A0A077ZM11_TRITR Loading...

BED-type domain-containing protein

AlphaFold DB , UniProt , Accession A0A077ZM11, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 391 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M30.1Very low43.9Very low244 Ų244138.5 Ų138.5100%1.20277%0.771SS**  01160-72177.716500107.7Q3M1-Q3 PolarHBondContact O-N 3.48Å
2A37.5Very low46.4Very low110 Ų110129.7 Ų129.791%0.90973%0.725SS**PPolyproline II helixtrans-72.7121.8-174.800000111
3Q36.6Very low48.8Very low197 Ų197127 Ų12792%0.92172%0.721SS**PPolyproline II helixtrans-78.7116.5167.4-83.5174.4-17.700108.9M1 S5M1-Q3 PolarHBondContact O-N 3.48Å; Q3-S5 PolarHBondContact O-N 3.45Å
4A37Very low51.2Low96 Ų96126.9 Ų126.979%0.79371%0.711SS**PPolyproline II helixtrans-65125.3171.400000110.2K6A4-K6 PolarHBondContact O-N 3.49Å
5S38.5Very low53.5Low115 Ų115120.2 Ų120.280%0.80467%0.671SS**PPolyproline II helixtrans-70.1118171.155.40000109.7Q3 K7Q3-S5 PolarHBondContact O-N 3.45Å; S5-K7 PolarHBondContact O-N 3.35Å
6K37.2Very low55.7Low202 Ų202114 Ų11488%0.87864%0.636SS**  trans-68.7111.4170.8-76.6179.4177.8174.80108.3A4 C8A4-K6 PolarHBondContact O-N 3.49Å; K6-C8 PolarHBondContact O-N 3.2Å
7K42.2Very low57.5Low204 Ų204113.5 Ų113.589%0.88763%0.627SS**  trans-58.7118.1169.3-83.5-178.3175-179.50109.3S5 G9S5-K7 PolarHBondContact O-N 3.35Å; K7-G9 PolarHBondContact O-N 2.96Å
8C41Very low59.2Low85 Ų85109.7 Ų109.757%0.57460%0.603SS**  trans-67122.8168.1-155.10000107.9K6 Q10 N41K6-C8 PolarHBondContact O-N 3.2Å; C8-Q10 PolarHBondContact O-N 3.4Å; C8-N41 PolarHBondContact SG-ND2 3.23Å
9G52.9Low60.7Low51 Ų51103.9 Ų103.953%0.52657%0.571SS.*  trans-70.8114.2177.700000109.6K7 M44K7-G9 PolarHBondContact O-N 2.96Å; G9-M44 WeakPolarHBondContact O-CE 3.22Å
10Q61.4Low62Low164 Ų16498.7 Ų98.777%0.76654%0.543SS*.PPolyproline II helixtrans-66.1151.9173-70.6177.6-21.300110.3C8 S12C8-Q10 PolarHBondContact O-N 3.4Å; Q10-S12 PolarHBondContact O-N 3.28Å
11Y68.2Low63.1Low56 Ų5694 Ų9422%0.2252%0.517CS..PPolyproline II helixtrans-61.8130.4173.8174.7-88.1000110.2Y15 F20 A21 V22 P30 M44Y11-Y15 AromaticContact CD2-CD2 3.67Å; Y11-Y15 HydrophobicContact CD2-CD2 3.67Å; Y11-Y15 HydrophobicContact CD2-CE2 4.42Å; Y11-Y15 AromaticContact CE2-CD2 3.85Å; Y11-Y15 HydrophobicContact CE2-CD2 3.85Å; Y11-Y15 HydrophobicContact CE2-CG 4.35Å; Y11-Y15 HydrophobicContact CG-CD2 4.26Å; Y11-F20 PolarHBondContact OH-O 3.14Å; Y11-A21 WeakPolarHBondContact OH-CA 3.18Å; Y11-V22 HydrophobicContact CD1-CG2 3.36Å; Y11-V22 HydrophobicContact CD2-CG2 3.31Å; Y11-V22 HydrophobicContact CE1-CG2 3.79Å; Y11-V22 HydrophobicContact CE2-CG2 3.76Å; Y11-V22 HydrophobicContact CG-CG2 3.11Å; Y11-P30 HydrophobicContact CD2-CB 4.46Å; Y11-M44 VanDerWaalsContact CA-CE 3.42Å
12S74.4Confident65.4Low32 Ų3284.3 Ų84.322%0.22447%0.471CS..PPolyproline II helixtrans-95.8133.7171.6179.70000109.2Q10 E14 Y15Q10-S12 PolarHBondContact O-N 3.28Å; S12-E14 PolarHBondContact O-N 3.25Å; S12-E14 WeakPolarHBondContact OG-CB 3.38Å; S12-E14 WeakPolarHBondContact OG-CG 3.47Å; S12-E14 PolarHBondContact OG-N 3.46Å; S12-Y15 WeakPolarHBondContact O-CB 3.4Å; S12-Y15 WeakPolarHBondContact O-CD2 3.28Å; S12-Y15 VanDerWaalsContact O-CG 3.3Å; S12-Y15 PolarHBondContact O-N 3.46Å
13S77.4Confident66.9Low95 Ų9580.6 Ų80.666%0.66444%0.435SS*.G310 helixtrans-56.8-21.6172.7560000112.7Y15 L16S13-Y15 PolarHBondContact O-N 3.44Å; S13-L16 WeakPolarHBondContact O-CB 3.44Å; S13-L16 PolarHBondContact O-N 3.27Å
14E82.8Confident68.2Low126 Ų12672.5 Ų72.559%0.58940%0.4SS*.G310 helixtrans-60.3-24.8173.3-62.7175.8164.800112.9S12 L16 H17S12-E14 PolarHBondContact O-N 3.25Å; S12-E14 WeakPolarHBondContact OG-CB 3.38Å; S12-E14 WeakPolarHBondContact OG-CG 3.47Å; S12-E14 PolarHBondContact OG-N 3.46Å; E14-L16 PolarHBondContact O-N 2.69Å; E14-L16 VanDerWaalsContact O-N 3.12Å; E14-H17 WeakPolarHBondContact O-CB 3.5Å; E14-H17 PolarHBondContact O-N 3.27Å; E14-H17 PolarHBondContact O-ND1 3.03Å
15Y85.7Confident69.5Low26 Ų2670.7 Ų70.710%0.10239%0.391CS..G310 helixtrans-66.4-15.4-179.3-58.6-17.1000113.6Y11 S12 S13 H17 F18 G19 F20 M44 P46 L49Y11-Y15 AromaticContact CD2-CD2 3.67Å; Y11-Y15 HydrophobicContact CD2-CD2 3.67Å; Y11-Y15 HydrophobicContact CD2-CE2 4.42Å; Y11-Y15 AromaticContact CE2-CD2 3.85Å; Y11-Y15 HydrophobicContact CE2-CD2 3.85Å; Y11-Y15 HydrophobicContact CE2-CG 4.35Å; Y11-Y15 HydrophobicContact CG-CD2 4.26Å; S12-Y15 WeakPolarHBondContact O-CB 3.4Å; S12-Y15 WeakPolarHBondContact O-CD2 3.28Å; S12-Y15 VanDerWaalsContact O-CG 3.3Å; S12-Y15 PolarHBondContact O-N 3.46Å; S13-Y15 PolarHBondContact O-N 3.44Å; Y15-H17 PolarHBondContact O-N 2.75Å; Y15-F18 HydrophobicContact CD1-CD2 4.3Å; Y15-F18 HydrophobicContact CD1-CE2 4.41Å; Y15-F18 WeakPolarHBondContact O-CA 3.34Å; Y15-F18 PolarHBondContact O-N 3.42Å; Y15-G19 PolarHBondContact O-N 2.92Å; Y15-F20 PolarHBondContact O-N 2.92Å; Y15-F20 VanDerWaalsContact O-N 3.12Å; Y15-M44 HydrophobicContact CE2-CE 4.01Å; Y15-M44 PolarHBondContact OH-O 2.89Å; Y15-P46 HydrophobicContact CE1-CG 3.93Å; Y15-L49 HydrophobicContact CD1-CD1 3.97Å; Y15-L49 HydrophobicContact CD2-CD1 3.85Å; Y15-L49 HydrophobicContact CE1-CD1 4.42Å; Y15-L49 HydrophobicContact CE2-CD1 4.29Å; Y15-L49 HydrophobicContact CG-CD1 3.67Å
16L87.3Confident70.6Confident21 Ų2168 Ų6811%0.1137%0.369CS..G310 helixtrans-59.6-30.8169.9-168.765.1000112S13 E14 F18 G19 F20 L33 V65 Y68 R69 R72S13-L16 WeakPolarHBondContact O-CB 3.44Å; S13-L16 PolarHBondContact O-N 3.27Å; E14-L16 PolarHBondContact O-N 2.69Å; E14-L16 VanDerWaalsContact O-N 3.12Å; L16-F18 PolarHBondContact O-N 3.1Å; L16-G19 PolarHBondContact O-N 3.09Å; L16-F20 WeakPolarHBondContact CA-O 3.46Å; L16-F20 PolarHBondContact N-O 3.25Å; L16-L33 HydrophobicContact CD1-CD1 3.73Å; L16-V65 HydrophobicContact CD2-CG1 3.94Å; L16-V65 HydrophobicContact CG-CG1 4.39Å; L16-Y68 WeakPolarHBondContact O-CB 3.42Å; L16-Y68 WeakPolarHBondContact O-CD2 3.42Å; L16-R69 HydrophobicContact CD2-CB 4.41Å; L16-R72 HydrophobicContact CD1-CB 4.38Å
17H87.5Confident71.7Confident106 Ų10665.8 Ų65.849%0.49136%0.362SS..G310 helixtrans-66-20.1174.7-62.570.8000112.6E14 Y15 V65E14-H17 WeakPolarHBondContact O-CB 3.5Å; E14-H17 PolarHBondContact O-N 3.27Å; E14-H17 PolarHBondContact O-ND1 3.03Å; Y15-H17 PolarHBondContact O-N 2.75Å; H17-V65 WeakPolarHBondContact CD2-CG2 3.48Å; H17-V65 VanDerWaalsContact NE2-CG2 3.31Å; H17-V65 WeakPolarHBondContact NE2-CG2 3.24Å
