A0A087XE67_POEFO Loading...

Malate dehydrogenase 1B, NAD (soluble)

AlphaFold DB , UniProt , Accession A0A087XE67, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 475 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
1M69.4Low90.7Very high86 Ų8626.7 Ų26.742%0.42413%0.134SC..  0144.30-161.2173.7-174.300109.4S31 K33 V70M1-S31 WeakPolarHBondContact CE-O 3.17Å; M1-K33 HydrophobicContact CE-CD 4.19Å; M1-K33 HydrophobicContact CE-CG 4.25Å; M1-K33 HydrophobicContact SD-CD 4.03Å; M1-K33 WeakPolarHBondContact SD-CE 3.46Å; M1-V70 WeakPolarHBondContact O-CB 3.42Å; M1-V70 WeakPolarHBondContact O-CG2 3.36Å; M1-V70 PolarHBondContact O-N 2.78Å
2A77.2Confident91Very high20 Ų2025.8 Ų25.817%0.16513%0.132CC..EExtended strand (participates in β ladder)trans-102.8143.9-179.100000112R67 E68 L69A2-R67 HydrophobicContact CB-CG 4Å; A2-E68 CarbonylContact C-O 3.51Å; A2-E68 VanDerWaalsContact CA-O 3.24Å; A2-E68 WeakPolarHBondContact CA-O 3.42Å; A2-L69 HydrophobicContact CB-CD2 4.19Å
3K90.2Very high91.2Very high52 Ų5228.8 Ų28.823%0.22615%0.154CC..EExtended strand (participates in β ladder)trans-118137.2175.3-176.8-169.9-162.1-1540108.4K33 H35 R67 E68 V70K3-K33 CarbonylContact C-O 3.56Å; K3-K33 WeakPolarHBondContact CA-O 3.43Å; K3-K33 HydrophobicContact CB-CB 4.17Å; K3-K33 HydrophobicContact CG-CB 4.05Å; K3-H35 HydrophobicContact CD-CB 4.16Å; K3-H35 PolarHBondContact NZ-ND1 2.89Å; K3-R67 WeakPolarHBondContact O-CA 3.48Å; K3-E68 PolarHBondContact N-O 2.78Å; K3-E68 PolarHBondContact O-N 2.67Å; K3-V70 HydrophobicContact CB-CG2 3.49Å; K3-V70 VanDerWaalsContact CB-CG2 3.49Å
4F93.8Very high91.4Very high3 Ų331.4 Ų31.41%0.01317%0.167CC..EExtended strand (participates in β ladder)trans-91.2134.1170-68.6-95.9000108.6L6 F32 K33 V34 H35 W66 R67 L79 F85 H88 Y93F4-L6 HydrophobicContact CB-CD1 3.99Å; F4-F32 HydrophobicContact CB-CZ 4.39Å; F4-F32 HydrophobicContact CD2-CD2 4.15Å; F4-F32 HydrophobicContact CD2-CE1 4.38Å; F4-F32 AromaticContact CD2-CE2 3.41Å; F4-F32 HydrophobicContact CD2-CE2 3.41Å; F4-F32 VanDerWaalsContact CD2-CE2 3.41Å; F4-F32 AromaticContact CD2-CZ 3.55Å; F4-F32 HydrophobicContact CD2-CZ 3.55Å; F4-F32 AromaticContact CE2-CD2 4Å; F4-F32 HydrophobicContact CE2-CD2 4Å; F4-F32 AromaticContact CE2-CE2 3.37Å; F4-F32 HydrophobicContact CE2-CE2 3.37Å; F4-F32 AromaticContact CE2-CZ 3.99Å; F4-F32 HydrophobicContact CE2-CZ 3.99Å; F4-F32 HydrophobicContact CG-CE2 4.26Å; F4-F32 HydrophobicContact CG-CZ 4.04Å; F4-F32 HydrophobicContact CZ-CE2 4.17Å; F4-K33 PolarHBondContact N-O 2.95Å; F4-V34 CarbonylContact O-C 3.57Å; F4-V34 VanDerWaalsContact O-CA 3.28Å; F4-V34 WeakPolarHBondContact O-CA 3.41Å; F4-H35 PolarHBondContact O-N 2.9Å; F4-W66 WeakPolarHBondContact CA-O 3.38Å; F4-R67 HydrophobicContact CD1-CB 4.44Å; F4-R67 HydrophobicContact CE1-CB 4.45Å; F4-L79 HydrophobicContact CD1-CD1 3.57Å; F4-L79 HydrophobicContact CE1-CD1 3.58Å; F4-F85 HydrophobicContact CD1-CD2 4.4Å; F4-F85 AromaticContact CD1-CE2 3.89Å; F4-F85 HydrophobicContact CD1-CE2 3.89Å; F4-F85 HydrophobicContact CE1-CE2 4.35Å; F4-F85 HydrophobicContact CG-CE2 4.34Å; F4-H88 AromaticContact CE1-CD2 3.73Å; F4-H88 AromaticContact CE1-NE2 3.64Å; F4-H88 AromaticContact CZ-CD2 3.86Å; F4-H88 AromaticContact CZ-NE2 3.47Å; F4-H88 WeakPolarHBondContact CZ-NE2 3.46Å; F4-Y93 HydrophobicContact CE2-CE2 4.46Å; F4-Y93 HydrophobicContact CZ-CE2 4.29Å
5V94.4Very high91.6Very high1 Ų129.3 Ų29.31%0.00616%0.156CC..EExtended strand (participates in β ladder)trans-111.9125.2173.5-175.10000107.9H35 I37 I65 W66 E68V5-H35 WeakPolarHBondContact CA-O 3.46Å; V5-H35 HydrophobicContact CB-CB 4.24Å; V5-H35 HydrophobicContact CG1-CB 4.03Å; V5-H35 HydrophobicContact CG2-CB 3.92Å; V5-I37 HydrophobicContact CG1-CD1 3.58Å; V5-I37 HydrophobicContact CG1-CG1 4.05Å; V5-I65 WeakPolarHBondContact O-CA 3.25Å; V5-W66 HydrophobicContact CB-CD2 3.76Å; V5-W66 VanDerWaalsContact CB-CE2 3.45Å; V5-W66 HydrophobicContact CB-CE3 4.08Å; V5-W66 HydrophobicContact CB-CG 4.39Å; V5-W66 HydrophobicContact CB-CH2 3.94Å; V5-W66 HydrophobicContact CB-CZ2 3.57Å; V5-W66 HydrophobicContact CB-CZ3 4.15Å; V5-W66 HydrophobicContact CG1-CD2 4.2Å; V5-W66 HydrophobicContact CG1-CE3 4.18Å; V5-W66 HydrophobicContact CG1-CH2 3.24Å; V5-W66 HydrophobicContact CG1-CZ2 3.21Å; V5-W66 HydrophobicContact CG1-CZ3 3.73Å; V5-W66 HydrophobicContact CG2-CZ2 4.08Å; V5-W66 PolarHBondContact N-O 3.26Å; V5-W66 PolarHBondContact O-N 2.99Å; V5-E68 HydrophobicContact CG2-CG 4.07Å
6L96.4Very high91.7Very high0 Ų027.4 Ų27.40%015%0.146CC..EExtended strand (participates in β ladder)trans-115.2106.5178.2-73.864.9000107F4 Y15 A18 A22 V34 H35 K36 I37 I65 F85F4-L6 HydrophobicContact CB-CD1 3.99Å; L6-Y15 HydrophobicContact CB-CE2 4.17Å; L6-A18 HydrophobicContact CD2-CB 3.73Å; L6-A18 WeakPolarHBondContact CD2-O 3.48Å; L6-A22 HydrophobicContact CD2-CB 3.75Å; L6-V34 HydrophobicContact CD1-CG2 3.57Å; L6-V34 HydrophobicContact CD2-CG2 4.48Å; L6-H35 PolarHBondContact N-O 3.21Å; L6-K36 CarbonylContact O-C 3.42Å; L6-K36 WeakPolarHBondContact O-CA 3.31Å; L6-I37 PolarHBondContact O-N 3.18Å; L6-I65 HydrophobicContact CB-CG1 4.49Å; L6-I65 HydrophobicContact CD1-CG2 4.05Å; L6-I65 HydrophobicContact CG-CD1 4.08Å; L6-I65 HydrophobicContact CG-CG1 4.05Å; L6-I65 HydrophobicContact CG-CG2 4.12Å; L6-F85 HydrophobicContact CD1-CZ 4.41Å; L6-F85 HydrophobicContact CD2-CE1 4.14Å; L6-F85 HydrophobicContact CD2-CZ 4.43Å
7A96.2Very high91.8Very high0 Ų028 Ų280%015%0.148CC..EExtended strand (participates in β ladder)trans-104.7134.6171.900000109.8I37 W44 W47 P63 L64 W66A7-I37 VanDerWaalsContact CA-O 3.25Å; A7-I37 WeakPolarHBondContact CA-O 3.46Å; A7-I37 HydrophobicContact CB-CB 3.88Å; A7-I37 HydrophobicContact CB-CG2 4.4Å; A7-W44 WeakPolarHBondContact O-CH2 3.5Å; A7-W47 HydrophobicContact CB-CH2 3.28Å; A7-W47 HydrophobicContact CB-CZ2 4.14Å; A7-W47 HydrophobicContact CB-CZ3 3.66Å; A7-P63 CarbonylContact O-C 3.56Å; A7-P63 VanDerWaalsContact O-CA 3.25Å; A7-P63 WeakPolarHBondContact O-CA 3.21Å; A7-P63 VanDerWaalsContact O-CB 3.24Å; A7-P63 WeakPolarHBondContact O-CB 3.43Å; A7-L64 PolarHBondContact N-O 3.15Å; A7-L64 PolarHBondContact O-N 3.42Å; A7-W66 HydrophobicContact CB-CH2 4.09Å; A7-W66 HydrophobicContact CB-CZ3 3.76Å
8G95.3Very high91.9Very high0 Ų026.4 Ų26.40%014%0.14CC..EExtended strand (participates in β ladder)trans-161.8161.1-178.600000113.2A10 I37 V39 S62G8-A10 PolarHBondContact O-N 3.22Å; G8-I37 PolarHBondContact N-O 3.21Å; G8-I37 VanDerWaalsContact N-O 3.08Å; G8-V39 PolarHBondContact O-N 3.49Å; G8-S62 WeakPolarHBondContact CA-OG 3.43Å
9K96.1Very high91.9Very high67 Ų6725.8 Ų25.829%0.29114%0.136SC..EExtended strand (participates in β ladder)trans-59129.6168.7-80.4-174.7-82.6-176.60109.7D11 C12 Y15 V39 W44 S62K9-D11 WeakPolarHBondContact CB-OD1 3.26Å; K9-D11 PolarHBondContact O-N 3.11Å; K9-C12 HydrophobicContact CB-CB 3.63Å; K9-C12 VanDerWaalsContact O-CB 3.27Å; K9-C12 WeakPolarHBondContact O-CB 3.48Å; K9-C12 PolarHBondContact O-N 3Å; K9-Y15 VanDerWaalsContact O-CD1 3.31Å; K9-Y15 WeakPolarHBondContact O-CD1 3.41Å; K9-V39 CarbonylContact C-O 3.59Å; K9-V39 WeakPolarHBondContact CA-O 3.21Å; K9-W44 HydrophobicContact CD-CB 3.83Å; K9-W44 HydrophobicContact CD-CD2 4.31Å; K9-W44 HydrophobicContact CD-CG 3.62Å; K9-W44 HydrophobicContact CG-CB 3.43Å; K9-W44 VanDerWaalsContact CG-CB 3.43Å; K9-W44 HydrophobicContact CG-CD2 3.53Å; K9-W44 HydrophobicContact CG-CE3 4.03Å; K9-W44 HydrophobicContact CG-CG 3.22Å; K9-S62 PolarHBondContact N-OG 3.46Å
10A93.8Very high91.9Very high0 Ų028.6 Ų28.60%014%0.144CC..THydrogen-bonded Turntrans-61.2-27-179.400000112.8G8 V39 N111 L112 Q115G8-A10 PolarHBondContact O-N 3.22Å; A10-V39 PolarHBondContact N-O 3.32Å; A10-N111 WeakPolarHBondContact O-CB 3.34Å; A10-L112 HydrophobicContact CB-CD1 4.09Å; A10-Q115 HydrophobicContact CB-CB 4.37Å; A10-Q115 HydrophobicContact CB-CG 3.82Å
11D94.6Very high91.9Very high65 Ų6527.3 Ų27.335%0.34814%0.138SC..THydrogen-bonded Turntrans-93.89177.173.7-16.9000114K9 P13 P41 V108 L112K9-D11 WeakPolarHBondContact CB-OD1 3.26Å; K9-D11 PolarHBondContact O-N 3.11Å; D11-P13 WeakPolarHBondContact O-CD 3.37Å; D11-P41 HydrophobicContact CB-CG 3.79Å; D11-P41 WeakPolarHBondContact OD1-CG 3.41Å; D11-P41 WeakPolarHBondContact OD2-CB 3.47Å; D11-P41 VanDerWaalsContact OD2-CG 3.28Å; D11-P41 WeakPolarHBondContact OD2-CG 3.46Å; D11-V108 VanDerWaalsContact C-CG1 3.48Å; D11-V108 WeakPolarHBondContact O-CG1 3.07Å; D11-L112 HydrophobicContact CB-CD2 4.32Å
12C94.7Very high92.9Very high16 Ų1623.2 Ų23.211%0.10812%0.118CC..  trans-91.8123.4-173.4177.30000112.4K9 L14 Y15 A16 S62K9-C12 HydrophobicContact CB-CB 3.63Å; K9-C12 VanDerWaalsContact O-CB 3.27Å; K9-C12 WeakPolarHBondContact O-CB 3.48Å; K9-C12 PolarHBondContact O-N 3Å; C12-L14 VanDerWaalsContact C-N 3.32Å; C12-L14 PolarHBondContact O-N 2.98Å; C12-Y15 WeakPolarHBondContact O-CB 3.49Å; C12-Y15 PolarHBondContact O-N 2.79Å; C12-Y15 VanDerWaalsContact O-N 3.14Å; C12-A16 PolarHBondContact O-N 3.29Å; C12-A16 VanDerWaalsContact O-N 3.08Å; C12-S62 PolarHBondContact SG-OG 3.47Å
13P93.8Very high93.6Very high65 Ų6524 Ų2442%0.42212%0.119SC..Hα-helixtrans-60.1-38.6176.7-24.634000113.5D11 Y15 A16 Q17 L104 V108D11-P13 WeakPolarHBondContact O-CD 3.37Å; P13-Y15 VanDerWaalsContact C-N 3.3Å; P13-Y15 PolarHBondContact O-N 2.89Å; P13-A16 PolarHBondContact O-N 3.45Å; P13-Q17 WeakPolarHBondContact O-CG 3.37Å; P13-Q17 PolarHBondContact O-N 3.25Å; P13-L104 HydrophobicContact CB-CD1 4.46Å; P13-L104 HydrophobicContact CB-CD2 4.01Å; P13-L104 HydrophobicContact CB-CG 4.33Å; P13-V108 HydrophobicContact CB-CG2 4.34Å; P13-V108 HydrophobicContact CG-CG2 4.36Å
14L94.1Very high93.6Very high64 Ų6423.9 Ų23.934%0.33512%0.123SC..Hα-helixtrans-67.9-32.1178.9-60.8-179.7000112.1C12 A18 Y82C12-L14 VanDerWaalsContact C-N 3.32Å; C12-L14 PolarHBondContact O-N 2.98Å; L14-A18 WeakPolarHBondContact O-CB 3.32Å; L14-A18 PolarHBondContact O-N 3.37Å; L14-Y82 HydrophobicContact CB-CG 4.29Å; L14-Y82 HydrophobicContact CD2-CD1 3.81Å; L14-Y82 HydrophobicContact CD2-CE1 4.32Å; L14-Y82 HydrophobicContact CD2-CG 4.36Å; L14-Y82 WeakPolarHBondContact O-CD2 3.49Å
15Y94.8Very high93.4Very high0 Ų023.7 Ų23.70%012%0.122CC..Hα-helixtrans-68.9-48173.9177.7-122.7000111.1L6 K9 C12 P13 Q17 A18 E19 I37 P38 P63L6-Y15 HydrophobicContact CB-CE2 4.17Å; K9-Y15 VanDerWaalsContact O-CD1 3.31Å; K9-Y15 WeakPolarHBondContact O-CD1 3.41Å; C12-Y15 WeakPolarHBondContact O-CB 3.49Å; C12-Y15 PolarHBondContact O-N 2.79Å; C12-Y15 VanDerWaalsContact O-N 3.14Å; P13-Y15 VanDerWaalsContact C-N 3.3Å; P13-Y15 PolarHBondContact O-N 2.89Å; Y15-Q17 VanDerWaalsContact C-N 3.26Å; Y15-Q17 PolarHBondContact O-N 3.08Å; Y15-A18 WeakPolarHBondContact O-CA 3.49Å; Y15-A18 WeakPolarHBondContact O-CB 3.35Å; Y15-A18 PolarHBondContact O-N 2.71Å; Y15-E19 HydrophobicContact CD1-CG 4.48Å; Y15-E19 HydrophobicContact CD2-CG 4.13Å; Y15-E19 VanDerWaalsContact CE1-CD 3.48Å; Y15-E19 HydrophobicContact CE1-CG 4.11Å; Y15-E19 VanDerWaalsContact CE1-OE2 3.28Å; Y15-E19 WeakPolarHBondContact CE1-OE2 3.25Å; Y15-E19 HydrophobicContact CE2-CG 3.75Å; Y15-E19 VanDerWaalsContact CZ-CD 3.45Å; Y15-E19 WeakPolarHBondContact O-CG 3.35Å; Y15-E19 PolarHBondContact O-N 3.14Å; Y15-E19 PolarHBondContact OH-OE1 2.84Å; Y15-I37 PolarHBondContact OH-N 2.85Å; Y15-P38 HydrophobicContact CE1-CB 4.07Å; Y15-P63 HydrophobicContact CD2-CB 3.72Å; Y15-P63 HydrophobicContact CG-CB 4.36Å
16A93.3Very high93.3Very high0 Ų027.9 Ų27.90%014%0.142CC..Hα-helixtrans-55.9-41.1174.900000112.2C12 P13 E19 R20 L104 I107 V108C12-A16 PolarHBondContact O-N 3.29Å; C12-A16 VanDerWaalsContact O-N 3.08Å; P13-A16 PolarHBondContact O-N 3.45Å; A16-E19 PolarHBondContact O-N 3.32Å; A16-R20 PolarHBondContact O-N 3.43Å; A16-L104 HydrophobicContact CB-CD1 3.81Å; A16-I107 HydrophobicContact CB-CB 4.41Å; A16-I107 HydrophobicContact CB-CG2 3.71Å; A16-V108 HydrophobicContact CB-CG2 3.72Å
17Q92.7Very high93Very high37 Ų3737.3 Ų37.317%0.17318%0.177CC..Hα-helixtrans-63.4-44174.1-70.8-178.824.900112.7P13 Y15 R20 L21 Y82 I99 L104P13-Q17 WeakPolarHBondContact O-CG 3.37Å; P13-Q17 PolarHBondContact O-N 3.25Å; Y15-Q17 VanDerWaalsContact C-N 3.26Å; Y15-Q17 PolarHBondContact O-N 3.08Å; Q17-R20 PolarHBondContact O-N 3.02Å; Q17-L21 WeakPolarHBondContact O-CB 3.24Å; Q17-L21 PolarHBondContact O-N 2.9Å; Q17-L21 VanDerWaalsContact O-N 3.08Å; Q17-Y82 HydrophobicContact CB-CD2 4.18Å; Q17-Y82 HydrophobicContact CB-CE1 4.44Å; Q17-Y82 HydrophobicContact CB-CE2 3.48Å; Q17-Y82 VanDerWaalsContact CB-CE2 3.48Å; Q17-Y82 VanDerWaalsContact OE1-CE1 3.24Å; Q17-Y82 PolarHBondContact OE1-OH 3.02Å; Q17-I99 HydrophobicContact CB-CD1 4.37Å; Q17-I99 HydrophobicContact CG-CD1 4.01Å; Q17-I99 HydrophobicContact CG-CG1 4.45Å; Q17-L104 HydrophobicContact CG-CD1 3.72Å; Q17-L104 HydrophobicContact CG-CD2 4.23Å
18A93.4Very high92.6Very high0 Ų041.7 Ų41.70%020%0.204CC..Hα-helixtrans-60.9-44.3176.300000111.7L6 L14 Y15 L21 A22 P63 I65 Y82 F85L6-A18 HydrophobicContact CD2-CB 3.73Å; L6-A18 WeakPolarHBondContact CD2-O 3.48Å; L14-A18 WeakPolarHBondContact O-CB 3.32Å; L14-A18 PolarHBondContact O-N 3.37Å; Y15-A18 WeakPolarHBondContact O-CA 3.49Å; Y15-A18 WeakPolarHBondContact O-CB 3.35Å; Y15-A18 PolarHBondContact O-N 2.71Å; A18-L21 PolarHBondContact O-N 3.18Å; A18-A22 WeakPolarHBondContact O-CB 3.25Å; A18-A22 PolarHBondContact O-N 2.87Å; A18-P63 HydrophobicContact CB-CG 4.08Å; A18-I65 HydrophobicContact CB-CD1 3.9Å; A18-Y82 HydrophobicContact CB-CD2 3.89Å; A18-Y82 HydrophobicContact CB-CE2 4.49Å; A18-F85 HydrophobicContact CB-CD1 4.34Å
19E92.8Very high92.3Very high14 Ų1444.2 Ų44.27%0.06522%0.217CC..Hα-helixtrans-62-45.9179.2-73.5-169.799.500112.2Y15 A16 L21 A22 D23 K36 N111Y15-E19 HydrophobicContact CD1-CG 4.48Å; Y15-E19 HydrophobicContact CD2-CG 4.13Å; Y15-E19 VanDerWaalsContact CE1-CD 3.48Å; Y15-E19 HydrophobicContact CE1-CG 4.11Å; Y15-E19 VanDerWaalsContact CE1-OE2 3.28Å; Y15-E19 WeakPolarHBondContact CE1-OE2 3.25Å; Y15-E19 HydrophobicContact CE2-CG 3.75Å; Y15-E19 VanDerWaalsContact CZ-CD 3.45Å; Y15-E19 WeakPolarHBondContact O-CG 3.35Å; Y15-E19 PolarHBondContact O-N 3.14Å; Y15-E19 PolarHBondContact OH-OE1 2.84Å; A16-E19 PolarHBondContact O-N 3.32Å; E19-L21 PolarHBondContact O-N 3.43Å; E19-A22 PolarHBondContact O-N 3.33Å; E19-D23 VanDerWaalsContact O-CG 3.28Å; E19-D23 PolarHBondContact O-N 3.48Å; E19-K36 HydrophobicContact CG-CD 4.32Å; E19-K36 HydrophobicContact CG-CG 4.36Å; E19-K36 VanDerWaalsContact OE1-CD 3.28Å; E19-K36 WeakPolarHBondContact OE1-CD 3.28Å; E19-K36 IonicContact OE1-NZ 3.23Å; E19-N111 PolarHBondContact OE2-ND2 3.39Å
20R90.6Very high91.7Very high82 Ų8247.4 Ų47.431%0.30925%0.245SC..Hα-helixtrans-63.3-41.6178.3-175.360.3162.4-167.4-11.5112.3A16 Q17 A22 D23 T24 I99 E103A16-R20 PolarHBondContact O-N 3.43Å; Q17-R20 PolarHBondContact O-N 3.02Å; R20-A22 VanDerWaalsContact C-N 3.32Å; R20-D23 PolarHBondContact O-N 2.86Å; R20-T24 WeakPolarHBondContact O-CB 3.33Å; R20-T24 PolarHBondContact O-N 3.06Å; R20-T24 PolarHBondContact O-OG1 3.16Å; R20-I99 HydrophobicContact CB-CD1 3.46Å; R20-I99 VanDerWaalsContact CB-CD1 3.46Å; R20-I99 HydrophobicContact CB-CG1 4.28Å; R20-I99 HydrophobicContact CG-CD1 3.62Å; R20-I99 HydrophobicContact CG-CG1 3.98Å; R20-E103 IonicContact CZ-OE1 2.76Å; R20-E103 IonicContact NH2-OE1 3.67Å; R20-E103 PolarHBondContact NH2-OE1 3.2Å
21L91.6Very high91.3Very high1 Ų151.4 Ų51.41%0.00527%0.273CS..Hα-helixtrans-61.8-44.6174.9176.960.1000110.2Q17 A18 E19 T24 L25 F85 V86 C89 V95Q17-L21 WeakPolarHBondContact O-CB 3.24Å; Q17-L21 PolarHBondContact O-N 2.9Å; Q17-L21 VanDerWaalsContact O-N 3.08Å; A18-L21 PolarHBondContact O-N 3.18Å; E19-L21 PolarHBondContact O-N 3.43Å; L21-T24 WeakPolarHBondContact O-CB 3.34Å; L21-T24 PolarHBondContact O-N 3.38Å; L21-L25 HydrophobicContact CD1-CD1 4.44Å; L21-L25 HydrophobicContact CG-CD1 4.31Å; L21-L25 WeakPolarHBondContact O-CG 3.37Å; L21-L25 PolarHBondContact O-N 3.12Å; L21-F85 HydrophobicContact CB-CE1 4.34Å; L21-F85 HydrophobicContact CD2-CD1 3.99Å; L21-F85 HydrophobicContact CD2-CE1 3.87Å; L21-F85 HydrophobicContact CG-CE1 4.08Å; L21-V86 HydrophobicContact CD2-CG2 3.95Å; L21-C89 HydrophobicContact CD2-CB 4.03Å; L21-V95 HydrophobicContact CD1-CG1 3.88Å
22A92.1Very high91.1Very high0 Ų048.8 Ų48.80%026%0.258CS..Hα-helixtrans-65.9-38.8178.200000112.8L6 A18 E19 R20 T24 L25 Q26 F32 V34 F85L6-A22 HydrophobicContact CD2-CB 3.75Å; A18-A22 WeakPolarHBondContact O-CB 3.25Å; A18-A22 PolarHBondContact O-N 2.87Å; E19-A22 PolarHBondContact O-N 3.33Å; R20-A22 VanDerWaalsContact C-N 3.32Å; A22-T24 VanDerWaalsContact C-N 3.33Å; A22-L25 PolarHBondContact O-N 3.09Å; A22-Q26 WeakPolarHBondContact O-CB 3.47Å; A22-Q26 PolarHBondContact O-N 3.45Å; A22-F32 HydrophobicContact CB-CE1 4.4Å; A22-V34 HydrophobicContact CB-CB 4.33Å; A22-V34 HydrophobicContact CB-CG2 3.68Å; A22-F85 HydrophobicContact CB-CE1 4.3Å; A22-F85 HydrophobicContact CB-CZ 4.13Å
23D91Very high90.9Very high37 Ų3751.9 Ų51.920%0.19827%0.27CS..Hα-helixtrans-64.1-39.6174.5-73-22.8000111.8E19 R20 Q26 R27 K36E19-D23 VanDerWaalsContact O-CG 3.28Å; E19-D23 PolarHBondContact O-N 3.48Å; R20-D23 PolarHBondContact O-N 2.86Å; D23-Q26 PolarHBondContact O-N 3.47Å; D23-R27 WeakPolarHBondContact O-CB 3.25Å; D23-R27 VanDerWaalsContact O-CG 3.28Å; D23-R27 WeakPolarHBondContact O-CG 3.29Å; D23-R27 PolarHBondContact O-N 2.82Å; D23-K36 WeakPolarHBondContact OD1-CE 3.43Å; D23-K36 IonicContact OD1-NZ 2.61Å; D23-K36 PolarHBondContact OD1-NZ 2.97Å; D23-K36 IonicContact OD2-NZ 3.92Å; D23-K36 PolarHBondContact OD2-NZ 3.3Å
24T89.8Confident90.8Very high49 Ų4949.8 Ų49.830%0.30126%0.256SS..Hα-helixtrans-62.1-46175.6-57.60000110.5R20 L21 A22 R27 T28 V95R20-T24 WeakPolarHBondContact O-CB 3.33Å; R20-T24 PolarHBondContact O-N 3.06Å; R20-T24 PolarHBondContact O-OG1 3.16Å; L21-T24 WeakPolarHBondContact O-CB 3.34Å; L21-T24 PolarHBondContact O-N 3.38Å; A22-T24 VanDerWaalsContact C-N 3.33Å; T24-R27 PolarHBondContact O-N 3.39Å; T24-T28 WeakPolarHBondContact O-CB 3.39Å; T24-T28 PolarHBondContact O-N 3.29Å; T24-T28 PolarHBondContact O-OG1 2.84Å; T24-V95 HydrophobicContact CG2-CG1 4.45Å
25L90.6Very high90.8Very high0 Ų050.6 Ų50.60%026%0.258CS..Hα-helixtrans-63.7-43.9176.2-72.3167.1000112L21 A22 R27 T28 L29 F32 F85 C89 Y93 V95L21-L25 HydrophobicContact CD1-CD1 4.44Å; L21-L25 HydrophobicContact CG-CD1 4.31Å; L21-L25 WeakPolarHBondContact O-CG 3.37Å; L21-L25 PolarHBondContact O-N 3.12Å; A22-L25 PolarHBondContact O-N 3.09Å; L25-R27 VanDerWaalsContact C-N 3.31Å; L25-R27 PolarHBondContact O-N 3.15Å; L25-T28 PolarHBondContact O-N 3.29Å; L25-L29 HydrophobicContact CD2-CD1 3.78Å; L25-L29 VanDerWaalsContact O-CB 3.27Å; L25-L29 WeakPolarHBondContact O-CB 3.41Å; L25-L29 PolarHBondContact O-N 2.92Å; L25-F32 HydrophobicContact CB-CD1 3.75Å; L25-F32 HydrophobicContact CB-CD2 4.18Å; L25-F32 HydrophobicContact CB-CE1 3.73Å; L25-F32 HydrophobicContact CB-CE2 4.16Å; L25-F32 HydrophobicContact CB-CG 3.98Å; L25-F32 HydrophobicContact CB-CZ 3.95Å; L25-F32 HydrophobicContact CD1-CE1 4.31Å; L25-F32 HydrophobicContact CD1-CE2 3.91Å; L25-F32 HydrophobicContact CD1-CZ 3.74Å; L25-F32 HydrophobicContact CG-CZ 4.49Å; L25-F85 HydrophobicContact CD1-CZ 4.47Å; L25-C89 HydrophobicContact CD1-CB 4.04Å; L25-C89 WeakPolarHBondContact CD1-SG 3.28Å; L25-Y93 HydrophobicContact CD1-CD2 4.26Å; L25-Y93 HydrophobicContact CD2-CD2 4.03Å; L25-Y93 HydrophobicContact CD2-CG 3.94Å; L25-V95 HydrophobicContact CD2-CB 3.89Å; L25-V95 HydrophobicContact CD2-CG1 4.32Å; L25-V95 HydrophobicContact CD2-CG2 3.7Å
26Q91.8Very high90.7Very high89 Ų8953.6 Ų53.642%0.41627%0.271SS..Hα-helixtrans-63.1-36.6178.6-173.1173.115.800112.5A22 D23 F32A22-Q26 WeakPolarHBondContact O-CB 3.47Å; A22-Q26 PolarHBondContact O-N 3.45Å; D23-Q26 PolarHBondContact O-N 3.47Å; Q26-F32 HydrophobicContact CB-CD1 4.18Å
27R89.2Confident90.8Very high197 Ų19755.5 Ų55.574%0.74328%0.281SS*.Hα-helixtrans-71-33.1174.9-71.6174.3-171.6-178.83.4112.8D23 T24 L25D23-R27 WeakPolarHBondContact O-CB 3.25Å; D23-R27 VanDerWaalsContact O-CG 3.28Å; D23-R27 WeakPolarHBondContact O-CG 3.29Å; D23-R27 PolarHBondContact O-N 2.82Å; T24-R27 PolarHBondContact O-N 3.39Å; L25-R27 VanDerWaalsContact C-N 3.31Å; L25-R27 PolarHBondContact O-N 3.15Å
28T88.3Confident90.8Very high92 Ų9255.4 Ų55.456%0.56428%0.283SS*.Hα-helixtrans-90.7-29-173-500000112.5T24 L25T24-T28 WeakPolarHBondContact O-CB 3.39Å; T24-T28 PolarHBondContact O-N 3.29Å; T24-T28 PolarHBondContact O-OG1 2.84Å; L25-T28 PolarHBondContact O-N 3.29Å
29L88.8Confident90.8Very high53 Ų5355.8 Ų55.828%0.27729%0.285SS..  trans-118.6109.6-172.6-59.7175.8000110.4L25 S31 F32 Y93L25-L29 HydrophobicContact CD2-CD1 3.78Å; L25-L29 VanDerWaalsContact O-CB 3.27Å; L25-L29 WeakPolarHBondContact O-CB 3.41Å; L25-L29 PolarHBondContact O-N 2.92Å; L29-S31 PolarHBondContact O-N 3.43Å; L29-F32 HydrophobicContact CB-CB 3.71Å; L29-F32 HydrophobicContact CD1-CB 4.37Å; L29-F32 HydrophobicContact CD1-CD2 4.42Å; L29-F32 PolarHBondContact O-N 2.89Å; L29-Y93 HydrophobicContact CD1-CD1 3.38Å; L29-Y93 HydrophobicContact CD1-CE1 3.86Å; L29-Y93 HydrophobicContact CD1-CG 3.83Å
30P84.3Confident90.8Very high134 Ų13456.3 Ų56.387%0.8729%0.289SS*.THydrogen-bonded Turntrans-58.1-26.4-175.6-25.232.7000114.7
31S85.6Confident90.9Very high84 Ų8454.4 Ų54.459%0.58729%0.287SS*.THydrogen-bonded Turntrans-99.30.9-177.1-62.50000113.9M1 L29M1-S31 WeakPolarHBondContact CE-O 3.17Å; L29-S31 PolarHBondContact O-N 3.43Å
32F89.2Confident91Very high10 Ų1059.5 Ų59.54%0.04432%0.322CS..  trans-85.3118.2179-169.4-87.7000109.7F4 A22 L25 Q26 L29 V34 F85 Y93F4-F32 HydrophobicContact CB-CZ 4.39Å; F4-F32 HydrophobicContact CD2-CD2 4.15Å; F4-F32 HydrophobicContact CD2-CE1 4.38Å; F4-F32 AromaticContact CD2-CE2 3.41Å; F4-F32 HydrophobicContact CD2-CE2 3.41Å; F4-F32 VanDerWaalsContact CD2-CE2 3.41Å; F4-F32 AromaticContact CD2-CZ 3.55Å; F4-F32 HydrophobicContact CD2-CZ 3.55Å; F4-F32 AromaticContact CE2-CD2 4Å; F4-F32 HydrophobicContact CE2-CD2 4Å; F4-F32 AromaticContact CE2-CE2 3.37Å; F4-F32 HydrophobicContact CE2-CE2 3.37Å; F4-F32 AromaticContact CE2-CZ 3.99Å; F4-F32 HydrophobicContact CE2-CZ 3.99Å; F4-F32 HydrophobicContact CG-CE2 4.26Å; F4-F32 HydrophobicContact CG-CZ 4.04Å; F4-F32 HydrophobicContact CZ-CE2 4.17Å; A22-F32 HydrophobicContact CB-CE1 4.4Å; L25-F32 HydrophobicContact CB-CD1 3.75Å; L25-F32 HydrophobicContact CB-CD2 4.18Å; L25-F32 HydrophobicContact CB-CE1 3.73Å; L25-F32 HydrophobicContact CB-CE2 4.16Å; L25-F32 HydrophobicContact CB-CG 3.98Å; L25-F32 HydrophobicContact CB-CZ 3.95Å; L25-F32 HydrophobicContact CD1-CE1 4.31Å; L25-F32 HydrophobicContact CD1-CE2 3.91Å; L25-F32 HydrophobicContact CD1-CZ 3.74Å; L25-F32 HydrophobicContact CG-CZ 4.49Å; Q26-F32 HydrophobicContact CB-CD1 4.18Å; L29-F32 HydrophobicContact CB-CB 3.71Å; L29-F32 HydrophobicContact CD1-CB 4.37Å; L29-F32 HydrophobicContact CD1-CD2 4.42Å; L29-F32 PolarHBondContact O-N 2.89Å; F32-V34 HydrophobicContact CE1-CB 4.27Å; F32-F85 HydrophobicContact CZ-CZ 4.37Å; F32-Y93 HydrophobicContact CD2-CE1 4.46Å; F32-Y93 HydrophobicContact CD2-CE2 4.04Å; F32-Y93 AromaticContact CD2-CZ 3.9Å; F32-Y93 HydrophobicContact CE2-CD2 4.38Å; F32-Y93 AromaticContact CE2-CE2 3.69Å; F32-Y93 HydrophobicContact CE2-CE2 3.69Å; F32-Y93 AromaticContact CE2-CZ 3.98Å
33K90.6Very high91.1Very high82 Ų8264.7 Ų64.736%0.35735%0.347SS..EExtended strand (participates in β ladder)trans-113.5130.9178.2-68.1-175.81741780109.4M1 K3 F4M1-K33 HydrophobicContact CE-CD 4.19Å; M1-K33 HydrophobicContact CE-CG 4.25Å; M1-K33 HydrophobicContact SD-CD 4.03Å; M1-K33 WeakPolarHBondContact SD-CE 3.46Å; K3-K33 CarbonylContact C-O 3.56Å; K3-K33 WeakPolarHBondContact CA-O 3.43Å; K3-K33 HydrophobicContact CB-CB 4.17Å; K3-K33 HydrophobicContact CG-CB 4.05Å; F4-K33 PolarHBondContact N-O 2.95Å
34V92.8Very high91.3Very high20 Ų2063.2 Ų63.212%0.12134%0.338CS..EExtended strand (participates in β ladder)trans-118.4145.5175.476.20000110.7F4 L6 A22 F32 K36F4-V34 CarbonylContact O-C 3.57Å; F4-V34 VanDerWaalsContact O-CA 3.28Å; F4-V34 WeakPolarHBondContact O-CA 3.41Å; L6-V34 HydrophobicContact CD1-CG2 3.57Å; L6-V34 HydrophobicContact CD2-CG2 4.48Å; A22-V34 HydrophobicContact CB-CB 4.33Å; A22-V34 HydrophobicContact CB-CG2 3.68Å; F32-V34 HydrophobicContact CE1-CB 4.27Å; V34-K36 HydrophobicContact CG2-CG 4.42Å
35H92.9Very high91.5Very high82 Ų8268.7 Ų68.738%0.3836%0.361SS..EExtended strand (participates in β ladder)trans-115.7136.1160.9-157.425.9000108.3K3 F4 V5 L6K3-H35 HydrophobicContact CD-CB 4.16Å; K3-H35 PolarHBondContact NZ-ND1 2.89Å; F4-H35 PolarHBondContact O-N 2.9Å; V5-H35 WeakPolarHBondContact CA-O 3.46Å; V5-H35 HydrophobicContact CB-CB 4.24Å; V5-H35 HydrophobicContact CG1-CB 4.03Å; V5-H35 HydrophobicContact CG2-CB 3.92Å; L6-H35 PolarHBondContact N-O 3.21Å
36K94.4Very high91.7Very high62 Ų6277.8 Ų77.827%0.2740%0.395SS..EExtended strand (participates in β ladder)trans-113.9128.2175.3-61.8165.3167.1-156.80107.5L6 E19 D23 V34 P38L6-K36 CarbonylContact O-C 3.42Å; L6-K36 WeakPolarHBondContact O-CA 3.31Å; E19-K36 HydrophobicContact CG-CD 4.32Å; E19-K36 HydrophobicContact CG-CG 4.36Å; E19-K36 VanDerWaalsContact OE1-CD 3.28Å; E19-K36 WeakPolarHBondContact OE1-CD 3.28Å; E19-K36 IonicContact OE1-NZ 3.23Å; D23-K36 WeakPolarHBondContact OD1-CE 3.43Å; D23-K36 IonicContact OD1-NZ 2.61Å; D23-K36 PolarHBondContact OD1-NZ 2.97Å; D23-K36 IonicContact OD2-NZ 3.92Å; D23-K36 PolarHBondContact OD2-NZ 3.3Å; V34-K36 HydrophobicContact CG2-CG 4.42Å; K36-P38 VanDerWaalsContact C-CD 3.48Å; K36-P38 WeakPolarHBondContact O-CD 3.44Å
37I93.8Very high91.9Very high41 Ų4176.7 Ų76.721%0.2139%0.387CS..EExtended strand (participates in β ladder)trans-119.984.2176-54.4176.3000107.1V5 L6 A7 G8 Y15 V39 W47 W66V5-I37 HydrophobicContact CG1-CD1 3.58Å; V5-I37 HydrophobicContact CG1-CG1 4.05Å; L6-I37 PolarHBondContact O-N 3.18Å; A7-I37 VanDerWaalsContact CA-O 3.25Å; A7-I37 WeakPolarHBondContact CA-O 3.46Å; A7-I37 HydrophobicContact CB-CB 3.88Å; A7-I37 HydrophobicContact CB-CG2 4.4Å; G8-I37 PolarHBondContact N-O 3.21Å; G8-I37 VanDerWaalsContact N-O 3.08Å; Y15-I37 PolarHBondContact OH-N 2.85Å; I37-V39 HydrophobicContact CG2-CG2 4.13Å; I37-W47 HydrophobicContact CG2-CZ2 3.98Å; I37-W66 HydrophobicContact CD1-CH2 3.99Å; I37-W66 HydrophobicContact CD1-CZ2 4.42Å
38P93.1Very high92.2Very high35 Ų3567.8 Ų67.823%0.22735%0.354CS..EExtended strand (participates in β ladder)trans-70.7134.8172.129.6-34.4000109.2Y15 K36 Q115Y15-P38 HydrophobicContact CE1-CB 4.07Å; K36-P38 VanDerWaalsContact C-CD 3.48Å; K36-P38 WeakPolarHBondContact O-CD 3.44Å; P38-Q115 VanDerWaalsContact CB-CD 3.46Å; P38-Q115 HydrophobicContact CB-CG 3.7Å; P38-Q115 HydrophobicContact CG-CG 4.07Å
39V93.4Very high92.5Very high8 Ų869.3 Ų69.35%0.04836%0.355CS..EExtended strand (participates in β ladder)trans-125.6140-178.1-177.20000108.6G8 K9 A10 I37 E43 W44 W47G8-V39 PolarHBondContact O-N 3.49Å; K9-V39 CarbonylContact C-O 3.59Å; K9-V39 WeakPolarHBondContact CA-O 3.21Å; A10-V39 PolarHBondContact N-O 3.32Å; I37-V39 HydrophobicContact CG2-CG2 4.13Å; V39-E43 HydrophobicContact CG1-CB 4.17Å; V39-W44 HydrophobicContact CB-CE3 3.84Å; V39-W44 HydrophobicContact CB-CZ3 4.31Å; V39-W44 HydrophobicContact CG1-CE3 4.13Å; V39-W44 HydrophobicContact CG2-CE3 4.09Å; V39-W44 HydrophobicContact CG2-CZ3 4.11Å; V39-W47 HydrophobicContact CG1-CB 4.06Å; V39-W47 HydrophobicContact CG1-CG 4.12Å; V39-W47 HydrophobicContact CG2-CD2 3.93Å; V39-W47 HydrophobicContact CG2-CE3 4.24Å; V39-W47 HydrophobicContact CG2-CG 4.2Å
40L93.6Very high92.8Very high25 Ų2571.8 Ų71.813%0.13137%0.368CS..  trans-60.9142.4176.1-78.9179.9000111.1S42 E43 W44 L112 Q115 L116 I119L40-S42 PolarHBondContact O-N 3.45Å; L40-S42 VanDerWaalsContact O-N 3.16Å; L40-E43 HydrophobicContact CB-CB 4.39Å; L40-E43 HydrophobicContact CB-CG 4.2Å; L40-E43 PolarHBondContact O-N 3.34Å; L40-W44 PolarHBondContact O-N 2.85Å; L40-W44 VanDerWaalsContact O-N 3.1Å; L40-L112 HydrophobicContact CD2-CD1 4.27Å; L40-Q115 HydrophobicContact CD2-CB 4.42Å; L40-L116 HydrophobicContact CD2-CD2 3.91Å; L40-L116 HydrophobicContact CD2-CG 4.45Å; L40-I119 HydrophobicContact CD1-CD1 3.39Å; L40-I119 HydrophobicContact CD2-CD1 4.19Å; L40-I119 HydrophobicContact CG-CD1 3.77Å
41P92.8Very high93.2Very high42 Ų4266.5 Ų66.527%0.27333%0.333SS..THydrogen-bonded Turntrans-56.5-36.1-179.8-25.535.4000113D11 E43 L112D11-P41 HydrophobicContact CB-CG 3.79Å; D11-P41 WeakPolarHBondContact OD1-CG 3.41Å; D11-P41 WeakPolarHBondContact OD2-CB 3.47Å; D11-P41 VanDerWaalsContact OD2-CG 3.28Å; D11-P41 WeakPolarHBondContact OD2-CG 3.46Å; P41-E43 VanDerWaalsContact C-N 3.3Å; P41-E43 PolarHBondContact O-N 3.06Å; P41-L112 HydrophobicContact CG-CD1 4.1Å
42S93.7Very high93.6Very high107 Ų10762.9 Ų62.975%0.74831%0.308SS*.THydrogen-bonded Turntrans-68.9-22177.553.70000114.6L40L40-S42 PolarHBondContact O-N 3.45Å; L40-S42 VanDerWaalsContact O-N 3.16Å
43E93.1Very high93.8Very high110 Ų11068 Ų6851%0.51434%0.335SS..THydrogen-bonded Turntrans-103.8-13.8-176.6-61.9-171.9152.400112.7V39 L40 P41 E45 R46 W47V39-E43 HydrophobicContact CG1-CB 4.17Å; L40-E43 HydrophobicContact CB-CB 4.39Å; L40-E43 HydrophobicContact CB-CG 4.2Å; L40-E43 PolarHBondContact O-N 3.34Å; P41-E43 VanDerWaalsContact C-N 3.3Å; P41-E43 PolarHBondContact O-N 3.06Å; E43-E45 PolarHBondContact O-N 2.93Å; E43-R46 PolarHBondContact O-N 3.24Å; E43-W47 VanDerWaalsContact O-CB 3.31Å; E43-W47 WeakPolarHBondContact O-CB 3.19Å; E43-W47 PolarHBondContact O-N 2.71Å
44W94.8Very high93.9Very high6 Ų672.9 Ų72.92%0.02336%0.357CS..Hα-helixtrans-55-49.7-170.5175.3-105.5000114.2A7 K9 V39 L40 R46 W47 L48 E61 L64A7-W44 WeakPolarHBondContact O-CH2 3.5Å; K9-W44 HydrophobicContact CD-CB 3.83Å; K9-W44 HydrophobicContact CD-CD2 4.31Å; K9-W44 HydrophobicContact CD-CG 3.62Å; K9-W44 HydrophobicContact CG-CB 3.43Å; K9-W44 VanDerWaalsContact CG-CB 3.43Å; K9-W44 HydrophobicContact CG-CD2 3.53Å; K9-W44 HydrophobicContact CG-CE3 4.03Å; K9-W44 HydrophobicContact CG-CG 3.22Å; V39-W44 HydrophobicContact CB-CE3 3.84Å; V39-W44 HydrophobicContact CB-CZ3 4.31Å; V39-W44 HydrophobicContact CG1-CE3 4.13Å; V39-W44 HydrophobicContact CG2-CE3 4.09Å; V39-W44 HydrophobicContact CG2-CZ3 4.11Å; L40-W44 PolarHBondContact O-N 2.85Å; L40-W44 VanDerWaalsContact O-N 3.1Å; W44-R46 PolarHBondContact O-N 3.38Å; W44-W47 HydrophobicContact CE3-CE3 4.25Å; W44-W47 HydrophobicContact CH2-CE3 4.47Å; W44-W47 HydrophobicContact CH2-CZ3 4.28Å; W44-W47 AromaticContact CZ3-CE3 3.89Å; W44-W47 HydrophobicContact CZ3-CE3 3.89Å; W44-W47 AromaticContact CZ3-CZ3 3.98Å; W44-W47 HydrophobicContact CZ3-CZ3 3.98Å; W44-W47 PolarHBondContact O-N 3.32Å; W44-L48 HydrophobicContact CH2-CD1 4.42Å; W44-L48 HydrophobicContact CZ2-CB 4.41Å; W44-L48 HydrophobicContact CZ2-CD1 4.07Å; W44-L48 HydrophobicContact CZ2-CD2 4.03Å; W44-L48 HydrophobicContact CZ2-CG 4.41Å; W44-L48 VanDerWaalsContact O-CB 3.23Å; W44-L48 WeakPolarHBondContact O-CB 3.2Å; W44-L48 PolarHBondContact O-N 3.06Å; W44-E61 WeakPolarHBondContact CZ2-O 3.47Å; W44-L64 HydrophobicContact CH2-CB 4.26Å
45E94.9Very high93.8Very high164 Ų16474 Ų7477%0.76636%0.362SS*.Hα-helixtrans-60.7-48.6-174.8-65.8178.6176.900111E43 L48 E49E43-E45 PolarHBondContact O-N 2.93Å; E45-L48 PolarHBondContact O-N 3.49Å; E45-E49 WeakPolarHBondContact O-CB 3.22Å; E45-E49 PolarHBondContact O-N 3Å
46R95.2Very high93.8Very high191 Ų19173.2 Ų73.272%0.72138%0.376SS*.Hα-helixtrans-63.4-44.1176.7-176.6-179.2178.7-176.80.2111.6E43 W44 L50E43-R46 PolarHBondContact O-N 3.24Å; W44-R46 PolarHBondContact O-N 3.38Å; R46-L50 HydrophobicContact CG-CD1 4.15Å; R46-L50 VanDerWaalsContact O-CG 3.32Å; R46-L50 WeakPolarHBondContact O-CG 3.42Å; R46-L50 PolarHBondContact O-N 3.43Å; R46-L50 VanDerWaalsContact O-N 3.12Å
47W95.8Very high93.8Very high65 Ų6571.5 Ų71.525%0.24637%0.368CS..Hα-helixtrans-62.9-43.4179.5-176.997000111.7A7 I37 V39 E43 W44 T51 L64 W66A7-W47 HydrophobicContact CB-CH2 3.28Å; A7-W47 HydrophobicContact CB-CZ2 4.14Å; A7-W47 HydrophobicContact CB-CZ3 3.66Å; I37-W47 HydrophobicContact CG2-CZ2 3.98Å; V39-W47 HydrophobicContact CG1-CB 4.06Å; V39-W47 HydrophobicContact CG1-CG 4.12Å; V39-W47 HydrophobicContact CG2-CD2 3.93Å; V39-W47 HydrophobicContact CG2-CE3 4.24Å; V39-W47 HydrophobicContact CG2-CG 4.2Å; E43-W47 VanDerWaalsContact O-CB 3.31Å; E43-W47 WeakPolarHBondContact O-CB 3.19Å; E43-W47 PolarHBondContact O-N 2.71Å; W44-W47 HydrophobicContact CE3-CE3 4.25Å; W44-W47 HydrophobicContact CH2-CE3 4.47Å; W44-W47 HydrophobicContact CH2-CZ3 4.28Å; W44-W47 AromaticContact CZ3-CE3 3.89Å; W44-W47 HydrophobicContact CZ3-CE3 3.89Å; W44-W47 AromaticContact CZ3-CZ3 3.98Å; W44-W47 HydrophobicContact CZ3-CZ3 3.98Å; W44-W47 PolarHBondContact O-N 3.32Å; W47-T51 HydrophobicContact CH2-CG2 3.99Å; W47-T51 HydrophobicContact CZ2-CG2 4.49Å; W47-T51 HydrophobicContact CZ3-CG2 4.29Å; W47-T51 VanDerWaalsContact O-CB 3.31Å; W47-T51 WeakPolarHBondContact O-CB 3.5Å; W47-T51 PolarHBondContact O-N 3.21Å; W47-T51 PolarHBondContact O-OG1 3.26Å; W47-L64 HydrophobicContact CZ3-CD2 4.45Å; W47-W66 HydrophobicContact CH2-CH2 4.28Å
48L95.7Very high93.8Very high10 Ų1079.2 Ų79.25%0.05240%0.4CS..Hα-helixtrans-64.9-47.6179.9-179.663.3000110.7W44 E45 L50 T51 C52 L64W44-L48 HydrophobicContact CH2-CD1 4.42Å; W44-L48 HydrophobicContact CZ2-CB 4.41Å; W44-L48 HydrophobicContact CZ2-CD1 4.07Å; W44-L48 HydrophobicContact CZ2-CD2 4.03Å; W44-L48 HydrophobicContact CZ2-CG 4.41Å; W44-L48 VanDerWaalsContact O-CB 3.23Å; W44-L48 WeakPolarHBondContact O-CB 3.2Å; W44-L48 PolarHBondContact O-N 3.06Å; E45-L48 PolarHBondContact O-N 3.49Å; L48-L50 PolarHBondContact O-N 3.26Å; L48-T51 PolarHBondContact O-N 2.94Å; L48-C52 WeakPolarHBondContact O-CB 3.29Å; L48-C52 PolarHBondContact O-N 3.14Å; L48-C52 PolarHBondContact O-SG 2.88Å; L48-L64 HydrophobicContact CD1-CB 4.11Å; L48-L64 HydrophobicContact CD1-CD2 3.81Å; L48-L64 HydrophobicContact CD1-CG 4.46Å
49E95.2Very high93.8Very high124 Ų12479.4 Ų79.458%0.57940%0.397SS*.Hα-helixtrans-58.1-50.4178.3-177.2-179.8-168.800111.7E45 T51 C52 N53E45-E49 WeakPolarHBondContact O-CB 3.22Å; E45-E49 PolarHBondContact O-N 3Å; E49-T51 VanDerWaalsContact C-N 3.31Å; E49-T51 PolarHBondContact O-N 3.47Å; E49-C52 PolarHBondContact O-N 2.92Å; E49-N53 VanDerWaalsContact O-CB 3.29Å; E49-N53 WeakPolarHBondContact O-CB 3.39Å; E49-N53 PolarHBondContact O-N 2.87Å; E49-N53 PolarHBondContact O-ND2 2.84Å
50L94.6Very high93.8Very high105 Ų10587.7 Ų87.755%0.5544%0.436SS..Hα-helixtrans-59.3-43.2177.9-72.3172.5000111.8R46 L48 K54R46-L50 HydrophobicContact CG-CD1 4.15Å; R46-L50 VanDerWaalsContact O-CG 3.32Å; R46-L50 WeakPolarHBondContact O-CG 3.42Å; R46-L50 PolarHBondContact O-N 3.43Å; R46-L50 VanDerWaalsContact O-N 3.12Å; L48-L50 PolarHBondContact O-N 3.26Å; L50-K54 VanDerWaalsContact O-CB 3.29Å; L50-K54 WeakPolarHBondContact O-CB 3.44Å; L50-K54 PolarHBondContact O-N 3.35Å
51T93.3Very high93.7Very high24 Ų2493.1 Ų93.115%0.14746%0.46CS..Hα-helixtrans-67.5-43.8-179.3-60.10000111.7W47 L48 E49 N55 W57 L64W47-T51 HydrophobicContact CH2-CG2 3.99Å; W47-T51 HydrophobicContact CZ2-CG2 4.49Å; W47-T51 HydrophobicContact CZ3-CG2 4.29Å; W47-T51 VanDerWaalsContact O-CB 3.31Å; W47-T51 WeakPolarHBondContact O-CB 3.5Å; W47-T51 PolarHBondContact O-N 3.21Å; W47-T51 PolarHBondContact O-OG1 3.26Å; L48-T51 PolarHBondContact O-N 2.94Å; E49-T51 VanDerWaalsContact C-N 3.31Å; E49-T51 PolarHBondContact O-N 3.47Å; T51-N55 PolarHBondContact O-N 2.79Å; T51-N55 PolarHBondContact O-ND2 3.4Å; T51-W57 HydrophobicContact CG2-CZ3 4.4Å; T51-L64 HydrophobicContact CG2-CD2 4.19Å
52C93.7Very high93.8Very high8 Ų891.6 Ų91.65%0.05445%0.45CS..Hα-helixtrans-64.9-45.3176.7-77.70000111.7L48 E49 K54 N55 G56 W57L48-C52 WeakPolarHBondContact O-CB 3.29Å; L48-C52 PolarHBondContact O-N 3.14Å; L48-C52 PolarHBondContact O-SG 2.88Å; E49-C52 PolarHBondContact O-N 2.92Å; C52-K54 PolarHBondContact O-N 3.39Å; C52-N55 PolarHBondContact O-N 3.21Å; C52-G56 WeakPolarHBondContact O-CA 3.39Å; C52-G56 PolarHBondContact O-N 3.03Å; C52-W57 HydrophobicContact CB-CB 4.49Å; C52-W57 PolarHBondContact O-N 3.35Å
53N93.5Very high93.9Very high116 Ų11686.5 Ų86.562%0.6242%0.415SS*.Hα-helixtrans-61.1-44.7177.8-74.3-22.2000111.7E49 N55 G56E49-N53 VanDerWaalsContact O-CB 3.29Å; E49-N53 WeakPolarHBondContact O-CB 3.39Å; E49-N53 PolarHBondContact O-N 2.87Å; E49-N53 PolarHBondContact O-ND2 2.84Å; N53-N55 VanDerWaalsContact C-N 3.28Å; N53-N55 PolarHBondContact O-N 2.61Å; N53-G56 PolarHBondContact O-N 3.22Å
54K91.5Very high94.1Very high186 Ų18681.2 Ų81.281%0.80939%0.39SS*.Hα-helixtrans-60-36.6177.8-176.2177.5179.81790112.8L50 C52L50-K54 VanDerWaalsContact O-CB 3.29Å; L50-K54 WeakPolarHBondContact O-CB 3.44Å; L50-K54 PolarHBondContact O-N 3.35Å; C52-K54 PolarHBondContact O-N 3.39Å
55N90.1Very high94.2Very high44 Ų4481 Ų8124%0.23539%0.389CS..Hα-helixtrans-98.6-9.4-175.2-69-76.4000114.2T51 C52 N53 W57 K75T51-N55 PolarHBondContact O-N 2.79Å; T51-N55 PolarHBondContact O-ND2 3.4Å; C52-N55 PolarHBondContact O-N 3.21Å; N53-N55 VanDerWaalsContact C-N 3.28Å; N53-N55 PolarHBondContact O-N 2.61Å; N55-W57 HydrophobicContact CB-CD2 3.42Å; N55-W57 VanDerWaalsContact CB-CD2 3.42Å; N55-W57 VanDerWaalsContact CB-CE2 3.43Å; N55-W57 HydrophobicContact CB-CE3 3.73Å; N55-W57 HydrophobicContact CB-CG 3.88Å; N55-W57 HydrophobicContact CB-CH2 4.01Å; N55-W57 HydrophobicContact CB-CZ2 3.72Å; N55-W57 HydrophobicContact CB-CZ3 4.01Å; N55-K75 VanDerWaalsContact O-CE 3.28Å; N55-K75 WeakPolarHBondContact O-CE 3.35Å; N55-K75 PolarHBondContact O-NZ 3.19Å
56G93.3Very high94.2Very high65 Ų6573.8 Ų73.867%0.6736%0.355SS*.THydrogen-bonded Turntrans67.536.2-172.100000112.6C52 N53C52-G56 WeakPolarHBondContact O-CA 3.39Å; C52-G56 PolarHBondContact O-N 3.03Å; N53-G56 PolarHBondContact O-N 3.22Å
