A0A087Y4H5_POEFO Loading...

Phosphatidylinositol glycan anchor biosynthesis, class H

AlphaFold DB , UniProt , Accession A0A087Y4H5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 181 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
1M38.5Very low67.6Low232 Ų23296.8 Ų96.8100%1.14355%0.554SS**  0108.60-163.3179.2-61.700104.2D3M1-D3 PolarHBondContact O-N 3.07Å
2E37.6Very low68.8Low178 Ų17896.8 Ų96.883%0.83254%0.543SS*.  trans-52.4122.2-168.4-69.1165153.200110.2E4E2-E4 PolarHBondContact O-N 2.76Å
3D51.2Low69.8Low162 Ų16294 Ų9487%0.86654%0.54SS*.  trans-68.178.5167.1-81-45.2000107.4M1 A5M1-D3 PolarHBondContact O-N 3.07Å; D3-A5 PolarHBondContact O-N 3.45Å
4E62Low70.8Confident119 Ų11988.2 Ų88.256%0.55651%0.506SS*.  trans-52.4125.7170.3-80.8-168.9166.200108.3E2 L6 N164E2-E4 PolarHBondContact O-N 2.76Å; E4-L6 PolarHBondContact O-N 2.93Å; E4-N164 PolarHBondContact OE2-ND2 3.41Å
5A69.4Low71.7Confident97 Ų9787.1 Ų87.180%0.80251%0.505SS*.  trans-61.3101.217800000110D3D3-A5 PolarHBondContact O-N 3.45Å
6L81Confident72.5Confident35 Ų3583.6 Ų83.618%0.18348%0.484CS..  trans-68136.6177.9-69.2155.9000109.1E4 A13 I14 L16 C165E4-L6 PolarHBondContact O-N 2.93Å; L6-A13 CarbonylContact O-C 3.59Å; L6-A13 WeakPolarHBondContact O-CA 3.15Å; L6-I14 WeakPolarHBondContact CB-O 3.35Å; L6-I14 PolarHBondContact O-N 3.09Å; L6-L16 HydrophobicContact CD1-CB 3.65Å; L6-L16 HydrophobicContact CD1-CD2 4.47Å; L6-C165 VanDerWaalsContact CD2-CA 3.5Å; L6-C165 HydrophobicContact CD2-CB 3.45Å; L6-C165 VanDerWaalsContact CD2-CB 3.45Å
7S81.6Confident73.2Confident24 Ų2483.1 Ų83.117%0.16848%0.479CS..BIsolated β-bridgetrans-140.7158.8-179.649.50000111.6K12 R162S7-K12 CarbonylContact C-O 3.54Å; S7-K12 WeakPolarHBondContact CA-O 3.43Å; S7-K12 WeakPolarHBondContact CB-O 2.83Å; S7-R162 WeakPolarHBondContact O-CB 3.39Å; S7-R162 VanDerWaalsContact O-CG 3.28Å; S7-R162 WeakPolarHBondContact O-CG 3.45Å; S7-R162 PolarHBondContact O-N 3.48Å; S7-R162 WeakPolarHBondContact OG-CD 3.3Å
8N83.4Confident73.8Confident19 Ų1981.6 Ų81.610%0.10247%0.474CS..BIsolated β-bridgetrans-83.2173.4173.378.1-4000111.6S10 G11 K12 I14 S159 K160 R162N8-S10 PolarHBondContact O-N 2.8Å; N8-S10 VanDerWaalsContact O-N 3.13Å; N8-S10 VanDerWaalsContact OD1-CA 3.24Å; N8-S10 WeakPolarHBondContact OD1-CA 3.47Å; N8-S10 VanDerWaalsContact OD1-CB 3.29Å; N8-S10 WeakPolarHBondContact OD1-CB 3.45Å; N8-S10 PolarHBondContact OD1-N 2.86Å; N8-G11 PolarHBondContact O-N 3.36Å; N8-G11 PolarHBondContact OD1-N 2.87Å; N8-K12 PolarHBondContact N-O 2.98Å; N8-K12 WeakPolarHBondContact OD1-CB 3.3Å; N8-K12 PolarHBondContact OD1-N 2.82Å; N8-K12 PolarHBondContact OD1-O 3.08Å; N8-I14 HydrophobicContact CB-CD1 3.45Å; N8-I14 VanDerWaalsContact CB-CD1 3.45Å; N8-I14 HydrophobicContact CB-CG1 4.06Å; N8-S159 WeakPolarHBondContact CB-O 3.22Å; N8-K160 WeakPolarHBondContact CA-O 2.92Å; N8-K160 WeakPolarHBondContact CB-O 3.46Å; N8-R162 PolarHBondContact O-NE 3.34Å
9I82.4Confident74.4Confident54 Ų5482 Ų8228%0.27747%0.471SS..THydrogen-bonded Turntrans-55-30.9175.859.4169.4000112.7G11 K160I9-G11 VanDerWaalsContact C-N 3.31Å; I9-G11 PolarHBondContact O-N 2.86Å; I9-K160 HydrophobicContact CD1-CB 3.96Å; I9-K160 HydrophobicContact CD1-CD 3.55Å; I9-K160 HydrophobicContact CD1-CG 4.39Å; I9-K160 HydrophobicContact CG1-CB 3.88Å; I9-K160 HydrophobicContact CG1-CD 4.31Å; I9-K160 HydrophobicContact CG2-CB 4.43Å; I9-K160 PolarHBondContact N-O 3.39Å
10S79.1Confident74.9Confident99 Ų9981.8 Ų81.869%0.69247%0.471SS*.THydrogen-bonded Turntrans-81.50.4177.5-44.70000114.5N8 K12N8-S10 PolarHBondContact O-N 2.8Å; N8-S10 VanDerWaalsContact O-N 3.13Å; N8-S10 VanDerWaalsContact OD1-CA 3.24Å; N8-S10 WeakPolarHBondContact OD1-CA 3.47Å; N8-S10 VanDerWaalsContact OD1-CB 3.29Å; N8-S10 WeakPolarHBondContact OD1-CB 3.45Å; N8-S10 PolarHBondContact OD1-N 2.86Å; S10-K12 VanDerWaalsContact C-N 3.33Å; S10-K12 PolarHBondContact O-N 2.78Å
11G77.6Confident75.2Confident46 Ų4683.6 Ų83.647%0.47448%0.475SS..SBendtrans79.86-179.100000115.4N8 I9N8-G11 PolarHBondContact O-N 3.36Å; N8-G11 PolarHBondContact OD1-N 2.87Å; I9-G11 VanDerWaalsContact C-N 3.31Å; I9-G11 PolarHBondContact O-N 2.86Å
12K81.4Confident77.2Confident96 Ų9675.5 Ų75.542%0.41744%0.441SS..  trans-74.7133.4172.5-167.3-179.4-178.7-163.50108.9S7 N8 S10 P33S7-K12 CarbonylContact C-O 3.54Å; S7-K12 WeakPolarHBondContact CA-O 3.43Å; S7-K12 WeakPolarHBondContact CB-O 2.83Å; N8-K12 PolarHBondContact N-O 2.98Å; N8-K12 WeakPolarHBondContact OD1-CB 3.3Å; N8-K12 PolarHBondContact OD1-N 2.82Å; N8-K12 PolarHBondContact OD1-O 3.08Å; S10-K12 VanDerWaalsContact C-N 3.33Å; S10-K12 PolarHBondContact O-N 2.78Å; K12-P33 HydrophobicContact CD-CG 4.21Å; K12-P33 HydrophobicContact CG-CG 3.95Å; K12-P33 PolarHBondContact NZ-O 2.81Å
13A82Confident79.1Confident61 Ų6170.3 Ų70.350%0.50442%0.424SS..BIsolated β-bridgetrans-56.1146.2175.100000110.6L6 P33L6-A13 CarbonylContact O-C 3.59Å; L6-A13 WeakPolarHBondContact O-CA 3.15Å; A13-P33 WeakPolarHBondContact O-CD 3.47Å; A13-P33 WeakPolarHBondContact O-CG 3.28Å
14I84.4Confident80.5Confident13 Ų1366.8 Ų66.87%0.06740%0.401CS..  trans-129.5145.1174.6-75.9-178.7000107L6 N8 V30 S159 P161L6-I14 WeakPolarHBondContact CB-O 3.35Å; L6-I14 PolarHBondContact O-N 3.09Å; N8-I14 HydrophobicContact CB-CD1 3.45Å; N8-I14 VanDerWaalsContact CB-CD1 3.45Å; N8-I14 HydrophobicContact CB-CG1 4.06Å; I14-V30 HydrophobicContact CD1-CG1 4.33Å; I14-V30 HydrophobicContact CG2-CG1 3.46Å; I14-V30 VanDerWaalsContact CG2-CG1 3.46Å; I14-S159 WeakPolarHBondContact CD1-O 3.25Å; I14-P161 HydrophobicContact CD1-CB 4.21Å
15S83.8Confident81.7Confident71 Ų7162.3 Ų62.350%0.49738%0.383SS..EExtended strand (participates in β ladder)trans-102128165.857.40000110S31S15-S31 PolarHBondContact N-O 2.95Å; S15-S31 PolarHBondContact O-N 2.84Å; S15-S31 WeakPolarHBondContact OG-CB 3.2Å; S15-S31 PolarHBondContact OG-O 2.83Å
16L84.4Confident82.6Confident32 Ų3259.6 Ų59.617%0.16835%0.352CS..EExtended strand (participates in β ladder)trans-101.7114169.8175.770.3000108.1L6 F28 V30 K168 V169L6-L16 HydrophobicContact CD1-CB 3.65Å; L6-L16 HydrophobicContact CD1-CD2 4.47Å; L16-F28 HydrophobicContact CD1-CB 4.4Å; L16-V30 HydrophobicContact CD1-CG2 3.75Å; L16-K168 HydrophobicContact CD2-CD 3.99Å; L16-K168 HydrophobicContact CD2-CG 4.36Å; L16-V169 HydrophobicContact CD1-CG2 3.81Å; L16-V169 HydrophobicContact CD2-CG2 4.15Å
17D85.1Confident83.1Confident75 Ų7560.3 Ų60.340%0.40136%0.355SS..EExtended strand (participates in β ladder)trans-98.5140168.5-174.342.7000109.5Q19 F28 T29D17-Q19 WeakPolarHBondContact OD2-CG 3.47Å; D17-Q19 PolarHBondContact OD2-NE2 2.94Å; D17-F28 WeakPolarHBondContact O-CA 3.4Å; D17-T29 PolarHBondContact N-O 2.83Å; D17-T29 PolarHBondContact O-N 3.18Å
18C84.6Confident83.4Confident56 Ų5659.3 Ų59.338%0.37835%0.347SS..EExtended strand (participates in β ladder)trans-131.5102.4-176.81770000108.9E27 F28C18-E27 CarbonylContact C-O 3.5Å; C18-E27 WeakPolarHBondContact CA-O 3.38Å; C18-F28 HydrophobicContact CB-CD1 4.32Å
19Q85.2Confident83.5Confident89 Ų8959.2 Ų59.242%0.41635%0.348SS..EExtended strand (participates in β ladder)trans-99.6120.9178.8-64.5-174.638.800109.6D17 R26 E27D17-Q19 WeakPolarHBondContact OD2-CG 3.47Å; D17-Q19 PolarHBondContact OD2-NE2 2.94Å; Q19-R26 WeakPolarHBondContact O-CA 3.41Å; Q19-E27 HydrophobicContact CB-CB 4.49Å; Q19-E27 PolarHBondContact N-O 3.23Å; Q19-E27 PolarHBondContact O-N 3.39Å
20T83.8Confident83.7Confident77 Ų7756.7 Ų56.747%0.47234%0.335SS..EExtended strand (participates in β ladder)trans-99.8108175.4-59.40000108.4S22 R26T20-S22 WeakPolarHBondContact CG2-O 3.22Å; T20-R26 PolarHBondContact OG1-NE 3.25Å
21H80.7Confident83.7Confident121 Ų12152.8 Ų52.856%0.5631%0.307SS*.EExtended strand (participates in β ladder)trans-83.9-32.6177.8-72.4-79.4000112.2C25 E27H21-C25 HydrophobicContact CB-CB 4.31Å; H21-C25 PolarHBondContact N-O 2.91Å; H21-E27 IonicContact NE2-OE2 3.52Å
22S80.6Confident83.5Confident61 Ų6151.7 Ų51.743%0.42729%0.292SS..EExtended strand (participates in β ladder)trans-155.8171.8179.41790000110.6T20 F24 C25T20-S22 WeakPolarHBondContact CG2-O 3.22Å; S22-F24 PolarHBondContact O-N 2.84Å; S22-F24 VanDerWaalsContact O-N 3.08Å; S22-C25 PolarHBondContact N-O 2.81Å; S22-C25 VanDerWaalsContact N-O 3.1Å; S22-C25 PolarHBondContact O-N 2.87Å; S22-C25 VanDerWaalsContact O-O 3.06Å
23S78.3Confident82.7Confident69 Ų6949.6 Ų49.648%0.48329%0.288SS..THydrogen-bonded Turntrans-58-21.2174.454.60000113.7
24F80.8Confident81.8Confident88 Ų8852.8 Ų52.839%0.38629%0.291SS..THydrogen-bonded Turntrans-117.92.1-178.8-57.7-74.7000114.1S22 G93 K179 C180S22-F24 PolarHBondContact O-N 2.84Å; S22-F24 VanDerWaalsContact O-N 3.08Å; F24-G93 PolarHBondContact O-N 3.04Å; F24-K179 HydrophobicContact CD1-CB 4.28Å; F24-K179 HydrophobicContact CE1-CB 3.81Å; F24-C180 WeakPolarHBondContact CD1-SG 3.49Å
25C85.8Confident80.6Confident26 Ų2656.2 Ų56.218%0.17631%0.308CS..EExtended strand (participates in β ladder)trans-134.2116.7-174.9-174.70000110.5H21 S22 V91H21-C25 HydrophobicContact CB-CB 4.31Å; H21-C25 PolarHBondContact N-O 2.91Å; S22-C25 PolarHBondContact N-O 2.81Å; S22-C25 VanDerWaalsContact N-O 3.1Å; S22-C25 PolarHBondContact O-N 2.87Å; S22-C25 VanDerWaalsContact O-O 3.06Å; C25-V91 WeakPolarHBondContact CA-O 3.3Å
26R88.9Confident79.5Confident40 Ų4056 Ų5615%0.15131%0.306CS..EExtended strand (participates in β ladder)trans-140.7135.4-178.7-168.8175.9-77.3162.8-7.6110.3Q19 T20 F28 V91 S172 E175 I176Q19-R26 WeakPolarHBondContact O-CA 3.41Å; T20-R26 PolarHBondContact OG1-NE 3.25Å; R26-F28 HydrophobicContact CB-CE2 4.37Å; R26-F28 HydrophobicContact CB-CZ 4.37Å; R26-F28 HydrophobicContact CG-CE1 4.1Å; R26-F28 HydrophobicContact CG-CE2 4.1Å; R26-F28 HydrophobicContact CG-CZ 3.73Å; R26-V91 PolarHBondContact N-O 3.37Å; R26-V91 PolarHBondContact O-N 2.91Å; R26-S172 PolarHBondContact NH1-O 3.37Å; R26-E175 IonicContact NH1-OE2 3.85Å; R26-E175 PolarHBondContact NH1-OE2 3.31Å; R26-I176 HydrophobicContact CB-CD1 3.35Å; R26-I176 HydrophobicContact CG-CD1 4.31Å
27E90.6Very high78.6Confident50 Ų5060.8 Ų60.823%0.23433%0.33CS..EExtended strand (participates in β ladder)trans-110.1131.3177-169.5175.9-173.600109.9C18 Q19 H21 L89 L90C18-E27 CarbonylContact C-O 3.5Å; C18-E27 WeakPolarHBondContact CA-O 3.38Å; Q19-E27 HydrophobicContact CB-CB 4.49Å; Q19-E27 PolarHBondContact N-O 3.23Å; Q19-E27 PolarHBondContact O-N 3.39Å; H21-E27 IonicContact NE2-OE2 3.52Å; E27-L89 CarbonylContact C-O 3.6Å; E27-L89 WeakPolarHBondContact CA-O 3.23Å; E27-L90 HydrophobicContact CB-CD1 3.88Å; E27-L90 HydrophobicContact CG-CB 4.37Å; E27-L90 HydrophobicContact CG-CD1 4.36Å
