F6WAQ5_MACMU Loading...

Insulin like growth factor 2 mRNA binding protein 3

AlphaFold DB , UniProt , Accession F6WAQ5, Species MACMU (Macaca mulatta, Rhesus macaque), Gene IGF2BP3, Length 579 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
1M59.2Low81.9Confident112 Ų11248.6 Ų48.655%0.55225%0.245SC*.  0124.60-78179-80.800109.5E47 H72 P75M1-E47 PolarHBondContact N-OE1 3.43Å; M1-E47 PolarHBondContact N-OE2 3.25Å; M1-H72 PolarHBondContact O-CE1 2.82Å; M1-H72 PolarHBondContact O-ND1 3.28Å; M1-P75 HydrophobicContact CE-CG 4.49Å; M1-P75 WeakPolarHBondContact SD-CD 3.48Å; M1-P75 HydrophobicContact SD-CG 3.19Å; M1-P75 WeakPolarHBondContact SD-CG 3.15Å
2N76.5Confident81.6Confident71 Ų7155.8 Ų55.838%0.3828%0.284SS..  trans-103.34.5-17063-35.4000115C44N2-C44 WeakPolarHBondContact CB-O 3.46Å; N2-C44 PolarHBondContact ND2-O 3.31Å; N2-C44 WeakPolarHBondContact O-CB 3.43Å; N2-C44 PolarHBondContact O-N 3.46Å
3K83.3Confident81.6Confident59 Ų5952.4 Ų52.426%0.25727%0.27SS..EExtended strand (participates in β ladder)trans-92.2140.5174.4-169.3178.7-155.985.40110.6D43 S73K3-D43 VanDerWaalsContact CB-OD1 3.29Å; K3-D43 WeakPolarHBondContact CB-OD1 3.34Å; K3-D43 WeakPolarHBondContact CD-OD1 3.36Å; K3-D43 WeakPolarHBondContact CG-OD1 3.35Å; K3-D43 IonicContact NZ-OD1 3.74Å; K3-D43 PolarHBondContact NZ-OD1 3.32Å; K3-D43 IonicContact NZ-OD2 3.83Å; K3-D43 PolarHBondContact NZ-OD2 3.27Å; K3-S73 VanDerWaalsContact C-CB 3.48Å; K3-S73 VanDerWaalsContact O-CB 3.24Å; K3-S73 WeakPolarHBondContact O-CB 3.48Å; K3-S73 PolarHBondContact O-N 3Å
4L86.1Confident81.9Confident0 Ų050.9 Ų50.90%027%0.269CS..EExtended strand (participates in β ladder)trans-111.7145178.3-65174.7000111.2F22 F41 V42 C44 A50 A53 I54 V70 E71L4-F22 HydrophobicContact CD1-CE1 4.04Å; L4-F22 HydrophobicContact CD1-CZ 4.39Å; L4-F41 VanDerWaalsContact O-CA 3.28Å; L4-F41 WeakPolarHBondContact O-CA 3.43Å; L4-V42 HydrophobicContact CB-CG1 3.98Å; L4-V42 HydrophobicContact CD1-CG1 4.21Å; L4-V42 PolarHBondContact N-O 3.31Å; L4-V42 PolarHBondContact O-N 2.82Å; L4-C44 WeakPolarHBondContact CD1-SG 3.38Å; L4-A50 HydrophobicContact CD2-CB 3.82Å; L4-A50 HydrophobicContact CG-CB 4.22Å; L4-A53 HydrophobicContact CD1-CB 3.51Å; L4-I54 HydrophobicContact CD2-CD1 3.76Å; L4-I54 HydrophobicContact CD2-CG1 3.71Å; L4-V70 HydrophobicContact CB-CG1 4.33Å; L4-V70 HydrophobicContact CD1-CG1 3.98Å; L4-V70 HydrophobicContact CD2-CG1 4.27Å; L4-V70 HydrophobicContact CG-CG1 4.44Å; L4-E71 CarbonylContact C-O 3.59Å; L4-E71 VanDerWaalsContact CA-O 3.29Å; L4-E71 WeakPolarHBondContact CA-O 3.49Å; L4-E71 WeakPolarHBondContact CD2-O 3.35Å
5Y88.8Confident82.3Confident75 Ų7551.5 Ų51.529%0.29428%0.277SS..EExtended strand (participates in β ladder)trans-102.5133.4165.5171.5-102.6000108.1Y39 F41 V70 E71Y5-Y39 HydrophobicContact CD2-CD2 4.15Å; Y5-Y39 VanDerWaalsContact CE2-CB 3.47Å; Y5-Y39 AromaticContact CE2-CD2 3.52Å; Y5-Y39 HydrophobicContact CE2-CD2 3.52Å; Y5-Y39 HydrophobicContact CE2-CE2 4.39Å; Y5-Y39 AromaticContact CE2-CG 3.63Å; Y5-Y39 HydrophobicContact CE2-CG 3.63Å; Y5-Y39 WeakPolarHBondContact OH-CB 3.24Å; Y5-F41 HydrophobicContact CD2-CD1 4.05Å; Y5-F41 AromaticContact CD2-CE1 3.48Å; Y5-F41 HydrophobicContact CD2-CE1 3.48Å; Y5-F41 VanDerWaalsContact CD2-CE1 3.48Å; Y5-F41 AromaticContact CD2-CZ 3.91Å; Y5-F41 HydrophobicContact CD2-CZ 3.91Å; Y5-F41 HydrophobicContact CE2-CE1 4.41Å; Y5-F41 HydrophobicContact CE2-CZ 4.43Å; Y5-F41 HydrophobicContact CG-CE1 4.24Å; Y5-V70 WeakPolarHBondContact O-CA 3.3Å; Y5-E71 PolarHBondContact N-O 3.49Å; Y5-E71 PolarHBondContact O-N 3.44Å
6I89.4Confident82.6Confident0 Ų052.7 Ų52.70%029%0.291CS..EExtended strand (participates in β ladder)trans-119102.2178.6-54.5167.6000106.6L9 L18 F22 F33 Y39 A40 V42 I68 E69 V70I6-L9 HydrophobicContact CG2-CD1 4.24Å; I6-L9 HydrophobicContact CG2-CD2 3.82Å; I6-L9 HydrophobicContact CG2-CG 4.19Å; I6-L18 HydrophobicContact CD1-CD1 4.33Å; I6-L18 HydrophobicContact CG2-CD2 4.32Å; I6-F22 HydrophobicContact CD1-CE2 3.65Å; I6-F22 HydrophobicContact CD1-CZ 3.71Å; I6-F22 HydrophobicContact CG1-CZ 4.35Å; I6-F33 HydrophobicContact CD1-CD1 3.81Å; I6-F33 HydrophobicContact CD1-CE1 3.59Å; I6-Y39 CarbonylContact O-C 3.54Å; I6-Y39 WeakPolarHBondContact O-CA 3.42Å; I6-Y39 VanDerWaalsContact O-CB 3.27Å; I6-Y39 WeakPolarHBondContact O-CB 3.25Å; I6-A40 HydrophobicContact CB-CB 4.24Å; I6-A40 HydrophobicContact CD1-CB 4.41Å; I6-A40 PolarHBondContact N-O 3.16Å; I6-A40 PolarHBondContact O-N 3.13Å; I6-V42 HydrophobicContact CD1-CG1 4.01Å; I6-I68 HydrophobicContact CG2-CB 4.38Å; I6-E69 CarbonylContact C-O 3.47Å; I6-E69 VanDerWaalsContact CA-O 3.25Å; I6-E69 WeakPolarHBondContact CA-O 3.49Å; I6-V70 HydrophobicContact CG1-CG1 4.44Å; I6-V70 HydrophobicContact CG1-CG2 4.3Å; I6-V70 HydrophobicContact CG2-CG2 4.32Å
7G85.9Confident82.9Confident1 Ų152.3 Ų52.31%0.0129%0.288CS..EExtended strand (participates in β ladder)trans-92.6176.4-179.900000113.6L9 E69G7-L9 VanDerWaalsContact C-N 3.26Å; G7-L9 PolarHBondContact O-N 3.12Å; G7-E69 PolarHBondContact N-O 3.47Å; G7-E69 PolarHBondContact O-N 2.97Å
8N86.6Confident83.2Confident62 Ų6249.4 Ų49.433%0.33227%0.272SS..SBendtrans58.131.1177.6-160.230.1000114.8G38 P67 E69N8-G38 PolarHBondContact N-O 3.14Å; N8-P67 WeakPolarHBondContact CB-O 3.45Å; N8-P67 PolarHBondContact ND2-O 2.97Å; N8-E69 HydrophobicContact CB-CG 4.41Å
9L86.1Confident83.5Confident6 Ų652 Ų523%0.03128%0.282CS..  trans-77149176.1-60.4-176.7000111.2I6 G7 A13 L18 G38 A40 L63 I68I6-L9 HydrophobicContact CG2-CD1 4.24Å; I6-L9 HydrophobicContact CG2-CD2 3.82Å; I6-L9 HydrophobicContact CG2-CG 4.19Å; G7-L9 VanDerWaalsContact C-N 3.26Å; G7-L9 PolarHBondContact O-N 3.12Å; L9-A13 HydrophobicContact CB-CB 4.05Å; L9-A13 HydrophobicContact CD1-CB 4.49Å; L9-L18 HydrophobicContact CD1-CD1 3.87Å; L9-L18 HydrophobicContact CD1-CD2 4.43Å; L9-L18 HydrophobicContact CD2-CD2 3.96Å; L9-G38 PolarHBondContact N-O 2.94Å; L9-G38 VanDerWaalsContact N-O 3.08Å; L9-G38 WeakPolarHBondContact O-CA 3.48Å; L9-A40 HydrophobicContact CD1-CB 3.57Å; L9-L63 HydrophobicContact CD2-CD2 4.01Å; L9-I68 HydrophobicContact CD2-CB 4.37Å; L9-I68 HydrophobicContact CD2-CG2 3.73Å
10S81.1Confident83.7Confident24 Ų2452.4 Ų52.417%0.16829%0.289CS..  trans-67.8151.4168.5-178.20000110.8N12 A13S10-N12 PolarHBondContact O-N 3.49Å; S10-N12 VanDerWaalsContact O-N 3.11Å; S10-A13 VanDerWaalsContact O-CB 3.23Å; S10-A13 WeakPolarHBondContact O-CB 3.34Å; S10-A13 PolarHBondContact O-N 2.99Å
11D78.1Confident83.9Confident125 Ų12550.9 Ų50.967%0.66828%0.28SS*.THydrogen-bonded Turntrans-62.4-17.9176-65.6-40.1000112.8
12N78.7Confident85.4Confident135 Ų13545.6 Ų45.672%0.72225%0.254SS*.THydrogen-bonded Turntrans-94.72.7176.1-63.2-25.6000113.8S10 A14S10-N12 PolarHBondContact O-N 3.49Å; S10-N12 VanDerWaalsContact O-N 3.11Å; N12-A14 PolarHBondContact O-N 3.47Å
13A80.5Confident86Confident11 Ų1150.2 Ų50.29%0.09127%0.271CS..  trans-65.2123.4-177.600000111.1L9 S10 V35 L63L9-A13 HydrophobicContact CB-CB 4.05Å; L9-A13 HydrophobicContact CD1-CB 4.49Å; S10-A13 VanDerWaalsContact O-CB 3.23Å; S10-A13 WeakPolarHBondContact O-CB 3.34Å; S10-A13 PolarHBondContact O-N 2.99Å; A13-V35 WeakPolarHBondContact O-CG1 3.28Å; A13-L63 HydrophobicContact CB-CD2 3.81Å
14A86.8Confident86.2Confident32 Ų3253.1 Ų53.126%0.26429%0.289SS..  trans-95.9152.7176.600000111.3N12 S16 D17N12-A14 PolarHBondContact O-N 3.47Å; A14-S16 WeakPolarHBondContact CB-OG 3.2Å; A14-S16 PolarHBondContact O-N 3.37Å; A14-D17 PolarHBondContact N-OD2 3.36Å; A14-D17 WeakPolarHBondContact O-CB 3.21Å; A14-D17 PolarHBondContact O-N 3.15Å
15P87Confident86.2Confident59 Ų5954.9 Ų54.938%0.38330%0.304SS..Hα-helixtrans-53.8-36.4173.2-24.332000113.1D17 L18 E19 F33 V35P15-D17 VanDerWaalsContact C-N 3.27Å; P15-D17 PolarHBondContact O-N 3.11Å; P15-L18 PolarHBondContact O-N 3.41Å; P15-E19 WeakPolarHBondContact O-CG 3.29Å; P15-E19 PolarHBondContact O-N 2.91Å; P15-F33 HydrophobicContact CB-CB 4.27Å; P15-V35 HydrophobicContact CB-CG2 4.04Å; P15-V35 HydrophobicContact CG-CB 4.27Å; P15-V35 HydrophobicContact CG-CG2 3.73Å
16S87.5Confident86.2Confident71 Ų7159.6 Ų59.650%0.49733%0.326SS..Hα-helixtrans-60.5-33.1177.249.20000113.5A14 E19 S20A14-S16 WeakPolarHBondContact CB-OG 3.2Å; A14-S16 PolarHBondContact O-N 3.37Å; S16-E19 PolarHBondContact O-N 3.36Å; S16-S20 PolarHBondContact O-N 2.97Å; S16-S20 VanDerWaalsContact O-N 3.07Å
17D87.6Confident86.1Confident46 Ų4660.1 Ų60.125%0.24633%0.328CS..Hα-helixtrans-68.7-42.7-179.7-56.4-21000110.2A14 P15 S20 I21 L63 H64A14-D17 PolarHBondContact N-OD2 3.36Å; A14-D17 WeakPolarHBondContact O-CB 3.21Å; A14-D17 PolarHBondContact O-N 3.15Å; P15-D17 VanDerWaalsContact C-N 3.27Å; P15-D17 PolarHBondContact O-N 3.11Å; D17-S20 PolarHBondContact O-N 3.39Å; D17-I21 WeakPolarHBondContact O-CG1 3.41Å; D17-I21 PolarHBondContact O-N 2.92Å; D17-I21 VanDerWaalsContact O-N 3.13Å; D17-L63 HydrophobicContact CB-CD1 3.7Å; D17-L63 HydrophobicContact CB-CD2 4.22Å; D17-H64 IonicContact OD2-CE1 2.77Å; D17-H64 IonicContact OD2-NE2 3.64Å; D17-H64 PolarHBondContact OD2-NE2 3.18Å
18L87.9Confident86.2Confident0 Ų062.6 Ų62.60%034%0.344CS..Hα-helixtrans-70.9-35.5177.1-62.2175.4000112I6 L9 P15 S20 I21 F22 F33 V35 A40 L63I6-L18 HydrophobicContact CD1-CD1 4.33Å; I6-L18 HydrophobicContact CG2-CD2 4.32Å; L9-L18 HydrophobicContact CD1-CD1 3.87Å; L9-L18 HydrophobicContact CD1-CD2 4.43Å; L9-L18 HydrophobicContact CD2-CD2 3.96Å; P15-L18 PolarHBondContact O-N 3.41Å; L18-S20 VanDerWaalsContact C-N 3.32Å; L18-S20 PolarHBondContact O-N 2.97Å; L18-I21 PolarHBondContact O-N 3.02Å; L18-F22 WeakPolarHBondContact O-CD2 3.31Å; L18-F22 PolarHBondContact O-N 3.35Å; L18-F33 HydrophobicContact CB-CD1 3.53Å; L18-F33 HydrophobicContact CB-CD2 4.28Å; L18-F33 HydrophobicContact CB-CE1 3.65Å; L18-F33 HydrophobicContact CB-CE2 4.38Å; L18-F33 HydrophobicContact CB-CG 3.86Å; L18-F33 HydrophobicContact CB-CZ 4.08Å; L18-F33 HydrophobicContact CD1-CB 4.32Å; L18-F33 HydrophobicContact CD1-CD1 3.7Å; L18-F33 HydrophobicContact CD1-CE1 4.39Å; L18-F33 HydrophobicContact CD1-CG 4.25Å; L18-F33 HydrophobicContact CG-CD1 4.26Å; L18-V35 HydrophobicContact CD1-CG2 3.83Å; L18-A40 HydrophobicContact CD1-CB 3.46Å; L18-A40 VanDerWaalsContact CD1-CB 3.46Å; L18-L63 HydrophobicContact CD2-CD2 3.98Å
19E88.7Confident86.3Confident99 Ų9962.2 Ų62.246%0.46334%0.344SS..Hα-helixtrans-60.2-42.2172.6-75177.1-174.500111.5P15 S16 K23 F33P15-E19 WeakPolarHBondContact O-CG 3.29Å; P15-E19 PolarHBondContact O-N 2.91Å; S16-E19 PolarHBondContact O-N 3.36Å; E19-K23 WeakPolarHBondContact O-CB 3.38Å; E19-K23 PolarHBondContact O-N 3.26Å; E19-F33 HydrophobicContact CB-CD2 4.5Å; E19-F33 HydrophobicContact CB-CE2 4.29Å; E19-F33 HydrophobicContact CG-CD2 3.47Å; E19-F33 VanDerWaalsContact CG-CD2 3.47Å; E19-F33 HydrophobicContact CG-CE2 3.6Å
20S87.4Confident86.1Confident60 Ų6065.6 Ų65.642%0.4237%0.368SS..Hα-helixtrans-63.5-46.9175.4-160.20000111.3S16 D17 L18 F22 K23 D24S16-S20 PolarHBondContact O-N 2.97Å; S16-S20 VanDerWaalsContact O-N 3.07Å; D17-S20 PolarHBondContact O-N 3.39Å; L18-S20 VanDerWaalsContact C-N 3.32Å; L18-S20 PolarHBondContact O-N 2.97Å; S20-F22 PolarHBondContact O-N 3.15Å; S20-K23 PolarHBondContact O-N 3.05Å; S20-D24 WeakPolarHBondContact O-CB 3.41Å; S20-D24 PolarHBondContact O-N 3.26Å
21I89.1Confident86Confident20 Ų2065.4 Ų65.410%0.10337%0.37CS..Hα-helixtrans-59.4-47.3-179.4-71.3168.9000111.8D17 L18 K23 D24 A25 L57 I61 L63 I68D17-I21 WeakPolarHBondContact O-CG1 3.41Å; D17-I21 PolarHBondContact O-N 2.92Å; D17-I21 VanDerWaalsContact O-N 3.13Å; L18-I21 PolarHBondContact O-N 3.02Å; I21-K23 VanDerWaalsContact C-N 3.33Å; I21-D24 PolarHBondContact O-N 2.91Å; I21-A25 WeakPolarHBondContact O-CB 3.46Å; I21-A25 PolarHBondContact O-N 3.46Å; I21-L57 HydrophobicContact CG2-CD2 3.96Å; I21-I61 HydrophobicContact CD1-CG2 4.13Å; I21-I61 HydrophobicContact CG1-CG2 4.33Å; I21-I61 HydrophobicContact CG2-CD1 3.82Å; I21-I61 HydrophobicContact CG2-CG2 4.1Å; I21-L63 HydrophobicContact CD1-CB 4.15Å; I21-L63 HydrophobicContact CD1-CD1 3.73Å; I21-L63 HydrophobicContact CD1-CG 4.33Å; I21-I68 HydrophobicContact CD1-CD1 4.42Å; I21-I68 HydrophobicContact CG2-CD1 4.12Å
22F90Very high86.3Confident2 Ų264 Ų641%0.00937%0.368CS..Hα-helixtrans-70.3-32.2179.9-84.7-113000112.1L4 I6 L18 S20 K26 I27 V29 F33 V42 A53 L57L4-F22 HydrophobicContact CD1-CE1 4.04Å; L4-F22 HydrophobicContact CD1-CZ 4.39Å; I6-F22 HydrophobicContact CD1-CE2 3.65Å; I6-F22 HydrophobicContact CD1-CZ 3.71Å; I6-F22 HydrophobicContact CG1-CZ 4.35Å; L18-F22 WeakPolarHBondContact O-CD2 3.31Å; L18-F22 PolarHBondContact O-N 3.35Å; S20-F22 PolarHBondContact O-N 3.15Å; F22-K26 PolarHBondContact O-N 3.49Å; F22-I27 HydrophobicContact CD1-CB 4.09Å; F22-I27 HydrophobicContact CD1-CG2 3.77Å; F22-I27 HydrophobicContact CE1-CG2 4.25Å; F22-I27 PolarHBondContact O-N 3.45Å; F22-V29 HydrophobicContact CB-CG1 4.29Å; F22-V29 HydrophobicContact CD1-CG1 3.67Å; F22-V29 HydrophobicContact CE1-CG1 4.35Å; F22-V29 HydrophobicContact CG-CG1 4.25Å; F22-F33 HydrophobicContact CB-CZ 3.91Å; F22-F33 HydrophobicContact CD1-CZ 4.07Å; F22-F33 AromaticContact CD2-CE1 3.67Å; F22-F33 HydrophobicContact CD2-CE1 3.67Å; F22-F33 AromaticContact CD2-CZ 3.5Å; F22-F33 HydrophobicContact CD2-CZ 3.5Å; F22-F33 VanDerWaalsContact CD2-CZ 3.5Å; F22-F33 HydrophobicContact CE1-CE1 4.49Å; F22-F33 HydrophobicContact CE1-CZ 4.47Å; F22-F33 AromaticContact CE2-CE1 3.65Å; F22-F33 HydrophobicContact CE2-CE1 3.65Å; F22-F33 AromaticContact CE2-CZ 3.96Å; F22-F33 HydrophobicContact CE2-CZ 3.96Å; F22-F33 HydrophobicContact CG-CE1 4.12Å; F22-F33 AromaticContact CG-CZ 3.55Å; F22-F33 HydrophobicContact CG-CZ 3.55Å; F22-F33 HydrophobicContact CZ-CE1 4.08Å; F22-F33 HydrophobicContact CZ-CZ 4.43Å; F22-V42 HydrophobicContact CE1-CG1 3.99Å; F22-V42 HydrophobicContact CZ-CG1 4.05Å; F22-A53 HydrophobicContact CE1-CB 4.05Å; F22-L57 HydrophobicContact CD1-CD1 3.87Å; F22-L57 HydrophobicContact CD2-CD1 3.68Å; F22-L57 HydrophobicContact CE1-CD1 3.56Å; F22-L57 HydrophobicContact CE2-CD1 3.37Å; F22-L57 HydrophobicContact CG-CD1 3.93Å; F22-L57 HydrophobicContact CZ-CD1 3.3Å
23K88.8Confident86.7Confident167 Ų16758 Ų5873%0.72634%0.335SS*.Hα-helixtrans-67.6-43.6174-172.9-179.9-178.9-175.30111.9E19 S20 I21 A25 K26E19-K23 WeakPolarHBondContact O-CB 3.38Å; E19-K23 PolarHBondContact O-N 3.26Å; S20-K23 PolarHBondContact O-N 3.05Å; I21-K23 VanDerWaalsContact C-N 3.33Å; K23-A25 VanDerWaalsContact C-N 3.31Å; K23-A25 PolarHBondContact O-N 3.03Å; K23-K26 WeakPolarHBondContact O-CA 3.35Å; K23-K26 PolarHBondContact O-N 2.95Å
24D88.3Confident86.9Confident120 Ų12061.8 Ų61.864%0.64235%0.354SS*.Hα-helixtrans-65.1-37.7178.3-69.4-20.6000111.3S20 I21 K26S20-D24 WeakPolarHBondContact O-CB 3.41Å; S20-D24 PolarHBondContact O-N 3.26Å; I21-D24 PolarHBondContact O-N 2.91Å; D24-K26 PolarHBondContact O-N 2.88Å
25A85.3Confident87Confident37 Ų3762.2 Ų62.231%0.30635%0.353SS..THydrogen-bonded Turntrans-76.42.117300000114.3I21 K23 I27 L57I21-A25 WeakPolarHBondContact O-CB 3.46Å; I21-A25 PolarHBondContact O-N 3.46Å; K23-A25 VanDerWaalsContact C-N 3.31Å; K23-A25 PolarHBondContact O-N 3.03Å; A25-I27 HydrophobicContact CB-CD1 3.68Å; A25-I27 HydrophobicContact CB-CG1 4.21Å; A25-I27 PolarHBondContact O-N 2.99Å; A25-L57 HydrophobicContact CB-CD2 3.53Å
26K89.2Confident86.7Confident175 Ų17564.9 Ų64.976%0.76136%0.358SS*.THydrogen-bonded Turntrans55.434.5-179.2-56.7179.1-179176.80113.3F22 K23 D24F22-K26 PolarHBondContact O-N 3.49Å; K23-K26 WeakPolarHBondContact O-CA 3.35Å; K23-K26 PolarHBondContact O-N 2.95Å; D24-K26 PolarHBondContact O-N 2.88Å
27I88.3Confident86.3Confident10 Ų1066.9 Ų66.95%0.05137%0.367CS..  trans-98.6114.3177.9-65.7156000108.5F22 A25 A53 A56 L57F22-I27 HydrophobicContact CD1-CB 4.09Å; F22-I27 HydrophobicContact CD1-CG2 3.77Å; F22-I27 HydrophobicContact CE1-CG2 4.25Å; F22-I27 PolarHBondContact O-N 3.45Å; A25-I27 HydrophobicContact CB-CD1 3.68Å; A25-I27 HydrophobicContact CB-CG1 4.21Å; A25-I27 PolarHBondContact O-N 2.99Å; I27-A53 HydrophobicContact CD1-CB 3.8Å; I27-A53 HydrophobicContact CG1-CB 4.44Å; I27-A53 HydrophobicContact CG2-CB 3.89Å; I27-A56 HydrophobicContact CD1-CB 4.26Å; I27-L57 HydrophobicContact CD1-CD1 3.65Å; I27-L57 HydrophobicContact CD1-CD2 4.1Å; I27-L57 HydrophobicContact CD1-CG 3.79Å
28P87.1Confident85.9Confident53 Ų5365.7 Ų65.734%0.34437%0.367SS..  trans-68.5138.3174.328.8-32.7000110.6P45 W49P28-P45 HydrophobicContact CB-CG 3.98Å; P28-P45 HydrophobicContact CG-CG 3.96Å; P28-P45 WeakPolarHBondContact O-CD 3.29Å; P28-W49 VanDerWaalsContact CD-CE3 3.46Å; P28-W49 HydrophobicContact CG-CD2 3.66Å; P28-W49 HydrophobicContact CG-CE3 4.07Å; P28-W49 HydrophobicContact CG-CG 3.97Å; P28-W49 HydrophobicContact CG-CH2 4.41Å; P28-W49 HydrophobicContact CG-CZ2 4.08Å; P28-W49 HydrophobicContact CG-CZ3 4.41Å
29V88.8Confident85.8Confident54 Ų5468.8 Ų68.833%0.32738%0.379SS..  trans-115.2145.3173-64.20000109.4F22 F33 V42F22-V29 HydrophobicContact CB-CG1 4.29Å; F22-V29 HydrophobicContact CD1-CG1 3.67Å; F22-V29 HydrophobicContact CE1-CG1 4.35Å; F22-V29 HydrophobicContact CG-CG1 4.25Å; V29-F33 HydrophobicContact CG1-CE2 4.29Å; V29-F33 HydrophobicContact CG1-CZ 3.99Å; V29-F33 HydrophobicContact CG2-CE2 4.27Å; V29-V42 HydrophobicContact CB-CG2 3.7Å; V29-V42 HydrophobicContact CG1-CG2 3.58Å
30S81.4Confident85.8Confident77 Ų7764.1 Ų64.154%0.53836%0.357SS..SBendtrans-105.69.6-175.6-66.60000113.8D43 P45S30-D43 PolarHBondContact N-O 3.16Å; S30-P45 WeakPolarHBondContact OG-CA 3.47Å; S30-P45 WeakPolarHBondContact OG-CD 3.48Å; S30-P45 VanDerWaalsContact OG-CG 3.28Å; S30-P45 WeakPolarHBondContact OG-CG 3.2Å; S30-P45 VanDerWaalsContact OG-N 3.07Å
31G79.3Confident86Confident20 Ų2063.5 Ų63.521%0.20635%0.347CS..SBendtrans-167.8169.5176.900000112
32P84.4Confident86Confident96 Ų9662.5 Ų62.562%0.62334%0.342SS*.  trans-68.6152178.529.7-35.1000111.6L34P32-L34 PolarHBondContact O-N 3.36Å
33F88.4Confident85.9Confident8 Ų864.8 Ų64.84%0.03535%0.354CS..  trans-69.7118.1172.8-71.7-96.7000110.5I6 P15 L18 E19 F22 V29 V35 V42I6-F33 HydrophobicContact CD1-CD1 3.81Å; I6-F33 HydrophobicContact CD1-CE1 3.59Å; P15-F33 HydrophobicContact CB-CB 4.27Å; L18-F33 HydrophobicContact CB-CD1 3.53Å; L18-F33 HydrophobicContact CB-CD2 4.28Å; L18-F33 HydrophobicContact CB-CE1 3.65Å; L18-F33 HydrophobicContact CB-CE2 4.38Å; L18-F33 HydrophobicContact CB-CG 3.86Å; L18-F33 HydrophobicContact CB-CZ 4.08Å; L18-F33 HydrophobicContact CD1-CB 4.32Å; L18-F33 HydrophobicContact CD1-CD1 3.7Å; L18-F33 HydrophobicContact CD1-CE1 4.39Å; L18-F33 HydrophobicContact CD1-CG 4.25Å; L18-F33 HydrophobicContact CG-CD1 4.26Å; E19-F33 HydrophobicContact CB-CD2 4.5Å; E19-F33 HydrophobicContact CB-CE2 4.29Å; E19-F33 HydrophobicContact CG-CD2 3.47Å; E19-F33 VanDerWaalsContact CG-CD2 3.47Å; E19-F33 HydrophobicContact CG-CE2 3.6Å; F22-F33 HydrophobicContact CB-CZ 3.91Å; F22-F33 HydrophobicContact CD1-CZ 4.07Å; F22-F33 AromaticContact CD2-CE1 3.67Å; F22-F33 HydrophobicContact CD2-CE1 3.67Å; F22-F33 AromaticContact CD2-CZ 3.5Å; F22-F33 HydrophobicContact CD2-CZ 3.5Å; F22-F33 VanDerWaalsContact CD2-CZ 3.5Å; F22-F33 HydrophobicContact CE1-CE1 4.49Å; F22-F33 HydrophobicContact CE1-CZ 4.47Å; F22-F33 AromaticContact CE2-CE1 3.65Å; F22-F33 HydrophobicContact CE2-CE1 3.65Å; F22-F33 AromaticContact CE2-CZ 3.96Å; F22-F33 HydrophobicContact CE2-CZ 3.96Å; F22-F33 HydrophobicContact CG-CE1 4.12Å; F22-F33 AromaticContact CG-CZ 3.55Å; F22-F33 HydrophobicContact CG-CZ 3.55Å; F22-F33 HydrophobicContact CZ-CE1 4.08Å; F22-F33 HydrophobicContact CZ-CZ 4.43Å; V29-F33 HydrophobicContact CG1-CE2 4.29Å; V29-F33 HydrophobicContact CG1-CZ 3.99Å; V29-F33 HydrophobicContact CG2-CE2 4.27Å; F33-V35 HydrophobicContact CB-CG2 4.11Å; F33-V35 PolarHBondContact O-N 2.97Å; F33-V42 HydrophobicContact CD1-CB 3.69Å; F33-V42 HydrophobicContact CD1-CG1 4.22Å; F33-V42 HydrophobicContact CD1-CG2 4.03Å; F33-V42 HydrophobicContact CD2-CG2 4.28Å; F33-V42 HydrophobicContact CE1-CB 3.63Å; F33-V42 HydrophobicContact CE1-CG1 3.73Å; F33-V42 HydrophobicContact CE1-CG2 3.81Å; F33-V42 HydrophobicContact CE2-CG2 4.08Å; F33-V42 HydrophobicContact CG-CB 4.3Å; F33-V42 HydrophobicContact CG-CG2 4.26Å; F33-V42 HydrophobicContact CZ-CB 4.19Å; F33-V42 HydrophobicContact CZ-CG1 4.33Å; F33-V42 HydrophobicContact CZ-CG2 3.85Å
34L84.8Confident85.8Confident92 Ų9256.8 Ų56.848%0.48232%0.319SS..EExtended strand (participates in β ladder)trans-86.681174.3-67.9168.9000109.2P32 A40 F41P32-L34 PolarHBondContact O-N 3.36Å; L34-A40 CarbonylContact O-C 3.54Å; L34-A40 VanDerWaalsContact O-CA 3.29Å; L34-A40 WeakPolarHBondContact O-CA 3.46Å; L34-F41 HydrophobicContact CB-CB 4.3Å; L34-F41 PolarHBondContact N-O 2.99Å; L34-F41 PolarHBondContact O-N 3.33Å
35V86.9Confident85.5Confident41 Ų4153.1 Ų53.125%0.24830%0.302CS..EExtended strand (participates in β ladder)trans-78.2138.4-179.7-170.60000111.2A13 P15 L18 F33 A40A13-V35 WeakPolarHBondContact O-CG1 3.28Å; P15-V35 HydrophobicContact CB-CG2 4.04Å; P15-V35 HydrophobicContact CG-CB 4.27Å; P15-V35 HydrophobicContact CG-CG2 3.73Å; L18-V35 HydrophobicContact CD1-CG2 3.83Å; F33-V35 HydrophobicContact CB-CG2 4.11Å; F33-V35 PolarHBondContact O-N 2.97Å; V35-A40 HydrophobicContact CB-CB 4.31Å; V35-A40 HydrophobicContact CG1-CB 4.47Å; V35-A40 HydrophobicContact CG2-CB 3.92Å
36K81.7Confident85.4Confident115 Ų11555.3 Ų55.350%0.531%0.308SS..EExtended strand (participates in β ladder)trans-134.8170.2173.7-70.1-173.8173.4-172.80108.9G38 Y39K36-G38 PolarHBondContact O-N 3.48Å; K36-Y39 CarbonylContact C-O 3.58Å; K36-Y39 WeakPolarHBondContact CA-O 3.25Å; K36-Y39 HydrophobicContact CB-CD1 4.36Å; K36-Y39 HydrophobicContact CB-CD2 4.29Å; K36-Y39 HydrophobicContact CB-CE1 4Å; K36-Y39 HydrophobicContact CB-CE2 3.95Å; K36-Y39 HydrophobicContact CD-CE1 4.41Å; K36-Y39 HydrophobicContact CD-CE2 3.58Å; K36-Y39 VanDerWaalsContact CD-CZ 3.47Å; K36-Y39 WeakPolarHBondContact CD-OH 3.16Å; K36-Y39 HydrophobicContact CG-CE2 4.26Å; K36-Y39 PolarHBondContact N-O 3.49Å; K36-Y39 PolarHBondContact O-N 3.48Å; K36-Y39 VanDerWaalsContact O-N 3.17Å
37T79.3Confident84.9Confident112 Ų11252 Ų5269%0.68730%0.296SS*.THydrogen-bonded Turntrans-58.3112.3175.850.50000110.2Y39T37-Y39 VanDerWaalsContact O-CD1 3.3Å; T37-Y39 WeakPolarHBondContact O-CD1 3.35Å
38G78.1Confident84.6Confident22 Ų2254.6 Ų54.623%0.22731%0.314CS..THydrogen-bonded Turntrans85.2-7178.600000117N8 L9 K36N8-G38 PolarHBondContact N-O 3.14Å; L9-G38 PolarHBondContact N-O 2.94Å; L9-G38 VanDerWaalsContact N-O 3.08Å; L9-G38 WeakPolarHBondContact O-CA 3.48Å; K36-G38 PolarHBondContact O-N 3.48Å
39Y87.5Confident84.6Confident65 Ų6555.6 Ų55.626%0.25531%0.312SS..EExtended strand (participates in β ladder)trans-163.3162.1-177.964.6-83.9000114.4Y5 I6 K36 T37 F41Y5-Y39 HydrophobicContact CD2-CD2 4.15Å; Y5-Y39 VanDerWaalsContact CE2-CB 3.47Å; Y5-Y39 AromaticContact CE2-CD2 3.52Å; Y5-Y39 HydrophobicContact CE2-CD2 3.52Å; Y5-Y39 HydrophobicContact CE2-CE2 4.39Å; Y5-Y39 AromaticContact CE2-CG 3.63Å; Y5-Y39 HydrophobicContact CE2-CG 3.63Å; Y5-Y39 WeakPolarHBondContact OH-CB 3.24Å; I6-Y39 CarbonylContact O-C 3.54Å; I6-Y39 WeakPolarHBondContact O-CA 3.42Å; I6-Y39 VanDerWaalsContact O-CB 3.27Å; I6-Y39 WeakPolarHBondContact O-CB 3.25Å; K36-Y39 CarbonylContact C-O 3.58Å; K36-Y39 WeakPolarHBondContact CA-O 3.25Å; K36-Y39 HydrophobicContact CB-CD1 4.36Å; K36-Y39 HydrophobicContact CB-CD2 4.29Å; K36-Y39 HydrophobicContact CB-CE1 4Å; K36-Y39 HydrophobicContact CB-CE2 3.95Å; K36-Y39 HydrophobicContact CD-CE1 4.41Å; K36-Y39 HydrophobicContact CD-CE2 3.58Å; K36-Y39 VanDerWaalsContact CD-CZ 3.47Å; K36-Y39 WeakPolarHBondContact CD-OH 3.16Å; K36-Y39 HydrophobicContact CG-CE2 4.26Å; K36-Y39 PolarHBondContact N-O 3.49Å; K36-Y39 PolarHBondContact O-N 3.48Å; K36-Y39 VanDerWaalsContact O-N 3.17Å; T37-Y39 VanDerWaalsContact O-CD1 3.3Å; T37-Y39 WeakPolarHBondContact O-CD1 3.35Å; Y39-F41 HydrophobicContact CD2-CD2 4.42Å; Y39-F41 AromaticContact CD2-CE2 3.86Å; Y39-F41 HydrophobicContact CD2-CE2 3.86Å; Y39-F41 HydrophobicContact CD2-CZ 4.1Å; Y39-F41 HydrophobicContact CE2-CD2 4.33Å; Y39-F41 AromaticContact CE2-CE2 3.49Å; Y39-F41 HydrophobicContact CE2-CE2 3.49Å; Y39-F41 VanDerWaalsContact CE2-CE2 3.49Å; Y39-F41 AromaticContact CE2-CZ 3.86Å; Y39-F41 HydrophobicContact CE2-CZ 3.86Å
40A88.9Confident84.3Confident0 Ų053 Ų530%030%0.296CS..EExtended strand (participates in β ladder)trans-135.1164.5175.300000112.6I6 L9 L18 L34 V35I6-A40 HydrophobicContact CB-CB 4.24Å; I6-A40 HydrophobicContact CD1-CB 4.41Å; I6-A40 PolarHBondContact N-O 3.16Å; I6-A40 PolarHBondContact O-N 3.13Å; L9-A40 HydrophobicContact CD1-CB 3.57Å; L18-A40 HydrophobicContact CD1-CB 3.46Å; L18-A40 VanDerWaalsContact CD1-CB 3.46Å; L34-A40 CarbonylContact O-C 3.54Å; L34-A40 VanDerWaalsContact O-CA 3.29Å; L34-A40 WeakPolarHBondContact O-CA 3.46Å; V35-A40 HydrophobicContact CB-CB 4.31Å; V35-A40 HydrophobicContact CG1-CB 4.47Å; V35-A40 HydrophobicContact CG2-CB 3.92Å
41F89.9Confident84.3Confident47 Ų4754 Ų5421%0.20629%0.294CS..EExtended strand (participates in β ladder)trans-126.3145.9167.1-57.3-84.4000111.4L4 Y5 L34 Y39L4-F41 VanDerWaalsContact O-CA 3.28Å; L4-F41 WeakPolarHBondContact O-CA 3.43Å; Y5-F41 HydrophobicContact CD2-CD1 4.05Å; Y5-F41 AromaticContact CD2-CE1 3.48Å; Y5-F41 HydrophobicContact CD2-CE1 3.48Å; Y5-F41 VanDerWaalsContact CD2-CE1 3.48Å; Y5-F41 AromaticContact CD2-CZ 3.91Å; Y5-F41 HydrophobicContact CD2-CZ 3.91Å; Y5-F41 HydrophobicContact CE2-CE1 4.41Å; Y5-F41 HydrophobicContact CE2-CZ 4.43Å; Y5-F41 HydrophobicContact CG-CE1 4.24Å; L34-F41 HydrophobicContact CB-CB 4.3Å; L34-F41 PolarHBondContact N-O 2.99Å; L34-F41 PolarHBondContact O-N 3.33Å; Y39-F41 HydrophobicContact CD2-CD2 4.42Å; Y39-F41 AromaticContact CD2-CE2 3.86Å; Y39-F41 HydrophobicContact CD2-CE2 3.86Å; Y39-F41 HydrophobicContact CD2-CZ 4.1Å; Y39-F41 HydrophobicContact CE2-CD2 4.33Å; Y39-F41 AromaticContact CE2-CE2 3.49Å; Y39-F41 HydrophobicContact CE2-CE2 3.49Å; Y39-F41 VanDerWaalsContact CE2-CE2 3.49Å; Y39-F41 AromaticContact CE2-CZ 3.86Å; Y39-F41 HydrophobicContact CE2-CZ 3.86Å
42V90.4Very high84.7Confident0 Ų058.2 Ų58.20%031%0.307CS..EExtended strand (participates in β ladder)trans-140.9144.7172.6680000110.3L4 I6 F22 V29 F33L4-V42 HydrophobicContact CB-CG1 3.98Å; L4-V42 HydrophobicContact CD1-CG1 4.21Å; L4-V42 PolarHBondContact N-O 3.31Å; L4-V42 PolarHBondContact O-N 2.82Å; I6-V42 HydrophobicContact CD1-CG1 4.01Å; F22-V42 HydrophobicContact CE1-CG1 3.99Å; F22-V42 HydrophobicContact CZ-CG1 4.05Å; V29-V42 HydrophobicContact CB-CG2 3.7Å; V29-V42 HydrophobicContact CG1-CG2 3.58Å; F33-V42 HydrophobicContact CD1-CB 3.69Å; F33-V42 HydrophobicContact CD1-CG1 4.22Å; F33-V42 HydrophobicContact CD1-CG2 4.03Å; F33-V42 HydrophobicContact CD2-CG2 4.28Å; F33-V42 HydrophobicContact CE1-CB 3.63Å; F33-V42 HydrophobicContact CE1-CG1 3.73Å; F33-V42 HydrophobicContact CE1-CG2 3.81Å; F33-V42 HydrophobicContact CE2-CG2 4.08Å; F33-V42 HydrophobicContact CG-CB 4.3Å; F33-V42 HydrophobicContact CG-CG2 4.26Å; F33-V42 HydrophobicContact CZ-CB 4.19Å; F33-V42 HydrophobicContact CZ-CG1 4.33Å; F33-V42 HydrophobicContact CZ-CG2 3.85Å
43D87.9Confident84.8Confident49 Ų4953.6 Ų53.626%0.26228%0.277SS..EExtended strand (participates in β ladder)trans-93.8130.4173.5-62.6-60000108.7K3 S30K3-D43 VanDerWaalsContact CB-OD1 3.29Å; K3-D43 WeakPolarHBondContact CB-OD1 3.34Å; K3-D43 WeakPolarHBondContact CD-OD1 3.36Å; K3-D43 WeakPolarHBondContact CG-OD1 3.35Å; K3-D43 IonicContact NZ-OD1 3.74Å; K3-D43 PolarHBondContact NZ-OD1 3.32Å; K3-D43 IonicContact NZ-OD2 3.83Å; K3-D43 PolarHBondContact NZ-OD2 3.27Å; S30-D43 PolarHBondContact N-O 3.16Å
44C85.1Confident84.7Confident0 Ų055.1 Ų55.10%029%0.285CS..  trans-95.8158.7171-71.30000110.5N2 L4 D46 W49 A50N2-C44 WeakPolarHBondContact CB-O 3.46Å; N2-C44 PolarHBondContact ND2-O 3.31Å; N2-C44 WeakPolarHBondContact O-CB 3.43Å; N2-C44 PolarHBondContact O-N 3.46Å; L4-C44 WeakPolarHBondContact CD1-SG 3.38Å; C44-D46 VanDerWaalsContact C-N 3.34Å; C44-D46 PolarHBondContact O-N 2.85Å; C44-W49 HydrophobicContact CB-CB 4.29Å; C44-A50 HydrophobicContact CB-CB 4.2Å
45P83.6Confident84.7Confident43 Ų4357.3 Ų57.328%0.27929%0.293SS..SBendtrans-57.9-47.9178.9-21.328.6000112P28 S30P28-P45 HydrophobicContact CB-CG 3.98Å; P28-P45 HydrophobicContact CG-CG 3.96Å; P28-P45 WeakPolarHBondContact O-CD 3.29Å; S30-P45 WeakPolarHBondContact OG-CA 3.47Å; S30-P45 WeakPolarHBondContact OG-CD 3.48Å; S30-P45 VanDerWaalsContact OG-CG 3.28Å; S30-P45 WeakPolarHBondContact OG-CG 3.2Å; S30-P45 VanDerWaalsContact OG-N 3.07Å
46D83Confident84.6Confident82 Ų8257.5 Ų57.544%0.43930%0.299SS..SBendtrans-142164.7-174.8-12.8-56.9000110.5C44 S48 W49 A50C44-D46 VanDerWaalsContact C-N 3.34Å; C44-D46 PolarHBondContact O-N 2.85Å; D46-S48 PolarHBondContact O-N 3.17Å; D46-W49 PolarHBondContact O-N 3.43Å; D46-A50 PolarHBondContact O-N 3.31Å; D46-A50 VanDerWaalsContact O-N 3.15Å
47E78.1Confident84.9Confident106 Ų10652 Ų5250%0.49528%0.275SS..Hα-helixtrans-62.9-29.6178.6-178.4157.9-13600113.3M1 A50 L51M1-E47 PolarHBondContact N-OE1 3.43Å; M1-E47 PolarHBondContact N-OE2 3.25Å; E47-A50 PolarHBondContact O-N 2.72Å; E47-L51 WeakPolarHBondContact O-CG 3.5Å; E47-L51 PolarHBondContact O-N 3.09Å
48S81.7Confident85.4Confident64 Ų6448.6 Ų48.645%0.44826%0.256SS..Hα-helixtrans-63.6-40.1174.556.60000112.4D46 K52D46-S48 PolarHBondContact O-N 3.17Å; S48-K52 WeakPolarHBondContact O-CG 3.36Å; S48-K52 PolarHBondContact O-N 3.25Å; S48-K52 VanDerWaalsContact O-N 3.1Å
49W87.2Confident85.5Confident75 Ų7550 Ų5028%0.28427%0.271SS..Hα-helixtrans-73.2-35.2176.2-76.5114.3000112.2P28 C44 D46 K52 A53P28-W49 VanDerWaalsContact CD-CE3 3.46Å; P28-W49 HydrophobicContact CG-CD2 3.66Å; P28-W49 HydrophobicContact CG-CE3 4.07Å; P28-W49 HydrophobicContact CG-CG 3.97Å; P28-W49 HydrophobicContact CG-CH2 4.41Å; P28-W49 HydrophobicContact CG-CZ2 4.08Å; P28-W49 HydrophobicContact CG-CZ3 4.41Å; C44-W49 HydrophobicContact CB-CB 4.29Å; D46-W49 PolarHBondContact O-N 3.43Å; W49-K52 HydrophobicContact CE3-CB 4.43Å; W49-K52 HydrophobicContact CE3-CD 3.82Å; W49-K52 HydrophobicContact CZ3-CD 3.91Å; W49-K52 PolarHBondContact O-N 3.25Å; W49-A53 WeakPolarHBondContact O-CB 3.47Å; W49-A53 PolarHBondContact O-N 3.07Å
50A83.1Confident85.2Confident0 Ų053.7 Ų53.70%029%0.288CS..Hα-helixtrans-60.9-44.6172.700000111.6L4 C44 D46 E47 A53 I54L4-A50 HydrophobicContact CD2-CB 3.82Å; L4-A50 HydrophobicContact CG-CB 4.22Å; C44-A50 HydrophobicContact CB-CB 4.2Å; D46-A50 PolarHBondContact O-N 3.31Å; D46-A50 VanDerWaalsContact O-N 3.15Å; E47-A50 PolarHBondContact O-N 2.72Å; A50-A53 WeakPolarHBondContact O-CB 3.39Å; A50-A53 PolarHBondContact O-N 2.96Å; A50-I54 WeakPolarHBondContact O-CG1 3.38Å; A50-I54 PolarHBondContact O-N 3.35Å
51L82.2Confident84.9Confident96 Ų9656.1 Ų56.150%0.50330%0.301SS..Hα-helixtrans-63.6-44175.7-74169.3000112.5E47 A53 I54 E55 H72E47-L51 WeakPolarHBondContact O-CG 3.5Å; E47-L51 PolarHBondContact O-N 3.09Å; L51-A53 VanDerWaalsContact C-N 3.26Å; L51-A53 PolarHBondContact O-N 3.1Å; L51-I54 PolarHBondContact O-N 3.15Å; L51-E55 WeakPolarHBondContact O-CB 3.46Å; L51-E55 PolarHBondContact O-N 3.43Å; L51-H72 WeakPolarHBondContact CD2-NE2 3.35Å
52K87.1Confident84.7Confident109 Ų10960.2 Ų60.247%0.47432%0.32SS..Hα-helixtrans-60.5-36.8174.7-76.4179.3179.71800112.3S48 W49 E55 A56S48-K52 WeakPolarHBondContact O-CG 3.36Å; S48-K52 PolarHBondContact O-N 3.25Å; S48-K52 VanDerWaalsContact O-N 3.1Å; W49-K52 HydrophobicContact CE3-CB 4.43Å; W49-K52 HydrophobicContact CE3-CD 3.82Å; W49-K52 HydrophobicContact CZ3-CD 3.91Å; W49-K52 PolarHBondContact O-N 3.25Å; K52-E55 PolarHBondContact O-N 3.48Å; K52-A56 WeakPolarHBondContact O-CB 3.2Å; K52-A56 PolarHBondContact O-N 2.84Å
53A85.4Confident84.3Confident0 Ų061 Ų610%033%0.325CS..Hα-helixtrans-67.8-43.5177.900000112.5L4 F22 I27 W49 A50 L51 E55 A56 L57L4-A53 HydrophobicContact CD1-CB 3.51Å; F22-A53 HydrophobicContact CE1-CB 4.05Å; I27-A53 HydrophobicContact CD1-CB 3.8Å; I27-A53 HydrophobicContact CG1-CB 4.44Å; I27-A53 HydrophobicContact CG2-CB 3.89Å; W49-A53 WeakPolarHBondContact O-CB 3.47Å; W49-A53 PolarHBondContact O-N 3.07Å; A50-A53 WeakPolarHBondContact O-CB 3.39Å; A50-A53 PolarHBondContact O-N 2.96Å; L51-A53 VanDerWaalsContact C-N 3.26Å; L51-A53 PolarHBondContact O-N 3.1Å; A53-E55 VanDerWaalsContact C-N 3.34Å; A53-A56 PolarHBondContact O-N 3.03Å; A53-L57 HydrophobicContact CB-CD1 4.31Å; A53-L57 WeakPolarHBondContact O-CB 3.42Å; A53-L57 VanDerWaalsContact O-CG 3.26Å; A53-L57 WeakPolarHBondContact O-CG 2.95Å; A53-L57 PolarHBondContact O-N 3.27Å
54I86.3Confident84.1Confident39 Ų3964 Ų6420%0.234%0.336CS..Hα-helixtrans-59.2-49.3174.1-67.3164.9000109.7L4 A50 L51 A56 S58 V70 H72L4-I54 HydrophobicContact CD2-CD1 3.76Å; L4-I54 HydrophobicContact CD2-CG1 3.71Å; A50-I54 WeakPolarHBondContact O-CG1 3.38Å; A50-I54 PolarHBondContact O-N 3.35Å; L51-I54 PolarHBondContact O-N 3.15Å; I54-A56 PolarHBondContact O-N 2.77Å; I54-S58 WeakPolarHBondContact O-CB 3.49Å; I54-S58 PolarHBondContact O-N 3.31Å; I54-S58 VanDerWaalsContact O-N 3.08Å; I54-V70 HydrophobicContact CG1-CG1 4.09Å; I54-V70 WeakPolarHBondContact CG2-O 3.3Å; I54-H72 HydrophobicContact CD1-CB 4.45Å; I54-H72 WeakPolarHBondContact CD1-CD2 3.13Å
55E84.9Confident83.8Confident138 Ų13867 Ų6765%0.64537%0.367SS*.Hα-helixtrans-65.3-37.8-178.4-172.4179-172.300112.9L51 K52 A53 K60L51-E55 WeakPolarHBondContact O-CB 3.46Å; L51-E55 PolarHBondContact O-N 3.43Å; K52-E55 PolarHBondContact O-N 3.48Å; A53-E55 VanDerWaalsContact C-N 3.34Å; E55-K60 WeakPolarHBondContact O-CD 3.49Å; E55-K60 VanDerWaalsContact O-CE 3.31Å; E55-K60 WeakPolarHBondContact O-CE 3.42Å; E55-K60 PolarHBondContact O-NZ 2.98Å
56A85.9Confident83.6Confident46 Ų4669.2 Ų69.238%0.3837%0.373SS..Hα-helixtrans-82.4-33.8-176.100000113.5I27 K52 A53 I54I27-A56 HydrophobicContact CD1-CB 4.26Å; K52-A56 WeakPolarHBondContact O-CB 3.2Å; K52-A56 PolarHBondContact O-N 2.84Å; A53-A56 PolarHBondContact O-N 3.03Å; I54-A56 PolarHBondContact O-N 2.77Å
57L88.3Confident83.7Confident0 Ų067.7 Ų67.70%037%0.368CS..Hα-helixtrans-108.8-35.4-166.8-53.2176.9000113.3I21 F22 A25 I27 A53 G59 K60 I61 I68 V70I21-L57 HydrophobicContact CG2-CD2 3.96Å; F22-L57 HydrophobicContact CD1-CD1 3.87Å; F22-L57 HydrophobicContact CD2-CD1 3.68Å; F22-L57 HydrophobicContact CE1-CD1 3.56Å; F22-L57 HydrophobicContact CE2-CD1 3.37Å; F22-L57 HydrophobicContact CG-CD1 3.93Å; F22-L57 HydrophobicContact CZ-CD1 3.3Å; A25-L57 HydrophobicContact CB-CD2 3.53Å; I27-L57 HydrophobicContact CD1-CD1 3.65Å; I27-L57 HydrophobicContact CD1-CD2 4.1Å; I27-L57 HydrophobicContact CD1-CG 3.79Å; A53-L57 HydrophobicContact CB-CD1 4.31Å; A53-L57 WeakPolarHBondContact O-CB 3.42Å; A53-L57 VanDerWaalsContact O-CG 3.26Å; A53-L57 WeakPolarHBondContact O-CG 2.95Å; A53-L57 PolarHBondContact O-N 3.27Å; L57-G59 PolarHBondContact O-N 2.92Å; L57-K60 PolarHBondContact O-N 3Å; L57-I61 HydrophobicContact CD2-CD1 3.38Å; L57-I61 HydrophobicContact CD2-CG1 4.45Å; L57-I61 PolarHBondContact O-N 2.9Å; L57-I68 HydrophobicContact CB-CD1 4.47Å; L57-V70 HydrophobicContact CB-CB 4.43Å; L57-V70 HydrophobicContact CB-CG2 3.72Å; L57-V70 HydrophobicContact CD1-CG2 4.45Å
58S88.8Confident84.2Confident39 Ų3962.7 Ų62.727%0.27334%0.344SS..THydrogen-bonded Turntrans-65.8118.2-172.1-161.90000111.6I54 K60 V70I54-S58 WeakPolarHBondContact O-CB 3.49Å; I54-S58 PolarHBondContact O-N 3.31Å; I54-S58 VanDerWaalsContact O-N 3.08Å; S58-K60 PolarHBondContact O-N 2.83Å; S58-K60 VanDerWaalsContact O-N 3.1Å; S58-V70 VanDerWaalsContact CB-O 3.28Å; S58-V70 WeakPolarHBondContact CB-O 3.3Å; S58-V70 PolarHBondContact OG-N 3.36Å; S58-V70 PolarHBondContact OG-O 3.01Å; S58-V70 VanDerWaalsContact OG-O 3.05Å
59G80Confident84.4Confident53 Ų5364.3 Ų64.355%0.54634%0.344SS..THydrogen-bonded Turntrans67.73.1-179.200000115.2L57 I68L57-G59 PolarHBondContact O-N 2.92Å; G59-I68 PolarHBondContact N-O 3.22Å
60K81.8Confident84.5Confident142 Ų14260.7 Ų60.762%0.61733%0.331SS*.THydrogen-bonded Turntrans-107.5-18.8-176.1-69.7179.5-179175.90113.5E55 L57 S58E55-K60 WeakPolarHBondContact O-CD 3.49Å; E55-K60 VanDerWaalsContact O-CE 3.31Å; E55-K60 WeakPolarHBondContact O-CE 3.42Å; E55-K60 PolarHBondContact O-NZ 2.98Å; L57-K60 PolarHBondContact O-N 3Å; S58-K60 PolarHBondContact O-N 2.83Å; S58-K60 VanDerWaalsContact O-N 3.1Å