18F87.3Confident73Confident44 Ų4460.4 Ų60.419%0.19334%0.34CS..G310 helixtrans-97.76.4175.1-53.3-56.1000112.3Y15 L16 F20 P46 L49 K50Y15-F18 HydrophobicContact CD1-CD2 4.3Å; Y15-F18 HydrophobicContact CD1-CE2 4.41Å; Y15-F18 WeakPolarHBondContact O-CA 3.34Å; Y15-F18 PolarHBondContact O-N 3.42Å; L16-F18 PolarHBondContact O-N 3.1Å; F18-F20 HydrophobicContact CB-CD2 3.82Å; F18-F20 HydrophobicContact CB-CE2 4.24Å; F18-F20 WeakPolarHBondContact O-CD2 3.17Å; F18-F20 WeakPolarHBondContact O-CE2 3.38Å; F18-P46 HydrophobicContact CE2-CB 4.08Å; F18-L49 HydrophobicContact CB-CB 4.15Å; F18-L49 HydrophobicContact CD2-CB 4.32Å; F18-L49 HydrophobicContact CG-CB 4.4Å; F18-K50 HydrophobicContact CD1-CB 3.82Å; F18-K50 HydrophobicContact CD1-CG 4.11Å; F18-K50 HydrophobicContact CE1-CB 3.86Å; F18-K50 HydrophobicContact CE1-CD 3.99Å; F18-K50 HydrophobicContact CE1-CG 4.02Å
19G87.5Confident74.4Confident0 Ų058.7 Ų58.70%033%0.325CS..THydrogen-bonded Turntrans74.132.8-176.200000114.1Y15 L16 C32 L33Y15-G19 PolarHBondContact O-N 2.92Å; L16-G19 PolarHBondContact O-N 3.09Å; G19-C32 CarbonylContact O-C 3.59Å; G19-L33 WeakPolarHBondContact O-CB 3.41Å; G19-L33 PolarHBondContact O-N 3.18Å
20F88Confident75.4Confident0 Ų056.3 Ų56.30%030%0.3CS..EExtended strand (participates in β ladder)trans-115.8147176.6-71.1-94.8000111.9Y11 Y15 L16 F18 P30 V31 C32 F39 L49 H52Y11-F20 PolarHBondContact OH-O 3.14Å; Y15-F20 PolarHBondContact O-N 2.92Å; Y15-F20 VanDerWaalsContact O-N 3.12Å; L16-F20 WeakPolarHBondContact CA-O 3.46Å; L16-F20 PolarHBondContact N-O 3.25Å; F18-F20 HydrophobicContact CB-CD2 3.82Å; F18-F20 HydrophobicContact CB-CE2 4.24Å; F18-F20 WeakPolarHBondContact O-CD2 3.17Å; F18-F20 WeakPolarHBondContact O-CE2 3.38Å; F20-P30 HydrophobicContact CD1-CB 4.17Å; F20-V31 CarbonylContact C-O 3.51Å; F20-V31 VanDerWaalsContact CA-O 3.24Å; F20-V31 WeakPolarHBondContact CA-O 3.49Å; F20-V31 WeakPolarHBondContact CD1-O 3.24Å; F20-C32 HydrophobicContact CD1-CB 4.13Å; F20-C32 HydrophobicContact CE1-CB 3.67Å; F20-C32 HydrophobicContact CZ-CB 4.05Å; F20-F39 HydrophobicContact CD1-CD2 4.45Å; F20-F39 AromaticContact CE1-CD2 3.64Å; F20-F39 HydrophobicContact CE1-CD2 3.64Å; F20-F39 AromaticContact CE1-CE2 3.46Å; F20-F39 HydrophobicContact CE1-CE2 3.46Å; F20-F39 VanDerWaalsContact CE1-CE2 3.46Å; F20-F39 HydrophobicContact CE1-CG 4.45Å; F20-F39 HydrophobicContact CE1-CZ 4.09Å; F20-F39 HydrophobicContact CZ-CE2 4.04Å; F20-F39 HydrophobicContact CZ-CZ 4.24Å; F20-L49 HydrophobicContact CD1-CD2 3.84Å; F20-L49 HydrophobicContact CD2-CB 3.86Å; F20-L49 HydrophobicContact CD2-CD1 4.29Å; F20-L49 HydrophobicContact CD2-CD2 4.06Å; F20-L49 HydrophobicContact CD2-CG 4.28Å; F20-L49 HydrophobicContact CE1-CD2 3.6Å; F20-L49 HydrophobicContact CE2-CB 3.62Å; F20-L49 HydrophobicContact CE2-CD2 3.86Å; F20-L49 HydrophobicContact CE2-CG 4.23Å; F20-L49 HydrophobicContact CG-CD1 4.34Å; F20-L49 HydrophobicContact CG-CD2 4.05Å; F20-L49 HydrophobicContact CZ-CB 4.17Å; F20-L49 HydrophobicContact CZ-CD2 3.6Å; F20-L49 HydrophobicContact CZ-CG 4.44Å; F20-H52 HydrophobicContact CZ-CB 4.23Å; F20-H52 AromaticContact CZ-CD2 3.45Å; F20-H52 VanDerWaalsContact CZ-CD2 3.45Å; F20-H52 WeakPolarHBondContact CZ-CD2 3.33Å
21A84.4Confident76.2Confident0 Ų048.5 Ų48.50%026%0.264CS..EExtended strand (participates in β ladder)trans-133.1167.6170.300000110.4Y11 P30 V31 L33 R72 V76Y11-A21 WeakPolarHBondContact OH-CA 3.18Å; A21-P30 CarbonylContact O-C 3.57Å; A21-P30 WeakPolarHBondContact O-CA 3.4Å; A21-V31 HydrophobicContact CB-CG1 4.34Å; A21-V31 PolarHBondContact N-O 3.25Å; A21-V31 WeakPolarHBondContact O-CG1 3.38Å; A21-V31 PolarHBondContact O-N 2.84Å; A21-L33 HydrophobicContact CB-CD1 4.2Å; A21-L33 HydrophobicContact CB-CD2 3.62Å; A21-L33 HydrophobicContact CB-CG 4.05Å; A21-R72 HydrophobicContact CB-CG 4.14Å; A21-V76 HydrophobicContact CB-CG2 4.31Å
22V78.6Confident76.9Confident41 Ų4145.9 Ų45.925%0.24825%0.253CS..EExtended strand (participates in β ladder)trans-80.5135.4170.7-176.10000108.9Y11 T26Y11-V22 HydrophobicContact CD1-CG2 3.36Å; Y11-V22 HydrophobicContact CD2-CG2 3.31Å; Y11-V22 HydrophobicContact CE1-CG2 3.79Å; Y11-V22 HydrophobicContact CE2-CG2 3.76Å; Y11-V22 HydrophobicContact CG-CG2 3.11Å; V22-T26 VanDerWaalsContact CG1-O 3.26Å; V22-T26 WeakPolarHBondContact CG1-O 3.17Å
23M67.9Low77.4Confident31 Ų3144.5 Ų44.515%0.15324%0.243CC..PPolyproline II helixtrans-60.2124.9169-79-64.6-70.900110.2T26 L29 V31 V38 I79M23-T26 WeakPolarHBondContact CB-OG1 3.48Å; M23-T26 CarbonylContact O-C 3.4Å; M23-T26 PolarHBondContact O-N 3.05Å; M23-L29 PolarHBondContact N-O 3.36Å; M23-V31 HydrophobicContact CG-CB 3.84Å; M23-V31 HydrophobicContact CG-CG1 4.08Å; M23-V31 HydrophobicContact SD-CB 3.57Å; M23-V31 VanDerWaalsContact SD-CB 3.57Å; M23-V31 HydrophobicContact SD-CG1 3.74Å; M23-V31 HydrophobicContact SD-CG2 3.93Å; M23-V38 HydrophobicContact CE-CG2 4.28Å; M23-V38 HydrophobicContact CG-CG1 4.3Å; M23-V38 HydrophobicContact CG-CG2 3.99Å; M23-V38 HydrophobicContact SD-CG2 3.98Å; M23-I79 HydrophobicContact CE-CD1 4.15Å; M23-I79 HydrophobicContact CE-CG2 3.55Å; M23-I79 HydrophobicContact SD-CD1 3.7Å; M23-I79 HydrophobicContact SD-CG2 4.27Å
24P64.9Low77.6Confident27 Ų2741.5 Ų41.518%0.17522%0.22CC..THydrogen-bonded Turntrans-55.2146.7169.618.9-24.8000109.5T26 V76 I79 S80 L83P24-T26 PolarHBondContact O-N 2.83Å; P24-V76 HydrophobicContact CB-CG1 4.4Å; P24-V76 HydrophobicContact CG-CG1 3.95Å; P24-I79 HydrophobicContact CG-CB 4.01Å; P24-I79 HydrophobicContact CG-CG2 3.71Å; P24-S80 WeakPolarHBondContact CB-OG 3.49Å; P24-S80 WeakPolarHBondContact CG-OG 3.35Å; P24-L83 VanDerWaalsContact C-CD1 3.42Å; P24-L83 HydrophobicContact CB-CD1 3.94Å; P24-L83 HydrophobicContact CG-CD1 3.86Å; P24-L83 WeakPolarHBondContact O-CD1 3.4Å
25G64.7Low77.4Confident58 Ų5836.9 Ų36.960%0.59820%0.201SC*.THydrogen-bonded Turntrans73.9-12.3-177.700000116.6
26T60.7Low76.8Confident58 Ų5841.5 Ų41.536%0.35622%0.224SC..  trans-130.594.7170.461.80000109.4V22 M23 P24 H28 L29V22-T26 VanDerWaalsContact CG1-O 3.26Å; V22-T26 WeakPolarHBondContact CG1-O 3.17Å; M23-T26 WeakPolarHBondContact CB-OG1 3.48Å; M23-T26 CarbonylContact O-C 3.4Å; M23-T26 PolarHBondContact O-N 3.05Å; P24-T26 PolarHBondContact O-N 2.83Å; T26-H28 PolarHBondContact O-N 3.03Å; T26-L29 HydrophobicContact CG2-CD1 4.42Å; T26-L29 PolarHBondContact O-N 3.26Å