28F88.9Confident77.8Confident2 Ų259.1 Ų59.11%0.00933%0.331CS..EExtended strand (participates in β ladder)trans-113112.9173.9-54.3-84.5000108.8L16 D17 C18 R26 S88 L89 V91 V169 S172L16-F28 HydrophobicContact CD1-CB 4.4Å; D17-F28 WeakPolarHBondContact O-CA 3.4Å; C18-F28 HydrophobicContact CB-CD1 4.32Å; R26-F28 HydrophobicContact CB-CE2 4.37Å; R26-F28 HydrophobicContact CB-CZ 4.37Å; R26-F28 HydrophobicContact CG-CE1 4.1Å; R26-F28 HydrophobicContact CG-CE2 4.1Å; R26-F28 HydrophobicContact CG-CZ 3.73Å; F28-S88 CarbonylContact O-C 3.5Å; F28-S88 VanDerWaalsContact O-CA 3.3Å; F28-S88 WeakPolarHBondContact O-CA 3.47Å; F28-L89 HydrophobicContact CB-CB 4.35Å; F28-L89 HydrophobicContact CD2-CD2 4.28Å; F28-L89 PolarHBondContact N-O 2.95Å; F28-L89 PolarHBondContact O-N 3.27Å; F28-V91 HydrophobicContact CD2-CG2 4.45Å; F28-V91 HydrophobicContact CE2-CG2 4.11Å; F28-V169 HydrophobicContact CB-CG1 4.35Å; F28-V169 HydrophobicContact CB-CG2 4.42Å; F28-V169 HydrophobicContact CD1-CG1 4.28Å; F28-V169 HydrophobicContact CD1-CG2 4.17Å; F28-V169 HydrophobicContact CD2-CG1 4.04Å; F28-V169 HydrophobicContact CE2-CG1 4.41Å; F28-V169 HydrophobicContact CG-CG1 3.96Å; F28-V169 HydrophobicContact CG-CG2 4.36Å; F28-S172 VanDerWaalsContact CE1-CB 3.43Å
29T86.1Confident77.2Confident18 Ų1863 Ų6311%0.1134%0.341CS..EExtended strand (participates in β ladder)trans-106.8111.7178.8-62.90000109D17 S88D17-T29 PolarHBondContact N-O 2.83Å; D17-T29 PolarHBondContact O-N 3.18Å; T29-S88 WeakPolarHBondContact CG2-OG 3.47Å; T29-S88 PolarHBondContact OG1-OG 2.82Å
30V85.2Confident76.7Confident1 Ų160.9 Ų60.91%0.00633%0.334CS..EExtended strand (participates in β ladder)trans-94.8112.5173.8-179.20000107.8I14 L16 E87 F156 S159 P161I14-V30 HydrophobicContact CD1-CG1 4.33Å; I14-V30 HydrophobicContact CG2-CG1 3.46Å; I14-V30 VanDerWaalsContact CG2-CG1 3.46Å; L16-V30 HydrophobicContact CD1-CG2 3.75Å; V30-E87 PolarHBondContact N-O 2.89Å; V30-E87 PolarHBondContact O-N 3.08Å; V30-F156 HydrophobicContact CB-CD1 3.87Å; V30-F156 HydrophobicContact CB-CE1 3.87Å; V30-F156 HydrophobicContact CG2-CD1 3.65Å; V30-F156 HydrophobicContact CG2-CE1 3.34Å; V30-F156 HydrophobicContact CG2-CG 4.39Å; V30-F156 HydrophobicContact CG2-CZ 3.86Å; V30-S159 WeakPolarHBondContact CG1-OG 3.47Å; V30-P161 HydrophobicContact CG1-CG 4.27Å
31S80.4Confident76.4Confident16 Ų1663.5 Ų63.511%0.11234%0.342CS..EExtended strand (participates in β ladder)trans-110.8129.4179.1-56.90000110.5S15 H86S15-S31 PolarHBondContact N-O 2.95Å; S15-S31 PolarHBondContact O-N 2.84Å; S15-S31 WeakPolarHBondContact OG-CB 3.2Å; S15-S31 PolarHBondContact OG-O 2.83Å; S31-H86 WeakPolarHBondContact CB-ND1 3.28Å; S31-H86 PolarHBondContact OG-CE1 2.87Å; S31-H86 PolarHBondContact OG-ND1 3.27Å
32S72Confident76.5Confident23 Ų2362.1 Ų62.116%0.16134%0.342CS..PPolyproline II helixtrans-81.6151.9170.3-72.30000109.8K34S32-K34 PolarHBondContact O-N 2.99Å
33P65.7Low76.5Confident52 Ų5266.8 Ų66.834%0.33835%0.352SS..PPolyproline II helixtrans-61119.4179.9-20.528.9000108.9K12 A13 M35K12-P33 HydrophobicContact CD-CG 4.21Å; K12-P33 HydrophobicContact CG-CG 3.95Å; K12-P33 PolarHBondContact NZ-O 2.81Å; A13-P33 WeakPolarHBondContact O-CD 3.47Å; A13-P33 WeakPolarHBondContact O-CG 3.28Å; P33-M35 PolarHBondContact O-N 3.37Å
34K62.8Low76.7Confident129 Ų12965.7 Ų65.756%0.56134%0.342SS*.PPolyproline II helixtrans-53.5132.5171.4-68.9-179.9177.2175.60107.5S32 S36 H86S32-K34 PolarHBondContact O-N 2.99Å; K34-S36 PolarHBondContact O-N 3.15Å; K34-S36 VanDerWaalsContact O-N 3.16Å; K34-H86 VanDerWaalsContact CE-NE2 3.33Å; K34-H86 WeakPolarHBondContact CE-NE2 3.32Å
35M60Low76.8Confident85 Ų8564.8 Ų64.842%0.41935%0.346SS..PPolyproline II helixtrans-53.9127.3166.4-83.8-146.8130.700108.9P33 I37 H78 V82P33-M35 PolarHBondContact O-N 3.37Å; M35-I37 PolarHBondContact O-N 3.29Å; M35-H78 PolarHBondContact SD-CE1 3.46Å; M35-H78 PolarHBondContact SD-NE2 3.23Å; M35-V82 HydrophobicContact CB-CG1 4.46Å; M35-V82 HydrophobicContact CE-CG1 4.38Å; M35-V82 HydrophobicContact CG-CG1 3.51Å; M35-V82 HydrophobicContact SD-CB 4.35Å; M35-V82 HydrophobicContact SD-CG1 3.29Å; M35-V82 WeakPolarHBondContact SD-CG1 3.2Å; M35-V82 HydrophobicContact SD-CG2 4.2Å
36S60.2Low76.7Confident65 Ų6566.4 Ų66.446%0.45536%0.358SS..  trans-61.6109.2177.51760000108.2K34 G38 K39 V40K34-S36 PolarHBondContact O-N 3.15Å; K34-S36 VanDerWaalsContact O-N 3.16Å; S36-G38 PolarHBondContact O-N 2.84Å; S36-G38 VanDerWaalsContact O-N 3.17Å; S36-K39 WeakPolarHBondContact O-CB 3.28Å; S36-K39 PolarHBondContact O-N 3.45Å; S36-V40 PolarHBondContact O-N 3.22Å
37I65.8Low76.4Confident134 Ų13467.8 Ų67.869%0.68737%0.371SS*.Hα-helixtrans-53.6-33.9174.4-65.9165.2000109.7M35 K39 V40 M41M35-I37 PolarHBondContact O-N 3.29Å; I37-K39 PolarHBondContact O-N 2.76Å; I37-V40 PolarHBondContact O-N 3.46Å; I37-M41 WeakPolarHBondContact O-CB 3.37Å; I37-M41 PolarHBondContact O-N 3.29Å
38G68.3Low76.1Confident39 Ų3971.7 Ų71.740%0.40238%0.383SS..Hα-helixtrans-58.7-41.7173.700000113.4S36 M41 V42S36-G38 PolarHBondContact O-N 2.84Å; S36-G38 VanDerWaalsContact O-N 3.17Å; G38-M41 PolarHBondContact O-N 3.34Å; G38-V42 VanDerWaalsContact O-CG2 3.29Å; G38-V42 WeakPolarHBondContact O-CG2 3.49Å; G38-V42 PolarHBondContact O-N 2.86Å
39K71.4Confident75.9Confident138 Ų13877.5 Ų77.560%0.641%0.414SS*.Hα-helixtrans-64.5-44.8175.6-71.4-178.4178.1170.30111.3S36 I37 M41 V42 Y43S36-K39 WeakPolarHBondContact O-CB 3.28Å; S36-K39 PolarHBondContact O-N 3.45Å; I37-K39 PolarHBondContact O-N 2.76Å; K39-M41 VanDerWaalsContact C-N 3.3Å; K39-M41 PolarHBondContact O-N 2.98Å; K39-V42 PolarHBondContact O-N 3.25Å; K39-Y43 HydrophobicContact CB-CE2 4.19Å; K39-Y43 WeakPolarHBondContact O-CD2 3.42Å; K39-Y43 PolarHBondContact O-N 2.88Å
40V75.1Confident75.8Confident44 Ų4482.5 Ų82.527%0.26744%0.439SS..Hα-helixtrans-60.3-43.7176.3-179.80000110.5S36 I37 V42 Y43 T44S36-V40 PolarHBondContact O-N 3.22Å; I37-V40 PolarHBondContact O-N 3.46Å; V40-V42 PolarHBondContact O-N 2.86Å; V40-Y43 PolarHBondContact O-N 2.82Å; V40-T44 HydrophobicContact CG1-CG2 4.45Å; V40-T44 WeakPolarHBondContact O-CG2 3.28Å; V40-T44 PolarHBondContact O-N 3.42Å; V40-T44 PolarHBondContact O-OG1 3.13Å
41M77.4Confident75.7Confident132 Ų13283 Ų8365%0.6544%0.444SS*.Hα-helixtrans-64.3-39.2178.3-171.2179.2-178.900112.6I37 G38 K39 T44 C45I37-M41 WeakPolarHBondContact O-CB 3.37Å; I37-M41 PolarHBondContact O-N 3.29Å; G38-M41 PolarHBondContact O-N 3.34Å; K39-M41 VanDerWaalsContact C-N 3.3Å; K39-M41 PolarHBondContact O-N 2.98Å; M41-T44 WeakPolarHBondContact CA-OG1 3.1Å; M41-T44 PolarHBondContact O-OG1 2.88Å; M41-C45 WeakPolarHBondContact O-CB 3.36Å; M41-C45 PolarHBondContact O-N 2.94Å
42V82.7Confident75.8Confident92 Ų9289.4 Ų89.456%0.55847%0.466SS*.Hα-helixtrans-64.7-46.3174.7169.70000110.3G38 K39 V40 T44 C45 S46G38-V42 VanDerWaalsContact O-CG2 3.29Å; G38-V42 WeakPolarHBondContact O-CG2 3.49Å; G38-V42 PolarHBondContact O-N 2.86Å; K39-V42 PolarHBondContact O-N 3.25Å; V40-V42 PolarHBondContact O-N 2.86Å; V42-T44 PolarHBondContact O-N 2.99Å; V42-C45 PolarHBondContact O-N 3.03Å; V42-S46 WeakPolarHBondContact O-CB 3.48Å; V42-S46 PolarHBondContact O-N 3.16Å; V42-S46 PolarHBondContact O-OG 3.33Å
43Y79.9Confident76.3Confident159 Ų15990.3 Ų90.362%0.62448%0.479SS*.Hα-helixtrans-61.9-44.4178-68.1-56.3000112.1K39 V40 S46 V47K39-Y43 HydrophobicContact CB-CE2 4.19Å; K39-Y43 WeakPolarHBondContact O-CD2 3.42Å; K39-Y43 PolarHBondContact O-N 2.88Å; V40-Y43 PolarHBondContact O-N 2.82Å; Y43-S46 PolarHBondContact O-N 3.12Å; Y43-V47 VanDerWaalsContact O-CG2 3.32Å; Y43-V47 WeakPolarHBondContact O-CG2 3.24Å; Y43-V47 PolarHBondContact O-N 2.97Å; Y43-V47 VanDerWaalsContact O-N 3.12Å
44T82.2Confident77.1Confident47 Ų4790.7 Ų90.729%0.28848%0.48SS..Hα-helixtrans-65.2-46.3177.355.40000111.2V40 M41 V42 S46 V47 W48V40-T44 HydrophobicContact CG1-CG2 4.45Å; V40-T44 WeakPolarHBondContact O-CG2 3.28Å; V40-T44 PolarHBondContact O-N 3.42Å; V40-T44 PolarHBondContact O-OG1 3.13Å; M41-T44 WeakPolarHBondContact CA-OG1 3.1Å; M41-T44 PolarHBondContact O-OG1 2.88Å; V42-T44 PolarHBondContact O-N 2.99Å; T44-S46 VanDerWaalsContact C-N 3.3Å; T44-S46 PolarHBondContact O-N 3Å; T44-V47 PolarHBondContact O-N 3.39Å; T44-W48 PolarHBondContact O-N 3.19Å
45C82.9Confident78Confident69 Ų6987.2 Ų87.247%0.46647%0.466SS..Hα-helixtrans-61-39.5178.8-162.60000112.2M41 V42 W48 L49M41-C45 WeakPolarHBondContact O-CB 3.36Å; M41-C45 PolarHBondContact O-N 2.94Å; V42-C45 PolarHBondContact O-N 3.03Å; C45-W48 PolarHBondContact O-N 3.39Å; C45-L49 WeakPolarHBondContact O-CG 3.47Å; C45-L49 PolarHBondContact O-N 3.13Å
46S83.7Confident79Confident59 Ų5991.1 Ų91.141%0.41348%0.48SS..Hα-helixtrans-60.2-46.6175.3-52.60000112V42 Y43 T44 W48 L49 L50V42-S46 WeakPolarHBondContact O-CB 3.48Å; V42-S46 PolarHBondContact O-N 3.16Å; V42-S46 PolarHBondContact O-OG 3.33Å; Y43-S46 PolarHBondContact O-N 3.12Å; T44-S46 VanDerWaalsContact C-N 3.3Å; T44-S46 PolarHBondContact O-N 3Å; S46-W48 VanDerWaalsContact C-N 3.33Å; S46-W48 PolarHBondContact O-N 3.03Å; S46-L49 PolarHBondContact O-N 2.78Å; S46-L50 PolarHBondContact O-N 3.42Å; S46-L50 VanDerWaalsContact O-N 3.09Å
47V83.6Confident79.9Confident70 Ų7096.8 Ų96.842%0.42450%0.497SS..Hα-helixtrans-63.6-40.1178.4172.90000111.1Y43 T44 L50 A51 T71Y43-V47 VanDerWaalsContact O-CG2 3.32Å; Y43-V47 WeakPolarHBondContact O-CG2 3.24Å; Y43-V47 PolarHBondContact O-N 2.97Å; Y43-V47 VanDerWaalsContact O-N 3.12Å; T44-V47 PolarHBondContact O-N 3.39Å; V47-L50 PolarHBondContact O-N 3.2Å; V47-A51 WeakPolarHBondContact O-CB 3.23Å; V47-A51 PolarHBondContact O-N 3.31Å; V47-T71 HydrophobicContact CB-CG2 4.27Å; V47-T71 HydrophobicContact CG1-CG2 3.48Å; V47-T71 VanDerWaalsContact CG1-CG2 3.48Å
48W83.9Confident80.6Confident132 Ų13293.9 Ų93.950%0.549%0.486SS..Hα-helixtrans-68.7-40.9178.8-82.667.4000112.8T44 C45 S46 L50 A51 Y52 I68T44-W48 PolarHBondContact O-N 3.19Å; C45-W48 PolarHBondContact O-N 3.39Å; S46-W48 VanDerWaalsContact C-N 3.33Å; S46-W48 PolarHBondContact O-N 3.03Å; W48-L50 VanDerWaalsContact C-N 3.34Å; W48-L50 PolarHBondContact O-N 2.99Å; W48-A51 PolarHBondContact O-N 3.1Å; W48-Y52 WeakPolarHBondContact O-CB 3.42Å; W48-Y52 PolarHBondContact O-N 3.11Å; W48-I68 HydrophobicContact CH2-CD1 4.2Å; W48-I68 HydrophobicContact CH2-CG1 3.77Å; W48-I68 HydrophobicContact CZ2-CG1 4.02Å; W48-I68 HydrophobicContact CZ3-CG1 4.4Å
49L85.5Confident81.2Confident123 Ų123100.2 Ų100.264%0.64451%0.505SS*.Hα-helixtrans-61.9-42174.3-75.2170000111.7C45 S46 Y52 G53C45-L49 WeakPolarHBondContact O-CG 3.47Å; C45-L49 PolarHBondContact O-N 3.13Å; S46-L49 PolarHBondContact O-N 2.78Å; L49-Y52 PolarHBondContact O-N 2.87Å; L49-G53 PolarHBondContact O-N 3.21Å
