A0A5K4F2R9_SCHMA Loading...

long-chain-fatty-acid--CoA ligase

AlphaFold DB , UniProt , Accession A0A5K4F2R9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 686 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
1M30.3Very low61.3Low209 Ų20980.3 Ų80.3100%1.0340%0.403SS*.  0124.70-66-161.4-179.400108.3D3M1-D3 PolarHBondContact O-N 2.81Å
2P34.8Very low63.4Low123 Ų12374.8 Ų74.880%0.79937%0.374SS*.  trans-57.6130.3165.526-30.1000106.6K4P2-K4 PolarHBondContact O-N 3.41Å
3D42.1Very low65Low80 Ų8074.6 Ų74.643%0.42837%0.366SS..  trans-45.5100.1-176.1-165.86.7000109.3M1 R5M1-D3 PolarHBondContact O-N 2.81Å; D3-R5 PolarHBondContact O-N 3.31Å; D3-R5 WeakPolarHBondContact OD1-CD 3.42Å; D3-R5 WeakPolarHBondContact OD1-CG 3.23Å; D3-R5 IonicContact OD1-CZ 2.78Å; D3-R5 IonicContact OD1-NE 3.07Å; D3-R5 PolarHBondContact OD1-NE 3.43Å; D3-R5 VanDerWaalsContact OD1-NE 3.14Å; D3-R5 VanDerWaalsContact OD2-CD 3.29Å; D3-R5 WeakPolarHBondContact OD2-CD 3.47Å; D3-R5 IonicContact OD2-CZ 3.62Å; D3-R5 IonicContact OD2-NE 3.91Å; D3-R5 IonicContact OD2-NH1 3.69Å
4K44.9Very low66.2Low189 Ų18981.1 Ų81.182%0.82239%0.391SS*.  trans-64.312.5179.4-80.8-172.3176.3-177.80112.1P2 S6P2-K4 PolarHBondContact O-N 3.41Å; K4-S6 PolarHBondContact O-N 2.88Å
5R54.7Low67.5Low163 Ų16377 Ų7762%0.61537%0.374SS*.  trans-64.1102.9169.4-73.7177.2-159.7176.2-5.2108.3D3D3-R5 PolarHBondContact O-N 3.31Å; D3-R5 WeakPolarHBondContact OD1-CD 3.42Å; D3-R5 WeakPolarHBondContact OD1-CG 3.23Å; D3-R5 IonicContact OD1-CZ 2.78Å; D3-R5 IonicContact OD1-NE 3.07Å; D3-R5 PolarHBondContact OD1-NE 3.43Å; D3-R5 VanDerWaalsContact OD1-NE 3.14Å; D3-R5 VanDerWaalsContact OD2-CD 3.29Å; D3-R5 WeakPolarHBondContact OD2-CD 3.47Å; D3-R5 IonicContact OD2-CZ 3.62Å; D3-R5 IonicContact OD2-NE 3.91Å; D3-R5 IonicContact OD2-NH1 3.69Å
6S63.2Low68.6Low20 Ų2072.6 Ų72.614%0.1435%0.353CS..  trans-15.5127.2168.2143.90000114.5K4 Y8 R13K4-S6 PolarHBondContact O-N 2.88Å; S6-Y8 PolarHBondContact O-N 3.33Å; S6-Y8 VanDerWaalsContact O-N 3.09Å; S6-Y8 WeakPolarHBondContact OG-CB 3.16Å; S6-Y8 WeakPolarHBondContact OG-CD2 3.44Å; S6-Y8 PolarHBondContact OG-N 2.99Å; S6-R13 PolarHBondContact O-NH2 3.18Å; S6-R13 PolarHBondContact OG-NE 3.28Å; S6-R13 PolarHBondContact OG-NH2 3.4Å; S6-R13 VanDerWaalsContact OG-NH2 3.09Å
7T73.5Confident69.4Low42 Ų4274.4 Ų74.426%0.25837%0.371SS..SBendtrans-66.6-6.1177.744.40000113.4S23 F24 I25T7-S23 PolarHBondContact OG1-OG 3.11Å; T7-F24 WeakPolarHBondContact OG1-CB 3.34Å; T7-F24 PolarHBondContact OG1-N 3.46Å; T7-I25 HydrophobicContact CG2-CD1 4.2Å
8Y82.4Confident70.1Confident8 Ų872.8 Ų72.83%0.03136%0.364CS..SBendtrans-72.3133.9-174.9-65.6-99.4000112.5S6 Y12 R13 I18 D19 R22 F24S6-Y8 PolarHBondContact O-N 3.33Å; S6-Y8 VanDerWaalsContact O-N 3.09Å; S6-Y8 WeakPolarHBondContact OG-CB 3.16Å; S6-Y8 WeakPolarHBondContact OG-CD2 3.44Å; S6-Y8 PolarHBondContact OG-N 2.99Å; Y8-Y12 AromaticContact CD1-CD1 3.39Å; Y8-Y12 HydrophobicContact CD1-CD1 3.39Å; Y8-Y12 AromaticContact CD1-CE1 3.32Å; Y8-Y12 HydrophobicContact CD1-CE1 3.32Å; Y8-Y12 HydrophobicContact CD1-CG 4.19Å; Y8-Y12 HydrophobicContact CE1-CD1 4.18Å; Y8-Y12 AromaticContact CE1-CE1 3.63Å; Y8-Y12 HydrophobicContact CE1-CE1 3.63Å; Y8-Y12 HydrophobicContact CG-CD1 4.19Å; Y8-Y12 HydrophobicContact CG-CE1 4.43Å; Y8-R13 PolarHBondContact O-NE 3.48Å; Y8-R13 VanDerWaalsContact O-NE 3.16Å; Y8-R13 PolarHBondContact O-NH2 3.1Å; Y8-I18 HydrophobicContact CD2-CG2 3.75Å; Y8-I18 HydrophobicContact CE2-CG2 3.62Å; Y8-I18 HydrophobicContact CG-CG2 4.21Å; Y8-D19 PolarHBondContact OH-O 2.91Å; Y8-R22 WeakPolarHBondContact CE2-O 3.44Å; Y8-R22 PolarHBondContact OH-O 3.03Å; Y8-R22 VanDerWaalsContact OH-O 3.05Å; Y8-F24 HydrophobicContact CD1-CB 3.85Å; Y8-F24 AromaticContact CD1-CD2 3.48Å; Y8-F24 HydrophobicContact CD1-CD2 3.48Å; Y8-F24 VanDerWaalsContact CD1-CD2 3.48Å; Y8-F24 HydrophobicContact CD1-CE2 4.43Å; Y8-F24 HydrophobicContact CD1-CG 4.02Å; Y8-F24 HydrophobicContact CD2-CB 4Å; Y8-F24 HydrophobicContact CE1-CB 4.07Å; Y8-F24 AromaticContact CE1-CD2 3.86Å; Y8-F24 HydrophobicContact CE1-CD2 3.86Å; Y8-F24 HydrophobicContact CE1-CG 4.45Å; Y8-F24 HydrophobicContact CE2-CB 4.23Å; Y8-F24 HydrophobicContact CG-CB 3.86Å; Y8-F24 HydrophobicContact CG-CD2 4.19Å; Y8-F24 HydrophobicContact CG-CG 4.31Å
9P83.2Confident70.6Confident2 Ų272.3 Ų72.31%0.01336%0.363CS..  trans-55.2148.1173.6-21.529.2000112.4A11 Y12 R13 F24 F384 P430P9-A11 VanDerWaalsContact C-N 3.33Å; P9-A11 PolarHBondContact O-N 2.94Å; P9-Y12 VanDerWaalsContact O-CB 3.23Å; P9-Y12 WeakPolarHBondContact O-CB 3.37Å; P9-Y12 PolarHBondContact O-N 2.93Å; P9-Y12 VanDerWaalsContact O-N 3.15Å; P9-R13 WeakPolarHBondContact O-CG 3.44Å; P9-R13 PolarHBondContact O-N 2.99Å; P9-F24 HydrophobicContact CG-CD1 4.43Å; P9-F24 HydrophobicContact CG-CE1 3.82Å; P9-F24 HydrophobicContact CG-CE2 4.36Å; P9-F24 HydrophobicContact CG-CZ 3.78Å; P9-F384 HydrophobicContact CB-CB 4.36Å; P9-F384 HydrophobicContact CG-CB 3.85Å; P9-P430 HydrophobicContact CG-CG 3.9Å
10N81.8Confident71.1Confident31 Ų3176.4 Ų76.417%0.16638%0.38CS..Hα-helixtrans-60.6-40.5179.6-77.5-18.3000113.2Y12 R13 K14 H386 R387N10-Y12 VanDerWaalsContact C-N 3.28Å; N10-Y12 PolarHBondContact O-N 3.23Å; N10-R13 PolarHBondContact O-N 3.19Å; N10-K14 PolarHBondContact O-N 3.25Å; N10-H386 PolarHBondContact ND2-O 2.96Å; N10-H386 VanDerWaalsContact ND2-O 3.16Å; N10-R387 WeakPolarHBondContact ND2-CG 3.49Å; N10-R387 PolarHBondContact ND2-NE 3.08Å; N10-R387 PolarHBondContact OD1-NE 3.47Å; N10-R387 PolarHBondContact OD1-NH2 3.45Å
11A83.6Confident71.5Confident16 Ų1677.6 Ų77.613%0.13240%0.396CS..Hα-helixtrans-62.7-39.4177.700000110.9P9 R13 K14 C15 V406 C407P9-A11 VanDerWaalsContact C-N 3.33Å; P9-A11 PolarHBondContact O-N 2.94Å; A11-R13 PolarHBondContact O-N 3.01Å; A11-K14 WeakPolarHBondContact O-CB 3.49Å; A11-K14 PolarHBondContact O-N 3.31Å; A11-K14 VanDerWaalsContact O-N 3.16Å; A11-C15 PolarHBondContact O-N 3.37Å; A11-C15 PolarHBondContact O-SG 2.71Å; A11-V406 WeakPolarHBondContact CB-O 3.31Å; A11-C407 HydrophobicContact CB-CB 4.12Å
12Y86.3Confident73.7Confident14 Ų1474.1 Ų74.16%0.05537%0.371CS..Hα-helixtrans-55.4-49.6174.3-172.6-83.9000111.8Y8 P9 N10 K14 C15 F16 F24 K285 C407Y8-Y12 AromaticContact CD1-CD1 3.39Å; Y8-Y12 HydrophobicContact CD1-CD1 3.39Å; Y8-Y12 AromaticContact CD1-CE1 3.32Å; Y8-Y12 HydrophobicContact CD1-CE1 3.32Å; Y8-Y12 HydrophobicContact CD1-CG 4.19Å; Y8-Y12 HydrophobicContact CE1-CD1 4.18Å; Y8-Y12 AromaticContact CE1-CE1 3.63Å; Y8-Y12 HydrophobicContact CE1-CE1 3.63Å; Y8-Y12 HydrophobicContact CG-CD1 4.19Å; Y8-Y12 HydrophobicContact CG-CE1 4.43Å; P9-Y12 VanDerWaalsContact O-CB 3.23Å; P9-Y12 WeakPolarHBondContact O-CB 3.37Å; P9-Y12 PolarHBondContact O-N 2.93Å; P9-Y12 VanDerWaalsContact O-N 3.15Å; N10-Y12 VanDerWaalsContact C-N 3.28Å; N10-Y12 PolarHBondContact O-N 3.23Å; Y12-K14 PolarHBondContact O-N 3.49Å; Y12-K14 VanDerWaalsContact O-N 3.13Å; Y12-C15 PolarHBondContact O-N 3.46Å; Y12-F16 HydrophobicContact CD1-CB 4.23Å; Y12-F16 HydrophobicContact CD1-CD2 4.27Å; Y12-F16 AromaticContact CD2-CD2 3.41Å; Y12-F16 HydrophobicContact CD2-CD2 3.41Å; Y12-F16 VanDerWaalsContact CD2-CD2 3.41Å; Y12-F16 AromaticContact CD2-CE2 3.93Å; Y12-F16 HydrophobicContact CD2-CE2 3.93Å; Y12-F16 HydrophobicContact CD2-CG 4.46Å; Y12-F16 HydrophobicContact CE1-CB 3.71Å; Y12-F16 HydrophobicContact CE1-CD2 4.18Å; Y12-F16 HydrophobicContact CE1-CG 4.41Å; Y12-F16 HydrophobicContact CE2-CB 4.16Å; Y12-F16 AromaticContact CE2-CD2 3.23Å; Y12-F16 HydrophobicContact CE2-CD2 3.23Å; Y12-F16 AromaticContact CE2-CE2 3.83Å; Y12-F16 HydrophobicContact CE2-CE2 3.83Å; Y12-F16 AromaticContact CE2-CG 3.99Å; Y12-F16 HydrophobicContact CE2-CG 3.99Å; Y12-F16 AromaticContact CG-CD2 3.92Å; Y12-F16 HydrophobicContact CG-CD2 3.92Å; Y12-F16 AromaticContact CZ-CD2 3.69Å; Y12-F16 PolarHBondContact O-N 3.14Å; Y12-F24 HydrophobicContact CD2-CE2 4.06Å; Y12-F24 HydrophobicContact CE2-CE2 4.32Å; Y12-F24 HydrophobicContact CG-CE2 4.47Å; Y12-K285 WeakPolarHBondContact CE2-O 3.39Å; Y12-K285 PolarHBondContact OH-O 3.32Å; Y12-C407 HydrophobicContact CD2-CB 4.43Å
13R83.7Confident76.1Confident73 Ų7370.9 Ų70.928%0.27535%0.351SS..Hα-helixtrans-63.1-21.4-179-54.1-173.8-169.3-173.62.1114.4S6 Y8 P9 N10 A11 I18S6-R13 PolarHBondContact O-NH2 3.18Å; S6-R13 PolarHBondContact OG-NE 3.28Å; S6-R13 PolarHBondContact OG-NH2 3.4Å; S6-R13 VanDerWaalsContact OG-NH2 3.09Å; Y8-R13 PolarHBondContact O-NE 3.48Å; Y8-R13 VanDerWaalsContact O-NE 3.16Å; Y8-R13 PolarHBondContact O-NH2 3.1Å; P9-R13 WeakPolarHBondContact O-CG 3.44Å; P9-R13 PolarHBondContact O-N 2.99Å; N10-R13 PolarHBondContact O-N 3.19Å; A11-R13 PolarHBondContact O-N 3.01Å; R13-I18 HydrophobicContact CB-CD1 3.91Å; R13-I18 HydrophobicContact CB-CG1 4.46Å; R13-I18 HydrophobicContact CG-CD1 3.43Å; R13-I18 VanDerWaalsContact CG-CD1 3.43Å; R13-I18 HydrophobicContact CG-CG1 4.12Å
14K83Confident78.1Confident165 Ų16567.1 Ų67.172%0.71733%0.331SS*.Hα-helixtrans-83.6-21176.4-66.9178.2179.4-174.70112.3N10 A11 Y12N10-K14 PolarHBondContact O-N 3.25Å; A11-K14 WeakPolarHBondContact O-CB 3.49Å; A11-K14 PolarHBondContact O-N 3.31Å; A11-K14 VanDerWaalsContact O-N 3.16Å; Y12-K14 PolarHBondContact O-N 3.49Å; Y12-K14 VanDerWaalsContact O-N 3.13Å
15C84.5Confident80.3Confident20 Ų2059.6 Ų59.614%0.13530%0.3CS..Hα-helixtrans-105.6-29.6-174-55.70000112A11 Y12 T338A11-C15 PolarHBondContact O-N 3.37Å; A11-C15 PolarHBondContact O-SG 2.71Å; Y12-C15 PolarHBondContact O-N 3.46Å; C15-T338 HydrophobicContact CB-CG2 4.03Å
16F85.4Confident82.1Confident7 Ų752.1 Ų52.13%0.03127%0.272CS..SBendtrans-135.6146.4-168.2-52.1-59.3000112.7Y12 N288 N290 T338Y12-F16 HydrophobicContact CD1-CB 4.23Å; Y12-F16 HydrophobicContact CD1-CD2 4.27Å; Y12-F16 AromaticContact CD2-CD2 3.41Å; Y12-F16 HydrophobicContact CD2-CD2 3.41Å; Y12-F16 VanDerWaalsContact CD2-CD2 3.41Å; Y12-F16 AromaticContact CD2-CE2 3.93Å; Y12-F16 HydrophobicContact CD2-CE2 3.93Å; Y12-F16 HydrophobicContact CD2-CG 4.46Å; Y12-F16 HydrophobicContact CE1-CB 3.71Å; Y12-F16 HydrophobicContact CE1-CD2 4.18Å; Y12-F16 HydrophobicContact CE1-CG 4.41Å; Y12-F16 HydrophobicContact CE2-CB 4.16Å; Y12-F16 AromaticContact CE2-CD2 3.23Å; Y12-F16 HydrophobicContact CE2-CD2 3.23Å; Y12-F16 AromaticContact CE2-CE2 3.83Å; Y12-F16 HydrophobicContact CE2-CE2 3.83Å; Y12-F16 AromaticContact CE2-CG 3.99Å; Y12-F16 HydrophobicContact CE2-CG 3.99Å; Y12-F16 AromaticContact CG-CD2 3.92Å; Y12-F16 HydrophobicContact CG-CD2 3.92Å; Y12-F16 AromaticContact CZ-CD2 3.69Å; Y12-F16 PolarHBondContact O-N 3.14Å; F16-N288 WeakPolarHBondContact CD1-ND2 3.32Å; F16-N288 VanDerWaalsContact CD1-OD1 3.3Å; F16-N288 WeakPolarHBondContact CD1-OD1 3.49Å; F16-N288 WeakPolarHBondContact CE1-ND2 3.36Å; F16-N288 VanDerWaalsContact CE1-OD1 3.27Å; F16-N288 WeakPolarHBondContact CE1-OD1 3.35Å; F16-N290 HydrophobicContact CD1-CB 4.4Å; F16-N290 HydrophobicContact CE1-CB 4.4Å; F16-T338 HydrophobicContact CZ-CG2 4.33Å
17P82.3Confident83.5Confident103 Ų10357 Ų5767%0.66930%0.301SS*.  trans-62.3143.7169.927.8-33.5000110.5
18I81.8Confident84.5Confident45 Ų4557 Ų5723%0.23130%0.298CS..  trans-97.8120.9-179.4-56.2172.7000108.9Y8 R13 H20Y8-I18 HydrophobicContact CD2-CG2 3.75Å; Y8-I18 HydrophobicContact CE2-CG2 3.62Å; Y8-I18 HydrophobicContact CG-CG2 4.21Å; R13-I18 HydrophobicContact CB-CD1 3.91Å; R13-I18 HydrophobicContact CB-CG1 4.46Å; R13-I18 HydrophobicContact CG-CD1 3.43Å; R13-I18 VanDerWaalsContact CG-CD1 3.43Å; R13-I18 HydrophobicContact CG-CG1 4.12Å; I18-H20 PolarHBondContact O-N 3.07Å
19D80.2Confident85Confident64 Ų6457.6 Ų57.634%0.34230%0.302SS..  trans-81.6102.6163.5-176.6-3.3000109.2Y8 S21 R22Y8-D19 PolarHBondContact OH-O 2.91Å; D19-S21 VanDerWaalsContact CG-OG 3.23Å; D19-S21 PolarHBondContact O-N 2.87Å; D19-S21 WeakPolarHBondContact OD1-CA 3.22Å; D19-S21 VanDerWaalsContact OD1-CB 3.27Å; D19-S21 WeakPolarHBondContact OD1-CB 3.48Å; D19-S21 PolarHBondContact OD1-N 3.33Å; D19-S21 PolarHBondContact OD1-OG 2.86Å; D19-S21 PolarHBondContact OD2-OG 2.79Å; D19-R22 HydrophobicContact CB-CB 4.46Å; D19-R22 PolarHBondContact O-N 3.41Å; D19-R22 VanDerWaalsContact O-O 3.04Å; D19-R22 WeakPolarHBondContact OD2-CD 3.35Å; D19-R22 VanDerWaalsContact OD2-CG 3.28Å; D19-R22 WeakPolarHBondContact OD2-CG 3.3Å; D19-R22 IonicContact OD2-NE 2.61Å; D19-R22 PolarHBondContact OD2-NE 3.18Å
20H79.8Confident85.5Confident153 Ų15362.8 Ų62.871%0.70833%0.329SS*.THydrogen-bonded Turntrans-69.9-14.5178.7-72.7-78000113.5I18 R22I18-H20 PolarHBondContact O-N 3.07Å; H20-R22 VanDerWaalsContact C-N 3.3Å
21S79.6Confident86.1Confident102 Ų10266.7 Ų66.771%0.71335%0.347SS*.THydrogen-bonded Turntrans-78.2-17.7174.777.90000112.6D19D19-S21 VanDerWaalsContact CG-OG 3.23Å; D19-S21 PolarHBondContact O-N 2.87Å; D19-S21 WeakPolarHBondContact OD1-CA 3.22Å; D19-S21 VanDerWaalsContact OD1-CB 3.27Å; D19-S21 WeakPolarHBondContact OD1-CB 3.48Å; D19-S21 PolarHBondContact OD1-N 3.33Å; D19-S21 PolarHBondContact OD1-OG 2.86Å; D19-S21 PolarHBondContact OD2-OG 2.79Å
22R76.6Confident86.7Confident137 Ų13766.1 Ų66.152%0.51734%0.341SS..SBendtrans-116.2139-176.6-66.3-178.2-176.9-176.70.7112Y8 D19 H20Y8-R22 WeakPolarHBondContact CE2-O 3.44Å; Y8-R22 PolarHBondContact OH-O 3.03Å; Y8-R22 VanDerWaalsContact OH-O 3.05Å; D19-R22 HydrophobicContact CB-CB 4.46Å; D19-R22 PolarHBondContact O-N 3.41Å; D19-R22 VanDerWaalsContact O-O 3.04Å; D19-R22 WeakPolarHBondContact OD2-CD 3.35Å; D19-R22 VanDerWaalsContact OD2-CG 3.28Å; D19-R22 WeakPolarHBondContact OD2-CG 3.3Å; D19-R22 IonicContact OD2-NE 2.61Å; D19-R22 PolarHBondContact OD2-NE 3.18Å; H20-R22 VanDerWaalsContact C-N 3.3Å
23S84.7Confident87.2Confident54 Ų5465.6 Ų65.638%0.37834%0.339SS..  trans-69.4141.2166.7-178.40000109.9T7 I25 K285T7-S23 PolarHBondContact OG1-OG 3.11Å; S23-I25 VanDerWaalsContact C-N 3.29Å; S23-I25 PolarHBondContact OG-N 3.29Å; S23-I25 VanDerWaalsContact OG-N 3.15Å; S23-I25 PolarHBondContact OG-O 3.04Å; S23-K285 VanDerWaalsContact O-CE 3.31Å; S23-K285 WeakPolarHBondContact O-CE 3.43Å; S23-K285 PolarHBondContact O-NZ 3.4Å
24F85.8Confident87.9Confident2 Ų264.2 Ų64.21%0.00934%0.337CS..SBendtrans-57.7-46.7165.9-178.7-109.6000110.4T7 Y8 P9 Y12 K285 I286 F384 P430 V449T7-F24 WeakPolarHBondContact OG1-CB 3.34Å; T7-F24 PolarHBondContact OG1-N 3.46Å; Y8-F24 HydrophobicContact CD1-CB 3.85Å; Y8-F24 AromaticContact CD1-CD2 3.48Å; Y8-F24 HydrophobicContact CD1-CD2 3.48Å; Y8-F24 VanDerWaalsContact CD1-CD2 3.48Å; Y8-F24 HydrophobicContact CD1-CE2 4.43Å; Y8-F24 HydrophobicContact CD1-CG 4.02Å; Y8-F24 HydrophobicContact CD2-CB 4Å; Y8-F24 HydrophobicContact CE1-CB 4.07Å; Y8-F24 AromaticContact CE1-CD2 3.86Å; Y8-F24 HydrophobicContact CE1-CD2 3.86Å; Y8-F24 HydrophobicContact CE1-CG 4.45Å; Y8-F24 HydrophobicContact CE2-CB 4.23Å; Y8-F24 HydrophobicContact CG-CB 3.86Å; Y8-F24 HydrophobicContact CG-CD2 4.19Å; Y8-F24 HydrophobicContact CG-CG 4.31Å; P9-F24 HydrophobicContact CG-CD1 4.43Å; P9-F24 HydrophobicContact CG-CE1 3.82Å; P9-F24 HydrophobicContact CG-CE2 4.36Å; P9-F24 HydrophobicContact CG-CZ 3.78Å; Y12-F24 HydrophobicContact CD2-CE2 4.06Å; Y12-F24 HydrophobicContact CE2-CE2 4.32Å; Y12-F24 HydrophobicContact CG-CE2 4.47Å; F24-K285 WeakPolarHBondContact O-CD 3.48Å; F24-K285 PolarHBondContact O-NZ 3.1Å; F24-K285 VanDerWaalsContact O-NZ 3.13Å; F24-I286 HydrophobicContact CE2-CD1 3.97Å; F24-I286 HydrophobicContact CZ-CD1 4.06Å; F24-F384 HydrophobicContact CD1-CD2 4.35Å; F24-F384 HydrophobicContact CE1-CD2 4.45Å; F24-P430 HydrophobicContact CE1-CG 3.8Å; F24-P430 HydrophobicContact CZ-CG 4.03Å; F24-V449 HydrophobicContact CD1-CG1 4.2Å; F24-V449 HydrophobicContact CD2-CG1 4.36Å; F24-V449 HydrophobicContact CE1-CG1 3.93Å; F24-V449 HydrophobicContact CE2-CG1 4.11Å; F24-V449 HydrophobicContact CG-CG1 4.4Å; F24-V449 HydrophobicContact CZ-CG1 3.88Å; F24-V449 WeakPolarHBondContact O-CG1 3.41Å
25I90.7Very high88.5Confident31 Ų3160.8 Ų60.816%0.15933%0.326CS..SBendtrans-67.7136.1-178.6-56.6171.3000110.1T7 S23 L29 F384 V449T7-I25 HydrophobicContact CG2-CD1 4.2Å; S23-I25 VanDerWaalsContact C-N 3.29Å; S23-I25 PolarHBondContact OG-N 3.29Å; S23-I25 VanDerWaalsContact OG-N 3.15Å; S23-I25 PolarHBondContact OG-O 3.04Å; I25-L29 HydrophobicContact CG2-CB 4.36Å; I25-L29 HydrophobicContact CG2-CD2 3.69Å; I25-F384 HydrophobicContact CD1-CE2 4.13Å; I25-F384 HydrophobicContact CG1-CE2 4.06Å; I25-V449 WeakPolarHBondContact CA-O 3.25Å
26S92Very high89Confident6 Ų661.6 Ų61.64%0.04233%0.331CS..  trans-60.9137.6175.8-167.20000111.6H28 L29 E283 V449S26-H28 PolarHBondContact O-N 3.39Å; S26-H28 PolarHBondContact OG-N 3.03Å; S26-L29 WeakPolarHBondContact O-CB 3.35Å; S26-L29 PolarHBondContact O-N 3.09Å; S26-E283 VanDerWaalsContact CA-OE1 3.3Å; S26-E283 WeakPolarHBondContact CA-OE1 3.15Å; S26-E283 WeakPolarHBondContact CB-OE1 3.49Å; S26-E283 PolarHBondContact OG-OE1 3.11Å; S26-V449 PolarHBondContact N-O 3.07Å
27V92.4Very high89.5Confident123 Ų12363.9 Ų63.975%0.74534%0.344SS*.THydrogen-bonded Turntrans-68-18.7170-62.30000111.9
28H93.7Very high90.1Very high42 Ų4264.5 Ų64.519%0.19435%0.348CS..THydrogen-bonded Turntrans-93.18179.9-56.8-64000113.3S26 N30 Q31 Q32 P46S26-H28 PolarHBondContact O-N 3.39Å; S26-H28 PolarHBondContact OG-N 3.03Å; H28-N30 PolarHBondContact O-N 3Å; H28-N30 VanDerWaalsContact O-N 3.07Å; H28-Q31 CarbonylContact O-C 3.58Å; H28-Q31 PolarHBondContact O-N 3.05Å; H28-Q32 PolarHBondContact O-N 3Å; H28-P46 HydrophobicContact CB-CG 3.7Å
29L93.1Very high90.6Very high19 Ų1971.7 Ų71.710%0.09938%0.378CS..THydrogen-bonded Turntrans-54.9-33.4-175.4178.562.5000113.4I25 S26 Q32 E451 R453I25-L29 HydrophobicContact CG2-CB 4.36Å; I25-L29 HydrophobicContact CG2-CD2 3.69Å; S26-L29 WeakPolarHBondContact O-CB 3.35Å; S26-L29 PolarHBondContact O-N 3.09Å; L29-Q32 WeakPolarHBondContact O-CG 3.49Å; L29-Q32 PolarHBondContact O-NE2 2.89Å; L29-E451 HydrophobicContact CD1-CB 4.17Å; L29-R453 VanDerWaalsContact CD1-NH2 3.34Å; L29-R453 PolarHBondContact O-NH2 3.15Å
30N94.4Very high91.2Very high111 Ų11171.5 Ų71.559%0.59438%0.379SS*.THydrogen-bonded Turntrans-102.78179.4-62.9-36.1000113.7H28 R453H28-N30 PolarHBondContact O-N 3Å; H28-N30 VanDerWaalsContact O-N 3.07Å; N30-R453 PolarHBondContact OD1-NH1 3.4Å; N30-R453 VanDerWaalsContact OD1-NH1 3.07Å
31Q95.5Very high91.9Very high114 Ų11465.7 Ų65.753%0.53336%0.361SS..  trans-149.469.4175.4-171.4-17817.700107.5H28 S33 I34 P46 E525H28-Q31 CarbonylContact O-C 3.58Å; H28-Q31 PolarHBondContact O-N 3.05Å; Q31-S33 VanDerWaalsContact C-N 3.28Å; Q31-S33 PolarHBondContact O-N 3.42Å; Q31-I34 HydrophobicContact CG-CG2 4.13Å; Q31-P46 VanDerWaalsContact O-CG 3.32Å; Q31-P46 WeakPolarHBondContact O-CG 3.49Å; Q31-E525 CarbonylContact C-O 3.55Å; Q31-E525 WeakPolarHBondContact CA-O 3.44Å
32Q95.8Very high92.8Very high4 Ų460.9 Ų60.92%0.01933%0.327CS..  trans-78.1-15-169.4-56.1-173.314.100113.1H28 L29 P46 S448 E451 G459 E525 S527H28-Q32 PolarHBondContact O-N 3Å; L29-Q32 WeakPolarHBondContact O-CG 3.49Å; L29-Q32 PolarHBondContact O-NE2 2.89Å; Q32-P46 VanDerWaalsContact O-CD 3.24Å; Q32-P46 WeakPolarHBondContact O-CD 3.43Å; Q32-S448 WeakPolarHBondContact CG-OG 3.47Å; Q32-E451 PolarHBondContact NE2-OE2 3.23Å; Q32-G459 WeakPolarHBondContact O-CA 3.43Å; Q32-E525 PolarHBondContact N-O 3.36Å; Q32-S527 PolarHBondContact OE1-OG 2.98Å
33S97Very high93.8Very high2 Ų256.4 Ų56.41%0.01431%0.31CS..  trans-150.3149.7170.663.20000110.7Q31 R43 R44 G526Q31-S33 VanDerWaalsContact C-N 3.28Å; Q31-S33 PolarHBondContact O-N 3.42Å; S33-R43 PolarHBondContact O-NH2 3.17Å; S33-R43 PolarHBondContact OG-NE 3.22Å; S33-R43 PolarHBondContact OG-NH2 3Å; S33-R44 WeakPolarHBondContact CA-O 3.49Å; S33-G526 WeakPolarHBondContact CB-O 3.17Å; S33-G526 WeakPolarHBondContact OG-CA 3.36Å; S33-G526 PolarHBondContact OG-O 3.13Å
34I96.6Very high94.4Very high44 Ų4460.1 Ų60.123%0.22632%0.316CS..EExtended strand (participates in β ladder)trans-116.5145.6177.356.9172.3000109.5Q31 S36 R43 R44 P46Q31-I34 HydrophobicContact CG-CG2 4.13Å; I34-S36 PolarHBondContact O-N 2.8Å; I34-R43 CarbonylContact O-C 3.58Å; I34-R43 WeakPolarHBondContact O-CA 3.36Å; I34-R44 HydrophobicContact CD1-CG 4.14Å; I34-R44 HydrophobicContact CG1-CG 3.75Å; I34-R44 PolarHBondContact N-O 2.76Å; I34-R44 PolarHBondContact O-N 3.37Å; I34-P46 HydrophobicContact CG2-CB 4.17Å
35I96.8Very high94.9Very high94 Ų9460.6 Ų60.648%0.48232%0.319SS..EExtended strand (participates in β ladder)trans-68.2117.8174-62.3172.5000107.9D37 P38 A42 R43I35-D37 WeakPolarHBondContact CG2-O 3.3Å; I35-P38 HydrophobicContact CG2-CG 4.39Å; I35-A42 CarbonylContact C-O 3.59Å; I35-A42 WeakPolarHBondContact CA-O 3.27Å; I35-R43 HydrophobicContact CG1-CG 4.4Å
36S95.3Very high95.1Very high36 Ų3660 Ų6025%0.25232%0.317SS..EExtended strand (participates in β ladder)trans-87.6-30.3173.452.40000112.3I34 A42 E465I34-S36 PolarHBondContact O-N 2.8Å; S36-A42 PolarHBondContact N-O 3.29Å; S36-A42 PolarHBondContact OG-O 3.45Å; S36-E465 PolarHBondContact OG-OE1 3.36Å
37D95.7Very high95.2Very high55 Ų5560.8 Ų60.829%0.29432%0.321SS..EExtended strand (participates in β ladder)trans-134.4107.4176.8176.67.1000110.5I35 K39 T40 G41 A42I35-D37 WeakPolarHBondContact CG2-O 3.3Å; D37-K39 PolarHBondContact O-N 3.1Å; D37-K39 VanDerWaalsContact OD1-CB 3.31Å; D37-K39 WeakPolarHBondContact OD1-CB 3.33Å; D37-K39 PolarHBondContact OD1-N 3.45Å; D37-T40 WeakPolarHBondContact CB-OG1 3.31Å; D37-T40 WeakPolarHBondContact OD2-CB 3.36Å; D37-T40 WeakPolarHBondContact OD2-CG2 3.48Å; D37-T40 PolarHBondContact OD2-OG1 2.71Å; D37-G41 CarbonylContact O-C 3.59Å; D37-G41 VanDerWaalsContact O-CA 3.31Å; D37-G41 WeakPolarHBondContact O-CA 3.45Å; D37-G41 PolarHBondContact O-N 3.28Å; D37-A42 HydrophobicContact CB-CB 4.1Å; D37-A42 PolarHBondContact N-O 3.17Å; D37-A42 PolarHBondContact O-N 3.24Å
38P93.8Very high94.8Very high117 Ų11760.4 Ų60.476%0.7632%0.319SS*.THydrogen-bonded Turntrans-62.5-25.1177.8-23.634.5000114.6I35I35-P38 HydrophobicContact CG2-CG 4.39Å
39K93.2Very high94.4Very high195 Ų19562.3 Ų62.385%0.84833%0.326SS*.THydrogen-bonded Turntrans-74.2-44.8-177.3-176.2-176.1176.1-173.80111.4D37D37-K39 PolarHBondContact O-N 3.1Å; D37-K39 VanDerWaalsContact OD1-CB 3.31Å; D37-K39 WeakPolarHBondContact OD1-CB 3.33Å; D37-K39 PolarHBondContact OD1-N 3.45Å
40T92.6Very high93.9Very high61 Ų6165.8 Ų65.837%0.37434%0.341SS..THydrogen-bonded Turntrans-92.7-12.2179.659.10000112.9D37 A42D37-T40 WeakPolarHBondContact CB-OG1 3.31Å; D37-T40 WeakPolarHBondContact OD2-CB 3.36Å; D37-T40 WeakPolarHBondContact OD2-CG2 3.48Å; D37-T40 PolarHBondContact OD2-OG1 2.71Å; T40-A42 PolarHBondContact O-N 3.42Å; T40-A42 WeakPolarHBondContact OG1-CB 3.2Å; T40-A42 PolarHBondContact OG1-N 3.33Å
41G95.1Very high93.4Very high31 Ų3161 Ų6132%0.3232%0.315SS..THydrogen-bonded Turntrans70.313.9-170.800000113.2D37 R43D37-G41 CarbonylContact O-C 3.59Å; D37-G41 VanDerWaalsContact O-CA 3.31Å; D37-G41 WeakPolarHBondContact O-CA 3.45Å; D37-G41 PolarHBondContact O-N 3.28Å; G41-R43 WeakPolarHBondContact O-CG 3.32Å
42A97.4Very high92.8Very high1 Ų161.3 Ų61.31%0.00833%0.325CS..EExtended strand (participates in β ladder)trans-60.2141.2178.700000110.7I35 S36 D37 T40 L466 K467 W513I35-A42 CarbonylContact C-O 3.59Å; I35-A42 WeakPolarHBondContact CA-O 3.27Å; S36-A42 PolarHBondContact N-O 3.29Å; S36-A42 PolarHBondContact OG-O 3.45Å; D37-A42 HydrophobicContact CB-CB 4.1Å; D37-A42 PolarHBondContact N-O 3.17Å; D37-A42 PolarHBondContact O-N 3.24Å; T40-A42 PolarHBondContact O-N 3.42Å; T40-A42 WeakPolarHBondContact OG1-CB 3.2Å; T40-A42 PolarHBondContact OG1-N 3.33Å; A42-L466 CarbonylContact C-O 3.41Å; A42-L466 WeakPolarHBondContact CA-O 3.19Å; A42-K467 HydrophobicContact CB-CB 4.17Å; A42-W513 HydrophobicContact CB-CH2 3.96Å; A42-W513 HydrophobicContact CB-CZ2 4.34Å
43R98.1Very high92.2Very high42 Ų4262.9 Ų62.916%0.15833%0.333CS..EExtended strand (participates in β ladder)trans-124148.7-176.7-51.7-17577.5110.7-4.7110.5S33 I34 I35 G41 V460 E465 L466 W522S33-R43 PolarHBondContact O-NH2 3.17Å; S33-R43 PolarHBondContact OG-NE 3.22Å; S33-R43 PolarHBondContact OG-NH2 3Å; I34-R43 CarbonylContact O-C 3.58Å; I34-R43 WeakPolarHBondContact O-CA 3.36Å; I35-R43 HydrophobicContact CG1-CG 4.4Å; G41-R43 WeakPolarHBondContact O-CG 3.32Å; R43-V460 HydrophobicContact CB-CG2 4.18Å; R43-E465 CarbonylContact O-C 3.58Å; R43-E465 VanDerWaalsContact O-CA 3.29Å; R43-E465 WeakPolarHBondContact O-CA 3.46Å; R43-L466 PolarHBondContact N-O 3.35Å; R43-L466 PolarHBondContact O-N 2.87Å; R43-W522 HydrophobicContact CB-CH2 4.36Å; R43-W522 HydrophobicContact CB-CZ2 4.22Å; R43-W522 VanDerWaalsContact CD-CD2 3.49Å; R43-W522 HydrophobicContact CG-CZ2 4.06Å
44R97.2Very high91.6Very high132 Ų13264.1 Ų64.150%0.49834%0.338SS..EExtended strand (participates in β ladder)trans-132.1169.8173.968.3178.8178.4-176.41111.4S33 I34 E465S33-R44 WeakPolarHBondContact CA-O 3.49Å; I34-R44 HydrophobicContact CD1-CG 4.14Å; I34-R44 HydrophobicContact CG1-CG 3.75Å; I34-R44 PolarHBondContact N-O 2.76Å; I34-R44 PolarHBondContact O-N 3.37Å; R44-E465 HydrophobicContact CB-CG 4.48Å
45S96.8Very high91Very high12 Ų1266.3 Ų66.38%0.08436%0.358CS..  trans-61.5140.5172.6-163.10000111.7I47 V460S45-I47 PolarHBondContact OG-N 2.91Å; S45-V460 WeakPolarHBondContact CA-O 3.28Å; S45-V460 WeakPolarHBondContact CB-O 3.3Å; S45-V460 PolarHBondContact OG-O 3.24Å
46P95.5Very high90.7Very high19 Ų1970.2 Ų70.212%0.12337%0.367CS..  trans-77.3-9.5168.937.2-41.3000112.4H28 Q31 Q32 I34 V48H28-P46 HydrophobicContact CB-CG 3.7Å; Q31-P46 VanDerWaalsContact O-CG 3.32Å; Q31-P46 WeakPolarHBondContact O-CG 3.49Å; Q32-P46 VanDerWaalsContact O-CD 3.24Å; Q32-P46 WeakPolarHBondContact O-CD 3.43Å; I34-P46 HydrophobicContact CG2-CB 4.17Å; P46-V48 PolarHBondContact O-N 2.91Å
47I92.9Very high90.7Very high22 Ų2268.5 Ų68.511%0.11336%0.355CS..PPolyproline II helixtrans-73.4129.3-173.6-64.2170.6000109.2S45 E283S45-I47 PolarHBondContact OG-N 2.91Å; I47-E283 HydrophobicContact CD1-CG 4.47Å
48V84.9Confident90.7Very high116 Ų11669.3 Ų69.370%0.70336%0.356SS*.PPolyproline II helixtrans-89.1132.2172.1-176.70000109P46 K50P46-V48 PolarHBondContact O-N 2.91Å; V48-K50 PolarHBondContact O-N 3.27Å
49K84.2Confident90.9Very high81 Ų8163.9 Ų63.935%0.35232%0.321SS..PPolyproline II helixtrans-50.4132.5179.2-172.2179.1156.9-179.50112.8F51 E54 E280 Y462K49-F51 WeakPolarHBondContact CE-O 3.34Å; K49-E54 WeakPolarHBondContact CD-OE2 3.04Å; K49-E54 WeakPolarHBondContact CE-OE2 3.27Å; K49-E54 VanDerWaalsContact NZ-CB 3.33Å; K49-E54 VanDerWaalsContact NZ-CD 3.27Å; K49-E54 IonicContact NZ-OE1 3.97Å; K49-E54 IonicContact NZ-OE2 3.66Å; K49-E54 PolarHBondContact NZ-OE2 3.41Å; K49-E280 WeakPolarHBondContact CG-OE1 3.49Å; K49-Y462 HydrophobicContact CB-CE1 4.49Å; K49-Y462 HydrophobicContact CB-CE2 3.81Å; K49-Y462 WeakPolarHBondContact CB-OH 3.3Å; K49-Y462 HydrophobicContact CD-CE1 4.5Å; K49-Y462 WeakPolarHBondContact CD-OH 3.29Å; K49-Y462 HydrophobicContact CG-CE1 4.39Å
50K82.9Confident91.2Very high92 Ų9254.6 Ų54.640%0.428%0.281SS..  trans-113.4-22.5172.2-67.5179.6-175.6166.30113.5V48 T52 E280 F284V48-K50 PolarHBondContact O-N 3.27Å; K50-T52 PolarHBondContact O-N 3.49Å; K50-E280 VanDerWaalsContact N-CD 3.27Å; K50-E280 PolarHBondContact N-OE1 2.9Å; K50-E280 PolarHBondContact N-OE2 3.47Å; K50-F284 HydrophobicContact CB-CE2 4.42Å
51F83.5Confident91.4Very high12 Ų1252.9 Ų52.95%0.05327%0.268CS..  trans-72.196.1-177-167.8-110.2000110.4K49 D53 E54 V57 Y66 I276 E280 F284 L313K49-F51 WeakPolarHBondContact CE-O 3.34Å; F51-D53 VanDerWaalsContact C-N 3.32Å; F51-D53 VanDerWaalsContact CE1-C 3.47Å; F51-D53 HydrophobicContact CE1-CB 4.2Å; F51-D53 HydrophobicContact CZ-CB 3.99Å; F51-D53 PolarHBondContact O-N 3.13Å; F51-E54 HydrophobicContact CD1-CB 3.96Å; F51-E54 HydrophobicContact CE1-CB 4.4Å; F51-V57 HydrophobicContact CE1-CB 4.25Å; F51-V57 HydrophobicContact CE1-CG2 4.19Å; F51-V57 HydrophobicContact CZ-CB 4.48Å; F51-V57 HydrophobicContact CZ-CG2 3.98Å; F51-Y66 HydrophobicContact CE2-CE1 4.26Å; F51-Y66 AromaticContact CE2-CZ 3.97Å; F51-Y66 HydrophobicContact CZ-CE1 4.47Å; F51-Y66 HydrophobicContact CZ-CE2 4.27Å; F51-I276 HydrophobicContact CB-CG2 4.12Å; F51-I276 HydrophobicContact CD1-CD1 3.79Å; F51-I276 HydrophobicContact CD1-CG1 3.95Å; F51-I276 HydrophobicContact CD1-CG2 3.96Å; F51-I276 HydrophobicContact CE1-CD1 3.73Å; F51-I276 HydrophobicContact CE1-CG1 4.01Å; F51-I276 HydrophobicContact CG-CG2 4.24Å; F51-E280 VanDerWaalsContact CB-OE1 3.25Å; F51-E280 WeakPolarHBondContact CB-OE1 3.42Å; F51-E280 PolarHBondContact N-OE1 2.95Å; F51-F284 HydrophobicContact CB-CE2 4.37Å; F51-F284 HydrophobicContact CB-CZ 3.9Å; F51-F284 HydrophobicContact CD2-CE1 4.12Å; F51-F284 AromaticContact CD2-CZ 3.79Å; F51-F284 HydrophobicContact CD2-CZ 3.79Å; F51-F284 HydrophobicContact CG-CZ 4.21Å; F51-L313 HydrophobicContact CZ-CD1 4.49Å
52T83.8Confident91.5Very high120 Ų12052.9 Ų52.974%0.73626%0.261SS*.THydrogen-bonded Turntrans-73.7-23.9-174.950.10000113.3K50 E54K50-T52 PolarHBondContact O-N 3.49Å; T52-E54 VanDerWaalsContact C-N 3.33Å; T52-E54 PolarHBondContact O-N 3.34Å
53D84.1Confident91.5Very high36 Ų3652.8 Ų52.819%0.19326%0.26CS..THydrogen-bonded Turntrans-91.318.3-174.9-65.5-48000113.8F51 S55 R56 V57 Y66F51-D53 VanDerWaalsContact C-N 3.32Å; F51-D53 VanDerWaalsContact CE1-C 3.47Å; F51-D53 HydrophobicContact CE1-CB 4.2Å; F51-D53 HydrophobicContact CZ-CB 3.99Å; F51-D53 PolarHBondContact O-N 3.13Å; D53-S55 PolarHBondContact O-N 3.47Å; D53-S55 VanDerWaalsContact O-N 3.07Å; D53-R56 HydrophobicContact CB-CB 4.43Å; D53-R56 WeakPolarHBondContact O-CA 3.21Å; D53-R56 WeakPolarHBondContact O-CB 3.41Å; D53-R56 PolarHBondContact O-N 3.26Å; D53-R56 IonicContact OD1-CZ 3.93Å; D53-R56 IonicContact OD1-NE 3.66Å; D53-R56 IonicContact OD1-NH1 3.81Å; D53-V57 PolarHBondContact O-N 3.41Å; D53-Y66 HydrophobicContact CB-CE2 3.71Å; D53-Y66 WeakPolarHBondContact OD2-CE2 3.47Å; D53-Y66 PolarHBondContact OD2-OH 2.94Å
54E83Confident91.5Very high28 Ų2851.1 Ų51.113%0.13125%0.254CS..THydrogen-bonded Turntrans-55.8-28.6179.8-174.3179.1137.300113.3K49 F51 T52 R56 R273 I276K49-E54 WeakPolarHBondContact CD-OE2 3.04Å; K49-E54 WeakPolarHBondContact CE-OE2 3.27Å; K49-E54 VanDerWaalsContact NZ-CB 3.33Å; K49-E54 VanDerWaalsContact NZ-CD 3.27Å; K49-E54 IonicContact NZ-OE1 3.97Å; K49-E54 IonicContact NZ-OE2 3.66Å; K49-E54 PolarHBondContact NZ-OE2 3.41Å; F51-E54 HydrophobicContact CD1-CB 3.96Å; F51-E54 HydrophobicContact CE1-CB 4.4Å; T52-E54 VanDerWaalsContact C-N 3.33Å; T52-E54 PolarHBondContact O-N 3.34Å; E54-R56 VanDerWaalsContact C-N 3.3Å; E54-R273 VanDerWaalsContact CD-CZ 3.49Å; E54-R273 VanDerWaalsContact CG-CZ 3.47Å; E54-R273 IonicContact OE1-CZ 2.97Å; E54-R273 IonicContact OE1-NE 2.76Å; E54-R273 PolarHBondContact OE1-NE 2.91Å; E54-R273 VanDerWaalsContact OE1-NE 3.12Å; E54-R273 IonicContact OE1-NH1 3.53Å; E54-R273 PolarHBondContact OE1-NH1 3.38Å; E54-R273 IonicContact OE1-NH2 2.74Å; E54-R273 PolarHBondContact OE1-NH2 2.95Å; E54-I276 HydrophobicContact CB-CD1 4.42Å; E54-I276 HydrophobicContact CG-CD1 3.93Å
55S85.3Confident91.5Very high90 Ų9048.5 Ų48.563%0.62925%0.248SC*.THydrogen-bonded Turntrans-71.8-23.4175.156.20000113.4D53D53-S55 PolarHBondContact O-N 3.47Å; D53-S55 VanDerWaalsContact O-N 3.07Å
56R89.8Confident91.4Very high177 Ų17750.3 Ų50.367%0.66825%0.253SS*.THydrogen-bonded Turntrans-89.4-16176.9-63-178.9176.2172.3-2.2113D53 E54 D62D53-R56 HydrophobicContact CB-CB 4.43Å; D53-R56 WeakPolarHBondContact O-CA 3.21Å; D53-R56 WeakPolarHBondContact O-CB 3.41Å; D53-R56 PolarHBondContact O-N 3.26Å; D53-R56 IonicContact OD1-CZ 3.93Å; D53-R56 IonicContact OD1-NE 3.66Å; D53-R56 IonicContact OD1-NH1 3.81Å; E54-R56 VanDerWaalsContact C-N 3.3Å; R56-D62 VanDerWaalsContact O-CB 3.28Å; R56-D62 WeakPolarHBondContact O-CB 3.48Å
57V95.6Very high91.5Very high0 Ų049.4 Ų49.40%025%0.247CC..  trans-119.388.5-178.3-174.10000109.4F51 D53 D62 I63 Y66 T272 L313F51-V57 HydrophobicContact CE1-CB 4.25Å; F51-V57 HydrophobicContact CE1-CG2 4.19Å; F51-V57 HydrophobicContact CZ-CB 4.48Å; F51-V57 HydrophobicContact CZ-CG2 3.98Å; D53-V57 PolarHBondContact O-N 3.41Å; V57-D62 HydrophobicContact CB-CB 4.46Å; V57-D62 HydrophobicContact CG1-CB 4.37Å; V57-I63 HydrophobicContact CG1-CG1 3.6Å; V57-Y66 HydrophobicContact CG2-CD2 3.75Å; V57-Y66 HydrophobicContact CG2-CE2 4.47Å; V57-Y66 HydrophobicContact CG2-CG 3.98Å; V57-T272 HydrophobicContact CG1-CG2 4.41Å; V57-L313 HydrophobicContact CG1-CD1 4.04Å; V57-L313 HydrophobicContact CG2-CD1 4.24Å
58Q96.3Very high91.7Very high71 Ų7149.4 Ų49.433%0.33225%0.247SC..  trans-122.3-11-178.8-56.7-170.7-31.700112.7D62 P245 H268 K269 T272Q58-D62 PolarHBondContact N-OD2 3.43Å; Q58-P245 HydrophobicContact CB-CB 4.08Å; Q58-P245 HydrophobicContact CB-CG 3.64Å; Q58-H268 CarbonylContact O-C 3.34Å; Q58-K269 PolarHBondContact O-N 3.15Å; Q58-T272 PolarHBondContact O-OG1 2.89Å
59T97.8Very high92.3Very high4 Ų448 Ų483%0.02524%0.243CC..SBendtrans-132.4157.3179.473.50000112.1K61 D62 I63 P243 P245 H268 T272T59-K61 PolarHBondContact O-N 3.21Å; T59-K61 PolarHBondContact OG1-N 3.26Å; T59-D62 WeakPolarHBondContact CB-OD2 3.48Å; T59-D62 PolarHBondContact N-OD2 3.08Å; T59-D62 WeakPolarHBondContact O-CA 3.27Å; T59-D62 WeakPolarHBondContact O-CB 3.41Å; T59-D62 PolarHBondContact O-N 3.46Å; T59-D62 PolarHBondContact OG1-N 2.87Å; T59-D62 VanDerWaalsContact OG1-N 3.1Å; T59-D62 PolarHBondContact OG1-OD1 3.36Å; T59-D62 PolarHBondContact OG1-OD2 2.84Å; T59-I63 PolarHBondContact O-N 3.42Å; T59-P243 HydrophobicContact CG2-CB 4.39Å; T59-P243 HydrophobicContact CG2-CG 4.14Å; T59-P245 HydrophobicContact CG2-CG 4.42Å; T59-H268 WeakPolarHBondContact CB-ND1 3.47Å; T59-H268 HydrophobicContact CG2-CB 4.07Å; T59-T272 WeakPolarHBondContact O-CG2 3.39Å
60V98.2Very high92.6Very high0 Ų048.5 Ų48.50%025%0.249CC..Hα-helixtrans-59.9-27.6172.4175.50000112.5I63 F64 A138 Y249 H268 I271 L309V60-I63 PolarHBondContact O-N 3.38Å; V60-F64 PolarHBondContact O-N 3.16Å; V60-A138 HydrophobicContact CB-CB 3.91Å; V60-A138 HydrophobicContact CG1-CB 3.82Å; V60-Y249 HydrophobicContact CB-CD2 4.06Å; V60-Y249 HydrophobicContact CB-CE2 4Å; V60-Y249 HydrophobicContact CG1-CD2 4.39Å; V60-Y249 HydrophobicContact CG1-CE2 3.83Å; V60-Y249 HydrophobicContact CG2-CD1 3.91Å; V60-Y249 HydrophobicContact CG2-CD2 3.75Å; V60-Y249 HydrophobicContact CG2-CE1 3.95Å; V60-Y249 HydrophobicContact CG2-CE2 3.82Å; V60-Y249 HydrophobicContact CG2-CG 3.8Å; V60-H268 PolarHBondContact N-ND1 3Å; V60-I271 HydrophobicContact CG2-CG2 3.45Å; V60-I271 VanDerWaalsContact CG2-CG2 3.45Å; V60-L309 HydrophobicContact CG1-CD2 3.89Å; V60-L309 HydrophobicContact CG2-CD1 4.48Å
61K96.7Very high93.3Very high25 Ų2544.2 Ų44.211%0.10923%0.231CC..Hα-helixtrans-61.3-49.5168.2175.8-177.1169.5-74.20110.5T59 I63 F64 E65 A139 P243T59-K61 PolarHBondContact O-N 3.21Å; T59-K61 PolarHBondContact OG1-N 3.26Å; K61-I63 VanDerWaalsContact C-N 3.31Å; K61-I63 PolarHBondContact O-N 3.05Å; K61-F64 PolarHBondContact O-N 3.12Å; K61-F64 VanDerWaalsContact O-N 3.11Å; K61-E65 WeakPolarHBondContact CE-OE1 3.4Å; K61-E65 HydrophobicContact CG-CG 4.48Å; K61-E65 IonicContact NZ-OE1 3.98Å; K61-E65 PolarHBondContact NZ-OE1 3.09Å; K61-E65 IonicContact NZ-OE2 3.57Å; K61-E65 PolarHBondContact NZ-OE2 3.5Å; K61-E65 PolarHBondContact O-N 3.13Å; K61-A139 HydrophobicContact CB-CB 4.32Å; K61-A139 HydrophobicContact CD-CB 4.09Å; K61-A139 HydrophobicContact CG-CB 4.06Å; K61-P243 HydrophobicContact CB-CG 4.17Å; K61-P243 HydrophobicContact CD-CG 4.38Å
62D97.3Very high93.9Very high30 Ų3051.1 Ų51.116%0.1626%0.256CS..Hα-helixtrans-63.2-35.9178.8-52-30000112.6R56 V57 Q58 T59 F64 E65 Y66R56-D62 VanDerWaalsContact O-CB 3.28Å; R56-D62 WeakPolarHBondContact O-CB 3.48Å; V57-D62 HydrophobicContact CB-CB 4.46Å; V57-D62 HydrophobicContact CG1-CB 4.37Å; Q58-D62 PolarHBondContact N-OD2 3.43Å; T59-D62 WeakPolarHBondContact CB-OD2 3.48Å; T59-D62 PolarHBondContact N-OD2 3.08Å; T59-D62 WeakPolarHBondContact O-CA 3.27Å; T59-D62 WeakPolarHBondContact O-CB 3.41Å; T59-D62 PolarHBondContact O-N 3.46Å; T59-D62 PolarHBondContact OG1-N 2.87Å; T59-D62 VanDerWaalsContact OG1-N 3.1Å; T59-D62 PolarHBondContact OG1-OD1 3.36Å; T59-D62 PolarHBondContact OG1-OD2 2.84Å; D62-F64 VanDerWaalsContact C-N 3.29Å; D62-F64 PolarHBondContact O-N 2.78Å; D62-E65 PolarHBondContact O-N 3.38Å; D62-Y66 WeakPolarHBondContact O-CB 3.4Å; D62-Y66 PolarHBondContact O-N 2.9Å
63I97.7Very high94.6Very high0 Ų050.2 Ų50.20%026%0.255CS..Hα-helixtrans-55-48.5172.8-77.9-177.2000110.2V57 T59 V60 K61 G67 T272 A275 L309 I312 L313V57-I63 HydrophobicContact CG1-CG1 3.6Å; T59-I63 PolarHBondContact O-N 3.42Å; V60-I63 PolarHBondContact O-N 3.38Å; K61-I63 VanDerWaalsContact C-N 3.31Å; K61-I63 PolarHBondContact O-N 3.05Å; I63-G67 PolarHBondContact O-N 3.48Å; I63-G67 VanDerWaalsContact O-N 3.11Å; I63-T272 HydrophobicContact CD1-CG2 3.66Å; I63-T272 HydrophobicContact CG1-CG2 3.83Å; I63-A275 HydrophobicContact CD1-CB 4.17Å; I63-L309 HydrophobicContact CD1-CB 4.35Å; I63-L309 HydrophobicContact CG2-CD2 4.27Å; I63-I312 HydrophobicContact CG2-CB 4.27Å; I63-I312 HydrophobicContact CG2-CG2 3.88Å; I63-L313 HydrophobicContact CG1-CD1 4.36Å; I63-L313 HydrophobicContact CG2-CB 4.05Å
64F98.1Very high95.2Very high6 Ų651.8 Ų51.83%0.02626%0.263CS..Hα-helixtrans-67.6-45-179.6-177.3-94.7000111.6V60 K61 D62 Y66 G67 L68 Y92 V95 D96 I99 I312V60-F64 PolarHBondContact O-N 3.16Å; K61-F64 PolarHBondContact O-N 3.12Å; K61-F64 VanDerWaalsContact O-N 3.11Å; D62-F64 VanDerWaalsContact C-N 3.29Å; D62-F64 PolarHBondContact O-N 2.78Å; F64-Y66 VanDerWaalsContact C-N 3.33Å; F64-Y66 PolarHBondContact O-N 2.59Å; F64-G67 PolarHBondContact O-N 3.33Å; F64-L68 HydrophobicContact CE1-CB 4.42Å; F64-L68 HydrophobicContact CE1-CD2 4.32Å; F64-L68 VanDerWaalsContact O-CB 3.24Å; F64-L68 WeakPolarHBondContact O-CB 3.36Å; F64-L68 PolarHBondContact O-N 3.21Å; F64-Y92 HydrophobicContact CE2-CD1 4.05Å; F64-Y92 HydrophobicContact CE2-CE1 4.31Å; F64-Y92 HydrophobicContact CZ-CD1 4.27Å; F64-V95 HydrophobicContact CE2-CB 4.25Å; F64-V95 HydrophobicContact CE2-CG1 3.6Å; F64-V95 HydrophobicContact CZ-CB 4.04Å; F64-V95 HydrophobicContact CZ-CG1 3.71Å; F64-D96 HydrophobicContact CE1-CB 3.68Å; F64-D96 HydrophobicContact CZ-CB 4Å; F64-I99 HydrophobicContact CD1-CD1 3.88Å; F64-I99 HydrophobicContact CD2-CD1 3.96Å; F64-I99 HydrophobicContact CE1-CD1 3.59Å; F64-I99 HydrophobicContact CE2-CD1 3.69Å; F64-I99 HydrophobicContact CG-CD1 4.06Å; F64-I99 HydrophobicContact CZ-CD1 3.5Å; F64-I312 HydrophobicContact CB-CG2 4.27Å; F64-I312 HydrophobicContact CD2-CG2 3.9Å
65E96.4Very high96Very high78 Ų7857.4 Ų57.436%0.36428%0.283SS..Hα-helixtrans-63.7-37.3178.7-72178.1158.400112.4K61 D62 L68 S69K61-E65 WeakPolarHBondContact CE-OE1 3.4Å; K61-E65 HydrophobicContact CG-CG 4.48Å; K61-E65 IonicContact NZ-OE1 3.98Å; K61-E65 PolarHBondContact NZ-OE1 3.09Å; K61-E65 IonicContact NZ-OE2 3.57Å; K61-E65 PolarHBondContact NZ-OE2 3.5Å; K61-E65 PolarHBondContact O-N 3.13Å; D62-E65 PolarHBondContact O-N 3.38Å; E65-L68 PolarHBondContact O-N 3.49Å; E65-S69 WeakPolarHBondContact O-CB 3.44Å; E65-S69 PolarHBondContact O-N 3.07Å
66Y96.5Very high96.6Very high50 Ų5053.1 Ų53.120%0.19625%0.253CS..Hα-helixtrans-63.7-48.3174.2-169-86.4000111F51 D53 V57 D62 F64 L68 S69 N70 L313F51-Y66 HydrophobicContact CE2-CE1 4.26Å; F51-Y66 AromaticContact CE2-CZ 3.97Å; F51-Y66 HydrophobicContact CZ-CE1 4.47Å; F51-Y66 HydrophobicContact CZ-CE2 4.27Å; D53-Y66 HydrophobicContact CB-CE2 3.71Å; D53-Y66 WeakPolarHBondContact OD2-CE2 3.47Å; D53-Y66 PolarHBondContact OD2-OH 2.94Å; V57-Y66 HydrophobicContact CG2-CD2 3.75Å; V57-Y66 HydrophobicContact CG2-CE2 4.47Å; V57-Y66 HydrophobicContact CG2-CG 3.98Å; D62-Y66 WeakPolarHBondContact O-CB 3.4Å; D62-Y66 PolarHBondContact O-N 2.9Å; F64-Y66 VanDerWaalsContact C-N 3.33Å; F64-Y66 PolarHBondContact O-N 2.59Å; Y66-L68 PolarHBondContact O-N 3.19Å; Y66-S69 PolarHBondContact O-N 3.38Å; Y66-S69 PolarHBondContact O-OG 3.15Å; Y66-N70 WeakPolarHBondContact CD1-ND2 3.2Å; Y66-N70 VanDerWaalsContact CE1-ND2 3.26Å; Y66-N70 WeakPolarHBondContact CE1-ND2 3.48Å; Y66-N70 PolarHBondContact O-N 2.87Å; Y66-N70 PolarHBondContact O-ND2 2.89Å; Y66-L313 HydrophobicContact CD1-CD1 3.72Å; Y66-L313 VanDerWaalsContact CD1-O 3.3Å; Y66-L313 WeakPolarHBondContact CD1-O 3.08Å; Y66-L313 HydrophobicContact CE1-CD1 4.41Å; Y66-L313 HydrophobicContact CG-CD1 4.06Å
67G96.8Very high97Very high0 Ų044.8 Ų44.80%022%0.222CC..Hα-helixtrans-58.9-46.5174.200000112.8I63 F64 S69 N70 S71 I312I63-G67 PolarHBondContact O-N 3.48Å; I63-G67 VanDerWaalsContact O-N 3.11Å; F64-G67 PolarHBondContact O-N 3.33Å; G67-S69 PolarHBondContact O-N 2.83Å; G67-N70 PolarHBondContact O-N 2.69Å; G67-S71 WeakPolarHBondContact O-CB 3.43Å; G67-S71 PolarHBondContact O-N 3.37Å; G67-I312 VanDerWaalsContact CA-O 3.24Å; G67-I312 WeakPolarHBondContact CA-O 3.36Å
68L97.4Very high97.2Very high22 Ų2244.8 Ų44.812%0.11522%0.222CC..Hα-helixtrans-57.4-45.6176.317368.6000111.7F64 E65 Y66 N70 S71 R72 Y92 D96F64-L68 HydrophobicContact CE1-CB 4.42Å; F64-L68 HydrophobicContact CE1-CD2 4.32Å; F64-L68 VanDerWaalsContact O-CB 3.24Å; F64-L68 WeakPolarHBondContact O-CB 3.36Å; F64-L68 PolarHBondContact O-N 3.21Å; E65-L68 PolarHBondContact O-N 3.49Å; Y66-L68 PolarHBondContact O-N 3.19Å; L68-N70 PolarHBondContact O-N 3.4Å; L68-S71 PolarHBondContact O-N 3.37Å; L68-R72 HydrophobicContact CD1-CB 4.41Å; L68-R72 HydrophobicContact CD1-CG 4.05Å; L68-R72 WeakPolarHBondContact O-CA 3.46Å; L68-R72 WeakPolarHBondContact O-CB 3.48Å; L68-R72 PolarHBondContact O-N 3.34Å; L68-Y92 HydrophobicContact CB-CD1 4.19Å; L68-D96 HydrophobicContact CD1-CB 4.18Å; L68-D96 HydrophobicContact CD2-CB 4.05Å; L68-D96 VanDerWaalsContact CD2-OD2 3.27Å; L68-D96 WeakPolarHBondContact CD2-OD2 3.42Å
69S96.4Very high97.2Very high87 Ų8746.1 Ų46.161%0.60823%0.227SC*.Hα-helixtrans-60.5-33.4-179.277.10000112.5E65 Y66 G67E65-S69 WeakPolarHBondContact O-CB 3.44Å; E65-S69 PolarHBondContact O-N 3.07Å; Y66-S69 PolarHBondContact O-N 3.38Å; Y66-S69 PolarHBondContact O-OG 3.15Å; G67-S69 PolarHBondContact O-N 2.83Å
70N92.1Very high97.1Very high90 Ų9046.6 Ų46.648%0.48123%0.228SC..Hα-helixtrans-90-14.7-178.5-69.8-48.3000113.7Y66 G67 L68Y66-N70 WeakPolarHBondContact CD1-ND2 3.2Å; Y66-N70 VanDerWaalsContact CE1-ND2 3.26Å; Y66-N70 WeakPolarHBondContact CE1-ND2 3.48Å; Y66-N70 PolarHBondContact O-N 2.87Å; Y66-N70 PolarHBondContact O-ND2 2.89Å; G67-N70 PolarHBondContact O-N 2.69Å; L68-N70 PolarHBondContact O-N 3.4Å
71S96.7Very high96.8Very high2 Ų251.5 Ų51.51%0.01426%0.26CS..Hα-helixtrans-150.230.6-164.6-78.10000113.8G67 L68 S73 N74 Y92 G315G67-S71 WeakPolarHBondContact O-CB 3.43Å; G67-S71 PolarHBondContact O-N 3.37Å; L68-S71 PolarHBondContact O-N 3.37Å; S71-S73 VanDerWaalsContact C-N 3.34Å; S71-S73 PolarHBondContact O-N 2.73Å; S71-S73 VanDerWaalsContact O-N 3.15Å; S71-N74 WeakPolarHBondContact CB-ND2 3.23Å; S71-N74 WeakPolarHBondContact O-CB 3.4Å; S71-N74 PolarHBondContact O-N 2.98Å; S71-N74 PolarHBondContact OG-ND2 2.83Å; S71-Y92 WeakPolarHBondContact O-CB 3.37Å; S71-Y92 WeakPolarHBondContact O-CD2 3.33Å; S71-G315 WeakPolarHBondContact CB-O 3.13Å; S71-G315 PolarHBondContact OG-O 2.86Å; S71-G315 VanDerWaalsContact OG-O 3.14Å
72R96.5Very high96.7Very high158 Ų15852.1 Ų52.160%0.59627%0.268SS*.THydrogen-bonded Turntrans-48.6-46.2-172.2-169.7173.8-176.6-137-2115.2L68 N93L68-R72 HydrophobicContact CD1-CB 4.41Å; L68-R72 HydrophobicContact CD1-CG 4.05Å; L68-R72 WeakPolarHBondContact O-CA 3.46Å; L68-R72 WeakPolarHBondContact O-CB 3.48Å; L68-R72 PolarHBondContact O-N 3.34Å; R72-N93 HydrophobicContact CG-CB 3.96Å; R72-N93 VanDerWaalsContact CZ-OD1 3.27Å; R72-N93 PolarHBondContact NE-OD1 3.29Å; R72-N93 PolarHBondContact NH2-OD1 2.88Å; R72-N93 PolarHBondContact O-N 2.8Å
73S97.7Very high96.5Very high101 Ų10151.9 Ų51.971%0.70627%0.265SS*.THydrogen-bonded Turntrans-94.6-0.5178.953.10000113.8S71S71-S73 VanDerWaalsContact C-N 3.34Å; S71-S73 PolarHBondContact O-N 2.73Å; S71-S73 VanDerWaalsContact O-N 3.15Å
74N97.8Very high96.3Very high68 Ų6859.3 Ų59.336%0.36431%0.305SS..SBendtrans-81.2160.7178.3-65-18.4000110.8S71 C76 T91 Y92S71-N74 WeakPolarHBondContact CB-ND2 3.23Å; S71-N74 WeakPolarHBondContact O-CB 3.4Å; S71-N74 PolarHBondContact O-N 2.98Å; S71-N74 PolarHBondContact OG-ND2 2.83Å; N74-C76 PolarHBondContact O-N 2.86Å; N74-T91 CarbonylContact O-C 3.49Å; N74-T91 WeakPolarHBondContact O-CA 3.26Å; N74-Y92 PolarHBondContact O-N 2.94Å; N74-Y92 VanDerWaalsContact O-N 3.07Å
75R98.3Very high96.2Very high146 Ų14662.2 Ų62.255%0.55132%0.321SS*.EExtended strand (participates in β ladder)trans-61.5129.4174.8-66.4173.4-178.7-177.90.1110.4W89 S317R75-W89 HydrophobicContact CB-CB 4.32Å; R75-W89 HydrophobicContact CB-CD2 3.91Å; R75-W89 HydrophobicContact CB-CE3 3.71Å; R75-W89 HydrophobicContact CB-CG 4.19Å; R75-W89 HydrophobicContact CB-CZ3 4.35Å; R75-W89 HydrophobicContact CG-CB 3.89Å; R75-W89 HydrophobicContact CG-CD2 3.93Å; R75-W89 HydrophobicContact CG-CE3 4.26Å; R75-W89 HydrophobicContact CG-CG 3.76Å; R75-S317 VanDerWaalsContact CB-OG 3.3Å; R75-S317 WeakPolarHBondContact CB-OG 3.42Å; R75-S317 WeakPolarHBondContact O-CB 3.34Å; R75-S317 PolarHBondContact O-OG 3.13Å
76C98.7Very high96.1Very high1 Ų163.1 Ų63.11%0.00733%0.333CS..EExtended strand (participates in β ladder)trans-110-68.1176.7-1720000110.6N74 L90 Y92 V95 S317 S318N74-C76 PolarHBondContact O-N 2.86Å; C76-L90 WeakPolarHBondContact CA-O 3.48Å; C76-L90 WeakPolarHBondContact CB-O 3.43Å; C76-L90 PolarHBondContact N-O 3.49Å; C76-Y92 HydrophobicContact CB-CD1 4.34Å; C76-Y92 HydrophobicContact CB-CD2 3.49Å; C76-Y92 VanDerWaalsContact CB-CD2 3.49Å; C76-Y92 HydrophobicContact CB-CE2 3.75Å; C76-Y92 HydrophobicContact CB-CG 3.81Å; C76-V95 HydrophobicContact CB-CG2 3.91Å; C76-S317 CarbonylContact O-C 3.31Å; C76-S317 WeakPolarHBondContact O-CA 3.36Å; C76-S318 PolarHBondContact O-N 3.39Å
77L98.8Very high96.1Very high2 Ų261.8 Ų61.81%0.0133%0.328CS..EExtended strand (participates in β ladder)trans-120.4126.2-174.1-58.4179.6000110.6L90 V95 P128 V131 I132 S318 F320L77-L90 PolarHBondContact N-O 3.02Å; L77-L90 PolarHBondContact O-N 3.12Å; L77-V95 HydrophobicContact CB-CG2 4.32Å; L77-V95 HydrophobicContact CD1-CG1 4Å; L77-V95 HydrophobicContact CD1-CG2 3.86Å; L77-V95 HydrophobicContact CG-CG2 3.96Å; L77-P128 HydrophobicContact CB-CB 4.15Å; L77-P128 HydrophobicContact CB-CG 4.45Å; L77-P128 HydrophobicContact CD1-CB 4.22Å; L77-V131 HydrophobicContact CD1-CB 3.96Å; L77-V131 HydrophobicContact CD1-CG1 3.94Å; L77-V131 HydrophobicContact CD2-CB 4.42Å; L77-V131 HydrophobicContact CD2-CG1 4.07Å; L77-I132 HydrophobicContact CD1-CG1 4.22Å; L77-S318 CarbonylContact C-O 3.52Å; L77-S318 WeakPolarHBondContact CA-O 3.22Å; L77-F320 HydrophobicContact CB-CE2 4.12Å; L77-F320 HydrophobicContact CD2-CE2 3.94Å; L77-F320 HydrophobicContact CD2-CZ 4.09Å
78G98.5Very high96.2Very high0 Ų065.5 Ų65.50%035%0.354CS..EExtended strand (participates in β ladder)trans-123.2132.2-175.500000113.3Y87 S88 S318 G319 F320G78-Y87 WeakPolarHBondContact O-CD1 3.14Å; G78-Y87 WeakPolarHBondContact O-CE1 3.49Å; G78-S88 CarbonylContact C-O 3.55Å; G78-S88 VanDerWaalsContact CA-O 3.27Å; G78-S88 WeakPolarHBondContact CA-O 3.4Å; G78-S318 PolarHBondContact N-O 3.12Å; G78-G319 CarbonylContact O-C 3.49Å; G78-G319 VanDerWaalsContact O-CA 3.31Å; G78-G319 WeakPolarHBondContact O-CA 3.15Å; G78-F320 WeakPolarHBondContact O-CD2 3.32Å; G78-F320 PolarHBondContact O-N 3.41Å
79K97.2Very high96.2Very high98 Ų9866.5 Ų66.543%0.42636%0.356SS..EExtended strand (participates in β ladder)trans-131.5159171.466.8174.8176.9-175.30112S88 P128 E129K79-S88 PolarHBondContact N-O 3.34Å; K79-S88 PolarHBondContact O-N 3.21Å; K79-P128 HydrophobicContact CB-CG 4.05Å; K79-P128 HydrophobicContact CD-CG 4.01Å; K79-P128 HydrophobicContact CG-CG 4.15Å; K79-E129 IonicContact NZ-OE1 3.32Å; K79-E129 PolarHBondContact NZ-OE1 2.96Å
80R94.6Very high96.3Very high14 Ų1463.8 Ų63.85%0.05334%0.335CS..  trans-112.9129.8176.7-63.3175.267.6-169.48.3109.1S82 F83 D85 Y87 T322 D331R80-S82 VanDerWaalsContact C-N 3.33Å; R80-F83 PolarHBondContact NH2-O 3.12Å; R80-D85 PolarHBondContact NE-O 3.45Å; R80-D85 PolarHBondContact NH2-O 3.2Å; R80-Y87 HydrophobicContact CG-CD1 3.77Å; R80-Y87 HydrophobicContact CG-CD2 3.65Å; R80-Y87 HydrophobicContact CG-CE1 3.87Å; R80-Y87 HydrophobicContact CG-CE2 3.77Å; R80-Y87 HydrophobicContact CG-CG 3.64Å; R80-T322 HydrophobicContact CB-CG2 4.2Å; R80-T322 WeakPolarHBondContact CB-OG1 3.45Å; R80-T322 WeakPolarHBondContact CD-OG1 3.41Å; R80-D331 IonicContact CZ-OD1 3.24Å; R80-D331 IonicContact NH1-OD1 2.74Å; R80-D331 PolarHBondContact NH1-OD1 3.08Å
81P92.2Very high96.7Very high104 Ų10461.2 Ų61.268%0.67532%0.323SS*.SBendtrans-64.8-36.9173-23.433.9000113D85P81-D85 HydrophobicContact CG-CB 4.46Å
82S94.6Very high96.7Very high38 Ų3861.1 Ų61.127%0.26632%0.322SS..SBendtrans-150.2168.9175.481.90000111.7R80 N84 D85R80-S82 VanDerWaalsContact C-N 3.33Å; S82-N84 PolarHBondContact O-N 3.01Å; S82-N84 VanDerWaalsContact O-N 3.12Å; S82-N84 PolarHBondContact OG-N 3Å; S82-D85 VanDerWaalsContact CB-OD2 3.31Å; S82-D85 WeakPolarHBondContact CB-OD2 3.23Å; S82-D85 PolarHBondContact N-OD2 2.92Å; S82-D85 PolarHBondContact O-N 3.49Å; S82-D85 PolarHBondContact OG-OD2 3.41Å
83F93.4Very high96.8Very high24 Ų2455 Ų5511%0.10530%0.301CS..THydrogen-bonded Turntrans-65.9-10175.9-72.9-75.3000114.5R80 T322 E323 R327 D330R80-F83 PolarHBondContact NH2-O 3.12Å; F83-T322 HydrophobicContact CD1-CG2 4.32Å; F83-T322 HydrophobicContact CD2-CG2 4.04Å; F83-T322 HydrophobicContact CE1-CG2 4.32Å; F83-T322 HydrophobicContact CE2-CG2 4.07Å; F83-T322 HydrophobicContact CG-CG2 4.18Å; F83-T322 HydrophobicContact CZ-CG2 4.19Å; F83-E323 HydrophobicContact CE2-CB 3.97Å; F83-E323 HydrophobicContact CE2-CG 3.81Å; F83-E323 HydrophobicContact CZ-CB 4.11Å; F83-E323 HydrophobicContact CZ-CG 4.38Å; F83-R327 HydrophobicContact CE1-CB 3.59Å; F83-R327 HydrophobicContact CE1-CG 4.48Å; F83-R327 HydrophobicContact CE2-CB 4.29Å; F83-R327 HydrophobicContact CE2-CG 4.45Å; F83-R327 VanDerWaalsContact CG-CZ 3.43Å; F83-R327 VanDerWaalsContact CG-NH1 3.29Å; F83-R327 HydrophobicContact CZ-CB 3.45Å; F83-R327 VanDerWaalsContact CZ-CB 3.45Å; F83-R327 HydrophobicContact CZ-CG 4.07Å; F83-D330 HydrophobicContact CD1-CB 4.11Å; F83-D330 HydrophobicContact CE1-CB 4.26Å
84N93.7Very high96.9Very high157 Ų15753.4 Ų53.484%0.8428%0.282SS*.THydrogen-bonded Turntrans-94.9-13.1174.8-64.3-32.8000112.5S82S82-N84 PolarHBondContact O-N 3.01Å; S82-N84 VanDerWaalsContact O-N 3.12Å; S82-N84 PolarHBondContact OG-N 3Å
85D95.3Very high96.9Very high66 Ų6650.1 Ų50.135%0.35327%0.265SS..SBendtrans-94.4151.4-177.3-63.7-58.1000112.1R80 P81 S82R80-D85 PolarHBondContact NE-O 3.45Å; R80-D85 PolarHBondContact NH2-O 3.2Å; P81-D85 HydrophobicContact CG-CB 4.46Å; S82-D85 VanDerWaalsContact CB-OD2 3.31Å; S82-D85 WeakPolarHBondContact CB-OD2 3.23Å; S82-D85 PolarHBondContact N-OD2 2.92Å; S82-D85 PolarHBondContact O-N 3.49Å; S82-D85 PolarHBondContact OG-OD2 3.41Å
86P95.4Very high96.9Very high98 Ų9843.8 Ų43.864%0.63624%0.242SC*.PPolyproline II helixtrans-69.7164.4167.631.9-35.3000111.1S88P86-S88 PolarHBondContact O-N 3.18Å
87Y97.1Very high96.7Very high21 Ų2148 Ų488%0.08226%0.261CS..PPolyproline II helixtrans-62.6123167.9-85.4-89.8000110.5G78 R80 W89 F320 I334 L335G78-Y87 WeakPolarHBondContact O-CD1 3.14Å; G78-Y87 WeakPolarHBondContact O-CE1 3.49Å; R80-Y87 HydrophobicContact CG-CD1 3.77Å; R80-Y87 HydrophobicContact CG-CD2 3.65Å; R80-Y87 HydrophobicContact CG-CE1 3.87Å; R80-Y87 HydrophobicContact CG-CE2 3.77Å; R80-Y87 HydrophobicContact CG-CG 3.64Å; Y87-W89 VanDerWaalsContact CB-NE1 3.3Å; Y87-W89 HydrophobicContact CD1-CZ2 4.32Å; Y87-W89 HydrophobicContact CG-CZ2 4.19Å; Y87-W89 VanDerWaalsContact O-CD1 3.23Å; Y87-F320 WeakPolarHBondContact CE1-O 3.45Å; Y87-F320 PolarHBondContact OH-O 3.26Å; Y87-I334 HydrophobicContact CD2-CG2 4.06Å; Y87-I334 HydrophobicContact CE2-CG2 4.29Å; Y87-L335 HydrophobicContact CD1-CD1 4.28Å; Y87-L335 HydrophobicContact CD2-CB 4.26Å; Y87-L335 HydrophobicContact CD2-CD1 3.94Å; Y87-L335 HydrophobicContact CE1-CD1 4.13Å; Y87-L335 HydrophobicContact CE2-CB 3.51Å; Y87-L335 HydrophobicContact CE2-CD1 3.75Å; Y87-L335 HydrophobicContact CE2-CG 4.11Å; Y87-L335 HydrophobicContact CG-CD1 4.21Å
88S97.8Very high96.7Very high78 Ų7851 Ų5155%0.54527%0.272SS..EExtended strand (participates in β ladder)trans-86.3132.3162.7-175.70000108.8G78 K79 P86G78-S88 CarbonylContact C-O 3.55Å; G78-S88 VanDerWaalsContact CA-O 3.27Å; G78-S88 WeakPolarHBondContact CA-O 3.4Å; K79-S88 PolarHBondContact N-O 3.34Å; K79-S88 PolarHBondContact O-N 3.21Å; P86-S88 PolarHBondContact O-N 3.18Å
89W98.4Very high96.6Very high43 Ų4351.3 Ų51.316%0.16327%0.274CS..EExtended strand (participates in β ladder)trans-118.2134-170.7-68.691000111.3R75 Y87 S318 L335R75-W89 HydrophobicContact CB-CB 4.32Å; R75-W89 HydrophobicContact CB-CD2 3.91Å; R75-W89 HydrophobicContact CB-CE3 3.71Å; R75-W89 HydrophobicContact CB-CG 4.19Å; R75-W89 HydrophobicContact CB-CZ3 4.35Å; R75-W89 HydrophobicContact CG-CB 3.89Å; R75-W89 HydrophobicContact CG-CD2 3.93Å; R75-W89 HydrophobicContact CG-CE3 4.26Å; R75-W89 HydrophobicContact CG-CG 3.76Å; Y87-W89 VanDerWaalsContact CB-NE1 3.3Å; Y87-W89 HydrophobicContact CD1-CZ2 4.32Å; Y87-W89 HydrophobicContact CG-CZ2 4.19Å; Y87-W89 VanDerWaalsContact O-CD1 3.23Å; W89-S318 WeakPolarHBondContact CZ3-O 3.42Å; W89-L335 HydrophobicContact CH2-CD1 3.66Å; W89-L335 HydrophobicContact CZ2-CD1 3.56Å
90L98.6Very high96.5Very high31 Ų3150.1 Ų50.116%0.16227%0.267CS..EExtended strand (participates in β ladder)trans-86.4133.4159.5-58.4179.4000108.8C76 L77 E94 V95 I132C76-L90 WeakPolarHBondContact CA-O 3.48Å; C76-L90 WeakPolarHBondContact CB-O 3.43Å; C76-L90 PolarHBondContact N-O 3.49Å; L77-L90 PolarHBondContact N-O 3.02Å; L77-L90 PolarHBondContact O-N 3.12Å; L90-E94 HydrophobicContact CB-CB 4.41Å; L90-V95 HydrophobicContact CB-CG2 3.66Å; L90-V95 HydrophobicContact CD1-CG2 4.17Å; L90-I132 HydrophobicContact CD1-CD1 4.16Å
91T98.7Very high96.5Very high36 Ų3649.4 Ų49.422%0.22127%0.265CS..EExtended strand (participates in β ladder)trans-73162.4168.960.50000111.3N74 N93 E94 V95N74-T91 CarbonylContact O-C 3.49Å; N74-T91 WeakPolarHBondContact O-CA 3.26Å; T91-N93 VanDerWaalsContact C-N 3.27Å; T91-N93 PolarHBondContact O-N 2.96Å; T91-E94 WeakPolarHBondContact CB-OE2 3.33Å; T91-E94 WeakPolarHBondContact CG2-OE2 3.41Å; T91-E94 PolarHBondContact N-OE2 3.26Å; T91-E94 WeakPolarHBondContact O-CB 3.49Å; T91-E94 PolarHBondContact O-N 2.98Å; T91-E94 WeakPolarHBondContact OG1-CB 3.38Å; T91-E94 VanDerWaalsContact OG1-CG 3.3Å; T91-E94 WeakPolarHBondContact OG1-CG 3.34Å; T91-E94 PolarHBondContact OG1-N 3.12Å; T91-E94 PolarHBondContact OG1-OE2 3.08Å; T91-V95 WeakPolarHBondContact O-CG2 3.42Å; T91-V95 PolarHBondContact O-N 2.9Å
92Y98.6Very high96.7Very high0 Ų044.5 Ų44.50%023%0.232CC..Hα-helixtrans-56.4-40.9174.5-91.5-93.7000112.5F64 L68 S71 N74 C76 E94 V95 D96 I312 G315 A316F64-Y92 HydrophobicContact CE2-CD1 4.05Å; F64-Y92 HydrophobicContact CE2-CE1 4.31Å; F64-Y92 HydrophobicContact CZ-CD1 4.27Å; L68-Y92 HydrophobicContact CB-CD1 4.19Å; S71-Y92 WeakPolarHBondContact O-CB 3.37Å; S71-Y92 WeakPolarHBondContact O-CD2 3.33Å; N74-Y92 PolarHBondContact O-N 2.94Å; N74-Y92 VanDerWaalsContact O-N 3.07Å; C76-Y92 HydrophobicContact CB-CD1 4.34Å; C76-Y92 HydrophobicContact CB-CD2 3.49Å; C76-Y92 VanDerWaalsContact CB-CD2 3.49Å; C76-Y92 HydrophobicContact CB-CE2 3.75Å; C76-Y92 HydrophobicContact CB-CG 3.81Å; Y92-E94 VanDerWaalsContact C-N 3.35Å; Y92-E94 PolarHBondContact O-N 2.96Å; Y92-V95 PolarHBondContact O-N 3.34Å; Y92-D96 VanDerWaalsContact O-CB 3.31Å; Y92-D96 WeakPolarHBondContact O-CB 3.4Å; Y92-D96 PolarHBondContact O-N 3.28Å; Y92-I312 HydrophobicContact CE1-CG2 4.35Å; Y92-I312 WeakPolarHBondContact OH-CA 3.17Å; Y92-I312 PolarHBondContact OH-O 2.95Å; Y92-I312 VanDerWaalsContact OH-O 3.04Å; Y92-G315 WeakPolarHBondContact OH-CA 3.41Å; Y92-A316 PolarHBondContact OH-N 3.32Å; Y92-A316 PolarHBondContact OH-O 3.01Å; Y92-A316 VanDerWaalsContact OH-O 3.06Å
93N98.3Very high96.7Very high29 Ų2942.7 Ų42.716%0.15522%0.22CC..Hα-helixtrans-61.6-42.2176.5-172.279.6000112.6R72 T91 D96 E97R72-N93 HydrophobicContact CG-CB 3.96Å; R72-N93 VanDerWaalsContact CZ-OD1 3.27Å; R72-N93 PolarHBondContact NE-OD1 3.29Å; R72-N93 PolarHBondContact NH2-OD1 2.88Å; R72-N93 PolarHBondContact O-N 2.8Å; T91-N93 VanDerWaalsContact C-N 3.27Å; T91-N93 PolarHBondContact O-N 2.96Å; N93-D96 WeakPolarHBondContact O-CB 3.35Å; N93-D96 PolarHBondContact O-N 3.24Å; N93-E97 PolarHBondContact ND2-OE1 2.96Å; N93-E97 WeakPolarHBondContact O-CG 3.3Å; N93-E97 PolarHBondContact O-N 3.42Å
94E98.4Very high96.7Very high67 Ų6741.5 Ų41.531%0.31322%0.215SC..Hα-helixtrans-67.7-34.7177.4-81173.4126.900112.8L90 T91 Y92 R98L90-E94 HydrophobicContact CB-CB 4.41Å; T91-E94 WeakPolarHBondContact CB-OE2 3.33Å; T91-E94 WeakPolarHBondContact CG2-OE2 3.41Å; T91-E94 PolarHBondContact N-OE2 3.26Å; T91-E94 WeakPolarHBondContact O-CB 3.49Å; T91-E94 PolarHBondContact O-N 2.98Å; T91-E94 WeakPolarHBondContact OG1-CB 3.38Å; T91-E94 VanDerWaalsContact OG1-CG 3.3Å; T91-E94 WeakPolarHBondContact OG1-CG 3.34Å; T91-E94 PolarHBondContact OG1-N 3.12Å; T91-E94 PolarHBondContact OG1-OE2 3.08Å; Y92-E94 VanDerWaalsContact C-N 3.35Å; Y92-E94 PolarHBondContact O-N 2.96Å; E94-R98 WeakPolarHBondContact O-CG 3.44Å; E94-R98 PolarHBondContact O-N 3.44Å; E94-R98 PolarHBondContact O-NH1 3.14Å