61I83.3Confident84.4Confident51 Ų5165.9 Ų65.926%0.26236%0.355SS..  trans-122.2140.3-179.8-61.9-174.3000108.8I21 L57 P67 I68I21-I61 HydrophobicContact CD1-CG2 4.13Å; I21-I61 HydrophobicContact CG1-CG2 4.33Å; I21-I61 HydrophobicContact CG2-CD1 3.82Å; I21-I61 HydrophobicContact CG2-CG2 4.1Å; L57-I61 HydrophobicContact CD2-CD1 3.38Å; L57-I61 HydrophobicContact CD2-CG1 4.45Å; L57-I61 PolarHBondContact O-N 2.9Å; I61-P67 WeakPolarHBondContact O-CA 3.4Å; I61-I68 HydrophobicContact CB-CD1 4.2Å; I61-I68 HydrophobicContact CB-CG1 4.3Å; I61-I68 HydrophobicContact CG2-CD1 4.29Å; I61-I68 WeakPolarHBondContact O-CG1 3.4Å; I61-I68 PolarHBondContact O-N 3.38Å
62E85.1Confident84.3Confident133 Ų13363.9 Ų63.962%0.62134%0.343SS*.EExtended strand (participates in β ladder)trans-107.5135174.2-61-174.6167.100110.1K66 P67E62-K66 CarbonylContact C-O 3.57Å; E62-K66 VanDerWaalsContact CA-O 3.24Å; E62-K66 WeakPolarHBondContact CA-O 3.33Å; E62-P67 HydrophobicContact CG-CB 4.27Å
63L82.3Confident83.6Confident17 Ų1759.2 Ų59.29%0.08932%0.324CS..EExtended strand (participates in β ladder)trans-117.3123.3171-176.471000108.3L9 A13 D17 L18 I21 G65 K66 I68L9-L63 HydrophobicContact CD2-CD2 4.01Å; A13-L63 HydrophobicContact CB-CD2 3.81Å; D17-L63 HydrophobicContact CB-CD1 3.7Å; D17-L63 HydrophobicContact CB-CD2 4.22Å; L18-L63 HydrophobicContact CD2-CD2 3.98Å; I21-L63 HydrophobicContact CD1-CB 4.15Å; I21-L63 HydrophobicContact CD1-CD1 3.73Å; I21-L63 HydrophobicContact CD1-CG 4.33Å; L63-G65 PolarHBondContact O-N 2.9Å; L63-K66 PolarHBondContact N-O 3.19Å; L63-K66 PolarHBondContact O-N 2.86Å; L63-K66 VanDerWaalsContact O-N 3.12Å; L63-I68 HydrophobicContact CB-CG2 3.56Å
64H83.5Confident82.3Confident110 Ų11063.7 Ų63.751%0.50935%0.351SS..THydrogen-bonded Turntrans53.238.5-176.8-60-64.9000113.1D17 K66D17-H64 IonicContact OD2-CE1 2.77Å; D17-H64 IonicContact OD2-NE2 3.64Å; D17-H64 PolarHBondContact OD2-NE2 3.18Å; H64-K66 VanDerWaalsContact C-N 3.32Å; H64-K66 PolarHBondContact O-N 2.62Å
65G77.6Confident80.3Confident63 Ų6364.9 Ų64.965%0.64936%0.361SS*.THydrogen-bonded Turntrans75.313.217900000115.2L63L63-G65 PolarHBondContact O-N 2.9Å
66K80.7Confident78.4Confident90 Ų9068.6 Ų68.639%0.39138%0.376SS..EExtended strand (participates in β ladder)trans-119.7132172.7-67.6-173.4178.8-176.60110.6E62 L63 H64 I68E62-K66 CarbonylContact C-O 3.57Å; E62-K66 VanDerWaalsContact CA-O 3.24Å; E62-K66 WeakPolarHBondContact CA-O 3.33Å; L63-K66 PolarHBondContact N-O 3.19Å; L63-K66 PolarHBondContact O-N 2.86Å; L63-K66 VanDerWaalsContact O-N 3.12Å; H64-K66 VanDerWaalsContact C-N 3.32Å; H64-K66 PolarHBondContact O-N 2.62Å; K66-I68 PolarHBondContact O-N 3.3Å
67P84.2Confident76.4Confident51 Ų5175.2 Ų75.233%0.33139%0.391SS..EExtended strand (participates in β ladder)trans-66.1125.5175.427.1-33.2000109.7N8 I61 E62N8-P67 WeakPolarHBondContact CB-O 3.45Å; N8-P67 PolarHBondContact ND2-O 2.97Å; I61-P67 WeakPolarHBondContact O-CA 3.4Å; E62-P67 HydrophobicContact CG-CB 4.27Å
68I88.9Confident74.4Confident0 Ų081.5 Ų81.50%042%0.42CS..  trans-77.7140.2178.169.7179000109.6I6 L9 I21 L57 G59 I61 L63 K66 V70I6-I68 HydrophobicContact CG2-CB 4.38Å; L9-I68 HydrophobicContact CD2-CB 4.37Å; L9-I68 HydrophobicContact CD2-CG2 3.73Å; I21-I68 HydrophobicContact CD1-CD1 4.42Å; I21-I68 HydrophobicContact CG2-CD1 4.12Å; L57-I68 HydrophobicContact CB-CD1 4.47Å; G59-I68 PolarHBondContact N-O 3.22Å; I61-I68 HydrophobicContact CB-CD1 4.2Å; I61-I68 HydrophobicContact CB-CG1 4.3Å; I61-I68 HydrophobicContact CG2-CD1 4.29Å; I61-I68 WeakPolarHBondContact O-CG1 3.4Å; I61-I68 PolarHBondContact O-N 3.38Å; L63-I68 HydrophobicContact CB-CG2 3.56Å; K66-I68 PolarHBondContact O-N 3.3Å; I68-V70 HydrophobicContact CD1-CG2 4.34Å; I68-V70 HydrophobicContact CG1-CG2 4.37Å
69E85.7Confident72.5Confident98 Ų9890 Ų9046%0.45845%0.446SS..EExtended strand (participates in β ladder)trans-109.1116.4177.4-69-178.2166.200108.8I6 G7 N8I6-E69 CarbonylContact C-O 3.47Å; I6-E69 VanDerWaalsContact CA-O 3.25Å; I6-E69 WeakPolarHBondContact CA-O 3.49Å; G7-E69 PolarHBondContact N-O 3.47Å; G7-E69 PolarHBondContact O-N 2.97Å; N8-E69 HydrophobicContact CB-CG 4.41Å
70V88.9Confident71.4Confident0 Ų089.3 Ų89.30%043%0.429CS..EExtended strand (participates in β ladder)trans-108.3122.5-179.8-173.30000108.6L4 Y5 I6 I54 L57 S58 I68L4-V70 HydrophobicContact CB-CG1 4.33Å; L4-V70 HydrophobicContact CD1-CG1 3.98Å; L4-V70 HydrophobicContact CD2-CG1 4.27Å; L4-V70 HydrophobicContact CG-CG1 4.44Å; Y5-V70 WeakPolarHBondContact O-CA 3.3Å; I6-V70 HydrophobicContact CG1-CG1 4.44Å; I6-V70 HydrophobicContact CG1-CG2 4.3Å; I6-V70 HydrophobicContact CG2-CG2 4.32Å; I54-V70 HydrophobicContact CG1-CG1 4.09Å; I54-V70 WeakPolarHBondContact CG2-O 3.3Å; L57-V70 HydrophobicContact CB-CB 4.43Å; L57-V70 HydrophobicContact CB-CG2 3.72Å; L57-V70 HydrophobicContact CD1-CG2 4.45Å; S58-V70 VanDerWaalsContact CB-O 3.28Å; S58-V70 WeakPolarHBondContact CB-O 3.3Å; S58-V70 PolarHBondContact OG-N 3.36Å; S58-V70 PolarHBondContact OG-O 3.01Å; S58-V70 VanDerWaalsContact OG-O 3.05Å; I68-V70 HydrophobicContact CD1-CG2 4.34Å; I68-V70 HydrophobicContact CG1-CG2 4.37Å
71E82.2Confident71Confident108 Ų10886.3 Ų86.351%0.50541%0.414SS..EExtended strand (participates in β ladder)trans-133.6165.7179.9-63-168.2156.900110.8L4 Y5 S73L4-E71 CarbonylContact C-O 3.59Å; L4-E71 VanDerWaalsContact CA-O 3.29Å; L4-E71 WeakPolarHBondContact CA-O 3.49Å; L4-E71 WeakPolarHBondContact CD2-O 3.35Å; Y5-E71 PolarHBondContact N-O 3.49Å; Y5-E71 PolarHBondContact O-N 3.44Å; E71-S73 PolarHBondContact O-N 3.35Å
72H80.5Confident70.8Confident55 Ų5587.4 Ų87.426%0.25542%0.417SS..EExtended strand (participates in β ladder)trans-62.1130.7167.5-81.3-69.4000109.7M1 L51 I54 V74M1-H72 PolarHBondContact O-CE1 2.82Å; M1-H72 PolarHBondContact O-ND1 3.28Å; L51-H72 WeakPolarHBondContact CD2-NE2 3.35Å; I54-H72 HydrophobicContact CD1-CB 4.45Å; I54-H72 WeakPolarHBondContact CD1-CD2 3.13Å; H72-V74 PolarHBondContact O-N 2.82Å
73S71.6Confident70.8Confident11 Ų1181 Ų818%0.07739%0.387CS..  trans-62.7115.8170.4-1750000108.2K3 E71 P75K3-S73 VanDerWaalsContact C-CB 3.48Å; K3-S73 VanDerWaalsContact O-CB 3.24Å; K3-S73 WeakPolarHBondContact O-CB 3.48Å; K3-S73 PolarHBondContact O-N 3Å; E71-S73 PolarHBondContact O-N 3.35Å; S73-P75 WeakPolarHBondContact O-CD 3.41Å
74V58.1Low71Confident94 Ų9482.3 Ų82.357%0.5739%0.393SS*.  trans-64123.5168.8-166.90000106.2H72 K76 R77H72-V74 PolarHBondContact O-N 2.82Å; V74-K76 PolarHBondContact O-N 2.76Å; V74-R77 HydrophobicContact CG1-CG 4.26Å
75P45Very low71.3Confident63 Ų6377.1 Ų77.141%0.40937%0.369SS..  trans-50.3148169-21.631.4000107.5M1 S73 R77M1-P75 HydrophobicContact CE-CG 4.49Å; M1-P75 WeakPolarHBondContact SD-CD 3.48Å; M1-P75 HydrophobicContact SD-CG 3.19Å; M1-P75 WeakPolarHBondContact SD-CG 3.15Å; S73-P75 WeakPolarHBondContact O-CD 3.41Å; P75-R77 PolarHBondContact O-N 2.98Å
76K43.5Very low71.8Confident217 Ų21780.2 Ų80.294%0.94336%0.361SS*.  trans-58.788.7165.9-82.2-176.6175.3179.30108.1V74V74-K76 PolarHBondContact O-N 2.76Å
77R45.6Very low72Confident184 Ų18478.1 Ų78.169%0.69435%0.354SS*.  trans-64.7152.3179.9-83.3-179.4167.9176.6-3.2108.7V74 P75 R79V74-R77 HydrophobicContact CG1-CG 4.26Å; P75-R77 PolarHBondContact O-N 2.98Å; R77-R79 VanDerWaalsContact C-N 3.28Å; R77-R79 PolarHBondContact O-N 2.89Å
78Q45.8Very low72.1Confident132 Ų13275.9 Ų75.962%0.61734%0.339SS*.  trans-52.573.4-174.5-78.7122.7-49.400114.6I80 R81Q78-I80 VanDerWaalsContact C-N 3.29Å; Q78-I80 PolarHBondContact O-N 3.19Å; Q78-R81 VanDerWaalsContact NE2-NH2 3.11Å
79R48Very low71.7Confident217 Ų21776 Ų7682%0.81934%0.34SS*.THydrogen-bonded Turntrans-77.861.9174.9-65.2-168.1-168.9-161.50.1112.6R77R77-R79 VanDerWaalsContact C-N 3.28Å; R77-R79 PolarHBondContact O-N 2.89Å
80I58.1Low71.1Confident39 Ų3975.4 Ų75.420%0.235%0.345CS..THydrogen-bonded Turntrans-173.89.8-176.627.5-126000115.5Q78 K129 A132 Y153Q78-I80 VanDerWaalsContact C-N 3.29Å; Q78-I80 PolarHBondContact O-N 3.19Å; I80-K129 HydrophobicContact CB-CB 4.39Å; I80-K129 HydrophobicContact CB-CD 4.33Å; I80-K129 HydrophobicContact CB-CG 3.9Å; I80-K129 HydrophobicContact CD1-CD 3.41Å; I80-K129 VanDerWaalsContact CD1-CD 3.41Å; I80-K129 HydrophobicContact CD1-CG 4Å; I80-K129 HydrophobicContact CG1-CB 3.91Å; I80-K129 HydrophobicContact CG1-CD 3.46Å; I80-K129 VanDerWaalsContact CG1-CD 3.46Å; I80-K129 HydrophobicContact CG1-CG 3.5Å; I80-K129 VanDerWaalsContact CG1-CG 3.5Å; I80-A132 WeakPolarHBondContact O-CB 3.31Å; I80-Y153 HydrophobicContact CB-CE1 4.01Å; I80-Y153 HydrophobicContact CG2-CD1 4.24Å; I80-Y153 HydrophobicContact CG2-CE1 3.62Å; I80-Y153 HydrophobicContact CG2-CE2 3.98Å; I80-Y153 VanDerWaalsContact CG2-CZ 3.47Å; I80-Y153 VanDerWaalsContact O-CE1 3.26Å; I80-Y153 WeakPolarHBondContact O-CE1 3.23Å
81R73.1Confident70.3Confident79 Ų7980.3 Ų80.330%0.29837%0.367SS..SBendtrans-95.8-24.1179.1-68.4-176.4-172.5-174.6-2.5113.6Q78 T125 Y126 S127Q78-R81 VanDerWaalsContact NE2-NH2 3.11Å; R81-T125 HydrophobicContact CB-CG2 4.18Å; R81-T125 CarbonylContact O-C 3.55Å; R81-T125 WeakPolarHBondContact O-CA 3.46Å; R81-Y126 WeakPolarHBondContact CB-O 3.12Å; R81-Y126 WeakPolarHBondContact CD-O 3.31Å; R81-Y126 PolarHBondContact O-N 2.89Å; R81-S127 PolarHBondContact NH1-O 2.92Å
82K78.9Confident70Confident74 Ų7476.6 Ų76.632%0.32235%0.351SS..EExtended strand (participates in β ladder)trans-102.3120.2-175.1-159.8169.6-173.9167.30111.7E111 V124 T125 I154K82-E111 IonicContact NZ-OE2 3.04Å; K82-E111 PolarHBondContact NZ-OE2 3.15Å; K82-V124 CarbonylContact C-O 3.59Å; K82-V124 VanDerWaalsContact CA-O 3.3Å; K82-V124 WeakPolarHBondContact CA-O 3.41Å; K82-T125 WeakPolarHBondContact CG-OG1 3.45Å; K82-I154 HydrophobicContact CD-CD1 4.04Å; K82-I154 HydrophobicContact CG-CD1 3.82Å; K82-I154 HydrophobicContact CG-CG1 4.38Å; K82-I154 PolarHBondContact O-N 3.25Å
83L85Confident69.6Low0 Ų079.9 Ų79.90%037%0.366CS..EExtended strand (participates in β ladder)trans-110.3150.5176.3-58.1179.1000109.7N123 V124 Y126 A132 A135 L136 V151 A152 Y153L83-N123 CarbonylContact O-C 3.54Å; L83-N123 VanDerWaalsContact O-CA 3.31Å; L83-N123 WeakPolarHBondContact O-CA 2.96Å; L83-V124 PolarHBondContact N-O 2.92Å; L83-V124 PolarHBondContact O-N 3.48Å; L83-Y126 HydrophobicContact CD1-CD2 4.18Å; L83-Y126 HydrophobicContact CD1-CE2 3.78Å; L83-A132 HydrophobicContact CD1-CB 4.43Å; L83-A132 VanDerWaalsContact CD1-O 3.29Å; L83-A132 WeakPolarHBondContact CD1-O 3.48Å; L83-A132 HydrophobicContact CG-CB 4.35Å; L83-A135 HydrophobicContact CD1-CB 3.81Å; L83-L136 HydrophobicContact CD1-CB 4.31Å; L83-L136 HydrophobicContact CD2-CB 4.13Å; L83-L136 HydrophobicContact CD2-CD1 4.35Å; L83-V151 HydrophobicContact CB-CG1 4.02Å; L83-V151 HydrophobicContact CD1-CG1 4.02Å; L83-V151 HydrophobicContact CG-CG1 4.42Å; L83-A152 CarbonylContact C-O 3.55Å; L83-A152 WeakPolarHBondContact CA-O 3.11Å; L83-Y153 HydrophobicContact CD2-CD1 3.41Å; L83-Y153 VanDerWaalsContact CD2-CD1 3.41Å; L83-Y153 HydrophobicContact CD2-CE1 3.29Å; L83-Y153 HydrophobicContact CD2-CG 4.07Å; L83-Y153 HydrophobicContact CG-CE1 4.47Å
84Q87.1Confident69.6Low44 Ų4484.1 Ų84.121%0.20638%0.381CS..EExtended strand (participates in β ladder)trans-115.1131.4165.4173.3174.192.600108.8R86 V121 V122 N123 V151 A152 I154Q84-R86 HydrophobicContact CG-CG 3.9Å; Q84-V121 HydrophobicContact CG-CG1 3.63Å; Q84-V122 CarbonylContact C-O 3.48Å; Q84-V122 WeakPolarHBondContact CA-O 3.36Å; Q84-N123 WeakPolarHBondContact CB-OD1 3.34Å; Q84-N123 WeakPolarHBondContact CG-OD1 3.43Å; Q84-N123 PolarHBondContact NE2-OD1 2.87Å; Q84-V151 CarbonylContact O-C 3.55Å; Q84-V151 VanDerWaalsContact O-CA 3.31Å; Q84-V151 WeakPolarHBondContact O-CA 3.45Å; Q84-A152 PolarHBondContact N-O 2.92Å; Q84-A152 PolarHBondContact O-N 3.1Å; Q84-I154 HydrophobicContact CB-CD1 3.77Å; Q84-I154 HydrophobicContact CB-CG1 3.46Å; Q84-I154 VanDerWaalsContact CB-CG1 3.46Å
85I90Very high70.2Confident1 Ų183.6 Ų83.61%0.00537%0.372CS..EExtended strand (participates in β ladder)trans-112.8120.5179.2-54.2179.3000106.6I88 L101 V121 V122 V124 L139 L149 K150 V151I85-I88 HydrophobicContact CB-CD1 4.1Å; I85-I88 HydrophobicContact CG2-CD1 3.75Å; I85-I88 HydrophobicContact CG2-CG1 3.83Å; I85-L101 HydrophobicContact CD1-CD2 3.33Å; I85-V121 CarbonylContact O-C 3.41Å; I85-V121 WeakPolarHBondContact O-CA 3.36Å; I85-V122 PolarHBondContact N-O 2.82Å; I85-V122 PolarHBondContact O-N 3.16Å; I85-V124 HydrophobicContact CD1-CG2 3.79Å; I85-V124 HydrophobicContact CG1-CG2 4.35Å; I85-L139 HydrophobicContact CD1-CD1 4.22Å; I85-L149 HydrophobicContact CG2-CB 4.43Å; I85-L149 HydrophobicContact CG2-CD1 4.5Å; I85-L149 HydrophobicContact CG2-CD2 4.29Å; I85-K150 CarbonylContact C-O 3.3Å; I85-K150 WeakPolarHBondContact CA-O 3.41Å; I85-V151 HydrophobicContact CB-CG2 4.31Å; I85-V151 HydrophobicContact CD1-CG2 4.45Å; I85-V151 HydrophobicContact CG1-CB 4.43Å; I85-V151 HydrophobicContact CG1-CG1 3.93Å; I85-V151 HydrophobicContact CG1-CG2 3.84Å; I85-V151 HydrophobicContact CG2-CG2 4.05Å
86R87.3Confident71.7Confident127 Ų12784 Ų8448%0.47937%0.373SS..EExtended strand (participates in β ladder)trans-115.8166.2179.7-52.4-176.779.6159.80.4109.7Q84 V121 K150Q84-R86 HydrophobicContact CG-CG 3.9Å; R86-V121 HydrophobicContact CB-CG2 4.24Å; R86-V121 HydrophobicContact CG-CG1 3.97Å; R86-V121 HydrophobicContact CG-CG2 4.07Å; R86-K150 HydrophobicContact CB-CB 4.45Å; R86-K150 PolarHBondContact N-O 3.45Å; R86-K150 PolarHBondContact O-N 3.01Å
87N85.4Confident73.4Confident47 Ų4773.9 Ų73.925%0.25133%0.329SS..EExtended strand (participates in β ladder)trans67.736.1179.2-155.945.7000112.8T119 F147 T148N87-T119 WeakPolarHBondContact OD1-CG2 3.45Å; N87-F147 WeakPolarHBondContact O-CB 3.44Å; N87-T148 WeakPolarHBondContact CB-O 3.28Å; N87-T148 PolarHBondContact ND2-N 2.87Å; N87-T148 PolarHBondContact ND2-O 3.06Å
88I85.1Confident74.8Confident4 Ų467.2 Ų67.22%0.02131%0.307CS..EExtended strand (participates in β ladder)trans-83133.7175.4-60.7162.8000108.2I85 L92 L97 T119 A120 V122 L149I85-I88 HydrophobicContact CB-CD1 4.1Å; I85-I88 HydrophobicContact CG2-CD1 3.75Å; I85-I88 HydrophobicContact CG2-CG1 3.83Å; I88-L92 HydrophobicContact CG2-CB 4.23Å; I88-L92 HydrophobicContact CG2-CD2 3.6Å; I88-L97 HydrophobicContact CD1-CD1 4.28Å; I88-L97 HydrophobicContact CD1-CD2 3.88Å; I88-T119 CarbonylContact O-C 3.5Å; I88-T119 WeakPolarHBondContact O-CA 3.31Å; I88-T119 WeakPolarHBondContact O-CB 3.39Å; I88-A120 HydrophobicContact CB-CB 4.01Å; I88-A120 WeakPolarHBondContact CB-O 3.43Å; I88-A120 HydrophobicContact CG2-CB 4.29Å; I88-A120 PolarHBondContact N-O 2.89Å; I88-A120 VanDerWaalsContact N-O 3.15Å; I88-A120 PolarHBondContact O-N 2.87Å; I88-V122 HydrophobicContact CD1-CB 3.79Å; I88-V122 HydrophobicContact CD1-CG2 3.54Å; I88-L149 HydrophobicContact CB-CD2 4.45Å; I88-L149 HydrophobicContact CG1-CD2 3.8Å
89P80.4Confident76.3Confident1 Ų163.1 Ų63.11%0.00629%0.294CS..  trans-57.4132.1177.6-1320.1000111H91 L92 L144 F147P89-H91 VanDerWaalsContact CB-CE1 3.48Å; P89-H91 WeakPolarHBondContact CB-CE1 3.42Å; P89-H91 PolarHBondContact O-N 3.04Å; P89-L92 HydrophobicContact CB-CB 4.08Å; P89-L92 HydrophobicContact CG-CB 4.22Å; P89-L92 WeakPolarHBondContact O-CB 3.44Å; P89-L92 PolarHBondContact O-N 2.68Å; P89-L144 HydrophobicContact CG-CD2 4.3Å; P89-F147 HydrophobicContact CB-CD2 3.78Å; P89-F147 HydrophobicContact CB-CE2 3.92Å; P89-F147 HydrophobicContact CB-CG 4.33Å; P89-F147 HydrophobicContact CG-CB 4.06Å; P89-F147 HydrophobicContact CG-CD2 3.61Å; P89-F147 HydrophobicContact CG-CE2 4.27Å; P89-F147 HydrophobicContact CG-CG 3.95Å
90P73.8Confident78Confident86 Ų8653.6 Ų53.656%0.55826%0.259SS*.THydrogen-bonded Turntrans-67.1-23.8-174.727-35.4000113.3E118P90-E118 WeakPolarHBondContact CG-O 3.27Å
91H71.6Confident79.3Confident103 Ų10351.8 Ų51.848%0.47725%0.249SC..THydrogen-bonded Turntrans-88.1-2.9174.859.2-78.2000113.6P89 Q93 E145P89-H91 VanDerWaalsContact CB-CE1 3.48Å; P89-H91 WeakPolarHBondContact CB-CE1 3.42Å; P89-H91 PolarHBondContact O-N 3.04Å; H91-Q93 PolarHBondContact O-N 3.46Å; H91-Q93 PolarHBondContact O-NE2 3.02Å; H91-E145 IonicContact CE1-OE2 2.93Å; H91-E145 PolarHBondContact CE1-OE2 3.49Å; H91-E145 IonicContact NE2-OE1 3.66Å; H91-E145 IonicContact NE2-OE2 3.52Å; H91-E145 PolarHBondContact NE2-OE2 2.76Å
92L76Confident79.8Confident30 Ų3051.7 Ų51.716%0.15726%0.258CS..  trans-64.7122.7-179.5-171.476.8000109.7I88 P89 W94 V96 L97 L144I88-L92 HydrophobicContact CG2-CB 4.23Å; I88-L92 HydrophobicContact CG2-CD2 3.6Å; P89-L92 HydrophobicContact CB-CB 4.08Å; P89-L92 HydrophobicContact CG-CB 4.22Å; P89-L92 WeakPolarHBondContact O-CB 3.44Å; P89-L92 PolarHBondContact O-N 2.68Å; L92-W94 PolarHBondContact O-N 3.21Å; L92-V96 HydrophobicContact CD1-CB 4.11Å; L92-V96 HydrophobicContact CD1-CG1 3.98Å; L92-V96 HydrophobicContact CG-CB 4.4Å; L92-L97 HydrophobicContact CD2-CB 3.97Å; L92-L97 HydrophobicContact CD2-CD1 4.39Å; L92-L144 HydrophobicContact CD1-CD2 3.56Å; L92-L144 HydrophobicContact CD1-CG 4.29Å; L92-L144 HydrophobicContact CD2-CD2 3.41Å; L92-L144 VanDerWaalsContact CD2-CD2 3.41Å; L92-L144 HydrophobicContact CG-CD2 4.12Å
93Q73.3Confident80.1Confident125 Ų12554.1 Ų54.158%0.58427%0.27SS*.  trans-66.1133.8175.4-58-58.8-65.800109.7H91 E95 V96H91-Q93 PolarHBondContact O-N 3.46Å; H91-Q93 PolarHBondContact O-NE2 3.02Å; Q93-E95 WeakPolarHBondContact CB-OE2 3.39Å; Q93-E95 PolarHBondContact O-N 3.17Å; Q93-E95 VanDerWaalsContact O-N 3.1Å; Q93-V96 HydrophobicContact CB-CG2 4.3Å; Q93-V96 WeakPolarHBondContact O-CB 3.45Å; Q93-V96 PolarHBondContact O-N 2.94Å
94W71.3Confident80.1Confident99 Ų9955.8 Ų55.838%0.37528%0.276SS..Hα-helixtrans-54.6-33.9-176.3179.2-102.1000112.5L92 V96 L97 D98 C110 V122L92-W94 PolarHBondContact O-N 3.21Å; W94-V96 VanDerWaalsContact C-N 3.27Å; W94-V96 PolarHBondContact O-N 2.97Å; W94-L97 HydrophobicContact CE3-CD2 4.23Å; W94-L97 HydrophobicContact CZ3-CD2 4.11Å; W94-L97 PolarHBondContact O-N 3.28Å; W94-D98 WeakPolarHBondContact O-CB 3.42Å; W94-D98 PolarHBondContact O-N 2.87Å; W94-C110 HydrophobicContact CH2-CB 3.9Å; W94-C110 WeakPolarHBondContact CH2-SG 3.41Å; W94-C110 HydrophobicContact CZ2-CB 3.76Å; W94-C110 VanDerWaalsContact CZ2-SG 3.52Å; W94-V122 HydrophobicContact CH2-CG1 3.98Å; W94-V122 HydrophobicContact CZ3-CG1 4.04Å; W94-V122 HydrophobicContact CZ3-CG2 3.96Å
95E70.4Confident79.9Confident83 Ų8354.3 Ų54.339%0.38827%0.274SS..Hα-helixtrans-59.7-35178.7-6471.4-16200113Q93 S99Q93-E95 WeakPolarHBondContact CB-OE2 3.39Å; Q93-E95 PolarHBondContact O-N 3.17Å; Q93-E95 VanDerWaalsContact O-N 3.1Å; E95-S99 VanDerWaalsContact O-CB 3.23Å; E95-S99 WeakPolarHBondContact O-CB 3.42Å; E95-S99 PolarHBondContact O-N 2.83Å; E95-S99 PolarHBondContact O-OG 3.02Å
96V75.4Confident79.5Confident71 Ų7158.6 Ų58.643%0.4330%0.299SS..Hα-helixtrans-73.2-42178.9-178.60000109.7L92 Q93 W94 L100L92-V96 HydrophobicContact CD1-CB 4.11Å; L92-V96 HydrophobicContact CD1-CG1 3.98Å; L92-V96 HydrophobicContact CG-CB 4.4Å; Q93-V96 HydrophobicContact CB-CG2 4.3Å; Q93-V96 WeakPolarHBondContact O-CB 3.45Å; Q93-V96 PolarHBondContact O-N 2.94Å; W94-V96 VanDerWaalsContact C-N 3.27Å; W94-V96 PolarHBondContact O-N 2.97Å; V96-L100 WeakPolarHBondContact O-CB 3.39Å; V96-L100 PolarHBondContact O-N 3.25Å; V96-L100 VanDerWaalsContact O-N 3.14Å
97L79.8Confident79.4Confident6 Ų654.1 Ų54.13%0.03129%0.286CS..Hα-helixtrans-66.1-47175.9-173.665.2000111.2I88 L92 W94 S99 L100 L101 V122I88-L97 HydrophobicContact CD1-CD1 4.28Å; I88-L97 HydrophobicContact CD1-CD2 3.88Å; L92-L97 HydrophobicContact CD2-CB 3.97Å; L92-L97 HydrophobicContact CD2-CD1 4.39Å; W94-L97 HydrophobicContact CE3-CD2 4.23Å; W94-L97 HydrophobicContact CZ3-CD2 4.11Å; W94-L97 PolarHBondContact O-N 3.28Å; L97-S99 VanDerWaalsContact C-N 3.34Å; L97-S99 PolarHBondContact O-N 3.26Å; L97-L100 WeakPolarHBondContact O-CB 3.38Å; L97-L100 PolarHBondContact O-N 2.87Å; L97-L101 HydrophobicContact CG-CD1 4.08Å; L97-L101 VanDerWaalsContact O-CG 3.27Å; L97-L101 WeakPolarHBondContact O-CG 3.37Å; L97-L101 PolarHBondContact O-N 2.81Å; L97-V122 HydrophobicContact CD2-CB 4.27Å; L97-V122 HydrophobicContact CD2-CG1 4.34Å; L97-V122 HydrophobicContact CD2-CG2 3.8Å
98D76Confident79Confident43 Ų4357.4 Ų57.423%0.2330%0.3CS..Hα-helixtrans-60.9-43.1178.2-169.755000111.6W94 L100 L101 V102W94-D98 WeakPolarHBondContact O-CB 3.42Å; W94-D98 PolarHBondContact O-N 2.87Å; D98-L100 PolarHBondContact O-N 3.15Å; D98-L101 PolarHBondContact O-N 3Å; D98-V102 WeakPolarHBondContact O-CG2 3.38Å; D98-V102 PolarHBondContact O-N 3.47Å
99S77.1Confident78.5Confident47 Ų4759 Ų5933%0.32931%0.311SS..Hα-helixtrans-61.8-30174.5-65.60000113.5E95 L97 Q103E95-S99 VanDerWaalsContact O-CB 3.23Å; E95-S99 WeakPolarHBondContact O-CB 3.42Å; E95-S99 PolarHBondContact O-N 2.83Å; E95-S99 PolarHBondContact O-OG 3.02Å; L97-S99 VanDerWaalsContact C-N 3.34Å; L97-S99 PolarHBondContact O-N 3.26Å; S99-Q103 WeakPolarHBondContact O-CG 3.45Å; S99-Q103 PolarHBondContact O-NE2 3.45Å
100L82.7Confident78.5Confident17 Ų1760.4 Ų60.49%0.08932%0.321CS..Hα-helixtrans-77.2-40.9176.4-174.868.7000110.7V96 L97 D98 Y104 L139 F142 L149V96-L100 WeakPolarHBondContact O-CB 3.39Å; V96-L100 PolarHBondContact O-N 3.25Å; V96-L100 VanDerWaalsContact O-N 3.14Å; L97-L100 WeakPolarHBondContact O-CB 3.38Å; L97-L100 PolarHBondContact O-N 2.87Å; D98-L100 PolarHBondContact O-N 3.15Å; L100-Y104 HydrophobicContact CD1-CE2 4.29Å; L100-Y104 HydrophobicContact CG-CE2 4.45Å; L100-Y104 WeakPolarHBondContact O-CD2 3.35Å; L100-Y104 WeakPolarHBondContact O-CE2 3.39Å; L100-L139 HydrophobicContact CD1-CD2 4.13Å; L100-L139 HydrophobicContact CD2-CD2 3.62Å; L100-L139 HydrophobicContact CG-CD2 3.59Å; L100-F142 HydrophobicContact CD1-CE1 4.16Å; L100-F142 HydrophobicContact CD1-CZ 4.1Å; L100-F142 HydrophobicContact CD2-CD1 4.18Å; L100-F142 HydrophobicContact CD2-CE1 4.18Å; L100-L149 HydrophobicContact CD2-CD1 3.95Å
101L85.6Confident78.7Confident0 Ų060.6 Ų60.60%031%0.314CS..Hα-helixtrans-68.9-42.7-179-63.9171.1000112.9I85 L97 D98 Q103 Y104 V107 V124 Y126 L139I85-L101 HydrophobicContact CD1-CD2 3.33Å; L97-L101 HydrophobicContact CG-CD1 4.08Å; L97-L101 VanDerWaalsContact O-CG 3.27Å; L97-L101 WeakPolarHBondContact O-CG 3.37Å; L97-L101 PolarHBondContact O-N 2.81Å; D98-L101 PolarHBondContact O-N 3Å; L101-Q103 PolarHBondContact O-N 3Å; L101-Y104 PolarHBondContact O-N 3.29Å; L101-Y104 VanDerWaalsContact O-N 3.09Å; L101-V107 HydrophobicContact CB-CG2 3.95Å; L101-V124 HydrophobicContact CD1-CG1 4.15Å; L101-V124 HydrophobicContact CD1-CG2 3.67Å; L101-V124 HydrophobicContact CD2-CG1 4.37Å; L101-V124 HydrophobicContact CD2-CG2 4.02Å; L101-V124 HydrophobicContact CG-CG2 4.49Å; L101-Y126 WeakPolarHBondContact CD2-OH 3.45Å; L101-Y126 PolarHBondContact O-OH 2.82Å; L101-L139 HydrophobicContact CD2-CD1 3.69Å
102V84.6Confident79Confident78 Ų7861.4 Ų61.447%0.47332%0.318SS..G310 helixtrans-65.6-21-178.4174.80000112.6D98 Y104 G105 V107D98-V102 WeakPolarHBondContact O-CG2 3.38Å; D98-V102 PolarHBondContact O-N 3.47Å; V102-Y104 PolarHBondContact O-N 3.38Å; V102-G105 WeakPolarHBondContact CA-O 3.34Å; V102-G105 PolarHBondContact O-N 2.84Å; V102-V107 HydrophobicContact CG2-CG2 4.43Å
103Q83.7Confident79Confident124 Ų12462.1 Ų62.158%0.57932%0.324SS*.G310 helixtrans-64.8-22.2174.5-73.1173.738.700113.3S99 L101S99-Q103 WeakPolarHBondContact O-CG 3.45Å; S99-Q103 PolarHBondContact O-NE2 3.45Å; L101-Q103 PolarHBondContact O-N 3Å
104Y84.5Confident78.5Confident35 Ų3563.6 Ų63.614%0.13734%0.336CS..G310 helixtrans-106.6-2.3-175.9-54.4-71.9000113.2L100 L101 V102 Q134 A135 K138 L139L100-Y104 HydrophobicContact CD1-CE2 4.29Å; L100-Y104 HydrophobicContact CG-CE2 4.45Å; L100-Y104 WeakPolarHBondContact O-CD2 3.35Å; L100-Y104 WeakPolarHBondContact O-CE2 3.39Å; L101-Y104 PolarHBondContact O-N 3.29Å; L101-Y104 VanDerWaalsContact O-N 3.09Å; V102-Y104 PolarHBondContact O-N 3.38Å; Y104-Q134 HydrophobicContact CD1-CG 4.43Å; Y104-A135 HydrophobicContact CG-CB 4.3Å; Y104-K138 HydrophobicContact CD1-CB 3.89Å; Y104-K138 HydrophobicContact CD1-CG 4.13Å; Y104-K138 HydrophobicContact CE1-CB 3.34Å; Y104-K138 HydrophobicContact CE1-CG 3.73Å; Y104-L139 HydrophobicContact CD2-CD1 4.05Å; Y104-L139 HydrophobicContact CD2-CD2 3.97Å; Y104-L139 HydrophobicContact CD2-CG 3.95Å; Y104-L139 HydrophobicContact CE2-CD1 4.34Å; Y104-L139 HydrophobicContact CE2-CD2 3.41Å; Y104-L139 VanDerWaalsContact CE2-CD2 3.41Å; Y104-L139 HydrophobicContact CE2-CG 3.8Å
105G83.3Confident78.3Confident14 Ų1461.3 Ų61.314%0.14433%0.333CS..SBendtrans157.9-177.4173.900000114.7V102 V107V102-G105 WeakPolarHBondContact CA-O 3.34Å; V102-G105 PolarHBondContact O-N 2.84Å; G105-V107 PolarHBondContact O-N 3.06Å
106V81.7Confident77.8Confident90 Ų9066.1 Ų66.155%0.54536%0.361SS..  trans-81115.6174.3-178.70000108.3Y126 S127 Q131V106-Y126 WeakPolarHBondContact O-CA 3.49Å; V106-S127 PolarHBondContact O-N 3.35Å; V106-Q131 PolarHBondContact O-OE1 3.16Å
107V84.7Confident77.3Confident33 Ų3365.1 Ų65.120%0.236%0.358CS..EExtended strand (participates in β ladder)trans-85.1118.2177-179.20000108.9L101 V102 G105 S109 C110 V124 T125 Y126L101-V107 HydrophobicContact CB-CG2 3.95Å; V102-V107 HydrophobicContact CG2-CG2 4.43Å; G105-V107 PolarHBondContact O-N 3.06Å; V107-S109 WeakPolarHBondContact CG1-O 3.38Å; V107-C110 HydrophobicContact CG1-CB 4.02Å; V107-V124 HydrophobicContact CB-CG1 4.49Å; V107-V124 HydrophobicContact CG1-CG1 3.64Å; V107-V124 HydrophobicContact CG2-CG1 4.07Å; V107-T125 CarbonylContact C-O 3.59Å; V107-Y126 HydrophobicContact CG2-CD1 4.12Å; V107-Y126 HydrophobicContact CG2-CE1 3.69Å
108E78.3Confident76.9Confident117 Ų11773.7 Ų73.755%0.54740%0.397SS..EExtended strand (participates in β ladder)trans-84.3-36.2177.5-70.3-177.2155.800112.2T125 S127E108-T125 PolarHBondContact N-O 3.14Å; E108-S127 VanDerWaalsContact CD-CA 3.5Å; E108-S127 WeakPolarHBondContact OE1-CA 3.2Å
109S74.4Confident77Confident37 Ų3772.8 Ų72.826%0.25939%0.394SS..EExtended strand (participates in β ladder)trans-149.5142.7177.3173.70000110.3V107 E111 V124 T125V107-S109 WeakPolarHBondContact CG1-O 3.38Å; S109-E111 PolarHBondContact OG-OE1 2.79Å; S109-E111 VanDerWaalsContact OG-OE1 3.1Å; S109-V124 CarbonylContact O-C 3.58Å; S109-V124 WeakPolarHBondContact O-CA 3.29Å; S109-T125 PolarHBondContact N-O 3.46Å; S109-T125 PolarHBondContact O-N 3.3Å
110C80.1Confident77.1Confident31 Ų3171.3 Ų71.321%0.20938%0.384CS..EExtended strand (participates in β ladder)trans-141.4110176.7-163.50000108.2W94 V107 V122 N123W94-C110 HydrophobicContact CH2-CB 3.9Å; W94-C110 WeakPolarHBondContact CH2-SG 3.41Å; W94-C110 HydrophobicContact CZ2-CB 3.76Å; W94-C110 VanDerWaalsContact CZ2-SG 3.52Å; V107-C110 HydrophobicContact CG1-CB 4.02Å; C110-V122 WeakPolarHBondContact SG-CG1 3.2Å; C110-N123 CarbonylContact C-O 3.23Å; C110-N123 WeakPolarHBondContact CA-O 3.38Å
111E77.4Confident77.1Confident89 Ų8970.6 Ų70.642%0.41638%0.38SS..EExtended strand (participates in β ladder)trans-119.9121.2-170.5-70.5159.6-168.300109.3K82 S109 V122 N123K82-E111 IonicContact NZ-OE2 3.04Å; K82-E111 PolarHBondContact NZ-OE2 3.15Å; S109-E111 PolarHBondContact OG-OE1 2.79Å; S109-E111 VanDerWaalsContact OG-OE1 3.1Å; E111-V122 CarbonylContact O-C 3.56Å; E111-V122 WeakPolarHBondContact O-CA 3.21Å; E111-N123 HydrophobicContact CB-CB 4.41Å; E111-N123 PolarHBondContact N-O 2.85Å; E111-N123 PolarHBondContact O-N 3.33Å
112Q79.3Confident77.2Confident120 Ų12070.7 Ų70.756%0.56138%0.381SS*.EExtended strand (participates in β ladder)trans-74.1130.7169.6-170.9173.616.100109.6V122Q112-V122 HydrophobicContact CB-CG2 4.36Å; Q112-V122 HydrophobicContact CG-CG2 4.3Å
113V75.3Confident77.3Confident46 Ų4667.9 Ų67.928%0.27936%0.363SS..EExtended strand (participates in β ladder)trans-97.8124.6176.4-172.90000108T115 V121 N123V113-T115 HydrophobicContact CB-CG2 4.4Å; V113-T115 HydrophobicContact CG1-CG2 3.89Å; V113-T115 PolarHBondContact O-N 3.49Å; V113-V121 HydrophobicContact CB-CB 4.34Å; V113-V121 HydrophobicContact CB-CG1 4.22Å; V113-V121 HydrophobicContact CG2-CG1 4.4Å; V113-V121 PolarHBondContact N-O 2.9Å; V113-N123 HydrophobicContact CG2-CB 4.34Å; V113-N123 WeakPolarHBondContact CG2-ND2 3.33Å
114N62.7Low77.4Confident155 Ų15562 Ų6283%0.82934%0.336SS*.  trans-72.9114.6171.3-74.515000108.7
115T67.4Low77.4Confident51 Ų5161.5 Ų61.531%0.31334%0.337SS..  trans-127.1152.5176.554.40000109.3V113 S117 V121V113-T115 HydrophobicContact CB-CG2 4.4Å; V113-T115 HydrophobicContact CG1-CG2 3.89Å; V113-T115 PolarHBondContact O-N 3.49Å; T115-S117 PolarHBondContact O-N 2.74Å; T115-S117 PolarHBondContact OG1-OG 3.47Å; T115-V121 HydrophobicContact CG2-CB 4.2Å; T115-V121 HydrophobicContact CG2-CG2 4.08Å
116D59.9Low77.4Confident185 Ų18560.9 Ų60.999%0.98933%0.33SS*.SBendtrans-72.713.5178.6-52.1-39000113.4
117S65.4Low77.1Confident50 Ų5058.1 Ų58.135%0.3532%0.315SS..SBendtrans-89.9145-178.854.70000111.6T115 T119T115-S117 PolarHBondContact O-N 2.74Å; T115-S117 PolarHBondContact OG1-OG 3.47Å; S117-T119 PolarHBondContact O-N 2.76Å; S117-T119 PolarHBondContact OG-O 2.81Å
118E70.4Confident76.7Confident185 Ų18558.1 Ų58.186%0.86432%0.316SS*.SBendtrans-61.4-13.7175.6-64.5-178.1164.500114P90P90-E118 WeakPolarHBondContact CG-O 3.27Å
119T77.9Confident76.5Confident25 Ų2557 Ų5715%0.15331%0.309CS..SBendtrans-113.2146.7177.254.90000111.2N87 I88 S117 F147N87-T119 WeakPolarHBondContact OD1-CG2 3.45Å; I88-T119 CarbonylContact O-C 3.5Å; I88-T119 WeakPolarHBondContact O-CA 3.31Å; I88-T119 WeakPolarHBondContact O-CB 3.39Å; S117-T119 PolarHBondContact O-N 2.76Å; S117-T119 PolarHBondContact OG-O 2.81Å; T119-F147 HydrophobicContact CG2-CD1 3.76Å; T119-F147 HydrophobicContact CG2-CE1 3.5Å; T119-F147 VanDerWaalsContact CG2-CE1 3.5Å
120A79.6Confident76.6Confident15 Ų1560.4 Ų60.412%0.12433%0.325CS..EExtended strand (participates in β ladder)trans-72.4148.9179.900000111.7I88I88-A120 HydrophobicContact CB-CB 4.01Å; I88-A120 WeakPolarHBondContact CB-O 3.43Å; I88-A120 HydrophobicContact CG2-CB 4.29Å; I88-A120 PolarHBondContact N-O 2.89Å; I88-A120 VanDerWaalsContact N-O 3.15Å; I88-A120 PolarHBondContact O-N 2.87Å
121V83.2Confident76.8Confident2 Ų261.1 Ų61.11%0.01233%0.325CS..EExtended strand (participates in β ladder)trans-123.1133.6175178.50000108.8Q84 I85 R86 V113 T115Q84-V121 HydrophobicContact CG-CG1 3.63Å; I85-V121 CarbonylContact O-C 3.41Å; I85-V121 WeakPolarHBondContact O-CA 3.36Å; R86-V121 HydrophobicContact CB-CG2 4.24Å; R86-V121 HydrophobicContact CG-CG1 3.97Å; R86-V121 HydrophobicContact CG-CG2 4.07Å; V113-V121 HydrophobicContact CB-CB 4.34Å; V113-V121 HydrophobicContact CB-CG1 4.22Å; V113-V121 HydrophobicContact CG2-CG1 4.4Å; V113-V121 PolarHBondContact N-O 2.9Å; T115-V121 HydrophobicContact CG2-CB 4.2Å; T115-V121 HydrophobicContact CG2-CG2 4.08Å
122V86.4Confident77.1Confident2 Ų256.9 Ų56.91%0.01231%0.305CS..EExtended strand (participates in β ladder)trans-132.5134.4-177.8178.30000110.2Q84 I85 I88 W94 L97 C110 E111 Q112 V124Q84-V122 CarbonylContact C-O 3.48Å; Q84-V122 WeakPolarHBondContact CA-O 3.36Å; I85-V122 PolarHBondContact N-O 2.82Å; I85-V122 PolarHBondContact O-N 3.16Å; I88-V122 HydrophobicContact CD1-CB 3.79Å; I88-V122 HydrophobicContact CD1-CG2 3.54Å; W94-V122 HydrophobicContact CH2-CG1 3.98Å; W94-V122 HydrophobicContact CZ3-CG1 4.04Å; W94-V122 HydrophobicContact CZ3-CG2 3.96Å; L97-V122 HydrophobicContact CD2-CB 4.27Å; L97-V122 HydrophobicContact CD2-CG1 4.34Å; L97-V122 HydrophobicContact CD2-CG2 3.8Å; C110-V122 WeakPolarHBondContact SG-CG1 3.2Å; E111-V122 CarbonylContact O-C 3.56Å; E111-V122 WeakPolarHBondContact O-CA 3.21Å; Q112-V122 HydrophobicContact CB-CG2 4.36Å; Q112-V122 HydrophobicContact CG-CG2 4.3Å; V122-V124 HydrophobicContact CG1-CG2 3.98Å
123N87.1Confident77.2Confident20 Ų2058.1 Ų58.111%0.10730%0.304CS..EExtended strand (participates in β ladder)trans-100.5124.1174.2-66.8-15.7000109.5L83 Q84 C110 E111 V113 I154L83-N123 CarbonylContact O-C 3.54Å; L83-N123 VanDerWaalsContact O-CA 3.31Å; L83-N123 WeakPolarHBondContact O-CA 2.96Å; Q84-N123 WeakPolarHBondContact CB-OD1 3.34Å; Q84-N123 WeakPolarHBondContact CG-OD1 3.43Å; Q84-N123 PolarHBondContact NE2-OD1 2.87Å; C110-N123 CarbonylContact C-O 3.23Å; C110-N123 WeakPolarHBondContact CA-O 3.38Å; E111-N123 HydrophobicContact CB-CB 4.41Å; E111-N123 PolarHBondContact N-O 2.85Å; E111-N123 PolarHBondContact O-N 3.33Å; V113-N123 HydrophobicContact CG2-CB 4.34Å; V113-N123 WeakPolarHBondContact CG2-ND2 3.33Å; N123-I154 HydrophobicContact CB-CD1 3.68Å; N123-I154 WeakPolarHBondContact OD1-CD1 3.23Å
124V87.1Confident77.7Confident0 Ų060.9 Ų60.90%032%0.315CS..EExtended strand (participates in β ladder)trans-121.2131.1-175-170.10000109.8K82 L83 I85 L101 V107 S109 V122 Y126K82-V124 CarbonylContact C-O 3.59Å; K82-V124 VanDerWaalsContact CA-O 3.3Å; K82-V124 WeakPolarHBondContact CA-O 3.41Å; L83-V124 PolarHBondContact N-O 2.92Å; L83-V124 PolarHBondContact O-N 3.48Å; I85-V124 HydrophobicContact CD1-CG2 3.79Å; I85-V124 HydrophobicContact CG1-CG2 4.35Å; L101-V124 HydrophobicContact CD1-CG1 4.15Å; L101-V124 HydrophobicContact CD1-CG2 3.67Å; L101-V124 HydrophobicContact CD2-CG1 4.37Å; L101-V124 HydrophobicContact CD2-CG2 4.02Å; L101-V124 HydrophobicContact CG-CG2 4.49Å; V107-V124 HydrophobicContact CB-CG1 4.49Å; V107-V124 HydrophobicContact CG1-CG1 3.64Å; V107-V124 HydrophobicContact CG2-CG1 4.07Å; S109-V124 CarbonylContact O-C 3.58Å; S109-V124 WeakPolarHBondContact O-CA 3.29Å; V122-V124 HydrophobicContact CG1-CG2 3.98Å; V124-Y126 HydrophobicContact CB-CE2 4.26Å; V124-Y126 HydrophobicContact CG1-CD2 4.12Å; V124-Y126 HydrophobicContact CG1-CE2 3.6Å
125T83.1Confident78.8Confident25 Ų2553.5 Ų53.515%0.15328%0.275CS..EExtended strand (participates in β ladder)trans-113.7122.1175.7-50.40000109.6R81 K82 V107 E108 S109R81-T125 HydrophobicContact CB-CG2 4.18Å; R81-T125 CarbonylContact O-C 3.55Å; R81-T125 WeakPolarHBondContact O-CA 3.46Å; K82-T125 WeakPolarHBondContact CG-OG1 3.45Å; V107-T125 CarbonylContact C-O 3.59Å; E108-T125 PolarHBondContact N-O 3.14Å; S109-T125 PolarHBondContact N-O 3.46Å; S109-T125 PolarHBondContact O-N 3.3Å
126Y83.3Confident79.8Confident0 Ų052.3 Ų52.30%027%0.267CS..EExtended strand (participates in β ladder)trans-98.3150.6177.2-70.8-92.9000112.3R81 L83 L101 V106 V107 V124 S128 Q131 A132 A135R81-Y126 WeakPolarHBondContact CB-O 3.12Å; R81-Y126 WeakPolarHBondContact CD-O 3.31Å; R81-Y126 PolarHBondContact O-N 2.89Å; L83-Y126 HydrophobicContact CD1-CD2 4.18Å; L83-Y126 HydrophobicContact CD1-CE2 3.78Å; L101-Y126 WeakPolarHBondContact CD2-OH 3.45Å; L101-Y126 PolarHBondContact O-OH 2.82Å; V106-Y126 WeakPolarHBondContact O-CA 3.49Å; V107-Y126 HydrophobicContact CG2-CD1 4.12Å; V107-Y126 HydrophobicContact CG2-CE1 3.69Å; V124-Y126 HydrophobicContact CB-CE2 4.26Å; V124-Y126 HydrophobicContact CG1-CD2 4.12Å; V124-Y126 HydrophobicContact CG1-CE2 3.6Å; Y126-S128 PolarHBondContact O-N 3.41Å; Y126-Q131 HydrophobicContact CD1-CB 4.04Å; Y126-Q131 HydrophobicContact CG-CB 4.3Å; Y126-A132 HydrophobicContact CD2-CB 3.95Å; Y126-A132 HydrophobicContact CG-CB 4.28Å; Y126-A135 HydrophobicContact CD2-CB 4.41Å; Y126-A135 HydrophobicContact CE1-CB 4.19Å; Y126-A135 HydrophobicContact CE2-CB 3.59Å; Y126-A135 VanDerWaalsContact CZ-CB 3.45Å; Y126-A135 WeakPolarHBondContact OH-CB 3.39Å
127S76.3Confident80.9Confident33 Ų3348.8 Ų48.823%0.23125%0.248CC..SBendtrans-59.6-29179.8720000114.1R81 V106 E108 Q131R81-S127 PolarHBondContact NH1-O 2.92Å; V106-S127 PolarHBondContact O-N 3.35Å; E108-S127 VanDerWaalsContact CD-CA 3.5Å; E108-S127 WeakPolarHBondContact OE1-CA 3.2Å; S127-Q131 PolarHBondContact OG-OE1 2.75Å
128S76.1Confident81.9Confident32 Ų3252.6 Ų52.622%0.22426%0.258CS..SBendtrans-131.1152.9179.3940000112.9Y126 D130 Q131 A132Y126-S128 PolarHBondContact O-N 3.41Å; S128-D130 PolarHBondContact O-N 3.27Å; S128-D130 PolarHBondContact OG-N 2.98Å; S128-Q131 PolarHBondContact O-N 3.3Å; S128-Q131 WeakPolarHBondContact OG-CB 3.43Å; S128-Q131 VanDerWaalsContact OG-CG 3.28Å; S128-Q131 WeakPolarHBondContact OG-CG 3.36Å; S128-Q131 PolarHBondContact OG-N 3.43Å; S128-Q131 VanDerWaalsContact OG-N 3.09Å; S128-A132 PolarHBondContact O-N 2.79Å; S128-A132 VanDerWaalsContact O-N 3.14Å