50L83.7Confident81.5Confident123 Ų12396.9 Ų96.964%0.64449%0.494SS*.Hα-helixtrans-64.3-46.2176.7-121.5159.2000111.5S46 V47 W48 Y52 G53 V54S46-L50 PolarHBondContact O-N 3.42Å; S46-L50 VanDerWaalsContact O-N 3.09Å; V47-L50 PolarHBondContact O-N 3.2Å; W48-L50 VanDerWaalsContact C-N 3.34Å; W48-L50 PolarHBondContact O-N 2.99Å; L50-Y52 VanDerWaalsContact C-N 3.31Å; L50-Y52 PolarHBondContact O-N 2.95Å; L50-G53 PolarHBondContact O-N 3.05Å; L50-V54 WeakPolarHBondContact O-CG2 3.34Å; L50-V54 PolarHBondContact O-N 2.77Å
51A82.8Confident81.7Confident13 Ų1399.5 Ų99.511%0.10751%0.51CS..Hα-helixtrans-61-39.917700000112.2V47 W48 V54 F55 A67V47-A51 WeakPolarHBondContact O-CB 3.23Å; V47-A51 PolarHBondContact O-N 3.31Å; W48-A51 PolarHBondContact O-N 3.1Å; A51-V54 PolarHBondContact O-N 3.34Å; A51-F55 WeakPolarHBondContact O-CB 3.35Å; A51-F55 PolarHBondContact O-N 3.04Å; A51-A67 HydrophobicContact CB-CB 3.69Å
52Y83.1Confident81.9Confident149 Ų14997.9 Ų97.958%0.58451%0.507SS*.Hα-helixtrans-67.5-39.6176.3-168.5-100.1000112.4W48 L49 L50 F55 F56W48-Y52 WeakPolarHBondContact O-CB 3.42Å; W48-Y52 PolarHBondContact O-N 3.11Å; L49-Y52 PolarHBondContact O-N 2.87Å; L50-Y52 VanDerWaalsContact C-N 3.31Å; L50-Y52 PolarHBondContact O-N 2.95Å; Y52-F55 WeakPolarHBondContact O-CB 3.28Å; Y52-F55 PolarHBondContact O-N 3.23Å; Y52-F56 PolarHBondContact O-N 2.78Å
53G82.4Confident81.8Confident42 Ų4295.5 Ų95.543%0.43349%0.493SS..Hα-helixtrans-62-42.5174.300000112.9L49 L50 F56 F57L49-G53 PolarHBondContact O-N 3.21Å; L50-G53 PolarHBondContact O-N 3.05Å; G53-F56 PolarHBondContact O-N 3.36Å; G53-F57 PolarHBondContact O-N 3.44Å
54V81.4Confident81.8Confident60 Ų6090.3 Ų90.336%0.36448%0.476SS..Hα-helixtrans-67.7-38.2175.9178.70000111.4L50 A51 F57 T58 V63L50-V54 WeakPolarHBondContact O-CG2 3.34Å; L50-V54 PolarHBondContact O-N 2.77Å; A51-V54 PolarHBondContact O-N 3.34Å; V54-F57 PolarHBondContact O-N 3.09Å; V54-T58 WeakPolarHBondContact O-CB 3.29Å; V54-T58 PolarHBondContact O-N 2.59Å; V54-T58 PolarHBondContact O-OG1 2.83Å; V54-V63 HydrophobicContact CB-CG1 4.35Å; V54-V63 HydrophobicContact CG1-CG1 3.83Å
55F82.4Confident81.8Confident57 Ų5791.2 Ų91.225%0.2548%0.484CS..Hα-helixtrans-59.8-45173.9174-101.6000111.8A51 Y52 F57 T58 E59 T61 L64A51-F55 WeakPolarHBondContact O-CB 3.35Å; A51-F55 PolarHBondContact O-N 3.04Å; Y52-F55 WeakPolarHBondContact O-CB 3.28Å; Y52-F55 PolarHBondContact O-N 3.23Å; F55-F57 VanDerWaalsContact C-N 3.26Å; F55-F57 PolarHBondContact O-N 2.84Å; F55-T58 PolarHBondContact O-N 3.24Å; F55-E59 WeakPolarHBondContact O-CA 3.43Å; F55-E59 PolarHBondContact O-N 3.17Å; F55-T61 HydrophobicContact CE2-CG2 3.98Å; F55-L64 HydrophobicContact CD2-CB 4.36Å
56F79.8Confident81.8Confident166 Ų16690.4 Ų90.473%0.72848%0.479SS*.Hα-helixtrans-60.1-35177.8-175-98.3000112.8Y52 G53Y52-F56 PolarHBondContact O-N 2.78Å; G53-F56 PolarHBondContact O-N 3.36Å
57F80.9Confident81.7Confident185 Ų18588.5 Ų88.581%0.81147%0.467SS*.Hα-helixtrans-82.4-29.5-179.8-164.7-96.8000113.8G53 V54 F55G53-F57 PolarHBondContact O-N 3.44Å; V54-F57 PolarHBondContact O-N 3.09Å; F55-F57 VanDerWaalsContact C-N 3.26Å; F55-F57 PolarHBondContact O-N 2.84Å
58T79.9Confident81.7Confident72 Ų7288.4 Ų88.444%0.44246%0.464SS..Hα-helixtrans-107.3-12.2-169.5-360000113V54 F55 N60V54-T58 WeakPolarHBondContact O-CB 3.29Å; V54-T58 PolarHBondContact O-N 2.59Å; V54-T58 PolarHBondContact O-OG1 2.83Å; F55-T58 PolarHBondContact O-N 3.24Å; T58-N60 HydrophobicContact CG2-CB 3.91Å; T58-N60 PolarHBondContact O-N 3.48Å
59E79.9Confident81.6Confident172 Ų17287.2 Ų87.280%0.80447%0.466SS*.  trans4820.2-171.5-65.2-167146.300114.4F55F55-E59 WeakPolarHBondContact O-CA 3.43Å; F55-E59 PolarHBondContact O-N 3.17Å
60N77.8Confident81.6Confident68 Ų6887.2 Ų87.236%0.36447%0.466SS..  trans-102.3109.1-170.1-167.1-26.3000110.5T58 T62 V63T58-N60 HydrophobicContact CG2-CB 3.91Å; T58-N60 PolarHBondContact O-N 3.48Å; N60-T62 PolarHBondContact O-N 2.83Å; N60-T62 VanDerWaalsContact OD1-CB 3.26Å; N60-T62 WeakPolarHBondContact OD1-CB 3.47Å; N60-T62 PolarHBondContact OD1-N 2.81Å; N60-T62 VanDerWaalsContact OD1-N 3.08Å; N60-T62 PolarHBondContact OD1-OG1 2.8Å; N60-V63 HydrophobicContact CB-CG2 4.21Å; N60-V63 PolarHBondContact O-N 3.49Å
61T80.3Confident81.6Confident99 Ų9982.5 Ų82.561%0.60744%0.442SS*.Hα-helixtrans-65.2-22.6-178.653.40000113.3F55 V63 L64 S65F55-T61 HydrophobicContact CE2-CG2 3.98Å; T61-V63 VanDerWaalsContact C-N 3.29Å; T61-V63 PolarHBondContact O-N 2.8Å; T61-L64 PolarHBondContact O-N 2.92Å; T61-S65 PolarHBondContact O-N 2.85Å; T61-S65 VanDerWaalsContact O-N 3.11Å
62T81.3Confident81.6Confident98 Ų9886.6 Ų86.660%0.60146%0.462SS*.Hα-helixtrans-64.3-34.6177.4-50.60000111.8N60 S65 S66N60-T62 PolarHBondContact O-N 2.83Å; N60-T62 VanDerWaalsContact OD1-CB 3.26Å; N60-T62 WeakPolarHBondContact OD1-CB 3.47Å; N60-T62 PolarHBondContact OD1-N 2.81Å; N60-T62 VanDerWaalsContact OD1-N 3.08Å; N60-T62 PolarHBondContact OD1-OG1 2.8Å; T62-S65 PolarHBondContact O-N 2.78Å; T62-S66 WeakPolarHBondContact O-CB 3.47Å; T62-S66 PolarHBondContact O-N 3.18Å; T62-S66 PolarHBondContact O-OG 2.8Å
63V79.6Confident81.5Confident42 Ų4283.5 Ų83.526%0.25546%0.458SS..Hα-helixtrans-64.1-46.9178.7179.30000110.3V54 N60 T61 S66 A67V54-V63 HydrophobicContact CB-CG1 4.35Å; V54-V63 HydrophobicContact CG1-CG1 3.83Å; N60-V63 HydrophobicContact CB-CG2 4.21Å; N60-V63 PolarHBondContact O-N 3.49Å; T61-V63 VanDerWaalsContact C-N 3.29Å; T61-V63 PolarHBondContact O-N 2.8Å; V63-S66 PolarHBondContact O-N 2.9Å; V63-S66 PolarHBondContact O-OG 2.85Å; V63-A67 PolarHBondContact O-N 2.88Å; V63-A67 VanDerWaalsContact O-N 3.08Å
64L80.3Confident81.4Confident50 Ų5083.2 Ų83.226%0.26246%0.455SS..Hα-helixtrans-64.2-43.9179.3-171.364.5000111.7F55 T61 S66 A67 I68F55-L64 HydrophobicContact CD2-CB 4.36Å; T61-L64 PolarHBondContact O-N 2.92Å; L64-S66 PolarHBondContact O-N 3.07Å; L64-A67 PolarHBondContact O-N 2.82Å; L64-I68 HydrophobicContact CG-CD1 4.35Å; L64-I68 WeakPolarHBondContact O-CG1 3.37Å; L64-I68 PolarHBondContact O-N 3.07Å; L64-I68 VanDerWaalsContact O-N 3.14Å
65S82.1Confident81.1Confident67 Ų6784.1 Ų84.147%0.46946%0.457SS..Hα-helixtrans-61.6-43.3177.4-179.70000112.4T61 T62 A67 I68 L69T61-S65 PolarHBondContact O-N 2.85Å; T61-S65 VanDerWaalsContact O-N 3.11Å; T62-S65 PolarHBondContact O-N 2.78Å; S65-A67 PolarHBondContact O-N 2.84Å; S65-I68 PolarHBondContact O-N 3.48Å; S65-L69 PolarHBondContact O-N 2.81Å; S65-L69 VanDerWaalsContact O-N 3.14Å
66S82.7Confident80.6Confident52 Ų5287.6 Ų87.636%0.36448%0.475SS..Hα-helixtrans-64.7-39.7178.271.30000112.8T62 V63 L64 I68 L69 I70T62-S66 WeakPolarHBondContact O-CB 3.47Å; T62-S66 PolarHBondContact O-N 3.18Å; T62-S66 PolarHBondContact O-OG 2.8Å; V63-S66 PolarHBondContact O-N 2.9Å; V63-S66 PolarHBondContact O-OG 2.85Å; L64-S66 PolarHBondContact O-N 3.07Å; S66-I68 VanDerWaalsContact C-N 3.35Å; S66-I68 PolarHBondContact O-N 2.79Å; S66-L69 PolarHBondContact O-N 2.85Å; S66-I70 VanDerWaalsContact O-CG1 3.3Å; S66-I70 WeakPolarHBondContact O-CG1 3.38Å; S66-I70 PolarHBondContact O-N 2.78Å
67A81.5Confident80.2Confident19 Ų1984.2 Ų84.216%0.15746%0.464CS..Hα-helixtrans-64.4-38.4176.900000112.1A51 V63 L64 S65 T71A51-A67 HydrophobicContact CB-CB 3.69Å; V63-A67 PolarHBondContact O-N 2.88Å; V63-A67 VanDerWaalsContact O-N 3.08Å; L64-A67 PolarHBondContact O-N 2.82Å; S65-A67 PolarHBondContact O-N 2.84Å; A67-T71 WeakPolarHBondContact O-CB 3.45Å; A67-T71 VanDerWaalsContact O-CG2 3.3Å; A67-T71 WeakPolarHBondContact O-CG2 3.42Å; A67-T71 PolarHBondContact O-N 2.82Å; A67-T71 PolarHBondContact O-OG1 2.8Å
68I83.9Confident79.7Confident68 Ų6878.8 Ų78.835%0.34944%0.441SS..Hα-helixtrans-63.3-46.2175.4-67.1166.2000110.6W48 L64 S65 S66 T71 L72W48-I68 HydrophobicContact CH2-CD1 4.2Å; W48-I68 HydrophobicContact CH2-CG1 3.77Å; W48-I68 HydrophobicContact CZ2-CG1 4.02Å; W48-I68 HydrophobicContact CZ3-CG1 4.4Å; L64-I68 HydrophobicContact CG-CD1 4.35Å; L64-I68 WeakPolarHBondContact O-CG1 3.37Å; L64-I68 PolarHBondContact O-N 3.07Å; L64-I68 VanDerWaalsContact O-N 3.14Å; S65-I68 PolarHBondContact O-N 3.48Å; S66-I68 VanDerWaalsContact C-N 3.35Å; S66-I68 PolarHBondContact O-N 2.79Å; I68-T71 WeakPolarHBondContact CA-OG1 3.29Å; I68-T71 PolarHBondContact O-N 2.82Å; I68-T71 PolarHBondContact O-OG1 2.88Å; I68-L72 WeakPolarHBondContact O-CB 3.37Å; I68-L72 PolarHBondContact O-N 3Å
69L83.2Confident79.1Confident106 Ų10679.4 Ų79.456%0.55544%0.441SS*.Hα-helixtrans-62.8-46.6178.9-73170.7000111.8S65 S66 T71 L72 T73S65-L69 PolarHBondContact O-N 2.81Å; S65-L69 VanDerWaalsContact O-N 3.14Å; S66-L69 PolarHBondContact O-N 2.85Å; L69-T71 PolarHBondContact O-N 2.94Å; L69-L72 PolarHBondContact O-N 3.1Å; L69-T73 WeakPolarHBondContact O-CB 3.47Å; L69-T73 PolarHBondContact O-N 3.08Å; L69-T73 PolarHBondContact O-OG1 2.9Å; L69-T73 VanDerWaalsContact O-OG1 3.05Å
70I84.7Confident78.3Confident123 Ų12378.5 Ų78.563%0.63144%0.436SS*.Hα-helixtrans-61.9-43.6178.9-67.4166.3000111S66 G74S66-I70 VanDerWaalsContact O-CG1 3.3Å; S66-I70 WeakPolarHBondContact O-CG1 3.38Å; S66-I70 PolarHBondContact O-N 2.78Å; I70-G74 WeakPolarHBondContact O-CA 3.38Å; I70-G74 PolarHBondContact O-N 3.21Å
71T83.5Confident77.3Confident25 Ų2583 Ų8315%0.15345%0.453CS..Hα-helixtrans-67.3-39.2178.550.80000112.2V47 A67 I68 L69 M75V47-T71 HydrophobicContact CB-CG2 4.27Å; V47-T71 HydrophobicContact CG1-CG2 3.48Å; V47-T71 VanDerWaalsContact CG1-CG2 3.48Å; A67-T71 WeakPolarHBondContact O-CB 3.45Å; A67-T71 VanDerWaalsContact O-CG2 3.3Å; A67-T71 WeakPolarHBondContact O-CG2 3.42Å; A67-T71 PolarHBondContact O-N 2.82Å; A67-T71 PolarHBondContact O-OG1 2.8Å; I68-T71 WeakPolarHBondContact CA-OG1 3.29Å; I68-T71 PolarHBondContact O-N 2.82Å; I68-T71 PolarHBondContact O-OG1 2.88Å; L69-T71 PolarHBondContact O-N 2.94Å; T71-M75 VanDerWaalsContact O-CB 3.22Å; T71-M75 WeakPolarHBondContact O-CB 3.43Å; T71-M75 PolarHBondContact O-N 2.77Å
72L81.9Confident76.1Confident99 Ų9981.2 Ų81.252%0.51844%0.442SS..Hα-helixtrans-66.4-47.9177.7-157.987.5000111.7I68 L69 M75 M76I68-L72 WeakPolarHBondContact O-CB 3.37Å; I68-L72 PolarHBondContact O-N 3Å; L69-L72 PolarHBondContact O-N 3.1Å; L72-M75 HydrophobicContact CD1-CE 4.48Å; L72-M75 PolarHBondContact O-N 3.48Å; L72-M76 PolarHBondContact O-N 2.85Å
73T82.1Confident74.8Confident83 Ų8379.3 Ų79.351%0.50943%0.425SS..Hα-helixtrans-66-42.6177.5-55.20000111.2L69 M75 M76 L77L69-T73 WeakPolarHBondContact O-CB 3.47Å; L69-T73 PolarHBondContact O-N 3.08Å; L69-T73 PolarHBondContact O-OG1 2.9Å; L69-T73 VanDerWaalsContact O-OG1 3.05Å; T73-M75 VanDerWaalsContact C-N 3.34Å; T73-M75 PolarHBondContact O-N 3.22Å; T73-M76 PolarHBondContact O-N 2.8Å; T73-L77 HydrophobicContact CG2-CD1 4.09Å; T73-L77 HydrophobicContact CG2-CG 4.47Å; T73-L77 WeakPolarHBondContact O-CB 3.15Å; T73-L77 WeakPolarHBondContact O-CG 3.19Å; T73-L77 PolarHBondContact O-N 3.22Å
