 WeakPolarHBondContact O-CG1 3.02Å; M344-I348 PolarHBondContact O-N 2.94Å; M344-I348 VanDerWaalsContact O-N 3.14Å; M344-Y428 HydrophobicContact CE-CD2 4.05Å; M344-Y428 HydrophobicContact CE-CE2 3.17Å; M344-Y428 VanDerWaalsContact CE-CZ 3.46Å; M344-Y428 WeakPolarHBondContact CE-OH 3.46Å; M344-Y428 WeakPolarHBondContact CG-OH 3.31Å; M344-Y428 PolarHBondContact N-OH 3.29Å; M344-Y428 HydrophobicContact SD-CE2 4.28Å; M344-Y428 PolarHBondContact SD-OH 3.35Å; M344-Y428 VanDerWaalsContact SD-OH 3.41Å; M344-I435 HydrophobicContact SD-CD1 4.42Å
345D83.6Confident84.2Confident11 Ų1146.7 Ų46.76%0.05926%0.256CS..Hα-helixtrans-64.2-27178-78.2-40.3000112.9K4 A342 W343 F347 I348 T349 T363K4-D345 WeakPolarHBondContact CE-OD1 3.33Å; K4-D345 IonicContact NZ-OD1 3.62Å; K4-D345 PolarHBondContact NZ-OD1 3.5Å; K4-D345 IonicContact NZ-OD2 3.93Å; K4-D345 PolarHBondContact NZ-OD2 3.26Å; A342-D345 WeakPolarHBondContact O-CB 3.42Å; A342-D345 PolarHBondContact O-N 3.46Å; W343-D345 PolarHBondContact O-N 2.94Å; D345-F347 PolarHBondContact O-N 3.17Å; D345-I348 PolarHBondContact O-N 3.28Å; D345-T349 WeakPolarHBondContact O-CB 3.24Å; D345-T349 WeakPolarHBondContact O-CG2 3.23Å; D345-T349 PolarHBondContact O-N 2.98Å; D345-T349 PolarHBondContact O-OG1 2.67Å; D345-T363 HydrophobicContact CB-CG2 4.44Å
346F86.3Confident83.7Confident54 Ų5445.1 Ų45.124%0.23725%0.246CC..Hα-helixtrans-60.2-34.2174.3-175.9-99.9000112.3W343 M344 R356 L360W343-F346 WeakPolarHBondContact O-CB 3.49Å; W343-F346 PolarHBondContact O-N 3.35Å; M344-F346 PolarHBondContact O-N 3.46Å; F346-R356 HydrophobicContact CD2-CB 3.77Å; F346-R356 HydrophobicContact CE2-CB 3.76Å; F346-L360 HydrophobicContact CB-CD1 4.47Å; F346-L360 HydrophobicContact CB-CD2 4.41Å; F346-L360 HydrophobicContact CD2-CD2 4.22Å
347F85.4Confident83.5Confident6 Ų647.6 Ų47.63%0.02625%0.252CS..Hα-helixtrans-89.5-33.4-178.6-60.7-71.1000113.1M344 D345 Y428 L429 G432 L433 D436M344-F347 PolarHBondContact O-N 3.47Å; M344-F347 HydrophobicContact SD-CD2 4.44Å; D345-F347 PolarHBondContact O-N 3.17Å; F347-Y428 HydrophobicContact CE2-CE1 4.28Å; F347-L429 HydrophobicContact CZ-CD2 3.87Å; F347-G432 WeakPolarHBondContact CB-O 3.47Å; F347-G432 WeakPolarHBondContact CD1-O 3.33Å; F347-G432 WeakPolarHBondContact CG-O 3.21Å; F347-L433 HydrophobicContact CE1-CD2 4.2Å; F347-L433 HydrophobicContact CE1-CG 4.3Å; F347-D436 HydrophobicContact CB-CB 4.49Å
348I82.6Confident83.2Confident41 Ų4145.9 Ų45.921%0.2124%0.244CC..Hα-helixtrans-77.3-33.1-178.8-62.5168.2000111.4K4 F7 M344 D345 Q350 I435K4-I348 HydrophobicContact CG-CD1 3.94Å; F7-I348 HydrophobicContact CD2-CD1 4.46Å; M344-I348 HydrophobicContact CB-CD1 4.4Å; M344-I348 WeakPolarHBondContact O-CG1 3.02Å; M344-I348 PolarHBondContact O-N 2.94Å; M344-I348 VanDerWaalsContact O-N 3.14Å; D345-I348 PolarHBondContact O-N 3.28Å; I348-Q350 PolarHBondContact O-N 3.32Å; I348-I435 HydrophobicContact CG1-CG2 4.47Å
349T79.8Confident82.9Confident32 Ų3245.7 Ų45.720%0.19625%0.245CC..  trans-71.5125.5-176.452.20000112.1D345 R356 V359D345-T349 WeakPolarHBondContact O-CB 3.24Å; D345-T349 WeakPolarHBondContact O-CG2 3.23Å; D345-T349 PolarHBondContact O-N 2.98Å; D345-T349 PolarHBondContact O-OG1 2.67Å; T349-R356 VanDerWaalsContact O-CZ 3.26Å; T349-R356 PolarHBondContact O-NE 2.91Å; T349-R356 PolarHBondContact O-NH2 3.42Å; T349-V359 HydrophobicContact CG2-CG1 3.94Å
350Q70.6Confident82.7Confident71 Ų7144.1 Ų44.133%0.33224%0.236SC..  trans-88.1137.9176-62.1-174.35.300110.9I348 H443I348-Q350 PolarHBondContact O-N 3.32Å; Q350-H443 PolarHBondContact NE2-ND1 2.88Å
351G68.2Low82.6Confident41 Ų4147.4 Ų47.442%0.42325%0.253SS..SBendtrans140.8-172.8178.400000113.7
352A74.1Confident82.5Confident39 Ų3952.5 Ų52.532%0.32227%0.271SS..  trans-59.3153.7175.200000112V354 K355 R356A352-V354 PolarHBondContact O-N 3.45Å; A352-K355 WeakPolarHBondContact O-CA 3.48Å; A352-K355 WeakPolarHBondContact O-CB 3.48Å; A352-K355 PolarHBondContact O-N 2.89Å; A352-R356 PolarHBondContact O-N 3.11Å; A352-R356 VanDerWaalsContact O-N 3.09Å
353T76.9Confident82.4Confident105 Ų10553.4 Ų53.464%0.64428%0.277SS*.Hα-helixtrans-57.1-36.6179.450.40000112.5K355 R356 F357T353-K355 VanDerWaalsContact C-N 3.32Å; T353-K355 PolarHBondContact O-N 3.28Å; T353-R356 PolarHBondContact O-N 2.86Å; T353-F357 PolarHBondContact O-N 3Å
354V79.6Confident82.5Confident73 Ų7350.3 Ų50.344%0.44227%0.269SS..Hα-helixtrans-63.2-40.6175.1-170.50000110.8A352 R356 F357 V358 L459A352-V354 PolarHBondContact O-N 3.45Å; V354-R356 PolarHBondContact O-N 2.88Å; V354-F357 PolarHBondContact O-N 2.87Å; V354-V358 HydrophobicContact CG1-CG2 4.44Å; V354-V358 VanDerWaalsContact O-CG2 3.31Å; V354-V358 WeakPolarHBondContact O-CG2 3.47Å; V354-V358 PolarHBondContact O-N 2.78Å; V354-L459 HydrophobicContact CG1-CD1 4.28Å; V354-L459 HydrophobicContact CG1-CD2 3.77Å
355K79.9Confident82.7Confident71 Ų7152 Ų5231%0.30929%0.286SS..Hα-helixtrans-61.9-44.2176173.2165.5-175.1-179.30113.1A352 T353 F357 V359 W458A352-K355 WeakPolarHBondContact O-CA 3.48Å; A352-K355 WeakPolarHBondContact O-CB 3.48Å; A352-K355 PolarHBondContact O-N 2.89Å; T353-K355 VanDerWaalsContact C-N 3.32Å; T353-K355 PolarHBondContact O-N 3.28Å; K355-F357 VanDerWaalsContact C-N 3.35Å; K355-F357 PolarHBondContact O-N 3.48Å; K355-V359 VanDerWaalsContact O-CG2 3.29Å; K355-V359 WeakPolarHBondContact O-CG2 3.49Å; K355-V359 PolarHBondContact O-N 2.89Å; K355-V359 VanDerWaalsContact O-N 3.12Å; K355-W458 HydrophobicContact CB-CD2 4.12Å; K355-W458 HydrophobicContact CB-CE3 3.74Å; K355-W458 HydrophobicContact CB-CH2 3.61Å; K355-W458 HydrophobicContact CB-CZ2 3.84Å; K355-W458 HydrophobicContact CB-CZ3 3.49Å; K355-W458 VanDerWaalsContact CB-CZ3 3.49Å; K355-W458 HydrophobicContact CD-CD2 3.67Å; K355-W458 HydrophobicContact CD-CE3 4.12Å; K355-W458 HydrophobicContact CD-CG 4.06Å; K355-W458 HydrophobicContact CD-CZ2 4.06Å; K355-W458 HydrophobicContact CG-CD2 3.91Å; K355-W458 HydrophobicContact CG-CE3 4.07Å; K355-W458 HydrophobicContact CG-CH2 3.8Å; K355-W458 HydrophobicContact CG-CZ2 3.44Å; K355-W458 VanDerWaalsContact CG-CZ2 3.44Å; K355-W458 HydrophobicContact CG-CZ3 4.03Å
356R84.2Confident83Confident19 Ų1954.3 Ų54.37%0.07230%0.301CS..Hα-helixtrans-61.3-43.5175.8-62.9178.4166.4-164.8-11.7111.8F346 T349 A352 T353 V354 L360 D436F346-R356 HydrophobicContact CD2-CB 3.77Å; F346-R356 HydrophobicContact CE2-CB 3.76Å; T349-R356 VanDerWaalsContact O-CZ 3.26Å; T349-R356 PolarHBondContact O-NE 2.91Å; T349-R356 PolarHBondContact O-NH2 3.42Å; A352-R356 PolarHBondContact O-N 3.11Å; A352-R356 VanDerWaalsContact O-N 3.09Å; T353-R356 PolarHBondContact O-N 2.86Å; V354-R356 PolarHBondContact O-N 2.88Å; R356-L360 WeakPolarHBondContact O-CB 3.27Å; R356-L360 PolarHBondContact O-N 2.97Å; R356-D436 IonicContact CZ-OD1 3.13Å; R356-D436 IonicContact NH1-OD1 3.21Å; R356-D436 IonicContact NH1-OD2 3.74Å; R356-D436 PolarHBondContact NH1-OD2 3.29Å; R356-D436 IonicContact NH2-OD1 3.91Å; R356-D436 PolarHBondContact NH2-OD1 2.87Å; R356-D436 IonicContact NH2-OD2 3.05Å
357F85.8Confident83.3Confident118 Ų11853.8 Ų53.852%0.51830%0.297SS..Hα-helixtrans-67.9-41.9-177.4-172-105.4000113.2T353 V354 K355 L360 I361T353-F357 PolarHBondContact O-N 3Å; V354-F357 PolarHBondContact O-N 2.87Å; K355-F357 VanDerWaalsContact C-N 3.35Å; K355-F357 PolarHBondContact O-N 3.48Å; F357-L360 WeakPolarHBondContact O-CB 3.45Å; F357-L360 PolarHBondContact O-N 3.41Å; F357-I361 HydrophobicContact CD1-CD1 3.75Å; F357-I361 HydrophobicContact CE1-CD1 3.28Å; F357-I361 HydrophobicContact CE1-CG1 4.2Å; F357-I361 HydrophobicContact CZ-CD1 3.79Å; F357-I361 HydrophobicContact CZ-CG1 4.35Å; F357-I361 PolarHBondContact O-N 2.91Å
358V84.1Confident83.6Confident36 Ų3655 Ų5522%0.21830%0.304CS..Hα-helixtrans-68.4-40.9178173.30000111.4V354 L360 I361 R362 W458 L462V354-V358 HydrophobicContact CG1-CG2 4.44Å; V354-V358 VanDerWaalsContact O-CG2 3.31Å; V354-V358 WeakPolarHBondContact O-CG2 3.47Å; V354-V358 PolarHBondContact O-N 2.78Å; V358-L360 VanDerWaalsContact C-N 3.3Å; V358-L360 PolarHBondContact O-N 3.38Å; V358-I361 PolarHBondContact O-N 3.38Å; V358-R362 PolarHBondContact O-N 3.33Å; V358-W458 HydrophobicContact CB-CH2 3.84Å; V358-W458 HydrophobicContact CG1-CH2 4.11Å; V358-W458 HydrophobicContact CG2-CH2 4.17Å; V358-L462 HydrophobicContact CB-CD1 4.44Å; V358-L462 HydrophobicContact CG1-CD1 3.46Å; V358-L462 VanDerWaalsContact CG1-CD1 3.46Å; V358-L462 HydrophobicContact CG1-CD2 3.23Å; V358-L462 HydrophobicContact CG1-CG 3.97Å
359V84.4Confident84.1Confident36 Ų3656.4 Ų56.422%0.21832%0.318CS..Hα-helixtrans-62.3-41.1172.8175.40000110.2T349 K355 R362 T363 W458T349-V359 HydrophobicContact CG2-CG1 3.94Å; K355-V359 VanDerWaalsContact O-CG2 3.29Å; K355-V359 WeakPolarHBondContact O-CG2 3.49Å; K355-V359 PolarHBondContact O-N 2.89Å; K355-V359 VanDerWaalsContact O-N 3.12Å; V359-R362 PolarHBondContact O-N 3.47Å; V359-T363 HydrophobicContact CG1-CG2 4.04Å; V359-T363 WeakPolarHBondContact O-CB 3.47Å; V359-T363 VanDerWaalsContact O-CG2 3.29Å; V359-T363 WeakPolarHBondContact O-CG2 3.39Å; V359-T363 PolarHBondContact O-N 3.32Å; V359-T363 PolarHBondContact O-OG1 2.89Å; V359-T363 VanDerWaalsContact O-OG1 3.04Å; V359-W458 HydrophobicContact CG2-CZ2 4.37Å
360L87.3Confident84.7Confident9 Ų960.1 Ų60.15%0.04734%0.335CS..Hα-helixtrans-57.1-51.7175.3177.766000111.7A342 W343 F346 R356 F357 V358 R362 T363 L364A342-L360 WeakPolarHBondContact O-CD1 3.43Å; W343-L360 HydrophobicContact CE3-CD2 4.36Å; W343-L360 HydrophobicContact CG-CD1 4.48Å; W343-L360 HydrophobicContact CZ3-CD2 4.37Å; F346-L360 HydrophobicContact CB-CD1 4.47Å; F346-L360 HydrophobicContact CB-CD2 4.41Å; F346-L360 HydrophobicContact CD2-CD2 4.22Å; R356-L360 WeakPolarHBondContact O-CB 3.27Å; R356-L360 PolarHBondContact O-N 2.97Å; F357-L360 WeakPolarHBondContact O-CB 3.45Å; F357-L360 PolarHBondContact O-N 3.41Å; V358-L360 VanDerWaalsContact C-N 3.3Å; V358-L360 PolarHBondContact O-N 3.38Å; L360-R362 VanDerWaalsContact C-N 3.31Å; L360-R362 PolarHBondContact O-N 3.16Å; L360-T363 WeakPolarHBondContact CA-OG1 3.31Å; L360-T363 PolarHBondContact O-N 2.97Å; L360-T363 PolarHBondContact O-OG1 3.46Å; L360-L364 WeakPolarHBondContact O-CB 3.48Å; L360-L364 PolarHBondContact O-N 3.27Å
361I88.9Confident85.8Confident96 Ų9657.3 Ų57.349%0.49232%0.322SS..Hα-helixtrans-57.4-45.7178.2-69.6170.1000110.9F357 V358 T363 L364 G365F357-I361 HydrophobicContact CD1-CD1 3.75Å; F357-I361 HydrophobicContact CE1-CD1 3.28Å; F357-I361 HydrophobicContact CE1-CG1 4.2Å; F357-I361 HydrophobicContact CZ-CD1 3.79Å; F357-I361 HydrophobicContact CZ-CG1 4.35Å; F357-I361 PolarHBondContact O-N 2.91Å; V358-I361 PolarHBondContact O-N 3.38Å; I361-T363 PolarHBondContact O-N 3.13Å; I361-L364 PolarHBondContact O-N 3.38Å; I361-G365 PolarHBondContact O-N 2.9Å
362R87.2Confident86.9Confident124 Ų12459.9 Ų59.947%0.46833%0.326SS..Hα-helixtrans-59.9-47.8176.8179.4-175-178.8161.70.5111.5V358 V359 L360 T366 W465V358-R362 PolarHBondContact O-N 3.33Å; V359-R362 PolarHBondContact O-N 3.47Å; L360-R362 VanDerWaalsContact C-N 3.31Å; L360-R362 PolarHBondContact O-N 3.16Å; R362-T366 HydrophobicContact CG-CG2 4.44Å; R362-T366 WeakPolarHBondContact O-CB 3.19Å; R362-T366 VanDerWaalsContact O-CG2 3.29Å; R362-T366 WeakPolarHBondContact O-CG2 3.35Å; R362-T366 PolarHBondContact O-N 3.44Å; R362-T366 PolarHBondContact O-OG1 3.36Å; R362-W465 HydrophobicContact CG-CH2 3.77Å; R362-W465 HydrophobicContact CG-CZ3 4.21Å; R362-W465 VanDerWaalsContact NH1-CH2 3.32Å
363T86.4Confident87.9Confident19 Ų1962.9 Ų62.912%0.11734%0.34CS..Hα-helixtrans-65.5-40.7-179.554.70000112D345 V359 L360 I361 T366 Y367D345-T363 HydrophobicContact CB-CG2 4.44Å; V359-T363 HydrophobicContact CG1-CG2 4.04Å; V359-T363 WeakPolarHBondContact O-CB 3.47Å; V359-T363 VanDerWaalsContact O-CG2 3.29Å; V359-T363 WeakPolarHBondContact O-CG2 3.39Å; V359-T363 PolarHBondContact O-N 3.32Å; V359-T363 PolarHBondContact O-OG1 2.89Å; V359-T363 VanDerWaalsContact O-OG1 3.04Å; L360-T363 WeakPolarHBondContact CA-OG1 3.31Å; L360-T363 PolarHBondContact O-N 2.97Å; L360-T363 PolarHBondContact O-OG1 3.46Å; I361-T363 PolarHBondContact O-N 3.13Å; T363-T366 WeakPolarHBondContact CA-OG1 3.38Å; T363-T366 PolarHBondContact O-OG1 3.3Å; T363-T366 VanDerWaalsContact O-OG1 3.07Å; T363-Y367 VanDerWaalsContact O-CB 3.24Å; T363-Y367 WeakPolarHBondContact O-CB 3.33Å; T363-Y367 PolarHBondContact O-N 2.97Å
364L91.7Very high88.5Confident54 Ų5460.4 Ų60.428%0.28333%0.327SS..Hα-helixtrans-63.4-47.7176.8-170.573.8000111.3N339 A342 L360 I361 N368N339-L364 WeakPolarHBondContact OD1-CD1 3.38Å; A342-L364 HydrophobicContact CB-CD1 4.12Å; L360-L364 WeakPolarHBondContact O-CB 3.48Å; L360-L364 PolarHBondContact O-N 3.27Å; I361-L364 PolarHBondContact O-N 3.38Å; L364-N368 VanDerWaalsContact O-CB 3.3Å; L364-N368 WeakPolarHBondContact O-CB 3.35Å; L364-N368 PolarHBondContact O-N 2.98Å; L364-N368 PolarHBondContact O-ND2 2.96Å
365G90.3Very high89.2Confident36 Ų3659.2 Ų59.237%0.37132%0.315SS..Hα-helixtrans-62.9-47.7177.800000112.3I361 S369I361-G365 PolarHBondContact O-N 2.9Å; G365-S369 VanDerWaalsContact O-CB 3.23Å; G365-S369 WeakPolarHBondContact O-CB 3.48Å; G365-S369 PolarHBondContact O-N 3.07Å; G365-S369 PolarHBondContact O-OG 3.18Å
366T89.3Confident89.7Confident61 Ų6161.6 Ų61.637%0.37433%0.33SS..Hα-helixtrans-64.9-45179.151.10000112.3R362 T363 S369 I370R362-T366 HydrophobicContact CG-CG2 4.44Å; R362-T366 WeakPolarHBondContact O-CB 3.19Å; R362-T366 VanDerWaalsContact O-CG2 3.29Å; R362-T366 WeakPolarHBondContact O-CG2 3.35Å; R362-T366 PolarHBondContact O-N 3.44Å; R362-T366 PolarHBondContact O-OG1 3.36Å; T363-T366 WeakPolarHBondContact CA-OG1 3.38Å; T363-T366 PolarHBondContact O-OG1 3.3Å; T363-T366 VanDerWaalsContact O-OG1 3.07Å; T366-S369 PolarHBondContact O-N 3.43Å; T366-I370 WeakPolarHBondContact O-CB 3.15Å; T366-I370 WeakPolarHBondContact O-CD1 3.49Å; T366-I370 WeakPolarHBondContact O-CG1 3.34Å; T366-I370 PolarHBondContact O-N 2.99Å
367Y92.2Very high90Very high42 Ų4264 Ų6417%0.16535%0.348CS..Hα-helixtrans-67.7-43.5-178.6-77.314.4000112K4 I338 L341 A342 T363 I370 L371K4-Y367 PolarHBondContact NZ-OH 3.42Å; I338-Y367 HydrophobicContact CG2-CD2 4.18Å; I338-Y367 HydrophobicContact CG2-CG 4.37Å; L341-Y367 HydrophobicContact CD2-CE2 4.32Å; A342-Y367 HydrophobicContact CB-CD2 4.07Å; T363-Y367 VanDerWaalsContact O-CB 3.24Å; T363-Y367 WeakPolarHBondContact O-CB 3.33Å; T363-Y367 PolarHBondContact O-N 2.97Å; Y367-I370 PolarHBondContact O-N 3.31Å; Y367-L371 WeakPolarHBondContact O-CB 3.37Å; Y367-L371 PolarHBondContact O-N 3.34Å
368N93Very high90.1Very high32 Ų3260.8 Ų60.817%0.17134%0.338CS..Hα-helixtrans-67.5-36.6176.8-73.2-30000112.2L335 N339 L364 L371 L372L335-N368 WeakPolarHBondContact CD1-OD1 2.85Å; N339-N368 PolarHBondContact OD1-ND2 2.89Å; N339-N368 PolarHBondContact OD1-OD1 2.87Å; L364-N368 VanDerWaalsContact O-CB 3.3Å; L364-N368 WeakPolarHBondContact O-CB 3.35Å; L364-N368 PolarHBondContact O-N 2.98Å; L364-N368 PolarHBondContact O-ND2 2.96Å; N368-L371 PolarHBondContact O-N 3.47Å; N368-L372 WeakPolarHBondContact O-CB 3.43Å; N368-L372 VanDerWaalsContact O-CG 3.29Å; N368-L372 WeakPolarHBondContact O-CG 3.3Å; N368-L372 PolarHBondContact O-N 2.93Å
369S93.3Very high90.3Very high71 Ų7161.9 Ų61.950%0.49734%0.342SS..Hα-helixtrans-64.9-45.2174.2-580000111.5G365 T366 L371 L372 V373G365-S369 VanDerWaalsContact O-CB 3.23Å; G365-S369 WeakPolarHBondContact O-CB 3.48Å; G365-S369 PolarHBondContact O-N 3.07Å; G365-S369 PolarHBondContact O-OG 3.18Å; T366-S369 PolarHBondContact O-N 3.43Å; S369-L371 VanDerWaalsContact C-N 3.34Å; S369-L371 PolarHBondContact O-N 3Å; S369-L372 PolarHBondContact O-N 3.35Å; S369-V373 WeakPolarHBondContact O-CB 3.29Å; S369-V373 VanDerWaalsContact O-CG2 3.28Å; S369-V373 WeakPolarHBondContact O-CG2 3.47Å; S369-V373 PolarHBondContact O-N 2.97Å
370I92.4Very high90.4Very high109 Ų10962.7 Ų62.756%0.55935%0.353SS*.Hα-helixtrans-61.7-43.9175.7-70164.9000110.3T366 Y367 V373 S374T366-I370 WeakPolarHBondContact O-CB 3.15Å; T366-I370 WeakPolarHBondContact O-CD1 3.49Å; T366-I370 WeakPolarHBondContact O-CG1 3.34Å; T366-I370 PolarHBondContact O-N 2.99Å; Y367-I370 PolarHBondContact O-N 3.31Å; I370-V373 PolarHBondContact O-N 3.4Å; I370-S374 WeakPolarHBondContact O-CB 3.28Å; I370-S374 PolarHBondContact O-N 3.48Å; I370-S374 PolarHBondContact O-OG 3.08Å; I370-S374 VanDerWaalsContact O-OG 3.08Å