57W94.9Very high94Very high26 Ų2668.7 Ų68.710%0.09834%0.336CS..  trans-98.2163178.3-63-23.9000111.7T51 C52 N55 L64 W66 G76 I78T51-W57 HydrophobicContact CG2-CZ3 4.4Å; C52-W57 HydrophobicContact CB-CB 4.49Å; C52-W57 PolarHBondContact O-N 3.35Å; N55-W57 HydrophobicContact CB-CD2 3.42Å; N55-W57 VanDerWaalsContact CB-CD2 3.42Å; N55-W57 VanDerWaalsContact CB-CE2 3.43Å; N55-W57 HydrophobicContact CB-CE3 3.73Å; N55-W57 HydrophobicContact CB-CG 3.88Å; N55-W57 HydrophobicContact CB-CH2 4.01Å; N55-W57 HydrophobicContact CB-CZ2 3.72Å; N55-W57 HydrophobicContact CB-CZ3 4.01Å; W57-L64 HydrophobicContact CE3-CD2 4.2Å; W57-L64 HydrophobicContact CZ3-CD2 4.3Å; W57-W66 HydrophobicContact CH2-CB 4.09Å; W57-W66 AromaticContact CH2-CD1 3.71Å; W57-W66 AromaticContact CH2-CD2 3.89Å; W57-W66 HydrophobicContact CH2-CD2 3.89Å; W57-W66 AromaticContact CH2-CG 3.65Å; W57-W66 HydrophobicContact CH2-CG 3.65Å; W57-W66 AromaticContact CH2-NE1 3.93Å; W57-W66 HydrophobicContact CZ2-CG 4.42Å; W57-W66 AromaticContact CZ3-CD2 4Å; W57-W66 HydrophobicContact CZ3-CD2 4Å; W57-W66 HydrophobicContact CZ3-CE3 4.28Å; W57-W66 HydrophobicContact CZ3-CG 4.14Å; W57-G76 WeakPolarHBondContact CZ2-O 3.3Å; W57-I78 HydrophobicContact CB-CD1 3.92Å; W57-I78 HydrophobicContact CD2-CB 4.17Å; W57-I78 HydrophobicContact CD2-CD1 4.25Å; W57-I78 HydrophobicContact CG-CB 4.23Å; W57-I78 HydrophobicContact CG-CD1 4.01Å; W57-I78 HydrophobicContact CG-CG2 4.5Å
58K93.3Very high93.7Very high203 Ų20369 Ų6988%0.88334%0.34SS*.  trans-125.1115.2172.5-66.6-174.9176.8-173.50108.8
59H94.6Very high93.1Very high38 Ų3872.3 Ų72.318%0.17636%0.358CS..  trans-159.5145.8178.3-163.468.8000109.3E61 P63 L64 I78H59-E61 PolarHBondContact CD2-O 3.18Å; H59-E61 PolarHBondContact NE2-O 3.27Å; H59-P63 PolarHBondContact NE2-O 3.28Å; H59-L64 HydrophobicContact CB-CD1 3.82Å; H59-I78 HydrophobicContact CB-CD1 4.44Å
60E91.6Very high91.8Very high182 Ų18269.7 Ų69.785%0.8535%0.35SS*.  trans-130.9-16.5-172.1-64.3-179.3-17700113.1
61E92.7Very high90.4Very high140 Ų14071.9 Ų71.965%0.65436%0.357SS*.SBendtrans-110.9170.5-172.2-63.3-174.2174.700111.8W44 H59W44-E61 WeakPolarHBondContact CZ2-O 3.47Å; H59-E61 PolarHBondContact CD2-O 3.18Å; H59-E61 PolarHBondContact NE2-O 3.27Å
62S94.2Very high88.8Confident9 Ų978.9 Ų78.96%0.06339%0.388CS..SBendtrans-105.7138.1170170.70000109G8 K9 C12G8-S62 WeakPolarHBondContact CA-OG 3.43Å; K9-S62 PolarHBondContact N-OG 3.46Å; C12-S62 PolarHBondContact SG-OG 3.47Å
63P96.7Very high87.3Confident0 Ų082.1 Ų82.10%042%0.423CS..  cis-89.9155.3-0.335.4-36.3000114A7 Y15 A18 H59 I65 G81A7-P63 CarbonylContact O-C 3.56Å; A7-P63 VanDerWaalsContact O-CA 3.25Å; A7-P63 WeakPolarHBondContact O-CA 3.21Å; A7-P63 VanDerWaalsContact O-CB 3.24Å; A7-P63 WeakPolarHBondContact O-CB 3.43Å; Y15-P63 HydrophobicContact CD2-CB 3.72Å; Y15-P63 HydrophobicContact CG-CB 4.36Å; A18-P63 HydrophobicContact CB-CG 4.08Å; H59-P63 PolarHBondContact NE2-O 3.28Å; P63-I65 HydrophobicContact CB-CD1 4.43Å; P63-I65 HydrophobicContact CB-CG1 4.22Å; P63-I65 HydrophobicContact CG-CD1 3.84Å; P63-I65 HydrophobicContact CG-CG1 4.12Å; P63-G81 WeakPolarHBondContact O-CA 3.47Å
64L96.8Very high86.1Confident0 Ų078.4 Ų78.40%041%0.412CS..EExtended strand (participates in β ladder)trans-91.1121.2166.3174.464.6000109.8A7 W44 W47 L48 T51 W57 H59 W66 I78A7-L64 PolarHBondContact N-O 3.15Å; A7-L64 PolarHBondContact O-N 3.42Å; W44-L64 HydrophobicContact CH2-CB 4.26Å; W47-L64 HydrophobicContact CZ3-CD2 4.45Å; L48-L64 HydrophobicContact CD1-CB 4.11Å; L48-L64 HydrophobicContact CD1-CD2 3.81Å; L48-L64 HydrophobicContact CD1-CG 4.46Å; T51-L64 HydrophobicContact CG2-CD2 4.19Å; W57-L64 HydrophobicContact CE3-CD2 4.2Å; W57-L64 HydrophobicContact CZ3-CD2 4.3Å; H59-L64 HydrophobicContact CB-CD1 3.82Å; L64-W66 HydrophobicContact CD2-CE3 4.34Å; L64-W66 HydrophobicContact CD2-CZ3 4.14Å; L64-W66 HydrophobicContact CG-CE3 4Å; L64-W66 HydrophobicContact CG-CZ3 4.07Å; L64-I78 HydrophobicContact CD1-CD1 3.68Å; L64-I78 HydrophobicContact CD1-CG1 4.15Å
65I96.5Very high85.4Confident0 Ų077.4 Ų77.40%041%0.408CS..EExtended strand (participates in β ladder)trans-123.4132.5-175.7-53.3178.2000110.6V5 L6 A18 P63 L79 G80 F85V5-I65 WeakPolarHBondContact O-CA 3.25Å; L6-I65 HydrophobicContact CB-CG1 4.49Å; L6-I65 HydrophobicContact CD1-CG2 4.05Å; L6-I65 HydrophobicContact CG-CD1 4.08Å; L6-I65 HydrophobicContact CG-CG1 4.05Å; L6-I65 HydrophobicContact CG-CG2 4.12Å; A18-I65 HydrophobicContact CB-CD1 3.9Å; P63-I65 HydrophobicContact CB-CD1 4.43Å; P63-I65 HydrophobicContact CB-CG1 4.22Å; P63-I65 HydrophobicContact CG-CD1 3.84Å; P63-I65 HydrophobicContact CG-CG1 4.12Å; I65-L79 HydrophobicContact CG2-CD1 4.03Å; I65-L79 WeakPolarHBondContact O-CB 3.42Å; I65-L79 PolarHBondContact O-N 2.88Å; I65-G80 PolarHBondContact N-O 3.1Å; I65-G80 PolarHBondContact O-N 3.32Å; I65-G80 VanDerWaalsContact O-N 3.16Å; I65-F85 HydrophobicContact CB-CB 4.47Å; I65-F85 HydrophobicContact CD1-CB 3.42Å; I65-F85 VanDerWaalsContact CD1-CB 3.42Å; I65-F85 HydrophobicContact CD1-CD1 3.89Å; I65-F85 HydrophobicContact CD1-CD2 4.43Å; I65-F85 HydrophobicContact CD1-CG 3.67Å; I65-F85 HydrophobicContact CG2-CB 4.22Å; I65-F85 HydrophobicContact CG2-CD2 3.78Å; I65-F85 HydrophobicContact CG2-CE2 4.38Å; I65-F85 HydrophobicContact CG2-CG 4.08Å
66W94.8Very high85.1Confident14 Ų1475.8 Ų75.85%0.05340%0.402CS..EExtended strand (participates in β ladder)trans-146.2167.9176.871.999.9000112.3F4 V5 A7 I37 W47 W57 L64 E68 M77F4-W66 WeakPolarHBondContact CA-O 3.38Å; V5-W66 HydrophobicContact CB-CD2 3.76Å; V5-W66 VanDerWaalsContact CB-CE2 3.45Å; V5-W66 HydrophobicContact CB-CE3 4.08Å; V5-W66 HydrophobicContact CB-CG 4.39Å; V5-W66 HydrophobicContact CB-CH2 3.94Å; V5-W66 HydrophobicContact CB-CZ2 3.57Å; V5-W66 HydrophobicContact CB-CZ3 4.15Å; V5-W66 HydrophobicContact CG1-CD2 4.2Å; V5-W66 HydrophobicContact CG1-CE3 4.18Å; V5-W66 HydrophobicContact CG1-CH2 3.24Å; V5-W66 HydrophobicContact CG1-CZ2 3.21Å; V5-W66 HydrophobicContact CG1-CZ3 3.73Å; V5-W66 HydrophobicContact CG2-CZ2 4.08Å; V5-W66 PolarHBondContact N-O 3.26Å; V5-W66 PolarHBondContact O-N 2.99Å; A7-W66 HydrophobicContact CB-CH2 4.09Å; A7-W66 HydrophobicContact CB-CZ3 3.76Å; I37-W66 HydrophobicContact CD1-CH2 3.99Å; I37-W66 HydrophobicContact CD1-CZ2 4.42Å; W47-W66 HydrophobicContact CH2-CH2 4.28Å; W57-W66 HydrophobicContact CH2-CB 4.09Å; W57-W66 AromaticContact CH2-CD1 3.71Å; W57-W66 AromaticContact CH2-CD2 3.89Å; W57-W66 HydrophobicContact CH2-CD2 3.89Å; W57-W66 AromaticContact CH2-CG 3.65Å; W57-W66 HydrophobicContact CH2-CG 3.65Å; W57-W66 AromaticContact CH2-NE1 3.93Å; W57-W66 HydrophobicContact CZ2-CG 4.42Å; W57-W66 AromaticContact CZ3-CD2 4Å; W57-W66 HydrophobicContact CZ3-CD2 4Å; W57-W66 HydrophobicContact CZ3-CE3 4.28Å; W57-W66 HydrophobicContact CZ3-CG 4.14Å; L64-W66 HydrophobicContact CD2-CE3 4.34Å; L64-W66 HydrophobicContact CD2-CZ3 4.14Å; L64-W66 HydrophobicContact CG-CE3 4Å; L64-W66 HydrophobicContact CG-CZ3 4.07Å; W66-E68 PolarHBondContact NE1-OE1 2.89Å; W66-M77 WeakPolarHBondContact CA-O 3.17Å; W66-M77 WeakPolarHBondContact CB-O 3.46Å
67R92.1Very high85Confident84 Ų8477.8 Ų77.832%0.31740%0.395SS..EExtended strand (participates in β ladder)trans-115.4134.7179.2-179.6178.3160.4175.9-0.8111A2 K3 F4 G76 M77 L79A2-R67 HydrophobicContact CB-CG 4Å; K3-R67 WeakPolarHBondContact O-CA 3.48Å; F4-R67 HydrophobicContact CD1-CB 4.44Å; F4-R67 HydrophobicContact CE1-CB 4.45Å; R67-G76 WeakPolarHBondContact O-CA 3.42Å; R67-M77 PolarHBondContact N-O 3.15Å; R67-M77 PolarHBondContact O-N 3.48Å; R67-L79 HydrophobicContact CB-CD1 4.36Å
68E89.6Confident84.9Confident72 Ų7279.2 Ų79.234%0.33640%0.404SS..EExtended strand (participates in β ladder)trans-120.2149.2178.2-62-176.316100111.4A2 K3 V5 W66A2-E68 CarbonylContact C-O 3.51Å; A2-E68 VanDerWaalsContact CA-O 3.24Å; A2-E68 WeakPolarHBondContact CA-O 3.42Å; K3-E68 PolarHBondContact N-O 2.78Å; K3-E68 PolarHBondContact O-N 2.67Å; V5-E68 HydrophobicContact CG2-CG 4.07Å; W66-E68 PolarHBondContact NE1-OE1 2.89Å
69L82.7Confident84.9Confident79 Ų7971.4 Ų71.441%0.41437%0.371SS..EExtended strand (participates in β ladder)trans-96.1113.5173.2-64.7176.6000109.5A2 E71A2-L69 HydrophobicContact CB-CD2 4.19Å; L69-E71 VanDerWaalsContact C-N 3.33Å; L69-E71 PolarHBondContact O-N 2.88Å
70V67.7Low84.9Confident68 Ų6870 Ų7041%0.41237%0.367SS..THydrogen-bonded Turntrans-69.9-24.3-167.1-176.70000113.8M1 K3M1-V70 WeakPolarHBondContact O-CB 3.42Å; M1-V70 WeakPolarHBondContact O-CG2 3.36Å; M1-V70 PolarHBondContact O-N 2.78Å; K3-V70 HydrophobicContact CB-CG2 3.49Å; K3-V70 VanDerWaalsContact CB-CG2 3.49Å
71E64.2Low85.1Confident152 Ų15261.8 Ų61.871%0.7133%0.332SS*.THydrogen-bonded Turntrans-121.1-8.8-168.9-67.1-178.2174.500114.6L69L69-E71 VanDerWaalsContact C-N 3.33Å; L69-E71 PolarHBondContact O-N 2.88Å
72Q61.6Low85.1Confident170 Ų17056.2 Ų56.279%0.79431%0.305SS*.THydrogen-bonded Turntrans-120.80.9-173.3-70.2-176.3-16.500113.6
73G60.4Low85.1Confident77 Ų7761 Ų6179%0.79433%0.33SS*.THydrogen-bonded Turntrans5675.8-179.400000111.5
74G68.3Low84.9Confident37 Ų3765 Ų6538%0.38135%0.351SS..  trans-110148.8178.900000112G76G74-G76 PolarHBondContact O-N 3.24Å
75K78.2Confident84.8Confident165 Ų16565 Ų6572%0.71735%0.351SS*.  trans-55.4131.7169.3-172.5174.8-178.4176.70109N55 M77N55-K75 VanDerWaalsContact O-CE 3.28Å; N55-K75 WeakPolarHBondContact O-CE 3.35Å; N55-K75 PolarHBondContact O-NZ 3.19Å; K75-M77 PolarHBondContact O-N 3.48Å
76G84Confident84.6Confident11 Ų1166.1 Ų66.111%0.11336%0.358CS..  trans-55.9132.6175.800000110.5W57 R67 G74W57-G76 WeakPolarHBondContact CZ2-O 3.3Å; R67-G76 WeakPolarHBondContact O-CA 3.42Å; G74-G76 PolarHBondContact O-N 3.24Å
77M90.6Very high84.5Confident106 Ų10669.9 Ų69.952%0.52238%0.379SS..EExtended strand (participates in β ladder)trans-98.6105.9175.8-171.4-179.877.300108.1W66 R67 K75 L79W66-M77 WeakPolarHBondContact CA-O 3.17Å; W66-M77 WeakPolarHBondContact CB-O 3.46Å; R67-M77 PolarHBondContact N-O 3.15Å; R67-M77 PolarHBondContact O-N 3.48Å; K75-M77 PolarHBondContact O-N 3.48Å; M77-L79 PolarHBondContact O-N 3.38Å
78I93.6Very high84.4Confident57 Ų5767 Ų6729%0.29237%0.369SS..EExtended strand (participates in β ladder)trans-58.8133.1176.5-171.2165.9000109.9W57 H59 L64W57-I78 HydrophobicContact CB-CD1 3.92Å; W57-I78 HydrophobicContact CD2-CB 4.17Å; W57-I78 HydrophobicContact CD2-CD1 4.25Å; W57-I78 HydrophobicContact CG-CB 4.23Å; W57-I78 HydrophobicContact CG-CD1 4.01Å; W57-I78 HydrophobicContact CG-CG2 4.5Å; H59-I78 HydrophobicContact CB-CD1 4.44Å; L64-I78 HydrophobicContact CD1-CD1 3.68Å; L64-I78 HydrophobicContact CD1-CG1 4.15Å
79L93.3Very high84.5Confident38 Ų3863.6 Ų63.620%0.19935%0.353CS..EExtended strand (participates in β ladder)trans-95.4-44.9169.6-72.2157.1000109.3F4 I65 R67 M77 D84 H88F4-L79 HydrophobicContact CD1-CD1 3.57Å; F4-L79 HydrophobicContact CE1-CD1 3.58Å; I65-L79 HydrophobicContact CG2-CD1 4.03Å; I65-L79 WeakPolarHBondContact O-CB 3.42Å; I65-L79 PolarHBondContact O-N 2.88Å; R67-L79 HydrophobicContact CB-CD1 4.36Å; M77-L79 PolarHBondContact O-N 3.38Å; L79-D84 WeakPolarHBondContact O-CB 3.34Å; L79-H88 HydrophobicContact CD2-CB 4.39Å
80G94.6Very high84.8Confident8 Ų864.8 Ų64.88%0.08236%0.357CS..EExtended strand (participates in β ladder)trans129.3-136.5179.400000111.1I65 D84I65-G80 PolarHBondContact N-O 3.1Å; I65-G80 PolarHBondContact O-N 3.32Å; I65-G80 VanDerWaalsContact O-N 3.16Å; G80-D84 WeakPolarHBondContact CA-OD2 3.35Å
81G94.5Very high85.9Confident11 Ų1167 Ų6711%0.11337%0.37CS..SBendtrans-87.7-167-179.200000113.9P63 N83 D84 F85P63-G81 WeakPolarHBondContact O-CA 3.47Å; G81-N83 PolarHBondContact O-N 2.77Å; G81-D84 PolarHBondContact N-OD2 2.98Å; G81-D84 PolarHBondContact O-N 3.27Å; G81-F85 PolarHBondContact O-N 3.07Å
82Y93.8Very high87.1Confident23 Ų2367.3 Ų67.39%0.0937%0.366CS..Hα-helixtrans-57-47.4174.4169.9-110.7000112.9L14 Q17 A18 D84 F85 V86L14-Y82 HydrophobicContact CB-CG 4.29Å; L14-Y82 HydrophobicContact CD2-CD1 3.81Å; L14-Y82 HydrophobicContact CD2-CE1 4.32Å; L14-Y82 HydrophobicContact CD2-CG 4.36Å; L14-Y82 WeakPolarHBondContact O-CD2 3.49Å; Q17-Y82 HydrophobicContact CB-CD2 4.18Å; Q17-Y82 HydrophobicContact CB-CE1 4.44Å; Q17-Y82 HydrophobicContact CB-CE2 3.48Å; Q17-Y82 VanDerWaalsContact CB-CE2 3.48Å; Q17-Y82 VanDerWaalsContact OE1-CE1 3.24Å; Q17-Y82 PolarHBondContact OE1-OH 3.02Å; A18-Y82 HydrophobicContact CB-CD2 3.89Å; A18-Y82 HydrophobicContact CB-CE2 4.49Å; Y82-D84 PolarHBondContact O-N 3.15Å; Y82-F85 WeakPolarHBondContact O-CB 3.49Å; Y82-F85 PolarHBondContact O-N 3.29Å; Y82-F85 VanDerWaalsContact O-N 3.13Å; Y82-V86 HydrophobicContact CD1-CG2 4.33Å; Y82-V86 HydrophobicContact CD2-CG2 3.94Å; Y82-V86 HydrophobicContact CE1-CG2 3.87Å; Y82-V86 HydrophobicContact CE2-CG2 3.4Å; Y82-V86 HydrophobicContact CG-CG2 4.39Å; Y82-V86 WeakPolarHBondContact O-CG2 3.44Å; Y82-V86 PolarHBondContact O-N 2.84Å
83N92.6Very high88.4Confident110 Ų11063.2 Ų63.259%0.58834%0.344SS*.Hα-helixtrans-61.4-43.7-177.4-66.7-31000111.7G81 F85 V86 D87G81-N83 PolarHBondContact O-N 2.77Å; N83-F85 VanDerWaalsContact C-N 3.25Å; N83-F85 PolarHBondContact O-N 3.44Å; N83-V86 PolarHBondContact O-N 2.95Å; N83-D87 PolarHBondContact O-N 3.25Å
84D94.1Very high89.5Confident83 Ų8362.6 Ų62.644%0.44434%0.338SS..Hα-helixtrans-61.6-36.4177.3-55.6-63.6000111.7L79 G80 G81 Y82 H88L79-D84 WeakPolarHBondContact O-CB 3.34Å; G80-D84 WeakPolarHBondContact CA-OD2 3.35Å; G81-D84 PolarHBondContact N-OD2 2.98Å; G81-D84 PolarHBondContact O-N 3.27Å; Y82-D84 PolarHBondContact O-N 3.15Å; D84-H88 WeakPolarHBondContact O-CB 3.36Å; D84-H88 PolarHBondContact O-N 3.23Å
85F93.3Very high90.2Very high0 Ų062.4 Ų62.40%033%0.329CS..Hα-helixtrans-70.8-40.7176-179.6-117.1000112.7F4 L6 A18 L21 A22 L25 F32 I65 G81 Y82 N83 H88 C89F4-F85 HydrophobicContact CD1-CD2 4.4Å; F4-F85 AromaticContact CD1-CE2 3.89Å; F4-F85 HydrophobicContact CD1-CE2 3.89Å; F4-F85 HydrophobicContact CE1-CE2 4.35Å; F4-F85 HydrophobicContact CG-CE2 4.34Å; L6-F85 HydrophobicContact CD1-CZ 4.41Å; L6-F85 HydrophobicContact CD2-CE1 4.14Å; L6-F85 HydrophobicContact CD2-CZ 4.43Å; A18-F85 HydrophobicContact CB-CD1 4.34Å; L21-F85 HydrophobicContact CB-CE1 4.34Å; L21-F85 HydrophobicContact CD2-CD1 3.99Å; L21-F85 HydrophobicContact CD2-CE1 3.87Å; L21-F85 HydrophobicContact CG-CE1 4.08Å; A22-F85 HydrophobicContact CB-CE1 4.3Å; A22-F85 HydrophobicContact CB-CZ 4.13Å; L25-F85 HydrophobicContact CD1-CZ 4.47Å; F32-F85 HydrophobicContact CZ-CZ 4.37Å; I65-F85 HydrophobicContact CB-CB 4.47Å; I65-F85 HydrophobicContact CD1-CB 3.42Å; I65-F85 VanDerWaalsContact CD1-CB 3.42Å; I65-F85 HydrophobicContact CD1-CD1 3.89Å; I65-F85 HydrophobicContact CD1-CD2 4.43Å; I65-F85 HydrophobicContact CD1-CG 3.67Å; I65-F85 HydrophobicContact CG2-CB 4.22Å; I65-F85 HydrophobicContact CG2-CD2 3.78Å; I65-F85 HydrophobicContact CG2-CE2 4.38Å; I65-F85 HydrophobicContact CG2-CG 4.08Å; G81-F85 PolarHBondContact O-N 3.07Å; Y82-F85 WeakPolarHBondContact O-CB 3.49Å; Y82-F85 PolarHBondContact O-N 3.29Å; Y82-F85 VanDerWaalsContact O-N 3.13Å; N83-F85 VanDerWaalsContact C-N 3.25Å; N83-F85 PolarHBondContact O-N 3.44Å; F85-H88 WeakPolarHBondContact O-CB 3.25Å; F85-H88 PolarHBondContact O-N 3.26Å; F85-C89 VanDerWaalsContact CE2-SG 3.51Å; F85-C89 VanDerWaalsContact CZ-SG 3.53Å; F85-C89 WeakPolarHBondContact O-CB 3.32Å; F85-C89 PolarHBondContact O-N 3.23Å; F85-C89 PolarHBondContact O-SG 3.31Å
86V92.1Very high90.1Very high23 Ų2358.9 Ų58.914%0.13932%0.321CS..Hα-helixtrans-61.3-47.6174.5173.30000110.5L21 Y82 N83 H88 C89 Q90L21-V86 HydrophobicContact CD2-CG2 3.95Å; Y82-V86 HydrophobicContact CD1-CG2 4.33Å; Y82-V86 HydrophobicContact CD2-CG2 3.94Å; Y82-V86 HydrophobicContact CE1-CG2 3.87Å; Y82-V86 HydrophobicContact CE2-CG2 3.4Å; Y82-V86 HydrophobicContact CG-CG2 4.39Å; Y82-V86 WeakPolarHBondContact O-CG2 3.44Å; Y82-V86 PolarHBondContact O-N 2.84Å; N83-V86 PolarHBondContact O-N 2.95Å; V86-H88 VanDerWaalsContact C-N 3.3Å; V86-H88 PolarHBondContact O-N 2.82Å; V86-C89 PolarHBondContact O-N 2.89Å; V86-C89 VanDerWaalsContact O-N 3.1Å; V86-Q90 WeakPolarHBondContact O-CB 3.26Å; V86-Q90 PolarHBondContact O-N 2.87Å
87D92.6Very high89.5Confident93 Ų9359.6 Ų59.650%0.49733%0.325SS..Hα-helixtrans-59.6-44.2177.9-74.8-13.3000110.8N83 C89 Q90 V91N83-D87 PolarHBondContact O-N 3.25Å; D87-C89 PolarHBondContact O-N 3Å; D87-Q90 PolarHBondContact O-N 3.39Å; D87-V91 WeakPolarHBondContact O-CB 3.46Å; D87-V91 VanDerWaalsContact O-CG2 3.24Å; D87-V91 WeakPolarHBondContact O-CG2 3.43Å; D87-V91 PolarHBondContact O-N 2.78Å
88H91.8Very high88.7Confident24 Ų2464.2 Ų64.211%0.11134%0.342CS..Hα-helixtrans-57.9-48.2173.4-172.585.7000111.6F4 L79 D84 F85 V86 Q90 V91 Y92F4-H88 AromaticContact CE1-CD2 3.73Å; F4-H88 AromaticContact CE1-NE2 3.64Å; F4-H88 AromaticContact CZ-CD2 3.86Å; F4-H88 AromaticContact CZ-NE2 3.47Å; F4-H88 WeakPolarHBondContact CZ-NE2 3.46Å; L79-H88 HydrophobicContact CD2-CB 4.39Å; D84-H88 WeakPolarHBondContact O-CB 3.36Å; D84-H88 PolarHBondContact O-N 3.23Å; F85-H88 WeakPolarHBondContact O-CB 3.25Å; F85-H88 PolarHBondContact O-N 3.26Å; V86-H88 VanDerWaalsContact C-N 3.3Å; V86-H88 PolarHBondContact O-N 2.82Å; H88-Q90 VanDerWaalsContact C-N 3.35Å; H88-Q90 PolarHBondContact O-N 2.97Å; H88-V91 PolarHBondContact O-N 2.73Å; H88-Y92 AromaticContact CE1-CD2 3.35Å; H88-Y92 WeakPolarHBondContact CE1-CD2 3.49Å; H88-Y92 AromaticContact CE1-CE2 3.48Å; H88-Y92 VanDerWaalsContact CE1-CE2 3.48Å; H88-Y92 WeakPolarHBondContact CE1-CE2 3.38Å; H88-Y92 AromaticContact CG-CD2 3.91Å; H88-Y92 AromaticContact ND1-CD2 3.46Å; H88-Y92 WeakPolarHBondContact ND1-CD2 3.25Å; H88-Y92 AromaticContact ND1-CE2 3.52Å; H88-Y92 AromaticContact NE2-CD2 3.76Å; H88-Y92 WeakPolarHBondContact O-CB 3.32Å; H88-Y92 WeakPolarHBondContact O-CD2 3.29Å; H88-Y92 PolarHBondContact O-N 2.82Å
89C90.3Very high87.9Confident0 Ų062.4 Ų62.40%033%0.332CS..Hα-helixtrans-66.6-37.7-177.6-670000112.6L21 L25 F85 V86 D87 Y93 G94L21-C89 HydrophobicContact CD2-CB 4.03Å; L25-C89 HydrophobicContact CD1-CB 4.04Å; L25-C89 WeakPolarHBondContact CD1-SG 3.28Å; F85-C89 VanDerWaalsContact CE2-SG 3.51Å; F85-C89 VanDerWaalsContact CZ-SG 3.53Å; F85-C89 WeakPolarHBondContact O-CB 3.32Å; F85-C89 PolarHBondContact O-N 3.23Å; F85-C89 PolarHBondContact O-SG 3.31Å; V86-C89 PolarHBondContact O-N 2.89Å; V86-C89 VanDerWaalsContact O-N 3.1Å; D87-C89 PolarHBondContact O-N 3Å; C89-Y93 HydrophobicContact CB-CD2 4.45Å; C89-Y93 CarbonylContact O-C 3.48Å; C89-Y93 WeakPolarHBondContact O-CA 3.41Å; C89-Y93 WeakPolarHBondContact O-CB 3.41Å; C89-Y93 PolarHBondContact O-N 3.24Å; C89-G94 PolarHBondContact O-N 2.97Å; C89-G94 VanDerWaalsContact O-N 3.12Å
90Q89.9Confident87.6Confident104 Ų10463.7 Ų63.749%0.48634%0.343SS..Hα-helixtrans-66.4-45.6176.4-176.3174.2-7.400111.2V86 D87 H88 G94 T96V86-Q90 WeakPolarHBondContact O-CB 3.26Å; V86-Q90 PolarHBondContact O-N 2.87Å; D87-Q90 PolarHBondContact O-N 3.39Å; H88-Q90 VanDerWaalsContact C-N 3.35Å; H88-Q90 PolarHBondContact O-N 2.97Å; Q90-G94 VanDerWaalsContact O-CA 3.26Å; Q90-G94 WeakPolarHBondContact O-CA 3.33Å; Q90-G94 PolarHBondContact O-N 2.96Å; Q90-G94 VanDerWaalsContact O-N 3.09Å; Q90-T96 HydrophobicContact CB-CG2 4.13Å; Q90-T96 HydrophobicContact CG-CG2 3.94Å
91V90.7Very high87Confident114 Ų11469.3 Ų69.369%0.69137%0.371SS*.Hα-helixtrans-68.6-44.4-178.21710000111.9D87 H88D87-V91 WeakPolarHBondContact O-CB 3.46Å; D87-V91 VanDerWaalsContact O-CG2 3.24Å; D87-V91 WeakPolarHBondContact O-CG2 3.43Å; D87-V91 PolarHBondContact O-N 2.78Å; H88-V91 PolarHBondContact O-N 2.73Å
92Y88.4Confident86.6Confident159 Ų15974.3 Ų74.362%0.62440%0.395SS*.Hα-helixtrans-93.6-29.8-171.5-74.2-82.7000114.2H88H88-Y92 AromaticContact CE1-CD2 3.35Å; H88-Y92 WeakPolarHBondContact CE1-CD2 3.49Å; H88-Y92 AromaticContact CE1-CE2 3.48Å; H88-Y92 VanDerWaalsContact CE1-CE2 3.48Å; H88-Y92 WeakPolarHBondContact CE1-CE2 3.38Å; H88-Y92 AromaticContact CG-CD2 3.91Å; H88-Y92 AromaticContact ND1-CD2 3.46Å; H88-Y92 WeakPolarHBondContact ND1-CD2 3.25Å; H88-Y92 AromaticContact ND1-CE2 3.52Å; H88-Y92 AromaticContact NE2-CD2 3.76Å; H88-Y92 WeakPolarHBondContact O-CB 3.32Å; H88-Y92 WeakPolarHBondContact O-CD2 3.29Å; H88-Y92 PolarHBondContact O-N 2.82Å
93Y88.4Confident86.2Confident84 Ų8476.5 Ų76.533%0.32941%0.406SS..Hα-helixtrans-117.9-10-175.5-54.2-62.8000113.4F4 L25 L29 F32 C89 V95F4-Y93 HydrophobicContact CE2-CE2 4.46Å; F4-Y93 HydrophobicContact CZ-CE2 4.29Å; L25-Y93 HydrophobicContact CD1-CD2 4.26Å; L25-Y93 HydrophobicContact CD2-CD2 4.03Å; L25-Y93 HydrophobicContact CD2-CG 3.94Å; L29-Y93 HydrophobicContact CD1-CD1 3.38Å; L29-Y93 HydrophobicContact CD1-CE1 3.86Å; L29-Y93 HydrophobicContact CD1-CG 3.83Å; F32-Y93 HydrophobicContact CD2-CE1 4.46Å; F32-Y93 HydrophobicContact CD2-CE2 4.04Å; F32-Y93 AromaticContact CD2-CZ 3.9Å; F32-Y93 HydrophobicContact CE2-CD2 4.38Å; F32-Y93 AromaticContact CE2-CE2 3.69Å; F32-Y93 HydrophobicContact CE2-CE2 3.69Å; F32-Y93 AromaticContact CE2-CZ 3.98Å; C89-Y93 HydrophobicContact CB-CD2 4.45Å; C89-Y93 CarbonylContact O-C 3.48Å; C89-Y93 WeakPolarHBondContact O-CA 3.41Å; C89-Y93 WeakPolarHBondContact O-CB 3.41Å; C89-Y93 PolarHBondContact O-N 3.24Å; Y93-V95 PolarHBondContact O-N 3.43Å
94G85.6Confident86.1Confident65 Ų6571.9 Ų71.967%0.6738%0.382SS*.  trans66.818.6-178.700000113.6C89 Q90C89-G94 PolarHBondContact O-N 2.97Å; C89-G94 VanDerWaalsContact O-N 3.12Å; Q90-G94 VanDerWaalsContact O-CA 3.26Å; Q90-G94 WeakPolarHBondContact O-CA 3.33Å; Q90-G94 PolarHBondContact O-N 2.96Å; Q90-G94 VanDerWaalsContact O-N 3.09Å
95V82.5Confident85.9Confident32 Ų3275.1 Ų75.119%0.19439%0.394CS..  trans-106.5133.7-177.3-178.10000109.7L21 T24 L25 Y93L21-V95 HydrophobicContact CD1-CG1 3.88Å; T24-V95 HydrophobicContact CG2-CG1 4.45Å; L25-V95 HydrophobicContact CD2-CB 3.89Å; L25-V95 HydrophobicContact CD2-CG1 4.32Å; L25-V95 HydrophobicContact CD2-CG2 3.7Å; Y93-V95 PolarHBondContact O-N 3.43Å
96T75.9Confident85.7Confident91 Ų9178.6 Ų78.656%0.55842%0.416SS*.  trans-126.1145.9166.755.90000108Q90Q90-T96 HydrophobicContact CB-CG2 4.13Å; Q90-T96 HydrophobicContact CG-CG2 3.94Å
97S71.8Confident85.6Confident27 Ų2778.8 Ų78.819%0.18942%0.416CS..  trans-127.7129.2176.4-179.10000108.4
98K72.5Confident85.6Confident203 Ų20375.4 Ų75.488%0.88340%0.398SS*.  trans-120.5118.8166-73.8-171.1176.6-173.80107
99I78.1Confident85.6Confident18 Ų1877 Ų779%0.09242%0.416CS..  trans-88.4132.7174.9-50.4-178.2000107Q17 R20 E103 L104 I107Q17-I99 HydrophobicContact CB-CD1 4.37Å; Q17-I99 HydrophobicContact CG-CD1 4.01Å; Q17-I99 HydrophobicContact CG-CG1 4.45Å; R20-I99 HydrophobicContact CB-CD1 3.46Å; R20-I99 VanDerWaalsContact CB-CD1 3.46Å; R20-I99 HydrophobicContact CB-CG1 4.28Å; R20-I99 HydrophobicContact CG-CD1 3.62Å; R20-I99 HydrophobicContact CG-CG1 3.98Å; I99-E103 HydrophobicContact CG2-CB 3.87Å; I99-E103 HydrophobicContact CG2-CG 4.05Å; I99-L104 HydrophobicContact CD1-CD1 4.29Å; I99-L104 HydrophobicContact CG2-CB 4.05Å; I99-I107 HydrophobicContact CD1-CD1 4.2Å; I99-I107 HydrophobicContact CG2-CD1 4.2Å
100P86.1Confident85.7Confident65 Ų6582.1 Ų82.142%0.42244%0.44SS..  trans-54.5144.2166.4-24.635.7000111.7D102 E103 L104P100-D102 VanDerWaalsContact C-N 3.26Å; P100-D102 WeakPolarHBondContact CB-OD1 3.5Å; P100-D102 PolarHBondContact O-N 3.44Å; P100-E103 HydrophobicContact CB-CB 4.32Å; P100-E103 WeakPolarHBondContact CD-OE2 3.3Å; P100-E103 PolarHBondContact O-N 2.86Å; P100-L104 WeakPolarHBondContact O-CB 3.29Å; P100-L104 PolarHBondContact O-N 2.7Å
101D83Confident85.8Confident126 Ų12678.7 Ų78.767%0.67443%0.425SS*.Hα-helixtrans-61.7-33.9-174.6-65.7-30.6000112.5L104 E105D101-L104 PolarHBondContact O-N 3.31Å; D101-E105 PolarHBondContact O-N 2.94Å; D101-E105 VanDerWaalsContact O-N 3.07Å
102D84.3Confident85.9Confident116 Ų11675.7 Ų75.762%0.6241%0.405SS*.Hα-helixtrans-69.2-40.7176.759.7-41.2000113.1P100 L104 T106P100-D102 VanDerWaalsContact C-N 3.26Å; P100-D102 WeakPolarHBondContact CB-OD1 3.5Å; P100-D102 PolarHBondContact O-N 3.44Å; D102-L104 VanDerWaalsContact C-N 3.32Å; D102-T106 PolarHBondContact O-N 2.97Å; D102-T106 PolarHBondContact O-OG1 2.87Å
103E87.2Confident86.2Confident69 Ų6974.8 Ų74.832%0.32241%0.406SS..Hα-helixtrans-68.6-34.9173.5-169.6-176.5175.300110.5R20 I99 P100 T106 I107R20-E103 IonicContact CZ-OE1 2.76Å; R20-E103 IonicContact NH2-OE1 3.67Å; R20-E103 PolarHBondContact NH2-OE1 3.2Å; I99-E103 HydrophobicContact CG2-CB 3.87Å; I99-E103 HydrophobicContact CG2-CG 4.05Å; P100-E103 HydrophobicContact CB-CB 4.32Å; P100-E103 WeakPolarHBondContact CD-OE2 3.3Å; P100-E103 PolarHBondContact O-N 2.86Å; E103-T106 PolarHBondContact O-N 3.49Å; E103-I107 HydrophobicContact CG-CD1 4.08Å; E103-I107 VanDerWaalsContact O-CG1 3.28Å; E103-I107 WeakPolarHBondContact O-CG1 3.21Å; E103-I107 PolarHBondContact O-N 3.22Å
104L89.3Confident86.3Confident14 Ų1474.2 Ų74.27%0.07341%0.412CS..Hα-helixtrans-66.6-46.3179.6-179.461.5000112.7P13 A16 Q17 I99 P100 D101 D102 T106 I107 V108P13-L104 HydrophobicContact CB-CD1 4.46Å; P13-L104 HydrophobicContact CB-CD2 4.01Å; P13-L104 HydrophobicContact CB-CG 4.33Å; A16-L104 HydrophobicContact CB-CD1 3.81Å; Q17-L104 HydrophobicContact CG-CD1 3.72Å; Q17-L104 HydrophobicContact CG-CD2 4.23Å; I99-L104 HydrophobicContact CD1-CD1 4.29Å; I99-L104 HydrophobicContact CG2-CB 4.05Å; P100-L104 WeakPolarHBondContact O-CB 3.29Å; P100-L104 PolarHBondContact O-N 2.7Å; D101-L104 PolarHBondContact O-N 3.31Å; D102-L104 VanDerWaalsContact C-N 3.32Å; L104-T106 PolarHBondContact O-N 2.56Å; L104-I107 PolarHBondContact O-N 3.41Å; L104-V108 HydrophobicContact CD1-CG2 4.3Å; L104-V108 VanDerWaalsContact O-CG2 3.3Å; L104-V108 WeakPolarHBondContact O-CG2 3.43Å; L104-V108 PolarHBondContact O-N 3.36Å
105E89.3Confident86.6Confident150 Ų15072.7 Ų72.770%0.70139%0.387SS*.Hα-helixtrans-58.1-39.3175.9-74.5-177.1176.800111.4D101 A109D101-E105 PolarHBondContact O-N 2.94Å; D101-E105 VanDerWaalsContact O-N 3.07Å; E105-A109 PolarHBondContact O-N 2.86Å; E105-A109 VanDerWaalsContact O-N 3.08Å
106T91Very high87.1Confident74 Ų7475.6 Ų75.645%0.45440%0.401SS..Hα-helixtrans-64.2-49.2177-540000111.4D102 E103 L104 V108 A109 E110D102-T106 PolarHBondContact O-N 2.97Å; D102-T106 PolarHBondContact O-OG1 2.87Å; E103-T106 PolarHBondContact O-N 3.49Å; L104-T106 PolarHBondContact O-N 2.56Å; T106-V108 VanDerWaalsContact C-N 3.31Å; T106-V108 PolarHBondContact O-N 3.14Å; T106-A109 PolarHBondContact O-N 3.3Å; T106-E110 HydrophobicContact CG2-CG 4.38Å; T106-E110 WeakPolarHBondContact O-CG 3.46Å; T106-E110 PolarHBondContact O-N 3.4Å
107I90Very high87.9Confident27 Ų2774.7 Ų74.714%0.13840%0.398CS..Hα-helixtrans-61.2-41.6179.6-66.5164.2000111.1A16 I99 E103 L104 E110 N111A16-I107 HydrophobicContact CB-CB 4.41Å; A16-I107 HydrophobicContact CB-CG2 3.71Å; I99-I107 HydrophobicContact CD1-CD1 4.2Å; I99-I107 HydrophobicContact CG2-CD1 4.2Å; E103-I107 HydrophobicContact CG-CD1 4.08Å; E103-I107 VanDerWaalsContact O-CG1 3.28Å; E103-I107 WeakPolarHBondContact O-CG1 3.21Å; E103-I107 PolarHBondContact O-N 3.22Å; L104-I107 PolarHBondContact O-N 3.41Å; I107-E110 PolarHBondContact O-N 3.19Å; I107-N111 VanDerWaalsContact O-CB 3.31Å; I107-N111 WeakPolarHBondContact O-CB 3.35Å; I107-N111 VanDerWaalsContact O-CG 3.26Å; I107-N111 PolarHBondContact O-N 3.01Å
108V92.2Very high88.8Confident21 Ų2177.4 Ų77.413%0.12741%0.41CS..Hα-helixtrans-62.1-44.1178.2170.90000111.1D11 P13 A16 L104 T106 L112D11-V108 VanDerWaalsContact C-CG1 3.48Å; D11-V108 WeakPolarHBondContact O-CG1 3.07Å; P13-V108 HydrophobicContact CB-CG2 4.34Å; P13-V108 HydrophobicContact CG-CG2 4.36Å; A16-V108 HydrophobicContact CB-CG2 3.72Å; L104-V108 HydrophobicContact CD1-CG2 4.3Å; L104-V108 VanDerWaalsContact O-CG2 3.3Å; L104-V108 WeakPolarHBondContact O-CG2 3.43Å; L104-V108 PolarHBondContact O-N 3.36Å; T106-V108 VanDerWaalsContact C-N 3.31Å; T106-V108 PolarHBondContact O-N 3.14Å; V108-L112 PolarHBondContact O-N 3.31Å
109A92.2Very high89.6Confident59 Ų5970.4 Ų70.449%0.48838%0.382SS..Hα-helixtrans-64.2-46.9176.900000111.9E105 T106 N111 L112 E113E105-A109 PolarHBondContact O-N 2.86Å; E105-A109 VanDerWaalsContact O-N 3.08Å; T106-A109 PolarHBondContact O-N 3.3Å; A109-N111 VanDerWaalsContact C-N 3.33Å; A109-N111 PolarHBondContact O-N 2.79Å; A109-L112 PolarHBondContact O-N 3.41Å; A109-E113 WeakPolarHBondContact O-CB 3.4Å; A109-E113 PolarHBondContact O-N 2.93Å
110E92.4Very high90.2Very high107 Ų10772 Ų7250%0.540%0.398SS..Hα-helixtrans-62-38.4178.5-73.3179.1175.200112.3T106 I107 T114T106-E110 HydrophobicContact CG2-CG 4.38Å; T106-E110 WeakPolarHBondContact O-CG 3.46Å; T106-E110 PolarHBondContact O-N 3.4Å; I107-E110 PolarHBondContact O-N 3.19Å; E110-T114 VanDerWaalsContact O-CB 3.25Å; E110-T114 WeakPolarHBondContact O-CB 3.32Å; E110-T114 PolarHBondContact O-N 2.89Å; E110-T114 PolarHBondContact O-OG1 3.43Å
111N91.6Very high90.5Very high32 Ų3275 Ų7517%0.17141%0.406CS..Hα-helixtrans-61.6-48.8176.4-84.5-7.9000111.7A10 E19 I107 A109 T114 Q115A10-N111 WeakPolarHBondContact O-CB 3.34Å; E19-N111 PolarHBondContact OE2-ND2 3.39Å; I107-N111 VanDerWaalsContact O-CB 3.31Å; I107-N111 WeakPolarHBondContact O-CB 3.35Å; I107-N111 VanDerWaalsContact O-CG 3.26Å; I107-N111 PolarHBondContact O-N 3.01Å; A109-N111 VanDerWaalsContact C-N 3.33Å; A109-N111 PolarHBondContact O-N 2.79Å; N111-T114 PolarHBondContact O-N 2.91Å; N111-Q115 WeakPolarHBondContact O-CG 3.38Å; N111-Q115 PolarHBondContact O-N 2.96Å
112L92.6Very high90.6Very high51 Ų5172.5 Ų72.527%0.26739%0.39SS..Hα-helixtrans-64.5-45.6178.4-177.663.8000111.3A10 D11 L40 P41 V108 A109 T114 Q115 L116A10-L112 HydrophobicContact CB-CD1 4.09Å; D11-L112 HydrophobicContact CB-CD2 4.32Å; L40-L112 HydrophobicContact CD2-CD1 4.27Å; P41-L112 HydrophobicContact CG-CD1 4.1Å; V108-L112 PolarHBondContact O-N 3.31Å; A109-L112 PolarHBondContact O-N 3.41Å; L112-T114 VanDerWaalsContact C-N 3.35Å; L112-T114 PolarHBondContact O-N 3.09Å; L112-Q115 PolarHBondContact O-N 2.82Å; L112-L116 HydrophobicContact CD1-CD1 4.49Å; L112-L116 HydrophobicContact CG-CD1 4.18Å; L112-L116 WeakPolarHBondContact O-CG 3.48Å; L112-L116 PolarHBondContact O-N 3.15Å
113E94.3Very high90.8Very high139 Ų13973 Ų7365%0.6539%0.389SS*.Hα-helixtrans-59.8-45.1177.4-176.3175.2-171.400111.5A109 Q115 L116 S117A109-E113 WeakPolarHBondContact O-CB 3.4Å; A109-E113 PolarHBondContact O-N 2.93Å; E113-Q115 VanDerWaalsContact C-N 3.34Å; E113-Q115 PolarHBondContact O-N 2.92Å; E113-L116 PolarHBondContact O-N 2.87Å; E113-S117 WeakPolarHBondContact O-CB 3.05Å; E113-S117 PolarHBondContact O-N 3.12Å
114T91.6Very high90.8Very high73 Ų7375 Ų7545%0.44840%0.398SS..Hα-helixtrans-60.2-43.5177.2-600000111.2E110 N111 L112 S117 L118E110-T114 VanDerWaalsContact O-CB 3.25Å; E110-T114 WeakPolarHBondContact O-CB 3.32Å; E110-T114 PolarHBondContact O-N 2.89Å; E110-T114 PolarHBondContact O-OG1 3.43Å; N111-T114 PolarHBondContact O-N 2.91Å; L112-T114 VanDerWaalsContact C-N 3.35Å; L112-T114 PolarHBondContact O-N 3.09Å; T114-S117 PolarHBondContact O-N 3.47Å; T114-L118 HydrophobicContact CG2-CD1 4.14Å; T114-L118 HydrophobicContact CG2-CG 4.49Å; T114-L118 WeakPolarHBondContact O-CG 3.32Å; T114-L118 PolarHBondContact O-N 3.35Å
115Q91.1Very high90.7Very high33 Ų3381.1 Ų81.115%0.15442%0.42CS..Hα-helixtrans-63.2-44.4176.8-73.4-46.7-64.500112.7A10 P38 L40 N111 L112 E113 S117 L118 I119A10-Q115 HydrophobicContact CB-CB 4.37Å; A10-Q115 HydrophobicContact CB-CG 3.82Å; P38-Q115 VanDerWaalsContact CB-CD 3.46Å; P38-Q115 HydrophobicContact CB-CG 3.7Å; P38-Q115 HydrophobicContact CG-CG 4.07Å; L40-Q115 HydrophobicContact CD2-CB 4.42Å; N111-Q115 WeakPolarHBondContact O-CG 3.38Å; N111-Q115 PolarHBondContact O-N 2.96Å; L112-Q115 PolarHBondContact O-N 2.82Å; E113-Q115 VanDerWaalsContact C-N 3.34Å; E113-Q115 PolarHBondContact O-N 2.92Å; Q115-S117 VanDerWaalsContact C-N 3.31Å; Q115-S117 PolarHBondContact O-N 2.92Å; Q115-L118 PolarHBondContact O-N 3.38Å; Q115-I119 WeakPolarHBondContact O-CG1 3.02Å; Q115-I119 PolarHBondContact O-N 2.97Å
116L92.4Very high90.4Very high93 Ų9377.3 Ų77.349%0.48740%0.404SS..Hα-helixtrans-62.7-40.9176.7-69.2171.5000111.4L40 L112 E113 I119 A120L40-L116 HydrophobicContact CD2-CD2 3.91Å; L40-L116 HydrophobicContact CD2-CG 4.45Å; L112-L116 HydrophobicContact CD1-CD1 4.49Å; L112-L116 HydrophobicContact CG-CD1 4.18Å; L112-L116 WeakPolarHBondContact O-CG 3.48Å; L112-L116 PolarHBondContact O-N 3.15Å; E113-L116 PolarHBondContact O-N 2.87Å; L116-I119 PolarHBondContact O-N 3.18Å; L116-A120 WeakPolarHBondContact O-CB 3.38Å; L116-A120 PolarHBondContact O-N 2.89Å
117S93.6Very high90Very high71 Ų7176.9 Ų76.950%0.49740%0.404SS..Hα-helixtrans-63.2-43.4176.2-172.80000112.3E113 T114 Q115 A120 E121E113-S117 WeakPolarHBondContact O-CB 3.05Å; E113-S117 PolarHBondContact O-N 3.12Å; T114-S117 PolarHBondContact O-N 3.47Å; Q115-S117 VanDerWaalsContact C-N 3.31Å; Q115-S117 PolarHBondContact O-N 2.92Å; S117-A120 PolarHBondContact O-N 3.43Å; S117-E121 WeakPolarHBondContact O-CB 3.27Å; S117-E121 PolarHBondContact O-N 3.47Å
118L90.4Very high89.8Confident85 Ų8580.9 Ų80.945%0.44543%0.425SS..Hα-helixtrans-64.1-40.2177.9-73.3170.3000111.9T114 Q115 E121 E122T114-L118 HydrophobicContact CG2-CD1 4.14Å; T114-L118 HydrophobicContact CG2-CG 4.49Å; T114-L118 WeakPolarHBondContact O-CG 3.32Å; T114-L118 PolarHBondContact O-N 3.35Å; Q115-L118 PolarHBondContact O-N 3.38Å; L118-E121 PolarHBondContact O-N 3.25Å; L118-E122 WeakPolarHBondContact O-CB 3.49Å; L118-E122 PolarHBondContact O-N 2.83Å
119I88.6Confident89.5Confident56 Ų5682.4 Ų82.429%0.28743%0.432SS..Hα-helixtrans-65.7-43.8175.7-68.4168.2000110.5L40 Q115 L116 E122 Q123L40-I119 HydrophobicContact CD1-CD1 3.39Å; L40-I119 HydrophobicContact CD2-CD1 4.19Å; L40-I119 HydrophobicContact CG-CD1 3.77Å; Q115-I119 WeakPolarHBondContact O-CG1 3.02Å; Q115-I119 PolarHBondContact O-N 2.97Å; L116-I119 PolarHBondContact O-N 3.18Å; I119-E122 PolarHBondContact O-N 3.4Å; I119-Q123 HydrophobicContact CG2-CG 4.42Å; I119-Q123 WeakPolarHBondContact O-CB 3.34Å; I119-Q123 VanDerWaalsContact O-CG 3.25Å; I119-Q123 WeakPolarHBondContact O-CG 3.38Å; I119-Q123 PolarHBondContact O-N 2.87Å
120A91.2Very high89.2Confident52 Ų5287.1 Ų87.143%0.4344%0.444SS..Hα-helixtrans-63.6-40.8176.900000111.9L116 S117 Q123 H124L116-A120 WeakPolarHBondContact O-CB 3.38Å; L116-A120 PolarHBondContact O-N 2.89Å; S117-A120 PolarHBondContact O-N 3.43Å; A120-Q123 PolarHBondContact O-N 3.45Å; A120-H124 WeakPolarHBondContact O-CB 3.41Å; A120-H124 PolarHBondContact O-N 3.18Å
121E91.4Very high89.2Confident126 Ų12683 Ų8359%0.58943%0.426SS*.Hα-helixtrans-63.6-43.9175-175.5178.2-17900111.4S117 L118 H124 R125S117-E121 WeakPolarHBondContact O-CB 3.27Å; S117-E121 PolarHBondContact O-N 3.47Å; L118-E121 PolarHBondContact O-N 3.25Å; E121-H124 WeakPolarHBondContact O-CB 3.4Å; E121-H124 PolarHBondContact O-N 3.29Å; E121-R125 WeakPolarHBondContact O-CB 3.43Å; E121-R125 PolarHBondContact O-N 3.37Å
122E87.1Confident89.4Confident74 Ų7482.3 Ų82.335%0.34642%0.424SS..Hα-helixtrans-65.3-43.7177.1-179.859.3-169.600111.8L118 I119 H124 R125 L126L118-E122 WeakPolarHBondContact O-CB 3.49Å; L118-E122 PolarHBondContact O-N 2.83Å; I119-E122 PolarHBondContact O-N 3.4Å; E122-H124 VanDerWaalsContact C-N 3.29Å; E122-H124 PolarHBondContact O-N 3.35Å; E122-R125 WeakPolarHBondContact O-CB 3.5Å; E122-R125 PolarHBondContact O-N 3.22Å; E122-R125 IonicContact OE1-CZ 2.61Å; E122-R125 IonicContact OE1-NE 3.86Å; E122-R125 IonicContact OE1-NH2 2.68Å; E122-R125 PolarHBondContact OE1-NH2 3.48Å; E122-R125 IonicContact OE2-CZ 3.27Å; E122-R125 VanDerWaalsContact OE2-CZ 3.23Å; E122-R125 IonicContact OE2-NE 2.55Å; E122-R125 PolarHBondContact OE2-NE 3.24Å; E122-R125 IonicContact OE2-NH2 3.88Å; E122-R125 PolarHBondContact OE2-NH2 2.85Å; E122-L126 HydrophobicContact CG-CD1 4.28Å; E122-L126 VanDerWaalsContact O-CG 3.31Å; E122-L126 WeakPolarHBondContact O-CG 3.43Å; E122-L126 PolarHBondContact O-N 2.89Å
123Q86.5Confident89.6Confident128 Ų12880.4 Ų80.460%0.59841%0.414SS*.Hα-helixtrans-59.7-41.4173-74.5174.6-5.500111.5I119 A120 L126 S127I119-Q123 HydrophobicContact CG2-CG 4.42Å; I119-Q123 WeakPolarHBondContact O-CB 3.34Å; I119-Q123 VanDerWaalsContact O-CG 3.25Å; I119-Q123 WeakPolarHBondContact O-CG 3.38Å; I119-Q123 PolarHBondContact O-N 2.87Å; A120-Q123 PolarHBondContact O-N 3.45Å; Q123-L126 PolarHBondContact O-N 3.42Å; Q123-S127 WeakPolarHBondContact O-CB 3.16Å; Q123-S127 PolarHBondContact O-N 3.01Å
124H88.8Confident89.8Confident109 Ų10973.8 Ų73.851%0.50538%0.383SS..Hα-helixtrans-63.1-46.5174.9-177.654.2000111.3A120 E121 E122 L126 S127 L128A120-H124 WeakPolarHBondContact O-CB 3.41Å; A120-H124 PolarHBondContact O-N 3.18Å; E121-H124 WeakPolarHBondContact O-CB 3.4Å; E121-H124 PolarHBondContact O-N 3.29Å; E122-H124 VanDerWaalsContact C-N 3.29Å; E122-H124 PolarHBondContact O-N 3.35Å; H124-L126 VanDerWaalsContact C-N 3.34Å; H124-L126 PolarHBondContact O-N 2.9Å; H124-S127 WeakPolarHBondContact CA-OG 3.47Å; H124-S127 WeakPolarHBondContact O-CB 3.4Å; H124-S127 PolarHBondContact O-N 2.69Å; H124-S127 VanDerWaalsContact O-N 3.07Å; H124-S127 PolarHBondContact O-OG 2.75Å; H124-L128 WeakPolarHBondContact O-CG 3.42Å; H124-L128 PolarHBondContact O-N 3.15Å
125R86.6Confident90.2Very high143 Ų14370.3 Ų70.354%0.5436%0.362SS..Hα-helixtrans-57.4-45.8176.7-172.1177.873.8115.22.3111.8E121 E122 S127 L128E121-R125 WeakPolarHBondContact O-CB 3.43Å; E121-R125 PolarHBondContact O-N 3.37Å; E122-R125 WeakPolarHBondContact O-CB 3.5Å; E122-R125 PolarHBondContact O-N 3.22Å; E122-R125 IonicContact OE1-CZ 2.61Å; E122-R125 IonicContact OE1-NE 3.86Å; E122-R125 IonicContact OE1-NH2 2.68Å; E122-R125 PolarHBondContact OE1-NH2 3.48Å; E122-R125 IonicContact OE2-CZ 3.27Å; E122-R125 VanDerWaalsContact OE2-CZ 3.23Å; E122-R125 IonicContact OE2-NE 2.55Å; E122-R125 PolarHBondContact OE2-NE 3.24Å; E122-R125 IonicContact OE2-NH2 3.88Å; E122-R125 PolarHBondContact OE2-NH2 2.85Å; R125-S127 VanDerWaalsContact C-N 3.32Å; R125-S127 PolarHBondContact O-N 3.42Å; R125-L128 PolarHBondContact O-N 3.09Å