74G80.1Confident73.6Confident36 Ų3679.3 Ų79.337%0.37143%0.425SS..Hα-helixtrans-61.1-41.3175.400000112.4I70 H78I70-G74 WeakPolarHBondContact O-CA 3.38Å; I70-G74 PolarHBondContact O-N 3.21Å; G74-H78 WeakPolarHBondContact O-CB 3.41Å; G74-H78 PolarHBondContact O-N 3.42Å
75M75.4Confident72.9Confident80 Ų8078 Ų7839%0.39442%0.418SS..Hα-helixtrans-66.5-43.4175.5-175.5175.367.800111.9T71 L72 T73 H78 I79T71-M75 VanDerWaalsContact O-CB 3.22Å; T71-M75 WeakPolarHBondContact O-CB 3.43Å; T71-M75 PolarHBondContact O-N 2.77Å; L72-M75 HydrophobicContact CD1-CE 4.48Å; L72-M75 PolarHBondContact O-N 3.48Å; T73-M75 VanDerWaalsContact C-N 3.34Å; T73-M75 PolarHBondContact O-N 3.22Å; M75-H78 PolarHBondContact O-N 2.92Å; M75-I79 HydrophobicContact CG-CD1 3.8Å; M75-I79 HydrophobicContact CG-CG1 4.41Å; M75-I79 WeakPolarHBondContact O-CB 3.11Å; M75-I79 VanDerWaalsContact O-CG1 3.25Å; M75-I79 WeakPolarHBondContact O-CG1 3.18Å; M75-I79 PolarHBondContact O-N 3.01Å
76M72.6Confident72.5Confident129 Ų12977.1 Ų77.164%0.63541%0.407SS*.Hα-helixtrans-60.5-47175.5-91.6-67.5160.900112L72 T73 I79 H80L72-M76 PolarHBondContact O-N 2.85Å; T73-M76 PolarHBondContact O-N 2.8Å; M76-I79 PolarHBondContact O-N 3.37Å; M76-H80 WeakPolarHBondContact O-CB 3.07Å; M76-H80 PolarHBondContact O-N 3.03Å
77L71.3Confident72.6Confident95 Ų9575 Ų7550%0.49739%0.391SS..Hα-helixtrans-62.9-44.2175.5-72.2172.6000111.3T73 H80 F81T73-L77 HydrophobicContact CG2-CD1 4.09Å; T73-L77 HydrophobicContact CG2-CG 4.47Å; T73-L77 WeakPolarHBondContact O-CB 3.15Å; T73-L77 WeakPolarHBondContact O-CG 3.19Å; T73-L77 PolarHBondContact O-N 3.22Å; L77-H80 PolarHBondContact O-N 3.46Å; L77-F81 HydrophobicContact CD2-CD2 4.42Å; L77-F81 HydrophobicContact CD2-CE2 4.16Å; L77-F81 VanDerWaalsContact O-CB 3.31Å; L77-F81 WeakPolarHBondContact O-CB 3.24Å; L77-F81 WeakPolarHBondContact O-CD2 3.38Å; L77-F81 PolarHBondContact O-N 2.84Å
78H70.3Confident72.9Confident71 Ų7174.9 Ų74.933%0.32939%0.39SS..Hα-helixtrans-63.4-44.4179.8-176.2-86.4000111.8M35 G74 M75 H80 F81 V82M35-H78 PolarHBondContact SD-CE1 3.46Å; M35-H78 PolarHBondContact SD-NE2 3.23Å; G74-H78 WeakPolarHBondContact O-CB 3.41Å; G74-H78 PolarHBondContact O-N 3.42Å; M75-H78 PolarHBondContact O-N 2.92Å; H78-H80 VanDerWaalsContact C-N 3.31Å; H78-H80 PolarHBondContact O-N 3.05Å; H78-F81 PolarHBondContact O-N 2.87Å; H78-V82 WeakPolarHBondContact O-CB 3.47Å; H78-V82 WeakPolarHBondContact O-CG2 3.47Å; H78-V82 PolarHBondContact O-N 2.84Å
79I67.3Low73.2Confident85 Ų8571.7 Ų71.744%0.43637%0.373SS..Hα-helixtrans-61.4-42.5175.7-68.3166.4000110.8M75 M76M75-I79 HydrophobicContact CG-CD1 3.8Å; M75-I79 HydrophobicContact CG-CG1 4.41Å; M75-I79 WeakPolarHBondContact O-CB 3.11Å; M75-I79 VanDerWaalsContact O-CG1 3.25Å; M75-I79 WeakPolarHBondContact O-CG1 3.18Å; M75-I79 PolarHBondContact O-N 3.01Å; M76-I79 PolarHBondContact O-N 3.37Å
80H63.1Low73.6Confident153 Ų15368.1 Ų68.171%0.70836%0.355SS*.Hα-helixtrans-71.6-36.8-178.5-169.2-83.4000113.3M76 L77 H78M76-H80 WeakPolarHBondContact O-CB 3.07Å; M76-H80 PolarHBondContact O-N 3.03Å; L77-H80 PolarHBondContact O-N 3.46Å; H78-H80 VanDerWaalsContact C-N 3.31Å; H78-H80 PolarHBondContact O-N 3.05Å
81F55.3Low73.8Confident164 Ų16462.3 Ų62.372%0.71933%0.325SS*.Hα-helixtrans-86.5-25.7-176.1-91.2-93.9000114.4L77 H78L77-F81 HydrophobicContact CD2-CD2 4.42Å; L77-F81 HydrophobicContact CD2-CE2 4.16Å; L77-F81 VanDerWaalsContact O-CB 3.31Å; L77-F81 WeakPolarHBondContact O-CB 3.24Å; L77-F81 WeakPolarHBondContact O-CD2 3.38Å; L77-F81 PolarHBondContact O-N 2.84Å; H78-F81 PolarHBondContact O-N 2.87Å
82V55.3Low74.1Confident61 Ų6162.5 Ų62.537%0.3733%0.325SS..Hα-helixtrans-85.6-20.5-164160.50000114.9M35 H78M35-V82 HydrophobicContact CB-CG1 4.46Å; M35-V82 HydrophobicContact CE-CG1 4.38Å; M35-V82 HydrophobicContact CG-CG1 3.51Å; M35-V82 HydrophobicContact SD-CB 4.35Å; M35-V82 HydrophobicContact SD-CG1 3.29Å; M35-V82 WeakPolarHBondContact SD-CG1 3.2Å; M35-V82 HydrophobicContact SD-CG2 4.2Å; H78-V82 WeakPolarHBondContact O-CB 3.47Å; H78-V82 WeakPolarHBondContact O-CG2 3.47Å; H78-V82 PolarHBondContact O-N 2.84Å
83K55.4Low74.2Confident57 Ų5757.9 Ų57.925%0.24830%0.3CS..  trans-141.988.2-144.8-145.5173.3-173.9-168.70116.1D85 A104K83-D85 VanDerWaalsContact CE-CG 3.47Å; K83-D85 WeakPolarHBondContact CE-OD1 3.19Å; K83-D85 WeakPolarHBondContact CE-OD2 3.43Å; K83-D85 HydrophobicContact CG-CB 4.43Å; K83-D85 IonicContact NZ-OD2 3.36Å; K83-A104 HydrophobicContact CB-CB 3.44Å; K83-A104 VanDerWaalsContact CB-CB 3.44Å; K83-A104 HydrophobicContact CD-CB 3.64Å; K83-A104 HydrophobicContact CG-CB 3.63Å; K83-A104 WeakPolarHBondContact O-CB 3.3Å; K83-A104 PolarHBondContact O-N 3.06Å
84V52.7Low74.3Confident43 Ų4358.3 Ų58.326%0.26131%0.307SS..EExtended strand (participates in β ladder)trans-82.9120.1146.6-172.50000107Y103 S158V84-Y103 HydrophobicContact CB-CD1 4.49Å; V84-Y103 HydrophobicContact CG1-CD1 4.38Å; V84-Y103 HydrophobicContact CG1-CE1 4.35Å; V84-Y103 HydrophobicContact CG2-CD1 3.79Å; V84-Y103 HydrophobicContact CG2-CE1 3.79Å; V84-S158 WeakPolarHBondContact CB-OG 3.09Å; V84-S158 WeakPolarHBondContact CG1-OG 3.3Å; V84-S158 WeakPolarHBondContact CG2-OG 3.49Å
85D66Low74.8Confident21 Ų2161.7 Ų61.711%0.11232%0.316CS..EExtended strand (participates in β ladder)trans-104.6-41.1-164.7-123.3-12.7000111K83 S102K83-D85 VanDerWaalsContact CE-CG 3.47Å; K83-D85 WeakPolarHBondContact CE-OD1 3.19Å; K83-D85 WeakPolarHBondContact CE-OD2 3.43Å; K83-D85 HydrophobicContact CG-CB 4.43Å; K83-D85 IonicContact NZ-OD2 3.36Å; D85-S102 PolarHBondContact N-O 3.48Å
86H73.8Confident75.5Confident50 Ų5057.9 Ų57.923%0.23130%0.298CS..EExtended strand (participates in β ladder)trans-145.4131.4-174.3-58.5-69.4000112.2S31 K34 S102S31-H86 WeakPolarHBondContact CB-ND1 3.28Å; S31-H86 PolarHBondContact OG-CE1 2.87Å; S31-H86 PolarHBondContact OG-ND1 3.27Å; K34-H86 VanDerWaalsContact CE-NE2 3.33Å; K34-H86 WeakPolarHBondContact CE-NE2 3.32Å; H86-S102 PolarHBondContact N-O 3.44Å; H86-S102 PolarHBondContact O-N 2.95Å
87E85.1Confident76.4Confident6 Ų651.9 Ų51.93%0.02827%0.268CS..EExtended strand (participates in β ladder)trans-119.1125.3166.5-71179.5136.200108.6V30 S100 F156 Q157 S158 S159V30-E87 PolarHBondContact N-O 2.89Å; V30-E87 PolarHBondContact O-N 3.08Å; E87-S100 CarbonylContact C-O 3.5Å; E87-S100 WeakPolarHBondContact CA-O 3.41Å; E87-F156 HydrophobicContact CB-CD1 3.89Å; E87-F156 HydrophobicContact CB-CE1 4.41Å; E87-F156 VanDerWaalsContact OE2-C 3.25Å; E87-F156 WeakPolarHBondContact OE2-CA 3.29Å; E87-Q157 PolarHBondContact OE1-N 3.44Å; E87-S158 VanDerWaalsContact OE1-CB 3.24Å; E87-S158 WeakPolarHBondContact OE1-CB 3.13Å; E87-S158 PolarHBondContact OE1-N 3.48Å; E87-S158 PolarHBondContact OE2-N 3.26Å; E87-S159 WeakPolarHBondContact OE2-CB 3.45Å; E87-S159 PolarHBondContact OE2-N 3.09Å; E87-S159 PolarHBondContact OE2-OG 3.35Å
88S87.7Confident77.4Confident18 Ų1850.5 Ų50.513%0.12626%0.259CS..EExtended strand (participates in β ladder)trans-119.8136.3-179.3-61.40000110.7F28 T29 S100F28-S88 CarbonylContact O-C 3.5Å; F28-S88 VanDerWaalsContact O-CA 3.3Å; F28-S88 WeakPolarHBondContact O-CA 3.47Å; T29-S88 WeakPolarHBondContact CG2-OG 3.47Å; T29-S88 PolarHBondContact OG1-OG 2.82Å; S88-S100 PolarHBondContact N-O 3.04Å; S88-S100 PolarHBondContact O-N 3.2Å
89L90.5Very high78.4Confident0 Ų048.2 Ų48.20%025%0.249CC..EExtended strand (participates in β ladder)trans-118.6107.9176.3-179.372.7000108.4E27 F28 V91 I97 L99 L155 F156 V169E27-L89 CarbonylContact C-O 3.6Å; E27-L89 WeakPolarHBondContact CA-O 3.23Å; F28-L89 HydrophobicContact CB-CB 4.35Å; F28-L89 HydrophobicContact CD2-CD2 4.28Å; F28-L89 PolarHBondContact N-O 2.95Å; F28-L89 PolarHBondContact O-N 3.27Å; L89-V91 HydrophobicContact CD2-CG2 4.28Å; L89-V91 HydrophobicContact CG-CG2 4.15Å; L89-I97 HydrophobicContact CD1-CG2 3.34Å; L89-I97 HydrophobicContact CG-CG2 4.26Å; L89-L99 HydrophobicContact CD1-CD1 4.37Å; L89-L155 HydrophobicContact CD1-CD1 3.9Å; L89-L155 HydrophobicContact CD1-CD2 3.93Å; L89-L155 HydrophobicContact CD1-CG 4.48Å; L89-L155 HydrophobicContact CD2-CD1 3.86Å; L89-F156 HydrophobicContact CB-CE1 4.19Å; L89-F156 HydrophobicContact CB-CE2 4.4Å; L89-F156 HydrophobicContact CB-CZ 3.62Å; L89-F156 HydrophobicContact CD2-CE2 4.08Å; L89-F156 HydrophobicContact CD2-CZ 4.06Å; L89-F156 HydrophobicContact CG-CZ 4.46Å; L89-V169 HydrophobicContact CD2-CG1 3.95Å
90L91.3Very high79.4Confident32 Ų3244.8 Ų44.817%0.16823%0.232CC..EExtended strand (participates in β ladder)trans-98.5117.5175.4175.172.7000109E27 I92 I97 Q98E27-L90 HydrophobicContact CB-CD1 3.88Å; E27-L90 HydrophobicContact CG-CB 4.37Å; E27-L90 HydrophobicContact CG-CD1 4.36Å; L90-I92 HydrophobicContact CD2-CD1 3.97Å; L90-I92 HydrophobicContact CD2-CG1 4.29Å; L90-I92 HydrophobicContact CG-CD1 4.26Å; L90-I92 HydrophobicContact CG-CG1 4.05Å; L90-I97 WeakPolarHBondContact O-CA 3.42Å; L90-Q98 HydrophobicContact CB-CB 4.15Å; L90-Q98 HydrophobicContact CD2-CB 4.43Å; L90-Q98 PolarHBondContact N-O 2.87Å; L90-Q98 PolarHBondContact O-N 3.32Å
91V89.4Confident80.5Confident0 Ų038.1 Ų38.10%020%0.203CC..EExtended strand (participates in β ladder)trans-104.8121.2178.1-177.70000108.7C25 R26 F28 L89 I97 I176C25-V91 WeakPolarHBondContact CA-O 3.3Å; R26-V91 PolarHBondContact N-O 3.37Å; R26-V91 PolarHBondContact O-N 2.91Å; F28-V91 HydrophobicContact CD2-CG2 4.45Å; F28-V91 HydrophobicContact CE2-CG2 4.11Å; L89-V91 HydrophobicContact CD2-CG2 4.28Å; L89-V91 HydrophobicContact CG-CG2 4.15Å; V91-I97 HydrophobicContact CG1-CG1 4.44Å; V91-I97 HydrophobicContact CG2-CG1 4.49Å; V91-I176 HydrophobicContact CB-CD1 4.45Å; V91-I176 HydrophobicContact CG1-CB 4.41Å; V91-I176 HydrophobicContact CG1-CD1 4.41Å; V91-I176 HydrophobicContact CG1-CG2 4.07Å
92I89.9Confident81.7Confident30 Ų3032.1 Ų32.115%0.15418%0.182CC..EExtended strand (participates in β ladder)trans-120.8101.2178.1-51.6163000107.3L90 S94 L95 G96L90-I92 HydrophobicContact CD2-CD1 3.97Å; L90-I92 HydrophobicContact CD2-CG1 4.29Å; L90-I92 HydrophobicContact CG-CD1 4.26Å; L90-I92 HydrophobicContact CG-CG1 4.05Å; I92-S94 PolarHBondContact O-N 2.89Å; I92-L95 HydrophobicContact CB-CB 4.11Å; I92-L95 HydrophobicContact CG2-CB 3.8Å; I92-L95 HydrophobicContact CG2-CD1 3.91Å; I92-L95 HydrophobicContact CG2-CG 4.27Å; I92-L95 PolarHBondContact O-N 2.82Å; I92-G96 CarbonylContact C-O 3.57Å; I92-G96 WeakPolarHBondContact CA-O 3.48Å; I92-G96 PolarHBondContact N-O 3.49Å; I92-G96 PolarHBondContact O-N 3.26Å