95V98.6Very high96.7Very high0 Ų034 Ų340%018%0.175CC..Hα-helixtrans-69.3-42.1173.8175.60000110.3F64 C76 L77 L90 T91 Y92 E97 R98 I99 I132F64-V95 HydrophobicContact CE2-CB 4.25Å; F64-V95 HydrophobicContact CE2-CG1 3.6Å; F64-V95 HydrophobicContact CZ-CB 4.04Å; F64-V95 HydrophobicContact CZ-CG1 3.71Å; C76-V95 HydrophobicContact CB-CG2 3.91Å; L77-V95 HydrophobicContact CB-CG2 4.32Å; L77-V95 HydrophobicContact CD1-CG1 4Å; L77-V95 HydrophobicContact CD1-CG2 3.86Å; L77-V95 HydrophobicContact CG-CG2 3.96Å; L90-V95 HydrophobicContact CB-CG2 3.66Å; L90-V95 HydrophobicContact CD1-CG2 4.17Å; T91-V95 WeakPolarHBondContact O-CG2 3.42Å; T91-V95 PolarHBondContact O-N 2.9Å; Y92-V95 PolarHBondContact O-N 3.34Å; V95-E97 PolarHBondContact O-N 3.18Å; V95-R98 PolarHBondContact O-N 3.33Å; V95-R98 VanDerWaalsContact O-N 3.15Å; V95-I99 HydrophobicContact CG1-CD1 3.78Å; V95-I99 HydrophobicContact CG1-CG1 4.34Å; V95-I99 WeakPolarHBondContact O-CG1 3.22Å; V95-I99 PolarHBondContact O-N 2.86Å; V95-I132 HydrophobicContact CG1-CG1 4.17Å
96D97.3Very high96.7Very high12 Ų1230.9 Ų30.96%0.06416%0.158CC..Hα-helixtrans-60.3-43.6176.7-175.931.6000112.5F64 L68 Y92 N93 R98 I99 R100F64-D96 HydrophobicContact CE1-CB 3.68Å; F64-D96 HydrophobicContact CZ-CB 4Å; L68-D96 HydrophobicContact CD1-CB 4.18Å; L68-D96 HydrophobicContact CD2-CB 4.05Å; L68-D96 VanDerWaalsContact CD2-OD2 3.27Å; L68-D96 WeakPolarHBondContact CD2-OD2 3.42Å; Y92-D96 VanDerWaalsContact O-CB 3.31Å; Y92-D96 WeakPolarHBondContact O-CB 3.4Å; Y92-D96 PolarHBondContact O-N 3.28Å; N93-D96 WeakPolarHBondContact O-CB 3.35Å; N93-D96 PolarHBondContact O-N 3.24Å; D96-R98 VanDerWaalsContact C-N 3.31Å; D96-R98 PolarHBondContact O-N 3.4Å; D96-I99 PolarHBondContact O-N 2.9Å; D96-R100 PolarHBondContact O-N 2.93Å; D96-R100 IonicContact OD1-CZ 2.97Å; D96-R100 IonicContact OD1-NE 3.7Å; D96-R100 IonicContact OD1-NH1 2.82Å; D96-R100 PolarHBondContact OD1-NH1 3.09Å; D96-R100 IonicContact OD1-NH2 2.81Å; D96-R100 IonicContact OD2-CZ 3.29Å; D96-R100 IonicContact OD2-NH1 3.42Å; D96-R100 PolarHBondContact OD2-NH1 3.21Å; D96-R100 IonicContact OD2-NH2 3.52Å; D96-R100 PolarHBondContact OD2-NH2 2.87Å
97E95.9Very high96.5Very high90 Ų9027.7 Ų27.742%0.42114%0.138SC..Hα-helixtrans-58.8-41.6172.8-74.9168.9-17600112.4N93 V95 A101N93-E97 PolarHBondContact ND2-OE1 2.96Å; N93-E97 WeakPolarHBondContact O-CG 3.3Å; N93-E97 PolarHBondContact O-N 3.42Å; V95-E97 PolarHBondContact O-N 3.18Å; E97-A101 WeakPolarHBondContact O-CB 3.47Å; E97-A101 PolarHBondContact O-N 2.93Å
98R97.6Very high96.2Very high64 Ų6432.1 Ų32.124%0.24216%0.157CC..Hα-helixtrans-71.4-38.6177.9-70.2175.6178.476.2-4.7112.5E94 V95 D96 A101 I102 I132 M219E94-R98 WeakPolarHBondContact O-CG 3.44Å; E94-R98 PolarHBondContact O-N 3.44Å; E94-R98 PolarHBondContact O-NH1 3.14Å; V95-R98 PolarHBondContact O-N 3.33Å; V95-R98 VanDerWaalsContact O-N 3.15Å; D96-R98 VanDerWaalsContact C-N 3.31Å; D96-R98 PolarHBondContact O-N 3.4Å; R98-A101 PolarHBondContact O-N 3.4Å; R98-I102 WeakPolarHBondContact O-CB 3.43Å; R98-I102 WeakPolarHBondContact O-CG1 3.12Å; R98-I102 PolarHBondContact O-N 3.36Å; R98-I132 HydrophobicContact CB-CD1 4.08Å; R98-I132 HydrophobicContact CB-CG1 4.37Å; R98-I132 HydrophobicContact CB-CG2 3.84Å; R98-M219 HydrophobicContact CB-SD 4.3Å; R98-M219 HydrophobicContact CG-SD 3.93Å
99I96.8Very high96.1Very high7 Ų729.8 Ų29.84%0.03614%0.14CC..Hα-helixtrans-58.5-49.5174-75.2163.9000110.1F64 V95 D96 A101 I102 G103 I132 H135 A136 A139F64-I99 HydrophobicContact CD1-CD1 3.88Å; F64-I99 HydrophobicContact CD2-CD1 3.96Å; F64-I99 HydrophobicContact CE1-CD1 3.59Å; F64-I99 HydrophobicContact CE2-CD1 3.69Å; F64-I99 HydrophobicContact CG-CD1 4.06Å; F64-I99 HydrophobicContact CZ-CD1 3.5Å; V95-I99 HydrophobicContact CG1-CD1 3.78Å; V95-I99 HydrophobicContact CG1-CG1 4.34Å; V95-I99 WeakPolarHBondContact O-CG1 3.22Å; V95-I99 PolarHBondContact O-N 2.86Å; D96-I99 PolarHBondContact O-N 2.9Å; I99-A101 VanDerWaalsContact C-N 3.35Å; I99-A101 PolarHBondContact O-N 3.25Å; I99-I102 PolarHBondContact O-N 2.92Å; I99-G103 PolarHBondContact O-N 2.84Å; I99-I132 HydrophobicContact CG1-CG2 4.38Å; I99-H135 HydrophobicContact CD1-CB 3.49Å; I99-H135 VanDerWaalsContact CD1-CB 3.49Å; I99-H135 HydrophobicContact CG1-CB 3.82Å; I99-H135 HydrophobicContact CG2-CB 4.49Å; I99-A136 HydrophobicContact CG2-CB 4.43Å; I99-A136 WeakPolarHBondContact O-CB 3.33Å; I99-A139 HydrophobicContact CG2-CB 4.34Å
100R94.5Very high95.8Very high73 Ų7328 Ų2828%0.27513%0.133SC..Hα-helixtrans-63.5-40.4178.1-73.8-170-77.7-106.4-0.4112.3D96 S104 Y140 L226D96-R100 PolarHBondContact O-N 2.93Å; D96-R100 IonicContact OD1-CZ 2.97Å; D96-R100 IonicContact OD1-NE 3.7Å; D96-R100 IonicContact OD1-NH1 2.82Å; D96-R100 PolarHBondContact OD1-NH1 3.09Å; D96-R100 IonicContact OD1-NH2 2.81Å; D96-R100 IonicContact OD2-CZ 3.29Å; D96-R100 IonicContact OD2-NH1 3.42Å; D96-R100 PolarHBondContact OD2-NH1 3.21Å; D96-R100 IonicContact OD2-NH2 3.52Å; D96-R100 PolarHBondContact OD2-NH2 2.87Å; R100-S104 WeakPolarHBondContact O-CB 3.23Å; R100-S104 PolarHBondContact O-N 2.94Å; R100-S104 PolarHBondContact O-OG 3.27Å; R100-Y140 PolarHBondContact O-OH 3.13Å; R100-L226 HydrophobicContact CB-CD1 3.98Å
101A95.3Very high95.4Very high0 Ų032.9 Ų32.90%016%0.156CC..Hα-helixtrans-62.1-56.1176.200000111E97 R98 I99 G103 S104 A105 G222 M223E97-A101 WeakPolarHBondContact O-CB 3.47Å; E97-A101 PolarHBondContact O-N 2.93Å; R98-A101 PolarHBondContact O-N 3.4Å; I99-A101 VanDerWaalsContact C-N 3.35Å; I99-A101 PolarHBondContact O-N 3.25Å; A101-G103 PolarHBondContact O-N 2.65Å; A101-S104 PolarHBondContact O-N 3.01Å; A101-A105 PolarHBondContact O-N 2.94Å; A101-G222 WeakPolarHBondContact O-CA 3.47Å; A101-M223 HydrophobicContact CB-CE 4.29Å; A101-M223 HydrophobicContact CB-CG 3.77Å
102I97Very high94.9Very high0 Ų034.5 Ų34.50%016%0.16CC..Hα-helixtrans-58-48.2179.4-68.4-66000111.2R98 I99 S104 A105 L106 I132 M133 A136 F215 L218 M219R98-I102 WeakPolarHBondContact O-CB 3.43Å; R98-I102 WeakPolarHBondContact O-CG1 3.12Å; R98-I102 PolarHBondContact O-N 3.36Å; I99-I102 PolarHBondContact O-N 2.92Å; I102-S104 VanDerWaalsContact C-N 3.32Å; I102-S104 PolarHBondContact O-N 3.41Å; I102-A105 WeakPolarHBondContact O-CB 3.4Å; I102-A105 PolarHBondContact O-N 2.82Å; I102-A105 VanDerWaalsContact O-N 3.09Å; I102-L106 HydrophobicContact CG2-CD1 3.95Å; I102-L106 HydrophobicContact CG2-CG 4.13Å; I102-L106 WeakPolarHBondContact O-CG 3.44Å; I102-L106 PolarHBondContact O-N 3.23Å; I102-I132 HydrophobicContact CG1-CG2 3.97Å; I102-M133 HydrophobicContact CG2-CE 4.05Å; I102-M133 HydrophobicContact CG2-SD 3.79Å; I102-A136 HydrophobicContact CB-CB 3.81Å; I102-A136 HydrophobicContact CG2-CB 3.51Å; I102-F215 HydrophobicContact CD1-CD1 4.45Å; I102-F215 HydrophobicContact CD1-CD2 4.08Å; I102-F215 HydrophobicContact CD1-CE1 4.05Å; I102-F215 HydrophobicContact CD1-CE2 3.65Å; I102-F215 HydrophobicContact CD1-CG 4.47Å; I102-F215 HydrophobicContact CD1-CZ 3.64Å; I102-F215 HydrophobicContact CG1-CE1 4.4Å; I102-F215 HydrophobicContact CG1-CE2 4.09Å; I102-F215 HydrophobicContact CG1-CZ 3.78Å; I102-L218 HydrophobicContact CD1-CB 4.32Å; I102-L218 HydrophobicContact CD1-CD2 4.04Å; I102-L218 HydrophobicContact CD1-CG 4.25Å; I102-M219 HydrophobicContact CD1-CB 4.35Å; I102-M219 HydrophobicContact CD1-CG 3.33Å; I102-M219 HydrophobicContact CG1-CG 3.79Å
103G94.6Very high94.4Very high0 Ų038.8 Ų38.80%018%0.179CC..Hα-helixtrans-63.4-37.1-179.300000113.5I99 A101 A105 L106 S107 Y140I99-G103 PolarHBondContact O-N 2.84Å; A101-G103 PolarHBondContact O-N 2.65Å; G103-A105 VanDerWaalsContact C-N 3.32Å; G103-A105 PolarHBondContact O-N 3.46Å; G103-L106 PolarHBondContact O-N 3.49Å; G103-S107 PolarHBondContact O-N 2.96Å; G103-S107 PolarHBondContact O-OG 2.85Å; G103-Y140 VanDerWaalsContact C-CD1 3.49Å; G103-Y140 VanDerWaalsContact CA-CD2 3.48Å; G103-Y140 VanDerWaalsContact O-CD1 3.29Å; G103-Y140 WeakPolarHBondContact O-CD1 3.2Å; G103-Y140 WeakPolarHBondContact O-CE1 3.44Å
104S92.3Very high93.7Very high0 Ų045.5 Ų45.50%021%0.209CC..Hα-helixtrans-66.5-34.1173.5-610000112.5R100 A101 I102 S107 Y140 L226R100-S104 WeakPolarHBondContact O-CB 3.23Å; R100-S104 PolarHBondContact O-N 2.94Å; R100-S104 PolarHBondContact O-OG 3.27Å; A101-S104 PolarHBondContact O-N 3.01Å; I102-S104 VanDerWaalsContact C-N 3.32Å; I102-S104 PolarHBondContact O-N 3.41Å; S104-S107 WeakPolarHBondContact CA-OG 3.49Å; S104-S107 PolarHBondContact O-OG 3.37Å; S104-Y140 PolarHBondContact OG-OH 3.3Å; S104-L226 WeakPolarHBondContact OG-CD2 3.4Å
105A95.1Very high93Very high0 Ų050.6 Ų50.60%024%0.238CC..Hα-helixtrans-72.7-43.3174.400000111.7A101 I102 G103 S107 K108 V109 L218 L221A101-A105 PolarHBondContact O-N 2.94Å; I102-A105 WeakPolarHBondContact O-CB 3.4Å; I102-A105 PolarHBondContact O-N 2.82Å; I102-A105 VanDerWaalsContact O-N 3.09Å; G103-A105 VanDerWaalsContact C-N 3.32Å; G103-A105 PolarHBondContact O-N 3.46Å; A105-S107 PolarHBondContact O-N 3.32Å; A105-K108 WeakPolarHBondContact O-CA 3.4Å; A105-K108 WeakPolarHBondContact O-CB 3.17Å; A105-K108 PolarHBondContact O-N 2.84Å; A105-V109 WeakPolarHBondContact O-CG2 3.4Å; A105-V109 PolarHBondContact O-N 3.32Å; A105-L218 HydrophobicContact CB-CD1 3.56Å; A105-L218 HydrophobicContact CB-CG 3.61Å; A105-L218 WeakPolarHBondContact CB-O 3.49Å; A105-L221 HydrophobicContact CB-CB 4.47Å; A105-L221 HydrophobicContact CB-CD2 4.4Å
106L94.8Very high92.5Very high0 Ų053.3 Ų53.30%026%0.257CS..Hα-helixtrans-57.6-47176.3-71.3175.9000111.6I102 G103 K108 V109 V110 I120 M133 Y142 I191 L218I102-L106 HydrophobicContact CG2-CD1 3.95Å; I102-L106 HydrophobicContact CG2-CG 4.13Å; I102-L106 WeakPolarHBondContact O-CG 3.44Å; I102-L106 PolarHBondContact O-N 3.23Å; G103-L106 PolarHBondContact O-N 3.49Å; L106-K108 PolarHBondContact O-N 3.17Å; L106-V109 PolarHBondContact O-N 3.11Å; L106-V110 HydrophobicContact CD2-CG2 3.9Å; L106-V110 WeakPolarHBondContact O-CA 3.4Å; L106-V110 WeakPolarHBondContact O-CB 3.23Å; L106-V110 PolarHBondContact O-N 2.98Å; L106-I120 HydrophobicContact CD1-CD1 3.84Å; L106-I120 HydrophobicContact CD2-CD1 3.94Å; L106-I120 HydrophobicContact CG-CD1 4.4Å; L106-M133 HydrophobicContact CD1-SD 3.82Å; L106-M133 HydrophobicContact CD2-CE 4.5Å; L106-M133 HydrophobicContact CD2-SD 4.42Å; L106-Y142 HydrophobicContact CB-CE2 3.89Å; L106-Y142 HydrophobicContact CD1-CD2 4.48Å; L106-Y142 PolarHBondContact O-OH 2.88Å; L106-I191 HydrophobicContact CD2-CD1 3.85Å; L106-L218 HydrophobicContact CD2-CD2 4.26Å
107S91.3Very high92.2Very high31 Ų3156.9 Ų56.922%0.21727%0.273CS..Hα-helixtrans-62.6-13.7176.249.90000114.8G103 S104 A105 Y142 L239G103-S107 PolarHBondContact O-N 2.96Å; G103-S107 PolarHBondContact O-OG 2.85Å; S104-S107 WeakPolarHBondContact CA-OG 3.49Å; S104-S107 PolarHBondContact O-OG 3.37Å; A105-S107 PolarHBondContact O-N 3.32Å; S107-Y142 WeakPolarHBondContact CA-OH 3.45Å; S107-L239 WeakPolarHBondContact OG-CD1 3.43Å
108K90.9Very high92.1Very high113 Ų11353.3 Ų53.349%0.49126%0.257SS..Hα-helixtrans-96.1-40174.7-175.3173.7-169.2158.30112.9A105 L106 L221 E225A105-K108 WeakPolarHBondContact O-CA 3.4Å; A105-K108 WeakPolarHBondContact O-CB 3.17Å; A105-K108 PolarHBondContact O-N 2.84Å; L106-K108 PolarHBondContact O-N 3.17Å; K108-L221 HydrophobicContact CD-CD1 4.26Å; K108-L221 HydrophobicContact CD-CD2 4.44Å; K108-L221 HydrophobicContact CD-CG 4.41Å; K108-E225 IonicContact NZ-OE2 2.84Å; K108-E225 PolarHBondContact NZ-OE2 2.92Å
109V94.2Very high92.1Very high29 Ų2950.6 Ų50.618%0.17625%0.248CC..Hα-helixtrans-96.8-28.7-172.5-53.10000113.2A105 L106 I189 Y213 L218 L221A105-V109 WeakPolarHBondContact O-CG2 3.4Å; A105-V109 PolarHBondContact O-N 3.32Å; L106-V109 PolarHBondContact O-N 3.11Å; V109-I189 WeakPolarHBondContact O-CD1 3.45Å; V109-Y213 HydrophobicContact CB-CE2 4.33Å; V109-Y213 HydrophobicContact CG1-CE1 4.45Å; V109-Y213 HydrophobicContact CG1-CE2 4.39Å; V109-L218 HydrophobicContact CG1-CD1 4.38Å; V109-L218 HydrophobicContact CG2-CD1 3.95Å; V109-L221 HydrophobicContact CG1-CD2 3.59Å
110V93.5Very high92.1Very high5 Ų550.3 Ų50.33%0.0325%0.246CC..SBendtrans-102.9110.6178.2-1710000108.5L106 F112 Y142 C167 I189L106-V110 HydrophobicContact CD2-CG2 3.9Å; L106-V110 WeakPolarHBondContact O-CA 3.4Å; L106-V110 WeakPolarHBondContact O-CB 3.23Å; L106-V110 PolarHBondContact O-N 2.98Å; V110-F112 PolarHBondContact O-N 3.38Å; V110-Y142 HydrophobicContact CB-CE1 4.16Å; V110-Y142 HydrophobicContact CG1-CE1 3.93Å; V110-Y142 PolarHBondContact O-OH 2.95Å; V110-Y142 VanDerWaalsContact O-OH 3.06Å; V110-C167 HydrophobicContact CG1-CB 4.36Å; V110-C167 HydrophobicContact CG2-CB 4.09Å; V110-I189 HydrophobicContact CB-CD1 4.31Å; V110-I189 HydrophobicContact CG2-CD1 3.85Å
111E89.9Confident92.3Very high135 Ų13546.8 Ų46.863%0.63123%0.233SC*.PPolyproline II helixtrans-56.6128.4173.9-174.1-175.5-165.800110.4
112F87.8Confident92.5Very high70 Ų7046.8 Ų46.831%0.30723%0.233SC..PPolyproline II helixtrans-93.9117.6175-171.9-104.3000110.4V110 N118 S141 Y142 K240V110-F112 PolarHBondContact O-N 3.38Å; F112-N118 WeakPolarHBondContact CA-OD1 3.49Å; F112-N118 HydrophobicContact CD2-CB 3.65Å; F112-N118 WeakPolarHBondContact CD2-ND2 3.42Å; F112-N118 WeakPolarHBondContact CD2-OD1 3.38Å; F112-N118 HydrophobicContact CE2-CB 3.46Å; F112-N118 VanDerWaalsContact CE2-CB 3.46Å; F112-N118 WeakPolarHBondContact CE2-ND2 3.27Å; F112-N118 WeakPolarHBondContact CZ-ND2 3.38Å; F112-S141 VanDerWaalsContact CE2-O 3.27Å; F112-S141 WeakPolarHBondContact CE2-O 3.38Å; F112-Y142 HydrophobicContact CD2-CD1 4.49Å; F112-Y142 HydrophobicContact CD2-CE1 4.11Å; F112-K240 HydrophobicContact CD2-CD 4.42Å; F112-K240 HydrophobicContact CG-CD 4.32Å; F112-K240 VanDerWaalsContact CG-CE 3.44Å
113K88.8Confident92.5Very high90 Ų9047.3 Ų47.339%0.39124%0.235SC..PPolyproline II helixtrans-99.1123.4-177.3-62.2176.3-175.9176.50109.2D115 S116 N118K113-D115 VanDerWaalsContact C-N 3.28Å; K113-D115 PolarHBondContact O-N 3.04Å; K113-S116 PolarHBondContact O-N 3.2Å; K113-N118 PolarHBondContact N-OD1 2.67Å; K113-N118 PolarHBondContact O-ND2 3.37Å; K113-N118 PolarHBondContact O-OD1 3.31Å
114H83.3Confident92.4Very high170 Ų17047.4 Ų47.479%0.78724%0.236SC*.THydrogen-bonded Turntrans-64.4-30-175.8-72.8-71.2000114
115D83.2Confident92.4Very high173 Ų17351.1 Ų51.193%0.92526%0.26SS*.THydrogen-bonded Turntrans-101.632.9-179.4-57-45.8000112.4K113K113-D115 VanDerWaalsContact C-N 3.28Å; K113-D115 PolarHBondContact O-N 3.04Å
116S87.5Confident92.4Very high58 Ų5852.4 Ų52.441%0.40627%0.267SS..SBendtrans-137.3157.4-177.3-174.90000111.5K113 N118K113-S116 PolarHBondContact O-N 3.2Å; S116-N118 PolarHBondContact O-N 2.93Å; S116-N118 PolarHBondContact O-ND2 2.92Å; S116-N118 PolarHBondContact OG-N 3.44Å
117E91.2Very high92.5Very high87 Ų8753.3 Ų53.341%0.40727%0.273SS..  trans-75.8-5.3170.2-54.1-55168.800113V119 T143 L248 F498E117-V119 HydrophobicContact CB-CG2 3.98Å; E117-V119 PolarHBondContact O-N 2.87Å; E117-T143 VanDerWaalsContact O-CB 3.28Å; E117-T143 WeakPolarHBondContact O-CB 3.3Å; E117-T143 PolarHBondContact O-OG1 2.84Å; E117-T143 VanDerWaalsContact O-OG1 3.05Å; E117-L248 HydrophobicContact CB-CD1 4.39Å; E117-L248 HydrophobicContact CG-CD1 3.98Å; E117-L248 VanDerWaalsContact OE2-CD1 3.24Å; E117-L248 WeakPolarHBondContact OE2-CD1 3.37Å; E117-F498 HydrophobicContact CG-CE2 3.74Å; E117-F498 HydrophobicContact CG-CZ 4.41Å
118N94Very high92.8Very high14 Ų1452.1 Ų52.18%0.07526%0.264CS..  trans50.657.7173.8-65.2-79.1000113F112 K113 S116 Y142 T143F112-N118 WeakPolarHBondContact CA-OD1 3.49Å; F112-N118 HydrophobicContact CD2-CB 3.65Å; F112-N118 WeakPolarHBondContact CD2-ND2 3.42Å; F112-N118 WeakPolarHBondContact CD2-OD1 3.38Å; F112-N118 HydrophobicContact CE2-CB 3.46Å; F112-N118 VanDerWaalsContact CE2-CB 3.46Å; F112-N118 WeakPolarHBondContact CE2-ND2 3.27Å; F112-N118 WeakPolarHBondContact CZ-ND2 3.38Å; K113-N118 PolarHBondContact N-OD1 2.67Å; K113-N118 PolarHBondContact O-ND2 3.37Å; K113-N118 PolarHBondContact O-OD1 3.31Å; S116-N118 PolarHBondContact O-N 2.93Å; S116-N118 PolarHBondContact O-ND2 2.92Å; S116-N118 PolarHBondContact OG-N 3.44Å; N118-Y142 HydrophobicContact CB-CD1 4.05Å; N118-T143 PolarHBondContact O-N 3.42Å
119V96.9Very high93.2Very high8 Ų848 Ų485%0.04825%0.247CC..EExtended strand (participates in β ladder)trans-79.1133-170.8174.80000112E117 T143 V145 M165 I251E117-V119 HydrophobicContact CB-CG2 3.98Å; E117-V119 PolarHBondContact O-N 2.87Å; V119-T143 CarbonylContact C-O 3.57Å; V119-T143 VanDerWaalsContact CA-O 3.25Å; V119-T143 WeakPolarHBondContact CA-O 3.32Å; V119-V145 HydrophobicContact CG1-CB 3.87Å; V119-V145 HydrophobicContact CG1-CG2 3.34Å; V119-M165 HydrophobicContact CB-CB 4.12Å; V119-M165 HydrophobicContact CG1-CB 3.72Å; V119-M165 HydrophobicContact CG1-CE 4.22Å; V119-I251 HydrophobicContact CG2-CD1 4.07Å
120I98.3Very high93.3Very high0 Ų046.7 Ų46.70%024%0.239CC..EExtended strand (participates in β ladder)trans-117.1120.9166.9-62.4177.4000108.9L106 Y142 T143 I144 V145 C167L106-I120 HydrophobicContact CD1-CD1 3.84Å; L106-I120 HydrophobicContact CD2-CD1 3.94Å; L106-I120 HydrophobicContact CG-CD1 4.4Å; I120-Y142 HydrophobicContact CD1-CD1 3.7Å; I120-Y142 HydrophobicContact CD1-CD2 4.18Å; I120-Y142 HydrophobicContact CD1-CE1 4.28Å; I120-Y142 HydrophobicContact CD1-CG 3.65Å; I120-Y142 HydrophobicContact CG1-CD1 4.14Å; I120-Y142 HydrophobicContact CG1-CG 4.37Å; I120-T143 PolarHBondContact N-O 3.48Å; I120-I144 CarbonylContact O-C 3.6Å; I120-I144 WeakPolarHBondContact O-CA 3.36Å; I120-V145 PolarHBondContact O-N 2.82Å; I120-C167 WeakPolarHBondContact CA-O 3.21Å; I120-C167 HydrophobicContact CG1-CB 4.31Å
121G98.5Very high93.6Very high0 Ų046.5 Ų46.50%024%0.238CC..EExtended strand (participates in β ladder)trans-77.5146.4174.400000112.1V145 C167 V168 L169G121-V145 CarbonylContact C-O 3.53Å; G121-V145 VanDerWaalsContact CA-O 3.3Å; G121-V145 WeakPolarHBondContact CA-O 3.43Å; G121-C167 PolarHBondContact N-O 3.22Å; G121-V168 CarbonylContact O-C 3.46Å; G121-V168 WeakPolarHBondContact O-CA 3.26Å; G121-L169 PolarHBondContact O-N 3.4Å
122I98.6Very high94Very high0 Ų040.2 Ų40.20%021%0.209CC..EExtended strand (participates in β ladder)trans-126105.6171-52.4177.2000109.3A124 W130 M133 I144 V145 L147 L169I122-A124 HydrophobicContact CG2-CB 4.44Å; I122-W130 HydrophobicContact CD1-CZ2 4.36Å; I122-W130 HydrophobicContact CG2-CD2 4.28Å; I122-W130 HydrophobicContact CG2-CG 3.96Å; I122-W130 HydrophobicContact CG2-CZ2 4.5Å; I122-M133 HydrophobicContact CD1-CB 4.29Å; I122-M133 HydrophobicContact CD1-CG 3.88Å; I122-M133 HydrophobicContact CG1-CG 4.21Å; I122-I144 HydrophobicContact CD1-CB 4.38Å; I122-I144 HydrophobicContact CD1-CD1 4.45Å; I122-I144 HydrophobicContact CD1-CG2 4.15Å; I122-V145 PolarHBondContact N-O 3.05Å; I122-L147 PolarHBondContact O-N 2.92Å; I122-L169 HydrophobicContact CG1-CB 4.48Å; I122-L169 HydrophobicContact CG2-CB 4.3Å; I122-L169 HydrophobicContact CG2-CD2 3.98Å; I122-L169 HydrophobicContact CG2-CG 4.38Å
123Y96.8Very high94.5Very high11 Ų1136.9 Ų36.94%0.04319%0.194CC..EExtended strand (participates in β ladder)trans-108.975.6179-169.1-149.9000111.1L147 M156 L169 C170 A171 E175 H178 L179Y123-L147 HydrophobicContact CD2-CB 3.81Å; Y123-L147 HydrophobicContact CG-CB 4.18Å; Y123-M156 HydrophobicContact CD2-CE 4.23Å; Y123-M156 HydrophobicContact CE1-CE 4.26Å; Y123-M156 HydrophobicContact CE2-CE 3.85Å; Y123-L169 PolarHBondContact N-O 3.44Å; Y123-C170 WeakPolarHBondContact O-CA 3.45Å; Y123-A171 PolarHBondContact O-N 3.34Å; Y123-A171 VanDerWaalsContact O-N 3.13Å; Y123-E175 HydrophobicContact CD1-CB 3.51Å; Y123-E175 HydrophobicContact CD1-CG 3.85Å; Y123-E175 HydrophobicContact CE1-CB 3.66Å; Y123-E175 HydrophobicContact CE1-CG 3.77Å; Y123-E175 HydrophobicContact CG-CB 4.3Å; Y123-E175 HydrophobicContact CG-CG 4.33Å; Y123-H178 AromaticContact CE1-ND1 3.85Å; Y123-H178 AromaticContact CZ-ND1 3.84Å; Y123-H178 PolarHBondContact OH-ND1 3.49Å; Y123-L179 HydrophobicContact CD1-CD1 3.87Å; Y123-L179 HydrophobicContact CD1-CD2 4.26Å; Y123-L179 HydrophobicContact CD1-CG 3.93Å; Y123-L179 HydrophobicContact CE1-CD2 4.48Å; Y123-L179 HydrophobicContact CE1-CG 4.25Å
124A94.4Very high95Very high2 Ų232.6 Ų32.62%0.01718%0.175CC..SBendtrans-152.4153.8-178.300000111.7I122 A171 I193I122-A124 HydrophobicContact CG2-CB 4.44Å; A124-A171 HydrophobicContact CB-CB 3.79Å; A124-I193 HydrophobicContact CB-CD1 4.33Å
125P91.4Very high95.7Very high78 Ų7824.7 Ų24.751%0.50614%0.139SC..  trans-66.8170.4166.432.8-34000110.2S127 A171P125-S127 PolarHBondContact O-N 3.08Å; P125-A171 VanDerWaalsContact CD-CB 3.49Å; P125-A171 HydrophobicContact CG-CB 4.46Å
126N94.9Very high96.3Very high27 Ų2716.4 Ų16.414%0.1449%0.094CC..SBendtrans-60.7125.6178.9-60.116.2000111.2S295 L297 L299 F320N126-S295 PolarHBondContact ND2-OG 2.93Å; N126-L297 PolarHBondContact ND2-O 2.94Å; N126-L299 HydrophobicContact CB-CD1 3.68Å; N126-L299 HydrophobicContact CB-CG 4.27Å; N126-L299 PolarHBondContact OD1-N 3.38Å; N126-F320 HydrophobicContact CB-CD1 3.78Å; N126-F320 HydrophobicContact CB-CE1 4.14Å
127S96.7Very high96.8Very high19 Ų1913.7 Ų13.713%0.1338%0.075CC..  trans-153.2165.5176.384.70000111.2P125 E129 W130 V131P125-S127 PolarHBondContact O-N 3.08Å; S127-E129 WeakPolarHBondContact CB-OE2 3.45Å; S127-E129 PolarHBondContact O-N 3.26Å; S127-E129 PolarHBondContact OG-N 3.26Å; S127-E129 PolarHBondContact OG-OE2 2.94Å; S127-W130 VanDerWaalsContact O-CB 3.29Å; S127-W130 WeakPolarHBondContact O-CB 3.25Å; S127-W130 PolarHBondContact O-N 3.42Å; S127-W130 PolarHBondContact OG-N 2.94Å; S127-W130 VanDerWaalsContact OG-N 3.15Å; S127-V131 PolarHBondContact O-N 2.8Å
128P98.4Very high97.1Very high5 Ų59.5 Ų9.53%0.0326%0.056CC..Hα-helixtrans-55.9-38.8170.7-26.936.6000113L77 K79 W130 V131 I132 F320L77-P128 HydrophobicContact CB-CB 4.15Å; L77-P128 HydrophobicContact CB-CG 4.45Å; L77-P128 HydrophobicContact CD1-CB 4.22Å; K79-P128 HydrophobicContact CB-CG 4.05Å; K79-P128 HydrophobicContact CD-CG 4.01Å; K79-P128 HydrophobicContact CG-CG 4.15Å; P128-W130 VanDerWaalsContact C-N 3.33Å; P128-W130 PolarHBondContact O-N 3.01Å; P128-V131 PolarHBondContact O-N 2.86Å; P128-I132 WeakPolarHBondContact O-CB 3.31Å; P128-I132 WeakPolarHBondContact O-CD1 3.48Å; P128-I132 VanDerWaalsContact O-CG1 3.24Å; P128-I132 WeakPolarHBondContact O-CG1 3.39Å; P128-I132 PolarHBondContact O-N 3.04Å; P128-F320 HydrophobicContact CB-CE2 4.4Å; P128-F320 HydrophobicContact CG-CD2 3.71Å; P128-F320 HydrophobicContact CG-CE2 3.86Å
129E98.4Very high97.1Very high28 Ų289.3 Ų9.313%0.1316%0.056CC..Hα-helixtrans-65.1-37179.3-57.578.9-169.700111.6K79 S127 V131 I132 M133 I193 F215K79-E129 IonicContact NZ-OE1 3.32Å; K79-E129 PolarHBondContact NZ-OE1 2.96Å; S127-E129 WeakPolarHBondContact CB-OE2 3.45Å; S127-E129 PolarHBondContact O-N 3.26Å; S127-E129 PolarHBondContact OG-N 3.26Å; S127-E129 PolarHBondContact OG-OE2 2.94Å; E129-V131 PolarHBondContact O-N 3.42Å; E129-I132 PolarHBondContact O-N 3.43Å; E129-M133 WeakPolarHBondContact O-CB 3.31Å; E129-M133 PolarHBondContact O-N 3.43Å; E129-I193 HydrophobicContact CB-CD1 3.72Å; E129-I193 HydrophobicContact CB-CG1 4.04Å; E129-I193 HydrophobicContact CB-CG2 4.29Å; E129-I193 HydrophobicContact CG-CD1 4.49Å; E129-I193 HydrophobicContact CG-CG1 4.49Å; E129-I193 HydrophobicContact CG-CG2 3.87Å; E129-F215 HydrophobicContact CB-CD1 4.31Å; E129-F215 HydrophobicContact CB-CE1 3.99Å; E129-F215 HydrophobicContact CB-CE2 4.21Å; E129-F215 HydrophobicContact CB-CZ 3.93Å; E129-F215 HydrophobicContact CG-CD1 3.98Å; E129-F215 HydrophobicContact CG-CE1 3.83Å; E129-F215 HydrophobicContact CG-CZ 4.3Å
130W98Very high97Very high0 Ų09 Ų90%05%0.054CC..Hα-helixtrans-56.3-50.1171.9-163.6108.5000111.1I122 S127 P128 M133 Q134 I144 P146 L299 Q305I122-W130 HydrophobicContact CD1-CZ2 4.36Å; I122-W130 HydrophobicContact CG2-CD2 4.28Å; I122-W130 HydrophobicContact CG2-CG 3.96Å; I122-W130 HydrophobicContact CG2-CZ2 4.5Å; S127-W130 VanDerWaalsContact O-CB 3.29Å; S127-W130 WeakPolarHBondContact O-CB 3.25Å; S127-W130 PolarHBondContact O-N 3.42Å; S127-W130 PolarHBondContact OG-N 2.94Å; S127-W130 VanDerWaalsContact OG-N 3.15Å; P128-W130 VanDerWaalsContact C-N 3.33Å; P128-W130 PolarHBondContact O-N 3.01Å; W130-M133 PolarHBondContact O-N 2.89Å; W130-Q134 HydrophobicContact CE3-CB 4.05Å; W130-Q134 HydrophobicContact CZ3-CB 3.84Å; W130-Q134 VanDerWaalsContact CZ3-CD 3.44Å; W130-Q134 HydrophobicContact CZ3-CG 3.9Å; W130-Q134 WeakPolarHBondContact O-CB 3.07Å; W130-Q134 PolarHBondContact O-N 3.45Å; W130-I144 HydrophobicContact CH2-CD1 4.16Å; W130-P146 HydrophobicContact CH2-CG 4.33Å; W130-P146 HydrophobicContact CZ2-CB 4.03Å; W130-P146 HydrophobicContact CZ2-CG 4.14Å; W130-L299 HydrophobicContact CB-CD1 4.23Å; W130-L299 HydrophobicContact CD2-CB 3.9Å; W130-L299 HydrophobicContact CD2-CD1 3.46Å; W130-L299 VanDerWaalsContact CD2-CD1 3.46Å; W130-L299 HydrophobicContact CD2-CG 4.2Å; W130-L299 HydrophobicContact CE3-CB 3.92Å; W130-L299 HydrophobicContact CE3-CD1 3.34Å; W130-L299 HydrophobicContact CE3-CD2 4.08Å; W130-L299 HydrophobicContact CE3-CG 3.95Å; W130-L299 HydrophobicContact CG-CD1 3.83Å; W130-L299 HydrophobicContact CH2-CB 3.71Å; W130-L299 HydrophobicContact CH2-CD2 4.49Å; W130-L299 HydrophobicContact CH2-CG 4.48Å; W130-L299 HydrophobicContact CZ2-CB 3.63Å; W130-L299 HydrophobicContact CZ3-CB 3.77Å; W130-L299 HydrophobicContact CZ3-CD1 3.95Å; W130-L299 HydrophobicContact CZ3-CD2 3.85Å; W130-L299 HydrophobicContact CZ3-CG 4.04Å; W130-Q305 VanDerWaalsContact CZ3-NE2 3.27Å
131V98.7Very high96.8Very high2 Ų29.9 Ų9.91%0.0126%0.06CC..Hα-helixtrans-70-38.5-178.1179.40000111.9L77 S127 P128 E129 Q134 H135 L299 L308 I312 F320L77-V131 HydrophobicContact CD1-CB 3.96Å; L77-V131 HydrophobicContact CD1-CG1 3.94Å; L77-V131 HydrophobicContact CD2-CB 4.42Å; L77-V131 HydrophobicContact CD2-CG1 4.07Å; S127-V131 PolarHBondContact O-N 2.8Å; P128-V131 PolarHBondContact O-N 2.86Å; E129-V131 PolarHBondContact O-N 3.42Å; V131-Q134 WeakPolarHBondContact O-CB 3.47Å; V131-Q134 PolarHBondContact O-N 2.82Å; V131-H135 PolarHBondContact O-CD2 3.19Å; V131-H135 VanDerWaalsContact O-CD2 3.31Å; V131-H135 PolarHBondContact O-N 2.65Å; V131-L299 HydrophobicContact CG2-CD1 4.24Å; V131-L308 HydrophobicContact CB-CD2 4.34Å; V131-L308 HydrophobicContact CG1-CD2 3.96Å; V131-L308 HydrophobicContact CG2-CD2 3.42Å; V131-L308 VanDerWaalsContact CG2-CD2 3.42Å; V131-I312 HydrophobicContact CG1-CD1 4.15Å; V131-F320 HydrophobicContact CG2-CE1 4.05Å; V131-F320 HydrophobicContact CG2-CZ 3.65Å
132I98.7Very high96.7Very high3 Ų39.9 Ų9.92%0.0156%0.06CC..Hα-helixtrans-62.1-46.1174.4-70.4160.3000110.2L77 L90 V95 R98 I99 I102 P128 E129 H135 A136 F215L77-I132 HydrophobicContact CD1-CG1 4.22Å; L90-I132 HydrophobicContact CD1-CD1 4.16Å; V95-I132 HydrophobicContact CG1-CG1 4.17Å; R98-I132 HydrophobicContact CB-CD1 4.08Å; R98-I132 HydrophobicContact CB-CG1 4.37Å; R98-I132 HydrophobicContact CB-CG2 3.84Å; I99-I132 HydrophobicContact CG1-CG2 4.38Å; I102-I132 HydrophobicContact CG1-CG2 3.97Å; P128-I132 WeakPolarHBondContact O-CB 3.31Å; P128-I132 WeakPolarHBondContact O-CD1 3.48Å; P128-I132 VanDerWaalsContact O-CG1 3.24Å; P128-I132 WeakPolarHBondContact O-CG1 3.39Å; P128-I132 PolarHBondContact O-N 3.04Å; E129-I132 PolarHBondContact O-N 3.43Å; I132-H135 PolarHBondContact O-N 2.87Å; I132-A136 VanDerWaalsContact O-CB 3.28Å; I132-A136 WeakPolarHBondContact O-CB 3.48Å; I132-A136 PolarHBondContact O-N 2.68Å; I132-F215 HydrophobicContact CB-CZ 4.29Å; I132-F215 HydrophobicContact CG2-CZ 3.94Å
133M98.7Very high96.6Very high0 Ų010.2 Ų10.20%06%0.062CC..Hα-helixtrans-61.4-47.3176.9-178.960.482.600111.5I102 L106 I122 E129 W130 H135 A136 C137 L169 I191 F215 L218I102-M133 HydrophobicContact CG2-CE 4.05Å; I102-M133 HydrophobicContact CG2-SD 3.79Å; L106-M133 HydrophobicContact CD1-SD 3.82Å; L106-M133 HydrophobicContact CD2-CE 4.5Å; L106-M133 HydrophobicContact CD2-SD 4.42Å; I122-M133 HydrophobicContact CD1-CB 4.29Å; I122-M133 HydrophobicContact CD1-CG 3.88Å; I122-M133 HydrophobicContact CG1-CG 4.21Å; E129-M133 WeakPolarHBondContact O-CB 3.31Å; E129-M133 PolarHBondContact O-N 3.43Å; W130-M133 PolarHBondContact O-N 2.89Å; M133-H135 PolarHBondContact O-N 3.36Å; M133-A136 PolarHBondContact O-N 3.42Å; M133-C137 WeakPolarHBondContact O-CB 3.3Å; M133-C137 PolarHBondContact O-N 2.83Å; M133-C137 PolarHBondContact O-SG 2.8Å; M133-L169 HydrophobicContact CB-CD2 3.51Å; M133-L169 HydrophobicContact CE-CB 4.16Å; M133-L169 HydrophobicContact CE-CD1 4.09Å; M133-L169 HydrophobicContact CE-CD2 4.03Å; M133-L169 HydrophobicContact CE-CG 4.34Å; M133-L169 HydrophobicContact CG-CB 4.37Å; M133-L169 HydrophobicContact CG-CD2 3.61Å; M133-I191 HydrophobicContact CE-CD1 3.73Å; M133-I191 HydrophobicContact CE-CG2 4.32Å; M133-F215 HydrophobicContact CB-CE2 4.41Å; M133-F215 HydrophobicContact CE-CD2 4.32Å; M133-F215 HydrophobicContact CE-CE2 4.07Å; M133-L218 HydrophobicContact CE-CD2 4.36Å
134Q98.5Very high96.7Very high0 Ų09.7 Ų9.70%06%0.06CC..Hα-helixtrans-52.9-50.4175.9171.3-161.54.600111.9W130 V131 C137 A138 I144 Y249W130-Q134 HydrophobicContact CE3-CB 4.05Å; W130-Q134 HydrophobicContact CZ3-CB 3.84Å; W130-Q134 VanDerWaalsContact CZ3-CD 3.44Å; W130-Q134 HydrophobicContact CZ3-CG 3.9Å; W130-Q134 WeakPolarHBondContact O-CB 3.07Å; W130-Q134 PolarHBondContact O-N 3.45Å; V131-Q134 WeakPolarHBondContact O-CB 3.47Å; V131-Q134 PolarHBondContact O-N 2.82Å; Q134-C137 PolarHBondContact O-N 3.32Å; Q134-A138 WeakPolarHBondContact O-CB 3.23Å; Q134-A138 PolarHBondContact O-N 2.98Å; Q134-I144 HydrophobicContact CB-CD1 4.27Å; Q134-I144 HydrophobicContact CG-CD1 3.83Å; Q134-Y249 VanDerWaalsContact CD-OH 3.31Å; Q134-Y249 HydrophobicContact CG-CE2 4.38Å; Q134-Y249 WeakPolarHBondContact CG-OH 3.3Å; Q134-Y249 PolarHBondContact NE2-OH 2.77Å
135H98.1Very high96.9Very high3 Ų39.6 Ų9.61%0.0146%0.059CC..Hα-helixtrans-75-28.8-178.8-79.9-77.9000113.2I99 V131 I132 M133 A139 I312I99-H135 HydrophobicContact CD1-CB 3.49Å; I99-H135 VanDerWaalsContact CD1-CB 3.49Å; I99-H135 HydrophobicContact CG1-CB 3.82Å; I99-H135 HydrophobicContact CG2-CB 4.49Å; V131-H135 PolarHBondContact O-CD2 3.19Å; V131-H135 VanDerWaalsContact O-CD2 3.31Å; V131-H135 PolarHBondContact O-N 2.65Å; I132-H135 PolarHBondContact O-N 2.87Å; M133-H135 PolarHBondContact O-N 3.36Å; H135-A139 VanDerWaalsContact O-CB 3.26Å; H135-A139 WeakPolarHBondContact O-CB 3.35Å; H135-A139 PolarHBondContact O-N 3.5Å; H135-I312 WeakPolarHBondContact NE2-CD1 3.36Å
136A96.9Very high97.2Very high0 Ų06 Ų60%04%0.036CC..Hα-helixtrans-64.7-45.7170.200000111.5I99 I102 I132 M133 A139 Y140I99-A136 HydrophobicContact CG2-CB 4.43Å; I99-A136 WeakPolarHBondContact O-CB 3.33Å; I102-A136 HydrophobicContact CB-CB 3.81Å; I102-A136 HydrophobicContact CG2-CB 3.51Å; I132-A136 VanDerWaalsContact O-CB 3.28Å; I132-A136 WeakPolarHBondContact O-CB 3.48Å; I132-A136 PolarHBondContact O-N 2.68Å; M133-A136 PolarHBondContact O-N 3.42Å; A136-A139 PolarHBondContact O-N 2.78Å; A136-Y140 WeakPolarHBondContact O-CB 3.47Å; A136-Y140 WeakPolarHBondContact O-CD2 3.26Å; A136-Y140 PolarHBondContact O-N 3.42Å
137C97.1Very high97Very high0 Ų04.8 Ų4.80%03%0.029CC..Hα-helixtrans-59.4-48.8174.3-660000110.8M133 Q134 A139 Y140 S141 Y142 I144M133-C137 WeakPolarHBondContact O-CB 3.3Å; M133-C137 PolarHBondContact O-N 2.83Å; M133-C137 PolarHBondContact O-SG 2.8Å; Q134-C137 PolarHBondContact O-N 3.32Å; C137-A139 PolarHBondContact O-N 2.85Å; C137-Y140 CarbonylContact O-C 3.54Å; C137-Y140 PolarHBondContact O-N 2.88Å; C137-S141 PolarHBondContact O-N 3.48Å; C137-Y142 CarbonylContact C-O 3.38Å; C137-Y142 PolarHBondContact O-N 2.85Å; C137-I144 HydrophobicContact CB-CG2 3.37Å
138A96.8Very high96.1Very high0 Ų04.6 Ų4.60%03%0.026CC..Hα-helixtrans-57.2-46.1176.600000112.8V60 Q134 Y140 P243 Y249 H268V60-A138 HydrophobicContact CB-CB 3.91Å; V60-A138 HydrophobicContact CG1-CB 3.82Å; Q134-A138 WeakPolarHBondContact O-CB 3.23Å; Q134-A138 PolarHBondContact O-N 2.98Å; A138-Y140 VanDerWaalsContact C-N 3.3Å; A138-Y140 PolarHBondContact O-N 3.02Å; A138-P243 VanDerWaalsContact O-CG 3.24Å; A138-P243 WeakPolarHBondContact O-CG 3.49Å; A138-Y249 HydrophobicContact CB-CD2 4.02Å; A138-Y249 HydrophobicContact CB-CE2 3.91Å; A138-H268 PolarHBondContact O-CE1 2.89Å
139A95.3Very high94.5Very high9 Ų98 Ų87%0.0745%0.048CC..Hα-helixtrans-72.4-24.4-17700000113.5K61 I99 H135 A136 C137K61-A139 HydrophobicContact CB-CB 4.32Å; K61-A139 HydrophobicContact CD-CB 4.09Å; K61-A139 HydrophobicContact CG-CB 4.06Å; I99-A139 HydrophobicContact CG2-CB 4.34Å; H135-A139 VanDerWaalsContact O-CB 3.26Å; H135-A139 WeakPolarHBondContact O-CB 3.35Å; H135-A139 PolarHBondContact O-N 3.5Å; A136-A139 PolarHBondContact O-N 2.78Å; C137-A139 PolarHBondContact O-N 2.85Å
140Y93.9Very high93Very high2 Ų211.1 Ų11.11%0.0087%0.069CC..THydrogen-bonded Turntrans-110.221.2-179.1-72-109.5000111.9R100 G103 S104 A136 C137 A138 Y142 L237 L238 K240R100-Y140 PolarHBondContact O-OH 3.13Å; G103-Y140 VanDerWaalsContact C-CD1 3.49Å; G103-Y140 VanDerWaalsContact CA-CD2 3.48Å; G103-Y140 VanDerWaalsContact O-CD1 3.29Å; G103-Y140 WeakPolarHBondContact O-CD1 3.2Å; G103-Y140 WeakPolarHBondContact O-CE1 3.44Å; S104-Y140 PolarHBondContact OG-OH 3.3Å; A136-Y140 WeakPolarHBondContact O-CB 3.47Å; A136-Y140 WeakPolarHBondContact O-CD2 3.26Å; A136-Y140 PolarHBondContact O-N 3.42Å; C137-Y140 CarbonylContact O-C 3.54Å; C137-Y140 PolarHBondContact O-N 2.88Å; A138-Y140 VanDerWaalsContact C-N 3.3Å; A138-Y140 PolarHBondContact O-N 3.02Å; Y140-Y142 WeakPolarHBondContact O-CD2 3.07Å; Y140-Y142 PolarHBondContact O-N 2.96Å; Y140-L237 PolarHBondContact OH-O 3.08Å; Y140-L238 HydrophobicContact CD2-CD2 4.29Å; Y140-L238 HydrophobicContact CE1-CD2 4.07Å; Y140-L238 HydrophobicContact CE2-CD2 3.66Å; Y140-K240 WeakPolarHBondContact O-CD 3.48Å; Y140-K240 VanDerWaalsContact O-CE 3.29Å; Y140-K240 WeakPolarHBondContact O-CE 3.39Å; Y140-K240 PolarHBondContact O-NZ 3.33Å
141S94Very high91.7Very high18 Ų1811.5 Ų11.513%0.1267%0.071CC..THydrogen-bonded Turntrans55.446.8172.1-44.90000113.2F112 C137 K240 K241 P243F112-S141 VanDerWaalsContact CE2-O 3.27Å; F112-S141 WeakPolarHBondContact CE2-O 3.38Å; C137-S141 PolarHBondContact O-N 3.48Å; S141-K240 PolarHBondContact O-NZ 2.86Å; S141-K241 PolarHBondContact OG-O 3.17Å; S141-P243 WeakPolarHBondContact OG-CA 3.48Å
142Y96.1Very high90.3Very high1 Ų113.3 Ų13.30%0.0049%0.09CC..  trans-108.6137.3164.9-68.1-83.1000108.7L106 S107 V110 F112 N118 I120 C137 Y140L106-Y142 HydrophobicContact CB-CE2 3.89Å; L106-Y142 HydrophobicContact CD1-CD2 4.48Å; L106-Y142 PolarHBondContact O-OH 2.88Å; S107-Y142 WeakPolarHBondContact CA-OH 3.45Å; V110-Y142 HydrophobicContact CB-CE1 4.16Å; V110-Y142 HydrophobicContact CG1-CE1 3.93Å; V110-Y142 PolarHBondContact O-OH 2.95Å; V110-Y142 VanDerWaalsContact O-OH 3.06Å; F112-Y142 HydrophobicContact CD2-CD1 4.49Å; F112-Y142 HydrophobicContact CD2-CE1 4.11Å; N118-Y142 HydrophobicContact CB-CD1 4.05Å; I120-Y142 HydrophobicContact CD1-CD1 3.7Å; I120-Y142 HydrophobicContact CD1-CD2 4.18Å; I120-Y142 HydrophobicContact CD1-CE1 4.28Å; I120-Y142 HydrophobicContact CD1-CG 3.65Å; I120-Y142 HydrophobicContact CG1-CD1 4.14Å; I120-Y142 HydrophobicContact CG1-CG 4.37Å; C137-Y142 CarbonylContact C-O 3.38Å; C137-Y142 PolarHBondContact O-N 2.85Å; Y140-Y142 WeakPolarHBondContact O-CD2 3.07Å; Y140-Y142 PolarHBondContact O-N 2.96Å
143T97.5Very high89.5Confident6 Ų617 Ų174%0.03711%0.11CC..EExtended strand (participates in β ladder)trans-84.7131.4175.9-60.40000109.7E117 N118 V119 I120 L248 I251E117-T143 VanDerWaalsContact O-CB 3.28Å; E117-T143 WeakPolarHBondContact O-CB 3.3Å; E117-T143 PolarHBondContact O-OG1 2.84Å; E117-T143 VanDerWaalsContact O-OG1 3.05Å; N118-T143 PolarHBondContact O-N 3.42Å; V119-T143 CarbonylContact C-O 3.57Å; V119-T143 VanDerWaalsContact CA-O 3.25Å; V119-T143 WeakPolarHBondContact CA-O 3.32Å; I120-T143 PolarHBondContact N-O 3.48Å; T143-L248 HydrophobicContact CG2-CB 3.92Å; T143-L248 VanDerWaalsContact OG1-CB 3.28Å; T143-L248 WeakPolarHBondContact OG1-CB 3.37Å; T143-L248 PolarHBondContact OG1-O 2.72Å; T143-I251 HydrophobicContact CG2-CD1 4.11Å; T143-I251 HydrophobicContact CG2-CG1 3.87Å
144I98.6Very high88.7Confident0 Ų024.7 Ų24.70%015%0.145CC..EExtended strand (participates in β ladder)trans-92143.3177.461.4163.2000112.3I120 I122 W130 Q134 C137 P146 Y249 M250 I251I120-I144 CarbonylContact O-C 3.6Å; I120-I144 WeakPolarHBondContact O-CA 3.36Å; I122-I144 HydrophobicContact CD1-CB 4.38Å; I122-I144 HydrophobicContact CD1-CD1 4.45Å; I122-I144 HydrophobicContact CD1-CG2 4.15Å; W130-I144 HydrophobicContact CH2-CD1 4.16Å; Q134-I144 HydrophobicContact CB-CD1 4.27Å; Q134-I144 HydrophobicContact CG-CD1 3.83Å; C137-I144 HydrophobicContact CB-CG2 3.37Å; I144-P146 HydrophobicContact CD1-CG 4.27Å; I144-Y249 HydrophobicContact CD1-CE2 4.37Å; I144-Y249 HydrophobicContact CG1-CE2 4.42Å; I144-Y249 WeakPolarHBondContact CG1-O 3.38Å; I144-Y249 PolarHBondContact N-O 3.42Å; I144-M250 HydrophobicContact CD1-CE 3.52Å; I144-M250 HydrophobicContact CG1-CB 3.98Å; I144-M250 HydrophobicContact CG1-CE 4.06Å; I144-M250 HydrophobicContact CG1-CG 4.08Å; I144-M250 VanDerWaalsContact O-CA 3.3Å; I144-M250 WeakPolarHBondContact O-CA 3.44Å; I144-I251 PolarHBondContact O-N 3.2Å
145V98.5Very high87.9Confident0 Ų025.5 Ų25.50%015%0.152CC..EExtended strand (participates in β ladder)trans-116.8100165.91720000109.3V119 I120 G121 I122 L147 I159 T163 M165 I251 Y253V119-V145 HydrophobicContact CG1-CB 3.87Å; V119-V145 HydrophobicContact CG1-CG2 3.34Å; I120-V145 PolarHBondContact O-N 2.82Å; G121-V145 CarbonylContact C-O 3.53Å; G121-V145 VanDerWaalsContact CA-O 3.3Å; G121-V145 WeakPolarHBondContact CA-O 3.43Å; I122-V145 PolarHBondContact N-O 3.05Å; V145-L147 HydrophobicContact CG1-CD2 3.88Å; V145-L147 HydrophobicContact CG1-CG 4.44Å; V145-L147 PolarHBondContact O-N 3.33Å; V145-I159 HydrophobicContact CG1-CG2 3.82Å; V145-T163 HydrophobicContact CG2-CG2 3.99Å; V145-M165 HydrophobicContact CB-CE 3.78Å; V145-M165 HydrophobicContact CG1-CE 3.61Å; V145-M165 HydrophobicContact CG2-CE 4.27Å; V145-I251 HydrophobicContact CG2-CB 3.86Å; V145-I251 HydrophobicContact CG2-CD1 4.4Å; V145-Y253 HydrophobicContact CG1-CD2 4Å; V145-Y253 HydrophobicContact CG1-CE2 4.01Å; V145-Y253 HydrophobicContact CG2-CE2 4.49Å
146P96.8Very high87.4Confident4 Ų425.4 Ų25.43%0.02615%0.152CC..EExtended strand (participates in β ladder)trans-66.8123.2173.2-23.636000111.9W130 I144 M250 P300W130-P146 HydrophobicContact CH2-CG 4.33Å; W130-P146 HydrophobicContact CZ2-CB 4.03Å; W130-P146 HydrophobicContact CZ2-CG 4.14Å; I144-P146 HydrophobicContact CD1-CG 4.27Å; P146-M250 HydrophobicContact CG-CE 3.96Å; P146-M250 HydrophobicContact CG-CG 4.13Å; P146-M250 HydrophobicContact CG-SD 3.96Å; P146-P300 VanDerWaalsContact CB-CA 3.47Å; P146-P300 HydrophobicContact CB-CB 3.62Å; P146-P300 HydrophobicContact CB-CG 3.8Å
147L92.1Very high87.3Confident0 Ų027.6 Ų27.60%016%0.162CC..EExtended strand (participates in β ladder)trans-105.7131.7176.7-59.8174.8000109.4I122 Y123 V145 L151 M156 I159 M165 V168I122-L147 PolarHBondContact O-N 2.92Å; Y123-L147 HydrophobicContact CD2-CB 3.81Å; Y123-L147 HydrophobicContact CG-CB 4.18Å; V145-L147 HydrophobicContact CG1-CD2 3.88Å; V145-L147 HydrophobicContact CG1-CG 4.44Å; V145-L147 PolarHBondContact O-N 3.33Å; L147-L151 HydrophobicContact CB-CD1 4.09Å; L147-L151 HydrophobicContact CD2-CD1 3.94Å; L147-M156 HydrophobicContact CB-CE 4.37Å; L147-M156 HydrophobicContact CD1-SD 4.04Å; L147-M156 HydrophobicContact CD2-SD 4.08Å; L147-M156 HydrophobicContact CG-SD 4.49Å; L147-I159 HydrophobicContact CD2-CB 4.45Å; L147-I159 HydrophobicContact CD2-CD1 4.29Å; L147-I159 HydrophobicContact CD2-CG2 3.68Å; L147-M165 HydrophobicContact CD1-SD 4.41Å; L147-V168 HydrophobicContact CD1-CG1 4.49Å
148Y77Confident87.1Confident15 Ų1529.7 Ų29.76%0.05917%0.172CC..  trans-96.4140.8179.746.6-82.6000112T150 L151 P300 P655Y148-T150 VanDerWaalsContact CD2-C 3.49Å; Y148-T150 WeakPolarHBondContact CD2-OG1 3.31Å; Y148-T150 PolarHBondContact O-N 3.32Å; Y148-T150 VanDerWaalsContact O-N 3.13Å; Y148-L151 HydrophobicContact CD1-CD1 4.04Å; Y148-L151 HydrophobicContact CD1-CD2 4.14Å; Y148-L151 HydrophobicContact CD1-CG 3.73Å; Y148-L151 HydrophobicContact CD2-CB 4.02Å; Y148-L151 HydrophobicContact CD2-CD1 4.49Å; Y148-L151 HydrophobicContact CD2-CD2 4.12Å; Y148-L151 HydrophobicContact CD2-CG 3.49Å; Y148-L151 VanDerWaalsContact CD2-CG 3.49Å; Y148-L151 HydrophobicContact CE1-CD1 4.12Å; Y148-L151 HydrophobicContact CE1-CD2 3.45Å; Y148-L151 VanDerWaalsContact CE1-CD2 3.45Å; Y148-L151 HydrophobicContact CE1-CG 3.58Å; Y148-L151 VanDerWaalsContact CE2-CA 3.42Å; Y148-L151 HydrophobicContact CE2-CB 3.92Å; Y148-L151 HydrophobicContact CE2-CD2 3.41Å; Y148-L151 VanDerWaalsContact CE2-CD2 3.41Å; Y148-L151 HydrophobicContact CE2-CG 3.31Å; Y148-L151 HydrophobicContact CG-CD1 4.23Å; Y148-L151 HydrophobicContact CG-CD2 4.43Å; Y148-L151 HydrophobicContact CG-CG 3.68Å; Y148-L151 VanDerWaalsContact O-CB 3.31Å; Y148-L151 WeakPolarHBondContact O-CB 3.41Å; Y148-L151 WeakPolarHBondContact O-CG 3.35Å; Y148-L151 PolarHBondContact O-N 3.09Å; Y148-L151 WeakPolarHBondContact OH-CD2 3.42Å; Y148-P300 HydrophobicContact CD1-CB 4.43Å; Y148-P655 HydrophobicContact CE2-CB 4.28Å
149P64.7Low86.9Confident78 Ų7829.7 Ų29.751%0.50617%0.172SC..THydrogen-bonded Turntrans-57-24.1175.2-28.336.6000115.2L151P149-L151 VanDerWaalsContact C-N 3.34Å
150T67.8Low87Confident93 Ų9329.3 Ų29.357%0.57117%0.169SC*.THydrogen-bonded Turntrans-92.611.9178.8570000113.4Y148 G152Y148-T150 VanDerWaalsContact CD2-C 3.49Å; Y148-T150 WeakPolarHBondContact CD2-OG1 3.31Å; Y148-T150 PolarHBondContact O-N 3.32Å; Y148-T150 VanDerWaalsContact O-N 3.13Å; T150-G152 PolarHBondContact O-N 3.47Å
151L69.7Low87.1Confident8 Ų832.4 Ų32.44%0.04219%0.191CC..  trans-60.6125167.9-88165.1000107.7L147 Y148 P149 A155 M156 I159L147-L151 HydrophobicContact CB-CD1 4.09Å; L147-L151 HydrophobicContact CD2-CD1 3.94Å; Y148-L151 HydrophobicContact CD1-CD1 4.04Å; Y148-L151 HydrophobicContact CD1-CD2 4.14Å; Y148-L151 HydrophobicContact CD1-CG 3.73Å; Y148-L151 HydrophobicContact CD2-CB 4.02Å; Y148-L151 HydrophobicContact CD2-CD1 4.49Å; Y148-L151 HydrophobicContact CD2-CD2 4.12Å; Y148-L151 HydrophobicContact CD2-CG 3.49Å; Y148-L151 VanDerWaalsContact CD2-CG 3.49Å; Y148-L151 HydrophobicContact CE1-CD1 4.12Å; Y148-L151 HydrophobicContact CE1-CD2 3.45Å; Y148-L151 VanDerWaalsContact CE1-CD2 3.45Å; Y148-L151 HydrophobicContact CE1-CG 3.58Å; Y148-L151 VanDerWaalsContact CE2-CA 3.42Å; Y148-L151 HydrophobicContact CE2-CB 3.92Å; Y148-L151 HydrophobicContact CE2-CD2 3.41Å; Y148-L151 VanDerWaalsContact CE2-CD2 3.41Å; Y148-L151 HydrophobicContact CE2-CG 3.31Å; Y148-L151 HydrophobicContact CG-CD1 4.23Å; Y148-L151 HydrophobicContact CG-CD2 4.43Å; Y148-L151 HydrophobicContact CG-CG 3.68Å; Y148-L151 VanDerWaalsContact O-CB 3.31Å; Y148-L151 WeakPolarHBondContact O-CB 3.41Å; Y148-L151 WeakPolarHBondContact O-CG 3.35Å; Y148-L151 PolarHBondContact O-N 3.09Å; Y148-L151 WeakPolarHBondContact OH-CD2 3.42Å; P149-L151 VanDerWaalsContact C-N 3.34Å; L151-A155 HydrophobicContact CD2-CB 3.63Å; L151-M156 HydrophobicContact CB-CB 4.44Å; L151-M156 HydrophobicContact CB-CE 4.04Å; L151-M156 HydrophobicContact CD1-CE 3.57Å; L151-M156 HydrophobicContact CD1-SD 3.94Å; L151-M156 HydrophobicContact CG-CE 4.41Å; L151-I159 HydrophobicContact CD1-CD1 3.91Å; L151-I159 HydrophobicContact CD2-CD1 3.65Å; L151-I159 HydrophobicContact CG-CD1 4.48Å
152G68.6Low87.2Confident39 Ų3933 Ų3340%0.40219%0.191SC..  trans-67.8156165.800000110.5T150 E154 A155 M156T150-G152 PolarHBondContact O-N 3.47Å; G152-E154 VanDerWaalsContact C-N 3.33Å; G152-E154 PolarHBondContact O-N 3.05Å; G152-A155 WeakPolarHBondContact O-CA 3.22Å; G152-A155 WeakPolarHBondContact O-CB 3.12Å; G152-A155 PolarHBondContact O-N 2.94Å; G152-M156 PolarHBondContact O-N 3.14Å
153D82.2Confident87.3Confident82 Ų8233.5 Ų33.544%0.43920%0.195SC..Hα-helixtrans-55.2-44.6-174.7-68.35.6000112.7A155 M156 Q157 H178 F183D153-A155 VanDerWaalsContact C-N 3.29Å; D153-A155 PolarHBondContact O-N 3.37Å; D153-M156 PolarHBondContact O-N 2.88Å; D153-Q157 WeakPolarHBondContact O-CB 3.41Å; D153-Q157 PolarHBondContact O-N 2.87Å; D153-H178 IonicContact OD1-NE2 3.73Å; D153-F183 HydrophobicContact CB-CE1 3.78Å; D153-F183 HydrophobicContact CB-CZ 4.14Å; D153-F183 VanDerWaalsContact O-CE1 3.24Å; D153-F183 WeakPolarHBondContact O-CE1 3.48Å
154E81.8Confident87.2Confident160 Ų16038.8 Ų38.875%0.74822%0.219SC*.Hα-helixtrans-59.8-39.6177-65-179.7173.500112.6G152 H158G152-E154 VanDerWaalsContact C-N 3.33Å; G152-E154 PolarHBondContact O-N 3.05Å; E154-H158 WeakPolarHBondContact O-CB 3.35Å; E154-H158 PolarHBondContact O-N 2.59Å
155A83Confident87.1Confident17 Ų1739 Ų3914%0.1422%0.22CC..Hα-helixtrans-70.3-41.1178.700000111.3L151 G152 D153 H158 I159 P261L151-A155 HydrophobicContact CD2-CB 3.63Å; G152-A155 WeakPolarHBondContact O-CA 3.22Å; G152-A155 WeakPolarHBondContact O-CB 3.12Å; G152-A155 PolarHBondContact O-N 2.94Å; D153-A155 VanDerWaalsContact C-N 3.29Å; D153-A155 PolarHBondContact O-N 3.37Å; A155-H158 PolarHBondContact O-N 3.44Å; A155-I159 WeakPolarHBondContact O-CD1 3.42Å; A155-I159 VanDerWaalsContact O-CG1 3.24Å; A155-I159 WeakPolarHBondContact O-CG1 3.27Å; A155-I159 PolarHBondContact O-N 2.87Å; A155-I159 VanDerWaalsContact O-N 3.09Å; A155-P261 HydrophobicContact CB-CG 3.51Å
156M87.9Confident87Confident1 Ų139.9 Ų39.91%0.00522%0.224CC..Hα-helixtrans-62.9-49.8175.5-175.76580.700111.1Y123 L147 L151 G152 D153 H158 I159 L160 L179 F183Y123-M156 HydrophobicContact CD2-CE 4.23Å; Y123-M156 HydrophobicContact CE1-CE 4.26Å; Y123-M156 HydrophobicContact CE2-CE 3.85Å; L147-M156 HydrophobicContact CB-CE 4.37Å; L147-M156 HydrophobicContact CD1-SD 4.04Å; L147-M156 HydrophobicContact CD2-SD 4.08Å; L147-M156 HydrophobicContact CG-SD 4.49Å; L151-M156 HydrophobicContact CB-CB 4.44Å; L151-M156 HydrophobicContact CB-CE 4.04Å; L151-M156 HydrophobicContact CD1-CE 3.57Å; L151-M156 HydrophobicContact CD1-SD 3.94Å; L151-M156 HydrophobicContact CG-CE 4.41Å; G152-M156 PolarHBondContact O-N 3.14Å; D153-M156 PolarHBondContact O-N 2.88Å; M156-H158 VanDerWaalsContact C-N 3.31Å; M156-H158 PolarHBondContact O-N 3.33Å; M156-I159 PolarHBondContact O-N 2.93Å; M156-L160 HydrophobicContact CG-CD1 3.97Å; M156-L160 HydrophobicContact CG-CG 4.49Å; M156-L160 WeakPolarHBondContact O-CG 3.19Å; M156-L160 PolarHBondContact O-N 2.98Å; M156-L160 HydrophobicContact SD-CD1 4.44Å; M156-L160 HydrophobicContact SD-CG 4.49Å; M156-L179 HydrophobicContact CE-CD2 4.29Å; M156-L179 HydrophobicContact CG-CD2 4.21Å; M156-L179 HydrophobicContact SD-CD2 3.92Å; M156-F183 HydrophobicContact CB-CD1 4.42Å; M156-F183 HydrophobicContact CB-CE1 3.87Å; M156-F183 HydrophobicContact CB-CE2 4.1Å; M156-F183 HydrophobicContact CB-CZ 3.69Å; M156-F183 HydrophobicContact CG-CD1 4.34Å; M156-F183 HydrophobicContact CG-CD2 3.81Å; M156-F183 HydrophobicContact CG-CE1 4.08Å; M156-F183 HydrophobicContact CG-CE2 3.52Å; M156-F183 HydrophobicContact CG-CG 4.22Å; M156-F183 HydrophobicContact CG-CZ 3.67Å
157Q93.7Very high87Confident47 Ų4739.7 Ų39.722%0.2222%0.223CC..Hα-helixtrans-56.5-45.7177-176.157.264.400111.3D153 I159 L160 S161 F183 E184D153-Q157 WeakPolarHBondContact O-CB 3.41Å; D153-Q157 PolarHBondContact O-N 2.87Å; Q157-I159 PolarHBondContact O-N 3.18Å; Q157-L160 PolarHBondContact O-N 3.08Å; Q157-S161 PolarHBondContact NE2-OG 3.35Å; Q157-S161 WeakPolarHBondContact O-CB 3.37Å; Q157-S161 PolarHBondContact O-N 2.98Å; Q157-S161 PolarHBondContact O-OG 3.12Å; Q157-S161 VanDerWaalsContact O-OG 3.08Å; Q157-F183 HydrophobicContact CB-CD1 3.93Å; Q157-F183 VanDerWaalsContact OE1-CA 3.22Å; Q157-F183 VanDerWaalsContact OE1-CB 3.31Å; Q157-E184 PolarHBondContact NE2-O 2.76Å
158H92.4Very high87.4Confident44 Ų4439.7 Ų39.720%0.20422%0.223CC..Hα-helixtrans-58.3-45.7177.2175.260.2000112.6E154 A155 M156 S161 Q162 L260 P261E154-H158 WeakPolarHBondContact O-CB 3.35Å; E154-H158 PolarHBondContact O-N 2.59Å; A155-H158 PolarHBondContact O-N 3.44Å; M156-H158 VanDerWaalsContact C-N 3.31Å; M156-H158 PolarHBondContact O-N 3.33Å; H158-S161 PolarHBondContact O-N 2.93Å; H158-Q162 VanDerWaalsContact O-CB 3.24Å; H158-Q162 WeakPolarHBondContact O-CB 3.44Å; H158-Q162 PolarHBondContact O-N 3.36Å; H158-L260 HydrophobicContact CB-CD1 4.3Å; H158-L260 HydrophobicContact CB-CD2 4.04Å; H158-P261 PolarHBondContact CD2-O 3.47Å; H158-P261 PolarHBondContact NE2-O 2.96Å
159I94.2Very high88.4Confident0 Ų039 Ų390%022%0.22CC..Hα-helixtrans-64.5-46.4-179.9-67165.5000110.7V145 L147 L151 A155 M156 Q157 S161 Q162 T163 M165 Y253V145-I159 HydrophobicContact CG1-CG2 3.82Å; L147-I159 HydrophobicContact CD2-CB 4.45Å; L147-I159 HydrophobicContact CD2-CD1 4.29Å; L147-I159 HydrophobicContact CD2-CG2 3.68Å; L151-I159 HydrophobicContact CD1-CD1 3.91Å; L151-I159 HydrophobicContact CD2-CD1 3.65Å; L151-I159 HydrophobicContact CG-CD1 4.48Å; A155-I159 WeakPolarHBondContact O-CD1 3.42Å; A155-I159 VanDerWaalsContact O-CG1 3.24Å; A155-I159 WeakPolarHBondContact O-CG1 3.27Å; A155-I159 PolarHBondContact O-N 2.87Å; A155-I159 VanDerWaalsContact O-N 3.09Å; M156-I159 PolarHBondContact O-N 2.93Å; Q157-I159 PolarHBondContact O-N 3.18Å; I159-S161 PolarHBondContact O-N 2.9Å; I159-Q162 PolarHBondContact O-N 3.49Å; I159-T163 HydrophobicContact CG2-CG2 4.16Å; I159-T163 WeakPolarHBondContact O-CB 3.46Å; I159-T163 VanDerWaalsContact O-CG2 3.29Å; I159-T163 WeakPolarHBondContact O-CG2 3.43Å; I159-T163 PolarHBondContact O-N 2.91Å; I159-T163 PolarHBondContact O-OG1 2.93Å; I159-M165 HydrophobicContact CG2-CE 3.93Å; I159-Y253 HydrophobicContact CB-CE2 4.33Å; I159-Y253 HydrophobicContact CD1-CD1 4.1Å; I159-Y253 HydrophobicContact CD1-CD2 4.09Å; I159-Y253 HydrophobicContact CD1-CG 3.77Å; I159-Y253 HydrophobicContact CG1-CD1 3.65Å; I159-Y253 HydrophobicContact CG1-CD2 3.91Å; I159-Y253 HydrophobicContact CG1-CE1 3.74Å; I159-Y253 HydrophobicContact CG1-CE2 4.03Å; I159-Y253 HydrophobicContact CG1-CG 3.71Å; I159-Y253 HydrophobicContact CG2-CD2 3.94Å; I159-Y253 HydrophobicContact CG2-CE2 3.62Å
160L96.9Very high90Very high1 Ų135.2 Ų35.21%0.00520%0.196CC..Hα-helixtrans-59.7-45.8178.2-68.3168.9000111.2M156 Q157 E164 M165 L179 F183M156-L160 HydrophobicContact CG-CD1 3.97Å; M156-L160 HydrophobicContact CG-CG 4.49Å; M156-L160 WeakPolarHBondContact O-CG 3.19Å; M156-L160 PolarHBondContact O-N 2.98Å; M156-L160 HydrophobicContact SD-CD1 4.44Å; M156-L160 HydrophobicContact SD-CG 4.49Å; Q157-L160 PolarHBondContact O-N 3.08Å; L160-E164 WeakPolarHBondContact O-CA 3.44Å; L160-E164 PolarHBondContact O-N 2.87Å; L160-M165 HydrophobicContact CD2-CG 4.12Å; L160-M165 HydrophobicContact CD2-SD 4.05Å; L160-L179 HydrophobicContact CD1-CD2 4.1Å; L160-L179 HydrophobicContact CD2-CD2 4.5Å; L160-F183 HydrophobicContact CD1-CB 3.57Å; L160-F183 HydrophobicContact CD1-CD2 4.07Å; L160-F183 HydrophobicContact CD1-CG 3.88Å
161S96.6Very high91.3Very high67 Ų6731.7 Ų31.747%0.46918%0.176SC..Hα-helixtrans-68.5-39.5178.3-61.60000113.3Q157 H158 I159 E164Q157-S161 PolarHBondContact NE2-OG 3.35Å; Q157-S161 WeakPolarHBondContact O-CB 3.37Å; Q157-S161 PolarHBondContact O-N 2.98Å; Q157-S161 PolarHBondContact O-OG 3.12Å; Q157-S161 VanDerWaalsContact O-OG 3.08Å; H158-S161 PolarHBondContact O-N 2.93Å; I159-S161 PolarHBondContact O-N 2.9Å; S161-E164 WeakPolarHBondContact O-CG 3.44Å
162Q96.2Very high92.6Very high30 Ų3032.2 Ų32.214%0.1418%0.18CC..Hα-helixtrans-74.2-40.7-176.5-169-176.741.700112H158 I159 Y253 F498 K499H158-Q162 VanDerWaalsContact O-CB 3.24Å; H158-Q162 WeakPolarHBondContact O-CB 3.44Å; H158-Q162 PolarHBondContact O-N 3.36Å; I159-Q162 PolarHBondContact O-N 3.49Å; Q162-Y253 PolarHBondContact OE1-OH 3.45Å; Q162-F498 HydrophobicContact CG-CD1 4.11Å; Q162-F498 HydrophobicContact CG-CE1 4.18Å; Q162-F498 PolarHBondContact NE2-O 3.14Å; Q162-F498 VanDerWaalsContact NE2-O 3.11Å; Q162-F498 WeakPolarHBondContact O-CE1 3.44Å; Q162-K499 HydrophobicContact CG-CB 4.41Å; Q162-K499 HydrophobicContact CG-CD 4.32Å; Q162-K499 PolarHBondContact O-NZ 3.09Å
163T96.8Very high94Very high12 Ų1230.3 Ų30.37%0.07416%0.161CC..Hα-helixtrans-80.2-24.1-179.160.90000113.2V145 I159 M165 Y253 F498V145-T163 HydrophobicContact CG2-CG2 3.99Å; I159-T163 HydrophobicContact CG2-CG2 4.16Å; I159-T163 WeakPolarHBondContact O-CB 3.46Å; I159-T163 VanDerWaalsContact O-CG2 3.29Å; I159-T163 WeakPolarHBondContact O-CG2 3.43Å; I159-T163 PolarHBondContact O-N 2.91Å; I159-T163 PolarHBondContact O-OG1 2.93Å; T163-M165 HydrophobicContact CG2-CE 4.08Å; T163-M165 PolarHBondContact O-N 2.69Å; T163-M165 VanDerWaalsContact O-N 3.09Å; T163-M165 WeakPolarHBondContact OG1-CE 3.47Å; T163-M165 PolarHBondContact OG1-N 3.35Å; T163-Y253 HydrophobicContact CG2-CE2 3.85Å; T163-Y253 VanDerWaalsContact CG2-OH 3.25Å; T163-Y253 WeakPolarHBondContact CG2-OH 3.41Å; T163-F498 HydrophobicContact CG2-CE1 4.2Å
164E95.9Very high94.7Very high117 Ų11735 Ų3555%0.54717%0.173SC..  trans51.529.6-173.9-60.4163.4-139.200111.8L160 S161 N166 K499L160-E164 WeakPolarHBondContact O-CA 3.44Å; L160-E164 PolarHBondContact O-N 2.87Å; S161-E164 WeakPolarHBondContact O-CG 3.44Å; E164-N166 PolarHBondContact O-N 3.14Å; E164-K499 IonicContact OE1-NZ 2.92Å; E164-K499 PolarHBondContact OE1-NZ 2.62Å
165M96.5Very high95.4Very high4 Ų429 Ų292%0.0215%0.145CC..  trans-61.2135.7-176.569.117976.100110.1V119 V145 L147 I159 L160 T163 V168 L187V119-M165 HydrophobicContact CB-CB 4.12Å; V119-M165 HydrophobicContact CG1-CB 3.72Å; V119-M165 HydrophobicContact CG1-CE 4.22Å; V145-M165 HydrophobicContact CB-CE 3.78Å; V145-M165 HydrophobicContact CG1-CE 3.61Å; V145-M165 HydrophobicContact CG2-CE 4.27Å; L147-M165 HydrophobicContact CD1-SD 4.41Å; I159-M165 HydrophobicContact CG2-CE 3.93Å; L160-M165 HydrophobicContact CD2-CG 4.12Å; L160-M165 HydrophobicContact CD2-SD 4.05Å; T163-M165 HydrophobicContact CG2-CE 4.08Å; T163-M165 PolarHBondContact O-N 2.69Å; T163-M165 VanDerWaalsContact O-N 3.09Å; T163-M165 WeakPolarHBondContact OG1-CE 3.47Å; T163-M165 PolarHBondContact OG1-N 3.35Å; M165-V168 HydrophobicContact CG-CG2 4.23Å; M165-V168 HydrophobicContact SD-CG2 3.53Å; M165-V168 VanDerWaalsContact SD-CG2 3.53Å; M165-L187 HydrophobicContact CG-CD2 4.17Å; M165-L187 WeakPolarHBondContact O-CD2 3.39Å
166N95.5Very high96.1Very high18 Ų1828.1 Ų28.110%0.09614%0.138CC..  trans-104.4-7.7-179.970.9-12.1000113.5E164 S186 E188 I189E164-N166 PolarHBondContact O-N 3.14Å; N166-S186 VanDerWaalsContact CA-O 3.31Å; N166-S186 WeakPolarHBondContact CA-O 3.2Å; N166-S186 WeakPolarHBondContact CB-O 3.41Å; N166-E188 HydrophobicContact CB-CB 4.24Å; N166-E188 HydrophobicContact CB-CG 4.19Å; N166-E188 PolarHBondContact ND2-OE2 2.96Å; N166-E188 PolarHBondContact O-N 2.99Å; N166-I189 PolarHBondContact O-N 3.18Å
167C98.4Very high96.6Very high0 Ų028.7 Ų28.70%014%0.141CC..EExtended strand (participates in β ladder)trans-133.5130.4-178.1-177.30000111.3V110 I120 G121 I189V110-C167 HydrophobicContact CG1-CB 4.36Å; V110-C167 HydrophobicContact CG2-CB 4.09Å; I120-C167 WeakPolarHBondContact CA-O 3.21Å; I120-C167 HydrophobicContact CG1-CB 4.31Å; G121-C167 PolarHBondContact N-O 3.22Å; C167-I189 WeakPolarHBondContact CA-O 3.35Å; C167-I189 HydrophobicContact CB-CB 4.11Å
168V98.6Very high96.6Very high0 Ų028.9 Ų28.90%014%0.141CC..EExtended strand (participates in β ladder)trans-133.5131.9175.2177.90000111.8G121 L147 M165 L179 L187 I189 L190 I191G121-V168 CarbonylContact O-C 3.46Å; G121-V168 WeakPolarHBondContact O-CA 3.26Å; L147-V168 HydrophobicContact CD1-CG1 4.49Å; M165-V168 HydrophobicContact CG-CG2 4.23Å; M165-V168 HydrophobicContact SD-CG2 3.53Å; M165-V168 VanDerWaalsContact SD-CG2 3.53Å; V168-L179 HydrophobicContact CB-CD1 4.26Å; V168-L179 HydrophobicContact CG1-CD1 3.75Å; V168-L179 HydrophobicContact CG2-CD1 4.47Å; V168-L187 HydrophobicContact CB-CD2 4.21Å; V168-L187 HydrophobicContact CG2-CD1 4.4Å; V168-L187 HydrophobicContact CG2-CD2 3.38Å; V168-I189 PolarHBondContact N-O 3.2Å; V168-I189 VanDerWaalsContact N-O 3.12Å; V168-L190 HydrophobicContact CB-CD2 4.5Å; V168-I191 PolarHBondContact O-N 2.93Å
169L98.7Very high96.8Very high0 Ų026.8 Ų26.80%013%0.132CC..EExtended strand (participates in β ladder)trans-82.3123.5163.7177.666.1000110.3G121 I122 Y123 M133 I191 I193 F215G121-L169 PolarHBondContact O-N 3.4Å; I122-L169 HydrophobicContact CG1-CB 4.48Å; I122-L169 HydrophobicContact CG2-CB 4.3Å; I122-L169 HydrophobicContact CG2-CD2 3.98Å; I122-L169 HydrophobicContact CG2-CG 4.38Å; Y123-L169 PolarHBondContact N-O 3.44Å; M133-L169 HydrophobicContact CB-CD2 3.51Å; M133-L169 HydrophobicContact CE-CB 4.16Å; M133-L169 HydrophobicContact CE-CD1 4.09Å; M133-L169 HydrophobicContact CE-CD2 4.03Å; M133-L169 HydrophobicContact CE-CG 4.34Å; M133-L169 HydrophobicContact CG-CB 4.37Å; M133-L169 HydrophobicContact CG-CD2 3.61Å; L169-I191 CarbonylContact C-O 3.53Å; L169-I191 WeakPolarHBondContact CA-O 3.29Å; L169-I191 HydrophobicContact CD1-CB 3.96Å; L169-I191 HydrophobicContact CD1-CG2 3.6Å; L169-I193 HydrophobicContact CD1-CD1 4.18Å; L169-I193 HydrophobicContact CD1-CG1 3.74Å; L169-I193 HydrophobicContact CD2-CD1 4.25Å; L169-I193 HydrophobicContact CG-CD1 4.28Å; L169-I193 HydrophobicContact CG-CG1 4.37Å; L169-F215 HydrophobicContact CD1-CD2 3.82Å; L169-F215 HydrophobicContact CD1-CE2 4.46Å
170C98.4Very high96.9Very high0 Ų028.3 Ų28.30%014%0.139CC..EExtended strand (participates in β ladder)trans-112.9144.3178.1-67.50000111.3Y123 E175 A176 I191 I192 I193Y123-C170 WeakPolarHBondContact O-CA 3.45Å; C170-E175 HydrophobicContact CB-CB 3.92Å; C170-A176 HydrophobicContact CB-CB 4.28Å; C170-I191 PolarHBondContact N-O 3.34Å; C170-I192 HydrophobicContact CB-CG1 4.29Å; C170-I192 WeakPolarHBondContact O-CA 3.32Å; C170-I193 PolarHBondContact O-N 2.84Å