129K73.3Confident82.7Confident95 Ų9543.9 Ų43.941%0.41322%0.217SC..Hα-helixtrans-58.1-40.4173.3162.3177.3-171.9169.30111.6I80 A132 R133I80-K129 HydrophobicContact CB-CB 4.39Å; I80-K129 HydrophobicContact CB-CD 4.33Å; I80-K129 HydrophobicContact CB-CG 3.9Å; I80-K129 HydrophobicContact CD1-CD 3.41Å; I80-K129 VanDerWaalsContact CD1-CD 3.41Å; I80-K129 HydrophobicContact CD1-CG 4Å; I80-K129 HydrophobicContact CG1-CB 3.91Å; I80-K129 HydrophobicContact CG1-CD 3.46Å; I80-K129 VanDerWaalsContact CG1-CD 3.46Å; I80-K129 HydrophobicContact CG1-CG 3.5Å; I80-K129 VanDerWaalsContact CG1-CG 3.5Å; K129-A132 PolarHBondContact O-N 3.35Å; K129-R133 WeakPolarHBondContact O-CB 3.41Å; K129-R133 PolarHBondContact O-N 3.11Å
130D76.3Confident83.2Confident108 Ų10846.8 Ų46.858%0.57823%0.232SC*.Hα-helixtrans-72.9-35.6-173.9-58.6-52.1000110.8S128 R133 Q134S128-D130 PolarHBondContact O-N 3.27Å; S128-D130 PolarHBondContact OG-N 2.98Å; D130-R133 PolarHBondContact O-N 3.41Å; D130-Q134 VanDerWaalsContact O-CB 3.32Å; D130-Q134 WeakPolarHBondContact O-CB 3.49Å; D130-Q134 PolarHBondContact O-N 3.07Å
131Q85.7Confident83.3Confident46 Ų4648.2 Ų48.222%0.21525%0.248CC..Hα-helixtrans-64.1-46.5171.8-74.1172.99.700111.9V106 Y126 S127 S128 R133 Q134 A135V106-Q131 PolarHBondContact O-OE1 3.16Å; Y126-Q131 HydrophobicContact CD1-CB 4.04Å; Y126-Q131 HydrophobicContact CG-CB 4.3Å; S127-Q131 PolarHBondContact OG-OE1 2.75Å; S128-Q131 PolarHBondContact O-N 3.3Å; S128-Q131 WeakPolarHBondContact OG-CB 3.43Å; S128-Q131 VanDerWaalsContact OG-CG 3.28Å; S128-Q131 WeakPolarHBondContact OG-CG 3.36Å; S128-Q131 PolarHBondContact OG-N 3.43Å; S128-Q131 VanDerWaalsContact OG-N 3.09Å; Q131-R133 VanDerWaalsContact C-N 3.33Å; Q131-R133 PolarHBondContact O-N 2.81Å; Q131-Q134 PolarHBondContact O-N 2.78Å; Q131-A135 WeakPolarHBondContact O-CB 3.24Å; Q131-A135 PolarHBondContact O-N 2.79Å
132A82.5Confident83.4Confident0 Ų051.6 Ų51.60%026%0.263CS..Hα-helixtrans-62.3-38.7175.100000112.6I80 L83 Y126 S128 K129 A135 L136 Y153I80-A132 WeakPolarHBondContact O-CB 3.31Å; L83-A132 HydrophobicContact CD1-CB 4.43Å; L83-A132 VanDerWaalsContact CD1-O 3.29Å; L83-A132 WeakPolarHBondContact CD1-O 3.48Å; L83-A132 HydrophobicContact CG-CB 4.35Å; Y126-A132 HydrophobicContact CD2-CB 3.95Å; Y126-A132 HydrophobicContact CG-CB 4.28Å; S128-A132 PolarHBondContact O-N 2.79Å; S128-A132 VanDerWaalsContact O-N 3.14Å; K129-A132 PolarHBondContact O-N 3.35Å; A132-A135 PolarHBondContact O-N 3.19Å; A132-L136 WeakPolarHBondContact O-CB 3.1Å; A132-L136 PolarHBondContact O-N 2.77Å; A132-Y153 HydrophobicContact CB-CE1 4.4Å
133R82.9Confident83.2Confident145 Ų14558.4 Ų58.455%0.54729%0.294SS..Hα-helixtrans-65.6-43.4175.4-173.7-179.9-178.2172.82.3111.9K129 D130 Q131 A135 L136 D137 Y153K129-R133 WeakPolarHBondContact O-CB 3.41Å; K129-R133 PolarHBondContact O-N 3.11Å; D130-R133 PolarHBondContact O-N 3.41Å; Q131-R133 VanDerWaalsContact C-N 3.33Å; Q131-R133 PolarHBondContact O-N 2.81Å; R133-A135 VanDerWaalsContact C-N 3.34Å; R133-L136 PolarHBondContact O-N 3.34Å; R133-D137 PolarHBondContact O-N 3.3Å; R133-Y153 WeakPolarHBondContact CA-OH 3.3Å
134Q84.1Confident82.8Confident105 Ų10558.7 Ų58.749%0.49130%0.296SS..Hα-helixtrans-63.4-41.4177-174.8175.60.300111.6Y104 D130 Q131 K138Y104-Q134 HydrophobicContact CD1-CG 4.43Å; D130-Q134 VanDerWaalsContact O-CB 3.32Å; D130-Q134 WeakPolarHBondContact O-CB 3.49Å; D130-Q134 PolarHBondContact O-N 3.07Å; Q131-Q134 PolarHBondContact O-N 2.78Å; Q134-K138 WeakPolarHBondContact O-CB 3.35Å; Q134-K138 VanDerWaalsContact O-CG 3.3Å; Q134-K138 WeakPolarHBondContact O-CG 3.48Å; Q134-K138 PolarHBondContact O-N 2.9Å
135A87.3Confident82.3Confident0 Ų064.2 Ų64.20%032%0.322CS..Hα-helixtrans-62.9-45174.200000111.6L83 Y104 Y126 Q131 A132 R133 K138 L139L83-A135 HydrophobicContact CD1-CB 3.81Å; Y104-A135 HydrophobicContact CG-CB 4.3Å; Y126-A135 HydrophobicContact CD2-CB 4.41Å; Y126-A135 HydrophobicContact CE1-CB 4.19Å; Y126-A135 HydrophobicContact CE2-CB 3.59Å; Y126-A135 VanDerWaalsContact CZ-CB 3.45Å; Y126-A135 WeakPolarHBondContact OH-CB 3.39Å; Q131-A135 WeakPolarHBondContact O-CB 3.24Å; Q131-A135 PolarHBondContact O-N 2.79Å; A132-A135 PolarHBondContact O-N 3.19Å; R133-A135 VanDerWaalsContact C-N 3.34Å; A135-K138 PolarHBondContact O-N 2.85Å; A135-L139 HydrophobicContact CB-CD1 4.03Å; A135-L139 WeakPolarHBondContact O-CB 3.49Å; A135-L139 WeakPolarHBondContact O-CG 3.34Å; A135-L139 PolarHBondContact O-N 2.83Å
136L87.5Confident82.2Confident26 Ų2670.8 Ų70.814%0.13636%0.356CS..Hα-helixtrans-58.3-51.3176.3178.371.5000111.9L83 A132 R133 K138 N140 V151 Y153L83-L136 HydrophobicContact CD1-CB 4.31Å; L83-L136 HydrophobicContact CD2-CB 4.13Å; L83-L136 HydrophobicContact CD2-CD1 4.35Å; A132-L136 WeakPolarHBondContact O-CB 3.1Å; A132-L136 PolarHBondContact O-N 2.77Å; R133-L136 PolarHBondContact O-N 3.34Å; L136-K138 PolarHBondContact O-N 2.93Å; L136-N140 WeakPolarHBondContact O-CB 3.44Å; L136-N140 PolarHBondContact O-N 3.29Å; L136-V151 VanDerWaalsContact CD1-C 3.43Å; L136-V151 HydrophobicContact CD1-CB 3.88Å; L136-V151 HydrophobicContact CD1-CG1 3.67Å; L136-V151 WeakPolarHBondContact CD1-O 3.32Å; L136-Y153 HydrophobicContact CD2-CD2 3.86Å; L136-Y153 HydrophobicContact CD2-CE2 3.33Å
137D83.8Confident82.2Confident111 Ų11173.4 Ų73.459%0.59437%0.367SS*.Hα-helixtrans-66.3-25-175.4-73.2-18.5000112.6R133R133-D137 PolarHBondContact O-N 3.3Å
138K85.6Confident82.7Confident130 Ų13074.4 Ų74.457%0.56537%0.372SS*.Hα-helixtrans-99.8-31.5-176.9-66.7-64.8-174.6-178.30114.4Y104 Q134 A135 L136Y104-K138 HydrophobicContact CD1-CB 3.89Å; Y104-K138 HydrophobicContact CD1-CG 4.13Å; Y104-K138 HydrophobicContact CE1-CB 3.34Å; Y104-K138 HydrophobicContact CE1-CG 3.73Å; Q134-K138 WeakPolarHBondContact O-CB 3.35Å; Q134-K138 VanDerWaalsContact O-CG 3.3Å; Q134-K138 WeakPolarHBondContact O-CG 3.48Å; Q134-K138 PolarHBondContact O-N 2.9Å; A135-K138 PolarHBondContact O-N 2.85Å; L136-K138 PolarHBondContact O-N 2.93Å
139L87.3Confident83.2Confident1 Ų172.9 Ų72.91%0.00536%0.361CS..Hα-helixtrans-89.9-26.4-179.2-64.2171.8000112.6I85 L100 L101 Y104 A135 G141 F142 V151I85-L139 HydrophobicContact CD1-CD1 4.22Å; L100-L139 HydrophobicContact CD1-CD2 4.13Å; L100-L139 HydrophobicContact CD2-CD2 3.62Å; L100-L139 HydrophobicContact CG-CD2 3.59Å; L101-L139 HydrophobicContact CD2-CD1 3.69Å; Y104-L139 HydrophobicContact CD2-CD1 4.05Å; Y104-L139 HydrophobicContact CD2-CD2 3.97Å; Y104-L139 HydrophobicContact CD2-CG 3.95Å; Y104-L139 HydrophobicContact CE2-CD1 4.34Å; Y104-L139 HydrophobicContact CE2-CD2 3.41Å; Y104-L139 VanDerWaalsContact CE2-CD2 3.41Å; Y104-L139 HydrophobicContact CE2-CG 3.8Å; A135-L139 HydrophobicContact CB-CD1 4.03Å; A135-L139 WeakPolarHBondContact O-CB 3.49Å; A135-L139 WeakPolarHBondContact O-CG 3.34Å; A135-L139 PolarHBondContact O-N 2.83Å; L139-G141 PolarHBondContact O-N 2.88Å; L139-F142 VanDerWaalsContact O-CB 3.23Å; L139-F142 WeakPolarHBondContact O-CB 3.35Å; L139-F142 PolarHBondContact O-N 2.85Å; L139-V151 HydrophobicContact CB-CG2 3.63Å
140N88.2Confident83.7Confident86 Ų8674.9 Ų74.946%0.4637%0.37SS..THydrogen-bonded Turntrans-70.4117.1178.6-16730.1000110.3L136 V151L136-N140 WeakPolarHBondContact O-CB 3.44Å; L136-N140 PolarHBondContact O-N 3.29Å; N140-V151 HydrophobicContact CB-CB 4.06Å; N140-V151 HydrophobicContact CB-CG2 4.49Å; N140-V151 PolarHBondContact OD1-N 2.81Å; N140-V151 PolarHBondContact OD1-O 2.75Å
141G81.6Confident84.3Confident45 Ų4570 Ų7046%0.46434%0.344SS..THydrogen-bonded Turntrans87.53.1-17300000114.3L139 Q143 L149L139-G141 PolarHBondContact O-N 2.88Å; G141-Q143 PolarHBondContact O-N 2.84Å; G141-L149 PolarHBondContact N-O 3.14Å
142F85.9Confident84.2Confident73 Ų7370.3 Ų70.332%0.3235%0.354SS..  trans-67.8125.2177.1-171.4-92.3000110.3L100 L139 L144 L149L100-F142 HydrophobicContact CD1-CE1 4.16Å; L100-F142 HydrophobicContact CD1-CZ 4.1Å; L100-F142 HydrophobicContact CD2-CD1 4.18Å; L100-F142 HydrophobicContact CD2-CE1 4.18Å; L139-F142 VanDerWaalsContact O-CB 3.23Å; L139-F142 WeakPolarHBondContact O-CB 3.35Å; L139-F142 PolarHBondContact O-N 2.85Å; F142-L144 HydrophobicContact CD1-CB 4.44Å; F142-L144 HydrophobicContact CE1-CD1 3.97Å; F142-L149 HydrophobicContact CB-CD1 4.37Å; F142-L149 HydrophobicContact CD1-CD1 4.17Å; F142-L149 PolarHBondContact O-N 2.75Å
143Q81.4Confident84.1Confident145 Ų14573.8 Ų73.868%0.67837%0.368SS*.EExtended strand (participates in β ladder)trans-84.9117.9177.4-72.8-175.7-7.100109.8G141G141-Q143 PolarHBondContact O-N 2.84Å
144L79.6Confident83.4Confident26 Ų2669.1 Ų69.114%0.13635%0.354CS..EExtended strand (participates in β ladder)trans-117105.3173.6-163.873.8000107.3P89 L92 F142 N146 F147P89-L144 HydrophobicContact CG-CD2 4.3Å; L92-L144 HydrophobicContact CD1-CD2 3.56Å; L92-L144 HydrophobicContact CD1-CG 4.29Å; L92-L144 HydrophobicContact CD2-CD2 3.41Å; L92-L144 VanDerWaalsContact CD2-CD2 3.41Å; L92-L144 HydrophobicContact CG-CD2 4.12Å; F142-L144 HydrophobicContact CD1-CB 4.44Å; F142-L144 HydrophobicContact CE1-CD1 3.97Å; L144-N146 PolarHBondContact O-N 2.81Å; L144-F147 PolarHBondContact N-O 2.98Å; L144-F147 PolarHBondContact O-N 3.2Å
145E77.4Confident81.9Confident117 Ų11769.1 Ų69.155%0.54736%0.362SS..THydrogen-bonded Turntrans56.3-121.3-167.2-53.2175.5178.800110.8H91H91-E145 IonicContact CE1-OE2 2.93Å; H91-E145 PolarHBondContact CE1-OE2 3.49Å; H91-E145 IonicContact NE2-OE1 3.66Å; H91-E145 IonicContact NE2-OE2 3.52Å; H91-E145 PolarHBondContact NE2-OE2 2.76Å
146N80.8Confident79.8Confident163 Ų16375.8 Ų75.887%0.87240%0.398SS*.THydrogen-bonded Turntrans-94.65.8176.9-62.6-20.1000113.1L144L144-N146 PolarHBondContact O-N 2.81Å
147F83.1Confident77.5Confident55 Ų5583.5 Ų83.524%0.24143%0.434CS..EExtended strand (participates in β ladder)trans-109.4125.6-175.5-64.3-94.3000111N87 P89 T119 L144N87-F147 WeakPolarHBondContact O-CB 3.44Å; P89-F147 HydrophobicContact CB-CD2 3.78Å; P89-F147 HydrophobicContact CB-CE2 3.92Å; P89-F147 HydrophobicContact CB-CG 4.33Å; P89-F147 HydrophobicContact CG-CB 4.06Å; P89-F147 HydrophobicContact CG-CD2 3.61Å; P89-F147 HydrophobicContact CG-CE2 4.27Å; P89-F147 HydrophobicContact CG-CG 3.95Å; T119-F147 HydrophobicContact CG2-CD1 3.76Å; T119-F147 HydrophobicContact CG2-CE1 3.5Å; T119-F147 VanDerWaalsContact CG2-CE1 3.5Å; L144-F147 PolarHBondContact N-O 2.98Å; L144-F147 PolarHBondContact O-N 3.2Å
148T85.9Confident75.4Confident53 Ų5387.1 Ų87.133%0.32545%0.449SS..EExtended strand (participates in β ladder)trans-91.4113.3173.8-55.20000109.5N87 K150N87-T148 WeakPolarHBondContact CB-O 3.28Å; N87-T148 PolarHBondContact ND2-N 2.87Å; N87-T148 PolarHBondContact ND2-O 3.06Å; T148-K150 PolarHBondContact O-N 2.78Å
149L87.8Confident73Confident1 Ų184.7 Ų84.71%0.00545%0.453CS..  trans-62.7134.5178.4-61.5-176.3000110.5I85 I88 L100 G141 F142I85-L149 HydrophobicContact CG2-CB 4.43Å; I85-L149 HydrophobicContact CG2-CD1 4.5Å; I85-L149 HydrophobicContact CG2-CD2 4.29Å; I88-L149 HydrophobicContact CB-CD2 4.45Å; I88-L149 HydrophobicContact CG1-CD2 3.8Å; L100-L149 HydrophobicContact CD2-CD1 3.95Å; G141-L149 PolarHBondContact N-O 3.14Å; F142-L149 HydrophobicContact CB-CD1 4.37Å; F142-L149 HydrophobicContact CD1-CD1 4.17Å; F142-L149 PolarHBondContact O-N 2.75Å
150K84.1Confident70.4Confident136 Ų13688.7 Ų88.759%0.59149%0.487SS*.EExtended strand (participates in β ladder)trans-113115174.1-70.7-177-179.9176.30109I85 R86 T148I85-K150 CarbonylContact C-O 3.3Å; I85-K150 WeakPolarHBondContact CA-O 3.41Å; R86-K150 HydrophobicContact CB-CB 4.45Å; R86-K150 PolarHBondContact N-O 3.45Å; R86-K150 PolarHBondContact O-N 3.01Å; T148-K150 PolarHBondContact O-N 2.78Å
151V87.7Confident68Low6 Ų693.3 Ų93.34%0.03651%0.505CS..EExtended strand (participates in β ladder)trans-113.6131.8-177.2-169.60000109.7L83 Q84 I85 L136 L139 N140L83-V151 HydrophobicContact CB-CG1 4.02Å; L83-V151 HydrophobicContact CD1-CG1 4.02Å; L83-V151 HydrophobicContact CG-CG1 4.42Å; Q84-V151 CarbonylContact O-C 3.55Å; Q84-V151 VanDerWaalsContact O-CA 3.31Å; Q84-V151 WeakPolarHBondContact O-CA 3.45Å; I85-V151 HydrophobicContact CB-CG2 4.31Å; I85-V151 HydrophobicContact CD1-CG2 4.45Å; I85-V151 HydrophobicContact CG1-CB 4.43Å; I85-V151 HydrophobicContact CG1-CG1 3.93Å; I85-V151 HydrophobicContact CG1-CG2 3.84Å; I85-V151 HydrophobicContact CG2-CG2 4.05Å; L136-V151 VanDerWaalsContact CD1-C 3.43Å; L136-V151 HydrophobicContact CD1-CB 3.88Å; L136-V151 HydrophobicContact CD1-CG1 3.67Å; L136-V151 WeakPolarHBondContact CD1-O 3.32Å; L139-V151 HydrophobicContact CB-CG2 3.63Å; N140-V151 HydrophobicContact CB-CB 4.06Å; N140-V151 HydrophobicContact CB-CG2 4.49Å; N140-V151 PolarHBondContact OD1-N 2.81Å; N140-V151 PolarHBondContact OD1-O 2.75Å
152A83.1Confident65.7Low52 Ų52100.4 Ų100.443%0.4353%0.526SS..EExtended strand (participates in β ladder)trans-142155.5177.900000110.3L83 Q84L83-A152 CarbonylContact C-O 3.55Å; L83-A152 WeakPolarHBondContact CA-O 3.11Å; Q84-A152 PolarHBondContact N-O 2.92Å; Q84-A152 PolarHBondContact O-N 3.1Å
153Y80.3Confident63.1Low74 Ų74104.8 Ų104.829%0.2955%0.553SS.*EExtended strand (participates in β ladder)trans-66.2139.3166.2-73.7-69.9000109.8I80 L83 A132 R133 L136 P155I80-Y153 HydrophobicContact CB-CE1 4.01Å; I80-Y153 HydrophobicContact CG2-CD1 4.24Å; I80-Y153 HydrophobicContact CG2-CE1 3.62Å; I80-Y153 HydrophobicContact CG2-CE2 3.98Å; I80-Y153 VanDerWaalsContact CG2-CZ 3.47Å; I80-Y153 VanDerWaalsContact O-CE1 3.26Å; I80-Y153 WeakPolarHBondContact O-CE1 3.23Å; L83-Y153 HydrophobicContact CD2-CD1 3.41Å; L83-Y153 VanDerWaalsContact CD2-CD1 3.41Å; L83-Y153 HydrophobicContact CD2-CE1 3.29Å; L83-Y153 HydrophobicContact CD2-CG 4.07Å; L83-Y153 HydrophobicContact CG-CE1 4.47Å; A132-Y153 HydrophobicContact CB-CE1 4.4Å; R133-Y153 WeakPolarHBondContact CA-OH 3.3Å; L136-Y153 HydrophobicContact CD2-CD2 3.86Å; L136-Y153 HydrophobicContact CD2-CE2 3.33Å; Y153-P155 VanDerWaalsContact O-CD 3.3Å; Y153-P155 WeakPolarHBondContact O-CD 3.31Å
154I68.9Low61.3Low47 Ų47102.7 Ų102.724%0.24155%0.552CS.*PPolyproline II helixtrans-77.7118.6169.4-55-176.5000107.2K82 Q84 N123 D156K82-I154 HydrophobicContact CD-CD1 4.04Å; K82-I154 HydrophobicContact CG-CD1 3.82Å; K82-I154 HydrophobicContact CG-CG1 4.38Å; K82-I154 PolarHBondContact O-N 3.25Å; Q84-I154 HydrophobicContact CB-CD1 3.77Å; Q84-I154 HydrophobicContact CB-CG1 3.46Å; Q84-I154 VanDerWaalsContact CB-CG1 3.46Å; N123-I154 HydrophobicContact CB-CD1 3.68Å; N123-I154 WeakPolarHBondContact OD1-CD1 3.23Å; I154-D156 PolarHBondContact O-N 3.43Å
155P52.8Low58.9Low104 Ų104108.8 Ų108.868%0.67558%0.584SS**PPolyproline II helixtrans-64.7129.2164.9-10.426.8000107.6Y153 E157Y153-P155 VanDerWaalsContact O-CD 3.3Å; Y153-P155 WeakPolarHBondContact O-CD 3.31Å; P155-E157 PolarHBondContact O-N 3.36Å; P155-E157 VanDerWaalsContact O-N 3.14Å
156D43.7Very low56.8Low141 Ų141111.2 Ų111.275%0.75460%0.596SS**PPolyproline II helixtrans-52.3125163.3-94.2-29.5000107.7I154 M158 A159I154-D156 PolarHBondContact O-N 3.43Å; D156-M158 PolarHBondContact O-N 2.79Å; D156-A159 PolarHBondContact O-N 2.87Å
157E39.2Very low54.4Low188 Ų188112.6 Ų112.688%0.87960%0.597SS**THydrogen-bonded Turntrans-69.544.5175.9-90.4-164.4127.700112.4P155P155-E157 PolarHBondContact O-N 3.36Å; P155-E157 VanDerWaalsContact O-N 3.14Å
158M39.1Very low52.5Low187 Ų187114.9 Ų114.992%0.92162%0.617SS**THydrogen-bonded Turntrans-120.617.3160.8-75.3-174.965.700111.8D156D156-M158 PolarHBondContact O-N 2.79Å
159A36.2Very low49.8Very low79 Ų79124.2 Ų124.265%0.65365%0.646SS**SBendtrans-131.511177.500000114.8D156D156-A159 PolarHBondContact O-N 2.87Å
160A32.6Very low46.9Very low85 Ų85127.9 Ų127.970%0.70268%0.684SS**  trans-103.154176.400000111.9
161Q36.2Very low44.2Very low182 Ų182130.5 Ų130.585%0.8569%0.69SS**SBendtrans-139.376.7152.1-80.1-170.9-4.300108.3
162Q35Very low41.3Very low194 Ų194139.9 Ų139.991%0.90773%0.725SS**SBendtrans178.1130135.4-95.4163.131.200109.3
163N31Very low38.5Very low165 Ų165140.5 Ų140.588%0.88274%0.737SS**  trans-68165.5-177.2-108-8.7000112.9
164P43Very low36Very low101 Ų101145.8 Ų145.866%0.65677%0.769SS**  trans-93.4157.2-159.436.4-34000113.3
165L30.4Very low33.9Very low154 Ų154146.9 Ų146.981%0.80679%0.792SS**  trans-165.8125.8140.9-93.5140.2000111.9
166Q32.8Very low32.7Very low169 Ų169149.6 Ų149.679%0.7980%0.795SS**  trans67.599.1148.5-70.5169.619.100122.2
167Q29Very low31.9Very low192 Ų192153.6 Ų153.690%0.89780%0.8SS**  52.9155.5114.6-81-15720.700123.5
168P44.8Very low31.2Very low102 Ų102148 Ų14866%0.66279%0.793SS**  trans-121169.8-132.342.7-31.9000115.1
169R28.2Very low30.6Very low249 Ų249145.1 Ų145.194%0.9479%0.791SS**  trans177.6121.7142-99.5157.4178.3-163.1-0.1108.8
170G27Very low30.2Very low78 Ų78147 Ų14780%0.80480%0.799SS**  82.5143.793.600000110.3
171R27.9Very low30Very low191 Ų191154.1 Ų154.172%0.72181%0.808SS**  cis171.2141.86.2166.7177.2-170.6-168.11.9105.3
172R26.9Very low29.7Very low203 Ų203154.7 Ų154.777%0.76681%0.811SS**  trans65.8149.6162.8-71.9178-75.5-167.92.2115.8
173G24.7Very low29.2Very low65 Ų65149.1 Ų149.167%0.6781%0.805SS**  cis172.6138.47.900000105.4
174L26.1Very low29.2Very low185 Ų185146.8 Ų146.897%0.96980%0.802SS**  97.9122.794-13593.5000113.5
175G24.7Very low29Very low70 Ų70148.1 Ų148.172%0.72281%0.81SS**  trans96.1148.2153.700000115.6
176Q28.7Very low29Very low161 Ų161144.6 Ų144.675%0.75281%0.811SS**  cis-177.5148.5-1.1-151.4-178.27300107.2
177R25.9Very low28.9Very low226 Ų226142.2 Ų142.285%0.85381%0.814SS**  trans59.7114153.9-85.3170166175.8-7.5118.6
178G25Very low29.2Very low70 Ų70139.9 Ų139.972%0.72281%0.812SS**  107.3147.284.800000107.4
179S27.6Very low28.8Very low126 Ų126140.3 Ų140.388%0.88182%0.817SS**  cis-164.5153.323.1-46.20000108.4
180S27.9Very low29.1Very low119 Ų119138.1 Ų138.183%0.83282%0.815SS**  trans-71151-179.2-380000114.6
181R26.8Very low29.7Very low234 Ų234143.7 Ų143.788%0.88382%0.82SS**  trans-169.5106.2143.9-103.5170.4-175.8-167.90.8107.8
182Q29.5Very low30.2Very low195 Ų195143.9 Ų143.991%0.91183%0.826SS**  81.7114.982-165.2171.46500112.4
183G25.6Very low31.1Very low77 Ų77139.4 Ų139.479%0.79482%0.823SS**  trans165.496.1172.700000113.5
184S30.4Very low32.3Very low116 Ų116138.4 Ų138.481%0.81181%0.805SS**  trans-81-166.5176.8-51.10000112
185P39.4Very low34.2Very low128 Ų128134.5 Ų134.583%0.83179%0.785SS**  -129.7167.3-78.237.1-19.9000113.2
186G29.9Very low36.9Very low80 Ų80132.9 Ų132.983%0.82576%0.76SS**  trans121.6107.6150.900000116.7
187S30.6Very low39.8Very low120 Ų120127.8 Ų127.884%0.83974%0.741SS**  trans-159.3127.9145.8-175.70000110
188V35Very low43Very low143 Ų143117 Ų11787%0.86770%0.7SS**PPolyproline II helixtrans-70.9118.4-174.8-179.20000109.5K190V188-K190 PolarHBondContact O-N 3.38Å
189S36.2Very low46.2Very low110 Ų110116.7 Ų116.777%0.76968%0.677SS**PPolyproline II helixtrans-80116.8178.637.40000111.7
190K36.1Very low49.4Very low204 Ų204110.9 Ų110.989%0.88764%0.636SS**PPolyproline II helixtrans-55.9131.5161.5-79.4176.3174.1177.40109.6V188 K192V188-K190 PolarHBondContact O-N 3.38Å; K190-K192 PolarHBondContact O-N 3.04Å
191Q39.8Very low52.5Low195 Ų195106.6 Ų106.691%0.91160%0.604SS**PPolyproline II helixtrans-58.3126178.4-69.4167.1-26.500110.7
192K37.9Very low55.6Low195 Ų19595.6 Ų95.685%0.84856%0.563SS**PPolyproline II helixtrans-76.3136.8164.5-78.4-178.7175.8-1780108.6K190K190-K192 PolarHBondContact O-N 3.04Å
193P45.9Very low58.4Low109 Ų10987.7 Ų87.771%0.70853%0.528SS*.PPolyproline II helixtrans-63.6143.4172.826.2-31.8000110.4D195P193-D195 PolarHBondContact O-N 2.84Å
194C50.2Low61.4Low43 Ų4386.6 Ų86.629%0.29151%0.506SS..PPolyproline II helixtrans-77.1116.2-179.6-75.50000110.7L196 Y351C194-L196 VanDerWaalsContact C-N 3.28Å; C194-L196 PolarHBondContact O-N 3.49Å; C194-Y351 HydrophobicContact CB-CD1 4.1Å; C194-Y351 HydrophobicContact CB-CE1 3.78Å
195D65.1Low64.1Low104 Ų10485.9 Ų85.956%0.55649%0.49SS*.  trans-76.477.3171.9-70.3-26.5000110.2P193 P197 L247P193-D195 PolarHBondContact O-N 2.84Å; D195-P197 WeakPolarHBondContact O-CD 3.23Å; D195-L247 HydrophobicContact CB-CD1 4.17Å
196L81.8Confident66.6Low36 Ų3679.9 Ų79.919%0.18845%0.451CS..PPolyproline II helixtrans-75.8116.4169.9-172.272.1000109C194 I347 Y351C194-L196 VanDerWaalsContact C-N 3.28Å; C194-L196 PolarHBondContact O-N 3.49Å; L196-I347 HydrophobicContact CD2-CG2 3.46Å; L196-I347 VanDerWaalsContact CD2-CG2 3.46Å; L196-Y351 HydrophobicContact CD1-CD2 4.31Å; L196-Y351 HydrophobicContact CD1-CE2 4.48Å; L196-Y351 HydrophobicContact CD1-CG 4.4Å
197P89.1Confident69.4Low54 Ų5476.4 Ų76.435%0.35141%0.413SS..PPolyproline II helixtrans-70.3141.1-176.927.1-33.9000112.1D195 T245 I246 L247D195-P197 WeakPolarHBondContact O-CD 3.23Å; P197-T245 HydrophobicContact CB-CG2 3.79Å; P197-I246 WeakPolarHBondContact CA-O 3.23Å; P197-L247 HydrophobicContact CB-CD1 3.93Å
198L92.8Very high72.3Confident0 Ų073 Ų730%040%0.398CS..EExtended strand (participates in β ladder)trans-81.5130.1167.3170.565.9000109L200 T245 I246 T253 C257 I281 E340 M344L198-L200 HydrophobicContact CD1-CD2 3.9Å; L198-L200 HydrophobicContact CD2-CD2 3.95Å; L198-L200 HydrophobicContact CD2-CG 4.25Å; L198-L200 HydrophobicContact CG-CD2 3.92Å; L198-L200 HydrophobicContact CG-CG 4.19Å; L198-T245 CarbonylContact O-C 3.55Å; L198-T245 WeakPolarHBondContact O-CA 3.39Å; L198-I246 HydrophobicContact CB-CB 4.34Å; L198-I246 HydrophobicContact CD2-CD1 4.09Å; L198-I246 PolarHBondContact N-O 3.36Å; L198-I246 PolarHBondContact O-N 2.93Å; L198-T253 HydrophobicContact CB-CG2 3.38Å; L198-T253 HydrophobicContact CD2-CG2 3.48Å; L198-T253 VanDerWaalsContact CD2-CG2 3.48Å; L198-T253 HydrophobicContact CG-CG2 4.06Å; L198-C257 HydrophobicContact CD2-CB 4.02Å; L198-I281 HydrophobicContact CD1-CG1 4.33Å; L198-I281 HydrophobicContact CD1-CG2 3.74Å; L198-E340 HydrophobicContact CD2-CG 4.18Å; L198-E340 WeakPolarHBondContact CD2-OE1 3.33Å; L198-M344 HydrophobicContact CB-CE 4.22Å; L198-M344 HydrophobicContact CD1-CE 4.34Å; L198-M344 HydrophobicContact CD1-CG 3.89Å; L198-M344 HydrophobicContact CD1-SD 3.64Å
199R93.3Very high75Confident62 Ų6267.1 Ų67.123%0.23436%0.364CS..EExtended strand (participates in β ladder)trans-114121.2173.6-64.5-173.877.2-178.63.6109.5I244 T245 I281 L282 E324R199-I244 CarbonylContact C-O 3.56Å; R199-I244 WeakPolarHBondContact CA-O 3.25Å; R199-T245 HydrophobicContact CG-CG2 4.39Å; R199-I281 CarbonylContact O-C 3.52Å; R199-I281 WeakPolarHBondContact O-CA 3.17Å; R199-L282 HydrophobicContact CB-CB 3.87Å; R199-L282 HydrophobicContact CB-CD1 4.45Å; R199-L282 PolarHBondContact O-N 3.33Å; R199-E324 IonicContact CZ-OE1 2.89Å; R199-E324 IonicContact CZ-OE2 3.32Å; R199-E324 IonicContact NH1-OE1 3.88Å; R199-E324 PolarHBondContact NH1-OE1 2.96Å; R199-E324 IonicContact NH1-OE2 2.72Å; R199-E324 PolarHBondContact NH1-OE2 3.49Å
200L94.4Very high77.7Confident4 Ų461.9 Ų61.92%0.02133%0.327CS..EExtended strand (participates in β ladder)trans-104.4150.5176.3-58.4-178.3000110L198 V202 S243 I244 I246 I260 L279 K280 I281L198-L200 HydrophobicContact CD1-CD2 3.9Å; L198-L200 HydrophobicContact CD2-CD2 3.95Å; L198-L200 HydrophobicContact CD2-CG 4.25Å; L198-L200 HydrophobicContact CG-CD2 3.92Å; L198-L200 HydrophobicContact CG-CG 4.19Å; L200-V202 HydrophobicContact CB-CG2 4.38Å; L200-S243 CarbonylContact O-C 3.53Å; L200-S243 WeakPolarHBondContact O-CA 3.19Å; L200-I244 HydrophobicContact CB-CB 4.43Å; L200-I244 PolarHBondContact N-O 3.38Å; L200-I244 PolarHBondContact O-N 3.15Å; L200-I246 HydrophobicContact CD1-CD1 3.74Å; L200-I246 HydrophobicContact CG-CD1 4.31Å; L200-I260 HydrophobicContact CD1-CD1 4.35Å; L200-L279 HydrophobicContact CD2-CD1 3.71Å; L200-K280 CarbonylContact C-O 3.58Å; L200-K280 WeakPolarHBondContact CA-O 3.33Å; L200-I281 HydrophobicContact CD2-CG1 4.03Å
201L91.8Very high80.4Confident30 Ų3053 Ų5316%0.15729%0.29CS..EExtended strand (participates in β ladder)trans-118115175-168.1142.4000108.7E241 K280 L282L201-E241 HydrophobicContact CD2-CB 3.29Å; L201-E241 HydrophobicContact CD2-CG 3.75Å; L201-E241 WeakPolarHBondContact CD2-OE2 3.03Å; L201-E241 HydrophobicContact CG-CB 3.91Å; L201-K280 HydrophobicContact CB-CB 4.03Å; L201-K280 HydrophobicContact CD2-CD 3.79Å; L201-K280 PolarHBondContact N-O 3.04Å; L201-K280 WeakPolarHBondContact O-CB 3.48Å; L201-L282 HydrophobicContact CB-CD1 4.4Å; L201-L282 HydrophobicContact CB-CG 4.21Å; L201-L282 HydrophobicContact CD1-CD1 4.04Å; L201-L282 HydrophobicContact CD1-CD2 3.88Å; L201-L282 HydrophobicContact CD1-CG 4.16Å
202V92.2Very high82.7Confident3 Ų344.6 Ų44.62%0.01826%0.255CS..EExtended strand (participates in β ladder)trans-121.8131.4-167.5177.60000110.2L200 T204 F206 V207 I210 E241 K242 I244 M264L200-V202 HydrophobicContact CB-CG2 4.38Å; V202-T204 PolarHBondContact O-N 2.83Å; V202-F206 HydrophobicContact CG1-CB 4.14Å; V202-V207 HydrophobicContact CB-CG2 4.45Å; V202-V207 HydrophobicContact CG1-CG2 4.12Å; V202-I210 HydrophobicContact CG1-CD1 3.62Å; V202-I210 HydrophobicContact CG2-CD1 4.46Å; V202-E241 CarbonylContact O-C 3.47Å; V202-E241 WeakPolarHBondContact O-CA 3.49Å; V202-K242 PolarHBondContact N-O 3.39Å; V202-K242 PolarHBondContact O-N 3.5Å; V202-I244 HydrophobicContact CB-CD1 4.17Å; V202-I244 HydrophobicContact CG2-CD1 3.71Å; V202-I244 HydrophobicContact CG2-CG1 4.21Å; V202-M264 HydrophobicContact CG1-CE 3.95Å; V202-M264 HydrophobicContact CG1-CG 4.44Å; V202-M264 HydrophobicContact CG1-SD 3.79Å; V202-M264 HydrophobicContact CG2-CE 4.43Å; V202-M264 HydrophobicContact CG2-SD 4Å
203P89.7Confident85.2Confident29 Ų2944.6 Ų44.619%0.18826%0.255CS..EExtended strand (participates in β ladder)trans-55.7135.7175.3-25.333.3000112.5Q205 F206 A240P203-Q205 HydrophobicContact CB-CG 4.15Å; P203-Q205 PolarHBondContact O-N 3.25Å; P203-F206 HydrophobicContact CB-CD2 3.73Å; P203-F206 HydrophobicContact CB-CE2 4.01Å; P203-F206 HydrophobicContact CG-CD2 3.89Å; P203-F206 HydrophobicContact CG-CE2 4.01Å; P203-F206 PolarHBondContact O-N 3.41Å; P203-A240 CarbonylContact C-O 3.6Å; P203-A240 WeakPolarHBondContact CA-O 3.3Å
204T87.8Confident87.2Confident53 Ų5348.4 Ų48.433%0.32526%0.263SS..Hα-helixtrans-53.8-31.7-174.3-71.70000112.9V202 F206 V207 A239 A240 K242V202-T204 PolarHBondContact O-N 2.83Å; T204-F206 VanDerWaalsContact C-N 3.3Å; T204-F206 PolarHBondContact O-N 2.78Å; T204-V207 PolarHBondContact O-N 3.12Å; T204-A239 PolarHBondContact OG1-O 3.45Å; T204-A240 PolarHBondContact N-O 2.71Å; T204-A240 PolarHBondContact OG1-O 3.08Å; T204-K242 WeakPolarHBondContact OG1-CE 3.48Å; T204-K242 WeakPolarHBondContact OG1-CG 3.31Å
205Q87.3Confident89Confident101 Ų10147 Ų4747%0.47226%0.255SS..Hα-helixtrans-61.6-32178.167-167.132.300113.9P203P203-Q205 HydrophobicContact CB-CG 4.15Å; P203-Q205 PolarHBondContact O-N 3.25Å
206F90.8Very high90.3Very high2 Ų244.9 Ų44.91%0.00925%0.252CS..Hα-helixtrans-91.4-15.4-178.2-56.2-61.8000113.3V202 P203 T204 G208 A209 I210 M264 E267 A268 I271 F273 I277V202-F206 HydrophobicContact CG1-CB 4.14Å; P203-F206 HydrophobicContact CB-CD2 3.73Å; P203-F206 HydrophobicContact CB-CE2 4.01Å; P203-F206 HydrophobicContact CG-CD2 3.89Å; P203-F206 HydrophobicContact CG-CE2 4.01Å; P203-F206 PolarHBondContact O-N 3.41Å; T204-F206 VanDerWaalsContact C-N 3.3Å; T204-F206 PolarHBondContact O-N 2.78Å; F206-G208 PolarHBondContact O-N 3.05Å; F206-A209 PolarHBondContact O-N 2.84Å; F206-A209 VanDerWaalsContact O-N 3.15Å; F206-I210 HydrophobicContact CB-CD1 4.5Å; F206-I210 WeakPolarHBondContact O-CG1 3.41Å; F206-I210 PolarHBondContact O-N 2.62Å; F206-M264 HydrophobicContact CB-CG 3.97Å; F206-M264 HydrophobicContact CD2-CE 4.42Å; F206-M264 HydrophobicContact CG-CG 4.36Å; F206-E267 HydrophobicContact CD1-CB 4.03Å; F206-E267 HydrophobicContact CD1-CG 3.95Å; F206-E267 HydrophobicContact CE1-CG 4.5Å; F206-A268 HydrophobicContact CE1-CB 3.89Å; F206-A268 HydrophobicContact CZ-CB 4.16Å; F206-I271 HydrophobicContact CE1-CD1 4.07Å; F206-F273 HydrophobicContact CZ-CD1 4.15Å; F206-F273 HydrophobicContact CZ-CE1 4.34Å; F206-F273 HydrophobicContact CZ-CG 4.44Å; F206-I277 HydrophobicContact CE1-CD1 4.26Å; F206-I277 HydrophobicContact CE2-CD1 4.28Å; F206-I277 HydrophobicContact CE2-CG1 4.35Å; F206-I277 HydrophobicContact CZ-CD1 3.87Å; F206-I277 HydrophobicContact CZ-CG1 4.16Å
207V90.8Very high90.9Very high7 Ų745.4 Ų45.44%0.04226%0.257CS..Hα-helixtrans-60.1-36.4-176.51750000111.4V202 T204 A209 I210 I211 V231 K242V202-V207 HydrophobicContact CB-CG2 4.45Å; V202-V207 HydrophobicContact CG1-CG2 4.12Å; T204-V207 PolarHBondContact O-N 3.12Å; V207-A209 PolarHBondContact O-N 3.4Å; V207-I210 PolarHBondContact O-N 2.9Å; V207-I211 HydrophobicContact CG1-CD1 3.61Å; V207-I211 HydrophobicContact CG1-CG1 4.41Å; V207-I211 VanDerWaalsContact O-CD1 3.25Å; V207-I211 WeakPolarHBondContact O-CD1 3.32Å; V207-I211 VanDerWaalsContact O-CG1 3.25Å; V207-I211 WeakPolarHBondContact O-CG1 3.44Å; V207-I211 PolarHBondContact O-N 2.75Å; V207-I211 VanDerWaalsContact O-N 3.1Å; V207-V231 HydrophobicContact CG1-CG1 3.82Å; V207-K242 HydrophobicContact CG1-CD 4.47Å; V207-K242 HydrophobicContact CG2-CB 4.14Å; V207-K242 HydrophobicContact CG2-CD 4.29Å; V207-K242 HydrophobicContact CG2-CG 4.39Å
208G90.1Very high91.1Very high50 Ų5043.8 Ų43.852%0.51525%0.246SC..Hα-helixtrans-59.4-44.8176.600000113.2F206 I211 G212F206-G208 PolarHBondContact O-N 3.05Å; G208-I211 PolarHBondContact O-N 3.39Å; G208-G212 PolarHBondContact O-N 3.38Å
209A91.7Very high91.1Very high18 Ų1852.3 Ų52.315%0.14928%0.278CS..Hα-helixtrans-67.7-40.7179.300000112.6F206 V207 I211 G212 I263 E267F206-A209 PolarHBondContact O-N 2.84Å; F206-A209 VanDerWaalsContact O-N 3.15Å; V207-A209 PolarHBondContact O-N 3.4Å; A209-I211 VanDerWaalsContact C-N 3.33Å; A209-I211 PolarHBondContact O-N 3.25Å; A209-G212 PolarHBondContact O-N 3.01Å; A209-I263 HydrophobicContact CB-CG2 3.97Å; A209-E267 HydrophobicContact CB-CB 3.97Å; A209-E267 HydrophobicContact CB-CG 3.75Å; A209-E267 VanDerWaalsContact CB-OE2 3.24Å; A209-E267 WeakPolarHBondContact CB-OE2 3.26Å
210I93.3Very high91.2Very high1 Ų153.3 Ų53.31%0.00529%0.287CS..Hα-helixtrans-61.9-41.6177.3-64.8162.3000111.1V202 F206 V207 T217 I218 I244 I260 I263 M264V202-I210 HydrophobicContact CG1-CD1 3.62Å; V202-I210 HydrophobicContact CG2-CD1 4.46Å; F206-I210 HydrophobicContact CB-CD1 4.5Å; F206-I210 WeakPolarHBondContact O-CG1 3.41Å; F206-I210 PolarHBondContact O-N 2.62Å; V207-I210 PolarHBondContact O-N 2.9Å; I210-T217 WeakPolarHBondContact O-CB 3.41Å; I210-I218 HydrophobicContact CG2-CD1 4.41Å; I210-I218 PolarHBondContact O-N 3.04Å; I210-I244 HydrophobicContact CD1-CD1 4.07Å; I210-I244 HydrophobicContact CG2-CD1 4.28Å; I210-I260 HydrophobicContact CD1-CG2 3.86Å; I210-I260 HydrophobicContact CG1-CG2 4.24Å; I210-I260 HydrophobicContact CG2-CG1 4.22Å; I210-I260 HydrophobicContact CG2-CG2 4.48Å; I210-I263 HydrophobicContact CG1-CG2 4.11Å; I210-M264 HydrophobicContact CD1-CG 3.79Å; I210-M264 HydrophobicContact CD1-SD 4.04Å; I210-M264 HydrophobicContact CG1-CG 4.24Å
211I91.7Very high91.2Very high18 Ų1853.4 Ų53.49%0.09229%0.288CS..Hα-helixtrans-69.1-47175.6-63.1156.3000109.9V207 G208 A209 G215 T217 I218V207-I211 HydrophobicContact CG1-CD1 3.61Å; V207-I211 HydrophobicContact CG1-CG1 4.41Å; V207-I211 VanDerWaalsContact O-CD1 3.25Å; V207-I211 WeakPolarHBondContact O-CD1 3.32Å; V207-I211 VanDerWaalsContact O-CG1 3.25Å; V207-I211 WeakPolarHBondContact O-CG1 3.44Å; V207-I211 PolarHBondContact O-N 2.75Å; V207-I211 VanDerWaalsContact O-N 3.1Å; G208-I211 PolarHBondContact O-N 3.39Å; A209-I211 VanDerWaalsContact C-N 3.33Å; A209-I211 PolarHBondContact O-N 3.25Å; I211-G215 CarbonylContact O-C 3.14Å; I211-G215 WeakPolarHBondContact O-CA 3.17Å; I211-T217 PolarHBondContact O-N 3.38Å; I211-I218 HydrophobicContact CG2-CG2 4.34Å; I211-I218 PolarHBondContact O-N 3.17Å; I211-I218 VanDerWaalsContact O-N 3.15Å
212G90Very high91.2Very high17 Ų1754.3 Ų54.318%0.17530%0.295CS..  trans77.4170-174.200000113.5G208 A209 E214 G215 T217G208-G212 PolarHBondContact O-N 3.38Å; A209-G212 PolarHBondContact O-N 3.01Å; G212-E214 PolarHBondContact O-N 3.14Å; G212-G215 PolarHBondContact O-N 3.1Å; G212-T217 WeakPolarHBondContact CA-OG1 3.42Å
213K90.4Very high91.2Very high196 Ų19661.7 Ų61.785%0.85233%0.327SS*.G310 helixtrans-57.2125.8175-63.1-178.7-177.7179.40109.2G215 A216K213-G215 PolarHBondContact O-N 2.84Å; K213-A216 VanDerWaalsContact O-CB 3.28Å; K213-A216 WeakPolarHBondContact O-CB 3.4Å; K213-A216 PolarHBondContact O-N 2.61Å
214E86.9Confident91.3Very high189 Ų18966.8 Ų66.888%0.88335%0.348SS*.G310 helixtrans55.919.1-177-55.9179.6176.900115.2G212 A216G212-E214 PolarHBondContact O-N 3.14Å; E214-A216 VanDerWaalsContact C-N 3.32Å
215G88.4Confident91.5Very high12 Ų1265 Ų6512%0.12434%0.337CS..G310 helixtrans77.413-175.500000114.5I211 G212 K213 T217 I218 R219I211-G215 CarbonylContact O-C 3.14Å; I211-G215 WeakPolarHBondContact O-CA 3.17Å; G212-G215 PolarHBondContact O-N 3.1Å; K213-G215 PolarHBondContact O-N 2.84Å; G215-T217 PolarHBondContact O-N 2.87Å; G215-I218 WeakPolarHBondContact O-CG2 3.27Å; G215-R219 VanDerWaalsContact O-CB 3.29Å; G215-R219 WeakPolarHBondContact O-CB 3.43Å; G215-R219 WeakPolarHBondContact O-CG 3.34Å; G215-R219 PolarHBondContact O-N 2.9Å
216A92.7Very high91.6Very high60 Ų6067.9 Ų67.950%0.49635%0.35SS..Hα-helixtrans-60.2-42.8-175.700000113K213 E214 R219 N220K213-A216 VanDerWaalsContact O-CB 3.28Å; K213-A216 WeakPolarHBondContact O-CB 3.4Å; K213-A216 PolarHBondContact O-N 2.61Å; E214-A216 VanDerWaalsContact C-N 3.32Å; A216-R219 PolarHBondContact O-N 2.77Å; A216-N220 WeakPolarHBondContact O-CB 3.43Å; A216-N220 PolarHBondContact O-N 3.45Å
217T93.5Very high91.6Very high48 Ų4868 Ų6829%0.29435%0.351SS..Hα-helixtrans-64.6-52.5-178.5-52.70000110.8I210 I211 G212 G215 R219 N220 I221 I263I210-T217 WeakPolarHBondContact O-CB 3.41Å; I211-T217 PolarHBondContact O-N 3.38Å; G212-T217 WeakPolarHBondContact CA-OG1 3.42Å; G215-T217 PolarHBondContact O-N 2.87Å; T217-R219 VanDerWaalsContact C-N 3.3Å; T217-R219 PolarHBondContact O-N 2.95Å; T217-N220 WeakPolarHBondContact O-CB 3.39Å; T217-N220 PolarHBondContact O-N 3.49Å; T217-I221 HydrophobicContact CG2-CD1 4.38Å; T217-I221 WeakPolarHBondContact O-CG1 3.41Å; T217-I221 PolarHBondContact O-N 3.08Å; T217-I263 HydrophobicContact CG2-CD1 3.44Å; T217-I263 VanDerWaalsContact CG2-CD1 3.44Å; T217-I263 HydrophobicContact CG2-CG1 4.32Å
218I93.4Very high91.6Very high20 Ų2074.8 Ų74.810%0.10338%0.38CS..Hα-helixtrans-65.8-33.7-179.4-167.6147.6000112.5I210 I211 G215 N220 I221 T222 I229 V231I210-I218 HydrophobicContact CG2-CD1 4.41Å; I210-I218 PolarHBondContact O-N 3.04Å; I211-I218 HydrophobicContact CG2-CG2 4.34Å; I211-I218 PolarHBondContact O-N 3.17Å; I211-I218 VanDerWaalsContact O-N 3.15Å; G215-I218 WeakPolarHBondContact O-CG2 3.27Å; I218-N220 VanDerWaalsContact C-N 3.34Å; I218-I221 PolarHBondContact O-N 2.66Å; I218-T222 VanDerWaalsContact O-CB 3.3Å; I218-T222 WeakPolarHBondContact O-CB 3.39Å; I218-T222 PolarHBondContact O-N 3.08Å; I218-T222 PolarHBondContact O-OG1 3.37Å; I218-I229 HydrophobicContact CD1-CB 4.29Å; I218-I229 HydrophobicContact CD1-CG2 3.76Å; I218-I229 HydrophobicContact CG1-CB 4.33Å; I218-I229 HydrophobicContact CG1-CG2 4.28Å; I218-V231 HydrophobicContact CD1-CG2 3.53Å
219R93.1Very high91.7Very high179 Ų17973.6 Ų73.668%0.67536%0.362SS*.Hα-helixtrans-63.2-39.7171.8-77.9174170.7-178.3-2.2111.9G215 A216 T217 K223G215-R219 VanDerWaalsContact O-CB 3.29Å; G215-R219 WeakPolarHBondContact O-CB 3.43Å; G215-R219 WeakPolarHBondContact O-CG 3.34Å; G215-R219 PolarHBondContact O-N 2.9Å; A216-R219 PolarHBondContact O-N 2.77Å; T217-R219 VanDerWaalsContact C-N 3.3Å; T217-R219 PolarHBondContact O-N 2.95Å; R219-K223 WeakPolarHBondContact O-CB 3.33Å; R219-K223 PolarHBondContact O-N 3.25Å
220N94.6Very high91.5Very high82 Ų8277 Ų7744%0.43938%0.377SS..Hα-helixtrans-65.7-45.7176.7-170.934.5000111.6A216 T217 I218 K223 Q224A216-N220 WeakPolarHBondContact O-CB 3.43Å; A216-N220 PolarHBondContact O-N 3.45Å; T217-N220 WeakPolarHBondContact O-CB 3.39Å; T217-N220 PolarHBondContact O-N 3.49Å; I218-N220 VanDerWaalsContact C-N 3.34Å; N220-K223 PolarHBondContact O-N 3.35Å; N220-Q224 WeakPolarHBondContact O-CB 3.44Å; N220-Q224 WeakPolarHBondContact O-CG 3.45Å; N220-Q224 PolarHBondContact O-N 2.84Å
221I94.6Very high91.3Very high7 Ų777.6 Ų77.64%0.03638%0.381CS..Hα-helixtrans-58-53.1175.7-57.6167000109.6T217 I218 K223 Q224 T225 I229 A256 I260 I263T217-I221 HydrophobicContact CG2-CD1 4.38Å; T217-I221 WeakPolarHBondContact O-CG1 3.41Å; T217-I221 PolarHBondContact O-N 3.08Å; I218-I221 PolarHBondContact O-N 2.66Å; I221-K223 PolarHBondContact O-N 3.47Å; I221-Q224 PolarHBondContact O-N 2.84Å; I221-Q224 VanDerWaalsContact O-N 3.1Å; I221-T225 HydrophobicContact CG2-CG2 4.12Å; I221-T225 WeakPolarHBondContact O-CG2 3.45Å; I221-T225 PolarHBondContact O-N 3.3Å; I221-T225 PolarHBondContact O-OG1 3.38Å; I221-I229 HydrophobicContact CB-CD1 4.19Å; I221-I229 HydrophobicContact CG2-CD1 3.61Å; I221-A256 HydrophobicContact CG2-CB 4.19Å; I221-I260 HydrophobicContact CD1-CG1 4.16Å; I221-I263 HydrophobicContact CD1-CD1 3.49Å; I221-I263 VanDerWaalsContact CD1-CD1 3.49Å; I221-I263 HydrophobicContact CG1-CD1 4.28Å