371L92.6Very high90.3Very high12 Ų1266.4 Ų66.46%0.06337%0.372CS..Hα-helixtrans-57.6-52.7177.6178.960.2000111.2F331 L335 I338 Y367 N368 S369 V373 S374 W375F331-L371 HydrophobicContact CE2-CG 4.44Å; L335-L371 HydrophobicContact CB-CD2 4.02Å; L335-L371 HydrophobicContact CD1-CD2 3.85Å; I338-L371 HydrophobicContact CD1-CB 4.04Å; I338-L371 HydrophobicContact CD1-CD1 3.43Å; I338-L371 VanDerWaalsContact CD1-CD1 3.43Å; I338-L371 HydrophobicContact CD1-CD2 3.76Å; I338-L371 HydrophobicContact CD1-CG 3.91Å; Y367-L371 WeakPolarHBondContact O-CB 3.37Å; Y367-L371 PolarHBondContact O-N 3.34Å; N368-L371 PolarHBondContact O-N 3.47Å; S369-L371 VanDerWaalsContact C-N 3.34Å; S369-L371 PolarHBondContact O-N 3Å; L371-V373 PolarHBondContact O-N 3.47Å; L371-S374 WeakPolarHBondContact CA-OG 3.44Å; L371-S374 PolarHBondContact O-N 2.95Å; L371-S374 PolarHBondContact O-OG 2.8Å; L371-W375 PolarHBondContact O-N 3.42Å
372L92.4Very high90Very high96 Ų9664.9 Ų64.950%0.50336%0.364SS..Hα-helixtrans-59.3-47.9-179.9-73.3169.1000111.9F331 N368 S369 S374 W375F331-L372 HydrophobicContact CE2-CD2 4.07Å; F331-L372 HydrophobicContact CZ-CD2 3.64Å; N368-L372 WeakPolarHBondContact O-CB 3.43Å; N368-L372 VanDerWaalsContact O-CG 3.29Å; N368-L372 WeakPolarHBondContact O-CG 3.3Å; N368-L372 PolarHBondContact O-N 2.93Å; S369-L372 PolarHBondContact O-N 3.35Å; L372-S374 VanDerWaalsContact C-N 3.32Å; L372-S374 PolarHBondContact O-N 2.96Å; L372-W375 PolarHBondContact O-N 3.08Å
373V93.7Very high89.9Confident102 Ų10266.6 Ų66.662%0.61838%0.378SS*.Hα-helixtrans-64.6-37.8178.51730000111.3S369 I370 L371 P377S369-V373 WeakPolarHBondContact O-CB 3.29Å; S369-V373 VanDerWaalsContact O-CG2 3.28Å; S369-V373 WeakPolarHBondContact O-CG2 3.47Å; S369-V373 PolarHBondContact O-N 2.97Å; I370-V373 PolarHBondContact O-N 3.4Å; L371-V373 PolarHBondContact O-N 3.47Å; V373-P377 WeakPolarHBondContact O-CD 3.43Å
374S90.8Very high89.8Confident52 Ų5269.6 Ų69.636%0.36439%0.393SS..Hα-helixtrans-73-25.6178.973.80000113.6I370 L371 L372 P377 V378I370-S374 WeakPolarHBondContact O-CB 3.28Å; I370-S374 PolarHBondContact O-N 3.48Å; I370-S374 PolarHBondContact O-OG 3.08Å; I370-S374 VanDerWaalsContact O-OG 3.08Å; L371-S374 WeakPolarHBondContact CA-OG 3.44Å; L371-S374 PolarHBondContact O-N 2.95Å; L371-S374 PolarHBondContact O-OG 2.8Å; L372-S374 VanDerWaalsContact C-N 3.32Å; L372-S374 PolarHBondContact O-N 2.96Å; S374-P377 VanDerWaalsContact O-CD 3.23Å; S374-P377 WeakPolarHBondContact O-CD 3.19Å; S374-P377 VanDerWaalsContact O-CG 3.24Å; S374-P377 WeakPolarHBondContact O-CG 3.32Å; S374-V378 VanDerWaalsContact O-CG2 3.31Å; S374-V378 WeakPolarHBondContact O-CG2 3.3Å
375W93.3Very high89.3Confident49 Ų4971.1 Ų71.119%0.18641%0.406CS..Hα-helixtrans-75.5-30.4-179.6-159.4-117.8000112.5V327 L330 F331 L371 L372 V378 L379V327-W375 HydrophobicContact CG1-CZ2 3.95Å; L330-W375 HydrophobicContact CB-CH2 4.36Å; L330-W375 HydrophobicContact CB-CZ2 4.47Å; F331-W375 HydrophobicContact CB-CZ2 4.23Å; F331-W375 HydrophobicContact CD2-CB 4.36Å; F331-W375 AromaticContact CD2-CD1 3.57Å; F331-W375 HydrophobicContact CD2-CD2 4.12Å; F331-W375 AromaticContact CD2-CG 3.78Å; F331-W375 HydrophobicContact CD2-CG 3.78Å; F331-W375 AromaticContact CD2-NE1 3.78Å; F331-W375 HydrophobicContact CE2-CB 4.44Å; F331-W375 HydrophobicContact CE2-CG 4.31Å; L371-W375 PolarHBondContact O-N 3.42Å; L372-W375 PolarHBondContact O-N 3.08Å; W375-V378 HydrophobicContact CD2-CB 4.46Å; W375-V378 HydrophobicContact CD2-CG1 4.43Å; W375-V378 HydrophobicContact CE3-CB 4.02Å; W375-V378 HydrophobicContact CE3-CG1 3.88Å; W375-V378 HydrophobicContact CE3-CG2 4.35Å; W375-V378 HydrophobicContact CH2-CG1 4.15Å; W375-V378 HydrophobicContact CZ3-CB 4.36Å; W375-V378 HydrophobicContact CZ3-CG1 3.73Å; W375-V378 WeakPolarHBondContact O-CB 3.32Å; W375-V378 PolarHBondContact O-N 2.93Å; W375-V378 VanDerWaalsContact O-N 3.16Å; W375-L379 HydrophobicContact CG-CG 4.47Å; W375-L379 WeakPolarHBondContact O-CG 3.31Å; W375-L379 PolarHBondContact O-N 2.81Å
376L90.6Very high88.8Confident120 Ų12079.4 Ų79.463%0.62843%0.427SS*.Hα-helixtrans-55.3-52.1175.8-66.5174.1000113.6V378 L379 A380L376-V378 VanDerWaalsContact C-N 3.33Å; L376-V378 PolarHBondContact O-N 2.86Å; L376-L379 PolarHBondContact O-N 3.44Å; L376-A380 PolarHBondContact O-N 2.98Å; L376-A380 VanDerWaalsContact O-N 3.14Å
377P90.1Very high88.5Confident70 Ų7079.1 Ų79.146%0.45542%0.423SS..Hα-helixtrans-68.2-31.4175.126.1-33.4000112.2V373 S374 L379 A380 L381V373-P377 WeakPolarHBondContact O-CD 3.43Å; S374-P377 VanDerWaalsContact O-CD 3.23Å; S374-P377 WeakPolarHBondContact O-CD 3.19Å; S374-P377 VanDerWaalsContact O-CG 3.24Å; S374-P377 WeakPolarHBondContact O-CG 3.32Å; P377-L379 VanDerWaalsContact C-N 3.35Å; P377-L379 PolarHBondContact O-N 3.22Å; P377-A380 PolarHBondContact O-N 3.47Å; P377-L381 WeakPolarHBondContact O-CB 3.38Å; P377-L381 VanDerWaalsContact O-CG 3.24Å; P377-L381 WeakPolarHBondContact O-CG 3.34Å; P377-L381 PolarHBondContact O-N 2.98Å
378V88.3Confident87.9Confident50 Ų5081.4 Ų81.430%0.30344%0.438SS..Hα-helixtrans-62.2-43.2174.8172.10000111.1S374 W375 L376 A380 L381 I382S374-V378 VanDerWaalsContact O-CG2 3.31Å; S374-V378 WeakPolarHBondContact O-CG2 3.3Å; W375-V378 HydrophobicContact CD2-CB 4.46Å; W375-V378 HydrophobicContact CD2-CG1 4.43Å; W375-V378 HydrophobicContact CE3-CB 4.02Å; W375-V378 HydrophobicContact CE3-CG1 3.88Å; W375-V378 HydrophobicContact CE3-CG2 4.35Å; W375-V378 HydrophobicContact CH2-CG1 4.15Å; W375-V378 HydrophobicContact CZ3-CB 4.36Å; W375-V378 HydrophobicContact CZ3-CG1 3.73Å; W375-V378 WeakPolarHBondContact O-CB 3.32Å; W375-V378 PolarHBondContact O-N 2.93Å; W375-V378 VanDerWaalsContact O-N 3.16Å; L376-V378 VanDerWaalsContact C-N 3.33Å; L376-V378 PolarHBondContact O-N 2.86Å; V378-A380 VanDerWaalsContact C-N 3.34Å; V378-A380 PolarHBondContact O-N 3.49Å; V378-L381 PolarHBondContact O-N 3.41Å; V378-I382 HydrophobicContact CG1-CD1 3.88Å; V378-I382 HydrophobicContact CG1-CG1 4.49Å; V378-I382 VanDerWaalsContact O-CG1 3.3Å; V378-I382 WeakPolarHBondContact O-CG1 3.38Å; V378-I382 PolarHBondContact O-N 2.88Å
379L87.3Confident87.4Confident59 Ų5984.1 Ų84.131%0.30946%0.456SS..Hα-helixtrans-61.7-42.4174.2-68.4175.4000111.9V327 W375 L376 P377 L381 I382 Q383V327-L379 HydrophobicContact CG1-CD2 3.32Å; W375-L379 HydrophobicContact CG-CG 4.47Å; W375-L379 WeakPolarHBondContact O-CG 3.31Å; W375-L379 PolarHBondContact O-N 2.81Å; L376-L379 PolarHBondContact O-N 3.44Å; P377-L379 VanDerWaalsContact C-N 3.35Å; P377-L379 PolarHBondContact O-N 3.22Å; L379-L381 VanDerWaalsContact C-N 3.32Å; L379-L381 PolarHBondContact O-N 2.9Å; L379-I382 PolarHBondContact O-N 2.87Å; L379-Q383 WeakPolarHBondContact O-CG 3.46Å; L379-Q383 PolarHBondContact O-N 3.4Å
380A87.1Confident87Confident53 Ų5386.1 Ų86.144%0.43846%0.461SS..Hα-helixtrans-63.5-38.5175.900000112L376 P377 V378 Q383L376-A380 PolarHBondContact O-N 2.98Å; L376-A380 VanDerWaalsContact O-N 3.14Å; P377-A380 PolarHBondContact O-N 3.47Å; V378-A380 VanDerWaalsContact C-N 3.34Å; V378-A380 PolarHBondContact O-N 3.49Å; A380-Q383 PolarHBondContact O-N 3.42Å
381L85.8Confident86.5Confident87 Ų8785.5 Ų85.546%0.45545%0.452SS..Hα-helixtrans-67-41.4176-72170.5000111.9P377 V378 L379 Q383 L384 L387P377-L381 WeakPolarHBondContact O-CB 3.38Å; P377-L381 VanDerWaalsContact O-CG 3.24Å; P377-L381 WeakPolarHBondContact O-CG 3.34Å; P377-L381 PolarHBondContact O-N 2.98Å; V378-L381 PolarHBondContact O-N 3.41Å; L379-L381 VanDerWaalsContact C-N 3.32Å; L379-L381 PolarHBondContact O-N 2.9Å; L381-Q383 PolarHBondContact O-N 3.12Å; L381-L384 HydrophobicContact CD2-CD1 4.04Å; L381-L384 WeakPolarHBondContact O-CB 3.5Å; L381-L384 PolarHBondContact O-N 3.31Å; L381-L384 VanDerWaalsContact O-N 3.07Å; L381-L387 HydrophobicContact CB-CD1 3.83Å; L381-L387 HydrophobicContact CD2-CD1 3.93Å; L381-L387 HydrophobicContact CG-CD1 4.45Å; L381-L387 VanDerWaalsContact O-CD1 3.28Å; L381-L387 WeakPolarHBondContact O-CD1 3.35Å
382I82.4Confident86.1Confident64 Ų6486.6 Ų86.633%0.32847%0.467SS..Hα-helixtrans-62.4-26.8177.3-68.6164.8000111.6V378 L379 L384V378-I382 HydrophobicContact CG1-CD1 3.88Å; V378-I382 HydrophobicContact CG1-CG1 4.49Å; V378-I382 VanDerWaalsContact O-CG1 3.3Å; V378-I382 WeakPolarHBondContact O-CG1 3.38Å; V378-I382 PolarHBondContact O-N 2.88Å; L379-I382 PolarHBondContact O-N 2.87Å; I382-L384 VanDerWaalsContact C-N 3.31Å
383Q84.8Confident85.9Confident161 Ų16189.6 Ų89.675%0.75247%0.472SS*.THydrogen-bonded Turntrans-79.4-9.6177.3-69.4175.4-1.100113.9L379 A380 L381L379-Q383 WeakPolarHBondContact O-CG 3.46Å; L379-Q383 PolarHBondContact O-N 3.4Å; A380-Q383 PolarHBondContact O-N 3.42Å; L381-Q383 PolarHBondContact O-N 3.12Å
384L85.4Confident85.6Confident81 Ų8187.4 Ų87.442%0.42446%0.462SS..  trans-79.6126.9-179.8-68174.5000110.8L381 I382 Y386 L387L381-L384 HydrophobicContact CD2-CD1 4.04Å; L381-L384 WeakPolarHBondContact O-CB 3.5Å; L381-L384 PolarHBondContact O-N 3.31Å; L381-L384 VanDerWaalsContact O-N 3.07Å; I382-L384 VanDerWaalsContact C-N 3.31Å; L384-Y386 PolarHBondContact O-N 3.42Å; L384-Y386 VanDerWaalsContact O-N 3.09Å; L384-L387 HydrophobicContact CB-CD1 4.48Å; L384-L387 HydrophobicContact CD1-CD1 4.43Å; L384-L387 PolarHBondContact O-N 3.24Å
385P81.3Confident85.4Confident86 Ų8685.5 Ų85.556%0.55845%0.447SS*.THydrogen-bonded Turntrans-63.8-23.1-175.425.2-34.9000113.7L387 D388P385-L387 VanDerWaalsContact C-N 3.29Å; P385-L387 PolarHBondContact O-N 3.29Å; P385-D388 WeakPolarHBondContact CA-OD2 3.41Å; P385-D388 WeakPolarHBondContact O-CB 3.43Å; P385-D388 PolarHBondContact O-N 3.07Å
386Y79.6Confident85.2Confident210 Ų21088.4 Ų88.482%0.82446%0.461SS*.THydrogen-bonded Turntrans-70.1-25.8176.2-63-76.1000113.1L384L384-Y386 PolarHBondContact O-N 3.42Å; L384-Y386 VanDerWaalsContact O-N 3.09Å
387L81.4Confident85.2Confident56 Ų5688.5 Ų88.529%0.29346%0.462SS..THydrogen-bonded Turntrans-91.3-6-179.2-66.8175.7000112.9L381 L384 P385 T389 L390 Y391L381-L387 HydrophobicContact CB-CD1 3.83Å; L381-L387 HydrophobicContact CD2-CD1 3.93Å; L381-L387 HydrophobicContact CG-CD1 4.45Å; L381-L387 VanDerWaalsContact O-CD1 3.28Å; L381-L387 WeakPolarHBondContact O-CD1 3.35Å; L384-L387 HydrophobicContact CB-CD1 4.48Å; L384-L387 HydrophobicContact CD1-CD1 4.43Å; L384-L387 PolarHBondContact O-N 3.24Å; P385-L387 VanDerWaalsContact C-N 3.29Å; P385-L387 PolarHBondContact O-N 3.29Å; L387-T389 PolarHBondContact O-N 2.98Å; L387-L390 HydrophobicContact CD2-CD1 3.68Å; L387-L390 PolarHBondContact O-N 3.04Å; L387-Y391 PolarHBondContact O-N 2.89Å
388D79.9Confident85.1Confident89 Ų8987.8 Ų87.848%0.47645%0.454SS..Hα-helixtrans-55.9-34.4174.4-75-22.1000112.1P385 Y391 G392P385-D388 WeakPolarHBondContact CA-OD2 3.41Å; P385-D388 WeakPolarHBondContact O-CB 3.43Å; P385-D388 PolarHBondContact O-N 3.07Å; D388-Y391 PolarHBondContact O-N 3.14Å; D388-G392 PolarHBondContact O-N 2.95Å
389T83.9Confident85.2Confident90 Ų9086.2 Ų86.255%0.55244%0.442SS*.Hα-helixtrans-66.2-44.7177-57.70000111.2L387 G392 Y393L387-T389 PolarHBondContact O-N 2.98Å; T389-G392 PolarHBondContact O-N 2.86Å; T389-Y393 HydrophobicContact CG2-CD2 3.84Å; T389-Y393 HydrophobicContact CG2-CE2 3.51Å; T389-Y393 WeakPolarHBondContact O-CD2 3.44Å; T389-Y393 PolarHBondContact O-N 3.14Å
390L83.4Confident85.3Confident113 Ų11392.1 Ų92.159%0.59246%0.462SS*.Hα-helixtrans-67.9-38.5177.6-69.4-178.2000111.7L387 Y393 S394L387-L390 HydrophobicContact CD2-CD1 3.68Å; L387-L390 PolarHBondContact O-N 3.04Å; L390-Y393 PolarHBondContact O-N 3.03Å; L390-S394 PolarHBondContact O-N 3.48Å; L390-S394 PolarHBondContact O-OG 2.95Å
391Y83.3Confident85.5Confident95 Ų9591.6 Ų91.637%0.37346%0.458SS..Hα-helixtrans-62.1-42.7172.7175.7-104.5000111.8L387 D388 Y393 S394 L395L387-Y391 PolarHBondContact O-N 2.89Å; D388-Y391 PolarHBondContact O-N 3.14Å; Y391-Y393 PolarHBondContact O-N 3.49Å; Y391-S394 PolarHBondContact O-N 3.44Å; Y391-S394 PolarHBondContact O-OG 3.42Å; Y391-L395 HydrophobicContact CE1-CD2 4.17Å; Y391-L395 VanDerWaalsContact O-CB 3.25Å; Y391-L395 WeakPolarHBondContact O-CB 3.46Å; Y391-L395 PolarHBondContact O-N 3.25Å
392G83.6Confident85.6Confident36 Ų3688.9 Ų88.937%0.37144%0.443SS..Hα-helixtrans-60.6-43.5174.300000112.7D388 T389 K396D388-G392 PolarHBondContact O-N 2.95Å; T389-G392 PolarHBondContact O-N 2.86Å; G392-K396 WeakPolarHBondContact O-CB 3.24Å; G392-K396 PolarHBondContact O-N 2.98Å
393Y88.1Confident85.9Confident158 Ų15887.5 Ų87.562%0.6244%0.438SS*.Hα-helixtrans-66.2-42.1176.1-80-64.9000113T389 L390 Y391 K396 L397T389-Y393 HydrophobicContact CG2-CD2 3.84Å; T389-Y393 HydrophobicContact CG2-CE2 3.51Å; T389-Y393 WeakPolarHBondContact O-CD2 3.44Å; T389-Y393 PolarHBondContact O-N 3.14Å; L390-Y393 PolarHBondContact O-N 3.03Å; Y391-Y393 PolarHBondContact O-N 3.49Å; Y393-K396 PolarHBondContact O-N 3.07Å; Y393-L397 PolarHBondContact O-N 2.89Å
394S87.8Confident86.1Confident57 Ų5782.3 Ų82.340%0.39942%0.417SS..Hα-helixtrans-66-41.2178.567.60000111.3L390 Y391 K396 L397 I398L390-S394 PolarHBondContact O-N 3.48Å; L390-S394 PolarHBondContact O-OG 2.95Å; Y391-S394 PolarHBondContact O-N 3.44Å; Y391-S394 PolarHBondContact O-OG 3.42Å; S394-K396 VanDerWaalsContact C-N 3.35Å; S394-K396 PolarHBondContact O-N 3.16Å; S394-L397 WeakPolarHBondContact O-CB 3.16Å; S394-L397 PolarHBondContact O-N 3.29Å; S394-I398 WeakPolarHBondContact O-CG1 3.5Å; S394-I398 PolarHBondContact O-N 3.41Å
395L86.8Confident86.3Confident11 Ų1182.8 Ų82.86%0.05842%0.424CS..Hα-helixtrans-64.1-40.5175.8-169.763.8000111.6Y391 L397 I398 R399Y391-L395 HydrophobicContact CE1-CD2 4.17Å; Y391-L395 VanDerWaalsContact O-CB 3.25Å; Y391-L395 WeakPolarHBondContact O-CB 3.46Å; Y391-L395 PolarHBondContact O-N 3.25Å; L395-L397 VanDerWaalsContact C-N 3.32Å; L395-L397 PolarHBondContact O-N 3.47Å; L395-I398 PolarHBondContact O-N 3.43Å; L395-R399 VanDerWaalsContact O-CG 3.27Å; L395-R399 WeakPolarHBondContact O-CG 3.43Å; L395-R399 PolarHBondContact O-N 3.28Å
396K88.8Confident86.6Confident110 Ų11084.1 Ų84.148%0.47842%0.421SS..Hα-helixtrans-59.1-41.8172.1172.7163.3-176.1179.20112.4E298 G392 Y393 S394 R399 Y400E298-K396 HydrophobicContact CG-CD 3.9Å; E298-K396 HydrophobicContact CG-CG 3.92Å; G392-K396 WeakPolarHBondContact O-CB 3.24Å; G392-K396 PolarHBondContact O-N 2.98Å; Y393-K396 PolarHBondContact O-N 3.07Å; S394-K396 VanDerWaalsContact C-N 3.35Å; S394-K396 PolarHBondContact O-N 3.16Å; K396-R399 PolarHBondContact O-N 3.44Å; K396-Y400 PolarHBondContact O-N 2.98Å
397L89.9Confident87.1Confident122 Ų12274.7 Ų74.764%0.63939%0.386SS*.Hα-helixtrans-65.9-43.4177.1-169.7154.5000111.5Y393 S394 L395 Y400 A401Y393-L397 PolarHBondContact O-N 2.89Å; S394-L397 WeakPolarHBondContact O-CB 3.16Å; S394-L397 PolarHBondContact O-N 3.29Å; L395-L397 VanDerWaalsContact C-N 3.32Å; L395-L397 PolarHBondContact O-N 3.47Å; L397-Y400 PolarHBondContact O-N 3.4Å; L397-A401 WeakPolarHBondContact O-CB 3.41Å; L397-A401 PolarHBondContact O-N 3.25Å
398I89Confident87.4Confident56 Ų5672 Ų7229%0.28737%0.372SS..Hα-helixtrans-58.7-49175.8-69.9167.3000110.3S394 L395 Y400 A401 D402S394-I398 WeakPolarHBondContact O-CG1 3.5Å; S394-I398 PolarHBondContact O-N 3.41Å; L395-I398 PolarHBondContact O-N 3.43Å; I398-Y400 VanDerWaalsContact C-N 3.33Å; I398-Y400 PolarHBondContact O-N 2.93Å; I398-A401 WeakPolarHBondContact O-CB 3.18Å; I398-A401 PolarHBondContact O-N 3.42Å; I398-A401 VanDerWaalsContact O-N 3.1Å; I398-D402 VanDerWaalsContact CG2-OD2 3.27Å; I398-D402 WeakPolarHBondContact CG2-OD2 3.23Å; I398-D402 WeakPolarHBondContact O-CB 3.3Å; I398-D402 PolarHBondContact O-N 2.96Å
399R89.8Confident87.8Confident17 Ų1769.6 Ų69.66%0.06436%0.359CS..Hα-helixtrans-59.2-42.3177.7-67.9175.4-172.6156.30.8112.7M296 E298 V323 L395 K396 A401 D402 T403M296-R399 HydrophobicContact SD-CB 4.44Å; E298-R399 IonicContact OE1-CZ 3.54Å; E298-R399 IonicContact OE1-NH1 3.28Å; E298-R399 PolarHBondContact OE1-NH1 3.46Å; E298-R399 IonicContact OE2-NH1 3.94Å; V323-R399 HydrophobicContact CG1-CG 3.91Å; L395-R399 VanDerWaalsContact O-CG 3.27Å; L395-R399 WeakPolarHBondContact O-CG 3.43Å; L395-R399 PolarHBondContact O-N 3.28Å; K396-R399 PolarHBondContact O-N 3.44Å; R399-A401 VanDerWaalsContact C-N 3.34Å; R399-D402 PolarHBondContact O-N 3.04Å; R399-T403 WeakPolarHBondContact O-CB 3.41Å; R399-T403 WeakPolarHBondContact O-CG2 3.3Å; R399-T403 PolarHBondContact O-N 3.31Å; R399-T403 VanDerWaalsContact O-N 3.14Å; R399-T403 PolarHBondContact O-OG1 3.04Å
400Y90.2Very high88.1Confident182 Ų18268.3 Ų68.371%0.71435%0.351SS*.Hα-helixtrans-64.9-39.5176.4-174.2-97000111.8K396 L397 I398 T403 T404K396-Y400 PolarHBondContact O-N 2.98Å; L397-Y400 PolarHBondContact O-N 3.4Å; I398-Y400 VanDerWaalsContact C-N 3.33Å; I398-Y400 PolarHBondContact O-N 2.93Å; Y400-T403 PolarHBondContact O-OG1 2.87Å; Y400-T403 VanDerWaalsContact O-OG1 3.09Å; Y400-T404 WeakPolarHBondContact O-CG2 3.32Å
401A90.3Very high88.3Confident43 Ų4364 Ų6436%0.35533%0.327SS..Hα-helixtrans-66.1-44.4175.900000112L397 I398 R399 T403 T404 A407L397-A401 WeakPolarHBondContact O-CB 3.41Å; L397-A401 PolarHBondContact O-N 3.25Å; I398-A401 WeakPolarHBondContact O-CB 3.18Å; I398-A401 PolarHBondContact O-N 3.42Å; I398-A401 VanDerWaalsContact O-N 3.1Å; R399-A401 VanDerWaalsContact C-N 3.34Å; A401-T403 VanDerWaalsContact C-N 3.33Å; A401-T403 PolarHBondContact O-N 3.17Å; A401-T404 WeakPolarHBondContact O-CB 3.23Å; A401-T404 WeakPolarHBondContact O-CG2 3.36Å; A401-T404 PolarHBondContact O-N 3.39Å; A401-T404 PolarHBondContact O-OG1 3.23Å; A401-A407 VanDerWaalsContact O-CB 3.28Å; A401-A407 WeakPolarHBondContact O-CB 3.34Å