126L82.2Confident90.5Very high70 Ų7068.8 Ų68.837%0.36635%0.354SS..Hα-helixtrans-64.5-36.1176-67.7172.1000111.9E122 Q123 H124 L128 I129 Y193E122-L126 HydrophobicContact CG-CD1 4.28Å; E122-L126 VanDerWaalsContact O-CG 3.31Å; E122-L126 WeakPolarHBondContact O-CG 3.43Å; E122-L126 PolarHBondContact O-N 2.89Å; Q123-L126 PolarHBondContact O-N 3.42Å; H124-L126 VanDerWaalsContact C-N 3.34Å; H124-L126 PolarHBondContact O-N 2.9Å; L126-L128 PolarHBondContact O-N 2.92Å; L126-I129 HydrophobicContact CD2-CD1 4.4Å; L126-I129 PolarHBondContact O-N 3.03Å; L126-I129 VanDerWaalsContact O-N 3.12Å; L126-Y193 WeakPolarHBondContact CD2-OH 3.13Å
127S83.6Confident90.7Very high65 Ų6564.3 Ų64.346%0.45533%0.331SS..Hα-helixtrans-67.1-21.4177.677.50000114.1Q123 H124 R125 I129 H130Q123-S127 WeakPolarHBondContact O-CB 3.16Å; Q123-S127 PolarHBondContact O-N 3.01Å; H124-S127 WeakPolarHBondContact CA-OG 3.47Å; H124-S127 WeakPolarHBondContact O-CB 3.4Å; H124-S127 PolarHBondContact O-N 2.69Å; H124-S127 VanDerWaalsContact O-N 3.07Å; H124-S127 PolarHBondContact O-OG 2.75Å; R125-S127 VanDerWaalsContact C-N 3.32Å; R125-S127 PolarHBondContact O-N 3.42Å; S127-I129 VanDerWaalsContact C-N 3.28Å; S127-H130 PolarHBondContact O-CE1 3.38Å; S127-H130 PolarHBondContact O-NE2 2.84Å
128L86.1Confident90.7Very high112 Ų11261 Ų6159%0.58631%0.308SS*.THydrogen-bonded Turntrans-79.4-13175.2-64.2171.5000112.5H124 R125 L126H124-L128 WeakPolarHBondContact O-CG 3.42Å; H124-L128 PolarHBondContact O-N 3.15Å; R125-L128 PolarHBondContact O-N 3.09Å; L126-L128 PolarHBondContact O-N 2.92Å
129I85.1Confident90.9Very high53 Ų5357 Ų5727%0.27229%0.287SS..  trans-89.2113.8177.5-52.4175.4000107.7L126 S127 P131 Y193L126-I129 HydrophobicContact CD2-CD1 4.4Å; L126-I129 PolarHBondContact O-N 3.03Å; L126-I129 VanDerWaalsContact O-N 3.12Å; S127-I129 VanDerWaalsContact C-N 3.28Å; I129-P131 WeakPolarHBondContact O-CD 3.47Å; I129-Y193 HydrophobicContact CD1-CE2 3.66Å; I129-Y193 HydrophobicContact CG2-CD2 4.25Å; I129-Y193 HydrophobicContact CG2-CE1 4.39Å; I129-Y193 HydrophobicContact CG2-CE2 4.07Å; I129-Y193 HydrophobicContact CG2-CG 4.5Å
130H87.1Confident91Very high158 Ų15856.3 Ų56.373%0.73128%0.284SS*.  trans-11182.9175.5-61.2-62.1000109.3S127S127-H130 PolarHBondContact O-CE1 3.38Å; S127-H130 PolarHBondContact O-NE2 2.84Å
131P92.5Very high90.9Very high20 Ų2054.7 Ų54.713%0.1327%0.269CS..  trans-72146.4-17831.5-34.3000110.8I129 N133 T162 A164 Y193I129-P131 WeakPolarHBondContact O-CD 3.47Å; P131-N133 PolarHBondContact O-N 2.78Å; P131-T162 WeakPolarHBondContact CA-O 3.36Å; P131-T162 WeakPolarHBondContact CA-OG1 3.01Å; P131-A164 HydrophobicContact CB-CB 3.83Å; P131-A164 HydrophobicContact CG-CB 3.91Å; P131-Y193 HydrophobicContact CB-CD1 4.1Å; P131-Y193 HydrophobicContact CG-CD1 4.07Å; P131-Y193 HydrophobicContact CG-CE1 4.34Å
132C95.1Very high90.9Very high17 Ų1751.4 Ų51.412%0.11526%0.255CS..EExtended strand (participates in β ladder)trans-70.5108.5165.5-177.80000108.6V134 V160 T162 V163 A164C132-V134 PolarHBondContact O-N 2.92Å; C132-V160 HydrophobicContact CB-CB 4.48Å; C132-V160 HydrophobicContact CB-CG1 3.49Å; C132-V160 VanDerWaalsContact CB-CG1 3.49Å; C132-V160 HydrophobicContact CB-CG2 4.09Å; C132-T162 PolarHBondContact N-O 3.29Å; C132-V163 HydrophobicContact CB-CG2 4.37Å; C132-V163 WeakPolarHBondContact O-CA 3.38Å; C132-A164 PolarHBondContact O-N 2.84Å
133N97.3Very high91.1Very high11 Ų1148.1 Ų48.16%0.05924%0.24CC..EExtended strand (participates in β ladder)trans-75.1113.2176.6-59.3-55.7000110.5P131 A164 E207 H209 V210P131-N133 PolarHBondContact O-N 2.78Å; N133-A164 WeakPolarHBondContact CA-O 3.39Å; N133-A164 WeakPolarHBondContact OD1-CB 3.21Å; N133-E207 VanDerWaalsContact CB-O 3.3Å; N133-E207 WeakPolarHBondContact CB-O 3.46Å; N133-E207 WeakPolarHBondContact ND2-CB 3.17Å; N133-E207 PolarHBondContact ND2-O 3.15Å; N133-H209 PolarHBondContact N-ND1 2.94Å; N133-H209 PolarHBondContact O-N 3.39Å; N133-V210 PolarHBondContact O-N 3.03Å
134V98.2Very high91.4Very high0 Ų042 Ų420%021%0.212CC..EExtended strand (participates in β ladder)trans-111.9122.2177.6-1760000109.5C132 L151 F157 V163 A164 L165 H166 V210 I212C132-V134 PolarHBondContact O-N 2.92Å; V134-L151 HydrophobicContact CG1-CD2 3.89Å; V134-F157 HydrophobicContact CG2-CE1 4.47Å; V134-F157 HydrophobicContact CG2-CE2 4.11Å; V134-F157 HydrophobicContact CG2-CZ 3.7Å; V134-V163 HydrophobicContact CB-CG1 4.19Å; V134-V163 HydrophobicContact CG2-CG1 3.81Å; V134-A164 PolarHBondContact N-O 3.34Å; V134-L165 HydrophobicContact CB-CD1 4.31Å; V134-L165 HydrophobicContact CG1-CD1 4.38Å; V134-H166 PolarHBondContact O-N 3.48Å; V134-V210 WeakPolarHBondContact CA-O 3.41Å; V134-V210 HydrophobicContact CG1-CB 4.08Å; V134-V210 HydrophobicContact CG1-CG1 4.24Å; V134-V210 HydrophobicContact CG2-CB 4.21Å; V134-I212 HydrophobicContact CG1-CD1 4.41Å
135W98.6Very high91.5Very high1 Ų141.3 Ų41.30%0.00421%0.208CC..EExtended strand (participates in β ladder)trans-104.4131.5179.8-73.976.9000110.8H166 H198 Q203 A204 F205 H206 A208 V210 V211 I212W135-H166 CarbonylContact C-O 3.52Å; W135-H166 WeakPolarHBondContact CA-O 3.19Å; W135-H166 HydrophobicContact CD2-CB 3.33Å; W135-H166 AromaticContact CD2-CG 3.94Å; W135-H166 VanDerWaalsContact CE2-CB 3.49Å; W135-H166 AromaticContact CE2-CG 3.52Å; W135-H166 AromaticContact CE2-ND1 3.67Å; W135-H166 HydrophobicContact CE3-CB 3.5Å; W135-H166 HydrophobicContact CG-CB 3.82Å; W135-H166 HydrophobicContact CH2-CB 3.95Å; W135-H166 AromaticContact CH2-ND1 3.57Å; W135-H166 HydrophobicContact CZ2-CB 3.83Å; W135-H166 AromaticContact CZ2-CE1 3.94Å; W135-H166 AromaticContact CZ2-CG 3.6Å; W135-H166 AromaticContact CZ2-ND1 3.23Å; W135-H166 WeakPolarHBondContact CZ2-ND1 3.45Å; W135-H166 HydrophobicContact CZ3-CB 3.8Å; W135-H166 AromaticContact NE1-CG 3.86Å; W135-H198 AromaticContact CH2-CD2 3.92Å; W135-H198 AromaticContact CH2-CE1 3.7Å; W135-H198 AromaticContact CH2-NE2 3.56Å; W135-H198 AromaticContact CZ3-CD2 3.65Å; W135-H198 AromaticContact CZ3-CG 3.99Å; W135-H198 AromaticContact CZ3-NE2 3.8Å; W135-Q203 WeakPolarHBondContact CH2-O 3.48Å; W135-Q203 WeakPolarHBondContact CZ2-O 3.23Å; W135-A204 HydrophobicContact CZ3-CB 4.44Å; W135-F205 HydrophobicContact CB-CD1 3.94Å; W135-F205 HydrophobicContact CB-CE1 4.25Å; W135-F205 HydrophobicContact CD2-CD1 4.06Å; W135-F205 HydrophobicContact CE3-CD1 4.17Å; W135-F205 HydrophobicContact CE3-CE1 4.49Å; W135-F205 AromaticContact CG-CD1 3.97Å; W135-F205 HydrophobicContact CG-CD1 3.97Å; W135-H206 PolarHBondContact NE1-O 3.1Å; W135-A208 HydrophobicContact CG-CB 4.22Å; W135-V210 PolarHBondContact N-O 3.49Å; W135-V211 HydrophobicContact CB-CG1 4.38Å; W135-V211 HydrophobicContact CB-CG2 4.3Å; W135-V211 CarbonylContact O-C 3.51Å; W135-V211 WeakPolarHBondContact O-CA 3.33Å; W135-I212 PolarHBondContact O-N 3.1Å
136I98.3Very high91.9Very high0 Ų036.6 Ų36.60%019%0.193CC..EExtended strand (participates in β ladder)trans-121.5116.5172.8-54.2-179.6000108.5L147 I148 L151 L165 H166 L167 L168 I212 L214I136-L147 HydrophobicContact CD1-CD2 4.29Å; I136-I148 HydrophobicContact CD1-CG1 4.16Å; I136-L151 HydrophobicContact CD1-CD2 3.79Å; I136-L151 HydrophobicContact CG1-CD2 4.49Å; I136-L165 HydrophobicContact CD1-CD1 3.88Å; I136-L165 HydrophobicContact CG1-CD1 4.17Å; I136-H166 PolarHBondContact N-O 2.87Å; I136-L167 HydrophobicContact CB-CD2 4.11Å; I136-L167 HydrophobicContact CD1-CD2 4.21Å; I136-L167 HydrophobicContact CG1-CD2 4.45Å; I136-L168 PolarHBondContact O-N 3.12Å; I136-I212 WeakPolarHBondContact CA-O 3.47Å; I136-I212 HydrophobicContact CG1-CB 4.4Å; I136-L214 HydrophobicContact CG2-CD1 3.69Å; I136-L214 HydrophobicContact CG2-CG 4.22Å
137T97Very high92.5Very high0 Ų033.2 Ų33.20%018%0.176CC..EExtended strand (participates in β ladder)trans-86.9160.9169.580.30000110.2A139 L168 F205 I212 L213 L214 D215 Y243T137-A139 VanDerWaalsContact C-N 3.26Å; T137-A139 PolarHBondContact O-N 3.15Å; T137-L168 CarbonylContact C-O 3.6Å; T137-L168 WeakPolarHBondContact CA-O 3.42Å; T137-L168 HydrophobicContact CG2-CD2 4.13Å; T137-F205 HydrophobicContact CG2-CE1 3.8Å; T137-F205 HydrophobicContact CG2-CZ 3.76Å; T137-I212 PolarHBondContact N-O 3.12Å; T137-L213 HydrophobicContact CG2-CD2 4.36Å; T137-L213 HydrophobicContact CG2-CG 4.22Å; T137-L213 VanDerWaalsContact OG1-CA 3.25Å; T137-L213 WeakPolarHBondContact OG1-CA 3.28Å; T137-L214 VanDerWaalsContact O-CB 3.3Å; T137-L214 WeakPolarHBondContact O-CB 3.29Å; T137-L214 PolarHBondContact O-N 2.98Å; T137-L214 PolarHBondContact OG1-N 2.85Å; T137-D215 WeakPolarHBondContact CB-OD2 3.11Å; T137-D215 VanDerWaalsContact OG1-CG 3.31Å; T137-D215 PolarHBondContact OG1-OD2 3.15Å; T137-Y243 HydrophobicContact CG2-CE2 4.32Å
138G92.8Very high93.1Very high1 Ų130.3 Ų30.31%0.0116%0.155CC..SBendtrans63.934.8-173.500000111.9L140 C141 L168 H169 D215G138-L140 VanDerWaalsContact C-N 3.25Å; G138-L140 PolarHBondContact O-N 3.22Å; G138-L140 VanDerWaalsContact O-N 3.08Å; G138-C141 VanDerWaalsContact O-CB 3.31Å; G138-C141 WeakPolarHBondContact O-CB 3.46Å; G138-C141 PolarHBondContact O-N 3.44Å; G138-C141 PolarHBondContact O-SG 3.4Å; G138-L168 PolarHBondContact N-O 2.95Å; G138-H169 WeakPolarHBondContact CA-ND1 3.21Å; G138-D215 PolarHBondContact N-OD1 2.88Å
139A94.6Very high93.4Very high0 Ų027.4 Ų27.40%014%0.143CC..THydrogen-bonded Turntrans-57.1-30.2-167.200000115.7T137 C141 S144 L167 L168 H169 M177 L180T137-A139 VanDerWaalsContact C-N 3.26Å; T137-A139 PolarHBondContact O-N 3.15Å; A139-C141 VanDerWaalsContact C-N 3.28Å; A139-C141 PolarHBondContact O-N 3.23Å; A139-S144 WeakPolarHBondContact O-CB 3.48Å; A139-S144 PolarHBondContact O-OG 3.08Å; A139-L167 HydrophobicContact CB-CB 3.74Å; A139-L167 HydrophobicContact CB-CD2 4.22Å; A139-L167 HydrophobicContact CB-CG 4.49Å; A139-L168 PolarHBondContact N-O 3.28Å; A139-L168 VanDerWaalsContact N-O 3.11Å; A139-H169 HydrophobicContact CB-CB 4.41Å; A139-H169 PolarHBondContact N-ND1 3.38Å; A139-M177 HydrophobicContact CB-CE 4.16Å; A139-L180 HydrophobicContact CB-CD2 4.06Å; A139-L180 WeakPolarHBondContact O-CD2 3.29Å
140L92Very high93.7Very high42 Ų4230.1 Ų30.122%0.2215%0.153CC..THydrogen-bonded Turntrans-78.6-4.7176.4-61.4176.9000114.1G138 H169 D176 M177 L180G138-L140 VanDerWaalsContact C-N 3.25Å; G138-L140 PolarHBondContact O-N 3.22Å; G138-L140 VanDerWaalsContact O-N 3.08Å; L140-H169 HydrophobicContact CD1-CB 4.46Å; L140-H169 HydrophobicContact CG-CB 4.28Å; L140-H169 PolarHBondContact N-ND1 3.11Å; L140-D176 HydrophobicContact CD1-CB 4.03Å; L140-D176 HydrophobicContact CD2-CB 4.09Å; L140-M177 HydrophobicContact CD1-CG 4.47Å; L140-M177 HydrophobicContact CD1-SD 4Å; L140-M177 HydrophobicContact CD2-SD 3.74Å; L140-M177 HydrophobicContact CG-SD 3.64Å; L140-L180 HydrophobicContact CD2-CB 4.38Å; L140-L180 HydrophobicContact CD2-CD2 4.08Å
141C89.1Confident94Very high18 Ų1822.6 Ų22.612%0.12212%0.118CC..SBendtrans-70.3152176.578.90000111.2G138 A139 T143 S144 Q145G138-C141 VanDerWaalsContact O-CB 3.31Å; G138-C141 WeakPolarHBondContact O-CB 3.46Å; G138-C141 PolarHBondContact O-N 3.44Å; G138-C141 PolarHBondContact O-SG 3.4Å; A139-C141 VanDerWaalsContact C-N 3.28Å; A139-C141 PolarHBondContact O-N 3.23Å; C141-T143 PolarHBondContact O-N 2.97Å; C141-S144 WeakPolarHBondContact O-CB 3.35Å; C141-S144 PolarHBondContact O-N 2.97Å; C141-S144 PolarHBondContact SG-N 3.46Å; C141-Q145 PolarHBondContact O-N 3.5Å
142L89.4Confident93.8Very high58 Ų5822 Ų2230%0.30411%0.114SC..Hα-helixtrans-59.9-33.4179.8-177.662.2000112.4S144 Q145 I146 R380 A383L142-S144 VanDerWaalsContact C-N 3.33Å; L142-S144 PolarHBondContact O-N 3.33Å; L142-Q145 PolarHBondContact O-N 2.87Å; L142-I146 HydrophobicContact CD1-CD1 3.97Å; L142-I146 HydrophobicContact CD1-CG1 4.14Å; L142-I146 HydrophobicContact CD2-CD1 4.37Å; L142-I146 HydrophobicContact CG-CD1 3.78Å; L142-I146 HydrophobicContact CG-CG1 4.34Å; L142-I146 VanDerWaalsContact O-CG1 3.28Å; L142-I146 WeakPolarHBondContact O-CG1 3.23Å; L142-I146 PolarHBondContact O-N 3.44Å; L142-R380 HydrophobicContact CD2-CB 3.69Å; L142-R380 HydrophobicContact CD2-CG 3.69Å; L142-A383 HydrophobicContact CB-CB 4.2Å; L142-A383 HydrophobicContact CD2-CB 4.12Å; L142-A383 HydrophobicContact CG-CB 3.96Å
143T91.4Very high93.2Very high4 Ų422.9 Ų22.93%0.02512%0.12CC..Hα-helixtrans-60.4-43.6176.3-54.50000111.3C141 L147 L214 A383 A386 T387 I390C141-T143 PolarHBondContact O-N 2.97Å; T143-L147 WeakPolarHBondContact O-CB 3.3Å; T143-L147 PolarHBondContact O-N 3.33Å; T143-L214 HydrophobicContact CG2-CD1 4.01Å; T143-L214 HydrophobicContact CG2-CD2 4.13Å; T143-A383 VanDerWaalsContact OG1-CA 3.27Å; T143-A383 WeakPolarHBondContact OG1-CA 3.24Å; T143-A383 VanDerWaalsContact OG1-CB 3.31Å; T143-A383 WeakPolarHBondContact OG1-CB 3.34Å; T143-A386 HydrophobicContact CG2-CB 3.72Å; T143-T387 PolarHBondContact O-OG1 2.98Å; T143-I390 HydrophobicContact CG2-CD1 4.15Å
144S93.8Very high92.3Very high0 Ų028.5 Ų28.50%015%0.15CC..Hα-helixtrans-61.9-51.6177.6174.70000111.1A139 C141 L142 I146 L147 I148A139-S144 WeakPolarHBondContact O-CB 3.48Å; A139-S144 PolarHBondContact O-OG 3.08Å; C141-S144 WeakPolarHBondContact O-CB 3.35Å; C141-S144 PolarHBondContact O-N 2.97Å; C141-S144 PolarHBondContact SG-N 3.46Å; L142-S144 VanDerWaalsContact C-N 3.33Å; L142-S144 PolarHBondContact O-N 3.33Å; S144-I146 VanDerWaalsContact C-N 3.29Å; S144-I146 PolarHBondContact O-N 3.43Å; S144-L147 WeakPolarHBondContact O-CB 3.35Å; S144-L147 PolarHBondContact O-N 2.86Å; S144-I148 VanDerWaalsContact O-CG1 3.3Å; S144-I148 WeakPolarHBondContact O-CG1 3.37Å; S144-I148 PolarHBondContact O-N 2.87Å
145Q91.8Very high91.5Very high94 Ų9434.8 Ų34.844%0.43918%0.18SC..Hα-helixtrans-59.3-39-178.9-66.5177.6-10.200112.7C141 L142 P149 L180C141-Q145 PolarHBondContact O-N 3.5Å; L142-Q145 PolarHBondContact O-N 2.87Å; Q145-P149 WeakPolarHBondContact O-CD 3.34Å; Q145-L180 HydrophobicContact CG-CD1 4.15Å
146I93.8Very high90.9Very high44 Ų4434.8 Ų34.823%0.22618%0.18CC..Hα-helixtrans-71.9-38.3175.2-63.4171.9000110.8L142 S144 P149 F150 A383 I384 T387L142-I146 HydrophobicContact CD1-CD1 3.97Å; L142-I146 HydrophobicContact CD1-CG1 4.14Å; L142-I146 HydrophobicContact CD2-CD1 4.37Å; L142-I146 HydrophobicContact CG-CD1 3.78Å; L142-I146 HydrophobicContact CG-CG1 4.34Å; L142-I146 VanDerWaalsContact O-CG1 3.28Å; L142-I146 WeakPolarHBondContact O-CG1 3.23Å; L142-I146 PolarHBondContact O-N 3.44Å; S144-I146 VanDerWaalsContact C-N 3.29Å; S144-I146 PolarHBondContact O-N 3.43Å; I146-P149 WeakPolarHBondContact O-CD 3.43Å; I146-P149 WeakPolarHBondContact O-CG 3.12Å; I146-F150 HydrophobicContact CG2-CE2 4.13Å; I146-F150 WeakPolarHBondContact O-CD2 3.34Å; I146-F150 WeakPolarHBondContact O-CE2 3.45Å; I146-A383 HydrophobicContact CD1-CB 4.05Å; I146-I384 HydrophobicContact CD1-CG1 3.87Å; I146-T387 HydrophobicContact CG2-CG2 4.15Å
147L95.1Very high90.3Very high0 Ų034.9 Ų34.90%018%0.18CC..Hα-helixtrans-67.8-43.8-176.1173.665.9000113.2I136 T143 S144 F150 L151 I212 L214 T387 I390 L391I136-L147 HydrophobicContact CD1-CD2 4.29Å; T143-L147 WeakPolarHBondContact O-CB 3.3Å; T143-L147 PolarHBondContact O-N 3.33Å; S144-L147 WeakPolarHBondContact O-CB 3.35Å; S144-L147 PolarHBondContact O-N 2.86Å; L147-F150 PolarHBondContact O-N 3.31Å; L147-L151 HydrophobicContact CD1-CB 4.17Å; L147-L151 HydrophobicContact CG-CB 4.15Å; L147-L151 HydrophobicContact CG-CD2 4.49Å; L147-L151 WeakPolarHBondContact O-CB 3.26Å; L147-L151 PolarHBondContact O-N 3.07Å; L147-I212 HydrophobicContact CD2-CD1 3.89Å; L147-I212 HydrophobicContact CD2-CG2 4.17Å; L147-L214 HydrophobicContact CD2-CD1 4.35Å; L147-T387 HydrophobicContact CB-CG2 4.05Å; L147-T387 HydrophobicContact CD1-CG2 3.92Å; L147-I390 HydrophobicContact CD1-CB 4.32Å; L147-I390 HydrophobicContact CD1-CG2 3.83Å; L147-I390 HydrophobicContact CD2-CD1 4.11Å; L147-I390 HydrophobicContact CD2-CG2 3.95Å; L147-L391 HydrophobicContact CD1-CD2 4.01Å; L147-L391 HydrophobicContact CD1-CG 4.08Å
148I95.5Very high89.7Confident3 Ų338.3 Ų38.32%0.01520%0.202CC..Hα-helixtrans-45.1-54.7-173.7-73.2166.2000113.7I136 S144 F150 L151 L152 L165 L167 L180 T184 L187I136-I148 HydrophobicContact CD1-CG1 4.16Å; S144-I148 VanDerWaalsContact O-CG1 3.3Å; S144-I148 WeakPolarHBondContact O-CG1 3.37Å; S144-I148 PolarHBondContact O-N 2.87Å; I148-F150 VanDerWaalsContact C-N 3.29Å; I148-F150 PolarHBondContact O-N 3.02Å; I148-L151 PolarHBondContact O-N 3.24Å; I148-L152 HydrophobicContact CG2-CD1 3.94Å; I148-L152 WeakPolarHBondContact O-CG 3.49Å; I148-L152 PolarHBondContact O-N 2.95Å; I148-L152 VanDerWaalsContact O-N 3.11Å; I148-L165 HydrophobicContact CD1-CD2 4.45Å; I148-L165 HydrophobicContact CG1-CD2 4.14Å; I148-L165 HydrophobicContact CG2-CD2 4.12Å; I148-L167 HydrophobicContact CD1-CD1 4.38Å; I148-L167 HydrophobicContact CD1-CD2 4.09Å; I148-L180 HydrophobicContact CD1-CD1 4.26Å; I148-T184 HydrophobicContact CG2-CG2 3.59Å; I148-L187 HydrophobicContact CG2-CD1 4.02Å
149P92.8Very high89.3Confident51 Ų5145 Ų4533%0.33124%0.238SC..Hα-helixtrans-64.9-30.5-17824.5-35.4000113.5Q145 I146 L187Q145-P149 WeakPolarHBondContact O-CD 3.34Å; I146-P149 WeakPolarHBondContact O-CD 3.43Å; I146-P149 WeakPolarHBondContact O-CG 3.12Å; P149-L187 HydrophobicContact CB-CD1 4.28Å
150F92.7Very high89Confident111 Ų11146.6 Ų46.649%0.48725%0.248SC..Hα-helixtrans-83.3-31.1177.7-61.3-71.8000112.9I146 L147 I148 L152 S153 T387 L391I146-F150 HydrophobicContact CG2-CE2 4.13Å; I146-F150 WeakPolarHBondContact O-CD2 3.34Å; I146-F150 WeakPolarHBondContact O-CE2 3.45Å; L147-F150 PolarHBondContact O-N 3.31Å; I148-F150 VanDerWaalsContact C-N 3.29Å; I148-F150 PolarHBondContact O-N 3.02Å; F150-L152 VanDerWaalsContact C-N 3.27Å; F150-S153 WeakPolarHBondContact O-CB 3.3Å; F150-S153 PolarHBondContact O-N 3.39Å; F150-S153 PolarHBondContact O-OG 3.17Å; F150-T387 HydrophobicContact CD2-CG2 4.16Å; F150-L391 HydrophobicContact CB-CD1 3.51Å; F150-L391 HydrophobicContact CB-CD2 3.99Å; F150-L391 HydrophobicContact CB-CG 4.35Å; F150-L391 HydrophobicContact CG-CD1 4.07Å
151L92.8Very high88.8Confident0 Ų053.1 Ų53.10%028%0.277CS..Hα-helixtrans-65.5-36175.8-179.367.6000110.9V134 I136 L147 I148 S153 A156 F157 L165 I212 L394V134-L151 HydrophobicContact CG1-CD2 3.89Å; I136-L151 HydrophobicContact CD1-CD2 3.79Å; I136-L151 HydrophobicContact CG1-CD2 4.49Å; L147-L151 HydrophobicContact CD1-CB 4.17Å; L147-L151 HydrophobicContact CG-CB 4.15Å; L147-L151 HydrophobicContact CG-CD2 4.49Å; L147-L151 WeakPolarHBondContact O-CB 3.26Å; L147-L151 PolarHBondContact O-N 3.07Å; I148-L151 PolarHBondContact O-N 3.24Å; L151-S153 PolarHBondContact O-N 2.92Å; L151-A156 WeakPolarHBondContact O-CB 3.38Å; L151-F157 HydrophobicContact CD1-CE2 3.45Å; L151-F157 VanDerWaalsContact CD1-CE2 3.45Å; L151-F157 HydrophobicContact CD1-CZ 3.85Å; L151-F157 HydrophobicContact CG-CE2 3.87Å; L151-F157 VanDerWaalsContact O-CD2 3.23Å; L151-F157 WeakPolarHBondContact O-CD2 3.41Å; L151-F157 WeakPolarHBondContact O-CE2 3.17Å; L151-L165 HydrophobicContact CD2-CD1 4.23Å; L151-I212 HydrophobicContact CD1-CD1 4.08Å; L151-I212 HydrophobicContact CD2-CD1 4.18Å; L151-L394 HydrophobicContact CD1-CD1 3.39Å
152L88.1Confident89Confident7 Ų753.9 Ų53.94%0.03728%0.281CS..THydrogen-bonded Turntrans-86.330.1178.7-63.9170.4000112.8I148 F150 V163 L165 L189 L192I148-L152 HydrophobicContact CG2-CD1 3.94Å; I148-L152 WeakPolarHBondContact O-CG 3.49Å; I148-L152 PolarHBondContact O-N 2.95Å; I148-L152 VanDerWaalsContact O-N 3.11Å; F150-L152 VanDerWaalsContact C-N 3.27Å; L152-V163 HydrophobicContact CD2-CB 3.83Å; L152-V163 HydrophobicContact CD2-CG1 3.65Å; L152-V163 HydrophobicContact CD2-CG2 4.42Å; L152-L165 HydrophobicContact CD1-CD2 4.43Å; L152-L189 HydrophobicContact CB-CD1 3.49Å; L152-L189 VanDerWaalsContact CB-CD1 3.49Å; L152-L189 HydrophobicContact CD1-CD1 3.89Å; L152-L189 HydrophobicContact CG-CD1 4.36Å; L152-L192 HydrophobicContact CD1-CB 4.2Å; L152-L192 HydrophobicContact CD1-CD1 3.95Å; L152-L192 HydrophobicContact CD1-CD2 4.16Å; L152-L192 HydrophobicContact CD1-CG 4.33Å; L152-L192 HydrophobicContact CD2-CB 4.43Å; L152-L192 HydrophobicContact CD2-CD1 4.07Å
153S83Confident89.3Confident35 Ų3551.1 Ų51.125%0.24527%0.266CS..SBendtrans-110.8153176.474.10000111.7F150 L151 E155 A156 F157F150-S153 WeakPolarHBondContact O-CB 3.3Å; F150-S153 PolarHBondContact O-N 3.39Å; F150-S153 PolarHBondContact O-OG 3.17Å; L151-S153 PolarHBondContact O-N 2.92Å; S153-E155 PolarHBondContact O-N 3.23Å; S153-A156 PolarHBondContact O-N 3Å; S153-F157 PolarHBondContact O-N 3.45Å
154D78.4Confident89.5Confident129 Ų12950.9 Ų50.969%0.6927%0.265SS*.THydrogen-bonded Turntrans-57.3-23.2177.8-57.8-17.2000112.7F157 P158D154-F157 CarbonylContact O-C 3.53Å; D154-P158 VanDerWaalsContact O-CA 3.28Å; D154-P158 WeakPolarHBondContact O-CA 3.45Å
155E81.6Confident89.7Confident133 Ų13350.9 Ų50.962%0.62127%0.265SS*.THydrogen-bonded Turntrans-72.9-29.2178-59.4-170.2169.100113.2S153 K395S153-E155 PolarHBondContact O-N 3.23Å; E155-K395 WeakPolarHBondContact O-CG 3.48Å; E155-K395 IonicContact OE2-NZ 2.83Å; E155-K395 PolarHBondContact OE2-NZ 3.26Å
156A84.1Confident90Very high0 Ų047.3 Ų47.30%025%0.249CC..THydrogen-bonded Turntrans-84.6-31.9-179.600000111.8L151 S153 L391 H398L151-A156 WeakPolarHBondContact O-CB 3.38Å; S153-A156 PolarHBondContact O-N 3Å; A156-L391 HydrophobicContact CB-CD2 4.16Å; A156-H398 PolarHBondContact O-CE1 2.93Å; A156-H398 PolarHBondContact O-ND1 3.21Å; A156-H398 VanDerWaalsContact O-ND1 3.12Å
157F86.6Confident90.2Very high3 Ų345.2 Ų45.21%0.01324%0.238CC..  trans-139.574.1-177.5-64.8-70.8000112.2V134 L151 S153 D154 D159 V160 V163 L191 V210 H398V134-F157 HydrophobicContact CG2-CE1 4.47Å; V134-F157 HydrophobicContact CG2-CE2 4.11Å; V134-F157 HydrophobicContact CG2-CZ 3.7Å; L151-F157 HydrophobicContact CD1-CE2 3.45Å; L151-F157 VanDerWaalsContact CD1-CE2 3.45Å; L151-F157 HydrophobicContact CD1-CZ 3.85Å; L151-F157 HydrophobicContact CG-CE2 3.87Å; L151-F157 VanDerWaalsContact O-CD2 3.23Å; L151-F157 WeakPolarHBondContact O-CD2 3.41Å; L151-F157 WeakPolarHBondContact O-CE2 3.17Å; S153-F157 PolarHBondContact O-N 3.45Å; D154-F157 CarbonylContact O-C 3.53Å; F157-D159 VanDerWaalsContact C-N 3.3Å; F157-D159 PolarHBondContact O-N 3.35Å; F157-V160 HydrophobicContact CB-CB 3.75Å; F157-V160 HydrophobicContact CB-CG2 3.73Å; F157-V160 HydrophobicContact CD1-CG2 3.95Å; F157-V160 HydrophobicContact CG-CB 4.48Å; F157-V160 HydrophobicContact CG-CG2 4.15Å; F157-V160 PolarHBondContact O-N 2.98Å; F157-V163 HydrophobicContact CD2-CG2 4.19Å; F157-V163 HydrophobicContact CE2-CG2 4.46Å; F157-L191 HydrophobicContact CB-CD2 4.32Å; F157-L191 HydrophobicContact CD2-CD2 4.36Å; F157-V210 HydrophobicContact CE1-CG2 3.91Å; F157-V210 HydrophobicContact CZ-CG2 4.16Å; F157-H398 AromaticContact CD1-CE1 3.48Å; F157-H398 VanDerWaalsContact CD1-CE1 3.48Å; F157-H398 WeakPolarHBondContact CD1-CE1 3.29Å; F157-H398 AromaticContact CD1-NE2 3.64Å; F157-H398 AromaticContact CE1-CE1 3.89Å
158P84Confident90.3Very high72 Ų7245.2 Ų45.247%0.46824%0.238SC..THydrogen-bonded Turntrans-65.1-29.5-172.924.4-34.8000114.5D154 H398D154-P158 VanDerWaalsContact O-CA 3.28Å; D154-P158 WeakPolarHBondContact O-CA 3.45Å; P158-H398 HydrophobicContact CG-CB 3.88Å
159D85.6Confident90.3Very high142 Ų14246.7 Ų46.776%0.75925%0.245SC*.THydrogen-bonded Turntrans-103.36.7-175.6-60.3-49.5000113.3F157F157-D159 VanDerWaalsContact C-N 3.3Å; F157-D159 PolarHBondContact O-N 3.35Å
160V87.9Confident90.2Very high33 Ų3346.7 Ų46.720%0.224%0.241CC..  trans-98.5129.4-178.2176.90000109.4C132 F157 T162 V163 L191C132-V160 HydrophobicContact CB-CB 4.48Å; C132-V160 HydrophobicContact CB-CG1 3.49Å; C132-V160 VanDerWaalsContact CB-CG1 3.49Å; C132-V160 HydrophobicContact CB-CG2 4.09Å; F157-V160 HydrophobicContact CB-CB 3.75Å; F157-V160 HydrophobicContact CB-CG2 3.73Å; F157-V160 HydrophobicContact CD1-CG2 3.95Å; F157-V160 HydrophobicContact CG-CB 4.48Å; F157-V160 HydrophobicContact CG-CG2 4.15Å; F157-V160 PolarHBondContact O-N 2.98Å; V160-T162 WeakPolarHBondContact CG1-O 3.48Å; V160-V163 HydrophobicContact CG1-CG2 3.86Å; V160-L191 HydrophobicContact CG1-CD1 4.34Å; V160-L191 WeakPolarHBondContact O-CD1 3.35Å
161Q87.7Confident89.8Confident179 Ų17946.1 Ų46.184%0.83625%0.251SS*.SBendtrans-80.9-38.7177.3-66.1-175.6-100112.5
162T92.7Very high89.2Confident33 Ų3346.9 Ų46.920%0.20226%0.259CS..  trans-147.6146.8-177.9540000111.3P131 C132 V160 L191P131-T162 WeakPolarHBondContact CA-O 3.36Å; P131-T162 WeakPolarHBondContact CA-OG1 3.01Å; C132-T162 PolarHBondContact N-O 3.29Å; V160-T162 WeakPolarHBondContact CG1-O 3.48Å; T162-L191 CarbonylContact C-O 3.58Å; T162-L191 WeakPolarHBondContact CA-O 3.29Å
163V95.3Very high89.2Confident0 Ų050.9 Ų50.90%028%0.28CS..EExtended strand (participates in β ladder)trans-118129.2177.5170.50000109.2C132 V134 L152 F157 V160 L191 Y193C132-V163 HydrophobicContact CB-CG2 4.37Å; C132-V163 WeakPolarHBondContact O-CA 3.38Å; V134-V163 HydrophobicContact CB-CG1 4.19Å; V134-V163 HydrophobicContact CG2-CG1 3.81Å; L152-V163 HydrophobicContact CD2-CB 3.83Å; L152-V163 HydrophobicContact CD2-CG1 3.65Å; L152-V163 HydrophobicContact CD2-CG2 4.42Å; F157-V163 HydrophobicContact CD2-CG2 4.19Å; F157-V163 HydrophobicContact CE2-CG2 4.46Å; V160-V163 HydrophobicContact CG1-CG2 3.86Å; V163-L191 HydrophobicContact CB-CG 4.34Å; V163-L191 HydrophobicContact CG2-CD1 4.48Å; V163-L191 HydrophobicContact CG2-CD2 3.75Å; V163-L191 HydrophobicContact CG2-CG 3.81Å; V163-L191 PolarHBondContact N-O 3.37Å; V163-Y193 PolarHBondContact O-N 2.86Å
164A96.4Very high89.6Confident0 Ų055.8 Ų55.80%030%0.299CS..EExtended strand (participates in β ladder)trans-97.6116.4164.400000107.7P131 C132 N133 V134 H166P131-A164 HydrophobicContact CB-CB 3.83Å; P131-A164 HydrophobicContact CG-CB 3.91Å; C132-A164 PolarHBondContact O-N 2.84Å; N133-A164 WeakPolarHBondContact CA-O 3.39Å; N133-A164 WeakPolarHBondContact OD1-CB 3.21Å; V134-A164 PolarHBondContact N-O 3.34Å; A164-H166 PolarHBondContact O-CD2 3.35Å
165L97.9Very high90.4Very high0 Ų056.5 Ų56.50%030%0.299CS..EExtended strand (participates in β ladder)trans-97.3120.8-175.8-172.966000110.3V134 I136 I148 L151 L152 L167 T184 L192 R194 V195 T196V134-L165 HydrophobicContact CB-CD1 4.31Å; V134-L165 HydrophobicContact CG1-CD1 4.38Å; I136-L165 HydrophobicContact CD1-CD1 3.88Å; I136-L165 HydrophobicContact CG1-CD1 4.17Å; I148-L165 HydrophobicContact CD1-CD2 4.45Å; I148-L165 HydrophobicContact CG1-CD2 4.14Å; I148-L165 HydrophobicContact CG2-CD2 4.12Å; L151-L165 HydrophobicContact CD2-CD1 4.23Å; L152-L165 HydrophobicContact CD1-CD2 4.43Å; L165-L167 HydrophobicContact CD1-CD2 4.28Å; L165-L167 HydrophobicContact CD2-CD1 4.48Å; L165-L167 HydrophobicContact CD2-CD2 3.93Å; L165-L167 HydrophobicContact CD2-CG 4.3Å; L165-L167 HydrophobicContact CG-CD2 3.86Å; L165-L167 HydrophobicContact CG-CG 4.17Å; L165-T184 HydrophobicContact CD2-CG2 3.94Å; L165-L192 HydrophobicContact CB-CD1 4.05Å; L165-R194 PolarHBondContact N-O 3.13Å; L165-V195 CarbonylContact O-C 3.6Å; L165-V195 WeakPolarHBondContact O-CA 3.38Å; L165-T196 PolarHBondContact O-N 2.89Å
166H98.4Very high91Very high19 Ų1954.5 Ų54.59%0.08829%0.292CS..EExtended strand (participates in β ladder)trans-110.2115.1178.6-66.6-109.6000109.5V134 W135 I136 A164 T196 H198V134-H166 PolarHBondContact O-N 3.48Å; W135-H166 CarbonylContact C-O 3.52Å; W135-H166 WeakPolarHBondContact CA-O 3.19Å; W135-H166 HydrophobicContact CD2-CB 3.33Å; W135-H166 AromaticContact CD2-CG 3.94Å; W135-H166 VanDerWaalsContact CE2-CB 3.49Å; W135-H166 AromaticContact CE2-CG 3.52Å; W135-H166 AromaticContact CE2-ND1 3.67Å; W135-H166 HydrophobicContact CE3-CB 3.5Å; W135-H166 HydrophobicContact CG-CB 3.82Å; W135-H166 HydrophobicContact CH2-CB 3.95Å; W135-H166 AromaticContact CH2-ND1 3.57Å; W135-H166 HydrophobicContact CZ2-CB 3.83Å; W135-H166 AromaticContact CZ2-CE1 3.94Å; W135-H166 AromaticContact CZ2-CG 3.6Å; W135-H166 AromaticContact CZ2-ND1 3.23Å; W135-H166 WeakPolarHBondContact CZ2-ND1 3.45Å; W135-H166 HydrophobicContact CZ3-CB 3.8Å; W135-H166 AromaticContact NE1-CG 3.86Å; I136-H166 PolarHBondContact N-O 2.87Å; A164-H166 PolarHBondContact O-CD2 3.35Å; H166-T196 CarbonylContact C-O 3.56Å; H166-T196 WeakPolarHBondContact CA-O 3.32Å; H166-H198 AromaticContact ND1-NE2 3.31Å; H166-H198 PolarHBondContact ND1-NE2 3.28Å
167L97.9Very high91.6Very high0 Ų054.6 Ų54.60%029%0.292CS..EExtended strand (participates in β ladder)trans-106.7112.4-174.8-63.2-179.4000109.4I136 A139 I148 L165 M177 L180 V195 T196 V197 H198I136-L167 HydrophobicContact CB-CD2 4.11Å; I136-L167 HydrophobicContact CD1-CD2 4.21Å; I136-L167 HydrophobicContact CG1-CD2 4.45Å; A139-L167 HydrophobicContact CB-CB 3.74Å; A139-L167 HydrophobicContact CB-CD2 4.22Å; A139-L167 HydrophobicContact CB-CG 4.49Å; I148-L167 HydrophobicContact CD1-CD1 4.38Å; I148-L167 HydrophobicContact CD1-CD2 4.09Å; L165-L167 HydrophobicContact CD1-CD2 4.28Å; L165-L167 HydrophobicContact CD2-CD1 4.48Å; L165-L167 HydrophobicContact CD2-CD2 3.93Å; L165-L167 HydrophobicContact CD2-CG 4.3Å; L165-L167 HydrophobicContact CG-CD2 3.86Å; L165-L167 HydrophobicContact CG-CG 4.17Å; L167-M177 HydrophobicContact CB-CE 4.21Å; L167-M177 VanDerWaalsContact O-CE 3.26Å; L167-M177 WeakPolarHBondContact O-CE 3.3Å; L167-L180 HydrophobicContact CD1-CD2 3.84Å; L167-L180 HydrophobicContact CD1-CG 3.91Å; L167-V195 HydrophobicContact CD1-CG1 3.74Å; L167-V195 HydrophobicContact CG-CG1 4.25Å; L167-T196 PolarHBondContact N-O 2.92Å; L167-V197 HydrophobicContact CB-CG1 4.15Å; L167-V197 HydrophobicContact CD1-CG1 4.4Å; L167-V197 CarbonylContact O-C 3.44Å; L167-V197 WeakPolarHBondContact O-CA 3.4Å; L167-H198 PolarHBondContact O-N 3.34Å
168L97.6Very high92Very high0 Ų058 Ų580%031%0.308CS..EExtended strand (participates in β ladder)trans-110.4126.9-177.3174.662.3000111I136 T137 G138 A139 L170 H198 D200 L201 A204 F205 Y243I136-L168 PolarHBondContact O-N 3.12Å; T137-L168 CarbonylContact C-O 3.6Å; T137-L168 WeakPolarHBondContact CA-O 3.42Å; T137-L168 HydrophobicContact CG2-CD2 4.13Å; G138-L168 PolarHBondContact N-O 2.95Å; A139-L168 PolarHBondContact N-O 3.28Å; A139-L168 VanDerWaalsContact N-O 3.11Å; L168-L170 HydrophobicContact CD1-CD2 4.06Å; L168-L170 HydrophobicContact CD1-CG 4.48Å; L168-H198 WeakPolarHBondContact CA-O 3.3Å; L168-H198 HydrophobicContact CB-CB 4.41Å; L168-H198 HydrophobicContact CD1-CB 3.7Å; L168-D200 WeakPolarHBondContact CD1-O 3.35Å; L168-L201 HydrophobicContact CD1-CD2 4.49Å; L168-L201 HydrophobicContact CD2-CD2 3.95Å; L168-A204 HydrophobicContact CD2-CB 4.18Å; L168-F205 HydrophobicContact CD2-CZ 4.2Å; L168-Y243 HydrophobicContact CD2-CE1 4.38Å
169H95.1Very high92.6Very high34 Ų3457.6 Ų57.616%0.15731%0.305CS..  trans-145.5102.6170.8-154.489.8000110.9G138 A139 L140 S171 G172 M177 H198G138-H169 WeakPolarHBondContact CA-ND1 3.21Å; A139-H169 HydrophobicContact CB-CB 4.41Å; A139-H169 PolarHBondContact N-ND1 3.38Å; L140-H169 HydrophobicContact CD1-CB 4.46Å; L140-H169 HydrophobicContact CG-CB 4.28Å; L140-H169 PolarHBondContact N-ND1 3.11Å; H169-S171 VanDerWaalsContact C-N 3.31Å; H169-S171 PolarHBondContact O-N 3.14Å; H169-G172 PolarHBondContact CD2-N 2.87Å; H169-G172 PolarHBondContact O-N 2.95Å; H169-M177 HydrophobicContact CB-CE 4.07Å; H169-M177 HydrophobicContact CB-SD 3.54Å; H169-M177 VanDerWaalsContact CB-SD 3.54Å; H169-H198 PolarHBondContact N-O 3.35Å
170L90.4Very high93.1Very high51 Ų5151.4 Ų51.427%0.26727%0.272SS..THydrogen-bonded Turntrans-66-27.2-171.3-68.7175.9000115.4L168 T199 L201 R239 Y243L168-L170 HydrophobicContact CD1-CD2 4.06Å; L168-L170 HydrophobicContact CD1-CG 4.48Å; L170-T199 WeakPolarHBondContact CA-O 3.43Å; L170-L201 HydrophobicContact CD1-CD2 4.16Å; L170-L201 HydrophobicContact CD1-CG 4.44Å; L170-L201 HydrophobicContact CD2-CD2 3.66Å; L170-L201 HydrophobicContact CD2-CG 3.82Å; L170-L201 HydrophobicContact CG-CD2 4.3Å; L170-R239 HydrophobicContact CD1-CG 4.28Å; L170-Y243 HydrophobicContact CD1-CE1 4.4Å
171S84.8Confident93.6Very high99 Ų9952.5 Ų52.569%0.69227%0.274SS*.THydrogen-bonded Turntrans-102.316.5175.951.50000112.1H169H169-S171 VanDerWaalsContact C-N 3.31Å; H169-S171 PolarHBondContact O-N 3.14Å
172G80.3Confident94Very high15 Ų1548.6 Ų48.616%0.15526%0.258CS..  trans-80.9134.4-170.900000109.9H169H169-G172 PolarHBondContact CD2-N 2.87Å; H169-G172 PolarHBondContact O-N 2.95Å
173D88.3Confident94.2Very high91 Ų9151.6 Ų51.649%0.48727%0.273SS..  trans-66141.5166.6-17273.6000109.6E175 D176 M177D173-E175 VanDerWaalsContact C-N 3.26Å; D173-E175 PolarHBondContact O-N 2.88Å; D173-E175 WeakPolarHBondContact OD2-CB 3.48Å; D173-E175 PolarHBondContact OD2-N 3.26Å; D173-D176 HydrophobicContact CB-CB 4.32Å; D173-D176 PolarHBondContact O-N 2.94Å; D173-M177 WeakPolarHBondContact O-CG 3.28Å; D173-M177 PolarHBondContact O-N 2.84Å
174E91Very high94.2Very high139 Ų13951.8 Ų51.865%0.6527%0.274SS*.Hα-helixtrans-63.7-35.8-177.4-171172.4-176.300111M177 Q178E174-M177 PolarHBondContact O-N 3.16Å; E174-Q178 HydrophobicContact CG-CG 4.49Å; E174-Q178 VanDerWaalsContact O-CG 3.28Å; E174-Q178 WeakPolarHBondContact O-CG 3.23Å; E174-Q178 PolarHBondContact O-N 3.41Å
175E94.2Very high94.2Very high144 Ų14455.4 Ų55.467%0.67329%0.291SS*.Hα-helixtrans-65.4-45.5178.1-167.2177.4175.100111.4D173 M177 Q178 T179D173-E175 VanDerWaalsContact C-N 3.26Å; D173-E175 PolarHBondContact O-N 2.88Å; D173-E175 WeakPolarHBondContact OD2-CB 3.48Å; D173-E175 PolarHBondContact OD2-N 3.26Å; E175-M177 PolarHBondContact O-N 3.08Å; E175-Q178 PolarHBondContact O-N 3.47Å; E175-T179 WeakPolarHBondContact O-CB 3.19Å; E175-T179 PolarHBondContact O-N 2.98Å; E175-T179 PolarHBondContact O-OG1 3.49Å
176D94.6Very high94.1Very high91 Ų9161.6 Ų61.649%0.48732%0.324SS..Hα-helixtrans-62.6-42.5177.4-76.3-21.5000111.6L140 D173 T179 L180L140-D176 HydrophobicContact CD1-CB 4.03Å; L140-D176 HydrophobicContact CD2-CB 4.09Å; D173-D176 HydrophobicContact CB-CB 4.32Å; D173-D176 PolarHBondContact O-N 2.94Å; D176-T179 PolarHBondContact O-N 2.86Å; D176-L180 PolarHBondContact O-N 2.69Å
177M96.3Very high93.9Very high1 Ų164.1 Ų64.11%0.00534%0.338CS..Hα-helixtrans-65.4-44.5177.5-70.4-62.4-66.500111.6A139 L140 L167 H169 D173 E174 E175 T179 L180 K181 V197 T199A139-M177 HydrophobicContact CB-CE 4.16Å; L140-M177 HydrophobicContact CD1-CG 4.47Å; L140-M177 HydrophobicContact CD1-SD 4Å; L140-M177 HydrophobicContact CD2-SD 3.74Å; L140-M177 HydrophobicContact CG-SD 3.64Å; L167-M177 HydrophobicContact CB-CE 4.21Å; L167-M177 VanDerWaalsContact O-CE 3.26Å; L167-M177 WeakPolarHBondContact O-CE 3.3Å; H169-M177 HydrophobicContact CB-CE 4.07Å; H169-M177 HydrophobicContact CB-SD 3.54Å; H169-M177 VanDerWaalsContact CB-SD 3.54Å; D173-M177 WeakPolarHBondContact O-CG 3.28Å; D173-M177 PolarHBondContact O-N 2.84Å; E174-M177 PolarHBondContact O-N 3.16Å; E175-M177 PolarHBondContact O-N 3.08Å; M177-T179 VanDerWaalsContact C-N 3.3Å; M177-T179 PolarHBondContact O-N 3.23Å; M177-L180 PolarHBondContact O-N 3.27Å; M177-K181 PolarHBondContact O-N 3.21Å; M177-V197 HydrophobicContact CB-CB 4.18Å; M177-V197 HydrophobicContact CB-CG1 4.41Å; M177-V197 HydrophobicContact CB-CG2 4.38Å; M177-V197 HydrophobicContact CE-CB 3.79Å; M177-V197 HydrophobicContact CE-CG1 3.96Å; M177-V197 WeakPolarHBondContact O-CG1 3.47Å; M177-T199 HydrophobicContact CG-CG2 4.09Å
178Q96.7Very high93.6Very high74 Ų7468.4 Ų68.435%0.34637%0.373SS..Hα-helixtrans-64.7-35.8175.6-66.9-56.4-26.800111.9E174 E175 K181 L182E174-Q178 HydrophobicContact CG-CG 4.49Å; E174-Q178 VanDerWaalsContact O-CG 3.28Å; E174-Q178 WeakPolarHBondContact O-CG 3.23Å; E174-Q178 PolarHBondContact O-N 3.41Å; E175-Q178 PolarHBondContact O-N 3.47Å; Q178-K181 WeakPolarHBondContact O-CB 3.26Å; Q178-K181 PolarHBondContact O-N 3Å; Q178-L182 WeakPolarHBondContact O-CG 3.33Å; Q178-L182 PolarHBondContact O-N 2.99Å
179T96.5Very high93.3Very high64 Ų6471 Ų7139%0.39339%0.386SS..Hα-helixtrans-62.1-48.8174-58.90000110.8E175 D176 M177 K181 L182 D183E175-T179 WeakPolarHBondContact O-CB 3.19Å; E175-T179 PolarHBondContact O-N 2.98Å; E175-T179 PolarHBondContact O-OG1 3.49Å; D176-T179 PolarHBondContact O-N 2.86Å; M177-T179 VanDerWaalsContact C-N 3.3Å; M177-T179 PolarHBondContact O-N 3.23Å; T179-K181 PolarHBondContact O-N 3.41Å; T179-L182 PolarHBondContact O-N 3.32Å; T179-D183 WeakPolarHBondContact O-CB 3.16Å; T179-D183 PolarHBondContact O-N 3.43Å
180L95.9Very high93Very high13 Ų1373.2 Ų73.27%0.06842%0.419CS..Hα-helixtrans-59.1-36.9176178.561.7000112.3A139 L140 Q145 I148 L167 D176 M177 T184A139-L180 HydrophobicContact CB-CD2 4.06Å; A139-L180 WeakPolarHBondContact O-CD2 3.29Å; L140-L180 HydrophobicContact CD2-CB 4.38Å; L140-L180 HydrophobicContact CD2-CD2 4.08Å; Q145-L180 HydrophobicContact CG-CD1 4.15Å; I148-L180 HydrophobicContact CD1-CD1 4.26Å; L167-L180 HydrophobicContact CD1-CD2 3.84Å; L167-L180 HydrophobicContact CD1-CG 3.91Å; D176-L180 PolarHBondContact O-N 2.69Å; M177-L180 PolarHBondContact O-N 3.27Å; L180-T184 WeakPolarHBondContact O-CB 3.37Å; L180-T184 PolarHBondContact O-N 2.98Å; L180-T184 PolarHBondContact O-OG1 3.49Å