93G84.1Confident82.6Confident1 Ų133.2 Ų33.21%0.0118%0.18CC..THydrogen-bonded Turntrans-55.7-31-168.700000115.1F24F24-G93 PolarHBondContact O-N 3.04Å
94S84.3Confident83Confident93 Ų9332.3 Ų32.365%0.6518%0.183SC*.THydrogen-bonded Turntrans-87.6-18.5179.255.30000115I92I92-S94 PolarHBondContact O-N 2.89Å
95L89.1Confident83.5Confident106 Ų10634.3 Ų34.356%0.55520%0.198SC*.THydrogen-bonded Turntrans-116.1-46.1-170.2-82162000112.2I92 F112 M115I92-L95 HydrophobicContact CB-CB 4.11Å; I92-L95 HydrophobicContact CG2-CB 3.8Å; I92-L95 HydrophobicContact CG2-CD1 3.91Å; I92-L95 HydrophobicContact CG2-CG 4.27Å; I92-L95 PolarHBondContact O-N 2.82Å; L95-F112 HydrophobicContact CB-CZ 4.22Å; L95-M115 WeakPolarHBondContact O-CB 3.46Å; L95-M115 PolarHBondContact O-N 3.05Å
96G90.1Very high83.5Confident1 Ų136.4 Ų36.41%0.0123%0.225CC..EExtended strand (participates in β ladder)trans147.9-158.7-175.800000113.2I92 I113I92-G96 CarbonylContact C-O 3.57Å; I92-G96 WeakPolarHBondContact CA-O 3.48Å; I92-G96 PolarHBondContact N-O 3.49Å; I92-G96 PolarHBondContact O-N 3.26Å; G96-I113 CarbonylContact C-O 3.56Å; G96-I113 VanDerWaalsContact CA-O 3.23Å; G96-I113 WeakPolarHBondContact CA-O 3.48Å
97I92.3Very high83.4Confident2 Ų242.2 Ų42.21%0.0125%0.245CC..EExtended strand (participates in β ladder)trans-121.3129.5-175.9-59.6174.3000108.7L89 L90 V91 I113 I118 I121 V138L89-I97 HydrophobicContact CD1-CG2 3.34Å; L89-I97 HydrophobicContact CG-CG2 4.26Å; L90-I97 WeakPolarHBondContact O-CA 3.42Å; V91-I97 HydrophobicContact CG1-CG1 4.44Å; V91-I97 HydrophobicContact CG2-CG1 4.49Å; I97-I113 PolarHBondContact N-O 3.38Å; I97-I113 PolarHBondContact O-N 2.88Å; I97-I118 HydrophobicContact CB-CD1 4.17Å; I97-I118 HydrophobicContact CD1-CD1 3.59Å; I97-I118 HydrophobicContact CG1-CD1 3.64Å; I97-I121 HydrophobicContact CD1-CD1 3.5Å; I97-I121 HydrophobicContact CD1-CG1 4.03Å; I97-V138 HydrophobicContact CD1-CG2 4.12Å
98Q92.6Very high83.3Confident67 Ų6747.8 Ų47.831%0.31327%0.271SS..EExtended strand (participates in β ladder)trans-109.5124.3173-172.5176.7-44.100109.6L90 T111 F112L90-Q98 HydrophobicContact CB-CB 4.15Å; L90-Q98 HydrophobicContact CD2-CB 4.43Å; L90-Q98 PolarHBondContact N-O 2.87Å; L90-Q98 PolarHBondContact O-N 3.32Å; Q98-T111 WeakPolarHBondContact CA-O 3.47Å; Q98-F112 HydrophobicContact CB-CD2 3.94Å; Q98-F112 HydrophobicContact CG-CD2 4.5Å
99L90.3Very high83.1Confident23 Ų2349.5 Ų49.512%0.1228%0.281CS..EExtended strand (participates in β ladder)trans-101.3123.8169.8-179.167.1000108.2L89 T110 T111 L155L89-L99 HydrophobicContact CD1-CD1 4.37Å; L99-T110 CarbonylContact O-C 3.54Å; L99-T110 VanDerWaalsContact O-CA 3.3Å; L99-T110 WeakPolarHBondContact O-CA 3.42Å; L99-T111 PolarHBondContact N-O 3.47Å; L99-T111 PolarHBondContact O-N 2.95Å; L99-L155 HydrophobicContact CD1-CD2 4.27Å; L99-L155 HydrophobicContact CD2-CD2 4.24Å
100S88.5Confident83Confident12 Ų1253.2 Ų53.28%0.08430%0.304CS..EExtended strand (participates in β ladder)trans-114136.1168.8-172.90000110.2E87 S88 E108 V109 T110E87-S100 CarbonylContact C-O 3.5Å; E87-S100 WeakPolarHBondContact CA-O 3.41Å; S88-S100 PolarHBondContact N-O 3.04Å; S88-S100 PolarHBondContact O-N 3.2Å; S100-E108 WeakPolarHBondContact OG-CG 3.37Å; S100-E108 PolarHBondContact OG-OE1 2.84Å; S100-V109 CarbonylContact C-O 3.53Å; S100-V109 WeakPolarHBondContact CA-O 3.33Å; S100-T110 WeakPolarHBondContact OG-CG2 3.44Å
101S86.6Confident83Confident14 Ų1455 Ų5510%0.09832%0.316CS..EExtended strand (participates in β ladder)trans-126.3114.3173.9-61.80000108.9E108 V109S101-E108 WeakPolarHBondContact O-CA 3.38Å; S101-V109 PolarHBondContact N-O 3.31Å; S101-V109 PolarHBondContact O-N 3.28Å
102S80.6Confident83.1Confident38 Ų3859.4 Ų59.427%0.26634%0.335SS..EExtended strand (participates in β ladder)trans-104.3123179.1-169.10000110.6D85 H86D85-S102 PolarHBondContact N-O 3.48Å; H86-S102 PolarHBondContact N-O 3.44Å; H86-S102 PolarHBondContact O-N 2.95Å
103Y73.3Confident83.2Confident84 Ų8458.5 Ų58.533%0.32933%0.33SS..EExtended strand (participates in β ladder)trans-99.5147.5179.9-60.8-95.4000109.3V84 S105 G106 R107 V109V84-Y103 HydrophobicContact CB-CD1 4.49Å; V84-Y103 HydrophobicContact CG1-CD1 4.38Å; V84-Y103 HydrophobicContact CG1-CE1 4.35Å; V84-Y103 HydrophobicContact CG2-CD1 3.79Å; V84-Y103 HydrophobicContact CG2-CE1 3.79Å; Y103-S105 PolarHBondContact O-N 3.16Å; Y103-G106 PolarHBondContact O-N 3.5Å; Y103-R107 HydrophobicContact CD2-CB 4.3Å; Y103-R107 HydrophobicContact CD2-CG 4.45Å; Y103-R107 WeakPolarHBondContact CD2-O 3.31Å; Y103-R107 PolarHBondContact N-O 2.88Å; Y103-V109 HydrophobicContact CE2-CB 4.49Å; Y103-V109 HydrophobicContact CE2-CG2 4.07Å
104A65.3Low83.5Confident38 Ų3863.4 Ų63.431%0.31435%0.353SS..THydrogen-bonded Turntrans-66.4-11.7179.900000114.2K83 G106K83-A104 HydrophobicContact CB-CB 3.44Å; K83-A104 VanDerWaalsContact CB-CB 3.44Å; K83-A104 HydrophobicContact CD-CB 3.64Å; K83-A104 HydrophobicContact CG-CB 3.63Å; K83-A104 WeakPolarHBondContact O-CB 3.3Å; K83-A104 PolarHBondContact O-N 3.06Å; A104-G106 PolarHBondContact O-N 3.26Å
105S62Low83.7Confident84 Ų8461.9 Ų61.959%0.58734%0.336SS*.THydrogen-bonded Turntrans-68.7-5.316858.60000113.2Y103 R107Y103-S105 PolarHBondContact O-N 3.16Å; S105-R107 VanDerWaalsContact C-N 3.25Å
106G65.7Low83.6Confident65 Ų6560.2 Ų60.267%0.6733%0.334SS*.SBendtrans82.80.4-173.200000113.2Y103 A104 E108Y103-G106 PolarHBondContact O-N 3.5Å; A104-G106 PolarHBondContact O-N 3.26Å; G106-E108 PolarHBondContact O-N 2.98Å
107R73.2Confident83.5Confident172 Ų17266 Ų6665%0.64936%0.355SS*.  trans-71.5129.2171.8-173.6175.4179.2172.8-0.7108.8Y103 S105 V109Y103-R107 HydrophobicContact CD2-CB 4.3Å; Y103-R107 HydrophobicContact CD2-CG 4.45Å; Y103-R107 WeakPolarHBondContact CD2-O 3.31Å; Y103-R107 PolarHBondContact N-O 2.88Å; S105-R107 VanDerWaalsContact C-N 3.25Å; R107-V109 HydrophobicContact CG-CG2 4.28Å
108E81.7Confident83.3Confident123 Ų12366.6 Ų66.658%0.57536%0.358SS*.EExtended strand (participates in β ladder)trans-116.4132.3169.2-168.517717400108.6S100 S101 G106 T110S100-E108 WeakPolarHBondContact OG-CG 3.37Å; S100-E108 PolarHBondContact OG-OE1 2.84Å; S101-E108 WeakPolarHBondContact O-CA 3.38Å; G106-E108 PolarHBondContact O-N 2.98Å; E108-T110 HydrophobicContact CG-CG2 4.2Å
109V84.4Confident83.1Confident54 Ų5467.7 Ų67.733%0.32736%0.362SS..EExtended strand (participates in β ladder)trans-119.5114.5174.6179.70000107.5S100 S101 Y103 R107S100-V109 CarbonylContact C-O 3.53Å; S100-V109 WeakPolarHBondContact CA-O 3.33Å; S101-V109 PolarHBondContact N-O 3.31Å; S101-V109 PolarHBondContact O-N 3.28Å; Y103-V109 HydrophobicContact CE2-CB 4.49Å; Y103-V109 HydrophobicContact CE2-CG2 4.07Å; R107-V109 HydrophobicContact CG-CG2 4.28Å
110T89.2Confident83Confident79 Ų7969.7 Ų69.749%0.48537%0.373SS..EExtended strand (participates in β ladder)trans-107.6136.6175.356.50000109.7L99 S100 E108L99-T110 CarbonylContact O-C 3.54Å; L99-T110 VanDerWaalsContact O-CA 3.3Å; L99-T110 WeakPolarHBondContact O-CA 3.42Å; S100-T110 WeakPolarHBondContact OG-CG2 3.44Å; E108-T110 HydrophobicContact CG-CG2 4.2Å
111T89.9Confident83.1Confident69 Ų6969.1 Ų69.142%0.42337%0.369SS..EExtended strand (participates in β ladder)trans-132122.1175.6-60.30000108.1Q98 L99Q98-T111 WeakPolarHBondContact CA-O 3.47Å; L99-T111 PolarHBondContact N-O 3.47Å; L99-T111 PolarHBondContact O-N 2.95Å
112F92.9Very high83.5Confident92 Ų9270.4 Ų70.440%0.40438%0.376SS..EExtended strand (participates in β ladder)trans-105.6133.1178.3-177.4-106.1000110.4L95 Q98 E114L95-F112 HydrophobicContact CB-CZ 4.22Å; Q98-F112 HydrophobicContact CB-CD2 3.94Å; Q98-F112 HydrophobicContact CG-CD2 4.5Å; F112-E114 HydrophobicContact CD1-CG 4.33Å; F112-E114 HydrophobicContact CE1-CG 3.85Å
113I90.9Very high84.1Confident11 Ų1171 Ų716%0.05638%0.376CS..EExtended strand (participates in β ladder)trans-120.6115.6178.5-55.7175.7000107.6G96 I97 I118 L140 V153G96-I113 CarbonylContact C-O 3.56Å; G96-I113 VanDerWaalsContact CA-O 3.23Å; G96-I113 WeakPolarHBondContact CA-O 3.48Å; I97-I113 PolarHBondContact N-O 3.38Å; I97-I113 PolarHBondContact O-N 2.88Å; I113-I118 HydrophobicContact CG2-CD1 4.07Å; I113-I118 HydrophobicContact CG2-CG1 3.65Å; I113-L140 HydrophobicContact CD1-CD2 4.48Å; I113-L140 HydrophobicContact CG2-CD2 3.42Å; I113-L140 VanDerWaalsContact CG2-CD2 3.42Å; I113-V153 HydrophobicContact CD1-CB 4.13Å; I113-V153 HydrophobicContact CD1-CG1 4.08Å; I113-V153 HydrophobicContact CD1-CG2 4.11Å
114E90.3Very high85Confident105 Ų10570.2 Ų70.249%0.49138%0.377SS..EExtended strand (participates in β ladder)trans-64.2142.3178.1-65.2174.9179.200112.4F112 S116 R117 I118F112-E114 HydrophobicContact CD1-CG 4.33Å; F112-E114 HydrophobicContact CE1-CG 3.85Å; E114-S116 PolarHBondContact O-N 3.31Å; E114-S116 PolarHBondContact OE2-OG 2.92Å; E114-R117 PolarHBondContact O-N 3.3Å; E114-I118 WeakPolarHBondContact O-CG1 2.87Å; E114-I118 PolarHBondContact O-N 3.24Å
115M88.5Confident86.3Confident60 Ų6072.8 Ų72.830%0.29638%0.382SS..G310 helixtrans-57.7-32.1177.2-168.761.2179.300112.5L95 R117 I118 L177L95-M115 WeakPolarHBondContact O-CB 3.46Å; L95-M115 PolarHBondContact O-N 3.05Å; M115-R117 PolarHBondContact O-N 3.01Å; M115-I118 PolarHBondContact O-N 3.29Å; M115-I118 HydrophobicContact SD-CD1 4.32Å; M115-L177 HydrophobicContact CE-CD2 3.5Å; M115-L177 HydrophobicContact SD-CD2 3.76Å
116S86.6Confident87.6Confident71 Ų7170.1 Ų70.150%0.49737%0.366SS..G310 helixtrans-59.5-28.7175.264.10000113E114 K141E114-S116 PolarHBondContact O-N 3.31Å; E114-S116 PolarHBondContact OE2-OG 2.92Å; S116-K141 WeakPolarHBondContact O-CE 3.33Å; S116-K141 PolarHBondContact O-NZ 3.45Å
117R88Confident88.9Confident124 Ų12472.5 Ų72.547%0.46837%0.367SS..G310 helixtrans-96.8-13.8-177.9-63.3-178.463.2-159.4-2.1113E114 M115 L140 K141E114-R117 PolarHBondContact O-N 3.3Å; M115-R117 PolarHBondContact O-N 3.01Å; R117-L140 CarbonylContact O-C 3.59Å; R117-L140 VanDerWaalsContact O-CA 3.3Å; R117-L140 WeakPolarHBondContact O-CA 3.17Å; R117-K141 PolarHBondContact O-N 3.42Å
118I89.2Confident89.4Confident13 Ų1371.3 Ų71.37%0.06736%0.363CS..EExtended strand (participates in β ladder)trans-77.3128.5179.3-62.5170.9000108.4I97 I113 E114 M115 V138I97-I118 HydrophobicContact CB-CD1 4.17Å; I97-I118 HydrophobicContact CD1-CD1 3.59Å; I97-I118 HydrophobicContact CG1-CD1 3.64Å; I113-I118 HydrophobicContact CG2-CD1 4.07Å; I113-I118 HydrophobicContact CG2-CG1 3.65Å; E114-I118 WeakPolarHBondContact O-CG1 2.87Å; E114-I118 PolarHBondContact O-N 3.24Å; M115-I118 PolarHBondContact O-N 3.29Å; M115-I118 HydrophobicContact SD-CD1 4.32Å; I118-V138 HydrophobicContact CB-CG1 4.45Å; I118-V138 HydrophobicContact CD1-CG1 4.41Å; I118-V138 HydrophobicContact CG1-CG1 3.92Å; I118-V138 HydrophobicContact CG2-CG1 3.95Å