402D87.7Confident88.4Confident29 Ų2960.1 Ų60.116%0.15532%0.315CS..Hα-helixtrans-72.7-23-174.9-76.5-33.1000114.6V323 I398 R399 T404V323-D402 HydrophobicContact CG2-CB 4.15Å; I398-D402 VanDerWaalsContact CG2-OD2 3.27Å; I398-D402 WeakPolarHBondContact CG2-OD2 3.23Å; I398-D402 WeakPolarHBondContact O-CB 3.3Å; I398-D402 PolarHBondContact O-N 2.96Å; R399-D402 PolarHBondContact O-N 3.04Å; D402-T404 PolarHBondContact O-N 2.89Å
403T88.2Confident88.5Confident36 Ų3659 Ų5922%0.22130%0.3CS..THydrogen-bonded Turntrans-81.8-2.1176.350.40000113.2M296 Y301 R399 Y400 A401M296-T403 HydrophobicContact CE-CG2 3.86Å; M296-T403 HydrophobicContact SD-CG2 4.21Å; Y301-T403 HydrophobicContact CD2-CG2 3.87Å; Y301-T403 HydrophobicContact CE2-CG2 4.5Å; Y301-T403 WeakPolarHBondContact CE2-O 3.39Å; Y301-T403 HydrophobicContact CG-CG2 4.05Å; R399-T403 WeakPolarHBondContact O-CB 3.41Å; R399-T403 WeakPolarHBondContact O-CG2 3.3Å; R399-T403 PolarHBondContact O-N 3.31Å; R399-T403 VanDerWaalsContact O-N 3.14Å; R399-T403 PolarHBondContact O-OG1 3.04Å; Y400-T403 PolarHBondContact O-OG1 2.87Å; Y400-T403 VanDerWaalsContact O-OG1 3.09Å; A401-T403 VanDerWaalsContact C-N 3.33Å; A401-T403 PolarHBondContact O-N 3.17Å
404T90.5Very high88.5Confident51 Ų5157.9 Ų57.931%0.31330%0.295SS..SBendtrans-75.7151.917466.40000112Y400 A401 D402 F406 A407 S408Y400-T404 WeakPolarHBondContact O-CG2 3.32Å; A401-T404 WeakPolarHBondContact O-CB 3.23Å; A401-T404 WeakPolarHBondContact O-CG2 3.36Å; A401-T404 PolarHBondContact O-N 3.39Å; A401-T404 PolarHBondContact O-OG1 3.23Å; D402-T404 PolarHBondContact O-N 2.89Å; T404-F406 PolarHBondContact O-N 2.91Å; T404-A407 PolarHBondContact O-N 3.43Å; T404-A407 WeakPolarHBondContact OG1-CB 3.47Å; T404-A407 PolarHBondContact OG1-N 3.03Å; T404-S408 PolarHBondContact O-N 2.97Å
405T88Confident88.3Confident91 Ų9157.1 Ų57.156%0.55829%0.287SS*.Hα-helixtrans-63.1-28.1172.955.30000112.5S408 L409T405-S408 PolarHBondContact O-N 2.67Å; T405-S408 PolarHBondContact O-OG 3.34Å; T405-L409 WeakPolarHBondContact O-CG 3.32Å; T405-L409 PolarHBondContact O-N 2.94Å
406F89.1Confident88.2Confident115 Ų11560.3 Ų60.350%0.50430%0.301SS..Hα-helixtrans-65.4-44.7173.8179.8-101.2000111.3F16 T404 S408 L409 V410F16-F406 HydrophobicContact CE2-CE2 4.29Å; F16-F406 HydrophobicContact CZ-CE2 4.05Å; T404-F406 PolarHBondContact O-N 2.91Å; F406-S408 VanDerWaalsContact C-N 3.3Å; F406-S408 PolarHBondContact O-N 2.94Å; F406-L409 PolarHBondContact O-N 2.89Å; F406-V410 HydrophobicContact CD1-CG2 4.12Å; F406-V410 HydrophobicContact CE1-CG2 3.65Å; F406-V410 HydrophobicContact CE2-CG2 4.3Å; F406-V410 HydrophobicContact CZ-CG2 3.75Å; F406-V410 WeakPolarHBondContact O-CG2 2.88Å; F406-V410 PolarHBondContact O-N 3.45Å
407A89.1Confident88.1Confident11 Ų1155.7 Ų55.79%0.09128%0.281CS..Hα-helixtrans-63.8-34.9177.200000112.3A401 T404 L409 V410 R411A401-A407 VanDerWaalsContact O-CB 3.28Å; A401-A407 WeakPolarHBondContact O-CB 3.34Å; T404-A407 PolarHBondContact O-N 3.43Å; T404-A407 WeakPolarHBondContact OG1-CB 3.47Å; T404-A407 PolarHBondContact OG1-N 3.03Å; A407-L409 VanDerWaalsContact C-N 3.33Å; A407-L409 PolarHBondContact O-N 3.35Å; A407-V410 PolarHBondContact O-N 3.25Å; A407-R411 WeakPolarHBondContact O-CB 3.4Å; A407-R411 VanDerWaalsContact O-CG 3.31Å; A407-R411 WeakPolarHBondContact O-CG 3.37Å; A407-R411 PolarHBondContact O-N 3.01Å; A407-R411 PolarHBondContact O-NE 3.37Å
408S88.8Confident87.8Confident0 Ų053.3 Ų53.30%027%0.274CS..Hα-helixtrans-63.4-39174.978.60000112.6T307 T404 T405 F406 R411 A412T307-S408 PolarHBondContact O-OG 3.02Å; T404-S408 PolarHBondContact O-N 2.97Å; T405-S408 PolarHBondContact O-N 2.67Å; T405-S408 PolarHBondContact O-OG 3.34Å; F406-S408 VanDerWaalsContact C-N 3.3Å; F406-S408 PolarHBondContact O-N 2.94Å; S408-R411 PolarHBondContact O-N 3.41Å; S408-A412 PolarHBondContact O-N 3.46Å
409L87.7Confident87.4Confident38 Ų3853.5 Ų53.520%0.19928%0.28CS..Hα-helixtrans-66.2-45.9174.3-67.4173000112.1F16 T307 T405 F406 A407 R411 A412 D413F16-L409 HydrophobicContact CE2-CB 4.43Å; T307-L409 WeakPolarHBondContact OG1-CD2 3.48Å; T405-L409 WeakPolarHBondContact O-CG 3.32Å; T405-L409 PolarHBondContact O-N 2.94Å; F406-L409 PolarHBondContact O-N 2.89Å; A407-L409 VanDerWaalsContact C-N 3.33Å; A407-L409 PolarHBondContact O-N 3.35Å; L409-R411 VanDerWaalsContact C-N 3.28Å; L409-R411 PolarHBondContact O-N 3.46Å; L409-A412 WeakPolarHBondContact O-CB 3.49Å; L409-A412 PolarHBondContact O-N 2.92Å; L409-A412 VanDerWaalsContact O-N 3.11Å; L409-D413 PolarHBondContact O-N 2.92Å
410V89.6Confident87.1Confident63 Ų6355.4 Ų55.438%0.38229%0.29SS..Hα-helixtrans-60.4-39.9177.2173.50000111.1F406 A407 D413 W414F406-V410 HydrophobicContact CD1-CG2 4.12Å; F406-V410 HydrophobicContact CE1-CG2 3.65Å; F406-V410 HydrophobicContact CE2-CG2 4.3Å; F406-V410 HydrophobicContact CZ-CG2 3.75Å; F406-V410 WeakPolarHBondContact O-CG2 2.88Å; F406-V410 PolarHBondContact O-N 3.45Å; A407-V410 PolarHBondContact O-N 3.25Å; V410-D413 PolarHBondContact O-N 3.26Å; V410-W414 WeakPolarHBondContact O-CB 3.33Å; V410-W414 PolarHBondContact O-N 3.09Å
411R89.2Confident87Confident24 Ų2451.2 Ų51.29%0.09129%0.285CS..Hα-helixtrans-62.1-45.2173.6-75.6-176.4-76117.8-11.4111.5E309 F319 A407 S408 L409 D413 W414 T415E309-R411 IonicContact OE1-CZ 3.84Å; E309-R411 IonicContact OE1-NH1 2.68Å; E309-R411 PolarHBondContact OE1-NH1 3.24Å; E309-R411 IonicContact OE1-NH2 2.71Å; E309-R411 PolarHBondContact OE1-NH2 3.38Å; F319-R411 VanDerWaalsContact CD2-CZ 3.47Å; A407-R411 WeakPolarHBondContact O-CB 3.4Å; A407-R411 VanDerWaalsContact O-CG 3.31Å; A407-R411 WeakPolarHBondContact O-CG 3.37Å; A407-R411 PolarHBondContact O-N 3.01Å; A407-R411 PolarHBondContact O-NE 3.37Å; S408-R411 PolarHBondContact O-N 3.41Å; L409-R411 VanDerWaalsContact C-N 3.28Å; L409-R411 PolarHBondContact O-N 3.46Å; R411-D413 PolarHBondContact O-N 3.32Å; R411-W414 PolarHBondContact O-N 2.77Å; R411-T415 WeakPolarHBondContact O-CG2 3.35Å; R411-T415 PolarHBondContact O-N 2.87Å; R411-T415 PolarHBondContact O-OG1 3.04Å
412A83.8Confident86.9Confident13 Ų1352.9 Ų52.911%0.10730%0.299CS..Hα-helixtrans-60-46.917700000111.3S408 L409 W414 T415 F416S408-A412 PolarHBondContact O-N 3.46Å; L409-A412 WeakPolarHBondContact O-CB 3.49Å; L409-A412 PolarHBondContact O-N 2.92Å; L409-A412 VanDerWaalsContact O-N 3.11Å; A412-W414 VanDerWaalsContact C-N 3.35Å; A412-W414 PolarHBondContact O-N 3.39Å; A412-T415 PolarHBondContact O-N 3.23Å; A412-T415 PolarHBondContact O-OG1 3.07Å; A412-F416 PolarHBondContact O-N 3.26Å
413D87Confident87Confident11 Ų1155.5 Ų55.56%0.05931%0.312CS..Hα-helixtrans-61.6-42.5176.8-70.1-20.1000111.7F16 A19 R20 L409 V410 R411 T415 F416 Y417F16-D413 WeakPolarHBondContact CD2-OD2 3.29Å; F16-D413 WeakPolarHBondContact CE2-OD2 3.49Å; A19-D413 HydrophobicContact CB-CB 4.46Å; A19-D413 WeakPolarHBondContact CB-OD1 3.43Å; R20-D413 IonicContact CZ-OD1 3.91Å; R20-D413 IonicContact NE-OD1 2.68Å; R20-D413 IonicContact NE-OD2 3.59Å; R20-D413 IonicContact NH2-OD1 3.62Å; R20-D413 PolarHBondContact NH2-OD1 3.1Å; R20-D413 IonicContact NH2-OD2 3.77Å; L409-D413 PolarHBondContact O-N 2.92Å; V410-D413 PolarHBondContact O-N 3.26Å; R411-D413 PolarHBondContact O-N 3.32Å; D413-T415 PolarHBondContact O-N 3.24Å; D413-F416 WeakPolarHBondContact O-CB 3.4Å; D413-F416 PolarHBondContact O-N 3.03Å; D413-Y417 WeakPolarHBondContact O-CD2 3.4Å; D413-Y417 PolarHBondContact O-N 3.04Å
414W87.4Confident87Confident136 Ų13655.9 Ų55.952%0.51531%0.311SS..Hα-helixtrans-59.9-45.3175179.7-101.2000112V410 R411 A412 F416 Y417 S418V410-W414 WeakPolarHBondContact O-CB 3.33Å; V410-W414 PolarHBondContact O-N 3.09Å; R411-W414 PolarHBondContact O-N 2.77Å; A412-W414 VanDerWaalsContact C-N 3.35Å; A412-W414 PolarHBondContact O-N 3.39Å; W414-F416 VanDerWaalsContact C-N 3.29Å; W414-F416 PolarHBondContact O-N 2.78Å; W414-Y417 PolarHBondContact O-N 3.43Å; W414-S418 VanDerWaalsContact O-CB 3.27Å; W414-S418 WeakPolarHBondContact O-CB 3.1Å; W414-S418 PolarHBondContact O-N 2.66Å; W414-S418 PolarHBondContact O-OG 2.8Å
415T83.4Confident86.9Confident40 Ų4058.3 Ų58.325%0.24532%0.322CS..Hα-helixtrans-63.1-36.6176.161.40000111.9T318 R411 A412 D413 S418 S419T318-T415 HydrophobicContact CG2-CG2 4.46Å; R411-T415 WeakPolarHBondContact O-CG2 3.35Å; R411-T415 PolarHBondContact O-N 2.87Å; R411-T415 PolarHBondContact O-OG1 3.04Å; A412-T415 PolarHBondContact O-N 3.23Å; A412-T415 PolarHBondContact O-OG1 3.07Å; D413-T415 PolarHBondContact O-N 3.24Å; T415-S418 WeakPolarHBondContact CA-OG 3.48Å; T415-S418 PolarHBondContact O-OG 3.5Å; T415-S419 PolarHBondContact O-N 3.26Å; T415-S419 PolarHBondContact O-OG 2.91Å
416F84.3Confident87.1Confident78 Ų7857.5 Ų57.534%0.34232%0.32SS..Hα-helixtrans-63.8-50.3175.6175.2-100.4000112.3A412 D413 W414 S419 H420A412-F416 PolarHBondContact O-N 3.26Å; D413-F416 WeakPolarHBondContact O-CB 3.4Å; D413-F416 PolarHBondContact O-N 3.03Å; W414-F416 VanDerWaalsContact C-N 3.29Å; W414-F416 PolarHBondContact O-N 2.78Å; F416-S419 PolarHBondContact O-N 2.93Å; F416-S419 PolarHBondContact O-OG 3.27Å; F416-H420 PolarHBondContact O-N 2.94Å; F416-H420 PolarHBondContact O-ND1 3.47Å; F416-H420 VanDerWaalsContact O-ND1 3.07Å
417Y86.4Confident87.2Confident13 Ų1353.6 Ų53.65%0.05131%0.305CS..Hα-helixtrans-69.9-37.4-180-74-65.1000113.2L15 L18 A19 D413 W414 S419 H420L15-Y417 HydrophobicContact CB-CE2 4.14Å; L15-Y417 HydrophobicContact CD2-CE1 3.95Å; L15-Y417 HydrophobicContact CD2-CE2 4.38Å; L15-Y417 PolarHBondContact O-OH 2.74Å; L18-Y417 VanDerWaalsContact CD2-OH 3.32Å; L18-Y417 WeakPolarHBondContact CD2-OH 3.48Å; A19-Y417 HydrophobicContact CB-CE2 4.08Å; A19-Y417 PolarHBondContact N-OH 3.27Å; D413-Y417 WeakPolarHBondContact O-CD2 3.4Å; D413-Y417 PolarHBondContact O-N 3.04Å; W414-Y417 PolarHBondContact O-N 3.43Å; Y417-S419 PolarHBondContact O-N 2.99Å; Y417-H420 CarbonylContact O-C 3.54Å; Y417-H420 PolarHBondContact O-N 3.25Å
418S83.6Confident87.3Confident72 Ų7253.4 Ų53.450%0.50330%0.302SS..Hα-helixtrans-62.6-30.4175.365.20000112.4W414 T415 H420W414-S418 VanDerWaalsContact O-CB 3.27Å; W414-S418 WeakPolarHBondContact O-CB 3.1Å; W414-S418 PolarHBondContact O-N 2.66Å; W414-S418 PolarHBondContact O-OG 2.8Å; T415-S418 WeakPolarHBondContact CA-OG 3.48Å; T415-S418 PolarHBondContact O-OG 3.5Å; S418-H420 VanDerWaalsContact C-N 3.28Å; S418-H420 PolarHBondContact O-N 2.92Å
419S80.9Confident87.5Confident60 Ų6056.7 Ų56.742%0.4232%0.32SS..THydrogen-bonded Turntrans-75.8-13.817475.70000114.1T415 F416 Y417T415-S419 PolarHBondContact O-N 3.26Å; T415-S419 PolarHBondContact O-OG 2.91Å; F416-S419 PolarHBondContact O-N 2.93Å; F416-S419 PolarHBondContact O-OG 3.27Å; Y417-S419 PolarHBondContact O-N 2.99Å
420H84.9Confident87.7Confident58 Ų5857.2 Ų57.227%0.26933%0.329SS..  trans-130.471.5179.3-57.297.3000111.1K88 F416 Y417 S418 A422 L423 F424K88-H420 PolarHBondContact NZ-CE1 3.46Å; K88-H420 PolarHBondContact NZ-NE2 3.48Å; F416-H420 PolarHBondContact O-N 2.94Å; F416-H420 PolarHBondContact O-ND1 3.47Å; F416-H420 VanDerWaalsContact O-ND1 3.07Å; Y417-H420 CarbonylContact O-C 3.54Å; Y417-H420 PolarHBondContact O-N 3.25Å; S418-H420 VanDerWaalsContact C-N 3.28Å; S418-H420 PolarHBondContact O-N 2.92Å; H420-A422 PolarHBondContact O-N 3.31Å; H420-A422 VanDerWaalsContact O-N 3.16Å; H420-L423 HydrophobicContact CB-CB 4.12Å; H420-L423 HydrophobicContact CB-CD1 3.81Å; H420-L423 HydrophobicContact CB-CG 4.07Å; H420-L423 PolarHBondContact O-N 2.87Å; H420-F424 PolarHBondContact O-N 3.48Å
421P87.4Confident87.8Confident93 Ų9355.1 Ų55.160%0.60432%0.315SS*.Hα-helixtrans-60.2-31.3-175.423.5-34.2000113.2F424 L425P421-F424 PolarHBondContact O-N 3.14Å; P421-L425 WeakPolarHBondContact O-CB 3.35Å; P421-L425 PolarHBondContact O-N 3.03Å
422A88.3Confident87.8Confident78 Ų7854 Ų5465%0.64531%0.311SS*.Hα-helixtrans-65.1-39.117700000112.7H420 S426H420-A422 PolarHBondContact O-N 3.31Å; H420-A422 VanDerWaalsContact O-N 3.16Å; A422-S426 VanDerWaalsContact O-CB 3.23Å; A422-S426 WeakPolarHBondContact O-CB 3.48Å; A422-S426 PolarHBondContact O-N 3.26Å
423L88.6Confident88.1Confident84 Ų8458.3 Ų58.344%0.4433%0.332SS..Hα-helixtrans-68.5-42.1176.8-68.7179.7000111H420 S426 T427H420-L423 HydrophobicContact CB-CB 4.12Å; H420-L423 HydrophobicContact CB-CD1 3.81Å; H420-L423 HydrophobicContact CB-CG 4.07Å; H420-L423 PolarHBondContact O-N 2.87Å; L423-S426 PolarHBondContact O-N 2.92Å; L423-T427 VanDerWaalsContact O-CG2 3.31Å; L423-T427 WeakPolarHBondContact O-CG2 3.35Å; L423-T427 PolarHBondContact O-N 3.3Å; L423-T427 PolarHBondContact O-OG1 3.36Å
424F89.4Confident88.2Confident45 Ų4562.3 Ų62.320%0.19735%0.353CS..Hα-helixtrans-60-48.3175.3-177.8-99.1000111.4Y11 L15 L340 H420 P421 S426 T427 Y428Y11-F424 AromaticContact CE1-CE2 3.95Å; Y11-F424 HydrophobicContact CE1-CE2 3.95Å; Y11-F424 HydrophobicContact CE1-CZ 4.11Å; Y11-F424 PolarHBondContact OH-O 3.31Å; Y11-F424 VanDerWaalsContact OH-O 3.14Å; L15-F424 HydrophobicContact CD1-CD2 4.01Å; L15-F424 HydrophobicContact CD1-CE2 3.7Å; L340-F424 HydrophobicContact CD1-CZ 4.39Å; L340-F424 HydrophobicContact CD2-CE1 4.42Å; H420-F424 PolarHBondContact O-N 3.48Å; P421-F424 PolarHBondContact O-N 3.14Å; F424-S426 PolarHBondContact O-N 3.07Å; F424-T427 PolarHBondContact O-N 2.65Å; F424-T427 PolarHBondContact O-OG1 2.83Å; F424-Y428 WeakPolarHBondContact O-CB 3.41Å; F424-Y428 PolarHBondContact O-N 2.69Å
425L88.8Confident88.3Confident102 Ų10256.4 Ų56.453%0.53433%0.331SS..Hα-helixtrans-64.9-41.8178.6-173.165.2000112.3P421 Y428 L429P421-L425 WeakPolarHBondContact O-CB 3.35Å; P421-L425 PolarHBondContact O-N 3.03Å; L425-Y428 PolarHBondContact O-N 2.9Å; L425-L429 HydrophobicContact CG-CD1 4.25Å; L425-L429 VanDerWaalsContact O-CG 3.3Å; L425-L429 WeakPolarHBondContact O-CG 3.4Å; L425-L429 PolarHBondContact O-N 3.05Å
426S91.1Very high88.4Confident74 Ų7455 Ų5552%0.51732%0.322SS..Hα-helixtrans-62.3-46.7178.8177.30000112.1A422 L423 F424 Y428 L429 A430A422-S426 VanDerWaalsContact O-CB 3.23Å; A422-S426 WeakPolarHBondContact O-CB 3.48Å; A422-S426 PolarHBondContact O-N 3.26Å; L423-S426 PolarHBondContact O-N 2.92Å; F424-S426 PolarHBondContact O-N 3.07Å; S426-Y428 VanDerWaalsContact C-N 3.33Å; S426-Y428 PolarHBondContact O-N 3.48Å; S426-L429 PolarHBondContact O-N 3.07Å; S426-A430 WeakPolarHBondContact O-CB 3.46Å; S426-A430 PolarHBondContact O-N 3.4Å
427T91.9Very high88.5Confident33 Ų3357.6 Ų57.620%0.20233%0.331CS..Hα-helixtrans-65-37.3177.654.40000112Y11 L15 L18 L423 F424 A430 H431Y11-T427 PolarHBondContact OH-OG1 3.17Å; Y11-T427 VanDerWaalsContact OH-OG1 3.14Å; L15-T427 HydrophobicContact CD2-CG2 4.47Å; L18-T427 HydrophobicContact CD2-CG2 4.47Å; L423-T427 VanDerWaalsContact O-CG2 3.31Å; L423-T427 WeakPolarHBondContact O-CG2 3.35Å; L423-T427 PolarHBondContact O-N 3.3Å; L423-T427 PolarHBondContact O-OG1 3.36Å; F424-T427 PolarHBondContact O-N 2.65Å; F424-T427 PolarHBondContact O-OG1 2.83Å; T427-A430 PolarHBondContact O-N 2.97Å; T427-H431 WeakPolarHBondContact O-CB 3.3Å; T427-H431 PolarHBondContact O-N 3.46Å
428Y91.8Very high88.5Confident6 Ų663.3 Ų63.32%0.02436%0.356CS..Hα-helixtrans-63.7-47175.1-175-97.7000112.2Y11 L340 W343 M344 F347 F424 L425 S426 H431 G432Y11-Y428 HydrophobicContact CD1-CD2 4.05Å; Y11-Y428 AromaticContact CE1-CD2 3.71Å; Y11-Y428 HydrophobicContact CE1-CD2 3.71Å; Y11-Y428 HydrophobicContact CE2-CD2 4.26Å; Y11-Y428 HydrophobicContact CG-CD2 4.45Å; Y11-Y428 AromaticContact CZ-CD2 3.82Å; Y11-Y428 PolarHBondContact OH-N 2.72Å; L340-Y428 HydrophobicContact CD2-CD2 4.43Å; L340-Y428 HydrophobicContact CD2-CE2 4.07Å; L340-Y428 PolarHBondContact O-OH 2.83Å; W343-Y428 HydrophobicContact CB-CE1 4.1Å; M344-Y428 HydrophobicContact CE-CD2 4.05Å; M344-Y428 HydrophobicContact CE-CE2 3.17Å; M344-Y428 VanDerWaalsContact CE-CZ 3.46Å; M344-Y428 WeakPolarHBondContact CE-OH 3.46Å; M344-Y428 WeakPolarHBondContact CG-OH 3.31Å; M344-Y428 PolarHBondContact N-OH 3.29Å; M344-Y428 HydrophobicContact SD-CE2 4.28Å; M344-Y428 PolarHBondContact SD-OH 3.35Å; M344-Y428 VanDerWaalsContact SD-OH 3.41Å; F347-Y428 HydrophobicContact CE2-CE1 4.28Å; F424-Y428 WeakPolarHBondContact O-CB 3.41Å; F424-Y428 PolarHBondContact O-N 2.69Å; L425-Y428 PolarHBondContact O-N 2.9Å; S426-Y428 VanDerWaalsContact C-N 3.33Å; S426-Y428 PolarHBondContact O-N 3.48Å; Y428-H431 PolarHBondContact O-N 3.29Å; Y428-G432 PolarHBondContact O-N 3.26Å