222T91.7Very high90.9Very high48 Ų4879 Ų7929%0.29439%0.387SS..Hα-helixtrans-51.2-43.3177.5-58.60000111.5I218 Q226 S227I218-T222 VanDerWaalsContact O-CB 3.3Å; I218-T222 WeakPolarHBondContact O-CB 3.39Å; I218-T222 PolarHBondContact O-N 3.08Å; I218-T222 PolarHBondContact O-OG1 3.37Å; T222-Q226 WeakPolarHBondContact O-CA 3.31Å; T222-Q226 PolarHBondContact O-N 2.82Å; T222-Q226 VanDerWaalsContact O-N 3.07Å; T222-S227 WeakPolarHBondContact CA-O 3.38Å; T222-S227 WeakPolarHBondContact CG2-O 3.23Å; T222-S227 PolarHBondContact O-N 3.5Å
223K92.7Very high89.8Confident159 Ų15984.1 Ų84.169%0.69140%0.401SS*.Hα-helixtrans-70.4-43.6179.4-173.5179.5179.2-177.70112.6R219 N220 I221 Q226R219-K223 WeakPolarHBondContact O-CB 3.33Å; R219-K223 PolarHBondContact O-N 3.25Å; N220-K223 PolarHBondContact O-N 3.35Å; I221-K223 PolarHBondContact O-N 3.47Å; K223-Q226 PolarHBondContact O-NE2 3.36Å
224Q92.4Very high88.2Confident136 Ų13684.6 Ų84.664%0.63640%0.404SS*.Hα-helixtrans-70.6-39.4-178-73.5-176.4-11.200112.2N220 I221N220-Q224 WeakPolarHBondContact O-CB 3.44Å; N220-Q224 WeakPolarHBondContact O-CG 3.45Å; N220-Q224 PolarHBondContact O-N 2.84Å; I221-Q224 PolarHBondContact O-N 2.84Å; I221-Q224 VanDerWaalsContact O-N 3.1Å
225T91.5Very high86.5Confident15 Ų1581.8 Ų81.89%0.09239%0.39CS..Hα-helixtrans-93.7-5.6-175690000113.2I221 S227 A255 A256I221-T225 HydrophobicContact CG2-CG2 4.12Å; I221-T225 WeakPolarHBondContact O-CG2 3.45Å; I221-T225 PolarHBondContact O-N 3.3Å; I221-T225 PolarHBondContact O-OG1 3.38Å; T225-S227 WeakPolarHBondContact CB-OG 3.36Å; T225-S227 PolarHBondContact O-N 3Å; T225-S227 PolarHBondContact O-OG 3.09Å; T225-S227 WeakPolarHBondContact OG1-CB 3.43Å; T225-S227 PolarHBondContact OG1-N 2.79Å; T225-S227 PolarHBondContact OG1-OG 3.22Å; T225-A255 HydrophobicContact CG2-CB 3.91Å; T225-A256 HydrophobicContact CG2-CB 4.03Å
226Q90Very high84.8Confident161 Ų16185.8 Ų85.875%0.75241%0.409SS*.THydrogen-bonded Turntrans53.631.3-172.3-60.3-70.7-66.900112T222 K223T222-Q226 WeakPolarHBondContact O-CA 3.31Å; T222-Q226 PolarHBondContact O-N 2.82Å; T222-Q226 VanDerWaalsContact O-N 3.07Å; K223-Q226 PolarHBondContact O-NE2 3.36Å
227S90.1Very high82.8Confident4 Ų487.7 Ų87.73%0.02842%0.424CS..  trans-101.5144.2-177.8-50.90000111.6T222 T225 S248 G252T222-S227 WeakPolarHBondContact CA-O 3.38Å; T222-S227 WeakPolarHBondContact CG2-O 3.23Å; T222-S227 PolarHBondContact O-N 3.5Å; T225-S227 WeakPolarHBondContact CB-OG 3.36Å; T225-S227 PolarHBondContact O-N 3Å; T225-S227 PolarHBondContact O-OG 3.09Å; T225-S227 WeakPolarHBondContact OG1-CB 3.43Å; T225-S227 PolarHBondContact OG1-N 2.79Å; T225-S227 PolarHBondContact OG1-OG 3.22Å; S227-S248 WeakPolarHBondContact CB-OG 3.47Å; S227-S248 WeakPolarHBondContact OG-CB 3.27Å; S227-S248 PolarHBondContact OG-OG 3.28Å; S227-G252 PolarHBondContact OG-O 3.25Å
228K89.9Confident80.9Confident151 Ų15189.2 Ų89.266%0.65745%0.45SS*.EExtended strand (participates in β ladder)trans-89.5112.5165.8-176.7179.4-178.9-178.90108.9L247K228-L247 HydrophobicContact CB-CB 4.32Å; K228-L247 PolarHBondContact N-O 3.41Å; K228-L247 PolarHBondContact O-N 3.29Å
229I92.6Very high79.7Confident24 Ų2490 Ų9012%0.12346%0.459CS..EExtended strand (participates in β ladder)trans-111.4125-177.8-50.9175.9000109.4I218 I221 I244 T245 I246 A256I218-I229 HydrophobicContact CD1-CB 4.29Å; I218-I229 HydrophobicContact CD1-CG2 3.76Å; I218-I229 HydrophobicContact CG1-CB 4.33Å; I218-I229 HydrophobicContact CG1-CG2 4.28Å; I221-I229 HydrophobicContact CB-CD1 4.19Å; I221-I229 HydrophobicContact CG2-CD1 3.61Å; I229-I244 HydrophobicContact CG2-CG2 3.59Å; I229-T245 CarbonylContact C-O 3.56Å; I229-T245 WeakPolarHBondContact CA-O 3.5Å; I229-I246 HydrophobicContact CG1-CG1 4.39Å; I229-I246 HydrophobicContact CG1-CG2 4.43Å; I229-I246 HydrophobicContact CG2-CG1 4.27Å; I229-A256 HydrophobicContact CD1-CB 4.18Å
230D88.9Confident79Confident89 Ų8985.4 Ų85.448%0.47646%0.46SS..EExtended strand (participates in β ladder)trans-118.3137.3176.1-164.75.4000110.9H232 I244 T245D230-H232 IonicContact OD2-CE1 3.45Å; D230-I244 CarbonylContact O-C 3.44Å; D230-I244 WeakPolarHBondContact O-CA 3.29Å; D230-T245 PolarHBondContact N-O 2.69Å; D230-T245 PolarHBondContact O-N 2.93Å
231V89Confident78.5Confident15 Ų1584.5 Ų84.59%0.09145%0.453CS..EExtended strand (participates in β ladder)trans-116.3110.8-177.4-177.50000108.3V207 I218 R233 I244V207-V231 HydrophobicContact CG1-CG1 3.82Å; I218-V231 HydrophobicContact CD1-CG2 3.53Å; V231-R233 VanDerWaalsContact C-N 3.34Å; V231-R233 HydrophobicContact CB-CG 4.49Å; V231-R233 HydrophobicContact CG1-CG 3.87Å; V231-R233 PolarHBondContact O-N 3.04Å; V231-I244 HydrophobicContact CG1-CG1 4.36Å; V231-I244 HydrophobicContact CG2-CD1 4.48Å; V231-I244 HydrophobicContact CG2-CG1 4.33Å; V231-I244 HydrophobicContact CG2-CG2 4.36Å
232H82.3Confident78.1Confident46 Ų4686 Ų8621%0.21346%0.459CS..  trans-77.778.5-174.1-64-72000111.6D230 S243 T245D230-H232 IonicContact OD2-CE1 3.45Å; H232-S243 WeakPolarHBondContact CB-OG 3.43Å; H232-S243 PolarHBondContact CD2-O 3.13Å; H232-S243 PolarHBondContact CD2-OG 3.19Å; H232-S243 VanDerWaalsContact CD2-OG 3.3Å; H232-S243 PolarHBondContact N-O 3.5Å; H232-T245 PolarHBondContact NE2-OG1 3.29Å
233R67.1Low78Confident126 Ų12684.3 Ų84.348%0.47545%0.45SS..  trans-81.2-30.4-174.9-61.3-176.2-146.9-179.76.2114.6V231V231-R233 VanDerWaalsContact C-N 3.34Å; V231-R233 HydrophobicContact CB-CG 4.49Å; V231-R233 HydrophobicContact CG1-CG 3.87Å; V231-R233 PolarHBondContact O-N 3.04Å
234K58Low78Confident206 Ų20676.8 Ų76.890%0.89642%0.417SS*.SBendtrans-93-23.2-169.7-66-173.5178-178.30113.9N236K234-N236 PolarHBondContact O-N 3.41Å
235E51.3Low78.1Confident129 Ų12971.5 Ų71.560%0.60339%0.394SS*.THydrogen-bonded Turntrans-70.4-19.6-173.1-153.6172.7-167.500112.4
236N50.8Low78.2Confident97 Ų9770.8 Ų70.852%0.51939%0.39SS..THydrogen-bonded Turntrans-14972.1-179.5-71.1-53.8000112.5K234 G238 A239K234-N236 PolarHBondContact O-N 3.41Å; N236-G238 PolarHBondContact O-N 3.43Å; N236-G238 VanDerWaalsContact O-N 3.09Å; N236-A239 HydrophobicContact CB-CB 3.74Å; N236-A239 PolarHBondContact O-N 3.2Å
237A51.3Low78.2Confident99 Ų9966.3 Ų66.382%0.81837%0.37SS*.THydrogen-bonded Turntrans-65.6108.917500000110.4
238G54Low78.2Confident81 Ų8166.9 Ų66.984%0.83538%0.375SS*.THydrogen-bonded Turntrans107.8-3.3-179.600000115.7N236N236-G238 PolarHBondContact O-N 3.43Å; N236-G238 VanDerWaalsContact O-N 3.09Å
239A68.6Low78.2Confident36 Ų3663.4 Ų63.430%0.29837%0.366SS..  trans-67.4144.7174.900000112.3T204 N236 E241T204-A239 PolarHBondContact OG1-O 3.45Å; N236-A239 HydrophobicContact CB-CB 3.74Å; N236-A239 PolarHBondContact O-N 3.2Å; A239-E241 WeakPolarHBondContact CB-O 3.28Å; A239-E241 PolarHBondContact O-N 3.12Å
240A77.5Confident78Confident83 Ų8364.7 Ų64.769%0.68638%0.376SS*.SBendtrans-63.9-26.8176.200000112.3P203 T204P203-A240 CarbonylContact C-O 3.6Å; P203-A240 WeakPolarHBondContact CA-O 3.3Å; T204-A240 PolarHBondContact N-O 2.71Å; T204-A240 PolarHBondContact OG1-O 3.08Å
241E85Confident78.1Confident62 Ų6267 Ų6729%0.2938%0.384SS..EExtended strand (participates in β ladder)trans-134.3148-177.9-47-167106.300110.3L201 V202 A239 K280L201-E241 HydrophobicContact CD2-CB 3.29Å; L201-E241 HydrophobicContact CD2-CG 3.75Å; L201-E241 WeakPolarHBondContact CD2-OE2 3.03Å; L201-E241 HydrophobicContact CG-CB 3.91Å; V202-E241 CarbonylContact O-C 3.47Å; V202-E241 WeakPolarHBondContact O-CA 3.49Å; A239-E241 WeakPolarHBondContact CB-O 3.28Å; A239-E241 PolarHBondContact O-N 3.12Å; E241-K280 IonicContact OE1-NZ 2.62Å; E241-K280 PolarHBondContact OE1-NZ 3.05Å; E241-K280 IonicContact OE2-NZ 2.86Å; E241-K280 PolarHBondContact OE2-NZ 3.26Å
242K86.3Confident78.1Confident38 Ų3866.6 Ų66.617%0.16538%0.382CS..EExtended strand (participates in β ladder)trans-124.3145.4-180-60.3-166.4177.3-165.90110.6V202 T204 V207V202-K242 PolarHBondContact N-O 3.39Å; V202-K242 PolarHBondContact O-N 3.5Å; T204-K242 WeakPolarHBondContact OG1-CE 3.48Å; T204-K242 WeakPolarHBondContact OG1-CG 3.31Å; V207-K242 HydrophobicContact CG1-CD 4.47Å; V207-K242 HydrophobicContact CG2-CB 4.14Å; V207-K242 HydrophobicContact CG2-CD 4.29Å; V207-K242 HydrophobicContact CG2-CG 4.39Å
243S89.1Confident78.6Confident14 Ų1464.7 Ų64.710%0.09837%0.374CS..EExtended strand (participates in β ladder)trans-85.3140.5176.862.80000111.7L200 H232L200-S243 CarbonylContact O-C 3.53Å; L200-S243 WeakPolarHBondContact O-CA 3.19Å; H232-S243 WeakPolarHBondContact CB-OG 3.43Å; H232-S243 PolarHBondContact CD2-O 3.13Å; H232-S243 PolarHBondContact CD2-OG 3.19Å; H232-S243 VanDerWaalsContact CD2-OG 3.3Å; H232-S243 PolarHBondContact N-O 3.5Å
244I93.3Very high79.7Confident0 Ų059.5 Ų59.50%036%0.357CS..EExtended strand (participates in β ladder)trans-121.6125.3173.2-57.3-175.9000107.4R199 L200 V202 I210 I229 D230 V231 I246 I260R199-I244 CarbonylContact C-O 3.56Å; R199-I244 WeakPolarHBondContact CA-O 3.25Å; L200-I244 HydrophobicContact CB-CB 4.43Å; L200-I244 PolarHBondContact N-O 3.38Å; L200-I244 PolarHBondContact O-N 3.15Å; V202-I244 HydrophobicContact CB-CD1 4.17Å; V202-I244 HydrophobicContact CG2-CD1 3.71Å; V202-I244 HydrophobicContact CG2-CG1 4.21Å; I210-I244 HydrophobicContact CD1-CD1 4.07Å; I210-I244 HydrophobicContact CG2-CD1 4.28Å; I229-I244 HydrophobicContact CG2-CG2 3.59Å; D230-I244 CarbonylContact O-C 3.44Å; D230-I244 WeakPolarHBondContact O-CA 3.29Å; V231-I244 HydrophobicContact CG1-CG1 4.36Å; V231-I244 HydrophobicContact CG2-CD1 4.48Å; V231-I244 HydrophobicContact CG2-CG1 4.33Å; V231-I244 HydrophobicContact CG2-CG2 4.36Å; I244-I246 HydrophobicContact CG2-CG1 4.42Å; I244-I260 HydrophobicContact CG2-CD1 4.46Å
245T93Very high81.4Confident26 Ų2651.8 Ų51.816%0.1633%0.332CS..EExtended strand (participates in β ladder)trans-103.7128.2178.1-600000109.8P197 L198 R199 I229 D230 H232P197-T245 HydrophobicContact CB-CG2 3.79Å; L198-T245 CarbonylContact O-C 3.55Å; L198-T245 WeakPolarHBondContact O-CA 3.39Å; R199-T245 HydrophobicContact CG-CG2 4.39Å; I229-T245 CarbonylContact C-O 3.56Å; I229-T245 WeakPolarHBondContact CA-O 3.5Å; D230-T245 PolarHBondContact N-O 2.69Å; D230-T245 PolarHBondContact O-N 2.93Å; H232-T245 PolarHBondContact NE2-OG1 3.29Å
246I94Very high83.5Confident0 Ų045.6 Ų45.60%030%0.303CS..EExtended strand (participates in β ladder)trans-116.7123.8178.6-55.4171.6000108.1P197 L198 L200 I229 I244 T253 A256 I260P197-I246 WeakPolarHBondContact CA-O 3.23Å; L198-I246 HydrophobicContact CB-CB 4.34Å; L198-I246 HydrophobicContact CD2-CD1 4.09Å; L198-I246 PolarHBondContact N-O 3.36Å; L198-I246 PolarHBondContact O-N 2.93Å; L200-I246 HydrophobicContact CD1-CD1 3.74Å; L200-I246 HydrophobicContact CG-CD1 4.31Å; I229-I246 HydrophobicContact CG1-CG1 4.39Å; I229-I246 HydrophobicContact CG1-CG2 4.43Å; I229-I246 HydrophobicContact CG2-CG1 4.27Å; I244-I246 HydrophobicContact CG2-CG1 4.42Å; I246-T253 HydrophobicContact CB-CG2 4.48Å; I246-T253 HydrophobicContact CG2-CG2 4.1Å; I246-A256 HydrophobicContact CD1-CB 4.19Å; I246-A256 HydrophobicContact CG2-CB 3.94Å; I246-I260 HydrophobicContact CD1-CD1 3.71Å; I246-I260 HydrophobicContact CG1-CD1 4.44Å
247L90.1Very high85.6Confident66 Ų6641 Ų4135%0.34628%0.278SS..EExtended strand (participates in β ladder)trans-121.2112176.7-169.492.7000109.1D195 P197 K228D195-L247 HydrophobicContact CB-CD1 4.17Å; P197-L247 HydrophobicContact CB-CD1 3.93Å; K228-L247 HydrophobicContact CB-CB 4.32Å; K228-L247 PolarHBondContact N-O 3.41Å; K228-L247 PolarHBondContact O-N 3.29Å
248S89.3Confident87.7Confident17 Ų1739.8 Ų39.812%0.11926%0.255CS..SBendtrans-163.3179.4178.228.30000110.8S227 T253S227-S248 WeakPolarHBondContact CB-OG 3.47Å; S227-S248 WeakPolarHBondContact OG-CB 3.27Å; S227-S248 PolarHBondContact OG-OG 3.28Å; S248-T253 PolarHBondContact O-OG1 3.4Å; S248-T253 VanDerWaalsContact OG-CA 3.27Å; S248-T253 WeakPolarHBondContact OG-CA 3.08Å; S248-T253 PolarHBondContact OG-N 3.1Å; S248-T253 PolarHBondContact OG-OG1 3.05Å
249T90.5Very high89.6Confident78 Ų7837 Ų3748%0.47922%0.223SC..  trans-55.3161.2161.875.10000110.9E251 G252 T253T249-E251 VanDerWaalsContact C-N 3.25Å; T249-E251 WeakPolarHBondContact CB-OE2 3.12Å; T249-E251 PolarHBondContact O-N 2.75Å; T249-E251 PolarHBondContact OG1-OE2 2.9Å; T249-G252 PolarHBondContact O-N 3.06Å; T249-G252 PolarHBondContact OG1-N 3.05Å; T249-T253 WeakPolarHBondContact O-CB 3.42Å; T249-T253 PolarHBondContact O-N 3.4Å; T249-T253 PolarHBondContact O-OG1 3.34Å
250P88.5Confident90.9Very high51 Ų5135.4 Ų35.433%0.33121%0.209SC..Hα-helixtrans-53.7-44.2178.3-23.333.7000112T253 S254P250-T253 PolarHBondContact O-N 3.29Å; P250-S254 PolarHBondContact O-N 2.89Å; P250-S254 VanDerWaalsContact O-N 3.09Å; P250-S254 PolarHBondContact O-OG 3.47Å
251E90.2Very high91.7Very high137 Ų13731.6 Ų31.664%0.6418%0.177SC*.Hα-helixtrans-66.9-43.2-179.4-50.883-173.200111.8T249 T253 S254 A255T249-E251 VanDerWaalsContact C-N 3.25Å; T249-E251 WeakPolarHBondContact CB-OE2 3.12Å; T249-E251 PolarHBondContact O-N 2.75Å; T249-E251 PolarHBondContact OG1-OE2 2.9Å; E251-T253 VanDerWaalsContact C-N 3.27Å; E251-T253 PolarHBondContact O-N 2.78Å; E251-S254 PolarHBondContact O-N 3.48Å; E251-A255 WeakPolarHBondContact O-CB 3.3Å; E251-A255 PolarHBondContact O-N 2.93Å
252G90.9Very high92.1Very high6 Ų633.2 Ų33.26%0.06218%0.184CC..Hα-helixtrans-64.2-34.917700000112.3S227 T249 A256S227-G252 PolarHBondContact OG-O 3.25Å; T249-G252 PolarHBondContact O-N 3.06Å; T249-G252 PolarHBondContact OG1-N 3.05Å; G252-A256 VanDerWaalsContact O-CB 3.29Å; G252-A256 WeakPolarHBondContact O-CB 3.5Å; G252-A256 PolarHBondContact O-N 3.03Å
253T90.9Very high92.5Very high7 Ų733.1 Ų33.14%0.04319%0.185CC..Hα-helixtrans-68.6-46.8-179.6-56.50000111L198 I246 S248 T249 P250 E251 A256 C257L198-T253 HydrophobicContact CB-CG2 3.38Å; L198-T253 HydrophobicContact CD2-CG2 3.48Å; L198-T253 VanDerWaalsContact CD2-CG2 3.48Å; L198-T253 HydrophobicContact CG-CG2 4.06Å; I246-T253 HydrophobicContact CB-CG2 4.48Å; I246-T253 HydrophobicContact CG2-CG2 4.1Å; S248-T253 PolarHBondContact O-OG1 3.4Å; S248-T253 VanDerWaalsContact OG-CA 3.27Å; S248-T253 WeakPolarHBondContact OG-CA 3.08Å; S248-T253 PolarHBondContact OG-N 3.1Å; S248-T253 PolarHBondContact OG-OG1 3.05Å; T249-T253 WeakPolarHBondContact O-CB 3.42Å; T249-T253 PolarHBondContact O-N 3.4Å; T249-T253 PolarHBondContact O-OG1 3.34Å; P250-T253 PolarHBondContact O-N 3.29Å; E251-T253 VanDerWaalsContact C-N 3.27Å; E251-T253 PolarHBondContact O-N 2.78Å; T253-A256 PolarHBondContact O-N 3.29Å; T253-C257 WeakPolarHBondContact O-CB 3.09Å; T253-C257 PolarHBondContact O-N 2.93Å
254S91.9Very high92.7Very high16 Ų1632.7 Ų32.711%0.11218%0.182CC..Hα-helixtrans-66.9-38.1176.3-61.10000112.5P250 E251 C257 K258 E340P250-S254 PolarHBondContact O-N 2.89Å; P250-S254 VanDerWaalsContact O-N 3.09Å; P250-S254 PolarHBondContact O-OG 3.47Å; E251-S254 PolarHBondContact O-N 3.48Å; S254-C257 PolarHBondContact O-N 3.29Å; S254-K258 WeakPolarHBondContact O-CB 3.13Å; S254-K258 PolarHBondContact O-N 3.06Å; S254-E340 VanDerWaalsContact CA-OE2 3.23Å; S254-E340 WeakPolarHBondContact CA-OE2 3.29Å; S254-E340 VanDerWaalsContact CB-OE2 3.23Å; S254-E340 WeakPolarHBondContact CB-OE2 3.39Å; S254-E340 PolarHBondContact OG-OE2 3.32Å
255A93.4Very high92.6Very high44 Ų4435 Ų3536%0.36419%0.193SC..Hα-helixtrans-63.9-41.917400000112.4T225 E251 K258 S259T225-A255 HydrophobicContact CG2-CB 3.91Å; E251-A255 WeakPolarHBondContact O-CB 3.3Å; E251-A255 PolarHBondContact O-N 2.93Å; A255-K258 PolarHBondContact O-N 3.1Å; A255-S259 WeakPolarHBondContact O-CB 3.46Å; A255-S259 PolarHBondContact O-N 2.83Å; A255-S259 PolarHBondContact O-OG 3.2Å
256A94.4Very high92.5Very high0 Ų040.4 Ų40.40%021%0.214CC..Hα-helixtrans-65.8-43.4175.500000111.9I221 T225 I229 I246 G252 T253 K258 S259 I260I221-A256 HydrophobicContact CG2-CB 4.19Å; T225-A256 HydrophobicContact CG2-CB 4.03Å; I229-A256 HydrophobicContact CD1-CB 4.18Å; I246-A256 HydrophobicContact CD1-CB 4.19Å; I246-A256 HydrophobicContact CG2-CB 3.94Å; G252-A256 VanDerWaalsContact O-CB 3.29Å; G252-A256 WeakPolarHBondContact O-CB 3.5Å; G252-A256 PolarHBondContact O-N 3.03Å; T253-A256 PolarHBondContact O-N 3.29Å; A256-K258 PolarHBondContact O-N 3.25Å; A256-S259 PolarHBondContact O-N 2.89Å; A256-I260 VanDerWaalsContact O-CG1 3.3Å; A256-I260 WeakPolarHBondContact O-CG1 3.27Å; A256-I260 PolarHBondContact O-N 3.32Å
257C94.8Very high92.4Very high0 Ų043.3 Ų43.30%023%0.227CC..Hα-helixtrans-57.8-48174.7-174.50000111.4L198 T253 S254 S259 I260 L261 E340L198-C257 HydrophobicContact CD2-CB 4.02Å; T253-C257 WeakPolarHBondContact O-CB 3.09Å; T253-C257 PolarHBondContact O-N 2.93Å; S254-C257 PolarHBondContact O-N 3.29Å; C257-S259 PolarHBondContact O-N 3.06Å; C257-I260 PolarHBondContact O-N 3.1Å; C257-L261 WeakPolarHBondContact O-CG 3.35Å; C257-L261 PolarHBondContact O-N 2.72Å; C257-E340 HydrophobicContact CB-CG 4.4Å
258K95Very high92.4Very high74 Ų7440.5 Ų40.532%0.32221%0.214SC..Hα-helixtrans-57.1-48.4175.9-172.4-178.3-179.2-1760111.5S254 A255 A256 I260 L261 E262 V333 A337S254-K258 WeakPolarHBondContact O-CB 3.13Å; S254-K258 PolarHBondContact O-N 3.06Å; A255-K258 PolarHBondContact O-N 3.1Å; A256-K258 PolarHBondContact O-N 3.25Å; K258-I260 VanDerWaalsContact C-N 3.32Å; K258-I260 PolarHBondContact O-N 2.75Å; K258-L261 PolarHBondContact O-N 3.14Å; K258-E262 WeakPolarHBondContact CE-OE1 3.5Å; K258-E262 WeakPolarHBondContact O-CG 3.41Å; K258-E262 PolarHBondContact O-N 3.02Å; K258-V333 HydrophobicContact CG-CG1 4.06Å; K258-A337 HydrophobicContact CB-CB 4.21Å; K258-A337 HydrophobicContact CG-CB 4.34Å
259S95.6Very high92.4Very high23 Ų2346.8 Ų46.816%0.16124%0.241CC..Hα-helixtrans-62-40.2-178.6-56.60000111.9A255 A256 C257 E262 I263A255-S259 WeakPolarHBondContact O-CB 3.46Å; A255-S259 PolarHBondContact O-N 2.83Å; A255-S259 PolarHBondContact O-OG 3.2Å; A256-S259 PolarHBondContact O-N 2.89Å; C257-S259 PolarHBondContact O-N 3.06Å; S259-E262 PolarHBondContact O-N 2.95Å; S259-I263 WeakPolarHBondContact O-CD1 3.23Å; S259-I263 VanDerWaalsContact O-CG1 3.31Å; S259-I263 WeakPolarHBondContact O-CG1 3.38Å; S259-I263 PolarHBondContact O-N 3.43Å; S259-I263 VanDerWaalsContact O-N 3.16Å
260I95.2Very high92.3Very high1 Ų148.4 Ų48.41%0.00525%0.247CC..Hα-helixtrans-65.2-44.4176-70.8165.3000110.8L200 I210 I221 I244 I246 A256 C257 K258 E262 I263 M264L200-I260 HydrophobicContact CD1-CD1 4.35Å; I210-I260 HydrophobicContact CD1-CG2 3.86Å; I210-I260 HydrophobicContact CG1-CG2 4.24Å; I210-I260 HydrophobicContact CG2-CG1 4.22Å; I210-I260 HydrophobicContact CG2-CG2 4.48Å; I221-I260 HydrophobicContact CD1-CG1 4.16Å; I244-I260 HydrophobicContact CG2-CD1 4.46Å; I246-I260 HydrophobicContact CD1-CD1 3.71Å; I246-I260 HydrophobicContact CG1-CD1 4.44Å; A256-I260 VanDerWaalsContact O-CG1 3.3Å; A256-I260 WeakPolarHBondContact O-CG1 3.27Å; A256-I260 PolarHBondContact O-N 3.32Å; C257-I260 PolarHBondContact O-N 3.1Å; K258-I260 VanDerWaalsContact C-N 3.32Å; K258-I260 PolarHBondContact O-N 2.75Å; I260-E262 PolarHBondContact O-N 3.07Å; I260-I263 PolarHBondContact O-N 2.76Å; I260-M264 HydrophobicContact CG2-SD 3.82Å; I260-M264 VanDerWaalsContact O-CG 3.29Å; I260-M264 WeakPolarHBondContact O-CG 3.47Å; I260-M264 PolarHBondContact O-N 2.75Å
261L94.3Very high92.2Very high4 Ų450 Ų502%0.02125%0.252CS..Hα-helixtrans-62.7-39.8177.2-76.1170.9000112.7C257 K258 M264 H265 L279 V333 C336C257-L261 WeakPolarHBondContact O-CG 3.35Å; C257-L261 PolarHBondContact O-N 2.72Å; K258-L261 PolarHBondContact O-N 3.14Å; L261-M264 PolarHBondContact O-N 2.73Å; L261-H265 PolarHBondContact O-N 3.05Å; L261-H265 PolarHBondContact O-ND1 3.21Å; L261-L279 HydrophobicContact CD1-CB 4.26Å; L261-L279 HydrophobicContact CD1-CD1 4.14Å; L261-L279 HydrophobicContact CD1-CD2 4.24Å; L261-L279 HydrophobicContact CD1-CG 4.44Å; L261-L279 HydrophobicContact CD2-CB 4.02Å; L261-L279 HydrophobicContact CD2-CD1 4.13Å; L261-L279 HydrophobicContact CG-CD1 4.36Å; L261-V333 HydrophobicContact CB-CG1 4.11Å; L261-C336 HydrophobicContact CD1-CB 4.02Å
262E94Very high92.1Very high95 Ų9552.2 Ų52.244%0.44426%0.259SS..Hα-helixtrans-61.4-44.1175.6-72.1176.3179.500111.5K258 S259 I260 H265 K266 V333K258-E262 WeakPolarHBondContact CE-OE1 3.5Å; K258-E262 WeakPolarHBondContact O-CG 3.41Å; K258-E262 PolarHBondContact O-N 3.02Å; S259-E262 PolarHBondContact O-N 2.95Å; I260-E262 PolarHBondContact O-N 3.07Å; E262-H265 PolarHBondContact O-N 2.96Å; E262-K266 WeakPolarHBondContact O-CB 3.49Å; E262-K266 PolarHBondContact O-N 2.83Å; E262-V333 HydrophobicContact CG-CG1 3.73Å
263I94.2Very high91.7Very high36 Ų3655.1 Ų55.119%0.18527%0.27CS..Hα-helixtrans-63.9-42.7176.9-67.1159000110.8A209 I210 T217 I221 S259 I260 H265 K266 E267A209-I263 HydrophobicContact CB-CG2 3.97Å; I210-I263 HydrophobicContact CG1-CG2 4.11Å; T217-I263 HydrophobicContact CG2-CD1 3.44Å; T217-I263 VanDerWaalsContact CG2-CD1 3.44Å; T217-I263 HydrophobicContact CG2-CG1 4.32Å; I221-I263 HydrophobicContact CD1-CD1 3.49Å; I221-I263 VanDerWaalsContact CD1-CD1 3.49Å; I221-I263 HydrophobicContact CG1-CD1 4.28Å; S259-I263 WeakPolarHBondContact O-CD1 3.23Å; S259-I263 VanDerWaalsContact O-CG1 3.31Å; S259-I263 WeakPolarHBondContact O-CG1 3.38Å; S259-I263 PolarHBondContact O-N 3.43Å; S259-I263 VanDerWaalsContact O-N 3.16Å; I260-I263 PolarHBondContact O-N 2.76Å; I263-H265 PolarHBondContact O-N 3.1Å; I263-K266 PolarHBondContact O-N 3.08Å; I263-E267 WeakPolarHBondContact O-CB 3.26Å; I263-E267 PolarHBondContact O-N 2.73Å
264M93.1Very high91.1Very high5 Ų561.4 Ų61.43%0.02531%0.309CS..Hα-helixtrans-60.5-44.4176.8-71.1168.957.100111.7V202 F206 I210 I260 L261 A268 I277V202-M264 HydrophobicContact CG1-CE 3.95Å; V202-M264 HydrophobicContact CG1-CG 4.44Å; V202-M264 HydrophobicContact CG1-SD 3.79Å; V202-M264 HydrophobicContact CG2-CE 4.43Å; V202-M264 HydrophobicContact CG2-SD 4Å; F206-M264 HydrophobicContact CB-CG 3.97Å; F206-M264 HydrophobicContact CD2-CE 4.42Å; F206-M264 HydrophobicContact CG-CG 4.36Å; I210-M264 HydrophobicContact CD1-CG 3.79Å; I210-M264 HydrophobicContact CD1-SD 4.04Å; I210-M264 HydrophobicContact CG1-CG 4.24Å; I260-M264 HydrophobicContact CG2-SD 3.82Å; I260-M264 VanDerWaalsContact O-CG 3.29Å; I260-M264 WeakPolarHBondContact O-CG 3.47Å; I260-M264 PolarHBondContact O-N 2.75Å; L261-M264 PolarHBondContact O-N 2.73Å; M264-A268 WeakPolarHBondContact O-CB 3.42Å; M264-A268 PolarHBondContact O-N 3.18Å; M264-I277 HydrophobicContact CB-CD1 4.24Å; M264-I277 HydrophobicContact CB-CG2 4.44Å; M264-I277 HydrophobicContact CE-CG2 3.41Å; M264-I277 VanDerWaalsContact CE-CG2 3.41Å; M264-I277 WeakPolarHBondContact O-CD1 3.43Å
265H91.1Very high90.5Very high49 Ų4967.2 Ų67.223%0.22733%0.334CS..Hα-helixtrans-66.4-40.9177.9-80.975.9000112.5L261 E262 I263 A268 Q269L261-H265 PolarHBondContact O-N 3.05Å; L261-H265 PolarHBondContact O-ND1 3.21Å; E262-H265 PolarHBondContact O-N 2.96Å; I263-H265 PolarHBondContact O-N 3.1Å; H265-A268 PolarHBondContact O-N 3.21Å; H265-Q269 WeakPolarHBondContact O-CG 3.32Å; H265-Q269 PolarHBondContact O-N 3.28Å; H265-Q269 VanDerWaalsContact O-N 3.11Å
266K91.5Very high89.9Confident139 Ų13970.2 Ų70.260%0.60434%0.341SS*.Hα-helixtrans-63.8-47.5176.7-173.2178.3178.5179.80111.4E262 I263 A268 Q269 D270E262-K266 WeakPolarHBondContact O-CB 3.49Å; E262-K266 PolarHBondContact O-N 2.83Å; I263-K266 PolarHBondContact O-N 3.08Å; K266-A268 VanDerWaalsContact C-N 3.3Å; K266-A268 PolarHBondContact O-N 3.43Å; K266-Q269 WeakPolarHBondContact O-CB 3.4Å; K266-Q269 PolarHBondContact O-N 2.88Å; K266-Q269 VanDerWaalsContact O-N 3.15Å; K266-D270 PolarHBondContact O-N 3.23Å; K266-D270 VanDerWaalsContact O-N 3.14Å
267E91.9Very high89.6Confident62 Ų6270.5 Ų70.529%0.2934%0.342SS..Hα-helixtrans-60.2-42.1177.1-172.170.6-16900110.9F206 A209 I263 Q269 D270 I271F206-E267 HydrophobicContact CD1-CB 4.03Å; F206-E267 HydrophobicContact CD1-CG 3.95Å; F206-E267 HydrophobicContact CE1-CG 4.5Å; A209-E267 HydrophobicContact CB-CB 3.97Å; A209-E267 HydrophobicContact CB-CG 3.75Å; A209-E267 VanDerWaalsContact CB-OE2 3.24Å; A209-E267 WeakPolarHBondContact CB-OE2 3.26Å; I263-E267 WeakPolarHBondContact O-CB 3.26Å; I263-E267 PolarHBondContact O-N 2.73Å; E267-Q269 VanDerWaalsContact C-N 3.31Å; E267-Q269 PolarHBondContact O-N 3.33Å; E267-D270 PolarHBondContact O-N 3.06Å; E267-D270 VanDerWaalsContact O-N 3.12Å; E267-I271 WeakPolarHBondContact O-CG1 3.2Å; E267-I271 PolarHBondContact O-N 2.85Å
268A89.9Confident89.5Confident7 Ų771.9 Ų71.96%0.05835%0.352CS..Hα-helixtrans-59.6-37.3175.800000113.7F206 M264 H265 K266 K272 F273 I277F206-A268 HydrophobicContact CE1-CB 3.89Å; F206-A268 HydrophobicContact CZ-CB 4.16Å; M264-A268 WeakPolarHBondContact O-CB 3.42Å; M264-A268 PolarHBondContact O-N 3.18Å; H265-A268 PolarHBondContact O-N 3.21Å; K266-A268 VanDerWaalsContact C-N 3.3Å; K266-A268 PolarHBondContact O-N 3.43Å; A268-K272 PolarHBondContact O-N 3.27Å; A268-K272 VanDerWaalsContact O-N 3.13Å; A268-F273 HydrophobicContact CB-CB 3.95Å; A268-F273 HydrophobicContact CB-CD1 4.35Å; A268-F273 PolarHBondContact O-N 2.77Å; A268-I277 HydrophobicContact CB-CD1 3.31Å; A268-I277 HydrophobicContact CB-CG1 4.22Å
269Q88.7Confident89.5Confident148 Ų14868.6 Ų68.669%0.69234%0.337SS*.Hα-helixtrans-65.3-42.3173.9-70.3175.23.900111.3H265 K266 E267 I271 K272H265-Q269 WeakPolarHBondContact O-CG 3.32Å; H265-Q269 PolarHBondContact O-N 3.28Å; H265-Q269 VanDerWaalsContact O-N 3.11Å; K266-Q269 WeakPolarHBondContact O-CB 3.4Å; K266-Q269 PolarHBondContact O-N 2.88Å; K266-Q269 VanDerWaalsContact O-N 3.15Å; E267-Q269 VanDerWaalsContact C-N 3.31Å; E267-Q269 PolarHBondContact O-N 3.33Å; Q269-I271 PolarHBondContact O-N 3.06Å; Q269-K272 PolarHBondContact O-N 3.17Å; Q269-K272 VanDerWaalsContact O-N 3.16Å
270D88Confident89.4Confident113 Ų11369.5 Ų69.560%0.60434%0.338SS*.Hα-helixtrans-64.9-39.3-179.9-69.5-23.2000111.9K266 E267 K272K266-D270 PolarHBondContact O-N 3.23Å; K266-D270 VanDerWaalsContact O-N 3.14Å; E267-D270 PolarHBondContact O-N 3.06Å; E267-D270 VanDerWaalsContact O-N 3.12Å; D270-K272 VanDerWaalsContact C-N 3.3Å; D270-K272 PolarHBondContact O-N 3.08Å
271I87.8Confident89.4Confident85 Ų8569.5 Ų69.544%0.43634%0.338SS..THydrogen-bonded Turntrans-865.2176.266.2163.6000113.9F206 E267 Q269 F273F206-I271 HydrophobicContact CE1-CD1 4.07Å; E267-I271 WeakPolarHBondContact O-CG1 3.2Å; E267-I271 PolarHBondContact O-N 2.85Å; Q269-I271 PolarHBondContact O-N 3.06Å; I271-F273 HydrophobicContact CD1-CB 3.89Å; I271-F273 HydrophobicContact CD1-CD2 4.41Å; I271-F273 HydrophobicContact CD1-CG 4.42Å; I271-F273 HydrophobicContact CG1-CB 3.85Å; I271-F273 PolarHBondContact O-N 3.03Å
272K86.6Confident89.3Confident182 Ų18270.1 Ų70.179%0.79134%0.342SS*.THydrogen-bonded Turntrans51.738.3-175.4-58.5-179.6-178.5177.90113.4A268 Q269 D270 T274A268-K272 PolarHBondContact O-N 3.27Å; A268-K272 VanDerWaalsContact O-N 3.13Å; Q269-K272 PolarHBondContact O-N 3.17Å; Q269-K272 VanDerWaalsContact O-N 3.16Å; D270-K272 VanDerWaalsContact C-N 3.3Å; D270-K272 PolarHBondContact O-N 3.08Å; K272-T274 PolarHBondContact O-N 2.98Å
273F84.6Confident89.1Confident67 Ų6766 Ų6629%0.29432%0.324SS..  trans-70.3118.3175.3-169.2-105.5000109.2F206 A268 I271 E275 I277F206-F273 HydrophobicContact CZ-CD1 4.15Å; F206-F273 HydrophobicContact CZ-CE1 4.34Å; F206-F273 HydrophobicContact CZ-CG 4.44Å; A268-F273 HydrophobicContact CB-CB 3.95Å; A268-F273 HydrophobicContact CB-CD1 4.35Å; A268-F273 PolarHBondContact O-N 2.77Å; I271-F273 HydrophobicContact CD1-CB 3.89Å; I271-F273 HydrophobicContact CD1-CD2 4.41Å; I271-F273 HydrophobicContact CD1-CG 4.42Å; I271-F273 HydrophobicContact CG1-CB 3.85Å; I271-F273 PolarHBondContact O-N 3.03Å; F273-E275 HydrophobicContact CD1-CB 4.24Å; F273-E275 WeakPolarHBondContact CD1-O 3.43Å; F273-E275 HydrophobicContact CE1-CB 3.58Å; F273-E275 HydrophobicContact CE1-CG 4.48Å; F273-E275 WeakPolarHBondContact CE1-O 3.24Å; F273-E275 HydrophobicContact CZ-CB 3.87Å; F273-E275 HydrophobicContact CZ-CG 4.34Å; F273-I277 HydrophobicContact CD1-CG1 4.36Å; F273-I277 HydrophobicContact CE1-CG1 4.41Å
274T77Confident88.6Confident140 Ų14067.4 Ų67.486%0.85933%0.329SS*.  trans-87.4-10.9-171.447.20000114.1K272K272-T274 PolarHBondContact O-N 2.98Å
275E80.6Confident88.1Confident137 Ų13769.3 Ų69.364%0.6434%0.34SS*.SBendtrans-89.6144.3-179.3-59.6-176.3168.600111.7F273 I277F273-E275 HydrophobicContact CD1-CB 4.24Å; F273-E275 WeakPolarHBondContact CD1-O 3.43Å; F273-E275 HydrophobicContact CE1-CB 3.58Å; F273-E275 HydrophobicContact CE1-CG 4.48Å; F273-E275 WeakPolarHBondContact CE1-O 3.24Å; F273-E275 HydrophobicContact CZ-CB 3.87Å; F273-E275 HydrophobicContact CZ-CG 4.34Å; E275-I277 PolarHBondContact O-N 3.11Å
276E80.6Confident87.7Confident107 Ų10771.4 Ų71.450%0.535%0.352SS..  trans-63.4131.1172-172.2-171.417700109.8P278 G331E276-P278 WeakPolarHBondContact O-CD 3.34Å; E276-G331 PolarHBondContact OE1-N 3.09Å
277I88.3Confident87.5Confident6 Ų666.2 Ų66.23%0.03133%0.33CS..  trans-88.8109-179.9-56.6167.2000109.1F206 M264 A268 F273 E275F206-I277 HydrophobicContact CE1-CD1 4.26Å; F206-I277 HydrophobicContact CE2-CD1 4.28Å; F206-I277 HydrophobicContact CE2-CG1 4.35Å; F206-I277 HydrophobicContact CZ-CD1 3.87Å; F206-I277 HydrophobicContact CZ-CG1 4.16Å; M264-I277 HydrophobicContact CB-CD1 4.24Å; M264-I277 HydrophobicContact CB-CG2 4.44Å; M264-I277 HydrophobicContact CE-CG2 3.41Å; M264-I277 VanDerWaalsContact CE-CG2 3.41Å; M264-I277 WeakPolarHBondContact O-CD1 3.43Å; A268-I277 HydrophobicContact CB-CD1 3.31Å; A268-I277 HydrophobicContact CB-CG1 4.22Å; F273-I277 HydrophobicContact CD1-CG1 4.36Å; F273-I277 HydrophobicContact CE1-CG1 4.41Å; E275-I277 PolarHBondContact O-N 3.11Å
278P91.7Very high87.3Confident30 Ų3063.2 Ų63.220%0.19532%0.316CS..  trans-76.9150.8177.833.1-35.4000111.3E276 K280 T328 V329 K330E276-P278 WeakPolarHBondContact O-CD 3.34Å; P278-K280 HydrophobicContact CG-CG 4.4Å; P278-T328 HydrophobicContact CB-CG2 3.53Å; P278-T328 HydrophobicContact CG-CG2 4.04Å; P278-V329 WeakPolarHBondContact CA-O 3.15Å; P278-K330 HydrophobicContact CB-CG 4.09Å
279L94.8Very high87Confident4 Ų464.8 Ų64.82%0.02133%0.333CS..EExtended strand (participates in β ladder)trans-78.5120.5163.2168.664.5000108.9L200 L261 I281 T328 V329 C336 E340L200-L279 HydrophobicContact CD2-CD1 3.71Å; L261-L279 HydrophobicContact CD1-CB 4.26Å; L261-L279 HydrophobicContact CD1-CD1 4.14Å; L261-L279 HydrophobicContact CD1-CD2 4.24Å; L261-L279 HydrophobicContact CD1-CG 4.44Å; L261-L279 HydrophobicContact CD2-CB 4.02Å; L261-L279 HydrophobicContact CD2-CD1 4.13Å; L261-L279 HydrophobicContact CG-CD1 4.36Å; L279-I281 HydrophobicContact CD1-CG1 4.28Å; L279-I281 HydrophobicContact CD2-CD1 4.12Å; L279-I281 HydrophobicContact CD2-CG1 4.35Å; L279-I281 HydrophobicContact CG-CD1 4.4Å; L279-I281 HydrophobicContact CG-CG1 4.12Å; L279-T328 CarbonylContact O-C 3.38Å; L279-T328 WeakPolarHBondContact O-CA 3.26Å; L279-V329 HydrophobicContact CB-CB 4.18Å; L279-V329 HydrophobicContact CD2-CB 4.44Å; L279-V329 HydrophobicContact CD2-CG2 4.43Å; L279-V329 PolarHBondContact N-O 3.44Å; L279-V329 PolarHBondContact O-N 3.06Å; L279-C336 HydrophobicContact CB-CB 4.3Å; L279-C336 HydrophobicContact CD2-CB 4.21Å; L279-E340 HydrophobicContact CD2-CB 3.85Å; L279-E340 HydrophobicContact CD2-CG 4.42Å
280K94.6Very high86.8Confident43 Ų4361.7 Ų61.719%0.18732%0.315CS..EExtended strand (participates in β ladder)trans-112.2118175.9-67.9179.4174.7179.10110.8L200 L201 E241 P278 T326 I327 T328L200-K280 CarbonylContact C-O 3.58Å; L200-K280 WeakPolarHBondContact CA-O 3.33Å; L201-K280 HydrophobicContact CB-CB 4.03Å; L201-K280 HydrophobicContact CD2-CD 3.79Å; L201-K280 PolarHBondContact N-O 3.04Å; L201-K280 WeakPolarHBondContact O-CB 3.48Å; E241-K280 IonicContact OE1-NZ 2.62Å; E241-K280 PolarHBondContact OE1-NZ 3.05Å; E241-K280 IonicContact OE2-NZ 2.86Å; E241-K280 PolarHBondContact OE2-NZ 3.26Å; P278-K280 HydrophobicContact CG-CG 4.4Å; K280-T326 HydrophobicContact CB-CG2 3.83Å; K280-T326 HydrophobicContact CD-CG2 4.14Å; K280-T326 HydrophobicContact CG-CG2 4.02Å; K280-I327 CarbonylContact C-O 3.51Å; K280-I327 WeakPolarHBondContact CA-O 3.33Å; K280-T328 HydrophobicContact CG-CG2 4.16Å
281I95.3Very high86.9Confident0 Ų056.3 Ų56.30%029%0.286CS..EExtended strand (participates in β ladder)trans-107.7133.2178.8-57.1168.6000109L198 R199 L200 L279 T326 I327 E340 I343 M344L198-I281 HydrophobicContact CD1-CG1 4.33Å; L198-I281 HydrophobicContact CD1-CG2 3.74Å; R199-I281 CarbonylContact O-C 3.52Å; R199-I281 WeakPolarHBondContact O-CA 3.17Å; L200-I281 HydrophobicContact CD2-CG1 4.03Å; L279-I281 HydrophobicContact CD1-CG1 4.28Å; L279-I281 HydrophobicContact CD2-CD1 4.12Å; L279-I281 HydrophobicContact CD2-CG1 4.35Å; L279-I281 HydrophobicContact CG-CD1 4.4Å; L279-I281 HydrophobicContact CG-CG1 4.12Å; I281-T326 CarbonylContact O-C 3.58Å; I281-T326 WeakPolarHBondContact O-CA 3.44Å; I281-I327 HydrophobicContact CB-CB 4.34Å; I281-I327 PolarHBondContact N-O 3.27Å; I281-I327 PolarHBondContact O-N 3.19Å; I281-E340 HydrophobicContact CD1-CB 4.27Å; I281-E340 HydrophobicContact CD1-CG 4.02Å; I281-I343 HydrophobicContact CD1-CD1 4.2Å; I281-I343 HydrophobicContact CD1-CG2 4.28Å; I281-M344 HydrophobicContact CG2-SD 4.48Å
282L91.2Very high86.9Confident18 Ų1854.4 Ų54.49%0.09428%0.276CS..EExtended strand (participates in β ladder)trans-94.6126.4172.5-69.6172.9000110.1R199 L201 E324R199-L282 HydrophobicContact CB-CB 3.87Å; R199-L282 HydrophobicContact CB-CD1 4.45Å; R199-L282 PolarHBondContact O-N 3.33Å; L201-L282 HydrophobicContact CB-CD1 4.4Å; L201-L282 HydrophobicContact CB-CG 4.21Å; L201-L282 HydrophobicContact CD1-CD1 4.04Å; L201-L282 HydrophobicContact CD1-CD2 3.88Å; L201-L282 HydrophobicContact CD1-CG 4.16Å; L282-E324 HydrophobicContact CD2-CB 4.46Å
283A90.4Very high86.8Confident8 Ų846.9 Ų46.97%0.06625%0.251CS..EExtended strand (participates in β ladder)trans-143.2144.5176.800000111.5V288 E324 R325 I327 I347A283-V288 HydrophobicContact CB-CG2 3.64Å; A283-V288 WeakPolarHBondContact O-CG2 3.43Å; A283-E324 CarbonylContact O-C 3.59Å; A283-E324 WeakPolarHBondContact O-CA 3Å; A283-R325 PolarHBondContact N-O 3.44Å; A283-R325 PolarHBondContact O-N 2.89Å; A283-I327 HydrophobicContact CB-CD1 3.97Å; A283-I347 HydrophobicContact CB-CD1 3.82Å
284H84.3Confident86.8Confident65 Ų6553 Ų5330%0.30128%0.277SS..EExtended strand (participates in β ladder)trans-61142177.6-167-83.4000111.5N286 F287 V288 P323H284-N286 PolarHBondContact CE1-ND2 3.33Å; H284-N286 PolarHBondContact ND1-N 3.15Å; H284-N286 PolarHBondContact O-N 3.08Å; H284-N286 VanDerWaalsContact O-N 3.08Å; H284-F287 HydrophobicContact CB-CD2 3.68Å; H284-F287 HydrophobicContact CB-CE2 3.82Å; H284-F287 PolarHBondContact O-N 2.97Å; H284-V288 WeakPolarHBondContact O-CG2 3.48Å; H284-V288 PolarHBondContact O-N 3.5Å; H284-V288 VanDerWaalsContact O-N 3.17Å; H284-P323 WeakPolarHBondContact NE2-CB 3.4Å
285N82.3Confident87Confident45 Ų4555.2 Ų55.224%0.24128%0.278CS..Hα-helixtrans-50.2-39.6-176.9-17551.8000114.1F287 V288 G289 L318 P323 R325N285-F287 VanDerWaalsContact C-N 3.25Å; N285-F287 PolarHBondContact O-N 3.21Å; N285-V288 PolarHBondContact O-N 3.32Å; N285-G289 PolarHBondContact O-N 3.28Å; N285-L318 HydrophobicContact CB-CD2 3.65Å; N285-P323 PolarHBondContact N-O 3.06Å; N285-R325 WeakPolarHBondContact OD1-CD 3.29Å
286N81.3Confident87.2Confident93 Ų9349.4 Ų49.450%0.49725%0.254SS..Hα-helixtrans-59.3-32.5178.5-64.3-4.2000113.7H284 R290H284-N286 PolarHBondContact CE1-ND2 3.33Å; H284-N286 PolarHBondContact ND1-N 3.15Å; H284-N286 PolarHBondContact O-N 3.08Å; H284-N286 VanDerWaalsContact O-N 3.08Å; N286-R290 PolarHBondContact O-NE 3.27Å