27E61.3Low76.2Confident157 Ų15747.2 Ų47.273%0.73424%0.244SC*.THydrogen-bonded Turntrans-60.51-171.1-64.9-176.4174.600115.4
28H68.4Low75.6Confident90 Ų9045.3 Ų45.342%0.41724%0.24SC..THydrogen-bonded Turntrans-130-18.9-170.3-55.3-34.9000114.7T26 P30 N41T26-H28 PolarHBondContact O-N 3.03Å; H28-P30 VanDerWaalsContact O-CD 3.28Å; H28-P30 WeakPolarHBondContact O-CD 3.47Å; H28-N41 PolarHBondContact O-OD1 3.12Å
29L70.4Confident74.6Confident50 Ų5044.8 Ų44.826%0.26224%0.237SC..  trans-92.3114.8-174.9-61.7176.1000110.5M23 T26 V38 F39M23-L29 PolarHBondContact N-O 3.36Å; T26-L29 HydrophobicContact CG2-CD1 4.42Å; T26-L29 PolarHBondContact O-N 3.26Å; L29-V38 HydrophobicContact CB-CG1 3.7Å; L29-V38 HydrophobicContact CD1-CG1 4.04Å; L29-V38 HydrophobicContact CG-CG1 4.38Å; L29-F39 WeakPolarHBondContact CD2-O 3.42Å
30P75Confident73.6Confident0 Ų050.7 Ų50.70%027%0.268CS..EExtended strand (participates in β ladder)trans-73.9139.7173.434.5-41.5000110.8Y11 F20 A21 H28 F39 M44Y11-P30 HydrophobicContact CD2-CB 4.46Å; F20-P30 HydrophobicContact CD1-CB 4.17Å; A21-P30 CarbonylContact O-C 3.57Å; A21-P30 WeakPolarHBondContact O-CA 3.4Å; H28-P30 VanDerWaalsContact O-CD 3.28Å; H28-P30 WeakPolarHBondContact O-CD 3.47Å; P30-F39 WeakPolarHBondContact CD-O 3.36Å; P30-F39 HydrophobicContact CG-CB 4Å; P30-F39 PolarHBondContact O-N 3.41Å; P30-M44 HydrophobicContact CB-CG 4.49Å; P30-M44 HydrophobicContact CG-CG 3.51Å; P30-M44 HydrophobicContact CG-SD 4.35Å
31V78.3Confident72.5Confident1 Ų153 Ų531%0.00628%0.281CS..EExtended strand (participates in β ladder)trans-109.3135170.257.80000109.2F20 A21 M23 L33 E36 R37F20-V31 CarbonylContact C-O 3.51Å; F20-V31 VanDerWaalsContact CA-O 3.24Å; F20-V31 WeakPolarHBondContact CA-O 3.49Å; F20-V31 WeakPolarHBondContact CD1-O 3.24Å; A21-V31 HydrophobicContact CB-CG1 4.34Å; A21-V31 PolarHBondContact N-O 3.25Å; A21-V31 WeakPolarHBondContact O-CG1 3.38Å; A21-V31 PolarHBondContact O-N 2.84Å; M23-V31 HydrophobicContact CG-CB 3.84Å; M23-V31 HydrophobicContact CG-CG1 4.08Å; M23-V31 HydrophobicContact SD-CB 3.57Å; M23-V31 VanDerWaalsContact SD-CB 3.57Å; M23-V31 HydrophobicContact SD-CG1 3.74Å; M23-V31 HydrophobicContact SD-CG2 3.93Å; V31-L33 PolarHBondContact O-N 3.3Å; V31-E36 WeakPolarHBondContact CG2-O 3.37Å; V31-R37 WeakPolarHBondContact CA-O 3.14Å
32C83.1Confident71.5Confident0 Ų060.2 Ų60.20%031%0.314CS..EExtended strand (participates in β ladder)trans-71.2122.7167.4-176.60000108.4G19 F20 L34 C35 E36 R37 F39 H52G19-C32 CarbonylContact O-C 3.59Å; F20-C32 HydrophobicContact CD1-CB 4.13Å; F20-C32 HydrophobicContact CE1-CB 3.67Å; F20-C32 HydrophobicContact CZ-CB 4.05Å; C32-L34 PolarHBondContact O-N 2.85Å; C32-C35 VanDerWaalsContact CB-SG 3.57Å; C32-C35 VanDerWaalsContact SG-SG 3.68Å; C32-E36 WeakPolarHBondContact O-CA 3.26Å; C32-E36 PolarHBondContact O-N 3.39Å; C32-R37 PolarHBondContact N-O 3.18Å; C32-F39 HydrophobicContact CB-CE2 4.24Å; C32-H52 PolarHBondContact SG-NE2 3.09Å
33L84.2Confident70.7Confident3 Ų359.8 Ų59.82%0.01631%0.313CS..THydrogen-bonded Turntrans-68.4-13179.6-65174.7000113.3L16 G19 A21 V31 Y68 L71 R72 V75L16-L33 HydrophobicContact CD1-CD1 3.73Å; G19-L33 WeakPolarHBondContact O-CB 3.41Å; G19-L33 PolarHBondContact O-N 3.18Å; A21-L33 HydrophobicContact CB-CD1 4.2Å; A21-L33 HydrophobicContact CB-CD2 3.62Å; A21-L33 HydrophobicContact CB-CG 4.05Å; V31-L33 PolarHBondContact O-N 3.3Å; L33-Y68 WeakPolarHBondContact CD1-O 3.28Å; L33-L71 HydrophobicContact CB-CD2 3.77Å; L33-L71 HydrophobicContact CB-CG 4Å; L33-L71 WeakPolarHBondContact O-CD2 3.46Å; L33-R72 HydrophobicContact CD1-CB 3.92Å; L33-R72 HydrophobicContact CD2-CB 4.27Å; L33-V75 HydrophobicContact CD2-CB 4.05Å; L33-V75 HydrophobicContact CD2-CG1 4.15Å; L33-V75 HydrophobicContact CD2-CG2 4.46Å
34L81.7Confident70.8Confident33 Ų3358.8 Ų58.817%0.17331%0.308CS..THydrogen-bonded Turntrans-96.5-41-176.5-65170.7000113.5C32 L53 H57 M60 Y67 Y68 L71C32-L34 PolarHBondContact O-N 2.85Å; L34-L53 HydrophobicContact CD1-CD1 3.6Å; L34-H57 HydrophobicContact CD1-CB 3.62Å; L34-M60 HydrophobicContact CD1-CB 3.71Å; L34-M60 HydrophobicContact CD1-CG 4.28Å; L34-M60 HydrophobicContact CD2-CB 4.2Å; L34-M60 HydrophobicContact CD2-CG 4.12Å; L34-Y67 HydrophobicContact CD2-CE1 4.15Å; L34-Y68 HydrophobicContact CD1-CE1 4.02Å; L34-Y68 HydrophobicContact CD2-CE1 4.27Å; L34-Y68 HydrophobicContact CG-CE1 4.14Å; L34-L71 HydrophobicContact CD2-CD2 3.72Å; L34-L71 HydrophobicContact CG-CD2 4.37Å
35C79.2Confident71.4Confident29 Ų2963.4 Ų63.420%0.19633%0.325CS..THydrogen-bonded Turntrans-115.44.3177.857.70000113.8C32 R37 H52 H57C32-C35 VanDerWaalsContact CB-SG 3.57Å; C32-C35 VanDerWaalsContact SG-SG 3.68Å; C35-R37 PolarHBondContact O-N 3.31Å; C35-H52 VanDerWaalsContact SG-CE1 3.59Å; C35-H52 PolarHBondContact SG-NE2 2.79Å; C35-H57 PolarHBondContact SG-NE2 2.95Å; C35-H57 VanDerWaalsContact SG-NE2 3.39Å
36E73.2Confident72.3Confident123 Ų12363.7 Ų63.758%0.57532%0.317SS*.  trans58.512.5178.3-56.5-178.1-178.500114.8V31 C32 V38 V75V31-E36 WeakPolarHBondContact CG2-O 3.37Å; C32-E36 WeakPolarHBondContact O-CA 3.26Å; C32-E36 PolarHBondContact O-N 3.39Å; E36-V38 PolarHBondContact O-N 2.86Å; E36-V75 HydrophobicContact CG-CG1 4.45Å
37R73.3Confident73.4Confident141 Ų14164.2 Ų64.253%0.53232%0.323SS..  trans-70.9125.5177.9-170.2172.4-174.6163.94.8110.9V31 C32 C35 F39V31-R37 WeakPolarHBondContact CA-O 3.14Å; C32-R37 PolarHBondContact N-O 3.18Å; C35-R37 PolarHBondContact O-N 3.31Å; R37-F39 HydrophobicContact CB-CE2 3.96Å; R37-F39 HydrophobicContact CG-CE2 3.99Å; R37-F39 HydrophobicContact CG-CZ 4.33Å; R37-F39 VanDerWaalsContact O-CD2 3.24Å; R37-F39 WeakPolarHBondContact O-CD2 3.29Å; R37-F39 VanDerWaalsContact O-CE2 3.28Å; R37-F39 WeakPolarHBondContact O-CE2 3.2Å
38V74.9Confident74.5Confident66 Ų6661.8 Ų61.840%0.431%0.307SS..BIsolated β-bridgetrans-83.8134.7173.5-174.80000110.1M23 L29 E36M23-V38 HydrophobicContact CE-CG2 4.28Å; M23-V38 HydrophobicContact CG-CG1 4.3Å; M23-V38 HydrophobicContact CG-CG2 3.99Å; M23-V38 HydrophobicContact SD-CG2 3.98Å; L29-V38 HydrophobicContact CB-CG1 3.7Å; L29-V38 HydrophobicContact CD1-CG1 4.04Å; L29-V38 HydrophobicContact CG-CG1 4.38Å; E36-V38 PolarHBondContact O-N 2.86Å