429L91.3Very high88.4Confident70 Ų7061.1 Ų61.137%0.36634%0.337SS..Hα-helixtrans-62.5-42.6176.3-70.6175.7000111.4F347 L425 S426 G432 L433F347-L429 HydrophobicContact CZ-CD2 3.87Å; L425-L429 HydrophobicContact CG-CD1 4.25Å; L425-L429 VanDerWaalsContact O-CG 3.3Å; L425-L429 WeakPolarHBondContact O-CG 3.4Å; L425-L429 PolarHBondContact O-N 3.05Å; S426-L429 PolarHBondContact O-N 3.07Å; L429-G432 PolarHBondContact O-N 3.43Å; L429-L433 WeakPolarHBondContact O-CB 3.29Å; L429-L433 VanDerWaalsContact O-CG 3.3Å; L429-L433 WeakPolarHBondContact O-CG 3.33Å; L429-L433 PolarHBondContact O-N 2.92Å
430A92.1Very high88.3Confident48 Ų4865.2 Ų65.240%0.39734%0.344SS..Hα-helixtrans-61.6-44.6176.400000111.8S426 T427 L433 L434S426-A430 WeakPolarHBondContact O-CB 3.46Å; S426-A430 PolarHBondContact O-N 3.4Å; T427-A430 PolarHBondContact O-N 2.97Å; A430-L433 PolarHBondContact O-N 3.22Å; A430-L434 WeakPolarHBondContact O-CG 3.43Å; A430-L434 PolarHBondContact O-N 2.83Å
431H91.8Very high88.1Confident19 Ų1968.7 Ų68.79%0.08836%0.358CS..Hα-helixtrans-60.8-44.7174.3-178.273.1000112.1F7 Y11 T427 Y428 L433 L434 I435F7-H431 PolarHBondContact O-NE2 3.03Å; Y11-H431 HydrophobicContact CD2-CB 3.78Å; Y11-H431 AromaticContact CD2-CD2 3.87Å; Y11-H431 AromaticContact CD2-CG 3.78Å; Y11-H431 HydrophobicContact CE2-CB 4.26Å; T427-H431 WeakPolarHBondContact O-CB 3.3Å; T427-H431 PolarHBondContact O-N 3.46Å; Y428-H431 PolarHBondContact O-N 3.29Å; H431-L433 PolarHBondContact O-N 3.44Å; H431-L434 WeakPolarHBondContact O-CB 3.38Å; H431-L434 PolarHBondContact O-N 2.86Å; H431-I435 WeakPolarHBondContact NE2-CD1 3.35Å; H431-I435 WeakPolarHBondContact O-CG1 3.38Å; H431-I435 PolarHBondContact O-N 3.21Å
432G89.6Confident87.6Confident0 Ų072.7 Ų72.70%036%0.361CS..Hα-helixtrans-60.1-42.9174.900000113F347 Y428 L429 I435 D436F347-G432 WeakPolarHBondContact CB-O 3.47Å; F347-G432 WeakPolarHBondContact CD1-O 3.33Å; F347-G432 WeakPolarHBondContact CG-O 3.21Å; Y428-G432 PolarHBondContact O-N 3.26Å; L429-G432 PolarHBondContact O-N 3.43Å; G432-I435 PolarHBondContact O-N 2.9Å; G432-D436 PolarHBondContact O-N 3.37Å
433L90.3Very high86.4Confident105 Ų10572.6 Ų72.655%0.5535%0.347SS..Hα-helixtrans-66.6-36175.9-71.4175.6000112.6F347 L429 A430 H431 I435 D436 Y437F347-L433 HydrophobicContact CE1-CD2 4.2Å; F347-L433 HydrophobicContact CE1-CG 4.3Å; L429-L433 WeakPolarHBondContact O-CB 3.29Å; L429-L433 VanDerWaalsContact O-CG 3.3Å; L429-L433 WeakPolarHBondContact O-CG 3.33Å; L429-L433 PolarHBondContact O-N 2.92Å; A430-L433 PolarHBondContact O-N 3.22Å; H431-L433 PolarHBondContact O-N 3.44Å; L433-I435 VanDerWaalsContact C-N 3.34Å; L433-D436 PolarHBondContact O-N 3.32Å; L433-Y437 WeakPolarHBondContact O-CB 3.4Å; L433-Y437 PolarHBondContact O-N 3Å
434L90Very high84.9Confident95 Ų9573.7 Ų73.750%0.49736%0.361SS..Hα-helixtrans-62.8-42.6172.4-73.9171.7000111A430 H431 Y437 F438A430-L434 WeakPolarHBondContact O-CG 3.43Å; A430-L434 PolarHBondContact O-N 2.83Å; H431-L434 WeakPolarHBondContact O-CB 3.38Å; H431-L434 PolarHBondContact O-N 2.86Å; L434-Y437 WeakPolarHBondContact O-CB 3.29Å; L434-Y437 PolarHBondContact O-N 2.85Å; L434-F438 WeakPolarHBondContact O-CD2 3.31Å; L434-F438 PolarHBondContact O-N 3.3Å
435I87.8Confident83.2Confident11 Ų1175 Ų756%0.05639%0.388CS..Hα-helixtrans-62.3-48.2174.9-66.5165.7000110.7F7 M344 I348 H431 G432 L433 Y437 F438 E439F7-I435 HydrophobicContact CB-CD1 3.84Å; F7-I435 HydrophobicContact CD1-CD1 4.12Å; F7-I435 HydrophobicContact CD1-CG1 4.36Å; F7-I435 HydrophobicContact CD2-CD1 4.31Å; F7-I435 HydrophobicContact CD2-CG2 4.39Å; F7-I435 HydrophobicContact CE2-CG2 4.13Å; F7-I435 HydrophobicContact CG-CD1 3.87Å; F7-I435 HydrophobicContact CG-CG1 4.5Å; F7-I435 HydrophobicContact CZ-CG2 4.39Å; M344-I435 HydrophobicContact SD-CD1 4.42Å; I348-I435 HydrophobicContact CG1-CG2 4.47Å; H431-I435 WeakPolarHBondContact NE2-CD1 3.35Å; H431-I435 WeakPolarHBondContact O-CG1 3.38Å; H431-I435 PolarHBondContact O-N 3.21Å; G432-I435 PolarHBondContact O-N 2.9Å; L433-I435 VanDerWaalsContact C-N 3.34Å; I435-Y437 PolarHBondContact O-N 3.36Å; I435-F438 PolarHBondContact O-N 3.13Å; I435-E439 HydrophobicContact CG2-CG 4.32Å; I435-E439 WeakPolarHBondContact O-CB 3.45Å; I435-E439 PolarHBondContact O-N 3.12Å
436D86.4Confident81.6Confident11 Ų1175.7 Ų75.76%0.05940%0.396CS..Hα-helixtrans-57.8-39.6175.8-176.943.8000110.7F347 R356 G432 L433 R440F347-D436 HydrophobicContact CB-CB 4.49Å; R356-D436 IonicContact CZ-OD1 3.13Å; R356-D436 IonicContact NH1-OD1 3.21Å; R356-D436 IonicContact NH1-OD2 3.74Å; R356-D436 PolarHBondContact NH1-OD2 3.29Å; R356-D436 IonicContact NH2-OD1 3.91Å; R356-D436 PolarHBondContact NH2-OD1 2.87Å; R356-D436 IonicContact NH2-OD2 3.05Å; G432-D436 PolarHBondContact O-N 3.37Å; L433-D436 PolarHBondContact O-N 3.32Å; D436-R440 WeakPolarHBondContact O-CB 3.18Å; D436-R440 WeakPolarHBondContact O-CG 3.35Å; D436-R440 PolarHBondContact O-N 3Å; D436-R440 IonicContact OD1-CZ 3.25Å; D436-R440 IonicContact OD1-NE 3.36Å; D436-R440 PolarHBondContact OD1-NE 3.41Å; D436-R440 IonicContact OD1-NH2 2.74Å; D436-R440 IonicContact OD2-CZ 3.4Å; D436-R440 VanDerWaalsContact OD2-CZ 3.25Å; D436-R440 IonicContact OD2-NE 2.79Å; D436-R440 PolarHBondContact OD2-NE 2.83Å; D436-R440 VanDerWaalsContact OD2-NE 3.13Å; D436-R440 IonicContact OD2-NH2 3.22Å; D436-R440 PolarHBondContact OD2-NH2 3.19Å
437Y87.1Confident79.4Confident133 Ų13378.1 Ų78.152%0.52239%0.394SS..Hα-helixtrans-63.6-48.5175.3175.6-96.7000112.8L433 L434 I435 R440 K441L433-Y437 WeakPolarHBondContact O-CB 3.4Å; L433-Y437 PolarHBondContact O-N 3Å; L434-Y437 WeakPolarHBondContact O-CB 3.29Å; L434-Y437 PolarHBondContact O-N 2.85Å; I435-Y437 PolarHBondContact O-N 3.36Å; Y437-R440 PolarHBondContact O-N 3.48Å; Y437-K441 HydrophobicContact CE1-CD 4.31Å; Y437-K441 WeakPolarHBondContact O-CB 3.41Å; Y437-K441 PolarHBondContact O-N 2.74Å
438F85.4Confident77Confident132 Ų13284.2 Ų84.258%0.57943%0.425SS*.Hα-helixtrans-65-40.2178.5-79.5-66.2000112.1L434 I435 K441 R442L434-F438 WeakPolarHBondContact O-CD2 3.31Å; L434-F438 PolarHBondContact O-N 3.3Å; I435-F438 PolarHBondContact O-N 3.13Å; F438-K441 PolarHBondContact O-N 3.4Å; F438-R442 WeakPolarHBondContact O-CB 3.31Å; F438-R442 PolarHBondContact O-N 2.8Å
439E81.3Confident74.7Confident26 Ų2692.2 Ų92.212%0.12146%0.463CS..Hα-helixtrans-64.6-42.1175.6-78.7-64.1160.300111.6I435 R442 H443I435-E439 HydrophobicContact CG2-CG 4.32Å; I435-E439 WeakPolarHBondContact O-CB 3.45Å; I435-E439 PolarHBondContact O-N 3.12Å; E439-R442 PolarHBondContact O-N 3.05Å; E439-H443 PolarHBondContact O-N 3.49Å; E439-H443 PolarHBondContact O-ND1 3.29Å; E439-H443 IonicContact OE2-CE1 3.29Å; E439-H443 PolarHBondContact OE2-CE1 3.36Å; E439-H443 VanDerWaalsContact OE2-CE1 3.29Å; E439-H443 IonicContact OE2-ND1 3.54Å
440R79.9Confident72.6Confident146 Ų14696 Ų9655%0.55148%0.479SS*.Hα-helixtrans-61.2-43.8172.4-75.2175.6-167.3-154.69.9111.9D436 Y437 H443 C444D436-R440 WeakPolarHBondContact O-CB 3.18Å; D436-R440 WeakPolarHBondContact O-CG 3.35Å; D436-R440 PolarHBondContact O-N 3Å; D436-R440 IonicContact OD1-CZ 3.25Å; D436-R440 IonicContact OD1-NE 3.36Å; D436-R440 PolarHBondContact OD1-NE 3.41Å; D436-R440 IonicContact OD1-NH2 2.74Å; D436-R440 IonicContact OD2-CZ 3.4Å; D436-R440 VanDerWaalsContact OD2-CZ 3.25Å; D436-R440 IonicContact OD2-NE 2.79Å; D436-R440 PolarHBondContact OD2-NE 2.83Å; D436-R440 VanDerWaalsContact OD2-NE 3.13Å; D436-R440 IonicContact OD2-NH2 3.22Å; D436-R440 PolarHBondContact OD2-NH2 3.19Å; Y437-R440 PolarHBondContact O-N 3.48Å; R440-H443 PolarHBondContact O-N 3.32Å; R440-C444 PolarHBondContact O-N 2.93Å
441K80.6Confident70.4Confident131 Ų13198.8 Ų98.857%0.5749%0.487SS*.Hα-helixtrans-66.2-40.6179.4-173.2175.1-179.3177.50112.1Y437 F438 H443 C444Y437-K441 HydrophobicContact CE1-CD 4.31Å; Y437-K441 WeakPolarHBondContact O-CB 3.41Å; Y437-K441 PolarHBondContact O-N 2.74Å; F438-K441 PolarHBondContact O-N 3.4Å; K441-H443 PolarHBondContact O-N 3.47Å; K441-C444 PolarHBondContact O-N 2.67Å
442R75.7Confident68.3Low177 Ų177102.4 Ų102.467%0.66851%0.514SS*.Hα-helixtrans-57.8-37.6175.4-176-179.1-177.3176.82.6112F438 E439F438-R442 WeakPolarHBondContact O-CB 3.31Å; F438-R442 PolarHBondContact O-N 2.8Å; E439-R442 PolarHBondContact O-N 3.05Å
443H64.4Low66.1Low76 Ų76107.6 Ų107.635%0.35255%0.546SS..Hα-helixtrans-93.9-7.6-178-66.981.2000113.8Q350 E439 R440 K441 G445 T446Q350-H443 PolarHBondContact NE2-ND1 2.88Å; E439-H443 PolarHBondContact O-N 3.49Å; E439-H443 PolarHBondContact O-ND1 3.29Å; E439-H443 IonicContact OE2-CE1 3.29Å; E439-H443 PolarHBondContact OE2-CE1 3.36Å; E439-H443 VanDerWaalsContact OE2-CE1 3.29Å; E439-H443 IonicContact OE2-ND1 3.54Å; R440-H443 PolarHBondContact O-N 3.32Å; K441-H443 PolarHBondContact O-N 3.47Å; H443-G445 PolarHBondContact O-N 3.37Å; H443-T446 CarbonylContact O-C 3.54Å; H443-T446 PolarHBondContact O-N 3.21Å
444C55.8Low64.5Low107 Ų107105.7 Ų105.772%0.72354%0.539SS*.THydrogen-bonded Turntrans-68.5-14.6173.7-159.50000112.6R440 K441 T446R440-C444 PolarHBondContact O-N 2.93Å; K441-C444 PolarHBondContact O-N 2.67Å; C444-T446 PolarHBondContact O-N 3.44Å
445G53.6Low62.7Low74 Ų74104.5 Ų104.576%0.76353%0.533SS*.THydrogen-bonded Turntrans-74.1-8.6166.500000114.3H443H443-G445 PolarHBondContact O-N 3.37Å
446T55.6Low61.1Low116 Ų116110.9 Ų110.971%0.71257%0.567SS**SBendtrans-141.933.9-168.3-18.70000113.7H443 C444H443-T446 CarbonylContact O-C 3.54Å; H443-T446 PolarHBondContact O-N 3.21Å; C444-T446 PolarHBondContact O-N 3.44Å
447R44.8Very low59.8Low124 Ų124117 Ų11747%0.46860%0.595SS.*  trans-150.4100.2168.7-154.1136.178.3129.72.5114.6E450 N451R447-E450 PolarHBondContact NH1-O 2.88Å; R447-N451 VanDerWaalsContact CZ-OD1 3.24Å; R447-N451 PolarHBondContact NH1-OD1 3.14Å; R447-N451 VanDerWaalsContact NH2-CG 3.35Å; R447-N451 PolarHBondContact NH2-ND2 3.27Å; R447-N451 PolarHBondContact NH2-OD1 3.13Å
448N41.5Very low58.4Low162 Ų162113 Ų11387%0.86658%0.579SS**SBendtrans-103.7140.7141.6-89.1-17.8000107.4
449Q43.3Very low57Low173 Ų173110 Ų11081%0.80857%0.568SS**SBendtrans77.4146175.8-117.3125.7-0.500117
450E47.6Very low56.1Low151 Ų151111.1 Ų111.171%0.70658%0.582SS**  trans81.870.3179.7-53-178.7-176.700117.7R447R447-E450 PolarHBondContact NH1-O 2.88Å
451N46.5Very low55.2Low106 Ų106107.3 Ų107.357%0.56758%0.578SS**  trans-154.374.4157.5-73.9-48.1000111.6R447R447-N451 VanDerWaalsContact CZ-OD1 3.24Å; R447-N451 PolarHBondContact NH1-OD1 3.14Å; R447-N451 VanDerWaalsContact NH2-CG 3.35Å; R447-N451 PolarHBondContact NH2-ND2 3.27Å; R447-N451 PolarHBondContact NH2-OD1 3.13Å
452S46.8Very low54Low95 Ų95102.2 Ų102.266%0.66456%0.557SS**SBendtrans-156.5-30.3157.156.80000113.8N455S452-N455 PolarHBondContact O-ND2 3.15Å
453T44.3Very low53.3Low108 Ų108102 Ų10266%0.66356%0.556SS**THydrogen-bonded Turntrans-85.8-22.7-176.249.80000115.1N455T453-N455 VanDerWaalsContact C-N 3.27Å; T453-N455 PolarHBondContact O-N 2.79Å
454T55.7Low52.9Low65 Ų65103.5 Ų103.540%0.39957%0.567SS.*Hα-helixtrans-77.10.7-17459.10000115.6W458T454-W458 WeakPolarHBondContact O-CB 3.29Å; T454-W458 PolarHBondContact O-N 3.43Å
455N51.8Low53Low70 Ų70102.3 Ų102.337%0.37455%0.547SS..Hα-helixtrans-84-36.3-170.2-68.4-55.8000113.4S452 T453S452-N455 PolarHBondContact O-ND2 3.15Å; T453-N455 VanDerWaalsContact C-N 3.27Å; T453-N455 PolarHBondContact O-N 2.79Å
456L54.2Low52.7Low146 Ų146105 Ų10576%0.76454%0.535SS*.Hα-helixtrans-81.1-39.6177.7-80.7160.8000111.5W458 L459 A460L456-W458 PolarHBondContact O-N 3.25Å; L456-L459 PolarHBondContact O-N 2.96Å; L456-A460 WeakPolarHBondContact O-CB 3.42Å; L456-A460 PolarHBondContact O-N 3.47Å
457E60Low52.4Low139 Ų139101.7 Ų101.765%0.6552%0.515SS*.Hα-helixtrans-62.3-41.4177.8-71.3175.5165.700112.5S461E457-S461 WeakPolarHBondContact O-CB 3.46Å; E457-S461 PolarHBondContact O-N 3.32Å
458W57.6Low52.9Low48 Ų4898.4 Ų98.418%0.18251%0.511CS..Hα-helixtrans-69.7-39.4178.5173.181.5000112.2K355 V358 V359 T454 L456 S461 L462K355-W458 HydrophobicContact CB-CD2 4.12Å; K355-W458 HydrophobicContact CB-CE3 3.74Å; K355-W458 HydrophobicContact CB-CH2 3.61Å; K355-W458 HydrophobicContact CB-CZ2 3.84Å; K355-W458 HydrophobicContact CB-CZ3 3.49Å; K355-W458 VanDerWaalsContact CB-CZ3 3.49Å; K355-W458 HydrophobicContact CD-CD2 3.67Å; K355-W458 HydrophobicContact CD-CE3 4.12Å; K355-W458 HydrophobicContact CD-CG 4.06Å; K355-W458 HydrophobicContact CD-CZ2 4.06Å; K355-W458 HydrophobicContact CG-CD2 3.91Å; K355-W458 HydrophobicContact CG-CE3 4.07Å; K355-W458 HydrophobicContact CG-CH2 3.8Å; K355-W458 HydrophobicContact CG-CZ2 3.44Å; K355-W458 VanDerWaalsContact CG-CZ2 3.44Å; K355-W458 HydrophobicContact CG-CZ3 4.03Å; V358-W458 HydrophobicContact CB-CH2 3.84Å; V358-W458 HydrophobicContact CG1-CH2 4.11Å; V358-W458 HydrophobicContact CG2-CH2 4.17Å; V359-W458 HydrophobicContact CG2-CZ2 4.37Å; T454-W458 WeakPolarHBondContact O-CB 3.29Å; T454-W458 PolarHBondContact O-N 3.43Å; L456-W458 PolarHBondContact O-N 3.25Å; W458-S461 PolarHBondContact O-N 3.44Å; W458-S461 PolarHBondContact O-OG 3.23Å; W458-L462 HydrophobicContact CH2-CD1 3.48Å; W458-L462 VanDerWaalsContact CH2-CD1 3.48Å; W458-L462 HydrophobicContact CZ2-CD1 2.98Å; W458-L462 HydrophobicContact CZ2-CG 4.33Å; W458-L462 WeakPolarHBondContact O-CB 3.4Å; W458-L462 PolarHBondContact O-N 3.26Å
459L55.8Low53.1Low69 Ų6999 Ų9936%0.36150%0.502SS..Hα-helixtrans-65.8-41.5175.5-85.2171.4000111.9V354 L456 L462 W463V354-L459 HydrophobicContact CG1-CD1 4.28Å; V354-L459 HydrophobicContact CG1-CD2 3.77Å; L456-L459 PolarHBondContact O-N 2.96Å; L459-L462 PolarHBondContact O-N 2.94Å; L459-W463 WeakPolarHBondContact O-CB 3.37Å; L459-W463 PolarHBondContact O-N 3.02Å
460A62.9Low53.2Low51 Ų5196.3 Ų96.342%0.42149%0.492SS..Hα-helixtrans-60.4-46.4172.900000111.2L456 L462 W463 D464L456-A460 WeakPolarHBondContact O-CB 3.42Å; L456-A460 PolarHBondContact O-N 3.47Å; A460-L462 PolarHBondContact O-N 3.09Å; A460-W463 PolarHBondContact O-N 2.73Å; A460-D464 PolarHBondContact O-N 3.34Å
461S61.1Low53Low65 Ų6595.4 Ų95.446%0.45549%0.492SS..Hα-helixtrans-61.8-30.7177.379.10000113.7E457 W458 W465E457-S461 WeakPolarHBondContact O-CB 3.46Å; E457-S461 PolarHBondContact O-N 3.32Å; W458-S461 PolarHBondContact O-N 3.44Å; W458-S461 PolarHBondContact O-OG 3.23Å; S461-W465 WeakPolarHBondContact O-CB 3.37Å; S461-W465 PolarHBondContact O-N 3.41Å; S461-W465 VanDerWaalsContact O-N 3.11Å
462L55.4Low52.6Low25 Ų2595.6 Ų95.613%0.13149%0.489CS..Hα-helixtrans-86-32.8-178.5-146.8153000111.7V358 W458 L459 A460 W465 Y466V358-L462 HydrophobicContact CB-CD1 4.44Å; V358-L462 HydrophobicContact CG1-CD1 3.46Å; V358-L462 VanDerWaalsContact CG1-CD1 3.46Å; V358-L462 HydrophobicContact CG1-CD2 3.23Å; V358-L462 HydrophobicContact CG1-CG 3.97Å; W458-L462 HydrophobicContact CH2-CD1 3.48Å; W458-L462 VanDerWaalsContact CH2-CD1 3.48Å; W458-L462 HydrophobicContact CZ2-CD1 2.98Å; W458-L462 HydrophobicContact CZ2-CG 4.33Å; W458-L462 WeakPolarHBondContact O-CB 3.4Å; W458-L462 PolarHBondContact O-N 3.26Å; L459-L462 PolarHBondContact O-N 2.94Å; A460-L462 PolarHBondContact O-N 3.09Å; L462-W465 HydrophobicContact CD2-CE3 3.79Å; L462-W465 HydrophobicContact CD2-CZ3 4.1Å; L462-W465 HydrophobicContact CG-CE3 3.98Å; L462-W465 PolarHBondContact O-N 3.23Å; L462-Y466 VanDerWaalsContact O-CB 3.31Å; L462-Y466 WeakPolarHBondContact O-CB 3.42Å; L462-Y466 PolarHBondContact O-N 3.37Å
463W59.8Low52.1Low172 Ų17296.7 Ų96.765%0.65249%0.494SS*.Hα-helixtrans-62.1-46167.8-170.8-101.6000110.9L459 A460 W465 Y466 T467L459-W463 WeakPolarHBondContact O-CB 3.37Å; L459-W463 PolarHBondContact O-N 3.02Å; A460-W463 PolarHBondContact O-N 2.73Å; W463-W465 VanDerWaalsContact C-N 3.3Å; W463-W465 PolarHBondContact O-N 3.11Å; W463-Y466 PolarHBondContact O-N 2.88Å; W463-Y466 VanDerWaalsContact O-N 3.13Å; W463-T467 HydrophobicContact CD2-CG2 4.44Å; W463-T467 HydrophobicContact CG-CG2 4.45Å; W463-T467 WeakPolarHBondContact O-CG2 3.4Å; W463-T467 PolarHBondContact O-N 3.38Å; W463-T467 PolarHBondContact O-OG1 3.2Å
464D56.7Low52.1Low107 Ų10799.1 Ų99.157%0.57250%0.501SS*.Hα-helixtrans-61.1-36.1173.7-77.8-14.2000112.9A460 T467 S468A460-D464 PolarHBondContact O-N 3.34Å; D464-T467 WeakPolarHBondContact CA-OG1 3.38Å; D464-T467 PolarHBondContact O-OG1 3.23Å; D464-S468 WeakPolarHBondContact O-CB 3.41Å; D464-S468 PolarHBondContact O-N 3.28Å; D464-S468 PolarHBondContact O-OG 3.14Å
465W57.3Low51Low83 Ų83100.4 Ų100.431%0.31451%0.509SS..Hα-helixtrans-72-33.1174.2177.155.6000113.3R362 S461 L462 W463 S468 Y469R362-W465 HydrophobicContact CG-CH2 3.77Å; R362-W465 HydrophobicContact CG-CZ3 4.21Å; R362-W465 VanDerWaalsContact NH1-CH2 3.32Å; S461-W465 WeakPolarHBondContact O-CB 3.37Å; S461-W465 PolarHBondContact O-N 3.41Å; S461-W465 VanDerWaalsContact O-N 3.11Å; L462-W465 HydrophobicContact CD2-CE3 3.79Å; L462-W465 HydrophobicContact CD2-CZ3 4.1Å; L462-W465 HydrophobicContact CG-CE3 3.98Å; L462-W465 PolarHBondContact O-N 3.23Å; W463-W465 VanDerWaalsContact C-N 3.3Å; W463-W465 PolarHBondContact O-N 3.11Å; W465-S468 VanDerWaalsContact C-OG 3.28Å; W465-S468 VanDerWaalsContact CA-OG 3.29Å; W465-S468 WeakPolarHBondContact CA-OG 3.43Å; W465-S468 PolarHBondContact O-OG 2.96Å; W465-Y469 PolarHBondContact O-N 3.28Å