181K97.6Very high93.1Very high56 Ų5671.4 Ų71.424%0.24341%0.409CS..Hα-helixtrans-60.9-53.5174.8-176.9-173.9169.8-174.10111.2M177 Q178 T179 T184 E185 V195 V197M177-K181 PolarHBondContact O-N 3.21Å; Q178-K181 WeakPolarHBondContact O-CB 3.26Å; Q178-K181 PolarHBondContact O-N 3Å; T179-K181 PolarHBondContact O-N 3.41Å; K181-T184 PolarHBondContact O-N 3Å; K181-E185 WeakPolarHBondContact CE-OE1 3.3Å; K181-E185 IonicContact NZ-OE1 2.77Å; K181-E185 WeakPolarHBondContact O-CG 3.45Å; K181-E185 PolarHBondContact O-N 3.06Å; K181-V195 HydrophobicContact CB-CG1 4.37Å; K181-V195 WeakPolarHBondContact CE-O 3.17Å; K181-V195 HydrophobicContact CG-CB 3.99Å; K181-V195 HydrophobicContact CG-CG1 3.9Å; K181-V197 HydrophobicContact CB-CG1 3.8Å; K181-V197 HydrophobicContact CG-CG1 4.42Å
182L97Very high93.6Very high96 Ų9668 Ų6850%0.50338%0.384SS..Hα-helixtrans-59.9-47.5-180-69.1173.3000110.9Q178 T179 T184 E185 D186Q178-L182 WeakPolarHBondContact O-CG 3.33Å; Q178-L182 PolarHBondContact O-N 2.99Å; T179-L182 PolarHBondContact O-N 3.32Å; L182-T184 PolarHBondContact O-N 2.92Å; L182-E185 PolarHBondContact O-N 2.95Å; L182-E185 VanDerWaalsContact O-N 3.15Å; L182-D186 WeakPolarHBondContact O-CB 3.47Å; L182-D186 PolarHBondContact O-N 2.87Å
183D95.8Very high94.2Very high96 Ų9671.2 Ų71.251%0.51339%0.391SS..Hα-helixtrans-58.3-37.1177.4-78.4-3.4000112T179T179-D183 WeakPolarHBondContact O-CB 3.16Å; T179-D183 PolarHBondContact O-N 3.43Å
184T96.6Very high94.5Very high4 Ų472.7 Ų72.73%0.02539%0.39CS..Hα-helixtrans-72.9-40.3177.8-57.40000112.1I148 L165 L180 K181 L182 D186 L187 L192 V195I148-T184 HydrophobicContact CG2-CG2 3.59Å; L165-T184 HydrophobicContact CD2-CG2 3.94Å; L180-T184 WeakPolarHBondContact O-CB 3.37Å; L180-T184 PolarHBondContact O-N 2.98Å; L180-T184 PolarHBondContact O-OG1 3.49Å; K181-T184 PolarHBondContact O-N 3Å; L182-T184 PolarHBondContact O-N 2.92Å; T184-D186 VanDerWaalsContact C-N 3.32Å; T184-L187 WeakPolarHBondContact O-CB 3.31Å; T184-L187 PolarHBondContact O-N 2.91Å; T184-L192 HydrophobicContact CG2-CD2 4.01Å; T184-L192 WeakPolarHBondContact O-CD2 3.09Å; T184-V195 HydrophobicContact CG2-CG2 3.64Å
185E96Very high94.8Very high76 Ų7666.2 Ų66.236%0.35536%0.36SS..Hα-helixtrans-65.1-37.3175.9-71.7174.7165.300111.3K181 L182 L187 A188 V195K181-E185 WeakPolarHBondContact CE-OE1 3.3Å; K181-E185 IonicContact NZ-OE1 2.77Å; K181-E185 WeakPolarHBondContact O-CG 3.45Å; K181-E185 PolarHBondContact O-N 3.06Å; L182-E185 PolarHBondContact O-N 2.95Å; L182-E185 VanDerWaalsContact O-N 3.15Å; E185-L187 PolarHBondContact O-N 3.39Å; E185-A188 PolarHBondContact O-N 3.29Å; E185-V195 HydrophobicContact CG-CB 4.17Å; E185-V195 HydrophobicContact CG-CG2 3.84Å
186D96Very high95Very high130 Ų13061.2 Ų61.270%0.69534%0.34SS*.THydrogen-bonded Turntrans-66.9-14.7177.7-79.8-8.8000113.7L182 T184 A188L182-D186 WeakPolarHBondContact O-CB 3.47Å; L182-D186 PolarHBondContact O-N 2.87Å; T184-D186 VanDerWaalsContact C-N 3.32Å; D186-A188 PolarHBondContact O-N 3.38Å
187L93.3Very high95.1Very high73 Ų7358.2 Ų58.238%0.38232%0.324SS..THydrogen-bonded Turntrans-63.6-19.7170.2-62.6175.4000112.4I148 P149 T184 E185 L189I148-L187 HydrophobicContact CG2-CD1 4.02Å; P149-L187 HydrophobicContact CB-CD1 4.28Å; T184-L187 WeakPolarHBondContact O-CB 3.31Å; T184-L187 PolarHBondContact O-N 2.91Å; E185-L187 PolarHBondContact O-N 3.39Å; L187-L189 HydrophobicContact CB-CD1 4.06Å; L187-L189 HydrophobicContact CB-CG 3.83Å; L187-L189 HydrophobicContact CD1-CD1 4.15Å; L187-L189 PolarHBondContact O-N 3.31Å; L187-L189 VanDerWaalsContact O-N 3.11Å
188A92.8Very high95.1Very high89 Ų8959.1 Ų59.174%0.73633%0.329SS*.  trans49.838.917600000113.7E185 D186E185-A188 PolarHBondContact O-N 3.29Å; D186-A188 PolarHBondContact O-N 3.38Å
189L90.7Very high95.1Very high54 Ų5458.4 Ų58.428%0.28333%0.329SS..  trans-78.6131.4-177.7-61.8176000110.7L152 L187 L191 L192L152-L189 HydrophobicContact CB-CD1 3.49Å; L152-L189 VanDerWaalsContact CB-CD1 3.49Å; L152-L189 HydrophobicContact CD1-CD1 3.89Å; L152-L189 HydrophobicContact CG-CD1 4.36Å; L187-L189 HydrophobicContact CB-CD1 4.06Å; L187-L189 HydrophobicContact CB-CG 3.83Å; L187-L189 HydrophobicContact CD1-CD1 4.15Å; L187-L189 PolarHBondContact O-N 3.31Å; L187-L189 VanDerWaalsContact O-N 3.11Å; L189-L191 PolarHBondContact O-N 2.92Å; L189-L192 HydrophobicContact CB-CB 4.28Å; L189-L192 WeakPolarHBondContact O-CB 3.45Å; L189-L192 PolarHBondContact O-N 2.79Å
190G89.4Confident95Very high82 Ų8258.7 Ų58.785%0.84533%0.328SS*.THydrogen-bonded Turntrans-61.7-27.2-17600000114.6L192G190-L192 VanDerWaalsContact C-N 3.34Å
191L92.3Very high95Very high12 Ų1260.1 Ų60.16%0.06334%0.336CS..THydrogen-bonded Turntrans-75.9-22.5176.3-165.169.7000112.3F157 V160 T162 V163 L189 Y193F157-L191 HydrophobicContact CB-CD2 4.32Å; F157-L191 HydrophobicContact CD2-CD2 4.36Å; V160-L191 HydrophobicContact CG1-CD1 4.34Å; V160-L191 WeakPolarHBondContact O-CD1 3.35Å; T162-L191 CarbonylContact C-O 3.58Å; T162-L191 WeakPolarHBondContact CA-O 3.29Å; V163-L191 HydrophobicContact CB-CG 4.34Å; V163-L191 HydrophobicContact CG2-CD1 4.48Å; V163-L191 HydrophobicContact CG2-CD2 3.75Å; V163-L191 HydrophobicContact CG2-CG 3.81Å; V163-L191 PolarHBondContact N-O 3.37Å; L189-L191 PolarHBondContact O-N 2.92Å; L191-Y193 PolarHBondContact O-N 3.04Å
192L94.4Very high94.9Very high29 Ų2964.3 Ų64.315%0.15236%0.356CS..EExtended strand (participates in β ladder)trans-81.2112.5-174.8-177.861.8000110.8L152 L165 T184 L189 G190 V195L152-L192 HydrophobicContact CD1-CB 4.2Å; L152-L192 HydrophobicContact CD1-CD1 3.95Å; L152-L192 HydrophobicContact CD1-CD2 4.16Å; L152-L192 HydrophobicContact CD1-CG 4.33Å; L152-L192 HydrophobicContact CD2-CB 4.43Å; L152-L192 HydrophobicContact CD2-CD1 4.07Å; L165-L192 HydrophobicContact CB-CD1 4.05Å; T184-L192 HydrophobicContact CG2-CD2 4.01Å; T184-L192 WeakPolarHBondContact O-CD2 3.09Å; L189-L192 HydrophobicContact CB-CB 4.28Å; L189-L192 WeakPolarHBondContact O-CB 3.45Å; L189-L192 PolarHBondContact O-N 2.79Å; G190-L192 VanDerWaalsContact C-N 3.34Å; L192-V195 HydrophobicContact CD1-CG2 3.83Å; L192-V195 HydrophobicContact CD2-CG2 3.79Å; L192-V195 HydrophobicContact CG-CG2 4.22Å
193Y93Very high94.8Very high81 Ų8165 Ų6532%0.31836%0.357SS..EExtended strand (participates in β ladder)trans-87.8-45.2176.9171.2-116.1000112.7L126 I129 P131 V163 L191L126-Y193 WeakPolarHBondContact CD2-OH 3.13Å; I129-Y193 HydrophobicContact CD1-CE2 3.66Å; I129-Y193 HydrophobicContact CG2-CD2 4.25Å; I129-Y193 HydrophobicContact CG2-CE1 4.39Å; I129-Y193 HydrophobicContact CG2-CE2 4.07Å; I129-Y193 HydrophobicContact CG2-CG 4.5Å; P131-Y193 HydrophobicContact CB-CD1 4.1Å; P131-Y193 HydrophobicContact CG-CD1 4.07Å; P131-Y193 HydrophobicContact CG-CE1 4.34Å; V163-Y193 PolarHBondContact O-N 2.86Å; L191-Y193 PolarHBondContact O-N 3.04Å
194R94.2Very high94.8Very high123 Ų12360.4 Ų60.446%0.46433%0.332SS..EExtended strand (participates in β ladder)trans-158.1146-177.6-176.7173.465.8-165.1-2.3110.7L165L165-R194 PolarHBondContact N-O 3.13Å
195V97.6Very high94.9Very high2 Ų260.2 Ų60.21%0.01233%0.331CS..EExtended strand (participates in β ladder)trans-110133.4167.5-172.10000109.3L165 L167 K181 T184 E185 L192L165-V195 CarbonylContact O-C 3.6Å; L165-V195 WeakPolarHBondContact O-CA 3.38Å; L167-V195 HydrophobicContact CD1-CG1 3.74Å; L167-V195 HydrophobicContact CG-CG1 4.25Å; K181-V195 HydrophobicContact CB-CG1 4.37Å; K181-V195 WeakPolarHBondContact CE-O 3.17Å; K181-V195 HydrophobicContact CG-CB 3.99Å; K181-V195 HydrophobicContact CG-CG1 3.9Å; T184-V195 HydrophobicContact CG2-CG2 3.64Å; E185-V195 HydrophobicContact CG-CB 4.17Å; E185-V195 HydrophobicContact CG-CG2 3.84Å; L192-V195 HydrophobicContact CD1-CG2 3.83Å; L192-V195 HydrophobicContact CD2-CG2 3.79Å; L192-V195 HydrophobicContact CG-CG2 4.22Å
196T97.6Very high95Very high40 Ų4061 Ų6125%0.24534%0.335CS..EExtended strand (participates in β ladder)trans-130.2130.9173.7-52.90000109.3L165 H166 L167 H198L165-T196 PolarHBondContact O-N 2.89Å; H166-T196 CarbonylContact C-O 3.56Å; H166-T196 WeakPolarHBondContact CA-O 3.32Å; L167-T196 PolarHBondContact N-O 2.92Å; T196-H198 WeakPolarHBondContact CG2-NE2 3.25Å
197V97.8Very high95Very high27 Ų2760.3 Ų60.316%0.16433%0.327CS..EExtended strand (participates in β ladder)trans-104.8144.2-180-66.60000110.6L167 M177 K181L167-V197 HydrophobicContact CB-CG1 4.15Å; L167-V197 HydrophobicContact CD1-CG1 4.4Å; L167-V197 CarbonylContact O-C 3.44Å; L167-V197 WeakPolarHBondContact O-CA 3.4Å; M177-V197 HydrophobicContact CB-CB 4.18Å; M177-V197 HydrophobicContact CB-CG1 4.41Å; M177-V197 HydrophobicContact CB-CG2 4.38Å; M177-V197 HydrophobicContact CE-CB 3.79Å; M177-V197 HydrophobicContact CE-CG1 3.96Å; M177-V197 WeakPolarHBondContact O-CG1 3.47Å; K181-V197 HydrophobicContact CB-CG1 3.8Å; K181-V197 HydrophobicContact CG-CG1 4.42Å
198H97Very high95.2Very high21 Ų2156.8 Ų56.810%0.09731%0.309CS..EExtended strand (participates in β ladder)trans-136.5134.2-175.8-54.3-93.6000109.6W135 H166 L167 L168 H169 T196W135-H198 AromaticContact CH2-CD2 3.92Å; W135-H198 AromaticContact CH2-CE1 3.7Å; W135-H198 AromaticContact CH2-NE2 3.56Å; W135-H198 AromaticContact CZ3-CD2 3.65Å; W135-H198 AromaticContact CZ3-CG 3.99Å; W135-H198 AromaticContact CZ3-NE2 3.8Å; H166-H198 AromaticContact ND1-NE2 3.31Å; H166-H198 PolarHBondContact ND1-NE2 3.28Å; L167-H198 PolarHBondContact O-N 3.34Å; L168-H198 WeakPolarHBondContact CA-O 3.3Å; L168-H198 HydrophobicContact CB-CB 4.41Å; L168-H198 HydrophobicContact CD1-CB 3.7Å; H169-H198 PolarHBondContact N-O 3.35Å; T196-H198 WeakPolarHBondContact CG2-NE2 3.25Å
199T95.5Very high95.4Very high59 Ų5955.9 Ų55.936%0.36229%0.289SS..SBendtrans-114.90.1175.151.90000112.4L170 M177L170-T199 WeakPolarHBondContact CA-O 3.43Å; M177-T199 HydrophobicContact CG-CG2 4.09Å
200D95Very high95.8Very high69 Ų6953.6 Ų53.637%0.36928%0.277SS..SBendtrans-135.5-178.1177.866.269.3000111.6L168 E202L168-D200 WeakPolarHBondContact CD1-O 3.35Å; D200-E202 WeakPolarHBondContact OD1-CB 3.47Å; D200-E202 WeakPolarHBondContact OD1-CG 3.37Å; D200-E202 PolarHBondContact OD1-N 2.95Å
201L96.5Very high96.2Very high43 Ų4349.7 Ų49.723%0.22524%0.237CC..SBendtrans-102.72.8-177.2-59.5-178.1000114.6L168 L170 Q203 A204 E242 Y243 L246 R250L168-L201 HydrophobicContact CD1-CD2 4.49Å; L168-L201 HydrophobicContact CD2-CD2 3.95Å; L170-L201 HydrophobicContact CD1-CD2 4.16Å; L170-L201 HydrophobicContact CD1-CG 4.44Å; L170-L201 HydrophobicContact CD2-CD2 3.66Å; L170-L201 HydrophobicContact CD2-CG 3.82Å; L170-L201 HydrophobicContact CG-CD2 4.3Å; L201-Q203 VanDerWaalsContact C-N 3.31Å; L201-Q203 PolarHBondContact O-N 3.43Å; L201-A204 HydrophobicContact CB-CB 4.34Å; L201-A204 HydrophobicContact CD2-CB 3.97Å; L201-A204 PolarHBondContact O-N 2.96Å; L201-E242 HydrophobicContact CD1-CG 3.94Å; L201-Y243 HydrophobicContact CD1-CE1 4.43Å; L201-Y243 HydrophobicContact CD2-CD1 4.24Å; L201-Y243 HydrophobicContact CD2-CE1 3.64Å; L201-L246 HydrophobicContact CB-CD1 4Å; L201-L246 HydrophobicContact CD1-CD1 4.18Å; L201-L246 HydrophobicContact CD2-CD1 4.39Å; L201-L246 HydrophobicContact CG-CD1 4.42Å; L201-R250 PolarHBondContact O-NH1 3.15Å
202E94.8Very high96.5Very high145 Ų14549.1 Ų49.168%0.67823%0.234SC*.SBendtrans-59-44.9-173.7-66.6-16917400111.4D200 R250D200-E202 WeakPolarHBondContact OD1-CB 3.47Å; D200-E202 WeakPolarHBondContact OD1-CG 3.37Å; D200-E202 PolarHBondContact OD1-N 2.95Å; E202-R250 PolarHBondContact O-NH1 2.56Å; E202-R250 PolarHBondContact O-NH2 2.94Å
203Q94.8Very high96.7Very high109 Ų10947.7 Ų47.751%0.50923%0.227SC..SBendtrans-101.41.1179.7-61.3-58-4500113.9W135 L201 F205 H206W135-Q203 WeakPolarHBondContact CH2-O 3.48Å; W135-Q203 WeakPolarHBondContact CZ2-O 3.23Å; L201-Q203 VanDerWaalsContact C-N 3.31Å; L201-Q203 PolarHBondContact O-N 3.43Å; Q203-F205 PolarHBondContact O-N 3.34Å; Q203-H206 PolarHBondContact O-N 3.03Å
204A96.6Very high96.7Very high0 Ų044 Ų440%021%0.213CC..THydrogen-bonded Turntrans-56.3132-17200000112.6W135 L168 L201 H206 L246 R250W135-A204 HydrophobicContact CZ3-CB 4.44Å; L168-A204 HydrophobicContact CD2-CB 4.18Å; L201-A204 HydrophobicContact CB-CB 4.34Å; L201-A204 HydrophobicContact CD2-CB 3.97Å; L201-A204 PolarHBondContact O-N 2.96Å; A204-H206 PolarHBondContact O-N 3.49Å; A204-L246 HydrophobicContact CB-CD1 4.23Å; A204-R250 VanDerWaalsContact O-CD 3.3Å; A204-R250 WeakPolarHBondContact O-CD 3.27Å; A204-R250 PolarHBondContact O-NH1 3.34Å; A204-R250 VanDerWaalsContact O-NH1 3.15Å
205F98.3Very high96.4Very high0 Ų038.5 Ų38.50%019%0.192CC..THydrogen-bonded Turntrans62.318.4174.8-42.6-61.4000116.3W135 T137 L168 Q203 E207 A208 V211 Y243 L246 I247 R250 A251W135-F205 HydrophobicContact CB-CD1 3.94Å; W135-F205 HydrophobicContact CB-CE1 4.25Å; W135-F205 HydrophobicContact CD2-CD1 4.06Å; W135-F205 HydrophobicContact CE3-CD1 4.17Å; W135-F205 HydrophobicContact CE3-CE1 4.49Å; W135-F205 AromaticContact CG-CD1 3.97Å; W135-F205 HydrophobicContact CG-CD1 3.97Å; T137-F205 HydrophobicContact CG2-CE1 3.8Å; T137-F205 HydrophobicContact CG2-CZ 3.76Å; L168-F205 HydrophobicContact CD2-CZ 4.2Å; Q203-F205 PolarHBondContact O-N 3.34Å; F205-E207 PolarHBondContact O-N 3.29Å; F205-A208 HydrophobicContact CB-CB 4.27Å; F205-A208 WeakPolarHBondContact O-CB 3.4Å; F205-A208 PolarHBondContact O-N 2.92Å; F205-V211 HydrophobicContact CD1-CB 4.47Å; F205-V211 HydrophobicContact CD1-CG1 3.68Å; F205-V211 HydrophobicContact CD1-CG2 3.87Å; F205-V211 HydrophobicContact CE1-CG1 3.42Å; F205-V211 VanDerWaalsContact CE1-CG1 3.42Å; F205-V211 HydrophobicContact CE1-CG2 4.48Å; F205-V211 HydrophobicContact CZ-CG1 4.32Å; F205-Y243 AromaticContact CE2-CD1 3.69Å; F205-Y243 HydrophobicContact CE2-CD1 3.69Å; F205-Y243 HydrophobicContact CE2-CE1 4.34Å; F205-Y243 AromaticContact CE2-CG 3.98Å; F205-Y243 HydrophobicContact CE2-CG 3.98Å; F205-Y243 AromaticContact CZ-CD1 3.97Å; F205-Y243 HydrophobicContact CZ-CD1 3.97Å; F205-Y243 HydrophobicContact CZ-CE1 4.32Å; F205-Y243 HydrophobicContact CZ-CG 4.1Å; F205-L246 HydrophobicContact CD2-CB 3.76Å; F205-L246 HydrophobicContact CE2-CB 4.36Å; F205-I247 HydrophobicContact CB-CG1 4.07Å; F205-I247 HydrophobicContact CD1-CG1 4.21Å; F205-I247 HydrophobicContact CD2-CG1 3.69Å; F205-I247 HydrophobicContact CE2-CG1 4.16Å; F205-I247 HydrophobicContact CG-CG1 3.71Å; F205-R250 CarbonylContact O-C 3.56Å; F205-A251 PolarHBondContact O-N 3.21Å
206H97Very high95.1Very high92 Ų9240 Ų4043%0.42620%0.201SC..THydrogen-bonded Turntrans-60.4125.4173.7-162.971.8000111.1W135 Q203 A204 A208W135-H206 PolarHBondContact NE1-O 3.1Å; Q203-H206 PolarHBondContact O-N 3.03Å; A204-H206 PolarHBondContact O-N 3.49Å; H206-A208 PolarHBondContact O-N 3.09Å
207E95.9Very high93.6Very high116 Ų11640 Ų4054%0.54220%0.197SC..THydrogen-bonded Turntrans52.129.7179.8-61.4179.116400113.4N133 F205 H209 R250N133-E207 VanDerWaalsContact CB-O 3.3Å; N133-E207 WeakPolarHBondContact CB-O 3.46Å; N133-E207 WeakPolarHBondContact ND2-CB 3.17Å; N133-E207 PolarHBondContact ND2-O 3.15Å; F205-E207 PolarHBondContact O-N 3.29Å; E207-H209 PolarHBondContact O-CE1 3.26Å; E207-H209 PolarHBondContact O-N 3.47Å; E207-H209 PolarHBondContact O-ND1 3.12Å; E207-H209 VanDerWaalsContact O-ND1 3.16Å; E207-R250 PolarHBondContact N-O 3Å
208A98.3Very high91.7Very high0 Ų045 Ų450%022%0.223CC..  trans-65.8129.8-177.600000111.2W135 F205 H206 V211 A251 D252 V255W135-A208 HydrophobicContact CG-CB 4.22Å; F205-A208 HydrophobicContact CB-CB 4.27Å; F205-A208 WeakPolarHBondContact O-CB 3.4Å; F205-A208 PolarHBondContact O-N 2.92Å; H206-A208 PolarHBondContact O-N 3.09Å; A208-V211 HydrophobicContact CB-CG2 3.69Å; A208-A251 HydrophobicContact CB-CB 3.88Å; A208-D252 WeakPolarHBondContact O-CB 3.37Å; A208-D252 PolarHBondContact O-N 2.98Å; A208-V255 HydrophobicContact CB-CG2 4.3Å; A208-V255 WeakPolarHBondContact O-CG2 3.31Å
209H97.6Very high89.6Confident69 Ų6946.6 Ų46.632%0.31924%0.24SC..SBendtrans-99.1-30.5171.6-59.185000111.1N133 E207 V255 K256N133-H209 PolarHBondContact N-ND1 2.94Å; N133-H209 PolarHBondContact O-N 3.39Å; E207-H209 PolarHBondContact O-CE1 3.26Å; E207-H209 PolarHBondContact O-N 3.47Å; E207-H209 PolarHBondContact O-ND1 3.12Å; E207-H209 VanDerWaalsContact O-ND1 3.16Å; H209-V255 CarbonylContact O-C 3.43Å; H209-V255 WeakPolarHBondContact O-CA 3.39Å; H209-K256 PolarHBondContact O-N 3.3Å
210V98.2Very high87.4Confident6 Ų648.1 Ų48.14%0.03625%0.246CC..EExtended strand (participates in β ladder)trans-136.1135.7172.8-178.10000109.3N133 V134 W135 F157 I212 K256 L394N133-V210 PolarHBondContact O-N 3.03Å; V134-V210 WeakPolarHBondContact CA-O 3.41Å; V134-V210 HydrophobicContact CG1-CB 4.08Å; V134-V210 HydrophobicContact CG1-CG1 4.24Å; V134-V210 HydrophobicContact CG2-CB 4.21Å; W135-V210 PolarHBondContact N-O 3.49Å; F157-V210 HydrophobicContact CE1-CG2 3.91Å; F157-V210 HydrophobicContact CZ-CG2 4.16Å; V210-I212 HydrophobicContact CG1-CD1 4.32Å; V210-I212 HydrophobicContact CG1-CG1 3.92Å; V210-K256 CarbonylContact C-O 3.56Å; V210-K256 VanDerWaalsContact CA-O 3.31Å; V210-K256 WeakPolarHBondContact CA-O 3.44Å; V210-K256 HydrophobicContact CG2-CB 4.32Å; V210-L394 HydrophobicContact CG1-CD2 3.95Å
211V98.7Very high85.3Confident0 Ų048.2 Ų48.20%025%0.252CS..EExtended strand (participates in β ladder)trans-125.7121.6173.6-174.60000109.2W135 F205 A208 L213 I247 V255 K256 V257 I258W135-V211 HydrophobicContact CB-CG1 4.38Å; W135-V211 HydrophobicContact CB-CG2 4.3Å; W135-V211 CarbonylContact O-C 3.51Å; W135-V211 WeakPolarHBondContact O-CA 3.33Å; F205-V211 HydrophobicContact CD1-CB 4.47Å; F205-V211 HydrophobicContact CD1-CG1 3.68Å; F205-V211 HydrophobicContact CD1-CG2 3.87Å; F205-V211 HydrophobicContact CE1-CG1 3.42Å; F205-V211 VanDerWaalsContact CE1-CG1 3.42Å; F205-V211 HydrophobicContact CE1-CG2 4.48Å; F205-V211 HydrophobicContact CZ-CG1 4.32Å; A208-V211 HydrophobicContact CB-CG2 3.69Å; V211-L213 HydrophobicContact CB-CD1 4.48Å; V211-L213 HydrophobicContact CG1-CD1 3.72Å; V211-L213 HydrophobicContact CG1-CG 4.1Å; V211-I247 HydrophobicContact CG1-CD1 4.13Å; V211-I247 HydrophobicContact CG2-CD1 4.47Å; V211-I247 HydrophobicContact CG2-CG1 4.41Å; V211-V255 HydrophobicContact CG2-CG2 3.87Å; V211-K256 PolarHBondContact N-O 3.19Å; V211-V257 HydrophobicContact CB-CG1 4.47Å; V211-V257 HydrophobicContact CB-CG2 4.41Å; V211-V257 CarbonylContact O-C 3.6Å; V211-V257 WeakPolarHBondContact O-CA 3.5Å; V211-I258 PolarHBondContact O-N 2.87Å
212I98.4Very high83.2Confident0 Ų055.7 Ų55.70%029%0.286CS..EExtended strand (participates in β ladder)trans-114.6109.7-179.9-50.6179.8000107.8V134 W135 I136 T137 L147 L151 V210 L214 I390 L394V134-I212 HydrophobicContact CG1-CD1 4.41Å; W135-I212 PolarHBondContact O-N 3.1Å; I136-I212 WeakPolarHBondContact CA-O 3.47Å; I136-I212 HydrophobicContact CG1-CB 4.4Å; T137-I212 PolarHBondContact N-O 3.12Å; L147-I212 HydrophobicContact CD2-CD1 3.89Å; L147-I212 HydrophobicContact CD2-CG2 4.17Å; L151-I212 HydrophobicContact CD1-CD1 4.08Å; L151-I212 HydrophobicContact CD2-CD1 4.18Å; V210-I212 HydrophobicContact CG1-CD1 4.32Å; V210-I212 HydrophobicContact CG1-CG1 3.92Å; I212-L214 HydrophobicContact CG2-CD1 4.33Å; I212-L214 HydrophobicContact CG2-CD2 3.76Å; I212-L214 HydrophobicContact CG2-CG 3.94Å; I212-I390 HydrophobicContact CD1-CG2 3.95Å; I212-I390 HydrophobicContact CG2-CD1 4.08Å; I212-I390 HydrophobicContact CG2-CG2 4.2Å; I212-L394 HydrophobicContact CD1-CD1 4.4Å
213L97.6Very high81.4Confident0 Ų056.4 Ų56.40%029%0.294CS..EExtended strand (participates in β ladder)trans-95.1108.4-177-63.3101.1000110.8T137 V211 Y240 Y243 V257 I258 V259 S260 L272T137-L213 HydrophobicContact CG2-CD2 4.36Å; T137-L213 HydrophobicContact CG2-CG 4.22Å; T137-L213 VanDerWaalsContact OG1-CA 3.25Å; T137-L213 WeakPolarHBondContact OG1-CA 3.28Å; V211-L213 HydrophobicContact CB-CD1 4.48Å; V211-L213 HydrophobicContact CG1-CD1 3.72Å; V211-L213 HydrophobicContact CG1-CG 4.1Å; L213-Y240 HydrophobicContact CB-CE1 4.22Å; L213-Y240 HydrophobicContact CD2-CD1 4.25Å; L213-Y240 HydrophobicContact CD2-CE1 3.63Å; L213-Y243 HydrophobicContact CD2-CD2 3.47Å; L213-Y243 VanDerWaalsContact CD2-CD2 3.47Å; L213-Y243 HydrophobicContact CD2-CE2 4.01Å; L213-Y243 HydrophobicContact CD2-CG 4.31Å; L213-V257 HydrophobicContact CD1-CG1 3.5Å; L213-I258 PolarHBondContact N-O 2.79Å; L213-V259 HydrophobicContact CD1-CG2 4.2Å; L213-S260 PolarHBondContact O-N 2.9Å; L213-L272 HydrophobicContact CD1-CD1 3.81Å; L213-L272 HydrophobicContact CD2-CD1 4.01Å; L213-L272 HydrophobicContact CD2-CD2 4.13Å
214L94Very high80.2Confident3 Ų354.4 Ų54.42%0.01629%0.285CS..  trans-117.811.1-177.7-49.3178.3000113.2I136 T137 T143 L147 I212 D216 I390I136-L214 HydrophobicContact CG2-CD1 3.69Å; I136-L214 HydrophobicContact CG2-CG 4.22Å; T137-L214 VanDerWaalsContact O-CB 3.3Å; T137-L214 WeakPolarHBondContact O-CB 3.29Å; T137-L214 PolarHBondContact O-N 2.98Å; T137-L214 PolarHBondContact OG1-N 2.85Å; T143-L214 HydrophobicContact CG2-CD1 4.01Å; T143-L214 HydrophobicContact CG2-CD2 4.13Å; L147-L214 HydrophobicContact CD2-CD1 4.35Å; I212-L214 HydrophobicContact CG2-CD1 4.33Å; I212-L214 HydrophobicContact CG2-CD2 3.76Å; I212-L214 HydrophobicContact CG2-CG 3.94Å; L214-D216 PolarHBondContact O-N 3.3Å; L214-I390 HydrophobicContact CD2-CD1 3.65Å
215D87Confident79.3Confident7 Ų757.6 Ų57.64%0.03731%0.307CS..  trans-58.3110.1174.5-56.9-81.8000109.5T137 G138 F217 Y240 Y243 R268T137-D215 WeakPolarHBondContact CB-OD2 3.11Å; T137-D215 VanDerWaalsContact OG1-CG 3.31Å; T137-D215 PolarHBondContact OG1-OD2 3.15Å; G138-D215 PolarHBondContact N-OD1 2.88Å; D215-F217 HydrophobicContact CB-CD2 4.3Å; D215-F217 HydrophobicContact CB-CE2 3.64Å; D215-F217 HydrophobicContact CB-CZ 4.43Å; D215-Y240 HydrophobicContact CB-CE2 4.44Å; D215-Y243 VanDerWaalsContact OD2-CE2 3.23Å; D215-Y243 WeakPolarHBondContact OD2-CE2 3.46Å; D215-Y243 PolarHBondContact OD2-OH 3.22Å; D215-R268 PolarHBondContact O-NH1 3.38Å
216D71.2Confident78.4Confident35 Ų3562.7 Ų62.719%0.18733%0.334CS..  trans-98.1130.7167.2-147.1-32.3000109.1L214 M262 E381L214-D216 PolarHBondContact O-N 3.3Å; D216-M262 PolarHBondContact OD2-N 3.48Å; D216-E381 WeakPolarHBondContact CB-OE1 3.28Å; D216-E381 VanDerWaalsContact OD2-CD 3.28Å
217F64.8Low77.6Confident39 Ų3964.2 Ų64.217%0.17134%0.342CS..  trans-105.596.9178.6-68.8-107.6000104D215 A219 L236 R239 Y240D215-F217 HydrophobicContact CB-CD2 4.3Å; D215-F217 HydrophobicContact CB-CE2 3.64Å; D215-F217 HydrophobicContact CB-CZ 4.43Å; F217-A219 PolarHBondContact O-N 2.96Å; F217-L236 HydrophobicContact CD1-CB 4.18Å; F217-L236 HydrophobicContact CD1-CD1 4.48Å; F217-L236 HydrophobicContact CD2-CD1 3.44Å; F217-L236 VanDerWaalsContact CD2-CD1 3.44Å; F217-L236 HydrophobicContact CD2-CG 4.38Å; F217-L236 HydrophobicContact CE1-CB 4.05Å; F217-L236 HydrophobicContact CE1-CD1 4.21Å; F217-L236 HydrophobicContact CE2-CB 4.43Å; F217-L236 HydrophobicContact CE2-CD1 3.11Å; F217-L236 HydrophobicContact CE2-CG 4.3Å; F217-L236 HydrophobicContact CG-CB 4.38Å; F217-L236 HydrophobicContact CG-CD1 4.12Å; F217-L236 HydrophobicContact CZ-CB 4.15Å; F217-L236 HydrophobicContact CZ-CD1 3.51Å; F217-L236 HydrophobicContact CZ-CG 4.44Å; F217-R239 VanDerWaalsContact CE1-CZ 3.5Å; F217-R239 VanDerWaalsContact CZ-CZ 3.45Å; F217-Y240 HydrophobicContact CE2-CE2 4.05Å
218N58.4Low76.9Confident132 Ų13260.4 Ų60.471%0.70633%0.33SS*.  trans-18116.1-176-74.8-26.2000112.9
219A52.4Low75.9Confident55 Ų5564.3 Ų64.346%0.45535%0.345SS..  trans-49.3141.417500000110F217 S221F217-A219 PolarHBondContact O-N 2.96Å; A219-S221 PolarHBondContact O-N 3.33Å
220D50.9Low75.2Confident91 Ų9166.4 Ų66.449%0.48735%0.353SS..  trans-35.6110.1-179.9-62.9-24.8000110.9E222 R232D220-E222 PolarHBondContact O-N 3.08Å; D220-R232 IonicContact OD1-CZ 3.59Å; D220-R232 IonicContact OD1-NH2 2.79Å; D220-R232 PolarHBondContact OD1-NH2 3.02Å
221S50.8Low74.6Confident71 Ų7170.7 Ų70.750%0.49737%0.373SS..  trans-63.8134164.872.10000106.4A219 N223 E224A219-S221 PolarHBondContact O-N 3.33Å; S221-N223 PolarHBondContact O-N 3.43Å; S221-E224 WeakPolarHBondContact O-CB 3.35Å; S221-E224 PolarHBondContact O-N 2.91Å
222E51.6Low73.9Confident199 Ų19973.2 Ų73.293%0.9338%0.382SS*.THydrogen-bonded Turntrans-53-16.5-176.2-67.9-175.3159.300114.3D220D220-E222 PolarHBondContact O-N 3.08Å
223N57.4Low73.2Confident160 Ų16074.3 Ų74.386%0.85639%0.389SS*.THydrogen-bonded Turntrans-1009.7-179.8-64.3-40.1000114.8S221S221-N223 PolarHBondContact O-N 3.43Å
224E68.6Low72.8Confident67 Ų6776.9 Ų76.931%0.31340%0.4SS..  trans-84.4137.7-175-162.6170.3-145.800113.2S221 A228 R232S221-E224 WeakPolarHBondContact O-CB 3.35Å; S221-E224 PolarHBondContact O-N 2.91Å; E224-A228 HydrophobicContact CG-CB 3.67Å; E224-R232 IonicContact OE1-CZ 2.95Å; E224-R232 VanDerWaalsContact OE1-CZ 3.27Å; E224-R232 IonicContact OE1-NE 2.7Å; E224-R232 IonicContact OE1-NH1 3.98Å; E224-R232 PolarHBondContact OE1-NH1 3.46Å; E224-R232 IonicContact OE1-NH2 3.99Å; E224-R232 IonicContact OE2-CZ 2.75Å; E224-R232 IonicContact OE2-NE 3.98Å; E224-R232 IonicContact OE2-NH1 3.59Å; E224-R232 PolarHBondContact OE2-NH1 2.88Å; E224-R232 IonicContact OE2-NH2 2.69Å; E224-R232 PolarHBondContact OE2-NH2 3.28Å
225S77.7Confident72.5Confident68 Ų6880.1 Ų80.148%0.47642%0.418SS..  trans-71150.117770.80000111.9E227 A228 R229S225-E227 PolarHBondContact O-N 2.77Å; S225-E227 VanDerWaalsContact O-N 3.15Å; S225-A228 PolarHBondContact O-N 2.9Å; S225-A228 VanDerWaalsContact O-N 3.1Å; S225-A228 WeakPolarHBondContact OG-CB 3.19Å; S225-A228 PolarHBondContact OG-N 2.91Å; S225-R229 PolarHBondContact O-N 2.95Å
226D79Confident72.7Confident106 Ų10680 Ų8057%0.56742%0.417SS*.Hα-helixtrans-54.6-33.9175.1-89.7-43.1000113.2R229 K230D226-R229 IonicContact OD1-CZ 2.89Å; D226-R229 IonicContact OD1-NE 3.42Å; D226-R229 IonicContact OD1-NH2 2.89Å; D226-R229 PolarHBondContact OD1-NH2 3.39Å; D226-K230 WeakPolarHBondContact O-CG 3.4Å; D226-K230 PolarHBondContact O-N 3.19Å
227E81.6Confident73.7Confident125 Ų12578.4 Ų78.458%0.58441%0.408SS*.Hα-helixtrans-70.7-41.7178.6-66.2-60.4-81.300111.9S225 R229 K230 Q231S225-E227 PolarHBondContact O-N 2.77Å; S225-E227 VanDerWaalsContact O-N 3.15Å; E227-R229 VanDerWaalsContact C-N 3.33Å; E227-R229 PolarHBondContact O-N 3.45Å; E227-K230 PolarHBondContact O-N 3.03Å; E227-K230 WeakPolarHBondContact OE2-CD 3.43Å; E227-K230 IonicContact OE2-NZ 2.78Å; E227-K230 PolarHBondContact OE2-NZ 3.28Å; E227-Q231 PolarHBondContact O-N 3.29Å
228A80.1Confident75.1Confident36 Ų3680.1 Ų80.130%0.29842%0.417SS..Hα-helixtrans-64.1-40.6175.100000111.1E224 S225 Q231 R232E224-A228 HydrophobicContact CG-CB 3.67Å; S225-A228 PolarHBondContact O-N 2.9Å; S225-A228 VanDerWaalsContact O-N 3.1Å; S225-A228 WeakPolarHBondContact OG-CB 3.19Å; S225-A228 PolarHBondContact OG-N 2.91Å; A228-Q231 PolarHBondContact O-N 2.84Å; A228-R232 VanDerWaalsContact C-NH1 3.32Å; A228-R232 PolarHBondContact O-N 3.15Å; A228-R232 PolarHBondContact O-NH1 2.81Å; A228-R232 VanDerWaalsContact O-NH1 3.1Å
229R78.4Confident76.8Confident81 Ų8177.1 Ų77.131%0.30640%0.396SS..Hα-helixtrans-58.3-49172.3-169.2-173.76069.63.2112.8S225 D226 E227 Q231 R232 V233S225-R229 PolarHBondContact O-N 2.95Å; D226-R229 IonicContact OD1-CZ 2.89Å; D226-R229 IonicContact OD1-NE 3.42Å; D226-R229 IonicContact OD1-NH2 2.89Å; D226-R229 PolarHBondContact OD1-NH2 3.39Å; E227-R229 VanDerWaalsContact C-N 3.33Å; E227-R229 PolarHBondContact O-N 3.45Å; R229-Q231 VanDerWaalsContact C-N 3.32Å; R229-Q231 PolarHBondContact O-N 2.87Å; R229-R232 PolarHBondContact O-N 2.91Å; R229-V233 WeakPolarHBondContact O-CG2 3.3Å; R229-V233 PolarHBondContact O-N 3.4Å
230K82.8Confident78.9Confident114 Ų11474.5 Ų74.550%0.49637%0.374SS..Hα-helixtrans-59.7-43175.8-73.6173.5-166.3163.60111.9D226 E227 V233 K234D226-K230 WeakPolarHBondContact O-CG 3.4Å; D226-K230 PolarHBondContact O-N 3.19Å; E227-K230 PolarHBondContact O-N 3.03Å; E227-K230 WeakPolarHBondContact OE2-CD 3.43Å; E227-K230 IonicContact OE2-NZ 2.78Å; E227-K230 PolarHBondContact OE2-NZ 3.28Å; K230-V233 PolarHBondContact O-N 2.9Å; K230-K234 WeakPolarHBondContact O-CB 3.38Å; K230-K234 PolarHBondContact O-N 3.06Å
231Q85.2Confident81.1Confident95 Ų9572 Ų7244%0.44436%0.358SS..Hα-helixtrans-65.3-41179.1-171.461.347.700112.1E227 A228 R229 K234 N235E227-Q231 PolarHBondContact O-N 3.29Å; A228-Q231 PolarHBondContact O-N 2.84Å; R229-Q231 VanDerWaalsContact C-N 3.32Å; R229-Q231 PolarHBondContact O-N 2.87Å; Q231-K234 PolarHBondContact O-N 3.32Å; Q231-N235 PolarHBondContact NE2-OD1 3.48Å; Q231-N235 VanDerWaalsContact O-CG 3.23Å; Q231-N235 PolarHBondContact O-N 2.84Å; Q231-N235 PolarHBondContact O-OD1 2.8Å
232R83.1Confident83.3Confident53 Ų5371.5 Ų71.520%0.235%0.347CS..Hα-helixtrans-61.2-46.9173.8-80.7-160.4-40.3-52.6-0.5112D220 E224 A228 R229 K234 N235 L236D220-R232 IonicContact OD1-CZ 3.59Å; D220-R232 IonicContact OD1-NH2 2.79Å; D220-R232 PolarHBondContact OD1-NH2 3.02Å; E224-R232 IonicContact OE1-CZ 2.95Å; E224-R232 VanDerWaalsContact OE1-CZ 3.27Å; E224-R232 IonicContact OE1-NE 2.7Å; E224-R232 IonicContact OE1-NH1 3.98Å; E224-R232 PolarHBondContact OE1-NH1 3.46Å; E224-R232 IonicContact OE1-NH2 3.99Å; E224-R232 IonicContact OE2-CZ 2.75Å; E224-R232 IonicContact OE2-NE 3.98Å; E224-R232 IonicContact OE2-NH1 3.59Å; E224-R232 PolarHBondContact OE2-NH1 2.88Å; E224-R232 IonicContact OE2-NH2 2.69Å; E224-R232 PolarHBondContact OE2-NH2 3.28Å; A228-R232 VanDerWaalsContact C-NH1 3.32Å; A228-R232 PolarHBondContact O-N 3.15Å; A228-R232 PolarHBondContact O-NH1 2.81Å; A228-R232 VanDerWaalsContact O-NH1 3.1Å; R229-R232 PolarHBondContact O-N 2.91Å; R232-K234 VanDerWaalsContact C-N 3.26Å; R232-K234 PolarHBondContact O-N 2.91Å; R232-N235 PolarHBondContact O-N 3.28Å; R232-L236 VanDerWaalsContact O-CB 3.3Å; R232-L236 WeakPolarHBondContact O-CB 3.23Å; R232-L236 PolarHBondContact O-N 2.83Å
233V84.9Confident85.5Confident24 Ų2462 Ų6215%0.14530%0.303CS..Hα-helixtrans-61.2-38.9178.11730000110.8R229 K230 S237 F264 M267 T466R229-V233 WeakPolarHBondContact O-CG2 3.3Å; R229-V233 PolarHBondContact O-N 3.4Å; K230-V233 PolarHBondContact O-N 2.9Å; V233-S237 WeakPolarHBondContact O-CB 3.34Å; V233-S237 PolarHBondContact O-N 2.92Å; V233-S237 PolarHBondContact O-OG 3.11Å; V233-F264 HydrophobicContact CG2-CE1 4.44Å; V233-F264 HydrophobicContact CG2-CE2 4.1Å; V233-F264 HydrophobicContact CG2-CZ 3.85Å; V233-M267 HydrophobicContact CG1-CE 4.22Å; V233-T466 HydrophobicContact CG1-CG2 4.05Å
234K88.4Confident87.5Confident53 Ų5354.4 Ų54.423%0.2326%0.262CS..Hα-helixtrans-62.3-52.1174.5-175.7177.3176.3176.90111.9K230 Q231 R232 L236 S237 E238K230-K234 WeakPolarHBondContact O-CB 3.38Å; K230-K234 PolarHBondContact O-N 3.06Å; Q231-K234 PolarHBondContact O-N 3.32Å; R232-K234 VanDerWaalsContact C-N 3.26Å; R232-K234 PolarHBondContact O-N 2.91Å; K234-L236 VanDerWaalsContact C-N 3.32Å; K234-L236 PolarHBondContact O-N 3.23Å; K234-S237 WeakPolarHBondContact O-CB 3.5Å; K234-S237 PolarHBondContact O-N 3.12Å; K234-E238 WeakPolarHBondContact CE-OE1 3.42Å; K234-E238 PolarHBondContact O-N 3.11Å
235N89.2Confident88.9Confident72 Ų7258 Ų5839%0.38527%0.273SS..Hα-helixtrans-59.6-42.4178.7-68.1-5.4000111.9Q231 R232 S237 R239Q231-N235 PolarHBondContact NE2-OD1 3.48Å; Q231-N235 VanDerWaalsContact O-CG 3.23Å; Q231-N235 PolarHBondContact O-N 2.84Å; Q231-N235 PolarHBondContact O-OD1 2.8Å; R232-N235 PolarHBondContact O-N 3.28Å; N235-S237 VanDerWaalsContact C-N 3.32Å; N235-S237 PolarHBondContact O-N 2.87Å; N235-R239 WeakPolarHBondContact O-CB 3.41Å; N235-R239 PolarHBondContact O-N 3.39Å
236L90.1Very high89.9Confident4 Ų455.4 Ų55.42%0.02125%0.254CS..Hα-helixtrans-57.6-46.9173.5164.665000110.8F217 R232 K234 R239 Y240 F264 M267 R268F217-L236 HydrophobicContact CD1-CB 4.18Å; F217-L236 HydrophobicContact CD1-CD1 4.48Å; F217-L236 HydrophobicContact CD2-CD1 3.44Å; F217-L236 VanDerWaalsContact CD2-CD1 3.44Å; F217-L236 HydrophobicContact CD2-CG 4.38Å; F217-L236 HydrophobicContact CE1-CB 4.05Å; F217-L236 HydrophobicContact CE1-CD1 4.21Å; F217-L236 HydrophobicContact CE2-CB 4.43Å; F217-L236 HydrophobicContact CE2-CD1 3.11Å; F217-L236 HydrophobicContact CE2-CG 4.3Å; F217-L236 HydrophobicContact CG-CB 4.38Å; F217-L236 HydrophobicContact CG-CD1 4.12Å; F217-L236 HydrophobicContact CZ-CB 4.15Å; F217-L236 HydrophobicContact CZ-CD1 3.51Å; F217-L236 HydrophobicContact CZ-CG 4.44Å; R232-L236 VanDerWaalsContact O-CB 3.3Å; R232-L236 WeakPolarHBondContact O-CB 3.23Å; R232-L236 PolarHBondContact O-N 2.83Å; K234-L236 VanDerWaalsContact C-N 3.32Å; K234-L236 PolarHBondContact O-N 3.23Å; L236-R239 PolarHBondContact O-N 3.42Å; L236-Y240 HydrophobicContact CD1-CD2 3.48Å; L236-Y240 VanDerWaalsContact CD1-CD2 3.48Å; L236-Y240 HydrophobicContact CD1-CE2 3.57Å; L236-Y240 HydrophobicContact CD1-CG 4.46Å; L236-Y240 PolarHBondContact O-N 2.96Å; L236-F264 HydrophobicContact CD2-CB 4.13Å; L236-F264 HydrophobicContact CD2-CD2 3.93Å; L236-F264 HydrophobicContact CD2-CG 4.25Å; L236-M267 HydrophobicContact CD2-CE 3.86Å; L236-M267 HydrophobicContact CG-CE 4.46Å; L236-R268 HydrophobicContact CD1-CG 3.86Å; L236-R268 HydrophobicContact CD2-CG 4.25Å; L236-R268 HydrophobicContact CG-CG 4.38Å
237S92.4Very high90.9Very high1 Ų150.3 Ų50.31%0.00723%0.227CC..Hα-helixtrans-66.2-43.5-176.9-56.70000112V233 K234 N235 R239 Y240 R241 T466V233-S237 WeakPolarHBondContact O-CB 3.34Å; V233-S237 PolarHBondContact O-N 2.92Å; V233-S237 PolarHBondContact O-OG 3.11Å; K234-S237 WeakPolarHBondContact O-CB 3.5Å; K234-S237 PolarHBondContact O-N 3.12Å; N235-S237 VanDerWaalsContact C-N 3.32Å; N235-S237 PolarHBondContact O-N 2.87Å; S237-R239 VanDerWaalsContact C-N 3.33Å; S237-Y240 PolarHBondContact O-N 3.45Å; S237-R241 WeakPolarHBondContact O-CG 3.47Å; S237-R241 PolarHBondContact O-N 2.91Å; S237-T466 WeakPolarHBondContact OG-CG2 3.43Å
238E93.9Very high91.7Very high76 Ų7646 Ų4636%0.35521%0.208SC..Hα-helixtrans-60.6-43.4174.6-72.1173-176.600111.4K234 R241 E242K234-E238 WeakPolarHBondContact CE-OE1 3.42Å; K234-E238 PolarHBondContact O-N 3.11Å; E238-R241 PolarHBondContact O-N 3.22Å; E238-E242 PolarHBondContact O-N 3.5Å
239R94.3Very high92.5Very high69 Ų6947.2 Ų47.226%0.2622%0.224SC..Hα-helixtrans-61.8-46.8177.3-169.9-177.4-56.9177.5-4112.3L170 F217 N235 L236 S237 E242 Y243L170-R239 HydrophobicContact CD1-CG 4.28Å; F217-R239 VanDerWaalsContact CE1-CZ 3.5Å; F217-R239 VanDerWaalsContact CZ-CZ 3.45Å; N235-R239 WeakPolarHBondContact O-CB 3.41Å; N235-R239 PolarHBondContact O-N 3.39Å; L236-R239 PolarHBondContact O-N 3.42Å; S237-R239 VanDerWaalsContact C-N 3.33Å; R239-E242 PolarHBondContact O-N 3.32Å; R239-Y243 WeakPolarHBondContact CD-OH 3.33Å; R239-Y243 HydrophobicContact CG-CD1 4.37Å; R239-Y243 HydrophobicContact CG-CD2 4.38Å; R239-Y243 HydrophobicContact CG-CE1 3.88Å; R239-Y243 HydrophobicContact CG-CE2 3.9Å; R239-Y243 PolarHBondContact O-N 3.01Å
240Y96.1Very high93.5Very high0 Ų047.4 Ų47.40%022%0.224CC..Hα-helixtrans-71.1-30.1-178.9-90-107.9000112.8L213 D215 F217 L236 S237 Y243 G244 V259 R268 L272L213-Y240 HydrophobicContact CB-CE1 4.22Å; L213-Y240 HydrophobicContact CD2-CD1 4.25Å; L213-Y240 HydrophobicContact CD2-CE1 3.63Å; D215-Y240 HydrophobicContact CB-CE2 4.44Å; F217-Y240 HydrophobicContact CE2-CE2 4.05Å; L236-Y240 HydrophobicContact CD1-CD2 3.48Å; L236-Y240 VanDerWaalsContact CD1-CD2 3.48Å; L236-Y240 HydrophobicContact CD1-CE2 3.57Å; L236-Y240 HydrophobicContact CD1-CG 4.46Å; L236-Y240 PolarHBondContact O-N 2.96Å; S237-Y240 PolarHBondContact O-N 3.45Å; Y240-Y243 HydrophobicContact CD2-CD2 4.23Å; Y240-Y243 HydrophobicContact CD2-CE2 4.42Å; Y240-Y243 HydrophobicContact CE2-CD2 4.28Å; Y240-Y243 HydrophobicContact CE2-CE2 4.17Å; Y240-Y243 HydrophobicContact CG-CD2 4.36Å; Y240-G244 PolarHBondContact O-N 3.4Å; Y240-V259 HydrophobicContact CE1-CG1 4.45Å; Y240-R268 HydrophobicContact CD1-CB 3.63Å; Y240-R268 HydrophobicContact CD1-CG 4Å; Y240-R268 WeakPolarHBondContact CD1-O 3.31Å; Y240-R268 HydrophobicContact CD2-CG 4.24Å; Y240-R268 HydrophobicContact CE1-CB 3.52Å; Y240-R268 HydrophobicContact CE1-CG 3.87Å; Y240-R268 HydrophobicContact CE2-CG 4.13Å; Y240-R268 HydrophobicContact CG-CB 4.27Å; Y240-R268 HydrophobicContact CG-CG 4.19Å; Y240-R268 VanDerWaalsContact CZ-CD 3.49Å; Y240-R268 PolarHBondContact OH-NH1 3.29Å; Y240-L272 HydrophobicContact CD1-CD1 4.03Å; Y240-L272 HydrophobicContact CD1-CD2 3.98Å; Y240-L272 HydrophobicContact CD1-CG 3.86Å; Y240-L272 HydrophobicContact CE1-CD1 4.2Å; Y240-L272 WeakPolarHBondContact O-CD2 3.46Å
241R97.1Very high94.2Very high39 Ų3942.5 Ų42.515%0.14721%0.205CC..Hα-helixtrans-64.4-42.7168.5-71.9-176.6-176107.55.2111.6S237 E238 G244 R245 L271 S275 T466S237-R241 WeakPolarHBondContact O-CG 3.47Å; S237-R241 PolarHBondContact O-N 2.91Å; E238-R241 PolarHBondContact O-N 3.22Å; R241-G244 PolarHBondContact O-N 2.98Å; R241-R245 PolarHBondContact O-N 3.26Å; R241-L271 HydrophobicContact CG-CB 4.39Å; R241-L271 HydrophobicContact CG-CD2 4.05Å; R241-S275 WeakPolarHBondContact CA-OG 3.38Å; R241-S275 VanDerWaalsContact O-CB 3.32Å; R241-S275 WeakPolarHBondContact O-CB 3.49Å; R241-T466 PolarHBondContact NH2-OG1 2.9Å
242E97.9Very high94.8Very high59 Ų5941.3 Ų41.328%0.27620%0.202SC..Hα-helixtrans-64-44.8176.3-174.159.1-165.700111.8L201 E238 R239 G244 R245 L246L201-E242 HydrophobicContact CD1-CG 3.94Å; E238-E242 PolarHBondContact O-N 3.5Å; R239-E242 PolarHBondContact O-N 3.32Å; E242-G244 VanDerWaalsContact C-N 3.3Å; E242-G244 PolarHBondContact O-N 3.43Å; E242-R245 PolarHBondContact O-N 2.98Å; E242-R245 IonicContact OE2-CZ 3.37Å; E242-R245 IonicContact OE2-NE 3.21Å; E242-R245 PolarHBondContact OE2-NE 3.47Å; E242-R245 IonicContact OE2-NH2 3.21Å; E242-R245 PolarHBondContact OE2-NH2 3.17Å; E242-L246 HydrophobicContact CG-CD1 3.98Å; E242-L246 HydrophobicContact CG-CG 4.35Å; E242-L246 VanDerWaalsContact O-CG 3.24Å; E242-L246 WeakPolarHBondContact O-CG 3.33Å; E242-L246 PolarHBondContact O-N 3.09Å