171A95.9Very high96.9Very high19 Ų1931.7 Ų31.716%0.15716%0.157CC..SBendtrans-62.4-43.4175.800000112.7Y123 A124 P125 E175 I193 S194Y123-A171 PolarHBondContact O-N 3.34Å; Y123-A171 VanDerWaalsContact O-N 3.13Å; A124-A171 HydrophobicContact CB-CB 3.79Å; P125-A171 VanDerWaalsContact CD-CB 3.49Å; P125-A171 HydrophobicContact CG-CB 4.46Å; A171-E175 HydrophobicContact CB-CG 4.4Å; A171-I193 WeakPolarHBondContact O-CB 3Å; A171-S194 VanDerWaalsContact O-CB 3.32Å; A171-S194 WeakPolarHBondContact O-CB 3.35Å; A171-S194 PolarHBondContact O-N 3.45Å
172S97.4Very high96.8Very high18 Ų1834.9 Ų34.913%0.12616%0.163CC..SBendtrans-148178.7-179.974.50000111R174 E175 A176 I192S172-R174 PolarHBondContact O-N 3.42Å; S172-R174 VanDerWaalsContact OG-CB 3.29Å; S172-R174 WeakPolarHBondContact OG-CB 3.18Å; S172-R174 PolarHBondContact OG-N 2.95Å; S172-R174 VanDerWaalsContact OG-N 3.08Å; S172-E175 WeakPolarHBondContact CA-OE2 3.45Å; S172-E175 WeakPolarHBondContact CB-OE2 2.87Å; S172-E175 PolarHBondContact N-OE2 2.88Å; S172-E175 PolarHBondContact O-N 3.45Å; S172-E175 PolarHBondContact OG-OE2 2.93Å; S172-A176 PolarHBondContact O-N 3.13Å; S172-I192 VanDerWaalsContact C-CG2 3.47Å
173G98Very high96.8Very high0 Ų034.3 Ų34.30%016%0.16CC..Hα-helixtrans-60.2-21.8170.900000113.1A176 L177 V202G173-A176 PolarHBondContact O-N 2.82Å; G173-L177 WeakPolarHBondContact O-CB 3.3Å; G173-L177 VanDerWaalsContact O-CG 3.24Å; G173-L177 WeakPolarHBondContact O-CG 3.23Å; G173-L177 PolarHBondContact O-N 2.99Å; G173-V202 WeakPolarHBondContact O-CG2 3.32Å
174R96.5Very high96.6Very high180 Ų18041.7 Ų41.768%0.67919%0.193SC*.Hα-helixtrans-63.5-48.6177.1-176.3-175.5177.3176.6-1.4112.1S172 A176 L177 H178S172-R174 PolarHBondContact O-N 3.42Å; S172-R174 VanDerWaalsContact OG-CB 3.29Å; S172-R174 WeakPolarHBondContact OG-CB 3.18Å; S172-R174 PolarHBondContact OG-N 2.95Å; S172-R174 VanDerWaalsContact OG-N 3.08Å; R174-A176 VanDerWaalsContact C-N 3.32Å; R174-L177 PolarHBondContact O-N 3.4Å; R174-H178 WeakPolarHBondContact O-CB 3.41Å; R174-H178 PolarHBondContact O-N 3.17Å
175E95.6Very high96.6Very high33 Ų3338.2 Ų38.215%0.15418%0.182CC..Hα-helixtrans-64.7-39.2178.3-73.672.6-14800111Y123 C170 A171 S172 H178 L179Y123-E175 HydrophobicContact CD1-CB 3.51Å; Y123-E175 HydrophobicContact CD1-CG 3.85Å; Y123-E175 HydrophobicContact CE1-CB 3.66Å; Y123-E175 HydrophobicContact CE1-CG 3.77Å; Y123-E175 HydrophobicContact CG-CB 4.3Å; Y123-E175 HydrophobicContact CG-CG 4.33Å; C170-E175 HydrophobicContact CB-CB 3.92Å; A171-E175 HydrophobicContact CB-CG 4.4Å; S172-E175 WeakPolarHBondContact CA-OE2 3.45Å; S172-E175 WeakPolarHBondContact CB-OE2 2.87Å; S172-E175 PolarHBondContact N-OE2 2.88Å; S172-E175 PolarHBondContact O-N 3.45Å; S172-E175 PolarHBondContact OG-OE2 2.93Å; E175-H178 WeakPolarHBondContact O-CB 3.25Å; E175-H178 PolarHBondContact O-N 3.27Å; E175-L179 WeakPolarHBondContact O-CG 3.45Å; E175-L179 PolarHBondContact O-N 3.05Å
176A97.8Very high96.5Very high0 Ų041 Ų410%020%0.202CC..Hα-helixtrans-64.6-47.6175.700000112.6C170 S172 G173 R174 H178 L179 M180 L190 I192 V202C170-A176 HydrophobicContact CB-CB 4.28Å; S172-A176 PolarHBondContact O-N 3.13Å; G173-A176 PolarHBondContact O-N 2.82Å; R174-A176 VanDerWaalsContact C-N 3.32Å; A176-H178 VanDerWaalsContact C-N 3.29Å; A176-H178 PolarHBondContact O-N 3.31Å; A176-L179 PolarHBondContact O-N 3.01Å; A176-M180 WeakPolarHBondContact O-CG 3.42Å; A176-M180 PolarHBondContact O-N 2.87Å; A176-L190 HydrophobicContact CB-CD1 4.15Å; A176-I192 HydrophobicContact CB-CD1 3.78Å; A176-I192 HydrophobicContact CB-CG1 4.24Å; A176-V202 HydrophobicContact CB-CG1 4.12Å; A176-V202 HydrophobicContact CB-CG2 3.8Å
177L97.7Very high96.6Very high13 Ų1340.7 Ų40.77%0.06820%0.2CC..Hα-helixtrans-59.9-41.6173.6-71.5172.5000111.1G173 R174 L179 M180 D181 K198 E201 V202 Y206G173-L177 WeakPolarHBondContact O-CB 3.3Å; G173-L177 VanDerWaalsContact O-CG 3.24Å; G173-L177 WeakPolarHBondContact O-CG 3.23Å; G173-L177 PolarHBondContact O-N 2.99Å; R174-L177 PolarHBondContact O-N 3.4Å; L177-L179 VanDerWaalsContact C-N 3.31Å; L177-L179 PolarHBondContact O-N 2.61Å; L177-M180 PolarHBondContact O-N 2.92Å; L177-D181 WeakPolarHBondContact O-CB 3.33Å; L177-D181 PolarHBondContact O-N 2.85Å; L177-K198 HydrophobicContact CD1-CD 4.1Å; L177-E201 HydrophobicContact CD1-CB 4.42Å; L177-E201 HydrophobicContact CD1-CG 4.2Å; L177-E201 WeakPolarHBondContact CD1-OE1 3.37Å; L177-E201 HydrophobicContact CD2-CG 4.45Å; L177-V202 HydrophobicContact CD1-CG2 4.43Å; L177-V202 HydrophobicContact CD2-CB 4.5Å; L177-V202 HydrophobicContact CD2-CG2 3.74Å; L177-V202 HydrophobicContact CG-CG2 3.58Å; L177-Y206 HydrophobicContact CD2-CD2 4.29Å; L177-Y206 HydrophobicContact CD2-CE2 3.92Å
178H94.4Very high96.5Very high50 Ų5045.3 Ų45.323%0.23122%0.222CC..Hα-helixtrans-57.5-46.5176.4-178.1-147.7000111.2Y123 D153 R174 E175 A176 K182 F183Y123-H178 AromaticContact CE1-ND1 3.85Å; Y123-H178 AromaticContact CZ-ND1 3.84Å; Y123-H178 PolarHBondContact OH-ND1 3.49Å; D153-H178 IonicContact OD1-NE2 3.73Å; R174-H178 WeakPolarHBondContact O-CB 3.41Å; R174-H178 PolarHBondContact O-N 3.17Å; E175-H178 WeakPolarHBondContact O-CB 3.25Å; E175-H178 PolarHBondContact O-N 3.27Å; A176-H178 VanDerWaalsContact C-N 3.29Å; A176-H178 PolarHBondContact O-N 3.31Å; H178-K182 WeakPolarHBondContact O-CB 3.31Å; H178-K182 PolarHBondContact O-N 3.44Å; H178-F183 AromaticContact CD2-CE2 3.99Å; H178-F183 AromaticContact CE1-CE2 3.93Å; H178-F183 AromaticContact NE2-CE2 3.68Å; H178-F183 AromaticContact NE2-CZ 3.72Å
179L96.8Very high96.5Very high0 Ų045.8 Ų45.80%022%0.224CC..Hα-helixtrans-62-48.2178.1-72172.6000112.5Y123 M156 L160 V168 E175 A176 L177 F183 L187Y123-L179 HydrophobicContact CD1-CD1 3.87Å; Y123-L179 HydrophobicContact CD1-CD2 4.26Å; Y123-L179 HydrophobicContact CD1-CG 3.93Å; Y123-L179 HydrophobicContact CE1-CD2 4.48Å; Y123-L179 HydrophobicContact CE1-CG 4.25Å; M156-L179 HydrophobicContact CE-CD2 4.29Å; M156-L179 HydrophobicContact CG-CD2 4.21Å; M156-L179 HydrophobicContact SD-CD2 3.92Å; L160-L179 HydrophobicContact CD1-CD2 4.1Å; L160-L179 HydrophobicContact CD2-CD2 4.5Å; V168-L179 HydrophobicContact CB-CD1 4.26Å; V168-L179 HydrophobicContact CG1-CD1 3.75Å; V168-L179 HydrophobicContact CG2-CD1 4.47Å; E175-L179 WeakPolarHBondContact O-CG 3.45Å; E175-L179 PolarHBondContact O-N 3.05Å; A176-L179 PolarHBondContact O-N 3.01Å; L177-L179 VanDerWaalsContact C-N 3.31Å; L177-L179 PolarHBondContact O-N 2.61Å; L179-F183 HydrophobicContact CD2-CD2 4.25Å; L179-F183 PolarHBondContact O-N 2.94Å; L179-L187 HydrophobicContact CB-CD1 4.23Å; L179-L187 HydrophobicContact CD1-CD1 4.38Å
180M97.2Very high96.5Very high32 Ų3245.8 Ų45.816%0.15822%0.224CC..Hα-helixtrans-77.3-28.6-173.7-62-56.5-64.800114.1A176 L177 L187 L190 Y206 V210A176-M180 WeakPolarHBondContact O-CG 3.42Å; A176-M180 PolarHBondContact O-N 2.87Å; L177-M180 PolarHBondContact O-N 2.92Å; M180-L187 HydrophobicContact SD-CB 4.46Å; M180-L187 HydrophobicContact SD-CD1 4.25Å; M180-L190 HydrophobicContact CG-CD1 3.82Å; M180-L190 HydrophobicContact SD-CD1 4.02Å; M180-Y206 HydrophobicContact CB-CD1 4.21Å; M180-Y206 HydrophobicContact CB-CD2 3.86Å; M180-Y206 HydrophobicContact CB-CE1 4Å; M180-Y206 HydrophobicContact CB-CE2 3.59Å; M180-Y206 HydrophobicContact CB-CG 4.17Å; M180-Y206 HydrophobicContact CE-CD1 4Å; M180-Y206 HydrophobicContact CE-CG 4.32Å; M180-Y206 HydrophobicContact CG-CD2 4.14Å; M180-Y206 HydrophobicContact CG-CE2 4.37Å; M180-Y206 HydrophobicContact CG-CG 4.26Å; M180-V210 HydrophobicContact CE-CG1 3.72Å; M180-V210 HydrophobicContact CE-CG2 4.21Å; M180-V210 HydrophobicContact SD-CG1 4.42Å
181D96.4Very high96.5Very high72 Ų7245.8 Ų45.839%0.38522%0.224SC..Hα-helixtrans-85.7-29.5-176.6-69.57.1000112.6L177 R205 Y206L177-D181 WeakPolarHBondContact O-CB 3.33Å; L177-D181 PolarHBondContact O-N 2.85Å; D181-R205 IonicContact OD1-CZ 2.69Å; D181-R205 IonicContact OD1-NH1 3.66Å; D181-R205 IonicContact OD1-NH2 2.7Å; D181-R205 PolarHBondContact OD1-NH2 3.08Å; D181-R205 IonicContact OD2-CZ 3.35Å; D181-R205 IonicContact OD2-NH1 3.42Å; D181-R205 PolarHBondContact OD2-NH1 3.13Å; D181-R205 VanDerWaalsContact OD2-NH1 3.16Å; D181-R205 IonicContact OD2-NH2 2.6Å; D181-R205 PolarHBondContact OD2-NH2 2.65Å; D181-Y206 VanDerWaalsContact OD1-CE2 3.32Å; D181-Y206 WeakPolarHBondContact OD1-CE2 3.42Å; D181-Y206 VanDerWaalsContact OD1-CZ 3.24Å; D181-Y206 PolarHBondContact OD1-OH 2.77Å
182K94.1Very high96.6Very high135 Ų13544.9 Ų44.959%0.58722%0.217SC*.Hα-helixtrans-108.1-21.6-168.5-66.5-63.2-168.9167.90114.9H178H178-K182 WeakPolarHBondContact O-CB 3.31Å; H178-K182 PolarHBondContact O-N 3.44Å
183F96Very high96.7Very high18 Ų1846 Ų468%0.07922%0.221CC..  trans-127.5142.4-169.3-51-65.9000112.4D153 M156 Q157 L160 H178 L179D153-F183 HydrophobicContact CB-CE1 3.78Å; D153-F183 HydrophobicContact CB-CZ 4.14Å; D153-F183 VanDerWaalsContact O-CE1 3.24Å; D153-F183 WeakPolarHBondContact O-CE1 3.48Å; M156-F183 HydrophobicContact CB-CD1 4.42Å; M156-F183 HydrophobicContact CB-CE1 3.87Å; M156-F183 HydrophobicContact CB-CE2 4.1Å; M156-F183 HydrophobicContact CB-CZ 3.69Å; M156-F183 HydrophobicContact CG-CD1 4.34Å; M156-F183 HydrophobicContact CG-CD2 3.81Å; M156-F183 HydrophobicContact CG-CE1 4.08Å; M156-F183 HydrophobicContact CG-CE2 3.52Å; M156-F183 HydrophobicContact CG-CG 4.22Å; M156-F183 HydrophobicContact CG-CZ 3.67Å; Q157-F183 HydrophobicContact CB-CD1 3.93Å; Q157-F183 VanDerWaalsContact OE1-CA 3.22Å; Q157-F183 VanDerWaalsContact OE1-CB 3.31Å; L160-F183 HydrophobicContact CD1-CB 3.57Å; L160-F183 HydrophobicContact CD1-CD2 4.07Å; L160-F183 HydrophobicContact CD1-CG 3.88Å; H178-F183 AromaticContact CD2-CE2 3.99Å; H178-F183 AromaticContact CE1-CE2 3.93Å; H178-F183 AromaticContact NE2-CE2 3.68Å; H178-F183 AromaticContact NE2-CZ 3.72Å; L179-F183 HydrophobicContact CD2-CD2 4.25Å; L179-F183 PolarHBondContact O-N 2.94Å
184E94Very high96.6Very high166 Ų16648 Ų4878%0.77624%0.235SC*.  trans-79.9127.5164.7-66.1-177.2175.100108.3Q157Q157-E184 PolarHBondContact NE2-O 2.76Å
185S93.9Very high96.6Very high44 Ų4444.7 Ų44.731%0.30823%0.231SC..  trans-152.1163.2-175.865.70000112.3L187S185-L187 PolarHBondContact O-N 3.33Å; S185-L187 WeakPolarHBondContact OG-CD1 3.32Å; S185-L187 VanDerWaalsContact OG-CG 3.31Å; S185-L187 WeakPolarHBondContact OG-CG 3.32Å
186S95.1Very high96.4Very high62 Ų6245.4 Ų45.443%0.43424%0.236SC..  trans-87.819.6173.3-550000112.5N166 E188N166-S186 VanDerWaalsContact CA-O 3.31Å; N166-S186 WeakPolarHBondContact CA-O 3.2Å; N166-S186 WeakPolarHBondContact CB-O 3.41Å; S186-E188 PolarHBondContact O-N 3.12Å
187L97.3Very high96.3Very high13 Ų1350 Ų507%0.06827%0.268CS..  trans-65125-177.4-66176.4000110.8M165 V168 L179 M180 S185 L190 V210M165-L187 HydrophobicContact CG-CD2 4.17Å; M165-L187 WeakPolarHBondContact O-CD2 3.39Å; V168-L187 HydrophobicContact CB-CD2 4.21Å; V168-L187 HydrophobicContact CG2-CD1 4.4Å; V168-L187 HydrophobicContact CG2-CD2 3.38Å; L179-L187 HydrophobicContact CB-CD1 4.23Å; L179-L187 HydrophobicContact CD1-CD1 4.38Å; M180-L187 HydrophobicContact SD-CB 4.46Å; M180-L187 HydrophobicContact SD-CD1 4.25Å; S185-L187 PolarHBondContact O-N 3.33Å; S185-L187 WeakPolarHBondContact OG-CD1 3.32Å; S185-L187 VanDerWaalsContact OG-CG 3.31Å; S185-L187 WeakPolarHBondContact OG-CG 3.32Å; L187-L190 HydrophobicContact CD1-CD2 4.24Å; L187-V210 WeakPolarHBondContact O-CG1 3.37Å
188E97.3Very high96.3Very high97 Ų9753.6 Ų53.645%0.45328%0.283SS..  trans-114.6-23.1175.7-67.2167.7168.600110.8N166 S186 V210 S211N166-E188 HydrophobicContact CB-CB 4.24Å; N166-E188 HydrophobicContact CB-CG 4.19Å; N166-E188 PolarHBondContact ND2-OE2 2.96Å; N166-E188 PolarHBondContact O-N 2.99Å; S186-E188 PolarHBondContact O-N 3.12Å; E188-V210 CarbonylContact O-C 3.43Å; E188-V210 WeakPolarHBondContact O-CA 3.29Å; E188-V210 WeakPolarHBondContact O-CB 3.38Å; E188-S211 PolarHBondContact O-N 3.38Å
189I98.4Very high96.5Very high9 Ų951.3 Ų51.35%0.04627%0.272CS..EExtended strand (participates in β ladder)trans-135.6126.8-172.4-55.3167.4000110.4V109 V110 N166 C167 V168 I191 S211 Y213V109-I189 WeakPolarHBondContact O-CD1 3.45Å; V110-I189 HydrophobicContact CB-CD1 4.31Å; V110-I189 HydrophobicContact CG2-CD1 3.85Å; N166-I189 PolarHBondContact O-N 3.18Å; C167-I189 WeakPolarHBondContact CA-O 3.35Å; C167-I189 HydrophobicContact CB-CB 4.11Å; V168-I189 PolarHBondContact N-O 3.2Å; V168-I189 VanDerWaalsContact N-O 3.12Å; I189-I191 HydrophobicContact CG2-CG1 4.25Å; I189-S211 CarbonylContact C-O 3.56Å; I189-S211 WeakPolarHBondContact CA-O 3.5Å; I189-Y213 HydrophobicContact CG2-CD2 4.08Å; I189-Y213 HydrophobicContact CG2-CE2 4.19Å
190L98.5Very high96.5Very high0 Ų056.3 Ų56.30%030%0.296CS..EExtended strand (participates in β ladder)trans-115.8126.4170.2-65175000109.6V168 A176 M180 L187 V202 V210 S211 I212 Y213V168-L190 HydrophobicContact CB-CD2 4.5Å; A176-L190 HydrophobicContact CB-CD1 4.15Å; M180-L190 HydrophobicContact CG-CD1 3.82Å; M180-L190 HydrophobicContact SD-CD1 4.02Å; L187-L190 HydrophobicContact CD1-CD2 4.24Å; L190-V202 HydrophobicContact CD1-CG1 4.12Å; L190-V210 HydrophobicContact CD1-CG2 3.79Å; L190-V210 HydrophobicContact CG-CG2 4.15Å; L190-S211 PolarHBondContact N-O 2.78Å; L190-I212 HydrophobicContact CB-CG1 4.34Å; L190-I212 HydrophobicContact CD1-CG1 4.48Å; L190-I212 WeakPolarHBondContact O-CA 3.44Å; L190-Y213 PolarHBondContact O-N 3.06Å
191I98.6Very high96.5Very high0 Ų057.6 Ų57.60%030%0.301CS..EExtended strand (participates in β ladder)trans-109.9125.1172.5-56.1160.9000107.1L106 M133 V168 L169 C170 I189 Y213 F215 L218L106-I191 HydrophobicContact CD2-CD1 3.85Å; M133-I191 HydrophobicContact CE-CD1 3.73Å; M133-I191 HydrophobicContact CE-CG2 4.32Å; V168-I191 PolarHBondContact O-N 2.93Å; L169-I191 CarbonylContact C-O 3.53Å; L169-I191 WeakPolarHBondContact CA-O 3.29Å; L169-I191 HydrophobicContact CD1-CB 3.96Å; L169-I191 HydrophobicContact CD1-CG2 3.6Å; C170-I191 PolarHBondContact N-O 3.34Å; I189-I191 HydrophobicContact CG2-CG1 4.25Å; I191-Y213 CarbonylContact C-O 3.51Å; I191-Y213 WeakPolarHBondContact CA-O 3.38Å; I191-F215 HydrophobicContact CG2-CB 4.34Å; I191-F215 HydrophobicContact CG2-CD2 4.2Å; I191-L218 HydrophobicContact CD1-CD2 3.55Å; I191-L218 HydrophobicContact CG1-CD2 4Å; I191-L218 HydrophobicContact CG2-CD2 3.93Å
192I98.6Very high96.6Very high0 Ų054.1 Ų54.10%028%0.283CS..EExtended strand (participates in β ladder)trans-120.5129.5-173.4-59.8173.4000109.9C170 S172 A176 S194 F199 V202 I212 Y213 L214 F215C170-I192 HydrophobicContact CB-CG1 4.29Å; C170-I192 WeakPolarHBondContact O-CA 3.32Å; S172-I192 VanDerWaalsContact C-CG2 3.47Å; A176-I192 HydrophobicContact CB-CD1 3.78Å; A176-I192 HydrophobicContact CB-CG1 4.24Å; I192-S194 WeakPolarHBondContact CG2-O 3.49Å; I192-F199 HydrophobicContact CB-CD2 4Å; I192-F199 HydrophobicContact CB-CE2 4.42Å; I192-F199 HydrophobicContact CD1-CD2 3.79Å; I192-F199 HydrophobicContact CD1-CE2 4.31Å; I192-F199 HydrophobicContact CG1-CD2 4.45Å; I192-F199 HydrophobicContact CG2-CD2 4.08Å; I192-V202 HydrophobicContact CD1-CB 4.3Å; I192-V202 HydrophobicContact CD1-CG1 4.11Å; I192-V202 HydrophobicContact CD1-CG2 4.33Å; I192-I212 HydrophobicContact CD1-CG2 3.97Å; I192-Y213 PolarHBondContact N-O 3.43Å; I192-L214 CarbonylContact O-C 3.58Å; I192-L214 WeakPolarHBondContact O-CA 3.47Å; I192-F215 PolarHBondContact O-N 3.34Å
193I98.1Very high96.8Very high41 Ų4150.4 Ų50.421%0.2127%0.267CS..SBendtrans-76.3-53.4-178.9-60.5165.4000111.4A124 E129 L169 C170 A171 F215A124-I193 HydrophobicContact CB-CD1 4.33Å; E129-I193 HydrophobicContact CB-CD1 3.72Å; E129-I193 HydrophobicContact CB-CG1 4.04Å; E129-I193 HydrophobicContact CB-CG2 4.29Å; E129-I193 HydrophobicContact CG-CD1 4.49Å; E129-I193 HydrophobicContact CG-CG1 4.49Å; E129-I193 HydrophobicContact CG-CG2 3.87Å; L169-I193 HydrophobicContact CD1-CD1 4.18Å; L169-I193 HydrophobicContact CD1-CG1 3.74Å; L169-I193 HydrophobicContact CD2-CD1 4.25Å; L169-I193 HydrophobicContact CG-CD1 4.28Å; L169-I193 HydrophobicContact CG-CG1 4.37Å; C170-I193 PolarHBondContact O-N 2.84Å; A171-I193 WeakPolarHBondContact O-CB 3Å; I193-F215 HydrophobicContact CG1-CB 4.29Å; I193-F215 HydrophobicContact CG1-CD2 4.49Å; I193-F215 HydrophobicContact CG1-CG 4.46Å
194S96.1Very high96.9Very high44 Ų4454.7 Ų54.731%0.30830%0.299SS..  trans-78.2126.1-176.4-174.70000112A171 I192 D196A171-S194 VanDerWaalsContact O-CB 3.32Å; A171-S194 WeakPolarHBondContact O-CB 3.35Å; A171-S194 PolarHBondContact O-N 3.45Å; I192-S194 WeakPolarHBondContact CG2-O 3.49Å; S194-D196 WeakPolarHBondContact CB-OD2 3.4Å; S194-D196 PolarHBondContact O-N 3.46Å; S194-D196 PolarHBondContact OG-OD2 3.14Å
195N95.9Very high97Very high109 Ų10951.6 Ų51.658%0.58328%0.28SS*.  trans-93.385.3168.8-173.913.5000109.6L214N195-L214 HydrophobicContact CB-CD1 4.06Å; N195-L214 HydrophobicContact CB-CD2 3.88Å
196D93Very high97.2Very high49 Ų4950.6 Ų50.626%0.26227%0.27SS..SBendtrans-128.1-177.8-178.560.239.7000112S194 K198 F199S194-D196 WeakPolarHBondContact CB-OD2 3.4Å; S194-D196 PolarHBondContact O-N 3.46Å; S194-D196 PolarHBondContact OG-OD2 3.14Å; D196-K198 PolarHBondContact O-N 3.06Å; D196-K198 VanDerWaalsContact O-N 3.14Å; D196-K198 WeakPolarHBondContact OD1-CA 3.5Å; D196-K198 VanDerWaalsContact OD1-CB 3.3Å; D196-K198 WeakPolarHBondContact OD1-CB 3.35Å; D196-K198 PolarHBondContact OD1-N 3.34Å; D196-F199 WeakPolarHBondContact O-CB 3.45Å; D196-F199 PolarHBondContact O-N 3.14Å; D196-F199 PolarHBondContact OD1-N 2.86Å
197S95.6Very high97.3Very high96 Ų9650.9 Ų50.967%0.67127%0.272SS*.Hα-helixtrans-59.9-25.5179.459.30000113.7E201S197-E201 PolarHBondContact O-N 3.49Å
198K97.5Very high97.3Very high88 Ų8855.6 Ų55.638%0.38331%0.306SS..Hα-helixtrans-77.4-30.2177.5-66.3-54.4-164.1-177.30111.6L177 D196 E200 E201 V202L177-K198 HydrophobicContact CD1-CD 4.1Å; D196-K198 PolarHBondContact O-N 3.06Å; D196-K198 VanDerWaalsContact O-N 3.14Å; D196-K198 WeakPolarHBondContact OD1-CA 3.5Å; D196-K198 VanDerWaalsContact OD1-CB 3.3Å; D196-K198 WeakPolarHBondContact OD1-CB 3.35Å; D196-K198 PolarHBondContact OD1-N 3.34Å; K198-E200 VanDerWaalsContact C-N 3.34Å; K198-E201 VanDerWaalsContact CD-OE2 3.26Å; K198-E201 WeakPolarHBondContact CD-OE2 3.44Å; K198-E201 IonicContact NZ-OE2 3.93Å; K198-E201 PolarHBondContact NZ-OE2 2.91Å; K198-E201 WeakPolarHBondContact O-CB 3.29Å; K198-E201 PolarHBondContact O-N 3.34Å; K198-V202 WeakPolarHBondContact O-CG2 3.28Å; K198-V202 PolarHBondContact O-N 3.41Å
199F97.5Very high97.2Very high2 Ų258.4 Ų58.41%0.00932%0.316CS..Hα-helixtrans-57.9-47170.8169.7-101.9000111.8I192 D196 E201 V202 K203 I212 L214I192-F199 HydrophobicContact CB-CD2 4Å; I192-F199 HydrophobicContact CB-CE2 4.42Å; I192-F199 HydrophobicContact CD1-CD2 3.79Å; I192-F199 HydrophobicContact CD1-CE2 4.31Å; I192-F199 HydrophobicContact CG1-CD2 4.45Å; I192-F199 HydrophobicContact CG2-CD2 4.08Å; D196-F199 WeakPolarHBondContact O-CB 3.45Å; D196-F199 PolarHBondContact O-N 3.14Å; D196-F199 PolarHBondContact OD1-N 2.86Å; F199-E201 VanDerWaalsContact C-N 3.31Å; F199-E201 PolarHBondContact O-N 2.97Å; F199-V202 PolarHBondContact O-N 3.01Å; F199-K203 HydrophobicContact CE1-CD 3.72Å; F199-K203 HydrophobicContact CE1-CG 4.45Å; F199-K203 HydrophobicContact CE2-CD 4.4Å; F199-K203 HydrophobicContact CE2-CG 4.48Å; F199-K203 HydrophobicContact CZ-CD 3.63Å; F199-K203 HydrophobicContact CZ-CG 4.18Å; F199-K203 VanDerWaalsContact CZ-NZ 3.27Å; F199-K203 PolarHBondContact O-N 3.32Å; F199-I212 HydrophobicContact CE2-CG2 3.84Å; F199-L214 HydrophobicContact CD1-CD2 4.05Å; F199-L214 HydrophobicContact CD1-CG 4.48Å; F199-L214 HydrophobicContact CD2-CD2 3.51Å; F199-L214 HydrophobicContact CD2-CG 4.23Å; F199-L214 HydrophobicContact CE1-CD1 3.94Å; F199-L214 HydrophobicContact CE1-CD2 3.92Å; F199-L214 HydrophobicContact CE1-CG 3.85Å; F199-L214 HydrophobicContact CE2-CD2 3.37Å; F199-L214 HydrophobicContact CE2-CG 3.56Å; F199-L214 HydrophobicContact CG-CD2 3.85Å; F199-L214 HydrophobicContact CZ-CD1 3.89Å; F199-L214 HydrophobicContact CZ-CD2 3.56Å; F199-L214 HydrophobicContact CZ-CG 3.33Å
200E97.5Very high97.2Very high106 Ų10658.3 Ų58.350%0.49532%0.316SS..Hα-helixtrans-63-37176.7-65.4-57.3148.300112.2K198 K203 S204K198-E200 VanDerWaalsContact C-N 3.34Å; E200-K203 PolarHBondContact O-N 3.38Å; E200-S204 WeakPolarHBondContact O-CB 3.43Å; E200-S204 PolarHBondContact O-N 3.4Å
201E98.1Very high97.1Very high58 Ų5861.1 Ų61.127%0.27134%0.336SS..Hα-helixtrans-61.7-43.9174.2-168.6-172.9150.500112L177 S197 K198 F199 S204 R205L177-E201 HydrophobicContact CD1-CB 4.42Å; L177-E201 HydrophobicContact CD1-CG 4.2Å; L177-E201 WeakPolarHBondContact CD1-OE1 3.37Å; L177-E201 HydrophobicContact CD2-CG 4.45Å; S197-E201 PolarHBondContact O-N 3.49Å; K198-E201 VanDerWaalsContact CD-OE2 3.26Å; K198-E201 WeakPolarHBondContact CD-OE2 3.44Å; K198-E201 IonicContact NZ-OE2 3.93Å; K198-E201 PolarHBondContact NZ-OE2 2.91Å; K198-E201 WeakPolarHBondContact O-CB 3.29Å; K198-E201 PolarHBondContact O-N 3.34Å; F199-E201 VanDerWaalsContact C-N 3.31Å; F199-E201 PolarHBondContact O-N 2.97Å; E201-S204 PolarHBondContact O-N 2.91Å; E201-R205 HydrophobicContact CG-CG 4.5Å; E201-R205 WeakPolarHBondContact O-CB 3.15Å; E201-R205 WeakPolarHBondContact O-CG 3.47Å; E201-R205 PolarHBondContact O-N 3.02Å; E201-R205 IonicContact OE1-NH1 3.39Å; E201-R205 PolarHBondContact OE1-NH1 3.35Å
202V98Very high97.1Very high0 Ų062 Ų620%034%0.34CS..Hα-helixtrans-61.1-46.6176.21800000110.5G173 A176 L177 L190 I192 K198 F199 S204 R205 Y206 I212G173-V202 WeakPolarHBondContact O-CG2 3.32Å; A176-V202 HydrophobicContact CB-CG1 4.12Å; A176-V202 HydrophobicContact CB-CG2 3.8Å; L177-V202 HydrophobicContact CD1-CG2 4.43Å; L177-V202 HydrophobicContact CD2-CB 4.5Å; L177-V202 HydrophobicContact CD2-CG2 3.74Å; L177-V202 HydrophobicContact CG-CG2 3.58Å; L190-V202 HydrophobicContact CD1-CG1 4.12Å; I192-V202 HydrophobicContact CD1-CB 4.3Å; I192-V202 HydrophobicContact CD1-CG1 4.11Å; I192-V202 HydrophobicContact CD1-CG2 4.33Å; K198-V202 WeakPolarHBondContact O-CG2 3.28Å; K198-V202 PolarHBondContact O-N 3.41Å; F199-V202 PolarHBondContact O-N 3.01Å; V202-S204 PolarHBondContact O-N 3.24Å; V202-R205 PolarHBondContact O-N 3.09Å; V202-Y206 HydrophobicContact CG1-CD2 4.46Å; V202-Y206 WeakPolarHBondContact O-CB 3.38Å; V202-Y206 PolarHBondContact O-N 3.25Å; V202-I212 HydrophobicContact CG1-CD1 3.76Å; V202-I212 HydrophobicContact CG1-CG1 4.31Å
203K97.5Very high97.1Very high56 Ų5665 Ų6524%0.24335%0.352CS..Hα-helixtrans-58.2-47.3176-85.4-171.8165.6171.50111.8F199 E200 R205 S207 I212 E217F199-K203 HydrophobicContact CE1-CD 3.72Å; F199-K203 HydrophobicContact CE1-CG 4.45Å; F199-K203 HydrophobicContact CE2-CD 4.4Å; F199-K203 HydrophobicContact CE2-CG 4.48Å; F199-K203 HydrophobicContact CZ-CD 3.63Å; F199-K203 HydrophobicContact CZ-CG 4.18Å; F199-K203 VanDerWaalsContact CZ-NZ 3.27Å; F199-K203 PolarHBondContact O-N 3.32Å; E200-K203 PolarHBondContact O-N 3.38Å; K203-R205 VanDerWaalsContact C-N 3.28Å; K203-R205 PolarHBondContact O-N 2.95Å; K203-S207 WeakPolarHBondContact CA-OG 3.24Å; K203-S207 WeakPolarHBondContact O-CB 3.48Å; K203-S207 PolarHBondContact O-N 3.34Å; K203-S207 PolarHBondContact O-OG 2.79Å; K203-I212 HydrophobicContact CG-CB 4.32Å; K203-I212 HydrophobicContact CG-CD1 4.29Å; K203-I212 HydrophobicContact CG-CG2 4.03Å; K203-E217 IonicContact NZ-OE1 3.16Å
204S97.6Very high97.1Very high108 Ų10863.9 Ų63.976%0.75535%0.346SS*.Hα-helixtrans-62.4-35179.8-176.70000113E200 E201 V202E200-S204 WeakPolarHBondContact O-CB 3.43Å; E200-S204 PolarHBondContact O-N 3.4Å; E201-S204 PolarHBondContact O-N 2.91Å; V202-S204 PolarHBondContact O-N 3.24Å
205R98Very high97.2Very high101 Ų10162.1 Ų62.138%0.38133%0.333SS..Hα-helixtrans-90.8-32.3-173.8-68.7174.165.2-173.9-7.8113.6D181 E201 V202 K203D181-R205 IonicContact OD1-CZ 2.69Å; D181-R205 IonicContact OD1-NH1 3.66Å; D181-R205 IonicContact OD1-NH2 2.7Å; D181-R205 PolarHBondContact OD1-NH2 3.08Å; D181-R205 IonicContact OD2-CZ 3.35Å; D181-R205 IonicContact OD2-NH1 3.42Å; D181-R205 PolarHBondContact OD2-NH1 3.13Å; D181-R205 VanDerWaalsContact OD2-NH1 3.16Å; D181-R205 IonicContact OD2-NH2 2.6Å; D181-R205 PolarHBondContact OD2-NH2 2.65Å; E201-R205 HydrophobicContact CG-CG 4.5Å; E201-R205 WeakPolarHBondContact O-CB 3.15Å; E201-R205 WeakPolarHBondContact O-CG 3.47Å; E201-R205 PolarHBondContact O-N 3.02Å; E201-R205 IonicContact OE1-NH1 3.39Å; E201-R205 PolarHBondContact OE1-NH1 3.35Å; V202-R205 PolarHBondContact O-N 3.09Å; K203-R205 VanDerWaalsContact C-N 3.28Å; K203-R205 PolarHBondContact O-N 2.95Å
206Y97.9Very high97.3Very high24 Ų2461.6 Ų61.69%0.09433%0.327CS..Hα-helixtrans-128.3-4.9-163.6-65.1-62.8000116L177 M180 D181 V202 S208 K209 V210L177-Y206 HydrophobicContact CD2-CD2 4.29Å; L177-Y206 HydrophobicContact CD2-CE2 3.92Å; M180-Y206 HydrophobicContact CB-CD1 4.21Å; M180-Y206 HydrophobicContact CB-CD2 3.86Å; M180-Y206 HydrophobicContact CB-CE1 4Å; M180-Y206 HydrophobicContact CB-CE2 3.59Å; M180-Y206 HydrophobicContact CB-CG 4.17Å; M180-Y206 HydrophobicContact CE-CD1 4Å; M180-Y206 HydrophobicContact CE-CG 4.32Å; M180-Y206 HydrophobicContact CG-CD2 4.14Å; M180-Y206 HydrophobicContact CG-CE2 4.37Å; M180-Y206 HydrophobicContact CG-CG 4.26Å; D181-Y206 VanDerWaalsContact OD1-CE2 3.32Å; D181-Y206 WeakPolarHBondContact OD1-CE2 3.42Å; D181-Y206 VanDerWaalsContact OD1-CZ 3.24Å; D181-Y206 PolarHBondContact OD1-OH 2.77Å; V202-Y206 HydrophobicContact CG1-CD2 4.46Å; V202-Y206 WeakPolarHBondContact O-CB 3.38Å; V202-Y206 PolarHBondContact O-N 3.25Å; Y206-S208 PolarHBondContact O-N 3.44Å; Y206-K209 HydrophobicContact CD1-CD 4.31Å; Y206-K209 PolarHBondContact O-N 3.14Å; Y206-V210 PolarHBondContact O-N 2.93Å
207S96.8Very high97.6Very high67 Ų6763 Ų6347%0.46933%0.332SS..THydrogen-bonded Turntrans-59.2-18.8177.8-72.90000114.9K203K203-S207 WeakPolarHBondContact CA-OG 3.24Å; K203-S207 WeakPolarHBondContact O-CB 3.48Å; K203-S207 PolarHBondContact O-N 3.34Å; K203-S207 PolarHBondContact O-OG 2.79Å
208S96.5Very high97.6Very high113 Ų11358.4 Ų58.479%0.7930%0.3SS*.THydrogen-bonded Turntrans-82.1-15.3174.457.90000113.9Y206Y206-S208 PolarHBondContact O-N 3.44Å
209K95.7Very high97.6Very high155 Ų15554.8 Ų54.867%0.67429%0.285SS*.THydrogen-bonded Turntrans-108.4-37.5-177.9-65.1-174.2-179.61800112.4Y206Y206-K209 HydrophobicContact CD1-CD 4.31Å; Y206-K209 PolarHBondContact O-N 3.14Å
210V97.7Very high97.6Very high7 Ų760.2 Ų60.24%0.04231%0.308CS..SBendtrans-135.8148.9-175.2-58.90000111.1M180 L187 E188 L190 Y206 I212M180-V210 HydrophobicContact CE-CG1 3.72Å; M180-V210 HydrophobicContact CE-CG2 4.21Å; M180-V210 HydrophobicContact SD-CG1 4.42Å; L187-V210 WeakPolarHBondContact O-CG1 3.37Å; E188-V210 CarbonylContact O-C 3.43Å; E188-V210 WeakPolarHBondContact O-CA 3.29Å; E188-V210 WeakPolarHBondContact O-CB 3.38Å; L190-V210 HydrophobicContact CD1-CG2 3.79Å; L190-V210 HydrophobicContact CG-CG2 4.15Å; Y206-V210 PolarHBondContact O-N 2.93Å; V210-I212 HydrophobicContact CG2-CD1 4.24Å; V210-I212 HydrophobicContact CG2-CG1 3.94Å
211S98.1Very high97.6Very high59 Ų5957.4 Ų57.441%0.41330%0.297SS..EExtended strand (participates in β ladder)trans-76.3126.5171.6-64.10000109.9E188 I189 L190E188-S211 PolarHBondContact O-N 3.38Å; I189-S211 CarbonylContact C-O 3.56Å; I189-S211 WeakPolarHBondContact CA-O 3.5Å; L190-S211 PolarHBondContact N-O 2.78Å
212I98.3Very high97.4Very high18 Ų1854.7 Ų54.79%0.09228%0.284CS..EExtended strand (participates in β ladder)trans-118.8121-175.4-59.6157.7000109.8L190 I192 F199 V202 K203 V210L190-I212 HydrophobicContact CB-CG1 4.34Å; L190-I212 HydrophobicContact CD1-CG1 4.48Å; L190-I212 WeakPolarHBondContact O-CA 3.44Å; I192-I212 HydrophobicContact CD1-CG2 3.97Å; F199-I212 HydrophobicContact CE2-CG2 3.84Å; V202-I212 HydrophobicContact CG1-CD1 3.76Å; V202-I212 HydrophobicContact CG1-CG1 4.31Å; K203-I212 HydrophobicContact CG-CB 4.32Å; K203-I212 HydrophobicContact CG-CD1 4.29Å; K203-I212 HydrophobicContact CG-CG2 4.03Å; V210-I212 HydrophobicContact CG2-CD1 4.24Å; V210-I212 HydrophobicContact CG2-CG1 3.94Å
213Y98.2Very high97.2Very high65 Ų6558.5 Ų58.526%0.25530%0.303SS..EExtended strand (participates in β ladder)trans-120139.2179-61.8-85.9000110.8V109 I189 L190 I191 I192V109-Y213 HydrophobicContact CB-CE2 4.33Å; V109-Y213 HydrophobicContact CG1-CE1 4.45Å; V109-Y213 HydrophobicContact CG1-CE2 4.39Å; I189-Y213 HydrophobicContact CG2-CD2 4.08Å; I189-Y213 HydrophobicContact CG2-CE2 4.19Å; L190-Y213 PolarHBondContact O-N 3.06Å; I191-Y213 CarbonylContact C-O 3.51Å; I191-Y213 WeakPolarHBondContact CA-O 3.38Å; I192-Y213 PolarHBondContact N-O 3.43Å
214L98.4Very high97Very high16 Ų1660.8 Ų60.88%0.08432%0.318CS..EExtended strand (participates in β ladder)trans-69.7146.2156.8-70.8169.4000109.6I192 N195 F199 E216 E217 L218I192-L214 CarbonylContact O-C 3.58Å; I192-L214 WeakPolarHBondContact O-CA 3.47Å; N195-L214 HydrophobicContact CB-CD1 4.06Å; N195-L214 HydrophobicContact CB-CD2 3.88Å; F199-L214 HydrophobicContact CD1-CD2 4.05Å; F199-L214 HydrophobicContact CD1-CG 4.48Å; F199-L214 HydrophobicContact CD2-CD2 3.51Å; F199-L214 HydrophobicContact CD2-CG 4.23Å; F199-L214 HydrophobicContact CE1-CD1 3.94Å; F199-L214 HydrophobicContact CE1-CD2 3.92Å; F199-L214 HydrophobicContact CE1-CG 3.85Å; F199-L214 HydrophobicContact CE2-CD2 3.37Å; F199-L214 HydrophobicContact CE2-CG 3.56Å; F199-L214 HydrophobicContact CG-CD2 3.85Å; F199-L214 HydrophobicContact CZ-CD1 3.89Å; F199-L214 HydrophobicContact CZ-CD2 3.56Å; F199-L214 HydrophobicContact CZ-CG 3.33Å; L214-E216 PolarHBondContact O-N 3.04Å; L214-E217 HydrophobicContact CB-CB 4.16Å; L214-E217 HydrophobicContact CB-CG 3.87Å; L214-E217 HydrophobicContact CD1-CG 4.42Å; L214-E217 PolarHBondContact N-OE2 2.98Å; L214-E217 WeakPolarHBondContact O-CB 3.44Å; L214-E217 PolarHBondContact O-N 2.75Å; L214-L218 PolarHBondContact O-N 2.83Å
215F98.4Very high96.5Very high7 Ų757 Ų573%0.03129%0.288CS..Hα-helixtrans-55.5-38.3174.1-172.9-92.8000111.6I102 E129 I132 M133 L169 I191 I192 I193 L218 M219I102-F215 HydrophobicContact CD1-CD1 4.45Å; I102-F215 HydrophobicContact CD1-CD2 4.08Å; I102-F215 HydrophobicContact CD1-CE1 4.05Å; I102-F215 HydrophobicContact CD1-CE2 3.65Å; I102-F215 HydrophobicContact CD1-CG 4.47Å; I102-F215 HydrophobicContact CD1-CZ 3.64Å; I102-F215 HydrophobicContact CG1-CE1 4.4Å; I102-F215 HydrophobicContact CG1-CE2 4.09Å; I102-F215 HydrophobicContact CG1-CZ 3.78Å; E129-F215 HydrophobicContact CB-CD1 4.31Å; E129-F215 HydrophobicContact CB-CE1 3.99Å; E129-F215 HydrophobicContact CB-CE2 4.21Å; E129-F215 HydrophobicContact CB-CZ 3.93Å; E129-F215 HydrophobicContact CG-CD1 3.98Å; E129-F215 HydrophobicContact CG-CE1 3.83Å; E129-F215 HydrophobicContact CG-CZ 4.3Å; I132-F215 HydrophobicContact CB-CZ 4.29Å; I132-F215 HydrophobicContact CG2-CZ 3.94Å; M133-F215 HydrophobicContact CB-CE2 4.41Å; M133-F215 HydrophobicContact CE-CD2 4.32Å; M133-F215 HydrophobicContact CE-CE2 4.07Å; L169-F215 HydrophobicContact CD1-CD2 3.82Å; L169-F215 HydrophobicContact CD1-CE2 4.46Å; I191-F215 HydrophobicContact CG2-CB 4.34Å; I191-F215 HydrophobicContact CG2-CD2 4.2Å; I192-F215 PolarHBondContact O-N 3.34Å; I193-F215 HydrophobicContact CG1-CB 4.29Å; I193-F215 HydrophobicContact CG1-CD2 4.49Å; I193-F215 HydrophobicContact CG1-CG 4.46Å; F215-L218 PolarHBondContact O-N 3.24Å; F215-M219 HydrophobicContact CD1-CE 3.84Å; F215-M219 HydrophobicContact CD1-CG 4.19Å; F215-M219 HydrophobicContact CD1-SD 4.06Å; F215-M219 HydrophobicContact CE1-CE 3.94Å; F215-M219 HydrophobicContact CE1-CG 3.97Å; F215-M219 HydrophobicContact CE1-SD 3.57Å; F215-M219 VanDerWaalsContact CE1-SD 3.57Å; F215-M219 HydrophobicContact CZ-SD 4.49Å; F215-M219 WeakPolarHBondContact O-CG 3.32Å; F215-M219 PolarHBondContact O-N 2.74Å
216E97.8Very high96Very high98 Ų9853.3 Ų53.346%0.45828%0.276SS..Hα-helixtrans-66.8-38174.9-173.763.3-150.400113.1L214 L218 M219 K220L214-E216 PolarHBondContact O-N 3.04Å; E216-L218 VanDerWaalsContact C-N 3.33Å; E216-M219 HydrophobicContact CB-CE 4.48Å; E216-M219 PolarHBondContact O-N 2.88Å; E216-M219 WeakPolarHBondContact OE2-CE 3.47Å; E216-K220 WeakPolarHBondContact O-CG 3.22Å; E216-K220 PolarHBondContact O-N 3.07Å; E216-K220 WeakPolarHBondContact OE1-CE 3.41Å
217E97.8Very high95.5Very high78 Ų7857 Ų5736%0.36430%0.297SS..Hα-helixtrans-64.4-42.2174.3-71.3169.3166.700110.3K203 L214 K220 L221K203-E217 IonicContact NZ-OE1 3.16Å; L214-E217 HydrophobicContact CB-CB 4.16Å; L214-E217 HydrophobicContact CB-CG 3.87Å; L214-E217 HydrophobicContact CD1-CG 4.42Å; L214-E217 PolarHBondContact N-OE2 2.98Å; L214-E217 WeakPolarHBondContact O-CB 3.44Å; L214-E217 PolarHBondContact O-N 2.75Å; E217-K220 PolarHBondContact O-N 2.77Å; E217-L221 WeakPolarHBondContact O-CB 3.15Å; E217-L221 PolarHBondContact O-N 3.4Å
218L96.9Very high95.1Very high0 Ų058.1 Ų58.10%030%0.297CS..Hα-helixtrans-63.9-42.7177-165.671.3000111.6I102 A105 L106 V109 M133 I191 L214 F215 E216 K220 L221 G222I102-L218 HydrophobicContact CD1-CB 4.32Å; I102-L218 HydrophobicContact CD1-CD2 4.04Å; I102-L218 HydrophobicContact CD1-CG 4.25Å; A105-L218 HydrophobicContact CB-CD1 3.56Å; A105-L218 HydrophobicContact CB-CG 3.61Å; A105-L218 WeakPolarHBondContact CB-O 3.49Å; L106-L218 HydrophobicContact CD2-CD2 4.26Å; V109-L218 HydrophobicContact CG1-CD1 4.38Å; V109-L218 HydrophobicContact CG2-CD1 3.95Å; M133-L218 HydrophobicContact CE-CD2 4.36Å; I191-L218 HydrophobicContact CD1-CD2 3.55Å; I191-L218 HydrophobicContact CG1-CD2 4Å; I191-L218 HydrophobicContact CG2-CD2 3.93Å; L214-L218 PolarHBondContact O-N 2.83Å; F215-L218 PolarHBondContact O-N 3.24Å; E216-L218 VanDerWaalsContact C-N 3.33Å; L218-K220 PolarHBondContact O-N 2.87Å; L218-L221 PolarHBondContact O-N 3.18Å; L218-G222 PolarHBondContact O-N 2.81Å
219M97.2Very high94.3Very high13 Ų1353.2 Ų53.26%0.06426%0.261CS..Hα-helixtrans-59-46.9173.3-74.3-165.7-62.400111.9R98 I102 F215 E216 L221 G222 M223R98-M219 HydrophobicContact CB-SD 4.3Å; R98-M219 HydrophobicContact CG-SD 3.93Å; I102-M219 HydrophobicContact CD1-CB 4.35Å; I102-M219 HydrophobicContact CD1-CG 3.33Å; I102-M219 HydrophobicContact CG1-CG 3.79Å; F215-M219 HydrophobicContact CD1-CE 3.84Å; F215-M219 HydrophobicContact CD1-CG 4.19Å; F215-M219 HydrophobicContact CD1-SD 4.06Å; F215-M219 HydrophobicContact CE1-CE 3.94Å; F215-M219 HydrophobicContact CE1-CG 3.97Å; F215-M219 HydrophobicContact CE1-SD 3.57Å; F215-M219 VanDerWaalsContact CE1-SD 3.57Å; F215-M219 HydrophobicContact CZ-SD 4.49Å; F215-M219 WeakPolarHBondContact O-CG 3.32Å; F215-M219 PolarHBondContact O-N 2.74Å; E216-M219 HydrophobicContact CB-CE 4.48Å; E216-M219 PolarHBondContact O-N 2.88Å; E216-M219 WeakPolarHBondContact OE2-CE 3.47Å; M219-L221 PolarHBondContact O-N 3.32Å; M219-G222 PolarHBondContact O-N 3.24Å; M219-M223 WeakPolarHBondContact O-CG 3.47Å; M219-M223 PolarHBondContact O-N 2.83Å
220K97.7Very high93.8Very high115 Ų11553.2 Ų53.250%0.526%0.261SS..Hα-helixtrans-62.7-42.5178.4-72.6172.1-176.6171.80112.2E216 E217 L218 G222 M223 N224E216-K220 WeakPolarHBondContact O-CG 3.22Å; E216-K220 PolarHBondContact O-N 3.07Å; E216-K220 WeakPolarHBondContact OE1-CE 3.41Å; E217-K220 PolarHBondContact O-N 2.77Å; L218-K220 PolarHBondContact O-N 2.87Å; K220-G222 VanDerWaalsContact C-N 3.3Å; K220-G222 PolarHBondContact O-N 2.99Å; K220-M223 PolarHBondContact O-N 2.91Å; K220-N224 VanDerWaalsContact O-CG 3.3Å; K220-N224 PolarHBondContact O-N 3.23Å; K220-N224 PolarHBondContact O-ND2 2.86Å
221L96.3Very high93.3Very high48 Ų4861.7 Ų61.725%0.25130%0.297SS..Hα-helixtrans-56.4-47.3174.817965.4000110.8A105 K108 V109 E217 L218 M219 N224 E225A105-L221 HydrophobicContact CB-CB 4.47Å; A105-L221 HydrophobicContact CB-CD2 4.4Å; K108-L221 HydrophobicContact CD-CD1 4.26Å; K108-L221 HydrophobicContact CD-CD2 4.44Å; K108-L221 HydrophobicContact CD-CG 4.41Å; V109-L221 HydrophobicContact CG1-CD2 3.59Å; E217-L221 WeakPolarHBondContact O-CB 3.15Å; E217-L221 PolarHBondContact O-N 3.4Å; L218-L221 PolarHBondContact O-N 3.18Å; M219-L221 PolarHBondContact O-N 3.32Å; L221-N224 PolarHBondContact O-N 2.93Å; L221-E225 WeakPolarHBondContact O-CB 3.41Å; L221-E225 PolarHBondContact O-N 3.49Å
222G94.6Very high92.7Very high0 Ų064.6 Ų64.60%031%0.308CS..Hα-helixtrans-64.3-41.5177.800000114.2A101 L218 M219 K220 E225 L226A101-G222 WeakPolarHBondContact O-CA 3.47Å; L218-G222 PolarHBondContact O-N 2.81Å; M219-G222 PolarHBondContact O-N 3.24Å; K220-G222 VanDerWaalsContact C-N 3.3Å; K220-G222 PolarHBondContact O-N 2.99Å; G222-E225 WeakPolarHBondContact O-CB 3.42Å; G222-E225 PolarHBondContact O-N 3.47Å; G222-L226 WeakPolarHBondContact O-CG 3.3Å; G222-L226 PolarHBondContact O-N 3.13Å
223M93.6Very high91.8Very high80 Ų8066.4 Ų66.439%0.39433%0.331SS..Hα-helixtrans-62.7-44.2175.3-72.3175-176.700111.8A101 M219 K220 E225 L226 L227A101-M223 HydrophobicContact CB-CE 4.29Å; A101-M223 HydrophobicContact CB-CG 3.77Å; M219-M223 WeakPolarHBondContact O-CG 3.47Å; M219-M223 PolarHBondContact O-N 2.83Å; K220-M223 PolarHBondContact O-N 2.91Å; M223-E225 VanDerWaalsContact C-N 3.28Å; M223-E225 PolarHBondContact O-N 2.89Å; M223-L226 PolarHBondContact O-N 3.01Å; M223-L227 WeakPolarHBondContact O-CG 3.27Å; M223-L227 PolarHBondContact O-N 3.22Å
224N93.2Very high90.5Very high105 Ų10568 Ų6856%0.56134%0.342SS*.Hα-helixtrans-61.6-40176.4-72.1-22.2000111.6K220 L221 L227 L228K220-N224 VanDerWaalsContact O-CG 3.3Å; K220-N224 PolarHBondContact O-N 3.23Å; K220-N224 PolarHBondContact O-ND2 2.86Å; L221-N224 PolarHBondContact O-N 2.93Å; N224-L227 PolarHBondContact O-N 3.07Å; N224-L228 WeakPolarHBondContact O-CB 3.46Å; N224-L228 PolarHBondContact O-N 2.88Å
225E87.4Confident88.5Confident27 Ų2774.3 Ų74.313%0.12638%0.376CS..Hα-helixtrans-64.2-43.4176.9-174.360.1-141.200112K108 L221 G222 M223 L228 K229K108-E225 IonicContact NZ-OE2 2.84Å; K108-E225 PolarHBondContact NZ-OE2 2.92Å; L221-E225 WeakPolarHBondContact O-CB 3.41Å; L221-E225 PolarHBondContact O-N 3.49Å; G222-E225 WeakPolarHBondContact O-CB 3.42Å; G222-E225 PolarHBondContact O-N 3.47Å; M223-E225 VanDerWaalsContact C-N 3.28Å; M223-E225 PolarHBondContact O-N 2.89Å; E225-L228 PolarHBondContact O-N 2.85Å; E225-K229 VanDerWaalsContact CG-NZ 3.26Å; E225-K229 WeakPolarHBondContact O-CG 3.48Å; E225-K229 PolarHBondContact O-N 3.31Å; E225-K229 VanDerWaalsContact O-N 3.09Å; E225-K229 WeakPolarHBondContact OE1-CE 3.18Å; E225-K229 IonicContact OE1-NZ 2.67Å; E225-K229 PolarHBondContact OE1-NZ 3.06Å
226L86.8Confident86.3Confident25 Ų2581.7 Ų81.713%0.13141%0.411CS..Hα-helixtrans-63.1-42.8174.2-71.1166.6000112R100 S104 G222 M223 K229 K230 L237R100-L226 HydrophobicContact CB-CD1 3.98Å; S104-L226 WeakPolarHBondContact OG-CD2 3.4Å; G222-L226 WeakPolarHBondContact O-CG 3.3Å; G222-L226 PolarHBondContact O-N 3.13Å; M223-L226 PolarHBondContact O-N 3.01Å; L226-K229 PolarHBondContact O-N 3.18Å; L226-K230 WeakPolarHBondContact O-CB 3.39Å; L226-K230 PolarHBondContact O-N 3.3Å; L226-L237 HydrophobicContact CD2-CB 4.04Å; L226-L237 HydrophobicContact CD2-CD2 3.69Å; L226-L237 HydrophobicContact CD2-CG 4.44Å
227L88.8Confident84.1Confident101 Ų10180.1 Ų80.153%0.52941%0.405SS..Hα-helixtrans-64.4-42177.6-73.3172.5000112M223 N224 K230 K231M223-L227 WeakPolarHBondContact O-CG 3.27Å; M223-L227 PolarHBondContact O-N 3.22Å; N224-L227 PolarHBondContact O-N 3.07Å; L227-K230 PolarHBondContact O-N 3.33Å; L227-K231 WeakPolarHBondContact O-CG 3.44Å; L227-K231 PolarHBondContact O-N 3.41Å
228L86.6Confident82Confident91 Ų9179 Ų7948%0.47640%0.401SS..Hα-helixtrans-60.7-47.7176.7-17963.1000110.8N224 E225 K230 K231 L232N224-L228 WeakPolarHBondContact O-CB 3.46Å; N224-L228 PolarHBondContact O-N 2.88Å; E225-L228 PolarHBondContact O-N 2.85Å; L228-K230 PolarHBondContact O-N 3.43Å; L228-K231 WeakPolarHBondContact O-CB 3.37Å; L228-K231 PolarHBondContact O-N 3.2Å; L228-L232 HydrophobicContact CG-CD1 4.28Å; L228-L232 WeakPolarHBondContact O-CG 3.46Å; L228-L232 PolarHBondContact O-N 2.87Å
229K80.8Confident79.7Confident9 Ų982.9 Ų82.94%0.03942%0.421CS..Hα-helixtrans-61.6-43.3177.5-75.5-169.3-178.397.50113.4E225 L226 K231 L232 G233 M234 L239E225-K229 VanDerWaalsContact CG-NZ 3.26Å; E225-K229 WeakPolarHBondContact O-CG 3.48Å; E225-K229 PolarHBondContact O-N 3.31Å; E225-K229 VanDerWaalsContact O-N 3.09Å; E225-K229 WeakPolarHBondContact OE1-CE 3.18Å; E225-K229 IonicContact OE1-NZ 2.67Å; E225-K229 PolarHBondContact OE1-NZ 3.06Å; L226-K229 PolarHBondContact O-N 3.18Å; K229-K231 VanDerWaalsContact C-N 3.27Å; K229-K231 PolarHBondContact O-N 2.93Å; K229-L232 CarbonylContact O-C 3.52Å; K229-L232 WeakPolarHBondContact O-CA 3.35Å; K229-L232 PolarHBondContact O-N 3.3Å; K229-G233 PolarHBondContact O-N 3.06Å; K229-M234 HydrophobicContact CB-CB 4.18Å; K229-M234 HydrophobicContact CG-SD 4.29Å; K229-M234 PolarHBondContact O-N 3.49Å; K229-L239 VanDerWaalsContact CE-CG 3.46Å
230K84.2Confident78.1Confident155 Ų15583.9 Ų83.967%0.67443%0.425SS*.Hα-helixtrans-60-39.2175.6-172.4175.7-179.8178.60111.5L226 L227 L228 L232 G233L226-K230 WeakPolarHBondContact O-CB 3.39Å; L226-K230 PolarHBondContact O-N 3.3Å; L227-K230 PolarHBondContact O-N 3.33Å; L228-K230 PolarHBondContact O-N 3.43Å; K230-L232 VanDerWaalsContact C-N 3.31Å; K230-G233 PolarHBondContact O-N 2.78Å
231K87.3Confident76.7Confident185 Ų18585.5 Ų85.580%0.80443%0.432SS*.Hα-helixtrans-65.6-32.9173.7-73.7177.4178.5-178.50112.8L227 L228 K229 G233L227-K231 WeakPolarHBondContact O-CG 3.44Å; L227-K231 PolarHBondContact O-N 3.41Å; L228-K231 WeakPolarHBondContact O-CB 3.37Å; L228-K231 PolarHBondContact O-N 3.2Å; K229-K231 VanDerWaalsContact C-N 3.27Å; K229-K231 PolarHBondContact O-N 2.93Å; K231-G233 PolarHBondContact O-N 3.25Å
232L86.2Confident76.2Confident121 Ų12185.3 Ų85.363%0.63444%0.435SS*.THydrogen-bonded Turntrans-79.31.9175.8-65.4172.1000113.6L228 K229 K230 M234L228-L232 HydrophobicContact CG-CD1 4.28Å; L228-L232 WeakPolarHBondContact O-CG 3.46Å; L228-L232 PolarHBondContact O-N 2.87Å; K229-L232 CarbonylContact O-C 3.52Å; K229-L232 WeakPolarHBondContact O-CA 3.35Å; K229-L232 PolarHBondContact O-N 3.3Å; K230-L232 VanDerWaalsContact C-N 3.31Å; L232-M234 VanDerWaalsContact C-N 3.25Å; L232-M234 HydrophobicContact CB-CG 4.31Å; L232-M234 PolarHBondContact O-N 3.49Å
233G78.7Confident76.1Confident56 Ų5685.7 Ų85.758%0.57744%0.438SS*.THydrogen-bonded Turntrans74.112.3-178.600000114.4K229 K230 K231 N235K229-G233 PolarHBondContact O-N 3.06Å; K230-G233 PolarHBondContact O-N 2.78Å; K231-G233 PolarHBondContact O-N 3.25Å; G233-N235 PolarHBondContact O-N 3.28Å
234M72.3Confident76.2Confident97 Ų9785.2 Ų85.248%0.47844%0.436SS..  trans-79.9101175.3-61.2-178.575.500109.1K229 L232K229-M234 HydrophobicContact CB-CB 4.18Å; K229-M234 HydrophobicContact CG-SD 4.29Å; K229-M234 PolarHBondContact O-N 3.49Å; L232-M234 VanDerWaalsContact C-N 3.25Å; L232-M234 HydrophobicContact CB-CG 4.31Å; L232-M234 PolarHBondContact O-N 3.49Å
235N55.8Low76.4Confident150 Ų15081.7 Ų81.780%0.80242%0.419SS*.  trans-76.6-21.2178.6-78.9-25.6000113.4G233 L237G233-N235 PolarHBondContact O-N 3.28Å; N235-L237 VanDerWaalsContact C-N 3.31Å; N235-L237 PolarHBondContact O-N 3.07Å
236E53.3Low76.8Confident162 Ų16285.4 Ų85.476%0.75744%0.444SS*.  trans-75.787.4173.3-70.6-174171.300109.1L238E236-L238 PolarHBondContact O-N 3.28Å; E236-L238 VanDerWaalsContact O-N 3.08Å
237L51.3Low77.2Confident65 Ų6586.8 Ų86.834%0.3445%0.451SS..  trans-64.7-4.6176.2-66.3162.7000113Y140 L226 N235Y140-L237 PolarHBondContact OH-O 3.08Å; L226-L237 HydrophobicContact CD2-CB 4.04Å; L226-L237 HydrophobicContact CD2-CD2 3.69Å; L226-L237 HydrophobicContact CD2-CG 4.44Å; N235-L237 VanDerWaalsContact C-N 3.31Å; N235-L237 PolarHBondContact O-N 3.07Å
238L52.8Low77.6Confident54 Ų5483.4 Ų83.428%0.28343%0.434SS..  trans-99.2109.7172.5-59.8173.4000107.8Y140 E236 K240Y140-L238 HydrophobicContact CD2-CD2 4.29Å; Y140-L238 HydrophobicContact CE1-CD2 4.07Å; Y140-L238 HydrophobicContact CE2-CD2 3.66Å; E236-L238 PolarHBondContact O-N 3.28Å; E236-L238 VanDerWaalsContact O-N 3.08Å; L238-K240 PolarHBondContact O-N 3.14Å
239L49.6Very low78.2Confident81 Ų8179.1 Ų79.142%0.42441%0.411SS..SBendtrans-57.7-7.6170.4-92.7165.3000113.8S107 K229S107-L239 WeakPolarHBondContact OG-CD1 3.43Å; K229-L239 VanDerWaalsContact CE-CG 3.46Å
240K62.1Low79Confident35 Ų3578.7 Ų78.715%0.15241%0.409CS..SBendtrans-149.3149.2-162.1-168.3169.6163.9-155.80111.1F112 Y140 S141 L238 S242F112-K240 HydrophobicContact CD2-CD 4.42Å; F112-K240 HydrophobicContact CG-CD 4.32Å; F112-K240 VanDerWaalsContact CG-CE 3.44Å; Y140-K240 WeakPolarHBondContact O-CD 3.48Å; Y140-K240 VanDerWaalsContact O-CE 3.29Å; Y140-K240 WeakPolarHBondContact O-CE 3.39Å; Y140-K240 PolarHBondContact O-NZ 3.33Å; S141-K240 PolarHBondContact O-NZ 2.86Å; L238-K240 PolarHBondContact O-N 3.14Å; K240-S242 PolarHBondContact O-N 2.88Å
241K70.2Confident79.7Confident149 Ų14971.3 Ų71.365%0.64838%0.377SS*.PPolyproline II helixtrans-52122.4176.4-171-178.3177.2-174.10109.5S141S141-K241 PolarHBondContact OG-O 3.17Å
242S85.3Confident80.1Confident44 Ų4462.6 Ų62.631%0.30834%0.34SS..PPolyproline II helixtrans-46.8144.6170.2-175.70000110.1K240 L244K240-S242 PolarHBondContact O-N 2.88Å; S242-L244 PolarHBondContact O-N 3.24Å
243P93.2Very high80.3Confident8 Ų857.5 Ų57.55%0.05231%0.312CS..PPolyproline II helixtrans-56.5140179.726.7-40.2000111.1T59 K61 A138 S141T59-P243 HydrophobicContact CG2-CB 4.39Å; T59-P243 HydrophobicContact CG2-CG 4.14Å; K61-P243 HydrophobicContact CB-CG 4.17Å; K61-P243 HydrophobicContact CD-CG 4.38Å; A138-P243 VanDerWaalsContact O-CG 3.24Å; A138-P243 WeakPolarHBondContact O-CG 3.49Å; S141-P243 WeakPolarHBondContact OG-CA 3.48Å
244L94.6Very high80.5Confident69 Ų6955.7 Ų55.736%0.36129%0.29SS..PPolyproline II helixtrans-79.6154.4163.2-59.9176000109.5S242 T246 D247S242-L244 PolarHBondContact O-N 3.24Å; L244-T246 PolarHBondContact O-N 3.41Å; L244-T246 VanDerWaalsContact O-N 3.13Å; L244-D247 PolarHBondContact N-OD2 3.48Å; L244-D247 WeakPolarHBondContact O-CB 3.36Å; L244-D247 PolarHBondContact O-N 3.46Å; L244-D247 VanDerWaalsContact O-N 3.08Å
245P96.8Very high80.1Confident31 Ų3152.9 Ų52.920%0.20128%0.28CS..THydrogen-bonded Turntrans-57.2-28.4174-25.235.1000113.3Q58 T59 K269Q58-P245 HydrophobicContact CB-CB 4.08Å; Q58-P245 HydrophobicContact CB-CG 3.64Å; T59-P245 HydrophobicContact CG2-CG 4.42Å; P245-K269 HydrophobicContact CB-CB 3.93Å; P245-K269 WeakPolarHBondContact O-CB 3.46Å; P245-K269 PolarHBondContact O-N 3.04Å
246T96.1Very high79.9Confident106 Ų10646.8 Ų46.865%0.6525%0.252SS*.THydrogen-bonded Turntrans-84.1-12-179.548.50000114.2L244L244-T246 PolarHBondContact O-N 3.41Å; L244-T246 VanDerWaalsContact O-N 3.13Å
247D95.7Very high79.7Confident54 Ų5442.5 Ų42.529%0.28924%0.24SC..SBendtrans-68.7149.8-179.7-63.5-14000110.1L244 Y249 S267 H268L244-D247 PolarHBondContact N-OD2 3.48Å; L244-D247 WeakPolarHBondContact O-CB 3.36Å; L244-D247 PolarHBondContact O-N 3.46Å; L244-D247 VanDerWaalsContact O-N 3.08Å; D247-Y249 PolarHBondContact O-N 2.88Å; D247-S267 VanDerWaalsContact O-CA 3.25Å; D247-S267 WeakPolarHBondContact O-CA 3.26Å; D247-S267 WeakPolarHBondContact O-CB 3.37Å; D247-H268 PolarHBondContact O-CD2 3.17Å; D247-H268 PolarHBondContact O-N 3.34Å
248L97.3Very high79.6Confident30 Ų3043.6 Ų43.616%0.15725%0.249CC..EExtended strand (participates in β ladder)trans-67.9124.8174.5-71.6-170.3000110.6E117 T143 I251 L265E117-L248 HydrophobicContact CB-CD1 4.39Å; E117-L248 HydrophobicContact CG-CD1 3.98Å; E117-L248 VanDerWaalsContact OE2-CD1 3.24Å; E117-L248 WeakPolarHBondContact OE2-CD1 3.37Å; T143-L248 HydrophobicContact CG2-CB 3.92Å; T143-L248 VanDerWaalsContact OG1-CB 3.28Å; T143-L248 WeakPolarHBondContact OG1-CB 3.37Å; T143-L248 PolarHBondContact OG1-O 2.72Å; L248-I251 HydrophobicContact CD1-CG1 4.4Å; L248-L265 HydrophobicContact CD1-CD2 3.79Å; L248-L265 HydrophobicContact CD2-CB 4.15Å; L248-L265 HydrophobicContact CD2-CD2 4.1Å
249Y98Very high79.9Confident0 Ų043.5 Ų43.50%026%0.262CS..EExtended strand (participates in β ladder)trans-91.4-45.7173.3163.3-115.4000110.9V60 Q134 A138 I144 D247 I266 I271V60-Y249 HydrophobicContact CB-CD2 4.06Å; V60-Y249 HydrophobicContact CB-CE2 4Å; V60-Y249 HydrophobicContact CG1-CD2 4.39Å; V60-Y249 HydrophobicContact CG1-CE2 3.83Å; V60-Y249 HydrophobicContact CG2-CD1 3.91Å; V60-Y249 HydrophobicContact CG2-CD2 3.75Å; V60-Y249 HydrophobicContact CG2-CE1 3.95Å; V60-Y249 HydrophobicContact CG2-CE2 3.82Å; V60-Y249 HydrophobicContact CG2-CG 3.8Å; Q134-Y249 VanDerWaalsContact CD-OH 3.31Å; Q134-Y249 HydrophobicContact CG-CE2 4.38Å; Q134-Y249 WeakPolarHBondContact CG-OH 3.3Å; Q134-Y249 PolarHBondContact NE2-OH 2.77Å; A138-Y249 HydrophobicContact CB-CD2 4.02Å; A138-Y249 HydrophobicContact CB-CE2 3.91Å; I144-Y249 HydrophobicContact CD1-CE2 4.37Å; I144-Y249 HydrophobicContact CG1-CE2 4.42Å; I144-Y249 WeakPolarHBondContact CG1-O 3.38Å; I144-Y249 PolarHBondContact N-O 3.42Å; D247-Y249 PolarHBondContact O-N 2.88Å; Y249-I266 WeakPolarHBondContact CA-O 3.39Å; Y249-I266 WeakPolarHBondContact CB-O 3.24Å; Y249-I266 PolarHBondContact N-O 3.4Å; Y249-I271 HydrophobicContact CD1-CD1 3.9Å; Y249-I271 HydrophobicContact CD1-CG2 3.87Å; Y249-I271 HydrophobicContact CE1-CD1 3.54Å; Y249-I271 HydrophobicContact CE1-CG2 4.35Å; Y249-I271 HydrophobicContact CG-CG2 4.49Å
250M98.6Very high81.3Confident0 Ų044 Ų440%026%0.264CS..EExtended strand (participates in β ladder)trans-147.5142.5-173.1178.7-173.5-66.300111.4I144 P146 I266 Q305I144-M250 HydrophobicContact CD1-CE 3.52Å; I144-M250 HydrophobicContact CG1-CB 3.98Å; I144-M250 HydrophobicContact CG1-CE 4.06Å; I144-M250 HydrophobicContact CG1-CG 4.08Å; I144-M250 VanDerWaalsContact O-CA 3.3Å; I144-M250 WeakPolarHBondContact O-CA 3.44Å; P146-M250 HydrophobicContact CG-CE 3.96Å; P146-M250 HydrophobicContact CG-CG 4.13Å; P146-M250 HydrophobicContact CG-SD 3.96Å; M250-I266 HydrophobicContact CB-CB 4.24Å; M250-I266 PolarHBondContact N-O 2.91Å; M250-I266 WeakPolarHBondContact O-CA 3.27Å; M250-I266 WeakPolarHBondContact O-CB 3.47Å; M250-I266 PolarHBondContact O-N 3.01Å; M250-I266 HydrophobicContact SD-CD1 4.13Å; M250-Q305 HydrophobicContact CE-CG 3.73Å; M250-Q305 HydrophobicContact SD-CG 4.3Å
251I98.4Very high82.4Confident0 Ų042.6 Ų42.60%026%0.259CS..EExtended strand (participates in β ladder)trans-107.8107.9161.9-58.4164.2000107V119 T143 I144 V145 L248 Y253 V264 L265 F498V119-I251 HydrophobicContact CG2-CD1 4.07Å; T143-I251 HydrophobicContact CG2-CD1 4.11Å; T143-I251 HydrophobicContact CG2-CG1 3.87Å; I144-I251 PolarHBondContact O-N 3.2Å; V145-I251 HydrophobicContact CG2-CB 3.86Å; V145-I251 HydrophobicContact CG2-CD1 4.4Å; L248-I251 HydrophobicContact CD1-CG1 4.4Å; I251-Y253 HydrophobicContact CG2-CD2 4.2Å; I251-Y253 HydrophobicContact CG2-CE2 3.7Å; I251-V264 WeakPolarHBondContact CA-O 3.23Å; I251-L265 HydrophobicContact CG1-CD2 4.22Å; I251-F498 HydrophobicContact CD1-CB 4.49Å; I251-F498 HydrophobicContact CD1-CD1 4.12Å; I251-F498 HydrophobicContact CD1-CD2 3.82Å; I251-F498 HydrophobicContact CD1-CE1 4.27Å; I251-F498 HydrophobicContact CD1-CE2 4Å; I251-F498 HydrophobicContact CD1-CG 3.88Å; I251-F498 HydrophobicContact CD1-CZ 4.2Å; I251-F498 HydrophobicContact CG2-CB 3.93Å; I251-F498 HydrophobicContact CG2-CD1 4.47Å; I251-F498 HydrophobicContact CG2-CG 4.29Å
252S96Very high83.4Confident3 Ų338 Ų382%0.02124%0.239CC..EExtended strand (participates in β ladder)trans-99.7108.8-175.5-174.20000110.5T254 V264S252-T254 PolarHBondContact O-N 3.01Å; S252-V264 PolarHBondContact N-O 2.79Å; S252-V264 WeakPolarHBondContact O-CB 3.39Å; S252-V264 PolarHBondContact O-N 3.48Å
253Y91Very high83.9Confident13 Ų1336 Ų365%0.05123%0.225CC..EExtended strand (participates in β ladder)trans-76.3122.7-179.8-79.9-88.9000112.3V145 I159 Q162 T163 I251 P261 K262 G263V145-Y253 HydrophobicContact CG1-CD2 4Å; V145-Y253 HydrophobicContact CG1-CE2 4.01Å; V145-Y253 HydrophobicContact CG2-CE2 4.49Å; I159-Y253 HydrophobicContact CB-CE2 4.33Å; I159-Y253 HydrophobicContact CD1-CD1 4.1Å; I159-Y253 HydrophobicContact CD1-CD2 4.09Å; I159-Y253 HydrophobicContact CD1-CG 3.77Å; I159-Y253 HydrophobicContact CG1-CD1 3.65Å; I159-Y253 HydrophobicContact CG1-CD2 3.91Å; I159-Y253 HydrophobicContact CG1-CE1 3.74Å; I159-Y253 HydrophobicContact CG1-CE2 4.03Å; I159-Y253 HydrophobicContact CG1-CG 3.71Å; I159-Y253 HydrophobicContact CG2-CD2 3.94Å; I159-Y253 HydrophobicContact CG2-CE2 3.62Å; Q162-Y253 PolarHBondContact OE1-OH 3.45Å; T163-Y253 HydrophobicContact CG2-CE2 3.85Å; T163-Y253 VanDerWaalsContact CG2-OH 3.25Å; T163-Y253 WeakPolarHBondContact CG2-OH 3.41Å; I251-Y253 HydrophobicContact CG2-CD2 4.2Å; I251-Y253 HydrophobicContact CG2-CE2 3.7Å; Y253-P261 HydrophobicContact CD1-CB 3.86Å; Y253-P261 HydrophobicContact CG-CB 4.47Å; Y253-K262 WeakPolarHBondContact CA-O 3.39Å; Y253-G263 VanDerWaalsContact CD1-N 3.32Å
254T81.5Confident84.1Confident19 Ų1935.6 Ų35.612%0.11722%0.222CC..EExtended strand (participates in β ladder)trans-97.8138.917466.50000110.7S252 G256 P261 K262 V264 T438S252-T254 PolarHBondContact O-N 3.01Å; T254-G256 PolarHBondContact O-N 3.14Å; T254-P261 CarbonylContact O-C 3.58Å; T254-P261 WeakPolarHBondContact O-CA 3.29Å; T254-P261 WeakPolarHBondContact O-CB 3.46Å; T254-K262 PolarHBondContact N-O 3.29Å; T254-K262 PolarHBondContact O-N 2.83Å; T254-K262 VanDerWaalsContact O-N 3.13Å; T254-V264 HydrophobicContact CG2-CG2 3.81Å; T254-T438 VanDerWaalsContact CG2-CB 3.44Å; T254-T438 HydrophobicContact CG2-CG2 3.71Å
255S65.4Low84.3Confident38 Ų3833.9 Ų33.927%0.26621%0.213SC..  trans-67.9106.6171.460.50000109.1S257S255-S257 PolarHBondContact O-N 3.37Å
256G51.1Low84.3Confident21 Ų2132.4 Ų32.422%0.21620%0.204CC..  trans-62.7133.2169.800000109.9T254 T258T254-G256 PolarHBondContact O-N 3.14Å; G256-T258 PolarHBondContact O-N 3.27Å
257S48.9Very low84.5Confident72 Ų7227.8 Ų27.850%0.50318%0.176SC..THydrogen-bonded Turntrans-65.2-15174.251.40000112.9S255S255-S257 PolarHBondContact O-N 3.37Å
258T48.4Very low84.6Confident88 Ų8825.2 Ų25.254%0.5416%0.162SC..THydrogen-bonded Turntrans-133.112.7-169.960.20000114.5G256G256-T258 PolarHBondContact O-N 3.27Å
259G60.2Low84.6Confident52 Ų5227.1 Ų27.154%0.53617%0.169SC..SBendtrans178.6-162.7-176.800000114.8
260L78.8Confident84.6Confident91 Ų9127.5 Ų27.548%0.47617%0.171SC..SBendtrans-59.1150175.9-64.4173.3000111.1H158H158-L260 HydrophobicContact CB-CD1 4.3Å; H158-L260 HydrophobicContact CB-CD2 4.04Å
261P84.6Confident84.5Confident7 Ų727.5 Ų27.55%0.04517%0.171CC..  trans-59.7142.7177.4-19.930000112.1A155 H158 Y253 T254A155-P261 HydrophobicContact CB-CG 3.51Å; H158-P261 PolarHBondContact CD2-O 3.47Å; H158-P261 PolarHBondContact NE2-O 2.96Å; Y253-P261 HydrophobicContact CD1-CB 3.86Å; Y253-P261 HydrophobicContact CG-CB 4.47Å; T254-P261 CarbonylContact O-C 3.58Å; T254-P261 WeakPolarHBondContact O-CA 3.29Å; T254-P261 WeakPolarHBondContact O-CB 3.46Å
262K91.3Very high84.5Confident52 Ų5227.5 Ų27.523%0.22617%0.171CC..EExtended strand (participates in β ladder)trans-104.5129.8177.4-59.5171-72.9161.30109.8Y253 T254 V264 Y497 K503Y253-K262 WeakPolarHBondContact CA-O 3.39Å; T254-K262 PolarHBondContact N-O 3.29Å; T254-K262 PolarHBondContact O-N 2.83Å; T254-K262 VanDerWaalsContact O-N 3.13Å; K262-V264 PolarHBondContact O-N 3.02Å; K262-Y497 HydrophobicContact CB-CD1 3.55Å; K262-Y497 HydrophobicContact CB-CE1 3.78Å; K262-Y497 HydrophobicContact CB-CG 4.1Å; K262-Y497 HydrophobicContact CD-CD1 4.29Å; K262-Y497 HydrophobicContact CD-CD2 4.35Å; K262-Y497 HydrophobicContact CD-CE1 4Å; K262-Y497 HydrophobicContact CD-CE2 4.08Å; K262-Y497 HydrophobicContact CD-CG 4.45Å; K262-Y497 HydrophobicContact CG-CD1 4.49Å; K262-Y497 VanDerWaalsContact NZ-CZ 3.29Å; K262-Y497 PolarHBondContact NZ-OH 2.76Å; K262-K503 HydrophobicContact CD-CB 4.39Å; K262-K503 HydrophobicContact CD-CG 4.4Å
263G95.6Very high84.5Confident1 Ų129.2 Ų29.21%0.0118%0.177CC..EExtended strand (participates in β ladder)trans-81.2103.8178.500000111.4Y253 Y497 F498Y253-G263 VanDerWaalsContact CD1-N 3.32Å; G263-Y497 CarbonylContact O-C 3.58Å; G263-Y497 VanDerWaalsContact O-CA 3.26Å; G263-Y497 WeakPolarHBondContact O-CA 3.08Å; G263-F498 WeakPolarHBondContact O-CB 3.48Å; G263-F498 PolarHBondContact O-N 3.07Å
264V97.6Very high84.8Confident0 Ų028.7 Ų28.70%018%0.175CC..EExtended strand (participates in β ladder)trans-72.1127.8175.2178.30000109.6I251 S252 T254 K262 I266 T438 E439 I441 S494 Y497I251-V264 WeakPolarHBondContact CA-O 3.23Å; S252-V264 PolarHBondContact N-O 2.79Å; S252-V264 WeakPolarHBondContact O-CB 3.39Å; S252-V264 PolarHBondContact O-N 3.48Å; T254-V264 HydrophobicContact CG2-CG2 3.81Å; K262-V264 PolarHBondContact O-N 3.02Å; V264-I266 HydrophobicContact CG1-CG1 4.28Å; V264-T438 HydrophobicContact CB-CG2 3.88Å; V264-T438 HydrophobicContact CG1-CG2 4.15Å; V264-T438 HydrophobicContact CG2-CG2 3.83Å; V264-E439 HydrophobicContact CG2-CG 3.98Å; V264-I441 HydrophobicContact CG1-CD1 4.19Å; V264-S494 WeakPolarHBondContact CG1-OG 3.31Å; V264-Y497 HydrophobicContact CG2-CD1 3.94Å; V264-Y497 HydrophobicContact CG2-CE1 3.73Å
265L98.4Very high85.5Confident33 Ų3327.8 Ų27.817%0.17317%0.17CC..EExtended strand (participates in β ladder)trans-76.2125.9176.5-62.7175.2000110.4L248 I251 S494 G496 F498L248-L265 HydrophobicContact CD1-CD2 3.79Å; L248-L265 HydrophobicContact CD2-CB 4.15Å; L248-L265 HydrophobicContact CD2-CD2 4.1Å; I251-L265 HydrophobicContact CG1-CD2 4.22Å; L265-S494 WeakPolarHBondContact O-CB 3.5Å; L265-S494 PolarHBondContact O-OG 3.43Å; L265-G496 PolarHBondContact N-O 3.09Å; L265-F498 HydrophobicContact CD2-CB 3.69Å; L265-F498 HydrophobicContact CD2-CD2 3.89Å; L265-F498 HydrophobicContact CD2-CG 4.23Å; L265-F498 HydrophobicContact CG-CB 4.37Å