39F66.5Low75.3Confident32 Ų3257.5 Ų57.514%0.1429%0.287CS..  trans-112.4145.5177.3-63.6-112.2000110.8F20 L29 P30 C32 R37 H52F20-F39 HydrophobicContact CD1-CD2 4.45Å; F20-F39 AromaticContact CE1-CD2 3.64Å; F20-F39 HydrophobicContact CE1-CD2 3.64Å; F20-F39 AromaticContact CE1-CE2 3.46Å; F20-F39 HydrophobicContact CE1-CE2 3.46Å; F20-F39 VanDerWaalsContact CE1-CE2 3.46Å; F20-F39 HydrophobicContact CE1-CG 4.45Å; F20-F39 HydrophobicContact CE1-CZ 4.09Å; F20-F39 HydrophobicContact CZ-CE2 4.04Å; F20-F39 HydrophobicContact CZ-CZ 4.24Å; L29-F39 WeakPolarHBondContact CD2-O 3.42Å; P30-F39 WeakPolarHBondContact CD-O 3.36Å; P30-F39 HydrophobicContact CG-CB 4Å; P30-F39 PolarHBondContact O-N 3.41Å; C32-F39 HydrophobicContact CB-CE2 4.24Å; R37-F39 HydrophobicContact CB-CE2 3.96Å; R37-F39 HydrophobicContact CG-CE2 3.99Å; R37-F39 HydrophobicContact CG-CZ 4.33Å; R37-F39 VanDerWaalsContact O-CD2 3.24Å; R37-F39 WeakPolarHBondContact O-CD2 3.29Å; R37-F39 VanDerWaalsContact O-CE2 3.28Å; R37-F39 WeakPolarHBondContact O-CE2 3.2Å; F39-H52 HydrophobicContact CZ-CB 4.39Å; F39-H52 AromaticContact CZ-CE1 3.68Å; F39-H52 AromaticContact CZ-CG 3.73Å; F39-H52 AromaticContact CZ-ND1 3.51Å; F39-H52 AromaticContact CZ-NE2 4Å
40L67.2Low76.1Confident125 Ų12560.6 Ų60.665%0.65430%0.298SS*.  trans-67.4153.7170.4-60.8174000110.9E42 S43L40-E42 PolarHBondContact O-N 3.41Å; L40-S43 WeakPolarHBondContact O-CA 3.42Å; L40-S43 WeakPolarHBondContact O-CB 3.23Å; L40-S43 PolarHBondContact O-N 2.83Å
41N64Low76.7Confident48 Ų4866.5 Ų66.526%0.25732%0.321SS..G310 helixtrans-51.9-34.9178.8-70.33.7000113.4C8 H28 S43 M44C8-N41 PolarHBondContact SG-ND2 3.23Å; H28-N41 PolarHBondContact O-OD1 3.12Å; N41-S43 PolarHBondContact O-N 3.04Å; N41-S43 VanDerWaalsContact O-N 3.14Å; N41-M44 HydrophobicContact CB-SD 4.12Å; N41-M44 VanDerWaalsContact O-CB 3.28Å; N41-M44 WeakPolarHBondContact O-CB 3.21Å; N41-M44 PolarHBondContact O-N 3.42Å; N41-M44 VanDerWaalsContact O-N 3.09Å
42E64.1Low77.1Confident151 Ų15167.3 Ų67.371%0.70632%0.324SS*.G310 helixtrans-63.6-20.4178.9-57.4-166.6155.300113.4L40 R48L40-E42 PolarHBondContact O-N 3.41Å; E42-R48 PolarHBondContact O-NH1 3.17Å; E42-R48 VanDerWaalsContact O-NH1 3.1Å
43S62.6Low77.2Confident32 Ų3267.6 Ų67.622%0.22433%0.326CS..G310 helixtrans-94.3-3.5178.2-69.90000114L40 N41 K45 R48L40-S43 WeakPolarHBondContact O-CA 3.42Å; L40-S43 WeakPolarHBondContact O-CB 3.23Å; L40-S43 PolarHBondContact O-N 2.83Å; N41-S43 PolarHBondContact O-N 3.04Å; N41-S43 VanDerWaalsContact O-N 3.14Å; S43-K45 PolarHBondContact O-N 2.99Å; S43-R48 WeakPolarHBondContact O-CB 2.78Å; S43-R48 PolarHBondContact OG-NH1 3.32Å
44M68.8Low77.4Confident10 Ų1071.6 Ų71.65%0.04935%0.346CS..  trans-68.714.1177.7-7417268.300115.3G9 Y11 Y15 P30 N41G9-M44 WeakPolarHBondContact O-CE 3.22Å; Y11-M44 VanDerWaalsContact CA-CE 3.42Å; Y15-M44 HydrophobicContact CE2-CE 4.01Å; Y15-M44 PolarHBondContact OH-O 2.89Å; P30-M44 HydrophobicContact CB-CG 4.49Å; P30-M44 HydrophobicContact CG-CG 3.51Å; P30-M44 HydrophobicContact CG-SD 4.35Å; N41-M44 HydrophobicContact CB-SD 4.12Å; N41-M44 VanDerWaalsContact O-CB 3.28Å; N41-M44 WeakPolarHBondContact O-CB 3.21Å; N41-M44 PolarHBondContact O-N 3.42Å; N41-M44 VanDerWaalsContact O-N 3.09Å
45K78.1Confident77.6Confident124 Ų12479.2 Ų79.254%0.53937%0.373SS..  trans-72.6131.7175.9-66.5-174.4-179.8-177.90109.1S43 S47 R48 L49S43-K45 PolarHBondContact O-N 2.99Å; K45-S47 PolarHBondContact O-N 3.4Å; K45-R48 HydrophobicContact CB-CG 4.3Å; K45-R48 WeakPolarHBondContact O-CA 3.22Å; K45-R48 WeakPolarHBondContact O-CB 3.46Å; K45-R48 PolarHBondContact O-N 2.73Å; K45-L49 PolarHBondContact O-N 2.84Å; K45-L49 VanDerWaalsContact O-N 3.12Å
46P82.7Confident77.8Confident64 Ų6483 Ų8342%0.41638%0.383SS..Hα-helixtrans-50.8-37.3179.9-26.329.5000113.7Y15 F18 R48 L49 K50Y15-P46 HydrophobicContact CE1-CG 3.93Å; F18-P46 HydrophobicContact CE2-CB 4.08Å; P46-R48 VanDerWaalsContact C-N 3.32Å; P46-R48 PolarHBondContact O-N 2.68Å; P46-L49 PolarHBondContact O-N 2.76Å; P46-K50 VanDerWaalsContact O-CB 3.26Å; P46-K50 WeakPolarHBondContact O-CB 3.39Å; P46-K50 PolarHBondContact O-N 3.26Å
47S84.3Confident78.5Confident70 Ų7077.9 Ų77.949%0.4936%0.359SS..Hα-helixtrans-66.4-29.9177.760.40000113.9K45 R51K45-S47 PolarHBondContact O-N 3.4Å; S47-R51 WeakPolarHBondContact O-CB 3.33Å; S47-R51 PolarHBondContact O-N 2.72Å
48R84Confident79Confident105 Ų10574.6 Ų74.640%0.39636%0.356SS..Hα-helixtrans-77.9-43.4174.8-70.5-175.3174.3-175-0.3111E42 S43 K45 P46 R51 H52E42-R48 PolarHBondContact O-NH1 3.17Å; E42-R48 VanDerWaalsContact O-NH1 3.1Å; S43-R48 WeakPolarHBondContact O-CB 2.78Å; S43-R48 PolarHBondContact OG-NH1 3.32Å; K45-R48 HydrophobicContact CB-CG 4.3Å; K45-R48 WeakPolarHBondContact O-CA 3.22Å; K45-R48 WeakPolarHBondContact O-CB 3.46Å; K45-R48 PolarHBondContact O-N 2.73Å; P46-R48 VanDerWaalsContact C-N 3.32Å; P46-R48 PolarHBondContact O-N 2.68Å; R48-R51 PolarHBondContact O-N 2.85Å; R48-H52 WeakPolarHBondContact O-CB 3.28Å; R48-H52 PolarHBondContact O-N 2.84Å
49L85.6Confident79.3Confident0 Ų078.3 Ų78.30%037%0.374CS..Hα-helixtrans-61.9-49.1176.5-58.3-177.1000111.2Y15 F18 F20 K45 P46 R51 H52 L53Y15-L49 HydrophobicContact CD1-CD1 3.97Å; Y15-L49 HydrophobicContact CD2-CD1 3.85Å; Y15-L49 HydrophobicContact CE1-CD1 4.42Å; Y15-L49 HydrophobicContact CE2-CD1 4.29Å; Y15-L49 HydrophobicContact CG-CD1 3.67Å; F18-L49 HydrophobicContact CB-CB 4.15Å; F18-L49 HydrophobicContact CD2-CB 4.32Å; F18-L49 HydrophobicContact CG-CB 4.4Å; F20-L49 HydrophobicContact CD1-CD2 3.84Å; F20-L49 HydrophobicContact CD2-CB 3.86Å; F20-L49 HydrophobicContact CD2-CD1 4.29Å; F20-L49 HydrophobicContact CD2-CD2 4.06Å; F20-L49 HydrophobicContact CD2-CG 4.28Å; F20-L49 HydrophobicContact CE1-CD2 3.6Å; F20-L49 HydrophobicContact CE2-CB 3.62Å; F20-L49 HydrophobicContact CE2-CD2 3.86Å; F20-L49 HydrophobicContact CE2-CG 4.23Å; F20-L49 HydrophobicContact CG-CD1 4.34Å; F20-L49 HydrophobicContact CG-CD2 4.05Å; F20-L49 HydrophobicContact CZ-CB 4.17Å; F20-L49 HydrophobicContact CZ-CD2 3.6Å; F20-L49 HydrophobicContact CZ-CG 4.44Å; K45-L49 PolarHBondContact O-N 2.84Å; K45-L49 VanDerWaalsContact O-N 3.12Å; P46-L49 PolarHBondContact O-N 2.76Å; L49-R51 VanDerWaalsContact C-N 3.33Å; L49-R51 PolarHBondContact O-N 3.02Å; L49-H52 WeakPolarHBondContact O-CB 3.33Å; L49-H52 PolarHBondContact O-N 3.41Å; L49-L53 PolarHBondContact O-N 3.43Å