466Y48Very low50.2Low131 Ų131105.6 Ų105.651%0.51454%0.536SS..Hα-helixtrans-78.5-41.2-180-171.6-101.6000112.1L462 W463 S468 Y469 L470L462-Y466 VanDerWaalsContact O-CB 3.31Å; L462-Y466 WeakPolarHBondContact O-CB 3.42Å; L462-Y466 PolarHBondContact O-N 3.37Å; W463-Y466 PolarHBondContact O-N 2.88Å; W463-Y466 VanDerWaalsContact O-N 3.13Å; Y466-S468 VanDerWaalsContact C-N 3.32Å; Y466-Y469 PolarHBondContact O-N 3.28Å; Y466-L470 HydrophobicContact CD1-CD1 3.96Å; Y466-L470 HydrophobicContact CE1-CD1 3.25Å; Y466-L470 HydrophobicContact CE1-CG 4.43Å; Y466-L470 HydrophobicContact CE2-CD1 4.08Å; Y466-L470 PolarHBondContact O-N 2.92Å; Y466-L470 VanDerWaalsContact O-N 3.14Å; Y466-L470 WeakPolarHBondContact OH-CD1 3.42Å
467T49.9Very low49.2Very low46 Ų46103.7 Ų103.728%0.28253%0.53SS..Hα-helixtrans-64.4-37.5174.653.90000111.3W463 D464 Y469 L471W463-T467 HydrophobicContact CD2-CG2 4.44Å; W463-T467 HydrophobicContact CG-CG2 4.45Å; W463-T467 WeakPolarHBondContact O-CG2 3.4Å; W463-T467 PolarHBondContact O-N 3.38Å; W463-T467 PolarHBondContact O-OG1 3.2Å; D464-T467 WeakPolarHBondContact CA-OG1 3.38Å; D464-T467 PolarHBondContact O-OG1 3.23Å; T467-Y469 VanDerWaalsContact C-N 3.33Å; T467-Y469 PolarHBondContact O-N 2.79Å; T467-L471 WeakPolarHBondContact O-CB 3.33Å; T467-L471 PolarHBondContact O-N 3.42Å
468S53.8Low48Very low54 Ų54104.9 Ų104.938%0.37854%0.536SS..Hα-helixtrans-67.3-27.3173.849.60000114D464 W465 Y466 H472D464-S468 WeakPolarHBondContact O-CB 3.41Å; D464-S468 PolarHBondContact O-N 3.28Å; D464-S468 PolarHBondContact O-OG 3.14Å; W465-S468 VanDerWaalsContact C-OG 3.28Å; W465-S468 VanDerWaalsContact CA-OG 3.29Å; W465-S468 WeakPolarHBondContact CA-OG 3.43Å; W465-S468 PolarHBondContact O-OG 2.96Å; Y466-S468 VanDerWaalsContact C-N 3.32Å; S468-H472 WeakPolarHBondContact O-CB 3.33Å; S468-H472 PolarHBondContact O-N 3.38Å
469Y46Very low46.8Very low175 Ų175111.4 Ų111.469%0.68657%0.568SS**Hα-helixtrans-88.7-31.7-178.4-131.4-90.4000114.5W465 Y466 T467W465-Y469 PolarHBondContact O-N 3.28Å; Y466-Y469 PolarHBondContact O-N 3.28Å; T467-Y469 VanDerWaalsContact C-N 3.33Å; T467-Y469 PolarHBondContact O-N 2.79Å
470L46.3Very low45.5Very low116 Ų116116.7 Ų116.761%0.60759%0.589SS**Hα-helixtrans-85.7-24.1179-83.7174000113.7Y466Y466-L470 HydrophobicContact CD1-CD1 3.96Å; Y466-L470 HydrophobicContact CE1-CD1 3.25Å; Y466-L470 HydrophobicContact CE1-CG 4.43Å; Y466-L470 HydrophobicContact CE2-CD1 4.08Å; Y466-L470 PolarHBondContact O-N 2.92Å; Y466-L470 VanDerWaalsContact O-N 3.14Å; Y466-L470 WeakPolarHBondContact OH-CD1 3.42Å
471L44Very low44Very low132 Ų132120 Ų12069%0.69161%0.606SS**Hα-helixtrans-107.7-6.2-176.4-67.6156.3000113.8T467T467-L471 WeakPolarHBondContact O-CB 3.33Å; T467-L471 PolarHBondContact O-N 3.42Å
472H37.9Very low42.7Very low111 Ų111121.9 Ų121.951%0.51462%0.619SS.*  trans-127.594.7171.5-68.4-72.9000111.9S468 I474S468-H472 WeakPolarHBondContact O-CB 3.33Å; S468-H472 PolarHBondContact O-N 3.38Å; H472-I474 PolarHBondContact O-N 3.49Å; H472-I474 VanDerWaalsContact O-N 3.07Å
473P35.8Very low41.5Very low117 Ų117128.1 Ų128.176%0.7665%0.652SS**SBendtrans-67.7107.8155.329.2-25.5000106.4
474I43.2Very low40.3Very low159 Ų159128 Ų12882%0.81566%0.664SS**SBendtrans77.7102.4175.5-47.2157.9000114H472H472-I474 PolarHBondContact O-N 3.49Å; H472-I474 VanDerWaalsContact O-N 3.07Å
475T32.5Very low39.3Very low93 Ų93128.4 Ų128.457%0.57168%0.675SS**  trans-161.9105.514139.70000112.4V477T475-V477 PolarHBondContact O-N 3.38Å
476L35.3Very low38.1Very low179 Ų179132.7 Ų132.794%0.93770%0.698SS**  trans-80.268.2149.7-173.395.3000107.3
477V33Very low37.7Very low105 Ų105136.7 Ų136.764%0.63671%0.713SS**  trans-145.9103.6175.1-179.70000109.9T475T475-V477 PolarHBondContact O-N 3.38Å
478Q36.2Very low37Very low165 Ų165143 Ų14377%0.77174%0.739SS**  trans33.4120151.9-87.4161.7-48.700122.5
479Q32.4Very low36.3Very low184 Ų184147.8 Ų147.886%0.8676%0.76SS**  trans5.5110.4134.6-71.7164.8-41.600116.8
480F27.2Very low36.2Very low181 Ų181144.9 Ų144.979%0.79476%0.756SS**  trans-80.6130.5154-79.9-90000109.5
481P31.3Very low36.2Very low120 Ų120143.9 Ų143.978%0.77976%0.757SS**  trans-76.9129.6155.2018.4000108.1D483P481-D483 PolarHBondContact O-N 3.49Å
482S34.4Very low36.1Very low104 Ų104140.5 Ų140.573%0.72775%0.745SS**  trans-65.6106167.845.40000110.2
483D29.6Very low36.5Very low157 Ų157142 Ų14284%0.8475%0.75SS**  trans-154.492.6147.1-87.7-30.7000107.5P481P481-D483 PolarHBondContact O-N 3.49Å
484L36.3Very low37Very low169 Ų169141.9 Ų141.989%0.88574%0.742SS**  trans-89.7103173.9-96.3106.5000109
485S34.1Very low37Very low115 Ų115142.1 Ų142.180%0.80474%0.737SS**SBendtrans-156.512.4153.469.50000116.7
486E33Very low37.5Very low174 Ų174144.3 Ų144.381%0.81374%0.741SS**  trans-136.631.7-177.1-75.9-173156.200114.7
487W38.8Very low37.9Very low215 Ų215145.2 Ų145.281%0.81473%0.732SS**  trans-104.734.4-178.1-76.951.4000114.2
488E36.4Very low38.3Very low177 Ų177147 Ų14783%0.82774%0.737SS**  trans-12287.4156.8-67.3-174.9165.300103.7
489D39.6Very low38.6Very low156 Ų156142.2 Ų142.283%0.83473%0.726SS**SBend175.9140.7103-77.8-41.4000108.1
490D42Very low38.8Very low113 Ų113140.7 Ų140.760%0.60472%0.717SS**  trans10496.5166.9-154.76000118.2S492D490-S492 PolarHBondContact O-N 3.26Å; D490-S492 WeakPolarHBondContact OD1-CB 3.41Å; D490-S492 PolarHBondContact OD1-N 2.92Å; D490-S492 PolarHBondContact OD1-OG 2.93Å; D490-S492 VanDerWaalsContact OD1-OG 3.08Å; D490-S492 PolarHBondContact OD2-OG 3.2Å
491P46.5Very low39.3Very low96 Ų96137.4 Ų137.462%0.62371%0.714SS**THydrogen-bonded Turntrans-73.4-1.6176.128.8-32.7000114.8F493 L494P491-F493 VanDerWaalsContact C-N 3.26Å; P491-F493 PolarHBondContact O-N 2.94Å; P491-L494 PolarHBondContact O-N 2.91Å
492S43.5Very low39.7Very low61 Ų61139 Ų13943%0.42772%0.716SS.*Hα-helixtrans-64-29.6177.8700000113.2D490 L494 F495D490-S492 PolarHBondContact O-N 3.26Å; D490-S492 WeakPolarHBondContact OD1-CB 3.41Å; D490-S492 PolarHBondContact OD1-N 2.92Å; D490-S492 PolarHBondContact OD1-OG 2.93Å; D490-S492 VanDerWaalsContact OD1-OG 3.08Å; D490-S492 PolarHBondContact OD2-OG 3.2Å; S492-L494 VanDerWaalsContact C-N 3.33Å; S492-L494 PolarHBondContact O-N 3.17Å; S492-F495 PolarHBondContact O-N 3.47Å
493F44.4Very low40.1Very low141 Ų141141 Ų14162%0.61872%0.717SS**Hα-helixtrans-71.2-23.7-176.9-135.3-92.4000114P491P491-F493 VanDerWaalsContact C-N 3.26Å; P491-F493 PolarHBondContact O-N 2.94Å
494L47.2Very low40.6Very low115 Ų115144 Ų14460%0.60272%0.717SS**Hα-helixtrans-74.9-35.3178.5-73.6170.7000112.1P491 S492 L498P491-L494 PolarHBondContact O-N 2.91Å; S492-L494 VanDerWaalsContact C-N 3.33Å; S492-L494 PolarHBondContact O-N 3.17Å; L494-L498 WeakPolarHBondContact O-CG 3.39Å; L494-L498 PolarHBondContact O-N 3.36Å
495F42.5Very low41Very low164 Ų164143.2 Ų143.272%0.71971%0.713SS**Hα-helixtrans-71.3-34.6178.8-89.4-79000112.3S492 L498 A499S492-F495 PolarHBondContact O-N 3.47Å; F495-L498 PolarHBondContact O-N 3.46Å; F495-A499 PolarHBondContact O-N 3.35Å
496E44.6Very low41.4Very low140 Ų140144.1 Ų144.165%0.65470%0.704SS**Hα-helixtrans-71.3-31.2179.6-158.5164.5-168.500112.4
497R42.7Very low41.8Very low198 Ų198139.9 Ų139.975%0.74769%0.692SS**Hα-helixtrans-81.7-21.7174.9-69.7-176.794.1168.74.4114.4
498L42.5Very low42.4Very low142 Ų142138.3 Ų138.374%0.74370%0.698SS**Hα-helixtrans-81.1-18.1171.9-71.6170.7000112.7L494 F495 F500L494-L498 WeakPolarHBondContact O-CG 3.39Å; L494-L498 PolarHBondContact O-N 3.36Å; F495-L498 PolarHBondContact O-N 3.46Å; L498-F500 VanDerWaalsContact C-N 3.33Å; L498-F500 PolarHBondContact O-N 2.94Å
499A40.7Very low43.4Very low64 Ų64131.3 Ų131.353%0.52967%0.668SS.*SBendtrans-76.8-13-177.300000114.5F495F495-A499 PolarHBondContact O-N 3.35Å
500F37Very low44.3Very low153 Ų153128.9 Ų128.967%0.67166%0.655SS**  trans-137.5101.9177.6-64.8-81000111.3L498 D502L498-F500 VanDerWaalsContact C-N 3.33Å; L498-F500 PolarHBondContact O-N 2.94Å; F500-D502 PolarHBondContact O-N 2.92Å; F500-D502 VanDerWaalsContact O-N 3.15Å
501P37.7Very low45.4Very low112 Ų112126.8 Ų126.873%0.72765%0.646SS**  trans-74.4103.8170.528.2-28.5000108.9L503P501-L503 PolarHBondContact O-N 2.74Å
502D40.7Very low46.4Very low153 Ų153127.3 Ų127.382%0.81864%0.643SS**  trans-71.459.8173.4-81.5-26000111.3F500 W504F500-D502 PolarHBondContact O-N 2.92Å; F500-D502 VanDerWaalsContact O-N 3.15Å; D502-W504 PolarHBondContact O-N 3.32Å
503L41.4Very low47.9Very low146 Ų146126 Ų12676%0.76463%0.63SS**  trans-95.842.8-178.7-155.595.1000112.2P501P501-L503 PolarHBondContact O-N 2.74Å
504W41.7Very low49.3Very low220 Ų220120 Ų12083%0.83360%0.604SS**SBendtrans-147.3106.3173.2-73.186.6000113.1D502D502-W504 PolarHBondContact O-N 3.32Å
505L43.7Very low50.5Low153 Ų153121.6 Ų121.680%0.80161%0.613SS**  trans44.679.2150-64.3163.7000117.5P507L505-P507 WeakPolarHBondContact O-CD 3.38Å
506H42.7Very low52Low134 Ų134118.3 Ų118.362%0.6261%0.61SS**  trans-85.7116.5151-72.9-45.5000109L508 W665H506-L508 PolarHBondContact O-N 3.46Å; H506-W665 AromaticContact CE1-CZ3 3.65Å; H506-W665 AromaticContact NE2-CH2 3.96Å; H506-W665 AromaticContact NE2-CZ3 3.99Å
507P42.2Very low53.8Low84 Ų84112.3 Ų112.355%0.54558%0.583SS.*  trans-59.8137.7171.524.3-30.6000108.6L505 V509L505-P507 WeakPolarHBondContact O-CD 3.38Å; P507-V509 HydrophobicContact CG-CG2 4.19Å; P507-V509 WeakPolarHBondContact O-CG2 3.14Å; P507-V509 PolarHBondContact O-N 2.91Å
508L50.9Low55.6Low182 Ų182105.7 Ų105.795%0.95357%0.565SS**  trans-64.387.9169.5-70.3166.9000107.7H506 N510H506-L508 PolarHBondContact O-N 3.46Å; L508-N510 PolarHBondContact O-N 3.16Å
509V57.3Low57.6Low30 Ų30102.3 Ų102.318%0.18255%0.55CS.*  trans-75.1113.1177.9-173.10000107P507 V511 Y513 Y674P507-V509 HydrophobicContact CG-CG2 4.19Å; P507-V509 WeakPolarHBondContact O-CG2 3.14Å; P507-V509 PolarHBondContact O-N 2.91Å; V509-V511 PolarHBondContact O-N 3.23Å; V509-Y513 HydrophobicContact CG1-CD1 3.96Å; V509-Y513 HydrophobicContact CG1-CE1 3.5Å; V509-Y513 VanDerWaalsContact CG1-CE1 3.5Å; V509-Y674 HydrophobicContact CB-CD1 4.5Å; V509-Y674 HydrophobicContact CG1-CD1 3.68Å; V509-Y674 HydrophobicContact CG1-CE1 4.12Å; V509-Y674 HydrophobicContact CG1-CG 4.1Å; V509-Y674 HydrophobicContact CG2-CD1 4.11Å; V509-Y674 HydrophobicContact CG2-CE1 3.66Å
510N58.7Low59.6Low106 Ų106100.8 Ų100.857%0.56753%0.531SS*.  trans-57.8127.6176.5-174.80.3000109.8L508 D512 Y513L508-N510 PolarHBondContact O-N 3.16Å; N510-D512 PolarHBondContact ND2-OD2 3.26Å; N510-D512 PolarHBondContact O-N 3.08Å; N510-D512 VanDerWaalsContact O-N 3.16Å; N510-D512 VanDerWaalsContact OD1-CG 3.3Å; N510-D512 PolarHBondContact OD1-N 3.5Å; N510-D512 PolarHBondContact OD1-OD2 3.36Å; N510-Y513 WeakPolarHBondContact O-CD1 3.43Å
511V65.8Low61.7Low69 Ų6998.7 Ų98.742%0.41852%0.521SS..G310 helixtrans-71-9-170.9-170.50000112.6V509 Y513 L514V509-V511 PolarHBondContact O-N 3.23Å; V511-Y513 PolarHBondContact O-N 3.13Å; V511-L514 HydrophobicContact CG1-CD1 3.33Å; V511-L514 HydrophobicContact CG1-CG 3.84Å; V511-L514 WeakPolarHBondContact O-CB 3.28Å; V511-L514 WeakPolarHBondContact O-CG 3.34Å; V511-L514 PolarHBondContact O-N 2.83Å
512D67.8Low63.6Low107 Ų10793.6 Ų93.657%0.57249%0.488SS*.G310 helixtrans-54.9-26.6-178.3-67.4-21.6000114.4N510 L514 N515N510-D512 PolarHBondContact ND2-OD2 3.26Å; N510-D512 PolarHBondContact O-N 3.08Å; N510-D512 VanDerWaalsContact O-N 3.16Å; N510-D512 VanDerWaalsContact OD1-CG 3.3Å; N510-D512 PolarHBondContact OD1-N 3.5Å; N510-D512 PolarHBondContact OD1-OD2 3.36Å; D512-L514 PolarHBondContact O-N 2.88Å; D512-N515 PolarHBondContact O-N 2.85Å
513Y73.4Confident64.9Low34 Ų3490.6 Ų90.613%0.13347%0.468CS..G310 helixtrans-67.7-18.7178.175.7-86.8000113.6V509 N510 V511 N515 S516 H664 S673V509-Y513 HydrophobicContact CG1-CD1 3.96Å; V509-Y513 HydrophobicContact CG1-CE1 3.5Å; V509-Y513 VanDerWaalsContact CG1-CE1 3.5Å; N510-Y513 WeakPolarHBondContact O-CD1 3.43Å; V511-Y513 PolarHBondContact O-N 3.13Å; Y513-N515 PolarHBondContact O-N 3.25Å; Y513-S516 WeakPolarHBondContact O-CB 3.38Å; Y513-S516 PolarHBondContact O-N 3.19Å; Y513-S516 PolarHBondContact O-OG 3.08Å; Y513-H664 AromaticContact CZ-ND1 3.92Å; Y513-H664 PolarHBondContact OH-ND1 2.76Å; Y513-S673 WeakPolarHBondContact CE2-OG 3.43Å; Y513-S673 PolarHBondContact OH-OG 3.02Å
514L75.1Confident65.7Low14 Ų1484.4 Ų84.47%0.07344%0.436CS..G310 helixtrans-59.4-34177.7-67-172.7000112.1V511 D512 S516 L517 L659V511-L514 HydrophobicContact CG1-CD1 3.33Å; V511-L514 HydrophobicContact CG1-CG 3.84Å; V511-L514 WeakPolarHBondContact O-CB 3.28Å; V511-L514 WeakPolarHBondContact O-CG 3.34Å; V511-L514 PolarHBondContact O-N 2.83Å; D512-L514 PolarHBondContact O-N 2.88Å; L514-S516 PolarHBondContact O-N 2.71Å; L514-L517 HydrophobicContact CD2-CD1 3.95Å; L514-L517 PolarHBondContact O-N 3.24Å; L514-L659 HydrophobicContact CD1-CB 4.33Å; L514-L659 HydrophobicContact CD2-CB 3.92Å; L514-L659 HydrophobicContact CD2-CD1 3.28Å; L514-L659 HydrophobicContact CD2-CG 4.2Å
515N72.4Confident66.3Low148 Ų14877.9 Ų77.979%0.79142%0.42SS*.G310 helixtrans-70.4-14.9177.3-64.2-32.3000113D512 Y513D512-N515 PolarHBondContact O-N 2.85Å; Y513-N515 PolarHBondContact O-N 3.25Å
516S73.7Confident66.3Low95 Ų9576.7 Ų76.766%0.66441%0.414SS*.G310 helixtrans-97.3-2.8-17971.60000113.9Y513 L514Y513-S516 WeakPolarHBondContact O-CB 3.38Å; Y513-S516 PolarHBondContact O-N 3.19Å; Y513-S516 PolarHBondContact O-OG 3.08Å; L514-S516 PolarHBondContact O-N 2.71Å
517L81.1Confident66.1Low15 Ų1577.2 Ų77.28%0.07942%0.417CS..SBendtrans-75.9142.7179.9-68.3172.8000111.3L514 T519 M642 L644 P645 L659L514-L517 HydrophobicContact CD2-CD1 3.95Å; L514-L517 PolarHBondContact O-N 3.24Å; L517-T519 PolarHBondContact O-N 3.03Å; L517-M642 HydrophobicContact CB-CE 4.47Å; L517-M642 HydrophobicContact CB-CG 4.03Å; L517-M642 HydrophobicContact CB-SD 4.2Å; L517-M642 HydrophobicContact CD1-CG 4.34Å; L517-M642 HydrophobicContact CD1-SD 3.82Å; L517-L644 HydrophobicContact CD1-CD2 3.86Å; L517-L644 HydrophobicContact CD2-CD2 4.49Å; L517-P645 HydrophobicContact CD2-CG 4.06Å; L517-L659 HydrophobicContact CD1-CD1 4.42Å
518P81.2Confident65.4Low59 Ų5981.9 Ų81.938%0.38343%0.431SS..  trans-66.7127.2-179.526.6-33.5000110.9M622 G643P518-M622 HydrophobicContact CG-CE 3.59Å; P518-G643 WeakPolarHBondContact CD-O 3.16Å; P518-G643 PolarHBondContact O-N 3.4Å
519T84.6Confident64.3Low70 Ų7079 Ų7943%0.42943%0.426SS..EExtended strand (participates in β ladder)trans-121.2136.1173.657.20000110.7L517 L641 M642L517-T519 PolarHBondContact O-N 3.03Å; T519-L641 CarbonylContact C-O 3.6Å; T519-L641 WeakPolarHBondContact CA-O 3.44Å; T519-L641 WeakPolarHBondContact CB-O 3.45Å; T519-M642 HydrophobicContact CG2-CB 4.08Å; T519-M642 HydrophobicContact CG2-CE 3.84Å; T519-M642 HydrophobicContact CG2-CG 4.2Å
520W83.1Confident62.8Low33 Ų3386.2 Ų86.213%0.12546%0.457CS..EExtended strand (participates in β ladder)trans-141.1163.4174.667.499.5000110.3W618 P619 M622 L641 A649W520-W618 HydrophobicContact CZ2-CD2 4.09Å; W520-W618 AromaticContact CZ2-CE2 3.68Å; W520-W618 HydrophobicContact CZ2-CE3 4.38Å; W520-W618 HydrophobicContact CZ2-CH2 4.01Å; W520-W618 AromaticContact CZ2-CZ2 3.67Å; W520-W618 HydrophobicContact CZ2-CZ2 3.67Å; W520-W618 HydrophobicContact CZ2-CZ3 4.35Å; W520-W618 AromaticContact NE1-CE3 3.72Å; W520-W618 AromaticContact NE1-CZ3 3.87Å; W520-P619 HydrophobicContact CD2-CG 3.63Å; W520-P619 HydrophobicContact CE3-CG 3.65Å; W520-P619 HydrophobicContact CG-CG 4.15Å; W520-P619 HydrophobicContact CH2-CG 4.21Å; W520-P619 HydrophobicContact CZ2-CG 4.2Å; W520-P619 HydrophobicContact CZ3-CG 3.95Å; W520-M622 HydrophobicContact CH2-CB 4.09Å; W520-M622 HydrophobicContact CH2-CG 3.63Å; W520-M622 HydrophobicContact CH2-SD 4.1Å; W520-M622 HydrophobicContact CZ2-CG 4.45Å; W520-M622 HydrophobicContact CZ3-CG 3.96Å; W520-M622 HydrophobicContact CZ3-SD 4.36Å; W520-L641 HydrophobicContact CD2-CB 4.47Å; W520-L641 HydrophobicContact CZ2-CB 4.24Å; W520-L641 HydrophobicContact CZ2-CD1 4.43Å; W520-L641 PolarHBondContact N-O 3.27Å; W520-L641 VanDerWaalsContact N-O 3.09Å; W520-L641 PolarHBondContact O-N 2.95Å; W520-A649 HydrophobicContact CH2-CB 3.61Å; W520-A649 HydrophobicContact CZ2-CB 3.72Å
521K81.2Confident61.2Low108 Ų10887 Ų8747%0.4747%0.471SS..EExtended strand (participates in β ladder)trans-97.9138.4175-68.7-175.1171-167.70110.2E638 E639 L640K521-E638 WeakPolarHBondContact CD-OE2 3.15Å; K521-E638 IonicContact NZ-OE2 2.69Å; K521-E638 PolarHBondContact NZ-OE2 3.01Å; K521-E639 WeakPolarHBondContact CA-O 3.27Å; K521-L640 HydrophobicContact CD-CD2 4.4Å; K521-L640 HydrophobicContact CG-CD2 3.54Å; K521-L640 HydrophobicContact CG-CG 4.16Å