287F88Confident87.6Confident30 Ų3053.7 Ų53.713%0.13227%0.266CS..Hα-helixtrans-84.9-38.4176.9-52.4-54.5000110.9H284 N285 G289 R290 L291 I347 Y351H284-F287 HydrophobicContact CB-CD2 3.68Å; H284-F287 HydrophobicContact CB-CE2 3.82Å; H284-F287 PolarHBondContact O-N 2.97Å; N285-F287 VanDerWaalsContact C-N 3.25Å; N285-F287 PolarHBondContact O-N 3.21Å; F287-G289 PolarHBondContact O-N 3.49Å; F287-R290 VanDerWaalsContact CD1-NH2 3.32Å; F287-R290 PolarHBondContact O-N 2.96Å; F287-L291 WeakPolarHBondContact O-CB 3.39Å; F287-L291 PolarHBondContact O-N 3.18Å; F287-I347 HydrophobicContact CB-CB 4.47Å; F287-I347 HydrophobicContact CB-CG1 4.2Å; F287-I347 HydrophobicContact CB-CG2 3.92Å; F287-I347 HydrophobicContact CD2-CG2 4.24Å; F287-I347 HydrophobicContact CG-CG2 4.03Å; F287-Y351 HydrophobicContact CE1-CD2 4.15Å; F287-Y351 AromaticContact CZ-CD2 3.8Å; F287-Y351 HydrophobicContact CZ-CD2 3.8Å
288V87Confident87.7Confident0 Ų055.2 Ų55.20%027%0.274CS..Hα-helixtrans-63.1-41.2179179.60000111.3A283 H284 N285 R290 L291 I292 I312 R325 I327A283-V288 HydrophobicContact CB-CG2 3.64Å; A283-V288 WeakPolarHBondContact O-CG2 3.43Å; H284-V288 WeakPolarHBondContact O-CG2 3.48Å; H284-V288 PolarHBondContact O-N 3.5Å; H284-V288 VanDerWaalsContact O-N 3.17Å; N285-V288 PolarHBondContact O-N 3.32Å; V288-R290 VanDerWaalsContact C-N 3.3Å; V288-R290 PolarHBondContact O-N 3.13Å; V288-L291 WeakPolarHBondContact O-CB 3.38Å; V288-L291 PolarHBondContact O-N 3.36Å; V288-I292 HydrophobicContact CG1-CD1 4.18Å; V288-I292 VanDerWaalsContact O-CG1 3.26Å; V288-I292 WeakPolarHBondContact O-CG1 3.35Å; V288-I292 PolarHBondContact O-N 3.45Å; V288-I312 HydrophobicContact CG1-CD1 3.98Å; V288-I312 HydrophobicContact CG1-CG2 3.58Å; V288-R325 HydrophobicContact CG1-CB 4.37Å; V288-R325 HydrophobicContact CG2-CB 4.12Å; V288-I327 HydrophobicContact CG2-CD1 4.16Å; V288-I327 HydrophobicContact CG2-CG1 4.36Å
289G84.1Confident87.7Confident40 Ų4054.8 Ų54.841%0.41227%0.27SS..Hα-helixtrans-59.7-38.9175.400000113.2N285 F287 G293N285-G289 PolarHBondContact O-N 3.28Å; F287-G289 PolarHBondContact O-N 3.49Å; G289-G293 PolarHBondContact O-N 2.92Å
290R85.1Confident87.6Confident83 Ų8361 Ų6131%0.31330%0.297SS..Hα-helixtrans-77.3-33.9176.6-76-179.1-75.2178.7-5.7113.1N286 F287 V288 I292 G293 S350 D354N286-R290 PolarHBondContact O-NE 3.27Å; F287-R290 VanDerWaalsContact CD1-NH2 3.32Å; F287-R290 PolarHBondContact O-N 2.96Å; V288-R290 VanDerWaalsContact C-N 3.3Å; V288-R290 PolarHBondContact O-N 3.13Å; R290-I292 VanDerWaalsContact C-N 3.31Å; R290-I292 PolarHBondContact O-N 3.08Å; R290-G293 PolarHBondContact O-N 3.21Å; R290-S350 VanDerWaalsContact CZ-CB 3.48Å; R290-S350 PolarHBondContact NH1-O 2.9Å; R290-D354 IonicContact CZ-OD1 2.67Å; R290-D354 VanDerWaalsContact CZ-OD1 3.29Å; R290-D354 IonicContact CZ-OD2 3.62Å; R290-D354 IonicContact NH1-OD1 2.73Å; R290-D354 PolarHBondContact NH1-OD1 3.47Å; R290-D354 IonicContact NH1-OD2 3.23Å; R290-D354 VanDerWaalsContact NH2-CG 3.29Å; R290-D354 IonicContact NH2-OD1 2.8Å; R290-D354 PolarHBondContact NH2-OD1 3.2Å; R290-D354 IonicContact NH2-OD2 3.29Å; R290-D354 PolarHBondContact NH2-OD2 2.88Å
291L89.7Confident87.5Confident0 Ų064.5 Ų64.50%031%0.312CS..Hα-helixtrans-57.6-45.4170.5177.770.8000110.6F287 V288 G293 N298 L299 I302 I327 I343 K346F287-L291 WeakPolarHBondContact O-CB 3.39Å; F287-L291 PolarHBondContact O-N 3.18Å; V288-L291 WeakPolarHBondContact O-CB 3.38Å; V288-L291 PolarHBondContact O-N 3.36Å; L291-G293 PolarHBondContact O-N 3.37Å; L291-N298 WeakPolarHBondContact O-CB 3.41Å; L291-N298 PolarHBondContact O-ND2 3.11Å; L291-L299 PolarHBondContact O-N 3.03Å; L291-I302 HydrophobicContact CD1-CD1 3.68Å; L291-I327 HydrophobicContact CD2-CD1 3.58Å; L291-I327 HydrophobicContact CD2-CG1 4.42Å; L291-I343 HydrophobicContact CD1-CB 4.46Å; L291-I343 HydrophobicContact CD1-CG1 4.37Å; L291-I343 HydrophobicContact CD1-CG2 4.32Å; L291-I343 HydrophobicContact CD2-CG1 4.48Å; L291-I343 HydrophobicContact CD2-CG2 3.89Å; L291-K346 HydrophobicContact CD1-CB 3.75Å; L291-K346 HydrophobicContact CD1-CG 4.1Å
292I88.4Confident87.5Confident44 Ų4464.8 Ų64.823%0.22631%0.314CS..Hα-helixtrans-58.8-48.2176.2-65.8163.5000110.9V288 R290 G296 N298 L299 I312V288-I292 HydrophobicContact CG1-CD1 4.18Å; V288-I292 VanDerWaalsContact O-CG1 3.26Å; V288-I292 WeakPolarHBondContact O-CG1 3.35Å; V288-I292 PolarHBondContact O-N 3.45Å; R290-I292 VanDerWaalsContact C-N 3.31Å; R290-I292 PolarHBondContact O-N 3.08Å; I292-G296 CarbonylContact O-C 3.52Å; I292-G296 VanDerWaalsContact O-C 3.23Å; I292-G296 VanDerWaalsContact O-CA 3.24Å; I292-G296 WeakPolarHBondContact O-CA 3.37Å; I292-N298 PolarHBondContact O-N 3.38Å; I292-L299 PolarHBondContact O-N 3.47Å; I292-I312 HydrophobicContact CD1-CD1 3.66Å; I292-I312 HydrophobicContact CG1-CD1 3.35Å
293G83.6Confident87.6Confident25 Ų2566.3 Ų66.326%0.25832%0.32SS..  trans73.4174.7-177.200000113.2G289 R290 L291 E295 G296G289-G293 PolarHBondContact O-N 2.92Å; R290-G293 PolarHBondContact O-N 3.21Å; L291-G293 PolarHBondContact O-N 3.37Å; G293-E295 PolarHBondContact O-N 3.09Å; G293-G296 PolarHBondContact O-N 2.91Å; G293-G296 VanDerWaalsContact O-N 3.11Å
294K83.8Confident87.7Confident196 Ų19673.4 Ų73.485%0.85235%0.352SS*.G310 helixtrans-59.4126.3179.9-64.4-179.5-179177.40109.9G296 R297K294-G296 PolarHBondContact O-N 3.46Å; K294-G296 VanDerWaalsContact O-N 3.12Å; K294-R297 WeakPolarHBondContact O-CB 3.35Å; K294-R297 PolarHBondContact O-N 3.17Å; K294-R297 VanDerWaalsContact O-N 3.09Å
295E83Confident88.2Confident186 Ų18675.3 Ų75.387%0.86936%0.364SS*.G310 helixtrans56.721.4-177.9-55.9178.5164.500114.7G293 R297G293-E295 PolarHBondContact O-N 3.09Å; E295-R297 PolarHBondContact O-N 3.1Å
296G84.2Confident88.7Confident14 Ų1473.6 Ų73.614%0.14436%0.356CS..G310 helixtrans71.911-176.700000114.4I292 G293 K294 N298 L299 K300I292-G296 CarbonylContact O-C 3.52Å; I292-G296 VanDerWaalsContact O-C 3.23Å; I292-G296 VanDerWaalsContact O-CA 3.24Å; I292-G296 WeakPolarHBondContact O-CA 3.37Å; G293-G296 PolarHBondContact O-N 2.91Å; G293-G296 VanDerWaalsContact O-N 3.11Å; K294-G296 PolarHBondContact O-N 3.46Å; K294-G296 VanDerWaalsContact O-N 3.12Å; G296-N298 VanDerWaalsContact C-N 3.27Å; G296-N298 PolarHBondContact O-N 3.07Å; G296-L299 PolarHBondContact O-N 3.09Å; G296-K300 WeakPolarHBondContact O-CB 3.29Å; G296-K300 WeakPolarHBondContact O-CG 3.37Å; G296-K300 PolarHBondContact O-N 3.22Å
297R88.8Confident89.3Confident198 Ų19875.9 Ų75.975%0.74737%0.368SS*.Hα-helixtrans-57.3-39.3-176179.1-178.4-89-173.4-5.3112.6K294 E295 K301K294-R297 WeakPolarHBondContact O-CB 3.35Å; K294-R297 PolarHBondContact O-N 3.17Å; K294-R297 VanDerWaalsContact O-N 3.09Å; E295-R297 PolarHBondContact O-N 3.1Å; R297-K301 WeakPolarHBondContact O-CB 3.32Å; R297-K301 PolarHBondContact O-N 2.93Å; R297-K301 VanDerWaalsContact O-N 3.08Å
298N89.9Confident89.6Confident38 Ų3875 Ų7520%0.20337%0.365CS..Hα-helixtrans-74.1-40.7-175.8-167.452.8000111.1L291 I292 G296 K301 I302 K346L291-N298 WeakPolarHBondContact O-CB 3.41Å; L291-N298 PolarHBondContact O-ND2 3.11Å; I292-N298 PolarHBondContact O-N 3.38Å; G296-N298 VanDerWaalsContact C-N 3.27Å; G296-N298 PolarHBondContact O-N 3.07Å; N298-K301 PolarHBondContact O-N 2.93Å; N298-I302 WeakPolarHBondContact O-CG1 3.3Å; N298-I302 PolarHBondContact O-N 3.24Å; N298-I302 VanDerWaalsContact O-N 3.15Å; N298-K346 WeakPolarHBondContact ND2-CE 3.28Å; N298-K346 WeakPolarHBondContact ND2-CG 3.42Å
299L92.3Very high89.9Confident21 Ų2181.8 Ų81.811%0.1139%0.394CS..Hα-helixtrans-60.9-48.2172.2-167.670.7000111.9L291 I292 G296 K301 I302 E303 I310 I312L291-L299 PolarHBondContact O-N 3.03Å; I292-L299 PolarHBondContact O-N 3.47Å; G296-L299 PolarHBondContact O-N 3.09Å; L299-K301 PolarHBondContact O-N 3.08Å; L299-I302 PolarHBondContact O-N 3.17Å; L299-E303 WeakPolarHBondContact O-CG 3.26Å; L299-E303 PolarHBondContact O-N 2.89Å; L299-I310 HydrophobicContact CD1-CB 4.25Å; L299-I310 HydrophobicContact CD1-CD1 4.45Å; L299-I310 HydrophobicContact CD1-CG2 3.79Å; L299-I312 HydrophobicContact CD1-CD1 4.08Å; L299-I312 HydrophobicContact CD2-CD1 3.83Å; L299-I312 HydrophobicContact CD2-CG1 4.45Å
300K92Very high90.4Very high133 Ų13380.2 Ų80.258%0.57838%0.377SS*.Hα-helixtrans-58.6-35.6178.4-74.2175.6178.3174.90112.6G296 Q304G296-K300 WeakPolarHBondContact O-CB 3.29Å; G296-K300 WeakPolarHBondContact O-CG 3.37Å; G296-K300 PolarHBondContact O-N 3.22Å; K300-Q304 WeakPolarHBondContact O-CB 3.37Å; K300-Q304 PolarHBondContact O-N 2.77Å
301K93.4Very high90.7Very high117 Ų11779.2 Ų79.251%0.50938%0.38SS..Hα-helixtrans-65.6-45.9175.2-173.3-175.5175.5-165.50111.1R297 N298 L299 Q304 D305R297-K301 WeakPolarHBondContact O-CB 3.32Å; R297-K301 PolarHBondContact O-N 2.93Å; R297-K301 VanDerWaalsContact O-N 3.08Å; N298-K301 PolarHBondContact O-N 2.93Å; L299-K301 PolarHBondContact O-N 3.08Å; K301-Q304 PolarHBondContact O-N 3.06Å; K301-D305 VanDerWaalsContact CE-OD2 3.26Å; K301-D305 WeakPolarHBondContact CE-OD2 3.39Å; K301-D305 WeakPolarHBondContact CG-OD2 3.49Å; K301-D305 WeakPolarHBondContact O-CB 3.26Å; K301-D305 VanDerWaalsContact O-CG 3.24Å; K301-D305 PolarHBondContact O-N 2.91Å
302I93.9Very high90.7Very high7 Ų780.8 Ų80.84%0.03639%0.388CS..Hα-helixtrans-63.3-43.8177.8-61.8167000110.4L291 N298 L299 Q304 D305 T306 I310 E342 I343L291-I302 HydrophobicContact CD1-CD1 3.68Å; N298-I302 WeakPolarHBondContact O-CG1 3.3Å; N298-I302 PolarHBondContact O-N 3.24Å; N298-I302 VanDerWaalsContact O-N 3.15Å; L299-I302 PolarHBondContact O-N 3.17Å; I302-Q304 VanDerWaalsContact C-N 3.31Å; I302-Q304 PolarHBondContact O-N 2.95Å; I302-D305 PolarHBondContact O-N 2.89Å; I302-T306 HydrophobicContact CG2-CG2 4.22Å; I302-T306 WeakPolarHBondContact O-CB 3.25Å; I302-T306 WeakPolarHBondContact O-CG2 3.38Å; I302-T306 PolarHBondContact O-N 2.86Å; I302-T306 PolarHBondContact O-OG1 3.05Å; I302-I310 HydrophobicContact CB-CD1 4.39Å; I302-I310 HydrophobicContact CG2-CD1 3.82Å; I302-E342 HydrophobicContact CG2-CB 4.08Å; I302-I343 HydrophobicContact CG2-CG1 4.38Å
303E93.2Very high90.6Very high49 Ų4979.3 Ų79.323%0.22938%0.381CS..Hα-helixtrans-55.6-45.5174.1-72.6-175.2128.800111.8L299 D307 T308 I310L299-E303 WeakPolarHBondContact O-CG 3.26Å; L299-E303 PolarHBondContact O-N 2.89Å; E303-D307 WeakPolarHBondContact O-CA 3.43Å; E303-D307 PolarHBondContact O-N 3.31Å; E303-T308 WeakPolarHBondContact CB-O 3.48Å; E303-T308 PolarHBondContact O-N 3.42Å; E303-T308 VanDerWaalsContact O-N 3.14Å; E303-I310 HydrophobicContact CG-CB 3.79Å; E303-I310 HydrophobicContact CG-CD1 3.76Å; E303-I310 HydrophobicContact CG-CG1 3.75Å; E303-I310 WeakPolarHBondContact OE1-CA 3.49Å; E303-I310 PolarHBondContact OE1-N 3.29Å; E303-I310 VanDerWaalsContact OE1-O 3.04Å
304Q93.4Very high90.2Very high157 Ų15780.8 Ų80.873%0.73439%0.386SS*.Hα-helixtrans-68.2-45.1179.1-176.6176.413.300113.1K300 K301 I302 T306K300-Q304 WeakPolarHBondContact O-CB 3.37Å; K300-Q304 PolarHBondContact O-N 2.77Å; K301-Q304 PolarHBondContact O-N 3.06Å; I302-Q304 VanDerWaalsContact C-N 3.31Å; I302-Q304 PolarHBondContact O-N 2.95Å; Q304-T306 VanDerWaalsContact C-N 3.26Å; Q304-T306 PolarHBondContact O-N 2.96Å
305D93.8Very high89.4Confident105 Ų10574.4 Ų74.456%0.56136%0.362SS*.Hα-helixtrans-70.4-26.3-176.1-70.8-12.9000111.9K301 I302K301-D305 VanDerWaalsContact CE-OD2 3.26Å; K301-D305 WeakPolarHBondContact CE-OD2 3.39Å; K301-D305 WeakPolarHBondContact CG-OD2 3.49Å; K301-D305 WeakPolarHBondContact O-CB 3.26Å; K301-D305 VanDerWaalsContact O-CG 3.24Å; K301-D305 PolarHBondContact O-N 2.91Å; I302-D305 PolarHBondContact O-N 2.89Å
306T93.4Very high88.1Confident9 Ų971.8 Ų71.86%0.05535%0.349CS..Hα-helixtrans-104.3-7-175.962.80000113.5I302 Q304 T308 T335 K338 A339I302-T306 HydrophobicContact CG2-CG2 4.22Å; I302-T306 WeakPolarHBondContact O-CB 3.25Å; I302-T306 WeakPolarHBondContact O-CG2 3.38Å; I302-T306 PolarHBondContact O-N 2.86Å; I302-T306 PolarHBondContact O-OG1 3.05Å; Q304-T306 VanDerWaalsContact C-N 3.26Å; Q304-T306 PolarHBondContact O-N 2.96Å; T306-T308 VanDerWaalsContact C-N 3.29Å; T306-T308 PolarHBondContact O-N 3.14Å; T306-T308 PolarHBondContact OG1-OG1 3.06Å; T306-T335 WeakPolarHBondContact O-CB 3.35Å; T306-K338 HydrophobicContact CG2-CB 4.36Å; T306-A339 HydrophobicContact CG2-CB 4.06Å
307D93.9Very high86.8Confident141 Ų14176.9 Ų76.975%0.75437%0.369SS*.THydrogen-bonded Turntrans51.747.9-172.7-160.427000111.8E303E303-D307 WeakPolarHBondContact O-CA 3.43Å; E303-D307 PolarHBondContact O-N 3.31Å
308T93.7Very high85Confident13 Ų1369.3 Ų69.38%0.0834%0.344CS..  trans-125.2159.1179.362.50000111.9E303 T306 V329 T335 A339E303-T308 WeakPolarHBondContact CB-O 3.48Å; E303-T308 PolarHBondContact O-N 3.42Å; E303-T308 VanDerWaalsContact O-N 3.14Å; T306-T308 VanDerWaalsContact C-N 3.29Å; T306-T308 PolarHBondContact O-N 3.14Å; T306-T308 PolarHBondContact OG1-OG1 3.06Å; T308-V329 HydrophobicContact CG2-CG1 3.98Å; T308-T335 WeakPolarHBondContact CG2-O 3.33Å; T308-A339 HydrophobicContact CG2-CB 3.95Å
309K93.8Very high83Confident141 Ų14170.6 Ų70.661%0.61335%0.353SS*.EExtended strand (participates in β ladder)trans-104.9116.3171.3-175.2172.6-175.51730109.7K330K309-K330 HydrophobicContact CB-CB 4.38Å; K309-K330 PolarHBondContact N-O 2.89Å; K309-K330 PolarHBondContact O-N 3.21Å
310I94.6Very high80.3Confident7 Ų774.5 Ų74.54%0.03637%0.373CS..EExtended strand (participates in β ladder)trans-111.9123.2-174.7-55170.1000109.4L299 I302 E303 I327 T328 V329 I343L299-I310 HydrophobicContact CD1-CB 4.25Å; L299-I310 HydrophobicContact CD1-CD1 4.45Å; L299-I310 HydrophobicContact CD1-CG2 3.79Å; I302-I310 HydrophobicContact CB-CD1 4.39Å; I302-I310 HydrophobicContact CG2-CD1 3.82Å; E303-I310 HydrophobicContact CG-CB 3.79Å; E303-I310 HydrophobicContact CG-CD1 3.76Å; E303-I310 HydrophobicContact CG-CG1 3.75Å; E303-I310 WeakPolarHBondContact OE1-CA 3.49Å; E303-I310 PolarHBondContact OE1-N 3.29Å; E303-I310 VanDerWaalsContact OE1-O 3.04Å; I310-I327 HydrophobicContact CG2-CG2 3.62Å; I310-T328 CarbonylContact C-O 3.6Å; I310-T328 WeakPolarHBondContact CA-O 3.19Å; I310-V329 HydrophobicContact CG1-CG1 4.19Å; I310-V329 HydrophobicContact CG1-CG2 4.2Å; I310-V329 HydrophobicContact CG2-CG2 4.41Å; I310-I343 HydrophobicContact CD1-CD1 4.19Å
311T91.3Very high77.9Confident62 Ų6278.1 Ų78.138%0.3839%0.385SS..EExtended strand (participates in β ladder)trans-122.1135.6178.351.80000109.6T328T311-T328 PolarHBondContact N-O 3.2Å; T311-T328 PolarHBondContact O-N 3.1Å; T311-T328 WeakPolarHBondContact OG1-CB 3.46Å; T311-T328 PolarHBondContact OG1-O 3.41Å
312I90.5Very high76.2Confident33 Ų3376 Ų7617%0.16938%0.379CS..EExtended strand (participates in β ladder)trans-111.2128.3-178.6-60.5171.4000107.7V288 I292 L299 R325 I327V288-I312 HydrophobicContact CG1-CD1 3.98Å; V288-I312 HydrophobicContact CG1-CG2 3.58Å; I292-I312 HydrophobicContact CD1-CD1 3.66Å; I292-I312 HydrophobicContact CG1-CD1 3.35Å; L299-I312 HydrophobicContact CD1-CD1 4.08Å; L299-I312 HydrophobicContact CD2-CD1 3.83Å; L299-I312 HydrophobicContact CD2-CG1 4.45Å; I312-R325 HydrophobicContact CG2-CB 4.45Å; I312-I327 HydrophobicContact CG1-CG1 4.41Å; I312-I327 HydrophobicContact CG1-CG2 4.39Å
313S85.8Confident74.9Confident13 Ų1378.1 Ų78.19%0.09139%0.393CS..  trans-45.5133.6173.945.30000111.1E317 R325 T326S313-E317 VanDerWaalsContact CB-OE2 3.28Å; S313-E317 WeakPolarHBondContact CB-OE2 3.38Å; S313-R325 PolarHBondContact O-NE 3.44Å; S313-R325 PolarHBondContact O-NH2 3.26Å; S313-R325 WeakPolarHBondContact OG-CB 3.4Å; S313-T326 PolarHBondContact N-O 3.45Å; S313-T326 PolarHBondContact OG-N 2.82Å; S313-T326 PolarHBondContact OG-O 3Å
314P75.1Confident74.3Confident56 Ų5677.9 Ų77.936%0.36439%0.392SS..  trans-57.2154.8-177.421.2-31000112.8Q316 E317P314-Q316 VanDerWaalsContact CB-OE1 3.26Å; P314-Q316 PolarHBondContact O-N 3.33Å; P314-Q316 VanDerWaalsContact O-N 3.14Å; P314-E317 WeakPolarHBondContact CD-OE1 3.39Å; P314-E317 HydrophobicContact CG-CG 4.03Å; P314-E317 WeakPolarHBondContact CG-OE1 3.35Å; P314-E317 PolarHBondContact O-N 3.46Å; P314-E317 VanDerWaalsContact O-N 3.1Å
315L66.7Low74Confident63 Ų6371.5 Ų71.533%0.3336%0.361SS..G310 helixtrans-62.3-21.9178.9-77.8167.3000112.5E317 L318L315-E317 PolarHBondContact O-N 2.94Å; L315-L318 HydrophobicContact CD2-CD1 4.32Å; L315-L318 PolarHBondContact O-N 3.45Å
316Q55.4Low73.8Confident131 Ų13167.8 Ų67.861%0.61234%0.342SS*.G310 helixtrans-67.1-18.6177-66.480.6-4.500113.3P314P314-Q316 VanDerWaalsContact CB-OE1 3.26Å; P314-Q316 PolarHBondContact O-N 3.33Å; P314-Q316 VanDerWaalsContact O-N 3.14Å
317E57.3Low73.9Confident120 Ų12067.4 Ų67.456%0.56134%0.34SS*.G310 helixtrans-86.3-7.2176.4-73.2173.4-157.800113S313 P314 L315S313-E317 VanDerWaalsContact CB-OE2 3.28Å; S313-E317 WeakPolarHBondContact CB-OE2 3.38Å; P314-E317 WeakPolarHBondContact CD-OE1 3.39Å; P314-E317 HydrophobicContact CG-CG 4.03Å; P314-E317 WeakPolarHBondContact CG-OE1 3.35Å; P314-E317 PolarHBondContact O-N 3.46Å; P314-E317 VanDerWaalsContact O-N 3.1Å; L315-E317 PolarHBondContact O-N 2.94Å
318L50.7Low73.9Confident40 Ų4061.7 Ų61.721%0.20931%0.31CS..  trans-74.8139.6172.3-80.770.2000110.6N285 L315 R325N285-L318 HydrophobicContact CB-CD2 3.65Å; L315-L318 HydrophobicContact CD2-CD1 4.32Å; L315-L318 PolarHBondContact O-N 3.45Å; L318-R325 HydrophobicContact CD1-CG 3.28Å; L318-R325 HydrophobicContact CG-CG 4.11Å
319T47.8Very low74Confident64 Ų6461 Ų6139%0.39331%0.306SS..BIsolated β-bridgetrans-127162.8168.266.80000109.9Y321 N322T319-Y321 PolarHBondContact O-N 2.83Å; T319-N322 PolarHBondContact N-O 3.38Å; T319-N322 CarbonylContact O-C 3.59Å; T319-N322 PolarHBondContact O-N 3.22Å; T319-N322 PolarHBondContact OG1-N 3.47Å; T319-N322 VanDerWaalsContact OG1-N 3.13Å
320L36.3Very low74Confident103 Ų10358.6 Ų58.654%0.53930%0.296SS..THydrogen-bonded Turntrans-58.6-21175.5-123.9104.9000113.2F464 Y544L320-F464 HydrophobicContact CD1-CE2 4.2Å; L320-F464 HydrophobicContact CD1-CZ 4.24Å; L320-F464 HydrophobicContact CD2-CZ 4.1Å; L320-Y544 HydrophobicContact CB-CE1 3.98Å; L320-Y544 HydrophobicContact CD1-CD1 3.47Å; L320-Y544 VanDerWaalsContact CD1-CD1 3.47Å; L320-Y544 HydrophobicContact CD1-CE1 3.49Å; L320-Y544 VanDerWaalsContact CD1-CE1 3.49Å; L320-Y544 HydrophobicContact CG-CE1 4.34Å
321Y40.9Very low73.7Confident210 Ų21059 Ų5982%0.82430%0.302SS*.THydrogen-bonded Turntrans-96.6-11.7177.5-60.3-78.4000113.1T319T319-Y321 PolarHBondContact O-N 2.83Å
322N59.2Low73.7Confident71 Ų7162 Ų6238%0.3832%0.315SS..BIsolated β-bridgetrans-137.886.9176.5-170.3-1.6000110.4T319 E324T319-N322 PolarHBondContact N-O 3.38Å; T319-N322 CarbonylContact O-C 3.59Å; T319-N322 PolarHBondContact O-N 3.22Å; T319-N322 PolarHBondContact OG1-N 3.47Å; T319-N322 VanDerWaalsContact OG1-N 3.13Å; N322-E324 PolarHBondContact O-N 3.36Å; N322-E324 WeakPolarHBondContact OD1-CB 3.47Å; N322-E324 PolarHBondContact OD1-N 2.76Å; N322-E324 VanDerWaalsContact OD1-N 3.15Å
323P66.7Low73.7Confident53 Ų5361.7 Ų61.734%0.34432%0.315SS..  trans-81.35.4176.835.9-37.2000112.9H284 N285H284-P323 WeakPolarHBondContact NE2-CB 3.4Å; N285-P323 PolarHBondContact N-O 3.06Å
324E80.8Confident74Confident44 Ų4467 Ų6721%0.20634%0.338CS..EExtended strand (participates in β ladder)trans-88.1136.2178.6-57-173.1147.700110.6R199 L282 A283 N322R199-E324 IonicContact CZ-OE1 2.89Å; R199-E324 IonicContact CZ-OE2 3.32Å; R199-E324 IonicContact NH1-OE1 3.88Å; R199-E324 PolarHBondContact NH1-OE1 2.96Å; R199-E324 IonicContact NH1-OE2 2.72Å; R199-E324 PolarHBondContact NH1-OE2 3.49Å; L282-E324 HydrophobicContact CD2-CB 4.46Å; A283-E324 CarbonylContact O-C 3.59Å; A283-E324 WeakPolarHBondContact O-CA 3Å; N322-E324 PolarHBondContact O-N 3.36Å; N322-E324 WeakPolarHBondContact OD1-CB 3.47Å; N322-E324 PolarHBondContact OD1-N 2.76Å; N322-E324 VanDerWaalsContact OD1-N 3.15Å
325R87Confident74.9Confident23 Ų2365.7 Ų65.79%0.08733%0.329CS..EExtended strand (participates in β ladder)trans-104.1144.4168.6-68.7-178.982.8176-1.1109.3A283 N285 V288 I312 S313 L318A283-R325 PolarHBondContact N-O 3.44Å; A283-R325 PolarHBondContact O-N 2.89Å; N285-R325 WeakPolarHBondContact OD1-CD 3.29Å; V288-R325 HydrophobicContact CG1-CB 4.37Å; V288-R325 HydrophobicContact CG2-CB 4.12Å; I312-R325 HydrophobicContact CG2-CB 4.45Å; S313-R325 PolarHBondContact O-NE 3.44Å; S313-R325 PolarHBondContact O-NH2 3.26Å; S313-R325 WeakPolarHBondContact OG-CB 3.4Å; L318-R325 HydrophobicContact CD1-CG 3.28Å; L318-R325 HydrophobicContact CG-CG 4.11Å
326T89.9Confident76.2Confident27 Ų2762.8 Ų62.817%0.16631%0.314CS..EExtended strand (participates in β ladder)trans-82.7123.6169.6-49.70000109.6K280 I281 S313K280-T326 HydrophobicContact CB-CG2 3.83Å; K280-T326 HydrophobicContact CD-CG2 4.14Å; K280-T326 HydrophobicContact CG-CG2 4.02Å; I281-T326 CarbonylContact O-C 3.58Å; I281-T326 WeakPolarHBondContact O-CA 3.44Å; S313-T326 PolarHBondContact N-O 3.45Å; S313-T326 PolarHBondContact OG-N 2.82Å; S313-T326 PolarHBondContact OG-O 3Å
327I94.6Very high77.9Confident0 Ų057.2 Ų57.20%029%0.29CS..EExtended strand (participates in β ladder)trans-100.6114.5168.1-54.9161.4000106.5K280 I281 A283 V288 L291 I310 I312 V329 I343 I347K280-I327 CarbonylContact C-O 3.51Å; K280-I327 WeakPolarHBondContact CA-O 3.33Å; I281-I327 HydrophobicContact CB-CB 4.34Å; I281-I327 PolarHBondContact N-O 3.27Å; I281-I327 PolarHBondContact O-N 3.19Å; A283-I327 HydrophobicContact CB-CD1 3.97Å; V288-I327 HydrophobicContact CG2-CD1 4.16Å; V288-I327 HydrophobicContact CG2-CG1 4.36Å; L291-I327 HydrophobicContact CD2-CD1 3.58Å; L291-I327 HydrophobicContact CD2-CG1 4.42Å; I310-I327 HydrophobicContact CG2-CG2 3.62Å; I312-I327 HydrophobicContact CG1-CG1 4.41Å; I312-I327 HydrophobicContact CG1-CG2 4.39Å; I327-V329 HydrophobicContact CG2-CG2 4.48Å; I327-I343 HydrophobicContact CD1-CG2 4.06Å; I327-I343 HydrophobicContact CG2-CD1 4.15Å; I327-I347 HydrophobicContact CD1-CD1 4.33Å
328T94.3Very high79.6Confident21 Ų2157.4 Ų57.413%0.12929%0.29CS..EExtended strand (participates in β ladder)trans-105.8114.9-176.8-55.80000109.3P278 L279 K280 I310 T311P278-T328 HydrophobicContact CB-CG2 3.53Å; P278-T328 HydrophobicContact CG-CG2 4.04Å; L279-T328 CarbonylContact O-C 3.38Å; L279-T328 WeakPolarHBondContact O-CA 3.26Å; K280-T328 HydrophobicContact CG-CG2 4.16Å; I310-T328 CarbonylContact C-O 3.6Å; I310-T328 WeakPolarHBondContact CA-O 3.19Å; T311-T328 PolarHBondContact N-O 3.2Å; T311-T328 PolarHBondContact O-N 3.1Å; T311-T328 WeakPolarHBondContact OG1-CB 3.46Å; T311-T328 PolarHBondContact OG1-O 3.41Å
329V95.8Very high81.7Confident0 Ų055.5 Ų55.50%028%0.28CS..EExtended strand (participates in β ladder)trans-103.9127.6177.7-172.60000108.7P278 L279 T308 I310 I327 A339 I343P278-V329 WeakPolarHBondContact CA-O 3.15Å; L279-V329 HydrophobicContact CB-CB 4.18Å; L279-V329 HydrophobicContact CD2-CB 4.44Å; L279-V329 HydrophobicContact CD2-CG2 4.43Å; L279-V329 PolarHBondContact N-O 3.44Å; L279-V329 PolarHBondContact O-N 3.06Å; T308-V329 HydrophobicContact CG2-CG1 3.98Å; I310-V329 HydrophobicContact CG1-CG1 4.19Å; I310-V329 HydrophobicContact CG1-CG2 4.2Å; I310-V329 HydrophobicContact CG2-CG2 4.41Å; I327-V329 HydrophobicContact CG2-CG2 4.48Å; V329-A339 HydrophobicContact CG1-CB 3.82Å; V329-I343 HydrophobicContact CG2-CD1 3.75Å
330K92.6Very high84Confident90 Ų9052.5 Ų52.539%0.39126%0.261SS..EExtended strand (participates in β ladder)trans-113.3140.5174.7-64.9-172175.8-162.50110.2P278 K309P278-K330 HydrophobicContact CB-CG 4.09Å; K309-K330 HydrophobicContact CB-CB 4.38Å; K309-K330 PolarHBondContact N-O 2.89Å; K309-K330 PolarHBondContact O-N 3.21Å
331G89.6Confident86.7Confident16 Ų1653 Ų5317%0.16526%0.26CS..SBendtrans146.3179.9-172.400000112.4E276 C336E276-G331 PolarHBondContact OE1-N 3.09Å; G331-C336 PolarHBondContact O-SG 3.48Å
332N90.7Very high89.2Confident123 Ų12346.2 Ų46.266%0.65824%0.237SC*.  trans-65161.1176.9-69.5-10.1000111.9E334 T335 C336N332-E334 PolarHBondContact O-N 3.31Å; N332-T335 PolarHBondContact N-OG1 3.19Å; N332-T335 PolarHBondContact O-N 2.89Å; N332-T335 PolarHBondContact O-OG1 3.18Å; N332-C336 VanDerWaalsContact O-CB 3.3Å; N332-C336 WeakPolarHBondContact O-CB 3.14Å; N332-C336 PolarHBondContact O-N 3.04Å; N332-C336 PolarHBondContact O-SG 3.14Å; N332-C336 VanDerWaalsContact O-SG 3.36Å
333V91.2Very high90.9Very high27 Ų2742.9 Ų42.916%0.16422%0.218CC..Hα-helixtrans-54.4-41.8178.7177.20000112.1K258 L261 E262 A337K258-V333 HydrophobicContact CG-CG1 4.06Å; L261-V333 HydrophobicContact CB-CG1 4.11Å; E262-V333 HydrophobicContact CG-CG1 3.73Å; V333-A337 WeakPolarHBondContact O-CB 3.1Å; V333-A337 PolarHBondContact O-N 2.79Å
334E91.5Very high92.1Very high125 Ų12540.8 Ų40.858%0.58420%0.204SC*.Hα-helixtrans-70.3-40.4-179.9-62.4-170.5164.900113.2N332 A337 K338N332-E334 PolarHBondContact O-N 3.31Å; E334-A337 PolarHBondContact O-N 2.8Å; E334-K338 WeakPolarHBondContact O-CG 3.36Å; E334-K338 PolarHBondContact O-N 3.28Å; E334-K338 VanDerWaalsContact O-N 3.15Å
335T93.4Very high92.6Very high28 Ų2843 Ų4317%0.17221%0.213CC..Hα-helixtrans-72.5-38.2178.858.90000110.7T306 T308 N332 A337 K338 A339T306-T335 WeakPolarHBondContact O-CB 3.35Å; T308-T335 WeakPolarHBondContact CG2-O 3.33Å; N332-T335 PolarHBondContact N-OG1 3.19Å; N332-T335 PolarHBondContact O-N 2.89Å; N332-T335 PolarHBondContact O-OG1 3.18Å; T335-A337 PolarHBondContact O-N 2.85Å; T335-K338 PolarHBondContact O-N 3.42Å; T335-A339 WeakPolarHBondContact O-CB 3Å; T335-A339 PolarHBondContact O-N 3.04Å
336C93.7Very high92.8Very high2 Ų245 Ų451%0.01422%0.223CC..Hα-helixtrans-61.4-40.6172.2-74.90000112.3L261 L279 G331 N332 A339 E340L261-C336 HydrophobicContact CD1-CB 4.02Å; L279-C336 HydrophobicContact CB-CB 4.3Å; L279-C336 HydrophobicContact CD2-CB 4.21Å; G331-C336 PolarHBondContact O-SG 3.48Å; N332-C336 VanDerWaalsContact O-CB 3.3Å; N332-C336 WeakPolarHBondContact O-CB 3.14Å; N332-C336 PolarHBondContact O-N 3.04Å; N332-C336 PolarHBondContact O-SG 3.14Å; N332-C336 VanDerWaalsContact O-SG 3.36Å; C336-A339 PolarHBondContact O-N 2.72Å; C336-E340 WeakPolarHBondContact O-CB 3.26Å; C336-E340 PolarHBondContact O-N 2.93Å
337A92.1Very high92.9Very high14 Ų1444 Ų4412%0.11622%0.216CC..Hα-helixtrans-65.1-41.8176.300000112.1K258 V333 E334 T335 E340 E341K258-A337 HydrophobicContact CB-CB 4.21Å; K258-A337 HydrophobicContact CG-CB 4.34Å; V333-A337 WeakPolarHBondContact O-CB 3.1Å; V333-A337 PolarHBondContact O-N 2.79Å; E334-A337 PolarHBondContact O-N 2.8Å; T335-A337 PolarHBondContact O-N 2.85Å; A337-E340 PolarHBondContact O-N 3.39Å; A337-E341 PolarHBondContact O-N 2.92Å; A337-E341 VanDerWaalsContact O-N 3.08Å
338K93.3Very high92.6Very high125 Ų12546.4 Ų46.454%0.54323%0.225SC..Hα-helixtrans-64-41.1173.9-70.1175.7-177.4177.20112.2T306 E334 T335 E341 E342T306-K338 HydrophobicContact CG2-CB 4.36Å; E334-K338 WeakPolarHBondContact O-CG 3.36Å; E334-K338 PolarHBondContact O-N 3.28Å; E334-K338 VanDerWaalsContact O-N 3.15Å; T335-K338 PolarHBondContact O-N 3.42Å; K338-E341 PolarHBondContact O-N 2.86Å; K338-E342 PolarHBondContact O-N 2.99Å; K338-E342 VanDerWaalsContact O-N 3.17Å
339A94.6Very high92.4Very high0 Ų048.6 Ų48.60%023%0.234CC..Hα-helixtrans-65-40.8176.300000112T306 T308 V329 T335 C336 E341 E342 I343T306-A339 HydrophobicContact CG2-CB 4.06Å; T308-A339 HydrophobicContact CG2-CB 3.95Å; V329-A339 HydrophobicContact CG1-CB 3.82Å; T335-A339 WeakPolarHBondContact O-CB 3Å; T335-A339 PolarHBondContact O-N 3.04Å; C336-A339 PolarHBondContact O-N 2.72Å; A339-E341 PolarHBondContact O-N 2.6Å; A339-E342 PolarHBondContact O-N 3.47Å; A339-I343 VanDerWaalsContact O-CB 3.31Å; A339-I343 WeakPolarHBondContact O-CB 3.4Å; A339-I343 WeakPolarHBondContact O-CD1 3.24Å; A339-I343 WeakPolarHBondContact O-CG1 3.47Å; A339-I343 PolarHBondContact O-N 2.8Å
340E95Very high91.9Very high1 Ų148.9 Ų48.91%0.00524%0.236CC..Hα-helixtrans-57.5-47.2173.1-177.9-86.7147.600112L198 S254 C257 L279 I281 C336 A337 E342 I343 M344L198-E340 HydrophobicContact CD2-CG 4.18Å; L198-E340 WeakPolarHBondContact CD2-OE1 3.33Å; S254-E340 VanDerWaalsContact CA-OE2 3.23Å; S254-E340 WeakPolarHBondContact CA-OE2 3.29Å; S254-E340 VanDerWaalsContact CB-OE2 3.23Å; S254-E340 WeakPolarHBondContact CB-OE2 3.39Å; S254-E340 PolarHBondContact OG-OE2 3.32Å; C257-E340 HydrophobicContact CB-CG 4.4Å; L279-E340 HydrophobicContact CD2-CB 3.85Å; L279-E340 HydrophobicContact CD2-CG 4.42Å; I281-E340 HydrophobicContact CD1-CB 4.27Å; I281-E340 HydrophobicContact CD1-CG 4.02Å; C336-E340 WeakPolarHBondContact O-CB 3.26Å; C336-E340 PolarHBondContact O-N 2.93Å; A337-E340 PolarHBondContact O-N 3.39Å; E340-E342 PolarHBondContact O-N 3.19Å; E340-I343 PolarHBondContact O-N 3.47Å; E340-M344 HydrophobicContact CG-CG 4.39Å; E340-M344 WeakPolarHBondContact O-CB 3.3Å; E340-M344 WeakPolarHBondContact O-CG 3.38Å; E340-M344 PolarHBondContact O-N 3.01Å; E340-M344 WeakPolarHBondContact OE1-CG 3.37Å
341E93.9Very high91.5Very high112 Ų11248.3 Ų48.352%0.52323%0.232SC..Hα-helixtrans-58.7-48.8179.8-172.4-178.9173.300111.6A337 K338 A339 M344 K345A337-E341 PolarHBondContact O-N 2.92Å; A337-E341 VanDerWaalsContact O-N 3.08Å; K338-E341 PolarHBondContact O-N 2.86Å; A339-E341 PolarHBondContact O-N 2.6Å; E341-M344 PolarHBondContact O-N 3.32Å; E341-K345 WeakPolarHBondContact O-CB 3.5Å; E341-K345 PolarHBondContact O-N 3.17Å
342E93.8Very high91.2Very high69 Ų6951.7 Ų51.732%0.32224%0.244SC..Hα-helixtrans-67.1-38.8178-79.7-65.5153.600112.7I302 K338 A339 E340 K345 K346I302-E342 HydrophobicContact CG2-CB 4.08Å; K338-E342 PolarHBondContact O-N 2.99Å; K338-E342 VanDerWaalsContact O-N 3.17Å; A339-E342 PolarHBondContact O-N 3.47Å; E340-E342 PolarHBondContact O-N 3.19Å; E342-K345 IonicContact OE1-NZ 3.7Å; E342-K345 PolarHBondContact OE1-NZ 3.38Å; E342-K345 IonicContact OE2-NZ 2.68Å; E342-K346 PolarHBondContact O-N 2.9Å; E342-K346 VanDerWaalsContact O-N 3.08Å
343I94.4Very high90.8Very high0 Ų050.7 Ų50.70%024%0.238CC..Hα-helixtrans-61.6-51.9175.1-72164000110.1I281 L291 I302 I310 I327 V329 A339 E340 K345 K346 I347I281-I343 HydrophobicContact CD1-CD1 4.2Å; I281-I343 HydrophobicContact CD1-CG2 4.28Å; L291-I343 HydrophobicContact CD1-CB 4.46Å; L291-I343 HydrophobicContact CD1-CG1 4.37Å; L291-I343 HydrophobicContact CD1-CG2 4.32Å; L291-I343 HydrophobicContact CD2-CG1 4.48Å; L291-I343 HydrophobicContact CD2-CG2 3.89Å; I302-I343 HydrophobicContact CG2-CG1 4.38Å; I310-I343 HydrophobicContact CD1-CD1 4.19Å; I327-I343 HydrophobicContact CD1-CG2 4.06Å; I327-I343 HydrophobicContact CG2-CD1 4.15Å; V329-I343 HydrophobicContact CG2-CD1 3.75Å; A339-I343 VanDerWaalsContact O-CB 3.31Å; A339-I343 WeakPolarHBondContact O-CB 3.4Å; A339-I343 WeakPolarHBondContact O-CD1 3.24Å; A339-I343 WeakPolarHBondContact O-CG1 3.47Å; A339-I343 PolarHBondContact O-N 2.8Å; E340-I343 PolarHBondContact O-N 3.47Å; I343-K345 VanDerWaalsContact C-N 3.33Å; I343-K345 PolarHBondContact O-N 3.04Å; I343-K346 PolarHBondContact O-N 3.38Å; I343-I347 HydrophobicContact CG2-CD1 3.71Å; I343-I347 HydrophobicContact CG2-CG1 4.44Å; I343-I347 WeakPolarHBondContact O-CG1 3.42Å; I343-I347 PolarHBondContact O-N 3.13Å
344M92.7Very high90.1Very high10 Ų1051.8 Ų51.85%0.04924%0.243CC..Hα-helixtrans-67.6-34.5-177-75.6-54.3-63.800112.4L198 I281 E340 E341 I347 R348L198-M344 HydrophobicContact CB-CE 4.22Å; L198-M344 HydrophobicContact CD1-CE 4.34Å; L198-M344 HydrophobicContact CD1-CG 3.89Å; L198-M344 HydrophobicContact CD1-SD 3.64Å; I281-M344 HydrophobicContact CG2-SD 4.48Å; E340-M344 HydrophobicContact CG-CG 4.39Å; E340-M344 WeakPolarHBondContact O-CB 3.3Å; E340-M344 WeakPolarHBondContact O-CG 3.38Å; E340-M344 PolarHBondContact O-N 3.01Å; E340-M344 WeakPolarHBondContact OE1-CG 3.37Å; E341-M344 PolarHBondContact O-N 3.32Å; M344-I347 PolarHBondContact O-N 3.29Å; M344-I347 HydrophobicContact SD-CD1 4.01Å; M344-R348 WeakPolarHBondContact O-CB 3.4Å; M344-R348 PolarHBondContact O-N 2.75Å
345K91.4Very high89.4Confident91 Ų9148.3 Ų48.340%0.39623%0.228SC..Hα-helixtrans-58.1-48170.2179.2-178.9173.2-170.60111.3E341 E342 I343 I347 R348 E349E341-K345 WeakPolarHBondContact O-CB 3.5Å; E341-K345 PolarHBondContact O-N 3.17Å; E342-K345 IonicContact OE1-NZ 3.7Å; E342-K345 PolarHBondContact OE1-NZ 3.38Å; E342-K345 IonicContact OE2-NZ 2.68Å; I343-K345 VanDerWaalsContact C-N 3.33Å; I343-K345 PolarHBondContact O-N 3.04Å; K345-I347 PolarHBondContact O-N 3.32Å; K345-R348 PolarHBondContact O-N 3.28Å; K345-E349 WeakPolarHBondContact O-CG 3.45Å; K345-E349 PolarHBondContact O-N 3.04Å
346K90.9Very high88.6Confident64 Ų6449.2 Ų49.228%0.27824%0.238SC..Hα-helixtrans-66.7-36.2178.9-155.176.5-163.4155.60113.4L291 N298 E342 I343 E349 S350L291-K346 HydrophobicContact CD1-CB 3.75Å; L291-K346 HydrophobicContact CD1-CG 4.1Å; N298-K346 WeakPolarHBondContact ND2-CE 3.28Å; N298-K346 WeakPolarHBondContact ND2-CG 3.42Å; E342-K346 PolarHBondContact O-N 2.9Å; E342-K346 VanDerWaalsContact O-N 3.08Å; I343-K346 PolarHBondContact O-N 3.38Å; K346-E349 WeakPolarHBondContact CE-OE2 3.49Å; K346-E349 IonicContact NZ-OE2 3.81Å; K346-E349 PolarHBondContact NZ-OE2 3.21Å; K346-S350 WeakPolarHBondContact O-CB 3.4Å; K346-S350 PolarHBondContact O-N 3.34Å; K346-S350 PolarHBondContact O-OG 3.28Å
347I91.3Very high87.4Confident5 Ų551.9 Ų51.93%0.02626%0.257CS..Hα-helixtrans-65.4-43.8174.2-68.5172.2000110L196 A283 F287 I327 I343 M344 K345 S350 Y351L196-I347 HydrophobicContact CD2-CG2 3.46Å; L196-I347 VanDerWaalsContact CD2-CG2 3.46Å; A283-I347 HydrophobicContact CB-CD1 3.82Å; F287-I347 HydrophobicContact CB-CB 4.47Å; F287-I347 HydrophobicContact CB-CG1 4.2Å; F287-I347 HydrophobicContact CB-CG2 3.92Å; F287-I347 HydrophobicContact CD2-CG2 4.24Å; F287-I347 HydrophobicContact CG-CG2 4.03Å; I327-I347 HydrophobicContact CD1-CD1 4.33Å; I343-I347 HydrophobicContact CG2-CD1 3.71Å; I343-I347 HydrophobicContact CG2-CG1 4.44Å; I343-I347 WeakPolarHBondContact O-CG1 3.42Å; I343-I347 PolarHBondContact O-N 3.13Å; M344-I347 PolarHBondContact O-N 3.29Å; M344-I347 HydrophobicContact SD-CD1 4.01Å; K345-I347 PolarHBondContact O-N 3.32Å; I347-S350 WeakPolarHBondContact O-CB 3.34Å; I347-S350 PolarHBondContact O-N 3.09Å; I347-Y351 PolarHBondContact O-N 3.12Å
348R88.9Confident85.9Confident52 Ų5257.6 Ų57.620%0.19628%0.283CS..Hα-helixtrans-62.9-46.4177-170.1-177-57.6120.68.3112M344 K345 S350 Y351 E352M344-R348 WeakPolarHBondContact O-CB 3.4Å; M344-R348 PolarHBondContact O-N 2.75Å; K345-R348 PolarHBondContact O-N 3.28Å; R348-S350 PolarHBondContact O-N 3.11Å; R348-Y351 WeakPolarHBondContact O-CB 3.45Å; R348-Y351 PolarHBondContact O-N 3.26Å; R348-Y351 VanDerWaalsContact O-N 3.11Å; R348-E352 WeakPolarHBondContact O-CG 3.44Å; R348-E352 PolarHBondContact O-N 3.23Å
349E88.7Confident84.3Confident67 Ų6755.4 Ų55.431%0.31328%0.277SS..Hα-helixtrans-56-42.8173.4-74.1174.9-173.700111.2K345 K346 E352 N353K345-E349 WeakPolarHBondContact O-CG 3.45Å; K345-E349 PolarHBondContact O-N 3.04Å; K346-E349 WeakPolarHBondContact CE-OE2 3.49Å; K346-E349 IonicContact NZ-OE2 3.81Å; K346-E349 PolarHBondContact NZ-OE2 3.21Å; E349-E352 PolarHBondContact O-N 3.29Å; E349-N353 WeakPolarHBondContact O-CB 3.37Å; E349-N353 PolarHBondContact O-N 2.96Å; E349-N353 PolarHBondContact O-ND2 3.14Å
350S85.4Confident82.4Confident6 Ų661.2 Ų61.24%0.04231%0.307CS..Hα-helixtrans-63.2-42.3177.4-64.40000111.7R290 K346 I347 R348 N353 D354R290-S350 VanDerWaalsContact CZ-CB 3.48Å; R290-S350 PolarHBondContact NH1-O 2.9Å; K346-S350 WeakPolarHBondContact O-CB 3.4Å; K346-S350 PolarHBondContact O-N 3.34Å; K346-S350 PolarHBondContact O-OG 3.28Å; I347-S350 WeakPolarHBondContact O-CB 3.34Å; I347-S350 PolarHBondContact O-N 3.09Å; R348-S350 PolarHBondContact O-N 3.11Å; S350-N353 PolarHBondContact O-N 3.28Å; S350-D354 PolarHBondContact O-N 2.83Å; S350-D354 VanDerWaalsContact O-N 3.11Å
351Y84.4Confident80.2Confident77 Ų7768.4 Ų68.430%0.30234%0.341SS..Hα-helixtrans-65.1-44.7176.3-179.3-104.7000112.7C194 L196 F287 I347 R348 N353 D354 I355C194-Y351 HydrophobicContact CB-CD1 4.1Å; C194-Y351 HydrophobicContact CB-CE1 3.78Å; L196-Y351 HydrophobicContact CD1-CD2 4.31Å; L196-Y351 HydrophobicContact CD1-CE2 4.48Å; L196-Y351 HydrophobicContact CD1-CG 4.4Å; F287-Y351 HydrophobicContact CE1-CD2 4.15Å; F287-Y351 AromaticContact CZ-CD2 3.8Å; F287-Y351 HydrophobicContact CZ-CD2 3.8Å; I347-Y351 PolarHBondContact O-N 3.12Å; R348-Y351 WeakPolarHBondContact O-CB 3.45Å; R348-Y351 PolarHBondContact O-N 3.26Å; R348-Y351 VanDerWaalsContact O-N 3.11Å; Y351-N353 VanDerWaalsContact C-N 3.34Å; Y351-N353 PolarHBondContact O-N 2.72Å; Y351-D354 WeakPolarHBondContact O-CB 3.37Å; Y351-D354 PolarHBondContact O-N 2.62Å; Y351-I355 HydrophobicContact CD1-CD1 3.73Å; Y351-I355 HydrophobicContact CE1-CD1 3.17Å; Y351-I355 HydrophobicContact CE1-CG1 4.27Å; Y351-I355 HydrophobicContact CE2-CD1 4.26Å; Y351-I355 HydrophobicContact CG-CD1 4.47Å; Y351-I355 VanDerWaalsContact CZ-CD1 3.48Å; Y351-I355 PolarHBondContact O-N 3.48Å