243Y98.4Very high95.4Very high0 Ų043.5 Ų43.50%021%0.213CC..Hα-helixtrans-55.2-45.8172.3-69.1-14.3000112.2T137 L168 L170 L201 F205 L213 D215 R239 Y240 R245 L246 I247T137-Y243 HydrophobicContact CG2-CE2 4.32Å; L168-Y243 HydrophobicContact CD2-CE1 4.38Å; L170-Y243 HydrophobicContact CD1-CE1 4.4Å; L201-Y243 HydrophobicContact CD1-CE1 4.43Å; L201-Y243 HydrophobicContact CD2-CD1 4.24Å; L201-Y243 HydrophobicContact CD2-CE1 3.64Å; F205-Y243 AromaticContact CE2-CD1 3.69Å; F205-Y243 HydrophobicContact CE2-CD1 3.69Å; F205-Y243 HydrophobicContact CE2-CE1 4.34Å; F205-Y243 AromaticContact CE2-CG 3.98Å; F205-Y243 HydrophobicContact CE2-CG 3.98Å; F205-Y243 AromaticContact CZ-CD1 3.97Å; F205-Y243 HydrophobicContact CZ-CD1 3.97Å; F205-Y243 HydrophobicContact CZ-CE1 4.32Å; F205-Y243 HydrophobicContact CZ-CG 4.1Å; L213-Y243 HydrophobicContact CD2-CD2 3.47Å; L213-Y243 VanDerWaalsContact CD2-CD2 3.47Å; L213-Y243 HydrophobicContact CD2-CE2 4.01Å; L213-Y243 HydrophobicContact CD2-CG 4.31Å; D215-Y243 VanDerWaalsContact OD2-CE2 3.23Å; D215-Y243 WeakPolarHBondContact OD2-CE2 3.46Å; D215-Y243 PolarHBondContact OD2-OH 3.22Å; R239-Y243 WeakPolarHBondContact CD-OH 3.33Å; R239-Y243 HydrophobicContact CG-CD1 4.37Å; R239-Y243 HydrophobicContact CG-CD2 4.38Å; R239-Y243 HydrophobicContact CG-CE1 3.88Å; R239-Y243 HydrophobicContact CG-CE2 3.9Å; R239-Y243 PolarHBondContact O-N 3.01Å; Y240-Y243 HydrophobicContact CD2-CD2 4.23Å; Y240-Y243 HydrophobicContact CD2-CE2 4.42Å; Y240-Y243 HydrophobicContact CE2-CD2 4.28Å; Y240-Y243 HydrophobicContact CE2-CE2 4.17Å; Y240-Y243 HydrophobicContact CG-CD2 4.36Å; Y243-R245 PolarHBondContact O-N 3.38Å; Y243-L246 PolarHBondContact O-N 3.23Å; Y243-I247 WeakPolarHBondContact O-CB 3.37Å; Y243-I247 WeakPolarHBondContact O-CG1 3.38Å; Y243-I247 PolarHBondContact O-N 3.36Å
244G98.3Very high95.9Very high0 Ų048 Ų480%023%0.232CC..Hα-helixtrans-58.7-46.617700000112Y240 R241 E242 L246 I247 D248 S275Y240-G244 PolarHBondContact O-N 3.4Å; R241-G244 PolarHBondContact O-N 2.98Å; E242-G244 VanDerWaalsContact C-N 3.3Å; E242-G244 PolarHBondContact O-N 3.43Å; G244-L246 VanDerWaalsContact C-N 3.33Å; G244-L246 PolarHBondContact O-N 3.29Å; G244-I247 PolarHBondContact O-N 3.26Å; G244-D248 WeakPolarHBondContact O-CB 3.36Å; G244-D248 PolarHBondContact O-N 2.8Å; G244-S275 CarbonylContact C-O 3.5Å
245R98.6Very high96.4Very high143 Ų14345.4 Ų45.454%0.5422%0.221SC..Hα-helixtrans-59.6-41.3175.8-72.5-168.7-73.8-117.83113R241 E242 Y243 D248 G249 S275R241-R245 PolarHBondContact O-N 3.26Å; E242-R245 PolarHBondContact O-N 2.98Å; E242-R245 IonicContact OE2-CZ 3.37Å; E242-R245 IonicContact OE2-NE 3.21Å; E242-R245 PolarHBondContact OE2-NE 3.47Å; E242-R245 IonicContact OE2-NH2 3.21Å; E242-R245 PolarHBondContact OE2-NH2 3.17Å; Y243-R245 PolarHBondContact O-N 3.38Å; R245-D248 PolarHBondContact O-N 2.78Å; R245-G249 PolarHBondContact O-N 3.04Å; R245-G249 VanDerWaalsContact O-N 3.08Å; R245-S275 PolarHBondContact N-O 3.36Å
246L98.6Very high96.8Very high13 Ų1344.4 Ų44.47%0.06821%0.213CC..Hα-helixtrans-69.5-42.9179.8-65.6170.8000111.4L201 A204 F205 E242 Y243 G244 G249 R250L201-L246 HydrophobicContact CB-CD1 4Å; L201-L246 HydrophobicContact CD1-CD1 4.18Å; L201-L246 HydrophobicContact CD2-CD1 4.39Å; L201-L246 HydrophobicContact CG-CD1 4.42Å; A204-L246 HydrophobicContact CB-CD1 4.23Å; F205-L246 HydrophobicContact CD2-CB 3.76Å; F205-L246 HydrophobicContact CE2-CB 4.36Å; E242-L246 HydrophobicContact CG-CD1 3.98Å; E242-L246 HydrophobicContact CG-CG 4.35Å; E242-L246 VanDerWaalsContact O-CG 3.24Å; E242-L246 WeakPolarHBondContact O-CG 3.33Å; E242-L246 PolarHBondContact O-N 3.09Å; Y243-L246 PolarHBondContact O-N 3.23Å; G244-L246 VanDerWaalsContact C-N 3.33Å; G244-L246 PolarHBondContact O-N 3.29Å; L246-G249 PolarHBondContact O-N 3.13Å; L246-R250 WeakPolarHBondContact O-CB 3.04Å; L246-R250 WeakPolarHBondContact O-CG 3.23Å; L246-R250 PolarHBondContact O-N 3.29Å
247I98.7Very high97.2Very high0 Ų044.2 Ų44.20%021%0.212CC..Hα-helixtrans-60.7-47.1174-65.4167.1000109.5F205 V211 Y243 G244 G249 R250 A251 V255 V257 L272 I279F205-I247 HydrophobicContact CB-CG1 4.07Å; F205-I247 HydrophobicContact CD1-CG1 4.21Å; F205-I247 HydrophobicContact CD2-CG1 3.69Å; F205-I247 HydrophobicContact CE2-CG1 4.16Å; F205-I247 HydrophobicContact CG-CG1 3.71Å; V211-I247 HydrophobicContact CG1-CD1 4.13Å; V211-I247 HydrophobicContact CG2-CD1 4.47Å; V211-I247 HydrophobicContact CG2-CG1 4.41Å; Y243-I247 WeakPolarHBondContact O-CB 3.37Å; Y243-I247 WeakPolarHBondContact O-CG1 3.38Å; Y243-I247 PolarHBondContact O-N 3.36Å; G244-I247 PolarHBondContact O-N 3.26Å; I247-G249 VanDerWaalsContact C-N 3.33Å; I247-G249 PolarHBondContact O-N 2.92Å; I247-R250 PolarHBondContact O-N 2.85Å; I247-A251 HydrophobicContact CG2-CB 3.88Å; I247-A251 WeakPolarHBondContact O-CB 3.18Å; I247-A251 PolarHBondContact O-N 2.94Å; I247-V255 HydrophobicContact CG2-CG1 4.03Å; I247-V257 HydrophobicContact CD1-CG1 4.45Å; I247-V257 HydrophobicContact CG2-CG2 4.25Å; I247-L272 HydrophobicContact CD1-CD2 4.23Å; I247-I279 HydrophobicContact CG2-CD1 3.58Å
248D98.5Very high97.5Very high34 Ų3444.1 Ų44.118%0.18221%0.212CC..Hα-helixtrans-56-44.8178.9-165.464.7000113.2G244 R245 K253 A276 S278G244-D248 WeakPolarHBondContact O-CB 3.36Å; G244-D248 PolarHBondContact O-N 2.8Å; R245-D248 PolarHBondContact O-N 2.78Å; D248-K253 PolarHBondContact O-NZ 3.35Å; D248-A276 HydrophobicContact CB-CB 3.88Å; D248-A276 WeakPolarHBondContact OD1-CA 3.31Å; D248-S278 WeakPolarHBondContact OD1-CA 3.36Å; D248-S278 WeakPolarHBondContact OD1-CB 3.1Å; D248-S278 PolarHBondContact OD1-N 2.9Å; D248-S278 PolarHBondContact OD1-OG 3.05Å; D248-S278 PolarHBondContact OD2-OG 3.04Å
249G98.1Very high97.6Very high62 Ų6240.5 Ų40.564%0.63920%0.195SC*.Hα-helixtrans-85-22.3-17500000115.3R245 L246 I247R245-G249 PolarHBondContact O-N 3.04Å; R245-G249 VanDerWaalsContact O-N 3.08Å; L246-G249 PolarHBondContact O-N 3.13Å; I247-G249 VanDerWaalsContact C-N 3.33Å; I247-G249 PolarHBondContact O-N 2.92Å
250R98.1Very high97.6Very high84 Ų8437.3 Ų37.332%0.31718%0.183SC..Hα-helixtrans-127.5-22.9-166.2-55175.2176.2-176.9-4115.3L201 E202 A204 F205 E207 L246 I247L201-R250 PolarHBondContact O-NH1 3.15Å; E202-R250 PolarHBondContact O-NH1 2.56Å; E202-R250 PolarHBondContact O-NH2 2.94Å; A204-R250 VanDerWaalsContact O-CD 3.3Å; A204-R250 WeakPolarHBondContact O-CD 3.27Å; A204-R250 PolarHBondContact O-NH1 3.34Å; A204-R250 VanDerWaalsContact O-NH1 3.15Å; F205-R250 CarbonylContact O-C 3.56Å; E207-R250 PolarHBondContact N-O 3Å; L246-R250 WeakPolarHBondContact O-CB 3.04Å; L246-R250 WeakPolarHBondContact O-CG 3.23Å; L246-R250 PolarHBondContact O-N 3.29Å; I247-R250 PolarHBondContact O-N 2.85Å
251A98.4Very high97.1Very high11 Ų1137.7 Ų37.79%0.09119%0.187CC..SBendtrans-82.3166.7-179.900000111.9F205 A208 I247 V255F205-A251 PolarHBondContact O-N 3.21Å; A208-A251 HydrophobicContact CB-CB 3.88Å; I247-A251 HydrophobicContact CG2-CB 3.88Å; I247-A251 WeakPolarHBondContact O-CB 3.18Å; I247-A251 PolarHBondContact O-N 2.94Å; A251-V255 HydrophobicContact CB-CB 4.05Å; A251-V255 HydrophobicContact CB-CG1 4.01Å; A251-V255 HydrophobicContact CB-CG2 4.1Å
252D97.6Very high96.2Very high71 Ų7136.5 Ų36.538%0.3818%0.183SC..  trans-61.1148.3168-173-91.8000110.7A208 E254 V255A208-D252 WeakPolarHBondContact O-CB 3.37Å; A208-D252 PolarHBondContact O-N 2.98Å; D252-E254 PolarHBondContact O-N 3.05Å; D252-E254 WeakPolarHBondContact OD1-CA 3.45Å; D252-E254 WeakPolarHBondContact OD1-CB 3.37Å; D252-E254 PolarHBondContact OD1-N 3.49Å; D252-V255 WeakPolarHBondContact O-CB 3.3Å; D252-V255 WeakPolarHBondContact O-CG1 3.38Å; D252-V255 PolarHBondContact O-N 3.34Å; D252-V255 VanDerWaalsContact O-N 3.12Å
253K95.8Very high95.5Very high99 Ų9934.6 Ų34.643%0.4318%0.177SC..THydrogen-bonded Turntrans-72.5-18.9-177.5-62.1-55-177.3-175.30113.6D248 S278D248-K253 PolarHBondContact O-NZ 3.35Å; K253-S278 PolarHBondContact NZ-OG 3.25Å
254E95.8Very high95Very high117 Ų11737.8 Ų37.855%0.54719%0.19SC..THydrogen-bonded Turntrans-101.714.9172.5-63.7-62.9138.400112.5D252 K256 Q283D252-E254 PolarHBondContact O-N 3.05Å; D252-E254 WeakPolarHBondContact OD1-CA 3.45Å; D252-E254 WeakPolarHBondContact OD1-CB 3.37Å; D252-E254 PolarHBondContact OD1-N 3.49Å; E254-K256 WeakPolarHBondContact O-CE 3.22Å; E254-K256 PolarHBondContact O-N 3.08Å; E254-Q283 PolarHBondContact OE2-NE2 2.8Å
255V97.8Very high94.6Very high0 Ų037.8 Ų37.80%019%0.19CC..  trans-48.5137.7176.863.20000111.2A208 H209 V211 I247 A251 D252 V257 I279 Q283A208-V255 HydrophobicContact CB-CG2 4.3Å; A208-V255 WeakPolarHBondContact O-CG2 3.31Å; H209-V255 CarbonylContact O-C 3.43Å; H209-V255 WeakPolarHBondContact O-CA 3.39Å; V211-V255 HydrophobicContact CG2-CG2 3.87Å; I247-V255 HydrophobicContact CG2-CG1 4.03Å; A251-V255 HydrophobicContact CB-CB 4.05Å; A251-V255 HydrophobicContact CB-CG1 4.01Å; A251-V255 HydrophobicContact CB-CG2 4.1Å; D252-V255 WeakPolarHBondContact O-CB 3.3Å; D252-V255 WeakPolarHBondContact O-CG1 3.38Å; D252-V255 PolarHBondContact O-N 3.34Å; D252-V255 VanDerWaalsContact O-N 3.12Å; V255-V257 HydrophobicContact CG1-CG2 4.06Å; V255-V257 HydrophobicContact CG2-CG2 4.17Å; V255-I279 HydrophobicContact CG1-CD1 3.75Å; V255-I279 HydrophobicContact CG1-CG2 4.17Å; V255-Q283 WeakPolarHBondContact O-CB 3.5Å; V255-Q283 WeakPolarHBondContact O-CG 3.3Å
256K97.8Very high94.4Very high50 Ų5031 Ų3122%0.21717%0.165CC..EExtended strand (participates in β ladder)trans-97.1120.6174.8-53-53179.4-171.10110.5H209 V210 V211 E254 W397H209-K256 PolarHBondContact O-N 3.3Å; V210-K256 CarbonylContact C-O 3.56Å; V210-K256 VanDerWaalsContact CA-O 3.31Å; V210-K256 WeakPolarHBondContact CA-O 3.44Å; V210-K256 HydrophobicContact CG2-CB 4.32Å; V211-K256 PolarHBondContact N-O 3.19Å; E254-K256 WeakPolarHBondContact O-CE 3.22Å; E254-K256 PolarHBondContact O-N 3.08Å; K256-W397 HydrophobicContact CB-CD2 4.12Å; K256-W397 HydrophobicContact CB-CE3 3.76Å; K256-W397 HydrophobicContact CB-CH2 3.71Å; K256-W397 HydrophobicContact CB-CZ2 4.09Å; K256-W397 HydrophobicContact CB-CZ3 3.49Å; K256-W397 VanDerWaalsContact CB-CZ3 3.49Å; K256-W397 HydrophobicContact CD-CD2 4.04Å; K256-W397 HydrophobicContact CD-CG 4.19Å; K256-W397 HydrophobicContact CD-CZ2 4.3Å; K256-W397 HydrophobicContact CG-CD2 4.04Å; K256-W397 HydrophobicContact CG-CE3 4.06Å; K256-W397 HydrophobicContact CG-CG 4.38Å; K256-W397 HydrophobicContact CG-CZ3 4.29Å
257V98.6Very high94.2Very high0 Ų030.7 Ų30.70%016%0.163CC..EExtended strand (participates in β ladder)trans-114.2117.4-174.4-1740000110.5V211 L213 I247 V255 L272 Q283 F284 V285V211-V257 HydrophobicContact CB-CG1 4.47Å; V211-V257 HydrophobicContact CB-CG2 4.41Å; V211-V257 CarbonylContact O-C 3.6Å; V211-V257 WeakPolarHBondContact O-CA 3.5Å; L213-V257 HydrophobicContact CD1-CG1 3.5Å; I247-V257 HydrophobicContact CD1-CG1 4.45Å; I247-V257 HydrophobicContact CG2-CG2 4.25Å; V255-V257 HydrophobicContact CG1-CG2 4.06Å; V255-V257 HydrophobicContact CG2-CG2 4.17Å; V257-L272 HydrophobicContact CG1-CD1 4.09Å; V257-Q283 PolarHBondContact N-O 2.87Å; V257-F284 HydrophobicContact CB-CD1 3.54Å; V257-F284 HydrophobicContact CB-CE1 3.82Å; V257-F284 HydrophobicContact CB-CG 4.16Å; V257-F284 HydrophobicContact CG1-CD1 3.58Å; V257-F284 HydrophobicContact CG1-CE1 3.83Å; V257-F284 HydrophobicContact CG2-CD1 3.95Å; V257-F284 HydrophobicContact CG2-CE1 3.69Å; V257-F284 HydrophobicContact CG2-CZ 4.19Å; V257-F284 WeakPolarHBondContact O-CA 3.37Å; V257-V285 PolarHBondContact O-N 3.36Å
258I98.4Very high94Very high0 Ų030.8 Ų30.80%016%0.164CC..EExtended strand (participates in β ladder)trans-112.1124.9179.3-61.3169.6000109.6V211 L213 V285 I287 I390 V393 L394 W397V211-I258 PolarHBondContact O-N 2.87Å; L213-I258 PolarHBondContact N-O 2.79Å; I258-V285 WeakPolarHBondContact CA-O 3.37Å; I258-V285 HydrophobicContact CG1-CG2 4.05Å; I258-I287 HydrophobicContact CG2-CD1 3.54Å; I258-I287 HydrophobicContact CG2-CG1 3.46Å; I258-I287 VanDerWaalsContact CG2-CG1 3.46Å; I258-I390 HydrophobicContact CD1-CG2 4.09Å; I258-I390 HydrophobicContact CG2-CG1 4.17Å; I258-V393 HydrophobicContact CD1-CG1 4.14Å; I258-V393 HydrophobicContact CG1-CG1 4.21Å; I258-L394 HydrophobicContact CD1-CD1 4.49Å; I258-L394 HydrophobicContact CD1-CD2 3.78Å; I258-L394 HydrophobicContact CD1-CG 3.79Å; I258-W397 HydrophobicContact CD1-CE3 4.35Å; I258-W397 HydrophobicContact CD1-CH2 4.17Å; I258-W397 HydrophobicContact CD1-CZ3 3.45Å; I258-W397 VanDerWaalsContact CD1-CZ3 3.45Å; I258-W397 HydrophobicContact CG1-CH2 3.48Å; I258-W397 VanDerWaalsContact CG1-CH2 3.48Å; I258-W397 HydrophobicContact CG1-CZ3 3.29Å
259V97.4Very high93.9Very high0 Ų029.2 Ų29.20%016%0.155CC..EExtended strand (participates in β ladder)trans-104.5124.4170-175.90000109.9L213 Y240 V265 R268 C269 L272 V285 A286 I287L213-V259 HydrophobicContact CD1-CG2 4.2Å; Y240-V259 HydrophobicContact CE1-CG1 4.45Å; V259-V265 HydrophobicContact CG1-CG1 4.47Å; V259-R268 HydrophobicContact CG1-CB 3.92Å; V259-C269 HydrophobicContact CB-CB 4.1Å; V259-C269 HydrophobicContact CG1-CB 4.49Å; V259-C269 HydrophobicContact CG2-CB 3.8Å; V259-L272 HydrophobicContact CG2-CD1 3.49Å; V259-L272 VanDerWaalsContact CG2-CD1 3.49Å; V259-V285 PolarHBondContact N-O 3.39Å; V259-A286 HydrophobicContact CB-CB 4.5Å; V259-A286 WeakPolarHBondContact O-CA 3.11Å; V259-I287 PolarHBondContact O-N 3.31Å
260S93.7Very high93.8Very high1 Ų126.5 Ų26.51%0.00713%0.127CC..  trans-134.5171.3175.9-163.90000111.1L213 R268 Q290L213-S260 PolarHBondContact O-N 2.9Å; S260-R268 PolarHBondContact O-NH1 2.87Å; S260-R268 PolarHBondContact O-NH2 3.18Å; S260-Q290 PolarHBondContact OG-NE2 2.93Å; S260-Q290 VanDerWaalsContact OG-NE2 3.13Å
261G86Confident93.7Very high8 Ų822.6 Ų22.68%0.08211%0.112CC..SBendtrans124.9-178.6-17600000111.7V265G261-V265 WeakPolarHBondContact O-CG2 3.08Å
262M78.2Confident93.6Very high14 Ų1422 Ų227%0.06911%0.107CC..SBendtrans-97.7-26.7-171.5-60-161.370.700113.9D216 S320 R371 L375 E381 A382D216-M262 PolarHBondContact OD2-N 3.48Å; M262-S320 WeakPolarHBondContact O-CB 3.41Å; M262-R371 PolarHBondContact O-NH2 2.95Å; M262-L375 HydrophobicContact CB-CD2 4Å; M262-L375 HydrophobicContact CE-CD1 4.39Å; M262-L375 HydrophobicContact CE-CD2 3.39Å; M262-L375 HydrophobicContact CE-CG 3.56Å; M262-L375 HydrophobicContact CG-CD2 4.38Å; M262-L375 HydrophobicContact SD-CD2 3.53Å; M262-L375 VanDerWaalsContact SD-CD2 3.53Å; M262-L375 HydrophobicContact SD-CG 4.29Å; M262-E381 HydrophobicContact CG-CB 4.36Å; M262-E381 HydrophobicContact CG-CG 4.42Å; M262-E381 HydrophobicContact SD-CB 4.01Å; M262-E381 HydrophobicContact SD-CG 4.23Å; M262-A382 HydrophobicContact CE-CB 4.39Å; M262-A382 HydrophobicContact SD-CB 4.38Å
263S82.6Confident93.6Very high20 Ų2020 Ų2014%0.1410%0.097CC..SBendtrans-109.9141.9-171.6-56.30000112.6V265 R268S263-V265 PolarHBondContact O-N 2.7Å; S263-R268 PolarHBondContact O-NE 3.35Å; S263-R268 PolarHBondContact O-NH2 2.94Å
264F87.3Confident93.6Very high66 Ų6621 Ų2129%0.28910%0.103SC..SBendtrans45.534.5172.1-55.3-75000115.8V233 L236 N266 M267 R268 S320V233-F264 HydrophobicContact CG2-CE1 4.44Å; V233-F264 HydrophobicContact CG2-CE2 4.1Å; V233-F264 HydrophobicContact CG2-CZ 3.85Å; L236-F264 HydrophobicContact CD2-CB 4.13Å; L236-F264 HydrophobicContact CD2-CD2 3.93Å; L236-F264 HydrophobicContact CD2-CG 4.25Å; F264-N266 PolarHBondContact O-N 3.26Å; F264-M267 HydrophobicContact CB-CB 4.36Å; F264-M267 HydrophobicContact CB-CE 3.86Å; F264-M267 HydrophobicContact CD1-CE 4.11Å; F264-M267 HydrophobicContact CD1-SD 4.34Å; F264-M267 HydrophobicContact CG-CE 4.02Å; F264-M267 PolarHBondContact O-N 2.55Å; F264-R268 HydrophobicContact CB-CG 4.42Å; F264-R268 WeakPolarHBondContact O-CB 3.47Å; F264-R268 VanDerWaalsContact O-CG 3.3Å; F264-R268 WeakPolarHBondContact O-CG 3.44Å; F264-R268 PolarHBondContact O-N 2.89Å; F264-S320 WeakPolarHBondContact CA-OG 3.46Å; F264-S320 PolarHBondContact N-OG 3.08Å; F264-S320 VanDerWaalsContact N-OG 3.14Å
265V91.7Very high93.6Very high0 Ų016.2 Ų16.20%08%0.083CC..Hα-helixtrans-59.2-47.1-168.5176.50000111.6V259 G261 S263 C269 A286 I319 S320V259-V265 HydrophobicContact CG1-CG1 4.47Å; G261-V265 WeakPolarHBondContact O-CG2 3.08Å; S263-V265 PolarHBondContact O-N 2.7Å; V265-C269 PolarHBondContact O-N 3.48Å; V265-C269 VanDerWaalsContact O-N 3.13Å; V265-A286 HydrophobicContact CG1-CB 3.68Å; V265-I319 HydrophobicContact CB-CB 4.25Å; V265-I319 HydrophobicContact CB-CG2 4.29Å; V265-I319 HydrophobicContact CG1-CB 4.43Å; V265-I319 HydrophobicContact CG1-CD1 3.91Å; V265-I319 HydrophobicContact CG1-CG2 4.34Å; V265-I319 HydrophobicContact CG2-CG2 4.35Å; V265-S320 PolarHBondContact N-OG 3.46Å
266N94.5Very high93.6Very high1 Ų116.3 Ų16.31%0.0058%0.084CC..Hα-helixtrans-65.2-45.8178.9-64.166.8000112.2F264 C269 S270 G317 N318 I319 I424 L459F264-N266 PolarHBondContact O-N 3.26Å; N266-C269 PolarHBondContact O-N 3.4Å; N266-S270 WeakPolarHBondContact O-CB 3.48Å; N266-S270 PolarHBondContact O-N 2.99Å; N266-G317 PolarHBondContact ND2-O 3.1Å; N266-N318 PolarHBondContact OD1-OD1 2.61Å; N266-I319 WeakPolarHBondContact OD1-CB 3.38Å; N266-I319 VanDerWaalsContact OD1-CG1 3.29Å; N266-I319 WeakPolarHBondContact OD1-CG1 3.43Å; N266-I319 PolarHBondContact OD1-N 2.68Å; N266-I424 HydrophobicContact CB-CB 4.26Å; N266-I424 HydrophobicContact CB-CG2 4.34Å; N266-I424 WeakPolarHBondContact CB-O 3.28Å; N266-I424 PolarHBondContact ND2-O 3.22Å; N266-I424 WeakPolarHBondContact O-CB 3.36Å; N266-L459 HydrophobicContact CB-CD2 3.45Å; N266-L459 VanDerWaalsContact CB-CD2 3.45Å
267M92.9Very high93.6Very high6 Ų619 Ų193%0.0311%0.106CC..Hα-helixtrans-63.1-44.7179.8-176.8-172.683.300111.2V233 L236 F264 C269 S270 L271 T466V233-M267 HydrophobicContact CG1-CE 4.22Å; L236-M267 HydrophobicContact CD2-CE 3.86Å; L236-M267 HydrophobicContact CG-CE 4.46Å; F264-M267 HydrophobicContact CB-CB 4.36Å; F264-M267 HydrophobicContact CB-CE 3.86Å; F264-M267 HydrophobicContact CD1-CE 4.11Å; F264-M267 HydrophobicContact CD1-SD 4.34Å; F264-M267 HydrophobicContact CG-CE 4.02Å; F264-M267 PolarHBondContact O-N 2.55Å; M267-C269 PolarHBondContact O-N 2.79Å; M267-S270 WeakPolarHBondContact O-CB 3.46Å; M267-S270 PolarHBondContact O-N 2.61Å; M267-L271 HydrophobicContact CG-CD1 4.3Å; M267-L271 WeakPolarHBondContact O-CG 3.41Å; M267-L271 PolarHBondContact O-N 2.86Å; M267-T466 HydrophobicContact CE-CG2 4.44Å; M267-T466 HydrophobicContact SD-CG2 3.87Å
268R94.3Very high93.5Very high3 Ų321.9 Ų21.91%0.01113%0.126CC..Hα-helixtrans-55.4-50.7175.3-78.2-171.3-65.7146.52.8111.6D215 L236 Y240 V259 S260 S263 F264 S270 L271 L272D215-R268 PolarHBondContact O-NH1 3.38Å; L236-R268 HydrophobicContact CD1-CG 3.86Å; L236-R268 HydrophobicContact CD2-CG 4.25Å; L236-R268 HydrophobicContact CG-CG 4.38Å; Y240-R268 HydrophobicContact CD1-CB 3.63Å; Y240-R268 HydrophobicContact CD1-CG 4Å; Y240-R268 WeakPolarHBondContact CD1-O 3.31Å; Y240-R268 HydrophobicContact CD2-CG 4.24Å; Y240-R268 HydrophobicContact CE1-CB 3.52Å; Y240-R268 HydrophobicContact CE1-CG 3.87Å; Y240-R268 HydrophobicContact CE2-CG 4.13Å; Y240-R268 HydrophobicContact CG-CB 4.27Å; Y240-R268 HydrophobicContact CG-CG 4.19Å; Y240-R268 VanDerWaalsContact CZ-CD 3.49Å; Y240-R268 PolarHBondContact OH-NH1 3.29Å; V259-R268 HydrophobicContact CG1-CB 3.92Å; S260-R268 PolarHBondContact O-NH1 2.87Å; S260-R268 PolarHBondContact O-NH2 3.18Å; S263-R268 PolarHBondContact O-NE 3.35Å; S263-R268 PolarHBondContact O-NH2 2.94Å; F264-R268 HydrophobicContact CB-CG 4.42Å; F264-R268 WeakPolarHBondContact O-CB 3.47Å; F264-R268 VanDerWaalsContact O-CG 3.3Å; F264-R268 WeakPolarHBondContact O-CG 3.44Å; F264-R268 PolarHBondContact O-N 2.89Å; R268-S270 VanDerWaalsContact C-N 3.33Å; R268-S270 PolarHBondContact O-N 3.42Å; R268-L271 PolarHBondContact O-N 3.17Å; R268-L272 WeakPolarHBondContact O-CG 3.41Å; R268-L272 PolarHBondContact O-N 3.43Å
269C96.7Very high93.5Very high0 Ų022.3 Ų22.30%013%0.129CC..Hα-helixtrans-61.7-41.3176.6-171.40000112.2V259 V265 N266 M267 L271 L272 V273 A286 I424V259-C269 HydrophobicContact CB-CB 4.1Å; V259-C269 HydrophobicContact CG1-CB 4.49Å; V259-C269 HydrophobicContact CG2-CB 3.8Å; V265-C269 PolarHBondContact O-N 3.48Å; V265-C269 VanDerWaalsContact O-N 3.13Å; N266-C269 PolarHBondContact O-N 3.4Å; M267-C269 PolarHBondContact O-N 2.79Å; C269-L271 PolarHBondContact O-N 3.19Å; C269-L272 WeakPolarHBondContact O-CB 3.17Å; C269-L272 PolarHBondContact O-N 3.41Å; C269-V273 PolarHBondContact O-N 3.17Å; C269-V273 VanDerWaalsContact O-N 3.14Å; C269-A286 HydrophobicContact CB-CB 3.94Å; C269-I424 HydrophobicContact CB-CB 4.47Å; C269-I424 HydrophobicContact CB-CG1 3.93Å; C269-I424 HydrophobicContact CB-CG2 4.18Å
270S95.8Very high93.4Very high6 Ų626.4 Ų26.44%0.04215%0.151CC..Hα-helixtrans-61.9-41.3179-170.70000113.2N266 M267 R268 L272 V273 E274 D422 Q463N266-S270 WeakPolarHBondContact O-CB 3.48Å; N266-S270 PolarHBondContact O-N 2.99Å; M267-S270 WeakPolarHBondContact O-CB 3.46Å; M267-S270 PolarHBondContact O-N 2.61Å; R268-S270 VanDerWaalsContact C-N 3.33Å; R268-S270 PolarHBondContact O-N 3.42Å; S270-L272 VanDerWaalsContact C-N 3.27Å; S270-L272 PolarHBondContact O-N 3.05Å; S270-V273 PolarHBondContact O-N 3.33Å; S270-E274 WeakPolarHBondContact O-CB 3.19Å; S270-E274 PolarHBondContact O-N 2.94Å; S270-D422 PolarHBondContact OG-O 3.47Å; S270-Q463 PolarHBondContact OG-NE2 3.02Å
271L95.8Very high93.5Very high1 Ų127.7 Ų27.71%0.00516%0.16CC..Hα-helixtrans-65.8-32179.2-69.6170.3000112.2R241 M267 R268 C269 S275R241-L271 HydrophobicContact CG-CB 4.39Å; R241-L271 HydrophobicContact CG-CD2 4.05Å; M267-L271 HydrophobicContact CG-CD1 4.3Å; M267-L271 WeakPolarHBondContact O-CG 3.41Å; M267-L271 PolarHBondContact O-N 2.86Å; R268-L271 PolarHBondContact O-N 3.17Å; C269-L271 PolarHBondContact O-N 3.19Å; L271-S275 VanDerWaalsContact O-CB 3.26Å; L271-S275 WeakPolarHBondContact O-CB 3.4Å; L271-S275 PolarHBondContact O-N 3.1Å; L271-S275 VanDerWaalsContact O-N 3.12Å; L271-S275 PolarHBondContact O-OG 2.85Å
272L97.6Very high93.8Very high0 Ų030.9 Ų30.90%017%0.172CC..Hα-helixtrans-66.1-49.7173.2-62.7167.7000110.6L213 Y240 I247 V257 V259 R268 C269 S270 E274 S275 A276 F284L213-L272 HydrophobicContact CD1-CD1 3.81Å; L213-L272 HydrophobicContact CD2-CD1 4.01Å; L213-L272 HydrophobicContact CD2-CD2 4.13Å; Y240-L272 HydrophobicContact CD1-CD1 4.03Å; Y240-L272 HydrophobicContact CD1-CD2 3.98Å; Y240-L272 HydrophobicContact CD1-CG 3.86Å; Y240-L272 HydrophobicContact CE1-CD1 4.2Å; Y240-L272 WeakPolarHBondContact O-CD2 3.46Å; I247-L272 HydrophobicContact CD1-CD2 4.23Å; V257-L272 HydrophobicContact CG1-CD1 4.09Å; V259-L272 HydrophobicContact CG2-CD1 3.49Å; V259-L272 VanDerWaalsContact CG2-CD1 3.49Å; R268-L272 WeakPolarHBondContact O-CG 3.41Å; R268-L272 PolarHBondContact O-N 3.43Å; C269-L272 WeakPolarHBondContact O-CB 3.17Å; C269-L272 PolarHBondContact O-N 3.41Å; S270-L272 VanDerWaalsContact C-N 3.27Å; S270-L272 PolarHBondContact O-N 3.05Å; L272-E274 PolarHBondContact O-N 3.16Å; L272-S275 CarbonylContact O-C 3.41Å; L272-S275 PolarHBondContact O-N 3.01Å; L272-S275 VanDerWaalsContact O-N 3.15Å; L272-A276 VanDerWaalsContact O-CB 3.25Å; L272-A276 WeakPolarHBondContact O-CB 3.39Å; L272-A276 PolarHBondContact O-N 2.83Å; L272-F284 HydrophobicContact CB-CD1 3.91Å; L272-F284 HydrophobicContact CB-CE1 3.8Å
273V96.7Very high94.7Very high28 Ų2830.7 Ų30.717%0.1717%0.171CC..Hα-helixtrans-60.2-45.4179.2175.60000111C269 S270 S275 A276 F284 I424C269-V273 PolarHBondContact O-N 3.17Å; C269-V273 VanDerWaalsContact O-N 3.14Å; S270-V273 PolarHBondContact O-N 3.33Å; V273-S275 VanDerWaalsContact C-N 3.26Å; V273-S275 PolarHBondContact O-N 3.02Å; V273-A276 PolarHBondContact O-N 2.95Å; V273-F284 HydrophobicContact CG2-CB 3.55Å; V273-F284 HydrophobicContact CG2-CD1 4.05Å; V273-F284 HydrophobicContact CG2-CD2 3.77Å; V273-F284 HydrophobicContact CG2-CE2 4.47Å; V273-F284 HydrophobicContact CG2-CG 3.52Å; V273-I424 HydrophobicContact CG2-CD1 4.25Å
274E95.5Very high95.4Very high119 Ų11929.8 Ų29.856%0.55617%0.165SC*.Hα-helixtrans-58.6-38.6176.4-174.9-170.2167.400111.9S270 L272S270-E274 WeakPolarHBondContact O-CB 3.19Å; S270-E274 PolarHBondContact O-N 2.94Å; L272-E274 PolarHBondContact O-N 3.16Å
275S97.4Very high95.9Very high18 Ų1826.7 Ų26.713%0.12615%0.151CC..Hα-helixtrans-92.2-0.9-174.9-53.20000113.9R241 G244 R245 L271 L272 V273 P277R241-S275 WeakPolarHBondContact CA-OG 3.38Å; R241-S275 VanDerWaalsContact O-CB 3.32Å; R241-S275 WeakPolarHBondContact O-CB 3.49Å; G244-S275 CarbonylContact C-O 3.5Å; R245-S275 PolarHBondContact N-O 3.36Å; L271-S275 VanDerWaalsContact O-CB 3.26Å; L271-S275 WeakPolarHBondContact O-CB 3.4Å; L271-S275 PolarHBondContact O-N 3.1Å; L271-S275 VanDerWaalsContact O-N 3.12Å; L271-S275 PolarHBondContact O-OG 2.85Å; L272-S275 CarbonylContact O-C 3.41Å; L272-S275 PolarHBondContact O-N 3.01Å; L272-S275 VanDerWaalsContact O-N 3.15Å; V273-S275 VanDerWaalsContact C-N 3.26Å; V273-S275 PolarHBondContact O-N 3.02Å; S275-P277 VanDerWaalsContact C-CD 3.44Å
276A97.8Very high96.2Very high1 Ų126.7 Ų26.71%0.00815%0.151CC..  trans-126.961.4-179.700000113.1D248 L272 V273 S278 I279 F284D248-A276 HydrophobicContact CB-CB 3.88Å; D248-A276 WeakPolarHBondContact OD1-CA 3.31Å; L272-A276 VanDerWaalsContact O-CB 3.25Å; L272-A276 WeakPolarHBondContact O-CB 3.39Å; L272-A276 PolarHBondContact O-N 2.83Å; V273-A276 PolarHBondContact O-N 2.95Å; A276-S278 PolarHBondContact O-N 3.33Å; A276-I279 HydrophobicContact CB-CD1 4.39Å; A276-I279 PolarHBondContact O-N 3.4Å; A276-F284 HydrophobicContact CB-CZ 3.77Å
277P96.6Very high96.2Very high106 Ų10626.8 Ų26.869%0.68815%0.152SC*.THydrogen-bonded Turntrans-68.5-17.2-171.929.8-37.4000114.3S275 I279S275-P277 VanDerWaalsContact C-CD 3.44Å; P277-I279 VanDerWaalsContact C-N 3.34Å
278S97.5Very high96.3Very high61 Ų6126.6 Ų26.643%0.42715%0.151SC..THydrogen-bonded Turntrans-83.6-11.4178.878.80000113.5D248 K253 A276D248-S278 WeakPolarHBondContact OD1-CA 3.36Å; D248-S278 WeakPolarHBondContact OD1-CB 3.1Å; D248-S278 PolarHBondContact OD1-N 2.9Å; D248-S278 PolarHBondContact OD1-OG 3.05Å; D248-S278 PolarHBondContact OD2-OG 3.04Å; K253-S278 PolarHBondContact NZ-OG 3.25Å; A276-S278 PolarHBondContact O-N 3.33Å
279I97.7Very high96.2Very high9 Ų926.9 Ų26.95%0.04615%0.153CC..SBendtrans-102.3137.3179.5-60.4171.3000108.8I247 V255 A276 P277 S281 Q283 F284I247-I279 HydrophobicContact CG2-CD1 3.58Å; V255-I279 HydrophobicContact CG1-CD1 3.75Å; V255-I279 HydrophobicContact CG1-CG2 4.17Å; A276-I279 HydrophobicContact CB-CD1 4.39Å; A276-I279 PolarHBondContact O-N 3.4Å; P277-I279 VanDerWaalsContact C-N 3.34Å; I279-S281 PolarHBondContact O-N 3.09Å; I279-Q283 HydrophobicContact CG2-CB 3.91Å; I279-Q283 HydrophobicContact CG2-CG 3.79Å; I279-F284 HydrophobicContact CB-CE2 3.93Å; I279-F284 HydrophobicContact CB-CZ 4.23Å; I279-F284 HydrophobicContact CD1-CZ 4.45Å; I279-F284 HydrophobicContact CG2-CE2 3.56Å; I279-F284 HydrophobicContact CG2-CZ 4.04Å
280N95.5Very high95.9Very high86 Ų8627.4 Ų27.446%0.4616%0.156SC..  trans-61.4129.6177.9-171.5-38.4000110.4H282 Q283N280-H282 PolarHBondContact O-N 3.1Å; N280-H282 WeakPolarHBondContact OD1-CB 3.36Å; N280-H282 PolarHBondContact OD1-N 3.48Å; N280-H282 PolarHBondContact OD1-ND1 2.95Å; N280-Q283 HydrophobicContact CB-CG 4.3Å; N280-Q283 VanDerWaalsContact O-CB 3.25Å; N280-Q283 WeakPolarHBondContact O-CB 3.11Å; N280-Q283 VanDerWaalsContact O-CG 3.29Å; N280-Q283 WeakPolarHBondContact O-CG 3.37Å; N280-Q283 PolarHBondContact O-N 2.83Å
281S94.4Very high95.7Very high28 Ų2827.1 Ų27.120%0.19615%0.154CC..G310 helixtrans-58.2-19.2178.863.70000113.9I279 Q283 F284I279-S281 PolarHBondContact O-N 3.09Å; S281-Q283 PolarHBondContact O-N 2.86Å; S281-F284 PolarHBondContact O-N 3.45Å
282H93.8Very high95.6Very high75 Ų7527.9 Ų27.935%0.34716%0.159SC..G310 helixtrans-68.3-15173-68.566.8000113.8N280 F284 W436N280-H282 PolarHBondContact O-N 3.1Å; N280-H282 WeakPolarHBondContact OD1-CB 3.36Å; N280-H282 PolarHBondContact OD1-N 3.48Å; N280-H282 PolarHBondContact OD1-ND1 2.95Å; H282-F284 VanDerWaalsContact C-N 3.29Å; H282-W436 HydrophobicContact CB-CZ2 4.01Å; H282-W436 AromaticContact CD2-CE2 3.77Å; H282-W436 AromaticContact CD2-CH2 3.64Å; H282-W436 AromaticContact CD2-CZ2 3.56Å; H282-W436 AromaticContact CG-CZ2 3.81Å; H282-W436 AromaticContact NE2-CH2 3.88Å; H282-W436 PolarHBondContact O-NE1 3.33Å
283Q96.4Very high95.4Very high11 Ų1129.7 Ų29.75%0.05117%0.168CC..G310 helixtrans-77.8-17174.7-59.7-48.7-12.200113.4E254 V255 V257 I279 N280 S281E254-Q283 PolarHBondContact OE2-NE2 2.8Å; V255-Q283 WeakPolarHBondContact O-CB 3.5Å; V255-Q283 WeakPolarHBondContact O-CG 3.3Å; V257-Q283 PolarHBondContact N-O 2.87Å; I279-Q283 HydrophobicContact CG2-CB 3.91Å; I279-Q283 HydrophobicContact CG2-CG 3.79Å; N280-Q283 HydrophobicContact CB-CG 4.3Å; N280-Q283 VanDerWaalsContact O-CB 3.25Å; N280-Q283 WeakPolarHBondContact O-CB 3.11Å; N280-Q283 VanDerWaalsContact O-CG 3.29Å; N280-Q283 WeakPolarHBondContact O-CG 3.37Å; N280-Q283 PolarHBondContact O-N 2.83Å; S281-Q283 PolarHBondContact O-N 2.86Å
284F97.6Very high95.3Very high1 Ų128.9 Ų28.90%0.00416%0.162CC..EExtended strand (participates in β ladder)trans-100.9125.5-176.8-61.1-97.8000110.3V257 L272 V273 A276 I279 S281 H282V257-F284 HydrophobicContact CB-CD1 3.54Å; V257-F284 HydrophobicContact CB-CE1 3.82Å; V257-F284 HydrophobicContact CB-CG 4.16Å; V257-F284 HydrophobicContact CG1-CD1 3.58Å; V257-F284 HydrophobicContact CG1-CE1 3.83Å; V257-F284 HydrophobicContact CG2-CD1 3.95Å; V257-F284 HydrophobicContact CG2-CE1 3.69Å; V257-F284 HydrophobicContact CG2-CZ 4.19Å; V257-F284 WeakPolarHBondContact O-CA 3.37Å; L272-F284 HydrophobicContact CB-CD1 3.91Å; L272-F284 HydrophobicContact CB-CE1 3.8Å; V273-F284 HydrophobicContact CG2-CB 3.55Å; V273-F284 HydrophobicContact CG2-CD1 4.05Å; V273-F284 HydrophobicContact CG2-CD2 3.77Å; V273-F284 HydrophobicContact CG2-CE2 4.47Å; V273-F284 HydrophobicContact CG2-CG 3.52Å; A276-F284 HydrophobicContact CB-CZ 3.77Å; I279-F284 HydrophobicContact CB-CE2 3.93Å; I279-F284 HydrophobicContact CB-CZ 4.23Å; I279-F284 HydrophobicContact CD1-CZ 4.45Å; I279-F284 HydrophobicContact CG2-CE2 3.56Å; I279-F284 HydrophobicContact CG2-CZ 4.04Å; S281-F284 PolarHBondContact O-N 3.45Å; H282-F284 VanDerWaalsContact C-N 3.29Å
285V97.6Very high95.2Very high0 Ų023.2 Ų23.20%014%0.136CC..EExtended strand (participates in β ladder)trans-137.8142178.3-650000111.1V257 I258 V259 V393 W397 V409 G410V257-V285 PolarHBondContact O-N 3.36Å; I258-V285 WeakPolarHBondContact CA-O 3.37Å; I258-V285 HydrophobicContact CG1-CG2 4.05Å; V259-V285 PolarHBondContact N-O 3.39Å; V285-V393 HydrophobicContact CG2-CG1 3.69Å; V285-W397 HydrophobicContact CB-CZ2 4.45Å; V285-W397 HydrophobicContact CG1-CZ2 4.03Å; V285-W397 HydrophobicContact CG2-CH2 3.35Å; V285-W397 HydrophobicContact CG2-CZ2 3.56Å; V285-W397 HydrophobicContact CG2-CZ3 4.33Å; V285-V409 HydrophobicContact CB-CG1 3.64Å; V285-V409 HydrophobicContact CG1-CG1 4.02Å; V285-G410 WeakPolarHBondContact CA-O 3.38Å
286A97.1Very high95.2Very high0 Ų024.6 Ų24.60%014%0.139CC..EExtended strand (participates in β ladder)trans-108.9130.1177.100000110.4V259 V265 C269 A288 I319 V409 G410 I424V259-A286 HydrophobicContact CB-CB 4.5Å; V259-A286 WeakPolarHBondContact O-CA 3.11Å; V265-A286 HydrophobicContact CG1-CB 3.68Å; C269-A286 HydrophobicContact CB-CB 3.94Å; A286-A288 PolarHBondContact O-N 3.26Å; A286-I319 HydrophobicContact CB-CD1 3.92Å; A286-V409 WeakPolarHBondContact O-CG1 3.28Å; A286-G410 PolarHBondContact N-O 3.46Å; A286-G410 PolarHBondContact O-N 2.83Å; A286-I424 HydrophobicContact CB-CG2 4.13Å
287I95.9Very high95.1Very high4 Ų426.1 Ų26.12%0.02115%0.151CC..EExtended strand (participates in β ladder)trans-76.6122-173.6-56.2-56.8000110.4I258 V259 S289 I390 V393I258-I287 HydrophobicContact CG2-CD1 3.54Å; I258-I287 HydrophobicContact CG2-CG1 3.46Å; I258-I287 VanDerWaalsContact CG2-CG1 3.46Å; V259-I287 PolarHBondContact O-N 3.31Å; I287-S289 WeakPolarHBondContact CG2-OG 3.28Å; I287-I390 HydrophobicContact CG1-CG1 4.15Å; I287-V393 HydrophobicContact CD1-CB 4.06Å; I287-V393 HydrophobicContact CD1-CG2 3.47Å; I287-V393 VanDerWaalsContact CD1-CG2 3.47Å
288A94.5Very high95Very high1 Ų121.8 Ų21.81%0.00812%0.122CC..  trans-109.10.1174.900000113.3A286 Q290 L291 V292 I319A286-A288 PolarHBondContact O-N 3.26Å; A288-Q290 VanDerWaalsContact C-N 3.26Å; A288-Q290 PolarHBondContact O-N 2.97Å; A288-L291 PolarHBondContact O-N 3.37Å; A288-V292 WeakPolarHBondContact O-CG2 3.43Å; A288-V292 PolarHBondContact O-N 3.21Å; A288-V292 VanDerWaalsContact O-N 3.11Å; A288-I319 HydrophobicContact CB-CD1 3.86Å; A288-I319 HydrophobicContact CB-CG1 3.82Å; A288-I319 HydrophobicContact CB-CG2 4.35Å
289S92Very high95Very high9 Ų918.9 Ų18.96%0.06310%0.102CC..Hα-helixtrans-61.6-30.9-172.162.30000113.2I287 V292 N293 G389I287-S289 WeakPolarHBondContact CG2-OG 3.28Å; S289-V292 PolarHBondContact O-N 3.27Å; S289-N293 WeakPolarHBondContact O-CB 3.34Å; S289-N293 PolarHBondContact O-N 3.45Å; S289-N293 PolarHBondContact O-ND2 3.36Å; S289-N293 VanDerWaalsContact O-ND2 3.12Å; S289-G389 WeakPolarHBondContact OG-CA 3.31Å
290Q90.4Very high95Very high11 Ų1118.5 Ų18.55%0.05110%0.1CC..Hα-helixtrans-60.5-52.1177-58.892.1-32.900110.4S260 A288 V292 N293 E294 A382 A386S260-Q290 PolarHBondContact OG-NE2 2.93Å; S260-Q290 VanDerWaalsContact OG-NE2 3.13Å; A288-Q290 VanDerWaalsContact C-N 3.26Å; A288-Q290 PolarHBondContact O-N 2.97Å; Q290-V292 VanDerWaalsContact C-N 3.35Å; Q290-V292 PolarHBondContact O-N 3.48Å; Q290-N293 PolarHBondContact O-N 3.12Å; Q290-N293 VanDerWaalsContact O-N 3.11Å; Q290-E294 WeakPolarHBondContact O-CG 3.36Å; Q290-E294 PolarHBondContact O-N 2.98Å; Q290-A382 HydrophobicContact CG-CB 4.3Å; Q290-A386 HydrophobicContact CG-CB 4.17Å; Q290-A386 VanDerWaalsContact NE2-CA 3.31Å
291L91.9Very high95Very high1 Ų120.8 Ų20.81%0.00511%0.113CC..Hα-helixtrans-62-41.9178179.353.8000111.5A288 N293 E294 V295 V315 F323 V367A288-L291 PolarHBondContact O-N 3.37Å; L291-N293 VanDerWaalsContact C-N 3.29Å; L291-N293 PolarHBondContact O-N 3.1Å; L291-E294 PolarHBondContact O-N 3.38Å; L291-V295 HydrophobicContact CD1-CG2 4.47Å; L291-V295 VanDerWaalsContact O-CG2 3.29Å; L291-V295 WeakPolarHBondContact O-CG2 3.26Å; L291-V295 PolarHBondContact O-N 3.37Å; L291-V315 HydrophobicContact CD2-CG1 3.55Å; L291-V315 HydrophobicContact CG-CG1 3.95Å; L291-V315 HydrophobicContact CG-CG2 4.49Å; L291-F323 HydrophobicContact CD1-CD1 4.3Å; L291-F323 HydrophobicContact CD1-CE1 3.92Å; L291-F323 HydrophobicContact CD1-CE2 4.18Å; L291-F323 HydrophobicContact CD1-CZ 3.86Å; L291-F323 HydrophobicContact CD2-CB 4.14Å; L291-F323 HydrophobicContact CD2-CD1 3.68Å; L291-F323 HydrophobicContact CD2-CD2 4.28Å; L291-F323 HydrophobicContact CD2-CE1 4.14Å; L291-F323 HydrophobicContact CD2-CG 3.77Å; L291-V367 HydrophobicContact CD1-CG1 4.18Å
292V94.6Very high95Very high17 Ų1722.9 Ų22.910%0.10312%0.118CC..Hα-helixtrans-60.7-40.7175176.50000111.2A288 S289 Q290 V295 R296 V313 V315A288-V292 WeakPolarHBondContact O-CG2 3.43Å; A288-V292 PolarHBondContact O-N 3.21Å; A288-V292 VanDerWaalsContact O-N 3.11Å; S289-V292 PolarHBondContact O-N 3.27Å; Q290-V292 VanDerWaalsContact C-N 3.35Å; Q290-V292 PolarHBondContact O-N 3.48Å; V292-V295 PolarHBondContact O-N 2.78Å; V292-R296 HydrophobicContact CG1-CG 4.49Å; V292-R296 VanDerWaalsContact O-CG 3.23Å; V292-R296 WeakPolarHBondContact O-CG 3.32Å; V292-R296 PolarHBondContact O-N 2.82Å; V292-V313 HydrophobicContact CG1-CB 4.36Å; V292-V313 HydrophobicContact CG1-CG1 4.49Å; V292-V315 HydrophobicContact CG2-CB 4.02Å; V292-V315 HydrophobicContact CG2-CG2 3.78Å
293N93.3Very high95.1Very high38 Ų3819.7 Ų19.720%0.20310%0.104CC..Hα-helixtrans-70.5-35.8179.3-70.4-27.2000112.4S289 Q290 L291 R296 A297 S385S289-N293 WeakPolarHBondContact O-CB 3.34Å; S289-N293 PolarHBondContact O-N 3.45Å; S289-N293 PolarHBondContact O-ND2 3.36Å; S289-N293 VanDerWaalsContact O-ND2 3.12Å; Q290-N293 PolarHBondContact O-N 3.12Å; Q290-N293 VanDerWaalsContact O-N 3.11Å; L291-N293 VanDerWaalsContact C-N 3.29Å; L291-N293 PolarHBondContact O-N 3.1Å; N293-R296 PolarHBondContact O-N 3.18Å; N293-R296 PolarHBondContact OD1-NH1 3.12Å; N293-A297 WeakPolarHBondContact O-CB 3.35Å; N293-A297 PolarHBondContact O-N 3.04Å; N293-S385 PolarHBondContact ND2-OG 3.18Å; N293-S385 VanDerWaalsContact ND2-OG 3.11Å
294E92.8Very high95Very high10 Ų1024.3 Ų24.35%0.04714%0.136CC..Hα-helixtrans-59.9-47.2171.3-70.1160.1-169.900110.8Q290 L291 R296 A297 V298 Q370 R371 L374Q290-E294 WeakPolarHBondContact O-CG 3.36Å; Q290-E294 PolarHBondContact O-N 2.98Å; L291-E294 PolarHBondContact O-N 3.38Å; E294-R296 VanDerWaalsContact C-N 3.34Å; E294-R296 PolarHBondContact O-N 3.28Å; E294-A297 PolarHBondContact O-N 3.2Å; E294-V298 WeakPolarHBondContact O-CG2 3.31Å; E294-V298 PolarHBondContact O-N 2.67Å; E294-V298 VanDerWaalsContact O-N 3.09Å; E294-Q370 HydrophobicContact CB-CG 4.42Å; E294-Q370 HydrophobicContact CG-CG 4.44Å; E294-R371 WeakPolarHBondContact OE2-CB 3.45Å; E294-R371 IonicContact OE2-NH1 3.99Å; E294-L374 HydrophobicContact CG-CD1 4.08Å
295V95.3Very high94.9Very high0 Ų025.2 Ų25.20%014%0.142CC..Hα-helixtrans-59.2-45.2175.5175.90000111.3L291 V292 A297 V298 L299 V313 V315 I325 F363 V367L291-V295 HydrophobicContact CD1-CG2 4.47Å; L291-V295 VanDerWaalsContact O-CG2 3.29Å; L291-V295 WeakPolarHBondContact O-CG2 3.26Å; L291-V295 PolarHBondContact O-N 3.37Å; V292-V295 PolarHBondContact O-N 2.78Å; V295-A297 VanDerWaalsContact C-N 3.33Å; V295-A297 PolarHBondContact O-N 3.41Å; V295-V298 PolarHBondContact O-N 2.63Å; V295-L299 HydrophobicContact CG1-CD1 4.06Å; V295-L299 WeakPolarHBondContact O-CG 3.43Å; V295-L299 PolarHBondContact O-N 3.32Å; V295-V313 HydrophobicContact CB-CG1 4.27Å; V295-V313 HydrophobicContact CG1-CG1 3.64Å; V295-V315 HydrophobicContact CG2-CG2 4.17Å; V295-I325 HydrophobicContact CG1-CD1 4.13Å; V295-I325 HydrophobicContact CG1-CG1 4.48Å; V295-I325 HydrophobicContact CG1-CG2 3.72Å; V295-I325 HydrophobicContact CG2-CD1 3.69Å; V295-I325 HydrophobicContact CG2-CG1 3.98Å; V295-F363 HydrophobicContact CG1-CE2 4.45Å; V295-F363 HydrophobicContact CG1-CZ 3.77Å; V295-V367 HydrophobicContact CG2-CG1 3.77Å; V295-V367 HydrophobicContact CG2-CG2 4.16Å