522V77Confident59.3Low5 Ų589.6 Ų89.63%0.0349%0.487CS..  trans-87.7135.9175.3169.30000110.7T524 V613 W618 F635 E638 E639 L641V522-T524 HydrophobicContact CG1-CG2 4.2Å; V522-V613 HydrophobicContact CG1-CG1 3.85Å; V522-W618 HydrophobicContact CG2-CE3 4.49Å; V522-W618 HydrophobicContact CG2-CZ3 3.75Å; V522-F635 HydrophobicContact CG1-CB 4.42Å; V522-E638 WeakPolarHBondContact O-CA 3.47Å; V522-E638 PolarHBondContact O-N 3.44Å; V522-E639 PolarHBondContact N-O 3.37Å; V522-E639 VanDerWaalsContact N-O 3.11Å; V522-L641 HydrophobicContact CG2-CD1 3.28Å; V522-L641 HydrophobicContact CG2-CG 3.68Å
523K68.2Low57.1Low90 Ų9089.9 Ų89.939%0.39150%0.497SS..  trans-105.7126.4165.9-64.6-174-161.9141.90111N614 E617 N637K523-N614 WeakPolarHBondContact O-CB 3.21Å; K523-N614 PolarHBondContact O-N 2.67Å; K523-E617 VanDerWaalsContact CD-OE2 3.28Å; K523-E617 WeakPolarHBondContact CD-OE2 3.21Å; K523-E617 WeakPolarHBondContact CE-OE2 3.34Å; K523-E617 WeakPolarHBondContact CG-OE2 3.49Å; K523-E617 IonicContact NZ-OE1 2.92Å; K523-E617 PolarHBondContact NZ-OE1 2.83Å; K523-E617 IonicContact NZ-OE2 2.69Å; K523-E617 PolarHBondContact NZ-OE2 3.46Å; K523-N637 VanDerWaalsContact CA-OD1 3.23Å; K523-N637 WeakPolarHBondContact CA-OD1 3.43Å
524T59Low54.7Low16 Ų1693.7 Ų93.710%0.09853%0.528CS..EExtended strand (participates in β ladder)trans-99.9144.5172.961.80000110.5V522 N611 V613 N637V522-T524 HydrophobicContact CG1-CG2 4.2Å; T524-N611 HydrophobicContact CG2-CB 4.36Å; T524-V613 HydrophobicContact CG2-CG2 4.39Å; T524-N637 PolarHBondContact N-OD1 3.41Å; T524-N637 VanDerWaalsContact OG1-CB 3.31Å; T524-N637 WeakPolarHBondContact OG1-CB 3.22Å
525V54.3Low52.3Low83 Ų8398.4 Ų98.450%0.50356%0.557SS.*EExtended strand (participates in β ladder)trans-95.7121.1174.3-178.90000107.9Q527 Q612 N614V525-Q527 PolarHBondContact O-N 3.43Å; V525-Q612 PolarHBondContact N-O 3.47Å; V525-Q612 VanDerWaalsContact N-O 3.13Å; V525-N614 HydrophobicContact CG2-CB 4.21Å
526L42.8Very low50Low128 Ų12898.8 Ų98.867%0.6755%0.553SS**  trans-80.8109173.6-15288000108.7
527Q39Very low47.7Very low146 Ų146101.2 Ų101.268%0.68255%0.554SS**  trans-93.6107174.4-157.8163.21.300109.6V525 C529V525-Q527 PolarHBondContact O-N 3.43Å; Q527-C529 PolarHBondContact O-N 3.02Å
528Q27.8Very low44.9Very low181 Ų181106.9 Ų106.985%0.84659%0.585SS**  trans-75.3116.4171.2-90.5172.7-3500109.9
529C27.1Very low42.2Very low123 Ų123111.9 Ų111.983%0.83160%0.603SS**  trans-93.7113.9165.3-74.30000109.5Q527Q527-C529 PolarHBondContact O-N 3.02Å
530Q25.5Very low39.4Very low180 Ų180116.1 Ų116.184%0.84162%0.618SS**  trans-73.1126.1169-76.8175.2-23.600109.9
531S24.3Very low36.4Very low123 Ų123121.1 Ų121.186%0.8665%0.647SS**  trans-79.5119.5165.654.50000109.5
532V26.4Very low33.7Very low124 Ų124127.2 Ų127.275%0.75267%0.667SS**  trans-115.9122.7169.9-177.90000109.1
533S22.2Very low31Very low112 Ų112134.9 Ų134.978%0.78371%0.707SS**  trans-72.2144.7176.322.30000112.2
534C22.9Very low29.3Very low115 Ų115135.4 Ų135.478%0.77772%0.72SS**  trans-83.5157.3163.1-42.50000107.7
535V24.5Very low27.5Very low113 Ų113139.5 Ų139.569%0.68575%0.749SS**  -174.9156.162.71750000109.7
536H23.2Very low26Very low156 Ų156141.8 Ų141.872%0.72276%0.758SS**  trans142.3136.5136.2-78.7-69.1000110.5
537Q25.9Very low25.1Very low146 Ų146142.7 Ų142.768%0.68276%0.762SS**  cis-174.9165.2-4.5-139.6169.5-32.200109.5
538D23.2Very low24.2Very low134 Ų134142.1 Ų142.172%0.71776%0.764SS**  trans113.1131.8142-67.7-22.4000123.9
539E25Very low23.9Very low164 Ų164137.5 Ų137.577%0.76675%0.751SS**  trans69.4139160.7-71.7-172.2140.900121.3
540Q23.8Very low23.7Very low158 Ų158139.5 Ų139.574%0.73875%0.748SS**  cis-168.2157.5-19.2-133.9162.330.300107.9
541D21.7Very low23.6Very low139 Ų139138.8 Ų138.874%0.74374%0.744SS**  trans93.1114.7157.6-80.80.2000124.9
542R23Very low23.4Very low235 Ų235139.7 Ų139.789%0.88774%0.739SS**  trans99102.5149.1-65.6-172.8-176.2-167.21.2120.8
543L21.8Very low23.2Very low167 Ų167139.3 Ų139.387%0.87474%0.737SS**  trans-70.1173.7165.8-74.3115.5000114.3
544P32.6Very low23.2Very low101 Ų101141.3 Ų141.366%0.65674%0.739SS**  cis-129.7177.9-31.833.6-16.6000113.1
545S21Very low23.1Very low102 Ų102140.2 Ų140.271%0.71373%0.733SS**  trans72.6138.1158.473.40000116.1
546N21.2Very low23.7Very low131 Ų131140.2 Ų140.270%0.70174%0.738SS**  cis-158.6148.720.6-111.4-22.4000108.9
547I24.2Very low23.8Very low146 Ų146137.6 Ų137.675%0.74974%0.735SS**  19.1117.9124.1-55.7164.2000114.7
548N21Very low23.9Very low134 Ų134136.5 Ų136.572%0.71774%0.74SS**  173.1164.9100.5-156.59000110.3
549C22Very low23.9Very low85 Ų85135.1 Ų135.157%0.57474%0.741SS**  trans95.6127.6153.8-55.70000116.4
550Q23.2Very low23.9Very low164 Ų164135.9 Ų135.977%0.76675%0.75SS**  cis-165.5151.2-4.4-124.1151.7-7.900108.6
551E21.7Very low24Very low165 Ų165134.4 Ų134.477%0.77175%0.747SS**  trans-53.4162.9174.1-59.5161134.100114
552L21.5Very low24Very low143 Ų143138 Ų13875%0.74975%0.75SS**  trans135.2119.8131.9-73.9150.8000113.3
553T22.3Very low24.1Very low116 Ų116134.5 Ų134.571%0.71275%0.748SS**  trans5198.2135.462.50000116
554D20.7Very low24.3Very low153 Ų153132 Ų13282%0.81874%0.741SS**  52.2113.772.7-1388.6000112.9
555S22.7Very low23.8Very low92 Ų92137.9 Ų137.964%0.64375%0.752SS**  trans62.8109.8170.476.10000116.7
556S35.3Very low23.9Very low114 Ų114138.5 Ų138.580%0.79776%0.756SS**  -60.4138.1121.354.20000105
557P26Very low24Very low101 Ų101136.8 Ų136.866%0.65675%0.754SS**  -146.2-16610245.5-27.8000108.2
558P28.1Very low23.9Very low122 Ų122136.8 Ų136.879%0.79276%0.755SS**  -93.4169.1-127.3918.4000107.9
559S22.6Very low23.9Very low106 Ų106140.6 Ų140.674%0.74176%0.76SS**  trans-133.5104.2152.246.60000108.4
560L26.2Very low23.9Very low180 Ų180142.8 Ų142.894%0.94277%0.765SS**  -115.6106.4117.2-105.5100.9000107.6
561N24.9Very low23.9Very low127 Ų127142.5 Ų142.568%0.67976%0.764SS**  trans-82.7133.2162.9-117.4-24.2000107.9
562R22.7Very low23.8Very low215 Ų215140.6 Ų140.681%0.81176%0.759SS**  trans54.2120.8130.5-115.9179.8-102.7-137.7-9.2118.6
563L24.6Very low23.8Very low161 Ų161140.1 Ų140.184%0.84376%0.762SS**  trans-54.4149.7139.1-75.3164000108.9
564P26.3Very low24Very low113 Ų113139.6 Ų139.673%0.73476%0.764SS**  -144.3147.991.832.4-14000114.6
565Y22.9Very low24Very low226 Ų226138.1 Ų138.189%0.88677%0.765SS**  trans39.2109.9137.4-133.1-92.3000118.1
566S21.4Very low24.3Very low114 Ų114138.5 Ų138.580%0.79777%0.768SS**  -172.7150.6127.538.90000112.1
567S23.4Very low23.7Very low95 Ų95141.9 Ų141.966%0.66477%0.771SS**  trans-47.5156.8176.251.10000117.5
568L22.2Very low23.9Very low146 Ų146146.5 Ų146.576%0.76478%0.781SS**  trans120.1124.7145.9-74.3142.8000115.3
569R21.8Very low23.6Very low215 Ų215147.5 Ų147.581%0.81179%0.785SS**  trans31.6127.6134-77.9-174.2-180180-1.6116.7
570D21.1Very low23.9Very low130 Ų130149.9 Ų149.970%0.69579%0.789SS**  -173.7158.155.8-98-37.5000110.3
571Q23.4Very low24Very low158 Ų158147.1 Ų147.174%0.73878%0.782SS**  trans33135.7144.6-82.7172-7.800123.8
572D20.4Very low24.1Very low125 Ų125146.8 Ų146.867%0.66879%0.79SS**  trans93.1116136.1-64.3-12.9000122.6
573T21.2Very low24.2Very low133 Ų133141.6 Ų141.682%0.81679%0.785SS**  trans78.2143.8133.953.90000122.2
574S25.9Very low24.4Very low106 Ų106139.6 Ų139.674%0.74178%0.784SS**  trans-53.2143.6177.251.10000116.5
575S21.8Very low24.4Very low121 Ų121136.4 Ų136.485%0.84676%0.763SS**  153.4160.5122.259.40000113.8
576S28.3Very low24.7Very low101 Ų101135.1 Ų135.171%0.70676%0.758SS**  trans-55.9145.7-172.851.50000119
577Q22.8Very low24.8Very low184 Ų184139.7 Ų139.786%0.8676%0.758SS**  163.4149.8117.4-89.8177.6-6.400113.8
578F29.5Very low25Very low199 Ų199141.2 Ų141.287%0.87376%0.759SS**  trans-23.5140.7171.4-76.2-101000119
579V22.3Very low25.2Very low143 Ų143142.5 Ų142.587%0.86776%0.758SS**  trans-167.2140.3133.1171.20000111
580N29.2Very low25.4Very low155 Ų155136.9 Ų136.983%0.82975%0.752SS**  trans-56.9158.5172.2-96.3-21.4000115.5
581P28.2Very low25.6Very low122 Ų122140.4 Ų140.479%0.79276%0.761SS**  trans-131.8136.8140.733.3-18.1000114.9
582S26.6Very low25.8Very low120 Ų120141 Ų14184%0.83976%0.764SS**  trans-64.4146.2171.845.50000114.1
583C25.7Very low26Very low106 Ų106141.5 Ų141.572%0.71676%0.76SS**  trans-132.8142.9162.2-154.10000112
584C29.2Very low26.3Very low120 Ų120140.7 Ų140.781%0.81176%0.755SS**  trans-75.2111.7-155-57.90000117.3
585C26.2Very low26.5Very low45 Ų45139 Ų13930%0.30474%0.738SS.*  trans-140.213.3157.4-59.60000114R587 L668C585-R587 PolarHBondContact O-N 3.46Å; C585-L668 VanDerWaalsContact SG-CD2 3.51Å
586Y27.2Very low26.7Very low199 Ų199144.2 Ų144.278%0.7874%0.739SS**  trans-97.689.4176-126.6-89.8000109.6
587R25Very low26.7Very low211 Ų211146.7 Ų146.780%0.79674%0.737SS**  trans-105.6101.2165.2-164172.8-174-179.71.4108C585 K589C585-R587 PolarHBondContact O-N 3.46Å; R587-K589 PolarHBondContact O-N 3.24Å
588N26.9Very low27.3Very low127 Ų127145.5 Ų145.568%0.67974%0.736SS**  trans-58.1102.8168.9-92.5-12.5000109.3S590N588-S590 PolarHBondContact O-N 3.23Å
589K25.7Very low27.7Very low172 Ų172146 Ų14675%0.74874%0.741SS**  trans-88.383.8157.6-92.6-176.8177.1175.10108.4R587R587-K589 PolarHBondContact O-N 3.24Å
590S26.7Very low28.3Very low97 Ų97146.1 Ų146.168%0.67874%0.737SS**  trans-71.7122.3153.746.60000108.5N588N588-S590 PolarHBondContact O-N 3.23Å
591F26.4Very low28.8Very low204 Ų204142.2 Ų142.290%0.89573%0.733SS**  trans43.3101.6158.8-78.8-93.8000118.5
592Q25.9Very low29Very low171 Ų171140.9 Ų140.980%0.79973%0.727SS**  trans-9594.4159-138.3170.66.100108.9
593K26.3Very low29.2Very low136 Ų136139.9 Ų139.959%0.59171%0.71SS**  trans-74115.7168.5-168.8-179.4-179-123.70107.5D595K593-D595 WeakPolarHBondContact CE-OD1 3.41Å; K593-D595 IonicContact NZ-OD1 3.19Å; K593-D595 PolarHBondContact NZ-OD1 3.35Å; K593-D595 IonicContact NZ-OD2 2.79Å; K593-D595 PolarHBondContact NZ-OD2 2.93Å
594V27.3Very low29.5Very low116 Ų116141.8 Ų141.870%0.70371%0.712SS**  trans-95.597.4173.9179.60000107.8
595D28.8Very low29.4Very low71 Ų71141.2 Ų141.238%0.3871%0.71SS.*  trans-87.7113.1171.3-70-31.9000108.6K593 F597K593-D595 WeakPolarHBondContact CE-OD1 3.41Å; K593-D595 IonicContact NZ-OD1 3.19Å; K593-D595 PolarHBondContact NZ-OD1 3.35Å; K593-D595 IonicContact NZ-OD2 2.79Å; K593-D595 PolarHBondContact NZ-OD2 2.93Å; D595-F597 HydrophobicContact CB-CE2 4.4Å
596R27.5Very low29.6Very low229 Ų229145 Ų14586%0.86473%0.731SS**PPolyproline II helixtrans-95.4123.1166-87.9-177.4168.8166.8-2.6108.4
597F27.6Very low29.8Very low153 Ų153139.2 Ų139.267%0.67173%0.732SS**PPolyproline II helixtrans-97.5118.6168.3-78.4-85.8000110.4D595D595-F597 HydrophobicContact CB-CE2 4.4Å
598L36.1Very low30.1Very low160 Ų160135.2 Ų135.284%0.83873%0.731SS**PPolyproline II helixtrans-97.8156.4152-84.3156.3000107.1D600L598-D600 PolarHBondContact O-N 3.35Å
599E36.2Very low30.5Very low209 Ų209134.1 Ų134.198%0.97773%0.733SS**SBendtrans-5916.5-167.2-76.5-165143.300118
600D34.6Very low31.3Very low146 Ų146131.7 Ų131.778%0.78173%0.732SS**SBendtrans-139.568.6174.6-140.23000111.5L598 S602L598-D600 PolarHBondContact O-N 3.35Å; D600-S602 VanDerWaalsContact C-N 3.3Å; D600-S602 PolarHBondContact O-N 3.44Å; D600-S602 PolarHBondContact O-OG 3.4Å; D600-S602 VanDerWaalsContact O-OG 3.1Å
601G39.9Very low32.4Very low72 Ų72130 Ų13074%0.74272%0.716SS**  trans49.414.1144.500000122.4
602S32.6Very low33.8Very low95 Ų95126.4 Ų126.466%0.66470%0.702SS**  trans-117.6132.5-175.450.90000113.4D600D600-S602 VanDerWaalsContact C-N 3.3Å; D600-S602 PolarHBondContact O-N 3.44Å; D600-S602 PolarHBondContact O-OG 3.4Å; D600-S602 VanDerWaalsContact O-OG 3.1Å
603I32Very low35.4Very low98 Ų98118.9 Ų118.950%0.50367%0.668SS.*  trans-105.4122.6179.5-59.8173.4000109.2
604I30.9Very low37.3Very low146 Ų146115.1 Ų115.175%0.74965%0.654SS**  trans-100122.5164.7-61.8175.4000108V606I604-V606 HydrophobicContact CG2-CG2 4.2Å
605S28.6Very low39.1Very low109 Ų109115 Ų11576%0.76264%0.641SS**  trans-87.9108.3170.647.40000109.9
606V30.2Very low40.8Very low124 Ų124116.2 Ų116.275%0.75266%0.655SS**  trans-91107.2167-178.30000107.3I604 V608I604-V606 HydrophobicContact CG2-CG2 4.2Å; V606-V608 PolarHBondContact O-N 2.94Å
607G30.6Very low42.5Very low78 Ų78109.9 Ų109.980%0.80464%0.635SS**PPolyproline II helixtrans-71.4121.2173.300000110.6
608V31.7Very low44.8Very low126 Ų126103.8 Ų103.876%0.76461%0.608SS**PPolyproline II helixtrans-91.4126.9170.1179.40000108.2V606V606-V608 PolarHBondContact O-N 2.94Å
609S34.7Very low46.8Very low104 Ų10498.1 Ų98.173%0.72758%0.58SS**PPolyproline II helixtrans-66128.5173.542.80000110.8
610V42.1Very low48.6Very low121 Ų12196.2 Ų96.273%0.73358%0.577SS**PPolyproline II helixtrans-99.5116.3172.6-178.40000108.4Q612V610-Q612 PolarHBondContact O-N 2.86Å
611N49.9Very low50.5Low62 Ų6295.2 Ų95.233%0.33257%0.572SS.*  trans-70.5115.9170.9-78-15.8000109.3T524T524-N611 HydrophobicContact CG2-CB 4.36Å
612Q55.7Low52.5Low128 Ų12892.9 Ų92.960%0.59854%0.542SS*.EExtended strand (participates in β ladder)trans-89.2129.7168.9-80.5-174.4-6.700110.3V525 V610V525-Q612 PolarHBondContact N-O 3.47Å; V525-Q612 VanDerWaalsContact N-O 3.13Å; V610-Q612 PolarHBondContact O-N 2.86Å
613V60.8Low54.8Low14 Ų1492.8 Ų92.89%0.08553%0.534CS..EExtended strand (participates in β ladder)trans-76.5134.4179.5177.70000110V522 T524 W615 W618 F635V522-V613 HydrophobicContact CG1-CG1 3.85Å; T524-V613 HydrophobicContact CG2-CG2 4.39Å; V613-W615 HydrophobicContact CB-CH2 4.31Å; V613-W615 HydrophobicContact CB-CZ2 4.26Å; V613-W615 HydrophobicContact CG1-CE3 4.3Å; V613-W615 HydrophobicContact CG1-CH2 4.34Å; V613-W615 HydrophobicContact CG1-CZ3 4.14Å; V613-W615 PolarHBondContact O-N 3.27Å; V613-W618 HydrophobicContact CG1-CZ3 4.31Å; V613-F635 HydrophobicContact CG2-CB 4.46Å
614N65.3Low56.8Low56 Ų5691.9 Ų91.930%0.29953%0.534SS..  trans-80.1108.3175.6-172.9-2.3000111K523 V525 S616K523-N614 WeakPolarHBondContact O-CB 3.21Å; K523-N614 PolarHBondContact O-N 2.67Å; V525-N614 HydrophobicContact CG2-CB 4.21Å; N614-S616 VanDerWaalsContact C-N 3.27Å; N614-S616 VanDerWaalsContact CG-OG 3.25Å; N614-S616 PolarHBondContact ND2-OG 3.45Å; N614-S616 PolarHBondContact O-N 2.82Å; N614-S616 WeakPolarHBondContact OD1-CB 3.16Å; N614-S616 PolarHBondContact OD1-N 3.14Å; N614-S616 VanDerWaalsContact OD1-N 3.14Å; N614-S616 PolarHBondContact OD1-OG 2.95Å
615W66.4Low59Low113 Ų11385.7 Ų85.743%0.42850%0.504SS..G310 helixtrans-74.6-10-178.1-55.8112.8000115V613 W618 P624 C625V613-W615 HydrophobicContact CB-CH2 4.31Å; V613-W615 HydrophobicContact CB-CZ2 4.26Å; V613-W615 HydrophobicContact CG1-CE3 4.3Å; V613-W615 HydrophobicContact CG1-CH2 4.34Å; V613-W615 HydrophobicContact CG1-CZ3 4.14Å; V613-W615 PolarHBondContact O-N 3.27Å; W615-W618 HydrophobicContact CE3-CD2 4.49Å; W615-W618 HydrophobicContact CE3-CE3 4.36Å; W615-W618 HydrophobicContact CZ3-CE3 4.3Å; W615-W618 HydrophobicContact CZ3-CZ3 4.34Å; W615-W618 PolarHBondContact O-N 3.28Å; W615-P624 HydrophobicContact CD2-CB 4.11Å; W615-P624 HydrophobicContact CE3-CB 3.41Å; W615-P624 VanDerWaalsContact CE3-CB 3.41Å; W615-P624 HydrophobicContact CH2-CB 3.97Å; W615-P624 HydrophobicContact CZ3-CB 3.35Å; W615-C625 VanDerWaalsContact CH2-C 3.47Å; W615-C625 WeakPolarHBondContact CH2-O 3.43Å
616S62.6Low61.2Low98 Ų9883.2 Ų83.269%0.68549%0.486SS*.G310 helixtrans-74.9-21.3-176.959.70000114.4N614N614-S616 VanDerWaalsContact C-N 3.27Å; N614-S616 VanDerWaalsContact CG-OG 3.25Å; N614-S616 PolarHBondContact ND2-OG 3.45Å; N614-S616 PolarHBondContact O-N 2.82Å; N614-S616 WeakPolarHBondContact OD1-CB 3.16Å; N614-S616 PolarHBondContact OD1-N 3.14Å; N614-S616 VanDerWaalsContact OD1-N 3.14Å; N614-S616 PolarHBondContact OD1-OG 2.95Å
617E65Low63.6Low95 Ų9579.9 Ų79.944%0.44446%0.462SS..G310 helixtrans-97.78.1176.8-65.9-171.3163.900112.7K523K523-E617 VanDerWaalsContact CD-OE2 3.28Å; K523-E617 WeakPolarHBondContact CD-OE2 3.21Å; K523-E617 WeakPolarHBondContact CE-OE2 3.34Å; K523-E617 WeakPolarHBondContact CG-OE2 3.49Å; K523-E617 IonicContact NZ-OE1 2.92Å; K523-E617 PolarHBondContact NZ-OE1 2.83Å; K523-E617 IonicContact NZ-OE2 2.69Å; K523-E617 PolarHBondContact NZ-OE2 3.46Å