352E84.6Confident78Confident88 Ų8865.6 Ų65.641%0.41134%0.337SS..Hα-helixtrans-63-40.5176.7-73.1176.1176.100112R348 E349 D354 I355 A356R348-E352 WeakPolarHBondContact O-CG 3.44Å; R348-E352 PolarHBondContact O-N 3.23Å; E349-E352 PolarHBondContact O-N 3.29Å; E352-D354 VanDerWaalsContact C-N 3.31Å; E352-D354 PolarHBondContact O-N 3.48Å; E352-I355 PolarHBondContact O-N 2.95Å; E352-A356 WeakPolarHBondContact O-CB 3.38Å; E352-A356 PolarHBondContact O-N 3.5Å
353N81.5Confident75.6Confident102 Ų10268.8 Ų68.855%0.54535%0.351SS..Hα-helixtrans-61.6-39174.6-76.2-46.9000112E349 S350 Y351 A356 S357E349-N353 WeakPolarHBondContact O-CB 3.37Å; E349-N353 PolarHBondContact O-N 2.96Å; E349-N353 PolarHBondContact O-ND2 3.14Å; S350-N353 PolarHBondContact O-N 3.28Å; Y351-N353 VanDerWaalsContact C-N 3.34Å; Y351-N353 PolarHBondContact O-N 2.72Å; N353-A356 PolarHBondContact O-N 2.84Å; N353-S357 WeakPolarHBondContact O-CB 3.41Å; N353-S357 PolarHBondContact O-N 2.82Å; N353-S357 PolarHBondContact O-OG 3.09Å
354D76.9Confident73.1Confident50 Ų5075.3 Ų75.327%0.26739%0.386SS..Hα-helixtrans-64.3-48.2175.2-70.5-5.6000110.8R290 S350 Y351 E352 A356 S357 M358R290-D354 IonicContact CZ-OD1 2.67Å; R290-D354 VanDerWaalsContact CZ-OD1 3.29Å; R290-D354 IonicContact CZ-OD2 3.62Å; R290-D354 IonicContact NH1-OD1 2.73Å; R290-D354 PolarHBondContact NH1-OD1 3.47Å; R290-D354 IonicContact NH1-OD2 3.23Å; R290-D354 VanDerWaalsContact NH2-CG 3.29Å; R290-D354 IonicContact NH2-OD1 2.8Å; R290-D354 PolarHBondContact NH2-OD1 3.2Å; R290-D354 IonicContact NH2-OD2 3.29Å; R290-D354 PolarHBondContact NH2-OD2 2.88Å; S350-D354 PolarHBondContact O-N 2.83Å; S350-D354 VanDerWaalsContact O-N 3.11Å; Y351-D354 WeakPolarHBondContact O-CB 3.37Å; Y351-D354 PolarHBondContact O-N 2.62Å; E352-D354 VanDerWaalsContact C-N 3.31Å; E352-D354 PolarHBondContact O-N 3.48Å; D354-A356 VanDerWaalsContact C-N 3.33Å; D354-A356 PolarHBondContact O-N 2.94Å; D354-S357 PolarHBondContact O-N 2.88Å; D354-S357 PolarHBondContact O-OG 3.39Å; D354-M358 WeakPolarHBondContact O-CG 3.26Å; D354-M358 PolarHBondContact O-N 3.46Å
355I76.3Confident71Confident52 Ų5280.5 Ų80.527%0.26741%0.412SS..Hα-helixtrans-59.8-43.4177.1-69.7172.4000111.4Y351 E352 S357 M358 N359Y351-I355 HydrophobicContact CD1-CD1 3.73Å; Y351-I355 HydrophobicContact CE1-CD1 3.17Å; Y351-I355 HydrophobicContact CE1-CG1 4.27Å; Y351-I355 HydrophobicContact CE2-CD1 4.26Å; Y351-I355 HydrophobicContact CG-CD1 4.47Å; Y351-I355 VanDerWaalsContact CZ-CD1 3.48Å; Y351-I355 PolarHBondContact O-N 3.48Å; E352-I355 PolarHBondContact O-N 2.95Å; I355-S357 VanDerWaalsContact C-N 3.34Å; I355-M358 PolarHBondContact O-N 3.03Å; I355-N359 WeakPolarHBondContact O-CB 3.25Å; I355-N359 PolarHBondContact O-N 3.45Å; I355-N359 PolarHBondContact O-ND2 2.83Å
356A77.1Confident68.2Low47 Ų4781 Ų8139%0.38843%0.425SS..Hα-helixtrans-63.2-41.8178.700000111.1E352 N353 D354 N359 L360E352-A356 WeakPolarHBondContact O-CB 3.38Å; E352-A356 PolarHBondContact O-N 3.5Å; N353-A356 PolarHBondContact O-N 2.84Å; D354-A356 VanDerWaalsContact C-N 3.33Å; D354-A356 PolarHBondContact O-N 2.94Å; A356-N359 PolarHBondContact O-N 2.92Å; A356-L360 WeakPolarHBondContact O-CB 3.43Å; A356-L360 PolarHBondContact O-N 3.41Å
357S68.9Low66.1Low58 Ų5881.5 Ų81.541%0.40645%0.449SS..Hα-helixtrans-66.7-38176.672.40000112.9N353 D354 I355 L360 Q361N353-S357 WeakPolarHBondContact O-CB 3.41Å; N353-S357 PolarHBondContact O-N 2.82Å; N353-S357 PolarHBondContact O-OG 3.09Å; D354-S357 PolarHBondContact O-N 2.88Å; D354-S357 PolarHBondContact O-OG 3.39Å; I355-S357 VanDerWaalsContact C-N 3.34Å; S357-L360 PolarHBondContact O-N 2.83Å; S357-Q361 PolarHBondContact O-N 2.8Å; S357-Q361 VanDerWaalsContact O-N 3.15Å
358M59.8Low63.8Low133 Ų13386.1 Ų86.166%0.65547%0.473SS*.Hα-helixtrans-67.5-39.1173.3-70-174.987.800111.7D354 I355 Q361 A362D354-M358 WeakPolarHBondContact O-CG 3.26Å; D354-M358 PolarHBondContact O-N 3.46Å; I355-M358 PolarHBondContact O-N 3.03Å; M358-Q361 PolarHBondContact O-N 3.17Å; M358-A362 PolarHBondContact O-N 3.42Å
359N59Low61.7Low80 Ų8089.5 Ų89.543%0.42850%0.495SS..Hα-helixtrans-68.7-35.7175.5-95.5-57.9000112.5I355 A356 Q361 A362 H363I355-N359 WeakPolarHBondContact O-CB 3.25Å; I355-N359 PolarHBondContact O-N 3.45Å; I355-N359 PolarHBondContact O-ND2 2.83Å; A356-N359 PolarHBondContact O-N 2.92Å; N359-Q361 VanDerWaalsContact C-N 3.3Å; N359-Q361 PolarHBondContact O-N 3.38Å; N359-A362 CarbonylContact O-C 3.53Å; N359-A362 PolarHBondContact O-N 3.3Å; N359-A362 VanDerWaalsContact O-N 3.15Å; N359-H363 WeakPolarHBondContact O-CB 3.44Å; N359-H363 PolarHBondContact O-N 3.25Å; N359-H363 PolarHBondContact O-ND1 3.48Å
360L56.1Low59.6Low121 Ų12192.8 Ų92.863%0.63451%0.514SS*.Hα-helixtrans-63.3-35.8172.3-91.9149.1000112A356 S357 L364A356-L360 WeakPolarHBondContact O-CB 3.43Å; A356-L360 PolarHBondContact O-N 3.41Å; S357-L360 PolarHBondContact O-N 2.83Å; L360-L364 PolarHBondContact O-N 2.74Å
361Q49.2Very low57.4Low152 Ų152100.1 Ų100.171%0.7155%0.553SS**Hα-helixtrans-70.1-33.1170.7-78.4-178.4-37.600112.9S357 M358 N359S357-Q361 PolarHBondContact O-N 2.8Å; S357-Q361 VanDerWaalsContact O-N 3.15Å; M358-Q361 PolarHBondContact O-N 3.17Å; N359-Q361 VanDerWaalsContact C-N 3.3Å; N359-Q361 PolarHBondContact O-N 3.38Å
362A45.9Very low55.5Low53 Ų53100.6 Ų100.644%0.43857%0.572SS.*Hα-helixtrans-74.4-33.9175.300000113.1M358 N359 L364 I365 P366M358-A362 PolarHBondContact O-N 3.42Å; N359-A362 CarbonylContact O-C 3.53Å; N359-A362 PolarHBondContact O-N 3.3Å; N359-A362 VanDerWaalsContact O-N 3.15Å; A362-L364 VanDerWaalsContact C-N 3.3Å; A362-L364 PolarHBondContact O-N 2.97Å; A362-I365 CarbonylContact O-C 3.53Å; A362-I365 PolarHBondContact O-N 3.29Å; A362-P366 WeakPolarHBondContact O-CD 3.46Å; A362-P366 WeakPolarHBondContact O-CG 3.47Å
363H44.3Very low53.6Low136 Ų136101.3 Ų101.363%0.6358%0.579SS**Hα-helixtrans-81.2-7.2178-73.477000113.7N359 I365N359-H363 WeakPolarHBondContact O-CB 3.44Å; N359-H363 PolarHBondContact O-N 3.25Å; N359-H363 PolarHBondContact O-ND1 3.48Å; H363-I365 VanDerWaalsContact C-N 3.28Å
364L42.3Very low51.8Low138 Ų138100 Ų10072%0.72359%0.588SS**THydrogen-bonded Turntrans-75.7-15.4167.1-84160.9000112.7L360 A362L360-L364 PolarHBondContact O-N 2.74Å; A362-L364 VanDerWaalsContact C-N 3.3Å; A362-L364 PolarHBondContact O-N 2.97Å
365I47.4Very low50.2Low118 Ų118105 Ų10561%0.60562%0.615SS**  trans-152.592.4164.8-46176.6000112.5A362 H363 L368A362-I365 CarbonylContact O-C 3.53Å; A362-I365 PolarHBondContact O-N 3.29Å; H363-I365 VanDerWaalsContact C-N 3.28Å; I365-L368 HydrophobicContact CG2-CB 4.12Å
366P32.3Very low48.3Very low102 Ų102111.8 Ų111.866%0.66264%0.642SS**SBendtrans-112.2103.9143.3-222.3000109.3A362A362-P366 WeakPolarHBondContact O-CD 3.46Å; A362-P366 WeakPolarHBondContact O-CG 3.47Å
367G47.3Very low46.2Very low75 Ų75114.7 Ų114.777%0.77366%0.657SS**SBendtrans10514.4166.500000118.4N369G367-N369 PolarHBondContact O-N 3.39Å; G367-N369 VanDerWaalsContact O-N 3.16Å
368L43.4Very low44.9Very low102 Ų102117.9 Ų117.953%0.53468%0.677SS.*  trans-79.799.2170.6-119.987.4000110.6I365 L370 L373I365-L368 HydrophobicContact CG2-CB 4.12Å; L368-L370 HydrophobicContact CB-CD1 4.32Å; L368-L370 PolarHBondContact O-N 3.32Å; L368-L373 HydrophobicContact CD2-CD1 3.44Å; L368-L373 VanDerWaalsContact CD2-CD1 3.44Å; L368-L373 HydrophobicContact CG-CD1 3.96Å
369N44.6Very low43.7Very low123 Ų123117.3 Ų117.366%0.65868%0.681SS**  trans-75.2102.6164.8-152-33.8000107.4G367 N371 A372G367-N369 PolarHBondContact O-N 3.39Å; G367-N369 VanDerWaalsContact O-N 3.16Å; N369-N371 PolarHBondContact O-N 3.27Å; N369-A372 PolarHBondContact O-N 3.06Å; N369-A372 VanDerWaalsContact O-N 3.12Å
370L44.8Very low42.7Very low135 Ų135119 Ų11971%0.70770%0.699SS**G310 helixtrans-62.9-11.1-173.4-9676.1000114.1L368 A372L368-L370 HydrophobicContact CB-CD1 4.32Å; L368-L370 PolarHBondContact O-N 3.32Å; L370-A372 VanDerWaalsContact C-N 3.34Å
371N39.6Very low41.9Very low161 Ų161116.7 Ų116.786%0.86171%0.705SS**G310 helixtrans-79.9-7.6174.6-82.313.3000114.6N369N369-N371 PolarHBondContact O-N 3.27Å
372A43.4Very low41.3Very low87 Ų87118.2 Ų118.272%0.71971%0.714SS**G310 helixtrans-104-0.4-174.600000115.2N369 L370N369-A372 PolarHBondContact O-N 3.06Å; N369-A372 VanDerWaalsContact O-N 3.12Å; L370-A372 VanDerWaalsContact C-N 3.34Å
373L44.7Very low40.9Very low103 Ų103120.7 Ų120.754%0.53973%0.726SS.*SBendtrans-103.810.4-174.1-83.8167000115.7L368 L375L368-L373 HydrophobicContact CD2-CD1 3.44Å; L368-L373 VanDerWaalsContact CD2-CD1 3.44Å; L368-L373 HydrophobicContact CG-CD1 3.96Å; L373-L375 VanDerWaalsContact C-N 3.29Å; L373-L375 PolarHBondContact O-N 2.85Å; L373-L375 VanDerWaalsContact O-N 3.08Å
374G43.7Very low40.7Very low73 Ų73119.8 Ų119.875%0.75373%0.731SS**  trans60.326.7162.400000116.9
375L43.2Very low40.5Very low156 Ų156119.3 Ų119.382%0.81774%0.737SS**  trans-92.317.6-175.3-78.5166.3000115.2L373L373-L375 VanDerWaalsContact C-N 3.29Å; L373-L375 PolarHBondContact O-N 2.85Å; L373-L375 VanDerWaalsContact O-N 3.08Å
376F36.5Very low40Very low194 Ų194119.9 Ų119.985%0.85175%0.746SS**SBendtrans-115.6135.5166.6-67.7-75.4000110.3
377P33.4Very low40.5Very low108 Ų108120.9 Ų120.970%0.70176%0.756SS**  trans-71152.1178.630.7-34.2000111.2
378P42.8Very low39.9Very low126 Ų126120.6 Ų120.682%0.81875%0.753SS**  trans-85.8115.9-178.433.3-28.4000109.5
379T34Very low39.8Very low121 Ų121121.9 Ų121.974%0.74277%0.767SS**  trans-140.2100.9162.161.30000111.4
380S37.4Very low39.8Very low115 Ų115122 Ų12280%0.80477%0.774SS**  55.8101.1129.954.40000119.5
381G40.1Very low39.2Very low73 Ų73121.2 Ų121.275%0.75378%0.78SS**  75.8105111.400000118.5
382M35.1Very low39.4Very low184 Ų184118.6 Ų118.691%0.90678%0.781SS**  trans-156.2138.2146.7-140.158.5178.300109.8
383P39.2Very low38.9Very low105 Ų105123.1 Ų123.168%0.68279%0.789SS**PPolyproline II helixtrans-82.7169.9-168.235.1-34.8000112.7
384P39.8Very low38.4Very low116 Ų116124.2 Ų124.275%0.75380%0.801SS**PPolyproline II helixtrans-78.8147.6-174.333.5-33.2000111.1
385P38.3Very low38Very low129 Ų129126.2 Ų126.284%0.83880%0.8SS**PPolyproline II helixtrans-84.4147.6167.534.1-29.9000110.8
386T36.3Very low37.6Very low130 Ų130124.8 Ų124.880%0.79880%0.8SS**PPolyproline II helixtrans-81160.1-17359.80000112.5
387S43.2Very low37.4Very low123 Ų123125.8 Ų125.886%0.8680%0.8SS**  trans-38131.3169.146.80000117.2
388G34.9Very low37.6Very low69 Ų69125.8 Ų125.871%0.71180%0.8SS**  trans-163.5151.2163.100000111.4
389P41.6Very low36.9Very low128 Ų128129 Ų12983%0.83180%0.804SS**  trans-85.4168.2-159.535.9-35.8000114.5
390P43.3Very low36.9Very low125 Ų125132.8 Ų132.881%0.81281%0.81SS**  trans-87145.7-155.934.4-32.1000112.8
391S32Very low36.7Very low120 Ų120136.2 Ų136.284%0.83981%0.814SS**  trans-139.4135.5158.6-82.50000110M393S391-M393 PolarHBondContact O-N 3.11Å
392A44.5Very low36.5Very low105 Ų105142 Ų14287%0.86882%0.821SS**  trans-64.7122-163.200000113.1
393M32.3Very low37.2Very low183 Ų183137.4 Ų137.490%0.90181%0.807SS**  trans-134.8121.3160.6-76172.376.200108.8S391S391-M393 PolarHBondContact O-N 3.11Å
394T36.1Very low38.3Very low126 Ų126138.2 Ų138.277%0.77380%0.802SS**  trans-45.1141.1171.1430000112.8
395P34.9Very low40Very low115 Ų115137.4 Ų137.475%0.74780%0.795SS**PPolyproline II helixtrans-67.3134.6172.726.6-30.7000110.3
396P34.9Very low42.2Very low126 Ų126132.9 Ų132.982%0.81876%0.763SS**PPolyproline II helixtrans-71.1137.4172.229.2-30.3000109.6
397Y32.5Very low44.8Very low214 Ų214129.3 Ų129.384%0.83974%0.741SS**PPolyproline II helixtrans-54.6151.6171.2-82.6-100.4000111.5Q399Y397-Q399 PolarHBondContact O-N 3.32Å
398P37.2Very low47.1Very low108 Ų108123.6 Ų123.670%0.70170%0.701SS**PPolyproline II helixtrans-60.4127.7171.525.5-31.2000109.4F400P398-F400 PolarHBondContact O-N 2.91Å; P398-F400 VanDerWaalsContact O-N 3.11Å
399Q28.6Very low50Low195 Ų195121.4 Ų121.491%0.91167%0.672SS**  trans-57.1115.3169.9-74.7177.9-52.800108.3Y397 E401Y397-Q399 PolarHBondContact O-N 3.32Å; Q399-E401 PolarHBondContact O-N 3.21Å
400F32.6Very low52.5Low199 Ų199115.3 Ų115.387%0.87363%0.632SS**  trans-55.8127.1160.5-89.6-98.5000107.8P398 Q402P398-F400 PolarHBondContact O-N 2.91Å; P398-F400 VanDerWaalsContact O-N 3.11Å; F400-Q402 PolarHBondContact O-N 2.84Å
401E34.4Very low54.9Low188 Ų188110.6 Ų110.688%0.87960%0.599SS**  trans-46126.1165.9-76.1174.3135.100108.7Q399 S403Q399-E401 PolarHBondContact O-N 3.21Å; E401-S403 PolarHBondContact O-N 2.88Å
402Q35.8Very low57.8Low194 Ų194104.9 Ų104.991%0.90756%0.559SS**  trans-56.4110.8170.9-76.9173.2-27.400107.5F400 E404F400-Q402 PolarHBondContact O-N 2.84Å; Q402-E404 PolarHBondContact O-N 2.73Å
403S48.4Very low59.9Low88 Ų88101.8 Ų101.862%0.61553%0.53SS*.  trans-60.1120.4171.427.80000107.9E401 T405E401-S403 PolarHBondContact O-N 2.88Å; S403-T405 PolarHBondContact O-N 3.05Å
404E62.7Low62.5Low121 Ų12194.7 Ų94.757%0.56550%0.5SS*.  trans-61.3109.7179.4-145.3171.9-179.100107.5Q402 K561Q402-E404 PolarHBondContact O-N 2.73Å; E404-K561 IonicContact OE1-NZ 3.58Å; E404-K561 PolarHBondContact OE1-NZ 3.17Å
405T76.1Confident64.9Low99 Ų9995.5 Ų95.561%0.60750%0.499SS*.  trans-89.6126.9-179.852.10000109S403S403-T405 PolarHBondContact O-N 3.05Å
406E84.4Confident67.3Low35 Ų3590 Ų9016%0.16446%0.464CS..EExtended strand (participates in β ladder)trans-112.2161-179.4-67.2179.8-178.900109.8T457 G458 Q463 Q554E406-T457 VanDerWaalsContact O-CA 3.31Å; E406-T457 WeakPolarHBondContact O-CA 2.98Å; E406-G458 PolarHBondContact N-O 2.98Å; E406-G458 VanDerWaalsContact N-O 3.08Å; E406-G458 PolarHBondContact O-N 3.29Å; E406-Q463 PolarHBondContact O-NE2 3.5Å; E406-Q554 VanDerWaalsContact OE1-CD 3.31Å; E406-Q554 PolarHBondContact OE1-NE2 3.23Å; E406-Q554 PolarHBondContact OE2-NE2 3.14Å
407T90.1Very high69.8Low55 Ų5584.2 Ų84.234%0.33743%0.426SS..EExtended strand (participates in β ladder)trans-126.6129.9175-60.80000111I455 I456 T457T407-I455 HydrophobicContact CG2-CG2 3.75Å; T407-I456 CarbonylContact C-O 3.14Å; T407-I456 WeakPolarHBondContact CA-O 3.43Å; T407-T457 WeakPolarHBondContact OG1-CG2 3.16Å; T407-T457 PolarHBondContact OG1-OG1 2.82Å
408V92.9Very high72.2Confident2 Ų276.4 Ų76.41%0.01241%0.411CS..EExtended strand (participates in β ladder)trans-118.7135.1174.1174.60000108.9I456 A490 I492 Q550V408-I456 PolarHBondContact N-O 3.38Å; V408-I456 PolarHBondContact O-N 3.48Å; V408-A490 HydrophobicContact CG1-CB 4.32Å; V408-I492 HydrophobicContact CG1-CG2 4.43Å; V408-I492 HydrophobicContact CG2-CG2 4.05Å; V408-Q550 VanDerWaalsContact CG1-NE2 3.31Å
409H94.6Very high74.4Confident24 Ų2472.2 Ų72.211%0.11139%0.386CS..EExtended strand (participates in β ladder)trans-104.3108.6174.5-66.9-179.1000109.2F411 M453 V454 A490 H491H409-F411 HydrophobicContact CB-CE2 4.37Å; H409-M453 HydrophobicContact CB-CG 3.99Å; H409-M453 HydrophobicContact CB-SD 3.81Å; H409-M453 PolarHBondContact ND1-SD 3.49Å; H409-M453 VanDerWaalsContact ND1-SD 3.44Å; H409-V454 CarbonylContact C-O 3.5Å; H409-V454 WeakPolarHBondContact CA-O 3.33Å; H409-A490 CarbonylContact O-C 3.27Å; H409-A490 WeakPolarHBondContact O-CA 3.29Å; H409-H491 HydrophobicContact CB-CB 3.94Å; H409-H491 PolarHBondContact N-O 3.38Å; H409-H491 PolarHBondContact O-N 3.14Å
410L94.9Very high77.1Confident0 Ų063 Ų630%034%0.342CS..EExtended strand (participates in β ladder)trans-101.9128.2-177.9-176.669.7000110.6I412 M453 V454 I456 Q467 I470 Y471 L488 A490L410-I412 HydrophobicContact CD2-CG2 4.27Å; L410-I412 HydrophobicContact CG-CG2 4.29Å; L410-M453 CarbonylContact O-C 3.58Å; L410-V454 HydrophobicContact CB-CB 4.42Å; L410-V454 PolarHBondContact N-O 2.98Å; L410-V454 PolarHBondContact O-N 3.07Å; L410-I456 HydrophobicContact CB-CD1 4.32Å; L410-I456 HydrophobicContact CD2-CD1 4.37Å; L410-Q467 HydrophobicContact CD2-CG 4.35Å; L410-I470 HydrophobicContact CD2-CB 4.22Å; L410-I470 HydrophobicContact CD2-CD1 4.15Å; L410-I470 HydrophobicContact CD2-CG2 3.77Å; L410-Y471 HydrophobicContact CD1-CE2 4.1Å; L410-Y471 HydrophobicContact CD2-CE2 4.42Å; L410-L488 HydrophobicContact CD1-CB 3.95Å; L410-L488 HydrophobicContact CD1-CD1 4.13Å; L410-L488 HydrophobicContact CD2-CD1 4.09Å; L410-L488 HydrophobicContact CG-CD1 4.27Å; L410-A490 HydrophobicContact CD1-CB 4.09Å
411F93.5Very high79.6Confident25 Ų2556.2 Ų56.211%0.1132%0.315CS..EExtended strand (participates in β ladder)trans-96.1118.3179-67.5-99.7000110H409 V451 R452 M453 E489 H491H409-F411 HydrophobicContact CB-CE2 4.37Å; F411-V451 HydrophobicContact CB-CB 4.49Å; F411-V451 HydrophobicContact CD1-CG2 4.17Å; F411-R452 WeakPolarHBondContact CA-O 3.35Å; F411-M453 HydrophobicContact CD1-CB 4.24Å; F411-M453 HydrophobicContact CE1-CB 3.89Å; F411-M453 HydrophobicContact CE1-CG 4.28Å; F411-M453 HydrophobicContact CE2-CG 4.35Å; F411-M453 HydrophobicContact CZ-CB 4.16Å; F411-M453 HydrophobicContact CZ-CG 4.03Å; F411-M453 HydrophobicContact CZ-SD 3.98Å; F411-E489 HydrophobicContact CB-CB 4.31Å; F411-E489 PolarHBondContact N-O 3.02Å; F411-H491 AromaticContact CD2-NE2 3.97Å; F411-H491 HydrophobicContact CE2-CB 4.05Å; F411-H491 AromaticContact CE2-CD2 3.63Å; F411-H491 AromaticContact CE2-CE1 3.28Å; F411-H491 WeakPolarHBondContact CE2-CE1 3.28Å; F411-H491 AromaticContact CE2-CG 3.46Å; F411-H491 VanDerWaalsContact CE2-CG 3.46Å; F411-H491 AromaticContact CE2-ND1 3.26Å; F411-H491 VanDerWaalsContact CE2-ND1 3.26Å; F411-H491 WeakPolarHBondContact CE2-ND1 3.44Å; F411-H491 AromaticContact CE2-NE2 3.52Å; F411-H491 AromaticContact CZ-CE1 3.44Å; F411-H491 VanDerWaalsContact CZ-CE1 3.44Å; F411-H491 WeakPolarHBondContact CZ-CE1 3.26Å; F411-H491 AromaticContact CZ-ND1 3.55Å
412I92.7Very high81.7Confident0 Ų048.3 Ų48.30%028%0.284CS..EExtended strand (participates in β ladder)trans-112.6151.917965171.7000110.5L410 A414 V417 I420 V451 R452 V454 I470 I474 L488L410-I412 HydrophobicContact CD2-CG2 4.27Å; L410-I412 HydrophobicContact CG-CG2 4.29Å; I412-A414 PolarHBondContact O-N 3.41Å; I412-V417 HydrophobicContact CD1-CB 4.47Å; I412-V417 HydrophobicContact CD1-CG2 3.67Å; I412-V417 HydrophobicContact CG1-CG2 3.94Å; I412-I420 HydrophobicContact CD1-CB 4.34Å; I412-I420 HydrophobicContact CD1-CG1 3.82Å; I412-V451 CarbonylContact O-C 3.6Å; I412-V451 VanDerWaalsContact O-CA 3.24Å; I412-V451 WeakPolarHBondContact O-CA 3.24Å; I412-R452 HydrophobicContact CG1-CB 4.46Å; I412-R452 PolarHBondContact N-O 3.47Å; I412-R452 PolarHBondContact O-N 3.23Å; I412-V454 HydrophobicContact CD1-CG2 3.63Å; I412-V454 HydrophobicContact CG1-CG2 3.81Å; I412-V454 HydrophobicContact CG2-CG2 4.09Å; I412-I470 HydrophobicContact CG2-CG2 3.75Å; I412-I474 HydrophobicContact CB-CD1 3.95Å; I412-I474 HydrophobicContact CG2-CD1 3.69Å; I412-L488 HydrophobicContact CG2-CD1 4.16Å
413P89Confident83.7Confident40 Ų4048 Ų4826%0.2628%0.279SS..EExtended strand (participates in β ladder)trans-58.2139.3173.5-19.428.6000111.2L415 S416P413-L415 PolarHBondContact O-N 2.93Å; P413-S416 VanDerWaalsContact CB-OG 3.31Å; P413-S416 WeakPolarHBondContact CB-OG 3.43Å; P413-S416 WeakPolarHBondContact CD-OG 3.44Å; P413-S416 PolarHBondContact O-N 3.17Å; P413-S416 PolarHBondContact O-OG 3.45Å
414A86.6Confident85Confident34 Ų3452.3 Ų52.328%0.28129%0.29SS..G310 helixtrans-58.7-34.3-175.700000112.8I412 S416 V417 A449 K450I412-A414 PolarHBondContact O-N 3.41Å; A414-S416 VanDerWaalsContact C-N 3.31Å; A414-S416 PolarHBondContact O-N 2.6Å; A414-V417 WeakPolarHBondContact O-CB 3.46Å; A414-V417 WeakPolarHBondContact O-CG2 3.33Å; A414-V417 PolarHBondContact O-N 3.45Å; A414-A449 WeakPolarHBondContact CB-O 3.19Å; A414-K450 PolarHBondContact N-O 3.29Å
415L85.6Confident85.7Confident143 Ų14347 Ų4775%0.74927%0.268SS*.G310 helixtrans-63.1-34.6177.6-62.8175.7000112.8P413 V417 F479P413-L415 PolarHBondContact O-N 2.93Å; L415-V417 VanDerWaalsContact C-N 3.31Å; L415-V417 PolarHBondContact O-N 3.4Å; L415-F479 HydrophobicContact CB-CD1 4.02Å; L415-F479 HydrophobicContact CB-CE1 3.98Å
416S86.1Confident85.7Confident0 Ų048.4 Ų48.40%027%0.267CS..G310 helixtrans-76-15-179.813.90000114.1P413 A414 G418 A419 I420P413-S416 VanDerWaalsContact CB-OG 3.31Å; P413-S416 WeakPolarHBondContact CB-OG 3.43Å; P413-S416 WeakPolarHBondContact CD-OG 3.44Å; P413-S416 PolarHBondContact O-N 3.17Å; P413-S416 PolarHBondContact O-OG 3.45Å; A414-S416 VanDerWaalsContact C-N 3.31Å; A414-S416 PolarHBondContact O-N 2.6Å; S416-G418 VanDerWaalsContact C-N 3.3Å; S416-G418 PolarHBondContact O-N 3.07Å; S416-A419 PolarHBondContact O-N 3.03Å; S416-A419 VanDerWaalsContact O-N 3.1Å; S416-I420 WeakPolarHBondContact O-CG1 3.42Å; S416-I420 PolarHBondContact O-N 3.48Å
417V87.1Confident85.4Confident4 Ų449.3 Ų49.32%0.02427%0.271CS..Hα-helixtrans-60.6-39.7-174.2171.50000111.8I412 A414 L415 A419 I420 I421 I441 R452I412-V417 HydrophobicContact CD1-CB 4.47Å; I412-V417 HydrophobicContact CD1-CG2 3.67Å; I412-V417 HydrophobicContact CG1-CG2 3.94Å; A414-V417 WeakPolarHBondContact O-CB 3.46Å; A414-V417 WeakPolarHBondContact O-CG2 3.33Å; A414-V417 PolarHBondContact O-N 3.45Å; L415-V417 VanDerWaalsContact C-N 3.31Å; L415-V417 PolarHBondContact O-N 3.4Å; V417-A419 VanDerWaalsContact C-N 3.31Å; V417-A419 PolarHBondContact O-N 3.44Å; V417-I420 PolarHBondContact O-N 2.88Å; V417-I421 HydrophobicContact CG1-CD1 3.59Å; V417-I421 HydrophobicContact CG1-CG1 4.22Å; V417-I421 VanDerWaalsContact O-CG1 3.28Å; V417-I421 WeakPolarHBondContact O-CG1 3.35Å; V417-I421 PolarHBondContact O-N 2.91Å; V417-I441 HydrophobicContact CG1-CD1 4.07Å; V417-I441 HydrophobicContact CG1-CG2 4.11Å; V417-R452 HydrophobicContact CG2-CB 3.61Å; V417-R452 VanDerWaalsContact CG2-CD 3.46Å; V417-R452 HydrophobicContact CG2-CG 4Å
418G83.4Confident85Confident51 Ų5147.8 Ų47.853%0.52626%0.261SS..Hα-helixtrans-60.1-40.517700000112.7S416 G422S416-G418 VanDerWaalsContact C-N 3.3Å; S416-G418 PolarHBondContact O-N 3.07Å; G418-G422 PolarHBondContact O-N 3.44Å
419A82.8Confident84.4Confident20 Ų2054.9 Ų54.917%0.16529%0.292CS..Hα-helixtrans-70.7-36.3177.400000112.5S416 V417 H427 E477 F479S416-A419 PolarHBondContact O-N 3.03Å; S416-A419 VanDerWaalsContact O-N 3.1Å; V417-A419 VanDerWaalsContact C-N 3.31Å; V417-A419 PolarHBondContact O-N 3.44Å; A419-H427 PolarHBondContact O-ND1 3.43Å; A419-E477 HydrophobicContact CB-CG 4.02Å; A419-F479 HydrophobicContact CB-CE2 4.01Å; A419-F479 HydrophobicContact CB-CZ 4.27Å
420I85.8Confident83.6Confident1 Ų158.2 Ų58.21%0.00531%0.308CS..Hα-helixtrans-68.1-40.8174.8-59.5-52.7000111.4I412 S416 V417 H427 I428 I441 I470 K473 I474I412-I420 HydrophobicContact CD1-CB 4.34Å; I412-I420 HydrophobicContact CD1-CG1 3.82Å; S416-I420 WeakPolarHBondContact O-CG1 3.42Å; S416-I420 PolarHBondContact O-N 3.48Å; V417-I420 PolarHBondContact O-N 2.88Å; I420-H427 PolarHBondContact O-ND1 2.74Å; I420-I428 PolarHBondContact O-N 3.37Å; I420-I441 HydrophobicContact CG2-CD1 4.19Å; I420-I470 HydrophobicContact CD1-CG2 4.14Å; I420-I470 HydrophobicContact CG2-CG1 4.45Å; I420-K473 HydrophobicContact CD1-CB 3.69Å; I420-K473 HydrophobicContact CD1-CG 3.79Å; I420-I474 HydrophobicContact CD1-CG1 4.24Å
421I85.6Confident82.9Confident57 Ų5758.6 Ų58.629%0.29231%0.31SS..Hα-helixtrans-69.4-45.9177.4-65.5172.4000111V417 G425 H427 I428 I441V417-I421 HydrophobicContact CG1-CD1 3.59Å; V417-I421 HydrophobicContact CG1-CG1 4.22Å; V417-I421 VanDerWaalsContact O-CG1 3.28Å; V417-I421 WeakPolarHBondContact O-CG1 3.35Å; V417-I421 PolarHBondContact O-N 2.91Å; I421-G425 CarbonylContact O-C 3.5Å; I421-G425 VanDerWaalsContact O-C 3.3Å; I421-G425 VanDerWaalsContact O-CA 3.26Å; I421-G425 WeakPolarHBondContact O-CA 3.39Å; I421-H427 WeakPolarHBondContact O-CB 3.47Å; I421-H427 PolarHBondContact O-N 3.47Å; I421-I428 HydrophobicContact CG2-CG2 4.31Å; I421-I428 PolarHBondContact O-N 3.21Å; I421-I428 VanDerWaalsContact O-N 3.1Å; I421-I441 HydrophobicContact CD1-CD1 3.95Å; I421-I441 HydrophobicContact CG1-CD1 3.44Å; I421-I441 VanDerWaalsContact CG1-CD1 3.44Å
422G78.5Confident82.3Confident22 Ų2259.1 Ų59.123%0.22732%0.316CS..  trans74.5171.3-173.500000113.6G418 Q424 G425G418-G422 PolarHBondContact O-N 3.44Å; G422-Q424 PolarHBondContact O-N 3.1Å; G422-G425 PolarHBondContact O-N 3.38Å
423K77.5Confident81.7Confident188 Ų18867.9 Ų67.982%0.81735%0.349SS*.G310 helixtrans-56.9125.4178.9-64.4179.3-178.7176.70109.9G425 Q426K423-G425 PolarHBondContact O-N 3.36Å; K423-Q426 WeakPolarHBondContact O-CB 3.32Å; K423-Q426 WeakPolarHBondContact O-CG 3.35Å; K423-Q426 PolarHBondContact O-N 3.3Å
424Q75.8Confident81.3Confident177 Ų17770.2 Ų70.283%0.82736%0.355SS*.G310 helixtrans54.221.8-176.2-57.1-179.2-3.500115.3G422 Q426G422-Q424 PolarHBondContact O-N 3.1Å; Q424-Q426 VanDerWaalsContact C-N 3.29Å; Q424-Q426 PolarHBondContact O-N 3.01Å
425G76.6Confident80.7Confident11 Ų1168.8 Ų68.811%0.11334%0.344CS..G310 helixtrans73.315.5-176.700000114.7I421 G422 K423 I428 K429I421-G425 CarbonylContact O-C 3.5Å; I421-G425 VanDerWaalsContact O-C 3.3Å; I421-G425 VanDerWaalsContact O-CA 3.26Å; I421-G425 WeakPolarHBondContact O-CA 3.39Å; G422-G425 PolarHBondContact O-N 3.38Å; K423-G425 PolarHBondContact O-N 3.36Å; G425-I428 WeakPolarHBondContact O-CG2 3.37Å; G425-K429 WeakPolarHBondContact O-CB 3.25Å; G425-K429 VanDerWaalsContact O-CG 3.26Å; G425-K429 WeakPolarHBondContact O-CG 3.36Å; G425-K429 PolarHBondContact O-N 3.26Å
426Q77.1Confident80.6Confident127 Ų12764.6 Ų64.659%0.59334%0.335SS*.Hα-helixtrans-62.6-42.5-179.5-73.7-175.40.300112.2K423 Q424 K429 Q430K423-Q426 WeakPolarHBondContact O-CB 3.32Å; K423-Q426 WeakPolarHBondContact O-CG 3.35Å; K423-Q426 PolarHBondContact O-N 3.3Å; Q424-Q426 VanDerWaalsContact C-N 3.29Å; Q424-Q426 PolarHBondContact O-N 3.01Å; Q426-K429 PolarHBondContact O-N 3.49Å; Q426-Q430 WeakPolarHBondContact O-CB 3.34Å; Q426-Q430 PolarHBondContact O-N 3.26Å
427H76.9Confident80.7Confident54 Ų5464.8 Ų64.825%0.2534%0.337CS..Hα-helixtrans-67.8-44.8-174.6-174.4-140.8000111.9A419 I420 I421 K429 Q430 L431A419-H427 PolarHBondContact O-ND1 3.43Å; I420-H427 PolarHBondContact O-ND1 2.74Å; I421-H427 WeakPolarHBondContact O-CB 3.47Å; I421-H427 PolarHBondContact O-N 3.47Å; H427-K429 PolarHBondContact O-N 2.88Å; H427-Q430 PolarHBondContact O-N 3.26Å; H427-L431 VanDerWaalsContact O-CB 3.25Å; H427-L431 WeakPolarHBondContact O-CB 3.41Å; H427-L431 PolarHBondContact O-N 3.44Å
428I81.8Confident80.8Confident24 Ų2467.3 Ų67.312%0.12335%0.354CS..Hα-helixtrans-65.8-36.2176.6-172.1166000112.8I420 I421 G425 L431 S432 I439 I441I420-I428 PolarHBondContact O-N 3.37Å; I421-I428 HydrophobicContact CG2-CG2 4.31Å; I421-I428 PolarHBondContact O-N 3.21Å; I421-I428 VanDerWaalsContact O-N 3.1Å; G425-I428 WeakPolarHBondContact O-CG2 3.37Å; I428-L431 PolarHBondContact O-N 3.4Å; I428-S432 VanDerWaalsContact O-CB 3.32Å; I428-S432 WeakPolarHBondContact O-CB 3.38Å; I428-S432 PolarHBondContact O-N 3.42Å; I428-I439 HydrophobicContact CD1-CG2 4.08Å; I428-I439 HydrophobicContact CG1-CB 4.39Å; I428-I439 HydrophobicContact CG1-CG2 4.16Å; I428-I441 HydrophobicContact CD1-CD1 3.87Å; I428-I441 HydrophobicContact CD1-CG1 3.73Å
429K80.3Confident81.2Confident151 Ų15165.5 Ų65.566%0.65733%0.332SS*.Hα-helixtrans-65-44.8175-74.5174.2-178.4175.40111.4G425 Q426 H427 S432 R433G425-K429 WeakPolarHBondContact O-CB 3.25Å; G425-K429 VanDerWaalsContact O-CG 3.26Å; G425-K429 WeakPolarHBondContact O-CG 3.36Å; G425-K429 PolarHBondContact O-N 3.26Å; Q426-K429 PolarHBondContact O-N 3.49Å; H427-K429 PolarHBondContact O-N 2.88Å; K429-S432 PolarHBondContact O-N 2.95Å; K429-R433 PolarHBondContact O-N 3.42Å
430Q77.6Confident81.6Confident94 Ų9470.9 Ų70.944%0.43935%0.352SS..Hα-helixtrans-64-44.3176.4-175.9-173.8-1300111.3Q426 H427 S432 R433 F434Q426-Q430 WeakPolarHBondContact O-CB 3.34Å; Q426-Q430 PolarHBondContact O-N 3.26Å; H427-Q430 PolarHBondContact O-N 3.26Å; Q430-S432 PolarHBondContact O-N 2.91Å; Q430-R433 PolarHBondContact O-N 3.26Å; Q430-F434 WeakPolarHBondContact O-CB 3.43Å; Q430-F434 PolarHBondContact O-N 3.09Å
431L80.9Confident81.9Confident8 Ų872.7 Ų72.74%0.04236%0.362CS..Hα-helixtrans-60.6-44.3177.3175.757.9000111.7H427 I428 R433 F434 A435 I439 R469 I470H427-L431 VanDerWaalsContact O-CB 3.25Å; H427-L431 WeakPolarHBondContact O-CB 3.41Å; H427-L431 PolarHBondContact O-N 3.44Å; I428-L431 PolarHBondContact O-N 3.4Å; L431-R433 VanDerWaalsContact C-N 3.34Å; L431-R433 PolarHBondContact O-N 2.92Å; L431-F434 PolarHBondContact O-N 3.27Å; L431-A435 VanDerWaalsContact O-CB 3.25Å; L431-A435 WeakPolarHBondContact O-CB 3.36Å; L431-A435 PolarHBondContact O-N 2.98Å; L431-I439 HydrophobicContact CB-CD1 4.41Å; L431-I439 HydrophobicContact CD1-CD1 4.49Å; L431-I439 HydrophobicContact CD2-CD1 3.88Å; L431-I439 HydrophobicContact CG-CD1 3.57Å; L431-R469 HydrophobicContact CD1-CB 3.31Å; L431-R469 HydrophobicContact CD1-CG 3.64Å; L431-R469 HydrophobicContact CD2-CB 4.48Å; L431-I470 HydrophobicContact CD2-CD1 4.43Å; L431-I470 HydrophobicContact CD2-CG1 3.86Å
432S80.1Confident82Confident36 Ų3670.7 Ų70.725%0.25235%0.354SS..Hα-helixtrans-59.3-43.7175.3176.90000111.7I428 K429 Q430 G436 A437I428-S432 VanDerWaalsContact O-CB 3.32Å; I428-S432 WeakPolarHBondContact O-CB 3.38Å; I428-S432 PolarHBondContact O-N 3.42Å; K429-S432 PolarHBondContact O-N 2.95Å; Q430-S432 PolarHBondContact O-N 2.91Å; S432-G436 PolarHBondContact O-N 3.42Å; S432-A437 WeakPolarHBondContact CA-O 3.38Å; S432-A437 WeakPolarHBondContact CB-O 3.46Å; S432-A437 PolarHBondContact O-N 2.79Å; S432-A437 PolarHBondContact OG-O 3.17Å
433R80.1Confident82.2Confident183 Ų18374.9 Ų74.969%0.69138%0.377SS*.Hα-helixtrans-66.5-43.9176.2-178.5177.9167-178.9-5.3112.9K429 Q430 L431 G436K429-R433 PolarHBondContact O-N 3.42Å; Q430-R433 PolarHBondContact O-N 3.26Å; L431-R433 VanDerWaalsContact C-N 3.34Å; L431-R433 PolarHBondContact O-N 2.92Å; R433-G436 PolarHBondContact O-N 3.26Å
434F80.9Confident82.3Confident89 Ų8967.9 Ų67.939%0.3935%0.354SS..Hα-helixtrans-65-45178.9169.2-97.1000111.9Q430 L431 G436 K465 R469Q430-F434 WeakPolarHBondContact O-CB 3.43Å; Q430-F434 PolarHBondContact O-N 3.09Å; L431-F434 PolarHBondContact O-N 3.27Å; F434-G436 VanDerWaalsContact C-N 3.29Å; F434-G436 PolarHBondContact O-N 3Å; F434-K465 HydrophobicContact CE1-CB 4.4Å; F434-R469 HydrophobicContact CD1-CG 4.24Å; F434-R469 HydrophobicContact CE1-CG 4.01Å
435A74.1Confident82.3Confident5 Ų567.6 Ų67.64%0.04135%0.353CS..Hα-helixtrans-72.1-25.9-179.800000112.2L431 A437 A462 K465 A466L431-A435 VanDerWaalsContact O-CB 3.25Å; L431-A435 WeakPolarHBondContact O-CB 3.36Å; L431-A435 PolarHBondContact O-N 2.98Å; A435-A437 HydrophobicContact CB-CB 4.08Å; A435-A462 WeakPolarHBondContact O-CA 3.1Å; A435-A462 WeakPolarHBondContact O-CB 3.28Å; A435-K465 HydrophobicContact CB-CB 4.1Å; A435-A466 HydrophobicContact CB-CB 3.82Å
436G83.9Confident82.3Confident54 Ų5469.3 Ų69.356%0.55737%0.366SS*.THydrogen-bonded Turntrans68.627.7-167.200000112S432 R433 F434S432-G436 PolarHBondContact O-N 3.42Å; R433-G436 PolarHBondContact O-N 3.26Å; F434-G436 VanDerWaalsContact C-N 3.29Å; F434-G436 PolarHBondContact O-N 3Å
437A87.1Confident81.7Confident5 Ų569.7 Ų69.74%0.04138%0.379CS..SBendtrans-121.8147.9-178.400000110.7S432 A435 I439 I456 T457 A462 A466S432-A437 WeakPolarHBondContact CA-O 3.38Å; S432-A437 WeakPolarHBondContact CB-O 3.46Å; S432-A437 PolarHBondContact O-N 2.79Å; S432-A437 PolarHBondContact OG-O 3.17Å; A435-A437 HydrophobicContact CB-CB 4.08Å; A437-I439 HydrophobicContact CB-CG1 4.29Å; A437-I456 HydrophobicContact CB-CG2 4.16Å; A437-T457 CarbonylContact C-O 3.57Å; A437-T457 WeakPolarHBondContact CA-O 3.41Å; A437-A462 HydrophobicContact CB-CB 3.93Å; A437-A466 HydrophobicContact CB-CB 4.32Å
438S90.3Very high81.5Confident56 Ų5674.1 Ų74.139%0.39241%0.405SS..EExtended strand (participates in β ladder)trans-79118.3166.3-162.70000109.1I456 T457S438-I456 WeakPolarHBondContact O-CA 3.46Å; S438-T457 PolarHBondContact N-O 2.92Å; S438-T457 PolarHBondContact O-N 3.47Å
439I92.1Very high81.4Confident13 Ų1374.3 Ų74.37%0.06741%0.41CS..EExtended strand (participates in β ladder)trans-119.7118.3-178.5-54.3171.8000108.2I428 L431 A437 V454 I455 I456 A466I428-I439 HydrophobicContact CD1-CG2 4.08Å; I428-I439 HydrophobicContact CG1-CB 4.39Å; I428-I439 HydrophobicContact CG1-CG2 4.16Å; L431-I439 HydrophobicContact CB-CD1 4.41Å; L431-I439 HydrophobicContact CD1-CD1 4.49Å; L431-I439 HydrophobicContact CD2-CD1 3.88Å; L431-I439 HydrophobicContact CG-CD1 3.57Å; A437-I439 HydrophobicContact CB-CG1 4.29Å; I439-V454 HydrophobicContact CG2-CG1 3.63Å; I439-I455 WeakPolarHBondContact CA-O 3.28Å; I439-I456 HydrophobicContact CG1-CG2 4.43Å; I439-I456 HydrophobicContact CG2-CG1 4.48Å; I439-A466 HydrophobicContact CD1-CB 3.69Å; I439-A466 HydrophobicContact CG1-CB 4.27Å
440K91Very high81.5Confident133 Ų13376 Ų7658%0.57842%0.417SS*.EExtended strand (participates in β ladder)trans-126.1141179-62.9-179.7-177.6177.10109.4V454 I455K440-V454 CarbonylContact O-C 3.59Å; K440-V454 WeakPolarHBondContact O-CA 3.38Å; K440-I455 HydrophobicContact CB-CB 4.42Å; K440-I455 PolarHBondContact N-O 3.31Å; K440-I455 PolarHBondContact O-N 3.06Å
441I90.8Very high82Confident40 Ų4075 Ų7521%0.20542%0.418CS..EExtended strand (participates in β ladder)trans-102.7124.3174-58.6-175.7000107.8V417 I420 I421 I428 V454V417-I441 HydrophobicContact CG1-CD1 4.07Å; V417-I441 HydrophobicContact CG1-CG2 4.11Å; I420-I441 HydrophobicContact CG2-CD1 4.19Å; I421-I441 HydrophobicContact CD1-CD1 3.95Å; I421-I441 HydrophobicContact CG1-CD1 3.44Å; I421-I441 VanDerWaalsContact CG1-CD1 3.44Å; I428-I441 HydrophobicContact CD1-CD1 3.87Å; I428-I441 HydrophobicContact CD1-CG1 3.73Å; I441-V454 HydrophobicContact CG1-CG1 4.32Å; I441-V454 HydrophobicContact CG1-CG2 4.22Å
442A88Confident82.5Confident15 Ų1578.7 Ų78.712%0.12443%0.431CS..PPolyproline II helixtrans-71.3150.8178.400000110.9M453A442-M453 HydrophobicContact CB-CB 4.08Å; A442-M453 HydrophobicContact CB-CE 3.65Å; A442-M453 WeakPolarHBondContact CB-O 3.48Å; A442-M453 PolarHBondContact N-O 2.98Å
443P84.2Confident83.1Confident110 Ų11078.6 Ų78.671%0.71443%0.427SS*.PPolyproline II helixtrans-57156.2168.324.5-31.5000110.6E445P443-E445 PolarHBondContact O-N 3.45Å
444A79.6Confident83.8Confident41 Ų4169.9 Ų69.934%0.33939%0.394SS..PPolyproline II helixtrans-67.6132.8177.100000109.2A446 A449A444-A446 PolarHBondContact O-N 2.84Å; A444-A449 HydrophobicContact CB-CB 4.44Å
445E74.6Confident84.4Confident170 Ų17067.9 Ų67.979%0.79439%0.387SS*.SBendtrans-67.6-26.8179.2-69.1179.9169.700112.2P443P443-E445 PolarHBondContact O-N 3.45Å
446A76.3Confident85.4Confident47 Ų4767.6 Ų67.639%0.38839%0.385SS..SBendtrans-145.7154.4175.100000110.4A444 D448 A449A444-A446 PolarHBondContact O-N 2.84Å; A446-D448 PolarHBondContact O-N 3.2Å; A446-A449 HydrophobicContact CB-CB 4.48Å; A446-A449 VanDerWaalsContact O-CB 3.26Å; A446-A449 WeakPolarHBondContact O-CB 3.43Å; A446-A449 PolarHBondContact O-N 2.89Å; A446-A449 VanDerWaalsContact O-N 3.09Å
447P65.5Low85.7Confident135 Ų13567.2 Ų67.288%0.87737%0.372SS*.THydrogen-bonded Turntrans-58.4-29.2178.319.4-29.8000113.6
448D72.3Confident85.8Confident148 Ų14867.2 Ų67.279%0.79137%0.372SS*.THydrogen-bonded Turntrans-102.118.7178.1-66.9-29.7000113.8A446 K450A446-D448 PolarHBondContact O-N 3.2Å; D448-K450 PolarHBondContact O-N 2.99Å; D448-K450 VanDerWaalsContact O-N 3.13Å
449A79.2Confident85.6Confident28 Ų2866.8 Ų66.823%0.23137%0.368CS..  trans-63.6117.2-179.400000111.3A414 A444 A446 V451A414-A449 WeakPolarHBondContact CB-O 3.19Å; A444-A449 HydrophobicContact CB-CB 4.44Å; A446-A449 HydrophobicContact CB-CB 4.48Å; A446-A449 VanDerWaalsContact O-CB 3.26Å; A446-A449 WeakPolarHBondContact O-CB 3.43Å; A446-A449 PolarHBondContact O-N 2.89Å; A446-A449 VanDerWaalsContact O-N 3.09Å; A449-V451 PolarHBondContact O-N 2.82Å
450K83.4Confident85.2Confident185 Ų18569.5 Ų69.580%0.80439%0.387SS*.SBendtrans-71.1-19.6178.4-64.8-177.1-179.8179.90113.2A414 D448A414-K450 PolarHBondContact N-O 3.29Å; D448-K450 PolarHBondContact O-N 2.99Å; D448-K450 VanDerWaalsContact O-N 3.13Å
451V88.6Confident84.9Confident75 Ų7570.2 Ų70.246%0.45539%0.392SS..EExtended strand (participates in β ladder)trans-127152.4-178.7-65.80000110.8F411 I412 A449F411-V451 HydrophobicContact CB-CB 4.49Å; F411-V451 HydrophobicContact CD1-CG2 4.17Å; I412-V451 CarbonylContact O-C 3.6Å; I412-V451 VanDerWaalsContact O-CA 3.24Å; I412-V451 WeakPolarHBondContact O-CA 3.24Å; A449-V451 PolarHBondContact O-N 2.82Å