266I98.6Very high86.9Confident0 Ų026.1 Ų26.10%016%0.158CC..EExtended strand (participates in β ladder)trans-129.2109.4177.5-45.8-172.8000108.7Y249 M250 V264 I271 I302 I441Y249-I266 WeakPolarHBondContact CA-O 3.39Å; Y249-I266 WeakPolarHBondContact CB-O 3.24Å; Y249-I266 PolarHBondContact N-O 3.4Å; M250-I266 HydrophobicContact CB-CB 4.24Å; M250-I266 PolarHBondContact N-O 2.91Å; M250-I266 WeakPolarHBondContact O-CA 3.27Å; M250-I266 WeakPolarHBondContact O-CB 3.47Å; M250-I266 PolarHBondContact O-N 3.01Å; M250-I266 HydrophobicContact SD-CD1 4.13Å; V264-I266 HydrophobicContact CG1-CG1 4.28Å; I266-I271 HydrophobicContact CG2-CB 3.84Å; I266-I271 HydrophobicContact CG2-CD1 4.37Å; I266-I271 HydrophobicContact CG2-CG1 4.5Å; I266-I302 HydrophobicContact CD1-CD1 3.78Å; I266-I441 HydrophobicContact CB-CD1 4.32Å; I266-I441 HydrophobicContact CD1-CD1 3.93Å; I266-I441 HydrophobicContact CG1-CD1 3.66Å; I266-I441 HydrophobicContact CG2-CD1 4.12Å; I266-I441 HydrophobicContact CG2-CG1 4.47Å; I266-I441 HydrophobicContact CG2-CG2 3.99Å
267S98.4Very high89Confident10 Ų1025.2 Ų25.27%0.0715%0.148CC..EExtended strand (participates in β ladder)trans-78.5163.9171.967.20000112.1D247 K269 E270 I271D247-S267 VanDerWaalsContact O-CA 3.25Å; D247-S267 WeakPolarHBondContact O-CA 3.26Å; D247-S267 WeakPolarHBondContact O-CB 3.37Å; S267-K269 VanDerWaalsContact C-N 3.3Å; S267-K269 PolarHBondContact O-N 3.33Å; S267-E270 WeakPolarHBondContact CB-OE2 3.19Å; S267-E270 PolarHBondContact N-OE2 2.86Å; S267-E270 PolarHBondContact O-N 3.44Å; S267-E270 WeakPolarHBondContact OG-CG 3.49Å; S267-E270 PolarHBondContact OG-N 2.82Å; S267-E270 PolarHBondContact OG-OE2 2.84Å; S267-I271 PolarHBondContact O-N 2.74Å
268H98.2Very high91.1Very high0 Ų023 Ų230%013%0.131CC..Hα-helixtrans-54.5-43.7171.2-83.7-94.3000112.4Q58 T59 V60 A138 D247 T272Q58-H268 CarbonylContact O-C 3.34Å; T59-H268 WeakPolarHBondContact CB-ND1 3.47Å; T59-H268 HydrophobicContact CG2-CB 4.07Å; V60-H268 PolarHBondContact N-ND1 3Å; A138-H268 PolarHBondContact O-CE1 2.89Å; D247-H268 PolarHBondContact O-CD2 3.17Å; D247-H268 PolarHBondContact O-N 3.34Å; H268-T272 WeakPolarHBondContact O-CB 3.18Å; H268-T272 VanDerWaalsContact O-CG2 3.28Å; H268-T272 WeakPolarHBondContact O-CG2 3.49Å; H268-T272 PolarHBondContact O-N 2.69Å; H268-T272 PolarHBondContact O-OG1 3.17Å
269K97.4Very high93.3Very high69 Ų6918.9 Ų18.930%0.311%0.105SC..Hα-helixtrans-63.4-47.7179.8-176.7-175.7174.3-165.70111.3Q58 P245 S267 I271 T272 R273 D491Q58-K269 PolarHBondContact O-N 3.15Å; P245-K269 HydrophobicContact CB-CB 3.93Å; P245-K269 WeakPolarHBondContact O-CB 3.46Å; P245-K269 PolarHBondContact O-N 3.04Å; S267-K269 VanDerWaalsContact C-N 3.3Å; S267-K269 PolarHBondContact O-N 3.33Å; K269-I271 PolarHBondContact O-N 3.39Å; K269-T272 PolarHBondContact O-N 2.91Å; K269-T272 PolarHBondContact O-OG1 3.18Å; K269-R273 HydrophobicContact CG-CG 4.08Å; K269-R273 VanDerWaalsContact O-CB 3.31Å; K269-R273 WeakPolarHBondContact O-CB 3.25Å; K269-R273 WeakPolarHBondContact O-CG 3.44Å; K269-R273 PolarHBondContact O-N 3.32Å; K269-D491 WeakPolarHBondContact CE-OD2 3.27Å; K269-D491 IonicContact NZ-OD2 2.74Å; K269-D491 PolarHBondContact NZ-OD2 2.93Å
270E97.9Very high94.9Very high8 Ų816.4 Ų16.44%0.0378%0.08CC..Hα-helixtrans-62.9-46.5-173.5-75.9147.2177.500112S267 R273 S274 I441 K495S267-E270 WeakPolarHBondContact CB-OE2 3.19Å; S267-E270 PolarHBondContact N-OE2 2.86Å; S267-E270 PolarHBondContact O-N 3.44Å; S267-E270 WeakPolarHBondContact OG-CG 3.49Å; S267-E270 PolarHBondContact OG-N 2.82Å; S267-E270 PolarHBondContact OG-OE2 2.84Å; E270-R273 PolarHBondContact O-N 3.29Å; E270-S274 PolarHBondContact O-N 3.48Å; E270-I441 HydrophobicContact CB-CG1 4.21Å; E270-K495 VanDerWaalsContact OE1-CE 3.31Å; E270-K495 WeakPolarHBondContact OE1-CE 3.44Å; E270-K495 WeakPolarHBondContact OE1-CG 3.34Å
271I97.9Very high95.7Very high0 Ų012.5 Ų12.50%06%0.06CC..Hα-helixtrans-71.1-35.4-179.3-159.6168.5000112.6V60 Y249 I266 S267 K269 S274 A275 I302 M306 L309 I441V60-I271 HydrophobicContact CG2-CG2 3.45Å; V60-I271 VanDerWaalsContact CG2-CG2 3.45Å; Y249-I271 HydrophobicContact CD1-CD1 3.9Å; Y249-I271 HydrophobicContact CD1-CG2 3.87Å; Y249-I271 HydrophobicContact CE1-CD1 3.54Å; Y249-I271 HydrophobicContact CE1-CG2 4.35Å; Y249-I271 HydrophobicContact CG-CG2 4.49Å; I266-I271 HydrophobicContact CG2-CB 3.84Å; I266-I271 HydrophobicContact CG2-CD1 4.37Å; I266-I271 HydrophobicContact CG2-CG1 4.5Å; S267-I271 PolarHBondContact O-N 2.74Å; K269-I271 PolarHBondContact O-N 3.39Å; I271-S274 PolarHBondContact O-N 3.42Å; I271-A275 PolarHBondContact O-N 2.8Å; I271-I302 HydrophobicContact CD1-CD1 4.46Å; I271-M306 HydrophobicContact CD1-SD 4.47Å; I271-M306 HydrophobicContact CG1-SD 3.86Å; I271-L309 HydrophobicContact CD1-CD1 3.39Å; I271-L309 HydrophobicContact CG1-CD1 3.77Å; I271-I441 HydrophobicContact CB-CG2 4.16Å; I271-I441 HydrophobicContact CG1-CG2 4.15Å
272T97.5Very high96Very high0 Ų012.3 Ų12.30%06%0.059CC..Hα-helixtrans-67.2-39.817454.70000111.9V57 Q58 T59 I63 H268 K269 A275 I276V57-T272 HydrophobicContact CG1-CG2 4.41Å; Q58-T272 PolarHBondContact O-OG1 2.89Å; T59-T272 WeakPolarHBondContact O-CG2 3.39Å; I63-T272 HydrophobicContact CD1-CG2 3.66Å; I63-T272 HydrophobicContact CG1-CG2 3.83Å; H268-T272 WeakPolarHBondContact O-CB 3.18Å; H268-T272 VanDerWaalsContact O-CG2 3.28Å; H268-T272 WeakPolarHBondContact O-CG2 3.49Å; H268-T272 PolarHBondContact O-N 2.69Å; H268-T272 PolarHBondContact O-OG1 3.17Å; K269-T272 PolarHBondContact O-N 2.91Å; K269-T272 PolarHBondContact O-OG1 3.18Å; T272-A275 PolarHBondContact O-N 2.89Å; T272-I276 WeakPolarHBondContact O-CG1 3.44Å; T272-I276 PolarHBondContact O-N 3.43Å
273R96.3Very high96Very high39 Ų3910.6 Ų10.615%0.1475%0.052CC..Hα-helixtrans-62.5-41.4173.1-70-71.2-179.4-10212.1111.8E54 K269 E270 A275 I276 S277 D491 Q492E54-R273 VanDerWaalsContact CD-CZ 3.49Å; E54-R273 VanDerWaalsContact CG-CZ 3.47Å; E54-R273 IonicContact OE1-CZ 2.97Å; E54-R273 IonicContact OE1-NE 2.76Å; E54-R273 PolarHBondContact OE1-NE 2.91Å; E54-R273 VanDerWaalsContact OE1-NE 3.12Å; E54-R273 IonicContact OE1-NH1 3.53Å; E54-R273 PolarHBondContact OE1-NH1 3.38Å; E54-R273 IonicContact OE1-NH2 2.74Å; E54-R273 PolarHBondContact OE1-NH2 2.95Å; K269-R273 HydrophobicContact CG-CG 4.08Å; K269-R273 VanDerWaalsContact O-CB 3.31Å; K269-R273 WeakPolarHBondContact O-CB 3.25Å; K269-R273 WeakPolarHBondContact O-CG 3.44Å; K269-R273 PolarHBondContact O-N 3.32Å; E270-R273 PolarHBondContact O-N 3.29Å; R273-A275 PolarHBondContact O-N 3.47Å; R273-I276 PolarHBondContact O-N 2.76Å; R273-S277 VanDerWaalsContact O-CB 3.27Å; R273-S277 WeakPolarHBondContact O-CB 3.37Å; R273-S277 PolarHBondContact O-N 2.7Å; R273-D491 HydrophobicContact CG-CB 4.46Å; R273-Q492 HydrophobicContact CB-CB 4.01Å
274S96.8Very high95.7Very high3 Ų313.2 Ų13.22%0.0216%0.063CC..Hα-helixtrans-61.8-41174-171.80000112.3E270 I271 S277 L278 M306 I441E270-S274 PolarHBondContact O-N 3.48Å; I271-S274 PolarHBondContact O-N 3.42Å; S274-S277 WeakPolarHBondContact O-CB 3.35Å; S274-S277 PolarHBondContact O-N 2.86Å; S274-L278 PolarHBondContact O-N 3.07Å; S274-M306 VanDerWaalsContact C-CE 3.41Å; S274-M306 VanDerWaalsContact OG-CE 3.3Å; S274-M306 WeakPolarHBondContact OG-CE 3.27Å; S274-I441 WeakPolarHBondContact CB-O 3.39Å; S274-I441 PolarHBondContact OG-O 3.45Å
275A96Very high95.2Very high0 Ų014.1 Ų14.10%07%0.067CC..Hα-helixtrans-66.6-42.3179.800000111.7I63 I271 T272 R273 L278 H279 M306I63-A275 HydrophobicContact CD1-CB 4.17Å; I271-A275 PolarHBondContact O-N 2.8Å; T272-A275 PolarHBondContact O-N 2.89Å; R273-A275 PolarHBondContact O-N 3.47Å; A275-L278 PolarHBondContact O-N 2.97Å; A275-H279 PolarHBondContact O-CD2 2.83Å; A275-H279 PolarHBondContact O-N 2.79Å; A275-M306 VanDerWaalsContact CA-CE 3.41Å; A275-M306 HydrophobicContact CB-CE 3.8Å
276I94.9Very high94.5Very high2 Ų212.6 Ų12.61%0.016%0.059CC..Hα-helixtrans-65.9-44.3175.4-66.4167.8000110.3F51 E54 T272 R273 L278 H279 E280 L313F51-I276 HydrophobicContact CB-CG2 4.12Å; F51-I276 HydrophobicContact CD1-CD1 3.79Å; F51-I276 HydrophobicContact CD1-CG1 3.95Å; F51-I276 HydrophobicContact CD1-CG2 3.96Å; F51-I276 HydrophobicContact CE1-CD1 3.73Å; F51-I276 HydrophobicContact CE1-CG1 4.01Å; F51-I276 HydrophobicContact CG-CG2 4.24Å; E54-I276 HydrophobicContact CB-CD1 4.42Å; E54-I276 HydrophobicContact CG-CD1 3.93Å; T272-I276 WeakPolarHBondContact O-CG1 3.44Å; T272-I276 PolarHBondContact O-N 3.43Å; R273-I276 PolarHBondContact O-N 2.76Å; I276-L278 VanDerWaalsContact C-N 3.29Å; I276-L278 PolarHBondContact O-N 3.25Å; I276-H279 PolarHBondContact O-N 3.48Å; I276-H279 VanDerWaalsContact O-N 3.13Å; I276-E280 HydrophobicContact CG2-CG 4.24Å; I276-E280 WeakPolarHBondContact O-CG 3.25Å; I276-E280 PolarHBondContact O-N 2.76Å; I276-L313 HydrophobicContact CG1-CD2 4.45Å
277S95.2Very high93.8Very high2 Ų213.2 Ų13.21%0.0146%0.061CC..Hα-helixtrans-52.1-48.6175.2174.50000111.7R273 S274 H279 E280 S281 V461 Y462 Q492R273-S277 VanDerWaalsContact O-CB 3.27Å; R273-S277 WeakPolarHBondContact O-CB 3.37Å; R273-S277 PolarHBondContact O-N 2.7Å; S274-S277 WeakPolarHBondContact O-CB 3.35Å; S274-S277 PolarHBondContact O-N 2.86Å; S277-H279 PolarHBondContact O-N 3.16Å; S277-E280 PolarHBondContact O-N 3.38Å; S277-S281 WeakPolarHBondContact O-CB 3.36Å; S277-S281 PolarHBondContact O-N 3.17Å; S277-S281 PolarHBondContact O-OG 3.09Å; S277-V461 WeakPolarHBondContact OG-CB 3.18Å; S277-V461 VanDerWaalsContact OG-CG2 3.23Å; S277-V461 WeakPolarHBondContact OG-CG2 3.37Å; S277-Y462 WeakPolarHBondContact CB-O 3.29Å; S277-Y462 PolarHBondContact OG-N 3.33Å; S277-Y462 PolarHBondContact OG-O 3.25Å; S277-Q492 PolarHBondContact OG-OE1 3.26Å
278L94.4Very high93.4Very high27 Ų2714.2 Ų14.214%0.1417%0.066CC..Hα-helixtrans-59.2-46.5178.2-178.659.3000111.9S274 A275 I276 S281 I282 L446S274-L278 PolarHBondContact O-N 3.07Å; A275-L278 PolarHBondContact O-N 2.97Å; I276-L278 VanDerWaalsContact C-N 3.29Å; I276-L278 PolarHBondContact O-N 3.25Å; L278-S281 PolarHBondContact O-N 3.43Å; L278-I282 WeakPolarHBondContact O-CG1 3.41Å; L278-I282 PolarHBondContact O-N 3.42Å; L278-I282 VanDerWaalsContact O-N 3.09Å; L278-L446 HydrophobicContact CD1-CD2 3.75Å
279H93.8Very high93.2Very high0 Ų016.2 Ų16.20%08%0.08CC..Hα-helixtrans-65.5-39.5-179.6-80.7-65000113.5A275 I276 S277 I282 E283 F284 F287 S310 M314A275-H279 PolarHBondContact O-CD2 2.83Å; A275-H279 PolarHBondContact O-N 2.79Å; I276-H279 PolarHBondContact O-N 3.48Å; I276-H279 VanDerWaalsContact O-N 3.13Å; S277-H279 PolarHBondContact O-N 3.16Å; H279-I282 VanDerWaalsContact O-CG1 3.25Å; H279-I282 WeakPolarHBondContact O-CG1 3.48Å; H279-I282 PolarHBondContact O-N 2.98Å; H279-E283 PolarHBondContact O-N 2.94Å; H279-F284 HydrophobicContact CB-CD1 4.12Å; H279-F284 HydrophobicContact CB-CE1 3.59Å; H279-F284 HydrophobicContact CB-CE2 4.18Å; H279-F284 HydrophobicContact CB-CZ 3.61Å; H279-F284 PolarHBondContact O-N 3.47Å; H279-F287 AromaticContact CE1-CD2 3.73Å; H279-F287 AromaticContact ND1-CD2 3.97Å; H279-S310 PolarHBondContact CE1-O 2.82Å; H279-S310 WeakPolarHBondContact NE2-CA 3.45Å; H279-S310 WeakPolarHBondContact NE2-CB 3.48Å; H279-S310 PolarHBondContact NE2-O 3.3Å; H279-M314 WeakPolarHBondContact CE1-CG 3.46Å
280E94Very high93Very high0 Ų017.5 Ų17.50%09%0.09CC..Hα-helixtrans-62.2-44.4172.3-69-69.6-176.500111.1K49 K50 F51 I276 S277 I282 E283 F284 Y462K49-E280 WeakPolarHBondContact CG-OE1 3.49Å; K50-E280 VanDerWaalsContact N-CD 3.27Å; K50-E280 PolarHBondContact N-OE1 2.9Å; K50-E280 PolarHBondContact N-OE2 3.47Å; F51-E280 VanDerWaalsContact CB-OE1 3.25Å; F51-E280 WeakPolarHBondContact CB-OE1 3.42Å; F51-E280 PolarHBondContact N-OE1 2.95Å; I276-E280 HydrophobicContact CG2-CG 4.24Å; I276-E280 WeakPolarHBondContact O-CG 3.25Å; I276-E280 PolarHBondContact O-N 2.76Å; S277-E280 PolarHBondContact O-N 3.38Å; E280-I282 VanDerWaalsContact C-N 3.3Å; E280-I282 PolarHBondContact O-N 3.39Å; E280-E283 VanDerWaalsContact O-CA 3.3Å; E280-E283 WeakPolarHBondContact O-CA 3.42Å; E280-E283 PolarHBondContact O-N 2.79Å; E280-F284 HydrophobicContact CG-CE2 4.28Å; E280-Y462 HydrophobicContact CB-CD1 4.02Å; E280-Y462 HydrophobicContact CB-CD2 4.45Å; E280-Y462 HydrophobicContact CB-CG 3.75Å; E280-Y462 HydrophobicContact CG-CD1 3.84Å; E280-Y462 HydrophobicContact CG-CE1 4.36Å; E280-Y462 HydrophobicContact CG-CG 4Å
281S94.5Very high92.8Very high9 Ų917.1 Ų17.16%0.0639%0.088CC..Hα-helixtrans-63.8-30.6-179.8-75.90000114.4S277 L278 E283 V461 Y462S277-S281 WeakPolarHBondContact O-CB 3.36Å; S277-S281 PolarHBondContact O-N 3.17Å; S277-S281 PolarHBondContact O-OG 3.09Å; L278-S281 PolarHBondContact O-N 3.43Å; S281-E283 VanDerWaalsContact C-N 3.3Å; S281-V461 WeakPolarHBondContact OG-CA 3.3Å; S281-V461 VanDerWaalsContact OG-CB 3.3Å; S281-V461 WeakPolarHBondContact OG-CB 3.48Å; S281-Y462 PolarHBondContact OG-N 2.87Å
282I92.1Very high92.8Very high4 Ų417.8 Ų17.82%0.0219%0.092CC..THydrogen-bonded Turntrans-917.6170.764.6172.6000112.8L278 H279 E280 F284 K285 I286 F287 F432 L446L278-I282 WeakPolarHBondContact O-CG1 3.41Å; L278-I282 PolarHBondContact O-N 3.42Å; L278-I282 VanDerWaalsContact O-N 3.09Å; H279-I282 VanDerWaalsContact O-CG1 3.25Å; H279-I282 WeakPolarHBondContact O-CG1 3.48Å; H279-I282 PolarHBondContact O-N 2.98Å; E280-I282 VanDerWaalsContact C-N 3.3Å; E280-I282 PolarHBondContact O-N 3.39Å; I282-F284 PolarHBondContact O-N 2.85Å; I282-F284 VanDerWaalsContact O-N 3.13Å; I282-K285 WeakPolarHBondContact O-CB 3.42Å; I282-K285 PolarHBondContact O-N 2.95Å; I282-I286 HydrophobicContact CB-CB 4.43Å; I282-I286 HydrophobicContact CB-CG1 4.12Å; I282-I286 HydrophobicContact CD1-CB 3.96Å; I282-F287 HydrophobicContact CD1-CB 4.37Å; I282-F287 HydrophobicContact CD1-CD2 3.23Å; I282-F287 HydrophobicContact CD1-CE2 3.57Å; I282-F287 HydrophobicContact CD1-CG 3.92Å; I282-F287 HydrophobicContact CD1-CZ 4.47Å; I282-F432 HydrophobicContact CG2-CD1 4.42Å; I282-F432 HydrophobicContact CG2-CE1 4.25Å; I282-L446 HydrophobicContact CG2-CD2 3.56Å
283E91.4Very high92.8Very high16 Ų1617.8 Ų17.88%0.0759%0.092CC..THydrogen-bonded Turntrans5428.7179.7-56.3170.4-119.700114.2S26 I47 H279 E280 S281 K285S26-E283 VanDerWaalsContact CA-OE1 3.3Å; S26-E283 WeakPolarHBondContact CA-OE1 3.15Å; S26-E283 WeakPolarHBondContact CB-OE1 3.49Å; S26-E283 PolarHBondContact OG-OE1 3.11Å; I47-E283 HydrophobicContact CD1-CG 4.47Å; H279-E283 PolarHBondContact O-N 2.94Å; E280-E283 VanDerWaalsContact O-CA 3.3Å; E280-E283 WeakPolarHBondContact O-CA 3.42Å; E280-E283 PolarHBondContact O-N 2.79Å; S281-E283 VanDerWaalsContact C-N 3.3Å; E283-K285 HydrophobicContact CB-CD 4.07Å; E283-K285 HydrophobicContact CB-CG 4.14Å; E283-K285 PolarHBondContact O-N 2.8Å; E283-K285 VanDerWaalsContact O-N 3.12Å; E283-K285 IonicContact OE1-NZ 2.66Å; E283-K285 WeakPolarHBondContact OE2-CE 3.41Å; E283-K285 IonicContact OE2-NZ 2.76Å; E283-K285 PolarHBondContact OE2-NZ 2.99Å
284F87.9Confident92.8Very high55 Ų5515.9 Ų15.924%0.2419%0.085CC..THydrogen-bonded Turntrans54.123.6-171.9-64.5-95.1000114.1K50 F51 H279 E280 I282 M314K50-F284 HydrophobicContact CB-CE2 4.42Å; F51-F284 HydrophobicContact CB-CE2 4.37Å; F51-F284 HydrophobicContact CB-CZ 3.9Å; F51-F284 HydrophobicContact CD2-CE1 4.12Å; F51-F284 AromaticContact CD2-CZ 3.79Å; F51-F284 HydrophobicContact CD2-CZ 3.79Å; F51-F284 HydrophobicContact CG-CZ 4.21Å; H279-F284 HydrophobicContact CB-CD1 4.12Å; H279-F284 HydrophobicContact CB-CE1 3.59Å; H279-F284 HydrophobicContact CB-CE2 4.18Å; H279-F284 HydrophobicContact CB-CZ 3.61Å; H279-F284 PolarHBondContact O-N 3.47Å; E280-F284 HydrophobicContact CG-CE2 4.28Å; I282-F284 PolarHBondContact O-N 2.85Å; I282-F284 VanDerWaalsContact O-N 3.13Å; F284-M314 HydrophobicContact CD1-CE 4.19Å; F284-M314 HydrophobicContact CD1-SD 4.25Å; F284-M314 HydrophobicContact CE1-SD 4.22Å
285K86.9Confident92.9Very high20 Ų2015.8 Ų15.89%0.0878%0.084CC..SBendtrans-91.6-9.9-177-72.2173.6176.1165.70113.8Y12 S23 F24 I282 E283 V449Y12-K285 WeakPolarHBondContact CE2-O 3.39Å; Y12-K285 PolarHBondContact OH-O 3.32Å; S23-K285 VanDerWaalsContact O-CE 3.31Å; S23-K285 WeakPolarHBondContact O-CE 3.43Å; S23-K285 PolarHBondContact O-NZ 3.4Å; F24-K285 WeakPolarHBondContact O-CD 3.48Å; F24-K285 PolarHBondContact O-NZ 3.1Å; F24-K285 VanDerWaalsContact O-NZ 3.13Å; I282-K285 WeakPolarHBondContact O-CB 3.42Å; I282-K285 PolarHBondContact O-N 2.95Å; E283-K285 HydrophobicContact CB-CD 4.07Å; E283-K285 HydrophobicContact CB-CG 4.14Å; E283-K285 PolarHBondContact O-N 2.8Å; E283-K285 VanDerWaalsContact O-N 3.12Å; E283-K285 IonicContact OE1-NZ 2.66Å; E283-K285 WeakPolarHBondContact OE2-CE 3.41Å; E283-K285 IonicContact OE2-NZ 2.76Å; E283-K285 PolarHBondContact OE2-NZ 2.99Å; K285-V449 HydrophobicContact CD-CG1 4.3Å; K285-V449 HydrophobicContact CD-CG2 4.37Å
286I83.8Confident92.7Very high1 Ų116.6 Ų16.61%0.0059%0.087CC..SBendtrans-117-28.7-169.3-54.5-63.3000112.4F24 I282 C408 F432 V449F24-I286 HydrophobicContact CE2-CD1 3.97Å; F24-I286 HydrophobicContact CZ-CD1 4.06Å; I282-I286 HydrophobicContact CB-CB 4.43Å; I282-I286 HydrophobicContact CB-CG1 4.12Å; I282-I286 HydrophobicContact CD1-CB 3.96Å; I286-C408 WeakPolarHBondContact CG2-SG 3.49Å; I286-F432 HydrophobicContact CD1-CE2 3.75Å; I286-F432 HydrophobicContact CD1-CZ 3.67Å; I286-F432 HydrophobicContact CG1-CE2 3.82Å; I286-F432 HydrophobicContact CG1-CZ 3.6Å; I286-F432 HydrophobicContact CG2-CE2 4.4Å; I286-V449 HydrophobicContact CD1-CG1 4.49Å
287F84.9Confident92.5Very high13 Ų1317.1 Ų17.16%0.0579%0.09CC..  trans-123140-179-53.3-40.5000111.5H279 I282 H311 M314 S339H279-F287 AromaticContact CE1-CD2 3.73Å; H279-F287 AromaticContact ND1-CD2 3.97Å; I282-F287 HydrophobicContact CD1-CB 4.37Å; I282-F287 HydrophobicContact CD1-CD2 3.23Å; I282-F287 HydrophobicContact CD1-CE2 3.57Å; I282-F287 HydrophobicContact CD1-CG 3.92Å; I282-F287 HydrophobicContact CD1-CZ 4.47Å; F287-H311 AromaticContact CD1-NE2 3.94Å; F287-M314 HydrophobicContact CB-CG 4.25Å; F287-S339 WeakPolarHBondContact CE1-OG 3.41Å
288N90.3Very high92.2Very high30 Ų3019.8 Ų19.816%0.1611%0.107CC..SBendtrans-159.8-176.7168.658.755.9000109.5F16 N290 S291 M314 A316F16-N288 WeakPolarHBondContact CD1-ND2 3.32Å; F16-N288 VanDerWaalsContact CD1-OD1 3.3Å; F16-N288 WeakPolarHBondContact CD1-OD1 3.49Å; F16-N288 WeakPolarHBondContact CE1-ND2 3.36Å; F16-N288 VanDerWaalsContact CE1-OD1 3.27Å; F16-N288 WeakPolarHBondContact CE1-OD1 3.35Å; N288-N290 PolarHBondContact O-N 2.71Å; N288-N290 WeakPolarHBondContact OD1-CB 3.37Å; N288-N290 PolarHBondContact OD1-N 3.46Å; N288-S291 PolarHBondContact N-OG 3.24Å; N288-S291 WeakPolarHBondContact O-CB 3.39Å; N288-S291 PolarHBondContact O-N 2.76Å; N288-S291 PolarHBondContact O-OG 3.46Å; N288-M314 HydrophobicContact CB-CE 4.38Å; N288-A316 WeakPolarHBondContact O-CB 3.26Å
289S92.8Very high92.2Very high42 Ų4218.5 Ų18.529%0.29410%0.101SC..THydrogen-bonded Turntrans-59.3-17.8-177.554.20000115.7S291 M314S289-S291 VanDerWaalsContact C-N 3.31Å; S289-M314 WeakPolarHBondContact CA-O 3.39Å; S289-M314 VanDerWaalsContact CB-O 3.3Å; S289-M314 WeakPolarHBondContact CB-O 3.24Å; S289-M314 PolarHBondContact N-O 3.48Å; S289-M314 VanDerWaalsContact N-O 3.11Å
290N93Very high92.1Very high96 Ų9618.9 Ų18.951%0.51310%0.103SC..THydrogen-bonded Turntrans-86.5-1.5173.7-62.9-55.6000113.5F16 N288F16-N290 HydrophobicContact CD1-CB 4.4Å; F16-N290 HydrophobicContact CE1-CB 4.4Å; N288-N290 PolarHBondContact O-N 2.71Å; N288-N290 WeakPolarHBondContact OD1-CB 3.37Å; N288-N290 PolarHBondContact OD1-N 3.46Å
291S95.5Very high91.8Very high0 Ų022.3 Ų22.30%012%0.119CC..  trans-71.4147.1-178.7-49.50000110.5N288 S289 A316 S317 T338N288-S291 PolarHBondContact N-OG 3.24Å; N288-S291 WeakPolarHBondContact O-CB 3.39Å; N288-S291 PolarHBondContact O-N 2.76Å; N288-S291 PolarHBondContact O-OG 3.46Å; S289-S291 VanDerWaalsContact C-N 3.31Å; S291-A316 WeakPolarHBondContact O-CB 3.38Å; S291-S317 PolarHBondContact O-N 3.06Å; S291-T338 VanDerWaalsContact CA-OG1 3.27Å; S291-T338 WeakPolarHBondContact CA-OG1 3.41Å; S291-T338 WeakPolarHBondContact CB-OG1 3.25Å
292V97Very high91.8Very high14 Ų1422.5 Ų22.59%0.08512%0.119CC..EExtended strand (participates in β ladder)trans-128.2114.5176.8-177.30000108.2S317 L335 P337 T338V292-S317 CarbonylContact C-O 3.5Å; V292-S317 WeakPolarHBondContact CA-O 3.41Å; V292-L335 HydrophobicContact CG1-CD1 3.67Å; V292-L335 HydrophobicContact CG1-CD2 4.29Å; V292-L335 HydrophobicContact CG1-CG 3.72Å; V292-P337 CarbonylContact O-C 3.6Å; V292-P337 WeakPolarHBondContact O-CA 3.09Å; V292-P337 VanDerWaalsContact O-CB 3.27Å; V292-P337 WeakPolarHBondContact O-CB 3.16Å; V292-T338 HydrophobicContact CB-CG2 4.47Å; V292-T338 PolarHBondContact N-OG1 2.97Å; V292-T338 PolarHBondContact O-N 3.43Å
293H97.4Very high91.8Very high0 Ų024 Ų240%013%0.126CC..EExtended strand (participates in β ladder)trans-96.9146.4176.7178.448.1000111E304 H311 S317 S318 G319H293-E304 IonicContact CD2-OE1 2.83Å; H293-E304 IonicContact CE1-OE1 3.48Å; H293-E304 IonicContact CE1-OE2 3.24Å; H293-E304 IonicContact NE2-OE1 3.52Å; H293-E304 PolarHBondContact NE2-OE1 2.66Å; H293-E304 IonicContact NE2-OE2 2.79Å; H293-E304 PolarHBondContact NE2-OE2 3.23Å; H293-H311 AromaticContact CG-CE1 3.92Å; H293-H311 AromaticContact CG-ND1 3.9Å; H293-S317 PolarHBondContact N-O 3.45Å; H293-S318 CarbonylContact O-C 3.46Å; H293-S318 WeakPolarHBondContact O-CA 3.27Å; H293-G319 PolarHBondContact O-N 3.2Å
294L97.5Very high92Very high0 Ų023.2 Ų23.20%012%0.123CC..EExtended strand (participates in β ladder)trans-106.1109.9166-179.963.2000108.6Y296 G319 L321 L328 I332 L335 L340L294-Y296 HydrophobicContact CD2-CD1 4.23Å; L294-Y296 HydrophobicContact CG-CD1 4.17Å; L294-Y296 WeakPolarHBondContact O-CD1 3.33Å; L294-Y296 PolarHBondContact O-N 2.89Å; L294-G319 CarbonylContact C-O 3.48Å; L294-G319 WeakPolarHBondContact CA-O 3.06Å; L294-L321 HydrophobicContact CD1-CD2 4.36Å; L294-L321 HydrophobicContact CD2-CD2 4.38Å; L294-L328 HydrophobicContact CD2-CD1 3.62Å; L294-I332 HydrophobicContact CD2-CD1 4.26Å; L294-I332 HydrophobicContact CD2-CG1 3.38Å; L294-L335 HydrophobicContact CB-CD2 3.71Å; L294-L335 HydrophobicContact CD1-CD2 3.52Å; L294-L335 HydrophobicContact CG-CD2 4.15Å; L294-L340 HydrophobicContact CB-CD1 4.23Å
295S97Very high92.4Very high0 Ų020.6 Ų20.60%011%0.111CC..EExtended strand (participates in β ladder)trans-81.296.4173.7-171.60000110.2N126 E304 G319N126-S295 PolarHBondContact ND2-OG 2.93Å; S295-E304 WeakPolarHBondContact CA-OE1 3.24Å; S295-E304 WeakPolarHBondContact CB-OE1 3.09Å; S295-E304 PolarHBondContact OG-OE1 2.81Å; S295-G319 PolarHBondContact N-O 3.01Å
296Y93.2Very high92.8Very high17 Ų1720.1 Ų20.17%0.06711%0.109CC..  trans-131.4-19.7176.981.8-81.5000113.7L294 I325 L328 L340 V341 V342 V346L294-Y296 HydrophobicContact CD2-CD1 4.23Å; L294-Y296 HydrophobicContact CG-CD1 4.17Å; L294-Y296 WeakPolarHBondContact O-CD1 3.33Å; L294-Y296 PolarHBondContact O-N 2.89Å; Y296-I325 HydrophobicContact CD2-CD1 4.05Å; Y296-I325 HydrophobicContact CD2-CG1 4.45Å; Y296-I325 HydrophobicContact CE2-CD1 4.14Å; Y296-L328 HydrophobicContact CD1-CD1 4.21Å; Y296-L328 HydrophobicContact CD2-CD1 3.99Å; Y296-L328 HydrophobicContact CD2-CD2 4.29Å; Y296-L328 HydrophobicContact CE2-CD1 4.49Å; Y296-L328 HydrophobicContact CE2-CD2 4.1Å; Y296-L328 HydrophobicContact CG-CD1 3.84Å; Y296-L340 HydrophobicContact CE1-CD1 4.42Å; Y296-V341 WeakPolarHBondContact CE1-O 3.47Å; Y296-V341 PolarHBondContact OH-O 3.42Å; Y296-V342 WeakPolarHBondContact OH-CA 3.42Å; Y296-V346 HydrophobicContact CE2-CG2 4.2Å
297L90.8Very high93.4Very high13 Ų1320.5 Ų20.57%0.06811%0.113CC..SBendtrans-70.7141.2170.3-64-179.9000108.1N126 L299 M303 E304 V341 V343N126-L297 PolarHBondContact ND2-O 2.94Å; L297-L299 PolarHBondContact O-N 2.64Å; L297-M303 HydrophobicContact CD1-SD 3.99Å; L297-E304 HydrophobicContact CB-CB 4Å; L297-E304 HydrophobicContact CB-CG 4.43Å; L297-E304 WeakPolarHBondContact O-CG 3.46Å; L297-V341 HydrophobicContact CD1-CB 4.09Å; L297-V341 HydrophobicContact CD1-CG1 3.52Å; L297-V343 HydrophobicContact CD1-CG1 4.18Å; L297-V343 HydrophobicContact CD2-CG1 3.76Å; L297-V343 HydrophobicContact CD2-CG2 4.16Å
298P89.2Confident93.9Very high58 Ų5819.9 Ų19.938%0.37711%0.11SC..  trans-56.7124.8-175.1-23.630.7000112.2H301P298-H301 WeakPolarHBondContact O-CB 3.12Å; P298-H301 PolarHBondContact O-N 2.92Å
299L93.9Very high94.3Very high0 Ų018.5 Ų18.50%010%0.103CC..THydrogen-bonded Turntrans-56.5-26.9175.4-80.6160000114.2N126 W130 V131 L297 H301 E304 Q305 L308 F320N126-L299 HydrophobicContact CB-CD1 3.68Å; N126-L299 HydrophobicContact CB-CG 4.27Å; N126-L299 PolarHBondContact OD1-N 3.38Å; W130-L299 HydrophobicContact CB-CD1 4.23Å; W130-L299 HydrophobicContact CD2-CB 3.9Å; W130-L299 HydrophobicContact CD2-CD1 3.46Å; W130-L299 VanDerWaalsContact CD2-CD1 3.46Å; W130-L299 HydrophobicContact CD2-CG 4.2Å; W130-L299 HydrophobicContact CE3-CB 3.92Å; W130-L299 HydrophobicContact CE3-CD1 3.34Å; W130-L299 HydrophobicContact CE3-CD2 4.08Å; W130-L299 HydrophobicContact CE3-CG 3.95Å; W130-L299 HydrophobicContact CG-CD1 3.83Å; W130-L299 HydrophobicContact CH2-CB 3.71Å; W130-L299 HydrophobicContact CH2-CD2 4.49Å; W130-L299 HydrophobicContact CH2-CG 4.48Å; W130-L299 HydrophobicContact CZ2-CB 3.63Å; W130-L299 HydrophobicContact CZ3-CB 3.77Å; W130-L299 HydrophobicContact CZ3-CD1 3.95Å; W130-L299 HydrophobicContact CZ3-CD2 3.85Å; W130-L299 HydrophobicContact CZ3-CG 4.04Å; V131-L299 HydrophobicContact CG2-CD1 4.24Å; L297-L299 PolarHBondContact O-N 2.64Å; L299-H301 PolarHBondContact O-N 3.16Å; L299-H301 VanDerWaalsContact O-N 3.15Å; L299-E304 HydrophobicContact CD2-CG 3.59Å; L299-E304 HydrophobicContact CG-CG 3.94Å; L299-Q305 WeakPolarHBondContact O-CG 3.35Å; L299-Q305 PolarHBondContact O-NE2 3.32Å; L299-L308 HydrophobicContact CD2-CD2 3.68Å; L299-F320 HydrophobicContact CD1-CE1 4.44Å
300P91.3Very high94.4Very high8 Ų816.5 Ų16.55%0.0529%0.089CC..THydrogen-bonded Turntrans-59.3-20.9169.7-28.736.7000115.3P146 Y148P146-P300 VanDerWaalsContact CB-CA 3.47Å; P146-P300 HydrophobicContact CB-CB 3.62Å; P146-P300 HydrophobicContact CB-CG 3.8Å; Y148-P300 HydrophobicContact CD1-CB 4.43Å
301H88.4Confident94.5Very high73 Ų7312 Ų1234%0.3387%0.065SC..SBendtrans-87134.9177.6-64.4-49.2000112P298 L299 M303 E304 Q305P298-H301 WeakPolarHBondContact O-CB 3.12Å; P298-H301 PolarHBondContact O-N 2.92Å; L299-H301 PolarHBondContact O-N 3.16Å; L299-H301 VanDerWaalsContact O-N 3.15Å; H301-M303 PolarHBondContact O-N 2.97Å; H301-E304 PolarHBondContact O-N 2.81Å; H301-Q305 PolarHBondContact O-N 3.29Å
302I94.3Very high94.6Very high12 Ų1212.1 Ų12.16%0.0627%0.065CC..Hα-helixtrans-55.3-30.1-178.5-163.157.4000113.2I266 I271 E304 Q305 M306 T438 I441I266-I302 HydrophobicContact CD1-CD1 3.78Å; I271-I302 HydrophobicContact CD1-CD1 4.46Å; I302-E304 PolarHBondContact O-N 3.07Å; I302-Q305 HydrophobicContact CD1-CB 4.19Å; I302-Q305 WeakPolarHBondContact O-CB 3.46Å; I302-Q305 PolarHBondContact O-N 3.03Å; I302-M306 HydrophobicContact CD1-SD 4.47Å; I302-M306 HydrophobicContact CG1-CG 4.39Å; I302-M306 VanDerWaalsContact O-CG 3.28Å; I302-M306 WeakPolarHBondContact O-CG 3.44Å; I302-M306 PolarHBondContact O-N 3.27Å; I302-T438 HydrophobicContact CB-CG2 4.37Å; I302-I441 HydrophobicContact CD1-CG2 4.05Å
303M91.7Very high94.5Very high35 Ų3511.5 Ų11.517%0.1726%0.062CC..Hα-helixtrans-63-43.6179-169.8-175.5-165.800112.1L297 H301 M306 A307 V341 V343 S413L297-M303 HydrophobicContact CD1-SD 3.99Å; H301-M303 PolarHBondContact O-N 2.97Å; M303-M306 PolarHBondContact O-N 2.75Å; M303-A307 WeakPolarHBondContact O-CB 3.47Å; M303-A307 PolarHBondContact O-N 2.82Å; M303-V341 HydrophobicContact CE-CG1 3.26Å; M303-V341 HydrophobicContact CG-CG1 4.36Å; M303-V341 HydrophobicContact SD-CG1 3.91Å; M303-V343 HydrophobicContact SD-CG1 4.46Å; M303-S413 PolarHBondContact SD-OG 2.98Å; M303-S413 VanDerWaalsContact SD-OG 3.35Å
304E94.6Very high94.4Very high0 Ų013.2 Ų13.20%07%0.07CC..Hα-helixtrans-72.5-37177.1-17862.6-162.800110.9H293 S295 L297 L299 H301 I302 M306 A307 L308H293-E304 IonicContact CD2-OE1 2.83Å; H293-E304 IonicContact CE1-OE1 3.48Å; H293-E304 IonicContact CE1-OE2 3.24Å; H293-E304 IonicContact NE2-OE1 3.52Å; H293-E304 PolarHBondContact NE2-OE1 2.66Å; H293-E304 IonicContact NE2-OE2 2.79Å; H293-E304 PolarHBondContact NE2-OE2 3.23Å; S295-E304 WeakPolarHBondContact CA-OE1 3.24Å; S295-E304 WeakPolarHBondContact CB-OE1 3.09Å; S295-E304 PolarHBondContact OG-OE1 2.81Å; L297-E304 HydrophobicContact CB-CB 4Å; L297-E304 HydrophobicContact CB-CG 4.43Å; L297-E304 WeakPolarHBondContact O-CG 3.46Å; L299-E304 HydrophobicContact CD2-CG 3.59Å; L299-E304 HydrophobicContact CG-CG 3.94Å; H301-E304 PolarHBondContact O-N 2.81Å; I302-E304 PolarHBondContact O-N 3.07Å; E304-M306 VanDerWaalsContact C-N 3.3Å; E304-M306 PolarHBondContact O-N 3.13Å; E304-A307 PolarHBondContact O-N 3.35Å; E304-L308 WeakPolarHBondContact O-CB 3.31Å; E304-L308 PolarHBondContact O-N 3.01Å
305Q97Very high94.3Very high0 Ų013.2 Ų13.20%07%0.07CC..Hα-helixtrans-54.1-48.9172.1-70.5-61.7-40.500111.2W130 M250 L299 H301 I302 L309W130-Q305 VanDerWaalsContact CZ3-NE2 3.27Å; M250-Q305 HydrophobicContact CE-CG 3.73Å; M250-Q305 HydrophobicContact SD-CG 4.3Å; L299-Q305 WeakPolarHBondContact O-CG 3.35Å; L299-Q305 PolarHBondContact O-NE2 3.32Å; H301-Q305 PolarHBondContact O-N 3.29Å; I302-Q305 HydrophobicContact CD1-CB 4.19Å; I302-Q305 WeakPolarHBondContact O-CB 3.46Å; I302-Q305 PolarHBondContact O-N 3.03Å; Q305-L309 VanDerWaalsContact O-CB 3.28Å; Q305-L309 WeakPolarHBondContact O-CB 3.42Å; Q305-L309 VanDerWaalsContact O-CG 3.25Å; Q305-L309 WeakPolarHBondContact O-CG 3.34Å; Q305-L309 PolarHBondContact O-N 3.4Å
306M95.7Very high94.3Very high10 Ų1013.2 Ų13.25%0.0497%0.07CC..Hα-helixtrans-64.3-44.3177.4-66.1-40.6-57.100111.9I271 S274 A275 I302 M303 E304 L308 S310I271-M306 HydrophobicContact CD1-SD 4.47Å; I271-M306 HydrophobicContact CG1-SD 3.86Å; S274-M306 VanDerWaalsContact C-CE 3.41Å; S274-M306 VanDerWaalsContact OG-CE 3.3Å; S274-M306 WeakPolarHBondContact OG-CE 3.27Å; A275-M306 VanDerWaalsContact CA-CE 3.41Å; A275-M306 HydrophobicContact CB-CE 3.8Å; I302-M306 HydrophobicContact CD1-SD 4.47Å; I302-M306 HydrophobicContact CG1-CG 4.39Å; I302-M306 VanDerWaalsContact O-CG 3.28Å; I302-M306 WeakPolarHBondContact O-CG 3.44Å; I302-M306 PolarHBondContact O-N 3.27Å; M303-M306 PolarHBondContact O-N 2.75Å; E304-M306 VanDerWaalsContact C-N 3.3Å; E304-M306 PolarHBondContact O-N 3.13Å; M306-L308 PolarHBondContact O-N 2.94Å; M306-S310 WeakPolarHBondContact O-CB 3.24Å; M306-S310 PolarHBondContact O-N 3.23Å; M306-S310 PolarHBondContact O-OG 2.73Å; M306-S310 VanDerWaalsContact O-OG 3.05Å
307A95.2Very high94.6Very high10 Ų1013 Ų138%0.0837%0.071CC..Hα-helixtrans-58.8-51.1178.100000111.4M303 E304 H311 V341M303-A307 WeakPolarHBondContact O-CB 3.47Å; M303-A307 PolarHBondContact O-N 2.82Å; E304-A307 PolarHBondContact O-N 3.35Å; A307-H311 PolarHBondContact O-N 3.01Å; A307-H311 VanDerWaalsContact O-N 3.15Å; A307-H311 PolarHBondContact O-ND1 3.35Å; A307-V341 HydrophobicContact CB-CG2 3.97Å
308L96.9Very high94.9Very high0 Ų012.5 Ų12.50%07%0.069CC..Hα-helixtrans-64.5-50.3-178.8-179.667.2000111.7V131 L299 E304 M306 S310 H311 I312 S318V131-L308 HydrophobicContact CB-CD2 4.34Å; V131-L308 HydrophobicContact CG1-CD2 3.96Å; V131-L308 HydrophobicContact CG2-CD2 3.42Å; V131-L308 VanDerWaalsContact CG2-CD2 3.42Å; L299-L308 HydrophobicContact CD2-CD2 3.68Å; E304-L308 WeakPolarHBondContact O-CB 3.31Å; E304-L308 PolarHBondContact O-N 3.01Å; M306-L308 PolarHBondContact O-N 2.94Å; L308-S310 VanDerWaalsContact C-N 3.32Å; L308-S310 PolarHBondContact O-N 3.5Å; L308-H311 PolarHBondContact O-N 2.86Å; L308-H311 VanDerWaalsContact O-N 3.1Å; L308-I312 HydrophobicContact CD1-CD1 4.16Å; L308-I312 HydrophobicContact CD1-CG1 4.43Å; L308-I312 HydrophobicContact CD2-CD1 4.47Å; L308-I312 HydrophobicContact CG-CD1 3.94Å; L308-I312 WeakPolarHBondContact O-CG1 3.35Å; L308-I312 PolarHBondContact O-N 3.39Å; L308-S318 WeakPolarHBondContact CD1-OG 3.27Å
309L97.5Very high95.4Very high0 Ų09.7 Ų9.70%05%0.051CC..Hα-helixtrans-63.6-37.7-178.9-70.1175.4000112.1V60 I63 I271 Q305 H311 I312 L313V60-L309 HydrophobicContact CG1-CD2 3.89Å; V60-L309 HydrophobicContact CG2-CD1 4.48Å; I63-L309 HydrophobicContact CD1-CB 4.35Å; I63-L309 HydrophobicContact CG2-CD2 4.27Å; I271-L309 HydrophobicContact CD1-CD1 3.39Å; I271-L309 HydrophobicContact CG1-CD1 3.77Å; Q305-L309 VanDerWaalsContact O-CB 3.28Å; Q305-L309 WeakPolarHBondContact O-CB 3.42Å; Q305-L309 VanDerWaalsContact O-CG 3.25Å; Q305-L309 WeakPolarHBondContact O-CG 3.34Å; Q305-L309 PolarHBondContact O-N 3.4Å; L309-H311 VanDerWaalsContact C-N 3.32Å; L309-H311 PolarHBondContact O-N 3.04Å; L309-I312 PolarHBondContact O-N 2.88Å; L309-L313 WeakPolarHBondContact O-CB 3.24Å; L309-L313 PolarHBondContact O-N 3.23Å
310S94.8Very high95.6Very high0 Ų09.8 Ų9.80%05%0.051CC..Hα-helixtrans-64.5-34.9174.1-72.60000112.6H279 M306 L308 M314H279-S310 PolarHBondContact CE1-O 2.82Å; H279-S310 WeakPolarHBondContact NE2-CA 3.45Å; H279-S310 WeakPolarHBondContact NE2-CB 3.48Å; H279-S310 PolarHBondContact NE2-O 3.3Å; M306-S310 WeakPolarHBondContact O-CB 3.24Å; M306-S310 PolarHBondContact O-N 3.23Å; M306-S310 PolarHBondContact O-OG 2.73Å; M306-S310 VanDerWaalsContact O-OG 3.05Å; L308-S310 VanDerWaalsContact C-N 3.32Å; L308-S310 PolarHBondContact O-N 3.5Å; S310-M314 WeakPolarHBondContact O-CG 3.49Å; S310-M314 PolarHBondContact O-N 2.99Å
311H96.1Very high95.8Very high2 Ų211.1 Ų11.11%0.0096%0.058CC..Hα-helixtrans-71.2-42.3173.2-76.585.2000111.6F287 H293 A307 L308 L309 L313 M314 G315 A316F287-H311 AromaticContact CD1-NE2 3.94Å; H293-H311 AromaticContact CG-CE1 3.92Å; H293-H311 AromaticContact CG-ND1 3.9Å; A307-H311 PolarHBondContact O-N 3.01Å; A307-H311 VanDerWaalsContact O-N 3.15Å; A307-H311 PolarHBondContact O-ND1 3.35Å; L308-H311 PolarHBondContact O-N 2.86Å; L308-H311 VanDerWaalsContact O-N 3.1Å; L309-H311 VanDerWaalsContact C-N 3.32Å; L309-H311 PolarHBondContact O-N 3.04Å; H311-L313 PolarHBondContact O-N 2.79Å; H311-M314 PolarHBondContact O-N 2.93Å; H311-M314 VanDerWaalsContact O-N 3.15Å; H311-G315 PolarHBondContact O-N 3.33Å; H311-A316 HydrophobicContact CB-CB 3.99Å; H311-A316 VanDerWaalsContact O-CB 3.28Å; H311-A316 WeakPolarHBondContact O-CB 3.32Å; H311-A316 PolarHBondContact O-N 3.47Å
312I97.5Very high96.1Very high2 Ų28.8 Ų8.81%0.015%0.048CC..Hα-helixtrans-60.5-46.6177.8-70.2175.2000110.8I63 F64 G67 Y92 V131 H135 L308 L309 M314 G315I63-I312 HydrophobicContact CG2-CB 4.27Å; I63-I312 HydrophobicContact CG2-CG2 3.88Å; F64-I312 HydrophobicContact CB-CG2 4.27Å; F64-I312 HydrophobicContact CD2-CG2 3.9Å; G67-I312 VanDerWaalsContact CA-O 3.24Å; G67-I312 WeakPolarHBondContact CA-O 3.36Å; Y92-I312 HydrophobicContact CE1-CG2 4.35Å; Y92-I312 WeakPolarHBondContact OH-CA 3.17Å; Y92-I312 PolarHBondContact OH-O 2.95Å; Y92-I312 VanDerWaalsContact OH-O 3.04Å; V131-I312 HydrophobicContact CG1-CD1 4.15Å; H135-I312 WeakPolarHBondContact NE2-CD1 3.36Å; L308-I312 HydrophobicContact CD1-CD1 4.16Å; L308-I312 HydrophobicContact CD1-CG1 4.43Å; L308-I312 HydrophobicContact CD2-CD1 4.47Å; L308-I312 HydrophobicContact CG-CD1 3.94Å; L308-I312 WeakPolarHBondContact O-CG1 3.35Å; L308-I312 PolarHBondContact O-N 3.39Å; L309-I312 PolarHBondContact O-N 2.88Å; I312-M314 PolarHBondContact O-N 3.23Å; I312-G315 PolarHBondContact O-N 2.95Å
313L95.7Very high95.8Very high1 Ų114.6 Ų14.61%0.0058%0.075CC..Hα-helixtrans-54.4-36.6177-179.359.2000112F51 V57 I63 Y66 I276 L309 H311 G315F51-L313 HydrophobicContact CZ-CD1 4.49Å; V57-L313 HydrophobicContact CG1-CD1 4.04Å; V57-L313 HydrophobicContact CG2-CD1 4.24Å; I63-L313 HydrophobicContact CG1-CD1 4.36Å; I63-L313 HydrophobicContact CG2-CB 4.05Å; Y66-L313 HydrophobicContact CD1-CD1 3.72Å; Y66-L313 VanDerWaalsContact CD1-O 3.3Å; Y66-L313 WeakPolarHBondContact CD1-O 3.08Å; Y66-L313 HydrophobicContact CE1-CD1 4.41Å; Y66-L313 HydrophobicContact CG-CD1 4.06Å; I276-L313 HydrophobicContact CG1-CD2 4.45Å; L309-L313 WeakPolarHBondContact O-CB 3.24Å; L309-L313 PolarHBondContact O-N 3.23Å; H311-L313 PolarHBondContact O-N 2.79Å; L313-G315 VanDerWaalsContact C-N 3.32Å; L313-G315 PolarHBondContact O-N 3.09Å
314M94.2Very high95.4Very high36 Ų3615.4 Ų15.418%0.1779%0.085CC..THydrogen-bonded Turntrans-85.21.3-179.8-64.6-51.7-62.200114.4H279 F284 F287 N288 S289 S310 H311 I312 A316H279-M314 WeakPolarHBondContact CE1-CG 3.46Å; F284-M314 HydrophobicContact CD1-CE 4.19Å; F284-M314 HydrophobicContact CD1-SD 4.25Å; F284-M314 HydrophobicContact CE1-SD 4.22Å; F287-M314 HydrophobicContact CB-CG 4.25Å; N288-M314 HydrophobicContact CB-CE 4.38Å; S289-M314 WeakPolarHBondContact CA-O 3.39Å; S289-M314 VanDerWaalsContact CB-O 3.3Å; S289-M314 WeakPolarHBondContact CB-O 3.24Å; S289-M314 PolarHBondContact N-O 3.48Å; S289-M314 VanDerWaalsContact N-O 3.11Å; S310-M314 WeakPolarHBondContact O-CG 3.49Å; S310-M314 PolarHBondContact O-N 2.99Å; H311-M314 PolarHBondContact O-N 2.93Å; H311-M314 VanDerWaalsContact O-N 3.15Å; I312-M314 PolarHBondContact O-N 3.23Å; M314-A316 VanDerWaalsContact C-N 3.28Å
315G96.5Very high94.9Very high0 Ų018.6 Ų18.60%010%0.101CC..THydrogen-bonded Turntrans72.820.7-174.200000113.5S71 Y92 H311 I312 L313S71-G315 WeakPolarHBondContact CB-O 3.13Å; S71-G315 PolarHBondContact OG-O 2.86Å; S71-G315 VanDerWaalsContact OG-O 3.14Å; Y92-G315 WeakPolarHBondContact OH-CA 3.41Å; H311-G315 PolarHBondContact O-N 3.33Å; I312-G315 PolarHBondContact O-N 2.95Å; L313-G315 VanDerWaalsContact C-N 3.32Å; L313-G315 PolarHBondContact O-N 3.09Å
316A96.9Very high94.2Very high1 Ų124 Ų241%0.00813%0.129CC..  trans-85.9169.7-174.200000112.9Y92 N288 S291 H311 M314Y92-A316 PolarHBondContact OH-N 3.32Å; Y92-A316 PolarHBondContact OH-O 3.01Å; Y92-A316 VanDerWaalsContact OH-O 3.06Å; N288-A316 WeakPolarHBondContact O-CB 3.26Å; S291-A316 WeakPolarHBondContact O-CB 3.38Å; H311-A316 HydrophobicContact CB-CB 3.99Å; H311-A316 VanDerWaalsContact O-CB 3.28Å; H311-A316 WeakPolarHBondContact O-CB 3.32Å; H311-A316 PolarHBondContact O-N 3.47Å; M314-A316 VanDerWaalsContact C-N 3.28Å
317S98.1Very high93.9Very high12 Ų1228.7 Ų28.78%0.08415%0.147CC..EExtended strand (participates in β ladder)trans-100.4141-178.9-47.30000112.1R75 C76 S291 V292 H293R75-S317 VanDerWaalsContact CB-OG 3.3Å; R75-S317 WeakPolarHBondContact CB-OG 3.42Å; R75-S317 WeakPolarHBondContact O-CB 3.34Å; R75-S317 PolarHBondContact O-OG 3.13Å; C76-S317 CarbonylContact O-C 3.31Å; C76-S317 WeakPolarHBondContact O-CA 3.36Å; S291-S317 PolarHBondContact O-N 3.06Å; V292-S317 CarbonylContact C-O 3.5Å; V292-S317 WeakPolarHBondContact CA-O 3.41Å; H293-S317 PolarHBondContact N-O 3.45Å
318S98.5Very high93.7Very high2 Ų228.8 Ų28.81%0.01415%0.146CC..EExtended strand (participates in β ladder)trans-123.4120.6174.5-61.10000111C76 L77 G78 W89 H293 L308C76-S318 PolarHBondContact O-N 3.39Å; L77-S318 CarbonylContact C-O 3.52Å; L77-S318 WeakPolarHBondContact CA-O 3.22Å; G78-S318 PolarHBondContact N-O 3.12Å; W89-S318 WeakPolarHBondContact CZ3-O 3.42Å; H293-S318 CarbonylContact O-C 3.46Å; H293-S318 WeakPolarHBondContact O-CA 3.27Å; L308-S318 WeakPolarHBondContact CD1-OG 3.27Å
319G98.3Very high93.4Very high0 Ų031.1 Ų31.10%016%0.158CC..EExtended strand (participates in β ladder)trans-94.1150.9170.900000111.4G78 H293 L294 S295G78-G319 CarbonylContact O-C 3.49Å; G78-G319 VanDerWaalsContact O-CA 3.31Å; G78-G319 WeakPolarHBondContact O-CA 3.15Å; H293-G319 PolarHBondContact O-N 3.2Å; L294-G319 CarbonylContact C-O 3.48Å; L294-G319 WeakPolarHBondContact CA-O 3.06Å; S295-G319 PolarHBondContact N-O 3.01Å
320F97.9Very high93.2Very high2 Ų233.4 Ų33.41%0.00917%0.17CC..EExtended strand (participates in β ladder)trans-107.1162.6175.3-62.1-88.4000111.2L77 G78 Y87 N126 P128 V131 L299L77-F320 HydrophobicContact CB-CE2 4.12Å; L77-F320 HydrophobicContact CD2-CE2 3.94Å; L77-F320 HydrophobicContact CD2-CZ 4.09Å; G78-F320 WeakPolarHBondContact O-CD2 3.32Å; G78-F320 PolarHBondContact O-N 3.41Å; Y87-F320 WeakPolarHBondContact CE1-O 3.45Å; Y87-F320 PolarHBondContact OH-O 3.26Å; N126-F320 HydrophobicContact CB-CD1 3.78Å; N126-F320 HydrophobicContact CB-CE1 4.14Å; P128-F320 HydrophobicContact CB-CE2 4.4Å; P128-F320 HydrophobicContact CG-CD2 3.71Å; P128-F320 HydrophobicContact CG-CE2 3.86Å; V131-F320 HydrophobicContact CG2-CE1 4.05Å; V131-F320 HydrophobicContact CG2-CZ 3.65Å; L299-F320 HydrophobicContact CD1-CE1 4.44Å
321L95.9Very high93.3Very high36 Ų3633.4 Ų33.419%0.18817%0.17CC..  trans-62.7148.4171.6-68.8179.7000111L294 L328 D331L294-L321 HydrophobicContact CD1-CD2 4.36Å; L294-L321 HydrophobicContact CD2-CD2 4.38Å; L321-L328 HydrophobicContact CD2-CD1 3.77Å; L321-D331 WeakPolarHBondContact CA-OD2 3.35Å; L321-D331 HydrophobicContact CD2-CB 4.18Å
322T95.2Very high93.2Very high23 Ų2333.3 Ų33.314%0.14117%0.17CC..SBendtrans-72-44.2172.2-55.10000110.7R80 F83 D331R80-T322 HydrophobicContact CB-CG2 4.2Å; R80-T322 WeakPolarHBondContact CB-OG1 3.45Å; R80-T322 WeakPolarHBondContact CD-OG1 3.41Å; F83-T322 HydrophobicContact CD1-CG2 4.32Å; F83-T322 HydrophobicContact CD2-CG2 4.04Å; F83-T322 HydrophobicContact CE1-CG2 4.32Å; F83-T322 HydrophobicContact CE2-CG2 4.07Å; F83-T322 HydrophobicContact CG-CG2 4.18Å; F83-T322 HydrophobicContact CZ-CG2 4.19Å; T322-D331 PolarHBondContact N-OD2 3.45Å; T322-D331 PolarHBondContact OG1-OD1 3.11Å
323E88.5Confident93.2Very high134 Ų13435.7 Ų35.763%0.62618%0.181SC*.SBendtrans-142.7-122.5179.8-67.3176.8-166.100110F83F83-E323 HydrophobicContact CE2-CB 3.97Å; F83-E323 HydrophobicContact CE2-CG 3.81Å; F83-E323 HydrophobicContact CZ-CB 4.11Å; F83-E323 HydrophobicContact CZ-CG 4.38Å
324S82.2Confident93.2Very high53 Ų5339.8 Ų39.837%0.37120%0.202SC..  trans-85.8167.3-179.282.20000112.9D326 R327S324-D326 PolarHBondContact O-N 2.83Å; S324-D326 VanDerWaalsContact O-N 3.07Å; S324-D326 WeakPolarHBondContact OG-CB 3.4Å; S324-D326 PolarHBondContact OG-N 3.44Å; S324-D326 PolarHBondContact OG-OD2 2.87Å; S324-R327 PolarHBondContact O-N 2.65Å
325I84.2Confident93.3Very high67 Ų6738.4 Ų38.434%0.34420%0.195SC..G310 helixtrans-62.1-12.7175.9-162.1168.7000113.8Y296 R327 L328 V346Y296-I325 HydrophobicContact CD2-CD1 4.05Å; Y296-I325 HydrophobicContact CD2-CG1 4.45Å; Y296-I325 HydrophobicContact CE2-CD1 4.14Å; I325-R327 PolarHBondContact O-N 3.47Å; I325-L328 HydrophobicContact CG1-CB 4.17Å; I325-L328 HydrophobicContact CG1-CD2 4.13Å; I325-L328 WeakPolarHBondContact O-CB 3.33Å; I325-L328 PolarHBondContact O-N 3.16Å; I325-L328 VanDerWaalsContact O-N 3.14Å; I325-V346 HydrophobicContact CD1-CG2 4.12Å
326D82.7Confident93.3Very high112 Ų11244.3 Ų44.360%0.59922%0.218SC*.G310 helixtrans-63.6-31.5-177.4-62.6-49.9000112.5S324S324-D326 PolarHBondContact O-N 2.83Å; S324-D326 VanDerWaalsContact O-N 3.07Å; S324-D326 WeakPolarHBondContact OG-CB 3.4Å; S324-D326 PolarHBondContact OG-N 3.44Å; S324-D326 PolarHBondContact OG-OD2 2.87Å
327R88.7Confident93.3Very high109 Ų10944.3 Ų44.341%0.41122%0.217SC..G310 helixtrans-105.723.4177.2-62.1-167.964.4-176.5-1.4113.2F83 S324 I325 L329 D330 D331F83-R327 HydrophobicContact CE1-CB 3.59Å; F83-R327 HydrophobicContact CE1-CG 4.48Å; F83-R327 HydrophobicContact CE2-CB 4.29Å; F83-R327 HydrophobicContact CE2-CG 4.45Å; F83-R327 VanDerWaalsContact CG-CZ 3.43Å; F83-R327 VanDerWaalsContact CG-NH1 3.29Å; F83-R327 HydrophobicContact CZ-CB 3.45Å; F83-R327 VanDerWaalsContact CZ-CB 3.45Å; F83-R327 HydrophobicContact CZ-CG 4.07Å; S324-R327 PolarHBondContact O-N 2.65Å; I325-R327 PolarHBondContact O-N 3.47Å; R327-L329 PolarHBondContact O-N 3.2Å; R327-L329 VanDerWaalsContact O-N 3.11Å; R327-D330 HydrophobicContact CB-CB 4.5Å; R327-D330 IonicContact CZ-OD2 2.81Å; R327-D330 VanDerWaalsContact CZ-OD2 3.24Å; R327-D330 IonicContact NE-OD2 3.37Å; R327-D330 PolarHBondContact NE-OD2 2.85Å; R327-D330 IonicContact NH2-OD2 3.56Å; R327-D330 PolarHBondContact NH2-OD2 2.69Å; R327-D330 WeakPolarHBondContact O-CB 3.2Å; R327-D330 PolarHBondContact O-N 2.91Å; R327-D331 PolarHBondContact O-N 2.76Å
328L90.4Very high93.1Very high13 Ų1343.8 Ų43.87%0.06821%0.214CC..Hα-helixtrans-47.9-42.7-179.9174.164.4000113.6L294 Y296 L321 I325 D330 D331 I332 V346L294-L328 HydrophobicContact CD2-CD1 3.62Å; Y296-L328 HydrophobicContact CD1-CD1 4.21Å; Y296-L328 HydrophobicContact CD2-CD1 3.99Å; Y296-L328 HydrophobicContact CD2-CD2 4.29Å; Y296-L328 HydrophobicContact CE2-CD1 4.49Å; Y296-L328 HydrophobicContact CE2-CD2 4.1Å; Y296-L328 HydrophobicContact CG-CD1 3.84Å; L321-L328 HydrophobicContact CD2-CD1 3.77Å; I325-L328 HydrophobicContact CG1-CB 4.17Å; I325-L328 HydrophobicContact CG1-CD2 4.13Å; I325-L328 WeakPolarHBondContact O-CB 3.33Å; I325-L328 PolarHBondContact O-N 3.16Å; I325-L328 VanDerWaalsContact O-N 3.14Å; L328-D330 VanDerWaalsContact C-N 3.28Å; L328-D330 PolarHBondContact O-N 2.89Å; L328-D331 PolarHBondContact O-N 3.22Å; L328-I332 HydrophobicContact CD1-CD1 3.9Å; L328-I332 HydrophobicContact CD1-CG1 4.13Å; L328-I332 HydrophobicContact CD2-CD1 4.27Å; L328-I332 HydrophobicContact CG-CD1 3.69Å; L328-I332 HydrophobicContact CG-CG1 4.32Å; L328-I332 VanDerWaalsContact O-CG1 3.3Å; L328-I332 WeakPolarHBondContact O-CG1 3.48Å; L328-I332 PolarHBondContact O-N 2.96Å; L328-V346 HydrophobicContact CD2-CG1 3.78Å
329L91.4Very high92.8Very high48 Ų4843.7 Ų43.725%0.25121%0.213SC..Hα-helixtrans-66.4-27.9-179.9-73.7179.4000113.4R327 I332 E333 L350 F402R327-L329 PolarHBondContact O-N 3.2Å; R327-L329 VanDerWaalsContact O-N 3.11Å; L329-I332 HydrophobicContact CD2-CD1 4.29Å; L329-E333 VanDerWaalsContact O-CB 3.29Å; L329-E333 WeakPolarHBondContact O-CB 3.36Å; L329-E333 PolarHBondContact O-N 3.4Å; L329-L350 HydrophobicContact CD1-CD2 3.78Å; L329-L350 HydrophobicContact CD2-CD2 3.76Å; L329-L350 HydrophobicContact CG-CD2 3.95Å; L329-F402 HydrophobicContact CD2-CD2 4.07Å; L329-F402 HydrophobicContact CD2-CE2 3.67Å; L329-F402 HydrophobicContact CD2-CZ 4.1Å
330D93.5Very high92.5Very high48 Ų4843.8 Ų43.826%0.25721%0.213SC..Hα-helixtrans-70.3-39.8177.1-63.7-31.7000110.5F83 R327 L328 I334F83-D330 HydrophobicContact CD1-CB 4.11Å; F83-D330 HydrophobicContact CE1-CB 4.26Å; R327-D330 HydrophobicContact CB-CB 4.5Å; R327-D330 IonicContact CZ-OD2 2.81Å; R327-D330 VanDerWaalsContact CZ-OD2 3.24Å; R327-D330 IonicContact NE-OD2 3.37Å; R327-D330 PolarHBondContact NE-OD2 2.85Å; R327-D330 IonicContact NH2-OD2 3.56Å; R327-D330 PolarHBondContact NH2-OD2 2.69Å; R327-D330 WeakPolarHBondContact O-CB 3.2Å; R327-D330 PolarHBondContact O-N 2.91Å; L328-D330 VanDerWaalsContact C-N 3.28Å; L328-D330 PolarHBondContact O-N 2.89Å; D330-I334 WeakPolarHBondContact O-CG1 3.14Å; D330-I334 PolarHBondContact O-N 3.14Å
331D96Very high92.2Very high0 Ų044.1 Ų44.10%022%0.216CC..Hα-helixtrans-69.4-42.9174.2-75.3-34.3000111.9R80 L321 T322 R327 L328 E333 I334 L335R80-D331 IonicContact CZ-OD1 3.24Å; R80-D331 IonicContact NH1-OD1 2.74Å; R80-D331 PolarHBondContact NH1-OD1 3.08Å; L321-D331 WeakPolarHBondContact CA-OD2 3.35Å; L321-D331 HydrophobicContact CD2-CB 4.18Å; T322-D331 PolarHBondContact N-OD2 3.45Å; T322-D331 PolarHBondContact OG1-OD1 3.11Å; R327-D331 PolarHBondContact O-N 2.76Å; L328-D331 PolarHBondContact O-N 3.22Å; D331-E333 VanDerWaalsContact C-N 3.33Å; D331-E333 PolarHBondContact O-N 3.12Å; D331-I334 PolarHBondContact O-N 3.26Å; D331-L335 WeakPolarHBondContact O-CB 3.32Å; D331-L335 PolarHBondContact O-N 2.72Å
332I95.8Very high91.8Very high1 Ų142.4 Ų42.41%0.00521%0.207CC..Hα-helixtrans-59.5-44.4175.5-66.7169.5000110.9L294 L328 L329 I334 R336 P337 L340 F402L294-I332 HydrophobicContact CD2-CD1 4.26Å; L294-I332 HydrophobicContact CD2-CG1 3.38Å; L328-I332 HydrophobicContact CD1-CD1 3.9Å; L328-I332 HydrophobicContact CD1-CG1 4.13Å; L328-I332 HydrophobicContact CD2-CD1 4.27Å; L328-I332 HydrophobicContact CG-CD1 3.69Å; L328-I332 HydrophobicContact CG-CG1 4.32Å; L328-I332 VanDerWaalsContact O-CG1 3.3Å; L328-I332 WeakPolarHBondContact O-CG1 3.48Å; L328-I332 PolarHBondContact O-N 2.96Å; L329-I332 HydrophobicContact CD2-CD1 4.29Å; I332-I334 VanDerWaalsContact C-N 3.32Å; I332-I334 PolarHBondContact O-N 2.79Å; I332-R336 WeakPolarHBondContact O-CA 3.43Å; I332-R336 PolarHBondContact O-N 2.9Å; I332-P337 HydrophobicContact CG2-CG 3.87Å; I332-P337 VanDerWaalsContact O-CD 3.25Å; I332-P337 WeakPolarHBondContact O-CD 3.07Å; I332-L340 HydrophobicContact CD1-CD1 4.29Å; I332-L340 HydrophobicContact CD1-CD2 3.85Å; I332-L340 HydrophobicContact CG1-CD1 4.42Å; I332-F402 VanDerWaalsContact CG2-CA 3.47Å; I332-F402 HydrophobicContact CG2-CB 4.24Å; I332-F402 HydrophobicContact CG2-CG 4.47Å
333E95.5Very high91.1Very high51 Ų5142.8 Ų42.824%0.23821%0.209CC..Hα-helixtrans-61.5-40.9-178.7-176.1165.7-158.400111.7L329 D331 R336 K401L329-E333 VanDerWaalsContact O-CB 3.29Å; L329-E333 WeakPolarHBondContact O-CB 3.36Å; L329-E333 PolarHBondContact O-N 3.4Å; D331-E333 VanDerWaalsContact C-N 3.33Å; D331-E333 PolarHBondContact O-N 3.12Å; E333-R336 WeakPolarHBondContact O-CG 3.29Å; E333-K401 WeakPolarHBondContact OE2-CD 3.32Å; E333-K401 WeakPolarHBondContact OE2-CE 3.31Å; E333-K401 IonicContact OE2-NZ 2.85Å; E333-K401 PolarHBondContact OE2-NZ 2.98Å
334I96.3Very high90.7Very high88 Ų8837.1 Ų37.145%0.45118%0.184SC..Hα-helixtrans-79.3-45.6-179.2-63.9-61.7000112.3Y87 D330 D331 I332 R336Y87-I334 HydrophobicContact CD2-CG2 4.06Å; Y87-I334 HydrophobicContact CE2-CG2 4.29Å; D330-I334 WeakPolarHBondContact O-CG1 3.14Å; D330-I334 PolarHBondContact O-N 3.14Å; D331-I334 PolarHBondContact O-N 3.26Å; I332-I334 VanDerWaalsContact C-N 3.32Å; I332-I334 PolarHBondContact O-N 2.79Å; I334-R336 VanDerWaalsContact C-N 3.27Å; I334-R336 PolarHBondContact O-N 3.26Å
335L97.3Very high90.3Very high7 Ų741.9 Ų41.94%0.03719%0.194CC..Hα-helixtrans-65.2-34.6179.7-174.458.4000111.7Y87 W89 V292 L294 D331 R405Y87-L335 HydrophobicContact CD1-CD1 4.28Å; Y87-L335 HydrophobicContact CD2-CB 4.26Å; Y87-L335 HydrophobicContact CD2-CD1 3.94Å; Y87-L335 HydrophobicContact CE1-CD1 4.13Å; Y87-L335 HydrophobicContact CE2-CB 3.51Å; Y87-L335 HydrophobicContact CE2-CD1 3.75Å; Y87-L335 HydrophobicContact CE2-CG 4.11Å; Y87-L335 HydrophobicContact CG-CD1 4.21Å; W89-L335 HydrophobicContact CH2-CD1 3.66Å; W89-L335 HydrophobicContact CZ2-CD1 3.56Å; V292-L335 HydrophobicContact CG1-CD1 3.67Å; V292-L335 HydrophobicContact CG1-CD2 4.29Å; V292-L335 HydrophobicContact CG1-CG 3.72Å; L294-L335 HydrophobicContact CB-CD2 3.71Å; L294-L335 HydrophobicContact CD1-CD2 3.52Å; L294-L335 HydrophobicContact CG-CD2 4.15Å; D331-L335 WeakPolarHBondContact O-CB 3.32Å; D331-L335 PolarHBondContact O-N 2.72Å; L335-R405 PolarHBondContact O-NH2 3.33Å; L335-R405 VanDerWaalsContact O-NH2 3.16Å
336R96.3Very high90.1Very high124 Ų12439.4 Ų39.447%0.46818%0.181SC..  trans52.164.4-174.5-52.3-177.3-55.1178.54.4112.1I332 E333 I334 G403 R405I332-R336 WeakPolarHBondContact O-CA 3.43Å; I332-R336 PolarHBondContact O-N 2.9Å; E333-R336 WeakPolarHBondContact O-CG 3.29Å; I334-R336 VanDerWaalsContact C-N 3.27Å; I334-R336 PolarHBondContact O-N 3.26Å; R336-G403 WeakPolarHBondContact CB-O 3.49Å; R336-G403 WeakPolarHBondContact CG-O 3.47Å; R336-R405 HydrophobicContact CB-CG 4.33Å; R336-R405 VanDerWaalsContact CB-NE 3.31Å; R336-R405 PolarHBondContact O-NE 2.9Å; R336-R405 PolarHBondContact O-NH2 3.48Å
337P96.1Very high90.1Very high0 Ų034.2 Ų34.20%015%0.154CC..  trans-60153.9-17826.4-33.7000112.4V292 I332 S339 L340 R405 V406V292-P337 CarbonylContact O-C 3.6Å; V292-P337 WeakPolarHBondContact O-CA 3.09Å; V292-P337 VanDerWaalsContact O-CB 3.27Å; V292-P337 WeakPolarHBondContact O-CB 3.16Å; I332-P337 HydrophobicContact CG2-CG 3.87Å; I332-P337 VanDerWaalsContact O-CD 3.25Å; I332-P337 WeakPolarHBondContact O-CD 3.07Å; P337-S339 WeakPolarHBondContact CB-O 3.41Å; P337-L340 HydrophobicContact CG-CD1 4.2Å; P337-R405 CarbonylContact O-C 3.49Å; P337-R405 WeakPolarHBondContact O-CB 3.19Å; P337-V406 HydrophobicContact CG-CG2 4.08Å; P337-V406 PolarHBondContact O-N 3.03Å
338T95.2Very high89.5Confident1 Ų130.9 Ų30.91%0.00615%0.147CC..SBendtrans-89-33.8177.153.20000111.9C15 F16 S291 V292 V406 C407C15-T338 HydrophobicContact CB-CG2 4.03Å; F16-T338 HydrophobicContact CZ-CG2 4.33Å; S291-T338 VanDerWaalsContact CA-OG1 3.27Å; S291-T338 WeakPolarHBondContact CA-OG1 3.41Å; S291-T338 WeakPolarHBondContact CB-OG1 3.25Å; V292-T338 HydrophobicContact CB-CG2 4.47Å; V292-T338 PolarHBondContact N-OG1 2.97Å; V292-T338 PolarHBondContact O-N 3.43Å; T338-V406 CarbonylContact O-C 3.47Å; T338-V406 WeakPolarHBondContact O-CA 3.43Å; T338-C407 PolarHBondContact O-N 3.28Å; T338-C407 PolarHBondContact O-SG 2.99Å
339S91.3Very high88.9Confident1 Ų135.7 Ų35.71%0.00716%0.164CC..EExtended strand (participates in β ladder)trans-130.6151.6172.450.50000107.2F287 P337F287-S339 WeakPolarHBondContact CE1-OG 3.41Å; P337-S339 WeakPolarHBondContact CB-O 3.41Å
340L91.9Very high88.5Confident1 Ų134.3 Ų34.31%0.00516%0.157CC..EExtended strand (participates in β ladder)trans-133.6120.8176.8-170.669.8000109.8L294 Y296 I332 P337 V342 F402 V406 C408 L409 V410L294-L340 HydrophobicContact CB-CD1 4.23Å; Y296-L340 HydrophobicContact CE1-CD1 4.42Å; I332-L340 HydrophobicContact CD1-CD1 4.29Å; I332-L340 HydrophobicContact CD1-CD2 3.85Å; I332-L340 HydrophobicContact CG1-CD1 4.42Å; P337-L340 HydrophobicContact CG-CD1 4.2Å; L340-V342 HydrophobicContact CB-CG1 4.37Å; L340-V342 HydrophobicContact CD2-CG1 3.51Å; L340-V342 HydrophobicContact CG-CG1 3.65Å; L340-V342 PolarHBondContact O-N 3.32Å; L340-F402 HydrophobicContact CD2-CD1 3.83Å; L340-F402 HydrophobicContact CD2-CE1 3.81Å; L340-V406 HydrophobicContact CB-CG1 4.44Å; L340-V406 HydrophobicContact CB-CG2 4.44Å; L340-C408 PolarHBondContact N-O 3.25Å; L340-L409 HydrophobicContact CB-CD2 3.89Å; L340-L409 HydrophobicContact CD2-CD2 4.43Å; L340-L409 WeakPolarHBondContact O-CA 3.38Å; L340-V410 PolarHBondContact O-N 2.83Å
341V91.4Very high88.1Confident9 Ų933.1 Ų33.16%0.05515%0.149CC..EExtended strand (participates in β ladder)trans-77.1117.2169.5-1680000107.8Y296 L297 M303 A307 V410Y296-V341 WeakPolarHBondContact CE1-O 3.47Å; Y296-V341 PolarHBondContact OH-O 3.42Å; L297-V341 HydrophobicContact CD1-CB 4.09Å; L297-V341 HydrophobicContact CD1-CG1 3.52Å; M303-V341 HydrophobicContact CE-CG1 3.26Å; M303-V341 HydrophobicContact CG-CG1 4.36Å; M303-V341 HydrophobicContact SD-CG1 3.91Å; A307-V341 HydrophobicContact CB-CG2 3.97Å; V341-V410 CarbonylContact C-O 3.59Å; V341-V410 VanDerWaalsContact CA-O 3.31Å; V341-V410 WeakPolarHBondContact CA-O 3.49Å; V341-V410 HydrophobicContact CG2-CB 4.37Å
342V87.3Confident87.3Confident1 Ų136.8 Ų36.81%0.00617%0.172CC..  trans-125.9119.6-177.9-66.30000110.1Y296 L340 L347 L409 V410 T411Y296-V342 WeakPolarHBondContact OH-CA 3.42Å; L340-V342 HydrophobicContact CB-CG1 4.37Å; L340-V342 HydrophobicContact CD2-CG1 3.51Å; L340-V342 HydrophobicContact CG-CG1 3.65Å; L340-V342 PolarHBondContact O-N 3.32Å; V342-L347 HydrophobicContact CG2-CD2 4.49Å; V342-L409 HydrophobicContact CG1-CD2 4.34Å; V342-L409 HydrophobicContact CG2-CB 4.07Å; V342-L409 HydrophobicContact CG2-CD1 4.23Å; V342-L409 HydrophobicContact CG2-CD2 4.32Å; V342-L409 HydrophobicContact CG2-CG 4.44Å; V342-V410 PolarHBondContact N-O 3.46Å; V342-T411 WeakPolarHBondContact O-CA 3.27Å; V342-T411 WeakPolarHBondContact O-CB 3.38Å; V342-T411 PolarHBondContact O-OG1 2.93Å
343V82.1Confident86.7Confident31 Ų3142.8 Ų42.819%0.18820%0.198CC..  trans-76.5150.7170.1-65.30000110.2L297 M303 R345 V346 L347L297-V343 HydrophobicContact CD1-CG1 4.18Å; L297-V343 HydrophobicContact CD2-CG1 3.76Å; L297-V343 HydrophobicContact CD2-CG2 4.16Å; M303-V343 HydrophobicContact SD-CG1 4.46Å; V343-R345 PolarHBondContact O-N 3.19Å; V343-R345 VanDerWaalsContact O-N 3.07Å; V343-V346 HydrophobicContact CG2-CB 4.12Å; V343-V346 HydrophobicContact CG2-CG2 3.67Å; V343-V346 PolarHBondContact O-N 3.2Å; V343-L347 PolarHBondContact O-N 2.91Å; V343-L347 VanDerWaalsContact O-N 3.14Å
344P78.4Confident86.4Confident14 Ų1441.8 Ų41.89%0.09119%0.192CC..Hα-helixtrans-52.8-35.6-176.6-31.236.4000114.6V346 L347 S348 G412 A414 L416P344-V346 PolarHBondContact O-N 3.34Å; P344-L347 PolarHBondContact O-N 2.65Å; P344-S348 WeakPolarHBondContact O-CB 3.37Å; P344-S348 PolarHBondContact O-N 3.29Å; P344-S348 PolarHBondContact O-OG 2.71Å; P344-G412 WeakPolarHBondContact CD-O 3.33Å; P344-A414 HydrophobicContact CG-CB 4.02Å; P344-A414 WeakPolarHBondContact CG-O 3.33Å; P344-L416 HydrophobicContact CB-CD1 4.29Å; P344-L416 HydrophobicContact CG-CD1 4.46Å
345R74.5Confident85.9Confident154 Ų15439.4 Ų39.458%0.58118%0.179SC*.Hα-helixtrans-64.6-36.5177.8-173.9177-176.8-168.21.8113.5V343 S348 R349V343-R345 PolarHBondContact O-N 3.19Å; V343-R345 VanDerWaalsContact O-N 3.07Å; R345-S348 WeakPolarHBondContact CA-OG 3.5Å; R345-S348 PolarHBondContact O-OG 3.22Å; R345-R349 WeakPolarHBondContact O-CG 3.31Å; R345-R349 PolarHBondContact O-N 2.95Å
346V80.1Confident85.4Confident14 Ų1444.5 Ų44.59%0.08521%0.206CC..Hα-helixtrans-72.7-45.3177171.20000109Y296 I325 L328 V343 P344 S348 R349 L350Y296-V346 HydrophobicContact CE2-CG2 4.2Å; I325-V346 HydrophobicContact CD1-CG2 4.12Å; L328-V346 HydrophobicContact CD2-CG1 3.78Å; V343-V346 HydrophobicContact CG2-CB 4.12Å; V343-V346 HydrophobicContact CG2-CG2 3.67Å; V343-V346 PolarHBondContact O-N 3.2Å; P344-V346 PolarHBondContact O-N 3.34Å; V346-S348 VanDerWaalsContact C-N 3.31Å; V346-S348 PolarHBondContact O-N 2.78Å; V346-R349 PolarHBondContact O-N 2.81Å; V346-L350 HydrophobicContact CG1-CD1 3.87Å; V346-L350 WeakPolarHBondContact O-CD1 3.47Å; V346-L350 VanDerWaalsContact O-CG 3.27Å; V346-L350 WeakPolarHBondContact O-CG 3.27Å; V346-L350 PolarHBondContact O-N 2.97Å