50K87.9Confident80.1Confident115 Ų11580 Ų8050%0.538%0.383SS..Hα-helixtrans-60.3-40.7174.9-172.1175-175.9174.50112.3F18 P46 L53 I54F18-K50 HydrophobicContact CD1-CB 3.82Å; F18-K50 HydrophobicContact CD1-CG 4.11Å; F18-K50 HydrophobicContact CE1-CB 3.86Å; F18-K50 HydrophobicContact CE1-CD 3.99Å; F18-K50 HydrophobicContact CE1-CG 4.02Å; P46-K50 VanDerWaalsContact O-CB 3.26Å; P46-K50 WeakPolarHBondContact O-CB 3.39Å; P46-K50 PolarHBondContact O-N 3.26Å; K50-L53 PolarHBondContact O-N 3.39Å; K50-I54 HydrophobicContact CG-CD1 3.9Å; K50-I54 WeakPolarHBondContact O-CG1 3.43Å; K50-I54 PolarHBondContact O-N 2.95Å
51R87.4Confident80.7Confident124 Ų12476 Ų7647%0.46837%0.365SS..Hα-helixtrans-65.7-39.5176.3-175.4-175.5-56.1138.53.7111.8S47 R48 L49 R55S47-R51 WeakPolarHBondContact O-CB 3.33Å; S47-R51 PolarHBondContact O-N 2.72Å; R48-R51 PolarHBondContact O-N 2.85Å; L49-R51 VanDerWaalsContact C-N 3.33Å; L49-R51 PolarHBondContact O-N 3.02Å; R51-R55 HydrophobicContact CG-CG 4.22Å; R51-R55 VanDerWaalsContact O-CB 3.24Å; R51-R55 WeakPolarHBondContact O-CB 3.26Å; R51-R55 VanDerWaalsContact O-CG 3.3Å; R51-R55 WeakPolarHBondContact O-CG 3.33Å; R51-R55 PolarHBondContact O-N 2.99Å
52H87.1Confident81.6Confident18 Ų1881.1 Ų81.18%0.08339%0.393CS..Hα-helixtrans-60.9-51173.7172.982000110.4F20 C32 C35 F39 R48 L49 I54 R55 R56 H57F20-H52 HydrophobicContact CZ-CB 4.23Å; F20-H52 AromaticContact CZ-CD2 3.45Å; F20-H52 VanDerWaalsContact CZ-CD2 3.45Å; F20-H52 WeakPolarHBondContact CZ-CD2 3.33Å; C32-H52 PolarHBondContact SG-NE2 3.09Å; C35-H52 VanDerWaalsContact SG-CE1 3.59Å; C35-H52 PolarHBondContact SG-NE2 2.79Å; F39-H52 HydrophobicContact CZ-CB 4.39Å; F39-H52 AromaticContact CZ-CE1 3.68Å; F39-H52 AromaticContact CZ-CG 3.73Å; F39-H52 AromaticContact CZ-ND1 3.51Å; F39-H52 AromaticContact CZ-NE2 4Å; R48-H52 WeakPolarHBondContact O-CB 3.28Å; R48-H52 PolarHBondContact O-N 2.84Å; L49-H52 WeakPolarHBondContact O-CB 3.33Å; L49-H52 PolarHBondContact O-N 3.41Å; H52-I54 PolarHBondContact O-N 3.12Å; H52-R55 PolarHBondContact O-N 3.06Å; H52-R56 WeakPolarHBondContact O-CB 3.17Å; H52-R56 PolarHBondContact O-N 2.95Å; H52-H57 AromaticContact NE2-CD2 3.87Å; H52-H57 AromaticContact NE2-NE2 3.57Å
53L85.4Confident82.7Confident6 Ų678.8 Ų78.83%0.03138%0.38CS..Hα-helixtrans-54.6-49.3177.9179.766.5000111.9L34 L49 K50 H57 Y68L34-L53 HydrophobicContact CD1-CD1 3.6Å; L49-L53 PolarHBondContact O-N 3.43Å; K50-L53 PolarHBondContact O-N 3.39Å; L53-H57 HydrophobicContact CD1-CB 4.13Å; L53-H57 CarbonylContact O-C 3.53Å; L53-H57 VanDerWaalsContact O-CA 3.24Å; L53-H57 WeakPolarHBondContact O-CA 3.3Å; L53-H57 WeakPolarHBondContact O-CB 3.24Å; L53-H57 PolarHBondContact O-N 2.96Å; L53-H57 VanDerWaalsContact O-O 3.1Å; L53-Y68 VanDerWaalsContact CD1-OH 3.3Å; L53-Y68 WeakPolarHBondContact CD1-OH 3.45Å
54I87Confident83.9Confident87 Ų8781.9 Ų81.945%0.44639%0.394SS..Hα-helixtrans-67.8-40-179-66.3167.8000112K50 H52K50-I54 HydrophobicContact CG-CD1 3.9Å; K50-I54 WeakPolarHBondContact O-CG1 3.43Å; K50-I54 PolarHBondContact O-N 2.95Å; H52-I54 PolarHBondContact O-N 3.12Å
55R85.7Confident84.8Confident194 Ų19483.2 Ų83.273%0.73240%0.403SS*.Hα-helixtrans-79.6-37.6-175.2-74.5-171.9175.2-167.6-4.6113.7R51 H52R51-R55 HydrophobicContact CG-CG 4.22Å; R51-R55 VanDerWaalsContact O-CB 3.24Å; R51-R55 WeakPolarHBondContact O-CB 3.26Å; R51-R55 VanDerWaalsContact O-CG 3.3Å; R51-R55 WeakPolarHBondContact O-CG 3.33Å; R51-R55 PolarHBondContact O-N 2.99Å; H52-R55 PolarHBondContact O-N 3.06Å
56R83.8Confident85.3Confident109 Ų10980.6 Ų80.641%0.41140%0.4SS..Hα-helixtrans-98.3-28.3-174.5-64.7-71.8-78.5-164-12.3112.1H52 P58 E146H52-R56 WeakPolarHBondContact O-CB 3.17Å; H52-R56 PolarHBondContact O-N 2.95Å; R56-P58 VanDerWaalsContact C-CD 3.46Å; R56-E146 IonicContact CZ-OE1 3.84Å; R56-E146 VanDerWaalsContact CZ-OE1 3.28Å; R56-E146 IonicContact NH1-OE1 3.28Å; R56-E146 PolarHBondContact NH1-OE1 3.24Å; R56-E146 VanDerWaalsContact NH1-OE1 3.07Å; R56-E146 VanDerWaalsContact NH2-CD 3.26Å; R56-E146 IonicContact NH2-OE1 3.17Å; R56-E146 PolarHBondContact NH2-OE1 2.99Å; R56-E146 IonicContact NH2-OE2 3.07Å; R56-E146 PolarHBondContact NH2-OE2 3.36Å
57H87.9Confident85.6Confident15 Ų1581.3 Ų81.37%0.06940%0.395CS..  trans-132.157-178.4-49-66.5000111.9L34 C35 H52 L53 N59 M60 S61L34-H57 HydrophobicContact CD1-CB 3.62Å; C35-H57 PolarHBondContact SG-NE2 2.95Å; C35-H57 VanDerWaalsContact SG-NE2 3.39Å; H52-H57 AromaticContact NE2-CD2 3.87Å; H52-H57 AromaticContact NE2-NE2 3.57Å; L53-H57 HydrophobicContact CD1-CB 4.13Å; L53-H57 CarbonylContact O-C 3.53Å; L53-H57 VanDerWaalsContact O-CA 3.24Å; L53-H57 WeakPolarHBondContact O-CA 3.3Å; L53-H57 WeakPolarHBondContact O-CB 3.24Å; L53-H57 PolarHBondContact O-N 2.96Å; L53-H57 VanDerWaalsContact O-O 3.1Å; H57-N59 PolarHBondContact O-N 3.41Å; H57-M60 HydrophobicContact CB-CB 4.11Å; H57-M60 HydrophobicContact CB-CG 4.47Å; H57-M60 PolarHBondContact O-N 2.93Å; H57-S61 PolarHBondContact O-N 3.45Å; H57-S61 VanDerWaalsContact O-N 3.14Å
58P83.8Confident85.8Confident72 Ų7278 Ų7847%0.46837%0.372SS..G310 helixtrans-55.1-41.1-17722.8-33.1000111.8R56 M60 S61R56-P58 VanDerWaalsContact C-CD 3.46Å; P58-M60 VanDerWaalsContact C-N 3.25Å; P58-M60 PolarHBondContact O-N 3.25Å; P58-S61 PolarHBondContact O-N 3.28Å; P58-S61 PolarHBondContact O-OG 3.12Å
59N81.5Confident86Confident144 Ų14479.8 Ų79.877%0.7738%0.379SS*.G310 helixtrans-69.5-19.2-178.8-62-12.2000113.9H57H57-N59 PolarHBondContact O-N 3.41Å
60M84Confident86.1Confident68 Ų6882.5 Ų82.534%0.33540%0.401SS..G310 helixtrans-104-6.9-179.2-56.7-58.7-17800112.6L34 H57 P58 N62 K63 Y68L34-M60 HydrophobicContact CD1-CB 3.71Å; L34-M60 HydrophobicContact CD1-CG 4.28Å; L34-M60 HydrophobicContact CD2-CB 4.2Å; L34-M60 HydrophobicContact CD2-CG 4.12Å; H57-M60 HydrophobicContact CB-CB 4.11Å; H57-M60 HydrophobicContact CB-CG 4.47Å; H57-M60 PolarHBondContact O-N 2.93Å; P58-M60 VanDerWaalsContact C-N 3.25Å; P58-M60 PolarHBondContact O-N 3.25Å; M60-N62 PolarHBondContact O-N 3.28Å; M60-N62 VanDerWaalsContact O-N 3.14Å; M60-K63 HydrophobicContact CB-CG 4.48Å; M60-K63 WeakPolarHBondContact O-CB 3.48Å; M60-K63 WeakPolarHBondContact O-CG 3.37Å; M60-K63 PolarHBondContact O-N 3.46Å; M60-K63 VanDerWaalsContact O-N 3.16Å; M60-K63 HydrophobicContact SD-CG 4.45Å; M60-Y68 PolarHBondContact O-OH 2.86Å
61S79.6Confident85.9Confident39 Ų3978.6 Ų78.627%0.27339%0.385SS..THydrogen-bonded Turntrans-65.4-17.5-174.9660000115.2H57 P58H57-S61 PolarHBondContact O-N 3.45Å; H57-S61 VanDerWaalsContact O-N 3.14Å; P58-S61 PolarHBondContact O-N 3.28Å; P58-S61 PolarHBondContact O-OG 3.12Å