618W75.2Confident66.1Low25 Ų2576.2 Ų76.210%0.09542%0.424CS..SBendtrans-79.1137.9-178.5-154.2-96000111.7W520 V522 V613 W615 N620 M622 L623 C625 F635 L641 A649W520-W618 HydrophobicContact CZ2-CD2 4.09Å; W520-W618 AromaticContact CZ2-CE2 3.68Å; W520-W618 HydrophobicContact CZ2-CE3 4.38Å; W520-W618 HydrophobicContact CZ2-CH2 4.01Å; W520-W618 AromaticContact CZ2-CZ2 3.67Å; W520-W618 HydrophobicContact CZ2-CZ2 3.67Å; W520-W618 HydrophobicContact CZ2-CZ3 4.35Å; W520-W618 AromaticContact NE1-CE3 3.72Å; W520-W618 AromaticContact NE1-CZ3 3.87Å; V522-W618 HydrophobicContact CG2-CE3 4.49Å; V522-W618 HydrophobicContact CG2-CZ3 3.75Å; V613-W618 HydrophobicContact CG1-CZ3 4.31Å; W615-W618 HydrophobicContact CE3-CD2 4.49Å; W615-W618 HydrophobicContact CE3-CE3 4.36Å; W615-W618 HydrophobicContact CZ3-CE3 4.3Å; W615-W618 HydrophobicContact CZ3-CZ3 4.34Å; W615-W618 PolarHBondContact O-N 3.28Å; W618-N620 PolarHBondContact O-N 3.26Å; W618-M622 VanDerWaalsContact CD1-O 3.29Å; W618-M622 VanDerWaalsContact NE1-CB 3.33Å; W618-M622 PolarHBondContact NE1-O 3.47Å; W618-L623 PolarHBondContact NE1-O 3.02Å; W618-C625 WeakPolarHBondContact CH2-O 3.13Å; W618-F635 HydrophobicContact CH2-CD2 4.38Å; W618-F635 HydrophobicContact CH2-CE2 4.17Å; W618-L641 HydrophobicContact CH2-CD1 3.57Å; W618-L641 HydrophobicContact CZ3-CD1 3.89Å; W618-A649 HydrophobicContact CH2-CB 4.12Å; W618-A649 HydrophobicContact CZ2-CB 3.59Å
619P79Confident68.4Low41 Ų4172.5 Ų72.527%0.26640%0.402SS..  trans-63.1136.7178-2030.9000112.1W520 D621 M622W520-P619 HydrophobicContact CD2-CG 3.63Å; W520-P619 HydrophobicContact CE3-CG 3.65Å; W520-P619 HydrophobicContact CG-CG 4.15Å; W520-P619 HydrophobicContact CH2-CG 4.21Å; W520-P619 HydrophobicContact CZ2-CG 4.2Å; W520-P619 HydrophobicContact CZ3-CG 3.95Å; P619-D621 PolarHBondContact O-N 3.4Å; P619-D621 VanDerWaalsContact O-N 3.15Å; P619-M622 HydrophobicContact CB-CB 4.27Å; P619-M622 HydrophobicContact CB-CG 3.85Å; P619-M622 HydrophobicContact CG-CG 4.14Å; P619-M622 WeakPolarHBondContact O-CB 3.33Å; P619-M622 PolarHBondContact O-N 2.65Å
620N72.5Confident70.5Confident169 Ų16970.1 Ų70.190%0.90438%0.383SS*.THydrogen-bonded Turntrans-60.8-26.2-177.3-67.9-33.1000114.2W618 M622W618-N620 PolarHBondContact O-N 3.26Å; N620-M622 PolarHBondContact O-N 3.36Å
621D74.6Confident72.4Confident126 Ų12666.3 Ų66.367%0.67436%0.361SS*.THydrogen-bonded Turntrans-84.13.1178.4-65.7-19000112.6P619 G647P619-D621 PolarHBondContact O-N 3.4Å; P619-D621 VanDerWaalsContact O-N 3.15Å; D621-G647 WeakPolarHBondContact O-CA 3.31Å
622M81.9Confident73.7Confident22 Ų2269.4 Ų69.411%0.10838%0.377CS..SBendtrans-119.4136.6-174.7-60.1-68.1149.400111.4P518 W520 W618 P619 N620 G647P518-M622 HydrophobicContact CG-CE 3.59Å; W520-M622 HydrophobicContact CH2-CB 4.09Å; W520-M622 HydrophobicContact CH2-CG 3.63Å; W520-M622 HydrophobicContact CH2-SD 4.1Å; W520-M622 HydrophobicContact CZ2-CG 4.45Å; W520-M622 HydrophobicContact CZ3-CG 3.96Å; W520-M622 HydrophobicContact CZ3-SD 4.36Å; W618-M622 VanDerWaalsContact CD1-O 3.29Å; W618-M622 VanDerWaalsContact NE1-CB 3.33Å; W618-M622 PolarHBondContact NE1-O 3.47Å; P619-M622 HydrophobicContact CB-CB 4.27Å; P619-M622 HydrophobicContact CB-CG 3.85Å; P619-M622 HydrophobicContact CG-CG 4.14Å; P619-M622 WeakPolarHBondContact O-CB 3.33Å; P619-M622 PolarHBondContact O-N 2.65Å; N620-M622 PolarHBondContact O-N 3.36Å; M622-G647 CarbonylContact C-O 3.58Å; M622-G647 WeakPolarHBondContact CA-O 3.48Å
623L80.9Confident74.7Confident94 Ų9469.2 Ų69.249%0.49238%0.376SS..  trans-74.5137.6175.6-63.7170.5000109.8W618 C625 G647W618-L623 PolarHBondContact NE1-O 3.02Å; L623-C625 PolarHBondContact O-N 3.33Å; L623-G647 WeakPolarHBondContact CB-O 3.27Å; L623-G647 PolarHBondContact N-O 3.43Å
624P74.9Confident75.5Confident78 Ų7873.4 Ų73.451%0.50640%0.398SS..  trans-68.5127.8178.126.8-32.7000110.5W615W615-P624 HydrophobicContact CD2-CB 4.11Å; W615-P624 HydrophobicContact CE3-CB 3.41Å; W615-P624 VanDerWaalsContact CE3-CB 3.41Å; W615-P624 HydrophobicContact CH2-CB 3.97Å; W615-P624 HydrophobicContact CZ3-CB 3.35Å
625C77.6Confident76.2Confident17 Ų1770.8 Ų70.812%0.11538%0.384CS..  trans-142.5142.1175.2-166.70000109.8W615 W618 L623 E627 F635W615-C625 VanDerWaalsContact CH2-C 3.47Å; W615-C625 WeakPolarHBondContact CH2-O 3.43Å; W618-C625 WeakPolarHBondContact CH2-O 3.13Å; L623-C625 PolarHBondContact O-N 3.33Å; C625-E627 PolarHBondContact SG-O 3.06Å; C625-F635 HydrophobicContact CB-CE2 4.35Å; C625-F635 VanDerWaalsContact O-CD2 3.31Å; C625-F635 WeakPolarHBondContact O-CD2 3.46Å; C625-F635 VanDerWaalsContact O-CE2 3.22Å; C625-F635 WeakPolarHBondContact O-CE2 3.45Å
626S73.8Confident76.5Confident57 Ų5768.4 Ų68.440%0.39938%0.382SS..SBendtrans-103.1-12.2-177.855.30000113.8N634 F635S626-N634 WeakPolarHBondContact O-CA 3.44Å; S626-F635 VanDerWaalsContact C-CD2 3.41Å; S626-F635 WeakPolarHBondContact O-CD2 3.49Å; S626-F635 PolarHBondContact O-N 3.08Å
627E79.9Confident77Confident54 Ų5467.5 Ų67.525%0.25237%0.369SS..BIsolated β-bridgetrans-132.5149.3-177.464.2-178-171.200111.7C625 E633C625-E627 PolarHBondContact SG-O 3.06Å; E627-E633 CarbonylContact C-O 3.59Å; E627-E633 WeakPolarHBondContact CA-O 3.5Å
628C83.6Confident77.3Confident0 Ų067.5 Ų67.50%037%0.369CS..  trans-88.9116.5172.5-175.30000110V630 C631 L632 E633 F635 H651C628-V630 PolarHBondContact O-N 2.88Å; C628-V630 VanDerWaalsContact O-N 3.11Å; C628-C631 PolarHBondContact O-N 2.73Å; C628-L632 WeakPolarHBondContact O-CA 3.41Å; C628-L632 PolarHBondContact O-N 3.26Å; C628-E633 PolarHBondContact N-O 2.86Å; C628-F635 HydrophobicContact CB-CE1 3.76Å; C628-F635 HydrophobicContact CB-CZ 4.18Å; C628-H651 VanDerWaalsContact CB-ND1 3.3Å; C628-H651 WeakPolarHBondContact CB-ND1 3.48Å
629V79.8Confident77.6Confident49 Ų4969.3 Ų69.330%0.29738%0.379SS..THydrogen-bonded Turntrans-73.5-5.9-176.1-173.40000113.8L632 L668V629-L632 HydrophobicContact CG1-CD2 4.49Å; V629-L668 HydrophobicContact CB-CD2 3.81Å; V629-L668 HydrophobicContact CB-CG 4.41Å; V629-L668 HydrophobicContact CG1-CD2 3.72Å; V629-L668 HydrophobicContact CG2-CD1 4.36Å; V629-L668 HydrophobicContact CG2-CD2 3.74Å; V629-L668 HydrophobicContact CG2-CG 4.42Å
630V79.9Confident77.7Confident53 Ų5371.1 Ų71.132%0.32139%0.386SS..THydrogen-bonded Turntrans-84.5-44.7175.7-178.70000111.6C628 F650 C654 P667C628-V630 PolarHBondContact O-N 2.88Å; C628-V630 VanDerWaalsContact O-N 3.11Å; V630-F650 HydrophobicContact CG2-CD1 3.91Å; V630-F650 HydrophobicContact CG2-CE1 4.33Å; V630-C654 HydrophobicContact CB-CB 3.88Å; V630-C654 HydrophobicContact CG1-CB 3.83Å; V630-P667 HydrophobicContact CG2-CB 4.39Å; V630-P667 HydrophobicContact CG2-CG 3.92Å
631C80.5Confident78.4Confident42 Ų4263 Ų6328%0.28434%0.343SS..THydrogen-bonded Turntrans-102.5-8.5176.962.10000113.9C628 E633 H651C628-C631 PolarHBondContact O-N 2.73Å; C631-E633 HydrophobicContact CB-CG 4.42Å; C631-E633 PolarHBondContact O-N 3.36Å; C631-H651 VanDerWaalsContact SG-CE1 3.56Å; C631-H651 PolarHBondContact SG-ND1 3.43Å
632L78.9Confident78.9Confident127 Ų12757.3 Ų57.367%0.66531%0.312SS*.  trans62.219.8-176.5-52174.3000114.6C628 V629C628-L632 WeakPolarHBondContact O-CA 3.41Å; C628-L632 PolarHBondContact O-N 3.26Å; V629-L632 HydrophobicContact CG1-CD2 4.49Å
633E75.6Confident79.1Confident123 Ų12356.3 Ų56.358%0.57531%0.307SS*.PPolyproline II helixtrans-97.6149.5177.8-62.9175.1158.700111.8E627 C628 C631E627-E633 CarbonylContact C-O 3.59Å; E627-E633 WeakPolarHBondContact CA-O 3.5Å; C628-E633 PolarHBondContact N-O 2.86Å; C631-E633 HydrophobicContact CB-CG 4.42Å; C631-E633 PolarHBondContact O-N 3.36Å
634N77.9Confident79.4Confident102 Ų10251.8 Ų51.855%0.54528%0.283SS..BIsolated β-bridgetrans-74.9146.6175.4-68.7-45.8000111S626 V636S626-N634 WeakPolarHBondContact O-CA 3.44Å; N634-V636 PolarHBondContact O-N 3.03Å
635F78.9Confident79.8Confident2 Ų249.8 Ų49.81%0.00927%0.27CS..PPolyproline II helixtrans-66128.1175.5-59.9-51.2000111.5V522 V613 W618 C625 S626 C628 L641 H651V522-F635 HydrophobicContact CG1-CB 4.42Å; V613-F635 HydrophobicContact CG2-CB 4.46Å; W618-F635 HydrophobicContact CH2-CD2 4.38Å; W618-F635 HydrophobicContact CH2-CE2 4.17Å; C625-F635 HydrophobicContact CB-CE2 4.35Å; C625-F635 VanDerWaalsContact O-CD2 3.31Å; C625-F635 WeakPolarHBondContact O-CD2 3.46Å; C625-F635 VanDerWaalsContact O-CE2 3.22Å; C625-F635 WeakPolarHBondContact O-CE2 3.45Å; S626-F635 VanDerWaalsContact C-CD2 3.41Å; S626-F635 WeakPolarHBondContact O-CD2 3.49Å; S626-F635 PolarHBondContact O-N 3.08Å; C628-F635 HydrophobicContact CB-CE1 3.76Å; C628-F635 HydrophobicContact CB-CZ 4.18Å; F635-L641 HydrophobicContact CD1-CD1 3.85Å; F635-L641 HydrophobicContact CD1-CD2 3.33Å; F635-L641 HydrophobicContact CD1-CG 4.22Å; F635-L641 HydrophobicContact CD2-CD1 3.97Å; F635-L641 HydrophobicContact CE1-CD1 3.81Å; F635-L641 HydrophobicContact CE1-CD2 3.31Å; F635-L641 HydrophobicContact CE1-CG 4.22Å; F635-L641 HydrophobicContact CE2-CD1 3.93Å; F635-L641 HydrophobicContact CG-CD1 3.95Å; F635-L641 HydrophobicContact CG-CD2 4.17Å; F635-L641 HydrophobicContact CZ-CD1 3.85Å; F635-L641 HydrophobicContact CZ-CD2 4.14Å; F635-H651 AromaticContact CD1-CD2 3.65Å; F635-H651 AromaticContact CD1-NE2 3.27Å; F635-H651 VanDerWaalsContact CD1-NE2 3.27Å; F635-H651 WeakPolarHBondContact CD1-NE2 3.31Å; F635-H651 AromaticContact CE1-CD2 3.75Å; F635-H651 AromaticContact CE1-NE2 3.65Å
636V73.4Confident80.1Confident62 Ų6249.5 Ų49.538%0.37627%0.268SS..PPolyproline II helixtrans-102.9161.6178.3-166.40000110.2N634 E639N634-V636 PolarHBondContact O-N 3.03Å; V636-E639 VanDerWaalsContact CB-CD 3.48Å; V636-E639 HydrophobicContact CB-CG 4.14Å; V636-E639 WeakPolarHBondContact CB-OE1 3.44Å; V636-E639 PolarHBondContact N-OE2 3.05Å; V636-E639 WeakPolarHBondContact O-CB 3.15Å; V636-E639 PolarHBondContact O-N 2.92Å
637N72.1Confident80.5Confident79 Ų7947 Ų4742%0.42225%0.251SS..THydrogen-bonded Turntrans-58137.7-178.8-153.713.3000111.8K523 T524 E639K523-N637 VanDerWaalsContact CA-OD1 3.23Å; K523-N637 WeakPolarHBondContact CA-OD1 3.43Å; T524-N637 PolarHBondContact N-OD1 3.41Å; T524-N637 VanDerWaalsContact OG1-CB 3.31Å; T524-N637 WeakPolarHBondContact OG1-CB 3.22Å; N637-E639 PolarHBondContact O-N 2.83Å
638E72.4Confident80.9Confident96 Ų9645.5 Ų45.545%0.44925%0.245SC..THydrogen-bonded Turntrans66.210.2179.3-65.1-70.3145.600116.2K521 V522K521-E638 WeakPolarHBondContact CD-OE2 3.15Å; K521-E638 IonicContact NZ-OE2 2.69Å; K521-E638 PolarHBondContact NZ-OE2 3.01Å; V522-E638 WeakPolarHBondContact O-CA 3.47Å; V522-E638 PolarHBondContact O-N 3.44Å
639E80.8Confident81Confident62 Ų6245.6 Ų45.629%0.2925%0.245SC..  trans-74.7142175.5-70.1-178.8162.100112.5K521 V522 V636 N637 H651K521-E639 WeakPolarHBondContact CA-O 3.27Å; V522-E639 PolarHBondContact N-O 3.37Å; V522-E639 VanDerWaalsContact N-O 3.11Å; V636-E639 VanDerWaalsContact CB-CD 3.48Å; V636-E639 HydrophobicContact CB-CG 4.14Å; V636-E639 WeakPolarHBondContact CB-OE1 3.44Å; V636-E639 PolarHBondContact N-OE2 3.05Å; V636-E639 WeakPolarHBondContact O-CB 3.15Å; V636-E639 PolarHBondContact O-N 2.92Å; N637-E639 PolarHBondContact O-N 2.83Å; E639-H651 IonicContact OE2-CD2 3.91Å; E639-H651 IonicContact OE2-NE2 2.74Å; E639-H651 PolarHBondContact OE2-NE2 3.43Å
640L82.5Confident81.4Confident79 Ų7943.3 Ų43.341%0.41423%0.231SC..EExtended strand (participates in β ladder)trans-83.7115.2179-77164.7000110.6K521 Q652K521-L640 HydrophobicContact CD-CD2 4.4Å; K521-L640 HydrophobicContact CG-CD2 3.54Å; K521-L640 HydrophobicContact CG-CG 4.16Å; L640-Q652 HydrophobicContact CB-CB 4.25Å; L640-Q652 WeakPolarHBondContact O-CB 3.45Å; L640-Q652 PolarHBondContact O-N 3.09Å
641L85.8Confident81.7Confident0 Ų041.6 Ų41.60%022%0.22CC..EExtended strand (participates in β ladder)trans-99.4150.6172.2-57.2-163.9000111T519 W520 V522 W618 F635 F650T519-L641 CarbonylContact C-O 3.6Å; T519-L641 WeakPolarHBondContact CA-O 3.44Å; T519-L641 WeakPolarHBondContact CB-O 3.45Å; W520-L641 HydrophobicContact CD2-CB 4.47Å; W520-L641 HydrophobicContact CZ2-CB 4.24Å; W520-L641 HydrophobicContact CZ2-CD1 4.43Å; W520-L641 PolarHBondContact N-O 3.27Å; W520-L641 VanDerWaalsContact N-O 3.09Å; W520-L641 PolarHBondContact O-N 2.95Å; V522-L641 HydrophobicContact CG2-CD1 3.28Å; V522-L641 HydrophobicContact CG2-CG 3.68Å; W618-L641 HydrophobicContact CH2-CD1 3.57Å; W618-L641 HydrophobicContact CZ3-CD1 3.89Å; F635-L641 HydrophobicContact CD1-CD1 3.85Å; F635-L641 HydrophobicContact CD1-CD2 3.33Å; F635-L641 HydrophobicContact CD1-CG 4.22Å; F635-L641 HydrophobicContact CD2-CD1 3.97Å; F635-L641 HydrophobicContact CE1-CD1 3.81Å; F635-L641 HydrophobicContact CE1-CD2 3.31Å; F635-L641 HydrophobicContact CE1-CG 4.22Å; F635-L641 HydrophobicContact CE2-CD1 3.93Å; F635-L641 HydrophobicContact CG-CD1 3.95Å; F635-L641 HydrophobicContact CG-CD2 4.17Å; F635-L641 HydrophobicContact CZ-CD1 3.85Å; F635-L641 HydrophobicContact CZ-CD2 4.14Å; L641-F650 CarbonylContact C-O 3.5Å; L641-F650 VanDerWaalsContact CA-O 3.27Å; L641-F650 WeakPolarHBondContact CA-O 3.22Å
642M85.3Confident81.9Confident6 Ų642.7 Ų42.73%0.0322%0.221CC..EExtended strand (participates in β ladder)trans-123.6127.1173.4178.7179.5-80.100109.3L517 T519 F650 Q652 I655 V656L517-M642 HydrophobicContact CB-CE 4.47Å; L517-M642 HydrophobicContact CB-CG 4.03Å; L517-M642 HydrophobicContact CB-SD 4.2Å; L517-M642 HydrophobicContact CD1-CG 4.34Å; L517-M642 HydrophobicContact CD1-SD 3.82Å; T519-M642 HydrophobicContact CG2-CB 4.08Å; T519-M642 HydrophobicContact CG2-CE 3.84Å; T519-M642 HydrophobicContact CG2-CG 4.2Å; M642-F650 PolarHBondContact N-O 3.11Å; M642-F650 PolarHBondContact O-N 3.16Å; M642-Q652 HydrophobicContact CB-CB 4.25Å; M642-Q652 HydrophobicContact CE-CG 3.92Å; M642-I655 HydrophobicContact CB-CG2 3.76Å; M642-I655 HydrophobicContact CG-CG2 3.94Å; M642-I655 HydrophobicContact SD-CG2 3.54Å; M642-I655 VanDerWaalsContact SD-CG2 3.54Å; M642-V656 HydrophobicContact CE-CG2 3.94Å; M642-V656 HydrophobicContact SD-CG2 4.09Å
643G86.7Confident82.1Confident0 Ų044.3 Ų44.30%023%0.225CC..EExtended strand (participates in β ladder)trans-95139.8177.200000112P518 H648P518-G643 WeakPolarHBondContact CD-O 3.16Å; P518-G643 PolarHBondContact O-N 3.4Å; G643-H648 WeakPolarHBondContact CA-O 3.3Å
644L87.3Confident82.4Confident0 Ų039.9 Ų39.90%021%0.207CC..  trans-93.5157.2170.9-65.4-175.6000111.3L517 C646 G647 H648 F650 I655 L659 C666L517-L644 HydrophobicContact CD1-CD2 3.86Å; L517-L644 HydrophobicContact CD2-CD2 4.49Å; L644-C646 PolarHBondContact O-N 3.45Å; L644-G647 PolarHBondContact O-N 3.48Å; L644-H648 PolarHBondContact N-O 2.96Å; L644-F650 HydrophobicContact CD1-CD2 4.46Å; L644-F650 HydrophobicContact CD1-CE2 3.92Å; L644-F650 HydrophobicContact CG-CD2 4.49Å; L644-F650 HydrophobicContact CG-CE2 4.29Å; L644-I655 HydrophobicContact CD1-CD1 4.12Å; L644-I655 HydrophobicContact CD1-CG1 4.36Å; L644-I655 HydrophobicContact CD2-CG1 4.26Å; L644-I655 HydrophobicContact CG-CG1 4.43Å; L644-L659 HydrophobicContact CD2-CD1 4.09Å; L644-C666 HydrophobicContact CD1-CB 3.68Å
645P83.1Confident82.7Confident36 Ų3635 Ų3523%0.23418%0.181CC..THydrogen-bonded Turntrans-64.7-7.6-178.3-19.331.7000115L517 G647 S673 K676 K677L517-P645 HydrophobicContact CD2-CG 4.06Å; P645-G647 VanDerWaalsContact C-N 3.3Å; P645-S673 WeakPolarHBondContact CD-O 3.36Å; P645-S673 WeakPolarHBondContact CG-O 3.31Å; P645-K676 HydrophobicContact CB-CB 4.46Å; P645-K677 WeakPolarHBondContact O-CB 3.33Å; P645-K677 PolarHBondContact O-N 3.1Å
646C84.4Confident82.9Confident10 Ų1037.3 Ų37.37%0.06820%0.195CC..THydrogen-bonded Turntrans-83.8-3.5171.2650000113.8L644 H648 C666 W671 K677L644-C646 PolarHBondContact O-N 3.45Å; C646-H648 PolarHBondContact SG-ND1 3.15Å; C646-H648 VanDerWaalsContact SG-ND1 3.4Å; C646-C666 VanDerWaalsContact SG-SG 3.62Å; C646-W671 HydrophobicContact CB-CB 3.77Å; C646-W671 HydrophobicContact CB-CG 4Å; C646-K677 HydrophobicContact CB-CD 4.3Å
647G82.3Confident83.3Confident5 Ų539.4 Ų39.45%0.05221%0.208CC..SBendtrans91.44.2179.900000115.3D621 M622 L623 L644 P645D621-G647 WeakPolarHBondContact O-CA 3.31Å; M622-G647 CarbonylContact C-O 3.58Å; M622-G647 WeakPolarHBondContact CA-O 3.48Å; L623-G647 WeakPolarHBondContact CB-O 3.27Å; L623-G647 PolarHBondContact N-O 3.43Å; L644-G647 PolarHBondContact O-N 3.48Å; P645-G647 VanDerWaalsContact C-N 3.3Å
648H87.1Confident83.8Confident23 Ų2339.2 Ų39.211%0.10620%0.201CC..  trans-93.7142179.4-66.3113.7000111.7G643 L644 C646 F650 L668 C669G643-H648 WeakPolarHBondContact CA-O 3.3Å; L644-H648 PolarHBondContact N-O 2.96Å; C646-H648 PolarHBondContact SG-ND1 3.15Å; C646-H648 VanDerWaalsContact SG-ND1 3.4Å; H648-F650 HydrophobicContact CB-CE2 3.79Å; H648-F650 HydrophobicContact CB-CZ 3.97Å; H648-L668 HydrophobicContact CB-CD1 4.01Å; H648-L668 VanDerWaalsContact CD2-CD1 3.49Å; H648-L668 WeakPolarHBondContact CD2-CD1 3.49Å; H648-C669 PolarHBondContact ND1-SG 3.35Å
649A86.1Confident84.2Confident2 Ų234.7 Ų34.72%0.01718%0.18CC..EExtended strand (participates in β ladder)trans-113.4145.3-178.700000112.4W520 W618W520-A649 HydrophobicContact CH2-CB 3.61Å; W520-A649 HydrophobicContact CZ2-CB 3.72Å; W618-A649 HydrophobicContact CH2-CB 4.12Å; W618-A649 HydrophobicContact CZ2-CB 3.59Å