347L82.5Confident84.9Confident3 Ų342.6 Ų42.62%0.01622%0.217CC..Hα-helixtrans-62.5-36.8177.7-174.456.6000112.5V342 V343 P344 L350 Y351 L416 F423 A424V342-L347 HydrophobicContact CG2-CD2 4.49Å; V343-L347 PolarHBondContact O-N 2.91Å; V343-L347 VanDerWaalsContact O-N 3.14Å; P344-L347 PolarHBondContact O-N 2.65Å; L347-L350 PolarHBondContact O-N 3.07Å; L347-Y351 WeakPolarHBondContact O-CB 3.26Å; L347-Y351 PolarHBondContact O-N 3.14Å; L347-L416 HydrophobicContact CD2-CD1 3.79Å; L347-L416 HydrophobicContact CD2-CD2 4.45Å; L347-F423 HydrophobicContact CD1-CE1 4.38Å; L347-A424 HydrophobicContact CD1-CB 4.22Å; L347-A424 HydrophobicContact CD2-CB 3.86Å
348S76.9Confident84.5Confident39 Ų3943.5 Ų43.527%0.27322%0.222SC..Hα-helixtrans-67-44.917669.80000112.3P344 R345 V346 L350 Y351 T352P344-S348 WeakPolarHBondContact O-CB 3.37Å; P344-S348 PolarHBondContact O-N 3.29Å; P344-S348 PolarHBondContact O-OG 2.71Å; R345-S348 WeakPolarHBondContact CA-OG 3.5Å; R345-S348 PolarHBondContact O-OG 3.22Å; V346-S348 VanDerWaalsContact C-N 3.31Å; V346-S348 PolarHBondContact O-N 2.78Å; S348-L350 VanDerWaalsContact C-N 3.27Å; S348-L350 PolarHBondContact O-N 2.83Å; S348-Y351 WeakPolarHBondContact O-CB 3.3Å; S348-Y351 PolarHBondContact O-N 2.86Å; S348-Y351 VanDerWaalsContact O-N 3.14Å; S348-T352 PolarHBondContact O-N 2.58Å; S348-T352 PolarHBondContact O-OG1 2.87Å
349R76.7Confident84Confident115 Ų11544.6 Ų44.643%0.43423%0.233SC..Hα-helixtrans-57.6-41.6173.7-73.6177.475.5-171.34.7111.8R345 V346 K353R345-R349 WeakPolarHBondContact O-CG 3.31Å; R345-R349 PolarHBondContact O-N 2.95Å; V346-R349 PolarHBondContact O-N 2.81Å; R349-K353 WeakPolarHBondContact O-CG 3.29Å; R349-K353 PolarHBondContact O-N 3.08Å; R349-K353 VanDerWaalsContact O-N 3.14Å
350L83.7Confident83.7Confident19 Ų1950.7 Ų50.710%0.09927%0.266CS..Hα-helixtrans-67-40.8176.9-69.3162000111.8L329 V346 L347 S348 Y354 F402L329-L350 HydrophobicContact CD1-CD2 3.78Å; L329-L350 HydrophobicContact CD2-CD2 3.76Å; L329-L350 HydrophobicContact CG-CD2 3.95Å; V346-L350 HydrophobicContact CG1-CD1 3.87Å; V346-L350 WeakPolarHBondContact O-CD1 3.47Å; V346-L350 VanDerWaalsContact O-CG 3.27Å; V346-L350 WeakPolarHBondContact O-CG 3.27Å; V346-L350 PolarHBondContact O-N 2.97Å; L347-L350 PolarHBondContact O-N 3.07Å; S348-L350 VanDerWaalsContact C-N 3.27Å; S348-L350 PolarHBondContact O-N 2.83Å; L350-Y354 WeakPolarHBondContact O-CB 3.4Å; L350-Y354 PolarHBondContact O-N 2.7Å; L350-F402 HydrophobicContact CD1-CE1 4.23Å; L350-F402 HydrophobicContact CD1-CZ 3.6Å; L350-F402 HydrophobicContact CD2-CE2 4.32Å; L350-F402 HydrophobicContact CD2-CZ 4.08Å; L350-F402 HydrophobicContact CG-CZ 4.33Å
351Y84.6Confident83.4Confident23 Ų2353 Ų539%0.0928%0.282CS..Hα-helixtrans-60.5-50.9175.8178.4-111.7000111.7L347 S348 K353 Y354 Q355 E419 L420 F423L347-Y351 WeakPolarHBondContact O-CB 3.26Å; L347-Y351 PolarHBondContact O-N 3.14Å; S348-Y351 WeakPolarHBondContact O-CB 3.3Å; S348-Y351 PolarHBondContact O-N 2.86Å; S348-Y351 VanDerWaalsContact O-N 3.14Å; Y351-K353 PolarHBondContact O-N 2.92Å; Y351-Y354 WeakPolarHBondContact O-CB 3.46Å; Y351-Y354 PolarHBondContact O-N 3.17Å; Y351-Y354 VanDerWaalsContact O-N 3.12Å; Y351-Q355 HydrophobicContact CD1-CG 4.3Å; Y351-Q355 HydrophobicContact CD2-CG 4.23Å; Y351-Q355 HydrophobicContact CE1-CG 3.88Å; Y351-Q355 HydrophobicContact CE2-CG 3.81Å; Y351-Q355 HydrophobicContact CG-CG 4.47Å; Y351-Q355 VanDerWaalsContact CZ-NE2 3.33Å; Y351-Q355 WeakPolarHBondContact O-CG 3.18Å; Y351-Q355 PolarHBondContact O-N 3.44Å; Y351-Q355 PolarHBondContact OH-NE2 2.95Å; Y351-Q355 VanDerWaalsContact OH-NE2 3.12Å; Y351-E419 HydrophobicContact CE1-CG 4.1Å; Y351-E419 WeakPolarHBondContact OH-CG 3.36Å; Y351-E419 PolarHBondContact OH-OE1 3.29Å; Y351-L420 HydrophobicContact CD1-CD2 3.62Å; Y351-L420 HydrophobicContact CD2-CD2 4.27Å; Y351-L420 HydrophobicContact CE1-CD2 4.48Å; Y351-L420 HydrophobicContact CG-CD2 3.5Å; Y351-L420 VanDerWaalsContact CG-CD2 3.5Å; Y351-F423 HydrophobicContact CD2-CB 3.75Å; Y351-F423 AromaticContact CD2-CD1 3.56Å; Y351-F423 HydrophobicContact CD2-CD1 3.56Å; Y351-F423 AromaticContact CD2-CD2 3.72Å; Y351-F423 HydrophobicContact CD2-CD2 3.72Å; Y351-F423 HydrophobicContact CD2-CE1 4.02Å; Y351-F423 HydrophobicContact CD2-CE2 4.16Å; Y351-F423 AromaticContact CD2-CG 3.38Å; Y351-F423 HydrophobicContact CD2-CG 3.38Å; Y351-F423 HydrophobicContact CD2-CZ 4.28Å; Y351-F423 HydrophobicContact CE2-CB 3.7Å; Y351-F423 HydrophobicContact CE2-CD1 4.36Å; Y351-F423 AromaticContact CE2-CD2 3.88Å; Y351-F423 HydrophobicContact CE2-CD2 3.88Å; Y351-F423 AromaticContact CE2-CG 3.72Å; Y351-F423 HydrophobicContact CE2-CG 3.72Å; Y351-F423 HydrophobicContact CG-CD1 4.38Å
352T79.2Confident83.3Confident77 Ų7755.6 Ų55.647%0.47230%0.304SS..Hα-helixtrans-57.4-51.9177.9-56.60000110.9S348 Y354 Q355 D356S348-T352 PolarHBondContact O-N 2.58Å; S348-T352 PolarHBondContact O-OG1 2.87Å; T352-Y354 PolarHBondContact O-N 2.91Å; T352-Q355 PolarHBondContact O-N 3.07Å; T352-D356 PolarHBondContact O-N 3.01Å
353K83.6Confident83.3Confident126 Ų12662.5 Ų62.555%0.54834%0.338SS..Hα-helixtrans-55.9-37.7176.3-75.2-175.5176.3-173.10112.9R349 Y351 A357R349-K353 WeakPolarHBondContact O-CG 3.29Å; R349-K353 PolarHBondContact O-N 3.08Å; R349-K353 VanDerWaalsContact O-N 3.14Å; Y351-K353 PolarHBondContact O-N 2.92Å; K353-A357 WeakPolarHBondContact O-CB 3.24Å; K353-A357 PolarHBondContact O-N 3.16Å; K353-A357 VanDerWaalsContact O-N 3.09Å
354Y88.9Confident83.6Confident30 Ų3065.9 Ų65.912%0.11835%0.35CS..Hα-helixtrans-69.6-42.6177.2-178.7-91.3000112.2L350 Y351 T352 A357 L358 Y368 L394 F395 L398 F423L350-Y354 WeakPolarHBondContact O-CB 3.4Å; L350-Y354 PolarHBondContact O-N 2.7Å; Y351-Y354 WeakPolarHBondContact O-CB 3.46Å; Y351-Y354 PolarHBondContact O-N 3.17Å; Y351-Y354 VanDerWaalsContact O-N 3.12Å; T352-Y354 PolarHBondContact O-N 2.91Å; Y354-A357 PolarHBondContact O-N 3.48Å; Y354-L358 PolarHBondContact O-N 3.44Å; Y354-Y368 HydrophobicContact CE1-CD2 4.12Å; Y354-Y368 AromaticContact CE1-CE2 3.95Å; Y354-Y368 HydrophobicContact CE1-CE2 3.95Å; Y354-L394 VanDerWaalsContact OH-CD1 3.23Å; Y354-L394 WeakPolarHBondContact OH-CD1 3.37Å; Y354-L394 VanDerWaalsContact OH-CG 3.25Å; Y354-L394 WeakPolarHBondContact OH-CG 3.25Å; Y354-L394 PolarHBondContact OH-O 3.38Å; Y354-F395 HydrophobicContact CE1-CE1 4.15Å; Y354-F395 HydrophobicContact CE2-CD1 4.38Å; Y354-F395 AromaticContact CZ-CD1 3.92Å; Y354-F395 AromaticContact CZ-CE1 3.95Å; Y354-L398 HydrophobicContact CD2-CB 4.22Å; Y354-L398 HydrophobicContact CD2-CD1 4.19Å; Y354-L398 HydrophobicContact CD2-CD2 3.94Å; Y354-L398 HydrophobicContact CD2-CG 4.35Å; Y354-L398 HydrophobicContact CE2-CB 4.07Å; Y354-L398 HydrophobicContact CE2-CD2 4.07Å; Y354-F423 HydrophobicContact CD1-CD2 4.45Å; Y354-F423 AromaticContact CD1-CE2 3.55Å; Y354-F423 HydrophobicContact CD1-CE2 3.55Å; Y354-F423 HydrophobicContact CD1-CZ 4.14Å; Y354-F423 AromaticContact CE1-CE2 3.9Å; Y354-F423 HydrophobicContact CE1-CE2 3.9Å; Y354-F423 AromaticContact CG-CE2 3.94Å; Y354-F423 HydrophobicContact CG-CE2 3.94Å; Y354-F423 HydrophobicContact CG-CZ 4.08Å
355Q86.1Confident84.1Confident38 Ų3868.5 Ų68.518%0.17836%0.36CS..Hα-helixtrans-63.5-41.7175.8-69.8-61.6-23.100111.6Y351 T352 A357 L358 G359 Y368Y351-Q355 HydrophobicContact CD1-CG 4.3Å; Y351-Q355 HydrophobicContact CD2-CG 4.23Å; Y351-Q355 HydrophobicContact CE1-CG 3.88Å; Y351-Q355 HydrophobicContact CE2-CG 3.81Å; Y351-Q355 HydrophobicContact CG-CG 4.47Å; Y351-Q355 VanDerWaalsContact CZ-NE2 3.33Å; Y351-Q355 WeakPolarHBondContact O-CG 3.18Å; Y351-Q355 PolarHBondContact O-N 3.44Å; Y351-Q355 PolarHBondContact OH-NE2 2.95Å; Y351-Q355 VanDerWaalsContact OH-NE2 3.12Å; T352-Q355 PolarHBondContact O-N 3.07Å; Q355-A357 VanDerWaalsContact C-N 3.35Å; Q355-A357 PolarHBondContact O-N 2.86Å; Q355-L358 WeakPolarHBondContact O-CB 3.41Å; Q355-L358 PolarHBondContact O-N 3.43Å; Q355-L358 VanDerWaalsContact O-N 3.17Å; Q355-G359 PolarHBondContact O-N 3.19Å; Q355-Y368 VanDerWaalsContact NE2-CZ 3.28Å; Q355-Y368 PolarHBondContact NE2-OH 3.36Å
356D86.1Confident84.9Confident114 Ų11470.4 Ų70.461%0.6137%0.367SS*.Hα-helixtrans-61.7-44176.1-61.1-22.3000111.1T352 L358 G359T352-D356 PolarHBondContact O-N 3.01Å; D356-L358 VanDerWaalsContact C-N 3.31Å; D356-L358 PolarHBondContact O-N 2.93Å; D356-G359 WeakPolarHBondContact O-CA 3.47Å; D356-G359 PolarHBondContact O-N 3.36Å; D356-G359 VanDerWaalsContact O-N 3.08Å
357A87.3Confident85.4Confident85 Ų8572.4 Ų72.470%0.70238%0.378SS*.Hα-helixtrans-67.1-29.1176.400000113.3K353 Y354 Q355 G359K353-A357 WeakPolarHBondContact O-CB 3.24Å; K353-A357 PolarHBondContact O-N 3.16Å; K353-A357 VanDerWaalsContact O-N 3.09Å; Y354-A357 PolarHBondContact O-N 3.48Å; Q355-A357 VanDerWaalsContact C-N 3.35Å; Q355-A357 PolarHBondContact O-N 2.86Å; A357-G359 VanDerWaalsContact C-N 3.31Å
358L87Confident86Confident19 Ų1972.9 Ų72.910%0.09938%0.379CS..Hα-helixtrans-67.4-37171.3-172.368.7000110.6Y354 Q355 D356 K364 Y368 L394Y354-L358 PolarHBondContact O-N 3.44Å; Q355-L358 WeakPolarHBondContact O-CB 3.41Å; Q355-L358 PolarHBondContact O-N 3.43Å; Q355-L358 VanDerWaalsContact O-N 3.17Å; D356-L358 VanDerWaalsContact C-N 3.31Å; D356-L358 PolarHBondContact O-N 2.93Å; L358-K364 HydrophobicContact CD1-CB 4.04Å; L358-K364 HydrophobicContact CD1-CD 4.42Å; L358-K364 HydrophobicContact CG-CB 4.18Å; L358-K364 WeakPolarHBondContact O-CD 3.44Å; L358-K364 PolarHBondContact O-NZ 2.95Å; L358-Y368 HydrophobicContact CD2-CD2 4.19Å; L358-Y368 HydrophobicContact CD2-CG 3.92Å; L358-L394 HydrophobicContact CD1-CD1 4.07Å
359G85.5Confident86.7Confident23 Ų2375.7 Ų75.724%0.23739%0.391CS..  trans76.6-176.7178.600000113.8Q355 D356 A357 S361Q355-G359 PolarHBondContact O-N 3.19Å; D356-G359 WeakPolarHBondContact O-CA 3.47Å; D356-G359 PolarHBondContact O-N 3.36Å; D356-G359 VanDerWaalsContact O-N 3.08Å; A357-G359 VanDerWaalsContact C-N 3.31Å; G359-S361 PolarHBondContact O-N 3.15Å
360D83.7Confident87.5Confident129 Ų12976.6 Ų76.669%0.6940%0.396SS*.SBendtrans-87.60.7-169.8-75.3-45.8000116.4A362 K365D360-A362 PolarHBondContact O-N 3.03Å; D360-A362 VanDerWaalsContact O-N 3.12Å; D360-K365 IonicContact OD1-NZ 2.76Å; D360-K365 PolarHBondContact OD1-NZ 2.93Å
361S86.7Confident87.9Confident50 Ų5075.8 Ų75.835%0.3539%0.392SS..  trans-55.5118.6179.5174.80000111.8G359 M363 K364 K365G359-S361 PolarHBondContact O-N 3.15Å; S361-M363 PolarHBondContact O-N 3.05Å; S361-K364 PolarHBondContact O-N 3.48Å; S361-K365 PolarHBondContact O-N 3.49Å
362A88.4Confident88.4Confident63 Ų6375.3 Ų75.352%0.52139%0.391SS..Hα-helixtrans-56.7-36178.800000112.4D360 R366D360-A362 PolarHBondContact O-N 3.03Å; D360-A362 VanDerWaalsContact O-N 3.12Å; A362-R366 WeakPolarHBondContact O-CB 3.35Å; A362-R366 VanDerWaalsContact O-CG 3.27Å; A362-R366 WeakPolarHBondContact O-CG 3.24Å; A362-R366 PolarHBondContact O-N 3.23Å
363M88.6Confident89Confident147 Ų14779.3 Ų79.372%0.72440%0.402SS*.Hα-helixtrans-64.7-46.3175.7-175.3-178.76900111.6S361 R366 L367S361-M363 PolarHBondContact O-N 3.05Å; M363-R366 PolarHBondContact O-N 3Å; M363-L367 WeakPolarHBondContact O-CB 3.42Å; M363-L367 PolarHBondContact O-N 3.18Å
364K87.7Confident89.5Confident101 Ų10176.8 Ų76.844%0.43939%0.391SS..Hα-helixtrans-63.6-42.1177.2-68.4-176-178177.60111.7L358 S361 L367 Y368L358-K364 HydrophobicContact CD1-CB 4.04Å; L358-K364 HydrophobicContact CD1-CD 4.42Å; L358-K364 HydrophobicContact CG-CB 4.18Å; L358-K364 WeakPolarHBondContact O-CD 3.44Å; L358-K364 PolarHBondContact O-NZ 2.95Å; S361-K364 PolarHBondContact O-N 3.48Å; K364-L367 PolarHBondContact O-N 2.75Å; K364-Y368 WeakPolarHBondContact O-CB 3.38Å; K364-Y368 PolarHBondContact O-N 2.94Å
365K89.6Confident89.7Confident69 Ų6975.5 Ų75.530%0.339%0.386SS..Hα-helixtrans-63.3-42.8175.8-72.7-179176169.90112.3D360 S361 Y368 N369D360-K365 IonicContact OD1-NZ 2.76Å; D360-K365 PolarHBondContact OD1-NZ 2.93Å; S361-K365 PolarHBondContact O-N 3.49Å; K365-Y368 PolarHBondContact O-N 2.47Å; K365-N369 WeakPolarHBondContact O-CB 3.44Å; K365-N369 VanDerWaalsContact O-CG 3.31Å; K365-N369 PolarHBondContact O-N 3Å; K365-N369 PolarHBondContact O-ND2 2.99Å
366R91.1Very high90Very high194 Ų19475.4 Ų75.473%0.73239%0.386SS*.Hα-helixtrans-61.7-44.2173.9-76.4176.9-175.1179.52.6111.6A362 M363 N369 Y370A362-R366 WeakPolarHBondContact O-CB 3.35Å; A362-R366 VanDerWaalsContact O-CG 3.27Å; A362-R366 WeakPolarHBondContact O-CG 3.24Å; A362-R366 PolarHBondContact O-N 3.23Å; M363-R366 PolarHBondContact O-N 3Å; R366-N369 PolarHBondContact O-N 3.42Å; R366-Y370 WeakPolarHBondContact O-CB 3.32Å; R366-Y370 PolarHBondContact O-N 3.43Å
367L90.8Very high90.3Very high57 Ų5771.8 Ų71.830%0.29837%0.372SS..Hα-helixtrans-63.4-45.1177.1-179.960.7000111.7M363 K364 Y370 I371 L390 M393M363-L367 WeakPolarHBondContact O-CB 3.42Å; M363-L367 PolarHBondContact O-N 3.18Å; K364-L367 PolarHBondContact O-N 2.75Å; L367-Y370 PolarHBondContact O-N 3.27Å; L367-I371 HydrophobicContact CD1-CD1 3.77Å; L367-I371 HydrophobicContact CD1-CG1 4.18Å; L367-I371 HydrophobicContact CG-CD1 3.79Å; L367-I371 VanDerWaalsContact O-CG1 3.3Å; L367-I371 WeakPolarHBondContact O-CG1 3.42Å; L367-I371 PolarHBondContact O-N 3.43Å; L367-L390 HydrophobicContact CD1-CD2 4.38Å; L367-M393 HydrophobicContact CD2-CE 3.86Å
368Y93.3Very high90.5Very high12 Ų1268.9 Ų68.95%0.04734%0.344CS..Hα-helixtrans-55.9-53.5174.2168.4-95.7000111.3Y354 Q355 L358 K364 K365 Y370 I371 V372 L394 F395 F423Y354-Y368 HydrophobicContact CE1-CD2 4.12Å; Y354-Y368 AromaticContact CE1-CE2 3.95Å; Y354-Y368 HydrophobicContact CE1-CE2 3.95Å; Q355-Y368 VanDerWaalsContact NE2-CZ 3.28Å; Q355-Y368 PolarHBondContact NE2-OH 3.36Å; L358-Y368 HydrophobicContact CD2-CD2 4.19Å; L358-Y368 HydrophobicContact CD2-CG 3.92Å; K364-Y368 WeakPolarHBondContact O-CB 3.38Å; K364-Y368 PolarHBondContact O-N 2.94Å; K365-Y368 PolarHBondContact O-N 2.47Å; Y368-Y370 VanDerWaalsContact C-N 3.3Å; Y368-Y370 PolarHBondContact O-N 2.78Å; Y368-I371 PolarHBondContact O-N 2.84Å; Y368-I371 VanDerWaalsContact O-N 3.14Å; Y368-V372 HydrophobicContact CD1-CG2 4.4Å; Y368-V372 HydrophobicContact CD2-CG2 4.16Å; Y368-V372 HydrophobicContact CE1-CG2 3.98Å; Y368-V372 HydrophobicContact CE2-CG2 3.7Å; Y368-V372 HydrophobicContact CG-CG2 4.47Å; Y368-V372 WeakPolarHBondContact O-CG2 3.47Å; Y368-V372 PolarHBondContact O-N 3.35Å; Y368-L394 HydrophobicContact CD2-CD1 4.45Å; Y368-L394 HydrophobicContact CD2-CD2 3.97Å; Y368-F395 HydrophobicContact CE2-CE1 4.2Å; Y368-F395 HydrophobicContact CE2-CZ 4.17Å; Y368-F423 HydrophobicContact CE2-CD2 4.19Å; Y368-F423 WeakPolarHBondContact OH-CD2 3.49Å
369N92.7Very high90.7Very high99 Ų9968.1 Ų68.153%0.52934%0.34SS..Hα-helixtrans-60.2-39.8179.6-73.4-25.4000112.3K365 R366 K373K365-N369 WeakPolarHBondContact O-CB 3.44Å; K365-N369 VanDerWaalsContact O-CG 3.31Å; K365-N369 PolarHBondContact O-N 3Å; K365-N369 PolarHBondContact O-ND2 2.99Å; R366-N369 PolarHBondContact O-N 3.42Å; N369-K373 VanDerWaalsContact O-CB 3.31Å; N369-K373 WeakPolarHBondContact O-CB 3.32Å; N369-K373 PolarHBondContact O-N 3.22Å
370Y93.7Very high90.9Very high133 Ų13373.7 Ų73.752%0.52236%0.357SS..Hα-helixtrans-61.7-47.7174.8172.3-97.8000111.7R366 L367 Y368 K373 K374 L390R366-Y370 WeakPolarHBondContact O-CB 3.32Å; R366-Y370 PolarHBondContact O-N 3.43Å; L367-Y370 PolarHBondContact O-N 3.27Å; Y368-Y370 VanDerWaalsContact C-N 3.3Å; Y368-Y370 PolarHBondContact O-N 2.78Å; Y370-K373 PolarHBondContact O-N 3.35Å; Y370-K374 HydrophobicContact CE1-CD 4.3Å; Y370-K374 VanDerWaalsContact O-CB 3.32Å; Y370-K374 WeakPolarHBondContact O-CB 3.42Å; Y370-K374 PolarHBondContact O-N 3.12Å; Y370-L390 HydrophobicContact CE1-CD1 4.18Å
371I92.6Very high91.3Very high3 Ų375.7 Ų75.72%0.01536%0.355CS..Hα-helixtrans-65.3-46.3-179.8-66.8164.8000110.4L367 Y368 K373 K374 K375 L390 L394 F395L367-I371 HydrophobicContact CD1-CD1 3.77Å; L367-I371 HydrophobicContact CD1-CG1 4.18Å; L367-I371 HydrophobicContact CG-CD1 3.79Å; L367-I371 VanDerWaalsContact O-CG1 3.3Å; L367-I371 WeakPolarHBondContact O-CG1 3.42Å; L367-I371 PolarHBondContact O-N 3.43Å; Y368-I371 PolarHBondContact O-N 2.84Å; Y368-I371 VanDerWaalsContact O-N 3.14Å; I371-K373 PolarHBondContact O-N 3.37Å; I371-K374 WeakPolarHBondContact O-CB 2.93Å; I371-K374 PolarHBondContact O-N 3.02Å; I371-K375 HydrophobicContact CG2-CG 4.16Å; I371-K375 WeakPolarHBondContact O-CG 3.32Å; I371-K375 PolarHBondContact O-N 2.86Å; I371-L390 HydrophobicContact CD1-CB 3.89Å; I371-L390 HydrophobicContact CG1-CB 4.15Å; I371-L394 HydrophobicContact CB-CD2 3.74Å; I371-L394 HydrophobicContact CD1-CB 3.84Å; I371-L394 HydrophobicContact CD1-CD2 3.54Å; I371-L394 HydrophobicContact CD1-CG 4.21Å; I371-L394 HydrophobicContact CG1-CD2 4.23Å; I371-L394 HydrophobicContact CG2-CD2 3.76Å; I371-F395 HydrophobicContact CG2-CD2 4.49Å; I371-F395 HydrophobicContact CG2-CE2 3.93Å
372V93.4Very high91.3Very high12 Ų1273.8 Ų73.87%0.07334%0.344CS..Hα-helixtrans-56.5-51.1176.21710000110.9Y368 K374 K375 L376 F395 K422 A426Y368-V372 HydrophobicContact CD1-CG2 4.4Å; Y368-V372 HydrophobicContact CD2-CG2 4.16Å; Y368-V372 HydrophobicContact CE1-CG2 3.98Å; Y368-V372 HydrophobicContact CE2-CG2 3.7Å; Y368-V372 HydrophobicContact CG-CG2 4.47Å; Y368-V372 WeakPolarHBondContact O-CG2 3.47Å; Y368-V372 PolarHBondContact O-N 3.35Å; V372-K374 VanDerWaalsContact C-N 3.3Å; V372-K374 PolarHBondContact O-N 3.48Å; V372-K375 PolarHBondContact O-N 2.95Å; V372-L376 HydrophobicContact CG1-CD1 4.02Å; V372-L376 WeakPolarHBondContact O-CG 3.47Å; V372-L376 PolarHBondContact O-N 3.18Å; V372-F395 HydrophobicContact CG2-CZ 4.18Å; V372-K422 HydrophobicContact CG1-CB 4.23Å; V372-A426 HydrophobicContact CB-CB 4.16Å; V372-A426 HydrophobicContact CG1-CB 4.09Å; V372-A426 HydrophobicContact CG2-CB 3.88Å
373K93.5Very high91.3Very high162 Ų16274.2 Ų74.270%0.70433%0.334SS*.Hα-helixtrans-58.6-42.1178-174.7177-179.2178.30111.9N369 Y370 I371 A377N369-K373 VanDerWaalsContact O-CB 3.31Å; N369-K373 WeakPolarHBondContact O-CB 3.32Å; N369-K373 PolarHBondContact O-N 3.22Å; Y370-K373 PolarHBondContact O-N 3.35Å; I371-K373 PolarHBondContact O-N 3.37Å; K373-A377 WeakPolarHBondContact O-CB 3.41Å; K373-A377 PolarHBondContact O-N 2.83Å; K373-A377 VanDerWaalsContact O-N 3.09Å
374K93.2Very high91.1Very high72 Ų7267.2 Ų67.231%0.31330%0.299SS..Hα-helixtrans-63.2-46.1176.8-178.1179.7177.41780111.7Y370 I371 V372 L376 A377 E378Y370-K374 HydrophobicContact CE1-CD 4.3Å; Y370-K374 VanDerWaalsContact O-CB 3.32Å; Y370-K374 WeakPolarHBondContact O-CB 3.42Å; Y370-K374 PolarHBondContact O-N 3.12Å; I371-K374 WeakPolarHBondContact O-CB 2.93Å; I371-K374 PolarHBondContact O-N 3.02Å; V372-K374 VanDerWaalsContact C-N 3.3Å; V372-K374 PolarHBondContact O-N 3.48Å; K374-L376 PolarHBondContact O-N 2.64Å; K374-A377 PolarHBondContact O-N 3.42Å; K374-E378 WeakPolarHBondContact CE-OE1 3.27Å; K374-E378 WeakPolarHBondContact O-CG 3.38Å; K374-E378 PolarHBondContact O-N 2.99Å
375K92.2Very high90.7Very high3 Ų364.7 Ų64.71%0.01329%0.287CS..Hα-helixtrans-61-43.9178.8-72.1-55-56.3160.50111.8I371 V372 A377 E378 Q379 Y385 D391 A426I371-K375 HydrophobicContact CG2-CG 4.16Å; I371-K375 WeakPolarHBondContact O-CG 3.32Å; I371-K375 PolarHBondContact O-N 2.86Å; V372-K375 PolarHBondContact O-N 2.95Å; K375-A377 VanDerWaalsContact C-N 3.35Å; K375-A377 PolarHBondContact O-N 2.77Å; K375-E378 WeakPolarHBondContact CD-OE2 3.34Å; K375-E378 IonicContact NZ-OE2 3.77Å; K375-E378 PolarHBondContact NZ-OE2 2.82Å; K375-E378 WeakPolarHBondContact O-CB 3.24Å; K375-E378 PolarHBondContact O-N 2.99Å; K375-Q379 WeakPolarHBondContact O-CG 3.12Å; K375-Q379 PolarHBondContact O-N 3.17Å; K375-Y385 PolarHBondContact NZ-O 2.76Å; K375-D391 HydrophobicContact CD-CB 4.49Å; K375-A426 HydrophobicContact CB-CB 3.89Å; K375-A426 HydrophobicContact CG-CB 4.23Å
376L92.3Very high90.2Very high37 Ų3762.5 Ų62.519%0.19428%0.278CS..Hα-helixtrans-63.7-40.6176.5-63.9171.8000111.8V372 K374 E378 Q379 K380 K422 H425V372-L376 HydrophobicContact CG1-CD1 4.02Å; V372-L376 WeakPolarHBondContact O-CG 3.47Å; V372-L376 PolarHBondContact O-N 3.18Å; K374-L376 PolarHBondContact O-N 2.64Å; L376-E378 VanDerWaalsContact C-N 3.32Å; L376-E378 PolarHBondContact O-N 2.91Å; L376-Q379 PolarHBondContact O-N 3.37Å; L376-K380 PolarHBondContact O-N 3.45Å; L376-K422 HydrophobicContact CD1-CB 4.12Å; L376-K422 HydrophobicContact CD1-CD 4.45Å; L376-K422 HydrophobicContact CD1-CG 3.79Å; L376-H425 HydrophobicContact CD2-CB 3.76Å
377A92.7Very high89.3Confident37 Ų3759.2 Ų59.231%0.30627%0.266SS..Hα-helixtrans-66.5-31174.900000113.2K373 K374 K375 R381K373-A377 WeakPolarHBondContact O-CB 3.41Å; K373-A377 PolarHBondContact O-N 2.83Å; K373-A377 VanDerWaalsContact O-N 3.09Å; K374-A377 PolarHBondContact O-N 3.42Å; K375-A377 VanDerWaalsContact C-N 3.35Å; K375-A377 PolarHBondContact O-N 2.77Å; A377-R381 WeakPolarHBondContact O-CG 3.44Å
378E91.5Very high88.9Confident25 Ų2558.1 Ų58.112%0.11726%0.263CS..Hα-helixtrans-66.8-45.1171.4-73.9171.9174.700111.3K374 K375 L376 K380 R381 G382 K383K374-E378 WeakPolarHBondContact CE-OE1 3.27Å; K374-E378 WeakPolarHBondContact O-CG 3.38Å; K374-E378 PolarHBondContact O-N 2.99Å; K375-E378 WeakPolarHBondContact CD-OE2 3.34Å; K375-E378 IonicContact NZ-OE2 3.77Å; K375-E378 PolarHBondContact NZ-OE2 2.82Å; K375-E378 WeakPolarHBondContact O-CB 3.24Å; K375-E378 PolarHBondContact O-N 2.99Å; L376-E378 VanDerWaalsContact C-N 3.32Å; L376-E378 PolarHBondContact O-N 2.91Å; E378-K380 PolarHBondContact O-N 3.24Å; E378-R381 CarbonylContact O-C 3.59Å; E378-R381 WeakPolarHBondContact O-CA 3.42Å; E378-R381 WeakPolarHBondContact O-CB 3.34Å; E378-R381 PolarHBondContact O-N 3.42Å; E378-G382 PolarHBondContact O-N 3.31Å; E378-K383 CarbonylContact C-O 3.46Å; E378-K383 HydrophobicContact CB-CB 4.11Å; E378-K383 WeakPolarHBondContact O-CB 3.15Å; E378-K383 PolarHBondContact O-N 2.76Å
379Q91.4Very high88.5Confident2 Ų263.4 Ų63.41%0.00930%0.296CS..Hα-helixtrans-64.3-38.9178.8-69-175.521.100112.7K375 L376 R381 G382 F384 H425K375-Q379 WeakPolarHBondContact O-CG 3.12Å; K375-Q379 PolarHBondContact O-N 3.17Å; L376-Q379 PolarHBondContact O-N 3.37Å; Q379-R381 PolarHBondContact O-N 2.9Å; Q379-R381 VanDerWaalsContact O-N 3.1Å; Q379-G382 WeakPolarHBondContact O-CA 3.45Å; Q379-G382 PolarHBondContact O-N 2.86Å; Q379-F384 HydrophobicContact CB-CD1 4.32Å; Q379-F384 HydrophobicContact CB-CE1 3.86Å; Q379-F384 HydrophobicContact CB-CZ 4.29Å; Q379-F384 HydrophobicContact CG-CD1 3.66Å; Q379-F384 HydrophobicContact CG-CE1 3.68Å; Q379-F384 HydrophobicContact CG-CG 4.5Å; Q379-H425 PolarHBondContact NE2-O 2.88Å; Q379-H425 PolarHBondContact OE1-ND1 3.29Å
380K91Very high88.2Confident140 Ų14061.6 Ų61.661%0.60929%0.286SS*.THydrogen-bonded Turntrans-56.7-25170.9-178.3166.1-174.6176.30113.2L376 E378 Y452L376-K380 PolarHBondContact O-N 3.45Å; E378-K380 PolarHBondContact O-N 3.24Å; K380-Y452 HydrophobicContact CB-CD2 3.74Å; K380-Y452 HydrophobicContact CB-CE2 3.89Å; K380-Y452 HydrophobicContact CB-CG 4.29Å; K380-Y452 HydrophobicContact CD-CD2 4.45Å; K380-Y452 HydrophobicContact CD-CE2 3.85Å; K380-Y452 HydrophobicContact CG-CD2 3.95Å; K380-Y452 HydrophobicContact CG-CE2 3.53Å
381R90.3Very high88Confident172 Ų17255.2 Ų55.265%0.64926%0.261SS*.THydrogen-bonded Turntrans-96.414.6174.1-57.1178.4-149.9135.10.1112.9A377 E378 Q379A377-R381 WeakPolarHBondContact O-CG 3.44Å; E378-R381 CarbonylContact O-C 3.59Å; E378-R381 WeakPolarHBondContact O-CA 3.42Å; E378-R381 WeakPolarHBondContact O-CB 3.34Å; E378-R381 PolarHBondContact O-N 3.42Å; Q379-R381 PolarHBondContact O-N 2.9Å; Q379-R381 VanDerWaalsContact O-N 3.1Å
382G88.1Confident87.8Confident10 Ų1058.7 Ų58.710%0.10328%0.282CS..THydrogen-bonded Turntrans75.218.2-179.600000115.5E378 Q379E378-G382 PolarHBondContact O-N 3.31Å; Q379-G382 WeakPolarHBondContact O-CA 3.45Å; Q379-G382 PolarHBondContact O-N 2.86Å
383K87.2Confident87.5Confident72 Ų7264 Ų6431%0.31331%0.308SS..  trans-104.9103.3-176.5-64.1175.1171.1-170.60111.3E378 Y385E378-K383 CarbonylContact C-O 3.46Å; E378-K383 HydrophobicContact CB-CB 4.11Å; E378-K383 WeakPolarHBondContact O-CB 3.15Å; E378-K383 PolarHBondContact O-N 2.76Å; K383-Y385 HydrophobicContact CB-CD1 4.28Å; K383-Y385 HydrophobicContact CB-CE1 3.76Å; K383-Y385 HydrophobicContact CD-CE1 4.12Å; K383-Y385 WeakPolarHBondContact CD-OH 3.31Å; K383-Y385 HydrophobicContact CG-CE1 3.82Å
384F86.1Confident87.4Confident0 Ų057.3 Ų57.30%028%0.28CS..  trans-10413.4-178.2-62.5-85.2000114.4P9 F24 I25 Q379 P430 G450P9-F384 HydrophobicContact CB-CB 4.36Å; P9-F384 HydrophobicContact CG-CB 3.85Å; F24-F384 HydrophobicContact CD1-CD2 4.35Å; F24-F384 HydrophobicContact CE1-CD2 4.45Å; I25-F384 HydrophobicContact CD1-CE2 4.13Å; I25-F384 HydrophobicContact CG1-CE2 4.06Å; Q379-F384 HydrophobicContact CB-CD1 4.32Å; Q379-F384 HydrophobicContact CB-CE1 3.86Å; Q379-F384 HydrophobicContact CB-CZ 4.29Å; Q379-F384 HydrophobicContact CG-CD1 3.66Å; Q379-F384 HydrophobicContact CG-CE1 3.68Å; Q379-F384 HydrophobicContact CG-CG 4.5Å; F384-P430 HydrophobicContact CB-CG 4.17Å; F384-P430 HydrophobicContact CD1-CB 4.38Å; F384-P430 HydrophobicContact CD1-CG 3.62Å; F384-P430 HydrophobicContact CE1-CG 4.23Å; F384-P430 HydrophobicContact CG-CG 3.96Å; F384-G450 WeakPolarHBondContact CZ-O 3.38Å
385Y78.1Confident87.3Confident47 Ų4753.9 Ų53.918%0.18427%0.265CS..  trans-86.5145.2-178.654.4-102.6000113.4K375 K383 R387K375-Y385 PolarHBondContact NZ-O 2.76Å; K383-Y385 HydrophobicContact CB-CD1 4.28Å; K383-Y385 HydrophobicContact CB-CE1 3.76Å; K383-Y385 HydrophobicContact CD-CE1 4.12Å; K383-Y385 WeakPolarHBondContact CD-OH 3.31Å; K383-Y385 HydrophobicContact CG-CE1 3.82Å; Y385-R387 HydrophobicContact CD2-CB 4.12Å; Y385-R387 HydrophobicContact CD2-CG 3.94Å; Y385-R387 HydrophobicContact CG-CG 4.47Å
386H79.3Confident87.3Confident23 Ų2354.7 Ų54.711%0.10627%0.274CS..  trans-107.582.1178.7-62.2-48.3000109.4N10 D391 F428 G429N10-H386 PolarHBondContact ND2-O 2.96Å; N10-H386 VanDerWaalsContact ND2-O 3.16Å; H386-D391 WeakPolarHBondContact CA-OD2 3.33Å; H386-D391 VanDerWaalsContact CB-OD2 3.25Å; H386-D391 WeakPolarHBondContact CB-OD2 3.36Å; H386-D391 IonicContact ND1-OD1 2.81Å; H386-F428 PolarHBondContact NE2-O 3.39Å; H386-G429 PolarHBondContact NE2-N 2.86Å
387R72.5Confident87.2Confident125 Ų12561.6 Ų61.647%0.47230%0.303SS..  trans-122-21.8-173.2-67.9-173.9-176.7-158.7-3.3115.2N10 Y385N10-R387 WeakPolarHBondContact ND2-CG 3.49Å; N10-R387 PolarHBondContact ND2-NE 3.08Å; N10-R387 PolarHBondContact OD1-NE 3.47Å; N10-R387 PolarHBondContact OD1-NH2 3.45Å; Y385-R387 HydrophobicContact CD2-CB 4.12Å; Y385-R387 HydrophobicContact CD2-CG 3.94Å; Y385-R387 HydrophobicContact CG-CG 4.47Å
388S82.2Confident87.2Confident35 Ų3560.8 Ų60.825%0.24529%0.293CS..  trans-68.2145.7-174.280.40000110.2L390 D391 T392S388-L390 PolarHBondContact O-N 2.94Å; S388-D391 PolarHBondContact O-N 3.38Å; S388-D391 WeakPolarHBondContact OG-CB 3.4Å; S388-D391 PolarHBondContact OG-N 3.08Å; S388-T392 PolarHBondContact O-N 2.69Å; S388-T392 PolarHBondContact O-OG1 2.99Å; S388-T392 VanDerWaalsContact O-OG1 3.06Å
389V85.1Confident87.2Confident122 Ų12261.5 Ų61.574%0.73930%0.295SS*.Hα-helixtrans-55.2-42.3176.3177.30000110.2T392 M393V389-T392 PolarHBondContact O-N 3.43Å; V389-M393 VanDerWaalsContact O-CB 3.3Å; V389-M393 WeakPolarHBondContact O-CB 3.24Å; V389-M393 PolarHBondContact O-N 3.03Å
390L87Confident87.3Confident61 Ų6168.2 Ų68.232%0.31932%0.324SS..Hα-helixtrans-62.5-44.5177.9-66.3-179.2000113.1L367 Y370 I371 S388 M393 L394L367-L390 HydrophobicContact CD1-CD2 4.38Å; Y370-L390 HydrophobicContact CE1-CD1 4.18Å; I371-L390 HydrophobicContact CD1-CB 3.89Å; I371-L390 HydrophobicContact CG1-CB 4.15Å; S388-L390 PolarHBondContact O-N 2.94Å; L390-M393 HydrophobicContact CD2-CE 4.23Å; L390-M393 PolarHBondContact O-N 3.31Å; L390-L394 VanDerWaalsContact O-CB 3.31Å; L390-L394 WeakPolarHBondContact O-CB 3.41Å; L390-L394 PolarHBondContact O-N 3.26Å
391D88.8Confident87.4Confident0 Ų065.8 Ų65.80%031%0.313CS..Hα-helixtrans-63.7-43.4175161.476.8000111.6K375 H386 S388 M393 L394 F395 R399K375-D391 HydrophobicContact CD-CB 4.49Å; H386-D391 WeakPolarHBondContact CA-OD2 3.33Å; H386-D391 VanDerWaalsContact CB-OD2 3.25Å; H386-D391 WeakPolarHBondContact CB-OD2 3.36Å; H386-D391 IonicContact ND1-OD1 2.81Å; S388-D391 PolarHBondContact O-N 3.38Å; S388-D391 WeakPolarHBondContact OG-CB 3.4Å; S388-D391 PolarHBondContact OG-N 3.08Å; D391-M393 VanDerWaalsContact C-N 3.34Å; D391-M393 PolarHBondContact O-N 3.31Å; D391-L394 PolarHBondContact O-N 3.34Å; D391-F395 PolarHBondContact O-N 2.88Å; D391-F395 WeakPolarHBondContact OD1-CD2 3.14Å; D391-R399 VanDerWaalsContact CG-NH2 3.35Å; D391-R399 PolarHBondContact O-NH2 2.63Å; D391-R399 IonicContact OD1-CZ 3.5Å; D391-R399 IonicContact OD1-NH1 3.7Å; D391-R399 PolarHBondContact OD1-NH1 3.36Å; D391-R399 IonicContact OD1-NH2 2.78Å; D391-R399 PolarHBondContact OD1-NH2 2.88Å; D391-R399 IonicContact OD2-CZ 3.62Å; D391-R399 IonicContact OD2-NH1 3.76Å; D391-R399 PolarHBondContact OD2-NH1 2.92Å; D391-R399 IonicContact OD2-NH2 3.75Å; D391-R399 PolarHBondContact OD2-NH2 3.44Å
392T88Confident87.5Confident75 Ų7557.7 Ų57.746%0.4628%0.283SS..Hα-helixtrans-64.6-41.2179-56.50000111.2S388 V389 G396S388-T392 PolarHBondContact O-N 2.69Å; S388-T392 PolarHBondContact O-OG1 2.99Å; S388-T392 VanDerWaalsContact O-OG1 3.06Å; V389-T392 PolarHBondContact O-N 3.43Å; T392-G396 WeakPolarHBondContact O-CA 3.29Å; T392-G396 PolarHBondContact O-N 2.76Å
393M87.7Confident87.8Confident124 Ų12457.8 Ų57.861%0.61128%0.284SS*.Hα-helixtrans-65.3-40.1176.6-171.9-179.671.500112L367 V389 L390 D391L367-M393 HydrophobicContact CD2-CE 3.86Å; V389-M393 VanDerWaalsContact O-CB 3.3Å; V389-M393 WeakPolarHBondContact O-CB 3.24Å; V389-M393 PolarHBondContact O-N 3.03Å; L390-M393 HydrophobicContact CD2-CE 4.23Å; L390-M393 PolarHBondContact O-N 3.31Å; D391-M393 VanDerWaalsContact C-N 3.34Å; D391-M393 PolarHBondContact O-N 3.31Å
394L90Very high88Confident21 Ų2156.1 Ų56.111%0.1129%0.287CS..Hα-helixtrans-80.3-49-176-176.466.7000113.1Y354 L358 Y368 I371 L390 D391Y354-L394 VanDerWaalsContact OH-CD1 3.23Å; Y354-L394 WeakPolarHBondContact OH-CD1 3.37Å; Y354-L394 VanDerWaalsContact OH-CG 3.25Å; Y354-L394 WeakPolarHBondContact OH-CG 3.25Å; Y354-L394 PolarHBondContact OH-O 3.38Å; L358-L394 HydrophobicContact CD1-CD1 4.07Å; Y368-L394 HydrophobicContact CD2-CD1 4.45Å; Y368-L394 HydrophobicContact CD2-CD2 3.97Å; I371-L394 HydrophobicContact CB-CD2 3.74Å; I371-L394 HydrophobicContact CD1-CB 3.84Å; I371-L394 HydrophobicContact CD1-CD2 3.54Å; I371-L394 HydrophobicContact CD1-CG 4.21Å; I371-L394 HydrophobicContact CG1-CD2 4.23Å; I371-L394 HydrophobicContact CG2-CD2 3.76Å; L390-L394 VanDerWaalsContact O-CB 3.31Å; L390-L394 WeakPolarHBondContact O-CB 3.41Å; L390-L394 PolarHBondContact O-N 3.26Å; D391-L394 PolarHBondContact O-N 3.34Å
395F92Very high88.3Confident0 Ų059.1 Ų59.10%030%0.298CS..Hα-helixtrans-108.7-6.2-171.5-64.7-57.4000113.7Y354 Y368 I371 V372 D391 K397 L398 R399 F423 A426 A427Y354-F395 HydrophobicContact CE1-CE1 4.15Å; Y354-F395 HydrophobicContact CE2-CD1 4.38Å; Y354-F395 AromaticContact CZ-CD1 3.92Å; Y354-F395 AromaticContact CZ-CE1 3.95Å; Y368-F395 HydrophobicContact CE2-CE1 4.2Å; Y368-F395 HydrophobicContact CE2-CZ 4.17Å; I371-F395 HydrophobicContact CG2-CD2 4.49Å; I371-F395 HydrophobicContact CG2-CE2 3.93Å; V372-F395 HydrophobicContact CG2-CZ 4.18Å; D391-F395 PolarHBondContact O-N 2.88Å; D391-F395 WeakPolarHBondContact OD1-CD2 3.14Å; F395-K397 PolarHBondContact O-N 3.12Å; F395-L398 HydrophobicContact CD1-CD2 4.2Å; F395-L398 WeakPolarHBondContact O-CB 3.35Å; F395-L398 PolarHBondContact O-N 2.89Å; F395-R399 VanDerWaalsContact CB-NH1 3.26Å; F395-R399 PolarHBondContact O-N 3.29Å; F395-F423 HydrophobicContact CE1-CD2 4.3Å; F395-F423 HydrophobicContact CE1-CE2 4.02Å; F395-A426 HydrophobicContact CE2-CB 4.1Å; F395-A426 HydrophobicContact CZ-CB 4.1Å; F395-A427 HydrophobicContact CD1-CB 3.63Å; F395-A427 HydrophobicContact CE1-CB 3.75Å; F395-A427 HydrophobicContact CG-CB 4.05Å; F395-A427 HydrophobicContact CZ-CB 4.25Å
396G91.3Very high89Confident21 Ų2157.5 Ų57.522%0.21629%0.293CS..Hα-helixtrans-59.6-44.4-176.900000113.8T392 R399 K400T392-G396 WeakPolarHBondContact O-CA 3.29Å; T392-G396 PolarHBondContact O-N 2.76Å; G396-R399 PolarHBondContact O-N 3.11Å; G396-K400 WeakPolarHBondContact O-CB 3.41Å; G396-K400 PolarHBondContact O-N 3.47Å
397K91.1Very high89.5Confident181 Ų18156.5 Ų56.579%0.78729%0.289SS*.Hα-helixtrans-63.6-41.9176.2-69.6-174.5179.7-178.40111.9F395 K400 K401F395-K397 PolarHBondContact O-N 3.12Å; K397-K400 PolarHBondContact O-N 3.37Å; K397-K401 PolarHBondContact O-N 2.71Å; K397-K401 VanDerWaalsContact O-N 3.07Å
398L92.2Very high90.3Very high21 Ų2150.6 Ų50.611%0.1127%0.266CS..Hα-helixtrans-60.7-52.2175.8178.366.2000110.5Y354 F395 K400 K401 F402 F423 A427 F428Y354-L398 HydrophobicContact CD2-CB 4.22Å; Y354-L398 HydrophobicContact CD2-CD1 4.19Å; Y354-L398 HydrophobicContact CD2-CD2 3.94Å; Y354-L398 HydrophobicContact CD2-CG 4.35Å; Y354-L398 HydrophobicContact CE2-CB 4.07Å; Y354-L398 HydrophobicContact CE2-CD2 4.07Å; F395-L398 HydrophobicContact CD1-CD2 4.2Å; F395-L398 WeakPolarHBondContact O-CB 3.35Å; F395-L398 PolarHBondContact O-N 2.89Å; L398-K400 VanDerWaalsContact C-N 3.26Å; L398-K400 PolarHBondContact O-N 3.04Å; L398-K401 WeakPolarHBondContact O-CB 3.5Å; L398-K401 PolarHBondContact O-N 3.11Å; L398-K401 VanDerWaalsContact O-N 3.07Å; L398-F402 HydrophobicContact CD1-CD2 4.07Å; L398-F402 HydrophobicContact CD1-CE2 3.58Å; L398-F402 HydrophobicContact CG-CD2 4.42Å; L398-F402 HydrophobicContact CG-CE2 4.29Å; L398-F402 VanDerWaalsContact O-CD2 3.25Å; L398-F402 WeakPolarHBondContact O-CD2 3.44Å; L398-F402 PolarHBondContact O-N 2.91Å; L398-F402 VanDerWaalsContact O-N 3.09Å; L398-F423 HydrophobicContact CD2-CE2 4.12Å; L398-F423 HydrophobicContact CD2-CZ 3.63Å; L398-A427 HydrophobicContact CD2-CB 3.96Å; L398-F428 HydrophobicContact CD1-CZ 4.35Å; L398-F428 HydrophobicContact CD2-CE2 4.09Å; L398-F428 HydrophobicContact CD2-CZ 3.82Å; L398-F428 HydrophobicContact CG-CE1 4.46Å; L398-F428 HydrophobicContact CG-CZ 3.84Å
399R92.8Very high90.8Very high39 Ų3948.9 Ų48.915%0.14726%0.255CS..Hα-helixtrans-60.7-33.4178.1-72-174.8-69.8-110.46.3113D391 F395 G396 F402 G403 G404 A427 F428D391-R399 VanDerWaalsContact CG-NH2 3.35Å; D391-R399 PolarHBondContact O-NH2 2.63Å; D391-R399 IonicContact OD1-CZ 3.5Å; D391-R399 IonicContact OD1-NH1 3.7Å; D391-R399 PolarHBondContact OD1-NH1 3.36Å; D391-R399 IonicContact OD1-NH2 2.78Å; D391-R399 PolarHBondContact OD1-NH2 2.88Å; D391-R399 IonicContact OD2-CZ 3.62Å; D391-R399 IonicContact OD2-NH1 3.76Å; D391-R399 PolarHBondContact OD2-NH1 2.92Å; D391-R399 IonicContact OD2-NH2 3.75Å; D391-R399 PolarHBondContact OD2-NH2 3.44Å; F395-R399 VanDerWaalsContact CB-NH1 3.26Å; F395-R399 PolarHBondContact O-N 3.29Å; G396-R399 PolarHBondContact O-N 3.11Å; R399-F402 CarbonylContact O-C 3.35Å; R399-F402 WeakPolarHBondContact O-CA 3.36Å; R399-F402 PolarHBondContact O-N 2.82Å; R399-G403 PolarHBondContact O-N 3.05Å; R399-G404 VanDerWaalsContact O-CA 3.32Å; R399-G404 WeakPolarHBondContact O-CA 3.35Å; R399-G404 PolarHBondContact O-N 3.35Å; R399-A427 WeakPolarHBondContact CD-O 3.21Å; R399-A427 PolarHBondContact NH1-O 3.16Å; R399-F428 HydrophobicContact CG-CD1 4.36Å; R399-F428 HydrophobicContact CG-CE1 4.36Å
400K92.8Very high91.1Very high143 Ų14344.4 Ų44.462%0.62223%0.227SC*.Hα-helixtrans-64.5-43.5173.7-173.7-179.4176-176.20111.7G396 K397 L398 F402 G403G396-K400 WeakPolarHBondContact O-CB 3.41Å; G396-K400 PolarHBondContact O-N 3.47Å; K397-K400 PolarHBondContact O-N 3.37Å; L398-K400 VanDerWaalsContact C-N 3.26Å; L398-K400 PolarHBondContact O-N 3.04Å; K400-F402 PolarHBondContact O-N 3.42Å; K400-G403 WeakPolarHBondContact O-CA 3.31Å; K400-G403 PolarHBondContact O-N 2.97Å
401K92.9Very high91.3Very high89 Ų8941.6 Ų41.639%0.38721%0.213SC..Hα-helixtrans-62.6-22.5172.1-74-58-168.1176.80113.4E333 K397 L398 G403E333-K401 WeakPolarHBondContact OE2-CD 3.32Å; E333-K401 WeakPolarHBondContact OE2-CE 3.31Å; E333-K401 IonicContact OE2-NZ 2.85Å; E333-K401 PolarHBondContact OE2-NZ 2.98Å; K397-K401 PolarHBondContact O-N 2.71Å; K397-K401 VanDerWaalsContact O-N 3.07Å; L398-K401 WeakPolarHBondContact O-CB 3.5Å; L398-K401 PolarHBondContact O-N 3.11Å; L398-K401 VanDerWaalsContact O-N 3.07Å; K401-G403 PolarHBondContact O-N 3.46Å
402F93.4Very high91.1Very high3 Ų341.9 Ų41.91%0.01322%0.216CC..THydrogen-bonded Turntrans-89.217.4170.7-77.1-115.9000112.8L329 I332 L340 L350 L398 R399 K400 G404 V406 F428L329-F402 HydrophobicContact CD2-CD2 4.07Å; L329-F402 HydrophobicContact CD2-CE2 3.67Å; L329-F402 HydrophobicContact CD2-CZ 4.1Å; I332-F402 VanDerWaalsContact CG2-CA 3.47Å; I332-F402 HydrophobicContact CG2-CB 4.24Å; I332-F402 HydrophobicContact CG2-CG 4.47Å; L340-F402 HydrophobicContact CD2-CD1 3.83Å; L340-F402 HydrophobicContact CD2-CE1 3.81Å; L350-F402 HydrophobicContact CD1-CE1 4.23Å; L350-F402 HydrophobicContact CD1-CZ 3.6Å; L350-F402 HydrophobicContact CD2-CE2 4.32Å; L350-F402 HydrophobicContact CD2-CZ 4.08Å; L350-F402 HydrophobicContact CG-CZ 4.33Å; L398-F402 HydrophobicContact CD1-CD2 4.07Å; L398-F402 HydrophobicContact CD1-CE2 3.58Å; L398-F402 HydrophobicContact CG-CD2 4.42Å; L398-F402 HydrophobicContact CG-CE2 4.29Å; L398-F402 VanDerWaalsContact O-CD2 3.25Å; L398-F402 WeakPolarHBondContact O-CD2 3.44Å; L398-F402 PolarHBondContact O-N 2.91Å; L398-F402 VanDerWaalsContact O-N 3.09Å; R399-F402 CarbonylContact O-C 3.35Å; R399-F402 WeakPolarHBondContact O-CA 3.36Å; R399-F402 PolarHBondContact O-N 2.82Å; K400-F402 PolarHBondContact O-N 3.42Å; F402-G404 PolarHBondContact O-N 2.66Å; F402-V406 HydrophobicContact CB-CG2 4.28Å; F402-V406 WeakPolarHBondContact O-CG2 3.33Å; F402-F428 HydrophobicContact CB-CE1 3.96Å; F402-F428 AromaticContact CD1-CE1 3.6Å; F402-F428 HydrophobicContact CD1-CE1 3.6Å; F402-F428 AromaticContact CD1-CZ 3.78Å; F402-F428 HydrophobicContact CD1-CZ 3.78Å; F402-F428 AromaticContact CD2-CE1 3.92Å; F402-F428 HydrophobicContact CD2-CE1 3.92Å; F402-F428 AromaticContact CD2-CZ 3.85Å; F402-F428 HydrophobicContact CD2-CZ 3.85Å; F402-F428 AromaticContact CE1-CE1 3.99Å; F402-F428 HydrophobicContact CE1-CE1 3.99Å; F402-F428 HydrophobicContact CE1-CE2 4.43Å; F402-F428 AromaticContact CE1-CZ 3.66Å; F402-F428 HydrophobicContact CE1-CZ 3.66Å; F402-F428 HydrophobicContact CE2-CE1 4.28Å; F402-F428 AromaticContact CE2-CZ 3.75Å; F402-F428 HydrophobicContact CE2-CZ 3.75Å; F402-F428 AromaticContact CG-CE1 3.54Å; F402-F428 HydrophobicContact CG-CE1 3.54Å; F402-F428 AromaticContact CG-CZ 3.86Å; F402-F428 HydrophobicContact CG-CZ 3.86Å; F402-F428 HydrophobicContact CZ-CE1 4.29Å; F402-F428 HydrophobicContact CZ-CE2 4.41Å; F402-F428 AromaticContact CZ-CZ 3.63Å; F402-F428 HydrophobicContact CZ-CZ 3.63Å
403G93.4Very high90.5Very high11 Ų1142 Ų4211%0.11322%0.219CC..THydrogen-bonded Turntrans73.52.1178.500000115.6R336 R399 K400 K401 R405R336-G403 WeakPolarHBondContact CB-O 3.49Å; R336-G403 WeakPolarHBondContact CG-O 3.47Å; R399-G403 PolarHBondContact O-N 3.05Å; K400-G403 WeakPolarHBondContact O-CA 3.31Å; K400-G403 PolarHBondContact O-N 2.97Å; K401-G403 PolarHBondContact O-N 3.46Å; G403-R405 PolarHBondContact O-N 2.99Å; G403-R405 VanDerWaalsContact O-N 3.11Å
404G92.1Very high89.9Confident37 Ų3738.1 Ų38.138%0.38121%0.208SC..THydrogen-bonded Turntrans72.30.9169.600000116.7R399 F402R399-G404 VanDerWaalsContact O-CA 3.32Å; R399-G404 WeakPolarHBondContact O-CA 3.35Å; R399-G404 PolarHBondContact O-N 3.35Å; F402-G404 PolarHBondContact O-N 2.66Å
405R92.1Very high89.1Confident64 Ų6440.6 Ų40.624%0.24223%0.225CC..THydrogen-bonded Turntrans-112.3-10.9-178.5-66.9-162.9-61.4178.5-0.5114.7L335 R336 P337 G403 C407L335-R405 PolarHBondContact O-NH2 3.33Å; L335-R405 VanDerWaalsContact O-NH2 3.16Å; R336-R405 HydrophobicContact CB-CG 4.33Å; R336-R405 VanDerWaalsContact CB-NE 3.31Å; R336-R405 PolarHBondContact O-NE 2.9Å; R336-R405 PolarHBondContact O-NH2 3.48Å; P337-R405 CarbonylContact O-C 3.49Å; P337-R405 WeakPolarHBondContact O-CB 3.19Å; G403-R405 PolarHBondContact O-N 2.99Å; G403-R405 VanDerWaalsContact O-N 3.11Å; R405-C407 PolarHBondContact O-N 2.87Å
406V92.7Very high88.4Confident12 Ų1241.4 Ų41.47%0.07323%0.229CC..  trans-57.4112.2178.7178.10000110.1A11 P337 T338 L340 F402 C408 L409A11-V406 WeakPolarHBondContact CB-O 3.31Å; P337-V406 HydrophobicContact CG-CG2 4.08Å; P337-V406 PolarHBondContact O-N 3.03Å; T338-V406 CarbonylContact O-C 3.47Å; T338-V406 WeakPolarHBondContact O-CA 3.43Å; L340-V406 HydrophobicContact CB-CG1 4.44Å; L340-V406 HydrophobicContact CB-CG2 4.44Å; F402-V406 HydrophobicContact CB-CG2 4.28Å; F402-V406 WeakPolarHBondContact O-CG2 3.33Å; V406-C408 WeakPolarHBondContact CG1-O 3.31Å; V406-L409 HydrophobicContact CG1-CD2 3.79Å
407C89.4Confident87.7Confident3 Ų341.4 Ų41.42%0.0223%0.226CC..  trans-95.5-21.4178.969.10000113.4A11 Y12 T338 R405A11-C407 HydrophobicContact CB-CB 4.12Å; Y12-C407 HydrophobicContact CD2-CB 4.43Å; T338-C407 PolarHBondContact O-N 3.28Å; T338-C407 PolarHBondContact O-SG 2.99Å; R405-C407 PolarHBondContact O-N 2.87Å
408C89.3Confident87.2Confident0 Ų036 Ų360%021%0.21CC..EExtended strand (participates in β ladder)trans-154.9156.417463.40000111I286 L340 V406 P430 F432I286-C408 WeakPolarHBondContact CG2-SG 3.49Å; L340-C408 PolarHBondContact N-O 3.25Å; V406-C408 WeakPolarHBondContact CG1-O 3.31Å; C408-P430 WeakPolarHBondContact CA-O 3.49Å; C408-P430 HydrophobicContact CB-CB 4.47Å; C408-F432 HydrophobicContact CB-CD2 3.98Å; C408-F432 HydrophobicContact CB-CE2 3.8Å
409L92.5Very high86.8Confident0 Ų038.5 Ų38.50%022%0.221CC..EExtended strand (participates in β ladder)trans-104.2147.5166.6-61.7179.9000109.4L340 V342 V406 A424 F428 P430 I431 F432L340-L409 HydrophobicContact CB-CD2 3.89Å; L340-L409 HydrophobicContact CD2-CD2 4.43Å; L340-L409 WeakPolarHBondContact O-CA 3.38Å; V342-L409 HydrophobicContact CG1-CD2 4.34Å; V342-L409 HydrophobicContact CG2-CB 4.07Å; V342-L409 HydrophobicContact CG2-CD1 4.23Å; V342-L409 HydrophobicContact CG2-CD2 4.32Å; V342-L409 HydrophobicContact CG2-CG 4.44Å; V406-L409 HydrophobicContact CG1-CD2 3.79Å; L409-A424 HydrophobicContact CD1-CB 4.09Å; L409-F428 HydrophobicContact CD1-CB 3.95Å; L409-F428 HydrophobicContact CD1-CD2 3.55Å; L409-F428 HydrophobicContact CD1-CE2 4.24Å; L409-F428 HydrophobicContact CD1-CG 3.85Å; L409-F428 HydrophobicContact CG-CB 4.07Å; L409-F428 HydrophobicContact CG-CD2 4.44Å; L409-F428 HydrophobicContact CG-CG 4.26Å; L409-P430 PolarHBondContact N-O 3.39Å; L409-I431 HydrophobicContact CB-CG1 4.42Å; L409-I431 HydrophobicContact CB-CG2 4.4Å; L409-I431 CarbonylContact O-C 3.59Å; L409-I431 WeakPolarHBondContact O-CA 2.92Å; L409-F432 PolarHBondContact O-N 2.58Å
410V92.5Very high86.4Confident27 Ų2737.5 Ų37.516%0.16422%0.218CC..EExtended strand (participates in β ladder)trans-119.6127.9171-175.70000107.6L340 V341 V342 F432L340-V410 PolarHBondContact O-N 2.83Å; V341-V410 CarbonylContact C-O 3.59Å; V341-V410 VanDerWaalsContact CA-O 3.31Å; V341-V410 WeakPolarHBondContact CA-O 3.49Å; V341-V410 HydrophobicContact CG2-CB 4.37Å; V342-V410 PolarHBondContact N-O 3.46Å; V410-F432 CarbonylContact C-O 3.55Å; V410-F432 WeakPolarHBondContact CA-O 3.32Å; V410-F432 HydrophobicContact CG1-CB 4.39Å; V410-F432 HydrophobicContact CG2-CB 4.25Å
411T90.4Very high86.2Confident3 Ų330.7 Ų30.72%0.01819%0.188CC..EExtended strand (participates in β ladder)trans-130.1150-179.7-178.90000110.3V342 L416 I431 F432 E433 G434V342-T411 WeakPolarHBondContact O-CA 3.27Å; V342-T411 WeakPolarHBondContact O-CB 3.38Å; V342-T411 PolarHBondContact O-OG1 2.93Å; T411-L416 HydrophobicContact CG2-CD2 4.19Å; T411-I431 HydrophobicContact CG2-CG2 3.83Å; T411-F432 PolarHBondContact N-O 3.09Å; T411-E433 HydrophobicContact CG2-CB 4.03Å; T411-E433 HydrophobicContact CG2-CG 3.61Å; T411-G434 PolarHBondContact O-N 3.05Å
412G85.2Confident86.2Confident6 Ų631 Ų316%0.06219%0.19CC..  trans-175.6-163.2-179.600000110.8P344 A414 G434P344-G412 WeakPolarHBondContact CD-O 3.33Å; G412-A414 PolarHBondContact O-N 2.89Å; G412-G434 WeakPolarHBondContact CA-O 3.42Å
413S74.1Confident86.1Confident76 Ų7630.9 Ų30.953%0.53119%0.189SC..SBendtrans65.5-21.8179.9-51.70000116.7M303 K658M303-S413 PolarHBondContact SD-OG 2.98Å; M303-S413 VanDerWaalsContact SD-OG 3.35Å; S413-K658 PolarHBondContact O-NZ 3.34Å; S413-K658 VanDerWaalsContact O-NZ 3.17Å
414A75Confident86Confident44 Ų4430.4 Ų30.436%0.36418%0.184SC..SBendtrans-153158.1173.500000111P344 G412P344-A414 HydrophobicContact CG-CB 4.02Å; P344-A414 WeakPolarHBondContact CG-O 3.33Å; G412-A414 PolarHBondContact O-N 2.89Å
415P74.2Confident86Confident73 Ų7328.8 Ų28.847%0.47417%0.166SC..PPolyproline II helixtrans-60.7139.9176.1-23.934.4000112.9M553P415-M553 HydrophobicContact CB-CE 4.09Å; P415-M553 HydrophobicContact CB-SD 3.95Å
416L77.8Confident86Confident16 Ų1625.7 Ų25.78%0.08416%0.155CC..PPolyproline II helixtrans-93.1130.1171.2-171.762.5000110.3P344 L347 T411 L420 E433P344-L416 HydrophobicContact CB-CD1 4.29Å; P344-L416 HydrophobicContact CG-CD1 4.46Å; L347-L416 HydrophobicContact CD2-CD1 3.79Å; L347-L416 HydrophobicContact CD2-CD2 4.45Å; T411-L416 HydrophobicContact CG2-CD2 4.19Å; L416-L420 HydrophobicContact CD1-CB 3.59Å; L416-L420 HydrophobicContact CD1-CD1 4.12Å; L416-L420 HydrophobicContact CG-CB 4.22Å; L416-E433 WeakPolarHBondContact CB-OE2 3.48Å
417S76.9Confident86Confident21 Ų2125.1 Ų25.115%0.14715%0.151CC..PPolyproline II helixtrans-68.9148.2177.7880000111E419 L420 S421S417-E419 PolarHBondContact O-N 3.41Å; S417-E419 VanDerWaalsContact O-N 3.14Å; S417-L420 PolarHBondContact O-N 3.49Å; S417-L420 VanDerWaalsContact O-N 3.13Å; S417-L420 VanDerWaalsContact OG-CG 3.29Å; S417-L420 WeakPolarHBondContact OG-CG 3.37Å; S417-L420 PolarHBondContact OG-N 2.8Å; S417-S421 PolarHBondContact O-N 2.79Å
418P80.2Confident86Confident69 Ų6925.3 Ų25.345%0.44815%0.152SC..Hα-helixtrans-57.4-31.2178.4-28.635.5000113.9K422P418-K422 WeakPolarHBondContact O-CB 3.12Å; P418-K422 WeakPolarHBondContact O-CD 3.42Å; P418-K422 WeakPolarHBondContact O-CG 3.31Å; P418-K422 PolarHBondContact O-N 3.27Å; P418-K422 VanDerWaalsContact O-N 3.08Å
419E82.9Confident85.8Confident73 Ų7325.3 Ų25.334%0.34115%0.152SC..Hα-helixtrans-70.5-45.7176.9-176.3174-154.900112Y351 S417 K422 F423 Y557Y351-E419 HydrophobicContact CE1-CG 4.1Å; Y351-E419 WeakPolarHBondContact OH-CG 3.36Å; Y351-E419 PolarHBondContact OH-OE1 3.29Å; S417-E419 PolarHBondContact O-N 3.41Å; S417-E419 VanDerWaalsContact O-N 3.14Å; E419-K422 PolarHBondContact O-N 3.33Å; E419-F423 PolarHBondContact O-N 3.16Å; E419-Y557 HydrophobicContact CB-CE1 4.07Å; E419-Y557 WeakPolarHBondContact OE2-CE1 3.23Å
420L84.4Confident85.4Confident17 Ų1725.4 Ų25.49%0.08915%0.152CC..Hα-helixtrans-64.8-41177.2-66.2175.4000111.4Y351 L416 S417 F423 A424Y351-L420 HydrophobicContact CD1-CD2 3.62Å; Y351-L420 HydrophobicContact CD2-CD2 4.27Å; Y351-L420 HydrophobicContact CE1-CD2 4.48Å; Y351-L420 HydrophobicContact CG-CD2 3.5Å; Y351-L420 VanDerWaalsContact CG-CD2 3.5Å; L416-L420 HydrophobicContact CD1-CB 3.59Å; L416-L420 HydrophobicContact CD1-CD1 4.12Å; L416-L420 HydrophobicContact CG-CB 4.22Å; S417-L420 PolarHBondContact O-N 3.49Å; S417-L420 VanDerWaalsContact O-N 3.13Å; S417-L420 VanDerWaalsContact OG-CG 3.29Å; S417-L420 WeakPolarHBondContact OG-CG 3.37Å; S417-L420 PolarHBondContact OG-N 2.8Å; L420-F423 PolarHBondContact O-N 2.71Å; L420-A424 VanDerWaalsContact O-CB 3.28Å; L420-A424 WeakPolarHBondContact O-CB 3.42Å; L420-A424 PolarHBondContact O-N 3.16Å
421S89.5Confident85.3Confident1 Ų124.4 Ų24.41%0.00715%0.146CC..Hα-helixtrans-60.2-48.1174.9-171.90000111S417 F423 A424 H425 E433 L454S417-S421 PolarHBondContact O-N 2.79Å; S421-F423 PolarHBondContact O-N 2.8Å; S421-A424 PolarHBondContact O-N 3.42Å; S421-H425 WeakPolarHBondContact O-CB 3.41Å; S421-H425 PolarHBondContact O-CD2 3.15Å; S421-H425 VanDerWaalsContact O-CD2 3.27Å; S421-H425 PolarHBondContact O-N 3.21Å; S421-E433 PolarHBondContact OG-OE1 2.76Å; S421-L454 WeakPolarHBondContact OG-CD2 3.32Å
422K92.1Very high85.4Confident94 Ų9424.4 Ų24.441%0.40915%0.146SC..Hα-helixtrans-57.6-46.7174.9-73.5169.6-172.7173.50112.9V372 L376 P418 E419 A426 L454V372-K422 HydrophobicContact CG1-CB 4.23Å; L376-K422 HydrophobicContact CD1-CB 4.12Å; L376-K422 HydrophobicContact CD1-CD 4.45Å; L376-K422 HydrophobicContact CD1-CG 3.79Å; P418-K422 WeakPolarHBondContact O-CB 3.12Å; P418-K422 WeakPolarHBondContact O-CD 3.42Å; P418-K422 WeakPolarHBondContact O-CG 3.31Å; P418-K422 PolarHBondContact O-N 3.27Å; P418-K422 VanDerWaalsContact O-N 3.08Å; E419-K422 PolarHBondContact O-N 3.33Å; K422-A426 VanDerWaalsContact O-CB 3.29Å; K422-A426 WeakPolarHBondContact O-CB 3.34Å; K422-A426 PolarHBondContact O-N 3.4Å; K422-L454 HydrophobicContact CD-CD1 4.43Å; K422-L454 HydrophobicContact CG-CD1 3.49Å; K422-L454 VanDerWaalsContact CG-CD1 3.49Å
423F92Very high85.8Confident2 Ų224.7 Ų24.71%0.00915%0.146CC..Hα-helixtrans-60.3-51.6178.7164.5-106.5000111.1L347 Y351 Y354 Y368 F395 L398 E419 L420 S421 H425 A426 A427L347-F423 HydrophobicContact CD1-CE1 4.38Å; Y351-F423 HydrophobicContact CD2-CB 3.75Å; Y351-F423 AromaticContact CD2-CD1 3.56Å; Y351-F423 HydrophobicContact CD2-CD1 3.56Å; Y351-F423 AromaticContact CD2-CD2 3.72Å; Y351-F423 HydrophobicContact CD2-CD2 3.72Å; Y351-F423 HydrophobicContact CD2-CE1 4.02Å; Y351-F423 HydrophobicContact CD2-CE2 4.16Å; Y351-F423 AromaticContact CD2-CG 3.38Å; Y351-F423 HydrophobicContact CD2-CG 3.38Å; Y351-F423 HydrophobicContact CD2-CZ 4.28Å; Y351-F423 HydrophobicContact CE2-CB 3.7Å; Y351-F423 HydrophobicContact CE2-CD1 4.36Å; Y351-F423 AromaticContact CE2-CD2 3.88Å; Y351-F423 HydrophobicContact CE2-CD2 3.88Å; Y351-F423 AromaticContact CE2-CG 3.72Å; Y351-F423 HydrophobicContact CE2-CG 3.72Å; Y351-F423 HydrophobicContact CG-CD1 4.38Å; Y354-F423 HydrophobicContact CD1-CD2 4.45Å; Y354-F423 AromaticContact CD1-CE2 3.55Å; Y354-F423 HydrophobicContact CD1-CE2 3.55Å; Y354-F423 HydrophobicContact CD1-CZ 4.14Å; Y354-F423 AromaticContact CE1-CE2 3.9Å; Y354-F423 HydrophobicContact CE1-CE2 3.9Å; Y354-F423 AromaticContact CG-CE2 3.94Å; Y354-F423 HydrophobicContact CG-CE2 3.94Å; Y354-F423 HydrophobicContact CG-CZ 4.08Å; Y368-F423 HydrophobicContact CE2-CD2 4.19Å; Y368-F423 WeakPolarHBondContact OH-CD2 3.49Å; F395-F423 HydrophobicContact CE1-CD2 4.3Å; F395-F423 HydrophobicContact CE1-CE2 4.02Å; L398-F423 HydrophobicContact CD2-CE2 4.12Å; L398-F423 HydrophobicContact CD2-CZ 3.63Å; E419-F423 PolarHBondContact O-N 3.16Å; L420-F423 PolarHBondContact O-N 2.71Å; S421-F423 PolarHBondContact O-N 2.8Å; F423-H425 PolarHBondContact O-N 3.03Å; F423-A426 PolarHBondContact O-N 3.21Å; F423-A427 HydrophobicContact CE2-CB 4.34Å; F423-A427 HydrophobicContact CZ-CB 4.47Å; F423-A427 VanDerWaalsContact O-CB 3.3Å; F423-A427 WeakPolarHBondContact O-CB 3.27Å; F423-A427 PolarHBondContact O-N 3.36Å
424A92Very high86.7Confident0 Ų021.7 Ų21.70%013%0.127CC..Hα-helixtrans-66.4-39.6-175.800000111.5L347 L409 L420 S421 A426 A427 F428 I431L347-A424 HydrophobicContact CD1-CB 4.22Å; L347-A424 HydrophobicContact CD2-CB 3.86Å; L409-A424 HydrophobicContact CD1-CB 4.09Å; L420-A424 VanDerWaalsContact O-CB 3.28Å; L420-A424 WeakPolarHBondContact O-CB 3.42Å; L420-A424 PolarHBondContact O-N 3.16Å; S421-A424 PolarHBondContact O-N 3.42Å; A424-A426 VanDerWaalsContact C-N 3.34Å; A424-A426 PolarHBondContact O-N 3.09Å; A424-A427 PolarHBondContact O-N 2.68Å; A424-F428 PolarHBondContact O-N 3.13Å; A424-I431 HydrophobicContact CB-CD1 3.25Å; A424-I431 HydrophobicContact CB-CG1 4.37Å
425H92Very high87.7Confident3 Ų320.7 Ų20.71%0.01411%0.114CC..Hα-helixtrans-61.5-46.4174.8-90.7-86.6000109.9L376 Q379 S421 F423 G429 I431 E451L376-H425 HydrophobicContact CD2-CB 3.76Å; Q379-H425 PolarHBondContact NE2-O 2.88Å; Q379-H425 PolarHBondContact OE1-ND1 3.29Å; S421-H425 WeakPolarHBondContact O-CB 3.41Å; S421-H425 PolarHBondContact O-CD2 3.15Å; S421-H425 VanDerWaalsContact O-CD2 3.27Å; S421-H425 PolarHBondContact O-N 3.21Å; F423-H425 PolarHBondContact O-N 3.03Å; H425-G429 WeakPolarHBondContact CA-O 3.36Å; H425-G429 WeakPolarHBondContact O-CA 3.47Å; H425-G429 PolarHBondContact O-N 2.96Å; H425-I431 HydrophobicContact CB-CD1 4.48Å; H425-I431 VanDerWaalsContact CD2-CD1 3.43Å; H425-I431 WeakPolarHBondContact CD2-CD1 3.36Å; H425-E451 PolarHBondContact CE1-O 3.31Å
426A92Very high88.6Confident0 Ų018.6 Ų18.60%011%0.105CC..Hα-helixtrans-64.2-44179.600000113V372 K375 F395 K422 F423 A424V372-A426 HydrophobicContact CB-CB 4.16Å; V372-A426 HydrophobicContact CG1-CB 4.09Å; V372-A426 HydrophobicContact CG2-CB 3.88Å; K375-A426 HydrophobicContact CB-CB 3.89Å; K375-A426 HydrophobicContact CG-CB 4.23Å; F395-A426 HydrophobicContact CE2-CB 4.1Å; F395-A426 HydrophobicContact CZ-CB 4.1Å; K422-A426 VanDerWaalsContact O-CB 3.29Å; K422-A426 WeakPolarHBondContact O-CB 3.34Å; K422-A426 PolarHBondContact O-N 3.4Å; F423-A426 PolarHBondContact O-N 3.21Å; A424-A426 VanDerWaalsContact C-N 3.34Å; A424-A426 PolarHBondContact O-N 3.09Å
427A91.3Very high89.3Confident0 Ų018.9 Ų18.90%011%0.11CC..Hα-helixtrans-76.8-43.7-173.700000113.4F395 L398 R399 F423 A424F395-A427 HydrophobicContact CD1-CB 3.63Å; F395-A427 HydrophobicContact CE1-CB 3.75Å; F395-A427 HydrophobicContact CG-CB 4.05Å; F395-A427 HydrophobicContact CZ-CB 4.25Å; L398-A427 HydrophobicContact CD2-CB 3.96Å; R399-A427 WeakPolarHBondContact CD-O 3.21Å; R399-A427 PolarHBondContact NH1-O 3.16Å; F423-A427 HydrophobicContact CE2-CB 4.34Å; F423-A427 HydrophobicContact CZ-CB 4.47Å; F423-A427 VanDerWaalsContact O-CB 3.3Å; F423-A427 WeakPolarHBondContact O-CB 3.27Å; F423-A427 PolarHBondContact O-N 3.36Å; A424-A427 PolarHBondContact O-N 2.68Å
428F89.4Confident90.2Very high6 Ų619 Ų193%0.02611%0.11CC..Hα-helixtrans-111.6-24.2-168.4-61.2-76.5000113.6H386 L398 R399 F402 L409 A424H386-F428 PolarHBondContact NE2-O 3.39Å; L398-F428 HydrophobicContact CD1-CZ 4.35Å; L398-F428 HydrophobicContact CD2-CE2 4.09Å; L398-F428 HydrophobicContact CD2-CZ 3.82Å; L398-F428 HydrophobicContact CG-CE1 4.46Å; L398-F428 HydrophobicContact CG-CZ 3.84Å; R399-F428 HydrophobicContact CG-CD1 4.36Å; R399-F428 HydrophobicContact CG-CE1 4.36Å; F402-F428 HydrophobicContact CB-CE1 3.96Å; F402-F428 AromaticContact CD1-CE1 3.6Å; F402-F428 HydrophobicContact CD1-CE1 3.6Å; F402-F428 AromaticContact CD1-CZ 3.78Å; F402-F428 HydrophobicContact CD1-CZ 3.78Å; F402-F428 AromaticContact CD2-CE1 3.92Å; F402-F428 HydrophobicContact CD2-CE1 3.92Å; F402-F428 AromaticContact CD2-CZ 3.85Å; F402-F428 HydrophobicContact CD2-CZ 3.85Å; F402-F428 AromaticContact CE1-CE1 3.99Å; F402-F428 HydrophobicContact CE1-CE1 3.99Å; F402-F428 HydrophobicContact CE1-CE2 4.43Å; F402-F428 AromaticContact CE1-CZ 3.66Å; F402-F428 HydrophobicContact CE1-CZ 3.66Å; F402-F428 HydrophobicContact CE2-CE1 4.28Å; F402-F428 AromaticContact CE2-CZ 3.75Å; F402-F428 HydrophobicContact CE2-CZ 3.75Å; F402-F428 AromaticContact CG-CE1 3.54Å; F402-F428 HydrophobicContact CG-CE1 3.54Å; F402-F428 AromaticContact CG-CZ 3.86Å; F402-F428 HydrophobicContact CG-CZ 3.86Å; F402-F428 HydrophobicContact CZ-CE1 4.29Å; F402-F428 HydrophobicContact CZ-CE2 4.41Å; F402-F428 AromaticContact CZ-CZ 3.63Å; F402-F428 HydrophobicContact CZ-CZ 3.63Å; L409-F428 HydrophobicContact CD1-CB 3.95Å; L409-F428 HydrophobicContact CD1-CD2 3.55Å; L409-F428 HydrophobicContact CD1-CE2 4.24Å; L409-F428 HydrophobicContact CD1-CG 3.85Å; L409-F428 HydrophobicContact CG-CB 4.07Å; L409-F428 HydrophobicContact CG-CD2 4.44Å; L409-F428 HydrophobicContact CG-CG 4.26Å; A424-F428 PolarHBondContact O-N 3.13Å
429G85.9Confident90.9Very high0 Ų017 Ų170%09%0.094CC..SBendtrans105.3-132.9179.600000111.5H386 H425 I431H386-G429 PolarHBondContact NE2-N 2.86Å; H425-G429 WeakPolarHBondContact CA-O 3.36Å; H425-G429 WeakPolarHBondContact O-CA 3.47Å; H425-G429 PolarHBondContact O-N 2.96Å; G429-I431 PolarHBondContact O-N 3.45Å
430P84.2Confident91.5Very high2 Ų213.5 Ų13.51%0.0138%0.078CC..  trans-59135.7179.7-18.429.7000112P9 F24 F384 C408 L409P9-P430 HydrophobicContact CG-CG 3.9Å; F24-P430 HydrophobicContact CE1-CG 3.8Å; F24-P430 HydrophobicContact CZ-CG 4.03Å; F384-P430 HydrophobicContact CB-CG 4.17Å; F384-P430 HydrophobicContact CD1-CB 4.38Å; F384-P430 HydrophobicContact CD1-CG 3.62Å; F384-P430 HydrophobicContact CE1-CG 4.23Å; F384-P430 HydrophobicContact CG-CG 3.96Å; C408-P430 WeakPolarHBondContact CA-O 3.49Å; C408-P430 HydrophobicContact CB-CB 4.47Å; L409-P430 PolarHBondContact N-O 3.39Å
431I89.8Confident92.1Very high6 Ų612.7 Ų12.73%0.0317%0.074CC..EExtended strand (participates in β ladder)trans-117.8137.7168.4-54-176.2000107.6L409 T411 A424 H425 G429 E433L409-I431 HydrophobicContact CB-CG1 4.42Å; L409-I431 HydrophobicContact CB-CG2 4.4Å; L409-I431 CarbonylContact O-C 3.59Å; L409-I431 WeakPolarHBondContact O-CA 2.92Å; T411-I431 HydrophobicContact CG2-CG2 3.83Å; A424-I431 HydrophobicContact CB-CD1 3.25Å; A424-I431 HydrophobicContact CB-CG1 4.37Å; H425-I431 HydrophobicContact CB-CD1 4.48Å; H425-I431 VanDerWaalsContact CD2-CD1 3.43Å; H425-I431 WeakPolarHBondContact CD2-CD1 3.36Å; G429-I431 PolarHBondContact O-N 3.45Å; I431-E433 HydrophobicContact CG2-CG 4.07Å