296R96Very high94.8Very high48 Ų4831 Ų3118%0.18117%0.17CC..Hα-helixtrans-62.6-38.7178-72.4167.364.9-153.4-5.8112.2V292 N293 E294 L299 A300 P307 V310 V313V292-R296 HydrophobicContact CG1-CG 4.49Å; V292-R296 VanDerWaalsContact O-CG 3.23Å; V292-R296 WeakPolarHBondContact O-CG 3.32Å; V292-R296 PolarHBondContact O-N 2.82Å; N293-R296 PolarHBondContact O-N 3.18Å; N293-R296 PolarHBondContact OD1-NH1 3.12Å; E294-R296 VanDerWaalsContact C-N 3.34Å; E294-R296 PolarHBondContact O-N 3.28Å; R296-L299 PolarHBondContact O-N 3.07Å; R296-A300 WeakPolarHBondContact O-CB 3.48Å; R296-A300 PolarHBondContact O-N 3.48Å; R296-P307 PolarHBondContact NH2-O 3.4Å; R296-V310 HydrophobicContact CB-CB 4.4Å; R296-V310 HydrophobicContact CB-CG1 4.46Å; R296-V310 HydrophobicContact CG-CB 4.39Å; R296-V310 HydrophobicContact CG-CG1 4.12Å; R296-V310 PolarHBondContact NE-O 2.92Å; R296-V310 PolarHBondContact NH2-O 2.85Å; R296-V313 HydrophobicContact CG-CB 4.28Å; R296-V313 HydrophobicContact CG-CG2 3.9Å
297A95.3Very high94.7Very high33 Ų3334 Ų3427%0.27319%0.19SC..Hα-helixtrans-64.5-46.5177.900000111.5N293 E294 V295 L299 A300 D301N293-A297 WeakPolarHBondContact O-CB 3.35Å; N293-A297 PolarHBondContact O-N 3.04Å; E294-A297 PolarHBondContact O-N 3.2Å; V295-A297 VanDerWaalsContact C-N 3.33Å; V295-A297 PolarHBondContact O-N 3.41Å; A297-L299 PolarHBondContact O-N 3.11Å; A297-A300 PolarHBondContact O-N 3.48Å; A297-D301 PolarHBondContact O-N 2.87Å
298V96.4Very high94.6Very high14 Ų1436.7 Ų36.79%0.08521%0.209CC..Hα-helixtrans-63.2-41.3177.5175.70000111.7E294 V295 K302 W358 F363 L366 V367 Q370E294-V298 WeakPolarHBondContact O-CG2 3.31Å; E294-V298 PolarHBondContact O-N 2.67Å; E294-V298 VanDerWaalsContact O-N 3.09Å; V295-V298 PolarHBondContact O-N 2.63Å; V298-K302 PolarHBondContact O-N 2.88Å; V298-K302 VanDerWaalsContact O-N 3.17Å; V298-W358 HydrophobicContact CG1-CH2 4.14Å; V298-W358 HydrophobicContact CG1-CZ2 4.16Å; V298-F363 HydrophobicContact CB-CE2 4.36Å; V298-F363 HydrophobicContact CG1-CD2 3.82Å; V298-F363 HydrophobicContact CG1-CE2 3.94Å; V298-L366 HydrophobicContact CG1-CB 3.88Å; V298-L366 HydrophobicContact CG1-CD1 4.47Å; V298-V367 HydrophobicContact CB-CG2 4.11Å; V298-V367 HydrophobicContact CG1-CG2 4.24Å; V298-V367 HydrophobicContact CG2-CG2 4.02Å; V298-Q370 HydrophobicContact CG2-CB 4.16Å; V298-Q370 HydrophobicContact CG2-CG 4.44Å
299L96.8Very high94.7Very high0 Ų037.6 Ų37.60%021%0.214CC..Hα-helixtrans-64.5-43.2174.9-73.4171.7000112.3V295 R296 A297 D301 K302 L303 V310 V313 L327 V349 L353 W358 F363V295-L299 HydrophobicContact CG1-CD1 4.06Å; V295-L299 WeakPolarHBondContact O-CG 3.43Å; V295-L299 PolarHBondContact O-N 3.32Å; R296-L299 PolarHBondContact O-N 3.07Å; A297-L299 PolarHBondContact O-N 3.11Å; L299-D301 VanDerWaalsContact C-N 3.34Å; L299-K302 PolarHBondContact O-N 3.29Å; L299-L303 WeakPolarHBondContact O-CB 3.31Å; L299-L303 VanDerWaalsContact O-CG 3.26Å; L299-L303 WeakPolarHBondContact O-CG 3.25Å; L299-L303 PolarHBondContact O-N 2.82Å; L299-V310 HydrophobicContact CB-CG1 4.29Å; L299-V310 HydrophobicContact CB-CG2 4.38Å; L299-V310 HydrophobicContact CD1-CG1 4Å; L299-V313 HydrophobicContact CD1-CG2 3.98Å; L299-L327 HydrophobicContact CD1-CD2 3.69Å; L299-L327 HydrophobicContact CD2-CD1 4.16Å; L299-V349 HydrophobicContact CD2-CG1 4.25Å; L299-L353 HydrophobicContact CD2-CD2 4.46Å; L299-W358 HydrophobicContact CD2-CZ3 4.45Å; L299-F363 HydrophobicContact CD1-CZ 4.2Å; L299-F363 HydrophobicContact CD2-CD2 4.39Å; L299-F363 HydrophobicContact CD2-CE1 4.47Å; L299-F363 HydrophobicContact CD2-CE2 3.6Å; L299-F363 HydrophobicContact CD2-CZ 3.62Å; L299-F363 HydrophobicContact CG-CE2 3.72Å; L299-F363 HydrophobicContact CG-CZ 3.76Å
300A96.8Very high94.9Very high1 Ų137.2 Ų37.21%0.00821%0.211CC..Hα-helixtrans-64.3-40.7-178.600000111.8R296 A297 L303 C304 V305 P307 V310R296-A300 WeakPolarHBondContact O-CB 3.48Å; R296-A300 PolarHBondContact O-N 3.48Å; A297-A300 PolarHBondContact O-N 3.48Å; A300-L303 CarbonylContact O-C 3.43Å; A300-L303 PolarHBondContact O-N 2.87Å; A300-C304 WeakPolarHBondContact O-CA 3.39Å; A300-C304 PolarHBondContact O-N 2.92Å; A300-V305 HydrophobicContact CB-CG2 4.07Å; A300-V305 PolarHBondContact O-N 3.41Å; A300-P307 HydrophobicContact CB-CB 4.31Å; A300-P307 HydrophobicContact CB-CG 4.12Å; A300-V310 HydrophobicContact CB-CG2 3.97Å
301D95.8Very high95.1Very high135 Ų13540 Ų4072%0.72222%0.223SC*.Hα-helixtrans-60.8-49.8174.2-172.664.8000111.4A297 L299 L303 C304A297-D301 PolarHBondContact O-N 2.87Å; L299-D301 VanDerWaalsContact C-N 3.34Å; D301-L303 PolarHBondContact O-N 2.98Å; D301-C304 PolarHBondContact O-N 2.78Å; D301-C304 VanDerWaalsContact O-N 3.15Å
302K95.7Very high95.3Very high71 Ų7141.5 Ų41.531%0.30923%0.231SC..Hα-helixtrans-60.9-31.7176.9-178.465.4175.8-163.40113.2V298 L299 L353 D355 W358V298-K302 PolarHBondContact O-N 2.88Å; V298-K302 VanDerWaalsContact O-N 3.17Å; L299-K302 PolarHBondContact O-N 3.29Å; K302-L353 HydrophobicContact CG-CD1 3.56Å; K302-D355 IonicContact NZ-OD2 3.69Å; K302-D355 PolarHBondContact NZ-OD2 3.35Å; K302-W358 HydrophobicContact CB-CH2 3.7Å; K302-W358 HydrophobicContact CB-CZ2 3.75Å; K302-W358 HydrophobicContact CB-CZ3 4.33Å; K302-W358 HydrophobicContact CD-CD2 3.91Å; K302-W358 HydrophobicContact CD-CE3 4.39Å; K302-W358 HydrophobicContact CD-CG 4.29Å; K302-W358 HydrophobicContact CD-CH2 4.38Å; K302-W358 HydrophobicContact CD-CZ2 3.93Å; K302-W358 HydrophobicContact CG-CD2 4.09Å; K302-W358 HydrophobicContact CG-CE3 4.08Å; K302-W358 HydrophobicContact CG-CH2 3.72Å; K302-W358 HydrophobicContact CG-CZ2 3.75Å; K302-W358 HydrophobicContact CG-CZ3 3.91Å; K302-W358 VanDerWaalsContact NZ-CD1 3.26Å; K302-W358 VanDerWaalsContact NZ-CG 3.33Å
303L94.6Very high95.3Very high8 Ų841 Ų414%0.04223%0.227CC..Hα-helixtrans-92.4-5-178.9-68.9174.1000113.7L299 A300 D301 V305 V332 Y335 V349 V352 L353L299-L303 WeakPolarHBondContact O-CB 3.31Å; L299-L303 VanDerWaalsContact O-CG 3.26Å; L299-L303 WeakPolarHBondContact O-CG 3.25Å; L299-L303 PolarHBondContact O-N 2.82Å; A300-L303 CarbonylContact O-C 3.43Å; A300-L303 PolarHBondContact O-N 2.87Å; D301-L303 PolarHBondContact O-N 2.98Å; L303-V305 VanDerWaalsContact C-N 3.33Å; L303-V305 HydrophobicContact CB-CG1 4.44Å; L303-V305 HydrophobicContact CB-CG2 3.93Å; L303-V305 PolarHBondContact O-N 3.02Å; L303-V332 HydrophobicContact CD1-CB 4.28Å; L303-V332 HydrophobicContact CD1-CG2 4.14Å; L303-Y335 HydrophobicContact CB-CD2 4.42Å; L303-Y335 HydrophobicContact CB-CE2 4.36Å; L303-Y335 HydrophobicContact CD2-CD2 4.43Å; L303-Y335 HydrophobicContact CD2-CE2 3.99Å; L303-V349 HydrophobicContact CD1-CG1 4.49Å; L303-V352 HydrophobicContact CD2-CG1 3.83Å; L303-L353 HydrophobicContact CD2-CB 4.25Å; L303-L353 HydrophobicContact CD2-CD1 3.87Å; L303-L353 HydrophobicContact CG-CD1 4.48Å
304C94.4Very high95.5Very high108 Ų10839.1 Ų39.173%0.7322%0.218SC*.THydrogen-bonded Turntrans53.344.9-173.1-57.10000113.4A300 D301A300-C304 WeakPolarHBondContact O-CA 3.39Å; A300-C304 PolarHBondContact O-N 2.92Å; D301-C304 PolarHBondContact O-N 2.78Å; D301-C304 VanDerWaalsContact O-N 3.15Å
305V95.3Very high95.6Very high20 Ų2038.7 Ų38.712%0.12122%0.216CC..SBendtrans-125173.8177.1-62.30000110.9A300 L303 D309 V310 V332 Y335A300-V305 HydrophobicContact CB-CG2 4.07Å; A300-V305 PolarHBondContact O-N 3.41Å; L303-V305 VanDerWaalsContact C-N 3.33Å; L303-V305 HydrophobicContact CB-CG1 4.44Å; L303-V305 HydrophobicContact CB-CG2 3.93Å; L303-V305 PolarHBondContact O-N 3.02Å; V305-D309 HydrophobicContact CB-CB 4.28Å; V305-D309 HydrophobicContact CG2-CB 4.37Å; V305-V310 HydrophobicContact CG2-CG2 4.05Å; V305-V332 HydrophobicContact CB-CG2 4.45Å; V305-V332 HydrophobicContact CG1-CG2 4.11Å; V305-V332 HydrophobicContact CG2-CG2 3.89Å; V305-Y335 HydrophobicContact CG1-CD2 4.1Å
306M95.7Very high95.6Very high121 Ų12138.8 Ų38.860%0.59622%0.216SC*.  trans-74.7146.4174.3-58.7-68-74.300110.6S308 D309M306-S308 WeakPolarHBondContact CB-OG 3.41Å; M306-S308 PolarHBondContact O-N 3.31Å; M306-S308 VanDerWaalsContact O-N 3.1Å; M306-D309 VanDerWaalsContact CB-OD2 3.3Å; M306-D309 WeakPolarHBondContact CB-OD2 3.41Å; M306-D309 PolarHBondContact N-OD2 2.86Å; M306-D309 VanDerWaalsContact N-OD2 3.17Å; M306-D309 VanDerWaalsContact O-CB 3.3Å; M306-D309 WeakPolarHBondContact O-CB 3.42Å; M306-D309 PolarHBondContact O-N 2.83Å
307P94.9Very high95.5Very high64 Ų6436.5 Ų36.542%0.41621%0.207SC..G310 helixtrans-57.1-27.7173.2-26.635.1000113.8R296 A300 D309 V310R296-P307 PolarHBondContact NH2-O 3.4Å; A300-P307 HydrophobicContact CB-CB 4.31Å; A300-P307 HydrophobicContact CB-CG 4.12Å; P307-D309 PolarHBondContact O-N 3.23Å; P307-V310 PolarHBondContact O-N 3.29Å
308S94.6Very high95.4Very high60 Ų6035.4 Ų35.442%0.4220%0.197SC..G310 helixtrans-66.3-24.8173.452.40000113.5M306 K311M306-S308 WeakPolarHBondContact CB-OG 3.41Å; M306-S308 PolarHBondContact O-N 3.31Å; M306-S308 VanDerWaalsContact O-N 3.1Å; S308-K311 WeakPolarHBondContact O-CE 3.47Å; S308-K311 PolarHBondContact O-NZ 3.34Å
309D95.7Very high95.2Very high21 Ų2134.9 Ų34.911%0.11219%0.194CC..G310 helixtrans-81.3-18.6-178.4-64-36.9000112.8V305 M306 P307 V332 F333 N334V305-D309 HydrophobicContact CB-CB 4.28Å; V305-D309 HydrophobicContact CG2-CB 4.37Å; M306-D309 VanDerWaalsContact CB-OD2 3.3Å; M306-D309 WeakPolarHBondContact CB-OD2 3.41Å; M306-D309 PolarHBondContact N-OD2 2.86Å; M306-D309 VanDerWaalsContact N-OD2 3.17Å; M306-D309 VanDerWaalsContact O-CB 3.3Å; M306-D309 WeakPolarHBondContact O-CB 3.42Å; M306-D309 PolarHBondContact O-N 2.83Å; P307-D309 PolarHBondContact O-N 3.23Å; D309-V332 WeakPolarHBondContact O-CA 3.38Å; D309-F333 HydrophobicContact CB-CB 4.23Å; D309-F333 WeakPolarHBondContact CB-O 3.25Å; D309-F333 WeakPolarHBondContact O-CD2 3.43Å; D309-F333 PolarHBondContact O-N 3.44Å; D309-N334 PolarHBondContact OD1-ND2 2.75Å
310V97Very high94.7Very high0 Ų036.7 Ų36.70%021%0.207CC..EExtended strand (participates in β ladder)trans-87.4118.5172.3-174.60000109R296 L299 A300 V305 P307 V313 K331R296-V310 HydrophobicContact CB-CB 4.4Å; R296-V310 HydrophobicContact CB-CG1 4.46Å; R296-V310 HydrophobicContact CG-CB 4.39Å; R296-V310 HydrophobicContact CG-CG1 4.12Å; R296-V310 PolarHBondContact NE-O 2.92Å; R296-V310 PolarHBondContact NH2-O 2.85Å; L299-V310 HydrophobicContact CB-CG1 4.29Å; L299-V310 HydrophobicContact CB-CG2 4.38Å; L299-V310 HydrophobicContact CD1-CG1 4Å; A300-V310 HydrophobicContact CB-CG2 3.97Å; V305-V310 HydrophobicContact CG2-CG2 4.05Å; P307-V310 PolarHBondContact O-N 3.29Å; V310-V313 HydrophobicContact CG1-CG2 3.83Å; V310-K331 CarbonylContact C-O 3.31Å; V310-K331 WeakPolarHBondContact CA-O 3.41Å
311K95.1Very high94.3Very high70 Ų7037.7 Ų37.730%0.30422%0.217SC..EExtended strand (participates in β ladder)trans-125.4167.4-177.7-59.7-58.4-163.5-159.80111.2S308 V313 A330 K331 F333S308-K311 WeakPolarHBondContact O-CE 3.47Å; S308-K311 PolarHBondContact O-NZ 3.34Å; K311-V313 PolarHBondContact O-N 3.47Å; K311-V313 VanDerWaalsContact O-N 3.15Å; K311-A330 WeakPolarHBondContact O-CA 3.36Å; K311-K331 PolarHBondContact N-O 2.89Å; K311-K331 PolarHBondContact O-N 3.48Å; K311-F333 HydrophobicContact CB-CE2 4.18Å; K311-F333 HydrophobicContact CG-CD2 3.98Å; K311-F333 HydrophobicContact CG-CE2 3.73Å
312D94.9Very high94Very high32 Ų3236.9 Ų36.917%0.17120%0.204CC..  trans59.928.5167.1-57-5.2000114.2W329 A330 K331 F406D312-W329 VanDerWaalsContact CB-O 3.22Å; D312-W329 WeakPolarHBondContact CB-O 3.41Å; D312-W329 CarbonylContact O-C 3.54Å; D312-W329 VanDerWaalsContact O-C 3.31Å; D312-A330 WeakPolarHBondContact O-CA 3.45Å; D312-A330 PolarHBondContact O-N 3.07Å; D312-K331 WeakPolarHBondContact OD2-CD 3.12Å; D312-K331 WeakPolarHBondContact OD2-CE 3.44Å; D312-K331 IonicContact OD2-NZ 3.8Å; D312-K331 PolarHBondContact OD2-NZ 3.22Å; D312-F406 HydrophobicContact CB-CE1 4.31Å; D312-F406 HydrophobicContact CB-CE2 4.41Å; D312-F406 HydrophobicContact CB-CZ 3.69Å
313V96.1Very high93.9Very high6 Ų633.7 Ų33.74%0.03619%0.19CC..  trans-75.9131.7170.8174.40000108.9V292 V295 R296 L299 V310 K311 V315 I325 L327 A330V292-V313 HydrophobicContact CG1-CB 4.36Å; V292-V313 HydrophobicContact CG1-CG1 4.49Å; V295-V313 HydrophobicContact CB-CG1 4.27Å; V295-V313 HydrophobicContact CG1-CG1 3.64Å; R296-V313 HydrophobicContact CG-CB 4.28Å; R296-V313 HydrophobicContact CG-CG2 3.9Å; L299-V313 HydrophobicContact CD1-CG2 3.98Å; V310-V313 HydrophobicContact CG1-CG2 3.83Å; K311-V313 PolarHBondContact O-N 3.47Å; K311-V313 VanDerWaalsContact O-N 3.15Å; V313-V315 HydrophobicContact CG1-CG2 4.49Å; V313-I325 HydrophobicContact CG1-CG2 4.41Å; V313-L327 HydrophobicContact CG1-CD2 4.37Å; V313-L327 HydrophobicContact CG2-CD2 4.46Å; V313-A330 HydrophobicContact CG2-CB 3.86Å
314I96Very high93.9Very high0 Ų033.9 Ų33.90%019%0.191CC..EExtended strand (participates in β ladder)trans-110.4133.6177.4-56.3169.2000109.2W316 D326 W329 F406 P428 L439I314-W316 HydrophobicContact CG2-CD2 4.34Å; I314-W316 HydrophobicContact CG2-CG 4.28Å; I314-W316 HydrophobicContact CG2-CZ2 4.28Å; I314-D326 HydrophobicContact CB-CB 4.17Å; I314-D326 PolarHBondContact N-O 3.21Å; I314-D326 PolarHBondContact O-N 3.04Å; I314-W329 HydrophobicContact CD1-CB 3.97Å; I314-W329 HydrophobicContact CD1-CG 3.89Å; I314-F406 HydrophobicContact CD1-CE2 3.93Å; I314-F406 HydrophobicContact CD1-CZ 4.44Å; I314-F406 HydrophobicContact CG1-CD2 4.41Å; I314-F406 HydrophobicContact CG1-CE2 3.63Å; I314-F406 HydrophobicContact CG1-CZ 4.45Å; I314-P428 HydrophobicContact CD1-CB 4.07Å; I314-P428 HydrophobicContact CD1-CG 4.18Å; I314-P428 HydrophobicContact CG1-CB 4.13Å; I314-P428 HydrophobicContact CG2-CB 3.79Å; I314-P428 HydrophobicContact CG2-CG 3.75Å; I314-L439 HydrophobicContact CD1-CD2 4.3Å
315V95.6Very high93.9Very high1 Ų130.3 Ų30.31%0.00617%0.165CC..EExtended strand (participates in β ladder)trans-120.3123.3172.6177.10000109L291 V292 V295 V313 F323 V324 S408 S426L291-V315 HydrophobicContact CD2-CG1 3.55Å; L291-V315 HydrophobicContact CG-CG1 3.95Å; L291-V315 HydrophobicContact CG-CG2 4.49Å; V292-V315 HydrophobicContact CG2-CB 4.02Å; V292-V315 HydrophobicContact CG2-CG2 3.78Å; V295-V315 HydrophobicContact CG2-CG2 4.17Å; V313-V315 HydrophobicContact CG1-CG2 4.49Å; V315-F323 HydrophobicContact CG1-CB 4.07Å; V315-F323 HydrophobicContact CG1-CD2 4.41Å; V315-F323 HydrophobicContact CG1-CG 4.43Å; V315-V324 WeakPolarHBondContact CA-O 3.32Å; V315-S408 PolarHBondContact N-OG 3.47Å; V315-S408 WeakPolarHBondContact O-CB 3.48Å; V315-S408 PolarHBondContact O-OG 2.88Å; V315-S426 WeakPolarHBondContact O-CB 3.3Å; V315-S426 PolarHBondContact O-OG 3.28Å
316W95.1Very high93.8Very high1 Ų129.8 Ų29.80%0.00416%0.161CC..EExtended strand (participates in β ladder)trans-108.9158.3179.1-59.385.4000112.1I314 F323 V324 Y417 S426 A427 P428 L438 V442 V444 M448 L452I314-W316 HydrophobicContact CG2-CD2 4.34Å; I314-W316 HydrophobicContact CG2-CG 4.28Å; I314-W316 HydrophobicContact CG2-CZ2 4.28Å; W316-F323 CarbonylContact O-C 3.59Å; W316-F323 VanDerWaalsContact O-CA 3.25Å; W316-F323 WeakPolarHBondContact O-CA 3.4Å; W316-F323 VanDerWaalsContact O-CB 3.29Å; W316-F323 WeakPolarHBondContact O-CB 3.34Å; W316-V324 HydrophobicContact CB-CB 4.32Å; W316-V324 PolarHBondContact N-O 2.6Å; W316-V324 PolarHBondContact O-N 3.42Å; W316-Y417 AromaticContact CH2-CE2 3.91Å; W316-Y417 HydrophobicContact CH2-CE2 3.91Å; W316-Y417 HydrophobicContact CZ3-CE2 4.03Å; W316-S426 VanDerWaalsContact CA-O 3.25Å; W316-S426 WeakPolarHBondContact CA-O 3.47Å; W316-A427 HydrophobicContact CE3-CB 3.87Å; W316-A427 HydrophobicContact CH2-CB 4.47Å; W316-A427 HydrophobicContact CZ3-CB 3.64Å; W316-P428 HydrophobicContact CH2-CG 3.65Å; W316-P428 HydrophobicContact CZ2-CG 3.4Å; W316-P428 VanDerWaalsContact CZ2-CG 3.4Å; W316-P428 HydrophobicContact CZ3-CG 4.44Å; W316-L438 HydrophobicContact CH2-CD1 4.43Å; W316-L438 HydrophobicContact CZ3-CD1 4.46Å; W316-V442 HydrophobicContact CH2-CG1 4.36Å; W316-V442 HydrophobicContact CZ2-CB 4.32Å; W316-V442 HydrophobicContact CZ2-CG1 3.63Å; W316-V444 HydrophobicContact CH2-CG2 4.16Å; W316-V444 HydrophobicContact CZ2-CG2 4.25Å; W316-M448 HydrophobicContact CD2-CE 4.05Å; W316-M448 HydrophobicContact CG-CE 3.93Å; W316-M448 HydrophobicContact CZ2-CE 4.26Å; W316-L452 HydrophobicContact CB-CD2 3.42Å; W316-L452 VanDerWaalsContact CB-CD2 3.42Å; W316-L452 HydrophobicContact CG-CD2 4.25Å
317G93.7Very high93.8Very high0 Ų024.6 Ų24.60%014%0.136CC..EExtended strand (participates in β ladder)trans98.2-145.4170.400000114.4N266 S426N266-G317 PolarHBondContact ND2-O 3.1Å; G317-S426 PolarHBondContact N-O 3.25Å; G317-S426 WeakPolarHBondContact O-CB 3.46Å; G317-S426 PolarHBondContact O-N 3.39Å
318N92.8Very high93.7Very high10 Ų1027.2 Ų27.25%0.05314%0.137CC..  trans-84.9115.9-178.2-176.5-2.4000110.6N266 S320 G321 R322 E458 L459N266-N318 PolarHBondContact OD1-OD1 2.61Å; N318-S320 PolarHBondContact O-N 2.82Å; N318-S320 PolarHBondContact OD1-N 3.11Å; N318-S320 PolarHBondContact OD1-OG 3.4Å; N318-G321 PolarHBondContact O-N 3.29Å; N318-G321 PolarHBondContact OD1-N 3.07Å; N318-R322 WeakPolarHBondContact CA-O 3.37Å; N318-R322 VanDerWaalsContact CB-O 3.29Å; N318-R322 WeakPolarHBondContact CB-O 3.44Å; N318-R322 PolarHBondContact N-O 2.82Å; N318-E458 PolarHBondContact ND2-OE2 2.97Å; N318-L459 HydrophobicContact CB-CD1 4.25Å; N318-L459 HydrophobicContact CB-CD2 3.82Å; N318-L459 HydrophobicContact CB-CG 3.99Å; N318-L459 VanDerWaalsContact CG-CD2 3.48Å
319I92.1Very high93.7Very high4 Ų428.5 Ų28.52%0.02113%0.133CC..THydrogen-bonded Turntrans-62.3-30.6-173.9-61.9164.9000111.8V265 N266 A286 A288 R371V265-I319 HydrophobicContact CB-CB 4.25Å; V265-I319 HydrophobicContact CB-CG2 4.29Å; V265-I319 HydrophobicContact CG1-CB 4.43Å; V265-I319 HydrophobicContact CG1-CD1 3.91Å; V265-I319 HydrophobicContact CG1-CG2 4.34Å; V265-I319 HydrophobicContact CG2-CG2 4.35Å; N266-I319 WeakPolarHBondContact OD1-CB 3.38Å; N266-I319 VanDerWaalsContact OD1-CG1 3.29Å; N266-I319 WeakPolarHBondContact OD1-CG1 3.43Å; N266-I319 PolarHBondContact OD1-N 2.68Å; A286-I319 HydrophobicContact CB-CD1 3.92Å; A288-I319 HydrophobicContact CB-CD1 3.86Å; A288-I319 HydrophobicContact CB-CG1 3.82Å; A288-I319 HydrophobicContact CB-CG2 4.35Å; I319-R371 VanDerWaalsContact O-CZ 3.26Å; I319-R371 PolarHBondContact O-NH1 3.42Å; I319-R371 PolarHBondContact O-NH2 3.32Å
320S86.3Confident93.7Very high38 Ų3827.5 Ų27.527%0.26613%0.128SC..THydrogen-bonded Turntrans-1096-179.551.90000113.9M262 F264 V265 N318M262-S320 WeakPolarHBondContact O-CB 3.41Å; F264-S320 WeakPolarHBondContact CA-OG 3.46Å; F264-S320 PolarHBondContact N-OG 3.08Å; F264-S320 VanDerWaalsContact N-OG 3.14Å; V265-S320 PolarHBondContact N-OG 3.46Å; N318-S320 PolarHBondContact O-N 2.82Å; N318-S320 PolarHBondContact OD1-N 3.11Å; N318-S320 PolarHBondContact OD1-OG 3.4Å
321G88.2Confident93.6Very high22 Ų2230.9 Ų30.923%0.22714%0.142CC..SBendtrans-140.7-126.7-174.800000112.1N318 F323N318-G321 PolarHBondContact O-N 3.29Å; N318-G321 PolarHBondContact OD1-N 3.07Å; G321-F323 WeakPolarHBondContact O-CD1 3.39Å; G321-F323 PolarHBondContact O-N 3.04Å
322R90.8Very high93.7Very high118 Ų11827.6 Ų27.645%0.44513%0.128SC..  trans-74.2125.1176.5-168.2178.3-65.7-149.6-1.3111N318 C455 E458N318-R322 WeakPolarHBondContact CA-O 3.37Å; N318-R322 VanDerWaalsContact CB-O 3.29Å; N318-R322 WeakPolarHBondContact CB-O 3.44Å; N318-R322 PolarHBondContact N-O 2.82Å; R322-C455 PolarHBondContact O-SG 2.93Å; R322-E458 VanDerWaalsContact CB-OE2 3.28Å; R322-E458 WeakPolarHBondContact CB-OE2 3.45Å; R322-E458 PolarHBondContact N-OE2 2.87Å
323F93Very high93.7Very high4 Ų428.3 Ų28.32%0.01813%0.13CC..EExtended strand (participates in β ladder)trans-133.9162.5176.858.4-97.5000112.3L291 V315 W316 G321 I325 K364 V367 H368L291-F323 HydrophobicContact CD1-CD1 4.3Å; L291-F323 HydrophobicContact CD1-CE1 3.92Å; L291-F323 HydrophobicContact CD1-CE2 4.18Å; L291-F323 HydrophobicContact CD1-CZ 3.86Å; L291-F323 HydrophobicContact CD2-CB 4.14Å; L291-F323 HydrophobicContact CD2-CD1 3.68Å; L291-F323 HydrophobicContact CD2-CD2 4.28Å; L291-F323 HydrophobicContact CD2-CE1 4.14Å; L291-F323 HydrophobicContact CD2-CG 3.77Å; V315-F323 HydrophobicContact CG1-CB 4.07Å; V315-F323 HydrophobicContact CG1-CD2 4.41Å; V315-F323 HydrophobicContact CG1-CG 4.43Å; W316-F323 CarbonylContact O-C 3.59Å; W316-F323 VanDerWaalsContact O-CA 3.25Å; W316-F323 WeakPolarHBondContact O-CA 3.4Å; W316-F323 VanDerWaalsContact O-CB 3.29Å; W316-F323 WeakPolarHBondContact O-CB 3.34Å; G321-F323 WeakPolarHBondContact O-CD1 3.39Å; G321-F323 PolarHBondContact O-N 3.04Å; F323-I325 HydrophobicContact CD2-CG1 3.99Å; F323-I325 HydrophobicContact CE2-CD1 3.99Å; F323-I325 HydrophobicContact CE2-CG1 3.93Å; F323-K364 PolarHBondContact O-NZ 3.29Å; F323-V367 HydrophobicContact CE2-CG1 4.28Å; F323-V367 HydrophobicContact CZ-CG1 4.06Å; F323-H368 AromaticContact CE1-CE1 3.34Å; F323-H368 WeakPolarHBondContact CE1-CE1 3.37Å; F323-H368 AromaticContact CE1-ND1 3.87Å; F323-H368 AromaticContact CZ-CE1 3.43Å; F323-H368 VanDerWaalsContact CZ-CE1 3.43Å; F323-H368 WeakPolarHBondContact CZ-CE1 3.34Å; F323-H368 AromaticContact CZ-ND1 3.9Å; F323-H368 AromaticContact CZ-NE2 3.77Å
324V94Very high93.5Very high11 Ų1131.9 Ų31.97%0.06715%0.149CC..EExtended strand (participates in β ladder)trans-120.2127.2176.4-177.40000108.8V315 W316 M448 E451 L452V315-V324 WeakPolarHBondContact CA-O 3.32Å; W316-V324 HydrophobicContact CB-CB 4.32Å; W316-V324 PolarHBondContact N-O 2.6Å; W316-V324 PolarHBondContact O-N 3.42Å; V324-M448 HydrophobicContact CG1-CG 4.38Å; V324-E451 HydrophobicContact CG2-CB 3.59Å; V324-L452 HydrophobicContact CB-CD2 4.49Å; V324-L452 HydrophobicContact CG2-CD2 4.15Å; V324-L452 HydrophobicContact CG2-CG 4.47Å
325I94.8Very high93.2Very high34 Ų3434.8 Ų34.817%0.17416%0.16CC..EExtended strand (participates in β ladder)trans-95.6118175.9-56.4168.7000108.2V295 V313 F323 L327 F363 V367V295-I325 HydrophobicContact CG1-CD1 4.13Å; V295-I325 HydrophobicContact CG1-CG1 4.48Å; V295-I325 HydrophobicContact CG1-CG2 3.72Å; V295-I325 HydrophobicContact CG2-CD1 3.69Å; V295-I325 HydrophobicContact CG2-CG1 3.98Å; V313-I325 HydrophobicContact CG1-CG2 4.41Å; F323-I325 HydrophobicContact CD2-CG1 3.99Å; F323-I325 HydrophobicContact CE2-CD1 3.99Å; F323-I325 HydrophobicContact CE2-CG1 3.93Å; I325-L327 HydrophobicContact CG2-CD2 3.62Å; I325-L327 HydrophobicContact CG2-CG 4.06Å; I325-F363 HydrophobicContact CB-CE1 4.31Å; I325-F363 HydrophobicContact CD1-CD1 4.38Å; I325-F363 HydrophobicContact CD1-CE1 3.7Å; I325-F363 HydrophobicContact CD1-CZ 3.96Å; I325-F363 HydrophobicContact CG2-CE1 3.93Å; I325-F363 HydrophobicContact CG2-CZ 4.21Å; I325-V367 HydrophobicContact CD1-CG1 4.49Å; I325-V367 HydrophobicContact CD1-CG2 4.08Å
326D94.1Very high92.7Very high8 Ų838.8 Ų38.84%0.04319%0.186CC..EExtended strand (participates in β ladder)trans-105.9109.6176.6-178.54.4000110.5I314 R328 M448I314-D326 HydrophobicContact CB-CB 4.17Å; I314-D326 PolarHBondContact N-O 3.21Å; I314-D326 PolarHBondContact O-N 3.04Å; D326-R328 VanDerWaalsContact OD1-CB 3.25Å; D326-R328 WeakPolarHBondContact OD1-CB 3.35Å; D326-R328 VanDerWaalsContact OD1-CG 3.25Å; D326-R328 WeakPolarHBondContact OD1-CG 3.01Å; D326-R328 IonicContact OD1-CZ 3.98Å; D326-R328 PolarHBondContact OD1-N 2.83Å; D326-R328 IonicContact OD1-NE 3.87Å; D326-R328 PolarHBondContact OD1-NE 3.45Å; D326-R328 IonicContact OD1-NH2 2.67Å; D326-R328 IonicContact OD2-CZ 2.71Å; D326-R328 IonicContact OD2-NE 2.76Å; D326-R328 PolarHBondContact OD2-NE 2.81Å; D326-R328 IonicContact OD2-NH2 2.78Å; D326-R328 PolarHBondContact OD2-NH2 3.25Å; D326-M448 HydrophobicContact CB-CE 4.16Å
327L94.8Very high92.1Very high13 Ų1340.5 Ų40.57%0.06820%0.204CC..  trans-962.8-179-57.7-176.7000113.5L299 V313 I325 W329 A330 V349 L350 L359 F363L299-L327 HydrophobicContact CD1-CD2 3.69Å; L299-L327 HydrophobicContact CD2-CD1 4.16Å; V313-L327 HydrophobicContact CG1-CD2 4.37Å; V313-L327 HydrophobicContact CG2-CD2 4.46Å; I325-L327 HydrophobicContact CG2-CD2 3.62Å; I325-L327 HydrophobicContact CG2-CG 4.06Å; L327-W329 PolarHBondContact O-N 3.42Å; L327-A330 HydrophobicContact CB-CB 4.22Å; L327-A330 HydrophobicContact CD2-CB 4.1Å; L327-A330 WeakPolarHBondContact O-CB 3.46Å; L327-A330 PolarHBondContact O-N 2.8Å; L327-A330 VanDerWaalsContact O-N 3.07Å; L327-V349 HydrophobicContact CD1-CG1 4.42Å; L327-L350 HydrophobicContact CB-CD1 4.43Å; L327-L350 HydrophobicContact CB-CD2 3.93Å; L327-L350 HydrophobicContact CB-CG 4.06Å; L327-L350 HydrophobicContact CD1-CD2 4.23Å; L327-L359 HydrophobicContact CD1-CD2 3.68Å; L327-F363 HydrophobicContact CD1-CE1 3.95Å; L327-F363 HydrophobicContact CD1-CZ 4.34Å
328R93.1Very high91.6Very high118 Ų11846 Ų4645%0.44525%0.249SC..SBendtrans-62.7-30.7-176.6-67.1175.3-65.9172.96.4112.5D326 L350 T443 M448D326-R328 VanDerWaalsContact OD1-CB 3.25Å; D326-R328 WeakPolarHBondContact OD1-CB 3.35Å; D326-R328 VanDerWaalsContact OD1-CG 3.25Å; D326-R328 WeakPolarHBondContact OD1-CG 3.01Å; D326-R328 IonicContact OD1-CZ 3.98Å; D326-R328 PolarHBondContact OD1-N 2.83Å; D326-R328 IonicContact OD1-NE 3.87Å; D326-R328 PolarHBondContact OD1-NE 3.45Å; D326-R328 IonicContact OD1-NH2 2.67Å; D326-R328 IonicContact OD2-CZ 2.71Å; D326-R328 IonicContact OD2-NE 2.76Å; D326-R328 PolarHBondContact OD2-NE 2.81Å; D326-R328 IonicContact OD2-NH2 2.78Å; D326-R328 PolarHBondContact OD2-NH2 3.25Å; R328-L350 HydrophobicContact CG-CD1 4.35Å; R328-T443 PolarHBondContact NH1-O 2.85Å; R328-T443 PolarHBondContact NH2-O 2.74Å; R328-M448 PolarHBondContact NH2-SD 2.86Å
329W93.8Very high91Very high87 Ų8751.8 Ų51.833%0.3328%0.279SS..SBendtrans-94.9-12.9175.9-71.679.4000113.4D312 I314 L327 K331 F406 V442D312-W329 VanDerWaalsContact CB-O 3.22Å; D312-W329 WeakPolarHBondContact CB-O 3.41Å; D312-W329 CarbonylContact O-C 3.54Å; D312-W329 VanDerWaalsContact O-C 3.31Å; I314-W329 HydrophobicContact CD1-CB 3.97Å; I314-W329 HydrophobicContact CD1-CG 3.89Å; L327-W329 PolarHBondContact O-N 3.42Å; W329-K331 PolarHBondContact O-N 3.45Å; W329-F406 HydrophobicContact CB-CZ 4.12Å; W329-F406 HydrophobicContact CE3-CE1 4.14Å; W329-F406 HydrophobicContact CE3-CZ 4.2Å; W329-V442 HydrophobicContact CZ2-CG2 4.36Å
330A95.8Very high90.5Very high0 Ų063.7 Ų63.70%032%0.324CS..  trans-67.2134.6-172.500000111.3K311 D312 V313 L327 P348 V349K311-A330 WeakPolarHBondContact O-CA 3.36Å; D312-A330 WeakPolarHBondContact O-CA 3.45Å; D312-A330 PolarHBondContact O-N 3.07Å; V313-A330 HydrophobicContact CG2-CB 3.86Å; L327-A330 HydrophobicContact CB-CB 4.22Å; L327-A330 HydrophobicContact CD2-CB 4.1Å; L327-A330 WeakPolarHBondContact O-CB 3.46Å; L327-A330 PolarHBondContact O-N 2.8Å; L327-A330 VanDerWaalsContact O-N 3.07Å; A330-P348 WeakPolarHBondContact O-CA 3.36Å; A330-V349 HydrophobicContact CB-CB 4.02Å; A330-V349 HydrophobicContact CB-CG2 3.78Å; A330-V349 PolarHBondContact O-N 3.05Å
331K95.9Very high90.5Very high72 Ų7264.1 Ų64.131%0.31333%0.325SS..EExtended strand (participates in β ladder)trans-123.6147.2-178.5-66.5171.7-161.6146.10110.2V310 K311 D312 W329 F333 Q347V310-K331 CarbonylContact C-O 3.31Å; V310-K331 WeakPolarHBondContact CA-O 3.41Å; K311-K331 PolarHBondContact N-O 2.89Å; K311-K331 PolarHBondContact O-N 3.48Å; D312-K331 WeakPolarHBondContact OD2-CD 3.12Å; D312-K331 WeakPolarHBondContact OD2-CE 3.44Å; D312-K331 IonicContact OD2-NZ 3.8Å; D312-K331 PolarHBondContact OD2-NZ 3.22Å; W329-K331 PolarHBondContact O-N 3.45Å; K331-F333 HydrophobicContact CB-CE2 4.44Å; K331-Q347 CarbonylContact C-O 3.6Å; K331-Q347 WeakPolarHBondContact CA-O 3.28Å
332V96.2Very high90.5Very high1 Ų166.9 Ų66.91%0.00634%0.338CS..EExtended strand (participates in β ladder)trans-118.8130.6171.462.10000109.9L303 V305 D309 S346 Q347 V349 V352L303-V332 HydrophobicContact CD1-CB 4.28Å; L303-V332 HydrophobicContact CD1-CG2 4.14Å; V305-V332 HydrophobicContact CB-CG2 4.45Å; V305-V332 HydrophobicContact CG1-CG2 4.11Å; V305-V332 HydrophobicContact CG2-CG2 3.89Å; D309-V332 WeakPolarHBondContact O-CA 3.38Å; V332-S346 VanDerWaalsContact O-CA 3.32Å; V332-S346 WeakPolarHBondContact O-CA 3.28Å; V332-Q347 HydrophobicContact CG1-CB 4.36Å; V332-Q347 PolarHBondContact N-O 3.45Å; V332-Q347 PolarHBondContact O-N 2.72Å; V332-V349 HydrophobicContact CB-CG2 4.22Å; V332-V352 HydrophobicContact CG1-CB 4.29Å; V332-V352 HydrophobicContact CG1-CG2 3.88Å
333F94.8Very high90.2Very high47 Ų4766 Ų6621%0.20635%0.348CS..EExtended strand (participates in β ladder)trans-98.8163.8171-67.5-99.9000109.7D309 K311 K331 Y335 F345 S346D309-F333 HydrophobicContact CB-CB 4.23Å; D309-F333 WeakPolarHBondContact CB-O 3.25Å; D309-F333 WeakPolarHBondContact O-CD2 3.43Å; D309-F333 PolarHBondContact O-N 3.44Å; K311-F333 HydrophobicContact CB-CE2 4.18Å; K311-F333 HydrophobicContact CG-CD2 3.98Å; K311-F333 HydrophobicContact CG-CE2 3.73Å; K331-F333 HydrophobicContact CB-CE2 4.44Å; F333-Y335 PolarHBondContact O-N 3.35Å; F333-F345 WeakPolarHBondContact CD1-O 3.33Å; F333-S346 VanDerWaalsContact CZ-CB 3.48Å
334N91.7Very high90Very high80 Ų8070.7 Ų70.743%0.42838%0.381SS..SBendtrans52.424.8172.9-56.9-49.1000115.6D309D309-N334 PolarHBondContact OD1-ND2 2.75Å
335Y90.8Very high90Very high61 Ų6174.7 Ų74.724%0.23940%0.398CS..  trans-66130-179.4178.7-104.6000110.8L303 V305 F333 G337 V352L303-Y335 HydrophobicContact CB-CD2 4.42Å; L303-Y335 HydrophobicContact CB-CE2 4.36Å; L303-Y335 HydrophobicContact CD2-CD2 4.43Å; L303-Y335 HydrophobicContact CD2-CE2 3.99Å; V305-Y335 HydrophobicContact CG1-CD2 4.1Å; F333-Y335 PolarHBondContact O-N 3.35Å; Y335-G337 VanDerWaalsContact C-N 3.26Å; Y335-G337 PolarHBondContact O-N 3.17Å; Y335-V352 HydrophobicContact CD1-CG1 3.58Å; Y335-V352 HydrophobicContact CD1-CG2 4.45Å; Y335-V352 HydrophobicContact CD2-CG1 3.53Å; Y335-V352 HydrophobicContact CE1-CG1 3.35Å; Y335-V352 HydrophobicContact CE2-CG1 3.31Å; Y335-V352 HydrophobicContact CG-CG1 3.66Å
336P85.2Confident89.9Confident86 Ų8674.8 Ų74.856%0.55840%0.402SS*.  trans-73.378.4179.729.5-35000111.2
337G82.5Confident89.9Confident37 Ų3776.5 Ų76.538%0.38141%0.41SS..  trans-94.5174.1175.300000113.7Y335 I339Y335-G337 VanDerWaalsContact C-N 3.26Å; Y335-G337 PolarHBondContact O-N 3.17Å; G337-I339 PolarHBondContact O-N 2.88Å
338A82.6Confident90Very high115 Ų11579.1 Ų79.195%0.9543%0.427SS*.SBendtrans-63.7-19.417600000113.7
339I81.5Confident90.1Very high132 Ų13273.5 Ų73.568%0.67741%0.406SS*.SBendtrans-113126.9179.1-57.7174.4000107.9G337 V341G337-I339 PolarHBondContact O-N 2.88Å; I339-V341 HydrophobicContact CG2-CG1 4.43Å; I339-V341 PolarHBondContact O-N 2.96Å
340R80.7Confident90.1Very high253 Ų25373.3 Ų73.396%0.95541%0.411SS*.  trans-71.6121.5170.1-70.5-172.2-179.7-172.80.2109.3
341V85.3Confident89.9Confident47 Ų4782.4 Ų82.429%0.28545%0.445SS..  trans-111151.5179.3-66.70000110.4I339 F345I339-V341 HydrophobicContact CG2-CG1 4.43Å; I339-V341 PolarHBondContact O-N 2.96Å; V341-F345 HydrophobicContact CB-CB 4.02Å; V341-F345 HydrophobicContact CB-CD1 3.63Å; V341-F345 HydrophobicContact CB-CE1 4.37Å; V341-F345 HydrophobicContact CB-CG 4.05Å; V341-F345 HydrophobicContact CG1-CD1 3.67Å; V341-F345 HydrophobicContact CG1-CE1 3.9Å; V341-F345 HydrophobicContact CG1-CG 4.34Å; V341-F345 HydrophobicContact CG2-CB 4.39Å; V341-F345 HydrophobicContact CG2-CD1 3.83Å
342P88.8Confident89.7Confident80 Ų8079.6 Ų79.652%0.51943%0.434SS..  trans-60152.2174.1-22.833.6000112S344 F345P342-S344 PolarHBondContact O-N 3.3Å; P342-S344 VanDerWaalsContact O-N 3.09Å; P342-F345 VanDerWaalsContact O-CB 3.27Å; P342-F345 WeakPolarHBondContact O-CB 3.49Å; P342-F345 PolarHBondContact O-N 3Å
343P85.6Confident89.5Confident99 Ų9980 Ų8064%0.64344%0.436SS*.THydrogen-bonded Turntrans-59.2-24.2-179.9-25.834.7000114.9F345P343-F345 VanDerWaalsContact C-N 3.29Å
344S88.4Confident89.1Confident103 Ų10387.2 Ų87.272%0.7246%0.464SS*.THydrogen-bonded Turntrans-79.9-9.4176.760.20000113.7P342P342-S344 PolarHBondContact O-N 3.3Å; P342-S344 VanDerWaalsContact O-N 3.09Å
345F92.7Very high89.1Confident96 Ų9686 Ų8642%0.42146%0.457SS..  trans-83.5135.1-179.4-176-97.6000110.6F333 V341 P342 P343 Q347F333-F345 WeakPolarHBondContact CD1-O 3.33Å; V341-F345 HydrophobicContact CB-CB 4.02Å; V341-F345 HydrophobicContact CB-CD1 3.63Å; V341-F345 HydrophobicContact CB-CE1 4.37Å; V341-F345 HydrophobicContact CB-CG 4.05Å; V341-F345 HydrophobicContact CG1-CD1 3.67Å; V341-F345 HydrophobicContact CG1-CE1 3.9Å; V341-F345 HydrophobicContact CG1-CG 4.34Å; V341-F345 HydrophobicContact CG2-CB 4.39Å; V341-F345 HydrophobicContact CG2-CD1 3.83Å; P342-F345 VanDerWaalsContact O-CB 3.27Å; P342-F345 WeakPolarHBondContact O-CB 3.49Å; P342-F345 PolarHBondContact O-N 3Å; P343-F345 VanDerWaalsContact C-N 3.29Å; F345-Q347 HydrophobicContact CD1-CG 4.14Å; F345-Q347 HydrophobicContact CE1-CG 3.42Å; F345-Q347 VanDerWaalsContact CE1-CG 3.42Å; F345-Q347 HydrophobicContact CZ-CG 4.19Å
346S93.9Very high89.1Confident36 Ų3692.2 Ų92.225%0.25248%0.48SS..EExtended strand (participates in β ladder)trans-125.5155.8174.455.60000112V332 F333V332-S346 VanDerWaalsContact O-CA 3.32Å; V332-S346 WeakPolarHBondContact O-CA 3.28Å; F333-S346 VanDerWaalsContact CZ-CB 3.48Å
347Q94.3Very high89.5Confident44 Ų4495.3 Ų95.321%0.20649%0.485CS..EExtended strand (participates in β ladder)trans-123145.3175.3-61.1-178.1-9200109.8K331 V332 F345 V349 V352K331-Q347 CarbonylContact C-O 3.6Å; K331-Q347 WeakPolarHBondContact CA-O 3.28Å; V332-Q347 HydrophobicContact CG1-CB 4.36Å; V332-Q347 PolarHBondContact N-O 3.45Å; V332-Q347 PolarHBondContact O-N 2.72Å; F345-Q347 HydrophobicContact CD1-CG 4.14Å; F345-Q347 HydrophobicContact CE1-CG 3.42Å; F345-Q347 VanDerWaalsContact CE1-CG 3.42Å; F345-Q347 HydrophobicContact CZ-CG 4.19Å; Q347-V349 PolarHBondContact O-N 3.48Å; Q347-V352 HydrophobicContact CB-CG2 3.61Å; Q347-V352 HydrophobicContact CG-CG2 4.44Å
348P96Very high90.2Very high67 Ų6794 Ų9444%0.43547%0.468SS..EExtended strand (participates in β ladder)trans-59.1132.4171.1-23.133.6000110.8A330 L350 R351 V352A330-P348 WeakPolarHBondContact O-CA 3.36Å; P348-L350 VanDerWaalsContact C-N 3.27Å; P348-L350 PolarHBondContact O-N 3.32Å; P348-R351 HydrophobicContact CB-CB 4.24Å; P348-R351 WeakPolarHBondContact O-CB 3.41Å; P348-R351 PolarHBondContact O-N 3.44Å; P348-V352 PolarHBondContact O-N 3.36Å
349V95.3Very high90.6Very high0 Ų090.2 Ų90.20%043%0.432CS..Hα-helixtrans-56.2-43.8-1791670000110.8L299 L303 L327 A330 V332 Q347 R351 V352 L353L299-V349 HydrophobicContact CD2-CG1 4.25Å; L303-V349 HydrophobicContact CD1-CG1 4.49Å; L327-V349 HydrophobicContact CD1-CG1 4.42Å; A330-V349 HydrophobicContact CB-CB 4.02Å; A330-V349 HydrophobicContact CB-CG2 3.78Å; A330-V349 PolarHBondContact O-N 3.05Å; V332-V349 HydrophobicContact CB-CG2 4.22Å; Q347-V349 PolarHBondContact O-N 3.48Å; V349-R351 PolarHBondContact O-N 3.39Å; V349-R351 VanDerWaalsContact O-N 3.15Å; V349-V352 PolarHBondContact O-N 2.86Å; V349-V352 VanDerWaalsContact O-N 3.1Å; V349-L353 HydrophobicContact CG1-CB 4.45Å; V349-L353 VanDerWaalsContact O-CB 3.3Å; V349-L353 WeakPolarHBondContact O-CB 3.44Å; V349-L353 PolarHBondContact O-N 3.34Å
350L94.4Very high91Very high83 Ų8391.6 Ų91.644%0.43544%0.435SS..Hα-helixtrans-64.8-17.4179.2-64.5178.8000114.4L327 R328 P348 L359L327-L350 HydrophobicContact CB-CD1 4.43Å; L327-L350 HydrophobicContact CB-CD2 3.93Å; L327-L350 HydrophobicContact CB-CG 4.06Å; L327-L350 HydrophobicContact CD1-CD2 4.23Å; R328-L350 HydrophobicContact CG-CD1 4.35Å; P348-L350 VanDerWaalsContact C-N 3.27Å; P348-L350 PolarHBondContact O-N 3.32Å; L350-L359 HydrophobicContact CD2-CD1 3.99Å
351R92Very high91.4Very high192 Ų19283.1 Ų83.173%0.72541%0.412SS*.Hα-helixtrans-84.2-35.4174.2-178.4178.2176.3178.10.1111.6P348 V349P348-R351 HydrophobicContact CB-CB 4.24Å; P348-R351 WeakPolarHBondContact O-CB 3.41Å; P348-R351 PolarHBondContact O-N 3.44Å; V349-R351 PolarHBondContact O-N 3.39Å; V349-R351 VanDerWaalsContact O-N 3.15Å
352V91.3Very high91.9Very high12 Ų1285.2 Ų85.27%0.07342%0.419CS..Hα-helixtrans-82.6-41.1-177.6178.40000110.7L303 V332 Y335 Q347 P348 V349 Y354L303-V352 HydrophobicContact CD2-CG1 3.83Å; V332-V352 HydrophobicContact CG1-CB 4.29Å; V332-V352 HydrophobicContact CG1-CG2 3.88Å; Y335-V352 HydrophobicContact CD1-CG1 3.58Å; Y335-V352 HydrophobicContact CD1-CG2 4.45Å; Y335-V352 HydrophobicContact CD2-CG1 3.53Å; Y335-V352 HydrophobicContact CE1-CG1 3.35Å; Y335-V352 HydrophobicContact CE2-CG1 3.31Å; Y335-V352 HydrophobicContact CG-CG1 3.66Å; Q347-V352 HydrophobicContact CB-CG2 3.61Å; Q347-V352 HydrophobicContact CG-CG2 4.44Å; P348-V352 PolarHBondContact O-N 3.36Å; V349-V352 PolarHBondContact O-N 2.86Å; V349-V352 VanDerWaalsContact O-N 3.1Å; V352-Y354 WeakPolarHBondContact O-CD1 3.31Å; V352-Y354 PolarHBondContact O-N 3.46Å
353L91.1Very high92.2Very high10 Ų1081.9 Ų81.95%0.05240%0.396CS..  trans-86.787.7178.9-16777.6000110.3L299 K302 L303 V349 D355 W358 L359L299-L353 HydrophobicContact CD2-CD2 4.46Å; K302-L353 HydrophobicContact CG-CD1 3.56Å; L303-L353 HydrophobicContact CD2-CB 4.25Å; L303-L353 HydrophobicContact CD2-CD1 3.87Å; L303-L353 HydrophobicContact CG-CD1 4.48Å; V349-L353 HydrophobicContact CG1-CB 4.45Å; V349-L353 VanDerWaalsContact O-CB 3.3Å; V349-L353 WeakPolarHBondContact O-CB 3.44Å; V349-L353 PolarHBondContact O-N 3.34Å; L353-D355 VanDerWaalsContact C-N 3.35Å; L353-W358 HydrophobicContact CD2-CE3 3.98Å; L353-W358 HydrophobicContact CD2-CZ3 3.78Å; L353-L359 HydrophobicContact CD2-CD1 3.82Å; L353-L359 HydrophobicContact CD2-CD2 3.45Å; L353-L359 VanDerWaalsContact CD2-CD2 3.45Å; L353-L359 HydrophobicContact CD2-CG 3.5Å; L353-L359 HydrophobicContact CG-CD1 4.46Å; L353-L359 HydrophobicContact CG-CG 4.42Å