119K87.6Confident89.7Confident90 Ų9072.4 Ų72.439%0.39137%0.372SS..EExtended strand (participates in β ladder)trans-90.5-54.7169.4-171.1178.2-179174.80109.9L139 K141 N147 V149K119-L139 HydrophobicContact CB-CB 4.22Å; K119-L139 WeakPolarHBondContact CB-O 3.35Å; K119-L139 PolarHBondContact N-O 2.95Å; K119-K141 HydrophobicContact CB-CB 4.15Å; K119-N147 PolarHBondContact NZ-O 3.3Å; K119-V149 HydrophobicContact CD-CG2 3.88Å
120D88.5Confident89.9Confident65 Ų6576.8 Ų76.835%0.34839%0.394SS..EExtended strand (participates in β ladder)trans-164.1165.7180-154.8-4.4000110.7L139D120-L139 HydrophobicContact CB-CD1 4.45Å; D120-L139 WeakPolarHBondContact O-CB 3.1Å; D120-L139 PolarHBondContact O-N 3.44Å
121I91.5Very high89.8Confident1 Ų178.3 Ų78.31%0.00540%0.396CS..EExtended strand (participates in β ladder)trans-107.3131167.6-53.7179.2000107.5I97 L136 C137 V138 Y170 C173 L177I97-I121 HydrophobicContact CD1-CD1 3.5Å; I97-I121 HydrophobicContact CD1-CG1 4.03Å; I121-L136 HydrophobicContact CG2-CD1 3.74Å; I121-L136 HydrophobicContact CG2-CD2 4.41Å; I121-L136 HydrophobicContact CG2-CG 3.98Å; I121-C137 WeakPolarHBondContact CA-O 3.12Å; I121-V138 HydrophobicContact CG1-CG2 4.43Å; I121-Y170 HydrophobicContact CG2-CD2 4.3Å; I121-Y170 VanDerWaalsContact O-CE2 3.22Å; I121-Y170 WeakPolarHBondContact O-CE2 3.41Å; I121-C173 HydrophobicContact CD1-CB 3.86Å; I121-L177 HydrophobicContact CD1-CD1 3.62Å; I121-L177 HydrophobicContact CG1-CD1 4.02Å
122V93.2Very high89.8Confident40 Ų4079.8 Ų79.824%0.24240%0.4CS..EExtended strand (participates in β ladder)trans-132.3150178.8-58.20000111.1C137 L139V122-C137 VanDerWaalsContact CG2-SG 3.51Å; V122-C137 PolarHBondContact N-O 2.82Å; V122-C137 PolarHBondContact O-N 3.43Å; V122-L139 HydrophobicContact CG1-CD1 3.78Å; V122-L139 HydrophobicContact CG1-CG 4.36Å; V122-L139 HydrophobicContact CG2-CD1 3.99Å; V122-L139 HydrophobicContact CG2-CD2 3.99Å; V122-L139 HydrophobicContact CG2-CG 3.92Å
123I94.5Very high89.6Confident52 Ų5277.1 Ų77.127%0.26739%0.39SS..EExtended strand (participates in β ladder)trans-87.5111.9163.7-61.8172.6000106.1Y134 L136 L163 L166 Y170I123-Y134 HydrophobicContact CG2-CD1 4.35Å; I123-L136 HydrophobicContact CG1-CD1 3.55Å; I123-L163 HydrophobicContact CD1-CD1 4.25Å; I123-L163 HydrophobicContact CG2-CD1 3.92Å; I123-L166 HydrophobicContact CD1-CB 4.24Å; I123-L166 HydrophobicContact CG2-CD2 4.45Å; I123-Y170 HydrophobicContact CD1-CD1 4.31Å; I123-Y170 HydrophobicContact CD1-CG 4.09Å; I123-Y170 HydrophobicContact CG1-CG 4.26Å
124N92.6Very high89.7Confident66 Ų6680.6 Ų80.635%0.35340%0.403SS..EExtended strand (participates in β ladder)trans-94.8143175.6-163.833.6000110.9Y134 Y135N124-Y134 WeakPolarHBondContact O-CA 2.85Å; N124-Y135 HydrophobicContact CB-CD1 4.45Å; N124-Y135 HydrophobicContact CB-CE1 3.88Å; N124-Y135 HydrophobicContact CB-CE2 4.14Å; N124-Y135 PolarHBondContact N-O 3.49Å; N124-Y135 PolarHBondContact ND2-OH 2.81Å; N124-Y135 PolarHBondContact O-N 2.92Å
125E92.4Very high89.8Confident92 Ų9278.8 Ų78.843%0.4339%0.392SS..EExtended strand (participates in β ladder)trans-95.2135.5169.5-172.4176.9138.500108.7I132 Y134E125-I132 HydrophobicContact CG-CG2 3.36Å; E125-I132 WeakPolarHBondContact OE1-CG2 3.46Å; E125-Y134 HydrophobicContact CB-CD1 4.06Å; E125-Y134 HydrophobicContact CB-CE1 3.83Å; E125-Y134 HydrophobicContact CG-CD1 4.18Å; E125-Y134 HydrophobicContact CG-CE1 3.69Å; E125-Y134 WeakPolarHBondContact OE2-CE1 3.44Å; E125-Y134 PolarHBondContact OE2-OH 3.37Å
126A89.8Confident90Very high29 Ų2976 Ų7624%0.2438%0.378CS..EExtended strand (participates in β ladder)trans-131.3142.8171.100000111I133 Y135A126-I133 HydrophobicContact CB-CG1 4.06Å; A126-I133 PolarHBondContact N-O 3.08Å; A126-I133 WeakPolarHBondContact O-CG1 3.42Å; A126-I133 PolarHBondContact O-N 3.17Å; A126-Y135 HydrophobicContact CB-CD1 4.3Å; A126-Y135 HydrophobicContact CB-CE1 3.7Å
127V91.5Very high90.3Very high115 Ų11572.7 Ų72.770%0.69736%0.355SS*.EExtended strand (participates in β ladder)trans-87.4114.7169.6-176.30000107.9
128Y84.6Confident90.5Very high146 Ų14666.8 Ų66.857%0.57333%0.333SS*.EExtended strand (participates in β ladder)trans-114.5106.9175-172.6-101.2000109.4N130 Q131 I133Y128-N130 PolarHBondContact O-N 3.17Å; Y128-N130 VanDerWaalsContact O-N 3.08Å; Y128-Q131 PolarHBondContact N-O 2.92Å; Y128-Q131 PolarHBondContact O-N 3.12Å; Y128-Q131 VanDerWaalsContact O-O 3.12Å; Y128-I133 HydrophobicContact CG-CD1 4.46Å
129L87.8Confident90.6Very high146 Ų14667.7 Ų67.776%0.76434%0.337SS*.THydrogen-bonded Turntrans54.9-110.4-174.3-61167.4000111.3
130N88.6Confident90.8Very high146 Ų14663.9 Ų63.978%0.78132%0.321SS*.THydrogen-bonded Turntrans-105.516.5179.266.3-10000113Y128Y128-N130 PolarHBondContact O-N 3.17Å; Y128-N130 VanDerWaalsContact O-N 3.08Å
131Q86Confident90.7Very high112 Ų11264 Ų6452%0.52332%0.319SS..EExtended strand (participates in β ladder)trans-129.2143.1-177.8-66.4-178-1.500111.6Y128Y128-Q131 PolarHBondContact N-O 2.92Å; Y128-Q131 PolarHBondContact O-N 3.12Å; Y128-Q131 VanDerWaalsContact O-O 3.12Å
132I90Very high90.1Very high99 Ų9967.5 Ų67.551%0.50834%0.335SS..EExtended strand (participates in β ladder)trans-90.9123.8169.9-63.6172.5000107.7E125 Y134E125-I132 HydrophobicContact CG-CG2 3.36Å; E125-I132 WeakPolarHBondContact OE1-CG2 3.46Å; I132-Y134 HydrophobicContact CG2-CE2 4.08Å
133I90.4Very high89.1Confident36 Ų3671.7 Ų71.719%0.18536%0.363CS..EExtended strand (participates in β ladder)trans-117.3139.9177.762.8169.5000110.2A126 Y128A126-I133 HydrophobicContact CB-CG1 4.06Å; A126-I133 PolarHBondContact N-O 3.08Å; A126-I133 WeakPolarHBondContact O-CG1 3.42Å; A126-I133 PolarHBondContact O-N 3.17Å; Y128-I133 HydrophobicContact CG-CD1 4.46Å
134Y92.1Very high88.1Confident84 Ų8474.2 Ų74.233%0.32939%0.385SS..EExtended strand (participates in β ladder)trans-104.4133.3173.8-62.6-82.6000109I123 N124 E125 I132 L163I123-Y134 HydrophobicContact CG2-CD1 4.35Å; N124-Y134 WeakPolarHBondContact O-CA 2.85Å; E125-Y134 HydrophobicContact CB-CD1 4.06Å; E125-Y134 HydrophobicContact CB-CE1 3.83Å; E125-Y134 HydrophobicContact CG-CD1 4.18Å; E125-Y134 HydrophobicContact CG-CE1 3.69Å; E125-Y134 WeakPolarHBondContact OE2-CE1 3.44Å; E125-Y134 PolarHBondContact OE2-OH 3.37Å; I132-Y134 HydrophobicContact CG2-CE2 4.08Å; Y134-L163 HydrophobicContact CD1-CD1 4.22Å; Y134-L163 HydrophobicContact CD2-CB 4.19Å; Y134-L163 HydrophobicContact CD2-CD2 4.41Å; Y134-L163 HydrophobicContact CE2-CD2 4.43Å; Y134-L163 HydrophobicContact CG-CB 4.33Å; Y134-L163 HydrophobicContact CG-CD1 4.11Å
135Y92.5Very high87.2Confident68 Ų6876.6 Ų76.627%0.26739%0.394SS..EExtended strand (participates in β ladder)trans-137.3147.3174.467.4-81.2000110.5N124 A126 C137 P154N124-Y135 HydrophobicContact CB-CD1 4.45Å; N124-Y135 HydrophobicContact CB-CE1 3.88Å; N124-Y135 HydrophobicContact CB-CE2 4.14Å; N124-Y135 PolarHBondContact N-O 3.49Å; N124-Y135 PolarHBondContact ND2-OH 2.81Å; N124-Y135 PolarHBondContact O-N 2.92Å; A126-Y135 HydrophobicContact CB-CD1 4.3Å; A126-Y135 HydrophobicContact CB-CE1 3.7Å; Y135-C137 HydrophobicContact CD2-CB 4.11Å; Y135-C137 HydrophobicContact CE2-CB 3.88Å; Y135-P154 HydrophobicContact CD2-CB 3.89Å; Y135-P154 HydrophobicContact CE2-CB 4.08Å
136L92.9Very high86.1Confident1 Ų176 Ų761%0.00540%0.398CS..EExtended strand (participates in β ladder)trans-86.2136.3175.8-169.370.4000108I121 I123 L155 F156 L166 V169 Y170I121-L136 HydrophobicContact CG2-CD1 3.74Å; I121-L136 HydrophobicContact CG2-CD2 4.41Å; I121-L136 HydrophobicContact CG2-CG 3.98Å; I123-L136 HydrophobicContact CG1-CD1 3.55Å; L136-L155 HydrophobicContact CB-CB 4.3Å; L136-L155 HydrophobicContact CD2-CD1 3.71Å; L136-L155 HydrophobicContact CG-CD1 3.93Å; L136-L155 PolarHBondContact O-N 2.92Å; L136-F156 HydrophobicContact CD2-CE2 4.26Å; L136-L166 HydrophobicContact CB-CD2 4.11Å; L136-L166 HydrophobicContact CB-CG 4.07Å; L136-L166 VanDerWaalsContact N-CD2 3.33Å; L136-V169 HydrophobicContact CD2-CG1 3.97Å; L136-Y170 HydrophobicContact CD1-CD2 4.14Å; L136-Y170 HydrophobicContact CD1-CG 4.47Å
137C92.9Very high85.2Confident2 Ų281.3 Ų81.31%0.01442%0.423CS..EExtended strand (participates in β ladder)trans-141.9152.4175.960.80000112.3I121 V122 Y135 V152 V153I121-C137 WeakPolarHBondContact CA-O 3.12Å; V122-C137 VanDerWaalsContact CG2-SG 3.51Å; V122-C137 PolarHBondContact N-O 2.82Å; V122-C137 PolarHBondContact O-N 3.43Å; Y135-C137 HydrophobicContact CD2-CB 4.11Å; Y135-C137 HydrophobicContact CE2-CB 3.88Å; C137-V152 HydrophobicContact CB-CG1 3.52Å; C137-V152 VanDerWaalsContact SG-CG1 3.54Å; C137-V153 CarbonylContact C-O 3.57Å; C137-V153 VanDerWaalsContact CA-O 3.23Å; C137-V153 WeakPolarHBondContact CA-O 3.45Å; C137-V153 WeakPolarHBondContact CB-O 3.42Å
138V92.6Very high84.3Confident0 Ų078.9 Ų78.90%041%0.408CS..EExtended strand (participates in β ladder)trans-97.2123.8173.5-174.20000108I97 I118 I121 L140 V153 L155I97-V138 HydrophobicContact CD1-CG2 4.12Å; I118-V138 HydrophobicContact CB-CG1 4.45Å; I118-V138 HydrophobicContact CD1-CG1 4.41Å; I118-V138 HydrophobicContact CG1-CG1 3.92Å; I118-V138 HydrophobicContact CG2-CG1 3.95Å; I121-V138 HydrophobicContact CG1-CG2 4.43Å; V138-L140 HydrophobicContact CG1-CD2 4.18Å; V138-V153 PolarHBondContact N-O 2.98Å; V138-V153 PolarHBondContact O-N 3.33Å; V138-L155 HydrophobicContact CG2-CD1 3.82Å; V138-L155 HydrophobicContact CG2-CD2 3.97Å; V138-L155 HydrophobicContact CG2-CG 4.07Å
139L91.6Very high83.9Confident31 Ų3174.7 Ų74.716%0.16240%0.397CS..EExtended strand (participates in β ladder)trans-84.7123.8172.5-56.5-178.9000108.6K119 D120 V122 V149 V152K119-L139 HydrophobicContact CB-CB 4.22Å; K119-L139 WeakPolarHBondContact CB-O 3.35Å; K119-L139 PolarHBondContact N-O 2.95Å; D120-L139 HydrophobicContact CB-CD1 4.45Å; D120-L139 WeakPolarHBondContact O-CB 3.1Å; D120-L139 PolarHBondContact O-N 3.44Å; V122-L139 HydrophobicContact CG1-CD1 3.78Å; V122-L139 HydrophobicContact CG1-CG 4.36Å; V122-L139 HydrophobicContact CG2-CD1 3.99Å; V122-L139 HydrophobicContact CG2-CD2 3.99Å; V122-L139 HydrophobicContact CG2-CG 3.92Å; L139-V149 HydrophobicContact CB-CG1 4.24Å; L139-V149 HydrophobicContact CD2-CG1 4.12Å; L139-V152 HydrophobicContact CD2-CG1 4.26Å; L139-V152 HydrophobicContact CD2-CG2 3.81Å