452R90.4Very high84.7Confident85 Ų8568.5 Ų68.532%0.32138%0.384SS..EExtended strand (participates in β ladder)trans-126139.8173.8-90.2-169.1148.8146.14.1110.6F411 I412 V417F411-R452 WeakPolarHBondContact CA-O 3.35Å; I412-R452 HydrophobicContact CG1-CB 4.46Å; I412-R452 PolarHBondContact N-O 3.47Å; I412-R452 PolarHBondContact O-N 3.23Å; V417-R452 HydrophobicContact CG2-CB 3.61Å; V417-R452 VanDerWaalsContact CG2-CD 3.46Å; V417-R452 HydrophobicContact CG2-CG 4Å
453M92.3Very high84.7Confident34 Ų3468.2 Ų68.217%0.16738%0.38CS..EExtended strand (participates in β ladder)trans-84.8131.1178.9-177.5177.261.900111H409 L410 F411 A442 I455H409-M453 HydrophobicContact CB-CG 3.99Å; H409-M453 HydrophobicContact CB-SD 3.81Å; H409-M453 PolarHBondContact ND1-SD 3.49Å; H409-M453 VanDerWaalsContact ND1-SD 3.44Å; L410-M453 CarbonylContact O-C 3.58Å; F411-M453 HydrophobicContact CD1-CB 4.24Å; F411-M453 HydrophobicContact CE1-CB 3.89Å; F411-M453 HydrophobicContact CE1-CG 4.28Å; F411-M453 HydrophobicContact CE2-CG 4.35Å; F411-M453 HydrophobicContact CZ-CB 4.16Å; F411-M453 HydrophobicContact CZ-CG 4.03Å; F411-M453 HydrophobicContact CZ-SD 3.98Å; A442-M453 HydrophobicContact CB-CB 4.08Å; A442-M453 HydrophobicContact CB-CE 3.65Å; A442-M453 WeakPolarHBondContact CB-O 3.48Å; A442-M453 PolarHBondContact N-O 2.98Å; M453-I455 HydrophobicContact CE-CD1 4.25Å; M453-I455 HydrophobicContact CE-CG1 4.21Å; M453-I455 HydrophobicContact CG-CG1 4.47Å
454V94.3Very high84.9Confident0 Ų065.6 Ų65.60%036%0.357CS..EExtended strand (participates in β ladder)trans-110.5119.4171.9-172.30000107.9H409 L410 I412 I439 K440 I441 I456 I470H409-V454 CarbonylContact C-O 3.5Å; H409-V454 WeakPolarHBondContact CA-O 3.33Å; L410-V454 HydrophobicContact CB-CB 4.42Å; L410-V454 PolarHBondContact N-O 2.98Å; L410-V454 PolarHBondContact O-N 3.07Å; I412-V454 HydrophobicContact CD1-CG2 3.63Å; I412-V454 HydrophobicContact CG1-CG2 3.81Å; I412-V454 HydrophobicContact CG2-CG2 4.09Å; I439-V454 HydrophobicContact CG2-CG1 3.63Å; K440-V454 CarbonylContact O-C 3.59Å; K440-V454 WeakPolarHBondContact O-CA 3.38Å; I441-V454 HydrophobicContact CG1-CG1 4.32Å; I441-V454 HydrophobicContact CG1-CG2 4.22Å; V454-I456 HydrophobicContact CG1-CG1 4.08Å; V454-I470 HydrophobicContact CG1-CD1 4.15Å
455I94.1Very high85.1Confident46 Ų4668.2 Ų68.224%0.23636%0.361CS..EExtended strand (participates in β ladder)trans-92.2116.7178.3-54.4169.6000107.5T407 I439 K440 M453T407-I455 HydrophobicContact CG2-CG2 3.75Å; I439-I455 WeakPolarHBondContact CA-O 3.28Å; K440-I455 HydrophobicContact CB-CB 4.42Å; K440-I455 PolarHBondContact N-O 3.31Å; K440-I455 PolarHBondContact O-N 3.06Å; M453-I455 HydrophobicContact CE-CD1 4.25Å; M453-I455 HydrophobicContact CE-CG1 4.21Å; M453-I455 HydrophobicContact CG-CG1 4.47Å
456I94.6Very high85.8Confident0 Ų060.1 Ų60.10%032%0.323CS..EExtended strand (participates in β ladder)trans-115.5114.4179.9-53.9172.7000107.7T407 V408 L410 A437 S438 I439 V454 Q463 A466 Q467 I470T407-I456 CarbonylContact C-O 3.14Å; T407-I456 WeakPolarHBondContact CA-O 3.43Å; V408-I456 PolarHBondContact N-O 3.38Å; V408-I456 PolarHBondContact O-N 3.48Å; L410-I456 HydrophobicContact CB-CD1 4.32Å; L410-I456 HydrophobicContact CD2-CD1 4.37Å; A437-I456 HydrophobicContact CB-CG2 4.16Å; S438-I456 WeakPolarHBondContact O-CA 3.46Å; I439-I456 HydrophobicContact CG1-CG2 4.43Å; I439-I456 HydrophobicContact CG2-CG1 4.48Å; V454-I456 HydrophobicContact CG1-CG1 4.08Å; I456-Q463 HydrophobicContact CG2-CB 4.4Å; I456-Q463 HydrophobicContact CG2-CG 4.11Å; I456-A466 HydrophobicContact CD1-CB 4.32Å; I456-A466 HydrophobicContact CG2-CB 3.75Å; I456-Q467 HydrophobicContact CD1-CG 3.54Å; I456-I470 HydrophobicContact CD1-CD1 3.77Å
457T91.7Very high86.5Confident46 Ų4657.9 Ų57.928%0.28231%0.305SS..EExtended strand (participates in β ladder)trans-118.6129.1179.5-56.20000110.2E406 T407 A437 S438E406-T457 VanDerWaalsContact O-CA 3.31Å; E406-T457 WeakPolarHBondContact O-CA 2.98Å; T407-T457 WeakPolarHBondContact OG1-CG2 3.16Å; T407-T457 PolarHBondContact OG1-OG1 2.82Å; A437-T457 CarbonylContact C-O 3.57Å; A437-T457 WeakPolarHBondContact CA-O 3.41Å; S438-T457 PolarHBondContact N-O 2.92Å; S438-T457 PolarHBondContact O-N 3.47Å
458G88.8Confident87.5Confident5 Ų552.5 Ų52.55%0.05227%0.274CS..EExtended strand (participates in β ladder)trans163.5-179.4-17900000112.3E406 Q463E406-G458 PolarHBondContact N-O 2.98Å; E406-G458 VanDerWaalsContact N-O 3.08Å; E406-G458 PolarHBondContact O-N 3.29Å; G458-Q463 PolarHBondContact O-NE2 2.68Å
459P86.4Confident88.1Confident46 Ų4651.9 Ų51.930%0.29926%0.26SS..  trans-65.3159.9173.827.8-34.2000111.1E461 A462 Q463P459-E461 PolarHBondContact O-N 3.44Å; P459-E461 VanDerWaalsContact O-N 3.14Å; P459-A462 HydrophobicContact CG-CB 3.68Å; P459-A462 WeakPolarHBondContact O-CA 3.29Å; P459-A462 WeakPolarHBondContact O-CB 3.45Å; P459-A462 PolarHBondContact O-N 3.47Å; P459-Q463 PolarHBondContact O-N 2.9Å
460P83.4Confident88.5Confident71 Ų7150.5 Ų50.546%0.46125%0.249SC..Hα-helixtrans-53.2-39.2-176.7-29.435.7000114A462 Q463 F464P460-A462 VanDerWaalsContact C-N 3.34Å; P460-A462 PolarHBondContact O-N 2.95Å; P460-Q463 PolarHBondContact O-N 3.39Å; P460-F464 WeakPolarHBondContact O-CB 3.33Å; P460-F464 PolarHBondContact O-N 2.8Å
461E83.9Confident88.7Confident147 Ų14742.2 Ų42.269%0.68721%0.213SC*.Hα-helixtrans-64.7-36.9176.8-62.8-175.9178.900112.9P459 K465P459-E461 PolarHBondContact O-N 3.44Å; P459-E461 VanDerWaalsContact O-N 3.14Å; E461-K465 WeakPolarHBondContact O-CG 3.41Å; E461-K465 PolarHBondContact O-N 2.85Å
462A86.6Confident88.4Confident4 Ų439.9 Ų39.93%0.03320%0.204CC..Hα-helixtrans-72.9-39.9179.100000111.3A435 A437 P459 P460 K465 A466A435-A462 WeakPolarHBondContact O-CA 3.1Å; A435-A462 WeakPolarHBondContact O-CB 3.28Å; A437-A462 HydrophobicContact CB-CB 3.93Å; P459-A462 HydrophobicContact CG-CB 3.68Å; P459-A462 WeakPolarHBondContact O-CA 3.29Å; P459-A462 WeakPolarHBondContact O-CB 3.45Å; P459-A462 PolarHBondContact O-N 3.47Å; P460-A462 VanDerWaalsContact C-N 3.34Å; P460-A462 PolarHBondContact O-N 2.95Å; A462-K465 PolarHBondContact O-N 2.86Å; A462-A466 WeakPolarHBondContact O-CB 3.43Å; A462-A466 PolarHBondContact O-N 3.45Å
463Q88.9Confident87.9Confident9 Ų938 Ų384%0.04220%0.198CC..Hα-helixtrans-62.1-44.5173.4-65.7-178-400111.7E406 I456 G458 P459 P460 K465 A466 Q467E406-Q463 PolarHBondContact O-NE2 3.5Å; I456-Q463 HydrophobicContact CG2-CB 4.4Å; I456-Q463 HydrophobicContact CG2-CG 4.11Å; G458-Q463 PolarHBondContact O-NE2 2.68Å; P459-Q463 PolarHBondContact O-N 2.9Å; P460-Q463 PolarHBondContact O-N 3.39Å; Q463-K465 VanDerWaalsContact C-N 3.35Å; Q463-K465 PolarHBondContact O-N 3.35Å; Q463-A466 PolarHBondContact O-N 3.41Å; Q463-Q467 WeakPolarHBondContact O-CB 3.48Å; Q463-Q467 WeakPolarHBondContact O-CG 3.32Å; Q463-Q467 PolarHBondContact O-N 2.79Å
464F87.4Confident87.6Confident55 Ų5536.4 Ų36.424%0.24119%0.19CC..Hα-helixtrans-55.8-49.2176.2178.4-86.9000111.4L320 P460 G468 F543 Q547L320-F464 HydrophobicContact CD1-CE2 4.2Å; L320-F464 HydrophobicContact CD1-CZ 4.24Å; L320-F464 HydrophobicContact CD2-CZ 4.1Å; P460-F464 WeakPolarHBondContact O-CB 3.33Å; P460-F464 PolarHBondContact O-N 2.8Å; F464-G468 PolarHBondContact O-N 2.75Å; F464-F543 HydrophobicContact CD1-CZ 4.35Å; F464-F543 AromaticContact CD2-CZ 3.8Å; F464-F543 HydrophobicContact CD2-CZ 3.8Å; F464-F543 HydrophobicContact CE1-CE1 4.41Å; F464-F543 HydrophobicContact CE1-CZ 4.08Å; F464-F543 AromaticContact CE2-CE1 3.79Å; F464-F543 HydrophobicContact CE2-CE1 3.79Å; F464-F543 AromaticContact CE2-CZ 3.49Å; F464-F543 HydrophobicContact CE2-CZ 3.49Å; F464-F543 VanDerWaalsContact CE2-CZ 3.49Å; F464-F543 HydrophobicContact CG-CZ 4.21Å; F464-F543 AromaticContact CZ-CE1 3.71Å; F464-F543 HydrophobicContact CZ-CE1 3.71Å; F464-F543 AromaticContact CZ-CZ 3.64Å; F464-F543 HydrophobicContact CZ-CZ 3.64Å; F464-Q547 HydrophobicContact CD2-CB 4.43Å; F464-Q547 HydrophobicContact CD2-CG 3.78Å; F464-Q547 HydrophobicContact CE2-CB 4.47Å; F464-Q547 HydrophobicContact CE2-CG 3.93Å
465K84.9Confident86.9Confident96 Ų9642.9 Ų42.942%0.41722%0.218SC..Hα-helixtrans-62-45.1177.6-71.4172.7-175.4175.50111.9F434 A435 E461 A462 Q463 R469F434-K465 HydrophobicContact CE1-CB 4.4Å; A435-K465 HydrophobicContact CB-CB 4.1Å; E461-K465 WeakPolarHBondContact O-CG 3.41Å; E461-K465 PolarHBondContact O-N 2.85Å; A462-K465 PolarHBondContact O-N 2.86Å; Q463-K465 VanDerWaalsContact C-N 3.35Å; Q463-K465 PolarHBondContact O-N 3.35Å; K465-R469 WeakPolarHBondContact O-CG 3.14Å; K465-R469 PolarHBondContact O-N 2.89Å; K465-R469 VanDerWaalsContact O-N 3.14Å
466A89.4Confident86Confident0 Ų046.7 Ų46.70%024%0.235CC..Hα-helixtrans-62.5-51.5179.300000111.7A435 A437 I439 I456 A462 Q463 R469 I470A435-A466 HydrophobicContact CB-CB 3.82Å; A437-A466 HydrophobicContact CB-CB 4.32Å; I439-A466 HydrophobicContact CD1-CB 3.69Å; I439-A466 HydrophobicContact CG1-CB 4.27Å; I456-A466 HydrophobicContact CD1-CB 4.32Å; I456-A466 HydrophobicContact CG2-CB 3.75Å; A462-A466 WeakPolarHBondContact O-CB 3.43Å; A462-A466 PolarHBondContact O-N 3.45Å; Q463-A466 PolarHBondContact O-N 3.41Å; A466-R469 PolarHBondContact O-N 2.87Å; A466-I470 VanDerWaalsContact O-CG1 3.29Å; A466-I470 WeakPolarHBondContact O-CG1 3.39Å; A466-I470 PolarHBondContact O-N 3.43Å
467Q90.3Very high84.8Confident0 Ų051 Ų510%026%0.255CS..Hα-helixtrans-62-45.7178.3-69.3-178.9-75.900110.8L410 I456 Q463 R469 I470 Y471 F543 Q547L410-Q467 HydrophobicContact CD2-CG 4.35Å; I456-Q467 HydrophobicContact CD1-CG 3.54Å; Q463-Q467 WeakPolarHBondContact O-CB 3.48Å; Q463-Q467 WeakPolarHBondContact O-CG 3.32Å; Q463-Q467 PolarHBondContact O-N 2.79Å; Q467-R469 VanDerWaalsContact C-N 3.31Å; Q467-R469 PolarHBondContact O-N 3.44Å; Q467-I470 PolarHBondContact O-N 3.47Å; Q467-Y471 VanDerWaalsContact O-CD2 3.3Å; Q467-Y471 WeakPolarHBondContact O-CD2 3.29Å; Q467-Y471 PolarHBondContact O-N 2.96Å; Q467-F543 HydrophobicContact CB-CD2 4.4Å; Q467-F543 HydrophobicContact CB-CE2 3.96Å; Q467-Q547 VanDerWaalsContact CD-NE2 3.34Å
468G86.4Confident83.4Confident22 Ų2254 Ų5423%0.22727%0.27CS..Hα-helixtrans-57.4-42.9179.900000112.9F464 G472 F543F464-G468 PolarHBondContact O-N 2.75Å; G468-G472 PolarHBondContact O-N 2.68Å; G468-F543 VanDerWaalsContact N-CE2 3.25Å
469R84.4Confident82.2Confident135 Ų13557.4 Ų57.451%0.50928%0.283SS..Hα-helixtrans-67.3-37.4174.6-71.7-67.7-171.9-178.31.1113L431 F434 K465 A466 Q467 G472 K473L431-R469 HydrophobicContact CD1-CB 3.31Å; L431-R469 HydrophobicContact CD1-CG 3.64Å; L431-R469 HydrophobicContact CD2-CB 4.48Å; F434-R469 HydrophobicContact CD1-CG 4.24Å; F434-R469 HydrophobicContact CE1-CG 4.01Å; K465-R469 WeakPolarHBondContact O-CG 3.14Å; K465-R469 PolarHBondContact O-N 2.89Å; K465-R469 VanDerWaalsContact O-N 3.14Å; A466-R469 PolarHBondContact O-N 2.87Å; Q467-R469 VanDerWaalsContact C-N 3.31Å; Q467-R469 PolarHBondContact O-N 3.44Å; R469-G472 PolarHBondContact O-N 3.23Å; R469-K473 WeakPolarHBondContact O-CB 3.25Å; R469-K473 PolarHBondContact O-N 3.11Å
470I89Confident81Confident0 Ų056.9 Ų56.90%028%0.279CS..Hα-helixtrans-64.7-47.9175.9-68164000110.8L410 I412 I420 L431 V454 I456 A466 Q467 G472 K473 I474L410-I470 HydrophobicContact CD2-CB 4.22Å; L410-I470 HydrophobicContact CD2-CD1 4.15Å; L410-I470 HydrophobicContact CD2-CG2 3.77Å; I412-I470 HydrophobicContact CG2-CG2 3.75Å; I420-I470 HydrophobicContact CD1-CG2 4.14Å; I420-I470 HydrophobicContact CG2-CG1 4.45Å; L431-I470 HydrophobicContact CD2-CD1 4.43Å; L431-I470 HydrophobicContact CD2-CG1 3.86Å; V454-I470 HydrophobicContact CG1-CD1 4.15Å; I456-I470 HydrophobicContact CD1-CD1 3.77Å; A466-I470 VanDerWaalsContact O-CG1 3.29Å; A466-I470 WeakPolarHBondContact O-CG1 3.39Å; A466-I470 PolarHBondContact O-N 3.43Å; Q467-I470 PolarHBondContact O-N 3.47Å; I470-G472 PolarHBondContact O-N 2.67Å; I470-K473 PolarHBondContact O-N 3.44Å; I470-I474 HydrophobicContact CG2-CD1 3.86Å; I470-I474 VanDerWaalsContact O-CG1 3.32Å; I470-I474 WeakPolarHBondContact O-CG1 3.31Å; I470-I474 PolarHBondContact O-N 3.2Å
471Y87.8Confident79.8Confident10 Ų1056.9 Ų56.94%0.03928%0.281CS..Hα-helixtrans-59.6-45.5175.3-87.4-94.2000111.6L410 Q467 K473 I474 K475 V486 L488 G541 F543 C546L410-Y471 HydrophobicContact CD1-CE2 4.1Å; L410-Y471 HydrophobicContact CD2-CE2 4.42Å; Q467-Y471 VanDerWaalsContact O-CD2 3.3Å; Q467-Y471 WeakPolarHBondContact O-CD2 3.29Å; Q467-Y471 PolarHBondContact O-N 2.96Å; Y471-K473 PolarHBondContact O-N 3.33Å; Y471-I474 PolarHBondContact O-N 3.07Å; Y471-K475 PolarHBondContact O-N 3.49Å; Y471-K475 VanDerWaalsContact O-N 3.08Å; Y471-V486 HydrophobicContact CD1-CB 4.31Å; Y471-V486 HydrophobicContact CD1-CG1 3.92Å; Y471-V486 HydrophobicContact CE1-CG1 4.41Å; Y471-V486 WeakPolarHBondContact CE1-O 3.4Å; Y471-L488 HydrophobicContact CD1-CD1 3.84Å; Y471-L488 HydrophobicContact CD1-CG 4.08Å; Y471-L488 HydrophobicContact CD2-CD1 3.84Å; Y471-L488 HydrophobicContact CE1-CB 3.93Å; Y471-L488 HydrophobicContact CE1-CD1 3.69Å; Y471-L488 HydrophobicContact CE1-CG 3.59Å; Y471-L488 HydrophobicContact CE2-CB 4.37Å; Y471-L488 HydrophobicContact CE2-CD1 3.69Å; Y471-L488 HydrophobicContact CE2-CG 4.34Å; Y471-L488 HydrophobicContact CG-CD1 3.93Å; Y471-L488 WeakPolarHBondContact OH-CB 3.42Å; Y471-G541 PolarHBondContact OH-O 3.29Å; Y471-F543 HydrophobicContact CD1-CB 3.87Å; Y471-F543 HydrophobicContact CD2-CB 4.07Å; Y471-F543 AromaticContact CD2-CD2 3.72Å; Y471-F543 HydrophobicContact CD2-CD2 3.72Å; Y471-F543 HydrophobicContact CD2-CG 4.32Å; Y471-F543 HydrophobicContact CE1-CB 4.17Å; Y471-F543 HydrophobicContact CE2-CB 4.36Å; Y471-F543 HydrophobicContact CE2-CD2 4.06Å; Y471-F543 HydrophobicContact CG-CB 3.8Å; Y471-F543 HydrophobicContact CG-CD2 4.21Å; Y471-F543 HydrophobicContact CG-CG 4.39Å; Y471-C546 PolarHBondContact OH-SG 3.01Å
472G80.8Confident78.4Confident26 Ų2655.7 Ų55.727%0.26829%0.286SS..Hα-helixtrans-58.9-46.9176.700000112.2G468 R469 I470 I474 K475 E476G468-G472 PolarHBondContact O-N 2.68Å; R469-G472 PolarHBondContact O-N 3.23Å; I470-G472 PolarHBondContact O-N 2.67Å; G472-I474 PolarHBondContact O-N 2.83Å; G472-K475 WeakPolarHBondContact O-CB 3.47Å; G472-K475 PolarHBondContact O-N 2.97Å; G472-K475 VanDerWaalsContact O-N 3.12Å; G472-E476 WeakPolarHBondContact O-CG 3.41Å; G472-E476 PolarHBondContact O-N 3.44Å
473K81.3Confident76.8Confident45 Ų4565.7 Ų65.720%0.19633%0.329CS..Hα-helixtrans-65.2-37.2-179.4-168.469.1-175.5154.30113I420 R469 I470 Y471 K475 E476 E477I420-K473 HydrophobicContact CD1-CB 3.69Å; I420-K473 HydrophobicContact CD1-CG 3.79Å; R469-K473 WeakPolarHBondContact O-CB 3.25Å; R469-K473 PolarHBondContact O-N 3.11Å; I470-K473 PolarHBondContact O-N 3.44Å; Y471-K473 PolarHBondContact O-N 3.33Å; K473-K475 VanDerWaalsContact C-N 3.29Å; K473-K475 PolarHBondContact O-N 3.47Å; K473-E476 IonicContact NZ-OE2 2.81Å; K473-E477 VanDerWaalsContact CE-OE1 3.27Å; K473-E477 WeakPolarHBondContact CE-OE1 3.36Å; K473-E477 IonicContact NZ-OE1 2.69Å; K473-E477 PolarHBondContact NZ-OE1 2.92Å; K473-E477 VanDerWaalsContact O-CG 3.31Å; K473-E477 WeakPolarHBondContact O-CG 3.44Å; K473-E477 PolarHBondContact O-N 2.79Å
474I84.6Confident75.4Confident1 Ų171.1 Ų71.11%0.00535%0.354CS..Hα-helixtrans-66-36.1175.3-67.8165.8000110.9I412 I420 I470 Y471 G472 F479 V480 V486 L488I412-I474 HydrophobicContact CB-CD1 3.95Å; I412-I474 HydrophobicContact CG2-CD1 3.69Å; I420-I474 HydrophobicContact CD1-CG1 4.24Å; I470-I474 HydrophobicContact CG2-CD1 3.86Å; I470-I474 VanDerWaalsContact O-CG1 3.32Å; I470-I474 WeakPolarHBondContact O-CG1 3.31Å; I470-I474 PolarHBondContact O-N 3.2Å; Y471-I474 PolarHBondContact O-N 3.07Å; G472-I474 PolarHBondContact O-N 2.83Å; I474-F479 HydrophobicContact CG2-CB 4.37Å; I474-V480 HydrophobicContact CG2-CG2 4.49Å; I474-V486 HydrophobicContact CB-CG1 4.2Å; I474-V486 HydrophobicContact CG2-CG1 3.7Å; I474-V486 HydrophobicContact CG2-CG2 4.09Å; I474-L488 HydrophobicContact CD1-CD1 3.84Å; I474-L488 HydrophobicContact CD1-CD2 4.12Å
475K79.6Confident74.5Confident136 Ų13673.1 Ų73.159%0.59136%0.364SS*.Hα-helixtrans-69.1-44.6177.2-170.9177.4179.3176.80112.3Y471 G472 K473 E477 N478 V486Y471-K475 PolarHBondContact O-N 3.49Å; Y471-K475 VanDerWaalsContact O-N 3.08Å; G472-K475 WeakPolarHBondContact O-CB 3.47Å; G472-K475 PolarHBondContact O-N 2.97Å; G472-K475 VanDerWaalsContact O-N 3.12Å; K473-K475 VanDerWaalsContact C-N 3.29Å; K473-K475 PolarHBondContact O-N 3.47Å; K475-E477 VanDerWaalsContact C-N 3.34Å; K475-E477 PolarHBondContact O-N 3.47Å; K475-N478 PolarHBondContact O-N 2.98Å; K475-V486 HydrophobicContact CB-CG2 3.78Å; K475-V486 HydrophobicContact CG-CG2 4.27Å
476E74.7Confident74.4Confident127 Ų12768.9 Ų68.959%0.59335%0.346SS*.Hα-helixtrans-61.5-39.1-178.8-75.4168.4-16900113.2G472 K473 N478G472-E476 WeakPolarHBondContact O-CG 3.41Å; G472-E476 PolarHBondContact O-N 3.44Å; K473-E476 IonicContact NZ-OE2 2.81Å; E476-N478 PolarHBondContact O-N 3.02Å; E476-N478 PolarHBondContact O-ND2 2.73Å
477E70.8Confident74.3Confident90 Ų9075.7 Ų75.742%0.42138%0.376SS..THydrogen-bonded Turntrans-83.28.2-176.1-61.2-78.416300112.6A419 K473 K475 F479A419-E477 HydrophobicContact CB-CG 4.02Å; K473-E477 VanDerWaalsContact CE-OE1 3.27Å; K473-E477 WeakPolarHBondContact CE-OE1 3.36Å; K473-E477 IonicContact NZ-OE1 2.69Å; K473-E477 PolarHBondContact NZ-OE1 2.92Å; K473-E477 VanDerWaalsContact O-CG 3.31Å; K473-E477 WeakPolarHBondContact O-CG 3.44Å; K473-E477 PolarHBondContact O-N 2.79Å; K475-E477 VanDerWaalsContact C-N 3.34Å; K475-E477 PolarHBondContact O-N 3.47Å; E477-F479 HydrophobicContact CB-CD2 3.45Å; E477-F479 VanDerWaalsContact CB-CD2 3.45Å; E477-F479 HydrophobicContact CB-CE2 3.15Å; E477-F479 HydrophobicContact CB-CG 4.49Å; E477-F479 HydrophobicContact CB-CZ 3.99Å; E477-F479 HydrophobicContact CG-CD2 4.46Å; E477-F479 HydrophobicContact CG-CE2 3.84Å; E477-F479 PolarHBondContact O-N 2.87Å; E477-F479 VanDerWaalsContact O-N 3.11Å
478N62.8Low74.4Confident109 Ų10976 Ų7658%0.58338%0.378SS*.THydrogen-bonded Turntrans5132.1178.3-63.1-76.5000114.6K475 E476 V480K475-N478 PolarHBondContact O-N 2.98Å; E476-N478 PolarHBondContact O-N 3.02Å; E476-N478 PolarHBondContact O-ND2 2.73Å; N478-V480 CarbonylContact C-O 3.58Å; N478-V480 PolarHBondContact O-N 2.88Å; N478-V480 VanDerWaalsContact O-N 3.16Å
479F62.7Low74.8Confident76 Ų7678 Ų7833%0.33338%0.381SS..SBendtrans-65.6-13.5172.7-68-69.8000112.9L415 A419 I474 E477L415-F479 HydrophobicContact CB-CD1 4.02Å; L415-F479 HydrophobicContact CB-CE1 3.98Å; A419-F479 HydrophobicContact CB-CE2 4.01Å; A419-F479 HydrophobicContact CB-CZ 4.27Å; I474-F479 HydrophobicContact CG2-CB 4.37Å; E477-F479 HydrophobicContact CB-CD2 3.45Å; E477-F479 VanDerWaalsContact CB-CD2 3.45Å; E477-F479 HydrophobicContact CB-CE2 3.15Å; E477-F479 HydrophobicContact CB-CG 4.49Å; E477-F479 HydrophobicContact CB-CZ 3.99Å; E477-F479 HydrophobicContact CG-CD2 4.46Å; E477-F479 HydrophobicContact CG-CE2 3.84Å; E477-F479 PolarHBondContact O-N 2.87Å; E477-F479 VanDerWaalsContact O-N 3.11Å
480V60.5Low75.2Confident35 Ų3571.5 Ų71.521%0.21236%0.357CS..SBendtrans-119.8144.2173.4-178.80000107.3I474 N478 E484 V486I474-V480 HydrophobicContact CG2-CG2 4.49Å; N478-V480 CarbonylContact C-O 3.58Å; N478-V480 PolarHBondContact O-N 2.88Å; N478-V480 VanDerWaalsContact O-N 3.16Å; V480-E484 HydrophobicContact CG1-CB 3.84Å; V480-E484 HydrophobicContact CG1-CG 4.01Å; V480-E484 WeakPolarHBondContact CG1-O 3.44Å; V480-V486 HydrophobicContact CB-CG2 4.3Å; V480-V486 HydrophobicContact CG2-CG2 4.02Å
481S58.8Low75.5Confident72 Ų7272.8 Ų72.850%0.50336%0.362SS..  trans-48.4138.7179-58.60000111K483 E484S481-K483 PolarHBondContact O-N 2.88Å; S481-E484 PolarHBondContact O-N 3.43Å
482P55.3Low75.7Confident122 Ų12272.5 Ų72.579%0.79236%0.361SS*.THydrogen-bonded Turntrans-62.5-11.7-174.821.5-32.5000114.7
483K52.2Low76.1Confident214 Ų21476.2 Ų76.293%0.9337%0.368SS*.THydrogen-bonded Turntrans-96-7.6174.3-66.7-175.8178.1-179.30113.8S481S481-K483 PolarHBondContact O-N 2.88Å
484E60.1Low76.5Confident122 Ų12274.1 Ų74.157%0.5736%0.358SS*.SBendtrans-114.5135.6-172.7-170.9171.9-164.700110.4V480 S481V480-E484 HydrophobicContact CG1-CB 3.84Å; V480-E484 HydrophobicContact CG1-CG 4.01Å; V480-E484 WeakPolarHBondContact CG1-O 3.44Å; S481-E484 PolarHBondContact O-N 3.43Å
485E69.2Low76.7Confident97 Ų9775.5 Ų75.545%0.45337%0.367SS..  trans-82.5140.4-176.7-161.8173.3-163.700111K487 H542E485-K487 PolarHBondContact O-N 3.43Å; E485-K487 VanDerWaalsContact O-N 3.08Å; E485-H542 HydrophobicContact CG-CB 4.21Å; E485-H542 IonicContact OE1-CD2 3.87Å; E485-H542 IonicContact OE2-CD2 3.91Å; E485-H542 PolarHBondContact OE2-CD2 3.45Å
486V82.3Confident77Confident8 Ų870.6 Ų70.65%0.04835%0.35CS..  trans-66.3111.4-179.1-179.20000109.8Y471 I474 K475 V480 L488Y471-V486 HydrophobicContact CD1-CB 4.31Å; Y471-V486 HydrophobicContact CD1-CG1 3.92Å; Y471-V486 HydrophobicContact CE1-CG1 4.41Å; Y471-V486 WeakPolarHBondContact CE1-O 3.4Å; I474-V486 HydrophobicContact CB-CG1 4.2Å; I474-V486 HydrophobicContact CG2-CG1 3.7Å; I474-V486 HydrophobicContact CG2-CG2 4.09Å; K475-V486 HydrophobicContact CB-CG2 3.78Å; K475-V486 HydrophobicContact CG-CG2 4.27Å; V480-V486 HydrophobicContact CB-CG2 4.3Å; V480-V486 HydrophobicContact CG2-CG2 4.02Å; V486-L488 HydrophobicContact CG1-CD1 4.42Å; V486-L488 HydrophobicContact CG1-CD2 3.98Å; V486-L488 HydrophobicContact CG1-CG 3.99Å
487K87.7Confident77.4Confident142 Ų14269 Ų6962%0.61734%0.342SS*.  trans-106.6128171.7-63.5177.5-175.8175.20109.4E485 G541E485-K487 PolarHBondContact O-N 3.43Å; E485-K487 VanDerWaalsContact O-N 3.08Å; K487-G541 WeakPolarHBondContact CA-O 3.26Å
488L91.3Very high78.1Confident8 Ų864.8 Ų64.84%0.04232%0.322CS..EExtended strand (participates in β ladder)trans-124.7158.6176.3-52.3174.2000109.9L410 I412 Y471 I474 V486 T540 G541L410-L488 HydrophobicContact CD1-CB 3.95Å; L410-L488 HydrophobicContact CD1-CD1 4.13Å; L410-L488 HydrophobicContact CD2-CD1 4.09Å; L410-L488 HydrophobicContact CG-CD1 4.27Å; I412-L488 HydrophobicContact CG2-CD1 4.16Å; Y471-L488 HydrophobicContact CD1-CD1 3.84Å; Y471-L488 HydrophobicContact CD1-CG 4.08Å; Y471-L488 HydrophobicContact CD2-CD1 3.84Å; Y471-L488 HydrophobicContact CE1-CB 3.93Å; Y471-L488 HydrophobicContact CE1-CD1 3.69Å; Y471-L488 HydrophobicContact CE1-CG 3.59Å; Y471-L488 HydrophobicContact CE2-CB 4.37Å; Y471-L488 HydrophobicContact CE2-CD1 3.69Å; Y471-L488 HydrophobicContact CE2-CG 4.34Å; Y471-L488 HydrophobicContact CG-CD1 3.93Å; Y471-L488 WeakPolarHBondContact OH-CB 3.42Å; I474-L488 HydrophobicContact CD1-CD1 3.84Å; I474-L488 HydrophobicContact CD1-CD2 4.12Å; V486-L488 HydrophobicContact CG1-CD1 4.42Å; V486-L488 HydrophobicContact CG1-CD2 3.98Å; V486-L488 HydrophobicContact CG1-CG 3.99Å; L488-T540 WeakPolarHBondContact O-CA 3.4Å; L488-G541 PolarHBondContact N-O 2.85Å; L488-G541 PolarHBondContact O-N 2.8Å; L488-G541 VanDerWaalsContact O-N 3.17Å
489E94.1Very high79.2Confident62 Ų6260 Ų6029%0.2930%0.298SS..EExtended strand (participates in β ladder)trans-97.4128.6174-178.2175165.800109.1F411 H491 K538 I539F411-E489 HydrophobicContact CB-CB 4.31Å; F411-E489 PolarHBondContact N-O 3.02Å; E489-H491 IonicContact OE1-CD2 2.68Å; E489-H491 IonicContact OE1-CE1 3.55Å; E489-H491 IonicContact OE1-NE2 3.57Å; E489-H491 PolarHBondContact OE1-NE2 2.91Å; E489-K538 WeakPolarHBondContact OE1-CD 3.08Å; E489-K538 IonicContact OE1-NZ 3.2Å; E489-I539 CarbonylContact C-O 3.56Å; E489-I539 WeakPolarHBondContact CA-O 3.28Å
490A94.1Very high80.4Confident0 Ų058.7 Ų58.70%031%0.306CS..EExtended strand (participates in β ladder)trans-118.1131.6175.800000109.6V408 H409 L410 I539V408-A490 HydrophobicContact CG1-CB 4.32Å; H409-A490 CarbonylContact O-C 3.27Å; H409-A490 WeakPolarHBondContact O-CA 3.29Å; L410-A490 HydrophobicContact CD1-CB 4.09Å; A490-I539 PolarHBondContact N-O 3.39Å; A490-I539 PolarHBondContact O-N 3.01Å
491H93.9Very high81.6Confident26 Ų2663.1 Ų63.112%0.1232%0.318CS..EExtended strand (participates in β ladder)trans-106.5127.1175.3-73.6-174.5000108.7H409 F411 E489 V536 V537H409-H491 HydrophobicContact CB-CB 3.94Å; H409-H491 PolarHBondContact N-O 3.38Å; H409-H491 PolarHBondContact O-N 3.14Å; F411-H491 AromaticContact CD2-NE2 3.97Å; F411-H491 HydrophobicContact CE2-CB 4.05Å; F411-H491 AromaticContact CE2-CD2 3.63Å; F411-H491 AromaticContact CE2-CE1 3.28Å; F411-H491 WeakPolarHBondContact CE2-CE1 3.28Å; F411-H491 AromaticContact CE2-CG 3.46Å; F411-H491 VanDerWaalsContact CE2-CG 3.46Å; F411-H491 AromaticContact CE2-ND1 3.26Å; F411-H491 VanDerWaalsContact CE2-ND1 3.26Å; F411-H491 WeakPolarHBondContact CE2-ND1 3.44Å; F411-H491 AromaticContact CE2-NE2 3.52Å; F411-H491 AromaticContact CZ-CE1 3.44Å; F411-H491 VanDerWaalsContact CZ-CE1 3.44Å; F411-H491 WeakPolarHBondContact CZ-CE1 3.26Å; F411-H491 AromaticContact CZ-ND1 3.55Å; E489-H491 IonicContact OE1-CD2 2.68Å; E489-H491 IonicContact OE1-CE1 3.55Å; E489-H491 IonicContact OE1-NE2 3.57Å; E489-H491 PolarHBondContact OE1-NE2 2.91Å; H491-V536 HydrophobicContact CB-CG1 3.51Å; H491-V537 WeakPolarHBondContact CA-O 3.38Å
492I92.1Very high83Confident4 Ų459.7 Ų59.72%0.02129%0.294CS..EExtended strand (participates in β ladder)trans-117.7140.6171.863.6174.5000109V408 V494 V536 V537 I539 Q550 I553V408-I492 HydrophobicContact CG1-CG2 4.43Å; V408-I492 HydrophobicContact CG2-CG2 4.05Å; I492-V494 HydrophobicContact CD1-CG1 4.36Å; I492-V494 HydrophobicContact CG1-CG1 4.29Å; I492-V536 WeakPolarHBondContact O-CA 3.43Å; I492-V537 HydrophobicContact CD1-CB 4.43Å; I492-V537 HydrophobicContact CG1-CB 3.84Å; I492-V537 PolarHBondContact N-O 3.42Å; I492-V537 PolarHBondContact O-N 2.77Å; I492-I539 HydrophobicContact CD1-CD1 3.81Å; I492-I539 HydrophobicContact CG1-CD1 4.16Å; I492-I539 HydrophobicContact CG2-CD1 4.44Å; I492-Q550 HydrophobicContact CG2-CG 4.12Å; I492-I553 HydrophobicContact CD1-CB 3.84Å; I492-I553 HydrophobicContact CD1-CD1 3.74Å; I492-I553 HydrophobicContact CD1-CG1 4.39Å; I492-I553 HydrophobicContact CD1-CG2 3.51Å
493R89.2Confident84.6Confident105 Ų10556 Ų5640%0.39627%0.267SS..EExtended strand (participates in β ladder)trans-89.7129.6176.2-59.1-171.2-175.1-160.43.9109.4D530 Q534R493-D530 IonicContact CZ-OD2 2.8Å; R493-D530 IonicContact NH1-OD2 2.68Å; R493-D530 PolarHBondContact NH1-OD2 3.23Å; R493-Q534 HydrophobicContact CB-CB 4.18Å; R493-Q534 VanDerWaalsContact CD-OE1 3.24Å
494V90.1Very high86.3Confident0 Ų046.4 Ų46.40%023%0.23CC..EExtended strand (participates in β ladder)trans-125.5142177.4-53.40000109.1I492 S496 A499 Q534 V535 V537 I553 L557I492-V494 HydrophobicContact CD1-CG1 4.36Å; I492-V494 HydrophobicContact CG1-CG1 4.29Å; V494-S496 PolarHBondContact O-N 2.72Å; V494-A499 HydrophobicContact CG2-CB 4.05Å; V494-Q534 CarbonylContact O-C 3.39Å; V494-Q534 VanDerWaalsContact O-CA 3.28Å; V494-Q534 WeakPolarHBondContact O-CA 3.4Å; V494-V535 HydrophobicContact CG2-CG2 3.56Å; V494-V535 PolarHBondContact N-O 2.87Å; V494-V535 PolarHBondContact O-N 2.91Å; V494-V537 HydrophobicContact CB-CG2 4.38Å; V494-V537 HydrophobicContact CG1-CG2 3.76Å; V494-V537 HydrophobicContact CG2-CG2 3.62Å; V494-I553 HydrophobicContact CG1-CG2 3.99Å; V494-L557 HydrophobicContact CB-CD1 4.23Å; V494-L557 HydrophobicContact CB-CD2 4.1Å; V494-L557 HydrophobicContact CG1-CD1 3.94Å; V494-L557 HydrophobicContact CG1-CD2 4.35Å
495P88.3Confident87.6Confident30 Ų3050 Ų5020%0.19524%0.243CC..EExtended strand (participates in β ladder)trans-56138.5174.3-2332.4000111.3F497 A498 A499P495-F497 HydrophobicContact CB-CD1 3.59Å; P495-F497 HydrophobicContact CB-CE1 3.2Å; P495-F497 HydrophobicContact CB-CE2 4.3Å; P495-F497 HydrophobicContact CB-CG 4.31Å; P495-F497 HydrophobicContact CB-CZ 3.6Å; P495-F497 HydrophobicContact CG-CE1 4.06Å; P495-F497 HydrophobicContact CG-CZ 4.06Å; P495-F497 PolarHBondContact O-N 3.15Å; P495-A498 HydrophobicContact CB-CB 4.3Å; P495-A498 WeakPolarHBondContact O-CA 3.34Å; P495-A498 WeakPolarHBondContact O-CB 3.25Å; P495-A498 PolarHBondContact O-N 2.79Å; P495-A499 PolarHBondContact O-N 3.32Å; P495-A499 VanDerWaalsContact O-N 3.07Å
496S85.9Confident88.3Confident33 Ų3349.4 Ų49.423%0.23126%0.264CS..Hα-helixtrans-55.3-40.7-175.770.10000111.7V494 A498 A499 D533V494-S496 PolarHBondContact O-N 2.72Å; S496-A498 VanDerWaalsContact C-N 3.25Å; S496-A498 PolarHBondContact O-N 3.37Å; S496-A499 WeakPolarHBondContact O-CB 3.36Å; S496-A499 PolarHBondContact O-N 3.4Å; S496-D533 WeakPolarHBondContact CB-O 3.41Å; S496-D533 VanDerWaalsContact CB-OD1 3.29Å; S496-D533 WeakPolarHBondContact CB-OD1 3.19Å; S496-D533 PolarHBondContact N-O 3.28Å; S496-D533 PolarHBondContact OG-O 3.2Å; S496-D533 PolarHBondContact OG-OD1 3.33Å; S496-D533 PolarHBondContact OG-OD2 2.86Å; S496-D533 VanDerWaalsContact OG-OD2 3.07Å
497F84.2Confident88.5Confident95 Ų9549.5 Ų49.542%0.41727%0.266SS..Hα-helixtrans-64.5-25.8176.469.3-98.1000113.8P495 V560 Q564P495-F497 HydrophobicContact CB-CD1 3.59Å; P495-F497 HydrophobicContact CB-CE1 3.2Å; P495-F497 HydrophobicContact CB-CE2 4.3Å; P495-F497 HydrophobicContact CB-CG 4.31Å; P495-F497 HydrophobicContact CB-CZ 3.6Å; P495-F497 HydrophobicContact CG-CE1 4.06Å; P495-F497 HydrophobicContact CG-CZ 4.06Å; P495-F497 PolarHBondContact O-N 3.15Å; F497-V560 HydrophobicContact CD2-CG1 3.96Å; F497-V560 HydrophobicContact CE2-CG1 3.68Å; F497-Q564 VanDerWaalsContact CE2-OE1 3.3Å
498A86Confident88.4Confident1 Ų150.3 Ų50.31%0.00827%0.27CS..Hα-helixtrans-91.1-20.4179.200000112.4P495 S496 G500 R501 V502 L557 V560P495-A498 HydrophobicContact CB-CB 4.3Å; P495-A498 WeakPolarHBondContact O-CA 3.34Å; P495-A498 WeakPolarHBondContact O-CB 3.25Å; P495-A498 PolarHBondContact O-N 2.79Å; S496-A498 VanDerWaalsContact C-N 3.25Å; S496-A498 PolarHBondContact O-N 3.37Å; A498-G500 VanDerWaalsContact C-N 3.3Å; A498-G500 PolarHBondContact O-N 2.8Å; A498-R501 WeakPolarHBondContact O-CA 3.46Å; A498-R501 WeakPolarHBondContact O-CB 3.41Å; A498-R501 PolarHBondContact O-N 2.75Å; A498-V502 PolarHBondContact O-N 3.45Å; A498-V502 VanDerWaalsContact O-N 3.16Å; A498-L557 HydrophobicContact CB-CD2 3.47Å; A498-L557 VanDerWaalsContact CB-CD2 3.47Å; A498-V560 HydrophobicContact CB-CG1 4.15Å
499A86.3Confident88.2Confident9 Ų951.9 Ų51.97%0.07428%0.279CS..Hα-helixtrans-56.7-41-179.300000112.9V494 P495 S496 R501 V502 I503 V535V494-A499 HydrophobicContact CG2-CB 4.05Å; P495-A499 PolarHBondContact O-N 3.32Å; P495-A499 VanDerWaalsContact O-N 3.07Å; S496-A499 WeakPolarHBondContact O-CB 3.36Å; S496-A499 PolarHBondContact O-N 3.4Å; A499-R501 PolarHBondContact O-N 3.05Å; A499-V502 WeakPolarHBondContact O-CB 3.42Å; A499-V502 PolarHBondContact O-N 3.4Å; A499-V502 VanDerWaalsContact O-N 3.11Å; A499-I503 WeakPolarHBondContact O-CG1 3.43Å; A499-I503 PolarHBondContact O-N 3.35Å; A499-V535 HydrophobicContact CB-CG2 3.4Å
500G86.3Confident88Confident48 Ų4849.6 Ų49.650%0.49527%0.27SS..Hα-helixtrans-60.8-29.2175.800000113.5A498 G504A498-G500 VanDerWaalsContact C-N 3.3Å; A498-G500 PolarHBondContact O-N 2.8Å; G500-G504 PolarHBondContact O-N 3.01Å
501R87.4Confident87.6Confident128 Ų12854 Ų5448%0.48329%0.293SS..Hα-helixtrans-77.8-34.3175.3-67.6-68.1-62.5-91.8-3.5112.4A498 A499 I503 G504 I556 V560A498-R501 WeakPolarHBondContact O-CA 3.46Å; A498-R501 WeakPolarHBondContact O-CB 3.41Å; A498-R501 PolarHBondContact O-N 2.75Å; A499-R501 PolarHBondContact O-N 3.05Å; R501-I503 VanDerWaalsContact C-N 3.33Å; R501-G504 PolarHBondContact O-N 3.01Å; R501-I556 HydrophobicContact CB-CG2 4.02Å; R501-V560 HydrophobicContact CB-CG2 3.98Å; R501-V560 HydrophobicContact CG-CG2 3.86Å
502V87.2Confident87.2Confident0 Ų058.1 Ų58.10%031%0.313CS..Hα-helixtrans-63.9-40.4172.1178.70000110.6A498 A499 V510 L513 V523 V537 I553 I556 L557A498-V502 PolarHBondContact O-N 3.45Å; A498-V502 VanDerWaalsContact O-N 3.16Å; A499-V502 WeakPolarHBondContact O-CB 3.42Å; A499-V502 PolarHBondContact O-N 3.4Å; A499-V502 VanDerWaalsContact O-N 3.11Å; V502-V510 PolarHBondContact O-N 2.95Å; V502-L513 HydrophobicContact CG1-CD1 4.2Å; V502-V523 HydrophobicContact CG1-CG2 4.32Å; V502-V537 HydrophobicContact CG1-CG2 4.48Å; V502-I553 HydrophobicContact CG1-CD1 4.42Å; V502-I553 HydrophobicContact CG1-CG1 4.02Å; V502-I553 HydrophobicContact CG1-CG2 4.25Å; V502-I553 HydrophobicContact CG2-CG2 4Å; V502-I556 HydrophobicContact CG2-CG2 4.07Å; V502-L557 HydrophobicContact CG2-CD2 4.38Å
503I89Confident86.8Confident43 Ų4358.2 Ų58.222%0.22131%0.313CS..Hα-helixtrans-68.6-47.5174.7-61.3167.2000111.1A499 R501 G507 T509 V510 V523A499-I503 WeakPolarHBondContact O-CG1 3.43Å; A499-I503 PolarHBondContact O-N 3.35Å; R501-I503 VanDerWaalsContact C-N 3.33Å; I503-G507 CarbonylContact O-C 3.58Å; I503-G507 VanDerWaalsContact O-C 3.27Å; I503-G507 VanDerWaalsContact O-CA 3.29Å; I503-G507 WeakPolarHBondContact O-CA 3.41Å; I503-T509 PolarHBondContact O-N 3.26Å; I503-V510 HydrophobicContact CG2-CG1 4.45Å; I503-V510 PolarHBondContact O-N 3.47Å; I503-V523 HydrophobicContact CD1-CB 3.98Å; I503-V523 HydrophobicContact CD1-CG1 3.82Å; I503-V523 HydrophobicContact CG1-CB 3.76Å; I503-V523 HydrophobicContact CG1-CG1 3.97Å; I503-V523 HydrophobicContact CG1-CG2 3.82Å
504G87.1Confident86.6Confident14 Ų1455.8 Ų55.814%0.14431%0.306CS..  trans78.1165.3-175.500000113.8G500 R501 G506 G507 T509G500-G504 PolarHBondContact O-N 3.01Å; R501-G504 PolarHBondContact O-N 3.01Å; G504-G506 PolarHBondContact O-N 3.5Å; G504-G506 VanDerWaalsContact O-N 3.09Å; G504-G507 PolarHBondContact O-N 3.44Å; G504-T509 WeakPolarHBondContact CA-OG1 3.48Å
505K87.2Confident86.2Confident196 Ų19661.7 Ų61.785%0.85234%0.338SS*.G310 helixtrans-60.5115.4-179.4-66.8-176.5-179.9-178.30110.2G507 K508K505-G507 VanDerWaalsContact C-N 3.26Å; K505-G507 PolarHBondContact O-N 3.18Å; K505-K508 WeakPolarHBondContact O-CG 3.34Å; K505-K508 PolarHBondContact O-N 2.89Å
506G84.3Confident85.8Confident86 Ų8665.4 Ų65.489%0.88736%0.355SS*.G310 helixtrans6622.9-177.600000114.4G504 K508G504-G506 PolarHBondContact O-N 3.5Å; G504-G506 VanDerWaalsContact O-N 3.09Å; G506-K508 VanDerWaalsContact C-N 3.31Å; G506-K508 PolarHBondContact O-N 3.24Å
507G86.3Confident85.5Confident9 Ų964.1 Ų64.19%0.09335%0.347CS..G310 helixtrans78.68-178.800000114.8I503 G504 K505 T509 V510 N511I503-G507 CarbonylContact O-C 3.58Å; I503-G507 VanDerWaalsContact O-C 3.27Å; I503-G507 VanDerWaalsContact O-CA 3.29Å; I503-G507 WeakPolarHBondContact O-CA 3.41Å; G504-G507 PolarHBondContact O-N 3.44Å; K505-G507 VanDerWaalsContact C-N 3.26Å; K505-G507 PolarHBondContact O-N 3.18Å; G507-T509 VanDerWaalsContact C-N 3.34Å; G507-T509 PolarHBondContact O-N 2.73Å; G507-V510 WeakPolarHBondContact O-CG1 3.49Å; G507-V510 PolarHBondContact O-N 3.3Å; G507-N511 WeakPolarHBondContact O-CB 3.4Å; G507-N511 PolarHBondContact O-N 2.75Å; G507-N511 PolarHBondContact O-OD1 3.21Å
508K87.1Confident85.5Confident160 Ų16062.6 Ų62.670%0.69635%0.348SS*.Hα-helixtrans-59.4-41.2-176.7-74-177.5179.5-175.50113.4K505 G506 N511 E512K505-K508 WeakPolarHBondContact O-CG 3.34Å; K505-K508 PolarHBondContact O-N 2.89Å; G506-K508 VanDerWaalsContact C-N 3.31Å; G506-K508 PolarHBondContact O-N 3.24Å; K508-N511 PolarHBondContact O-N 3.38Å; K508-E512 WeakPolarHBondContact O-CB 3.08Å; K508-E512 PolarHBondContact O-N 2.94Å
509T86.9Confident85.4Confident40 Ų4062.8 Ų62.825%0.24535%0.349CS..Hα-helixtrans-71.5-41.1-177.4-56.10000111.1I503 G504 G507 E512 L513 I556I503-T509 PolarHBondContact O-N 3.26Å; G504-T509 WeakPolarHBondContact CA-OG1 3.48Å; G507-T509 VanDerWaalsContact C-N 3.34Å; G507-T509 PolarHBondContact O-N 2.73Å; T509-E512 PolarHBondContact O-N 3.36Å; T509-L513 HydrophobicContact CG2-CD1 4.39Å; T509-L513 WeakPolarHBondContact O-CB 3.48Å; T509-L513 VanDerWaalsContact O-CG 3.31Å; T509-L513 WeakPolarHBondContact O-CG 3.42Å; T509-L513 PolarHBondContact O-N 2.91Å; T509-I556 HydrophobicContact CG2-CD1 3.72Å
510V89Confident85.6Confident15 Ų1567.8 Ų67.89%0.09137%0.371CS..Hα-helixtrans-68.3-35.1174.270.10000112.1V502 I503 G507 L513 Q514 V521V502-V510 PolarHBondContact O-N 2.95Å; I503-V510 HydrophobicContact CG2-CG1 4.45Å; I503-V510 PolarHBondContact O-N 3.47Å; G507-V510 WeakPolarHBondContact O-CG1 3.49Å; G507-V510 PolarHBondContact O-N 3.3Å; V510-L513 WeakPolarHBondContact O-CB 3.43Å; V510-L513 PolarHBondContact O-N 2.83Å; V510-Q514 VanDerWaalsContact O-CG 3.25Å; V510-Q514 WeakPolarHBondContact O-CG 3.12Å; V510-Q514 PolarHBondContact O-N 3.3Å; V510-Q514 PolarHBondContact O-NE2 3.22Å; V510-V521 HydrophobicContact CG2-CB 3.88Å; V510-V521 HydrophobicContact CG2-CG1 3.79Å; V510-V521 VanDerWaalsContact CG2-O 3.29Å; V510-V521 WeakPolarHBondContact CG2-O 3.5Å