354Y87.9Confident92.4Very high199 Ų19980.7 Ų80.778%0.7838%0.381SS*.  trans-80.8-12.4-178.357.4-92.2000114.2V352 R356V352-Y354 WeakPolarHBondContact O-CD1 3.31Å; V352-Y354 PolarHBondContact O-N 3.46Å; Y354-R356 VanDerWaalsContact C-N 3.33Å; Y354-R356 PolarHBondContact O-N 3.33Å
355D91.9Very high92.6Very high55 Ų5579.2 Ų79.229%0.29437%0.369SS..  trans-76.478.1-178.8-171-4.1000111.5K302 L353 K357 W358 L359K302-D355 IonicContact NZ-OD2 3.69Å; K302-D355 PolarHBondContact NZ-OD2 3.35Å; L353-D355 VanDerWaalsContact C-N 3.35Å; D355-K357 VanDerWaalsContact C-N 3.25Å; D355-K357 PolarHBondContact O-N 3.42Å; D355-W358 HydrophobicContact CB-CB 4.1Å; D355-W358 PolarHBondContact O-N 3.26Å; D355-W358 WeakPolarHBondContact OD1-CB 3.4Å; D355-W358 PolarHBondContact OD1-N 2.95Å; D355-W358 VanDerWaalsContact OD1-N 3.09Å; D355-W358 VanDerWaalsContact OD2-CB 3.23Å; D355-W358 WeakPolarHBondContact OD2-CB 3.31Å; D355-L359 PolarHBondContact O-N 2.95Å
356R90.7Very high92.7Very high190 Ų19077.6 Ų77.672%0.71736%0.364SS*.Hα-helixtrans-60.8-34.5179.8-67.8-171.7179.5-174.3-0.8112.8Y354 L359 E360Y354-R356 VanDerWaalsContact C-N 3.33Å; Y354-R356 PolarHBondContact O-N 3.33Å; R356-L359 WeakPolarHBondContact O-CB 3.3Å; R356-L359 PolarHBondContact O-N 2.99Å; R356-E360 WeakPolarHBondContact O-CG 3.22Å; R356-E360 PolarHBondContact O-N 3.41Å
357K93.7Very high92.6Very high151 Ų15175.9 Ų75.966%0.65735%0.352SS*.Hα-helixtrans-62-48.9178.6-175-178.4176.3-172.40109.9D355 L359 E360 T361D355-K357 VanDerWaalsContact C-N 3.25Å; D355-K357 PolarHBondContact O-N 3.42Å; K357-L359 VanDerWaalsContact C-N 3.33Å; K357-L359 PolarHBondContact O-N 2.93Å; K357-E360 PolarHBondContact O-N 3.05Å; K357-T361 PolarHBondContact O-N 2.92Å; K357-T361 PolarHBondContact O-OG1 3.35Å
358W95.4Very high92.3Very high10 Ų1077.1 Ų77.14%0.03836%0.358CS..Hα-helixtrans-58.7-43.5176.4-178.489.4000112.5V298 L299 K302 L353 D355 E360 E362 F363 L366V298-W358 HydrophobicContact CG1-CH2 4.14Å; V298-W358 HydrophobicContact CG1-CZ2 4.16Å; L299-W358 HydrophobicContact CD2-CZ3 4.45Å; K302-W358 HydrophobicContact CB-CH2 3.7Å; K302-W358 HydrophobicContact CB-CZ2 3.75Å; K302-W358 HydrophobicContact CB-CZ3 4.33Å; K302-W358 HydrophobicContact CD-CD2 3.91Å; K302-W358 HydrophobicContact CD-CE3 4.39Å; K302-W358 HydrophobicContact CD-CG 4.29Å; K302-W358 HydrophobicContact CD-CH2 4.38Å; K302-W358 HydrophobicContact CD-CZ2 3.93Å; K302-W358 HydrophobicContact CG-CD2 4.09Å; K302-W358 HydrophobicContact CG-CE3 4.08Å; K302-W358 HydrophobicContact CG-CH2 3.72Å; K302-W358 HydrophobicContact CG-CZ2 3.75Å; K302-W358 HydrophobicContact CG-CZ3 3.91Å; K302-W358 VanDerWaalsContact NZ-CD1 3.26Å; K302-W358 VanDerWaalsContact NZ-CG 3.33Å; L353-W358 HydrophobicContact CD2-CE3 3.98Å; L353-W358 HydrophobicContact CD2-CZ3 3.78Å; D355-W358 HydrophobicContact CB-CB 4.1Å; D355-W358 PolarHBondContact O-N 3.26Å; D355-W358 WeakPolarHBondContact OD1-CB 3.4Å; D355-W358 PolarHBondContact OD1-N 2.95Å; D355-W358 VanDerWaalsContact OD1-N 3.09Å; D355-W358 VanDerWaalsContact OD2-CB 3.23Å; D355-W358 WeakPolarHBondContact OD2-CB 3.31Å; W358-E360 VanDerWaalsContact C-N 3.32Å; W358-E360 PolarHBondContact O-N 3.11Å; W358-E362 HydrophobicContact CG-CB 4.09Å; W358-E362 PolarHBondContact O-N 2.7Å; W358-F363 HydrophobicContact CD2-CB 4.36Å; W358-F363 HydrophobicContact CE3-CB 3.91Å; W358-F363 HydrophobicContact CE3-CG 4.44Å; W358-F363 HydrophobicContact CH2-CB 3.93Å; W358-F363 AromaticContact CH2-CD2 3.27Å; W358-F363 HydrophobicContact CH2-CD2 3.27Å; W358-F363 HydrophobicContact CH2-CE2 4.02Å; W358-F363 AromaticContact CH2-CG 3.9Å; W358-F363 HydrophobicContact CH2-CG 3.9Å; W358-F363 HydrophobicContact CZ2-CB 4.34Å; W358-F363 HydrophobicContact CZ2-CD2 4.1Å; W358-F363 HydrophobicContact CZ3-CB 3.68Å; W358-F363 AromaticContact CZ3-CD2 3.55Å; W358-F363 HydrophobicContact CZ3-CD2 3.55Å; W358-F363 HydrophobicContact CZ3-CE2 4.33Å; W358-F363 AromaticContact CZ3-CG 3.74Å; W358-F363 HydrophobicContact CZ3-CG 3.74Å; W358-F363 PolarHBondContact O-N 2.76Å; W358-L366 HydrophobicContact CZ2-CD1 3.77Å
359L92.1Very high91.9Very high36 Ų3679 Ų7919%0.18836%0.361CS..Hα-helixtrans-58.8-41176.4-85172.5000113.1L327 L350 L353 D355 R356 K357 F363L327-L359 HydrophobicContact CD1-CD2 3.68Å; L350-L359 HydrophobicContact CD2-CD1 3.99Å; L353-L359 HydrophobicContact CD2-CD1 3.82Å; L353-L359 HydrophobicContact CD2-CD2 3.45Å; L353-L359 VanDerWaalsContact CD2-CD2 3.45Å; L353-L359 HydrophobicContact CD2-CG 3.5Å; L353-L359 HydrophobicContact CG-CD1 4.46Å; L353-L359 HydrophobicContact CG-CG 4.42Å; D355-L359 PolarHBondContact O-N 2.95Å; R356-L359 WeakPolarHBondContact O-CB 3.3Å; R356-L359 PolarHBondContact O-N 2.99Å; K357-L359 VanDerWaalsContact C-N 3.33Å; K357-L359 PolarHBondContact O-N 2.93Å; L359-F363 HydrophobicContact CD2-CD1 3.99Å; L359-F363 HydrophobicContact CD2-CE1 4.44Å; L359-F363 HydrophobicContact CD2-CG 4.36Å
360E88.6Confident91.5Very high160 Ų16082.3 Ų82.375%0.74838%0.376SS*.Hα-helixtrans-81.9-32.4-176.3-71.1173.7-17300113.1R356 K357 W358R356-E360 WeakPolarHBondContact O-CG 3.22Å; R356-E360 PolarHBondContact O-N 3.41Å; K357-E360 PolarHBondContact O-N 3.05Å; W358-E360 VanDerWaalsContact C-N 3.32Å; W358-E360 PolarHBondContact O-N 3.11Å
361T91.1Very high90.9Very high76 Ų7679.6 Ų79.647%0.46636%0.36SS..Hα-helixtrans-114.5-32-169.9650000115.4K357 P365K357-T361 PolarHBondContact O-N 2.92Å; K357-T361 PolarHBondContact O-OG1 3.35Å; T361-P365 WeakPolarHBondContact O-CG 3.34Å
362E94.9Very high90.3Very high91 Ų9176.5 Ų76.543%0.42535%0.354SS..THydrogen-bonded Turntrans-109.6-35.3-170.7-67.6174.5-126.300112.4W358 K364 P365 L366W358-E362 HydrophobicContact CG-CB 4.09Å; W358-E362 PolarHBondContact O-N 2.7Å; E362-K364 PolarHBondContact O-N 3.2Å; E362-P365 VanDerWaalsContact O-CD 3.3Å; E362-P365 WeakPolarHBondContact O-CD 3.45Å; E362-L366 HydrophobicContact CB-CD1 4.42Å; E362-L366 WeakPolarHBondContact O-CB 3.42Å; E362-L366 VanDerWaalsContact O-CG 3.26Å; E362-L366 WeakPolarHBondContact O-CG 3.45Å; E362-L366 PolarHBondContact O-N 2.88Å
363F94.1Very high89.8Confident9 Ų979 Ų794%0.03937%0.366CS..Hα-helixtrans-59.3-53.2-172.4176.4-132.1000113.5V295 V298 L299 I325 L327 W358 L359 L366 V367V295-F363 HydrophobicContact CG1-CE2 4.45Å; V295-F363 HydrophobicContact CG1-CZ 3.77Å; V298-F363 HydrophobicContact CB-CE2 4.36Å; V298-F363 HydrophobicContact CG1-CD2 3.82Å; V298-F363 HydrophobicContact CG1-CE2 3.94Å; L299-F363 HydrophobicContact CD1-CZ 4.2Å; L299-F363 HydrophobicContact CD2-CD2 4.39Å; L299-F363 HydrophobicContact CD2-CE1 4.47Å; L299-F363 HydrophobicContact CD2-CE2 3.6Å; L299-F363 HydrophobicContact CD2-CZ 3.62Å; L299-F363 HydrophobicContact CG-CE2 3.72Å; L299-F363 HydrophobicContact CG-CZ 3.76Å; I325-F363 HydrophobicContact CB-CE1 4.31Å; I325-F363 HydrophobicContact CD1-CD1 4.38Å; I325-F363 HydrophobicContact CD1-CE1 3.7Å; I325-F363 HydrophobicContact CD1-CZ 3.96Å; I325-F363 HydrophobicContact CG2-CE1 3.93Å; I325-F363 HydrophobicContact CG2-CZ 4.21Å; L327-F363 HydrophobicContact CD1-CE1 3.95Å; L327-F363 HydrophobicContact CD1-CZ 4.34Å; W358-F363 HydrophobicContact CD2-CB 4.36Å; W358-F363 HydrophobicContact CE3-CB 3.91Å; W358-F363 HydrophobicContact CE3-CG 4.44Å; W358-F363 HydrophobicContact CH2-CB 3.93Å; W358-F363 AromaticContact CH2-CD2 3.27Å; W358-F363 HydrophobicContact CH2-CD2 3.27Å; W358-F363 HydrophobicContact CH2-CE2 4.02Å; W358-F363 AromaticContact CH2-CG 3.9Å; W358-F363 HydrophobicContact CH2-CG 3.9Å; W358-F363 HydrophobicContact CZ2-CB 4.34Å; W358-F363 HydrophobicContact CZ2-CD2 4.1Å; W358-F363 HydrophobicContact CZ3-CB 3.68Å; W358-F363 AromaticContact CZ3-CD2 3.55Å; W358-F363 HydrophobicContact CZ3-CD2 3.55Å; W358-F363 HydrophobicContact CZ3-CE2 4.33Å; W358-F363 AromaticContact CZ3-CG 3.74Å; W358-F363 HydrophobicContact CZ3-CG 3.74Å; W358-F363 PolarHBondContact O-N 2.76Å; L359-F363 HydrophobicContact CD2-CD1 3.99Å; L359-F363 HydrophobicContact CD2-CE1 4.44Å; L359-F363 HydrophobicContact CD2-CG 4.36Å; F363-L366 PolarHBondContact O-N 3.22Å; F363-V367 HydrophobicContact CD2-CG2 4.2Å; F363-V367 HydrophobicContact CE2-CG2 3.9Å; F363-V367 HydrophobicContact CZ-CG2 4.37Å; F363-V367 WeakPolarHBondContact O-CG2 3.25Å; F363-V367 PolarHBondContact O-N 3.06Å; F363-V367 VanDerWaalsContact O-N 3.07Å
364K90.9Very high88.9Confident74 Ų7481.2 Ų81.232%0.32238%0.378SS..Hα-helixtrans-63-45.9-179.3-173.3176-170.81700112F323 E362 L366 V367 H368F323-K364 PolarHBondContact O-NZ 3.29Å; E362-K364 PolarHBondContact O-N 3.2Å; K364-L366 VanDerWaalsContact C-N 3.34Å; K364-L366 PolarHBondContact O-N 2.94Å; K364-V367 PolarHBondContact O-N 3.15Å; K364-H368 PolarHBondContact O-CD2 2.97Å; K364-H368 PolarHBondContact O-N 3.18Å; K364-H368 VanDerWaalsContact O-N 3.08Å
365P92.9Very high88Confident72 Ų7275.3 Ų75.347%0.46836%0.36SS..Hα-helixtrans-55.6-41.8171-29.636.2000114.5T361 E362 V367 H368 Q369T361-P365 WeakPolarHBondContact O-CG 3.34Å; E362-P365 VanDerWaalsContact O-CD 3.3Å; E362-P365 WeakPolarHBondContact O-CD 3.45Å; P365-V367 PolarHBondContact O-N 3Å; P365-H368 PolarHBondContact O-N 3.19Å; P365-Q369 WeakPolarHBondContact O-CB 3.27Å; P365-Q369 PolarHBondContact O-N 3.32Å
366L94.6Very high86.6Confident63 Ų6376.7 Ų76.733%0.3337%0.373SS..Hα-helixtrans-63.8-39.1178.2-73.4169.3000112.3V298 W358 E362 F363 K364 Q369 Q370V298-L366 HydrophobicContact CG1-CB 3.88Å; V298-L366 HydrophobicContact CG1-CD1 4.47Å; W358-L366 HydrophobicContact CZ2-CD1 3.77Å; E362-L366 HydrophobicContact CB-CD1 4.42Å; E362-L366 WeakPolarHBondContact O-CB 3.42Å; E362-L366 VanDerWaalsContact O-CG 3.26Å; E362-L366 WeakPolarHBondContact O-CG 3.45Å; E362-L366 PolarHBondContact O-N 2.88Å; F363-L366 PolarHBondContact O-N 3.22Å; K364-L366 VanDerWaalsContact C-N 3.34Å; K364-L366 PolarHBondContact O-N 2.94Å; L366-Q369 PolarHBondContact O-N 3.28Å; L366-Q370 WeakPolarHBondContact O-CB 3.45Å; L366-Q370 PolarHBondContact O-N 2.87Å
367V91.9Very high84.7Confident0 Ų073.1 Ų73.10%037%0.368CS..Hα-helixtrans-63.3-44.3173.8175.10000110.9L291 V295 V298 F323 I325 F363 K364 P365 Q369 Q370 R371L291-V367 HydrophobicContact CD1-CG1 4.18Å; V295-V367 HydrophobicContact CG2-CG1 3.77Å; V295-V367 HydrophobicContact CG2-CG2 4.16Å; V298-V367 HydrophobicContact CB-CG2 4.11Å; V298-V367 HydrophobicContact CG1-CG2 4.24Å; V298-V367 HydrophobicContact CG2-CG2 4.02Å; F323-V367 HydrophobicContact CE2-CG1 4.28Å; F323-V367 HydrophobicContact CZ-CG1 4.06Å; I325-V367 HydrophobicContact CD1-CG1 4.49Å; I325-V367 HydrophobicContact CD1-CG2 4.08Å; F363-V367 HydrophobicContact CD2-CG2 4.2Å; F363-V367 HydrophobicContact CE2-CG2 3.9Å; F363-V367 HydrophobicContact CZ-CG2 4.37Å; F363-V367 WeakPolarHBondContact O-CG2 3.25Å; F363-V367 PolarHBondContact O-N 3.06Å; F363-V367 VanDerWaalsContact O-N 3.07Å; K364-V367 PolarHBondContact O-N 3.15Å; P365-V367 PolarHBondContact O-N 3Å; V367-Q369 VanDerWaalsContact C-N 3.35Å; V367-Q369 PolarHBondContact O-N 3.25Å; V367-Q370 PolarHBondContact O-N 3.35Å; V367-R371 PolarHBondContact O-N 2.94Å; V367-R371 VanDerWaalsContact O-N 3.08Å
368H87.9Confident82.4Confident70 Ų7069.5 Ų69.532%0.32436%0.359SS..Hα-helixtrans-61.8-42.2175.3-75.1-66.2000112.2F323 K364 P365 R371 Q372F323-H368 AromaticContact CE1-CE1 3.34Å; F323-H368 WeakPolarHBondContact CE1-CE1 3.37Å; F323-H368 AromaticContact CE1-ND1 3.87Å; F323-H368 AromaticContact CZ-CE1 3.43Å; F323-H368 VanDerWaalsContact CZ-CE1 3.43Å; F323-H368 WeakPolarHBondContact CZ-CE1 3.34Å; F323-H368 AromaticContact CZ-ND1 3.9Å; F323-H368 AromaticContact CZ-NE2 3.77Å; K364-H368 PolarHBondContact O-CD2 2.97Å; K364-H368 PolarHBondContact O-N 3.18Å; K364-H368 VanDerWaalsContact O-N 3.08Å; P365-H368 PolarHBondContact O-N 3.19Å; H368-R371 PolarHBondContact O-N 2.94Å; H368-Q372 WeakPolarHBondContact O-CG 3.23Å; H368-Q372 PolarHBondContact O-N 3.28Å
369Q87.5Confident80.3Confident105 Ų10573 Ų7349%0.49140%0.399SS..Hα-helixtrans-63.3-44.3176.7-175.3-177.2-3.600111.6P365 L366 V367 R371 Q372 I373P365-Q369 WeakPolarHBondContact O-CB 3.27Å; P365-Q369 PolarHBondContact O-N 3.32Å; L366-Q369 PolarHBondContact O-N 3.28Å; V367-Q369 VanDerWaalsContact C-N 3.35Å; V367-Q369 PolarHBondContact O-N 3.25Å; Q369-R371 VanDerWaalsContact C-N 3.26Å; Q369-R371 PolarHBondContact O-N 2.82Å; Q369-Q372 PolarHBondContact O-N 2.99Å; Q369-I373 HydrophobicContact CG-CD1 4.05Å; Q369-I373 VanDerWaalsContact O-CG1 3.31Å; Q369-I373 WeakPolarHBondContact O-CG1 3.31Å; Q369-I373 PolarHBondContact O-N 2.89Å
370Q86Confident78.4Confident71 Ų7179.7 Ų79.733%0.33242%0.421SS..Hα-helixtrans-56.4-43.5176-176.865.33300111.1E294 V298 L366 V367 I373 L374E294-Q370 HydrophobicContact CB-CG 4.42Å; E294-Q370 HydrophobicContact CG-CG 4.44Å; V298-Q370 HydrophobicContact CG2-CB 4.16Å; V298-Q370 HydrophobicContact CG2-CG 4.44Å; L366-Q370 WeakPolarHBondContact O-CB 3.45Å; L366-Q370 PolarHBondContact O-N 2.87Å; V367-Q370 PolarHBondContact O-N 3.35Å; Q370-I373 PolarHBondContact O-N 3.36Å; Q370-L374 WeakPolarHBondContact O-CG 3.05Å; Q370-L374 PolarHBondContact O-N 3.47Å
371R82.8Confident77.2Confident26 Ų2674.5 Ų74.510%0.09840%0.397CS..Hα-helixtrans-66.3-42.5176.8-169.7173.2-177.6136.7-5.7112.6M262 E294 I319 V367 H368 Q369 I373 L374 L375M262-R371 PolarHBondContact O-NH2 2.95Å; E294-R371 WeakPolarHBondContact OE2-CB 3.45Å; E294-R371 IonicContact OE2-NH1 3.99Å; I319-R371 VanDerWaalsContact O-CZ 3.26Å; I319-R371 PolarHBondContact O-NH1 3.42Å; I319-R371 PolarHBondContact O-NH2 3.32Å; V367-R371 PolarHBondContact O-N 2.94Å; V367-R371 VanDerWaalsContact O-N 3.08Å; H368-R371 PolarHBondContact O-N 2.94Å; Q369-R371 VanDerWaalsContact C-N 3.26Å; Q369-R371 PolarHBondContact O-N 2.82Å; R371-I373 VanDerWaalsContact C-N 3.34Å; R371-I373 PolarHBondContact O-N 2.92Å; R371-L374 PolarHBondContact O-N 3.42Å; R371-L375 HydrophobicContact CG-CD1 4.32Å; R371-L375 WeakPolarHBondContact O-CG 3.32Å; R371-L375 PolarHBondContact O-N 2.92Å
372Q80.1Confident76.4Confident126 Ų12671.5 Ų71.559%0.58938%0.38SS*.Hα-helixtrans-62.3-40.8176.5-75.8177.8-9.200112.2H368 Q369 L374 L375 S376H368-Q372 WeakPolarHBondContact O-CG 3.23Å; H368-Q372 PolarHBondContact O-N 3.28Å; Q369-Q372 PolarHBondContact O-N 2.99Å; Q372-L374 VanDerWaalsContact C-N 3.28Å; Q372-L374 PolarHBondContact O-N 3.48Å; Q372-L375 WeakPolarHBondContact O-CB 3.44Å; Q372-L375 PolarHBondContact O-N 3.26Å; Q372-L375 VanDerWaalsContact O-N 3.12Å; Q372-S376 WeakPolarHBondContact O-CB 3.28Å; Q372-S376 PolarHBondContact O-N 3.06Å; Q372-S376 PolarHBondContact O-OG 2.72Å
373I79.7Confident75.9Confident65 Ų6567.3 Ų67.333%0.33336%0.361SS..Hα-helixtrans-58.7-42175.8-72.5166.2000110.9Q369 Q370 R371 L375 N377Q369-I373 HydrophobicContact CG-CD1 4.05Å; Q369-I373 VanDerWaalsContact O-CG1 3.31Å; Q369-I373 WeakPolarHBondContact O-CG1 3.31Å; Q369-I373 PolarHBondContact O-N 2.89Å; Q370-I373 PolarHBondContact O-N 3.36Å; R371-I373 VanDerWaalsContact C-N 3.34Å; R371-I373 PolarHBondContact O-N 2.92Å; I373-L375 VanDerWaalsContact C-N 3.34Å; I373-N377 VanDerWaalsContact O-CB 3.31Å; I373-N377 WeakPolarHBondContact O-CB 3.41Å; I373-N377 PolarHBondContact O-N 2.86Å; I373-N377 VanDerWaalsContact O-N 3.1Å
374L72.3Confident75.7Confident57 Ų5773.1 Ų73.130%0.29839%0.391SS..Hα-helixtrans-67.4-36177.5-67.8173.1000111.9E294 Q370 R371 Q372 T378E294-L374 HydrophobicContact CG-CD1 4.08Å; Q370-L374 WeakPolarHBondContact O-CG 3.05Å; Q370-L374 PolarHBondContact O-N 3.47Å; R371-L374 PolarHBondContact O-N 3.42Å; Q372-L374 VanDerWaalsContact C-N 3.28Å; Q372-L374 PolarHBondContact O-N 3.48Å; L374-T378 PolarHBondContact O-OG1 3.08Å
375L68.3Low75.6Confident75 Ų7571 Ų7139%0.39339%0.386SS..Hα-helixtrans-69.9-41.5175-73.7165.3000113M262 R371 Q372 I373M262-L375 HydrophobicContact CB-CD2 4Å; M262-L375 HydrophobicContact CE-CD1 4.39Å; M262-L375 HydrophobicContact CE-CD2 3.39Å; M262-L375 HydrophobicContact CE-CG 3.56Å; M262-L375 HydrophobicContact CG-CD2 4.38Å; M262-L375 HydrophobicContact SD-CD2 3.53Å; M262-L375 VanDerWaalsContact SD-CD2 3.53Å; M262-L375 HydrophobicContact SD-CG 4.29Å; R371-L375 HydrophobicContact CG-CD1 4.32Å; R371-L375 WeakPolarHBondContact O-CG 3.32Å; R371-L375 PolarHBondContact O-N 2.92Å; Q372-L375 WeakPolarHBondContact O-CB 3.44Å; Q372-L375 PolarHBondContact O-N 3.26Å; Q372-L375 VanDerWaalsContact O-N 3.12Å; I373-L375 VanDerWaalsContact C-N 3.34Å
376S63.6Low75.5Confident84 Ų8467.7 Ų67.759%0.58737%0.365SS*.Hα-helixtrans-86.3-35.2-169.768.90000114.4Q372Q372-S376 WeakPolarHBondContact O-CB 3.28Å; Q372-S376 PolarHBondContact O-N 3.06Å; Q372-S376 PolarHBondContact O-OG 2.72Å
377N49.7Very low75.4Confident114 Ų11464.9 Ų64.961%0.6135%0.35SS*.SBendtrans-94.5-3.3-160.6-74.8-7000115.7I373I373-N377 VanDerWaalsContact O-CB 3.31Å; I373-N377 WeakPolarHBondContact O-CB 3.41Å; I373-N377 PolarHBondContact O-N 2.86Å; I373-N377 VanDerWaalsContact O-N 3.1Å
378T47.1Very low75.5Confident75 Ų7569.1 Ų69.146%0.4637%0.373SS..  trans-135.7-21.8-168.350.50000117.2L374 R380L374-T378 PolarHBondContact O-OG1 3.08Å; T378-R380 WeakPolarHBondContact O-CG 3.05Å; T378-R380 PolarHBondContact O-N 3.22Å; T378-R380 PolarHBondContact OG1-O 2.86Å
379G49.8Very low75.8Confident85 Ų8565.9 Ų65.988%0.87636%0.358SS*.SBendtrans53.58.2-164.400000112.9
380R53.8Low76.2Confident175 Ų17560.9 Ų60.966%0.6633%0.334SS*.  trans-110.9101.6174.1-60.7179.3179.9-167.9-3.3101.5L142 T378L142-R380 HydrophobicContact CD2-CB 3.69Å; L142-R380 HydrophobicContact CD2-CG 3.69Å; T378-R380 WeakPolarHBondContact O-CG 3.05Å; T378-R380 PolarHBondContact O-N 3.22Å; T378-R380 PolarHBondContact OG1-O 2.86Å
381E61.5Low76.7Confident51 Ų5158.3 Ų58.324%0.23832%0.323CS..  trans-47.1167.5167.1-68.9157.1-156.600109.7D216 M262 A383D216-E381 WeakPolarHBondContact CB-OE1 3.28Å; D216-E381 VanDerWaalsContact OD2-CD 3.28Å; M262-E381 HydrophobicContact CG-CB 4.36Å; M262-E381 HydrophobicContact CG-CG 4.42Å; M262-E381 HydrophobicContact SD-CB 4.01Å; M262-E381 HydrophobicContact SD-CG 4.23Å; E381-A383 PolarHBondContact O-N 3.41Å
382A74.6Confident77.2Confident14 Ų1459 Ų5912%0.11633%0.327CS..SBendtrans-65.848.1174.100000112.9M262 Q290 I384 S385 A386M262-A382 HydrophobicContact CE-CB 4.39Å; M262-A382 HydrophobicContact SD-CB 4.38Å; Q290-A382 HydrophobicContact CG-CB 4.3Å; A382-I384 PolarHBondContact O-N 3.16Å; A382-S385 CarbonylContact O-C 3.57Å; A382-S385 WeakPolarHBondContact O-CB 3.35Å; A382-S385 PolarHBondContact O-N 3.1Å; A382-S385 VanDerWaalsContact O-N 3.09Å; A382-A386 WeakPolarHBondContact O-CB 3.28Å; A382-A386 PolarHBondContact O-N 2.96Å
383A85.8Confident77.9Confident2 Ų253.2 Ų53.22%0.01730%0.3CS..Hα-helixtrans-62-40.5-16600000112.6L142 T143 I146 E381 A386 T387L142-A383 HydrophobicContact CB-CB 4.2Å; L142-A383 HydrophobicContact CD2-CB 4.12Å; L142-A383 HydrophobicContact CG-CB 3.96Å; T143-A383 VanDerWaalsContact OG1-CA 3.27Å; T143-A383 WeakPolarHBondContact OG1-CA 3.24Å; T143-A383 VanDerWaalsContact OG1-CB 3.31Å; T143-A383 WeakPolarHBondContact OG1-CB 3.34Å; I146-A383 HydrophobicContact CD1-CB 4.05Å; E381-A383 PolarHBondContact O-N 3.41Å; A383-A386 PolarHBondContact O-N 2.91Å; A383-T387 VanDerWaalsContact O-CB 3.3Å; A383-T387 WeakPolarHBondContact O-CB 3.46Å; A383-T387 PolarHBondContact O-N 3.35Å; A383-T387 PolarHBondContact O-OG1 3.43Å
384I89.1Confident78.6Confident132 Ų13250.1 Ų50.168%0.67729%0.285SS*.Hα-helixtrans-65-46.1175.4-62.2169.7000110.2I146 A382 A386 T387 N388I146-I384 HydrophobicContact CD1-CG1 3.87Å; A382-I384 PolarHBondContact O-N 3.16Å; I384-A386 VanDerWaalsContact C-N 3.34Å; I384-T387 PolarHBondContact O-N 3.38Å; I384-N388 PolarHBondContact O-N 3.01Å; I384-N388 VanDerWaalsContact O-N 3.1Å
385S88.6Confident79.6Confident29 Ų2949.5 Ų49.520%0.20328%0.279CS..Hα-helixtrans-67.8-37.1179-165.40000111.6N293 A382 G389N293-S385 PolarHBondContact ND2-OG 3.18Å; N293-S385 VanDerWaalsContact ND2-OG 3.11Å; A382-S385 CarbonylContact O-C 3.57Å; A382-S385 WeakPolarHBondContact O-CB 3.35Å; A382-S385 PolarHBondContact O-N 3.1Å; A382-S385 VanDerWaalsContact O-N 3.09Å; S385-G389 PolarHBondContact O-N 3.38Å
386A90.6Very high80.7Confident3 Ų346 Ų463%0.02526%0.261CS..Hα-helixtrans-63.7-49.2175.300000111.6T143 Q290 A382 A383 I384 N388 G389 I390T143-A386 HydrophobicContact CG2-CB 3.72Å; Q290-A386 HydrophobicContact CG-CB 4.17Å; Q290-A386 VanDerWaalsContact NE2-CA 3.31Å; A382-A386 WeakPolarHBondContact O-CB 3.28Å; A382-A386 PolarHBondContact O-N 2.96Å; A383-A386 PolarHBondContact O-N 2.91Å; I384-A386 VanDerWaalsContact C-N 3.34Å; A386-N388 VanDerWaalsContact C-N 3.33Å; A386-N388 PolarHBondContact O-N 3.27Å; A386-G389 WeakPolarHBondContact O-CA 3.37Å; A386-G389 PolarHBondContact O-N 3.22Å; A386-I390 WeakPolarHBondContact O-CG1 3.41Å; A386-I390 PolarHBondContact O-N 2.89Å
387T93.6Very high82.1Confident4 Ų443 Ų433%0.02524%0.237CC..Hα-helixtrans-54.7-49.2175.8-63.10000110.8T143 I146 L147 F150 A383 I384 G389 I390 L391T143-T387 PolarHBondContact O-OG1 2.98Å; I146-T387 HydrophobicContact CG2-CG2 4.15Å; L147-T387 HydrophobicContact CB-CG2 4.05Å; L147-T387 HydrophobicContact CD1-CG2 3.92Å; F150-T387 HydrophobicContact CD2-CG2 4.16Å; A383-T387 VanDerWaalsContact O-CB 3.3Å; A383-T387 WeakPolarHBondContact O-CB 3.46Å; A383-T387 PolarHBondContact O-N 3.35Å; A383-T387 PolarHBondContact O-OG1 3.43Å; I384-T387 PolarHBondContact O-N 3.38Å; T387-G389 VanDerWaalsContact C-N 3.27Å; T387-G389 PolarHBondContact O-N 3.38Å; T387-I390 PolarHBondContact O-N 3.07Å; T387-L391 HydrophobicContact CG2-CD1 3.92Å; T387-L391 HydrophobicContact CG2-CG 4.42Å; T387-L391 WeakPolarHBondContact O-CG 3.48Å; T387-L391 PolarHBondContact O-N 3.02Å
388N92.8Very high84Confident89 Ų8940.6 Ų40.648%0.47622%0.222SC..Hα-helixtrans-63.2-34.1178.4-174.655.8000112.7I384 A386 Q392I384-N388 PolarHBondContact O-N 3.01Å; I384-N388 VanDerWaalsContact O-N 3.1Å; A386-N388 VanDerWaalsContact C-N 3.33Å; A386-N388 PolarHBondContact O-N 3.27Å; N388-Q392 VanDerWaalsContact O-CB 3.28Å; N388-Q392 WeakPolarHBondContact O-CB 3.24Å; N388-Q392 PolarHBondContact O-N 3.2Å
389G94.6Very high86Confident1 Ų138.9 Ų38.91%0.0122%0.22CC..Hα-helixtrans-63.9-46.9172.800000113.7S289 S385 A386 T387 Q392 V393S289-G389 WeakPolarHBondContact OG-CA 3.31Å; S385-G389 PolarHBondContact O-N 3.38Å; A386-G389 WeakPolarHBondContact O-CA 3.37Å; A386-G389 PolarHBondContact O-N 3.22Å; T387-G389 VanDerWaalsContact C-N 3.27Å; T387-G389 PolarHBondContact O-N 3.38Å; G389-Q392 WeakPolarHBondContact O-CB 3.25Å; G389-Q392 PolarHBondContact O-N 3.35Å; G389-V393 PolarHBondContact O-N 3.42Å
390I96.1Very high87.7Confident0 Ų038 Ų380%020%0.204CC..Hα-helixtrans-60.1-50177.3-67.6161.3000109.8T143 L147 I212 L214 I258 I287 A386 T387 Q392 V393 L394T143-I390 HydrophobicContact CG2-CD1 4.15Å; L147-I390 HydrophobicContact CD1-CB 4.32Å; L147-I390 HydrophobicContact CD1-CG2 3.83Å; L147-I390 HydrophobicContact CD2-CD1 4.11Å; L147-I390 HydrophobicContact CD2-CG2 3.95Å; I212-I390 HydrophobicContact CD1-CG2 3.95Å; I212-I390 HydrophobicContact CG2-CD1 4.08Å; I212-I390 HydrophobicContact CG2-CG2 4.2Å; L214-I390 HydrophobicContact CD2-CD1 3.65Å; I258-I390 HydrophobicContact CD1-CG2 4.09Å; I258-I390 HydrophobicContact CG2-CG1 4.17Å; I287-I390 HydrophobicContact CG1-CG1 4.15Å; A386-I390 WeakPolarHBondContact O-CG1 3.41Å; A386-I390 PolarHBondContact O-N 2.89Å; T387-I390 PolarHBondContact O-N 3.07Å; I390-Q392 VanDerWaalsContact C-N 3.31Å; I390-Q392 PolarHBondContact O-N 2.99Å; I390-V393 PolarHBondContact O-N 2.74Å; I390-L394 HydrophobicContact CG2-CD1 4.01Å; I390-L394 WeakPolarHBondContact O-CG 3.49Å; I390-L394 PolarHBondContact O-N 2.97Å
391L95.4Very high89.3Confident17 Ų1732.6 Ų32.69%0.08918%0.184CC..Hα-helixtrans-61.3-38.9177.1-67.2170000112.1L147 F150 A156 T387 L394 K395L147-L391 HydrophobicContact CD1-CD2 4.01Å; L147-L391 HydrophobicContact CD1-CG 4.08Å; F150-L391 HydrophobicContact CB-CD1 3.51Å; F150-L391 HydrophobicContact CB-CD2 3.99Å; F150-L391 HydrophobicContact CB-CG 4.35Å; F150-L391 HydrophobicContact CG-CD1 4.07Å; A156-L391 HydrophobicContact CB-CD2 4.16Å; T387-L391 HydrophobicContact CG2-CD1 3.92Å; T387-L391 HydrophobicContact CG2-CG 4.42Å; T387-L391 WeakPolarHBondContact O-CG 3.48Å; T387-L391 PolarHBondContact O-N 3.02Å; L391-L394 PolarHBondContact O-N 2.87Å; L391-K395 VanDerWaalsContact O-CB 3.29Å; L391-K395 WeakPolarHBondContact O-CB 3.45Å; L391-K395 WeakPolarHBondContact O-CG 3.34Å; L391-K395 PolarHBondContact O-N 3.08Å
392Q94Very high90.2Very high41 Ų4132.2 Ų32.219%0.19219%0.193CC..Hα-helixtrans-60.5-44.7175.3171169.588.200111.4N388 G389 I390 A396 Y401 F407N388-Q392 VanDerWaalsContact O-CB 3.28Å; N388-Q392 WeakPolarHBondContact O-CB 3.24Å; N388-Q392 PolarHBondContact O-N 3.2Å; G389-Q392 WeakPolarHBondContact O-CB 3.25Å; G389-Q392 PolarHBondContact O-N 3.35Å; I390-Q392 VanDerWaalsContact C-N 3.31Å; I390-Q392 PolarHBondContact O-N 2.99Å; Q392-A396 WeakPolarHBondContact O-CB 3.42Å; Q392-A396 PolarHBondContact O-N 3.45Å; Q392-Y401 HydrophobicContact CG-CE2 4.1Å; Q392-Y401 WeakPolarHBondContact O-CE2 3.28Å; Q392-F407 HydrophobicContact CG-CD1 4.15Å; Q392-F407 HydrophobicContact CG-CD2 4.43Å; Q392-F407 HydrophobicContact CG-CE1 3.92Å; Q392-F407 HydrophobicContact CG-CE2 4.22Å; Q392-F407 HydrophobicContact CG-CG 4.41Å; Q392-F407 HydrophobicContact CG-CZ 3.94Å
393V95.1Very high90.3Very high4 Ų435.8 Ų35.82%0.02422%0.216CC..Hα-helixtrans-67.1-43.9178.2168.80000111.7I258 V285 I287 G389 I390 K395 A396 W397 F407 W431I258-V393 HydrophobicContact CD1-CG1 4.14Å; I258-V393 HydrophobicContact CG1-CG1 4.21Å; V285-V393 HydrophobicContact CG2-CG1 3.69Å; I287-V393 HydrophobicContact CD1-CB 4.06Å; I287-V393 HydrophobicContact CD1-CG2 3.47Å; I287-V393 VanDerWaalsContact CD1-CG2 3.47Å; G389-V393 PolarHBondContact O-N 3.42Å; I390-V393 PolarHBondContact O-N 2.74Å; V393-K395 VanDerWaalsContact C-N 3.35Å; V393-K395 PolarHBondContact O-N 2.8Å; V393-A396 WeakPolarHBondContact O-CB 3.35Å; V393-A396 PolarHBondContact O-N 2.8Å; V393-A396 VanDerWaalsContact O-N 3.08Å; V393-W397 HydrophobicContact CG1-CD2 4.13Å; V393-W397 HydrophobicContact CG1-CE3 3.72Å; V393-W397 HydrophobicContact CG1-CH2 3.84Å; V393-W397 HydrophobicContact CG1-CZ2 4.22Å; V393-W397 HydrophobicContact CG1-CZ3 3.6Å; V393-W397 PolarHBondContact O-N 3.42Å; V393-F407 HydrophobicContact CG2-CE2 4.03Å; V393-W431 HydrophobicContact CG1-CH2 4.49Å; V393-W431 HydrophobicContact CG1-CZ2 4.44Å
394L94.6Very high90.2Very high1 Ų142.9 Ų42.91%0.00525%0.253CS..Hα-helixtrans-58.4-46.3175.7-71169.9000111.7L151 V210 I212 I258 I390 L391 A396 W397 H398L151-L394 HydrophobicContact CD1-CD1 3.39Å; V210-L394 HydrophobicContact CG1-CD2 3.95Å; I212-L394 HydrophobicContact CD1-CD1 4.4Å; I258-L394 HydrophobicContact CD1-CD1 4.49Å; I258-L394 HydrophobicContact CD1-CD2 3.78Å; I258-L394 HydrophobicContact CD1-CG 3.79Å; I390-L394 HydrophobicContact CG2-CD1 4.01Å; I390-L394 WeakPolarHBondContact O-CG 3.49Å; I390-L394 PolarHBondContact O-N 2.97Å; L391-L394 PolarHBondContact O-N 2.87Å; L394-A396 VanDerWaalsContact C-N 3.26Å; L394-A396 PolarHBondContact O-N 3.02Å; L394-W397 HydrophobicContact CD2-CE3 4.09Å; L394-W397 HydrophobicContact CD2-CZ3 4.26Å; L394-W397 PolarHBondContact O-N 3.12Å; L394-H398 PolarHBondContact O-N 3.49Å; L394-H398 VanDerWaalsContact O-N 3.15Å; L394-H398 PolarHBondContact O-ND1 3.27Å
395K92.9Very high90.2Very high43 Ų4340 Ų4019%0.18724%0.236CC..Hα-helixtrans-58.6-38.5174.6-76.6174.4-177.7-1660112.1E155 L391 V393 H398 G399 A400 Y401E155-K395 WeakPolarHBondContact O-CG 3.48Å; E155-K395 IonicContact OE2-NZ 2.83Å; E155-K395 PolarHBondContact OE2-NZ 3.26Å; L391-K395 VanDerWaalsContact O-CB 3.29Å; L391-K395 WeakPolarHBondContact O-CB 3.45Å; L391-K395 WeakPolarHBondContact O-CG 3.34Å; L391-K395 PolarHBondContact O-N 3.08Å; V393-K395 VanDerWaalsContact C-N 3.35Å; V393-K395 PolarHBondContact O-N 2.8Å; K395-H398 CarbonylContact O-C 3.58Å; K395-H398 PolarHBondContact O-N 2.79Å; K395-G399 PolarHBondContact O-N 3.38Å; K395-A400 HydrophobicContact CB-CB 3.9Å; K395-A400 WeakPolarHBondContact O-CB 3.29Å; K395-A400 PolarHBondContact O-N 3.29Å; K395-Y401 HydrophobicContact CB-CE2 4.08Å
396A92.3Very high90.5Very high1 Ų139.3 Ų39.31%0.00823%0.229CC..Hα-helixtrans-68.6-39.1178.300000112.8Q392 V393 L394 H398 G399 Y401 F407 W431Q392-A396 WeakPolarHBondContact O-CB 3.42Å; Q392-A396 PolarHBondContact O-N 3.45Å; V393-A396 WeakPolarHBondContact O-CB 3.35Å; V393-A396 PolarHBondContact O-N 2.8Å; V393-A396 VanDerWaalsContact O-N 3.08Å; L394-A396 VanDerWaalsContact C-N 3.26Å; L394-A396 PolarHBondContact O-N 3.02Å; A396-H398 PolarHBondContact O-N 3.01Å; A396-G399 PolarHBondContact O-N 2.77Å; A396-Y401 HydrophobicContact CB-CD2 3.65Å; A396-Y401 HydrophobicContact CB-CE2 3.87Å; A396-F407 HydrophobicContact CB-CE1 4.25Å; A396-F407 HydrophobicContact CB-CZ 3.64Å; A396-W431 HydrophobicContact CB-CB 4.2Å; A396-W431 HydrophobicContact CB-CD2 3.51Å; A396-W431 HydrophobicContact CB-CE3 4.03Å; A396-W431 HydrophobicContact CB-CG 3.6Å; A396-W431 HydrophobicContact CB-CZ2 4.29Å
397W91.9Very high90.6Very high21 Ų2140 Ų408%0.0823%0.231CC..Hα-helixtrans-61.5-32172-86.3-51.8000112.9K256 I258 V285 V393 L394 G399 W431 G434K256-W397 HydrophobicContact CB-CD2 4.12Å; K256-W397 HydrophobicContact CB-CE3 3.76Å; K256-W397 HydrophobicContact CB-CH2 3.71Å; K256-W397 HydrophobicContact CB-CZ2 4.09Å; K256-W397 HydrophobicContact CB-CZ3 3.49Å; K256-W397 VanDerWaalsContact CB-CZ3 3.49Å; K256-W397 HydrophobicContact CD-CD2 4.04Å; K256-W397 HydrophobicContact CD-CG 4.19Å; K256-W397 HydrophobicContact CD-CZ2 4.3Å; K256-W397 HydrophobicContact CG-CD2 4.04Å; K256-W397 HydrophobicContact CG-CE3 4.06Å; K256-W397 HydrophobicContact CG-CG 4.38Å; K256-W397 HydrophobicContact CG-CZ3 4.29Å; I258-W397 HydrophobicContact CD1-CE3 4.35Å; I258-W397 HydrophobicContact CD1-CH2 4.17Å; I258-W397 HydrophobicContact CD1-CZ3 3.45Å; I258-W397 VanDerWaalsContact CD1-CZ3 3.45Å; I258-W397 HydrophobicContact CG1-CH2 3.48Å; I258-W397 VanDerWaalsContact CG1-CH2 3.48Å; I258-W397 HydrophobicContact CG1-CZ3 3.29Å; V285-W397 HydrophobicContact CB-CZ2 4.45Å; V285-W397 HydrophobicContact CG1-CZ2 4.03Å; V285-W397 HydrophobicContact CG2-CH2 3.35Å; V285-W397 HydrophobicContact CG2-CZ2 3.56Å; V285-W397 HydrophobicContact CG2-CZ3 4.33Å; V393-W397 HydrophobicContact CG1-CD2 4.13Å; V393-W397 HydrophobicContact CG1-CE3 3.72Å; V393-W397 HydrophobicContact CG1-CH2 3.84Å; V393-W397 HydrophobicContact CG1-CZ2 4.22Å; V393-W397 HydrophobicContact CG1-CZ3 3.6Å; V393-W397 PolarHBondContact O-N 3.42Å; L394-W397 HydrophobicContact CD2-CE3 4.09Å; L394-W397 HydrophobicContact CD2-CZ3 4.26Å; L394-W397 PolarHBondContact O-N 3.12Å; W397-G399 VanDerWaalsContact C-N 3.28Å; W397-G399 PolarHBondContact O-N 2.76Å; W397-W431 AromaticContact CD1-CH2 3.73Å; W397-W431 AromaticContact CD1-CZ3 3.21Å; W397-W431 HydrophobicContact CD2-CH2 4.14Å; W397-W431 HydrophobicContact CD2-CZ3 4.31Å; W397-W431 AromaticContact CE2-CH2 3.7Å; W397-W431 HydrophobicContact CG-CH2 4.1Å; W397-W431 AromaticContact CG-CZ3 3.8Å; W397-W431 HydrophobicContact CG-CZ3 3.8Å; W397-W431 HydrophobicContact CZ2-CH2 4.36Å; W397-W431 AromaticContact NE1-CH2 3.38Å; W397-W431 AromaticContact NE1-CZ3 3.28Å; W397-W431 VanDerWaalsContact NE1-CZ3 3.28Å; W397-G434 VanDerWaalsContact CD1-O 3.26Å; W397-G434 WeakPolarHBondContact O-CA 3.41Å
398H89.8Confident90.7Very high64 Ų6440 Ų4030%0.29623%0.231SC..THydrogen-bonded Turntrans-86.88.1174.3-63.294.8000113.7A156 F157 P158 L394 K395 A396 A400A156-H398 PolarHBondContact O-CE1 2.93Å; A156-H398 PolarHBondContact O-ND1 3.21Å; A156-H398 VanDerWaalsContact O-ND1 3.12Å; F157-H398 AromaticContact CD1-CE1 3.48Å; F157-H398 VanDerWaalsContact CD1-CE1 3.48Å; F157-H398 WeakPolarHBondContact CD1-CE1 3.29Å; F157-H398 AromaticContact CD1-NE2 3.64Å; F157-H398 AromaticContact CE1-CE1 3.89Å; P158-H398 HydrophobicContact CG-CB 3.88Å; L394-H398 PolarHBondContact O-N 3.49Å; L394-H398 VanDerWaalsContact O-N 3.15Å; L394-H398 PolarHBondContact O-ND1 3.27Å; K395-H398 CarbonylContact O-C 3.58Å; K395-H398 PolarHBondContact O-N 2.79Å; A396-H398 PolarHBondContact O-N 3.01Å; H398-A400 PolarHBondContact O-N 3.42Å
399G88.3Confident90.9Very high40 Ų4035.8 Ų35.841%0.41221%0.209SC..THydrogen-bonded Turntrans75.221.2174.800000115.2K395 A396 W397 Y401K395-G399 PolarHBondContact O-N 3.38Å; A396-G399 PolarHBondContact O-N 2.77Å; W397-G399 VanDerWaalsContact C-N 3.28Å; W397-G399 PolarHBondContact O-N 2.76Å; G399-Y401 PolarHBondContact O-N 2.97Å; G399-Y401 VanDerWaalsContact O-N 3.12Å
400A87.4Confident91Very high65 Ų6535.8 Ų35.854%0.53721%0.209SC..  trans-67.7-9.4-179.500000114.5K395 H398K395-A400 HydrophobicContact CB-CB 3.9Å; K395-A400 WeakPolarHBondContact O-CB 3.29Å; K395-A400 PolarHBondContact O-N 3.29Å; H398-A400 PolarHBondContact O-N 3.42Å
401Y86.4Confident90.9Very high63 Ų6335.8 Ų35.825%0.24721%0.209CC..SBendtrans-116.6143.7-176.7-59.2-57.1000112.3Q392 K395 A396 G399 K405 F407Q392-Y401 HydrophobicContact CG-CE2 4.1Å; Q392-Y401 WeakPolarHBondContact O-CE2 3.28Å; K395-Y401 HydrophobicContact CB-CE2 4.08Å; A396-Y401 HydrophobicContact CB-CD2 3.65Å; A396-Y401 HydrophobicContact CB-CE2 3.87Å; G399-Y401 PolarHBondContact O-N 2.97Å; G399-Y401 VanDerWaalsContact O-N 3.12Å; Y401-K405 HydrophobicContact CD1-CG 4.02Å; Y401-K405 HydrophobicContact CG-CB 4.46Å; Y401-K405 HydrophobicContact CG-CG 4.06Å; Y401-F407 HydrophobicContact CD2-CE1 4.04Å; Y401-F407 HydrophobicContact CE2-CE1 4.05Å
402G80.1Confident90.8Very high42 Ų4235.2 Ų35.243%0.43321%0.206SC..  trans-78.3171.2172.200000113.4D404 K405G402-D404 PolarHBondContact O-N 3.43Å; G402-D404 VanDerWaalsContact O-N 3.15Å; G402-K405 PolarHBondContact O-N 3.38Å; G402-K405 VanDerWaalsContact O-N 3.09Å
403P77.6Confident90.5Very high90 Ų9033.3 Ų33.358%0.58420%0.197SC*.THydrogen-bonded Turntrans-64.4-23.6-171.826.7-35.9000114.2K405P403-K405 VanDerWaalsContact C-N 3.28Å; P403-K405 PolarHBondContact O-N 3.08Å
404D83.2Confident89.5Confident150 Ų15036.5 Ų36.580%0.80222%0.217SC*.THydrogen-bonded Turntrans-80.2-11-179.6-60.4-38.8000113.1G402G402-D404 PolarHBondContact O-N 3.43Å; G402-D404 VanDerWaalsContact O-N 3.15Å
405K90Very high88Confident72 Ų7242 Ų4231%0.31325%0.246SC..  trans-90.2121.5-178.2-169.864.7178.21730110.2Y401 G402 P403Y401-K405 HydrophobicContact CD1-CG 4.02Å; Y401-K405 HydrophobicContact CG-CB 4.46Å; Y401-K405 HydrophobicContact CG-CG 4.06Å; G402-K405 PolarHBondContact O-N 3.38Å; G402-K405 VanDerWaalsContact O-N 3.09Å; P403-K405 VanDerWaalsContact C-N 3.28Å; P403-K405 PolarHBondContact O-N 3.08Å
406F93.3Very high87Confident14 Ų1441.2 Ų41.26%0.06124%0.243CC..EExtended strand (participates in β ladder)trans-129.5160.4172.666.9-91.4000111.4D312 I314 W329 P428 V429 T430 L439D312-F406 HydrophobicContact CB-CE1 4.31Å; D312-F406 HydrophobicContact CB-CE2 4.41Å; D312-F406 HydrophobicContact CB-CZ 3.69Å; I314-F406 HydrophobicContact CD1-CE2 3.93Å; I314-F406 HydrophobicContact CD1-CZ 4.44Å; I314-F406 HydrophobicContact CG1-CD2 4.41Å; I314-F406 HydrophobicContact CG1-CE2 3.63Å; I314-F406 HydrophobicContact CG1-CZ 4.45Å; W329-F406 HydrophobicContact CB-CZ 4.12Å; W329-F406 HydrophobicContact CE3-CE1 4.14Å; W329-F406 HydrophobicContact CE3-CZ 4.2Å; F406-P428 HydrophobicContact CD2-CB 4.21Å; F406-V429 WeakPolarHBondContact CA-O 3.27Å; F406-V429 WeakPolarHBondContact CB-O 3.39Å; F406-T430 HydrophobicContact CB-CG2 3.89Å; F406-L439 HydrophobicContact CB-CD1 4.32Å; F406-L439 HydrophobicContact CB-CD2 4.48Å; F406-L439 HydrophobicContact CD1-CD1 4.06Å; F406-L439 HydrophobicContact CD1-CD2 3.91Å; F406-L439 HydrophobicContact CD2-CD2 3.9Å; F406-L439 HydrophobicContact CE1-CD2 4.01Å; F406-L439 HydrophobicContact CE2-CD2 4.02Å; F406-L439 HydrophobicContact CG-CD1 4.26Å; F406-L439 HydrophobicContact CG-CD2 3.83Å; F406-L439 HydrophobicContact CZ-CD2 4.04Å
407F93.3Very high86Confident17 Ų1744.2 Ų44.28%0.07526%0.255CS..EExtended strand (participates in β ladder)trans-153160.1171.142.1-90.2000109.4Q392 V393 A396 Y401 V409 V429 W431Q392-F407 HydrophobicContact CG-CD1 4.15Å; Q392-F407 HydrophobicContact CG-CD2 4.43Å; Q392-F407 HydrophobicContact CG-CE1 3.92Å; Q392-F407 HydrophobicContact CG-CE2 4.22Å; Q392-F407 HydrophobicContact CG-CG 4.41Å; Q392-F407 HydrophobicContact CG-CZ 3.94Å; V393-F407 HydrophobicContact CG2-CE2 4.03Å; A396-F407 HydrophobicContact CB-CE1 4.25Å; A396-F407 HydrophobicContact CB-CZ 3.64Å; Y401-F407 HydrophobicContact CD2-CE1 4.04Å; Y401-F407 HydrophobicContact CE2-CE1 4.05Å; F407-V409 HydrophobicContact CD2-CG2 3.36Å; F407-V409 HydrophobicContact CE2-CG2 3.51Å; F407-V429 PolarHBondContact N-O 2.97Å; F407-V429 PolarHBondContact O-N 3.31Å; F407-W431 AromaticContact CE1-CD1 3.77Å; F407-W431 AromaticContact CE1-NE1 3.82Å; F407-W431 HydrophobicContact CE2-CZ2 4.47Å; F407-W431 AromaticContact CE2-NE1 3.33Å; F407-W431 VanDerWaalsContact CE2-NE1 3.33Å; F407-W431 AromaticContact CZ-CD1 3.43Å; F407-W431 VanDerWaalsContact CZ-CD1 3.43Å; F407-W431 AromaticContact CZ-CE2 3.88Å; F407-W431 HydrophobicContact CZ-CG 4.42Å; F407-W431 AromaticContact CZ-NE1 3.02Å
408S95.9Very high85.4Confident4 Ų449 Ų493%0.02829%0.291CS..EExtended strand (participates in β ladder)trans-80.1130.3178.6-54.70000110.2V315 A427V315-S408 PolarHBondContact N-OG 3.47Å; V315-S408 WeakPolarHBondContact O-CB 3.48Å; V315-S408 PolarHBondContact O-OG 2.88Å; S408-A427 WeakPolarHBondContact CA-O 3.38Å