432F92.9Very high92.4Very high3 Ų313 Ų131%0.0138%0.077CC..EExtended strand (participates in β ladder)trans-99.9109.8167.6-67.1-88.9000108.9I282 I286 C408 L409 V410 T411 L446 T447 V449I282-F432 HydrophobicContact CG2-CD1 4.42Å; I282-F432 HydrophobicContact CG2-CE1 4.25Å; I286-F432 HydrophobicContact CD1-CE2 3.75Å; I286-F432 HydrophobicContact CD1-CZ 3.67Å; I286-F432 HydrophobicContact CG1-CE2 3.82Å; I286-F432 HydrophobicContact CG1-CZ 3.6Å; I286-F432 HydrophobicContact CG2-CE2 4.4Å; C408-F432 HydrophobicContact CB-CD2 3.98Å; C408-F432 HydrophobicContact CB-CE2 3.8Å; L409-F432 PolarHBondContact O-N 2.58Å; V410-F432 CarbonylContact C-O 3.55Å; V410-F432 WeakPolarHBondContact CA-O 3.32Å; V410-F432 HydrophobicContact CG1-CB 4.39Å; V410-F432 HydrophobicContact CG2-CB 4.25Å; T411-F432 PolarHBondContact N-O 3.09Å; F432-L446 HydrophobicContact CB-CD1 4.02Å; F432-L446 HydrophobicContact CD1-CD2 4.27Å; F432-L446 HydrophobicContact CD1-CG 4.27Å; F432-T447 VanDerWaalsContact CA-OG1 3.24Å; F432-T447 WeakPolarHBondContact CA-OG1 3.38Å; F432-T447 VanDerWaalsContact CD1-O 3.24Å; F432-T447 WeakPolarHBondContact CD1-O 3.29Å; F432-V449 HydrophobicContact CE1-CB 4.46Å; F432-V449 HydrophobicContact CE1-CG2 3.93Å; F432-V449 HydrophobicContact CZ-CB 4.38Å; F432-V449 HydrophobicContact CZ-CG1 4.37Å; F432-V449 HydrophobicContact CZ-CG2 3.99Å
433E93.5Very high92.5Very high13 Ų139.8 Ų9.86%0.0617%0.066CC..EExtended strand (participates in β ladder)trans-94.4120.6170.7-51.7-159.8-147.500108.2T411 L416 S421 I431 T447 V457T411-E433 HydrophobicContact CG2-CB 4.03Å; T411-E433 HydrophobicContact CG2-CG 3.61Å; L416-E433 WeakPolarHBondContact CB-OE2 3.48Å; S421-E433 PolarHBondContact OG-OE1 2.76Å; I431-E433 HydrophobicContact CG2-CG 4.07Å; E433-T447 HydrophobicContact CB-CG2 3.93Å; E433-T447 PolarHBondContact N-OG1 3.28Å; E433-T447 PolarHBondContact O-N 2.97Å; E433-V457 CarbonylContact O-C 3.48Å
434G93.4Very high92.8Very high13 Ų139.7 Ų9.713%0.1347%0.066CC..EExtended strand (participates in β ladder)trans-118.5144.5179.900000112T411 G412 T445T411-G434 PolarHBondContact O-N 3.05Å; G412-G434 WeakPolarHBondContact CA-O 3.42Å; G434-T445 VanDerWaalsContact CA-O 3.27Å; G434-T445 WeakPolarHBondContact CA-O 3.19Å
435Y95.2Very high93.1Very high23 Ų239.7 Ų9.79%0.097%0.066CC..EExtended strand (participates in β ladder)trans-120.7145.8172.4165.8-101.4000110.5I444 T445 V457 I486 T516 D518 L528 I530Y435-I444 HydrophobicContact CD1-CD1 3.95Å; Y435-I444 HydrophobicContact CD1-CG1 3.91Å; Y435-I444 HydrophobicContact CE1-CD1 3.62Å; Y435-I444 HydrophobicContact CE1-CG1 4.12Å; Y435-I444 WeakPolarHBondContact O-CG1 3.47Å; Y435-I444 PolarHBondContact O-N 2.72Å; Y435-T445 WeakPolarHBondContact CB-OG1 3.49Å; Y435-T445 PolarHBondContact N-O 2.88Å; Y435-T445 PolarHBondContact O-N 2.84Å; Y435-T445 VanDerWaalsContact O-N 3.12Å; Y435-V457 HydrophobicContact CG-CG2 4.3Å; Y435-I486 HydrophobicContact CE1-CD1 3.96Å; Y435-I486 HydrophobicContact CE1-CG2 4.18Å; Y435-T516 WeakPolarHBondContact OH-CB 3.39Å; Y435-T516 PolarHBondContact OH-OG1 2.88Å; Y435-D518 HydrophobicContact CE2-CB 4.44Å; Y435-D518 VanDerWaalsContact OH-CB 3.23Å; Y435-D518 WeakPolarHBondContact OH-CB 3.41Å; Y435-D518 PolarHBondContact OH-OD2 2.88Å; Y435-L528 HydrophobicContact CD1-CD2 4.19Å; Y435-L528 HydrophobicContact CE1-CD2 4.47Å; Y435-I530 HydrophobicContact CD1-CD1 3.8Å; Y435-I530 HydrophobicContact CD2-CD1 3.74Å; Y435-I530 HydrophobicContact CD2-CG1 4.01Å; Y435-I530 HydrophobicContact CE1-CD1 3.94Å; Y435-I530 HydrophobicContact CE2-CD1 3.91Å; Y435-I530 HydrophobicContact CE2-CG1 4.43Å; Y435-I530 HydrophobicContact CG-CD1 3.7Å; Y435-I530 HydrophobicContact CG-CG1 4.2Å
436G93.9Very high93.3Very high29 Ų2910.1 Ų10.130%0.2997%0.068SC..EExtended strand (participates in β ladder)trans178.3165.1-162.700000113.1G442G436-G442 CarbonylContact C-O 3.56Å; G436-G442 WeakPolarHBondContact CA-O 3.31Å
437A92.9Very high93.5Very high21 Ų2110.3 Ų10.317%0.1747%0.069CC..EExtended strand (participates in β ladder)trans-140.5159.3176.100000109.3E439 A440 I441 G442A437-E439 PolarHBondContact O-N 3.03Å; A437-A440 PolarHBondContact O-N 3.36Å; A437-I441 PolarHBondContact O-N 2.98Å; A437-G442 PolarHBondContact N-O 2.92Å; A437-G442 PolarHBondContact O-N 2.78Å
438T94Very high93.6Very high24 Ų2411 Ų1115%0.1477%0.074CC..THydrogen-bonded Turntrans-62-38.8174.8-570000110.6T254 V264 I302 A440 I441T254-T438 VanDerWaalsContact CG2-CB 3.44Å; T254-T438 HydrophobicContact CG2-CG2 3.71Å; V264-T438 HydrophobicContact CB-CG2 3.88Å; V264-T438 HydrophobicContact CG1-CG2 4.15Å; V264-T438 HydrophobicContact CG2-CG2 3.83Å; I302-T438 HydrophobicContact CB-CG2 4.37Å; T438-A440 PolarHBondContact O-N 3.15Å; T438-I441 WeakPolarHBondContact O-CA 3.13Å; T438-I441 WeakPolarHBondContact O-CD1 3.2Å; T438-I441 PolarHBondContact O-N 3.15Å
439E95.7Very high93.7Very high27 Ų2710.7 Ų10.713%0.1267%0.072CC..THydrogen-bonded Turntrans-60-31.6177.9-66.481.1177.500112.5V264 A437 I441 S494 Y497 L507 I514V264-E439 HydrophobicContact CG2-CG 3.98Å; A437-E439 PolarHBondContact O-N 3.03Å; E439-I441 VanDerWaalsContact C-N 3.33Å; E439-S494 WeakPolarHBondContact O-CB 3.42Å; E439-S494 PolarHBondContact O-N 3.43Å; E439-Y497 HydrophobicContact CG-CE1 3.91Å; E439-Y497 WeakPolarHBondContact CG-OH 3.42Å; E439-Y497 PolarHBondContact OE1-OH 3.16Å; E439-L507 HydrophobicContact CB-CD1 4.09Å; E439-L507 HydrophobicContact CB-CD2 3.96Å; E439-L507 HydrophobicContact CG-CD1 3.88Å; E439-L507 HydrophobicContact CG-CD2 3.72Å; E439-L507 HydrophobicContact CG-CG 4.46Å; E439-I514 HydrophobicContact CB-CD1 4.44Å; E439-I514 HydrophobicContact CB-CG2 4.38Å; E439-I514 WeakPolarHBondContact O-CD1 3.07Å
440A96.7Very high93.9Very high0 Ų010.8 Ų10.80%07%0.074CC..THydrogen-bonded Turntrans-94.512.2174.600000113.5A437 T438 G442 I444A437-A440 PolarHBondContact O-N 3.36Å; T438-A440 PolarHBondContact O-N 3.15Å; A440-G442 PolarHBondContact O-N 2.81Å; A440-I444 HydrophobicContact CB-CG2 3.5Å
441I96.8Very high94.3Very high0 Ų010.9 Ų10.90%07%0.074CC..THydrogen-bonded Turntrans55.948.6-179.2-43.5-47000111.8V264 I266 E270 I271 S274 I302 A437 T438 E439 Q492V264-I441 HydrophobicContact CG1-CD1 4.19Å; I266-I441 HydrophobicContact CB-CD1 4.32Å; I266-I441 HydrophobicContact CD1-CD1 3.93Å; I266-I441 HydrophobicContact CG1-CD1 3.66Å; I266-I441 HydrophobicContact CG2-CD1 4.12Å; I266-I441 HydrophobicContact CG2-CG1 4.47Å; I266-I441 HydrophobicContact CG2-CG2 3.99Å; E270-I441 HydrophobicContact CB-CG1 4.21Å; I271-I441 HydrophobicContact CB-CG2 4.16Å; I271-I441 HydrophobicContact CG1-CG2 4.15Å; S274-I441 WeakPolarHBondContact CB-O 3.39Å; S274-I441 PolarHBondContact OG-O 3.45Å; I302-I441 HydrophobicContact CD1-CG2 4.05Å; A437-I441 PolarHBondContact O-N 2.98Å; T438-I441 WeakPolarHBondContact O-CA 3.13Å; T438-I441 WeakPolarHBondContact O-CD1 3.2Å; T438-I441 PolarHBondContact O-N 3.15Å; E439-I441 VanDerWaalsContact C-N 3.33Å; I441-Q492 WeakPolarHBondContact CB-O 3.47Å; I441-Q492 WeakPolarHBondContact CG1-O 3.26Å
442G94.1Very high94.4Very high7 Ų713.4 Ų13.47%0.0728%0.084CC..EExtended strand (participates in β ladder)trans95.5-129.817600000112.5G436 A437 A440G436-G442 CarbonylContact C-O 3.56Å; G436-G442 WeakPolarHBondContact CA-O 3.31Å; A437-G442 PolarHBondContact N-O 2.92Å; A437-G442 PolarHBondContact O-N 2.78Å; A440-G442 PolarHBondContact O-N 2.81Å
443C95.5Very high94.3Very high26 Ų2615.2 Ų15.218%0.1769%0.09CC..EExtended strand (participates in β ladder)trans-74.5127.3-165.3-153.10000111.8T445 V461 Q492C443-T445 PolarHBondContact SG-O 3.5Å; C443-V461 WeakPolarHBondContact O-CG2 3.33Å; C443-Q492 PolarHBondContact O-NE2 2.87Å
444I97.7Very high94.1Very high0 Ų017.2 Ų17.20%010%0.101CC..EExtended strand (participates in β ladder)trans-116.1-20.8172.557.4177.6000113Y435 A440 V461 V464 L466 A488 T516Y435-I444 HydrophobicContact CD1-CD1 3.95Å; Y435-I444 HydrophobicContact CD1-CG1 3.91Å; Y435-I444 HydrophobicContact CE1-CD1 3.62Å; Y435-I444 HydrophobicContact CE1-CG1 4.12Å; Y435-I444 WeakPolarHBondContact O-CG1 3.47Å; Y435-I444 PolarHBondContact O-N 2.72Å; A440-I444 HydrophobicContact CB-CG2 3.5Å; I444-V461 WeakPolarHBondContact O-CG2 3.33Å; I444-V461 PolarHBondContact O-N 3.13Å; I444-V464 HydrophobicContact CB-CG1 4.21Å; I444-V464 HydrophobicContact CG2-CG1 4.22Å; I444-L466 HydrophobicContact CB-CD2 4.25Å; I444-L466 HydrophobicContact CD1-CD2 3.99Å; I444-L466 HydrophobicContact CG1-CD2 4.45Å; I444-A488 HydrophobicContact CD1-CB 3.94Å; I444-A488 HydrophobicContact CG2-CB 4.33Å; I444-T516 HydrophobicContact CD1-CG2 4.27Å
445T98Very high93.8Very high0 Ų018.5 Ų18.50%012%0.115CC..EExtended strand (participates in β ladder)trans-131.5148.9164.569.10000111.1G434 Y435 C443 V457 G459 L466 L528G434-T445 VanDerWaalsContact CA-O 3.27Å; G434-T445 WeakPolarHBondContact CA-O 3.19Å; Y435-T445 WeakPolarHBondContact CB-OG1 3.49Å; Y435-T445 PolarHBondContact N-O 2.88Å; Y435-T445 PolarHBondContact O-N 2.84Å; Y435-T445 VanDerWaalsContact O-N 3.12Å; C443-T445 PolarHBondContact SG-O 3.5Å; T445-V457 CarbonylContact C-O 3.58Å; T445-V457 VanDerWaalsContact C-O 3.31Å; T445-V457 VanDerWaalsContact CB-O 3.24Å; T445-V457 WeakPolarHBondContact CB-O 3.4Å; T445-V457 WeakPolarHBondContact OG1-CG2 3.38Å; T445-V457 PolarHBondContact OG1-O 3.48Å; T445-G459 CarbonylContact C-O 3.5Å; T445-G459 WeakPolarHBondContact CA-O 3.43Å; T445-G459 VanDerWaalsContact CB-O 3.27Å; T445-G459 WeakPolarHBondContact CB-O 3.45Å; T445-L466 HydrophobicContact CG2-CD1 3.28Å; T445-L528 HydrophobicContact CG2-CB 4.12Å; T445-L528 HydrophobicContact CG2-CD2 3.73Å
446L96.6Very high93.6Very high12 Ų1218 Ų186%0.06311%0.114CC..EExtended strand (participates in β ladder)trans-147.5135.5176.7-170.470000110.4L278 I282 F432 S448 V457 G458 G459 V461L278-L446 HydrophobicContact CD1-CD2 3.75Å; I282-L446 HydrophobicContact CG2-CD2 3.56Å; F432-L446 HydrophobicContact CB-CD1 4.02Å; F432-L446 HydrophobicContact CD1-CD2 4.27Å; F432-L446 HydrophobicContact CD1-CG 4.27Å; L446-S448 PolarHBondContact O-N 3.41Å; L446-V457 PolarHBondContact N-O 3.09Å; L446-G458 VanDerWaalsContact C-CA 3.49Å; L446-G458 WeakPolarHBondContact O-CA 3.28Å; L446-G459 PolarHBondContact N-O 2.81Å; L446-G459 PolarHBondContact O-N 3.06Å; L446-V461 HydrophobicContact CB-CG1 3.95Å
447T95.2Very high93.7Very high4 Ų417.7 Ų17.73%0.02511%0.106CC..PPolyproline II helixtrans-61.5136174.953.20000110.8F432 E433 E451 G458F432-T447 VanDerWaalsContact CA-OG1 3.24Å; F432-T447 WeakPolarHBondContact CA-OG1 3.38Å; F432-T447 VanDerWaalsContact CD1-O 3.24Å; F432-T447 WeakPolarHBondContact CD1-O 3.29Å; E433-T447 HydrophobicContact CB-CG2 3.93Å; E433-T447 PolarHBondContact N-OG1 3.28Å; E433-T447 PolarHBondContact O-N 2.97Å; T447-E451 HydrophobicContact CG2-CB 4.49Å; T447-E451 HydrophobicContact CG2-CG 4.08Å; T447-G458 VanDerWaalsContact CA-CA 3.49Å
448S93.7Very high93.8Very high14 Ų1416.7 Ų16.710%0.09810%0.098CC..PPolyproline II helixtrans-65.7157.1-178.1-52.40000112.8Q32 L446 G450 E451Q32-S448 WeakPolarHBondContact CG-OG 3.47Å; L446-S448 PolarHBondContact O-N 3.41Å; S448-G450 PolarHBondContact O-N 3.06Å; S448-G450 VanDerWaalsContact O-N 3.07Å; S448-E451 WeakPolarHBondContact O-CB 2.99Å; S448-E451 PolarHBondContact O-N 3.01Å
449V91.2Very high93.9Very high0 Ų015.7 Ų15.70%09%0.092CC..THydrogen-bonded Turntrans-59.3117.2176-172.50000110.1F24 I25 S26 K285 I286 F432F24-V449 HydrophobicContact CD1-CG1 4.2Å; F24-V449 HydrophobicContact CD2-CG1 4.36Å; F24-V449 HydrophobicContact CE1-CG1 3.93Å; F24-V449 HydrophobicContact CE2-CG1 4.11Å; F24-V449 HydrophobicContact CG-CG1 4.4Å; F24-V449 HydrophobicContact CZ-CG1 3.88Å; F24-V449 WeakPolarHBondContact O-CG1 3.41Å; I25-V449 WeakPolarHBondContact CA-O 3.25Å; S26-V449 PolarHBondContact N-O 3.07Å; K285-V449 HydrophobicContact CD-CG1 4.3Å; K285-V449 HydrophobicContact CD-CG2 4.37Å; I286-V449 HydrophobicContact CD1-CG1 4.49Å; F432-V449 HydrophobicContact CE1-CB 4.46Å; F432-V449 HydrophobicContact CE1-CG2 3.93Å; F432-V449 HydrophobicContact CZ-CB 4.38Å; F432-V449 HydrophobicContact CZ-CG1 4.37Å; F432-V449 HydrophobicContact CZ-CG2 3.99Å
450G90.5Very high94Very high3 Ų314.5 Ų14.53%0.0319%0.087CC..THydrogen-bonded Turntrans92.914-177.300000114.8F384 S448 Y452F384-G450 WeakPolarHBondContact CZ-O 3.38Å; S448-G450 PolarHBondContact O-N 3.06Å; S448-G450 VanDerWaalsContact O-N 3.07Å; G450-Y452 PolarHBondContact O-N 2.84Å
451E92.8Very high94Very high4 Ų414.5 Ų14.52%0.0199%0.087CC..  trans-59.6132.6169.2-173.454.9-83.400111.4L29 Q32 H425 T447 S448 R453L29-E451 HydrophobicContact CD1-CB 4.17Å; Q32-E451 PolarHBondContact NE2-OE2 3.23Å; H425-E451 PolarHBondContact CE1-O 3.31Å; T447-E451 HydrophobicContact CG2-CB 4.49Å; T447-E451 HydrophobicContact CG2-CG 4.08Å; S448-E451 WeakPolarHBondContact O-CB 2.99Å; S448-E451 PolarHBondContact O-N 3.01Å; E451-R453 VanDerWaalsContact OE1-CB 3.27Å; E451-R453 WeakPolarHBondContact OE1-CB 3.3Å; E451-R453 IonicContact OE1-CZ 2.7Å; E451-R453 PolarHBondContact OE1-N 3.5Å; E451-R453 IonicContact OE1-NE 3.47Å; E451-R453 PolarHBondContact OE1-NE 2.93Å; E451-R453 IonicContact OE1-NH2 3.8Å; E451-R453 PolarHBondContact OE1-NH2 3.15Å; E451-R453 IonicContact OE2-CZ 2.75Å; E451-R453 IonicContact OE2-NE 2.91Å; E451-R453 PolarHBondContact OE2-NE 3.24Å; E451-R453 VanDerWaalsContact OE2-NE 3.16Å; E451-R453 IonicContact OE2-NH2 3.5Å; E451-R453 PolarHBondContact OE2-NH2 2.58Å
452Y91.2Very high94Very high59 Ų5917.3 Ų17.323%0.23110%0.098CC..  trans-126.8-15.2-179.471.9-91.1000112K380 G450K380-Y452 HydrophobicContact CB-CD2 3.74Å; K380-Y452 HydrophobicContact CB-CE2 3.89Å; K380-Y452 HydrophobicContact CB-CG 4.29Å; K380-Y452 HydrophobicContact CD-CD2 4.45Å; K380-Y452 HydrophobicContact CD-CE2 3.85Å; K380-Y452 HydrophobicContact CG-CD2 3.95Å; K380-Y452 HydrophobicContact CG-CE2 3.53Å; G450-Y452 PolarHBondContact O-N 2.84Å
453R91.1Very high94Very high40 Ų4019.2 Ų19.215%0.15112%0.118CC..  trans-71.3145.2171-66.9165.8-73.9-124.4-4.8108.4L29 N30 E451 E525L29-R453 VanDerWaalsContact CD1-NH2 3.34Å; L29-R453 PolarHBondContact O-NH2 3.15Å; N30-R453 PolarHBondContact OD1-NH1 3.4Å; N30-R453 VanDerWaalsContact OD1-NH1 3.07Å; E451-R453 VanDerWaalsContact OE1-CB 3.27Å; E451-R453 WeakPolarHBondContact OE1-CB 3.3Å; E451-R453 IonicContact OE1-CZ 2.7Å; E451-R453 PolarHBondContact OE1-N 3.5Å; E451-R453 IonicContact OE1-NE 3.47Å; E451-R453 PolarHBondContact OE1-NE 2.93Å; E451-R453 IonicContact OE1-NH2 3.8Å; E451-R453 PolarHBondContact OE1-NH2 3.15Å; E451-R453 IonicContact OE2-CZ 2.75Å; E451-R453 IonicContact OE2-NE 2.91Å; E451-R453 PolarHBondContact OE2-NE 3.24Å; E451-R453 VanDerWaalsContact OE2-NE 3.16Å; E451-R453 IonicContact OE2-NH2 3.5Å; E451-R453 PolarHBondContact OE2-NH2 2.58Å; R453-E525 WeakPolarHBondContact CD-OE1 3.48Å; R453-E525 IonicContact CZ-OE1 2.94Å; R453-E525 IonicContact NE-OE1 3.57Å; R453-E525 IonicContact NH1-OE1 2.74Å; R453-E525 PolarHBondContact NH1-OE1 3.21Å
454L90Very high94Very high55 Ų5518.1 Ų18.129%0.28811%0.11SC..  trans-111.6152.8-173.6-48.2179.4000109.7S421 K422S421-L454 WeakPolarHBondContact OG-CD2 3.32Å; K422-L454 HydrophobicContact CD-CD1 4.43Å; K422-L454 HydrophobicContact CG-CD1 3.49Å; K422-L454 VanDerWaalsContact CG-CD1 3.49Å
455G86.1Confident94Very high41 Ų4120.5 Ų20.542%0.42312%0.122SC..SBendtrans8019.4173.700000114.4K529G455-K529 WeakPolarHBondContact O-CG 3.43Å
456T93Very high94.1Very high12 Ų1220.5 Ų20.57%0.07412%0.122CC..  trans-119.2157.5168.374.90000109.3T523 S527 L528T456-T523 HydrophobicContact CG2-CG2 3.75Å; T456-S527 WeakPolarHBondContact CB-OG 3.48Å; T456-S527 PolarHBondContact OG1-OG 3.18Å; T456-L528 CarbonylContact C-O 3.53Å; T456-L528 WeakPolarHBondContact CA-O 3.4Å; T456-L528 WeakPolarHBondContact CB-O 3.48Å
457V94.2Very high94.1Very high22 Ų2220.9 Ų20.913%0.13312%0.123CC..  trans-107.217.8176.1-65.30000111.5E433 Y435 T445 L446 L528 I530E433-V457 CarbonylContact O-C 3.48Å; Y435-V457 HydrophobicContact CG-CG2 4.3Å; T445-V457 CarbonylContact C-O 3.58Å; T445-V457 VanDerWaalsContact C-O 3.31Å; T445-V457 VanDerWaalsContact CB-O 3.24Å; T445-V457 WeakPolarHBondContact CB-O 3.4Å; T445-V457 WeakPolarHBondContact OG1-CG2 3.38Å; T445-V457 PolarHBondContact OG1-O 3.48Å; L446-V457 PolarHBondContact N-O 3.09Å; V457-L528 HydrophobicContact CG2-CB 3.97Å; V457-L528 HydrophobicContact CG2-CD2 4.22Å; V457-L528 HydrophobicContact CG2-CG 4.2Å; V457-L528 VanDerWaalsContact CG2-O 3.27Å; V457-L528 WeakPolarHBondContact CG2-O 3.25Å; V457-L528 PolarHBondContact N-O 2.98Å; V457-I530 HydrophobicContact CG1-CG1 4.02Å; V457-I530 HydrophobicContact CG2-CD1 3.88Å; V457-I530 HydrophobicContact CG2-CG1 3.85Å
458G95.3Very high94.3Very high0 Ų021.4 Ų21.40%013%0.125CC..  trans84.6-173170.600000116.7L446 T447 S527 L528L446-G458 VanDerWaalsContact C-CA 3.49Å; L446-G458 WeakPolarHBondContact O-CA 3.28Å; T447-G458 VanDerWaalsContact CA-CA 3.49Å; G458-S527 VanDerWaalsContact C-OG 3.3Å; G458-S527 WeakPolarHBondContact CA-OG 3.36Å; G458-S527 PolarHBondContact N-OG 3.34Å; G458-S527 CarbonylContact O-C 3.55Å; G458-S527 WeakPolarHBondContact O-CA 3.3Å; G458-S527 PolarHBondContact O-OG 2.86Å; G458-L528 PolarHBondContact O-N 2.84Å
459G96.7Very high94.4Very high3 Ų322.1 Ų22.13%0.03113%0.129CC..EExtended strand (participates in β ladder)trans-81171176.500000112.7Q32 T445 L446 V461Q32-G459 WeakPolarHBondContact O-CA 3.43Å; T445-G459 CarbonylContact C-O 3.5Å; T445-G459 WeakPolarHBondContact CA-O 3.43Å; T445-G459 VanDerWaalsContact CB-O 3.27Å; T445-G459 WeakPolarHBondContact CB-O 3.45Å; L446-G459 PolarHBondContact N-O 2.81Å; L446-G459 PolarHBondContact O-N 3.06Å; G459-V461 PolarHBondContact O-N 2.61Å
460V97.9Very high94.6Very high3 Ų326 Ų262%0.01815%0.15CC..EExtended strand (participates in β ladder)trans-63.1132.7176.2-172.50000109.9R43 S45 V464 L466 W522R43-V460 HydrophobicContact CB-CG2 4.18Å; S45-V460 WeakPolarHBondContact CA-O 3.28Å; S45-V460 WeakPolarHBondContact CB-O 3.3Å; S45-V460 PolarHBondContact OG-O 3.24Å; V460-V464 HydrophobicContact CG1-CB 4.04Å; V460-V464 HydrophobicContact CG1-CG1 4.1Å; V460-V464 WeakPolarHBondContact CG1-O 3.45Å; V460-L466 HydrophobicContact CG1-CD1 4.48Å; V460-L466 HydrophobicContact CG1-CG 4.04Å; V460-L466 HydrophobicContact CG2-CB 4.09Å; V460-L466 HydrophobicContact CG2-CD1 4.02Å; V460-L466 HydrophobicContact CG2-CG 4.02Å; V460-W522 HydrophobicContact CG2-CH2 3.73Å; V460-W522 HydrophobicContact CG2-CZ3 4.3Å
461V97Very high94.7Very high0 Ų026.3 Ų26.30%015%0.151CC..PPolyproline II helixtrans-69.5161.9176.2-59.50000111.7S277 S281 C443 I444 L446 G459 V464S277-V461 WeakPolarHBondContact OG-CB 3.18Å; S277-V461 VanDerWaalsContact OG-CG2 3.23Å; S277-V461 WeakPolarHBondContact OG-CG2 3.37Å; S281-V461 WeakPolarHBondContact OG-CA 3.3Å; S281-V461 VanDerWaalsContact OG-CB 3.3Å; S281-V461 WeakPolarHBondContact OG-CB 3.48Å; C443-V461 WeakPolarHBondContact O-CG2 3.33Å; I444-V461 WeakPolarHBondContact O-CG2 3.33Å; I444-V461 PolarHBondContact O-N 3.13Å; L446-V461 HydrophobicContact CB-CG1 3.95Å; G459-V461 PolarHBondContact O-N 2.61Å; V461-V464 HydrophobicContact CG2-CB 3.88Å; V461-V464 HydrophobicContact CG2-CG2 3.53Å; V461-V464 PolarHBondContact O-N 3.33Å
462Y95.4Very high94.2Very high58 Ų5831.5 Ų31.523%0.22719%0.185CC..THydrogen-bonded Turntrans-60.3141.7179.8175.1-95.7000111.6K49 S277 E280 S281 V464K49-Y462 HydrophobicContact CB-CE1 4.49Å; K49-Y462 HydrophobicContact CB-CE2 3.81Å; K49-Y462 WeakPolarHBondContact CB-OH 3.3Å; K49-Y462 HydrophobicContact CD-CE1 4.5Å; K49-Y462 WeakPolarHBondContact CD-OH 3.29Å; K49-Y462 HydrophobicContact CG-CE1 4.39Å; S277-Y462 WeakPolarHBondContact CB-O 3.29Å; S277-Y462 PolarHBondContact OG-N 3.33Å; S277-Y462 PolarHBondContact OG-O 3.25Å; E280-Y462 HydrophobicContact CB-CD1 4.02Å; E280-Y462 HydrophobicContact CB-CD2 4.45Å; E280-Y462 HydrophobicContact CB-CG 3.75Å; E280-Y462 HydrophobicContact CG-CD1 3.84Å; E280-Y462 HydrophobicContact CG-CE1 4.36Å; E280-Y462 HydrophobicContact CG-CG 4Å; S281-Y462 PolarHBondContact OG-N 2.87Å; Y462-V464 PolarHBondContact O-N 2.91Å
463G94.2Very high93.7Very high48 Ų4836.5 Ų36.550%0.49522%0.216SC..THydrogen-bonded Turntrans73.15.2177.300000116
464V97.2Very high93.1Very high2 Ų235.7 Ų35.71%0.01221%0.214CC..EExtended strand (participates in β ladder)trans-113.6146.3174.3176.60000110I444 V460 V461 Y462 L466 Q492I444-V464 HydrophobicContact CB-CG1 4.21Å; I444-V464 HydrophobicContact CG2-CG1 4.22Å; V460-V464 HydrophobicContact CG1-CB 4.04Å; V460-V464 HydrophobicContact CG1-CG1 4.1Å; V460-V464 WeakPolarHBondContact CG1-O 3.45Å; V461-V464 HydrophobicContact CG2-CB 3.88Å; V461-V464 HydrophobicContact CG2-CG2 3.53Å; V461-V464 PolarHBondContact O-N 3.33Å; Y462-V464 PolarHBondContact O-N 2.91Å; V464-L466 HydrophobicContact CG1-CD2 3.88Å; V464-L466 HydrophobicContact CG1-CG 4.24Å; V464-Q492 HydrophobicContact CG2-CG 3.84Å; V464-Q492 VanDerWaalsContact CG2-NE2 3.31Å
465E97.9Very high92.7Very high50 Ų5036.4 Ų36.423%0.23422%0.218CC..EExtended strand (participates in β ladder)trans-113139.1164.9-59.5-170.5105.400109.5S36 R43 R44 R489 W513S36-E465 PolarHBondContact OG-OE1 3.36Å; R43-E465 CarbonylContact O-C 3.58Å; R43-E465 VanDerWaalsContact O-CA 3.29Å; R43-E465 WeakPolarHBondContact O-CA 3.46Å; R44-E465 HydrophobicContact CB-CG 4.48Å; E465-R489 PolarHBondContact N-O 3.46Å; E465-R489 PolarHBondContact O-N 3.02Å; E465-R489 IonicContact OE2-CZ 2.98Å; E465-R489 IonicContact OE2-NE 3.51Å; E465-R489 PolarHBondContact OE2-NE 2.97Å; E465-R489 IonicContact OE2-NH2 2.83Å; E465-R489 PolarHBondContact OE2-NH2 3.06Å; E465-W513 HydrophobicContact CB-CH2 3.78Å; E465-W513 HydrophobicContact CB-CZ3 4.18Å; E465-W513 WeakPolarHBondContact O-CZ3 3.23Å
466L98.4Very high92.7Very high0 Ų034.6 Ų34.60%020%0.199CC..EExtended strand (participates in β ladder)trans-123.8138.3173.6-63.5-170.9000110.7A42 R43 I444 T445 V460 V464 I486 C487 A488 W522 L528A42-L466 CarbonylContact C-O 3.41Å; A42-L466 WeakPolarHBondContact CA-O 3.19Å; R43-L466 PolarHBondContact N-O 3.35Å; R43-L466 PolarHBondContact O-N 2.87Å; I444-L466 HydrophobicContact CB-CD2 4.25Å; I444-L466 HydrophobicContact CD1-CD2 3.99Å; I444-L466 HydrophobicContact CG1-CD2 4.45Å; T445-L466 HydrophobicContact CG2-CD1 3.28Å; V460-L466 HydrophobicContact CG1-CD1 4.48Å; V460-L466 HydrophobicContact CG1-CG 4.04Å; V460-L466 HydrophobicContact CG2-CB 4.09Å; V460-L466 HydrophobicContact CG2-CD1 4.02Å; V460-L466 HydrophobicContact CG2-CG 4.02Å; V464-L466 HydrophobicContact CG1-CD2 3.88Å; V464-L466 HydrophobicContact CG1-CG 4.24Å; L466-I486 HydrophobicContact CD1-CG2 4.5Å; L466-I486 HydrophobicContact CD2-CG2 4.44Å; L466-C487 VanDerWaalsContact CA-O 3.31Å; L466-C487 WeakPolarHBondContact CA-O 3.43Å; L466-A488 HydrophobicContact CD2-CB 3.39Å; L466-W522 HydrophobicContact CB-CH2 4.11Å; L466-W522 HydrophobicContact CB-CZ2 4.07Å; L466-W522 HydrophobicContact CD1-CH2 4.2Å; L466-L528 HydrophobicContact CD1-CD2 4.31Å
467K97.8Very high92.6Very high21 Ų2136 Ų369%0.09121%0.208CC..EExtended strand (participates in β ladder)trans-127.5156.8167.367.8-179.7180-176.80109.8A42 V469 C487 D509 W513A42-K467 HydrophobicContact CB-CB 4.17Å; K467-V469 HydrophobicContact CD-CG1 3.8Å; K467-V469 VanDerWaalsContact CE-CG1 3.42Å; K467-V469 HydrophobicContact CG-CG1 3.91Å; K467-C487 HydrophobicContact CD-CB 4.47Å; K467-C487 HydrophobicContact CG-CB 3.75Å; K467-C487 PolarHBondContact N-O 2.96Å; K467-C487 PolarHBondContact O-N 2.92Å; K467-D509 IonicContact NZ-OD2 3.12Å; K467-W513 HydrophobicContact CB-CH2 4.14Å; K467-W513 HydrophobicContact CB-CZ3 4.22Å; K467-W513 HydrophobicContact CD-CD2 3.88Å; K467-W513 HydrophobicContact CD-CE3 4.14Å; K467-W513 HydrophobicContact CD-CG 4.45Å; K467-W513 HydrophobicContact CD-CH2 4.08Å; K467-W513 HydrophobicContact CD-CZ2 3.81Å; K467-W513 HydrophobicContact CD-CZ3 4.24Å; K467-W513 VanDerWaalsContact CE-CG 3.47Å; K467-W513 HydrophobicContact CG-CD2 4.16Å; K467-W513 HydrophobicContact CG-CE3 3.89Å; K467-W513 HydrophobicContact CG-CH2 3.96Å; K467-W513 HydrophobicContact CG-CZ2 4.21Å; K467-W513 HydrophobicContact CG-CZ3 3.78Å
468L98.2Very high92.6Very high15 Ų1536.9 Ų36.98%0.07921%0.213CC..EExtended strand (participates in β ladder)trans-98.5131.8164.3-58.8179.5000107.2V478 E485 I486 G520 W522 L528L468-V478 HydrophobicContact CB-CG1 4.06Å; L468-V478 HydrophobicContact CB-CG2 3.87Å; L468-E485 CarbonylContact C-O 3.58Å; L468-E485 VanDerWaalsContact CA-O 3.27Å; L468-E485 WeakPolarHBondContact CA-O 3.29Å; L468-I486 HydrophobicContact CD2-CB 4.48Å; L468-I486 HydrophobicContact CD2-CG1 3.78Å; L468-G520 WeakPolarHBondContact CD1-O 3.42Å; L468-W522 VanDerWaalsContact CD1-CD1 3.5Å; L468-W522 HydrophobicContact CD1-CG 4.39Å; L468-L528 HydrophobicContact CD2-CD1 4.37Å
469V97.2Very high92.5Very high29 Ų2942.3 Ų42.318%0.17625%0.251CS..EExtended strand (participates in β ladder)trans-114.7152176-58.70000111.4K467 G484 E485 C487K467-V469 HydrophobicContact CD-CG1 3.8Å; K467-V469 VanDerWaalsContact CE-CG1 3.42Å; K467-V469 HydrophobicContact CG-CG1 3.91Å; V469-G484 CarbonylContact O-C 3.57Å; V469-G484 WeakPolarHBondContact O-CA 3.33Å; V469-E485 HydrophobicContact CG2-CB 3.77Å; V469-E485 HydrophobicContact CG2-CG 4.32Å; V469-E485 PolarHBondContact N-O 3.21Å; V469-E485 PolarHBondContact O-N 2.57Å; V469-C487 HydrophobicContact CG1-CB 4.41Å; V469-C487 VanDerWaalsContact CG2-SG 3.51Å
470D95.1Very high92.3Very high82 Ų8248.5 Ų48.544%0.43927%0.273SS..  trans-59.5149.8173.3-62.5-14.6000110.2P472 L476 V477 V478D470-P472 WeakPolarHBondContact O-CD 3.5Å; D470-L476 CarbonylContact C-O 3.53Å; D470-L476 WeakPolarHBondContact CA-O 3.31Å; D470-L476 WeakPolarHBondContact CB-O 3.46Å; D470-V477 WeakPolarHBondContact OD1-CA 3.05Å; D470-V478 WeakPolarHBondContact OD1-CG2 3.42Å; D470-V478 PolarHBondContact OD1-N 3.05Å
471V91.1Very high92Very high9 Ų950.8 Ų50.86%0.05529%0.285CS..BIsolated β-bridgetrans-121.989.3175.8-172.40000107.9D473 L474 D475 L476 E485 I519 V534V471-D473 VanDerWaalsContact C-N 3.31Å; V471-D473 PolarHBondContact O-N 3.26Å; V471-L474 HydrophobicContact CB-CB 4.21Å; V471-L474 HydrophobicContact CB-CD1 4.49Å; V471-L474 HydrophobicContact CG1-CB 3.91Å; V471-L474 HydrophobicContact CG1-CD1 3.91Å; V471-L474 HydrophobicContact CG1-CG 3.82Å; V471-L474 CarbonylContact O-C 3.52Å; V471-L474 WeakPolarHBondContact O-CA 3.46Å; V471-L474 PolarHBondContact O-N 3.13Å; V471-D475 PolarHBondContact O-N 2.9Å; V471-L476 HydrophobicContact CB-CB 4.22Å; V471-L476 PolarHBondContact N-O 3.05Å; V471-L476 PolarHBondContact O-N 3.21Å; V471-L476 VanDerWaalsContact O-N 3.13Å; V471-E485 HydrophobicContact CG2-CB 3.72Å; V471-I519 HydrophobicContact CG2-CD1 3.81Å; V471-V534 HydrophobicContact CG1-CG1 3.87Å; V471-V534 HydrophobicContact CG2-CG2 4.5Å
472P83.3Confident91.8Very high112 Ų11253 Ų5373%0.72731%0.308SS*.G310 helixtrans-58.7-38.6-173.5-27.235.7000113.8D470 L474 D475D470-P472 WeakPolarHBondContact O-CD 3.5Å; P472-L474 PolarHBondContact O-N 2.74Å; P472-D475 PolarHBondContact O-N 3.33Å
473D80.1Confident91.7Very high164 Ų16453.9 Ų53.988%0.87731%0.311SS*.G310 helixtrans-60.3-27176.7-68.6-13.3000112.6V471V471-D473 VanDerWaalsContact C-N 3.31Å; V471-D473 PolarHBondContact O-N 3.26Å
474L79.6Confident91.8Very high24 Ų2451.6 Ų51.613%0.12629%0.288CS..G310 helixtrans-101.97.4174.5-64.7-177.9000112V471 P472 L476 V534 I537 Y545V471-L474 HydrophobicContact CB-CB 4.21Å; V471-L474 HydrophobicContact CB-CD1 4.49Å; V471-L474 HydrophobicContact CG1-CB 3.91Å; V471-L474 HydrophobicContact CG1-CD1 3.91Å; V471-L474 HydrophobicContact CG1-CG 3.82Å; V471-L474 CarbonylContact O-C 3.52Å; V471-L474 WeakPolarHBondContact O-CA 3.46Å; V471-L474 PolarHBondContact O-N 3.13Å; P472-L474 PolarHBondContact O-N 2.74Å; L474-L476 HydrophobicContact CB-CB 4.39Å; L474-L476 HydrophobicContact CB-CD1 3.87Å; L474-L476 HydrophobicContact CB-CG 3.88Å; L474-L476 HydrophobicContact CD1-CD1 3.78Å; L474-L476 PolarHBondContact O-N 2.74Å; L474-V534 HydrophobicContact CD1-CG1 4.35Å; L474-I537 HydrophobicContact CD1-CB 3.97Å; L474-I537 HydrophobicContact CD1-CD1 4.39Å; L474-I537 HydrophobicContact CD1-CG2 4.03Å; L474-I537 HydrophobicContact CD2-CG2 4.27Å; L474-Y545 HydrophobicContact CB-CE1 4.34Å; L474-Y545 WeakPolarHBondContact O-CE1 3.34Å; L474-Y545 PolarHBondContact O-OH 2.74Å
475D81.1Confident91.8Very high69 Ų6952.7 Ų52.737%0.36929%0.293SS..THydrogen-bonded Turntrans37.750.1-171.2169.337.7000110.8V471 P472 R480 K539 Y545V471-D475 PolarHBondContact O-N 2.9Å; P472-D475 PolarHBondContact O-N 3.33Å; D475-R480 PolarHBondContact O-NH2 2.91Å; D475-R480 IonicContact OD1-CZ 2.89Å; D475-R480 IonicContact OD1-NH1 2.65Å; D475-R480 PolarHBondContact OD1-NH1 3.48Å; D475-R480 IonicContact OD1-NH2 3.27Å; D475-R480 IonicContact OD2-NH1 2.8Å; D475-K539 IonicContact OD2-NZ 2.67Å; D475-K539 PolarHBondContact OD2-NZ 2.84Å; D475-Y545 WeakPolarHBondContact CB-OH 3.14Å; D475-Y545 PolarHBondContact O-OH 3.5Å
476L85.3Confident91.8Very high4 Ų450.4 Ų50.42%0.02128%0.282CS..BIsolated β-bridgetrans-107.2120.2174.5-76.8174.9000107.4D470 V471 L474 R483 I519 Y545D470-L476 CarbonylContact C-O 3.53Å; D470-L476 WeakPolarHBondContact CA-O 3.31Å; D470-L476 WeakPolarHBondContact CB-O 3.46Å; V471-L476 HydrophobicContact CB-CB 4.22Å; V471-L476 PolarHBondContact N-O 3.05Å; V471-L476 PolarHBondContact O-N 3.21Å; V471-L476 VanDerWaalsContact O-N 3.13Å; L474-L476 HydrophobicContact CB-CB 4.39Å; L474-L476 HydrophobicContact CB-CD1 3.87Å; L474-L476 HydrophobicContact CB-CG 3.88Å; L474-L476 HydrophobicContact CD1-CD1 3.78Å; L474-L476 PolarHBondContact O-N 2.74Å; L476-R483 HydrophobicContact CD2-CG 4.42Å; L476-I519 HydrophobicContact CD1-CD1 4.34Å; L476-Y545 HydrophobicContact CD2-CD2 3.72Å; L476-Y545 HydrophobicContact CD2-CE2 3.72Å; L476-Y545 HydrophobicContact CD2-CG 4.2Å; L476-Y545 HydrophobicContact CG-CE2 4.39Å
477V91.2Very high91.8Very high42 Ų4250.4 Ų50.426%0.25528%0.282SS..  trans-119.7119.6-179179.10000108.4D470 S479 R480 D481D470-V477 WeakPolarHBondContact OD1-CA 3.05Å; V477-S479 VanDerWaalsContact C-N 3.29Å; V477-S479 WeakPolarHBondContact CG1-OG 3.39Å; V477-S479 PolarHBondContact O-N 3.19Å; V477-R480 HydrophobicContact CB-CB 4.07Å; V477-R480 HydrophobicContact CG1-CB 4.31Å; V477-R480 PolarHBondContact O-N 2.92Å; V477-D481 PolarHBondContact N-OD2 3.05Å; V477-D481 WeakPolarHBondContact O-CB 2.87Å; V477-D481 PolarHBondContact O-N 2.66Å
478V94.5Very high91.8Very high39 Ų3949.4 Ų49.424%0.23628%0.277CS..Hα-helixtrans-57.4-42.2-171.61750000111.9L468 D470 R480 G482 R483L468-V478 HydrophobicContact CB-CG1 4.06Å; L468-V478 HydrophobicContact CB-CG2 3.87Å; D470-V478 WeakPolarHBondContact OD1-CG2 3.42Å; D470-V478 PolarHBondContact OD1-N 3.05Å; V478-R480 VanDerWaalsContact C-N 3.3Å; V478-R480 PolarHBondContact O-N 3.26Å; V478-G482 VanDerWaalsContact O-CA 3.27Å; V478-G482 WeakPolarHBondContact O-CA 3.2Å; V478-G482 PolarHBondContact O-N 3.48Å; V478-R483 WeakPolarHBondContact CA-O 3.11Å
479S94.3Very high91.8Very high115 Ų11552.7 Ų52.780%0.80429%0.289SS*.Hα-helixtrans-68.4-27.8-179.860.50000113.5V477V477-S479 VanDerWaalsContact C-N 3.29Å; V477-S479 WeakPolarHBondContact CG1-OG 3.39Å; V477-S479 PolarHBondContact O-N 3.19Å
480R92.3Very high91.7Very high132 Ų13252.2 Ų52.250%0.49829%0.29SS..Hα-helixtrans-86.6-45178.5-173.1-172.369.4-157.7-3.8111.6D475 V477 V478D475-R480 PolarHBondContact O-NH2 2.91Å; D475-R480 IonicContact OD1-CZ 2.89Å; D475-R480 IonicContact OD1-NH1 2.65Å; D475-R480 PolarHBondContact OD1-NH1 3.48Å; D475-R480 IonicContact OD1-NH2 3.27Å; D475-R480 IonicContact OD2-NH1 2.8Å; V477-R480 HydrophobicContact CB-CB 4.07Å; V477-R480 HydrophobicContact CG1-CB 4.31Å; V477-R480 PolarHBondContact O-N 2.92Å; V478-R480 VanDerWaalsContact C-N 3.3Å; V478-R480 PolarHBondContact O-N 3.26Å
481D90Very high91.7Very high51 Ų5152.6 Ų52.627%0.27329%0.292SS..Hα-helixtrans-105.5-9.7-165.6-53.6-43.7000113.5V477 R483V477-D481 PolarHBondContact N-OD2 3.05Å; V477-D481 WeakPolarHBondContact O-CB 2.87Å; V477-D481 PolarHBondContact O-N 2.66Å; D481-R483 HydrophobicContact CB-CG 4Å; D481-R483 PolarHBondContact O-N 3.31Å
482G93.1Very high91.8Very high46 Ų4652.3 Ų52.347%0.47429%0.29SS..SBendtrans68.412.3-17800000114.5V478 E521V478-G482 VanDerWaalsContact O-CA 3.27Å; V478-G482 WeakPolarHBondContact O-CA 3.2Å; V478-G482 PolarHBondContact O-N 3.48Å; G482-E521 WeakPolarHBondContact O-CB 3.17Å
483R94.5Very high92.5Very high78 Ų7847.3 Ų47.329%0.29426%0.257SS..EExtended strand (participates in β ladder)trans-144.7154.6-177.265.8-175.758.6-178.5-8.9111.8L476 V478 D481 I519 G520 E521L476-R483 HydrophobicContact CD2-CG 4.42Å; V478-R483 WeakPolarHBondContact CA-O 3.11Å; D481-R483 HydrophobicContact CB-CG 4Å; D481-R483 PolarHBondContact O-N 3.31Å; R483-I519 HydrophobicContact CB-CG2 4.16Å; R483-I519 HydrophobicContact CG-CG2 4.41Å; R483-G520 VanDerWaalsContact CA-O 3.24Å; R483-G520 WeakPolarHBondContact CA-O 3.42Å; R483-G520 WeakPolarHBondContact CB-O 3.03Å; R483-E521 HydrophobicContact CB-CB 4.15Å; R483-E521 IonicContact CZ-OE2 3.89Å; R483-E521 IonicContact NE-OE2 3.52Å; R483-E521 IonicContact NH2-OE2 3.16Å; R483-E521 PolarHBondContact NH2-OE2 3.1Å
484G95.5Very high93.3Very high0 Ų039.7 Ų39.70%022%0.217CC..EExtended strand (participates in β ladder)trans-170-179.817800000112V469 I486 I519 G520V469-G484 CarbonylContact O-C 3.57Å; V469-G484 WeakPolarHBondContact O-CA 3.33Å; G484-I486 PolarHBondContact O-N 3.43Å; G484-I519 CarbonylContact O-C 3.6Å; G484-I519 VanDerWaalsContact O-CA 3.31Å; G484-I519 WeakPolarHBondContact O-CA 3.49Å; G484-G520 PolarHBondContact N-O 2.93Å; G484-G520 PolarHBondContact O-N 3.31Å
485E97.1Very high94.1Very high25 Ų2545.3 Ų45.312%0.11724%0.24CC..EExtended strand (participates in β ladder)trans-64.5133.4173.9173.7178.1-147.100110.1L468 V469 V471 C487 H515 G517 D518 I519 V534L468-E485 CarbonylContact C-O 3.58Å; L468-E485 VanDerWaalsContact CA-O 3.27Å; L468-E485 WeakPolarHBondContact CA-O 3.29Å; V469-E485 HydrophobicContact CG2-CB 3.77Å; V469-E485 HydrophobicContact CG2-CG 4.32Å; V469-E485 PolarHBondContact N-O 3.21Å; V469-E485 PolarHBondContact O-N 2.57Å; V471-E485 HydrophobicContact CG2-CB 3.72Å; E485-C487 PolarHBondContact O-N 2.98Å; E485-H515 WeakPolarHBondContact OE1-CB 3.15Å; E485-H515 IonicContact OE1-ND1 3.96Å; E485-H515 IonicContact OE2-CE1 3.71Å; E485-H515 IonicContact OE2-CG 2.87Å; E485-H515 IonicContact OE2-ND1 3.43Å; E485-H515 PolarHBondContact OE2-ND1 3.5Å; E485-G517 VanDerWaalsContact OE1-CA 3.26Å; E485-G517 WeakPolarHBondContact OE1-CA 3.35Å; E485-G517 PolarHBondContact OE1-N 3.21Å; E485-D518 CarbonylContact C-O 3.6Å; E485-D518 WeakPolarHBondContact CA-O 3.24Å; E485-I519 HydrophobicContact CB-CD1 4.2Å; E485-V534 HydrophobicContact CB-CG2 4.07Å; E485-V534 HydrophobicContact CG-CG2 4.16Å
486I98.1Very high94.8Very high1 Ų142 Ų421%0.00522%0.223CC..EExtended strand (participates in β ladder)trans-76.9118175.2-58.3153.4000108Y435 L466 L468 G484 T516 D518 L528 I530Y435-I486 HydrophobicContact CE1-CD1 3.96Å; Y435-I486 HydrophobicContact CE1-CG2 4.18Å; L466-I486 HydrophobicContact CD1-CG2 4.5Å; L466-I486 HydrophobicContact CD2-CG2 4.44Å; L468-I486 HydrophobicContact CD2-CB 4.48Å; L468-I486 HydrophobicContact CD2-CG1 3.78Å; G484-I486 PolarHBondContact O-N 3.43Å; I486-T516 HydrophobicContact CG2-CG2 4.39Å; I486-T516 WeakPolarHBondContact O-CB 3.41Å; I486-T516 VanDerWaalsContact O-CG2 3.26Å; I486-T516 WeakPolarHBondContact O-CG2 3.34Å; I486-T516 PolarHBondContact O-N 3.25Å; I486-T516 PolarHBondContact O-OG1 3.48Å; I486-D518 HydrophobicContact CD1-CB 4.1Å; I486-D518 PolarHBondContact N-O 2.88Å; I486-L528 HydrophobicContact CD1-CD2 3.85Å; I486-L528 HydrophobicContact CG1-CD1 4.41Å; I486-L528 HydrophobicContact CG1-CD2 4.2Å; I486-L528 HydrophobicContact CG2-CD2 4.32Å; I486-I530 HydrophobicContact CD1-CD1 3.51Å
487C98.4Very high95.4Very high0 Ų042.4 Ų42.40%022%0.224CC..EExtended strand (participates in β ladder)trans-109.5136.8172-70.90000109.8L466 K467 V469 E485 W513 I514L466-C487 VanDerWaalsContact CA-O 3.31Å; L466-C487 WeakPolarHBondContact CA-O 3.43Å; K467-C487 HydrophobicContact CD-CB 4.47Å; K467-C487 HydrophobicContact CG-CB 3.75Å; K467-C487 PolarHBondContact N-O 2.96Å; K467-C487 PolarHBondContact O-N 2.92Å; V469-C487 HydrophobicContact CG1-CB 4.41Å; V469-C487 VanDerWaalsContact CG2-SG 3.51Å; E485-C487 PolarHBondContact O-N 2.98Å; C487-W513 HydrophobicContact CB-CB 4.12Å; C487-W513 HydrophobicContact CB-CD2 4.35Å; C487-W513 HydrophobicContact CB-CE3 3.86Å; C487-W513 HydrophobicContact CB-CG 4.48Å; C487-I514 CarbonylContact C-O 3.46Å; C487-I514 VanDerWaalsContact CA-O 3.22Å; C487-I514 WeakPolarHBondContact CA-O 3.48Å
488A98.4Very high95.7Very high0 Ų041.1 Ų41.10%022%0.215CC..EExtended strand (participates in β ladder)trans-121.1141.9-179.200000112.5I444 L466 I514I444-A488 HydrophobicContact CD1-CB 3.94Å; I444-A488 HydrophobicContact CG2-CB 4.33Å; L466-A488 HydrophobicContact CD2-CB 3.39Å; A488-I514 PolarHBondContact N-O 2.97Å; A488-I514 PolarHBondContact O-N 3.12Å
489R97.4Very high95.8Very high84 Ų8444.9 Ų44.932%0.31723%0.228SC..EExtended strand (participates in β ladder)trans-141.8143.1173.5-176.8174.769.8-174.61.1110E465 D511 G512 W513E465-R489 PolarHBondContact N-O 3.46Å; E465-R489 PolarHBondContact O-N 3.02Å; E465-R489 IonicContact OE2-CZ 2.98Å; E465-R489 IonicContact OE2-NE 3.51Å; E465-R489 PolarHBondContact OE2-NE 2.97Å; E465-R489 IonicContact OE2-NH2 2.83Å; E465-R489 PolarHBondContact OE2-NH2 3.06Å; R489-D511 WeakPolarHBondContact CD-O 3.42Å; R489-D511 PolarHBondContact NH1-O 2.7Å; R489-D511 VanDerWaalsContact NH1-O 3.15Å; R489-G512 WeakPolarHBondContact CG-O 3.42Å; R489-W513 HydrophobicContact CB-CD2 3.82Å; R489-W513 HydrophobicContact CB-CE3 3.61Å; R489-W513 HydrophobicContact CB-CG 4.43Å; R489-W513 HydrophobicContact CB-CH2 4.27Å; R489-W513 HydrophobicContact CB-CZ2 4.46Å; R489-W513 HydrophobicContact CB-CZ3 3.85Å
490G96Very high95.8Very high19 Ų1941.4 Ų41.420%0.19620%0.201CC..EExtended strand (participates in β ladder)trans171.1166.817400000112.1Q492 C493G490-Q492 PolarHBondContact O-N 2.81Å; G490-Q492 VanDerWaalsContact O-N 3.1Å; G490-C493 WeakPolarHBondContact O-CB 3.38Å; G490-C493 PolarHBondContact O-N 2.79Å
491D93.6Very high96Very high91 Ų9140.1 Ų40.149%0.48721%0.209SC..THydrogen-bonded Turntrans-63.5-16.2-179.9-9627.5000113.7K269 R273K269-D491 WeakPolarHBondContact CE-OD2 3.27Å; K269-D491 IonicContact NZ-OD2 2.74Å; K269-D491 PolarHBondContact NZ-OD2 2.93Å; R273-D491 HydrophobicContact CG-CB 4.46Å
492Q94.9Very high96.3Very high3 Ų342.2 Ų42.21%0.01422%0.224CC..THydrogen-bonded Turntrans-88.1-12174.972.3179.144.800113.8R273 S277 I441 C443 V464 G490R273-Q492 HydrophobicContact CB-CB 4.01Å; S277-Q492 PolarHBondContact OG-OE1 3.26Å; I441-Q492 WeakPolarHBondContact CB-O 3.47Å; I441-Q492 WeakPolarHBondContact CG1-O 3.26Å; C443-Q492 PolarHBondContact O-NE2 2.87Å; V464-Q492 HydrophobicContact CG2-CG 3.84Å; V464-Q492 VanDerWaalsContact CG2-NE2 3.31Å; G490-Q492 PolarHBondContact O-N 2.81Å; G490-Q492 VanDerWaalsContact O-N 3.1Å
493C97.4Very high96.2Very high6 Ų643.7 Ų43.74%0.04122%0.217CC..SBendtrans-77.4143.8-174.5-70.30000111.6G490 I514G490-C493 WeakPolarHBondContact O-CB 3.38Å; G490-C493 PolarHBondContact O-N 2.79Å; C493-I514 HydrophobicContact CB-CD1 3.61Å; C493-I514 HydrophobicContact CB-CG1 4.48Å
494S97.1Very high96.3Very high4 Ų441.4 Ų41.43%0.02821%0.212CC..  trans-60154.7179.8-177.80000112.6V264 L265 E439 G496 I508V264-S494 WeakPolarHBondContact CG1-OG 3.31Å; L265-S494 WeakPolarHBondContact O-CB 3.5Å; L265-S494 PolarHBondContact O-OG 3.43Å; E439-S494 WeakPolarHBondContact O-CB 3.42Å; E439-S494 PolarHBondContact O-N 3.43Å; S494-G496 VanDerWaalsContact C-N 3.34Å; S494-G496 PolarHBondContact OG-N 3.45Å; S494-G496 VanDerWaalsContact OG-N 3.09Å; S494-G496 PolarHBondContact OG-O 3.04Å; S494-I508 WeakPolarHBondContact O-CD1 3.41Å
495K95.4Very high96.4Very high142 Ų14244.9 Ų44.962%0.61724%0.24SC*.  trans-84.9-0.6169.4-56.2-51.1175.6-1690114.8E270E270-K495 VanDerWaalsContact OE1-CE 3.31Å; E270-K495 WeakPolarHBondContact OE1-CE 3.44Å; E270-K495 WeakPolarHBondContact OE1-CG 3.34Å
496G97.2Very high96.2Very high0 Ų048.9 Ų48.90%026%0.259CS..  trans130.5-154.4175.200000113.7L265 S494L265-G496 PolarHBondContact N-O 3.09Å; S494-G496 VanDerWaalsContact C-N 3.34Å; S494-G496 PolarHBondContact OG-N 3.45Å; S494-G496 VanDerWaalsContact OG-N 3.09Å; S494-G496 PolarHBondContact OG-O 3.04Å
497Y97.2Very high96.1Very high13 Ų1349.4 Ų49.45%0.05126%0.262CS..BIsolated β-bridgetrans-105.4140-177.6-56.5-68.4000111.8K262 G263 V264 E439 K499 D500 K503 T504 L507K262-Y497 HydrophobicContact CB-CD1 3.55Å; K262-Y497 HydrophobicContact CB-CE1 3.78Å; K262-Y497 HydrophobicContact CB-CG 4.1Å; K262-Y497 HydrophobicContact CD-CD1 4.29Å; K262-Y497 HydrophobicContact CD-CD2 4.35Å; K262-Y497 HydrophobicContact CD-CE1 4Å; K262-Y497 HydrophobicContact CD-CE2 4.08Å; K262-Y497 HydrophobicContact CD-CG 4.45Å; K262-Y497 HydrophobicContact CG-CD1 4.49Å; K262-Y497 VanDerWaalsContact NZ-CZ 3.29Å; K262-Y497 PolarHBondContact NZ-OH 2.76Å; G263-Y497 CarbonylContact O-C 3.58Å; G263-Y497 VanDerWaalsContact O-CA 3.26Å; G263-Y497 WeakPolarHBondContact O-CA 3.08Å; V264-Y497 HydrophobicContact CG2-CD1 3.94Å; V264-Y497 HydrophobicContact CG2-CE1 3.73Å; E439-Y497 HydrophobicContact CG-CE1 3.91Å; E439-Y497 WeakPolarHBondContact CG-OH 3.42Å; E439-Y497 PolarHBondContact OE1-OH 3.16Å; Y497-K499 PolarHBondContact O-N 2.96Å; Y497-D500 PolarHBondContact O-N 3.37Å; Y497-K503 HydrophobicContact CD2-CB 3.61Å; Y497-K503 HydrophobicContact CE2-CB 3.88Å; Y497-K503 VanDerWaalsContact CE2-O 3.31Å; Y497-K503 WeakPolarHBondContact CE2-O 3.33Å; Y497-T504 PolarHBondContact N-OG1 3.04Å; Y497-L507 HydrophobicContact CD2-CD2 4.47Å; Y497-L507 HydrophobicContact CE1-CD2 4.39Å; Y497-L507 HydrophobicContact CE2-CB 3.84Å; Y497-L507 HydrophobicContact CE2-CD2 3.76Å; Y497-L507 HydrophobicContact CE2-CG 4.3Å
498F97.3Very high96.1Very high14 Ų1451.1 Ų51.16%0.06127%0.271CS..THydrogen-bonded Turntrans-61124177.3-178.2-117.2000111E117 Q162 T163 I251 G263 L265 D500E117-F498 HydrophobicContact CG-CE2 3.74Å; E117-F498 HydrophobicContact CG-CZ 4.41Å; Q162-F498 HydrophobicContact CG-CD1 4.11Å; Q162-F498 HydrophobicContact CG-CE1 4.18Å; Q162-F498 PolarHBondContact NE2-O 3.14Å; Q162-F498 VanDerWaalsContact NE2-O 3.11Å; Q162-F498 WeakPolarHBondContact O-CE1 3.44Å; T163-F498 HydrophobicContact CG2-CE1 4.2Å; I251-F498 HydrophobicContact CD1-CB 4.49Å; I251-F498 HydrophobicContact CD1-CD1 4.12Å; I251-F498 HydrophobicContact CD1-CD2 3.82Å; I251-F498 HydrophobicContact CD1-CE1 4.27Å; I251-F498 HydrophobicContact CD1-CE2 4Å; I251-F498 HydrophobicContact CD1-CG 3.88Å; I251-F498 HydrophobicContact CD1-CZ 4.2Å; I251-F498 HydrophobicContact CG2-CB 3.93Å; I251-F498 HydrophobicContact CG2-CD1 4.47Å; I251-F498 HydrophobicContact CG2-CG 4.29Å; G263-F498 WeakPolarHBondContact O-CB 3.48Å; G263-F498 PolarHBondContact O-N 3.07Å; L265-F498 HydrophobicContact CD2-CB 3.69Å; L265-F498 HydrophobicContact CD2-CD2 3.89Å; L265-F498 HydrophobicContact CD2-CG 4.23Å; L265-F498 HydrophobicContact CG-CB 4.37Å; F498-D500 PolarHBondContact O-N 2.75Å; F498-D500 VanDerWaalsContact O-N 3.12Å
499K96.1Very high96Very high118 Ų11853 Ų5351%0.51328%0.281SS..THydrogen-bonded Turntrans50.532-179.1-64.1-178.6176.8174.10114Q162 E164 Y497Q162-K499 HydrophobicContact CG-CB 4.41Å; Q162-K499 HydrophobicContact CG-CD 4.32Å; Q162-K499 PolarHBondContact O-NZ 3.09Å; E164-K499 IonicContact OE1-NZ 2.92Å; E164-K499 PolarHBondContact OE1-NZ 2.62Å; Y497-K499 PolarHBondContact O-N 2.96Å
500D95.1Very high95.9Very high43 Ų4354.9 Ų54.923%0.2331%0.307CS..  trans-139.978.6178.2-169.8-15.1000111.7Y497 F498 V502 K503 T504Y497-D500 PolarHBondContact O-N 3.37Å; F498-D500 PolarHBondContact O-N 2.75Å; F498-D500 VanDerWaalsContact O-N 3.12Å; D500-V502 VanDerWaalsContact C-N 3.29Å; D500-V502 PolarHBondContact O-N 2.89Å; D500-V502 PolarHBondContact OD1-N 2.91Å; D500-K503 VanDerWaalsContact CG-CB 3.49Å; D500-K503 WeakPolarHBondContact OD1-CB 3.47Å; D500-K503 WeakPolarHBondContact OD1-CG 3.49Å; D500-K503 PolarHBondContact OD1-N 2.91Å; D500-K503 WeakPolarHBondContact OD2-CB 3.3Å; D500-K503 WeakPolarHBondContact OD2-CG 3.46Å; D500-T504 VanDerWaalsContact O-CB 3.32Å; D500-T504 WeakPolarHBondContact O-CB 3.38Å; D500-T504 PolarHBondContact O-N 2.96Å; D500-T504 PolarHBondContact O-OG1 2.88Å
501P96.4Very high95.8Very high104 Ų10458.8 Ų58.868%0.67532%0.323SS*.Hα-helixtrans-67.2-29.2-178.326.5-34.2000112.8T504 A505P501-T504 PolarHBondContact O-N 2.88Å; P501-A505 WeakPolarHBondContact O-CB 3.27Å; P501-A505 PolarHBondContact O-N 3.35Å
502V95.4Very high95.9Very high95 Ų9556 Ų5658%0.57632%0.316SS*.Hα-helixtrans-68.3-52.4-179.8177.80000110D500 T504 A505 E506D500-V502 VanDerWaalsContact C-N 3.29Å; D500-V502 PolarHBondContact O-N 2.89Å; D500-V502 PolarHBondContact OD1-N 2.91Å; V502-T504 PolarHBondContact O-N 2.83Å; V502-A505 PolarHBondContact O-N 3.04Å; V502-E506 WeakPolarHBondContact O-CG 2.96Å; V502-E506 PolarHBondContact O-N 3.15Å
503K92.7Very high96.1Very high78 Ų7856.3 Ų56.334%0.33932%0.317SS..Hα-helixtrans-68.5-25.7176.5-63.3-53.3-175.5-165.10112.8K262 Y497 D500 E506 L507K262-K503 HydrophobicContact CD-CB 4.39Å; K262-K503 HydrophobicContact CD-CG 4.4Å; Y497-K503 HydrophobicContact CD2-CB 3.61Å; Y497-K503 HydrophobicContact CE2-CB 3.88Å; Y497-K503 VanDerWaalsContact CE2-O 3.31Å; Y497-K503 WeakPolarHBondContact CE2-O 3.33Å; D500-K503 VanDerWaalsContact CG-CB 3.49Å; D500-K503 WeakPolarHBondContact OD1-CB 3.47Å; D500-K503 WeakPolarHBondContact OD1-CG 3.49Å; D500-K503 PolarHBondContact OD1-N 2.91Å; D500-K503 WeakPolarHBondContact OD2-CB 3.3Å; D500-K503 WeakPolarHBondContact OD2-CG 3.46Å; K503-E506 WeakPolarHBondContact CD-OE2 3.18Å; K503-E506 IonicContact NZ-OE1 2.84Å; K503-E506 PolarHBondContact NZ-OE1 2.96Å; K503-E506 IonicContact NZ-OE2 2.89Å; K503-E506 PolarHBondContact NZ-OE2 2.73Å; K503-E506 PolarHBondContact O-N 3.14Å; K503-L507 WeakPolarHBondContact O-CB 3.42Å; K503-L507 PolarHBondContact O-N 2.84Å
504T96.7Very high96.1Very high29 Ų2956.1 Ų56.118%0.17832%0.316CS..Hα-helixtrans-65.1-46.7172.8-63.60000111.3Y497 D500 P501 V502 E506 L507 I508Y497-T504 PolarHBondContact N-OG1 3.04Å; D500-T504 VanDerWaalsContact O-CB 3.32Å; D500-T504 WeakPolarHBondContact O-CB 3.38Å; D500-T504 PolarHBondContact O-N 2.96Å; D500-T504 PolarHBondContact O-OG1 2.88Å; P501-T504 PolarHBondContact O-N 2.88Å; V502-T504 PolarHBondContact O-N 2.83Å; T504-E506 VanDerWaalsContact C-N 3.31Å; T504-E506 PolarHBondContact O-N 2.72Å; T504-L507 PolarHBondContact O-N 3.02Å; T504-L507 VanDerWaalsContact O-N 3.11Å; T504-I508 PolarHBondContact O-N 3.05Å
505A96.4Very high96.1Very high73 Ų7358.5 Ų58.560%0.60333%0.326SS*.Hα-helixtrans-68.1-28.8176.300000113P501 V502 L507P501-A505 WeakPolarHBondContact O-CB 3.27Å; P501-A505 PolarHBondContact O-N 3.35Å; V502-A505 PolarHBondContact O-N 3.04Å; A505-L507 VanDerWaalsContact C-N 3.33Å
506E93.5Very high96Very high109 Ų10952.5 Ų52.551%0.50930%0.302SS..Hα-helixtrans-70.9-27.6170.4-71.3177-156.700112.9V502 K503 T504V502-E506 WeakPolarHBondContact O-CG 2.96Å; V502-E506 PolarHBondContact O-N 3.15Å; K503-E506 WeakPolarHBondContact CD-OE2 3.18Å; K503-E506 IonicContact NZ-OE1 2.84Å; K503-E506 PolarHBondContact NZ-OE1 2.96Å; K503-E506 IonicContact NZ-OE2 2.89Å; K503-E506 PolarHBondContact NZ-OE2 2.73Å; K503-E506 PolarHBondContact O-N 3.14Å; T504-E506 VanDerWaalsContact C-N 3.31Å; T504-E506 PolarHBondContact O-N 2.72Å
507L95.3Very high95.8Very high13 Ų1353.5 Ų53.57%0.06831%0.312CS..Hα-helixtrans-83.7-43.6-178.7175.669.6000112.2E439 Y497 K503 T504 A505 I514 H515E439-L507 HydrophobicContact CB-CD1 4.09Å; E439-L507 HydrophobicContact CB-CD2 3.96Å; E439-L507 HydrophobicContact CG-CD1 3.88Å; E439-L507 HydrophobicContact CG-CD2 3.72Å; E439-L507 HydrophobicContact CG-CG 4.46Å; Y497-L507 HydrophobicContact CD2-CD2 4.47Å; Y497-L507 HydrophobicContact CE1-CD2 4.39Å; Y497-L507 HydrophobicContact CE2-CB 3.84Å; Y497-L507 HydrophobicContact CE2-CD2 3.76Å; Y497-L507 HydrophobicContact CE2-CG 4.3Å; K503-L507 WeakPolarHBondContact O-CB 3.42Å; K503-L507 PolarHBondContact O-N 2.84Å; T504-L507 PolarHBondContact O-N 3.02Å; T504-L507 VanDerWaalsContact O-N 3.11Å; A505-L507 VanDerWaalsContact C-N 3.33Å; L507-I514 HydrophobicContact CD1-CG2 3.79Å; L507-I514 HydrophobicContact CG-CG2 4.33Å; L507-I514 WeakPolarHBondContact O-CA 3.28Å; L507-H515 PolarHBondContact O-N 2.81Å
508I97.7Very high95.5Very high35 Ų3553.2 Ų53.218%0.17931%0.311CS..BIsolated β-bridgetrans-116.5117.7-169.7-51.6177.1000109S494 T504 W513 I514S494-I508 WeakPolarHBondContact O-CD1 3.41Å; T504-I508 PolarHBondContact O-N 3.05Å; I508-W513 WeakPolarHBondContact CA-O 3.27Å; I508-I514 HydrophobicContact CG1-CG1 4.07Å
509D96.5Very high95.3Very high40 Ų4052.6 Ų52.621%0.21431%0.309CS..  trans-72173.1176.275.712.2000112.7K467 D511 G512 W513 H515K467-D509 IonicContact NZ-OD2 3.12Å; D509-D511 PolarHBondContact O-N 2.96Å; D509-D511 VanDerWaalsContact O-N 3.14Å; D509-D511 VanDerWaalsContact OD1-C 3.32Å; D509-D511 WeakPolarHBondContact OD1-CA 3.3Å; D509-D511 WeakPolarHBondContact OD1-CB 3.4Å; D509-D511 PolarHBondContact OD1-N 3.25Å; D509-G512 PolarHBondContact O-N 2.81Å; D509-G512 PolarHBondContact OD1-N 3.33Å; D509-W513 PolarHBondContact N-O 2.96Å; D509-W513 WeakPolarHBondContact OD1-CB 3.44Å; D509-W513 PolarHBondContact OD1-N 2.73Å; D509-W513 WeakPolarHBondContact OD2-CB 3.47Å; D509-H515 IonicContact OD2-NE2 2.77Å
510S95.6Very high95.3Very high123 Ų12347 Ų4786%0.8628%0.284SS*.THydrogen-bonded Turntrans-62.2-19.7179.555.70000114.3
511D95Very high95.3Very high102 Ų10246.7 Ų46.755%0.54528%0.282SS..THydrogen-bonded Turntrans-95.14.3179.3-69.7-27.3000112.3R489 D509R489-D511 WeakPolarHBondContact CD-O 3.42Å; R489-D511 PolarHBondContact NH1-O 2.7Å; R489-D511 VanDerWaalsContact NH1-O 3.15Å; D509-D511 PolarHBondContact O-N 2.96Å; D509-D511 VanDerWaalsContact O-N 3.14Å; D509-D511 VanDerWaalsContact OD1-C 3.32Å; D509-D511 WeakPolarHBondContact OD1-CA 3.3Å; D509-D511 WeakPolarHBondContact OD1-CB 3.4Å; D509-D511 PolarHBondContact OD1-N 3.25Å
512G95.8Very high95.4Very high33 Ų3344.3 Ų44.334%0.3426%0.259SS..SBendtrans81.618.6177.400000114.6R489 D509R489-G512 WeakPolarHBondContact CG-O 3.42Å; D509-G512 PolarHBondContact O-N 2.81Å; D509-G512 PolarHBondContact OD1-N 3.33Å
513W97.9Very high95.4Very high8 Ų841.5 Ų41.53%0.0324%0.242CC..  trans-87.3129176.5-63.488.3000111.7A42 E465 K467 C487 R489 I508 D509A42-W513 HydrophobicContact CB-CH2 3.96Å; A42-W513 HydrophobicContact CB-CZ2 4.34Å; E465-W513 HydrophobicContact CB-CH2 3.78Å; E465-W513 HydrophobicContact CB-CZ3 4.18Å; E465-W513 WeakPolarHBondContact O-CZ3 3.23Å; K467-W513 HydrophobicContact CB-CH2 4.14Å; K467-W513 HydrophobicContact CB-CZ3 4.22Å; K467-W513 HydrophobicContact CD-CD2 3.88Å; K467-W513 HydrophobicContact CD-CE3 4.14Å; K467-W513 HydrophobicContact CD-CG 4.45Å; K467-W513 HydrophobicContact CD-CH2 4.08Å; K467-W513 HydrophobicContact CD-CZ2 3.81Å; K467-W513 HydrophobicContact CD-CZ3 4.24Å; K467-W513 VanDerWaalsContact CE-CG 3.47Å; K467-W513 HydrophobicContact CG-CD2 4.16Å; K467-W513 HydrophobicContact CG-CE3 3.89Å; K467-W513 HydrophobicContact CG-CH2 3.96Å; K467-W513 HydrophobicContact CG-CZ2 4.21Å; K467-W513 HydrophobicContact CG-CZ3 3.78Å; C487-W513 HydrophobicContact CB-CB 4.12Å; C487-W513 HydrophobicContact CB-CD2 4.35Å; C487-W513 HydrophobicContact CB-CE3 3.86Å; C487-W513 HydrophobicContact CB-CG 4.48Å; R489-W513 HydrophobicContact CB-CD2 3.82Å; R489-W513 HydrophobicContact CB-CE3 3.61Å; R489-W513 HydrophobicContact CB-CG 4.43Å; R489-W513 HydrophobicContact CB-CH2 4.27Å; R489-W513 HydrophobicContact CB-CZ2 4.46Å; R489-W513 HydrophobicContact CB-CZ3 3.85Å; I508-W513 WeakPolarHBondContact CA-O 3.27Å; D509-W513 PolarHBondContact N-O 2.96Å; D509-W513 WeakPolarHBondContact OD1-CB 3.44Å; D509-W513 PolarHBondContact OD1-N 2.73Å; D509-W513 WeakPolarHBondContact OD2-CB 3.47Å
514I98.1Very high95.5Very high2 Ų247 Ų471%0.0127%0.269CS..EExtended strand (participates in β ladder)trans-76.3120.1166.6-70.3-179.5000109.3E439 C487 A488 C493 L507 I508 T516E439-I514 HydrophobicContact CB-CD1 4.44Å; E439-I514 HydrophobicContact CB-CG2 4.38Å; E439-I514 WeakPolarHBondContact O-CD1 3.07Å; C487-I514 CarbonylContact C-O 3.46Å; C487-I514 VanDerWaalsContact CA-O 3.22Å; C487-I514 WeakPolarHBondContact CA-O 3.48Å; A488-I514 PolarHBondContact N-O 2.97Å; A488-I514 PolarHBondContact O-N 3.12Å; C493-I514 HydrophobicContact CB-CD1 3.61Å; C493-I514 HydrophobicContact CB-CG1 4.48Å; L507-I514 HydrophobicContact CD1-CG2 3.79Å; L507-I514 HydrophobicContact CG-CG2 4.33Å; L507-I514 WeakPolarHBondContact O-CA 3.28Å; I508-I514 HydrophobicContact CG1-CG1 4.07Å; I514-T516 PolarHBondContact O-N 3.3Å
515H96.8Very high95.4Very high54 Ų5447.7 Ų47.725%0.2527%0.27CS..EExtended strand (participates in β ladder)trans-79.8109168.8-73.5-97.4000109.7E485 L507 D509 G517E485-H515 WeakPolarHBondContact OE1-CB 3.15Å; E485-H515 IonicContact OE1-ND1 3.96Å; E485-H515 IonicContact OE2-CE1 3.71Å; E485-H515 IonicContact OE2-CG 2.87Å; E485-H515 IonicContact OE2-ND1 3.43Å; E485-H515 PolarHBondContact OE2-ND1 3.5Å; L507-H515 PolarHBondContact O-N 2.81Å; D509-H515 IonicContact OD2-NE2 2.77Å; H515-G517 VanDerWaalsContact C-N 3.28Å; H515-G517 PolarHBondContact O-N 3.44Å
516T94.3Very high95.4Very high16 Ų1644.2 Ų44.210%0.09824%0.242CC..EExtended strand (participates in β ladder)trans-76.2-18.6-174.964.60000113.1Y435 I444 I486 I514 D518Y435-T516 WeakPolarHBondContact OH-CB 3.39Å; Y435-T516 PolarHBondContact OH-OG1 2.88Å; I444-T516 HydrophobicContact CD1-CG2 4.27Å; I486-T516 HydrophobicContact CG2-CG2 4.39Å; I486-T516 WeakPolarHBondContact O-CB 3.41Å; I486-T516 VanDerWaalsContact O-CG2 3.26Å; I486-T516 WeakPolarHBondContact O-CG2 3.34Å; I486-T516 PolarHBondContact O-N 3.25Å; I486-T516 PolarHBondContact O-OG1 3.48Å; I514-T516 PolarHBondContact O-N 3.3Å; T516-D518 PolarHBondContact O-N 2.9Å; T516-D518 PolarHBondContact OG1-N 3.33Å
517G91Very high95.6Very high21 Ų2139 Ų3922%0.21622%0.217CC..EExtended strand (participates in β ladder)trans69.611.8-171.300000114E485 H515 R533 V534E485-G517 VanDerWaalsContact OE1-CA 3.26Å; E485-G517 WeakPolarHBondContact OE1-CA 3.35Å; E485-G517 PolarHBondContact OE1-N 3.21Å; H515-G517 VanDerWaalsContact C-N 3.28Å; H515-G517 PolarHBondContact O-N 3.44Å; G517-R533 CarbonylContact O-C 3.58Å; G517-R533 WeakPolarHBondContact O-CA 3.3Å; G517-R533 WeakPolarHBondContact O-CD 3.41Å; G517-V534 PolarHBondContact O-N 3.43Å
518D92.1Very high95.7Very high8 Ų838.4 Ų38.44%0.04321%0.214CC..EExtended strand (participates in β ladder)trans-110.2142.2176.8-73-66.7000110.3Y435 E485 I486 T516 D532 R533Y435-D518 HydrophobicContact CE2-CB 4.44Å; Y435-D518 VanDerWaalsContact OH-CB 3.23Å; Y435-D518 WeakPolarHBondContact OH-CB 3.41Å; Y435-D518 PolarHBondContact OH-OD2 2.88Å; E485-D518 CarbonylContact C-O 3.6Å; E485-D518 WeakPolarHBondContact CA-O 3.24Å; I486-D518 HydrophobicContact CD1-CB 4.1Å; I486-D518 PolarHBondContact N-O 2.88Å; T516-D518 PolarHBondContact O-N 2.9Å; T516-D518 PolarHBondContact OG1-N 3.33Å; D518-D532 CarbonylContact C-O 3.59Å; D518-R533 VanDerWaalsContact CG-CZ 3.5Å; D518-R533 WeakPolarHBondContact OD1-CD 3.37Å; D518-R533 IonicContact OD1-CZ 2.68Å; D518-R533 VanDerWaalsContact OD1-CZ 3.24Å; D518-R533 IonicContact OD1-NE 3.95Å; D518-R533 PolarHBondContact OD1-NE 2.92Å; D518-R533 IonicContact OD1-NH2 2.78Å; D518-R533 PolarHBondContact OD1-NH2 2.73Å; D518-R533 IonicContact OD2-CZ 3.14Å; D518-R533 IonicContact OD2-NE 2.69Å; D518-R533 PolarHBondContact OD2-NE 3.38Å; D518-R533 IonicContact OD2-NH1 3.65Å; D518-R533 IonicContact OD2-NH2 3.42Å; D518-R533 PolarHBondContact OD2-NH2 3.24Å
519I92.8Very high95.5Very high0 Ų040.8 Ų40.80%022%0.223CC..EExtended strand (participates in β ladder)trans-92.5133.6174.6-59-56.7000109.8V471 L476 R483 G484 E485 V531 D532 V534 I537V471-I519 HydrophobicContact CG2-CD1 3.81Å; L476-I519 HydrophobicContact CD1-CD1 4.34Å; R483-I519 HydrophobicContact CB-CG2 4.16Å; R483-I519 HydrophobicContact CG-CG2 4.41Å; G484-I519 CarbonylContact O-C 3.6Å; G484-I519 VanDerWaalsContact O-CA 3.31Å; G484-I519 WeakPolarHBondContact O-CA 3.49Å; E485-I519 HydrophobicContact CB-CD1 4.2Å; I519-V531 HydrophobicContact CB-CB 4.15Å; I519-V531 HydrophobicContact CG2-CB 3.89Å; I519-V531 HydrophobicContact CG2-CG1 4.33Å; I519-V531 HydrophobicContact CG2-CG2 4.19Å; I519-V531 PolarHBondContact O-N 2.9Å; I519-D532 PolarHBondContact N-O 2.94Å; I519-V534 HydrophobicContact CD1-CG2 3.53Å; I519-V534 HydrophobicContact CG1-CG2 4.17Å; I519-I537 HydrophobicContact CB-CD1 4.15Å; I519-I537 HydrophobicContact CG1-CD1 3.5Å; I519-I537 VanDerWaalsContact CG1-CD1 3.5Å
520G95.6Very high95.2Very high0 Ų041.1 Ų41.10%022%0.224CC..EExtended strand (participates in β ladder)trans-126.8159.9177.200000113.1L468 R483 G484 K529L468-G520 WeakPolarHBondContact CD1-O 3.42Å; R483-G520 VanDerWaalsContact CA-O 3.24Å; R483-G520 WeakPolarHBondContact CA-O 3.42Å; R483-G520 WeakPolarHBondContact CB-O 3.03Å; G484-G520 PolarHBondContact N-O 2.93Å; G484-G520 PolarHBondContact O-N 3.31Å; G520-K529 VanDerWaalsContact CA-O 3.29Å; G520-K529 WeakPolarHBondContact CA-O 3.39Å