62N81.9Confident85.8Confident157 Ų15777.5 Ų77.584%0.8438%0.381SS*.THydrogen-bonded Turntrans-97.74.7179.2-68.7-24000113.7M60M60-N62 PolarHBondContact O-N 3.28Å; M60-N62 VanDerWaalsContact O-N 3.14Å
63K88.4Confident85.4Confident101 Ų10181.4 Ų81.444%0.43940%0.399SS..  trans-72.6147.1179.2-63.9-67.9-177.4179.20110.8M60 Y67 Y68M60-K63 HydrophobicContact CB-CG 4.48Å; M60-K63 WeakPolarHBondContact O-CB 3.48Å; M60-K63 WeakPolarHBondContact O-CG 3.37Å; M60-K63 PolarHBondContact O-N 3.46Å; M60-K63 VanDerWaalsContact O-N 3.16Å; M60-K63 HydrophobicContact SD-CG 4.45Å; K63-Y67 HydrophobicContact CB-CD1 3.59Å; K63-Y67 HydrophobicContact CB-CE1 4.27Å; K63-Y67 HydrophobicContact CB-CG 3.94Å; K63-Y67 HydrophobicContact CD-CD1 4.38Å; K63-Y67 HydrophobicContact CD-CD2 4.36Å; K63-Y67 HydrophobicContact CD-CG 4.22Å; K63-Y67 HydrophobicContact CG-CD1 3.81Å; K63-Y67 HydrophobicContact CG-CE1 4.05Å; K63-Y67 HydrophobicContact CG-CG 4.14Å; K63-Y68 HydrophobicContact CB-CE2 4.14Å
64D87.5Confident84.8Confident97 Ų9788.8 Ų88.852%0.51943%0.431SS..  trans-77.8171.317863.246.2000112.7S66 Y67 Y68D64-S66 VanDerWaalsContact C-N 3.25Å; D64-S66 PolarHBondContact O-N 2.83Å; D64-S66 WeakPolarHBondContact OD1-CA 3.37Å; D64-S66 VanDerWaalsContact OD1-CB 3.29Å; D64-S66 WeakPolarHBondContact OD1-CB 3.45Å; D64-S66 PolarHBondContact OD1-N 3.48Å; D64-S66 PolarHBondContact OD1-OG 3.42Å; D64-S66 PolarHBondContact OD2-OG 2.97Å; D64-Y67 WeakPolarHBondContact O-CB 3.39Å; D64-Y67 PolarHBondContact O-N 3.23Å; D64-Y67 PolarHBondContact OD1-N 2.95Å; D64-Y68 WeakPolarHBondContact O-CD2 3.2Å; D64-Y68 PolarHBondContact O-N 3.17Å
65V87.5Confident83.9Confident38 Ų3885.3 Ų85.323%0.2341%0.414CS..Hα-helixtrans-65-29.3179.3-178.20000112.1L16 H17 Y67 Y68 R69L16-V65 HydrophobicContact CD2-CG1 3.94Å; L16-V65 HydrophobicContact CG-CG1 4.39Å; H17-V65 WeakPolarHBondContact CD2-CG2 3.48Å; H17-V65 VanDerWaalsContact NE2-CG2 3.31Å; H17-V65 WeakPolarHBondContact NE2-CG2 3.24Å; V65-Y67 VanDerWaalsContact C-N 3.35Å; V65-Y68 PolarHBondContact O-N 2.64Å; V65-R69 WeakPolarHBondContact O-CB 3.28Å; V65-R69 PolarHBondContact O-N 2.97Å
66S88.4Confident83Confident70 Ų7077.1 Ų77.149%0.4939%0.385SS..Hα-helixtrans-63.7-40.1177.117.90000111.8D64 R69 A70D64-S66 VanDerWaalsContact C-N 3.25Å; D64-S66 PolarHBondContact O-N 2.83Å; D64-S66 WeakPolarHBondContact OD1-CA 3.37Å; D64-S66 VanDerWaalsContact OD1-CB 3.29Å; D64-S66 WeakPolarHBondContact OD1-CB 3.45Å; D64-S66 PolarHBondContact OD1-N 3.48Å; D64-S66 PolarHBondContact OD1-OG 3.42Å; D64-S66 PolarHBondContact OD2-OG 2.97Å; S66-R69 PolarHBondContact O-N 3.19Å; S66-A70 PolarHBondContact O-N 3.34Å
67Y89.2Confident82.2Confident79 Ų7976 Ų7631%0.3139%0.391SS..Hα-helixtrans-58.6-50.8173.8174.2-96.7000111.4L34 K63 D64 V65 R69 A70 L71L34-Y67 HydrophobicContact CD2-CE1 4.15Å; K63-Y67 HydrophobicContact CB-CD1 3.59Å; K63-Y67 HydrophobicContact CB-CE1 4.27Å; K63-Y67 HydrophobicContact CB-CG 3.94Å; K63-Y67 HydrophobicContact CD-CD1 4.38Å; K63-Y67 HydrophobicContact CD-CD2 4.36Å; K63-Y67 HydrophobicContact CD-CG 4.22Å; K63-Y67 HydrophobicContact CG-CD1 3.81Å; K63-Y67 HydrophobicContact CG-CE1 4.05Å; K63-Y67 HydrophobicContact CG-CG 4.14Å; D64-Y67 WeakPolarHBondContact O-CB 3.39Å; D64-Y67 PolarHBondContact O-N 3.23Å; D64-Y67 PolarHBondContact OD1-N 2.95Å; V65-Y67 VanDerWaalsContact C-N 3.35Å; Y67-R69 VanDerWaalsContact C-N 3.3Å; Y67-R69 PolarHBondContact O-N 2.77Å; Y67-A70 PolarHBondContact O-N 2.89Å; Y67-L71 HydrophobicContact CE1-CD2 4.12Å; Y67-L71 PolarHBondContact O-N 3.07Å
68Y87.9Confident80.6Confident1 Ų177.1 Ų77.10%0.00441%0.406CS..Hα-helixtrans-67.2-29.4178.8-66.8-61.5000113.2L16 L33 L34 L53 M60 K63 D64 V65 L71 R72L16-Y68 WeakPolarHBondContact O-CB 3.42Å; L16-Y68 WeakPolarHBondContact O-CD2 3.42Å; L33-Y68 WeakPolarHBondContact CD1-O 3.28Å; L34-Y68 HydrophobicContact CD1-CE1 4.02Å; L34-Y68 HydrophobicContact CD2-CE1 4.27Å; L34-Y68 HydrophobicContact CG-CE1 4.14Å; L53-Y68 VanDerWaalsContact CD1-OH 3.3Å; L53-Y68 WeakPolarHBondContact CD1-OH 3.45Å; M60-Y68 PolarHBondContact O-OH 2.86Å; K63-Y68 HydrophobicContact CB-CE2 4.14Å; D64-Y68 WeakPolarHBondContact O-CD2 3.2Å; D64-Y68 PolarHBondContact O-N 3.17Å; V65-Y68 PolarHBondContact O-N 2.64Å; Y68-L71 PolarHBondContact O-N 3.04Å; Y68-R72 VanDerWaalsContact O-CB 3.28Å; Y68-R72 WeakPolarHBondContact O-CB 3.45Å; Y68-R72 PolarHBondContact O-N 2.68Å
69R88.3Confident79.3Confident142 Ų14275 Ų7554%0.53639%0.391SS..Hα-helixtrans-65.4-44.5172.9-170.6-179.6-64.7141.61.1111.4L16 V65 S66 Y67 L71 R72 E73L16-R69 HydrophobicContact CD2-CB 4.41Å; V65-R69 WeakPolarHBondContact O-CB 3.28Å; V65-R69 PolarHBondContact O-N 2.97Å; S66-R69 PolarHBondContact O-N 3.19Å; Y67-R69 VanDerWaalsContact C-N 3.3Å; Y67-R69 PolarHBondContact O-N 2.77Å; R69-L71 VanDerWaalsContact C-N 3.35Å; R69-R72 WeakPolarHBondContact O-CB 2.89Å; R69-R72 PolarHBondContact O-N 3.18Å; R69-E73 PolarHBondContact O-N 3.4Å
70A87Confident78.1Confident56 Ų5670.3 Ų70.346%0.46337%0.37SS..Hα-helixtrans-65-39.9175.900000111.9S66 Y67 E73 K74S66-A70 PolarHBondContact O-N 3.34Å; Y67-A70 PolarHBondContact O-N 2.89Å; A70-E73 PolarHBondContact O-N 3.42Å; A70-K74 PolarHBondContact O-N 3.37Å
71L85.1Confident76.4Confident34 Ų3470 Ų7018%0.17838%0.378CS..Hα-helixtrans-66.9-39.4176.9-168.359.4000111.9L33 L34 Y67 Y68 R69 E73 K74 V75L33-L71 HydrophobicContact CB-CD2 3.77Å; L33-L71 HydrophobicContact CB-CG 4Å; L33-L71 WeakPolarHBondContact O-CD2 3.46Å; L34-L71 HydrophobicContact CD2-CD2 3.72Å; L34-L71 HydrophobicContact CG-CD2 4.37Å; Y67-L71 HydrophobicContact CE1-CD2 4.12Å; Y67-L71 PolarHBondContact O-N 3.07Å; Y68-L71 PolarHBondContact O-N 3.04Å; R69-L71 VanDerWaalsContact C-N 3.35Å; L71-E73 PolarHBondContact O-N 3.47Å; L71-K74 PolarHBondContact O-N 2.93Å; L71-V75 HydrophobicContact CD1-CG2 4.15Å; L71-V75 HydrophobicContact CG-CG2 4.19Å; L71-V75 WeakPolarHBondContact O-CB 3.42Å; L71-V75 WeakPolarHBondContact O-CG2 3.47Å; L71-V75 PolarHBondContact O-N 3.44Å