409V96.6Very high85.1Confident2 Ų246 Ų461%0.01228%0.277CS..EExtended strand (participates in β ladder)trans-140.6143.1179.7-174.40000108.5V285 A286 F407 I411 S426 A427 V429V285-V409 HydrophobicContact CB-CG1 3.64Å; V285-V409 HydrophobicContact CG1-CG1 4.02Å; A286-V409 WeakPolarHBondContact O-CG1 3.28Å; F407-V409 HydrophobicContact CD2-CG2 3.36Å; F407-V409 HydrophobicContact CE2-CG2 3.51Å; V409-I411 HydrophobicContact CB-CG2 4.49Å; V409-I411 HydrophobicContact CG1-CG2 4.38Å; V409-I411 PolarHBondContact O-N 3.14Å; V409-S426 WeakPolarHBondContact O-CA 3.37Å; V409-A427 PolarHBondContact N-O 3.03Å; V409-A427 PolarHBondContact O-N 3.48Å; V409-V429 HydrophobicContact CB-CG2 3.93Å; V409-V429 HydrophobicContact CG2-CG2 3.65Å
410G96.4Very high84.7Confident0 Ų045.6 Ų45.60%027%0.267CS..EExtended strand (participates in β ladder)trans-71.2116.417000000110.5V285 A286 I425V285-G410 WeakPolarHBondContact CA-O 3.38Å; A286-G410 PolarHBondContact N-O 3.46Å; A286-G410 PolarHBondContact O-N 2.83Å; G410-I425 WeakPolarHBondContact CA-O 3.49Å
411I95Very high84.6Confident1 Ų147.4 Ų47.41%0.00526%0.264CS..EExtended strand (participates in β ladder)trans-128.7159.9-179.156.8164.9000110.8V409 C413 F416 I424 I425 A427 V429 W436V409-I411 HydrophobicContact CB-CG2 4.49Å; V409-I411 HydrophobicContact CG1-CG2 4.38Å; V409-I411 PolarHBondContact O-N 3.14Å; I411-C413 PolarHBondContact O-N 2.77Å; I411-F416 HydrophobicContact CD1-CE1 4Å; I411-F416 HydrophobicContact CD1-CZ 4.28Å; I411-I424 CarbonylContact O-C 3.6Å; I411-I424 WeakPolarHBondContact O-CA 3.39Å; I411-I425 PolarHBondContact N-O 3.33Å; I411-I425 PolarHBondContact O-N 3.44Å; I411-A427 HydrophobicContact CD1-CB 4.14Å; I411-A427 HydrophobicContact CG1-CB 4.23Å; I411-V429 HydrophobicContact CD1-CG1 3.9Å; I411-V429 HydrophobicContact CG2-CG1 4.1Å; I411-W436 HydrophobicContact CB-CH2 3.62Å; I411-W436 HydrophobicContact CB-CZ2 3.92Å; I411-W436 HydrophobicContact CB-CZ3 4.02Å; I411-W436 HydrophobicContact CD1-CE3 4.21Å; I411-W436 HydrophobicContact CD1-CH2 3.91Å; I411-W436 HydrophobicContact CD1-CZ3 3.5Å; I411-W436 HydrophobicContact CG1-CH2 4.34Å; I411-W436 HydrophobicContact CG1-CZ3 4.37Å; I411-W436 HydrophobicContact CG2-CD2 4.12Å; I411-W436 HydrophobicContact CG2-CE3 4.09Å; I411-W436 HydrophobicContact CG2-CH2 3.77Å; I411-W436 HydrophobicContact CG2-CZ2 3.72Å; I411-W436 HydrophobicContact CG2-CZ3 3.96Å
412T93.6Very high84.4Confident5 Ų550.2 Ų50.23%0.03128%0.283CS..EExtended strand (participates in β ladder)trans-64.5129.3173.7-51.20000110.7T414 I424T412-T414 HydrophobicContact CG2-CG2 3.92Å; T412-T414 PolarHBondContact O-N 2.93Å; T412-I424 WeakPolarHBondContact OG1-CD1 3.47Å
413C86.6Confident84.9Confident0 Ų048.2 Ų48.20%026%0.263CS..  trans-78.9103.2174.3-170.60000109.8I411 F416 P420 D422 I423 I425I411-C413 PolarHBondContact O-N 2.77Å; C413-F416 HydrophobicContact CB-CE1 4.49Å; C413-P420 WeakPolarHBondContact CB-O 3.37Å; C413-P420 PolarHBondContact SG-O 2.83Å; C413-D422 PolarHBondContact O-N 3.25Å; C413-I423 HydrophobicContact CB-CG1 3.74Å; C413-I423 WeakPolarHBondContact CB-O 3.42Å; C413-I423 PolarHBondContact N-O 2.83Å; C413-I425 HydrophobicContact CB-CG2 4.28Å
414T74.4Confident85.7Confident72 Ų7244 Ų4444%0.44224%0.236SC..SBendtrans-116.650.3179.662.90000111T412T412-T414 HydrophobicContact CG2-CG2 3.92Å; T412-T414 PolarHBondContact O-N 2.93Å
415D64.2Low86.3Confident115 Ų11536.9 Ų36.962%0.61520%0.197SC*.SBendtrans101.420166.6-41.1-4.5000116.4H421D415-H421 VanDerWaalsContact CG-CE1 3.46Å; D415-H421 IonicContact OD1-CE1 3.6Å; D415-H421 PolarHBondContact OD1-CE1 3.04Å; D415-H421 IonicContact OD1-CG 2.7Å; D415-H421 IonicContact OD1-ND1 2.95Å; D415-H421 PolarHBondContact OD1-ND1 2.9Å
416F71.9Confident86.5Confident27 Ų2733.4 Ų33.412%0.11818%0.182CC..SBendtrans-89.4134.1173.260.8-100.1000112.4I411 C413 S418 L419 I425 A427 L438I411-F416 HydrophobicContact CD1-CE1 4Å; I411-F416 HydrophobicContact CD1-CZ 4.28Å; C413-F416 HydrophobicContact CB-CE1 4.49Å; F416-S418 VanDerWaalsContact C-N 3.31Å; F416-S418 PolarHBondContact O-N 2.94Å; F416-L419 HydrophobicContact CD2-CD1 4.44Å; F416-L419 HydrophobicContact CE2-CD1 4.19Å; F416-L419 PolarHBondContact O-N 2.85Å; F416-I425 HydrophobicContact CE2-CG2 3.95Å; F416-I425 HydrophobicContact CZ-CG2 3.53Å; F416-A427 HydrophobicContact CE2-CB 4.48Å; F416-A427 HydrophobicContact CZ-CB 4.21Å; F416-L438 HydrophobicContact CB-CD2 4.03Å; F416-L438 HydrophobicContact CD1-CD2 4.47Å; F416-L438 HydrophobicContact CD2-CD2 4.43Å; F416-L438 HydrophobicContact CG-CD2 4.09Å
417Y70.9Confident86.6Confident65 Ų6532.8 Ų32.826%0.25518%0.179SC..THydrogen-bonded Turntrans58.927.5175-45.2-60000116.3W316 L419 L438 V442 V444 L449W316-Y417 AromaticContact CH2-CE2 3.91Å; W316-Y417 HydrophobicContact CH2-CE2 3.91Å; W316-Y417 HydrophobicContact CZ3-CE2 4.03Å; Y417-L419 PolarHBondContact O-N 3.48Å; Y417-L419 VanDerWaalsContact O-N 3.15Å; Y417-L438 HydrophobicContact CE2-CD2 3.92Å; Y417-V442 PolarHBondContact OH-O 2.89Å; Y417-V444 HydrophobicContact CD1-CB 3.87Å; Y417-V444 HydrophobicContact CD1-CG2 4.25Å; Y417-V444 HydrophobicContact CD2-CB 4.13Å; Y417-V444 HydrophobicContact CD2-CG1 4.5Å; Y417-V444 HydrophobicContact CD2-CG2 3.89Å; Y417-V444 HydrophobicContact CE1-CB 3.99Å; Y417-V444 HydrophobicContact CE1-CG2 3.97Å; Y417-V444 HydrophobicContact CE2-CB 4.33Å; Y417-V444 HydrophobicContact CE2-CG2 3.69Å; Y417-V444 HydrophobicContact CG-CB 3.96Å; Y417-V444 HydrophobicContact CG-CG1 4.37Å; Y417-V444 HydrophobicContact CG-CG2 4.23Å; Y417-L449 WeakPolarHBondContact O-CD1 3.47Å
418S78.8Confident86.7Confident120 Ų12032 Ų3284%0.83918%0.176SC*.THydrogen-bonded Turntrans60.816.1179.8-43.90000115.2F416F416-S418 VanDerWaalsContact C-N 3.31Å; F416-S418 PolarHBondContact O-N 2.94Å
419L82.6Confident86.6Confident3 Ų331.8 Ų31.82%0.01618%0.175CC..PPolyproline II helixtrans-69.4154.8173.8-65.5175.6000110.1F416 Y417 I425 L452 D453 A456F416-L419 HydrophobicContact CD2-CD1 4.44Å; F416-L419 HydrophobicContact CE2-CD1 4.19Å; F416-L419 PolarHBondContact O-N 2.85Å; Y417-L419 PolarHBondContact O-N 3.48Å; Y417-L419 VanDerWaalsContact O-N 3.15Å; L419-I425 HydrophobicContact CD1-CD1 3.75Å; L419-L452 HydrophobicContact CD2-CB 4.17Å; L419-D453 WeakPolarHBondContact CD2-OD1 3.37Å; L419-A456 HydrophobicContact CD2-CB 4.16Å
420P81.7Confident86.5Confident30 Ų3032.5 Ų32.520%0.19518%0.179CC..PPolyproline II helixtrans-54.5143.6176.1-21.429.9000112.8C413 I423 A456 Q460C413-P420 WeakPolarHBondContact CB-O 3.37Å; C413-P420 PolarHBondContact SG-O 2.83Å; P420-I423 WeakPolarHBondContact O-CG1 3.34Å; P420-A456 HydrophobicContact CG-CB 4.02Å; P420-Q460 HydrophobicContact CB-CG 4.23Å; P420-Q460 HydrophobicContact CG-CG 4.38Å
421H83.6Confident86.2Confident104 Ų10432.7 Ų32.748%0.48118%0.18SC..THydrogen-bonded Turntrans-72.3163.1174.7-52.4-76.4000111D415 I423D415-H421 VanDerWaalsContact CG-CE1 3.46Å; D415-H421 IonicContact OD1-CE1 3.6Å; D415-H421 PolarHBondContact OD1-CE1 3.04Å; D415-H421 IonicContact OD1-CG 2.7Å; D415-H421 IonicContact OD1-ND1 2.95Å; D415-H421 PolarHBondContact OD1-ND1 2.9Å; H421-I423 PolarHBondContact O-N 3.38Å
422D82.9Confident86Confident121 Ų12136.1 Ų36.165%0.64720%0.201SC*.THydrogen-bonded Turntrans61.219.5169.5-52.2-38.5000115.3S270 C413 Q463S270-D422 PolarHBondContact OG-O 3.47Å; C413-D422 PolarHBondContact O-N 3.25Å; D422-Q463 PolarHBondContact O-NE2 3.29Å
423I90.2Very high85.6Confident0 Ų045 Ų450%024%0.242CC..  trans-99.4147.7164.463.3172000110.1C413 P420 H421 A456 L459 Q460C413-I423 HydrophobicContact CB-CG1 3.74Å; C413-I423 WeakPolarHBondContact CB-O 3.42Å; C413-I423 PolarHBondContact N-O 2.83Å; P420-I423 WeakPolarHBondContact O-CG1 3.34Å; H421-I423 PolarHBondContact O-N 3.38Å; I423-A456 HydrophobicContact CD1-CB 3.56Å; I423-L459 HydrophobicContact CD1-CD1 4.35Å; I423-L459 HydrophobicContact CG2-CB 4.49Å; I423-Q460 HydrophobicContact CG2-CG 3.71Å
424I94.8Very high85.5Confident2 Ų245.5 Ų45.51%0.0125%0.247CC..EExtended strand (participates in β ladder)trans-87.2123.3165.3-58.8-58.9000108.3N266 C269 V273 A286 I411 T412 L459N266-I424 HydrophobicContact CB-CB 4.26Å; N266-I424 HydrophobicContact CB-CG2 4.34Å; N266-I424 WeakPolarHBondContact CB-O 3.28Å; N266-I424 PolarHBondContact ND2-O 3.22Å; N266-I424 WeakPolarHBondContact O-CB 3.36Å; C269-I424 HydrophobicContact CB-CB 4.47Å; C269-I424 HydrophobicContact CB-CG1 3.93Å; C269-I424 HydrophobicContact CB-CG2 4.18Å; V273-I424 HydrophobicContact CG2-CD1 4.25Å; A286-I424 HydrophobicContact CB-CG2 4.13Å; I411-I424 CarbonylContact O-C 3.6Å; I411-I424 WeakPolarHBondContact O-CA 3.39Å; T412-I424 WeakPolarHBondContact OG1-CD1 3.47Å; I424-L459 WeakPolarHBondContact O-CD1 3.36Å
425I94.8Very high86.2Confident0 Ų049.5 Ų49.50%026%0.259CS..EExtended strand (participates in β ladder)trans-130.4140.1178.3-164.6173.8000110.4G410 I411 C413 F416 L419 A427 L452 L459G410-I425 WeakPolarHBondContact CA-O 3.49Å; I411-I425 PolarHBondContact N-O 3.33Å; I411-I425 PolarHBondContact O-N 3.44Å; C413-I425 HydrophobicContact CB-CG2 4.28Å; F416-I425 HydrophobicContact CE2-CG2 3.95Å; F416-I425 HydrophobicContact CZ-CG2 3.53Å; L419-I425 HydrophobicContact CD1-CD1 3.75Å; I425-A427 PolarHBondContact O-N 2.99Å; I425-L452 HydrophobicContact CD1-CD2 4.45Å; I425-L459 HydrophobicContact CB-CD1 4.48Å; I425-L459 HydrophobicContact CG1-CD1 4.41Å
426S96.1Very high87.5Confident0 Ų045.2 Ų45.20%023%0.234CC..EExtended strand (participates in β ladder)trans-67.1128.8172.5-173.80000109.7V315 W316 G317 V409V315-S426 WeakPolarHBondContact O-CB 3.3Å; V315-S426 PolarHBondContact O-OG 3.28Å; W316-S426 VanDerWaalsContact CA-O 3.25Å; W316-S426 WeakPolarHBondContact CA-O 3.47Å; G317-S426 PolarHBondContact N-O 3.25Å; G317-S426 WeakPolarHBondContact O-CB 3.46Å; G317-S426 PolarHBondContact O-N 3.39Å; V409-S426 WeakPolarHBondContact O-CA 3.37Å
427A95.1Very high88.5Confident0 Ų046.1 Ų46.10%024%0.243CC..EExtended strand (participates in β ladder)trans-148.4154.5177.700000110.4W316 S408 V409 I411 F416 I425 V429 L438W316-A427 HydrophobicContact CE3-CB 3.87Å; W316-A427 HydrophobicContact CH2-CB 4.47Å; W316-A427 HydrophobicContact CZ3-CB 3.64Å; S408-A427 WeakPolarHBondContact CA-O 3.38Å; V409-A427 PolarHBondContact N-O 3.03Å; V409-A427 PolarHBondContact O-N 3.48Å; I411-A427 HydrophobicContact CD1-CB 4.14Å; I411-A427 HydrophobicContact CG1-CB 4.23Å; F416-A427 HydrophobicContact CE2-CB 4.48Å; F416-A427 HydrophobicContact CZ-CB 4.21Å; I425-A427 PolarHBondContact O-N 2.99Å; A427-V429 PolarHBondContact O-N 2.98Å; A427-L438 HydrophobicContact CB-CD1 3.7Å
428P95Very high89.5Confident0 Ų045 Ų450%024%0.242CC..EExtended strand (participates in β ladder)trans-71.9124.417530.3-32.9000110.4I314 W316 F406 L439 V442I314-P428 HydrophobicContact CD1-CB 4.07Å; I314-P428 HydrophobicContact CD1-CG 4.18Å; I314-P428 HydrophobicContact CG1-CB 4.13Å; I314-P428 HydrophobicContact CG2-CB 3.79Å; I314-P428 HydrophobicContact CG2-CG 3.75Å; W316-P428 HydrophobicContact CH2-CG 3.65Å; W316-P428 HydrophobicContact CZ2-CG 3.4Å; W316-P428 VanDerWaalsContact CZ2-CG 3.4Å; W316-P428 HydrophobicContact CZ3-CG 4.44Å; F406-P428 HydrophobicContact CD2-CB 4.21Å; P428-L439 HydrophobicContact CB-CB 3.91Å; P428-L439 HydrophobicContact CB-CD2 4.07Å; P428-L439 HydrophobicContact CG-CB 4.04Å; P428-L439 HydrophobicContact CG-CD2 4.45Å; P428-L439 WeakPolarHBondContact O-CB 3.44Å; P428-L439 PolarHBondContact O-N 2.84Å; P428-V442 HydrophobicContact CG-CG2 4.32Å
429V94.2Very high90.1Very high0 Ų040.1 Ų40.10%021%0.206CC..EExtended strand (participates in β ladder)trans-121.7145.3177.8-61.50000111.5F406 F407 V409 I411 A427 W436 S437F406-V429 WeakPolarHBondContact CA-O 3.27Å; F406-V429 WeakPolarHBondContact CB-O 3.39Å; F407-V429 PolarHBondContact N-O 2.97Å; F407-V429 PolarHBondContact O-N 3.31Å; V409-V429 HydrophobicContact CB-CG2 3.93Å; V409-V429 HydrophobicContact CG2-CG2 3.65Å; I411-V429 HydrophobicContact CD1-CG1 3.9Å; I411-V429 HydrophobicContact CG2-CG1 4.1Å; A427-V429 PolarHBondContact O-N 2.98Å; V429-W436 HydrophobicContact CB-CB 4.27Å; V429-W436 HydrophobicContact CG1-CE3 4.06Å; V429-W436 HydrophobicContact CG2-CB 4.43Å; V429-S437 CarbonylContact C-O 3.58Å; V429-S437 WeakPolarHBondContact CA-O 3.48Å
430T93.5Very high90.4Very high17 Ų1748.6 Ų48.610%0.10424%0.243CC..EExtended strand (participates in β ladder)trans-104.7155168.754.20000109.2F406 W436 S437 L439F406-T430 HydrophobicContact CB-CG2 3.89Å; T430-W436 CarbonylContact O-C 3.53Å; T430-W436 WeakPolarHBondContact O-CA 3.49Å; T430-S437 PolarHBondContact N-O 2.81Å; T430-S437 PolarHBondContact O-N 3.43Å; T430-S437 PolarHBondContact OG1-O 3.21Å; T430-S437 PolarHBondContact OG1-OG 3.47Å; T430-L439 HydrophobicContact CG2-CB 4.46Å; T430-L439 HydrophobicContact CG2-CD1 3.51Å
431W90.9Very high90.4Very high4 Ų450.3 Ų50.32%0.01527%0.266CS..EExtended strand (participates in β ladder)trans-121.7129.6-177.9-66.681.7000110.4V393 A396 W397 F407 K435 W436V393-W431 HydrophobicContact CG1-CH2 4.49Å; V393-W431 HydrophobicContact CG1-CZ2 4.44Å; A396-W431 HydrophobicContact CB-CB 4.2Å; A396-W431 HydrophobicContact CB-CD2 3.51Å; A396-W431 HydrophobicContact CB-CE3 4.03Å; A396-W431 HydrophobicContact CB-CG 3.6Å; A396-W431 HydrophobicContact CB-CZ2 4.29Å; W397-W431 AromaticContact CD1-CH2 3.73Å; W397-W431 AromaticContact CD1-CZ3 3.21Å; W397-W431 HydrophobicContact CD2-CH2 4.14Å; W397-W431 HydrophobicContact CD2-CZ3 4.31Å; W397-W431 AromaticContact CE2-CH2 3.7Å; W397-W431 HydrophobicContact CG-CH2 4.1Å; W397-W431 AromaticContact CG-CZ3 3.8Å; W397-W431 HydrophobicContact CG-CZ3 3.8Å; W397-W431 HydrophobicContact CZ2-CH2 4.36Å; W397-W431 AromaticContact NE1-CH2 3.38Å; W397-W431 AromaticContact NE1-CZ3 3.28Å; W397-W431 VanDerWaalsContact NE1-CZ3 3.28Å; F407-W431 AromaticContact CE1-CD1 3.77Å; F407-W431 AromaticContact CE1-NE1 3.82Å; F407-W431 HydrophobicContact CE2-CZ2 4.47Å; F407-W431 AromaticContact CE2-NE1 3.33Å; F407-W431 VanDerWaalsContact CE2-NE1 3.33Å; F407-W431 AromaticContact CZ-CD1 3.43Å; F407-W431 VanDerWaalsContact CZ-CD1 3.43Å; F407-W431 AromaticContact CZ-CE2 3.88Å; F407-W431 HydrophobicContact CZ-CG 4.42Å; F407-W431 AromaticContact CZ-NE1 3.02Å; W431-K435 WeakPolarHBondContact CA-O 3.32Å; W431-W436 HydrophobicContact CD2-CB 3.75Å; W431-W436 HydrophobicContact CE3-CB 3.79Å; W431-W436 HydrophobicContact CG-CB 4.44Å; W431-W436 HydrophobicContact CH2-CB 3.89Å; W431-W436 AromaticContact CH2-CD1 3.49Å; W431-W436 VanDerWaalsContact CH2-CD1 3.49Å; W431-W436 HydrophobicContact CH2-CG 4.04Å; W431-W436 HydrophobicContact CZ2-CB 3.84Å; W431-W436 HydrophobicContact CZ2-CG 4.25Å; W431-W436 HydrophobicContact CZ3-CB 3.82Å; W431-W436 AromaticContact CZ3-CD1 3.72Å; W431-W436 HydrophobicContact CZ3-CG 4.19Å
432T89.3Confident90.5Very high74 Ų7445.6 Ų45.645%0.45425%0.245SC..EExtended strand (participates in β ladder)trans-136119.5176.351.60000108.3G434 K435T432-G434 VanDerWaalsContact C-N 3.27Å; T432-G434 PolarHBondContact O-N 3.08Å; T432-K435 PolarHBondContact N-O 3.39Å; T432-K435 PolarHBondContact O-N 3.4Å
433E85.1Confident90.5Very high190 Ų19043.3 Ų43.389%0.88824%0.235SC*.THydrogen-bonded Turntrans52.244.6179.8-58.7177.7179.200112.7K435E433-K435 PolarHBondContact O-N 3.48Å; E433-K435 VanDerWaalsContact O-N 3.15Å
434G85.1Confident90.1Very high11 Ų1143.8 Ų43.811%0.11324%0.238CC..THydrogen-bonded Turntrans71.74.6179.900000115.4W397 T432W397-G434 VanDerWaalsContact CD1-O 3.26Å; W397-G434 WeakPolarHBondContact O-CA 3.41Å; T432-G434 VanDerWaalsContact C-N 3.27Å; T432-G434 PolarHBondContact O-N 3.08Å
435K89.6Confident89.5Confident157 Ų15750.5 Ų50.568%0.68327%0.269SS*.EExtended strand (participates in β ladder)trans-107.7133174.7-62.5-179.6-176.2176.20109.8W431 T432 E433W431-K435 WeakPolarHBondContact CA-O 3.32Å; T432-K435 PolarHBondContact N-O 3.39Å; T432-K435 PolarHBondContact O-N 3.4Å; E433-K435 PolarHBondContact O-N 3.48Å; E433-K435 VanDerWaalsContact O-N 3.15Å
436W92.4Very high89.1Confident24 Ų2452.9 Ų52.99%0.09129%0.294CS..EExtended strand (participates in β ladder)trans-89.7150.3175.160.5-99.3000111.4H282 I411 V429 T430 W431H282-W436 HydrophobicContact CB-CZ2 4.01Å; H282-W436 AromaticContact CD2-CE2 3.77Å; H282-W436 AromaticContact CD2-CH2 3.64Å; H282-W436 AromaticContact CD2-CZ2 3.56Å; H282-W436 AromaticContact CG-CZ2 3.81Å; H282-W436 AromaticContact NE2-CH2 3.88Å; H282-W436 PolarHBondContact O-NE1 3.33Å; I411-W436 HydrophobicContact CB-CH2 3.62Å; I411-W436 HydrophobicContact CB-CZ2 3.92Å; I411-W436 HydrophobicContact CB-CZ3 4.02Å; I411-W436 HydrophobicContact CD1-CE3 4.21Å; I411-W436 HydrophobicContact CD1-CH2 3.91Å; I411-W436 HydrophobicContact CD1-CZ3 3.5Å; I411-W436 HydrophobicContact CG1-CH2 4.34Å; I411-W436 HydrophobicContact CG1-CZ3 4.37Å; I411-W436 HydrophobicContact CG2-CD2 4.12Å; I411-W436 HydrophobicContact CG2-CE3 4.09Å; I411-W436 HydrophobicContact CG2-CH2 3.77Å; I411-W436 HydrophobicContact CG2-CZ2 3.72Å; I411-W436 HydrophobicContact CG2-CZ3 3.96Å; V429-W436 HydrophobicContact CB-CB 4.27Å; V429-W436 HydrophobicContact CG1-CE3 4.06Å; V429-W436 HydrophobicContact CG2-CB 4.43Å; T430-W436 CarbonylContact O-C 3.53Å; T430-W436 WeakPolarHBondContact O-CA 3.49Å; W431-W436 HydrophobicContact CD2-CB 3.75Å; W431-W436 HydrophobicContact CE3-CB 3.79Å; W431-W436 HydrophobicContact CG-CB 4.44Å; W431-W436 HydrophobicContact CH2-CB 3.89Å; W431-W436 AromaticContact CH2-CD1 3.49Å; W431-W436 VanDerWaalsContact CH2-CD1 3.49Å; W431-W436 HydrophobicContact CH2-CG 4.04Å; W431-W436 HydrophobicContact CZ2-CB 3.84Å; W431-W436 HydrophobicContact CZ2-CG 4.25Å; W431-W436 HydrophobicContact CZ3-CB 3.82Å; W431-W436 AromaticContact CZ3-CD1 3.72Å; W431-W436 HydrophobicContact CZ3-CG 4.19Å
437S91.9Very high88.7Confident46 Ų4660.1 Ų60.132%0.32233%0.325SS..EExtended strand (participates in β ladder)trans-145151.3169.565.50000110.3V429 T430 L439V429-S437 CarbonylContact C-O 3.58Å; V429-S437 WeakPolarHBondContact CA-O 3.48Å; T430-S437 PolarHBondContact N-O 2.81Å; T430-S437 PolarHBondContact O-N 3.43Å; T430-S437 PolarHBondContact OG1-O 3.21Å; T430-S437 PolarHBondContact OG1-OG 3.47Å; S437-L439 PolarHBondContact O-N 2.92Å
438L91.8Very high88.4Confident42 Ų4261.2 Ų61.222%0.2233%0.33CS..EExtended strand (participates in β ladder)trans-57.1135.7178.2-169.473000110.5W316 F416 Y417 A427 K440W316-L438 HydrophobicContact CH2-CD1 4.43Å; W316-L438 HydrophobicContact CZ3-CD1 4.46Å; F416-L438 HydrophobicContact CB-CD2 4.03Å; F416-L438 HydrophobicContact CD1-CD2 4.47Å; F416-L438 HydrophobicContact CD2-CD2 4.43Å; F416-L438 HydrophobicContact CG-CD2 4.09Å; Y417-L438 HydrophobicContact CE2-CD2 3.92Å; A427-L438 HydrophobicContact CB-CD1 3.7Å; L438-K440 PolarHBondContact O-N 3.07Å; L438-K440 VanDerWaalsContact O-N 3.15Å
439L91.6Very high88.1Confident18 Ų1863.6 Ų63.69%0.09434%0.343CS..PPolyproline II helixtrans-58.2119.7177.9178.865.8000110.2I314 F406 P428 T430 S437 V442I314-L439 HydrophobicContact CD1-CD2 4.3Å; F406-L439 HydrophobicContact CB-CD1 4.32Å; F406-L439 HydrophobicContact CB-CD2 4.48Å; F406-L439 HydrophobicContact CD1-CD1 4.06Å; F406-L439 HydrophobicContact CD1-CD2 3.91Å; F406-L439 HydrophobicContact CD2-CD2 3.9Å; F406-L439 HydrophobicContact CE1-CD2 4.01Å; F406-L439 HydrophobicContact CE2-CD2 4.02Å; F406-L439 HydrophobicContact CG-CD1 4.26Å; F406-L439 HydrophobicContact CG-CD2 3.83Å; F406-L439 HydrophobicContact CZ-CD2 4.04Å; P428-L439 HydrophobicContact CB-CB 3.91Å; P428-L439 HydrophobicContact CB-CD2 4.07Å; P428-L439 HydrophobicContact CG-CB 4.04Å; P428-L439 HydrophobicContact CG-CD2 4.45Å; P428-L439 WeakPolarHBondContact O-CB 3.44Å; P428-L439 PolarHBondContact O-N 2.84Å; T430-L439 HydrophobicContact CG2-CB 4.46Å; T430-L439 HydrophobicContact CG2-CD1 3.51Å; S437-L439 PolarHBondContact O-N 2.92Å; L439-V442 HydrophobicContact CB-CG2 4.17Å; L439-V442 HydrophobicContact CD2-CG2 3.65Å; L439-V442 HydrophobicContact CG-CG2 3.86Å
440K87.8Confident87.9Confident181 Ų18169.7 Ų69.779%0.78737%0.371SS*.THydrogen-bonded Turntrans-71.3147.6178.7-64.9-178.9-178.3175.60111.1L438 V442L438-K440 PolarHBondContact O-N 3.07Å; L438-K440 VanDerWaalsContact O-N 3.15Å; K440-V442 VanDerWaalsContact C-N 3.35Å
441G83.3Confident87.8Confident65 Ų6571.9 Ų71.967%0.6738%0.381SS*.THydrogen-bonded Turntrans82.87175.600000114.9T443G441-T443 PolarHBondContact O-N 3.03Å
442V84.5Confident87.8Confident6 Ų671.7 Ų71.74%0.03638%0.38CS..  trans-85110.3168.5-169.90000109.8W316 W329 Y417 P428 L439 K440 V444W316-V442 HydrophobicContact CH2-CG1 4.36Å; W316-V442 HydrophobicContact CZ2-CB 4.32Å; W316-V442 HydrophobicContact CZ2-CG1 3.63Å; W329-V442 HydrophobicContact CZ2-CG2 4.36Å; Y417-V442 PolarHBondContact OH-O 2.89Å; P428-V442 HydrophobicContact CG-CG2 4.32Å; L439-V442 HydrophobicContact CB-CG2 4.17Å; L439-V442 HydrophobicContact CD2-CG2 3.65Å; L439-V442 HydrophobicContact CG-CG2 3.86Å; K440-V442 VanDerWaalsContact C-N 3.35Å; V442-V444 HydrophobicContact CG1-CG2 4.41Å
443T82.7Confident87.9Confident72 Ų7271 Ų7144%0.44237%0.373SS..  trans-84.2121.8174.6-52.40000110R328 G441 E445R328-T443 PolarHBondContact NH1-O 2.85Å; R328-T443 PolarHBondContact NH2-O 2.74Å; G441-T443 PolarHBondContact O-N 3.03Å; T443-E445 HydrophobicContact CG2-CB 4.37Å; T443-E445 HydrophobicContact CG2-CG 3.67Å; T443-E445 WeakPolarHBondContact CG2-OE1 3.41Å
444V82.1Confident88.2Confident10 Ų1066 Ų666%0.06135%0.352CS..  trans-112.8103.2175.91790000107.9W316 Y417 V442 M448 L449 L452W316-V444 HydrophobicContact CH2-CG2 4.16Å; W316-V444 HydrophobicContact CZ2-CG2 4.25Å; Y417-V444 HydrophobicContact CD1-CB 3.87Å; Y417-V444 HydrophobicContact CD1-CG2 4.25Å; Y417-V444 HydrophobicContact CD2-CB 4.13Å; Y417-V444 HydrophobicContact CD2-CG1 4.5Å; Y417-V444 HydrophobicContact CD2-CG2 3.89Å; Y417-V444 HydrophobicContact CE1-CB 3.99Å; Y417-V444 HydrophobicContact CE1-CG2 3.97Å; Y417-V444 HydrophobicContact CE2-CB 4.33Å; Y417-V444 HydrophobicContact CE2-CG2 3.69Å; Y417-V444 HydrophobicContact CG-CB 3.96Å; Y417-V444 HydrophobicContact CG-CG1 4.37Å; Y417-V444 HydrophobicContact CG-CG2 4.23Å; V442-V444 HydrophobicContact CG1-CG2 4.41Å; V444-M448 HydrophobicContact CG1-CG 4.23Å; V444-M448 HydrophobicContact CG1-SD 4.37Å; V444-M448 HydrophobicContact CG2-CE 4.1Å; V444-M448 HydrophobicContact CG2-SD 4.32Å; V444-L449 HydrophobicContact CG1-CB 4.26Å; V444-L449 HydrophobicContact CG1-CD1 4.1Å; V444-L452 HydrophobicContact CG1-CD1 3.49Å; V444-L452 VanDerWaalsContact CG1-CD1 3.49Å
445E82.1Confident88.5Confident144 Ų14465.4 Ų65.467%0.67335%0.347SS*.  trans-144.4160.5-174.4-72.5176.3-165.800111.2T443 K447 M448T443-E445 HydrophobicContact CG2-CB 4.37Å; T443-E445 HydrophobicContact CG2-CG 3.67Å; T443-E445 WeakPolarHBondContact CG2-OE1 3.41Å; E445-K447 PolarHBondContact O-N 2.83Å; E445-M448 PolarHBondContact O-N 3.04Å
446G87.6Confident88.5Confident50 Ų5058 Ų5852%0.51531%0.314SS..THydrogen-bonded Turntrans58.4-132.9174.700000113.1M448 L449 E450G446-M448 PolarHBondContact O-N 2.76Å; G446-M448 VanDerWaalsContact O-N 3.11Å; G446-L449 WeakPolarHBondContact O-CB 3.24Å; G446-L449 PolarHBondContact O-N 2.82Å; G446-E450 PolarHBondContact O-N 3.32Å
447K87.4Confident88.4Confident152 Ų15260.2 Ų60.266%0.66133%0.328SS*.Hα-helixtrans-53.6-34.5-177.1-172.2-179178.8-1750113.6E445 E450 E451E445-K447 PolarHBondContact O-N 2.83Å; K447-E450 PolarHBondContact O-N 2.8Å; K447-E451 WeakPolarHBondContact O-CG 3.45Å; K447-E451 PolarHBondContact O-N 2.88Å
448M88.1Confident88.3Confident22 Ų2260.8 Ų60.811%0.10833%0.326CS..Hα-helixtrans-67.8-39.2179.6-175.5-180178.800111.6W316 V324 D326 R328 V444 E445 G446 E451 L452W316-M448 HydrophobicContact CD2-CE 4.05Å; W316-M448 HydrophobicContact CG-CE 3.93Å; W316-M448 HydrophobicContact CZ2-CE 4.26Å; V324-M448 HydrophobicContact CG1-CG 4.38Å; D326-M448 HydrophobicContact CB-CE 4.16Å; R328-M448 PolarHBondContact NH2-SD 2.86Å; V444-M448 HydrophobicContact CG1-CG 4.23Å; V444-M448 HydrophobicContact CG1-SD 4.37Å; V444-M448 HydrophobicContact CG2-CE 4.1Å; V444-M448 HydrophobicContact CG2-SD 4.32Å; E445-M448 PolarHBondContact O-N 3.04Å; G446-M448 PolarHBondContact O-N 2.76Å; G446-M448 VanDerWaalsContact O-N 3.11Å; M448-E451 PolarHBondContact O-N 3.25Å; M448-L452 HydrophobicContact CE-CD1 4.27Å; M448-L452 HydrophobicContact CG-CD1 4.21Å; M448-L452 VanDerWaalsContact O-CG 3.26Å; M448-L452 WeakPolarHBondContact O-CG 3.48Å; M448-L452 PolarHBondContact O-N 3.18Å
449L88.9Confident88.2Confident50 Ų5059.1 Ų59.126%0.26232%0.317SS..Hα-helixtrans-65.4-44.8176.7-175.962.6000110.5Y417 V444 G446 E451 L452 D453Y417-L449 WeakPolarHBondContact O-CD1 3.47Å; V444-L449 HydrophobicContact CG1-CB 4.26Å; V444-L449 HydrophobicContact CG1-CD1 4.1Å; G446-L449 WeakPolarHBondContact O-CB 3.24Å; G446-L449 PolarHBondContact O-N 2.82Å; L449-E451 VanDerWaalsContact C-N 3.33Å; L449-E451 PolarHBondContact O-N 3.43Å; L449-L452 PolarHBondContact O-N 3.42Å; L449-L452 VanDerWaalsContact O-N 3.08Å; L449-D453 PolarHBondContact O-N 3.19Å
450E90.1Very high87.9Confident128 Ų12861.3 Ų61.360%0.59833%0.327SS*.Hα-helixtrans-58.3-42.6175.6-64.9173.6-175.900112.3G446 K447 L452 D453 L454G446-E450 PolarHBondContact O-N 3.32Å; K447-E450 PolarHBondContact O-N 2.8Å; E450-L452 VanDerWaalsContact C-N 3.33Å; E450-D453 PolarHBondContact O-N 3.01Å; E450-L454 WeakPolarHBondContact O-CG 3.43Å; E450-L454 PolarHBondContact O-N 2.82Å; E450-L454 VanDerWaalsContact O-N 3.16Å
451E91.4Very high87.6Confident64 Ų6458.5 Ų58.530%0.29932%0.316SS..Hα-helixtrans-66.5-35.4176-73.2-168.9133.900112.4V324 K447 M448 L449 L454 C455V324-E451 HydrophobicContact CG2-CB 3.59Å; K447-E451 WeakPolarHBondContact O-CG 3.45Å; K447-E451 PolarHBondContact O-N 2.88Å; M448-E451 PolarHBondContact O-N 3.25Å; L449-E451 VanDerWaalsContact C-N 3.33Å; L449-E451 PolarHBondContact O-N 3.43Å; E451-L454 PolarHBondContact O-N 2.84Å; E451-C455 PolarHBondContact O-N 2.72Å; E451-C455 VanDerWaalsContact O-N 3.09Å; E451-C455 PolarHBondContact O-SG 3.07Å
452L91.2Very high87.1Confident0 Ų056.9 Ų56.90%030%0.295CS..Hα-helixtrans-71.2-38176.4-71.5171.8000112.7W316 V324 L419 I425 V444 M448 L449 E450 L454 C455 A456W316-L452 HydrophobicContact CB-CD2 3.42Å; W316-L452 VanDerWaalsContact CB-CD2 3.42Å; W316-L452 HydrophobicContact CG-CD2 4.25Å; V324-L452 HydrophobicContact CB-CD2 4.49Å; V324-L452 HydrophobicContact CG2-CD2 4.15Å; V324-L452 HydrophobicContact CG2-CG 4.47Å; L419-L452 HydrophobicContact CD2-CB 4.17Å; I425-L452 HydrophobicContact CD1-CD2 4.45Å; V444-L452 HydrophobicContact CG1-CD1 3.49Å; V444-L452 VanDerWaalsContact CG1-CD1 3.49Å; M448-L452 HydrophobicContact CE-CD1 4.27Å; M448-L452 HydrophobicContact CG-CD1 4.21Å; M448-L452 VanDerWaalsContact O-CG 3.26Å; M448-L452 WeakPolarHBondContact O-CG 3.48Å; M448-L452 PolarHBondContact O-N 3.18Å; L449-L452 PolarHBondContact O-N 3.42Å; L449-L452 VanDerWaalsContact O-N 3.08Å; E450-L452 VanDerWaalsContact C-N 3.33Å; L452-L454 PolarHBondContact O-N 3.4Å; L452-C455 WeakPolarHBondContact O-CA 3.44Å; L452-C455 WeakPolarHBondContact O-CB 3.47Å; L452-C455 PolarHBondContact O-N 2.84Å; L452-A456 WeakPolarHBondContact O-CB 3.36Å; L452-A456 PolarHBondContact O-N 2.8Å
453D90.3Very high86.4Confident58 Ų5858.3 Ų58.331%0.3130%0.301SS..Hα-helixtrans-58.5-40.8171.8-74.1-30.6000110.6L419 L449 E450 C455 A456 N457L419-D453 WeakPolarHBondContact CD2-OD1 3.37Å; L449-D453 PolarHBondContact O-N 3.19Å; E450-D453 PolarHBondContact O-N 3.01Å; D453-C455 VanDerWaalsContact C-N 3.34Å; D453-C455 PolarHBondContact O-N 3.32Å; D453-A456 PolarHBondContact O-N 2.88Å; D453-N457 WeakPolarHBondContact O-CB 3.5Å; D453-N457 VanDerWaalsContact O-CG 3.24Å; D453-N457 PolarHBondContact O-N 2.92Å; D453-N457 PolarHBondContact O-ND2 3.11Å
454L91.9Very high85.5Confident85 Ų8558.9 Ų58.945%0.44530%0.301SS..Hα-helixtrans-65-37.3174.7-66.7169.6000112.4E450 E451 L452 E458E450-L454 WeakPolarHBondContact O-CG 3.43Å; E450-L454 PolarHBondContact O-N 2.82Å; E450-L454 VanDerWaalsContact O-N 3.16Å; E451-L454 PolarHBondContact O-N 2.84Å; L452-L454 PolarHBondContact O-N 3.4Å; L454-E458 PolarHBondContact O-N 3.19Å; L454-E458 VanDerWaalsContact O-N 3.14Å
455C92Very high84.4Confident0 Ų063.9 Ų63.90%033%0.327CS..Hα-helixtrans-65.6-43.9174-59.70000111.2R322 E451 L452 D453 E458 L459R322-C455 PolarHBondContact O-SG 2.93Å; E451-C455 PolarHBondContact O-N 2.72Å; E451-C455 VanDerWaalsContact O-N 3.09Å; E451-C455 PolarHBondContact O-SG 3.07Å; L452-C455 WeakPolarHBondContact O-CA 3.44Å; L452-C455 WeakPolarHBondContact O-CB 3.47Å; L452-C455 PolarHBondContact O-N 2.84Å; D453-C455 VanDerWaalsContact C-N 3.34Å; D453-C455 PolarHBondContact O-N 3.32Å; C455-E458 PolarHBondContact O-N 2.89Å; C455-L459 WeakPolarHBondContact O-CG 3.42Å; C455-L459 PolarHBondContact O-N 3.32Å
456A90.3Very high83.1Confident0 Ų057.3 Ų57.30%030%0.297CS..Hα-helixtrans-64.3-43.2178.800000112L419 P420 I423 L452 D453 E458 L459 Q460L419-A456 HydrophobicContact CD2-CB 4.16Å; P420-A456 HydrophobicContact CG-CB 4.02Å; I423-A456 HydrophobicContact CD1-CB 3.56Å; L452-A456 WeakPolarHBondContact O-CB 3.36Å; L452-A456 PolarHBondContact O-N 2.8Å; D453-A456 PolarHBondContact O-N 2.88Å; A456-E458 VanDerWaalsContact C-N 3.33Å; A456-E458 PolarHBondContact O-N 3.2Å; A456-L459 WeakPolarHBondContact O-CB 3.43Å; A456-L459 PolarHBondContact O-N 3.32Å; A456-Q460 WeakPolarHBondContact O-CG 3.33Å; A456-Q460 PolarHBondContact O-N 3.42Å
457N89.2Confident81.1Confident72 Ų7258.3 Ų58.339%0.38529%0.293SS..Hα-helixtrans-60.2-41.1174.7-75.9-48.8000112.1D453 L459 Q460 Q461D453-N457 WeakPolarHBondContact O-CB 3.5Å; D453-N457 VanDerWaalsContact O-CG 3.24Å; D453-N457 PolarHBondContact O-N 2.92Å; D453-N457 PolarHBondContact O-ND2 3.11Å; N457-L459 VanDerWaalsContact C-N 3.35Å; N457-Q460 PolarHBondContact O-N 3.13Å; N457-Q461 WeakPolarHBondContact O-CB 3.21Å; N457-Q461 VanDerWaalsContact O-CG 3.24Å; N457-Q461 WeakPolarHBondContact O-CG 3.32Å; N457-Q461 PolarHBondContact O-N 3.37Å
458E89.6Confident78.5Confident58 Ų5857.2 Ų57.227%0.27129%0.289SS..Hα-helixtrans-61.8-42.5174.7-178.8-172.5-126.500111.8N318 R322 L454 C455 A456 Q461 S462N318-E458 PolarHBondContact ND2-OE2 2.97Å; R322-E458 VanDerWaalsContact CB-OE2 3.28Å; R322-E458 WeakPolarHBondContact CB-OE2 3.45Å; R322-E458 PolarHBondContact N-OE2 2.87Å; L454-E458 PolarHBondContact O-N 3.19Å; L454-E458 VanDerWaalsContact O-N 3.14Å; C455-E458 PolarHBondContact O-N 2.89Å; A456-E458 VanDerWaalsContact C-N 3.33Å; A456-E458 PolarHBondContact O-N 3.2Å; E458-Q461 PolarHBondContact O-N 3.47Å; E458-S462 WeakPolarHBondContact O-CB 3.42Å; E458-S462 PolarHBondContact O-N 3.46Å; E458-S462 PolarHBondContact O-OG 2.88Å
459L89.1Confident75.9Confident7 Ų757.9 Ų57.94%0.03730%0.295CS..Hα-helixtrans-64.6-45.4177.7-72.1167.8000111.7N266 N318 I423 I424 I425 C455 A456 N457 S462 Q463N266-L459 HydrophobicContact CB-CD2 3.45Å; N266-L459 VanDerWaalsContact CB-CD2 3.45Å; N318-L459 HydrophobicContact CB-CD1 4.25Å; N318-L459 HydrophobicContact CB-CD2 3.82Å; N318-L459 HydrophobicContact CB-CG 3.99Å; N318-L459 VanDerWaalsContact CG-CD2 3.48Å; I423-L459 HydrophobicContact CD1-CD1 4.35Å; I423-L459 HydrophobicContact CG2-CB 4.49Å; I424-L459 WeakPolarHBondContact O-CD1 3.36Å; I425-L459 HydrophobicContact CB-CD1 4.48Å; I425-L459 HydrophobicContact CG1-CD1 4.41Å; C455-L459 WeakPolarHBondContact O-CG 3.42Å; C455-L459 PolarHBondContact O-N 3.32Å; A456-L459 WeakPolarHBondContact O-CB 3.43Å; A456-L459 PolarHBondContact O-N 3.32Å; N457-L459 VanDerWaalsContact C-N 3.35Å; L459-S462 WeakPolarHBondContact O-CB 3.43Å; L459-S462 PolarHBondContact O-N 3.16Å; L459-Q463 WeakPolarHBondContact O-CG 3.4Å; L459-Q463 PolarHBondContact O-N 2.89Å
460Q85.6Confident73.1Confident64 Ų6461.2 Ų61.230%0.29931%0.308SS..Hα-helixtrans-62.7-43.7175.8-73.1-169.3-5100112.1P420 I423 A456 N457 S462 Q463 L464P420-Q460 HydrophobicContact CB-CG 4.23Å; P420-Q460 HydrophobicContact CG-CG 4.38Å; I423-Q460 HydrophobicContact CG2-CG 3.71Å; A456-Q460 WeakPolarHBondContact O-CG 3.33Å; A456-Q460 PolarHBondContact O-N 3.42Å; N457-Q460 PolarHBondContact O-N 3.13Å; Q460-S462 VanDerWaalsContact C-N 3.29Å; Q460-S462 PolarHBondContact O-N 2.87Å; Q460-Q463 PolarHBondContact O-N 3.42Å; Q460-L464 WeakPolarHBondContact O-CB 3.33Å; Q460-L464 VanDerWaalsContact O-CG 3.29Å; Q460-L464 WeakPolarHBondContact O-CG 3.47Å; Q460-L464 PolarHBondContact O-N 3.36Å
461Q82Confident70.1Confident121 Ų12162.7 Ų62.757%0.56531%0.314SS*.Hα-helixtrans-62.4-39.9176.2-74.4174.59.800111.5N457 E458 Q463 L464 N465N457-Q461 WeakPolarHBondContact O-CB 3.21Å; N457-Q461 VanDerWaalsContact O-CG 3.24Å; N457-Q461 WeakPolarHBondContact O-CG 3.32Å; N457-Q461 PolarHBondContact O-N 3.37Å; E458-Q461 PolarHBondContact O-N 3.47Å; Q461-Q463 VanDerWaalsContact C-N 3.34Å; Q461-Q463 PolarHBondContact O-N 3.36Å; Q461-L464 PolarHBondContact O-N 3.46Å; Q461-N465 VanDerWaalsContact O-CB 3.31Å; Q461-N465 WeakPolarHBondContact O-CB 3.35Å; Q461-N465 PolarHBondContact O-N 2.82Å; Q461-N465 PolarHBondContact O-ND2 3.46Å
462S72.9Confident67Low32 Ų3264.3 Ų64.322%0.22433%0.333CS..Hα-helixtrans-61.4-43.2176.1-59.50000111.2E458 L459 Q460 T466E458-S462 WeakPolarHBondContact O-CB 3.42Å; E458-S462 PolarHBondContact O-N 3.46Å; E458-S462 PolarHBondContact O-OG 2.88Å; L459-S462 WeakPolarHBondContact O-CB 3.43Å; L459-S462 PolarHBondContact O-N 3.16Å; Q460-S462 VanDerWaalsContact C-N 3.29Å; Q460-S462 PolarHBondContact O-N 2.87Å; S462-T466 WeakPolarHBondContact O-CG2 3.46Å
463Q70.2Confident64Low36 Ų3669.4 Ų69.417%0.16836%0.364CS..Hα-helixtrans-63-51.6172.9-69.8167.2-24.400111.6S270 D422 L459 Q460 Q461 N465 T466 V467S270-Q463 PolarHBondContact OG-NE2 3.02Å; D422-Q463 PolarHBondContact O-NE2 3.29Å; L459-Q463 WeakPolarHBondContact O-CG 3.4Å; L459-Q463 PolarHBondContact O-N 2.89Å; Q460-Q463 PolarHBondContact O-N 3.42Å; Q461-Q463 VanDerWaalsContact C-N 3.34Å; Q461-Q463 PolarHBondContact O-N 3.36Å; Q463-N465 VanDerWaalsContact C-N 3.34Å; Q463-N465 PolarHBondContact O-N 2.89Å; Q463-T466 WeakPolarHBondContact O-CB 3.24Å; Q463-T466 PolarHBondContact O-N 2.87Å; Q463-T466 PolarHBondContact O-OG1 3.02Å; Q463-V467 PolarHBondContact O-N 3.39Å
464L62.7Low61.1Low83 Ų8375.4 Ų75.444%0.43539%0.387SS..Hα-helixtrans-61.6-39.2-176.7-72.6171.7000112.7Q460 Q461 T466 V467 F468Q460-L464 WeakPolarHBondContact O-CB 3.33Å; Q460-L464 VanDerWaalsContact O-CG 3.29Å; Q460-L464 WeakPolarHBondContact O-CG 3.47Å; Q460-L464 PolarHBondContact O-N 3.36Å; Q461-L464 PolarHBondContact O-N 3.46Å; L464-T466 PolarHBondContact O-N 3.1Å; L464-V467 WeakPolarHBondContact O-CA 3.26Å; L464-V467 PolarHBondContact O-N 3.41Å; L464-F468 HydrophobicContact CB-CD2 4.1Å; L464-F468 HydrophobicContact CB-CE2 4.11Å; L464-F468 HydrophobicContact CD2-CE2 4Å; L464-F468 VanDerWaalsContact O-CD2 3.28Å; L464-F468 WeakPolarHBondContact O-CD2 3.48Å; L464-F468 PolarHBondContact O-N 3.41Å
465N59.5Low58Low115 Ų11583.9 Ų83.962%0.61543%0.425SS*.Hα-helixtrans-64.1-22.4177.4-73.2-25.1000112.7Q461 Q463Q461-N465 VanDerWaalsContact O-CB 3.31Å; Q461-N465 WeakPolarHBondContact O-CB 3.35Å; Q461-N465 PolarHBondContact O-N 2.82Å; Q461-N465 PolarHBondContact O-ND2 3.46Å; Q463-N465 VanDerWaalsContact C-N 3.34Å; Q463-N465 PolarHBondContact O-N 2.89Å
466T55.6Low56.3Low6 Ų688.1 Ų88.14%0.03745%0.446CS..Hα-helixtrans-75.9-32.4169.973.70000112.1V233 S237 R241 M267 S462 Q463 L464 S469V233-T466 HydrophobicContact CG1-CG2 4.05Å; S237-T466 WeakPolarHBondContact OG-CG2 3.43Å; R241-T466 PolarHBondContact NH2-OG1 2.9Å; M267-T466 HydrophobicContact CE-CG2 4.44Å; M267-T466 HydrophobicContact SD-CG2 3.87Å; S462-T466 WeakPolarHBondContact O-CG2 3.46Å; Q463-T466 WeakPolarHBondContact O-CB 3.24Å; Q463-T466 PolarHBondContact O-N 2.87Å; Q463-T466 PolarHBondContact O-OG1 3.02Å; L464-T466 PolarHBondContact O-N 3.1Å; T466-S469 PolarHBondContact O-OG 2.95Å
467V44.6Very low54.5Low71 Ų7192.7 Ų92.743%0.4347%0.47SS..Hα-helixtrans-79.5-42.2-179.1-178.40000111.9Q463 L464 S469 F470Q463-V467 PolarHBondContact O-N 3.39Å; L464-V467 WeakPolarHBondContact O-CA 3.26Å; L464-V467 PolarHBondContact O-N 3.41Å; V467-S469 VanDerWaalsContact C-N 3.25Å; V467-S469 PolarHBondContact O-N 2.98Å; V467-F470 WeakPolarHBondContact O-CB 3.33Å; V467-F470 PolarHBondContact O-N 3.12Å
468F33.3Very low52.5Low130 Ų13093.9 Ų93.957%0.5747%0.474SS*.Hα-helixtrans-72.2-13.4-177.6-77.5-70.2000114.6L464 F470 H471L464-F468 HydrophobicContact CB-CD2 4.1Å; L464-F468 HydrophobicContact CB-CE2 4.11Å; L464-F468 HydrophobicContact CD2-CE2 4Å; L464-F468 VanDerWaalsContact O-CD2 3.28Å; L464-F468 WeakPolarHBondContact O-CD2 3.48Å; L464-F468 PolarHBondContact O-N 3.41Å; F468-F470 PolarHBondContact O-N 3.09Å; F468-H471 PolarHBondContact O-N 2.96Å
469S32.9Very low50.4Low36 Ų3696 Ų9625%0.25249%0.486SS..THydrogen-bonded Turntrans-69.2-6.4169.973.50000114.2T466 V467T466-S469 PolarHBondContact O-OG 2.95Å; V467-S469 VanDerWaalsContact C-N 3.25Å; V467-S469 PolarHBondContact O-N 2.98Å
470F31.7Very low47.9Very low120 Ų120101.6 Ų101.653%0.52651%0.514SS..THydrogen-bonded Turntrans-93.4-21.2176.2-104.1-97.7000114V467 F468V467-F470 WeakPolarHBondContact O-CB 3.33Å; V467-F470 PolarHBondContact O-N 3.12Å; F468-F470 PolarHBondContact O-N 3.09Å
471H26.8Very low45.4Very low158 Ų158104.1 Ų104.173%0.73153%0.529SS*.THydrogen-bonded Turntrans-95.4-11.8-175.5-9143.7000114.7F468 V473F468-H471 PolarHBondContact O-N 2.96Å; H471-V473 VanDerWaalsContact C-N 3.33Å
472S25.4Very low42.8Very low99 Ų99102.9 Ų102.969%0.69253%0.526SS*.THydrogen-bonded Turntrans-887177560000114.7
473V28.7Very low40.5Very low106 Ų106108.3 Ų108.364%0.64255%0.549SS*.THydrogen-bonded Turntrans-101.6-4.8175.9178.10000111.9H471H471-V473 VanDerWaalsContact C-N 3.33Å
474F28.8Very low38Very low185 Ų185114.3 Ų114.381%0.81158%0.581SS**  trans-130.272.8170.2-74.8-80.1000110.6
475Q26.3Very low35.8Very low263 Ų263117.2 Ų117.2100%1.22959%0.594SS**  trans-155.70148.8-112.4177.414.800111.1

Retrieved 475 of 475 residues in 824.4 ms (Link to these results)

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