521E95.9Very high94.8Very high38 Ų3836.5 Ų36.518%0.17819%0.191CC..EExtended strand (participates in β ladder)trans-134.9145.2167.565.9-172.7-16900109.5G482 R483 K529 V531G482-E521 WeakPolarHBondContact O-CB 3.17Å; R483-E521 HydrophobicContact CB-CB 4.15Å; R483-E521 IonicContact CZ-OE2 3.89Å; R483-E521 IonicContact NE-OE2 3.52Å; R483-E521 IonicContact NH2-OE2 3.16Å; R483-E521 PolarHBondContact NH2-OE2 3.1Å; E521-K529 HydrophobicContact CG-CB 4.01Å; E521-K529 HydrophobicContact CG-CD 4.44Å; E521-K529 HydrophobicContact CG-CG 4.36Å; E521-K529 PolarHBondContact N-O 3.34Å; E521-K529 PolarHBondContact O-N 3.23Å; E521-K529 WeakPolarHBondContact OE1-CD 3.32Å; E521-K529 WeakPolarHBondContact OE1-CE 3.35Å; E521-K529 IonicContact OE1-NZ 3.67Å; E521-K529 PolarHBondContact OE1-NZ 2.83Å; E521-V531 HydrophobicContact CB-CG2 4.36Å; E521-V531 HydrophobicContact CG-CG2 4Å
522W97.2Very high94Very high54 Ų5431.7 Ų31.721%0.20517%0.165CC..EExtended strand (participates in β ladder)trans-87.5140.4177.6-66.5111.1000110.9R43 V460 L466 L468 L528R43-W522 HydrophobicContact CB-CH2 4.36Å; R43-W522 HydrophobicContact CB-CZ2 4.22Å; R43-W522 VanDerWaalsContact CD-CD2 3.49Å; R43-W522 HydrophobicContact CG-CZ2 4.06Å; V460-W522 HydrophobicContact CG2-CH2 3.73Å; V460-W522 HydrophobicContact CG2-CZ3 4.3Å; L466-W522 HydrophobicContact CB-CH2 4.11Å; L466-W522 HydrophobicContact CB-CZ2 4.07Å; L466-W522 HydrophobicContact CD1-CH2 4.2Å; L468-W522 VanDerWaalsContact CD1-CD1 3.5Å; L468-W522 HydrophobicContact CD1-CG 4.39Å; W522-L528 HydrophobicContact CD2-CD1 4.2Å; W522-L528 HydrophobicContact CE3-CB 4.16Å; W522-L528 HydrophobicContact CE3-CD1 4.11Å; W522-L528 HydrophobicContact CH2-CB 4.33Å; W522-L528 HydrophobicContact CH2-CD1 4.15Å; W522-L528 HydrophobicContact CZ2-CD1 4.23Å; W522-L528 HydrophobicContact CZ3-CB 3.77Å; W522-L528 HydrophobicContact CZ3-CD1 4.1Å; W522-L528 HydrophobicContact CZ3-CG 4.49Å
523T96.4Very high93.3Very high35 Ų3534.7 Ų34.722%0.21517%0.166CC..  trans-82.6166.8165800000111T456 E525 G526 S527T456-T523 HydrophobicContact CG2-CG2 3.75Å; T523-E525 WeakPolarHBondContact CB-OE2 3.49Å; T523-E525 PolarHBondContact O-N 3.45Å; T523-E525 PolarHBondContact OG1-N 2.96Å; T523-E525 PolarHBondContact OG1-OE2 2.93Å; T523-G526 PolarHBondContact O-N 2.88Å; T523-S527 PolarHBondContact N-O 3.4Å; T523-S527 WeakPolarHBondContact OG1-CB 3.19Å; T523-S527 PolarHBondContact OG1-N 3.46Å
524E94.8Very high92.4Very high193 Ų19335.6 Ų35.690%0.90217%0.173SC*.THydrogen-bonded Turntrans-57.4-32.8176.3-65.7179.6-179.500112.7G526E524-G526 PolarHBondContact O-N 3.17Å
525E95.3Very high91.4Very high45 Ų4542.8 Ų42.821%0.2120%0.204CC..THydrogen-bonded Turntrans-81.31.6177.7-52.296.415100113.4Q31 Q32 R453 T523Q31-E525 CarbonylContact C-O 3.55Å; Q31-E525 WeakPolarHBondContact CA-O 3.44Å; Q32-E525 PolarHBondContact N-O 3.36Å; R453-E525 WeakPolarHBondContact CD-OE1 3.48Å; R453-E525 IonicContact CZ-OE1 2.94Å; R453-E525 IonicContact NE-OE1 3.57Å; R453-E525 IonicContact NH1-OE1 2.74Å; R453-E525 PolarHBondContact NH1-OE1 3.21Å; T523-E525 WeakPolarHBondContact CB-OE2 3.49Å; T523-E525 PolarHBondContact O-N 3.45Å; T523-E525 PolarHBondContact OG1-N 2.96Å; T523-E525 PolarHBondContact OG1-OE2 2.93Å
526G96.4Very high90.2Very high0 Ų040.8 Ų40.80%020%0.196CC..SBendtrans7524-176.400000113.8S33 T523 E524S33-G526 WeakPolarHBondContact CB-O 3.17Å; S33-G526 WeakPolarHBondContact OG-CA 3.36Å; S33-G526 PolarHBondContact OG-O 3.13Å; T523-G526 PolarHBondContact O-N 2.88Å; E524-G526 PolarHBondContact O-N 3.17Å
527S96.8Very high89.3Confident0 Ų040.8 Ų40.80%020%0.195CC..  trans-83.6147.5168.3-149.20000109.4Q32 T456 G458 T523Q32-S527 PolarHBondContact OE1-OG 2.98Å; T456-S527 WeakPolarHBondContact CB-OG 3.48Å; T456-S527 PolarHBondContact OG1-OG 3.18Å; G458-S527 VanDerWaalsContact C-OG 3.3Å; G458-S527 WeakPolarHBondContact CA-OG 3.36Å; G458-S527 PolarHBondContact N-OG 3.34Å; G458-S527 CarbonylContact O-C 3.55Å; G458-S527 WeakPolarHBondContact O-CA 3.3Å; G458-S527 PolarHBondContact O-OG 2.86Å; T523-S527 PolarHBondContact N-O 3.4Å; T523-S527 WeakPolarHBondContact OG1-CB 3.19Å; T523-S527 PolarHBondContact OG1-N 3.46Å
528L97.4Very high88.6Confident0 Ų040.6 Ų40.60%019%0.188CC..EExtended strand (participates in β ladder)trans-92138.6176.4-172.867.9000110Y435 T445 T456 V457 G458 L466 L468 I486 W522 I530Y435-L528 HydrophobicContact CD1-CD2 4.19Å; Y435-L528 HydrophobicContact CE1-CD2 4.47Å; T445-L528 HydrophobicContact CG2-CB 4.12Å; T445-L528 HydrophobicContact CG2-CD2 3.73Å; T456-L528 CarbonylContact C-O 3.53Å; T456-L528 WeakPolarHBondContact CA-O 3.4Å; T456-L528 WeakPolarHBondContact CB-O 3.48Å; V457-L528 HydrophobicContact CG2-CB 3.97Å; V457-L528 HydrophobicContact CG2-CD2 4.22Å; V457-L528 HydrophobicContact CG2-CG 4.2Å; V457-L528 VanDerWaalsContact CG2-O 3.27Å; V457-L528 WeakPolarHBondContact CG2-O 3.25Å; V457-L528 PolarHBondContact N-O 2.98Å; G458-L528 PolarHBondContact O-N 2.84Å; L466-L528 HydrophobicContact CD1-CD2 4.31Å; L468-L528 HydrophobicContact CD2-CD1 4.37Å; I486-L528 HydrophobicContact CD1-CD2 3.85Å; I486-L528 HydrophobicContact CG1-CD1 4.41Å; I486-L528 HydrophobicContact CG1-CD2 4.2Å; I486-L528 HydrophobicContact CG2-CD2 4.32Å; W522-L528 HydrophobicContact CD2-CD1 4.2Å; W522-L528 HydrophobicContact CE3-CB 4.16Å; W522-L528 HydrophobicContact CE3-CD1 4.11Å; W522-L528 HydrophobicContact CH2-CB 4.33Å; W522-L528 HydrophobicContact CH2-CD1 4.15Å; W522-L528 HydrophobicContact CZ2-CD1 4.23Å; W522-L528 HydrophobicContact CZ3-CB 3.77Å; W522-L528 HydrophobicContact CZ3-CD1 4.1Å; W522-L528 HydrophobicContact CZ3-CG 4.49Å; L528-I530 HydrophobicContact CD2-CD1 4Å; L528-I530 HydrophobicContact CG-CD1 4.33Å
529K93.9Very high87.5Confident85 Ų8543.4 Ų43.437%0.3720%0.2SC..EExtended strand (participates in β ladder)trans-116.9129.4167.6174.4170.3163.5-1380109.4G455 G520 E521G455-K529 WeakPolarHBondContact O-CG 3.43Å; G520-K529 VanDerWaalsContact CA-O 3.29Å; G520-K529 WeakPolarHBondContact CA-O 3.39Å; E521-K529 HydrophobicContact CG-CB 4.01Å; E521-K529 HydrophobicContact CG-CD 4.44Å; E521-K529 HydrophobicContact CG-CG 4.36Å; E521-K529 PolarHBondContact N-O 3.34Å; E521-K529 PolarHBondContact O-N 3.23Å; E521-K529 WeakPolarHBondContact OE1-CD 3.32Å; E521-K529 WeakPolarHBondContact OE1-CE 3.35Å; E521-K529 IonicContact OE1-NZ 3.67Å; E521-K529 PolarHBondContact OE1-NZ 2.83Å
530I90.4Very high86.5Confident47 Ų4743.6 Ų43.624%0.24120%0.201CC..EExtended strand (participates in β ladder)trans-79.6131.1174.7-51.3-54.8000108.7Y435 V457 I486 L528Y435-I530 HydrophobicContact CD1-CD1 3.8Å; Y435-I530 HydrophobicContact CD2-CD1 3.74Å; Y435-I530 HydrophobicContact CD2-CG1 4.01Å; Y435-I530 HydrophobicContact CE1-CD1 3.94Å; Y435-I530 HydrophobicContact CE2-CD1 3.91Å; Y435-I530 HydrophobicContact CE2-CG1 4.43Å; Y435-I530 HydrophobicContact CG-CD1 3.7Å; Y435-I530 HydrophobicContact CG-CG1 4.2Å; V457-I530 HydrophobicContact CG1-CG1 4.02Å; V457-I530 HydrophobicContact CG2-CD1 3.88Å; V457-I530 HydrophobicContact CG2-CG1 3.85Å; I486-I530 HydrophobicContact CD1-CD1 3.51Å; L528-I530 HydrophobicContact CD2-CD1 4Å; L528-I530 HydrophobicContact CG-CD1 4.33Å
531V86.4Confident85.4Confident25 Ų2546.5 Ų46.515%0.15223%0.225CC..EExtended strand (participates in β ladder)trans-98-59.1-178.4-1800000110.5I519 E521 A547I519-V531 HydrophobicContact CB-CB 4.15Å; I519-V531 HydrophobicContact CG2-CB 3.89Å; I519-V531 HydrophobicContact CG2-CG1 4.33Å; I519-V531 HydrophobicContact CG2-CG2 4.19Å; I519-V531 PolarHBondContact O-N 2.9Å; E521-V531 HydrophobicContact CB-CG2 4.36Å; E521-V531 HydrophobicContact CG-CG2 4Å; V531-A547 HydrophobicContact CG1-CB 4.42Å
532D79.7Confident84Confident2 Ų248.8 Ų48.81%0.01124%0.236CC..EExtended strand (participates in β ladder)trans-172.3-167.4177.3-147.6-61.1000109.5D518 I519 S536 I537 A547 P548 E549D518-D532 CarbonylContact C-O 3.59Å; I519-D532 PolarHBondContact N-O 2.94Å; D532-S536 VanDerWaalsContact OD1-CB 3.29Å; D532-S536 WeakPolarHBondContact OD1-CB 3.36Å; D532-I537 HydrophobicContact CB-CD1 3.97Å; D532-I537 HydrophobicContact CB-CG1 3.7Å; D532-A547 HydrophobicContact CB-CB 3.67Å; D532-A547 WeakPolarHBondContact OD2-CA 3.48Å; D532-A547 WeakPolarHBondContact OD2-CB 3.08Å; D532-P548 VanDerWaalsContact OD2-CD 3.26Å; D532-P548 WeakPolarHBondContact OD2-CD 3.3Å; D532-E549 PolarHBondContact OD2-N 2.98Å
533R80Confident82.2Confident95 Ų9547.6 Ų47.636%0.35824%0.24SC..EExtended strand (participates in β ladder)trans-94.3141.3171.8-71.7-89171.2173.3-16.2111.7G517 D518 K535 S536 I537G517-R533 CarbonylContact O-C 3.58Å; G517-R533 WeakPolarHBondContact O-CA 3.3Å; G517-R533 WeakPolarHBondContact O-CD 3.41Å; D518-R533 VanDerWaalsContact CG-CZ 3.5Å; D518-R533 WeakPolarHBondContact OD1-CD 3.37Å; D518-R533 IonicContact OD1-CZ 2.68Å; D518-R533 VanDerWaalsContact OD1-CZ 3.24Å; D518-R533 IonicContact OD1-NE 3.95Å; D518-R533 PolarHBondContact OD1-NE 2.92Å; D518-R533 IonicContact OD1-NH2 2.78Å; D518-R533 PolarHBondContact OD1-NH2 2.73Å; D518-R533 IonicContact OD2-CZ 3.14Å; D518-R533 IonicContact OD2-NE 2.69Å; D518-R533 PolarHBondContact OD2-NE 3.38Å; D518-R533 IonicContact OD2-NH1 3.65Å; D518-R533 IonicContact OD2-NH2 3.42Å; D518-R533 PolarHBondContact OD2-NH2 3.24Å; R533-K535 VanDerWaalsContact C-N 3.28Å; R533-K535 PolarHBondContact O-N 3.13Å; R533-S536 WeakPolarHBondContact CB-OG 3.34Å; R533-S536 PolarHBondContact O-N 3.47Å; R533-I537 WeakPolarHBondContact O-CG1 3.32Å; R533-I537 PolarHBondContact O-N 3.35Å
534V80.1Confident81Confident28 Ų2849.7 Ų49.717%0.1725%0.248CC..THydrogen-bonded Turntrans-50.3-47.6174.7172.40000111.5V471 L474 E485 G517 I519 S536V471-V534 HydrophobicContact CG1-CG1 3.87Å; V471-V534 HydrophobicContact CG2-CG2 4.5Å; L474-V534 HydrophobicContact CD1-CG1 4.35Å; E485-V534 HydrophobicContact CB-CG2 4.07Å; E485-V534 HydrophobicContact CG-CG2 4.16Å; G517-V534 PolarHBondContact O-N 3.43Å; I519-V534 HydrophobicContact CD1-CG2 3.53Å; I519-V534 HydrophobicContact CG1-CG2 4.17Å; V534-S536 VanDerWaalsContact C-N 3.3Å; V534-S536 PolarHBondContact O-N 2.99Å
535K75.9Confident79.9Confident152 Ų15242.4 Ų42.466%0.66121%0.212SC*.THydrogen-bonded Turntrans-78.4-9.9-177.9-64.7-175178.6179.80114.5R533R533-K535 VanDerWaalsContact C-N 3.28Å; R533-K535 PolarHBondContact O-N 3.13Å
536S72.5Confident79.1Confident13 Ų1340.2 Ų40.29%0.09120%0.202CC..THydrogen-bonded Turntrans-97.2-32.5179.9-61.80000112D532 R533 V534 F538 P548 R661D532-S536 VanDerWaalsContact OD1-CB 3.29Å; D532-S536 WeakPolarHBondContact OD1-CB 3.36Å; R533-S536 WeakPolarHBondContact CB-OG 3.34Å; R533-S536 PolarHBondContact O-N 3.47Å; V534-S536 VanDerWaalsContact C-N 3.3Å; V534-S536 PolarHBondContact O-N 2.99Å; S536-F538 PolarHBondContact O-N 3.36Å; S536-P548 WeakPolarHBondContact O-CD 3.28Å; S536-P548 VanDerWaalsContact O-CG 3.32Å; S536-P548 WeakPolarHBondContact O-CG 3.25Å; S536-R661 WeakPolarHBondContact OG-CD 3.42Å; S536-R661 PolarHBondContact OG-NE 2.8Å
537I74.3Confident78.4Confident16 Ų1640.7 Ų40.78%0.08221%0.206CC..  trans-62.3137.2178.1-67.7173.2000109.8L474 I519 D532 R533 Y545 I546L474-I537 HydrophobicContact CD1-CB 3.97Å; L474-I537 HydrophobicContact CD1-CD1 4.39Å; L474-I537 HydrophobicContact CD1-CG2 4.03Å; L474-I537 HydrophobicContact CD2-CG2 4.27Å; I519-I537 HydrophobicContact CB-CD1 4.15Å; I519-I537 HydrophobicContact CG1-CD1 3.5Å; I519-I537 VanDerWaalsContact CG1-CD1 3.5Å; D532-I537 HydrophobicContact CB-CD1 3.97Å; D532-I537 HydrophobicContact CB-CG1 3.7Å; R533-I537 WeakPolarHBondContact O-CG1 3.32Å; R533-I537 PolarHBondContact O-N 3.35Å; I537-Y545 HydrophobicContact CG2-CD1 3.94Å; I537-Y545 HydrophobicContact CG2-CG 4.4Å; I537-I546 WeakPolarHBondContact CA-O 3.31Å
538F76.3Confident78Confident16 Ų1640.7 Ų40.77%0.0721%0.206CC..EExtended strand (participates in β ladder)trans-128.7148.7169.752.9-100000110.1S536 L540 I546 P548 I566 G568 P575S536-F538 PolarHBondContact O-N 3.36Å; F538-L540 HydrophobicContact CD2-CD2 4.08Å; F538-L540 HydrophobicContact CE2-CD2 3.91Å; F538-L540 HydrophobicContact CE2-CG 4.48Å; F538-I546 HydrophobicContact CD2-CB 3.68Å; F538-I546 HydrophobicContact CD2-CG1 4.09Å; F538-I546 HydrophobicContact CD2-CG2 4.25Å; F538-I546 HydrophobicContact CE1-CB 4.34Å; F538-I546 HydrophobicContact CE1-CG2 3.89Å; F538-I546 HydrophobicContact CE2-CB 3.26Å; F538-I546 HydrophobicContact CE2-CG1 3.53Å; F538-I546 HydrophobicContact CE2-CG2 3.44Å; F538-I546 VanDerWaalsContact CE2-CG2 3.44Å; F538-I546 HydrophobicContact CG-CB 4.39Å; F538-I546 HydrophobicContact CZ-CB 3.65Å; F538-I546 HydrophobicContact CZ-CG1 4.24Å; F538-I546 HydrophobicContact CZ-CG2 3.24Å; F538-I546 PolarHBondContact N-O 2.79Å; F538-I546 PolarHBondContact O-N 3.04Å; F538-P548 HydrophobicContact CE1-CB 3.97Å; F538-P548 HydrophobicContact CE1-CG 4.13Å; F538-I566 HydrophobicContact CZ-CG2 4.22Å; F538-G568 VanDerWaalsContact CD2-CA 3.5Å; F538-G568 VanDerWaalsContact CZ-CA 3.48Å; F538-P575 HydrophobicContact CE2-CB 4.25Å; F538-P575 HydrophobicContact CZ-CB 4.04Å
539K69.3Low77.4Confident68 Ų6843.7 Ų43.730%0.29622%0.22SC..EExtended strand (participates in β ladder)trans-89.7139.1172.8-163.2173.6-172.6160.20108.5D475 G543 Y545 S570D475-K539 IonicContact OD2-NZ 2.67Å; D475-K539 PolarHBondContact OD2-NZ 2.84Å; K539-G543 VanDerWaalsContact CE-CA 3.45Å; K539-G543 WeakPolarHBondContact CE-O 3.45Å; K539-Y545 HydrophobicContact CB-CD1 3.97Å; K539-Y545 HydrophobicContact CB-CE1 3.72Å; K539-Y545 HydrophobicContact CD-CE1 3.68Å; K539-Y545 WeakPolarHBondContact CD-OH 3.33Å; K539-Y545 VanDerWaalsContact CE-OH 3.26Å; K539-Y545 WeakPolarHBondContact CE-OH 3.48Å; K539-Y545 HydrophobicContact CG-CD1 4.12Å; K539-Y545 HydrophobicContact CG-CE1 3.65Å; K539-Y545 PolarHBondContact NZ-OH 3.34Å; K539-S570 WeakPolarHBondContact O-CA 3.38Å
540L72.9Confident76.8Confident3 Ų344.3 Ų44.32%0.01622%0.223CC..  trans-92166.3169.6-64176.3000110.4F538 Q542 G543 E544 I546 K572 F633F538-L540 HydrophobicContact CD2-CD2 4.08Å; F538-L540 HydrophobicContact CE2-CD2 3.91Å; F538-L540 HydrophobicContact CE2-CG 4.48Å; L540-Q542 PolarHBondContact O-N 2.93Å; L540-Q542 VanDerWaalsContact O-N 3.11Å; L540-G543 WeakPolarHBondContact O-CA 3.27Å; L540-G543 PolarHBondContact O-N 3.03Å; L540-E544 PolarHBondContact N-O 2.93Å; L540-I546 HydrophobicContact CD1-CD1 3.91Å; L540-I546 HydrophobicContact CD1-CG1 3.58Å; L540-I546 HydrophobicContact CD2-CG1 4.4Å; L540-I546 HydrophobicContact CG-CG1 3.8Å; L540-K572 CarbonylContact C-O 3.53Å; L540-K572 WeakPolarHBondContact CA-O 3.42Å; L540-K572 WeakPolarHBondContact CB-O 3.39Å; L540-K572 WeakPolarHBondContact CD2-O 3.2Å; L540-F633 HydrophobicContact CD1-CB 4.2Å; L540-F633 HydrophobicContact CD1-CD2 4.5Å
541A72.3Confident76.6Confident61 Ų6142 Ų4250%0.50421%0.211SC..THydrogen-bonded Turntrans-56.7-30-176.100000114.4G543 S570 K572A541-G543 PolarHBondContact O-N 3.42Å; A541-S570 VanDerWaalsContact CA-O 3.23Å; A541-S570 WeakPolarHBondContact CA-O 3.4Å; A541-S570 PolarHBondContact N-O 2.8Å; A541-K572 PolarHBondContact N-O 2.94Å
542Q65.9Low76.9Confident86 Ų8641.9 Ų41.940%0.40221%0.209SC..THydrogen-bonded Turntrans-79.52.2175.568-87.723.400114.2L540 E544 N573 F633L540-Q542 PolarHBondContact O-N 2.93Å; L540-Q542 VanDerWaalsContact O-N 3.11Å; Q542-E544 VanDerWaalsContact C-N 3.33Å; Q542-E544 HydrophobicContact CG-CB 4.01Å; Q542-E544 HydrophobicContact CG-CG 3.73Å; Q542-E544 PolarHBondContact O-N 3.37Å; Q542-N573 PolarHBondContact NE2-O 3.11Å; Q542-N573 PolarHBondContact OE1-O 3.19Å; Q542-F633 VanDerWaalsContact NE2-CB 3.31Å
543G58.8Low77.1Confident29 Ų2944.8 Ų44.830%0.29922%0.223SC..SBendtrans86.3-5.1179.700000115.6K539 L540 A541K539-G543 VanDerWaalsContact CE-CA 3.45Å; K539-G543 WeakPolarHBondContact CE-O 3.45Å; L540-G543 WeakPolarHBondContact O-CA 3.27Å; L540-G543 PolarHBondContact O-N 3.03Å; A541-G543 PolarHBondContact O-N 3.42Å
544E72.5Confident77.3Confident79 Ų7941.2 Ų41.237%0.36921%0.212SC..  trans-69.9136.4175.8-69.1-71.6168.900111.3L540 Q542 F633L540-E544 PolarHBondContact N-O 2.93Å; Q542-E544 VanDerWaalsContact C-N 3.33Å; Q542-E544 HydrophobicContact CG-CB 4.01Å; Q542-E544 HydrophobicContact CG-CG 3.73Å; Q542-E544 PolarHBondContact O-N 3.37Å; E544-F633 HydrophobicContact CB-CD1 4.49Å; E544-F633 HydrophobicContact CB-CD2 3.84Å; E544-F633 HydrophobicContact CB-CE1 4.4Å; E544-F633 HydrophobicContact CB-CE2 3.8Å; E544-F633 HydrophobicContact CB-CG 4.2Å; E544-F633 HydrophobicContact CB-CZ 4.07Å; E544-F633 HydrophobicContact CG-CD1 3.96Å; E544-F633 HydrophobicContact CG-CD2 4.21Å; E544-F633 HydrophobicContact CG-CE1 3.79Å; E544-F633 HydrophobicContact CG-CE2 4.1Å; E544-F633 HydrophobicContact CG-CG 4.15Å; E544-F633 HydrophobicContact CG-CZ 3.86Å; E544-F633 WeakPolarHBondContact OE2-CZ 3.35Å
545Y71.8Confident77.9Confident40 Ų4039.9 Ų39.916%0.15720%0.204CC..EExtended strand (participates in β ladder)trans-90.7135175.1-63.6-77.5000111.3L474 D475 L476 I537 K539L474-Y545 HydrophobicContact CB-CE1 4.34Å; L474-Y545 WeakPolarHBondContact O-CE1 3.34Å; L474-Y545 PolarHBondContact O-OH 2.74Å; D475-Y545 WeakPolarHBondContact CB-OH 3.14Å; D475-Y545 PolarHBondContact O-OH 3.5Å; L476-Y545 HydrophobicContact CD2-CD2 3.72Å; L476-Y545 HydrophobicContact CD2-CE2 3.72Å; L476-Y545 HydrophobicContact CD2-CG 4.2Å; L476-Y545 HydrophobicContact CG-CE2 4.39Å; I537-Y545 HydrophobicContact CG2-CD1 3.94Å; I537-Y545 HydrophobicContact CG2-CG 4.4Å; K539-Y545 HydrophobicContact CB-CD1 3.97Å; K539-Y545 HydrophobicContact CB-CE1 3.72Å; K539-Y545 HydrophobicContact CD-CE1 3.68Å; K539-Y545 WeakPolarHBondContact CD-OH 3.33Å; K539-Y545 VanDerWaalsContact CE-OH 3.26Å; K539-Y545 WeakPolarHBondContact CE-OH 3.48Å; K539-Y545 HydrophobicContact CG-CD1 4.12Å; K539-Y545 HydrophobicContact CG-CE1 3.65Å; K539-Y545 PolarHBondContact NZ-OH 3.34Å
546I77.7Confident78.5Confident0 Ų037.3 Ų37.30%019%0.194CC..EExtended strand (participates in β ladder)trans-106.7124.7174.2-64.8-61.9000109.6I537 F538 L540 P548 I551 F633 E634I537-I546 WeakPolarHBondContact CA-O 3.31Å; F538-I546 HydrophobicContact CD2-CB 3.68Å; F538-I546 HydrophobicContact CD2-CG1 4.09Å; F538-I546 HydrophobicContact CD2-CG2 4.25Å; F538-I546 HydrophobicContact CE1-CB 4.34Å; F538-I546 HydrophobicContact CE1-CG2 3.89Å; F538-I546 HydrophobicContact CE2-CB 3.26Å; F538-I546 HydrophobicContact CE2-CG1 3.53Å; F538-I546 HydrophobicContact CE2-CG2 3.44Å; F538-I546 VanDerWaalsContact CE2-CG2 3.44Å; F538-I546 HydrophobicContact CG-CB 4.39Å; F538-I546 HydrophobicContact CZ-CB 3.65Å; F538-I546 HydrophobicContact CZ-CG1 4.24Å; F538-I546 HydrophobicContact CZ-CG2 3.24Å; F538-I546 PolarHBondContact N-O 2.79Å; F538-I546 PolarHBondContact O-N 3.04Å; L540-I546 HydrophobicContact CD1-CD1 3.91Å; L540-I546 HydrophobicContact CD1-CG1 3.58Å; L540-I546 HydrophobicContact CD2-CG1 4.4Å; L540-I546 HydrophobicContact CG-CG1 3.8Å; I546-P548 WeakPolarHBondContact O-CD 3.4Å; I546-I551 HydrophobicContact CD1-CD1 4.03Å; I546-I551 HydrophobicContact CG2-CD1 3.39Å; I546-F633 HydrophobicContact CD1-CD2 3.62Å; I546-F633 HydrophobicContact CD1-CE2 4.01Å; I546-E634 HydrophobicContact CD1-CB 4.37Å; I546-E634 HydrophobicContact CD1-CG 3.9Å
547A81.5Confident79.2Confident10 Ų1039.6 Ų39.68%0.08320%0.201CC..  trans-90.694.3163.700000108.3V531 D532 E549 K550 I551V531-A547 HydrophobicContact CG1-CB 4.42Å; D532-A547 HydrophobicContact CB-CB 3.67Å; D532-A547 WeakPolarHBondContact OD2-CA 3.48Å; D532-A547 WeakPolarHBondContact OD2-CB 3.08Å; A547-E549 VanDerWaalsContact C-N 3.29Å; A547-E549 PolarHBondContact O-N 2.9Å; A547-K550 HydrophobicContact CB-CB 4.02Å; A547-K550 WeakPolarHBondContact O-CB 3.5Å; A547-K550 PolarHBondContact O-N 2.85Å; A547-I551 WeakPolarHBondContact O-CG1 3.45Å; A547-I551 PolarHBondContact O-N 2.86Å
548P88.2Confident79.9Confident0 Ų039.1 Ų39.10%020%0.199CC..Hα-helixtrans-63.5-32.4-174.227-36.3000113D532 S536 F538 I546 K550 I551 E552 I566 R661D532-P548 VanDerWaalsContact OD2-CD 3.26Å; D532-P548 WeakPolarHBondContact OD2-CD 3.3Å; S536-P548 WeakPolarHBondContact O-CD 3.28Å; S536-P548 VanDerWaalsContact O-CG 3.32Å; S536-P548 WeakPolarHBondContact O-CG 3.25Å; F538-P548 HydrophobicContact CE1-CB 3.97Å; F538-P548 HydrophobicContact CE1-CG 4.13Å; I546-P548 WeakPolarHBondContact O-CD 3.4Å; P548-K550 VanDerWaalsContact C-N 3.34Å; P548-K550 PolarHBondContact O-N 3.12Å; P548-I551 PolarHBondContact O-N 2.89Å; P548-I551 VanDerWaalsContact O-N 3.14Å; P548-E552 WeakPolarHBondContact O-CB 3.5Å; P548-E552 VanDerWaalsContact O-CG 3.25Å; P548-E552 WeakPolarHBondContact O-CG 3.31Å; P548-E552 PolarHBondContact O-N 3.27Å; P548-I566 HydrophobicContact CB-CB 4.13Å; P548-I566 HydrophobicContact CB-CG2 4.19Å; P548-R661 VanDerWaalsContact CG-CZ 3.5Å
549E84.3Confident80.6Confident63 Ų6346.5 Ų46.529%0.29423%0.227SC..Hα-helixtrans-65.1-40.4-179.6-69.1-174.6-171.300111.2D532 A547 I551 E552 M553D532-E549 PolarHBondContact OD2-N 2.98Å; A547-E549 VanDerWaalsContact C-N 3.29Å; A547-E549 PolarHBondContact O-N 2.9Å; E549-I551 VanDerWaalsContact C-N 3.26Å; E549-I551 PolarHBondContact O-N 2.91Å; E549-E552 PolarHBondContact O-N 3.48Å; E549-M553 WeakPolarHBondContact O-CB 3.39Å; E549-M553 VanDerWaalsContact O-CG 3.27Å; E549-M553 WeakPolarHBondContact O-CG 3.24Å; E549-M553 PolarHBondContact O-N 2.87Å
550K81.5Confident81.7Confident97 Ų9743.6 Ų43.642%0.42221%0.214SC..Hα-helixtrans-56-44.5173.3176.2-163.9168.5-163.90111.1A547 P548 V554 E634A547-K550 HydrophobicContact CB-CB 4.02Å; A547-K550 WeakPolarHBondContact O-CB 3.5Å; A547-K550 PolarHBondContact O-N 2.85Å; P548-K550 VanDerWaalsContact C-N 3.34Å; P548-K550 PolarHBondContact O-N 3.12Å; K550-V554 PolarHBondContact O-N 3.32Å; K550-E634 IonicContact NZ-OE1 3.62Å; K550-E634 PolarHBondContact NZ-OE1 2.81Å; K550-E634 IonicContact NZ-OE2 3.14Å
551I87.5Confident82.7Confident0 Ų044 Ų440%022%0.216CC..Hα-helixtrans-74.6-42.1-175.4-60.3173.1000110.4I546 A547 P548 E549 M553 V554 Y555 I566 L630 E634I546-I551 HydrophobicContact CD1-CD1 4.03Å; I546-I551 HydrophobicContact CG2-CD1 3.39Å; A547-I551 WeakPolarHBondContact O-CG1 3.45Å; A547-I551 PolarHBondContact O-N 2.86Å; P548-I551 PolarHBondContact O-N 2.89Å; P548-I551 VanDerWaalsContact O-N 3.14Å; E549-I551 VanDerWaalsContact C-N 3.26Å; E549-I551 PolarHBondContact O-N 2.91Å; I551-M553 VanDerWaalsContact C-N 3.33Å; I551-M553 PolarHBondContact O-N 2.97Å; I551-V554 WeakPolarHBondContact O-CA 3.31Å; I551-V554 WeakPolarHBondContact O-CB 3.37Å; I551-V554 PolarHBondContact O-N 2.83Å; I551-Y555 HydrophobicContact CG2-CD2 3.65Å; I551-Y555 HydrophobicContact CG2-CE2 3.33Å; I551-Y555 VanDerWaalsContact O-CD2 3.31Å; I551-Y555 WeakPolarHBondContact O-CD2 3.25Å; I551-Y555 PolarHBondContact O-N 3.41Å; I551-I566 HydrophobicContact CB-CD1 3.69Å; I551-I566 HydrophobicContact CG2-CD1 3.27Å; I551-L630 HydrophobicContact CG1-CD2 4.43Å; I551-L630 HydrophobicContact CG2-CD1 3.85Å; I551-E634 HydrophobicContact CD1-CB 3.78Å; I551-E634 HydrophobicContact CD1-CG 4.15Å; I551-E634 HydrophobicContact CG1-CB 4.22Å; I551-E634 WeakPolarHBondContact CG2-O 3.38Å
552E91.5Very high83.7Confident21 Ų2144 Ų4410%0.09821%0.213CC..Hα-helixtrans-58-45.3173.7-72.4167.1-172.400111.1P548 E549 V554 Y555 Q556 I564 I566 R661P548-E552 WeakPolarHBondContact O-CB 3.5Å; P548-E552 VanDerWaalsContact O-CG 3.25Å; P548-E552 WeakPolarHBondContact O-CG 3.31Å; P548-E552 PolarHBondContact O-N 3.27Å; E549-E552 PolarHBondContact O-N 3.48Å; E552-V554 PolarHBondContact O-N 3.37Å; E552-Y555 PolarHBondContact O-N 3.47Å; E552-Y555 VanDerWaalsContact O-N 3.08Å; E552-Q556 VanDerWaalsContact O-CG 3.31Å; E552-Q556 WeakPolarHBondContact O-CG 3.37Å; E552-Q556 PolarHBondContact O-N 2.86Å; E552-I564 HydrophobicContact CB-CG2 3.98Å; E552-I564 HydrophobicContact CG-CG2 3.99Å; E552-I566 HydrophobicContact CB-CD1 4.38Å; E552-I566 HydrophobicContact CG-CB 3.99Å; E552-I566 HydrophobicContact CG-CD1 3.54Å; E552-I566 HydrophobicContact CG-CG1 3.55Å; E552-I566 PolarHBondContact OE1-N 3.36Å; E552-R661 IonicContact OE1-CZ 3.72Å; E552-R661 VanDerWaalsContact OE1-CZ 3.27Å; E552-R661 IonicContact OE1-NH1 3.87Å; E552-R661 PolarHBondContact OE1-NH1 3.38Å; E552-R661 IonicContact OE1-NH2 3.87Å; E552-R661 PolarHBondContact OE1-NH2 2.91Å; E552-R661 IonicContact OE2-CZ 3.77Å; E552-R661 IonicContact OE2-NH1 3.01Å; E552-R661 IonicContact OE2-NH2 2.79Å; E552-R661 PolarHBondContact OE2-NH2 3.23Å
553M84.8Confident85.1Confident63 Ų6341.9 Ų41.931%0.3120%0.203SC..Hα-helixtrans-59.3-31.6174.4-75.4-178.171.800113.1P415 E549 I551 Y557P415-M553 HydrophobicContact CB-CE 4.09Å; P415-M553 HydrophobicContact CB-SD 3.95Å; E549-M553 WeakPolarHBondContact O-CB 3.39Å; E549-M553 VanDerWaalsContact O-CG 3.27Å; E549-M553 WeakPolarHBondContact O-CG 3.24Å; E549-M553 PolarHBondContact O-N 2.87Å; I551-M553 VanDerWaalsContact C-N 3.33Å; I551-M553 PolarHBondContact O-N 2.97Å; M553-Y557 WeakPolarHBondContact O-CD2 3.49Å; M553-Y557 WeakPolarHBondContact O-CE2 3.15Å
554V84.6Confident86.9Confident20 Ų2041 Ų4112%0.12119%0.191CC..Hα-helixtrans-73-43173.4165.70000111.1K550 I551 E552 Q556 Y557 V624 K628 L630K550-V554 PolarHBondContact O-N 3.32Å; I551-V554 WeakPolarHBondContact O-CA 3.31Å; I551-V554 WeakPolarHBondContact O-CB 3.37Å; I551-V554 PolarHBondContact O-N 2.83Å; E552-V554 PolarHBondContact O-N 3.37Å; V554-Q556 VanDerWaalsContact C-N 3.27Å; V554-Q556 PolarHBondContact O-N 3.37Å; V554-Y557 VanDerWaalsContact O-CD2 3.32Å; V554-Y557 WeakPolarHBondContact O-CD2 3.3Å; V554-Y557 PolarHBondContact O-N 2.96Å; V554-V624 WeakPolarHBondContact O-CG1 3.31Å; V554-K628 HydrophobicContact CG1-CB 3.56Å; V554-K628 HydrophobicContact CG1-CG 3.9Å; V554-K628 HydrophobicContact CG2-CB 4.33Å; V554-L630 HydrophobicContact CB-CD1 4.01Å; V554-L630 HydrophobicContact CB-CD2 4.44Å; V554-L630 HydrophobicContact CB-CG 4.34Å; V554-L630 HydrophobicContact CG1-CD1 3.6Å; V554-L630 HydrophobicContact CG1-CD2 4.46Å; V554-L630 HydrophobicContact CG1-CG 3.86Å; V554-L630 HydrophobicContact CG2-CD2 4.07Å; V554-L630 HydrophobicContact CG2-CG 4.37Å
555Y92.6Very high88Confident0 Ų037.3 Ų37.30%017%0.174CC..Hα-helixtrans-68.8-24.1178.8-75.8-59.3000113.3I551 E552 Y557 C558 I561 I564 I566 M621 N622 A625 L630 K635 V636I551-Y555 HydrophobicContact CG2-CD2 3.65Å; I551-Y555 HydrophobicContact CG2-CE2 3.33Å; I551-Y555 VanDerWaalsContact O-CD2 3.31Å; I551-Y555 WeakPolarHBondContact O-CD2 3.25Å; I551-Y555 PolarHBondContact O-N 3.41Å; E552-Y555 PolarHBondContact O-N 3.47Å; E552-Y555 VanDerWaalsContact O-N 3.08Å; Y555-Y557 PolarHBondContact O-N 2.9Å; Y555-C558 WeakPolarHBondContact O-CA 3.38Å; Y555-C558 WeakPolarHBondContact O-CB 3.27Å; Y555-C558 PolarHBondContact O-N 2.99Å; Y555-I561 WeakPolarHBondContact O-CD1 3.18Å; Y555-I564 HydrophobicContact CD2-CD1 3.94Å; Y555-I564 HydrophobicContact CG-CD1 4.05Å; Y555-I566 HydrophobicContact CD2-CD1 3.75Å; Y555-I566 HydrophobicContact CE2-CD1 3.99Å; Y555-M621 HydrophobicContact CD1-CB 3.78Å; Y555-M621 HydrophobicContact CD1-CE 3.79Å; Y555-M621 HydrophobicContact CD1-CG 4.2Å; Y555-M621 HydrophobicContact CD2-CE 4.3Å; Y555-M621 HydrophobicContact CE1-CB 3.65Å; Y555-M621 HydrophobicContact CE1-CE 4.04Å; Y555-M621 VanDerWaalsContact CE1-O 3.3Å; Y555-M621 WeakPolarHBondContact CE1-O 3.38Å; Y555-M621 HydrophobicContact CG-CE 3.94Å; Y555-N622 PolarHBondContact OH-OD1 3.45Å; Y555-N622 VanDerWaalsContact OH-OD1 3.12Å; Y555-A625 HydrophobicContact CE1-CB 3.79Å; Y555-L630 HydrophobicContact CE2-CD1 4.43Å; Y555-K635 WeakPolarHBondContact OH-CA 3.46Å; Y555-V636 HydrophobicContact CE1-CG2 4.28Å; Y555-V636 HydrophobicContact CE2-CB 4.5Å; Y555-V636 HydrophobicContact CE2-CG1 3.91Å; Y555-V636 HydrophobicContact CE2-CG2 3.98Å; Y555-V636 WeakPolarHBondContact OH-CG2 3.24Å; Y555-V636 PolarHBondContact OH-N 3.36Å
556Q88.7Confident89.1Confident98 Ų9835.4 Ų35.446%0.45817%0.166SC..THydrogen-bonded Turntrans-58.8-15.7171.4-72.9-70.5-45.800114.1E552 V554 C558E552-Q556 VanDerWaalsContact O-CG 3.31Å; E552-Q556 WeakPolarHBondContact O-CG 3.37Å; E552-Q556 PolarHBondContact O-N 2.86Å; V554-Q556 VanDerWaalsContact C-N 3.27Å; V554-Q556 PolarHBondContact O-N 3.37Å; Q556-C558 PolarHBondContact O-N 3.4Å
557Y86.3Confident89.9Confident62 Ų6235.8 Ų35.824%0.24317%0.168CC..THydrogen-bonded Turntrans-76.5-10.6170.2-69.5-93.4000113.3E419 M553 V554 Y555 R559E419-Y557 HydrophobicContact CB-CE1 4.07Å; E419-Y557 WeakPolarHBondContact OE2-CE1 3.23Å; M553-Y557 WeakPolarHBondContact O-CD2 3.49Å; M553-Y557 WeakPolarHBondContact O-CE2 3.15Å; V554-Y557 VanDerWaalsContact O-CD2 3.32Å; V554-Y557 WeakPolarHBondContact O-CD2 3.3Å; V554-Y557 PolarHBondContact O-N 2.96Å; Y555-Y557 PolarHBondContact O-N 2.9Å; Y557-R559 PolarHBondContact O-N 3.39Å
558C89.2Confident90.1Very high6 Ų635.9 Ų35.94%0.04117%0.17CC..SBendtrans-81.5109.2172-167.70000109Y555 Q556 L560 I561 V624Y555-C558 WeakPolarHBondContact O-CA 3.38Å; Y555-C558 WeakPolarHBondContact O-CB 3.27Å; Y555-C558 PolarHBondContact O-N 2.99Å; Q556-C558 PolarHBondContact O-N 3.4Å; C558-L560 PolarHBondContact O-N 2.86Å; C558-I561 HydrophobicContact CB-CD1 3.88Å; C558-I561 HydrophobicContact CB-CG1 4.02Å; C558-I561 PolarHBondContact O-N 3.28Å; C558-V624 HydrophobicContact CB-CG2 4.01Å
559R90.3Very high89.7Confident171 Ų17138.6 Ų38.665%0.64519%0.185SC*.THydrogen-bonded Turntrans-57.1-17.8-178.7-65.6-177.4176.1-164.5-7.2114.7Y557 I561 E585Y557-R559 PolarHBondContact O-N 3.39Å; R559-I561 PolarHBondContact O-N 2.79Å; R559-E585 HydrophobicContact CB-CG 4.46Å; R559-E585 WeakPolarHBondContact O-CB 3.44Å
560L93.4Very high89.2Confident7 Ų739.4 Ų39.44%0.03720%0.197CC..THydrogen-bonded Turntrans-76.1-8.6177.8-58-174.2000113.1C558 P581 D582 E585 L586 F616 V617 K620C558-L560 PolarHBondContact O-N 2.86Å; L560-P581 CarbonylContact O-C 3.09Å; L560-P581 VanDerWaalsContact O-CA 3.23Å; L560-P581 WeakPolarHBondContact O-CA 3.48Å; L560-D582 PolarHBondContact O-N 2.95Å; L560-E585 HydrophobicContact CD2-CB 4.31Å; L560-L586 HydrophobicContact CD2-CD1 4.48Å; L560-F616 HydrophobicContact CD1-CD1 4.27Å; L560-F616 HydrophobicContact CD1-CE1 3.7Å; L560-F616 HydrophobicContact CD1-CZ 4.4Å; L560-V617 HydrophobicContact CD1-CG2 4.28Å; L560-K620 HydrophobicContact CD1-CB 3.89Å; L560-K620 HydrophobicContact CD1-CG 3.88Å
561I94.5Very high88.9Confident12 Ų1242.1 Ų42.16%0.06221%0.211CC..EExtended strand (participates in β ladder)trans-106122.7-174.1-56.5-177.8000109.6Y555 C558 R559 Q563 I564 V579 M621Y555-I561 WeakPolarHBondContact O-CD1 3.18Å; C558-I561 HydrophobicContact CB-CD1 3.88Å; C558-I561 HydrophobicContact CB-CG1 4.02Å; C558-I561 PolarHBondContact O-N 3.28Å; R559-I561 PolarHBondContact O-N 2.79Å; I561-Q563 WeakPolarHBondContact CG2-O 3.36Å; I561-I564 HydrophobicContact CD1-CD1 4.3Å; I561-I564 HydrophobicContact CG2-CB 3.95Å; I561-I564 HydrophobicContact CG2-CG2 4.26Å; I561-V579 HydrophobicContact CG1-CG1 4.12Å; I561-V579 HydrophobicContact CG2-CG1 4.32Å; I561-M621 HydrophobicContact CD1-CE 3.93Å; I561-M621 HydrophobicContact CD1-CG 3.83Å; I561-M621 HydrophobicContact CD1-SD 3.97Å; I561-M621 HydrophobicContact CG1-CG 4.46Å
562S92.8Very high88.6Confident61 Ų6143.7 Ų43.743%0.42722%0.218SC..EExtended strand (participates in β ladder)trans-89.2-50.3166.9178.70000110.5V580S562-V580 WeakPolarHBondContact CA-O 3.28Å; S562-V580 WeakPolarHBondContact CB-O 2.86Å; S562-V580 PolarHBondContact N-O 3.1Å
563Q95.3Very high88.1Confident41 Ų4147.1 Ų47.119%0.19224%0.237CC..EExtended strand (participates in β ladder)trans-138.3151.9175.9-56.2171.4-59.500110.5I561 V580 F646I561-Q563 WeakPolarHBondContact CG2-O 3.36Å; Q563-V580 HydrophobicContact CB-CB 3.92Å; Q563-V580 HydrophobicContact CB-CG2 3.89Å; Q563-V580 PolarHBondContact N-O 3.22Å; Q563-V580 VanDerWaalsContact N-O 3.14Å; Q563-V580 PolarHBondContact O-N 3.04Å; Q563-F646 HydrophobicContact CB-CD2 3.77Å; Q563-F646 HydrophobicContact CB-CE2 3.97Å; Q563-F646 HydrophobicContact CB-CG 4.48Å; Q563-F646 PolarHBondContact NE2-O 2.9Å
564I95.7Very high88.2Confident11 Ų1144.8 Ų44.86%0.05623%0.225CC..EExtended strand (participates in β ladder)trans-144.1141.2179.2-175.2171.2000110.3E552 Y555 I561 I566 A577 V578 V579 M621E552-I564 HydrophobicContact CB-CG2 3.98Å; E552-I564 HydrophobicContact CG-CG2 3.99Å; Y555-I564 HydrophobicContact CD2-CD1 3.94Å; Y555-I564 HydrophobicContact CG-CD1 4.05Å; I561-I564 HydrophobicContact CD1-CD1 4.3Å; I561-I564 HydrophobicContact CG2-CB 3.95Å; I561-I564 HydrophobicContact CG2-CG2 4.26Å; I564-I566 HydrophobicContact CD1-CD1 4.23Å; I564-I566 HydrophobicContact CD1-CG1 3.99Å; I564-I566 HydrophobicContact CG1-CG1 4.11Å; I564-A577 HydrophobicContact CD1-CB 4.04Å; I564-A577 HydrophobicContact CG1-CB 4.02Å; I564-V578 CarbonylContact C-O 3.59Å; I564-V578 WeakPolarHBondContact CA-O 3.24Å; I564-V579 HydrophobicContact CD1-CG2 4.34Å; I564-V579 HydrophobicContact CG1-CG2 4.22Å; I564-M621 HydrophobicContact CD1-CE 3.61Å
565F95.8Very high88.6Confident1 Ų143.9 Ų43.90%0.00422%0.219CC..EExtended strand (participates in β ladder)trans-126.5116.6169165.9-134.5000108.5D567 A577 V578 F646 L659 R661 A664 R665 F668 I672F565-D567 HydrophobicContact CE1-CB 4.24Å; F565-D567 HydrophobicContact CE2-CB 4.33Å; F565-D567 HydrophobicContact CZ-CB 3.86Å; F565-A577 CarbonylContact O-C 3.55Å; F565-A577 WeakPolarHBondContact O-CA 3.3Å; F565-V578 HydrophobicContact CB-CB 4.41Å; F565-V578 HydrophobicContact CD1-CB 4.42Å; F565-V578 HydrophobicContact CD1-CG2 4.37Å; F565-V578 PolarHBondContact N-O 3.06Å; F565-V578 PolarHBondContact O-N 3.47Å; F565-F646 HydrophobicContact CB-CE2 3.91Å; F565-F646 HydrophobicContact CB-CZ 3.96Å; F565-L659 HydrophobicContact CB-CD2 3.82Å; F565-L659 HydrophobicContact CD2-CD2 3.49Å; F565-L659 VanDerWaalsContact CD2-CD2 3.49Å; F565-L659 HydrophobicContact CE2-CD2 4.4Å; F565-L659 HydrophobicContact CG-CD2 3.95Å; F565-R661 HydrophobicContact CE2-CB 4.48Å; F565-R661 HydrophobicContact CE2-CG 4.34Å; F565-A664 HydrophobicContact CD1-CB 3.83Å; F565-A664 HydrophobicContact CD2-CB 4.42Å; F565-A664 HydrophobicContact CE1-CB 3.81Å; F565-A664 HydrophobicContact CE2-CB 4.42Å; F565-A664 HydrophobicContact CG-CB 4.14Å; F565-A664 HydrophobicContact CZ-CB 4.13Å; F565-R665 HydrophobicContact CE1-CB 4.45Å; F565-R665 HydrophobicContact CZ-CB 3.93Å; F565-F668 HydrophobicContact CD1-CD2 4.2Å; F565-I672 HydrophobicContact CE1-CD1 3.78Å; F565-I672 HydrophobicContact CZ-CD1 4.44Å
566I95.3Very high88.8Confident0 Ų043.9 Ų43.90%022%0.219CC..EExtended strand (participates in β ladder)trans-95.6133.6175.3-63.7179.1000109.4F538 P548 I551 E552 Y555 I564 P575 V576 A577 V636 R661F538-I566 HydrophobicContact CZ-CG2 4.22Å; P548-I566 HydrophobicContact CB-CB 4.13Å; P548-I566 HydrophobicContact CB-CG2 4.19Å; I551-I566 HydrophobicContact CB-CD1 3.69Å; I551-I566 HydrophobicContact CG2-CD1 3.27Å; E552-I566 HydrophobicContact CB-CD1 4.38Å; E552-I566 HydrophobicContact CG-CB 3.99Å; E552-I566 HydrophobicContact CG-CD1 3.54Å; E552-I566 HydrophobicContact CG-CG1 3.55Å; E552-I566 PolarHBondContact OE1-N 3.36Å; Y555-I566 HydrophobicContact CD2-CD1 3.75Å; Y555-I566 HydrophobicContact CE2-CD1 3.99Å; I564-I566 HydrophobicContact CD1-CD1 4.23Å; I564-I566 HydrophobicContact CD1-CG1 3.99Å; I564-I566 HydrophobicContact CG1-CG1 4.11Å; I566-P575 HydrophobicContact CG2-CB 3.9Å; I566-V576 WeakPolarHBondContact CA-O 3.23Å; I566-A577 HydrophobicContact CG1-CB 4.09Å; I566-V636 HydrophobicContact CD1-CG1 4.29Å; I566-V636 HydrophobicContact CG1-CG1 4.31Å; I566-V636 HydrophobicContact CG2-CG1 4.48Å; I566-R661 PolarHBondContact O-NH1 3.33Å
567D93.7Very high89.3Confident8 Ų839.2 Ų39.24%0.04320%0.198CC..EExtended strand (participates in β ladder)trans-130161175.3-158.238.1000112.4F565 P575 V576 R665 I672 Y676F565-D567 HydrophobicContact CE1-CB 4.24Å; F565-D567 HydrophobicContact CE2-CB 4.33Å; F565-D567 HydrophobicContact CZ-CB 3.86Å; D567-P575 WeakPolarHBondContact O-CA 3.38Å; D567-V576 PolarHBondContact N-O 2.87Å; D567-V576 PolarHBondContact O-N 2.59Å; D567-R665 IonicContact OD1-CZ 2.59Å; D567-R665 IonicContact OD1-NE 2.69Å; D567-R665 PolarHBondContact OD1-NE 2.99Å; D567-R665 IonicContact OD1-NH2 3.33Å; D567-R665 PolarHBondContact OD1-NH2 2.91Å; D567-R665 IonicContact OD2-NE 3.42Å; D567-R665 PolarHBondContact OD2-NE 2.68Å; D567-I672 HydrophobicContact CB-CD1 3.92Å; D567-I672 HydrophobicContact CB-CG1 4.44Å; D567-Y676 PolarHBondContact O-OH 2.76Å
568G86Confident89.8Confident11 Ų1136.3 Ų36.311%0.11319%0.187CC..  trans-145.1153.8-174.600000113F538 Y676F538-G568 VanDerWaalsContact CD2-CA 3.5Å; F538-G568 VanDerWaalsContact CZ-CA 3.48Å; G568-Y676 VanDerWaalsContact CA-OH 3.23Å; G568-Y676 WeakPolarHBondContact CA-OH 3.13Å
569N80.4Confident90.3Very high58 Ų5836 Ų3631%0.3119%0.185SC..  trans-130.8135.5175.2-176.8-36.1000109.2Q571 K572 Y676N569-Q571 PolarHBondContact O-N 3.24Å; N569-Q571 WeakPolarHBondContact OD1-CB 3.13Å; N569-Q571 PolarHBondContact OD1-N 3.46Å; N569-K572 HydrophobicContact CB-CB 4.28Å; N569-K572 HydrophobicContact CB-CG 3.85Å; N569-K572 PolarHBondContact O-N 3.05Å; N569-Y676 HydrophobicContact CB-CE2 4.02Å; N569-Y676 PolarHBondContact N-OH 2.76Å
570S73.2Confident90.6Very high80 Ų8028.2 Ų28.256%0.55916%0.156SC*.THydrogen-bonded Turntrans-64.4-15.7179.653.80000114.9K539 A541K539-S570 WeakPolarHBondContact O-CA 3.38Å; A541-S570 VanDerWaalsContact CA-O 3.23Å; A541-S570 WeakPolarHBondContact CA-O 3.4Å; A541-S570 PolarHBondContact N-O 2.8Å
571Q75.4Confident90.8Very high154 Ų15428 Ų2872%0.7216%0.155SC*.THydrogen-bonded Turntrans-90.3-1.9173.3-59.8180-7.500113.1N569N569-Q571 PolarHBondContact O-N 3.24Å; N569-Q571 WeakPolarHBondContact OD1-CB 3.13Å; N569-Q571 PolarHBondContact OD1-N 3.46Å
572K80.5Confident90.9Very high32 Ų3230 Ų3014%0.13917%0.166CC..  trans-118.6147.4-175.1-55.2-69.1174.4-176.80109.6L540 A541 N569 Y676 E680L540-K572 CarbonylContact C-O 3.53Å; L540-K572 WeakPolarHBondContact CA-O 3.42Å; L540-K572 WeakPolarHBondContact CB-O 3.39Å; L540-K572 WeakPolarHBondContact CD2-O 3.2Å; A541-K572 PolarHBondContact N-O 2.94Å; N569-K572 HydrophobicContact CB-CB 4.28Å; N569-K572 HydrophobicContact CB-CG 3.85Å; N569-K572 PolarHBondContact O-N 3.05Å; K572-Y676 HydrophobicContact CB-CD1 3.87Å; K572-Y676 HydrophobicContact CB-CE1 3.53Å; K572-Y676 HydrophobicContact CD-CD1 3.73Å; K572-Y676 HydrophobicContact CD-CE1 4.3Å; K572-Y676 HydrophobicContact CD-CG 4.11Å; K572-Y676 HydrophobicContact CG-CD1 3.45Å; K572-Y676 VanDerWaalsContact CG-CD1 3.45Å; K572-Y676 HydrophobicContact CG-CD2 4.44Å; K572-Y676 HydrophobicContact CG-CE1 3.54Å; K572-Y676 HydrophobicContact CG-CG 3.93Å; K572-E680 WeakPolarHBondContact CD-OE1 3.44Å; K572-E680 IonicContact NZ-OE1 2.85Å; K572-E680 PolarHBondContact NZ-OE1 2.84Å; K572-E680 IonicContact NZ-OE2 3.82Å; K572-E680 PolarHBondContact NZ-OE2 3.09Å
573N81.2Confident90.9Very high93 Ų9328.8 Ų28.850%0.49715%0.153SC..SBendtrans-96.16.2-175.262.3-21.6000114.4Q542Q542-N573 PolarHBondContact NE2-O 3.11Å; Q542-N573 PolarHBondContact OE1-O 3.19Å
574Y87.5Confident90.8Very high15 Ų1532.1 Ų32.16%0.05918%0.176CC..SBendtrans-147.2156.117954.8-99000111.4V576 Q637 Y676 H679Y574-V576 HydrophobicContact CD2-CG1 4.2Å; Y574-V576 HydrophobicContact CE2-CG1 4Å; Y574-Q637 HydrophobicContact CD1-CB 4.33Å; Y574-Q637 HydrophobicContact CD1-CG 4.02Å; Y574-Q637 HydrophobicContact CD2-CB 3.51Å; Y574-Q637 HydrophobicContact CD2-CG 3.82Å; Y574-Q637 HydrophobicContact CE2-CB 3.99Å; Y574-Q637 HydrophobicContact CG-CB 3.71Å; Y574-Q637 HydrophobicContact CG-CG 3.46Å; Y574-Q637 VanDerWaalsContact CG-CG 3.46Å; Y574-Y676 HydrophobicContact CD2-CD1 4.38Å; Y574-Y676 HydrophobicContact CD2-CE1 4.03Å; Y574-Y676 AromaticContact CE2-CD1 3.58Å; Y574-Y676 HydrophobicContact CE2-CD1 3.58Å; Y574-Y676 AromaticContact CE2-CE1 3.67Å; Y574-Y676 HydrophobicContact CE2-CE1 3.67Å; Y574-Y676 AromaticContact CZ-CD1 3.99Å; Y574-H679 AromaticContact CE1-CD2 3.66Å; Y574-H679 AromaticContact CE2-CD2 3.95Å; Y574-H679 AromaticContact CZ-CD2 3.32Å; Y574-H679 AromaticContact CZ-CG 3.96Å; Y574-H679 PolarHBondContact OH-CD2 2.94Å
575P93.7Very high90.6Very high0 Ų034.8 Ų34.80%019%0.188CC..  trans-84.4162.3170.733.1-34.6000112.7F538 I566 D567 F633 K635 V636 Q637F538-P575 HydrophobicContact CE2-CB 4.25Å; F538-P575 HydrophobicContact CZ-CB 4.04Å; I566-P575 HydrophobicContact CG2-CB 3.9Å; D567-P575 WeakPolarHBondContact O-CA 3.38Å; P575-F633 WeakPolarHBondContact CD-O 3.48Å; P575-K635 WeakPolarHBondContact CD-O 3.48Å; P575-V636 HydrophobicContact CB-CG1 4.42Å; P575-V636 HydrophobicContact CG-CG1 4.24Å; P575-V636 WeakPolarHBondContact O-CA 3.35Å; P575-Q637 PolarHBondContact O-N 3.11Å; P575-Q637 VanDerWaalsContact O-N 3.12Å
576V97Very high90.5Very high0 Ų034.7 Ų34.70%019%0.188CC..EExtended strand (participates in β ladder)trans-125.4164.9171.7-60.60000110.2I566 D567 Y574 A638 I672 L675 Y676I566-V576 WeakPolarHBondContact CA-O 3.23Å; D567-V576 PolarHBondContact N-O 2.87Å; D567-V576 PolarHBondContact O-N 2.59Å; Y574-V576 HydrophobicContact CD2-CG1 4.2Å; Y574-V576 HydrophobicContact CE2-CG1 4Å; V576-A638 WeakPolarHBondContact CA-O 3.21Å; V576-A638 HydrophobicContact CG1-CB 4.05Å; V576-I672 HydrophobicContact CG2-CG2 4.04Å; V576-L675 HydrophobicContact CB-CB 4.28Å; V576-L675 HydrophobicContact CB-CD1 3.99Å; V576-L675 HydrophobicContact CG1-CB 4.17Å; V576-L675 HydrophobicContact CG2-CB 4.46Å; V576-L675 HydrophobicContact CG2-CD1 4.12Å; V576-Y676 HydrophobicContact CG1-CD1 3.91Å; V576-Y676 HydrophobicContact CG1-CE1 3.56Å; V576-Y676 HydrophobicContact CG1-CE2 4.33Å; V576-Y676 HydrophobicContact CG1-CG 4.44Å; V576-Y676 HydrophobicContact CG2-CD2 4.49Å; V576-Y676 HydrophobicContact CG2-CE1 4.4Å; V576-Y676 HydrophobicContact CG2-CE2 3.79Å
577A98Very high90.5Very high1 Ų137.7 Ų37.71%0.00820%0.199CC..EExtended strand (participates in β ladder)trans-138148.5177.600000115I564 F565 I566 V579 V636 A638 I639 Y640I564-A577 HydrophobicContact CD1-CB 4.04Å; I564-A577 HydrophobicContact CG1-CB 4.02Å; F565-A577 CarbonylContact O-C 3.55Å; F565-A577 WeakPolarHBondContact O-CA 3.3Å; I566-A577 HydrophobicContact CG1-CB 4.09Å; A577-V579 HydrophobicContact CB-CG2 4.19Å; A577-V636 HydrophobicContact CB-CG1 3.95Å; A577-A638 PolarHBondContact N-O 2.76Å; A577-A638 VanDerWaalsContact N-O 3.08Å; A577-I639 HydrophobicContact CB-CG2 4.16Å; A577-I639 CarbonylContact O-C 3.52Å; A577-I639 WeakPolarHBondContact O-CA 3.42Å; A577-Y640 PolarHBondContact O-N 2.8Å
578V98.2Very high90.3Very high1 Ų140 Ų401%0.00622%0.216CC..EExtended strand (participates in β ladder)trans-97.1128160.7176.90000107.9I564 F565 Y640 T642 F646 F668I564-V578 CarbonylContact C-O 3.59Å; I564-V578 WeakPolarHBondContact CA-O 3.24Å; F565-V578 HydrophobicContact CB-CB 4.41Å; F565-V578 HydrophobicContact CD1-CB 4.42Å; F565-V578 HydrophobicContact CD1-CG2 4.37Å; F565-V578 PolarHBondContact N-O 3.06Å; F565-V578 PolarHBondContact O-N 3.47Å; V578-Y640 WeakPolarHBondContact CA-O 3.45Å; V578-Y640 HydrophobicContact CG1-CD1 4.07Å; V578-Y640 HydrophobicContact CG2-CD1 4.44Å; V578-T642 HydrophobicContact CG1-CG2 3.9Å; V578-F646 HydrophobicContact CB-CZ 4.48Å; V578-F646 HydrophobicContact CG1-CE1 4.17Å; V578-F646 HydrophobicContact CG1-CZ 3.98Å; V578-F668 HydrophobicContact CB-CD2 4.45Å; V578-F668 HydrophobicContact CG1-CD1 4.21Å; V578-F668 HydrophobicContact CG1-CD2 4.25Å; V578-F668 HydrophobicContact CG1-CE1 3.96Å; V578-F668 HydrophobicContact CG1-CE2 4Å; V578-F668 HydrophobicContact CG1-CG 4.37Å; V578-F668 HydrophobicContact CG1-CZ 3.86Å; V578-F668 HydrophobicContact CG2-CB 4Å; V578-F668 HydrophobicContact CG2-CD1 4.13Å; V578-F668 HydrophobicContact CG2-CD2 4.1Å; V578-F668 HydrophobicContact CG2-CG 3.82Å
579V98.2Very high90.5Very high0 Ų041 Ų410%022%0.222CC..EExtended strand (participates in β ladder)trans-125.5125.7-172.8179.60000109.3I561 I564 A577 P581 M621 I639 Y640 L641 T642I561-V579 HydrophobicContact CG1-CG1 4.12Å; I561-V579 HydrophobicContact CG2-CG1 4.32Å; I564-V579 HydrophobicContact CD1-CG2 4.34Å; I564-V579 HydrophobicContact CG1-CG2 4.22Å; A577-V579 HydrophobicContact CB-CG2 4.19Å; V579-P581 WeakPolarHBondContact O-CD 3.5Å; V579-M621 HydrophobicContact CG2-CE 4.02Å; V579-M621 HydrophobicContact CG2-SD 3.96Å; V579-I639 HydrophobicContact CG2-CB 4.27Å; V579-I639 HydrophobicContact CG2-CG2 4.21Å; V579-Y640 PolarHBondContact N-O 3.03Å; V579-L641 HydrophobicContact CB-CD2 3.9Å; V579-L641 HydrophobicContact CG1-CD2 4.13Å; V579-L641 WeakPolarHBondContact O-CA 3.36Å; V579-T642 PolarHBondContact O-N 3.02Å
580V97.6Very high91Very high6 Ų638.3 Ų38.34%0.03621%0.207CC..EExtended strand (participates in β ladder)trans-92.8110.9164.7-1730000107S562 Q563 T642 E644 F646S562-V580 WeakPolarHBondContact CA-O 3.28Å; S562-V580 WeakPolarHBondContact CB-O 2.86Å; S562-V580 PolarHBondContact N-O 3.1Å; Q563-V580 HydrophobicContact CB-CB 3.92Å; Q563-V580 HydrophobicContact CB-CG2 3.89Å; Q563-V580 PolarHBondContact N-O 3.22Å; Q563-V580 VanDerWaalsContact N-O 3.14Å; Q563-V580 PolarHBondContact O-N 3.04Å; V580-T642 HydrophobicContact CG2-CG2 3.82Å; V580-E644 WeakPolarHBondContact CG2-O 3.28Å; V580-F646 HydrophobicContact CG2-CD1 4.18Å; V580-F646 HydrophobicContact CG2-CE1 3.91Å; V580-F646 HydrophobicContact CG2-CE2 4.47Å; V580-F646 HydrophobicContact CG2-CZ 4.08Å
581P97.1Very high91.7Very high3 Ų336.5 Ų36.52%0.01920%0.195CC..EExtended strand (participates in β ladder)trans-67.5152.3-179.7-2033.6000112.5L560 V579 F583 L586 L641 T642L560-P581 CarbonylContact O-C 3.09Å; L560-P581 VanDerWaalsContact O-CA 3.23Å; L560-P581 WeakPolarHBondContact O-CA 3.48Å; V579-P581 WeakPolarHBondContact O-CD 3.5Å; P581-F583 HydrophobicContact CB-CD1 4.45Å; P581-F583 HydrophobicContact CB-CE1 4.25Å; P581-F583 HydrophobicContact CB-CZ 4.35Å; P581-F583 HydrophobicContact CG-CE1 4.17Å; P581-F583 HydrophobicContact CG-CZ 4.13Å; P581-F583 PolarHBondContact O-N 3.34Å; P581-L586 HydrophobicContact CB-CD2 3.9Å; P581-L586 HydrophobicContact CG-CD2 4.31Å; P581-L641 HydrophobicContact CG-CB 4.43Å; P581-L641 HydrophobicContact CG-CD2 4.3Å; P581-T642 WeakPolarHBondContact CD-O 3.21Å
582D95.6Very high92.2Very high55 Ų5535.5 Ų35.529%0.29419%0.194SC..  trans-77.2101.2154.2-174.3-49.5000107.7L560 T584 E585 L586L560-D582 PolarHBondContact O-N 2.95Å; D582-T584 PolarHBondContact O-N 3.48Å; D582-T584 WeakPolarHBondContact OD1-CA 3.48Å; D582-T584 VanDerWaalsContact OD1-CB 3.32Å; D582-T584 WeakPolarHBondContact OD1-CB 3.26Å; D582-T584 PolarHBondContact OD1-N 2.96Å; D582-E585 HydrophobicContact CB-CB 4.11Å; D582-E585 HydrophobicContact CB-CG 4.39Å; D582-E585 PolarHBondContact O-N 3.46Å; D582-E585 PolarHBondContact OD1-N 2.89Å; D582-L586 WeakPolarHBondContact O-CB 3.35Å; D582-L586 PolarHBondContact O-N 3.01Å
583F94.3Very high92.2Very high34 Ų3436 Ų3615%0.14921%0.208CC..Hα-helixtrans-64.1-24.4-175.6-69.7-74.5000113.5P581 L586 R587 D604 D643P581-F583 HydrophobicContact CB-CD1 4.45Å; P581-F583 HydrophobicContact CB-CE1 4.25Å; P581-F583 HydrophobicContact CB-CZ 4.35Å; P581-F583 HydrophobicContact CG-CE1 4.17Å; P581-F583 HydrophobicContact CG-CZ 4.13Å; P581-F583 PolarHBondContact O-N 3.34Å; F583-L586 HydrophobicContact CD1-CD2 4.39Å; F583-R587 WeakPolarHBondContact O-CB 3.35Å; F583-R587 WeakPolarHBondContact O-CG 3.42Å; F583-R587 PolarHBondContact O-N 2.95Å; F583-R587 VanDerWaalsContact O-N 3.09Å; F583-D604 HydrophobicContact CD1-CB 3.7Å; F583-D604 VanDerWaalsContact CD1-CG 3.4Å; F583-D604 WeakPolarHBondContact CD1-OD1 3.34Å; F583-D604 HydrophobicContact CD2-CB 4.32Å; F583-D604 HydrophobicContact CE1-CB 3.49Å; F583-D604 VanDerWaalsContact CE1-CB 3.49Å; F583-D604 HydrophobicContact CE2-CB 4.13Å; F583-D604 HydrophobicContact CG-CB 4.13Å; F583-D604 VanDerWaalsContact CG-CG 3.49Å; F583-D604 HydrophobicContact CZ-CB 3.73Å; F583-D643 HydrophobicContact CE2-CB 4.23Å; F583-D643 HydrophobicContact CZ-CB 3.81Å
584T92.2Very high92.3Very high111 Ų11140.7 Ų40.768%0.68122%0.224SC*.Hα-helixtrans-71.5-51.8176.6-55.40000110D582 L586 S588D582-T584 PolarHBondContact O-N 3.48Å; D582-T584 WeakPolarHBondContact OD1-CA 3.48Å; D582-T584 VanDerWaalsContact OD1-CB 3.32Å; D582-T584 WeakPolarHBondContact OD1-CB 3.26Å; D582-T584 PolarHBondContact OD1-N 2.96Å; T584-L586 PolarHBondContact O-N 3.15Å; T584-S588 WeakPolarHBondContact O-CB 3.28Å; T584-S588 PolarHBondContact O-N 3.31Å; T584-S588 VanDerWaalsContact O-N 3.13Å
585E92.3Very high92Very high67 Ų6742.8 Ų42.831%0.31324%0.236SC..Hα-helixtrans-66.9-35.7178.1-70.7-66.4151.600112.3R559 L560 D582 S589R559-E585 HydrophobicContact CB-CG 4.46Å; R559-E585 WeakPolarHBondContact O-CB 3.44Å; L560-E585 HydrophobicContact CD2-CB 4.31Å; D582-E585 HydrophobicContact CB-CB 4.11Å; D582-E585 HydrophobicContact CB-CG 4.39Å; D582-E585 PolarHBondContact O-N 3.46Å; D582-E585 PolarHBondContact OD1-N 2.89Å; E585-S589 WeakPolarHBondContact O-CB 3.34Å; E585-S589 PolarHBondContact O-N 3.25Å; E585-S589 PolarHBondContact O-OG 2.87Å
586L94.3Very high91.7Very high0 Ų044.1 Ų44.10%024%0.243CC..Hα-helixtrans-62.5-53.1175.9-178.661000111.4L560 P581 D582 F583 T584 S588 S589 L590 V613 F616 V617L560-L586 HydrophobicContact CD2-CD1 4.48Å; P581-L586 HydrophobicContact CB-CD2 3.9Å; P581-L586 HydrophobicContact CG-CD2 4.31Å; D582-L586 WeakPolarHBondContact O-CB 3.35Å; D582-L586 PolarHBondContact O-N 3.01Å; F583-L586 HydrophobicContact CD1-CD2 4.39Å; T584-L586 PolarHBondContact O-N 3.15Å; L586-S588 VanDerWaalsContact C-N 3.3Å; L586-S588 PolarHBondContact O-N 2.98Å; L586-S589 PolarHBondContact O-N 2.88Å; L586-S589 VanDerWaalsContact O-N 3.15Å; L586-L590 HydrophobicContact CD1-CD1 4.21Å; L586-L590 HydrophobicContact CD1-CG 4.15Å; L586-L590 HydrophobicContact CG-CD1 4.05Å; L586-L590 HydrophobicContact CG-CG 4.4Å; L586-L590 VanDerWaalsContact O-CG 3.29Å; L586-L590 WeakPolarHBondContact O-CG 3.25Å; L586-L590 PolarHBondContact O-N 3.4Å; L586-V613 HydrophobicContact CD1-CG1 4.12Å; L586-V613 HydrophobicContact CD2-CG1 4.03Å; L586-F616 HydrophobicContact CD1-CD1 4.4Å; L586-F616 HydrophobicContact CD1-CE1 4.41Å; L586-V617 HydrophobicContact CD1-CG2 3.79Å
587R93.6Very high90.9Very high62 Ų6252.4 Ų52.423%0.23428%0.281CS..Hα-helixtrans-61.9-39.5-179.9-72.1174.7-177.8-813.3111.8F583 S591 H599 L602 D604 L607F583-R587 WeakPolarHBondContact O-CB 3.35Å; F583-R587 WeakPolarHBondContact O-CG 3.42Å; F583-R587 PolarHBondContact O-N 2.95Å; F583-R587 VanDerWaalsContact O-N 3.09Å; R587-S591 PolarHBondContact O-N 3.23Å; R587-S591 VanDerWaalsContact O-N 3.09Å; R587-S591 PolarHBondContact O-OG 2.98Å; R587-H599 PolarHBondContact NH1-O 2.92Å; R587-L602 PolarHBondContact NH1-O 3.42Å; R587-L602 PolarHBondContact NH2-O 2.92Å; R587-D604 IonicContact CZ-OD1 3.81Å; R587-D604 IonicContact NE-OD1 2.78Å; R587-D604 PolarHBondContact NE-OD1 3.37Å; R587-D604 IonicContact NH2-OD1 2.69Å; R587-D604 PolarHBondContact NH2-OD1 2.89Å; R587-L607 HydrophobicContact CG-CD1 4.08Å; R587-L607 VanDerWaalsContact CZ-CD1 3.43Å
588S89.7Confident90Very high57 Ų5757.6 Ų57.640%0.39931%0.309SS..Hα-helixtrans-59.2-47.3173.5-1780000111.8T584 L586 S591 N592T584-S588 WeakPolarHBondContact O-CB 3.28Å; T584-S588 PolarHBondContact O-N 3.31Å; T584-S588 VanDerWaalsContact O-N 3.13Å; L586-S588 VanDerWaalsContact C-N 3.3Å; L586-S588 PolarHBondContact O-N 2.98Å; S588-S591 PolarHBondContact O-N 3.2Å; S588-N592 PolarHBondContact O-N 3.49Å; S588-N592 PolarHBondContact O-ND2 2.77Å
589S90.2Very high89.2Confident33 Ų3358.3 Ų58.323%0.23131%0.312CS..Hα-helixtrans-67.8-39.1-179.5-64.10000113.2E585 L586 N592 G593E585-S589 WeakPolarHBondContact O-CB 3.34Å; E585-S589 PolarHBondContact O-N 3.25Å; E585-S589 PolarHBondContact O-OG 2.87Å; L586-S589 PolarHBondContact O-N 2.88Å; L586-S589 VanDerWaalsContact O-N 3.15Å; S589-N592 PolarHBondContact O-N 2.7Å; S589-G593 PolarHBondContact O-N 3.18Å
590L91.8Very high88.4Confident0 Ų066.1 Ų66.10%035%0.346CS..Hα-helixtrans-64.5-39.2175.9-68176000112L586 K594 I595 H599 L607 V613 F616L586-L590 HydrophobicContact CD1-CD1 4.21Å; L586-L590 HydrophobicContact CD1-CG 4.15Å; L586-L590 HydrophobicContact CG-CD1 4.05Å; L586-L590 HydrophobicContact CG-CG 4.4Å; L586-L590 VanDerWaalsContact O-CG 3.29Å; L586-L590 WeakPolarHBondContact O-CG 3.25Å; L586-L590 PolarHBondContact O-N 3.4Å; L590-K594 PolarHBondContact O-N 3.02Å; L590-I595 HydrophobicContact CD2-CB 3.79Å; L590-I595 HydrophobicContact CD2-CG1 4.43Å; L590-I595 HydrophobicContact CD2-CG2 3.8Å; L590-I595 PolarHBondContact O-N 3.49Å; L590-H599 HydrophobicContact CD1-CB 4.27Å; L590-L607 HydrophobicContact CD1-CD2 4.06Å; L590-V613 HydrophobicContact CD1-CG2 4.06Å; L590-V613 HydrophobicContact CD2-CG2 4.27Å; L590-F616 HydrophobicContact CD2-CD1 3.9Å; L590-F616 HydrophobicContact CD2-CE1 4.19Å; L590-F616 HydrophobicContact CD2-CG 4.44Å
591S88.2Confident87.8Confident43 Ų4374.1 Ų74.130%0.30138%0.38SS..Hα-helixtrans-62.5-52.8173.2-80.90000112R587 S588 G593 K594 H599R587-S591 PolarHBondContact O-N 3.23Å; R587-S591 VanDerWaalsContact O-N 3.09Å; R587-S591 PolarHBondContact O-OG 2.98Å; S588-S591 PolarHBondContact O-N 3.2Å; S591-G593 VanDerWaalsContact C-N 3.35Å; S591-G593 PolarHBondContact O-N 3.41Å; S591-K594 PolarHBondContact O-N 2.89Å; S591-H599 PolarHBondContact OG-CE1 3.47Å; S591-H599 PolarHBondContact OG-NE2 3.28Å
592N84.2Confident87.5Confident133 Ų13376.1 Ų76.171%0.71139%0.391SS*.Hα-helixtrans-67-34.9-174.7-70.4-25.2000112.8S588 S589S588-N592 PolarHBondContact O-N 3.49Å; S588-N592 PolarHBondContact O-ND2 2.77Å; S589-N592 PolarHBondContact O-N 2.7Å
593G81.7Confident87.4Confident42 Ų4276.1 Ų76.143%0.43340%0.395SS..THydrogen-bonded Turntrans-85.9-4.8178.800000115.1S589 S591 I595S589-G593 PolarHBondContact O-N 3.18Å; S591-G593 VanDerWaalsContact C-N 3.35Å; S591-G593 PolarHBondContact O-N 3.41Å; G593-I595 PolarHBondContact O-N 3.26Å
594K82.5Confident87.4Confident192 Ų19277.3 Ų77.384%0.83540%0.403SS*.THydrogen-bonded Turntrans49.634.9-169.8-60.3-177.4179.7179.20113.2L590 S591L590-K594 PolarHBondContact O-N 3.02Å; S591-K594 PolarHBondContact O-N 2.89Å
595I82.5Confident87.5Confident59 Ų5973.1 Ų73.130%0.30338%0.378SS..  trans-71.9-39-171.3-57.6-60.7000111.8L590 G593 T612 F616L590-I595 HydrophobicContact CD2-CB 3.79Å; L590-I595 HydrophobicContact CD2-CG1 4.43Å; L590-I595 HydrophobicContact CD2-CG2 3.8Å; L590-I595 PolarHBondContact O-N 3.49Å; G593-I595 PolarHBondContact O-N 3.26Å; I595-T612 HydrophobicContact CG2-CG2 3.94Å; I595-F616 HydrophobicContact CD1-CD2 3.88Å; I595-F616 HydrophobicContact CD1-CE2 3.97Å; I595-F616 HydrophobicContact CG1-CD2 3.79Å; I595-F616 HydrophobicContact CG1-CE2 3.77Å; I595-F616 HydrophobicContact CG1-CG 4.38Å; I595-F616 HydrophobicContact CG1-CZ 4.36Å; I595-F616 HydrophobicContact CG2-CB 3.99Å; I595-F616 HydrophobicContact CG2-CD2 4.11Å; I595-F616 HydrophobicContact CG2-CG 4.04Å
596L85.9Confident87.7Confident28 Ų2874.2 Ų74.215%0.14738%0.384CS..SBendtrans-137122.2-178.6-174.767.7000110.7H599 L602 L607 V613L596-H599 HydrophobicContact CB-CB 4.21Å; L596-H599 HydrophobicContact CD2-CB 3.99Å; L596-H599 HydrophobicContact CG-CB 4.21Å; L596-H599 PolarHBondContact O-ND1 2.87Å; L596-L602 HydrophobicContact CD2-CD1 3.72Å; L596-L607 HydrophobicContact CD2-CD2 4.15Å; L596-V613 HydrophobicContact CD2-CG2 3.74Å
597Q80.3Confident87.7Confident173 Ų17374.2 Ų74.281%0.80838%0.384SS*.THydrogen-bonded Turntrans-69146.8172.7-62.1-173.314.300110.1H599Q597-H599 PolarHBondContact O-N 2.99Å
598N80.6Confident87.8Confident111 Ų11171.8 Ų71.859%0.59438%0.376SS*.THydrogen-bonded Turntrans58.513179.3-60.8-37.5000116.6K600 K601N598-K600 PolarHBondContact O-N 3.39Å; N598-K601 PolarHBondContact O-N 3.44Å
599H80.4Confident88.1Confident15 Ų1578 Ų787%0.06939%0.391CS..G310 helixtrans-54.1-26.7178.868.1-87000114R587 L590 S591 L596 Q597 K601 L602 L607R587-H599 PolarHBondContact NH1-O 2.92Å; L590-H599 HydrophobicContact CD1-CB 4.27Å; S591-H599 PolarHBondContact OG-CE1 3.47Å; S591-H599 PolarHBondContact OG-NE2 3.28Å; L596-H599 HydrophobicContact CB-CB 4.21Å; L596-H599 HydrophobicContact CD2-CB 3.99Å; L596-H599 HydrophobicContact CG-CB 4.21Å; L596-H599 PolarHBondContact O-ND1 2.87Å; Q597-H599 PolarHBondContact O-N 2.99Å; H599-K601 PolarHBondContact O-N 3.21Å; H599-L602 PolarHBondContact O-N 2.91Å; H599-L607 HydrophobicContact CB-CD2 4.19Å
600K81.2Confident88.3Confident164 Ų16478.3 Ų78.371%0.71339%0.39SS*.G310 helixtrans-65.8-21.1175.7-65.1-172.3177.9-178.40113.9N598N598-K600 PolarHBondContact O-N 3.39Å
601K86Confident88.4Confident174 Ų17486.4 Ų86.476%0.75743%0.427SS*.G310 helixtrans-91.2-13.8178.1-62.8-175.1179.4-178.60113N598 H599N598-K601 PolarHBondContact O-N 3.44Å; H599-K601 PolarHBondContact O-N 3.21Å
602L89.8Confident88.7Confident46 Ų4687.7 Ų87.724%0.24143%0.433CS..SBendtrans-83.2137179.8-60.3178.2000110.1R587 L596 H599 E606 L607R587-L602 PolarHBondContact NH1-O 3.42Å; R587-L602 PolarHBondContact NH2-O 2.92Å; L596-L602 HydrophobicContact CD2-CD1 3.72Å; H599-L602 PolarHBondContact O-N 2.91Å; L602-E606 HydrophobicContact CB-CB 4.04Å; L602-E606 HydrophobicContact CD2-CB 4.18Å; L602-L607 HydrophobicContact CB-CD2 4.01Å; L602-L607 HydrophobicContact CB-CG 4.08Å; L602-L607 HydrophobicContact CD1-CD2 3.87Å
603S93.5Very high89.2Confident54 Ų5481.3 Ų81.338%0.37840%0.399SS..  trans-63.6163.8165.363.40000111.5S605 E606 L607S603-S605 VanDerWaalsContact C-N 3.29Å; S603-S605 PolarHBondContact O-N 2.94Å; S603-E606 WeakPolarHBondContact CB-OE2 3.08Å; S603-E606 PolarHBondContact N-OE2 3.25Å; S603-E606 PolarHBondContact O-N 3.19Å; S603-E606 WeakPolarHBondContact OG-CB 3.43Å; S603-E606 VanDerWaalsContact OG-CD 3.29Å; S603-E606 VanDerWaalsContact OG-CG 3.22Å; S603-E606 WeakPolarHBondContact OG-CG 2.95Å; S603-E606 PolarHBondContact OG-N 3.35Å; S603-E606 PolarHBondContact OG-OE2 3.05Å; S603-L607 WeakPolarHBondContact O-CG 3.5Å; S603-L607 PolarHBondContact O-N 3.41Å