72R85.3Confident74.8Confident100 Ų10071.4 Ų71.438%0.37739%0.385SS..Hα-helixtrans-55.9-48.4172.9177-172.9171.6-98.61.5111.3L16 A21 L33 Y68 R69 K74 V75 V76L16-R72 HydrophobicContact CD1-CB 4.38Å; A21-R72 HydrophobicContact CB-CG 4.14Å; L33-R72 HydrophobicContact CD1-CB 3.92Å; L33-R72 HydrophobicContact CD2-CB 4.27Å; Y68-R72 VanDerWaalsContact O-CB 3.28Å; Y68-R72 WeakPolarHBondContact O-CB 3.45Å; Y68-R72 PolarHBondContact O-N 2.68Å; R69-R72 WeakPolarHBondContact O-CB 2.89Å; R69-R72 PolarHBondContact O-N 3.18Å; R72-K74 VanDerWaalsContact C-N 3.27Å; R72-K74 PolarHBondContact O-N 3.27Å; R72-V75 PolarHBondContact O-N 3.47Å; R72-V76 HydrophobicContact CG-CB 4.45Å; R72-V76 HydrophobicContact CG-CG2 3.68Å; R72-V76 WeakPolarHBondContact O-CA 3.37Å; R72-V76 WeakPolarHBondContact O-CB 3.41Å; R72-V76 VanDerWaalsContact O-CG2 3.26Å; R72-V76 WeakPolarHBondContact O-CG2 3.2Å; R72-V76 PolarHBondContact O-N 3.13Å
73E78.4Confident73.3Confident100 Ų10065.6 Ų65.647%0.46735%0.353SS..Hα-helixtrans-60.1-39.7179.5-67.2-57.2133.200111.3R69 A70 L71 T77R69-E73 PolarHBondContact O-N 3.4Å; A70-E73 PolarHBondContact O-N 3.42Å; L71-E73 PolarHBondContact O-N 3.47Å; E73-T77 WeakPolarHBondContact O-CB 3.09Å; E73-T77 PolarHBondContact O-N 2.73Å; E73-T77 PolarHBondContact O-OG1 2.94Å
74K73.3Confident71.2Confident162 Ų16263.7 Ų63.770%0.70436%0.356SS*.Hα-helixtrans-66.8-53.4176.4-66.9-178.8178.5-173.30112.5A70 L71 R72 G78A70-K74 PolarHBondContact O-N 3.37Å; L71-K74 PolarHBondContact O-N 2.93Å; R72-K74 VanDerWaalsContact C-N 3.27Å; R72-K74 PolarHBondContact O-N 3.27Å; K74-G78 PolarHBondContact O-N 3.43Å
75V67.6Low68.8Low13 Ų1360.6 Ų60.68%0.07934%0.344CS..Hα-helixtrans-69.3-47.8-174.8174.90000111.3L33 E36 L71 R72 T77 G78 I79L33-V75 HydrophobicContact CD2-CB 4.05Å; L33-V75 HydrophobicContact CD2-CG1 4.15Å; L33-V75 HydrophobicContact CD2-CG2 4.46Å; E36-V75 HydrophobicContact CG-CG1 4.45Å; L71-V75 HydrophobicContact CD1-CG2 4.15Å; L71-V75 HydrophobicContact CG-CG2 4.19Å; L71-V75 WeakPolarHBondContact O-CB 3.42Å; L71-V75 WeakPolarHBondContact O-CG2 3.47Å; L71-V75 PolarHBondContact O-N 3.44Å; R72-V75 PolarHBondContact O-N 3.47Å; V75-T77 VanDerWaalsContact C-N 3.35Å; V75-T77 PolarHBondContact O-N 2.88Å; V75-G78 PolarHBondContact O-N 2.96Å; V75-I79 HydrophobicContact CG1-CD1 3.62Å; V75-I79 HydrophobicContact CG1-CG1 4.34Å; V75-I79 VanDerWaalsContact O-CG1 3.26Å; V75-I79 WeakPolarHBondContact O-CG1 3.46Å; V75-I79 PolarHBondContact O-N 3.39Å
76V67.1Low66.5Low22 Ų2263.7 Ų63.713%0.13336%0.356CS..Hα-helixtrans-68-35.1-178.9177.10000111.2A21 P24 R72 S80A21-V76 HydrophobicContact CB-CG2 4.31Å; P24-V76 HydrophobicContact CB-CG1 4.4Å; P24-V76 HydrophobicContact CG-CG1 3.95Å; R72-V76 HydrophobicContact CG-CB 4.45Å; R72-V76 HydrophobicContact CG-CG2 3.68Å; R72-V76 WeakPolarHBondContact O-CA 3.37Å; R72-V76 WeakPolarHBondContact O-CB 3.41Å; R72-V76 VanDerWaalsContact O-CG2 3.26Å; R72-V76 WeakPolarHBondContact O-CG2 3.2Å; R72-V76 PolarHBondContact O-N 3.13Å; V76-S80 WeakPolarHBondContact O-CB 3.29Å; V76-S80 PolarHBondContact O-N 3.18Å; V76-S80 PolarHBondContact O-OG 2.97Å
77T65.3Low64.3Low86 Ų8669.8 Ų69.853%0.52837%0.368SS..Hα-helixtrans-67.3-43.3173.7-57.50000111E73 V75 S80 A81E73-T77 WeakPolarHBondContact O-CB 3.09Å; E73-T77 PolarHBondContact O-N 2.73Å; E73-T77 PolarHBondContact O-OG1 2.94Å; V75-T77 VanDerWaalsContact C-N 3.35Å; V75-T77 PolarHBondContact O-N 2.88Å; T77-S80 PolarHBondContact O-N 3.47Å; T77-A81 WeakPolarHBondContact O-CB 3.06Å; T77-A81 PolarHBondContact O-N 3.35Å
78G55.7Low61.6Low38 Ų3871 Ų7139%0.39238%0.38SS..Hα-helixtrans-58.6-51.5174.400000112.2K74 V75 S80 A81 V82K74-G78 PolarHBondContact O-N 3.43Å; V75-G78 PolarHBondContact O-N 2.96Å; G78-S80 PolarHBondContact O-N 2.84Å; G78-A81 WeakPolarHBondContact O-CB 3.29Å; G78-A81 PolarHBondContact O-N 3.31Å; G78-V82 WeakPolarHBondContact O-CG2 3.43Å; G78-V82 PolarHBondContact O-N 3.28Å
79I56.4Low58.9Low27 Ų2775.2 Ų75.214%0.13841%0.408CS..Hα-helixtrans-64.8-39.6178.2-61.5170.1000110.8M23 P24 V75 A81 V82 L83M23-I79 HydrophobicContact CE-CD1 4.15Å; M23-I79 HydrophobicContact CE-CG2 3.55Å; M23-I79 HydrophobicContact SD-CD1 3.7Å; M23-I79 HydrophobicContact SD-CG2 4.27Å; P24-I79 HydrophobicContact CG-CB 4.01Å; P24-I79 HydrophobicContact CG-CG2 3.71Å; V75-I79 HydrophobicContact CG1-CD1 3.62Å; V75-I79 HydrophobicContact CG1-CG1 4.34Å; V75-I79 VanDerWaalsContact O-CG1 3.26Å; V75-I79 WeakPolarHBondContact O-CG1 3.46Å; V75-I79 PolarHBondContact O-N 3.39Å; I79-A81 VanDerWaalsContact C-N 3.29Å; I79-A81 PolarHBondContact O-N 3.04Å; I79-V82 PolarHBondContact O-N 3.41Å; I79-L83 HydrophobicContact CG2-CD1 3.86Å; I79-L83 HydrophobicContact CG2-CG 4.07Å; I79-L83 WeakPolarHBondContact O-CB 3.27Å; I79-L83 VanDerWaalsContact O-CG 3.26Å; I79-L83 WeakPolarHBondContact O-CG 3.39Å; I79-L83 PolarHBondContact O-N 2.8Å
80S56.8Low56.3Low47 Ų4771.2 Ų71.233%0.32941%0.411SS..Hα-helixtrans-63.9-35176.4-60.90000112P24 V76 T77 G78 A84P24-S80 WeakPolarHBondContact CB-OG 3.49Å; P24-S80 WeakPolarHBondContact CG-OG 3.35Å; V76-S80 WeakPolarHBondContact O-CB 3.29Å; V76-S80 PolarHBondContact O-N 3.18Å; V76-S80 PolarHBondContact O-OG 2.97Å; T77-S80 PolarHBondContact O-N 3.47Å; G78-S80 PolarHBondContact O-N 2.84Å; S80-A84 WeakPolarHBondContact O-CB 3.46Å; S80-A84 PolarHBondContact O-N 3.13Å
81A48.1Very low53.6Low61 Ų6170.8 Ų70.850%0.50440%0.402SS..Hα-helixtrans-65.6-42.1172.900000111.2T77 G78 I79 A84 A85T77-A81 WeakPolarHBondContact O-CB 3.06Å; T77-A81 PolarHBondContact O-N 3.35Å; G78-A81 WeakPolarHBondContact O-CB 3.29Å; G78-A81 PolarHBondContact O-N 3.31Å; I79-A81 VanDerWaalsContact C-N 3.29Å; I79-A81 PolarHBondContact O-N 3.04Å; A81-A84 PolarHBondContact O-N 3.34Å; A81-A85 WeakPolarHBondContact O-CB 3.03Å; A81-A85 PolarHBondContact O-N 3.05Å
82V45.4Very low51.1Low69 Ų6972.7 Ų72.742%0.41842%0.415SS..Hα-helixtrans-62.7-48.6174176.40000111.3G78 I79 A84 A85 E86 P93G78-V82 WeakPolarHBondContact O-CG2 3.43Å; G78-V82 PolarHBondContact O-N 3.28Å; I79-V82 PolarHBondContact O-N 3.41Å; V82-A84 VanDerWaalsContact C-N 3.33Å; V82-A84 PolarHBondContact O-N 2.05Å; V82-A85 CarbonylContact O-C 3.46Å; V82-A85 WeakPolarHBondContact O-CA 3.04Å; V82-A85 VanDerWaalsContact O-CB 3.25Å; V82-A85 WeakPolarHBondContact O-CB 3.18Å; V82-A85 PolarHBondContact O-N 3.01Å; V82-A85 VanDerWaalsContact O-N 3.08Å; V82-E86 WeakPolarHBondContact O-CG 3.32Å; V82-E86 PolarHBondContact O-N 2.87Å; V82-P93 HydrophobicContact CG1-CG 4.09Å