511N86.3Confident85.8Confident92 Ų9265.7 Ų65.749%0.49235%0.348SS..Hα-helixtrans-66.5-39.8173.1-78.823.5000111.9G507 K508 Q514 N515G507-N511 WeakPolarHBondContact O-CB 3.4Å; G507-N511 PolarHBondContact O-N 2.75Å; G507-N511 PolarHBondContact O-OD1 3.21Å; K508-N511 PolarHBondContact O-N 3.38Å; N511-Q514 PolarHBondContact O-N 2.94Å; N511-N515 WeakPolarHBondContact O-CB 3.29Å; N511-N515 PolarHBondContact O-N 3.4Å; N511-N515 PolarHBondContact O-ND2 3.43Å
512E84.9Confident86Confident113 Ų11362.5 Ų62.553%0.52834%0.343SS..Hα-helixtrans-64.3-42.8174-176.1175.9-169.700111.5K508 T509 Q514 N515 L516K508-E512 WeakPolarHBondContact O-CB 3.08Å; K508-E512 PolarHBondContact O-N 2.94Å; T509-E512 PolarHBondContact O-N 3.36Å; E512-Q514 VanDerWaalsContact C-N 3.34Å; E512-Q514 PolarHBondContact O-N 3.36Å; E512-N515 PolarHBondContact O-N 2.86Å; E512-L516 HydrophobicContact CG-CD1 3.86Å; E512-L516 HydrophobicContact CG-CG 4.32Å; E512-L516 WeakPolarHBondContact O-CB 3.38Å; E512-L516 VanDerWaalsContact O-CG 3.29Å; E512-L516 WeakPolarHBondContact O-CG 3.21Å; E512-L516 PolarHBondContact O-N 2.98Å
513L84.4Confident86Confident5 Ų563.3 Ų63.33%0.02635%0.348CS..Hα-helixtrans-56-48.3173.3-81.2165.4000111.5V502 T509 V510 L516 S517 K552 I553 I556V502-L513 HydrophobicContact CG1-CD1 4.2Å; T509-L513 HydrophobicContact CG2-CD1 4.39Å; T509-L513 WeakPolarHBondContact O-CB 3.48Å; T509-L513 VanDerWaalsContact O-CG 3.31Å; T509-L513 WeakPolarHBondContact O-CG 3.42Å; T509-L513 PolarHBondContact O-N 2.91Å; V510-L513 WeakPolarHBondContact O-CB 3.43Å; V510-L513 PolarHBondContact O-N 2.83Å; L513-L516 PolarHBondContact O-N 2.97Å; L513-S517 VanDerWaalsContact O-CB 3.26Å; L513-S517 WeakPolarHBondContact O-CB 3.21Å; L513-S517 PolarHBondContact O-N 2.84Å; L513-S517 PolarHBondContact O-OG 3.33Å; L513-K552 HydrophobicContact CD2-CB 3.38Å; L513-K552 HydrophobicContact CD2-CG 3.29Å; L513-K552 HydrophobicContact CG-CG 4.44Å; L513-I553 HydrophobicContact CD1-CG1 3.94Å; L513-I553 HydrophobicContact CD2-CG1 4.23Å; L513-I556 HydrophobicContact CD1-CD1 4.12Å
514Q85.4Confident85.7Confident54 Ų5463.3 Ų63.325%0.25235%0.351SS..Hα-helixtrans-64.5-43178.2-70179.582.100111.6V510 N511 E512 L516 S518 A519 V521V510-Q514 VanDerWaalsContact O-CG 3.25Å; V510-Q514 WeakPolarHBondContact O-CG 3.12Å; V510-Q514 PolarHBondContact O-N 3.3Å; V510-Q514 PolarHBondContact O-NE2 3.22Å; N511-Q514 PolarHBondContact O-N 2.94Å; E512-Q514 VanDerWaalsContact C-N 3.34Å; E512-Q514 PolarHBondContact O-N 3.36Å; Q514-L516 PolarHBondContact O-N 2.73Å; Q514-S518 VanDerWaalsContact O-CA 3.25Å; Q514-S518 WeakPolarHBondContact O-CA 3.38Å; Q514-S518 PolarHBondContact O-N 3.08Å; Q514-A519 WeakPolarHBondContact CA-O 3.49Å; Q514-A519 WeakPolarHBondContact CB-O 3.4Å; Q514-A519 VanDerWaalsContact CG-O 3.31Å; Q514-A519 WeakPolarHBondContact CG-O 3.38Å; Q514-V521 HydrophobicContact CG-CB 3.79Å; Q514-V521 HydrophobicContact CG-CG2 3.95Å; Q514-V521 PolarHBondContact NE2-O 3.02Å
515N80.3Confident84.8Confident125 Ų12573 Ų7367%0.66838%0.383SS*.Hα-helixtrans-64.6-39.8178.1-74.8-13.2000113N511 E512N511-N515 WeakPolarHBondContact O-CB 3.29Å; N511-N515 PolarHBondContact O-N 3.4Å; N511-N515 PolarHBondContact O-ND2 3.43Å; E512-N515 PolarHBondContact O-N 2.86Å
516L80.7Confident83.9Confident107 Ų10771.4 Ų71.456%0.5638%0.384SS*.Hα-helixtrans-76-40-179.3-71.7173.9000112.4E512 L513 Q514E512-L516 HydrophobicContact CG-CD1 3.86Å; E512-L516 HydrophobicContact CG-CG 4.32Å; E512-L516 WeakPolarHBondContact O-CB 3.38Å; E512-L516 VanDerWaalsContact O-CG 3.29Å; E512-L516 WeakPolarHBondContact O-CG 3.21Å; E512-L516 PolarHBondContact O-N 2.98Å; L513-L516 PolarHBondContact O-N 2.97Å; Q514-L516 PolarHBondContact O-N 2.73Å
517S79.9Confident83.3Confident7 Ų770.4 Ų70.45%0.04936%0.356CS..Hα-helixtrans-88.5-21.3-175.964.30000113.4L513 A519 A545L513-S517 VanDerWaalsContact O-CB 3.26Å; L513-S517 WeakPolarHBondContact O-CB 3.21Å; L513-S517 PolarHBondContact O-N 2.84Å; L513-S517 PolarHBondContact O-OG 3.33Å; S517-A519 PolarHBondContact O-N 3.47Å; S517-A519 VanDerWaalsContact O-N 3.14Å; S517-A519 WeakPolarHBondContact OG-CB 3.31Å; S517-A519 PolarHBondContact OG-N 3.42Å; S517-A519 VanDerWaalsContact OG-N 3.09Å; S517-A545 WeakPolarHBondContact CB-O 3.28Å; S517-A545 WeakPolarHBondContact O-CA 3.47Å; S517-A545 WeakPolarHBondContact O-CB 3.37Å
518S83.2Confident82.6Confident63 Ų6376 Ų7644%0.44139%0.389SS..  trans56.413.1-163.4-51.70000113.9Q514Q514-S518 VanDerWaalsContact O-CA 3.25Å; Q514-S518 WeakPolarHBondContact O-CA 3.38Å; Q514-S518 PolarHBondContact O-N 3.08Å
519A84.9Confident82.1Confident4 Ų471.4 Ų71.43%0.03338%0.375CS..  trans-84.8148.7169.100000109.2Q514 S517 V521 I539 T540 A545 A549Q514-A519 WeakPolarHBondContact CA-O 3.49Å; Q514-A519 WeakPolarHBondContact CB-O 3.4Å; Q514-A519 VanDerWaalsContact CG-O 3.31Å; Q514-A519 WeakPolarHBondContact CG-O 3.38Å; S517-A519 PolarHBondContact O-N 3.47Å; S517-A519 VanDerWaalsContact O-N 3.14Å; S517-A519 WeakPolarHBondContact OG-CB 3.31Å; S517-A519 PolarHBondContact OG-N 3.42Å; S517-A519 VanDerWaalsContact OG-N 3.09Å; A519-V521 HydrophobicContact CB-CG2 4.24Å; A519-I539 HydrophobicContact CB-CG2 3.86Å; A519-T540 WeakPolarHBondContact CA-O 3.4Å; A519-A545 HydrophobicContact CB-CB 3.85Å; A519-A549 HydrophobicContact CB-CB 4.04Å
520E89.6Confident81.8Confident114 Ų11471.8 Ų71.853%0.53338%0.376SS..EExtended strand (participates in β ladder)trans-78.7123162.1-172.6-178.8174.100108.3V522 I539 T540E520-V522 HydrophobicContact CG-CG2 4.11Å; E520-I539 CarbonylContact O-C 3.51Å; E520-I539 WeakPolarHBondContact O-CA 3.36Å; E520-T540 PolarHBondContact N-O 3.13Å; E520-T540 PolarHBondContact O-N 3.44Å
521V91.3Very high81.2Confident4 Ų480.7 Ų80.72%0.02442%0.416CS..EExtended strand (participates in β ladder)trans-121.1113.7-178.3-175.80000108.6V510 Q514 A519 V537 K538 I539 A549 I553V510-V521 HydrophobicContact CG2-CB 3.88Å; V510-V521 HydrophobicContact CG2-CG1 3.79Å; V510-V521 VanDerWaalsContact CG2-O 3.29Å; V510-V521 WeakPolarHBondContact CG2-O 3.5Å; Q514-V521 HydrophobicContact CG-CB 3.79Å; Q514-V521 HydrophobicContact CG-CG2 3.95Å; Q514-V521 PolarHBondContact NE2-O 3.02Å; A519-V521 HydrophobicContact CB-CG2 4.24Å; V521-V537 HydrophobicContact CG1-CG1 3.77Å; V521-K538 CarbonylContact C-O 3.57Å; V521-K538 WeakPolarHBondContact CA-O 3.31Å; V521-I539 HydrophobicContact CG1-CG1 4.49Å; V521-I539 HydrophobicContact CG2-CG2 4.48Å; V521-A549 HydrophobicContact CG2-CB 4.05Å; V521-I553 HydrophobicContact CG1-CD1 4.17Å
522V90.7Very high80.8Confident61 Ų6181.5 Ų81.537%0.3742%0.421SS..EExtended strand (participates in β ladder)trans-118.6125.4-177.6-177.50000109.2E520 P524 K538E520-V522 HydrophobicContact CG-CG2 4.11Å; V522-P524 WeakPolarHBondContact O-CD 3.36Å; V522-K538 HydrophobicContact CB-CB 4.37Å; V522-K538 PolarHBondContact N-O 3.01Å; V522-K538 PolarHBondContact O-N 3.02Å
523V88.1Confident80.7Confident18 Ų1879.9 Ų79.911%0.10942%0.416CS..  trans-10998.3169.2-169.60000107.2V502 I503 R525 V537V502-V523 HydrophobicContact CG1-CG2 4.32Å; I503-V523 HydrophobicContact CD1-CB 3.98Å; I503-V523 HydrophobicContact CD1-CG1 3.82Å; I503-V523 HydrophobicContact CG1-CB 3.76Å; I503-V523 HydrophobicContact CG1-CG1 3.97Å; I503-V523 HydrophobicContact CG1-CG2 3.82Å; V523-R525 PolarHBondContact O-N 3.39Å; V523-V537 HydrophobicContact CG1-CG2 4.39Å; V523-V537 HydrophobicContact CG2-CB 4.5Å; V523-V537 HydrophobicContact CG2-CG1 3.96Å; V523-V537 HydrophobicContact CG2-CG2 4.01Å
524P81.6Confident80.8Confident43 Ų4382.4 Ų82.428%0.27943%0.428SS..  trans-59.6128.4179.8-18.525.3000111V522 Q527 K538V522-P524 WeakPolarHBondContact O-CD 3.36Å; P524-Q527 HydrophobicContact CB-CG 4.09Å; P524-Q527 VanDerWaalsContact CB-NE2 3.29Å; P524-Q527 PolarHBondContact O-NE2 3.09Å; P524-K538 HydrophobicContact CG-CD 4.27Å
525R68.4Low81Confident217 Ų21780.6 Ų80.682%0.81942%0.42SS*.THydrogen-bonded Turntrans-79.2-23.1-170.8-64.1-178-177.5179.32.3114V523V523-R525 PolarHBondContact O-N 3.39Å
526D69.7Low81.4Confident163 Ų16376.2 Ų76.287%0.87240%0.398SS*.THydrogen-bonded Turntrans-103.924.3-174-53.8-46.8000113.2
527Q71.1Confident82Confident64 Ų6471.1 Ų71.130%0.29937%0.371SS..PPolyproline II helixtrans-80.2128.2175.8-83.5175.991.200111.1P524 V536P524-Q527 HydrophobicContact CB-CG 4.09Å; P524-Q527 VanDerWaalsContact CB-NE2 3.29Å; P524-Q527 PolarHBondContact O-NE2 3.09Å; Q527-V536 PolarHBondContact NE2-O 3.41Å; Q527-V536 VanDerWaalsContact OE1-N 3.12Å
528T70.6Confident82.7Confident128 Ų12874.4 Ų74.479%0.78538%0.384SS*.PPolyproline II helixtrans-70.5129.1160.649.80000108.7
529P78.3Confident83.2Confident62 Ų6271.4 Ų71.440%0.40336%0.363SS..PPolyproline II helixtrans-53.5145172.8-21.331.1000110.9D533 Q534 V535P529-D533 WeakPolarHBondContact CB-OD1 3.32Å; P529-Q534 WeakPolarHBondContact CA-O 3.38Å; P529-V535 HydrophobicContact CG-CG1 4.46Å
530D78.5Confident83.6Confident49 Ų4973.2 Ų73.226%0.26237%0.374SS..  trans-70.6179.9174.775.50.8000111.8R493 N532 D533 Q534R493-D530 IonicContact CZ-OD2 2.8Å; R493-D530 IonicContact NH1-OD2 2.68Å; R493-D530 PolarHBondContact NH1-OD2 3.23Å; D530-N532 PolarHBondContact O-N 3.34Å; D530-N532 WeakPolarHBondContact OD1-CA 3.44Å; D530-N532 WeakPolarHBondContact OD1-CB 3.49Å; D530-N532 PolarHBondContact OD1-N 2.93Å; D530-D533 PolarHBondContact O-N 3Å; D530-D533 PolarHBondContact OD1-N 3.11Å; D530-Q534 PolarHBondContact N-O 3.16Å; D530-Q534 WeakPolarHBondContact OD1-CA 3.4Å; D530-Q534 WeakPolarHBondContact OD1-CB 3.41Å; D530-Q534 PolarHBondContact OD1-N 3.47Å
531E78Confident83.4Confident201 Ų20168.1 Ų68.194%0.93935%0.352SS*.THydrogen-bonded Turntrans-56.8-18.3178-65.4-179.5157.200113.9
532N78Confident83.2Confident110 Ų11069.6 Ų69.659%0.58836%0.359SS*.THydrogen-bonded Turntrans-102.515.1177.4-58.7-68.5000112.7D530 Q534D530-N532 PolarHBondContact O-N 3.34Å; D530-N532 WeakPolarHBondContact OD1-CA 3.44Å; D530-N532 WeakPolarHBondContact OD1-CB 3.49Å; D530-N532 PolarHBondContact OD1-N 2.93Å; N532-Q534 VanDerWaalsContact C-N 3.25Å; N532-Q534 HydrophobicContact CB-CG 4.12Å; N532-Q534 PolarHBondContact O-N 2.94Å
533D82.8Confident82.9Confident78 Ų7867.9 Ų67.942%0.41735%0.346SS..SBendtrans56.937.2-175.9-16628.8000112.8S496 P529 D530S496-D533 WeakPolarHBondContact CB-O 3.41Å; S496-D533 VanDerWaalsContact CB-OD1 3.29Å; S496-D533 WeakPolarHBondContact CB-OD1 3.19Å; S496-D533 PolarHBondContact N-O 3.28Å; S496-D533 PolarHBondContact OG-O 3.2Å; S496-D533 PolarHBondContact OG-OD1 3.33Å; S496-D533 PolarHBondContact OG-OD2 2.86Å; S496-D533 VanDerWaalsContact OG-OD2 3.07Å; P529-D533 WeakPolarHBondContact CB-OD1 3.32Å; D530-D533 PolarHBondContact O-N 3Å; D530-D533 PolarHBondContact OD1-N 3.11Å
534Q85.3Confident82.7Confident59 Ų5970.9 Ų70.928%0.27636%0.356SS..EExtended strand (participates in β ladder)trans-109.1147.6178.1-56.7176.88.700111.3R493 V494 P529 D530 N532R493-Q534 HydrophobicContact CB-CB 4.18Å; R493-Q534 VanDerWaalsContact CD-OE1 3.24Å; V494-Q534 CarbonylContact O-C 3.39Å; V494-Q534 VanDerWaalsContact O-CA 3.28Å; V494-Q534 WeakPolarHBondContact O-CA 3.4Å; P529-Q534 WeakPolarHBondContact CA-O 3.38Å; D530-Q534 PolarHBondContact N-O 3.16Å; D530-Q534 WeakPolarHBondContact OD1-CA 3.4Å; D530-Q534 WeakPolarHBondContact OD1-CB 3.41Å; D530-Q534 PolarHBondContact OD1-N 3.47Å; N532-Q534 VanDerWaalsContact C-N 3.25Å; N532-Q534 HydrophobicContact CB-CG 4.12Å; N532-Q534 PolarHBondContact O-N 2.94Å
535V89.3Confident82.7Confident15 Ų1568.9 Ų68.99%0.09134%0.343CS..EExtended strand (participates in β ladder)trans-118.7154.9172.8-59.10000109.9V494 A499 P529V494-V535 HydrophobicContact CG2-CG2 3.56Å; V494-V535 PolarHBondContact N-O 2.87Å; V494-V535 PolarHBondContact O-N 2.91Å; A499-V535 HydrophobicContact CB-CG2 3.4Å; P529-V535 HydrophobicContact CG-CG1 4.46Å
536V90.4Very high83.7Confident34 Ų3458.5 Ų58.521%0.20630%0.304CS..EExtended strand (participates in β ladder)trans-93.5131-178.3-178.50000110.8H491 I492 Q527H491-V536 HydrophobicContact CB-CG1 3.51Å; I492-V536 WeakPolarHBondContact O-CA 3.43Å; Q527-V536 PolarHBondContact NE2-O 3.41Å; Q527-V536 VanDerWaalsContact OE1-N 3.12Å
537V92.6Very high84.5Confident0 Ų051.7 Ų51.70%027%0.267CS..EExtended strand (participates in β ladder)trans-101.8126.5165.7-178.10000108.5H491 I492 V494 V502 V521 V523 I539 I553H491-V537 WeakPolarHBondContact CA-O 3.38Å; I492-V537 HydrophobicContact CD1-CB 4.43Å; I492-V537 HydrophobicContact CG1-CB 3.84Å; I492-V537 PolarHBondContact N-O 3.42Å; I492-V537 PolarHBondContact O-N 2.77Å; V494-V537 HydrophobicContact CB-CG2 4.38Å; V494-V537 HydrophobicContact CG1-CG2 3.76Å; V494-V537 HydrophobicContact CG2-CG2 3.62Å; V502-V537 HydrophobicContact CG1-CG2 4.48Å; V521-V537 HydrophobicContact CG1-CG1 3.77Å; V523-V537 HydrophobicContact CG1-CG2 4.39Å; V523-V537 HydrophobicContact CG2-CB 4.5Å; V523-V537 HydrophobicContact CG2-CG1 3.96Å; V523-V537 HydrophobicContact CG2-CG2 4.01Å; V537-I539 HydrophobicContact CG1-CG1 4.32Å; V537-I553 HydrophobicContact CG1-CD1 3.94Å
538K94.3Very high85.2Confident75 Ų7552.1 Ų52.133%0.32627%0.274SS..EExtended strand (participates in β ladder)trans-96.1130.7178.8-54.9-175.1168-1630109.5E489 V521 V522 P524E489-K538 WeakPolarHBondContact OE1-CD 3.08Å; E489-K538 IonicContact OE1-NZ 3.2Å; V521-K538 CarbonylContact C-O 3.57Å; V521-K538 WeakPolarHBondContact CA-O 3.31Å; V522-K538 HydrophobicContact CB-CB 4.37Å; V522-K538 PolarHBondContact N-O 3.01Å; V522-K538 PolarHBondContact O-N 3.02Å; P524-K538 HydrophobicContact CG-CD 4.27Å
539I94.1Very high86Confident0 Ų046 Ų460%024%0.236CC..EExtended strand (participates in β ladder)trans-129116.8-178.1-55.3170.5000107.5E489 A490 I492 A519 E520 V521 V537 C546 A549 Q550 I553E489-I539 CarbonylContact C-O 3.56Å; E489-I539 WeakPolarHBondContact CA-O 3.28Å; A490-I539 PolarHBondContact N-O 3.39Å; A490-I539 PolarHBondContact O-N 3.01Å; I492-I539 HydrophobicContact CD1-CD1 3.81Å; I492-I539 HydrophobicContact CG1-CD1 4.16Å; I492-I539 HydrophobicContact CG2-CD1 4.44Å; A519-I539 HydrophobicContact CB-CG2 3.86Å; E520-I539 CarbonylContact O-C 3.51Å; E520-I539 WeakPolarHBondContact O-CA 3.36Å; V521-I539 HydrophobicContact CG1-CG1 4.49Å; V521-I539 HydrophobicContact CG2-CG2 4.48Å; V537-I539 HydrophobicContact CG1-CG1 4.32Å; I539-C546 HydrophobicContact CG2-CB 4.27Å; I539-A549 HydrophobicContact CD1-CB 4.28Å; I539-A549 HydrophobicContact CG2-CB 3.69Å; I539-Q550 HydrophobicContact CD1-CG 3.59Å; I539-I553 HydrophobicContact CD1-CD1 3.73Å; I539-I553 HydrophobicContact CG1-CD1 4.25Å
540T92.2Very high86.6Confident43 Ų4343.7 Ų43.726%0.26422%0.22SC..EExtended strand (participates in β ladder)trans-119.6129.6-178.9-55.50000110.3L488 A519 E520L488-T540 WeakPolarHBondContact O-CA 3.4Å; A519-T540 WeakPolarHBondContact CA-O 3.4Å; E520-T540 PolarHBondContact N-O 3.13Å; E520-T540 PolarHBondContact O-N 3.44Å
541G86.4Confident87Confident6 Ų648.9 Ų48.96%0.06224%0.236CC..EExtended strand (participates in β ladder)trans169.6-178.1-179.900000113.4Y471 K487 L488 C546Y471-G541 PolarHBondContact OH-O 3.29Å; K487-G541 WeakPolarHBondContact CA-O 3.26Å; L488-G541 PolarHBondContact N-O 2.85Å; L488-G541 PolarHBondContact O-N 2.8Å; L488-G541 VanDerWaalsContact O-N 3.17Å; G541-C546 PolarHBondContact N-SG 3.19Å; G541-C546 VanDerWaalsContact N-SG 3.38Å; G541-C546 PolarHBondContact O-SG 2.8Å; G541-C546 VanDerWaalsContact O-SG 3.38Å
542H86.5Confident87.5Confident35 Ų3543.2 Ų43.216%0.16221%0.208CC..SBendtrans-68.7163.2168.865.82.9000110.8E485 Y544 A545 C546E485-H542 HydrophobicContact CG-CB 4.21Å; E485-H542 IonicContact OE1-CD2 3.87Å; E485-H542 IonicContact OE2-CD2 3.91Å; E485-H542 PolarHBondContact OE2-CD2 3.45Å; H542-Y544 VanDerWaalsContact C-N 3.35Å; H542-Y544 PolarHBondContact O-N 3.09Å; H542-A545 WeakPolarHBondContact CE1-CB 3.34Å; H542-A545 PolarHBondContact CE1-N 3.31Å; H542-A545 WeakPolarHBondContact ND1-CB 3.47Å; H542-A545 PolarHBondContact ND1-N 3.15Å; H542-A545 PolarHBondContact O-N 2.89Å; H542-A545 VanDerWaalsContact O-N 3.1Å; H542-C546 PolarHBondContact O-N 3.43Å; H542-C546 VanDerWaalsContact O-N 3.09Å
543F85.1Confident88.1Confident25 Ų2538 Ų3811%0.1118%0.18CC..Hα-helixtrans-44.4-55.2-173.8173.8-116000113.2F464 Q467 G468 Y471 A545 C546 Q547F464-F543 HydrophobicContact CD1-CZ 4.35Å; F464-F543 AromaticContact CD2-CZ 3.8Å; F464-F543 HydrophobicContact CD2-CZ 3.8Å; F464-F543 HydrophobicContact CE1-CE1 4.41Å; F464-F543 HydrophobicContact CE1-CZ 4.08Å; F464-F543 AromaticContact CE2-CE1 3.79Å; F464-F543 HydrophobicContact CE2-CE1 3.79Å; F464-F543 AromaticContact CE2-CZ 3.49Å; F464-F543 HydrophobicContact CE2-CZ 3.49Å; F464-F543 VanDerWaalsContact CE2-CZ 3.49Å; F464-F543 HydrophobicContact CG-CZ 4.21Å; F464-F543 AromaticContact CZ-CE1 3.71Å; F464-F543 HydrophobicContact CZ-CE1 3.71Å; F464-F543 AromaticContact CZ-CZ 3.64Å; F464-F543 HydrophobicContact CZ-CZ 3.64Å; Q467-F543 HydrophobicContact CB-CD2 4.4Å; Q467-F543 HydrophobicContact CB-CE2 3.96Å; G468-F543 VanDerWaalsContact N-CE2 3.25Å; Y471-F543 HydrophobicContact CD1-CB 3.87Å; Y471-F543 HydrophobicContact CD2-CB 4.07Å; Y471-F543 AromaticContact CD2-CD2 3.72Å; Y471-F543 HydrophobicContact CD2-CD2 3.72Å; Y471-F543 HydrophobicContact CD2-CG 4.32Å; Y471-F543 HydrophobicContact CE1-CB 4.17Å; Y471-F543 HydrophobicContact CE2-CB 4.36Å; Y471-F543 HydrophobicContact CE2-CD2 4.06Å; Y471-F543 HydrophobicContact CG-CB 3.8Å; Y471-F543 HydrophobicContact CG-CD2 4.21Å; Y471-F543 HydrophobicContact CG-CG 4.39Å; F543-A545 PolarHBondContact O-N 3.48Å; F543-C546 PolarHBondContact O-N 2.96Å; F543-Q547 HydrophobicContact CD2-CG 4.04Å; F543-Q547 HydrophobicContact CE1-CG 4.35Å; F543-Q547 HydrophobicContact CE2-CG 3.62Å; F543-Q547 HydrophobicContact CZ-CG 3.81Å; F543-Q547 WeakPolarHBondContact O-CG 3.35Å; F543-Q547 PolarHBondContact O-N 3.05Å
544Y83.3Confident88.3Confident81 Ų8136.2 Ų36.232%0.31817%0.17SC..Hα-helixtrans-67.2-38-175.2-64.7-63.9000113.6L320 H542 C546 Q547 V548L320-Y544 HydrophobicContact CB-CE1 3.98Å; L320-Y544 HydrophobicContact CD1-CD1 3.47Å; L320-Y544 VanDerWaalsContact CD1-CD1 3.47Å; L320-Y544 HydrophobicContact CD1-CE1 3.49Å; L320-Y544 VanDerWaalsContact CD1-CE1 3.49Å; L320-Y544 HydrophobicContact CG-CE1 4.34Å; H542-Y544 VanDerWaalsContact C-N 3.35Å; H542-Y544 PolarHBondContact O-N 3.09Å; Y544-C546 VanDerWaalsContact C-N 3.35Å; Y544-C546 PolarHBondContact O-N 3.15Å; Y544-Q547 PolarHBondContact O-N 2.96Å; Y544-V548 WeakPolarHBondContact O-CG2 3.45Å; Y544-V548 PolarHBondContact O-N 3.07Å
545A82.6Confident88.4Confident1 Ų137.1 Ų37.11%0.00817%0.174CC..Hα-helixtrans-58.9-48.7174.300000110.9S517 A519 H542 F543 Q547 V548 A549S517-A545 WeakPolarHBondContact CB-O 3.28Å; S517-A545 WeakPolarHBondContact O-CA 3.47Å; S517-A545 WeakPolarHBondContact O-CB 3.37Å; A519-A545 HydrophobicContact CB-CB 3.85Å; H542-A545 WeakPolarHBondContact CE1-CB 3.34Å; H542-A545 PolarHBondContact CE1-N 3.31Å; H542-A545 WeakPolarHBondContact ND1-CB 3.47Å; H542-A545 PolarHBondContact ND1-N 3.15Å; H542-A545 PolarHBondContact O-N 2.89Å; H542-A545 VanDerWaalsContact O-N 3.1Å; F543-A545 PolarHBondContact O-N 3.48Å; A545-Q547 VanDerWaalsContact C-N 3.31Å; A545-Q547 PolarHBondContact O-N 3.44Å; A545-V548 PolarHBondContact O-N 2.89Å; A545-A549 WeakPolarHBondContact O-CB 3.41Å; A545-A549 PolarHBondContact O-N 3.34Å
546C87.8Confident88.4Confident0 Ų037.1 Ų37.10%017%0.173CC..Hα-helixtrans-60.2-42.5179.5-69.40000111.2Y471 I539 G541 H542 F543 Y544 A549 Q550Y471-C546 PolarHBondContact OH-SG 3.01Å; I539-C546 HydrophobicContact CG2-CB 4.27Å; G541-C546 PolarHBondContact N-SG 3.19Å; G541-C546 VanDerWaalsContact N-SG 3.38Å; G541-C546 PolarHBondContact O-SG 2.8Å; G541-C546 VanDerWaalsContact O-SG 3.38Å; H542-C546 PolarHBondContact O-N 3.43Å; H542-C546 VanDerWaalsContact O-N 3.09Å; F543-C546 PolarHBondContact O-N 2.96Å; Y544-C546 VanDerWaalsContact C-N 3.35Å; Y544-C546 PolarHBondContact O-N 3.15Å; C546-A549 PolarHBondContact O-N 2.78Å; C546-Q550 WeakPolarHBondContact O-CB 3.24Å; C546-Q550 WeakPolarHBondContact O-CG 3.41Å; C546-Q550 PolarHBondContact O-N 2.8Å
547Q87.9Confident88.2Confident19 Ų1936 Ų369%0.08917%0.166CC..Hα-helixtrans-64.6-42.5177.9-66-53.6-59.900112.9F464 Q467 F543 Y544 A545 Q550 R551F464-Q547 HydrophobicContact CD2-CB 4.43Å; F464-Q547 HydrophobicContact CD2-CG 3.78Å; F464-Q547 HydrophobicContact CE2-CB 4.47Å; F464-Q547 HydrophobicContact CE2-CG 3.93Å; Q467-Q547 VanDerWaalsContact CD-NE2 3.34Å; F543-Q547 HydrophobicContact CD2-CG 4.04Å; F543-Q547 HydrophobicContact CE1-CG 4.35Å; F543-Q547 HydrophobicContact CE2-CG 3.62Å; F543-Q547 HydrophobicContact CZ-CG 3.81Å; F543-Q547 WeakPolarHBondContact O-CG 3.35Å; F543-Q547 PolarHBondContact O-N 3.05Å; Y544-Q547 PolarHBondContact O-N 2.96Å; A545-Q547 VanDerWaalsContact C-N 3.31Å; A545-Q547 PolarHBondContact O-N 3.44Å; Q547-Q550 VanDerWaalsContact NE2-OE1 3.1Å; Q547-Q550 PolarHBondContact O-N 3.07Å; Q547-R551 WeakPolarHBondContact O-CB 3.45Å; Q547-R551 PolarHBondContact O-N 3.22Å
548V84.9Confident87.9Confident73 Ų7339 Ų3944%0.44219%0.185SC..Hα-helixtrans-63.6-45.7177.6173.30000110.5Y544 A545 K552Y544-V548 WeakPolarHBondContact O-CG2 3.45Å; Y544-V548 PolarHBondContact O-N 3.07Å; A545-V548 PolarHBondContact O-N 2.89Å; V548-K552 WeakPolarHBondContact O-CB 3.28Å; V548-K552 PolarHBondContact O-N 2.63Å; V548-K552 VanDerWaalsContact O-N 3.07Å
549A88.1Confident87.5Confident0 Ų040.4 Ų40.40%019%0.192CC..Hα-helixtrans-61.7-47176.800000111.9A519 V521 I539 A545 C546 K552 I553A519-A549 HydrophobicContact CB-CB 4.04Å; V521-A549 HydrophobicContact CG2-CB 4.05Å; I539-A549 HydrophobicContact CD1-CB 4.28Å; I539-A549 HydrophobicContact CG2-CB 3.69Å; A545-A549 WeakPolarHBondContact O-CB 3.41Å; A545-A549 PolarHBondContact O-N 3.34Å; C546-A549 PolarHBondContact O-N 2.78Å; A549-K552 PolarHBondContact O-N 3.44Å; A549-I553 WeakPolarHBondContact O-CD1 3.47Å; A549-I553 VanDerWaalsContact O-CG1 3.25Å; A549-I553 WeakPolarHBondContact O-CG1 3.48Å; A549-I553 PolarHBondContact O-N 3.25Å
550Q90.6Very high87.1Confident13 Ų1341.1 Ų41.16%0.06120%0.197CC..Hα-helixtrans-58.1-50.8177.6-76.6177-27.800111.9V408 I492 I539 C546 Q547 K552 I553 Q554V408-Q550 VanDerWaalsContact CG1-NE2 3.31Å; I492-Q550 HydrophobicContact CG2-CG 4.12Å; I539-Q550 HydrophobicContact CD1-CG 3.59Å; C546-Q550 WeakPolarHBondContact O-CB 3.24Å; C546-Q550 WeakPolarHBondContact O-CG 3.41Å; C546-Q550 PolarHBondContact O-N 2.8Å; Q547-Q550 VanDerWaalsContact NE2-OE1 3.1Å; Q547-Q550 PolarHBondContact O-N 3.07Å; Q550-K552 VanDerWaalsContact C-N 3.31Å; Q550-K552 PolarHBondContact O-N 3.28Å; Q550-I553 PolarHBondContact O-N 2.86Å; Q550-Q554 WeakPolarHBondContact O-CG 3.49Å; Q550-Q554 PolarHBondContact O-N 2.87Å
551R87.1Confident86.6Confident158 Ų15843.7 Ų43.760%0.59620%0.204SC*.Hα-helixtrans-58.7-43.7179.3-174.8179-61.8179.40.5111.7Q547 I553 Q554 E555Q547-R551 WeakPolarHBondContact O-CB 3.45Å; Q547-R551 PolarHBondContact O-N 3.22Å; R551-I553 VanDerWaalsContact C-N 3.34Å; R551-I553 PolarHBondContact O-N 2.99Å; R551-Q554 WeakPolarHBondContact O-CB 3.39Å; R551-Q554 PolarHBondContact O-N 3.45Å; R551-E555 PolarHBondContact O-N 2.91Å
552K87.6Confident86.3Confident82 Ų8249 Ų4936%0.35723%0.227SC..Hα-helixtrans-69.5-35-178.1-165.571.2-172168.50112.3L513 V548 A549 Q550 E555 I556L513-K552 HydrophobicContact CD2-CB 3.38Å; L513-K552 HydrophobicContact CD2-CG 3.29Å; L513-K552 HydrophobicContact CG-CG 4.44Å; V548-K552 WeakPolarHBondContact O-CB 3.28Å; V548-K552 PolarHBondContact O-N 2.63Å; V548-K552 VanDerWaalsContact O-N 3.07Å; A549-K552 PolarHBondContact O-N 3.44Å; Q550-K552 VanDerWaalsContact C-N 3.31Å; Q550-K552 PolarHBondContact O-N 3.28Å; K552-E555 WeakPolarHBondContact CD-OE2 3.44Å; K552-E555 WeakPolarHBondContact CE-OE2 3.29Å; K552-E555 IonicContact NZ-OE2 3.37Å; K552-E555 PolarHBondContact NZ-OE2 2.93Å; K552-E555 PolarHBondContact O-N 3.28Å; K552-I556 WeakPolarHBondContact O-CG1 3.38Å; K552-I556 PolarHBondContact O-N 2.9Å
553I90.4Very high86Confident0 Ų051.6 Ų51.60%024%0.239CC..Hα-helixtrans-65.1-42.6171.8-65.9163.2000110.1I492 V494 V502 L513 V521 V537 I539 A549 Q550 R551 E555 I556 L557I492-I553 HydrophobicContact CD1-CB 3.84Å; I492-I553 HydrophobicContact CD1-CD1 3.74Å; I492-I553 HydrophobicContact CD1-CG1 4.39Å; I492-I553 HydrophobicContact CD1-CG2 3.51Å; V494-I553 HydrophobicContact CG1-CG2 3.99Å; V502-I553 HydrophobicContact CG1-CD1 4.42Å; V502-I553 HydrophobicContact CG1-CG1 4.02Å; V502-I553 HydrophobicContact CG1-CG2 4.25Å; V502-I553 HydrophobicContact CG2-CG2 4Å; L513-I553 HydrophobicContact CD1-CG1 3.94Å; L513-I553 HydrophobicContact CD2-CG1 4.23Å; V521-I553 HydrophobicContact CG1-CD1 4.17Å; V537-I553 HydrophobicContact CG1-CD1 3.94Å; I539-I553 HydrophobicContact CD1-CD1 3.73Å; I539-I553 HydrophobicContact CG1-CD1 4.25Å; A549-I553 WeakPolarHBondContact O-CD1 3.47Å; A549-I553 VanDerWaalsContact O-CG1 3.25Å; A549-I553 WeakPolarHBondContact O-CG1 3.48Å; A549-I553 PolarHBondContact O-N 3.25Å; Q550-I553 PolarHBondContact O-N 2.86Å; R551-I553 VanDerWaalsContact C-N 3.34Å; R551-I553 PolarHBondContact O-N 2.99Å; I553-E555 PolarHBondContact O-N 3.36Å; I553-I556 WeakPolarHBondContact O-CB 3.37Å; I553-I556 PolarHBondContact O-N 2.81Å; I553-I556 VanDerWaalsContact O-N 3.13Å; I553-L557 WeakPolarHBondContact O-CG 3.46Å; I553-L557 PolarHBondContact O-N 2.68Å
554Q88.5Confident85.4Confident42 Ų4255 Ų5520%0.19626%0.255CS..Hα-helixtrans-60-43.2175-67.5-59.93.100112.7E406 Q550 R551 I556 L557 T558E406-Q554 VanDerWaalsContact OE1-CD 3.31Å; E406-Q554 PolarHBondContact OE1-NE2 3.23Å; E406-Q554 PolarHBondContact OE2-NE2 3.14Å; Q550-Q554 WeakPolarHBondContact O-CG 3.49Å; Q550-Q554 PolarHBondContact O-N 2.87Å; R551-Q554 WeakPolarHBondContact O-CB 3.39Å; R551-Q554 PolarHBondContact O-N 3.45Å; Q554-I556 VanDerWaalsContact C-N 3.27Å; Q554-I556 PolarHBondContact O-N 3.46Å; Q554-L557 WeakPolarHBondContact O-CA 3.47Å; Q554-L557 WeakPolarHBondContact O-CB 3.45Å; Q554-L557 PolarHBondContact O-N 3.34Å; Q554-T558 PolarHBondContact O-N 3.23Å; Q554-T558 PolarHBondContact O-OG1 3.29Å; Q554-T558 VanDerWaalsContact O-OG1 3.09Å
555E87Confident84.7Confident77 Ų7757.7 Ų57.736%0.3627%0.271SS..Hα-helixtrans-56.2-41.7174.2-73.5173.8-159.300112.2R551 K552 I553 L557 T558 Q559R551-E555 PolarHBondContact O-N 2.91Å; K552-E555 WeakPolarHBondContact CD-OE2 3.44Å; K552-E555 WeakPolarHBondContact CE-OE2 3.29Å; K552-E555 IonicContact NZ-OE2 3.37Å; K552-E555 PolarHBondContact NZ-OE2 2.93Å; K552-E555 PolarHBondContact O-N 3.28Å; I553-E555 PolarHBondContact O-N 3.36Å; E555-L557 VanDerWaalsContact C-N 3.33Å; E555-T558 PolarHBondContact O-N 3.33Å; E555-Q559 VanDerWaalsContact O-CG 3.28Å; E555-Q559 WeakPolarHBondContact O-CG 3.38Å; E555-Q559 PolarHBondContact O-N 3.38Å
556I88.4Confident84Confident16 Ų1663.7 Ų63.78%0.08230%0.299CS..Hα-helixtrans-62.5-43175.7-65.9165.8000110R501 V502 T509 L513 K552 I553 Q554 Q559 V560R501-I556 HydrophobicContact CB-CG2 4.02Å; V502-I556 HydrophobicContact CG2-CG2 4.07Å; T509-I556 HydrophobicContact CG2-CD1 3.72Å; L513-I556 HydrophobicContact CD1-CD1 4.12Å; K552-I556 WeakPolarHBondContact O-CG1 3.38Å; K552-I556 PolarHBondContact O-N 2.9Å; I553-I556 WeakPolarHBondContact O-CB 3.37Å; I553-I556 PolarHBondContact O-N 2.81Å; I553-I556 VanDerWaalsContact O-N 3.13Å; Q554-I556 VanDerWaalsContact C-N 3.27Å; Q554-I556 PolarHBondContact O-N 3.46Å; I556-Q559 PolarHBondContact O-N 3.06Å; I556-V560 HydrophobicContact CG2-CG2 4.43Å; I556-V560 VanDerWaalsContact O-CG2 3.24Å; I556-V560 WeakPolarHBondContact O-CG2 3.5Å; I556-V560 PolarHBondContact O-N 3.28Å
557L87.2Confident83Confident11 Ų1169.6 Ų69.66%0.05832%0.324CS..Hα-helixtrans-64.2-43.3178.3-61.5-173.3000112.4V494 A498 V502 I553 Q554 E555 Q559 V560 K561V494-L557 HydrophobicContact CB-CD1 4.23Å; V494-L557 HydrophobicContact CB-CD2 4.1Å; V494-L557 HydrophobicContact CG1-CD1 3.94Å; V494-L557 HydrophobicContact CG1-CD2 4.35Å; A498-L557 HydrophobicContact CB-CD2 3.47Å; A498-L557 VanDerWaalsContact CB-CD2 3.47Å; V502-L557 HydrophobicContact CG2-CD2 4.38Å; I553-L557 WeakPolarHBondContact O-CG 3.46Å; I553-L557 PolarHBondContact O-N 2.68Å; Q554-L557 WeakPolarHBondContact O-CA 3.47Å; Q554-L557 WeakPolarHBondContact O-CB 3.45Å; Q554-L557 PolarHBondContact O-N 3.34Å; E555-L557 VanDerWaalsContact C-N 3.33Å; L557-Q559 VanDerWaalsContact C-N 3.34Å; L557-Q559 PolarHBondContact O-N 3.49Å; L557-V560 PolarHBondContact O-N 3.44Å; L557-K561 WeakPolarHBondContact O-CG 3.48Å; L557-K561 PolarHBondContact O-N 3.04Å
558T85.9Confident81.8Confident63 Ų6371.6 Ų71.639%0.38734%0.344SS..Hα-helixtrans-60.5-43.8176.5-50.90000111.3Q554 E555 V560 K561 Q562Q554-T558 PolarHBondContact O-N 3.23Å; Q554-T558 PolarHBondContact O-OG1 3.29Å; Q554-T558 VanDerWaalsContact O-OG1 3.09Å; E555-T558 PolarHBondContact O-N 3.33Å; T558-V560 VanDerWaalsContact C-N 3.34Å; T558-V560 PolarHBondContact O-N 3.02Å; T558-K561 PolarHBondContact O-N 3.44Å; T558-Q562 WeakPolarHBondContact O-CG 3.49Å; T558-Q562 PolarHBondContact O-N 3.11Å
559Q85.1Confident80.4Confident104 Ų10475.2 Ų75.249%0.48636%0.361SS..Hα-helixtrans-63.5-39176.6-71.7174.518.200112.4E555 I556 L557 H563E555-Q559 VanDerWaalsContact O-CG 3.28Å; E555-Q559 WeakPolarHBondContact O-CG 3.38Å; E555-Q559 PolarHBondContact O-N 3.38Å; I556-Q559 PolarHBondContact O-N 3.06Å; L557-Q559 VanDerWaalsContact C-N 3.34Å; L557-Q559 PolarHBondContact O-N 3.49Å; Q559-H563 PolarHBondContact O-N 3.28Å; Q559-H563 VanDerWaalsContact O-N 3.14Å
560V85.9Confident78.9Confident15 Ų1583 Ų839%0.09140%0.397CS..Hα-helixtrans-68.2-43.8177.6176.20000110.8F497 A498 R501 I556 L557 T558 Q562 H563 Q564F497-V560 HydrophobicContact CD2-CG1 3.96Å; F497-V560 HydrophobicContact CE2-CG1 3.68Å; A498-V560 HydrophobicContact CB-CG1 4.15Å; R501-V560 HydrophobicContact CB-CG2 3.98Å; R501-V560 HydrophobicContact CG-CG2 3.86Å; I556-V560 HydrophobicContact CG2-CG2 4.43Å; I556-V560 VanDerWaalsContact O-CG2 3.24Å; I556-V560 WeakPolarHBondContact O-CG2 3.5Å; I556-V560 PolarHBondContact O-N 3.28Å; L557-V560 PolarHBondContact O-N 3.44Å; T558-V560 VanDerWaalsContact C-N 3.34Å; T558-V560 PolarHBondContact O-N 3.02Å; V560-Q562 PolarHBondContact O-N 3.44Å; V560-H563 PolarHBondContact O-N 3.24Å; V560-Q564 WeakPolarHBondContact O-CB 3.36Å; V560-Q564 PolarHBondContact O-N 3.21Å
561K82.6Confident77.3Confident96 Ų9686.3 Ų86.342%0.41742%0.421SS..Hα-helixtrans-56.4-47.2175.3-77.1176.7175.9172.80111.6E404 L557 T558 H563 Q564 Q565E404-K561 IonicContact OE1-NZ 3.58Å; E404-K561 PolarHBondContact OE1-NZ 3.17Å; L557-K561 WeakPolarHBondContact O-CG 3.48Å; L557-K561 PolarHBondContact O-N 3.04Å; T558-K561 PolarHBondContact O-N 3.44Å; K561-H563 PolarHBondContact O-N 3.46Å; K561-Q564 PolarHBondContact O-N 3.39Å; K561-Q565 PolarHBondContact O-N 3.42Å
562Q79.9Confident75.5Confident118 Ų11881.8 Ų81.855%0.55142%0.424SS*.Hα-helixtrans-61.9-42.5178.6-72.4175.51.800112.6T558 V560 Q564 Q565 Q566T558-Q562 WeakPolarHBondContact O-CG 3.49Å; T558-Q562 PolarHBondContact O-N 3.11Å; V560-Q562 PolarHBondContact O-N 3.44Å; Q562-Q564 VanDerWaalsContact C-N 3.31Å; Q562-Q564 PolarHBondContact O-N 3.25Å; Q562-Q565 PolarHBondContact O-N 3.1Å; Q562-Q566 PolarHBondContact O-N 3.02Å; Q562-Q566 VanDerWaalsContact O-N 3.17Å
563H79.4Confident73.3Confident89 Ų8983.7 Ų83.741%0.41244%0.444SS..Hα-helixtrans-67.5-31.3178-171.272.3000112.7Q559 V560 K561 K567Q559-H563 PolarHBondContact O-N 3.28Å; Q559-H563 VanDerWaalsContact O-N 3.14Å; V560-H563 PolarHBondContact O-N 3.24Å; K561-H563 PolarHBondContact O-N 3.46Å; H563-K567 WeakPolarHBondContact NE2-CE 3.39Å; H563-K567 PolarHBondContact NE2-NZ 3.35Å; H563-K567 PolarHBondContact O-N 2.91Å
564Q72.6Confident71.2Confident96 Ų9689.8 Ų89.845%0.44948%0.484SS..Hα-helixtrans-74-39.3177.4-159.1173.524.200111.7F497 V560 K561 Q562 K567 A568F497-Q564 VanDerWaalsContact CE2-OE1 3.3Å; V560-Q564 WeakPolarHBondContact O-CB 3.36Å; V560-Q564 PolarHBondContact O-N 3.21Å; K561-Q564 PolarHBondContact O-N 3.39Å; Q562-Q564 VanDerWaalsContact C-N 3.31Å; Q562-Q564 PolarHBondContact O-N 3.25Å; Q564-K567 PolarHBondContact O-N 3.47Å; Q564-A568 WeakPolarHBondContact O-CB 3.37Å; Q564-A568 PolarHBondContact O-N 3.16Å
565Q69.9Low69Low138 Ų13897 Ų9765%0.64552%0.518SS*.Hα-helixtrans-61.9-42.3174-115.1169.912.800112K561 Q562 K567 A568 L569K561-Q565 PolarHBondContact O-N 3.42Å; Q562-Q565 PolarHBondContact O-N 3.1Å; Q565-K567 VanDerWaalsContact C-N 3.35Å; Q565-K567 PolarHBondContact O-N 3.03Å; Q565-A568 PolarHBondContact O-N 3.13Å; Q565-L569 WeakPolarHBondContact O-CD1 3.46Å; Q565-L569 WeakPolarHBondContact O-CG 3.23Å; Q565-L569 PolarHBondContact O-N 3.27Å; Q565-L569 VanDerWaalsContact O-N 3.1Å
566Q67.7Low66.9Low127 Ų12798.6 Ų98.659%0.59354%0.537SS*.Hα-helixtrans-64-36.9174.7-83.1177.7-7.900113.2Q562 Q570Q562-Q566 PolarHBondContact O-N 3.02Å; Q562-Q566 VanDerWaalsContact O-N 3.17Å; Q566-Q570 PolarHBondContact O-N 3.12Å
567K65.4Low64.8Low124 Ų124109.5 Ų109.554%0.53958%0.578SS.*Hα-helixtrans-70.5-39.8175.5-83.8178.5169.3168.80112.8H563 Q564 Q565 L569 Q570 S571H563-K567 WeakPolarHBondContact NE2-CE 3.39Å; H563-K567 PolarHBondContact NE2-NZ 3.35Å; H563-K567 PolarHBondContact O-N 2.91Å; Q564-K567 PolarHBondContact O-N 3.47Å; Q565-K567 VanDerWaalsContact C-N 3.35Å; Q565-K567 PolarHBondContact O-N 3.03Å; K567-L569 VanDerWaalsContact C-N 3.29Å; K567-L569 PolarHBondContact O-N 3.16Å; K567-Q570 PolarHBondContact O-N 3.44Å; K567-Q570 VanDerWaalsContact O-N 3.13Å; K567-S571 PolarHBondContact O-N 3.31Å; K567-S571 VanDerWaalsContact O-N 3.16Å; K567-S571 PolarHBondContact O-OG 3.49Å
568A62.5Low62.7Low62 Ų62120.4 Ų120.451%0.51262%0.618SS.*Hα-helixtrans-64.8-33.2177.200000112.5Q564 Q565 Q570 S571Q564-A568 WeakPolarHBondContact O-CB 3.37Å; Q564-A568 PolarHBondContact O-N 3.16Å; Q565-A568 PolarHBondContact O-N 3.13Å; A568-Q570 VanDerWaalsContact C-N 3.3Å; A568-Q570 PolarHBondContact O-N 3.44Å; A568-S571 PolarHBondContact O-OG 3.08Å
569L57.5Low60.7Low149 Ų149130.6 Ų130.678%0.7866%0.657SS**Hα-helixtrans-72.3-19.7174.1-74.9158.1000113.5Q565 K567Q565-L569 WeakPolarHBondContact O-CD1 3.46Å; Q565-L569 WeakPolarHBondContact O-CG 3.23Å; Q565-L569 PolarHBondContact O-N 3.27Å; Q565-L569 VanDerWaalsContact O-N 3.1Å; K567-L569 VanDerWaalsContact C-N 3.29Å; K567-L569 PolarHBondContact O-N 3.16Å
570Q56.6Low59.5Low164 Ų164132 Ų13277%0.76667%0.666SS**Hα-helixtrans-93.1-20.5176.9-74.2176.68.700113.4Q566 K567 A568Q566-Q570 PolarHBondContact O-N 3.12Å; K567-Q570 PolarHBondContact O-N 3.44Å; K567-Q570 VanDerWaalsContact O-N 3.13Å; A568-Q570 VanDerWaalsContact C-N 3.3Å; A568-Q570 PolarHBondContact O-N 3.44Å
571S55.1Low58.1Low81 Ų81138.1 Ų138.157%0.56670%0.696SS**SBendtrans-9399.7173.157.20000110.7K567 A568K567-S571 PolarHBondContact O-N 3.31Å; K567-S571 VanDerWaalsContact O-N 3.16Å; K567-S571 PolarHBondContact O-OG 3.49Å; A568-S571 PolarHBondContact O-OG 3.08Å
572G49.4Very low56.7Low63 Ų63140.4 Ų140.465%0.64971%0.711SS**PPolyproline II helixtrans-61.9169.1175.200000114.1
573P42.2Very low55.3Low122 Ų122141.8 Ų141.879%0.79272%0.721SS**PPolyproline II helixtrans-64151.5-170.426.8-33.2000112.4Q575P573-Q575 PolarHBondContact O-N 3.25Å
574P45.6Very low53.8Low129 Ų129145.1 Ų145.184%0.83874%0.74SS**PPolyproline II helixtrans-66.1122.9-176.526-31.4000110.4S576P574-S576 PolarHBondContact O-N 3.11Å
575Q42.4Very low52.6Low193 Ų193148.3 Ų148.390%0.90276%0.759SS**PPolyproline II helixtrans-61.3120.9170-88-179.6-27.100109.3P573 R577P573-Q575 PolarHBondContact O-N 3.25Å; Q575-R577 PolarHBondContact O-N 3.23Å; Q575-R577 VanDerWaalsContact O-N 3.11Å
576S43.1Very low51.3Low110 Ų110149.1 Ų149.177%0.76977%0.768SS**  trans-60.4112.6170.149.30000109.1P574 R578P574-S576 PolarHBondContact O-N 3.11Å; S576-R578 PolarHBondContact O-N 3.36Å
577R45.7Very low50.1Low246 Ų246150.8 Ų150.893%0.92878%0.781SS**  trans-70.194.6174.6-151.8176-171.3177.72.4107.6Q575 K579Q575-R577 PolarHBondContact O-N 3.23Å; Q575-R577 VanDerWaalsContact O-N 3.11Å; R577-K579 PolarHBondContact O-N 2.95Å
578R42.1Very low48.8Very low239 Ų239153 Ų15390%0.90280%0.801SS**  trans-62.1123.5167.6-95.5-178.1169.4171.5-3.4108.2S576S576-R578 PolarHBondContact O-N 3.36Å
579K43.5Very low47.6Very low278 Ų278161.3 Ų161.3100%1.20983%0.827SS**  trans-71.10161.6-85.6-174.3174.3-177.60109.9R577R577-K579 PolarHBondContact O-N 2.95Å

Retrieved 579 of 579 residues in 153.6 ms (Link to these results)

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