140L90Very high83.3Confident10 Ų1070.5 Ų70.55%0.05238%0.38CS..EExtended strand (participates in β ladder)trans-97.8136.1176.9-58.3178.8000110.2I113 R117 V138 S150 S151 V153I113-L140 HydrophobicContact CD1-CD2 4.48Å; I113-L140 HydrophobicContact CG2-CD2 3.42Å; I113-L140 VanDerWaalsContact CG2-CD2 3.42Å; R117-L140 CarbonylContact O-C 3.59Å; R117-L140 VanDerWaalsContact O-CA 3.3Å; R117-L140 WeakPolarHBondContact O-CA 3.17Å; V138-L140 HydrophobicContact CG1-CD2 4.18Å; L140-S150 PolarHBondContact O-N 3.47Å; L140-S151 WeakPolarHBondContact CB-O 3.44Å; L140-S151 PolarHBondContact N-O 3.14Å; L140-V153 HydrophobicContact CD1-CG2 3.62Å; L140-V153 HydrophobicContact CG-CG2 4.21Å
141K86.8Confident83.1Confident69 Ų6966.3 Ų66.330%0.336%0.362SS..EExtended strand (participates in β ladder)trans-90.3148.9171.271.4-162.4-164.1-136.80111.1S116 R117 K119S116-K141 WeakPolarHBondContact O-CE 3.33Å; S116-K141 PolarHBondContact O-NZ 3.45Å; R117-K141 PolarHBondContact O-N 3.42Å; K119-K141 HydrophobicContact CB-CB 4.15Å
142E79.7Confident83.2Confident74 Ų7464 Ų6435%0.34636%0.356SS..PPolyproline II helixtrans-79.1144.8173.7-147.6134.7-130.200110.5S144 E145 S150E142-S144 PolarHBondContact O-N 3.32Å; E142-E145 CarbonylContact O-C 3.5Å; E142-S150 PolarHBondContact OE1-OG 2.96Å
143P72.8Confident83.2Confident127 Ų12761 Ų6183%0.82534%0.342SS*.SBendtrans-64-30.5174.4-1325.9000112
144S72.3Confident83.2Confident105 Ų10560.9 Ų60.973%0.73434%0.344SS*.SBendtrans-82.8-32.9-176.5-55.10000113.1E142E142-S144 PolarHBondContact O-N 3.32Å
145E74.1Confident83.1Confident117 Ų11757.1 Ų57.155%0.54733%0.329SS..  trans-138.791.9-178.1-72.2-176.5-144.600110.9E142 N147 V148E142-E145 CarbonylContact O-C 3.5Å; E145-N147 PolarHBondContact O-N 3Å; E145-N147 VanDerWaalsContact O-N 3.09Å; E145-V148 HydrophobicContact CB-CB 4.2Å; E145-V148 HydrophobicContact CB-CG2 4.04Å; E145-V148 PolarHBondContact O-N 3.32Å; E145-V148 VanDerWaalsContact O-N 3.07Å; E145-V148 WeakPolarHBondContact OE2-CG2 3.35Å
146P70.2Confident82.9Confident78 Ų7854 Ų5451%0.50632%0.317SS..THydrogen-bonded Turntrans-66-17.6-173.123.4-32.4000114
147N70.9Confident82.5Confident142 Ų14260.1 Ų60.176%0.75935%0.346SS*.THydrogen-bonded Turntrans-83.3-19177.8-70.4-31.5000113K119 E145K119-N147 PolarHBondContact NZ-O 3.3Å; E145-N147 PolarHBondContact O-N 3Å; E145-N147 VanDerWaalsContact O-N 3.09Å
148V71.6Confident82Confident64 Ų6462.7 Ų62.739%0.38836%0.363SS..SBendtrans-93.7137.1-178.3-1780000110.1E145 S150E145-V148 HydrophobicContact CB-CB 4.2Å; E145-V148 HydrophobicContact CB-CG2 4.04Å; E145-V148 PolarHBondContact O-N 3.32Å; E145-V148 VanDerWaalsContact O-N 3.07Å; E145-V148 WeakPolarHBondContact OE2-CG2 3.35Å; V148-S150 PolarHBondContact O-N 3.48Å
149V75.8Confident81.4Confident57 Ų5762.8 Ų62.835%0.34536%0.364SS..EExtended strand (participates in β ladder)trans-81.4112.3172.1179.70000107.4K119 L139 V152K119-V149 HydrophobicContact CD-CG2 3.88Å; L139-V149 HydrophobicContact CB-CG1 4.24Å; L139-V149 HydrophobicContact CD2-CG1 4.12Å; V149-V152 HydrophobicContact CG1-CG2 4.22Å
150S76.6Confident81.2Confident58 Ų5866.4 Ų66.441%0.40638%0.379SS..EExtended strand (participates in β ladder)trans-82.8-39.1-177.8174.50000111.5L140 E142 V148L140-S150 PolarHBondContact O-N 3.47Å; E142-S150 PolarHBondContact OE1-OG 2.96Å; V148-S150 PolarHBondContact O-N 3.48Å
151S83.1Confident81.1Confident58 Ų5866.1 Ų66.141%0.40638%0.377SS..EExtended strand (participates in β ladder)trans-153.5152.7-176.6-178.20000112.1L140L140-S151 WeakPolarHBondContact CB-O 3.44Å; L140-S151 PolarHBondContact N-O 3.14Å
152V88.3Confident81.2Confident64 Ų6468.4 Ų68.439%0.38838%0.384SS..EExtended strand (participates in β ladder)trans-118.2118.8178.7-177.80000108.1C137 L139 V149 P154C137-V152 HydrophobicContact CB-CG1 3.52Å; C137-V152 VanDerWaalsContact SG-CG1 3.54Å; L139-V152 HydrophobicContact CD2-CG1 4.26Å; L139-V152 HydrophobicContact CD2-CG2 3.81Å; V149-V152 HydrophobicContact CG1-CG2 4.22Å; V152-P154 WeakPolarHBondContact O-CD 3.33Å
153V89.9Confident81.7Confident35 Ų3568 Ų6821%0.21238%0.384CS..EExtended strand (participates in β ladder)trans-103.5106.7177.3-176.60000109I113 C137 V138 L140I113-V153 HydrophobicContact CD1-CB 4.13Å; I113-V153 HydrophobicContact CD1-CG1 4.08Å; I113-V153 HydrophobicContact CD1-CG2 4.11Å; C137-V153 CarbonylContact C-O 3.57Å; C137-V153 VanDerWaalsContact CA-O 3.23Å; C137-V153 WeakPolarHBondContact CA-O 3.45Å; C137-V153 WeakPolarHBondContact CB-O 3.42Å; V138-V153 PolarHBondContact N-O 2.98Å; V138-V153 PolarHBondContact O-N 3.33Å; L140-V153 HydrophobicContact CD1-CG2 3.62Å; L140-V153 HydrophobicContact CG-CG2 4.21Å
154P90.5Very high82.5Confident35 Ų3566.6 Ų66.623%0.22737%0.37CS..EExtended strand (participates in β ladder)trans-69.6140175.731.2-37.2000111Y135 V152 Q157Y135-P154 HydrophobicContact CD2-CB 3.89Å; Y135-P154 HydrophobicContact CE2-CB 4.08Å; V152-P154 WeakPolarHBondContact O-CD 3.33Å; P154-Q157 HydrophobicContact CB-CG 4.14Å; P154-Q157 HydrophobicContact CG-CG 3.85Å
155L90.6Very high83.2Confident4 Ų461.7 Ų61.72%0.02134%0.335CS..SBendtrans-100.9150.4175.4-56179.7000109.4L89 L99 L136 V138 Q157L89-L155 HydrophobicContact CD1-CD1 3.9Å; L89-L155 HydrophobicContact CD1-CD2 3.93Å; L89-L155 HydrophobicContact CD1-CG 4.48Å; L89-L155 HydrophobicContact CD2-CD1 3.86Å; L99-L155 HydrophobicContact CD1-CD2 4.27Å; L99-L155 HydrophobicContact CD2-CD2 4.24Å; L136-L155 HydrophobicContact CB-CB 4.3Å; L136-L155 HydrophobicContact CD2-CD1 3.71Å; L136-L155 HydrophobicContact CG-CD1 3.93Å; L136-L155 PolarHBondContact O-N 2.92Å; V138-L155 HydrophobicContact CG2-CD1 3.82Å; V138-L155 HydrophobicContact CG2-CD2 3.97Å; V138-L155 HydrophobicContact CG2-CG 4.07Å; L155-Q157 PolarHBondContact O-N 3.14Å
156F88.3Confident84Confident4 Ų456.3 Ų56.32%0.01831%0.31CS..  trans57.644.3177.4-53.4-69.4000114.4V30 E87 L89 L136 S158 S159 K160 P161 V169V30-F156 HydrophobicContact CB-CD1 3.87Å; V30-F156 HydrophobicContact CB-CE1 3.87Å; V30-F156 HydrophobicContact CG2-CD1 3.65Å; V30-F156 HydrophobicContact CG2-CE1 3.34Å; V30-F156 HydrophobicContact CG2-CG 4.39Å; V30-F156 HydrophobicContact CG2-CZ 3.86Å; E87-F156 HydrophobicContact CB-CD1 3.89Å; E87-F156 HydrophobicContact CB-CE1 4.41Å; E87-F156 VanDerWaalsContact OE2-C 3.25Å; E87-F156 WeakPolarHBondContact OE2-CA 3.29Å; L89-F156 HydrophobicContact CB-CE1 4.19Å; L89-F156 HydrophobicContact CB-CE2 4.4Å; L89-F156 HydrophobicContact CB-CZ 3.62Å; L89-F156 HydrophobicContact CD2-CE2 4.08Å; L89-F156 HydrophobicContact CD2-CZ 4.06Å; L89-F156 HydrophobicContact CG-CZ 4.46Å; L136-F156 HydrophobicContact CD2-CE2 4.26Å; F156-S158 PolarHBondContact O-N 2.63Å; F156-S159 WeakPolarHBondContact CB-OG 3.47Å; F156-K160 PolarHBondContact O-N 3.45Å; F156-K160 VanDerWaalsContact O-N 3.09Å; F156-P161 HydrophobicContact CB-CG 3.96Å; F156-P161 HydrophobicContact CG-CG 4.25Å; F156-V169 HydrophobicContact CE2-CG1 4.12Å; F156-V169 HydrophobicContact CZ-CG1 4.41Å
157Q84.8Confident85Confident129 Ų12954 Ų5460%0.60330%0.298SS*.THydrogen-bonded Turntrans-60.8-30.8-174.6-70.5-171.9-3900113.1E87 P154 L155 K160E87-Q157 PolarHBondContact OE1-N 3.44Å; P154-Q157 HydrophobicContact CB-CG 4.14Å; P154-Q157 HydrophobicContact CG-CG 3.85Å; L155-Q157 PolarHBondContact O-N 3.14Å; Q157-K160 WeakPolarHBondContact O-CE 3.32Å; Q157-K160 VanDerWaalsContact O-CG 3.29Å; Q157-K160 WeakPolarHBondContact O-CG 3.33Å
158S82.1Confident86Confident55 Ų5552.9 Ų52.939%0.38529%0.286SS..THydrogen-bonded Turntrans-91.1-47.5-176.8-166.20000112.9V84 E87 F156 K160V84-S158 WeakPolarHBondContact CB-OG 3.09Å; V84-S158 WeakPolarHBondContact CG1-OG 3.3Å; V84-S158 WeakPolarHBondContact CG2-OG 3.49Å; E87-S158 VanDerWaalsContact OE1-CB 3.24Å; E87-S158 WeakPolarHBondContact OE1-CB 3.13Å; E87-S158 PolarHBondContact OE1-N 3.48Å; E87-S158 PolarHBondContact OE2-N 3.26Å; F156-S158 PolarHBondContact O-N 2.63Å; S158-K160 VanDerWaalsContact C-N 3.31Å; S158-K160 PolarHBondContact O-N 2.9Å
159S80.3Confident86.9Confident3 Ų349.9 Ų49.92%0.02127%0.268CS..THydrogen-bonded Turntrans-70.7-28.1-177.859.10000112.7N8 I14 V30 E87 F156N8-S159 WeakPolarHBondContact CB-O 3.22Å; I14-S159 WeakPolarHBondContact CD1-O 3.25Å; V30-S159 WeakPolarHBondContact CG1-OG 3.47Å; E87-S159 WeakPolarHBondContact OE2-CB 3.45Å; E87-S159 PolarHBondContact OE2-N 3.09Å; E87-S159 PolarHBondContact OE2-OG 3.35Å; F156-S159 WeakPolarHBondContact CB-OG 3.47Å
160K86.8Confident87.7Confident107 Ų10750.6 Ų50.647%0.46527%0.265SS..  trans41.663.4179-60.1-176.2-176.7177.10112.2N8 I9 F156 Q157 S158N8-K160 WeakPolarHBondContact CA-O 2.92Å; N8-K160 WeakPolarHBondContact CB-O 3.46Å; I9-K160 HydrophobicContact CD1-CB 3.96Å; I9-K160 HydrophobicContact CD1-CD 3.55Å; I9-K160 HydrophobicContact CD1-CG 4.39Å; I9-K160 HydrophobicContact CG1-CB 3.88Å; I9-K160 HydrophobicContact CG1-CD 4.31Å; I9-K160 HydrophobicContact CG2-CB 4.43Å; I9-K160 PolarHBondContact N-O 3.39Å; F156-K160 PolarHBondContact O-N 3.45Å; F156-K160 VanDerWaalsContact O-N 3.09Å; Q157-K160 WeakPolarHBondContact O-CE 3.32Å; Q157-K160 VanDerWaalsContact O-CG 3.29Å; Q157-K160 WeakPolarHBondContact O-CG 3.33Å; S158-K160 VanDerWaalsContact C-N 3.31Å; S158-K160 PolarHBondContact O-N 2.9Å
161P87.8Confident88.4Confident4 Ų454.6 Ų54.63%0.02628%0.275CS..BIsolated β-bridgetrans-68.1155.4-177.32.411.6000110.8I14 V30 F156 C165 L166I14-P161 HydrophobicContact CD1-CB 4.21Å; V30-P161 HydrophobicContact CG1-CG 4.27Å; F156-P161 HydrophobicContact CB-CG 3.96Å; F156-P161 HydrophobicContact CG-CG 4.25Å; P161-C165 HydrophobicContact CB-CB 3.72Å; P161-L166 HydrophobicContact CB-CD1 3.42Å; P161-L166 VanDerWaalsContact CB-CD1 3.42Å; P161-L166 HydrophobicContact CG-CD1 3.44Å; P161-L166 VanDerWaalsContact CG-CD1 3.44Å; P161-L166 WeakPolarHBondContact O-CD1 3.41Å
162R89.8Confident88.7Confident117 Ų11752.7 Ų52.744%0.44226%0.262SS..  trans-73.9166.3173.4-74.5-177.7-178-166.2-6.9112.7S7 N8 N164 C165 L166S7-R162 WeakPolarHBondContact O-CB 3.39Å; S7-R162 VanDerWaalsContact O-CG 3.28Å; S7-R162 WeakPolarHBondContact O-CG 3.45Å; S7-R162 PolarHBondContact O-N 3.48Å; S7-R162 WeakPolarHBondContact OG-CD 3.3Å; N8-R162 PolarHBondContact O-NE 3.34Å; R162-N164 VanDerWaalsContact C-N 3.27Å; R162-N164 PolarHBondContact O-N 2.96Å; R162-N164 VanDerWaalsContact O-N 3.16Å; R162-C165 WeakPolarHBondContact O-CB 3.41Å; R162-C165 PolarHBondContact O-N 2.89Å; R162-L166 PolarHBondContact O-N 3.5Å; R162-L166 VanDerWaalsContact O-N 3.12Å