650F88.5Confident83.9Confident0 Ų035 Ų350%019%0.193CC..EExtended strand (participates in β ladder)trans-144.3164.7-179.9-55.3-85.4000109.9V630 L641 M642 L644 H648 Q652 I655 P667 L668V630-F650 HydrophobicContact CG2-CD1 3.91Å; V630-F650 HydrophobicContact CG2-CE1 4.33Å; L641-F650 CarbonylContact C-O 3.5Å; L641-F650 VanDerWaalsContact CA-O 3.27Å; L641-F650 WeakPolarHBondContact CA-O 3.22Å; M642-F650 PolarHBondContact N-O 3.11Å; M642-F650 PolarHBondContact O-N 3.16Å; L644-F650 HydrophobicContact CD1-CD2 4.46Å; L644-F650 HydrophobicContact CD1-CE2 3.92Å; L644-F650 HydrophobicContact CG-CD2 4.49Å; L644-F650 HydrophobicContact CG-CE2 4.29Å; H648-F650 HydrophobicContact CB-CE2 3.79Å; H648-F650 HydrophobicContact CB-CZ 3.97Å; F650-Q652 PolarHBondContact O-N 3.31Å; F650-I655 HydrophobicContact CB-CB 3.82Å; F650-I655 HydrophobicContact CB-CG1 4.42Å; F650-I655 HydrophobicContact CB-CG2 4.26Å; F650-I655 HydrophobicContact CD2-CB 4.3Å; F650-I655 HydrophobicContact CD2-CD1 3.79Å; F650-I655 HydrophobicContact CD2-CG1 3.95Å; F650-I655 HydrophobicContact CE2-CD1 4.12Å; F650-I655 HydrophobicContact CG-CB 4.25Å; F650-I655 HydrophobicContact CG-CD1 4.13Å; F650-I655 HydrophobicContact CG-CG1 4.35Å; F650-P667 HydrophobicContact CE1-CB 4.24Å; F650-P667 HydrophobicContact CE1-CG 4.06Å; F650-P667 HydrophobicContact CZ-CB 4.32Å; F650-P667 HydrophobicContact CZ-CG 4.03Å; F650-L668 HydrophobicContact CE1-CD1 3.96Å; F650-L668 HydrophobicContact CE1-CG 4.01Å; F650-L668 HydrophobicContact CZ-CB 4.46Å; F650-L668 HydrophobicContact CZ-CD1 3.79Å; F650-L668 HydrophobicContact CZ-CG 3.88Å
651H86Confident83.2Confident17 Ų1734 Ų348%0.07920%0.203CC..EExtended strand (participates in β ladder)trans-57134.9165.1-62.7131.2000109.8C628 C631 F635 E639 Q653 C654 I655C628-H651 VanDerWaalsContact CB-ND1 3.3Å; C628-H651 WeakPolarHBondContact CB-ND1 3.48Å; C631-H651 VanDerWaalsContact SG-CE1 3.56Å; C631-H651 PolarHBondContact SG-ND1 3.43Å; F635-H651 AromaticContact CD1-CD2 3.65Å; F635-H651 AromaticContact CD1-NE2 3.27Å; F635-H651 VanDerWaalsContact CD1-NE2 3.27Å; F635-H651 WeakPolarHBondContact CD1-NE2 3.31Å; F635-H651 AromaticContact CE1-CD2 3.75Å; F635-H651 AromaticContact CE1-NE2 3.65Å; E639-H651 IonicContact OE2-CD2 3.91Å; E639-H651 IonicContact OE2-NE2 2.74Å; E639-H651 PolarHBondContact OE2-NE2 3.43Å; H651-Q653 VanDerWaalsContact C-N 3.27Å; H651-Q653 PolarHBondContact O-N 3.47Å; H651-C654 HydrophobicContact CB-CB 4.05Å; H651-C654 PolarHBondContact O-N 3.03Å; H651-C654 VanDerWaalsContact O-N 3.16Å; H651-I655 WeakPolarHBondContact O-CG2 3.38Å; H651-I655 PolarHBondContact O-N 3.21Å
652Q84.5Confident82.2Confident65 Ų6536 Ų3630%0.30422%0.224SC..Hα-helixtrans-53-46.5-178.1177.1175.211.500111.8L640 M642 F650 V656L640-Q652 HydrophobicContact CB-CB 4.25Å; L640-Q652 WeakPolarHBondContact O-CB 3.45Å; L640-Q652 PolarHBondContact O-N 3.09Å; M642-Q652 HydrophobicContact CB-CB 4.25Å; M642-Q652 HydrophobicContact CE-CG 3.92Å; F650-Q652 PolarHBondContact O-N 3.31Å; Q652-V656 HydrophobicContact CG-CG2 4.39Å; Q652-V656 WeakPolarHBondContact O-CB 3.42Å; Q652-V656 WeakPolarHBondContact O-CG2 3.38Å; Q652-V656 PolarHBondContact O-N 2.73Å
653Q83.4Confident81.7Confident161 Ų16140.1 Ų40.175%0.75224%0.241SC*.Hα-helixtrans-64.9-45.3-179.2-71162.2-12.800111.7H651 I655 V656 V657H651-Q653 VanDerWaalsContact C-N 3.27Å; H651-Q653 PolarHBondContact O-N 3.47Å; Q653-I655 PolarHBondContact O-N 3.09Å; Q653-V656 PolarHBondContact O-N 2.86Å; Q653-V657 VanDerWaalsContact O-CG2 3.31Å; Q653-V657 WeakPolarHBondContact O-CG2 3.38Å; Q653-V657 PolarHBondContact O-N 2.97Å
654C82.9Confident81.4Confident30 Ų3041.6 Ų41.620%0.20325%0.248CC..Hα-helixtrans-61.6-44.9-178.7-62.10000112.2V630 H651 W658V630-C654 HydrophobicContact CB-CB 3.88Å; V630-C654 HydrophobicContact CG1-CB 3.83Å; H651-C654 HydrophobicContact CB-CB 4.05Å; H651-C654 PolarHBondContact O-N 3.03Å; H651-C654 VanDerWaalsContact O-N 3.16Å; C654-W658 WeakPolarHBondContact O-CB 3.34Å; C654-W658 PolarHBondContact O-N 3.11Å; C654-W658 VanDerWaalsContact O-N 3.08Å
655I83.8Confident81.2Confident0 Ų045.5 Ų45.50%026%0.263CS..Hα-helixtrans-76.5-31.7-178.2-164.562.2000112.5M642 L644 F650 H651 Q653 W658 L659 P667M642-I655 HydrophobicContact CB-CG2 3.76Å; M642-I655 HydrophobicContact CG-CG2 3.94Å; M642-I655 HydrophobicContact SD-CG2 3.54Å; M642-I655 VanDerWaalsContact SD-CG2 3.54Å; L644-I655 HydrophobicContact CD1-CD1 4.12Å; L644-I655 HydrophobicContact CD1-CG1 4.36Å; L644-I655 HydrophobicContact CD2-CG1 4.26Å; L644-I655 HydrophobicContact CG-CG1 4.43Å; F650-I655 HydrophobicContact CB-CB 3.82Å; F650-I655 HydrophobicContact CB-CG1 4.42Å; F650-I655 HydrophobicContact CB-CG2 4.26Å; F650-I655 HydrophobicContact CD2-CB 4.3Å; F650-I655 HydrophobicContact CD2-CD1 3.79Å; F650-I655 HydrophobicContact CD2-CG1 3.95Å; F650-I655 HydrophobicContact CE2-CD1 4.12Å; F650-I655 HydrophobicContact CG-CB 4.25Å; F650-I655 HydrophobicContact CG-CD1 4.13Å; F650-I655 HydrophobicContact CG-CG1 4.35Å; H651-I655 WeakPolarHBondContact O-CG2 3.38Å; H651-I655 PolarHBondContact O-N 3.21Å; Q653-I655 PolarHBondContact O-N 3.09Å; I655-W658 HydrophobicContact CD1-CB 4.26Å; I655-W658 HydrophobicContact CD1-CG 4.37Å; I655-W658 PolarHBondContact O-N 3.23Å; I655-L659 HydrophobicContact CD1-CG 4.42Å; I655-L659 HydrophobicContact CG1-CD1 3.95Å; I655-L659 HydrophobicContact CG1-CG 4.25Å; I655-L659 WeakPolarHBondContact O-CB 3.49Å; I655-L659 VanDerWaalsContact O-CG 3.22Å; I655-L659 WeakPolarHBondContact O-CG 3.4Å; I655-L659 PolarHBondContact O-N 3.32Å; I655-P667 HydrophobicContact CD1-CG 3.8Å
656V82.3Confident81.2Confident50 Ų5043.8 Ų43.830%0.30325%0.251SS..Hα-helixtrans-64-44.2173.4168.70000110.6M642 Q652 Q653 W658 L659 A660M642-V656 HydrophobicContact CE-CG2 3.94Å; M642-V656 HydrophobicContact SD-CG2 4.09Å; Q652-V656 HydrophobicContact CG-CG2 4.39Å; Q652-V656 WeakPolarHBondContact O-CB 3.42Å; Q652-V656 WeakPolarHBondContact O-CG2 3.38Å; Q652-V656 PolarHBondContact O-N 2.73Å; Q653-V656 PolarHBondContact O-N 2.86Å; V656-W658 VanDerWaalsContact C-N 3.33Å; V656-W658 PolarHBondContact O-N 2.85Å; V656-L659 PolarHBondContact O-N 3.02Å; V656-A660 WeakPolarHBondContact O-CB 3.49Å; V656-A660 PolarHBondContact O-N 3.45Å
657V82.9Confident81.1Confident107 Ų10744.9 Ų44.965%0.64826%0.259SS*.Hα-helixtrans-61.2-43.9175.1172.30000110.9Q653 L659 A660 G661Q653-V657 VanDerWaalsContact O-CG2 3.31Å; Q653-V657 WeakPolarHBondContact O-CG2 3.38Å; Q653-V657 PolarHBondContact O-N 2.97Å; V657-L659 PolarHBondContact O-N 3.4Å; V657-A660 PolarHBondContact O-N 2.79Å; V657-G661 PolarHBondContact O-N 3.4Å
658W82.2Confident81.1Confident74 Ų7446.8 Ų46.828%0.2827%0.267SS..Hα-helixtrans-59.3-46177.4-179.1-90.4000112.9C654 I655 V656 K663 W665 P667C654-W658 WeakPolarHBondContact O-CB 3.34Å; C654-W658 PolarHBondContact O-N 3.11Å; C654-W658 VanDerWaalsContact O-N 3.08Å; I655-W658 HydrophobicContact CD1-CB 4.26Å; I655-W658 HydrophobicContact CD1-CG 4.37Å; I655-W658 PolarHBondContact O-N 3.23Å; V656-W658 VanDerWaalsContact C-N 3.33Å; V656-W658 PolarHBondContact O-N 2.85Å; W658-K663 HydrophobicContact CD2-CD 4.37Å; W658-K663 HydrophobicContact CH2-CD 3.95Å; W658-K663 HydrophobicContact CZ2-CB 4.48Å; W658-K663 HydrophobicContact CZ2-CD 3.67Å; W658-K663 HydrophobicContact CZ3-CD 4.38Å; W658-W665 PolarHBondContact NE1-O 3.21Å; W658-W665 VanDerWaalsContact NE1-O 3.14Å; W658-P667 HydrophobicContact CD2-CG 4.03Å; W658-P667 HydrophobicContact CG-CG 4.08Å; W658-P667 HydrophobicContact CZ2-CB 4.36Å; W658-P667 HydrophobicContact CZ2-CG 4.37Å
659L81.1Confident80.8Confident1 Ų147.6 Ų47.61%0.00528%0.275CS..Hα-helixtrans-75.3-35.4-178.7-64.1172.4000112.1L514 L517 L644 I655 V656 V657 G661 G662 K663L514-L659 HydrophobicContact CD1-CB 4.33Å; L514-L659 HydrophobicContact CD2-CB 3.92Å; L514-L659 HydrophobicContact CD2-CD1 3.28Å; L514-L659 HydrophobicContact CD2-CG 4.2Å; L517-L659 HydrophobicContact CD1-CD1 4.42Å; L644-L659 HydrophobicContact CD2-CD1 4.09Å; I655-L659 HydrophobicContact CD1-CG 4.42Å; I655-L659 HydrophobicContact CG1-CD1 3.95Å; I655-L659 HydrophobicContact CG1-CG 4.25Å; I655-L659 WeakPolarHBondContact O-CB 3.49Å; I655-L659 VanDerWaalsContact O-CG 3.22Å; I655-L659 WeakPolarHBondContact O-CG 3.4Å; I655-L659 PolarHBondContact O-N 3.32Å; V656-L659 PolarHBondContact O-N 3.02Å; V657-L659 PolarHBondContact O-N 3.4Å; L659-G661 VanDerWaalsContact C-N 3.26Å; L659-G661 PolarHBondContact O-N 3.39Å; L659-G662 PolarHBondContact O-N 3.34Å; L659-K663 WeakPolarHBondContact CD2-O 3.42Å
660A74.8Confident80.6Confident68 Ų6857.2 Ų57.256%0.56231%0.311SS*.Hα-helixtrans-66.8-27.2174.700000112.5V656 V657 G662V656-A660 WeakPolarHBondContact O-CB 3.49Å; V656-A660 PolarHBondContact O-N 3.45Å; V657-A660 PolarHBondContact O-N 2.79Å; A660-G662 PolarHBondContact O-N 3.34Å; A660-G662 VanDerWaalsContact O-N 3.08Å
661G66.5Low80.2Confident60 Ų6061.3 Ų61.362%0.61933%0.327SS*.THydrogen-bonded Turntrans-71.412.617200000115.2V657 L659 K663V657-G661 PolarHBondContact O-N 3.4Å; L659-G661 VanDerWaalsContact C-N 3.26Å; L659-G661 PolarHBondContact O-N 3.39Å; G661-K663 PolarHBondContact O-N 3.14Å
662G65.7Low80Confident42 Ų4262.4 Ų62.443%0.43334%0.335SS..THydrogen-bonded Turntrans85.30.2175.500000115.4L659 A660 H664L659-G662 PolarHBondContact O-N 3.34Å; A660-G662 PolarHBondContact O-N 3.34Å; A660-G662 VanDerWaalsContact O-N 3.08Å; G662-H664 PolarHBondContact O-N 3.41Å
663K73.9Confident79.8Confident91 Ų9159.3 Ų59.340%0.39632%0.321SS..  trans-93.980.4-179.9-61.1179.7-174177.70110.4W658 L659 G661 W665W658-K663 HydrophobicContact CD2-CD 4.37Å; W658-K663 HydrophobicContact CH2-CD 3.95Å; W658-K663 HydrophobicContact CZ2-CB 4.48Å; W658-K663 HydrophobicContact CZ2-CD 3.67Å; W658-K663 HydrophobicContact CZ3-CD 4.38Å; L659-K663 WeakPolarHBondContact CD2-O 3.42Å; G661-K663 PolarHBondContact O-N 3.14Å; K663-W665 HydrophobicContact CB-CZ2 4.03Å; K663-W665 HydrophobicContact CG-CZ2 4.02Å; K663-W665 PolarHBondContact O-N 3.05Å
664H80.7Confident79.6Confident32 Ų3257 Ų5715%0.14831%0.306CS..  trans-7430.6-174.8-62.8-76.4000115.5Y513 G662 S673 Y674Y513-H664 AromaticContact CZ-ND1 3.92Å; Y513-H664 PolarHBondContact OH-ND1 2.76Å; G662-H664 PolarHBondContact O-N 3.41Å; H664-S673 PolarHBondContact O-N 3.22Å; H664-S673 PolarHBondContact O-OG 2.79Å; H664-Y674 HydrophobicContact CB-CD1 4.39Å; H664-Y674 HydrophobicContact CB-CE1 4.17Å
665W82.8Confident79.3Confident81 Ų8161.6 Ų61.631%0.30732%0.323SS..BIsolated β-bridgetrans-131.5153.2179.454.178.9000112.1H506 W658 K663 R670 W671H506-W665 AromaticContact CE1-CZ3 3.65Å; H506-W665 AromaticContact NE2-CH2 3.96Å; H506-W665 AromaticContact NE2-CZ3 3.99Å; W658-W665 PolarHBondContact NE1-O 3.21Å; W658-W665 VanDerWaalsContact NE1-O 3.14Å; K663-W665 HydrophobicContact CB-CZ2 4.03Å; K663-W665 HydrophobicContact CG-CZ2 4.02Å; K663-W665 PolarHBondContact O-N 3.05Å; W665-R670 WeakPolarHBondContact CB-O 3.23Å; W665-W671 CarbonylContact C-O 3.54Å; W665-W671 VanDerWaalsContact CA-O 3.28Å; W665-W671 WeakPolarHBondContact CA-O 3.28Å
666C83.8Confident78.8Confident0 Ų069.5 Ų69.50%036%0.357CS..  trans-59.4131.8179.41780000111.8L644 C646 L668 C669 R670 W671L644-C666 HydrophobicContact CD1-CB 3.68Å; C646-C666 VanDerWaalsContact SG-SG 3.62Å; C666-L668 VanDerWaalsContact C-N 3.26Å; C666-L668 PolarHBondContact O-N 2.62Å; C666-L668 PolarHBondContact SG-N 3.13Å; C666-C669 VanDerWaalsContact CB-SG 3.59Å; C666-R670 WeakPolarHBondContact O-CA 3.48Å; C666-R670 PolarHBondContact O-N 3.24Å; C666-W671 PolarHBondContact N-O 3.19Å
667P81.9Confident77.9Confident34 Ų3475.1 Ų75.122%0.22138%0.377CS..THydrogen-bonded Turntrans-56.4-38175.6-24.931000113.6V630 F650 I655 W658V630-P667 HydrophobicContact CG2-CB 4.39Å; V630-P667 HydrophobicContact CG2-CG 3.92Å; F650-P667 HydrophobicContact CE1-CB 4.24Å; F650-P667 HydrophobicContact CE1-CG 4.06Å; F650-P667 HydrophobicContact CZ-CB 4.32Å; F650-P667 HydrophobicContact CZ-CG 4.03Å; I655-P667 HydrophobicContact CD1-CG 3.8Å; W658-P667 HydrophobicContact CD2-CG 4.03Å; W658-P667 HydrophobicContact CG-CG 4.08Å; W658-P667 HydrophobicContact CZ2-CB 4.36Å; W658-P667 HydrophobicContact CZ2-CG 4.37Å
668L81.8Confident77.6Confident44 Ų4473.6 Ų73.623%0.2336%0.364CS..THydrogen-bonded Turntrans-77.3-49.5-177.1-71174.4000114.6C585 V629 H648 F650 C666C585-L668 VanDerWaalsContact SG-CD2 3.51Å; V629-L668 HydrophobicContact CB-CD2 3.81Å; V629-L668 HydrophobicContact CB-CG 4.41Å; V629-L668 HydrophobicContact CG1-CD2 3.72Å; V629-L668 HydrophobicContact CG2-CD1 4.36Å; V629-L668 HydrophobicContact CG2-CD2 3.74Å; V629-L668 HydrophobicContact CG2-CG 4.42Å; H648-L668 HydrophobicContact CB-CD1 4.01Å; H648-L668 VanDerWaalsContact CD2-CD1 3.49Å; H648-L668 WeakPolarHBondContact CD2-CD1 3.49Å; F650-L668 HydrophobicContact CE1-CD1 3.96Å; F650-L668 HydrophobicContact CE1-CG 4.01Å; F650-L668 HydrophobicContact CZ-CB 4.46Å; F650-L668 HydrophobicContact CZ-CD1 3.79Å; F650-L668 HydrophobicContact CZ-CG 3.88Å; C666-L668 VanDerWaalsContact C-N 3.26Å; C666-L668 PolarHBondContact O-N 2.62Å; C666-L668 PolarHBondContact SG-N 3.13Å
669C81.3Confident77.4Confident41 Ų4173.5 Ų73.528%0.27737%0.368SS..THydrogen-bonded Turntrans-117.90.2-170.666.30000114.6H648 C666 W671H648-C669 PolarHBondContact ND1-SG 3.35Å; C666-C669 VanDerWaalsContact CB-SG 3.59Å; C669-W671 PolarHBondContact O-N 2.79Å; C669-W671 VanDerWaalsContact SG-CB 3.57Å
670R81.6Confident77.2Confident203 Ų20377.6 Ų77.677%0.76639%0.388SS*.  trans56.117-177.4-55.1-179.6-180-175.9-1.7114.8W665 C666W665-R670 WeakPolarHBondContact CB-O 3.23Å; C666-R670 WeakPolarHBondContact O-CA 3.48Å; C666-R670 PolarHBondContact O-N 3.24Å
671W80Confident77.3Confident87 Ų8778.1 Ų78.133%0.3338%0.378SS..  trans-70.3140.1174.7-162-93.2000111C646 W665 C666 C669 S673 K675 K677C646-W671 HydrophobicContact CB-CB 3.77Å; C646-W671 HydrophobicContact CB-CG 4Å; W665-W671 CarbonylContact C-O 3.54Å; W665-W671 VanDerWaalsContact CA-O 3.28Å; W665-W671 WeakPolarHBondContact CA-O 3.28Å; C666-W671 PolarHBondContact N-O 3.19Å; C669-W671 PolarHBondContact O-N 2.79Å; C669-W671 VanDerWaalsContact SG-CB 3.57Å; W671-S673 PolarHBondContact O-N 3.5Å; W671-K675 PolarHBondContact NE1-O 3.39Å; W671-K675 VanDerWaalsContact NE1-O 3.13Å; W671-K677 HydrophobicContact CD2-CD 4.43Å; W671-K677 HydrophobicContact CD2-CG 4.42Å; W671-K677 HydrophobicContact CH2-CG 4.36Å; W671-K677 HydrophobicContact CZ2-CB 4.27Å; W671-K677 HydrophobicContact CZ2-CG 3.91Å
672P82.6Confident78Confident39 Ų3979.3 Ų79.325%0.25336%0.363SS..BIsolated β-bridgetrans-60.7128.8179.5-20.430.9000112Y674 K675P672-Y674 HydrophobicContact CB-CD1 4.32Å; P672-Y674 HydrophobicContact CB-CE1 3.84Å; P672-Y674 HydrophobicContact CB-CE2 4.17Å; P672-Y674 PolarHBondContact O-N 3.45Å; P672-K675 HydrophobicContact CB-CB 4.1Å; P672-K675 PolarHBondContact O-N 2.71Å
673S80Confident78.8Confident1 Ų181.7 Ų81.71%0.00736%0.359CS..THydrogen-bonded Turntrans-70.1-14.1-174.253.70000114.8Y513 P645 H664 W671Y513-S673 WeakPolarHBondContact CE2-OG 3.43Å; Y513-S673 PolarHBondContact OH-OG 3.02Å; P645-S673 WeakPolarHBondContact CD-O 3.36Å; P645-S673 WeakPolarHBondContact CG-O 3.31Å; H664-S673 PolarHBondContact O-N 3.22Å; H664-S673 PolarHBondContact O-OG 2.79Å; W671-S673 PolarHBondContact O-N 3.5Å
674Y78.3Confident79.2Confident113 Ų11381.1 Ų81.144%0.44336%0.356SS..THydrogen-bonded Turntrans-101.6-4.7177.954-92.1000113.2V509 H664 P672V509-Y674 HydrophobicContact CB-CD1 4.5Å; V509-Y674 HydrophobicContact CG1-CD1 3.68Å; V509-Y674 HydrophobicContact CG1-CE1 4.12Å; V509-Y674 HydrophobicContact CG1-CG 4.1Å; V509-Y674 HydrophobicContact CG2-CD1 4.11Å; V509-Y674 HydrophobicContact CG2-CE1 3.66Å; H664-Y674 HydrophobicContact CB-CD1 4.39Å; H664-Y674 HydrophobicContact CB-CE1 4.17Å; P672-Y674 HydrophobicContact CB-CD1 4.32Å; P672-Y674 HydrophobicContact CB-CE1 3.84Å; P672-Y674 HydrophobicContact CB-CE2 4.17Å; P672-Y674 PolarHBondContact O-N 3.45Å
675K76.9Confident79Confident126 Ų12684.8 Ų84.855%0.54837%0.372SS..SBendtrans-110115.6-177.6-169.2178-179.4-178.10110.1W671 P672 K677W671-K675 PolarHBondContact NE1-O 3.39Å; W671-K675 VanDerWaalsContact NE1-O 3.13Å; P672-K675 HydrophobicContact CB-CB 4.1Å; P672-K675 PolarHBondContact O-N 2.71Å; K675-K677 PolarHBondContact O-N 2.76Å
676K74.4Confident78.7Confident165 Ų16585.2 Ų85.272%0.71738%0.377SS*.  trans-60.2132.9174.1-160.8170.8-1771760110P645P645-K676 HydrophobicContact CB-CB 4.46Å
677K62.3Low78.3Confident169 Ų16992.9 Ų92.974%0.73541%0.412SS*.  trans-810-179.6-171.3174.6179.2-173.70111.5P645 C646 W671 K675P645-K677 WeakPolarHBondContact O-CB 3.33Å; P645-K677 PolarHBondContact O-N 3.1Å; C646-K677 HydrophobicContact CB-CD 4.3Å; W671-K677 HydrophobicContact CD2-CD 4.43Å; W671-K677 HydrophobicContact CD2-CG 4.42Å; W671-K677 HydrophobicContact CH2-CG 4.36Å; W671-K677 HydrophobicContact CZ2-CB 4.27Å; W671-K677 HydrophobicContact CZ2-CG 3.91Å; K675-K677 PolarHBondContact O-N 2.76Å

Retrieved 677 of 677 residues in 595.7 ms (Link to these results)

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