604D94.9Very high89.9Confident59 Ų5981.2 Ų81.232%0.31639%0.389SS..Hα-helixtrans-60.5-40.5177.9-71.7-12.6000111.5F583 R587 E606 L607 C608 D643F583-D604 HydrophobicContact CD1-CB 3.7Å; F583-D604 VanDerWaalsContact CD1-CG 3.4Å; F583-D604 WeakPolarHBondContact CD1-OD1 3.34Å; F583-D604 HydrophobicContact CD2-CB 4.32Å; F583-D604 HydrophobicContact CE1-CB 3.49Å; F583-D604 VanDerWaalsContact CE1-CB 3.49Å; F583-D604 HydrophobicContact CE2-CB 4.13Å; F583-D604 HydrophobicContact CG-CB 4.13Å; F583-D604 VanDerWaalsContact CG-CG 3.49Å; F583-D604 HydrophobicContact CZ-CB 3.73Å; R587-D604 IonicContact CZ-OD1 3.81Å; R587-D604 IonicContact NE-OD1 2.78Å; R587-D604 PolarHBondContact NE-OD1 3.37Å; R587-D604 IonicContact NH2-OD1 2.69Å; R587-D604 PolarHBondContact NH2-OD1 2.89Å; D604-E606 PolarHBondContact O-N 3.35Å; D604-L607 WeakPolarHBondContact O-CB 3.28Å; D604-L607 PolarHBondContact O-N 3.38Å; D604-C608 PolarHBondContact O-N 2.76Å; D604-C608 PolarHBondContact O-SG 2.6Å; D604-C608 VanDerWaalsContact O-SG 3.38Å; D604-D643 HydrophobicContact CB-CB 4.22Å
605S94.9Very high90.6Very high24 Ų2478.4 Ų78.417%0.16838%0.377CS..Hα-helixtrans-59.7-43173.8-147.90000113S603 C608 R609 D643S603-S605 VanDerWaalsContact C-N 3.29Å; S603-S605 PolarHBondContact O-N 2.94Å; S605-C608 PolarHBondContact O-N 3.12Å; S605-R609 WeakPolarHBondContact O-CG 3.41Å; S605-R609 PolarHBondContact O-N 3.17Å; S605-R609 PolarHBondContact OG-NH2 2.69Å; S605-R609 VanDerWaalsContact OG-NH2 3.15Å; S605-D643 VanDerWaalsContact CA-OD2 3.27Å; S605-D643 WeakPolarHBondContact CA-OD2 3.28Å; S605-D643 WeakPolarHBondContact CB-OD2 3.37Å; S605-D643 PolarHBondContact N-OD2 2.97Å; S605-D643 PolarHBondContact OG-OD2 3.48Å; S605-D643 VanDerWaalsContact OG-OD2 3.07Å
606E95Very high91.2Very high90 Ų9076.5 Ų76.542%0.42137%0.366SS..Hα-helixtrans-68.8-34.6177.7-73166.6129.400112.2L602 S603 D604 R609 N610L602-E606 HydrophobicContact CB-CB 4.04Å; L602-E606 HydrophobicContact CD2-CB 4.18Å; S603-E606 WeakPolarHBondContact CB-OE2 3.08Å; S603-E606 PolarHBondContact N-OE2 3.25Å; S603-E606 PolarHBondContact O-N 3.19Å; S603-E606 WeakPolarHBondContact OG-CB 3.43Å; S603-E606 VanDerWaalsContact OG-CD 3.29Å; S603-E606 VanDerWaalsContact OG-CG 3.22Å; S603-E606 WeakPolarHBondContact OG-CG 2.95Å; S603-E606 PolarHBondContact OG-N 3.35Å; S603-E606 PolarHBondContact OG-OE2 3.05Å; D604-E606 PolarHBondContact O-N 3.35Å; E606-R609 PolarHBondContact O-N 3.36Å; E606-N610 PolarHBondContact O-N 2.8Å
607L95.1Very high91.8Very high0 Ų075.1 Ų75.10%036%0.359CS..Hα-helixtrans-64.2-42.8172.6-71.3176.3000111.5R587 L590 L596 H599 L602 S603 D604 R609 N610 V613R587-L607 HydrophobicContact CG-CD1 4.08Å; R587-L607 VanDerWaalsContact CZ-CD1 3.43Å; L590-L607 HydrophobicContact CD1-CD2 4.06Å; L596-L607 HydrophobicContact CD2-CD2 4.15Å; H599-L607 HydrophobicContact CB-CD2 4.19Å; L602-L607 HydrophobicContact CB-CD2 4.01Å; L602-L607 HydrophobicContact CB-CG 4.08Å; L602-L607 HydrophobicContact CD1-CD2 3.87Å; S603-L607 WeakPolarHBondContact O-CG 3.5Å; S603-L607 PolarHBondContact O-N 3.41Å; D604-L607 WeakPolarHBondContact O-CB 3.28Å; D604-L607 PolarHBondContact O-N 3.38Å; L607-R609 VanDerWaalsContact C-N 3.27Å; L607-R609 PolarHBondContact O-N 3.05Å; L607-N610 WeakPolarHBondContact O-CB 3.34Å; L607-N610 PolarHBondContact O-N 2.95Å; L607-V613 HydrophobicContact CD2-CG2 4.25Å
608C96.3Very high92.6Very high10 Ų1068.3 Ų68.37%0.06833%0.328CS..Hα-helixtrans-62.3-32.7178-74.20000113D604 S605 N610 L641 T642D604-C608 PolarHBondContact O-N 2.76Å; D604-C608 PolarHBondContact O-SG 2.6Å; D604-C608 VanDerWaalsContact O-SG 3.38Å; S605-C608 PolarHBondContact O-N 3.12Å; C608-N610 VanDerWaalsContact C-N 3.35Å; C608-L641 HydrophobicContact CB-CB 3.87Å; C608-L641 WeakPolarHBondContact CB-O 3.4Å; C608-T642 VanDerWaalsContact SG-C 3.53Å
609R95Very high93.3Very high189 Ų18968.1 Ų68.171%0.71332%0.324SS*.THydrogen-bonded Turntrans-82.8-7177.6-66.5175.8-168.5140.48.3114.2S605 E606 L607S605-R609 WeakPolarHBondContact O-CG 3.41Å; S605-R609 PolarHBondContact O-N 3.17Å; S605-R609 PolarHBondContact OG-NH2 2.69Å; S605-R609 VanDerWaalsContact OG-NH2 3.15Å; E606-R609 PolarHBondContact O-N 3.36Å; L607-R609 VanDerWaalsContact C-N 3.27Å; L607-R609 PolarHBondContact O-N 3.05Å
610N94.7Very high94.1Very high39 Ų3972.3 Ų72.321%0.20934%0.342CS..  trans-83.7120.4-175.9-174.2-73.7000111.7E606 L607 C608 T612 V613 N614E606-N610 PolarHBondContact O-N 2.8Å; L607-N610 WeakPolarHBondContact O-CB 3.34Å; L607-N610 PolarHBondContact O-N 2.95Å; C608-N610 VanDerWaalsContact C-N 3.35Å; N610-T612 VanDerWaalsContact C-N 3.31Å; N610-T612 PolarHBondContact O-N 2.79Å; N610-T612 WeakPolarHBondContact OD1-CA 3.19Å; N610-T612 VanDerWaalsContact OD1-CB 3.23Å; N610-T612 WeakPolarHBondContact OD1-CB 3.11Å; N610-T612 PolarHBondContact OD1-N 3.4Å; N610-V613 HydrophobicContact CB-CB 4.09Å; N610-V613 HydrophobicContact CB-CG2 3.82Å; N610-V613 WeakPolarHBondContact O-CB 3.09Å; N610-V613 PolarHBondContact O-N 2.83Å; N610-V613 VanDerWaalsContact O-N 3.13Å; N610-V613 PolarHBondContact OD1-N 2.79Å; N610-V613 VanDerWaalsContact OD1-N 3.08Å; N610-N614 PolarHBondContact O-N 3.07Å
611E93.2Very high94.8Very high169 Ų16964.5 Ų64.579%0.7931%0.308SS*.Hα-helixtrans-61.3-34.7-178.5-65.4-179.3174.200113.7V613 N614 K615E611-V613 VanDerWaalsContact C-N 3.35Å; E611-N614 PolarHBondContact O-N 3.25Å; E611-K615 WeakPolarHBondContact O-CB 3.37Å; E611-K615 PolarHBondContact O-N 2.78Å
612T94.2Very high95.3Very high70 Ų7057.7 Ų57.743%0.42928%0.279SS..Hα-helixtrans-67.3-39.7177.2-55.80000110.7I595 N610 F616I595-T612 HydrophobicContact CG2-CG2 3.94Å; N610-T612 VanDerWaalsContact C-N 3.31Å; N610-T612 PolarHBondContact O-N 2.79Å; N610-T612 WeakPolarHBondContact OD1-CA 3.19Å; N610-T612 VanDerWaalsContact OD1-CB 3.23Å; N610-T612 WeakPolarHBondContact OD1-CB 3.11Å; N610-T612 PolarHBondContact OD1-N 3.4Å; T612-F616 VanDerWaalsContact O-CB 3.3Å; T612-F616 WeakPolarHBondContact O-CB 3.42Å; T612-F616 PolarHBondContact O-N 3.37Å
613V96Very high95.5Very high0 Ų058.2 Ų58.20%029%0.29CS..Hα-helixtrans-66.5-44.7174.4179.50000110.4L586 L590 L596 L607 N610 E611 K615 F616 V617 L641L586-V613 HydrophobicContact CD1-CG1 4.12Å; L586-V613 HydrophobicContact CD2-CG1 4.03Å; L590-V613 HydrophobicContact CD1-CG2 4.06Å; L590-V613 HydrophobicContact CD2-CG2 4.27Å; L596-V613 HydrophobicContact CD2-CG2 3.74Å; L607-V613 HydrophobicContact CD2-CG2 4.25Å; N610-V613 HydrophobicContact CB-CB 4.09Å; N610-V613 HydrophobicContact CB-CG2 3.82Å; N610-V613 WeakPolarHBondContact O-CB 3.09Å; N610-V613 PolarHBondContact O-N 2.83Å; N610-V613 VanDerWaalsContact O-N 3.13Å; N610-V613 PolarHBondContact OD1-N 2.79Å; N610-V613 VanDerWaalsContact OD1-N 3.08Å; E611-V613 VanDerWaalsContact C-N 3.35Å; V613-K615 PolarHBondContact O-N 2.77Å; V613-F616 PolarHBondContact O-N 3.33Å; V613-V617 HydrophobicContact CG1-CG2 4.32Å; V613-V617 WeakPolarHBondContact O-CG2 3.44Å; V613-V617 PolarHBondContact O-N 2.99Å; V613-L641 HydrophobicContact CG1-CD1 3.88Å
614N96.5Very high95.3Very high40 Ų4056.5 Ų56.521%0.21428%0.278CS..Hα-helixtrans-56-52.4177.1-171.6-65.7000111.5N610 E611 F616 V617 L618 I639 L641N610-N614 PolarHBondContact O-N 3.07Å; E611-N614 PolarHBondContact O-N 3.25Å; N614-F616 PolarHBondContact O-N 3.14Å; N614-V617 PolarHBondContact O-N 2.96Å; N614-L618 WeakPolarHBondContact O-CB 3.35Å; N614-L618 PolarHBondContact O-N 2.87Å; N614-I639 PolarHBondContact ND2-O 3.15Å; N614-I639 WeakPolarHBondContact OD1-CG1 2.97Å; N614-L641 HydrophobicContact CB-CD1 4.46Å
615K95.6Very high95.1Very high133 Ų13353.7 Ų53.758%0.57826%0.263SS*.Hα-helixtrans-59-45177-175.2176178.8176.50112.1E611 V613 V617 L618 E619E611-K615 WeakPolarHBondContact O-CB 3.37Å; E611-K615 PolarHBondContact O-N 2.78Å; V613-K615 PolarHBondContact O-N 2.77Å; K615-V617 PolarHBondContact O-N 3.29Å; K615-L618 PolarHBondContact O-N 2.95Å; K615-E619 WeakPolarHBondContact CE-OE1 3.45Å; K615-E619 WeakPolarHBondContact O-CB 3.45Å; K615-E619 WeakPolarHBondContact O-CG 3.46Å; K615-E619 PolarHBondContact O-N 3.02Å
616F96.4Very high94.9Very high18 Ų1856 Ų568%0.07928%0.276CS..Hα-helixtrans-59.7-45.7177.7172-104.3000112.4L560 L586 L590 I595 T612 V613 N614 E619 K620L560-F616 HydrophobicContact CD1-CD1 4.27Å; L560-F616 HydrophobicContact CD1-CE1 3.7Å; L560-F616 HydrophobicContact CD1-CZ 4.4Å; L586-F616 HydrophobicContact CD1-CD1 4.4Å; L586-F616 HydrophobicContact CD1-CE1 4.41Å; L590-F616 HydrophobicContact CD2-CD1 3.9Å; L590-F616 HydrophobicContact CD2-CE1 4.19Å; L590-F616 HydrophobicContact CD2-CG 4.44Å; I595-F616 HydrophobicContact CD1-CD2 3.88Å; I595-F616 HydrophobicContact CD1-CE2 3.97Å; I595-F616 HydrophobicContact CG1-CD2 3.79Å; I595-F616 HydrophobicContact CG1-CE2 3.77Å; I595-F616 HydrophobicContact CG1-CG 4.38Å; I595-F616 HydrophobicContact CG1-CZ 4.36Å; I595-F616 HydrophobicContact CG2-CB 3.99Å; I595-F616 HydrophobicContact CG2-CD2 4.11Å; I595-F616 HydrophobicContact CG2-CG 4.04Å; T612-F616 VanDerWaalsContact O-CB 3.3Å; T612-F616 WeakPolarHBondContact O-CB 3.42Å; T612-F616 PolarHBondContact O-N 3.37Å; V613-F616 PolarHBondContact O-N 3.33Å; N614-F616 PolarHBondContact O-N 3.14Å; F616-E619 PolarHBondContact O-N 2.84Å; F616-K620 HydrophobicContact CD2-CG 4.49Å; F616-K620 HydrophobicContact CE1-CG 4.36Å; F616-K620 HydrophobicContact CE2-CD 4.4Å; F616-K620 HydrophobicContact CE2-CG 4.1Å; F616-K620 HydrophobicContact CZ-CD 4.49Å; F616-K620 HydrophobicContact CZ-CG 4.02Å; F616-K620 WeakPolarHBondContact O-CG 3.3Å; F616-K620 PolarHBondContact O-N 3.3Å; F616-K620 VanDerWaalsContact O-N 3.1Å
617V97.4Very high94.6Very high0 Ų058.7 Ų58.70%029%0.289CS..Hα-helixtrans-64-46.4178174.90000110.2L560 L586 V613 N614 K615 E619 K620 M621 I639 L641L560-V617 HydrophobicContact CD1-CG2 4.28Å; L586-V617 HydrophobicContact CD1-CG2 3.79Å; V613-V617 HydrophobicContact CG1-CG2 4.32Å; V613-V617 WeakPolarHBondContact O-CG2 3.44Å; V613-V617 PolarHBondContact O-N 2.99Å; N614-V617 PolarHBondContact O-N 2.96Å; K615-V617 PolarHBondContact O-N 3.29Å; V617-E619 PolarHBondContact O-N 3.18Å; V617-K620 PolarHBondContact O-N 3Å; V617-M621 HydrophobicContact CG1-CG 4.29Å; V617-M621 HydrophobicContact CG1-SD 3.93Å; V617-M621 WeakPolarHBondContact O-CB 3.48Å; V617-M621 VanDerWaalsContact O-CG 3.27Å; V617-M621 WeakPolarHBondContact O-CG 3.43Å; V617-M621 PolarHBondContact O-N 3.47Å; V617-I639 HydrophobicContact CB-CD1 3.95Å; V617-I639 HydrophobicContact CG1-CD1 3.75Å; V617-L641 HydrophobicContact CB-CD1 4.48Å; V617-L641 HydrophobicContact CB-CD2 4.28Å; V617-L641 HydrophobicContact CG1-CD2 3.97Å; V617-L641 HydrophobicContact CG2-CD1 4.11Å; V617-L641 HydrophobicContact CG2-CD2 4.49Å
618L97.4Very high94Very high29 Ų2962.6 Ų62.615%0.15231%0.305CS..Hα-helixtrans-58.7-43.2177.4178.258.5000112.5N614 K615 K620 M621 N622 V636 Q637 I639N614-L618 WeakPolarHBondContact O-CB 3.35Å; N614-L618 PolarHBondContact O-N 2.87Å; K615-L618 PolarHBondContact O-N 2.95Å; L618-K620 PolarHBondContact O-N 3.37Å; L618-M621 WeakPolarHBondContact O-CB 3.18Å; L618-M621 PolarHBondContact O-N 3.33Å; L618-N622 WeakPolarHBondContact CD1-ND2 3.39Å; L618-N622 WeakPolarHBondContact O-CB 3.48Å; L618-N622 PolarHBondContact O-N 3.2Å; L618-V636 HydrophobicContact CD1-CG2 3.98Å; L618-Q637 WeakPolarHBondContact CD2-O 3.35Å; L618-I639 HydrophobicContact CB-CD1 3.84Å; L618-I639 HydrophobicContact CB-CG1 4.2Å; L618-I639 HydrophobicContact CD1-CG2 4.07Å
619E96.6Very high93.3Very high108 Ų10869.4 Ų69.451%0.50534%0.34SS..Hα-helixtrans-61.7-43.1176.2-76.2174.7-175.300111.9K615 F616 V617 N622 A623K615-E619 WeakPolarHBondContact CE-OE1 3.45Å; K615-E619 WeakPolarHBondContact O-CB 3.45Å; K615-E619 WeakPolarHBondContact O-CG 3.46Å; K615-E619 PolarHBondContact O-N 3.02Å; F616-E619 PolarHBondContact O-N 2.84Å; V617-E619 PolarHBondContact O-N 3.18Å; E619-N622 PolarHBondContact O-N 3.01Å; E619-A623 WeakPolarHBondContact O-CB 3.38Å; E619-A623 PolarHBondContact O-N 2.92Å
620K95.4Very high92.6Very high102 Ų10260.9 Ų60.944%0.44331%0.309SS..Hα-helixtrans-67-39.2176.7-67.7-61.5-178.9-169.80112.2L560 F616 V617 L618 V624L560-K620 HydrophobicContact CD1-CB 3.89Å; L560-K620 HydrophobicContact CD1-CG 3.88Å; F616-K620 HydrophobicContact CD2-CG 4.49Å; F616-K620 HydrophobicContact CE1-CG 4.36Å; F616-K620 HydrophobicContact CE2-CD 4.4Å; F616-K620 HydrophobicContact CE2-CG 4.1Å; F616-K620 HydrophobicContact CZ-CD 4.49Å; F616-K620 HydrophobicContact CZ-CG 4.02Å; F616-K620 WeakPolarHBondContact O-CG 3.3Å; F616-K620 PolarHBondContact O-N 3.3Å; F616-K620 VanDerWaalsContact O-N 3.1Å; V617-K620 PolarHBondContact O-N 3Å; L618-K620 PolarHBondContact O-N 3.37Å; K620-V624 PolarHBondContact O-N 2.9Å
621M97.3Very high91.8Very high0 Ų064.7 Ų64.70%032%0.324CS..Hα-helixtrans-58.5-52.1171.7-73.8179.265.300110.5Y555 I561 I564 V579 V617 L618 A623 V624 A625 V636 I639Y555-M621 HydrophobicContact CD1-CB 3.78Å; Y555-M621 HydrophobicContact CD1-CE 3.79Å; Y555-M621 HydrophobicContact CD1-CG 4.2Å; Y555-M621 HydrophobicContact CD2-CE 4.3Å; Y555-M621 HydrophobicContact CE1-CB 3.65Å; Y555-M621 HydrophobicContact CE1-CE 4.04Å; Y555-M621 VanDerWaalsContact CE1-O 3.3Å; Y555-M621 WeakPolarHBondContact CE1-O 3.38Å; Y555-M621 HydrophobicContact CG-CE 3.94Å; I561-M621 HydrophobicContact CD1-CE 3.93Å; I561-M621 HydrophobicContact CD1-CG 3.83Å; I561-M621 HydrophobicContact CD1-SD 3.97Å; I561-M621 HydrophobicContact CG1-CG 4.46Å; I564-M621 HydrophobicContact CD1-CE 3.61Å; V579-M621 HydrophobicContact CG2-CE 4.02Å; V579-M621 HydrophobicContact CG2-SD 3.96Å; V617-M621 HydrophobicContact CG1-CG 4.29Å; V617-M621 HydrophobicContact CG1-SD 3.93Å; V617-M621 WeakPolarHBondContact O-CB 3.48Å; V617-M621 VanDerWaalsContact O-CG 3.27Å; V617-M621 WeakPolarHBondContact O-CG 3.43Å; V617-M621 PolarHBondContact O-N 3.47Å; L618-M621 WeakPolarHBondContact O-CB 3.18Å; L618-M621 PolarHBondContact O-N 3.33Å; M621-A623 VanDerWaalsContact C-N 3.31Å; M621-A623 PolarHBondContact O-N 3.3Å; M621-V624 WeakPolarHBondContact O-CB 3.35Å; M621-V624 PolarHBondContact O-N 3.38Å; M621-V624 VanDerWaalsContact O-N 3.08Å; M621-A625 PolarHBondContact O-N 3.05Å; M621-V636 HydrophobicContact CE-CG2 3.75Å; M621-I639 HydrophobicContact CE-CG2 4.17Å; M621-I639 HydrophobicContact SD-CD1 4.04Å; M621-I639 HydrophobicContact SD-CG2 4.11Å
622N95.9Very high91.3Very high31 Ų3159.1 Ų59.117%0.16631%0.312CS..Hα-helixtrans-69.9-25.9-176.7-78.1-19000113.6Y555 L618 E619 T626 V636Y555-N622 PolarHBondContact OH-OD1 3.45Å; Y555-N622 VanDerWaalsContact OH-OD1 3.12Å; L618-N622 WeakPolarHBondContact CD1-ND2 3.39Å; L618-N622 WeakPolarHBondContact O-CB 3.48Å; L618-N622 PolarHBondContact O-N 3.2Å; E619-N622 PolarHBondContact O-N 3.01Å; N622-T626 WeakPolarHBondContact O-CB 3.41Å; N622-T626 PolarHBondContact O-N 3.23Å; N622-T626 PolarHBondContact O-OG1 3.43Å; N622-V636 PolarHBondContact ND2-O 3.28Å; N622-V636 VanDerWaalsContact ND2-O 3.12Å; N622-V636 PolarHBondContact OD1-O 3.44Å
623A93.9Very high90.7Very high57 Ų5757.7 Ų57.747%0.47130%0.299SS..Hα-helixtrans-62.8-45.8167.400000111.6E619 M621 T626 Q627E619-A623 WeakPolarHBondContact O-CB 3.38Å; E619-A623 PolarHBondContact O-N 2.92Å; M621-A623 VanDerWaalsContact C-N 3.31Å; M621-A623 PolarHBondContact O-N 3.3Å; A623-T626 PolarHBondContact O-N 3.49Å; A623-Q627 WeakPolarHBondContact O-CB 3.46Å; A623-Q627 PolarHBondContact O-N 3.33Å
624V90.2Very high90.2Very high18 Ų1858.2 Ų58.211%0.10930%0.302CS..Hα-helixtrans-63.3-46.1174.8171.70000111V554 C558 K620 M621 T626 Q627 K628V554-V624 WeakPolarHBondContact O-CG1 3.31Å; C558-V624 HydrophobicContact CB-CG2 4.01Å; K620-V624 PolarHBondContact O-N 2.9Å; M621-V624 WeakPolarHBondContact O-CB 3.35Å; M621-V624 PolarHBondContact O-N 3.38Å; M621-V624 VanDerWaalsContact O-N 3.08Å; V624-T626 VanDerWaalsContact C-N 3.29Å; V624-T626 PolarHBondContact O-N 3.04Å; V624-Q627 WeakPolarHBondContact O-CB 3.26Å; V624-Q627 PolarHBondContact O-N 3.48Å; V624-K628 HydrophobicContact CG1-CG 4.18Å; V624-K628 WeakPolarHBondContact O-CB 3.37Å; V624-K628 VanDerWaalsContact O-CG 3.26Å; V624-K628 WeakPolarHBondContact O-CG 3.46Å; V624-K628 PolarHBondContact O-N 3Å
625A89.7Confident90.1Very high0 Ų058.5 Ų58.50%030%0.301CS..Hα-helixtrans-55.6-44.417700000112.1Y555 M621 K628 L629 L630 K635Y555-A625 HydrophobicContact CE1-CB 3.79Å; M621-A625 PolarHBondContact O-N 3.05Å; A625-K628 CarbonylContact O-C 3.5Å; A625-K628 PolarHBondContact O-N 2.87Å; A625-L629 PolarHBondContact O-N 3.49Å; A625-L629 VanDerWaalsContact O-N 3.13Å; A625-L630 HydrophobicContact CB-CB 4.16Å; A625-L630 HydrophobicContact CB-CD1 3.77Å; A625-L630 HydrophobicContact CB-CG 4.31Å; A625-L630 PolarHBondContact O-N 2.9Å; A625-K635 HydrophobicContact CB-CD 4.37Å; A625-K635 HydrophobicContact CB-CG 4.04Å
626T92.1Very high90.1Very high74 Ų7452.1 Ų52.145%0.45427%0.274SS..Hα-helixtrans-65.8-45.2177.2-53.70000111.5N622 A623 V624 K628 L629 K635N622-T626 WeakPolarHBondContact O-CB 3.41Å; N622-T626 PolarHBondContact O-N 3.23Å; N622-T626 PolarHBondContact O-OG1 3.43Å; A623-T626 PolarHBondContact O-N 3.49Å; V624-T626 VanDerWaalsContact C-N 3.29Å; V624-T626 PolarHBondContact O-N 3.04Å; T626-K628 PolarHBondContact O-N 3Å; T626-L629 PolarHBondContact O-N 3.26Å; T626-L629 VanDerWaalsContact O-N 3.09Å; T626-K635 PolarHBondContact OG1-NZ 2.94Å
627Q87.8Confident90Very high146 Ų14654.6 Ų54.668%0.68229%0.285SS*.Hα-helixtrans-60-33.7176.6-173.5-172.913.400112.3A623 V624 L629A623-Q627 WeakPolarHBondContact O-CB 3.46Å; A623-Q627 PolarHBondContact O-N 3.33Å; V624-Q627 WeakPolarHBondContact O-CB 3.26Å; V624-Q627 PolarHBondContact O-N 3.48Å; Q627-L629 VanDerWaalsContact C-N 3.32Å
628K82.7Confident90Very high81 Ų8155.1 Ų55.135%0.35229%0.29SS..THydrogen-bonded Turntrans-92.69.4-179.7-61.1-69.6-174.1168.30113.1V554 V624 A625 T626 L630V554-K628 HydrophobicContact CG1-CB 3.56Å; V554-K628 HydrophobicContact CG1-CG 3.9Å; V554-K628 HydrophobicContact CG2-CB 4.33Å; V624-K628 HydrophobicContact CG1-CG 4.18Å; V624-K628 WeakPolarHBondContact O-CB 3.37Å; V624-K628 VanDerWaalsContact O-CG 3.26Å; V624-K628 WeakPolarHBondContact O-CG 3.46Å; V624-K628 PolarHBondContact O-N 3Å; A625-K628 CarbonylContact O-C 3.5Å; A625-K628 PolarHBondContact O-N 2.87Å; T626-K628 PolarHBondContact O-N 3Å; K628-L630 VanDerWaalsContact C-N 3.33Å; K628-L630 PolarHBondContact O-N 3.34Å
629L81.2Confident90Very high153 Ų15353.9 Ų53.980%0.80128%0.284SS*.THydrogen-bonded Turntrans61.334.1174.5-52.4174.3000114.2A625 T626 Q627A625-L629 PolarHBondContact O-N 3.49Å; A625-L629 VanDerWaalsContact O-N 3.13Å; T626-L629 PolarHBondContact O-N 3.26Å; T626-L629 VanDerWaalsContact O-N 3.09Å; Q627-L629 VanDerWaalsContact C-N 3.32Å
630L81.1Confident90.1Very high11 Ų1153 Ų536%0.05828%0.276CS..  trans-64.6135.2165.3-70.4-174.6000110I551 V554 Y555 A625 K628 E634 K635I551-L630 HydrophobicContact CG1-CD2 4.43Å; I551-L630 HydrophobicContact CG2-CD1 3.85Å; V554-L630 HydrophobicContact CB-CD1 4.01Å; V554-L630 HydrophobicContact CB-CD2 4.44Å; V554-L630 HydrophobicContact CB-CG 4.34Å; V554-L630 HydrophobicContact CG1-CD1 3.6Å; V554-L630 HydrophobicContact CG1-CD2 4.46Å; V554-L630 HydrophobicContact CG1-CG 3.86Å; V554-L630 HydrophobicContact CG2-CD2 4.07Å; V554-L630 HydrophobicContact CG2-CG 4.37Å; Y555-L630 HydrophobicContact CE2-CD1 4.43Å; A625-L630 HydrophobicContact CB-CB 4.16Å; A625-L630 HydrophobicContact CB-CD1 3.77Å; A625-L630 HydrophobicContact CB-CG 4.31Å; A625-L630 PolarHBondContact O-N 2.9Å; K628-L630 VanDerWaalsContact C-N 3.33Å; K628-L630 PolarHBondContact O-N 3.34Å; L630-E634 HydrophobicContact CB-CB 4.11Å; L630-E634 HydrophobicContact CD2-CB 4.26Å; L630-K635 HydrophobicContact CB-CG 4.46Å
631K77.5Confident90.2Very high119 Ų11948.2 Ų48.252%0.51726%0.255SS..  trans-64.6157.9174.6-63179.6178.1-177.20109.9F633 E634 K635K631-F633 VanDerWaalsContact C-N 3.27Å; K631-F633 HydrophobicContact CB-CD1 3.99Å; K631-F633 HydrophobicContact CB-CE1 3.76Å; K631-F633 HydrophobicContact CB-CG 4.5Å; K631-F633 HydrophobicContact CB-CZ 4.05Å; K631-F633 HydrophobicContact CD-CD1 4.38Å; K631-F633 HydrophobicContact CD-CE1 3.36Å; K631-F633 HydrophobicContact CD-CE2 4.3Å; K631-F633 HydrophobicContact CD-CZ 3.31Å; K631-F633 HydrophobicContact CG-CE1 4.22Å; K631-F633 HydrophobicContact CG-CZ 4.33Å; K631-F633 PolarHBondContact O-N 3.41Å; K631-E634 HydrophobicContact CB-CG 4.15Å; K631-E634 PolarHBondContact N-OE2 2.85Å; K631-E634 WeakPolarHBondContact O-CB 3.46Å; K631-E634 PolarHBondContact O-N 3.15Å; K631-K635 PolarHBondContact O-N 3.45Å
632G83.1Confident90.2Very high52 Ų5248.5 Ų48.554%0.53626%0.257SS..G310 helixtrans-53.8-42.9-177.700000113.4E634 K635G632-E634 VanDerWaalsContact C-N 3.27Å; G632-E634 PolarHBondContact O-N 3.49Å; G632-K635 PolarHBondContact O-N 3.5Å
633F80.3Confident90.2Very high39 Ų3950.5 Ų50.517%0.17127%0.268CS..G310 helixtrans-72.3-15.2177.964.4-103.2000114.3L540 Q542 E544 I546 P575 K631L540-F633 HydrophobicContact CD1-CB 4.2Å; L540-F633 HydrophobicContact CD1-CD2 4.5Å; Q542-F633 VanDerWaalsContact NE2-CB 3.31Å; E544-F633 HydrophobicContact CB-CD1 4.49Å; E544-F633 HydrophobicContact CB-CD2 3.84Å; E544-F633 HydrophobicContact CB-CE1 4.4Å; E544-F633 HydrophobicContact CB-CE2 3.8Å; E544-F633 HydrophobicContact CB-CG 4.2Å; E544-F633 HydrophobicContact CB-CZ 4.07Å; E544-F633 HydrophobicContact CG-CD1 3.96Å; E544-F633 HydrophobicContact CG-CD2 4.21Å; E544-F633 HydrophobicContact CG-CE1 3.79Å; E544-F633 HydrophobicContact CG-CE2 4.1Å; E544-F633 HydrophobicContact CG-CG 4.15Å; E544-F633 HydrophobicContact CG-CZ 3.86Å; E544-F633 WeakPolarHBondContact OE2-CZ 3.35Å; I546-F633 HydrophobicContact CD1-CD2 3.62Å; I546-F633 HydrophobicContact CD1-CE2 4.01Å; P575-F633 WeakPolarHBondContact CD-O 3.48Å; K631-F633 VanDerWaalsContact C-N 3.27Å; K631-F633 HydrophobicContact CB-CD1 3.99Å; K631-F633 HydrophobicContact CB-CE1 3.76Å; K631-F633 HydrophobicContact CB-CG 4.5Å; K631-F633 HydrophobicContact CB-CZ 4.05Å; K631-F633 HydrophobicContact CD-CD1 4.38Å; K631-F633 HydrophobicContact CD-CE1 3.36Å; K631-F633 HydrophobicContact CD-CE2 4.3Å; K631-F633 HydrophobicContact CD-CZ 3.31Å; K631-F633 HydrophobicContact CG-CE1 4.22Å; K631-F633 HydrophobicContact CG-CZ 4.33Å; K631-F633 PolarHBondContact O-N 3.41Å
634E86.3Confident90.3Very high12 Ų1250.7 Ų50.76%0.05626%0.259CS..G310 helixtrans-86-12.8174.6-63.9179.3125.200112.1I546 K550 I551 L630 K631 G632I546-E634 HydrophobicContact CD1-CB 4.37Å; I546-E634 HydrophobicContact CD1-CG 3.9Å; K550-E634 IonicContact NZ-OE1 3.62Å; K550-E634 PolarHBondContact NZ-OE1 2.81Å; K550-E634 IonicContact NZ-OE2 3.14Å; I551-E634 HydrophobicContact CD1-CB 3.78Å; I551-E634 HydrophobicContact CD1-CG 4.15Å; I551-E634 HydrophobicContact CG1-CB 4.22Å; I551-E634 WeakPolarHBondContact CG2-O 3.38Å; L630-E634 HydrophobicContact CB-CB 4.11Å; L630-E634 HydrophobicContact CD2-CB 4.26Å; K631-E634 HydrophobicContact CB-CG 4.15Å; K631-E634 PolarHBondContact N-OE2 2.85Å; K631-E634 WeakPolarHBondContact O-CB 3.46Å; K631-E634 PolarHBondContact O-N 3.15Å; G632-E634 VanDerWaalsContact C-N 3.27Å; G632-E634 PolarHBondContact O-N 3.49Å
635K94.2Very high90.5Very high45 Ų4551.9 Ų51.920%0.19627%0.271CS..SBendtrans-80.1133.3-179.7-61.5-174.8-170.3176.40110.4Y555 P575 A625 T626 L630 K631 G632Y555-K635 WeakPolarHBondContact OH-CA 3.46Å; P575-K635 WeakPolarHBondContact CD-O 3.48Å; A625-K635 HydrophobicContact CB-CD 4.37Å; A625-K635 HydrophobicContact CB-CG 4.04Å; T626-K635 PolarHBondContact OG1-NZ 2.94Å; L630-K635 HydrophobicContact CB-CG 4.46Å; K631-K635 PolarHBondContact O-N 3.45Å; G632-K635 PolarHBondContact O-N 3.5Å
636V96Very high90.6Very high0 Ų052.2 Ų52.20%027%0.272CS..  trans-65134.9170.6-63.70000110.3Y555 I566 P575 A577 L618 M621 N622 I639Y555-V636 HydrophobicContact CE1-CG2 4.28Å; Y555-V636 HydrophobicContact CE2-CB 4.5Å; Y555-V636 HydrophobicContact CE2-CG1 3.91Å; Y555-V636 HydrophobicContact CE2-CG2 3.98Å; Y555-V636 WeakPolarHBondContact OH-CG2 3.24Å; Y555-V636 PolarHBondContact OH-N 3.36Å; I566-V636 HydrophobicContact CD1-CG1 4.29Å; I566-V636 HydrophobicContact CG1-CG1 4.31Å; I566-V636 HydrophobicContact CG2-CG1 4.48Å; P575-V636 HydrophobicContact CB-CG1 4.42Å; P575-V636 HydrophobicContact CG-CG1 4.24Å; P575-V636 WeakPolarHBondContact O-CA 3.35Å; A577-V636 HydrophobicContact CB-CG1 3.95Å; L618-V636 HydrophobicContact CD1-CG2 3.98Å; M621-V636 HydrophobicContact CE-CG2 3.75Å; N622-V636 PolarHBondContact ND2-O 3.28Å; N622-V636 VanDerWaalsContact ND2-O 3.12Å; N622-V636 PolarHBondContact OD1-O 3.44Å; V636-I639 HydrophobicContact CG2-CG2 4.02Å
637Q94.1Very high90.5Very high69 Ų6951.1 Ų51.132%0.32227%0.265SS..SBendtrans-103.8-18.9-179.5-65.9-66.6-11.800113.2Y574 P575 L618 H679Y574-Q637 HydrophobicContact CD1-CB 4.33Å; Y574-Q637 HydrophobicContact CD1-CG 4.02Å; Y574-Q637 HydrophobicContact CD2-CB 3.51Å; Y574-Q637 HydrophobicContact CD2-CG 3.82Å; Y574-Q637 HydrophobicContact CE2-CB 3.99Å; Y574-Q637 HydrophobicContact CG-CB 3.71Å; Y574-Q637 HydrophobicContact CG-CG 3.46Å; Y574-Q637 VanDerWaalsContact CG-CG 3.46Å; P575-Q637 PolarHBondContact O-N 3.11Å; P575-Q637 VanDerWaalsContact O-N 3.12Å; L618-Q637 WeakPolarHBondContact CD2-O 3.35Å; Q637-H679 PolarHBondContact O-CE1 3.42Å; Q637-H679 PolarHBondContact O-ND1 3.3Å; Q637-H679 VanDerWaalsContact O-ND1 3.16Å
638A96.2Very high90Very high12 Ų1247 Ų4710%0.09925%0.25CS..EExtended strand (participates in β ladder)trans-143.9146.3174.900000110.3V576 A577 L675 H679V576-A638 WeakPolarHBondContact CA-O 3.21Å; V576-A638 HydrophobicContact CG1-CB 4.05Å; A577-A638 PolarHBondContact N-O 2.76Å; A577-A638 VanDerWaalsContact N-O 3.08Å; A638-L675 HydrophobicContact CB-CB 4.2Å; A638-L675 HydrophobicContact CB-CD2 4.24Å; A638-H679 HydrophobicContact CB-CB 4.14Å
639I97.9Very high90Very high3 Ų350.8 Ų50.82%0.01527%0.274CS..EExtended strand (participates in β ladder)trans-132.1147.217863.3177000111.7A577 V579 N614 V617 L618 M621 V636 L641 L675A577-I639 HydrophobicContact CB-CG2 4.16Å; A577-I639 CarbonylContact O-C 3.52Å; A577-I639 WeakPolarHBondContact O-CA 3.42Å; V579-I639 HydrophobicContact CG2-CB 4.27Å; V579-I639 HydrophobicContact CG2-CG2 4.21Å; N614-I639 PolarHBondContact ND2-O 3.15Å; N614-I639 WeakPolarHBondContact OD1-CG1 2.97Å; V617-I639 HydrophobicContact CB-CD1 3.95Å; V617-I639 HydrophobicContact CG1-CD1 3.75Å; L618-I639 HydrophobicContact CB-CD1 3.84Å; L618-I639 HydrophobicContact CB-CG1 4.2Å; L618-I639 HydrophobicContact CD1-CG2 4.07Å; M621-I639 HydrophobicContact CE-CG2 4.17Å; M621-I639 HydrophobicContact SD-CD1 4.04Å; M621-I639 HydrophobicContact SD-CG2 4.11Å; V636-I639 HydrophobicContact CG2-CG2 4.02Å; I639-L641 HydrophobicContact CD1-CD2 3.74Å; I639-L641 HydrophobicContact CD1-CG 4.5Å; I639-L641 HydrophobicContact CG1-CD2 4.34Å; I639-L675 VanDerWaalsContact C-CD2 3.46Å; I639-L675 WeakPolarHBondContact O-CD2 3.16Å
640Y98.1Very high90.4Very high90 Ų9045.8 Ų45.835%0.35325%0.249SC..EExtended strand (participates in β ladder)trans-107.2121.6164.3176.4-108.4000108.7A577 V578 V579 F668 T671A577-Y640 PolarHBondContact O-N 2.8Å; V578-Y640 WeakPolarHBondContact CA-O 3.45Å; V578-Y640 HydrophobicContact CG1-CD1 4.07Å; V578-Y640 HydrophobicContact CG2-CD1 4.44Å; V579-Y640 PolarHBondContact N-O 3.03Å; Y640-F668 HydrophobicContact CE1-CE1 4.49Å; Y640-T671 HydrophobicContact CD1-CG2 3.48Å; Y640-T671 VanDerWaalsContact CD1-CG2 3.48Å; Y640-T671 HydrophobicContact CD2-CG2 3.58Å; Y640-T671 HydrophobicContact CE1-CG2 4Å; Y640-T671 HydrophobicContact CE2-CG2 4.11Å; Y640-T671 HydrophobicContact CG-CG2 3.24Å
641L98.3Very high90.5Very high1 Ų146 Ų461%0.00525%0.254CS..EExtended strand (participates in β ladder)trans-87.2135.1172.6-56.9-174.2000109.1V579 P581 C608 V613 N614 V617 I639V579-L641 HydrophobicContact CB-CD2 3.9Å; V579-L641 HydrophobicContact CG1-CD2 4.13Å; V579-L641 WeakPolarHBondContact O-CA 3.36Å; P581-L641 HydrophobicContact CG-CB 4.43Å; P581-L641 HydrophobicContact CG-CD2 4.3Å; C608-L641 HydrophobicContact CB-CB 3.87Å; C608-L641 WeakPolarHBondContact CB-O 3.4Å; V613-L641 HydrophobicContact CG1-CD1 3.88Å; N614-L641 HydrophobicContact CB-CD1 4.46Å; V617-L641 HydrophobicContact CB-CD1 4.48Å; V617-L641 HydrophobicContact CB-CD2 4.28Å; V617-L641 HydrophobicContact CG1-CD2 3.97Å; V617-L641 HydrophobicContact CG2-CD1 4.11Å; V617-L641 HydrophobicContact CG2-CD2 4.49Å; I639-L641 HydrophobicContact CD1-CD2 3.74Å; I639-L641 HydrophobicContact CD1-CG 4.5Å; I639-L641 HydrophobicContact CG1-CD2 4.34Å
642T97.5Very high91Very high5 Ų540.4 Ų40.43%0.03123%0.229CC..  trans-134.1142177.4-170.70000111.1V578 V579 V580 P581 C608 E644V578-T642 HydrophobicContact CG1-CG2 3.9Å; V579-T642 PolarHBondContact O-N 3.02Å; V580-T642 HydrophobicContact CG2-CG2 3.82Å; P581-T642 WeakPolarHBondContact CD-O 3.21Å; C608-T642 VanDerWaalsContact SG-C 3.53Å; T642-E644 VanDerWaalsContact C-N 3.34Å; T642-E644 WeakPolarHBondContact CG2-O 3.47Å; T642-E644 PolarHBondContact OG1-N 3.37Å
643D95.7Very high91Very high73 Ų7338.8 Ų38.839%0.3921%0.208SC..SBendtrans-85.4-1016956.7-18000112.6F583 D604 S605 A645F583-D643 HydrophobicContact CE2-CB 4.23Å; F583-D643 HydrophobicContact CZ-CB 3.81Å; D604-D643 HydrophobicContact CB-CB 4.22Å; S605-D643 VanDerWaalsContact CA-OD2 3.27Å; S605-D643 WeakPolarHBondContact CA-OD2 3.28Å; S605-D643 WeakPolarHBondContact CB-OD2 3.37Å; S605-D643 PolarHBondContact N-OD2 2.97Å; S605-D643 PolarHBondContact OG-OD2 3.48Å; S605-D643 VanDerWaalsContact OG-OD2 3.07Å; D643-A645 PolarHBondContact O-N 3.09Å
644E95.4Very high90.7Very high61 Ų6137.5 Ų37.529%0.28520%0.203SC..  trans-77.8110.8173.2-167.4-171.8167.700111.5V580 T642 N650 Y667V580-E644 WeakPolarHBondContact CG2-O 3.28Å; T642-E644 VanDerWaalsContact C-N 3.34Å; T642-E644 WeakPolarHBondContact CG2-O 3.47Å; T642-E644 PolarHBondContact OG1-N 3.37Å; E644-N650 PolarHBondContact OE1-ND2 3.1Å; E644-Y667 PolarHBondContact OE1-OH 3.26Å; E644-Y667 WeakPolarHBondContact OE2-CE1 3.44Å; E644-Y667 PolarHBondContact OE2-OH 3Å
645A94.7Very high89.8Confident44 Ų4439 Ų3936%0.36422%0.215SC..  trans-68.9146.3174.300000112.2D643 T647 N650D643-A645 PolarHBondContact O-N 3.09Å; A645-T647 HydrophobicContact CB-CG2 4.33Å; A645-T647 PolarHBondContact O-N 3.4Å; A645-N650 PolarHBondContact O-ND2 2.98Å
646F93.3Very high88.3Confident6 Ų639.8 Ų39.83%0.02622%0.223CC..  trans-74.8122.6169-48.7-25.6000108.6Q563 F565 V578 V580 L652 L653 L659 F668Q563-F646 HydrophobicContact CB-CD2 3.77Å; Q563-F646 HydrophobicContact CB-CE2 3.97Å; Q563-F646 HydrophobicContact CB-CG 4.48Å; Q563-F646 PolarHBondContact NE2-O 2.9Å; F565-F646 HydrophobicContact CB-CE2 3.91Å; F565-F646 HydrophobicContact CB-CZ 3.96Å; V578-F646 HydrophobicContact CB-CZ 4.48Å; V578-F646 HydrophobicContact CG1-CE1 4.17Å; V578-F646 HydrophobicContact CG1-CZ 3.98Å; V580-F646 HydrophobicContact CG2-CD1 4.18Å; V580-F646 HydrophobicContact CG2-CE1 3.91Å; V580-F646 HydrophobicContact CG2-CE2 4.47Å; V580-F646 HydrophobicContact CG2-CZ 4.08Å; F646-L652 HydrophobicContact CB-CB 3.85Å; F646-L652 HydrophobicContact CB-CD1 4.41Å; F646-L652 HydrophobicContact CD1-CB 4.37Å; F646-L652 HydrophobicContact CD1-CD1 3.55Å; F646-L652 HydrophobicContact CE1-CD1 4.25Å; F646-L652 HydrophobicContact CG-CB 4.3Å; F646-L652 HydrophobicContact CG-CD1 4.29Å; F646-L653 HydrophobicContact CB-CD2 3.97Å; F646-L653 HydrophobicContact CB-CG 4.02Å; F646-L653 WeakPolarHBondContact O-CD1 3.47Å; F646-L659 HydrophobicContact CD2-CD1 3.65Å; F646-L659 HydrophobicContact CE2-CD1 4.02Å; F646-L659 HydrophobicContact CG-CD1 4.28Å; F646-F668 HydrophobicContact CD1-CE2 4.3Å; F646-F668 HydrophobicContact CD1-CZ 4.46Å; F646-F668 AromaticContact CE1-CE2 3.58Å; F646-F668 HydrophobicContact CE1-CE2 3.58Å; F646-F668 AromaticContact CE1-CZ 3.76Å; F646-F668 HydrophobicContact CE1-CZ 3.76Å; F646-F668 HydrophobicContact CZ-CE2 4.24Å
647T88.5Confident87.2Confident51 Ų5143.9 Ų43.931%0.31324%0.243SC..  trans-131.9168.3-177.165.10000110.8A645 D649 N650 L652 L653A645-T647 HydrophobicContact CB-CG2 4.33Å; A645-T647 PolarHBondContact O-N 3.4Å; T647-D649 VanDerWaalsContact C-N 3.3Å; T647-D649 PolarHBondContact OG1-N 3.11Å; T647-N650 PolarHBondContact N-OD1 3.42Å; T647-N650 PolarHBondContact O-OD1 2.84Å; T647-N650 PolarHBondContact OG1-N 2.97Å; T647-N650 VanDerWaalsContact OG1-N 3.08Å; T647-N650 PolarHBondContact OG1-OD1 3.07Å; T647-L652 PolarHBondContact O-N 2.82Å; T647-L652 VanDerWaalsContact O-N 3.14Å; T647-L653 PolarHBondContact O-N 3.49Å
648V78.2Confident86.3Confident60 Ų6045.5 Ų45.536%0.36425%0.249SC..THydrogen-bonded Turntrans-69.4-36.4169.8-177.90000109.6G651 L653 T654 M657V648-G651 WeakPolarHBondContact O-CA 2.85Å; V648-G651 PolarHBondContact O-N 3.41Å; V648-L653 HydrophobicContact CG2-CB 4.15Å; V648-T654 WeakPolarHBondContact CG2-O 3.44Å; V648-M657 HydrophobicContact CG2-SD 3.92Å
649D82Confident85.7Confident161 Ų16146.8 Ų46.886%0.86125%0.254SS*.THydrogen-bonded Turntrans-64.8-40.8-176.6-59.6-18000112.9T647 G651T647-D649 VanDerWaalsContact C-N 3.3Å; T647-D649 PolarHBondContact OG1-N 3.11Å; D649-G651 PolarHBondContact O-N 3.38Å
650N89.8Confident85Confident48 Ų4846.9 Ų46.926%0.25726%0.255SS..THydrogen-bonded Turntrans-83.66.9171.368.75.4000113.5E644 A645 T647 L652E644-N650 PolarHBondContact OE1-ND2 3.1Å; A645-N650 PolarHBondContact O-ND2 2.98Å; T647-N650 PolarHBondContact N-OD1 3.42Å; T647-N650 PolarHBondContact O-OD1 2.84Å; T647-N650 PolarHBondContact OG1-N 2.97Å; T647-N650 VanDerWaalsContact OG1-N 3.08Å; T647-N650 PolarHBondContact OG1-OD1 3.07Å; N650-L652 PolarHBondContact O-N 3.01Å; N650-L652 VanDerWaalsContact O-N 3.17Å; N650-L652 WeakPolarHBondContact OD1-CB 3.45Å; N650-L652 WeakPolarHBondContact OD1-CG 3.38Å; N650-L652 PolarHBondContact OD1-N 3.26Å
651G83Confident84.4Confident16 Ų1643.6 Ų43.617%0.16524%0.242CC..THydrogen-bonded Turntrans71.23.6176.400000115.3V648 D649 S660 K663V648-G651 WeakPolarHBondContact O-CA 2.85Å; V648-G651 PolarHBondContact O-N 3.41Å; D649-G651 PolarHBondContact O-N 3.38Å; G651-S660 WeakPolarHBondContact O-CB 3.38Å; G651-S660 PolarHBondContact O-OG 3.47Å; G651-K663 WeakPolarHBondContact O-CD 3.5Å
652L89.1Confident83.6Confident1 Ų146.4 Ų46.41%0.00526%0.257CS..SBendtrans-77.9-21.3-179.4-62-178.3000112.5F646 T647 N650 S660 A664 Y667 F668F646-L652 HydrophobicContact CB-CB 3.85Å; F646-L652 HydrophobicContact CB-CD1 4.41Å; F646-L652 HydrophobicContact CD1-CB 4.37Å; F646-L652 HydrophobicContact CD1-CD1 3.55Å; F646-L652 HydrophobicContact CE1-CD1 4.25Å; F646-L652 HydrophobicContact CG-CB 4.3Å; F646-L652 HydrophobicContact CG-CD1 4.29Å; T647-L652 PolarHBondContact O-N 2.82Å; T647-L652 VanDerWaalsContact O-N 3.14Å; N650-L652 PolarHBondContact O-N 3.01Å; N650-L652 VanDerWaalsContact O-N 3.17Å; N650-L652 WeakPolarHBondContact OD1-CB 3.45Å; N650-L652 WeakPolarHBondContact OD1-CG 3.38Å; N650-L652 PolarHBondContact OD1-N 3.26Å; L652-S660 WeakPolarHBondContact O-CB 3.35Å; L652-S660 PolarHBondContact O-N 3.23Å; L652-A664 HydrophobicContact CD2-CB 4.13Å; L652-Y667 HydrophobicContact CD1-CD1 4.22Å; L652-Y667 HydrophobicContact CD1-CE1 4.38Å; L652-Y667 HydrophobicContact CD2-CD1 4.2Å; L652-Y667 HydrophobicContact CD2-CG 4.04Å; L652-F668 HydrophobicContact CD1-CE2 3.98Å; L652-F668 HydrophobicContact CD1-CZ 4.19Å
653L82.6Confident83Confident17 Ų1751.3 Ų51.39%0.08928%0.278CS..BIsolated β-bridgetrans-110.9151.7168.5-59.2-176.7000111.7F646 T647 V648 M657 K658 L659F646-L653 HydrophobicContact CB-CD2 3.97Å; F646-L653 HydrophobicContact CB-CG 4.02Å; F646-L653 WeakPolarHBondContact O-CD1 3.47Å; T647-L653 PolarHBondContact O-N 3.49Å; V648-L653 HydrophobicContact CG2-CB 4.15Å; L653-M657 HydrophobicContact CD1-CE 3.79Å; L653-M657 HydrophobicContact CD1-SD 4.29Å; L653-K658 CarbonylContact C-O 3.51Å; L653-K658 VanDerWaalsContact CA-O 3.24Å; L653-K658 WeakPolarHBondContact CA-O 3.29Å; L653-L659 HydrophobicContact CD2-CD1 4.37Å
654T74.3Confident82.8Confident12 Ų1247.9 Ų47.97%0.07426%0.26CS..  trans-75.8163.5166.9680000110.4V648 T656 M657 K658 S660V648-T654 WeakPolarHBondContact CG2-O 3.44Å; T654-T656 PolarHBondContact O-N 3.06Å; T654-T656 PolarHBondContact OG1-N 2.79Å; T654-T656 PolarHBondContact OG1-OG1 3.45Å; T654-M657 WeakPolarHBondContact O-CA 3.5Å; T654-M657 PolarHBondContact O-N 3.02Å; T654-M657 PolarHBondContact OG1-N 3Å; T654-K658 HydrophobicContact CG2-CB 4.29Å; T654-K658 PolarHBondContact N-O 2.93Å; T654-K658 PolarHBondContact OG1-N 3.41Å; T654-K658 PolarHBondContact OG1-O 3.02Å; T654-S660 PolarHBondContact N-OG 2.95Å
655P67.9Low82.6Confident45 Ų4548.5 Ų48.529%0.29226%0.259SS..THydrogen-bonded Turntrans-57.5-21.4171.1-26.935.9000114.3Y148 M657Y148-P655 HydrophobicContact CE2-CB 4.28Å; P655-M657 VanDerWaalsContact C-N 3.28Å
656T62.1Low82.3Confident60 Ų6051.9 Ų51.937%0.36827%0.272SS..THydrogen-bonded Turntrans-87.18.8172.650.70000113.5T654 K658T654-T656 PolarHBondContact O-N 3.06Å; T654-T656 PolarHBondContact OG1-N 2.79Å; T654-T656 PolarHBondContact OG1-OG1 3.45Å; T656-K658 VanDerWaalsContact C-N 3.29Å; T656-K658 PolarHBondContact O-N 3.24Å
657M72.2Confident82.4Confident87 Ų8757.5 Ų57.543%0.42929%0.293SS..SBendtrans65.523.1178.4-54.7-72.3-64.400114.6V648 L653 T654 P655V648-M657 HydrophobicContact CG2-SD 3.92Å; L653-M657 HydrophobicContact CD1-CE 3.79Å; L653-M657 HydrophobicContact CD1-SD 4.29Å; T654-M657 WeakPolarHBondContact O-CA 3.5Å; T654-M657 PolarHBondContact O-N 3.02Å; T654-M657 PolarHBondContact OG1-N 3Å; P655-M657 VanDerWaalsContact C-N 3.28Å
658K76.7Confident82.7Confident102 Ų10255.3 Ų55.344%0.44328%0.28SS..  trans-86.8151170.8-62.5-173177.1-1740109.9S413 L653 T654 T656 S660S413-K658 PolarHBondContact O-NZ 3.34Å; S413-K658 VanDerWaalsContact O-NZ 3.17Å; L653-K658 CarbonylContact C-O 3.51Å; L653-K658 VanDerWaalsContact CA-O 3.24Å; L653-K658 WeakPolarHBondContact CA-O 3.29Å; T654-K658 HydrophobicContact CG2-CB 4.29Å; T654-K658 PolarHBondContact N-O 2.93Å; T654-K658 PolarHBondContact OG1-N 3.41Å; T654-K658 PolarHBondContact OG1-O 3.02Å; T656-K658 VanDerWaalsContact C-N 3.29Å; T656-K658 PolarHBondContact O-N 3.24Å; K658-S660 PolarHBondContact O-N 3.45Å
659L82.4Confident83.4Confident39 Ų3955.3 Ų55.320%0.20428%0.282CS..BIsolated β-bridgetrans-67.3124.7175.8-175.572.3000111F565 F646 L653 R661 A664F565-L659 HydrophobicContact CB-CD2 3.82Å; F565-L659 HydrophobicContact CD2-CD2 3.49Å; F565-L659 VanDerWaalsContact CD2-CD2 3.49Å; F565-L659 HydrophobicContact CE2-CD2 4.4Å; F565-L659 HydrophobicContact CG-CD2 3.95Å; F646-L659 HydrophobicContact CD2-CD1 3.65Å; F646-L659 HydrophobicContact CE2-CD1 4.02Å; F646-L659 HydrophobicContact CG-CD1 4.28Å; L653-L659 HydrophobicContact CD2-CD1 4.37Å; L659-R661 VanDerWaalsContact C-N 3.27Å; L659-R661 HydrophobicContact CD2-CG 4.01Å; L659-R661 HydrophobicContact CG-CG 4.35Å; L659-R661 PolarHBondContact O-N 2.87Å; L659-A664 HydrophobicContact CD1-CB 4.26Å
660S82.5Confident84Confident6 Ų656.3 Ų56.34%0.04228%0.279CS..  trans-78.371.7172.3-63.50000110.1G651 L652 T654 K658 N662 K663 A664G651-S660 WeakPolarHBondContact O-CB 3.38Å; G651-S660 PolarHBondContact O-OG 3.47Å; L652-S660 WeakPolarHBondContact O-CB 3.35Å; L652-S660 PolarHBondContact O-N 3.23Å; T654-S660 PolarHBondContact N-OG 2.95Å; K658-S660 PolarHBondContact O-N 3.45Å; S660-N662 VanDerWaalsContact C-N 3.33Å; S660-N662 PolarHBondContact O-N 3.15Å; S660-N662 VanDerWaalsContact O-N 3.13Å; S660-K663 WeakPolarHBondContact O-CA 3.41Å; S660-K663 WeakPolarHBondContact O-CB 3.36Å; S660-K663 PolarHBondContact O-N 3.49Å; S660-A664 PolarHBondContact O-N 3.27Å
661R86.5Confident84.3Confident20 Ų2055.6 Ų55.68%0.07528%0.276CS..Hα-helixtrans-47.7-44.9-170.2-75.9-175.5177.5-69.3-7.7115.5S536 P548 E552 F565 I566 L659 A664 R665S536-R661 WeakPolarHBondContact OG-CD 3.42Å; S536-R661 PolarHBondContact OG-NE 2.8Å; P548-R661 VanDerWaalsContact CG-CZ 3.5Å; E552-R661 IonicContact OE1-CZ 3.72Å; E552-R661 VanDerWaalsContact OE1-CZ 3.27Å; E552-R661 IonicContact OE1-NH1 3.87Å; E552-R661 PolarHBondContact OE1-NH1 3.38Å; E552-R661 IonicContact OE1-NH2 3.87Å; E552-R661 PolarHBondContact OE1-NH2 2.91Å; E552-R661 IonicContact OE2-CZ 3.77Å; E552-R661 IonicContact OE2-NH1 3.01Å; E552-R661 IonicContact OE2-NH2 2.79Å; E552-R661 PolarHBondContact OE2-NH2 3.23Å; F565-R661 HydrophobicContact CE2-CB 4.48Å; F565-R661 HydrophobicContact CE2-CG 4.34Å; I566-R661 PolarHBondContact O-NH1 3.33Å; L659-R661 VanDerWaalsContact C-N 3.27Å; L659-R661 HydrophobicContact CD2-CG 4.01Å; L659-R661 HydrophobicContact CG-CG 4.35Å; L659-R661 PolarHBondContact O-N 2.87Å; R661-A664 PolarHBondContact O-N 3.48Å; R661-R665 WeakPolarHBondContact O-CB 3.5Å; R661-R665 PolarHBondContact O-N 3.32Å
662N80.5Confident84.9Confident60 Ų6055.4 Ų55.432%0.32127%0.272SS..Hα-helixtrans-65.6-40.9179.2-72.3-12.8000111.9S660 R665 N666S660-N662 VanDerWaalsContact C-N 3.33Å; S660-N662 PolarHBondContact O-N 3.15Å; S660-N662 VanDerWaalsContact O-N 3.13Å; N662-R665 PolarHBondContact O-N 3.06Å; N662-N666 WeakPolarHBondContact O-CB 3.24Å; N662-N666 PolarHBondContact O-N 3.13Å; N662-N666 PolarHBondContact O-ND2 2.92Å
663K85.9Confident85Confident109 Ų10958 Ų5847%0.47429%0.293SS..Hα-helixtrans-65.3-43174.3-66.9-174.2174.5-173.50110.6G651 S660 N666 Y667G651-K663 WeakPolarHBondContact O-CD 3.5Å; S660-K663 WeakPolarHBondContact O-CA 3.41Å; S660-K663 WeakPolarHBondContact O-CB 3.36Å; S660-K663 PolarHBondContact O-N 3.49Å; K663-N666 PolarHBondContact O-N 3.08Å; K663-Y667 VanDerWaalsContact O-CB 3.23Å; K663-Y667 WeakPolarHBondContact O-CB 3.38Å; K663-Y667 PolarHBondContact O-N 3.32Å
664A91.6Very high85.5Confident0 Ų059.5 Ų59.50%031%0.305CS..Hα-helixtrans-62.7-44.6175.700000112.6F565 L652 L659 S660 R661 N666 Y667 F668F565-A664 HydrophobicContact CD1-CB 3.83Å; F565-A664 HydrophobicContact CD2-CB 4.42Å; F565-A664 HydrophobicContact CE1-CB 3.81Å; F565-A664 HydrophobicContact CE2-CB 4.42Å; F565-A664 HydrophobicContact CG-CB 4.14Å; F565-A664 HydrophobicContact CZ-CB 4.13Å; L652-A664 HydrophobicContact CD2-CB 4.13Å; L659-A664 HydrophobicContact CD1-CB 4.26Å; S660-A664 PolarHBondContact O-N 3.27Å; R661-A664 PolarHBondContact O-N 3.48Å; A664-N666 VanDerWaalsContact C-N 3.33Å; A664-N666 PolarHBondContact O-N 3.46Å; A664-Y667 PolarHBondContact O-N 3.35Å; A664-F668 WeakPolarHBondContact O-CB 3.37Å; A664-F668 VanDerWaalsContact O-CD2 3.3Å; A664-F668 WeakPolarHBondContact O-CD2 3.46Å; A664-F668 PolarHBondContact O-N 2.89Å
665R90.3Very high86.5Confident74 Ų7459.3 Ų59.328%0.27930%0.303SS..Hα-helixtrans-58.6-44.8174.3-175.4177.8-74154.6-0.9111.3F565 D567 R661 N662 S669F565-R665 HydrophobicContact CE1-CB 4.45Å; F565-R665 HydrophobicContact CZ-CB 3.93Å; D567-R665 IonicContact OD1-CZ 2.59Å; D567-R665 IonicContact OD1-NE 2.69Å; D567-R665 PolarHBondContact OD1-NE 2.99Å; D567-R665 IonicContact OD1-NH2 3.33Å; D567-R665 PolarHBondContact OD1-NH2 2.91Å; D567-R665 IonicContact OD2-NE 3.42Å; D567-R665 PolarHBondContact OD2-NE 2.68Å; R661-R665 WeakPolarHBondContact O-CB 3.5Å; R661-R665 PolarHBondContact O-N 3.32Å; N662-R665 PolarHBondContact O-N 3.06Å; R665-S669 WeakPolarHBondContact O-CA 3.33Å; R665-S669 WeakPolarHBondContact O-CB 3.29Å; R665-S669 PolarHBondContact O-N 2.81Å
666N89.4Confident87.5Confident116 Ų11657.5 Ų57.562%0.6229%0.291SS*.Hα-helixtrans-66.9-46.4178.4-70.9-11.1000111.7N662 K663 A664 S669N662-N666 WeakPolarHBondContact O-CB 3.24Å; N662-N666 PolarHBondContact O-N 3.13Å; N662-N666 PolarHBondContact O-ND2 2.92Å; K663-N666 PolarHBondContact O-N 3.08Å; A664-N666 VanDerWaalsContact C-N 3.33Å; A664-N666 PolarHBondContact O-N 3.46Å; N666-S669 VanDerWaalsContact O-CB 3.3Å; N666-S669 WeakPolarHBondContact O-CB 3.27Å; N666-S669 PolarHBondContact O-N 2.88Å; N666-S669 PolarHBondContact O-OG 2.8Å
667Y94.1Very high88.7Confident123 Ų12358.4 Ų58.448%0.48230%0.296SS..Hα-helixtrans-60.4-46.5179.4-172.7-98.1000111.8E644 L652 K663 A664E644-Y667 PolarHBondContact OE1-OH 3.26Å; E644-Y667 WeakPolarHBondContact OE2-CE1 3.44Å; E644-Y667 PolarHBondContact OE2-OH 3Å; L652-Y667 HydrophobicContact CD1-CD1 4.22Å; L652-Y667 HydrophobicContact CD1-CE1 4.38Å; L652-Y667 HydrophobicContact CD2-CD1 4.2Å; L652-Y667 HydrophobicContact CD2-CG 4.04Å; K663-Y667 VanDerWaalsContact O-CB 3.23Å; K663-Y667 WeakPolarHBondContact O-CB 3.38Å; K663-Y667 PolarHBondContact O-N 3.32Å; A664-Y667 PolarHBondContact O-N 3.35Å
668F95.7Very high89.4Confident6 Ų659.2 Ų59.23%0.02630%0.299CS..THydrogen-bonded Turntrans-92.813.2179.5-64.6-66.5000114F565 V578 Y640 F646 L652 A664 K670 T671 I672F565-F668 HydrophobicContact CD1-CD2 4.2Å; V578-F668 HydrophobicContact CB-CD2 4.45Å; V578-F668 HydrophobicContact CG1-CD1 4.21Å; V578-F668 HydrophobicContact CG1-CD2 4.25Å; V578-F668 HydrophobicContact CG1-CE1 3.96Å; V578-F668 HydrophobicContact CG1-CE2 4Å; V578-F668 HydrophobicContact CG1-CG 4.37Å; V578-F668 HydrophobicContact CG1-CZ 3.86Å; V578-F668 HydrophobicContact CG2-CB 4Å; V578-F668 HydrophobicContact CG2-CD1 4.13Å; V578-F668 HydrophobicContact CG2-CD2 4.1Å; V578-F668 HydrophobicContact CG2-CG 3.82Å; Y640-F668 HydrophobicContact CE1-CE1 4.49Å; F646-F668 HydrophobicContact CD1-CE2 4.3Å; F646-F668 HydrophobicContact CD1-CZ 4.46Å; F646-F668 AromaticContact CE1-CE2 3.58Å; F646-F668 HydrophobicContact CE1-CE2 3.58Å; F646-F668 AromaticContact CE1-CZ 3.76Å; F646-F668 HydrophobicContact CE1-CZ 3.76Å; F646-F668 HydrophobicContact CZ-CE2 4.24Å; L652-F668 HydrophobicContact CD1-CE2 3.98Å; L652-F668 HydrophobicContact CD1-CZ 4.19Å; A664-F668 WeakPolarHBondContact O-CB 3.37Å; A664-F668 VanDerWaalsContact O-CD2 3.3Å; A664-F668 WeakPolarHBondContact O-CD2 3.46Å; A664-F668 PolarHBondContact O-N 2.89Å; F668-K670 PolarHBondContact O-N 3.33Å; F668-T671 CarbonylContact O-C 3.51Å; F668-T671 WeakPolarHBondContact O-CA 3.44Å; F668-T671 WeakPolarHBondContact O-CB 3.39Å; F668-T671 PolarHBondContact O-N 3.38Å; F668-I672 HydrophobicContact CB-CD1 3.94Å; F668-I672 HydrophobicContact CB-CG1 4.29Å; F668-I672 WeakPolarHBondContact O-CG1 3.49Å; F668-I672 PolarHBondContact O-N 3.01Å
669S93.4Very high89.7Confident60 Ų6056.4 Ų56.442%0.4229%0.287SS..Hα-helixtrans-54-47.9-172.152.70000113.4R665 N666 I672 A673R665-S669 WeakPolarHBondContact O-CA 3.33Å; R665-S669 WeakPolarHBondContact O-CB 3.29Å; R665-S669 PolarHBondContact O-N 2.81Å; N666-S669 VanDerWaalsContact O-CB 3.3Å; N666-S669 WeakPolarHBondContact O-CB 3.27Å; N666-S669 PolarHBondContact O-N 2.88Å; N666-S669 PolarHBondContact O-OG 2.8Å; S669-I672 PolarHBondContact O-N 2.98Å; S669-A673 WeakPolarHBondContact O-CB 3.27Å; S669-A673 PolarHBondContact O-N 3.32Å
670K95Very high89.5Confident181 Ų18158.2 Ų58.279%0.78730%0.295SS*.Hα-helixtrans-64-40.8176.5-67.3-177.5179.5177.90112.1F668 A673 S674F668-K670 PolarHBondContact O-N 3.33Å; K670-A673 PolarHBondContact O-N 3.26Å; K670-S674 WeakPolarHBondContact O-CB 3.41Å; K670-S674 PolarHBondContact O-N 3.35Å
671T96Very high89.2Confident34 Ų3463.2 Ų63.221%0.20932%0.32CS..Hα-helixtrans-63.5-47.5177.9-56.10000111.1Y640 F668 A673 S674 L675Y640-T671 HydrophobicContact CD1-CG2 3.48Å; Y640-T671 VanDerWaalsContact CD1-CG2 3.48Å; Y640-T671 HydrophobicContact CD2-CG2 3.58Å; Y640-T671 HydrophobicContact CE1-CG2 4Å; Y640-T671 HydrophobicContact CE2-CG2 4.11Å; Y640-T671 HydrophobicContact CG-CG2 3.24Å; F668-T671 CarbonylContact O-C 3.51Å; F668-T671 WeakPolarHBondContact O-CA 3.44Å; F668-T671 WeakPolarHBondContact O-CB 3.39Å; F668-T671 PolarHBondContact O-N 3.38Å; T671-A673 PolarHBondContact O-N 3.43Å; T671-S674 WeakPolarHBondContact O-CB 3.33Å; T671-S674 PolarHBondContact O-N 2.97Å; T671-L675 WeakPolarHBondContact O-CG 3.22Å; T671-L675 PolarHBondContact O-N 3.01Å
672I94.7Very high88.6Confident12 Ų1267.5 Ų67.56%0.06235%0.345CS..Hα-helixtrans-62-44.7178.6-71.5159.6000110.7F565 D567 V576 F668 S669 S674 L675 Y676F565-I672 HydrophobicContact CE1-CD1 3.78Å; F565-I672 HydrophobicContact CZ-CD1 4.44Å; D567-I672 HydrophobicContact CB-CD1 3.92Å; D567-I672 HydrophobicContact CB-CG1 4.44Å; V576-I672 HydrophobicContact CG2-CG2 4.04Å; F668-I672 HydrophobicContact CB-CD1 3.94Å; F668-I672 HydrophobicContact CB-CG1 4.29Å; F668-I672 WeakPolarHBondContact O-CG1 3.49Å; F668-I672 PolarHBondContact O-N 3.01Å; S669-I672 PolarHBondContact O-N 2.98Å; I672-S674 VanDerWaalsContact C-N 3.3Å; I672-S674 PolarHBondContact O-N 3.31Å; I672-L675 PolarHBondContact O-N 3.22Å; I672-Y676 HydrophobicContact CG2-CD2 4.08Å; I672-Y676 HydrophobicContact CG2-CE2 3.68Å; I672-Y676 VanDerWaalsContact O-CD2 3.23Å; I672-Y676 WeakPolarHBondContact O-CD2 3.32Å; I672-Y676 PolarHBondContact O-N 3.42Å
673A91.1Very high87.9Confident55 Ų5567.5 Ų67.546%0.45535%0.35SS..Hα-helixtrans-57.8-44.7174.500000111.5S669 K670 T671 L675 Y676 T677S669-A673 WeakPolarHBondContact O-CB 3.27Å; S669-A673 PolarHBondContact O-N 3.32Å; K670-A673 PolarHBondContact O-N 3.26Å; T671-A673 PolarHBondContact O-N 3.43Å; A673-L675 PolarHBondContact O-N 3.21Å; A673-Y676 PolarHBondContact O-N 2.61Å; A673-T677 PolarHBondContact O-N 2.74Å; A673-T677 VanDerWaalsContact O-N 3.12Å; A673-T677 PolarHBondContact O-OG1 2.74Å
674S93.8Very high86.2Confident48 Ų4866.7 Ų66.734%0.33636%0.358SS..Hα-helixtrans-62.3-38.4176.4-173.10000113K670 T671 I672 Y676 T677 Q678K670-S674 WeakPolarHBondContact O-CB 3.41Å; K670-S674 PolarHBondContact O-N 3.35Å; T671-S674 WeakPolarHBondContact O-CB 3.33Å; T671-S674 PolarHBondContact O-N 2.97Å; I672-S674 VanDerWaalsContact C-N 3.3Å; I672-S674 PolarHBondContact O-N 3.31Å; S674-Y676 VanDerWaalsContact C-N 3.33Å; S674-Y676 PolarHBondContact O-N 3.03Å; S674-T677 PolarHBondContact O-N 2.95Å; S674-Q678 VanDerWaalsContact O-CB 3.31Å; S674-Q678 WeakPolarHBondContact O-CB 3.32Å; S674-Q678 VanDerWaalsContact O-CG 3.27Å; S674-Q678 WeakPolarHBondContact O-CG 3.39Å; S674-Q678 PolarHBondContact O-N 2.72Å; S674-Q678 PolarHBondContact OG-NE2 2.91Å
675L95.1Very high83.9Confident9 Ų971.1 Ų71.15%0.04739%0.389CS..Hα-helixtrans-60.7-43.2177.9-72.1176.8000111.7V576 A638 I639 T671 I672 A673 H679V576-L675 HydrophobicContact CB-CB 4.28Å; V576-L675 HydrophobicContact CB-CD1 3.99Å; V576-L675 HydrophobicContact CG1-CB 4.17Å; V576-L675 HydrophobicContact CG2-CB 4.46Å; V576-L675 HydrophobicContact CG2-CD1 4.12Å; A638-L675 HydrophobicContact CB-CB 4.2Å; A638-L675 HydrophobicContact CB-CD2 4.24Å; I639-L675 VanDerWaalsContact C-CD2 3.46Å; I639-L675 WeakPolarHBondContact O-CD2 3.16Å; T671-L675 WeakPolarHBondContact O-CG 3.22Å; T671-L675 PolarHBondContact O-N 3.01Å; I672-L675 PolarHBondContact O-N 3.22Å; A673-L675 PolarHBondContact O-N 3.21Å; L675-H679 VanDerWaalsContact O-CB 3.3Å; L675-H679 WeakPolarHBondContact O-CB 3.44Å; L675-H679 PolarHBondContact O-N 3.44Å
676Y89.2Confident81.5Confident7 Ų775.6 Ų75.63%0.02742%0.424CS..Hα-helixtrans-65.4-47.7176.1-72.8-64.2000111.9D567 G568 N569 K572 Y574 V576 I672 A673 S674 Q678 H679 E680D567-Y676 PolarHBondContact O-OH 2.76Å; G568-Y676 VanDerWaalsContact CA-OH 3.23Å; G568-Y676 WeakPolarHBondContact CA-OH 3.13Å; N569-Y676 HydrophobicContact CB-CE2 4.02Å; N569-Y676 PolarHBondContact N-OH 2.76Å; K572-Y676 HydrophobicContact CB-CD1 3.87Å; K572-Y676 HydrophobicContact CB-CE1 3.53Å; K572-Y676 HydrophobicContact CD-CD1 3.73Å; K572-Y676 HydrophobicContact CD-CE1 4.3Å; K572-Y676 HydrophobicContact CD-CG 4.11Å; K572-Y676 HydrophobicContact CG-CD1 3.45Å; K572-Y676 VanDerWaalsContact CG-CD1 3.45Å; K572-Y676 HydrophobicContact CG-CD2 4.44Å; K572-Y676 HydrophobicContact CG-CE1 3.54Å; K572-Y676 HydrophobicContact CG-CG 3.93Å; Y574-Y676 HydrophobicContact CD2-CD1 4.38Å; Y574-Y676 HydrophobicContact CD2-CE1 4.03Å; Y574-Y676 AromaticContact CE2-CD1 3.58Å; Y574-Y676 HydrophobicContact CE2-CD1 3.58Å; Y574-Y676 AromaticContact CE2-CE1 3.67Å; Y574-Y676 HydrophobicContact CE2-CE1 3.67Å; Y574-Y676 AromaticContact CZ-CD1 3.99Å; V576-Y676 HydrophobicContact CG1-CD1 3.91Å; V576-Y676 HydrophobicContact CG1-CE1 3.56Å; V576-Y676 HydrophobicContact CG1-CE2 4.33Å; V576-Y676 HydrophobicContact CG1-CG 4.44Å; V576-Y676 HydrophobicContact CG2-CD2 4.49Å; V576-Y676 HydrophobicContact CG2-CE1 4.4Å; V576-Y676 HydrophobicContact CG2-CE2 3.79Å; I672-Y676 HydrophobicContact CG2-CD2 4.08Å; I672-Y676 HydrophobicContact CG2-CE2 3.68Å; I672-Y676 VanDerWaalsContact O-CD2 3.23Å; I672-Y676 WeakPolarHBondContact O-CD2 3.32Å; I672-Y676 PolarHBondContact O-N 3.42Å; A673-Y676 PolarHBondContact O-N 2.61Å; S674-Y676 VanDerWaalsContact C-N 3.33Å; S674-Y676 PolarHBondContact O-N 3.03Å; Y676-Q678 PolarHBondContact O-N 3.03Å; Y676-H679 PolarHBondContact O-N 3.38Å; Y676-E680 WeakPolarHBondContact O-CG 3.44Å; Y676-E680 PolarHBondContact O-N 2.99Å; Y676-E680 VanDerWaalsContact O-N 3.08Å
677T87.1Confident81.1Confident78 Ų7873.6 Ų73.648%0.47942%0.415SS..Hα-helixtrans-62.1-44.5179.9-56.60000112.2A673 S674 E680 L681A673-T677 PolarHBondContact O-N 2.74Å; A673-T677 VanDerWaalsContact O-N 3.12Å; A673-T677 PolarHBondContact O-OG1 2.74Å; S674-T677 PolarHBondContact O-N 2.95Å; T677-E680 PolarHBondContact O-N 3.45Å; T677-L681 HydrophobicContact CG2-CD1 4.2Å; T677-L681 WeakPolarHBondContact O-CG 3.21Å; T677-L681 PolarHBondContact O-N 2.94Å; T677-L681 VanDerWaalsContact O-N 3.1Å
678Q86.4Confident80.4Confident104 Ų10471 Ų7149%0.48641%0.411SS..Hα-helixtrans-66.7-40.9179.4-73.5175.7-8.100112.3S674 Y676 E680 L681 N682S674-Q678 VanDerWaalsContact O-CB 3.31Å; S674-Q678 WeakPolarHBondContact O-CB 3.32Å; S674-Q678 VanDerWaalsContact O-CG 3.27Å; S674-Q678 WeakPolarHBondContact O-CG 3.39Å; S674-Q678 PolarHBondContact O-N 2.72Å; S674-Q678 PolarHBondContact OG-NE2 2.91Å; Y676-Q678 PolarHBondContact O-N 3.03Å; Q678-E680 VanDerWaalsContact C-N 3.33Å; Q678-E680 PolarHBondContact O-N 3.23Å; Q678-L681 PolarHBondContact O-N 2.67Å; Q678-N682 WeakPolarHBondContact O-CB 3.42Å; Q678-N682 VanDerWaalsContact O-CG 3.27Å; Q678-N682 PolarHBondContact O-N 3.08Å; Q678-N682 PolarHBondContact O-ND2 3.18Å
679H83.8Confident79.6Confident44 Ų4474.6 Ų74.620%0.20443%0.432CS..Hα-helixtrans-63.6-41.3177.4-171.581.1000111.4Y574 Q637 A638 L675 Y676 N682 S683Y574-H679 AromaticContact CE1-CD2 3.66Å; Y574-H679 AromaticContact CE2-CD2 3.95Å; Y574-H679 AromaticContact CZ-CD2 3.32Å; Y574-H679 AromaticContact CZ-CG 3.96Å; Y574-H679 PolarHBondContact OH-CD2 2.94Å; Q637-H679 PolarHBondContact O-CE1 3.42Å; Q637-H679 PolarHBondContact O-ND1 3.3Å; Q637-H679 VanDerWaalsContact O-ND1 3.16Å; A638-H679 HydrophobicContact CB-CB 4.14Å; L675-H679 VanDerWaalsContact O-CB 3.3Å; L675-H679 WeakPolarHBondContact O-CB 3.44Å; L675-H679 PolarHBondContact O-N 3.44Å; Y676-H679 PolarHBondContact O-N 3.38Å; H679-N682 PolarHBondContact O-N 3.44Å; H679-S683 WeakPolarHBondContact O-CB 3.4Å; H679-S683 PolarHBondContact O-N 3.23Å; H679-S683 PolarHBondContact O-OG 3.47Å
680E77.4Confident78.8Confident77 Ų7775.5 Ų75.536%0.3643%0.433SS..Hα-helixtrans-63.6-42.5177.2-73.6174.8156.600112.3K572 Y676 T677 Q678 N682 S683 S684K572-E680 WeakPolarHBondContact CD-OE1 3.44Å; K572-E680 IonicContact NZ-OE1 2.85Å; K572-E680 PolarHBondContact NZ-OE1 2.84Å; K572-E680 IonicContact NZ-OE2 3.82Å; K572-E680 PolarHBondContact NZ-OE2 3.09Å; Y676-E680 WeakPolarHBondContact O-CG 3.44Å; Y676-E680 PolarHBondContact O-N 2.99Å; Y676-E680 VanDerWaalsContact O-N 3.08Å; T677-E680 PolarHBondContact O-N 3.45Å; Q678-E680 VanDerWaalsContact C-N 3.33Å; Q678-E680 PolarHBondContact O-N 3.23Å; E680-N682 VanDerWaalsContact C-N 3.35Å; E680-N682 PolarHBondContact O-N 3.04Å; E680-S683 WeakPolarHBondContact CA-OG 3.47Å; E680-S683 PolarHBondContact O-N 3.04Å; E680-S683 PolarHBondContact O-OG 3.04Å; E680-S684 PolarHBondContact O-N 3.39Å; E680-S684 PolarHBondContact O-OG 3.21Å
681L76.3Confident77.8Confident111 Ų11168.9 Ų68.958%0.58141%0.411SS*.Hα-helixtrans-62.2-40.1174.2-70.8169.3000112.5T677 Q678 S684 S685T677-L681 HydrophobicContact CG2-CD1 4.2Å; T677-L681 WeakPolarHBondContact O-CG 3.21Å; T677-L681 PolarHBondContact O-N 2.94Å; T677-L681 VanDerWaalsContact O-N 3.1Å; Q678-L681 PolarHBondContact O-N 2.67Å; L681-S684 WeakPolarHBondContact CA-OG 3.41Å; L681-S684 PolarHBondContact O-OG 2.95Å; L681-S685 PolarHBondContact O-N 3.04Å; L681-S685 PolarHBondContact O-OG 3.23Å
682N74.6Confident76.6Confident109 Ų10971.2 Ų71.258%0.58343%0.425SS*.Hα-helixtrans-73.2-31178.2-70.7-14.3000112.6Q678 H679 E680 S685Q678-N682 WeakPolarHBondContact O-CB 3.42Å; Q678-N682 VanDerWaalsContact O-CG 3.27Å; Q678-N682 PolarHBondContact O-N 3.08Å; Q678-N682 PolarHBondContact O-ND2 3.18Å; H679-N682 PolarHBondContact O-N 3.44Å; E680-N682 VanDerWaalsContact C-N 3.35Å; E680-N682 PolarHBondContact O-N 3.04Å; N682-S685 WeakPolarHBondContact CA-OG 3.4Å; N682-S685 PolarHBondContact O-OG 3.37Å; N682-S685 VanDerWaalsContact O-OG 3.14Å
683S65.3Low75.3Confident61 Ų6175.4 Ų75.443%0.42745%0.451SS..Hα-helixtrans-78.5-20.6176.765.10000114.3H679 E680 T686H679-S683 WeakPolarHBondContact O-CB 3.4Å; H679-S683 PolarHBondContact O-N 3.23Å; H679-S683 PolarHBondContact O-OG 3.47Å; E680-S683 WeakPolarHBondContact CA-OG 3.47Å; E680-S683 PolarHBondContact O-N 3.04Å; E680-S683 PolarHBondContact O-OG 3.04Å; S683-T686 PolarHBondContact O-OG1 3.41Å
684S50.4Low74Confident92 Ų9277 Ų7764%0.64345%0.45SS*.Hα-helixtrans-91.6-10.5177.943.30000113.3E680 L681E680-S684 PolarHBondContact O-N 3.39Å; E680-S684 PolarHBondContact O-OG 3.21Å; L681-S684 WeakPolarHBondContact CA-OG 3.41Å; L681-S684 PolarHBondContact O-OG 2.95Å
685S43.7Very low72.4Confident93 Ų9379.4 Ų79.465%0.6546%0.46SS*.  trans-96.8-3176.442.50000114L681 N682L681-S685 PolarHBondContact O-N 3.04Å; L681-S685 PolarHBondContact O-OG 3.23Å; N682-S685 WeakPolarHBondContact CA-OG 3.4Å; N682-S685 PolarHBondContact O-OG 3.37Å; N682-S685 VanDerWaalsContact O-OG 3.14Å
686T39.5Very low70.3Confident168 Ų16885.8 Ų85.8100%1.03150%0.497SS*.  trans-108.30169.454.40000110.2S683S683-T686 PolarHBondContact O-OG1 3.41Å

Retrieved 686 of 686 residues in 1100.4 ms (Link to these results)

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