163L89Confident88.7Confident66 Ų6649.7 Ų49.735%0.34624%0.244SC..Hα-helixtrans-50.9-40.5-178.7-175.661.2000113.7I123 Y134 C165 L166 A167I123-L163 HydrophobicContact CD1-CD1 4.25Å; I123-L163 HydrophobicContact CG2-CD1 3.92Å; Y134-L163 HydrophobicContact CD1-CD1 4.22Å; Y134-L163 HydrophobicContact CD2-CB 4.19Å; Y134-L163 HydrophobicContact CD2-CD2 4.41Å; Y134-L163 HydrophobicContact CE2-CD2 4.43Å; Y134-L163 HydrophobicContact CG-CB 4.33Å; Y134-L163 HydrophobicContact CG-CD1 4.11Å; L163-C165 VanDerWaalsContact C-N 3.3Å; L163-C165 PolarHBondContact O-N 3.02Å; L163-L166 PolarHBondContact O-N 3.39Å; L163-A167 VanDerWaalsContact O-CB 3.28Å; L163-A167 WeakPolarHBondContact O-CB 3.32Å; L163-A167 PolarHBondContact O-N 3.01Å
164N89.1Confident88.7Confident97 Ų9750.8 Ų50.852%0.51925%0.247SC..Hα-helixtrans-58.3-42.6178.6-64.614.9000112.1E4 R162 K168E4-N164 PolarHBondContact OE2-ND2 3.41Å; R162-N164 VanDerWaalsContact C-N 3.27Å; R162-N164 PolarHBondContact O-N 2.96Å; R162-N164 VanDerWaalsContact O-N 3.16Å; N164-K168 PolarHBondContact O-N 3.25Å
165C88.3Confident88.7Confident2 Ų253.8 Ų53.81%0.01426%0.257CS..Hα-helixtrans-66.7-48.4175.9-170.60000111L6 P161 R162 L163 A167 K168 V169L6-C165 VanDerWaalsContact CD2-CA 3.5Å; L6-C165 HydrophobicContact CD2-CB 3.45Å; L6-C165 VanDerWaalsContact CD2-CB 3.45Å; P161-C165 HydrophobicContact CB-CB 3.72Å; R162-C165 WeakPolarHBondContact O-CB 3.41Å; R162-C165 PolarHBondContact O-N 2.89Å; L163-C165 VanDerWaalsContact C-N 3.3Å; L163-C165 PolarHBondContact O-N 3.02Å; C165-A167 VanDerWaalsContact C-N 3.33Å; C165-A167 PolarHBondContact O-N 3.2Å; C165-K168 PolarHBondContact O-N 2.89Å; C165-V169 PolarHBondContact O-N 3.49Å; C165-V169 VanDerWaalsContact O-N 3.1Å
166L91.3Very high88.5Confident3 Ų353.7 Ų53.72%0.01626%0.257CS..Hα-helixtrans-61.3-41.5-178.8-92.960.8000112I123 L136 P161 R162 L163 K168 V169 Y170I123-L166 HydrophobicContact CD1-CB 4.24Å; I123-L166 HydrophobicContact CG2-CD2 4.45Å; L136-L166 HydrophobicContact CB-CD2 4.11Å; L136-L166 HydrophobicContact CB-CG 4.07Å; L136-L166 VanDerWaalsContact N-CD2 3.33Å; P161-L166 HydrophobicContact CB-CD1 3.42Å; P161-L166 VanDerWaalsContact CB-CD1 3.42Å; P161-L166 HydrophobicContact CG-CD1 3.44Å; P161-L166 VanDerWaalsContact CG-CD1 3.44Å; P161-L166 WeakPolarHBondContact O-CD1 3.41Å; R162-L166 PolarHBondContact O-N 3.5Å; R162-L166 VanDerWaalsContact O-N 3.12Å; L163-L166 PolarHBondContact O-N 3.39Å; L166-K168 VanDerWaalsContact C-N 3.28Å; L166-K168 PolarHBondContact O-N 3.01Å; L166-V169 PolarHBondContact O-N 3.45Å; L166-Y170 WeakPolarHBondContact O-CB 3.29Å; L166-Y170 PolarHBondContact O-N 3.31Å
167A91.3Very high88.3Confident31 Ų3154.1 Ų54.126%0.25626%0.26SS..Hα-helixtrans-61.6-37.7178.200000111.6L163 C165 K171L163-A167 VanDerWaalsContact O-CB 3.28Å; L163-A167 WeakPolarHBondContact O-CB 3.32Å; L163-A167 PolarHBondContact O-N 3.01Å; C165-A167 VanDerWaalsContact C-N 3.33Å; C165-A167 PolarHBondContact O-N 3.2Å; A167-K171 WeakPolarHBondContact O-CB 3.39Å; A167-K171 VanDerWaalsContact O-CG 3.28Å; A167-K171 WeakPolarHBondContact O-CG 3.39Å; A167-K171 PolarHBondContact O-N 2.93Å
168K90.3Very high88.3Confident118 Ų11851.1 Ų51.151%0.51325%0.252SS..Hα-helixtrans-67.9-45.3176.6-170.5171.8179-179.80111.8L16 N164 C165 L166 S172L16-K168 HydrophobicContact CD2-CD 3.99Å; L16-K168 HydrophobicContact CD2-CG 4.36Å; N164-K168 PolarHBondContact O-N 3.25Å; C165-K168 PolarHBondContact O-N 2.89Å; L166-K168 VanDerWaalsContact C-N 3.28Å; L166-K168 PolarHBondContact O-N 3.01Å; K168-S172 WeakPolarHBondContact O-CB 3.36Å; K168-S172 PolarHBondContact O-N 3.39Å; K168-S172 PolarHBondContact O-OG 2.81Å
169V91.4Very high88.2Confident1 Ų154 Ų541%0.00626%0.258CS..Hα-helixtrans-63.5-47.4175.7177.80000110.4L16 F28 L89 L136 F156 C165 L166 S172 C173L16-V169 HydrophobicContact CD1-CG2 3.81Å; L16-V169 HydrophobicContact CD2-CG2 4.15Å; F28-V169 HydrophobicContact CB-CG1 4.35Å; F28-V169 HydrophobicContact CB-CG2 4.42Å; F28-V169 HydrophobicContact CD1-CG1 4.28Å; F28-V169 HydrophobicContact CD1-CG2 4.17Å; F28-V169 HydrophobicContact CD2-CG1 4.04Å; F28-V169 HydrophobicContact CE2-CG1 4.41Å; F28-V169 HydrophobicContact CG-CG1 3.96Å; F28-V169 HydrophobicContact CG-CG2 4.36Å; L89-V169 HydrophobicContact CD2-CG1 3.95Å; L136-V169 HydrophobicContact CD2-CG1 3.97Å; F156-V169 HydrophobicContact CE2-CG1 4.12Å; F156-V169 HydrophobicContact CZ-CG1 4.41Å; C165-V169 PolarHBondContact O-N 3.49Å; C165-V169 VanDerWaalsContact O-N 3.1Å; L166-V169 PolarHBondContact O-N 3.45Å; V169-S172 PolarHBondContact O-N 3.18Å; V169-C173 PolarHBondContact O-N 3.08Å; V169-C173 PolarHBondContact O-SG 3.41Å
170Y92.4Very high87.6Confident72 Ų7256.2 Ų56.228%0.28227%0.273SS..Hα-helixtrans-57.8-52.8179.4172.2-108.2000112.5I121 I123 L136 L166 S172 C173 Q174I121-Y170 HydrophobicContact CG2-CD2 4.3Å; I121-Y170 VanDerWaalsContact O-CE2 3.22Å; I121-Y170 WeakPolarHBondContact O-CE2 3.41Å; I123-Y170 HydrophobicContact CD1-CD1 4.31Å; I123-Y170 HydrophobicContact CD1-CG 4.09Å; I123-Y170 HydrophobicContact CG1-CG 4.26Å; L136-Y170 HydrophobicContact CD1-CD2 4.14Å; L136-Y170 HydrophobicContact CD1-CG 4.47Å; L166-Y170 WeakPolarHBondContact O-CB 3.29Å; L166-Y170 PolarHBondContact O-N 3.31Å; Y170-S172 PolarHBondContact O-N 3.26Å; Y170-C173 WeakPolarHBondContact O-CB 3.4Å; Y170-C173 PolarHBondContact O-N 3.45Å; Y170-C173 VanDerWaalsContact O-N 3.08Å; Y170-Q174 PolarHBondContact O-N 3.26Å
171K91.1Very high86.2Confident141 Ų14161.6 Ų61.661%0.61330%0.3SS*.Hα-helixtrans-54.3-45.1177.1-76.7177.6-178.4-1780111.3A167 C173 Q174 E175A167-K171 WeakPolarHBondContact O-CB 3.39Å; A167-K171 VanDerWaalsContact O-CG 3.28Å; A167-K171 WeakPolarHBondContact O-CG 3.39Å; A167-K171 PolarHBondContact O-N 2.93Å; K171-C173 VanDerWaalsContact C-N 3.34Å; K171-C173 PolarHBondContact O-N 3.11Å; K171-Q174 PolarHBondContact O-N 3.31Å; K171-E175 WeakPolarHBondContact O-CG 3.16Å; K171-E175 PolarHBondContact O-N 2.97Å
172S89Confident86.2Confident19 Ų1964.5 Ų64.513%0.13331%0.314CS..Hα-helixtrans-68.4-32.4-178.9-56.90000112.8R26 F28 K168 V169 Y170 I176R26-S172 PolarHBondContact NH1-O 3.37Å; F28-S172 VanDerWaalsContact CE1-CB 3.43Å; K168-S172 WeakPolarHBondContact O-CB 3.36Å; K168-S172 PolarHBondContact O-N 3.39Å; K168-S172 PolarHBondContact O-OG 2.81Å; V169-S172 PolarHBondContact O-N 3.18Å; Y170-S172 PolarHBondContact O-N 3.26Å; S172-I176 WeakPolarHBondContact O-CD1 3.33Å; S172-I176 WeakPolarHBondContact O-CG1 3.26Å
173C89.4Confident86Confident0 Ų061.7 Ų61.70%031%0.307CS..Hα-helixtrans-69.2-46.1172.1-64.10000110.7I121 V169 Y170 K171 E175 I176 L177I121-C173 HydrophobicContact CD1-CB 3.86Å; V169-C173 PolarHBondContact O-N 3.08Å; V169-C173 PolarHBondContact O-SG 3.41Å; Y170-C173 WeakPolarHBondContact O-CB 3.4Å; Y170-C173 PolarHBondContact O-N 3.45Å; Y170-C173 VanDerWaalsContact O-N 3.08Å; K171-C173 VanDerWaalsContact C-N 3.34Å; K171-C173 PolarHBondContact O-N 3.11Å; C173-E175 VanDerWaalsContact C-N 3.31Å; C173-E175 PolarHBondContact O-N 2.95Å; C173-I176 PolarHBondContact O-N 3.42Å; C173-L177 WeakPolarHBondContact O-CG 3.42Å; C173-L177 PolarHBondContact O-N 3.27Å
174Q89.6Confident85.8Confident59 Ų5961.4 Ų61.428%0.27631%0.305SS..Hα-helixtrans-60.4-40.9-179.5-165.663.631.600111.8Y170 K171 I176 L177 S178Y170-Q174 PolarHBondContact O-N 3.26Å; K171-Q174 PolarHBondContact O-N 3.31Å; Q174-I176 PolarHBondContact O-N 3.28Å; Q174-L177 PolarHBondContact O-N 3.47Å; Q174-S178 VanDerWaalsContact O-CB 3.28Å; Q174-S178 WeakPolarHBondContact O-CB 3.41Å; Q174-S178 PolarHBondContact O-N 3.38Å; Q174-S178 PolarHBondContact O-OG 2.78Å
175E89.3Confident85.6Confident97 Ų9759.4 Ų59.445%0.45329%0.292SS..Hα-helixtrans-59-31.2174.6-77.8173.6-170.800113.9R26 K171 C173 S178 K179R26-E175 IonicContact NH1-OE2 3.85Å; R26-E175 PolarHBondContact NH1-OE2 3.31Å; K171-E175 WeakPolarHBondContact O-CG 3.16Å; K171-E175 PolarHBondContact O-N 2.97Å; C173-E175 VanDerWaalsContact C-N 3.31Å; C173-E175 PolarHBondContact O-N 2.95Å; E175-S178 PolarHBondContact O-OG 2.91Å; E175-K179 WeakPolarHBondContact O-CD 3.42Å; E175-K179 WeakPolarHBondContact O-CE 3.39Å; E175-K179 VanDerWaalsContact O-CG 3.28Å; E175-K179 WeakPolarHBondContact O-CG 3.47Å
176I87.2Confident85.4Confident2 Ų262.9 Ų62.91%0.0131%0.31CS..Hα-helixtrans-81.4-45.8179.1-66.3166.3000109.4R26 V91 S172 C173 Q174 S178 K179R26-I176 HydrophobicContact CB-CD1 3.35Å; R26-I176 HydrophobicContact CG-CD1 4.31Å; V91-I176 HydrophobicContact CB-CD1 4.45Å; V91-I176 HydrophobicContact CG1-CB 4.41Å; V91-I176 HydrophobicContact CG1-CD1 4.41Å; V91-I176 HydrophobicContact CG1-CG2 4.07Å; S172-I176 WeakPolarHBondContact O-CD1 3.33Å; S172-I176 WeakPolarHBondContact O-CG1 3.26Å; C173-I176 PolarHBondContact O-N 3.42Å; Q174-I176 PolarHBondContact O-N 3.28Å; I176-S178 VanDerWaalsContact C-N 3.33Å; I176-S178 PolarHBondContact O-N 2.88Å; I176-K179 PolarHBondContact O-N 3.31Å
177L84.9Confident85Confident14 Ų1466.9 Ų66.97%0.07333%0.329CS..Hα-helixtrans-63.4-39.6179.6-64.4168.9000111.5M115 I121 C173 Q174 K179 C180 Q181M115-L177 HydrophobicContact CE-CD2 3.5Å; M115-L177 HydrophobicContact SD-CD2 3.76Å; I121-L177 HydrophobicContact CD1-CD1 3.62Å; I121-L177 HydrophobicContact CG1-CD1 4.02Å; C173-L177 WeakPolarHBondContact O-CG 3.42Å; C173-L177 PolarHBondContact O-N 3.27Å; Q174-L177 PolarHBondContact O-N 3.47Å; L177-K179 PolarHBondContact O-N 3Å; L177-C180 PolarHBondContact O-N 2.95Å; L177-C180 VanDerWaalsContact O-N 3.13Å; L177-Q181 PolarHBondContact O-N 2.96Å
178S83.6Confident84.6Confident65 Ų6569.5 Ų69.546%0.45533%0.334SS..THydrogen-bonded Turntrans-66.9-20.1178.568.40000113.9Q174 E175 I176Q174-S178 VanDerWaalsContact O-CB 3.28Å; Q174-S178 WeakPolarHBondContact O-CB 3.41Å; Q174-S178 PolarHBondContact O-N 3.38Å; Q174-S178 PolarHBondContact O-OG 2.78Å; E175-S178 PolarHBondContact O-OG 2.91Å; I176-S178 VanDerWaalsContact C-N 3.33Å; I176-S178 PolarHBondContact O-N 2.88Å
179K80.1Confident84.2Confident115 Ų11565.8 Ų65.850%0.532%0.321SS..THydrogen-bonded Turntrans-84.8-14.3176.3-69.6173.2-173.4176.90113F24 E175 I176 L177F24-K179 HydrophobicContact CD1-CB 4.28Å; F24-K179 HydrophobicContact CE1-CB 3.81Å; E175-K179 WeakPolarHBondContact O-CD 3.42Å; E175-K179 WeakPolarHBondContact O-CE 3.39Å; E175-K179 VanDerWaalsContact O-CG 3.28Å; E175-K179 WeakPolarHBondContact O-CG 3.47Å; I176-K179 PolarHBondContact O-N 3.31Å; L177-K179 PolarHBondContact O-N 3Å
180C67.2Low83.6Confident50 Ų5071.2 Ų71.234%0.33835%0.347SS..  trans-106.6-2-177.6-690000113.1F24 L177F24-C180 WeakPolarHBondContact CD1-SG 3.49Å; L177-C180 PolarHBondContact O-N 2.95Å; L177-C180 VanDerWaalsContact O-N 3.13Å
181Q58.9Low82.8Confident220 Ų22071.1 Ų71.1100%1.02835%0.353SS*.  trans-95.20178.5-154.6173.65.200110.4L177L177-Q181 PolarHBondContact O-N 2.96Å

Retrieved 181 of 181 residues in 148 ms (Link to these results)

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