83L49.4Very low48.4Very low35 Ų3571.4 Ų71.418%0.18342%0.42CS..Hα-helixtrans-68.6-30.8178.8-64.7173.6000112.8P24 I79 A85 E86 R87P24-L83 VanDerWaalsContact C-CD1 3.42Å; P24-L83 HydrophobicContact CB-CD1 3.94Å; P24-L83 HydrophobicContact CG-CD1 3.86Å; P24-L83 WeakPolarHBondContact O-CD1 3.4Å; I79-L83 HydrophobicContact CG2-CD1 3.86Å; I79-L83 HydrophobicContact CG2-CG 4.07Å; I79-L83 WeakPolarHBondContact O-CB 3.27Å; I79-L83 VanDerWaalsContact O-CG 3.26Å; I79-L83 WeakPolarHBondContact O-CG 3.39Å; I79-L83 PolarHBondContact O-N 2.8Å; L83-A85 VanDerWaalsContact C-N 3.3Å; L83-E86 WeakPolarHBondContact CD2-OE2 3.38Å; L83-E86 WeakPolarHBondContact O-CB 3.45Å; L83-E86 PolarHBondContact O-N 3.42Å; L83-R87 PolarHBondContact O-N 2.86Å
84A45.5Very low45.9Very low60 Ų6069.5 Ų69.550%0.49642%0.417SS..Hα-helixtrans-68.3-35171.300000110.7S80 A81 V82 R87S80-A84 WeakPolarHBondContact O-CB 3.46Å; S80-A84 PolarHBondContact O-N 3.13Å; A81-A84 PolarHBondContact O-N 3.34Å; V82-A84 VanDerWaalsContact C-N 3.33Å; V82-A84 PolarHBondContact O-N 2.05Å; A84-R87 PolarHBondContact O-N 2.92Å
85A36.7Very low43.7Very low33 Ų3368 Ų6827%0.27342%0.421SS..Hα-helixtrans-65.1-40.4167.900000111.1A81 V82 L83 R87 N88 V91A81-A85 WeakPolarHBondContact O-CB 3.03Å; A81-A85 PolarHBondContact O-N 3.05Å; V82-A85 CarbonylContact O-C 3.46Å; V82-A85 WeakPolarHBondContact O-CA 3.04Å; V82-A85 VanDerWaalsContact O-CB 3.25Å; V82-A85 WeakPolarHBondContact O-CB 3.18Å; V82-A85 PolarHBondContact O-N 3.01Å; V82-A85 VanDerWaalsContact O-N 3.08Å; L83-A85 VanDerWaalsContact C-N 3.3Å; A85-R87 VanDerWaalsContact C-N 3.32Å; A85-R87 PolarHBondContact O-N 3.49Å; A85-N88 VanDerWaalsContact O-CB 3.28Å; A85-N88 WeakPolarHBondContact O-CB 3.45Å; A85-N88 PolarHBondContact O-N 3.4Å; A85-V91 HydrophobicContact CB-CB 4.38Å; A85-V91 HydrophobicContact CB-CG1 4.04Å; A85-V91 WeakPolarHBondContact O-CB 3.35Å
86E38.5Very low41.8Very low102 Ų10273.5 Ų73.548%0.47744%0.44SS..Hα-helixtrans-66-26.2175.6-68.8177.3-175.400114.4V82 L83V82-E86 WeakPolarHBondContact O-CG 3.32Å; V82-E86 PolarHBondContact O-N 2.87Å; L83-E86 WeakPolarHBondContact CD2-OE2 3.38Å; L83-E86 WeakPolarHBondContact O-CB 3.45Å; L83-E86 PolarHBondContact O-N 3.42Å
87R43Very low39.9Very low198 Ų19876 Ų7675%0.74745%0.453SS*.THydrogen-bonded Turntrans-79.3-7.4173.5-76.1-178.3-170.9173.23113.2L83 A84 A85L83-R87 PolarHBondContact O-N 2.86Å; A84-R87 PolarHBondContact O-N 2.92Å; A85-R87 VanDerWaalsContact C-N 3.32Å; A85-R87 PolarHBondContact O-N 3.49Å
88N31.9Very low38.2Very low105 Ų10575.8 Ų75.856%0.56145%0.451SS*.SBendtrans-84119.8162.3-111.4-35.3000107.7A85 G90 V91A85-N88 VanDerWaalsContact O-CB 3.28Å; A85-N88 WeakPolarHBondContact O-CB 3.45Å; A85-N88 PolarHBondContact O-N 3.4Å; N88-G90 PolarHBondContact O-N 3.04Å; N88-V91 HydrophobicContact CB-CG2 4.39Å; N88-V91 PolarHBondContact O-N 2.79Å
89P32.6Very low37Very low89 Ų8978 Ų7858%0.57845%0.449SS*.THydrogen-bonded Turntrans-614.7-174-22.532.7000116.3V336P89-V336 HydrophobicContact CB-CG1 4.09Å; P89-V336 WeakPolarHBondContact O-CG1 3.22Å
90G32.2Very low35.5Very low58 Ų5881.3 Ų81.360%0.59846%0.459SS*.THydrogen-bonded Turntrans-123.313.7-176.200000115.6N88N88-G90 PolarHBondContact O-N 3.04Å
91V31.5Very low34.1Very low48 Ų4886 Ų8629%0.29147%0.471SS..  trans-130.9109.2-179.2-169.70000110.6A85 N88A85-V91 HydrophobicContact CB-CB 4.38Å; A85-V91 HydrophobicContact CB-CG1 4.04Å; A85-V91 WeakPolarHBondContact O-CB 3.35Å; N88-V91 HydrophobicContact CB-CG2 4.39Å; N88-V91 PolarHBondContact O-N 2.79Å
92V32.2Very low33.2Very low74 Ų7486.3 Ų86.345%0.44848%0.48SS..  trans-114.9125170.7-159.80000107.2C94V92-C94 PolarHBondContact O-N 2.77Å
93P28.7Very low32.4Very low72 Ų7288.6 Ų88.647%0.46850%0.496SS..  trans-72.2112.8177.1-6.622000109.2V82V82-P93 HydrophobicContact CG1-CG 4.09Å
94C26.4Very low31.4Very low61 Ų6191.3 Ų91.341%0.41252%0.518SS..  trans-72.8128.7160.3-65.50000107.9V92 W96V92-C94 PolarHBondContact O-N 2.77Å; C94-W96 VanDerWaalsContact O-CD1 3.3Å; C94-W96 PolarHBondContact O-N 3.06Å
95V27.6Very low30.7Very low130 Ų13095 Ų9579%0.78853%0.53SS*.  trans-59127-179.2174.90000109.7
96W27.7Very low30.5Very low128 Ų128102.7 Ų102.749%0.48556%0.56SS.*  trans-93.7109.2171.7-70.584.7000108.4C94 V98 A173 V269 M320C94-W96 VanDerWaalsContact O-CD1 3.3Å; C94-W96 PolarHBondContact O-N 3.06Å; W96-V98 HydrophobicContact CE3-CG2 4.35Å; W96-A173 HydrophobicContact CZ3-CB 4.48Å; W96-V269 HydrophobicContact CZ2-CG1 4.27Å; W96-V269 HydrophobicContact CZ2-CG2 3.86Å; W96-M320 HydrophobicContact CH2-CE 3.17Å; W96-M320 HydrophobicContact CH2-CG 3.94Å; W96-M320 HydrophobicContact CH2-SD 3.59Å; W96-M320 VanDerWaalsContact CH2-SD 3.59Å; W96-M320 HydrophobicContact CZ2-CE 3.58Å; W96-M320 HydrophobicContact CZ2-SD 4.44Å; W96-M320 HydrophobicContact CZ3-CE 4.18Å; W96-M320 HydrophobicContact CZ3-SD 4.4Å
97D27.1Very low30.3Very low76 Ų76105.9 Ų105.941%0.40658%0.575SS.*  trans-96.4107.1161-75.3-34.6000107.7Y99 Y158D97-Y99 HydrophobicContact CB-CE2 4.45Å; D97-Y158 PolarHBondContact OD2-OH 2.98Å
98V29.5Very low29.9Very low80 Ų80102.5 Ų102.549%0.48558%0.576SS.*  trans-116.7120.2173176.60000107.6W96W96-V98 HydrophobicContact CE3-CG2 4.35Å
99Y28.9Very low30Very low86 Ų86104.5 Ų104.534%0.33758%0.582SS.*  trans-86.5158.9-179.4-69.5-71.1000113.4D97 N147 L149D97-Y99 HydrophobicContact CB-CE2 4.45Å; Y99-N147 VanDerWaalsContact CE1-C 3.5Å; Y99-N147 HydrophobicContact CE1-CB 4.47Å; Y99-N147 WeakPolarHBondContact CE1-O 3.46Å; Y99-N147 PolarHBondContact OH-O 3.19Å; Y99-L149 HydrophobicContact CD2-CD1 4.39Å; Y99-L149 HydrophobicContact CE1-CG 4.49Å; Y99-L149 HydrophobicContact CE2-CB 4.48Å; Y99-L149 HydrophobicContact CE2-CD1 3.5Å; Y99-L149 HydrophobicContact CE2-CG 3.99Å
100R26.9Very low30.1Very low95 Ų95105 Ų10536%0.35859%0.588SS.*  trans-88.3149-158.1-170.4-179.8-167.1166.2-7.9115.4I143R100-I143 HydrophobicContact CB-CB 3.76Å; R100-I143 HydrophobicContact CB-CD1 3.72Å; R100-I143 HydrophobicContact CB-CG1 4.27Å; R100-I143 HydrophobicContact CB-CG2 3.87Å; R100-I143 WeakPolarHBondContact CD-O 3.31Å; R100-I143 HydrophobicContact CG-CB 3.62Å; R100-I143 HydrophobicContact CG-CD1 3.79Å; R100-I143 HydrophobicContact CG-CG1 4.09Å; R100-I143 HydrophobicContact CG-CG2 4.29Å; R100-I143 PolarHBondContact NH1-O 3.33Å
101Y25.9Very low30.2Very low146 Ų146106 Ų10657%0.57359%0.591SS**  trans-45.5141.1159.1-100.9-102.2000116.3
102G29.1Very low30.4Very low68 Ų68108.1 Ų108.170%0.70161%0.613SS**  trans-109.1138.4157.800000111.7
103P28.8Very low30.5Very low116 Ų116110.8 Ų110.875%0.75363%0.625SS**  trans-97.6164.1-178.137.7-32.2000114.5
104S29Very low30.6Very low93 Ų93111.6 Ų111.665%0.6563%0.632SS**  trans54.4102.5149.3620000119.8
105D30Very low31Very low138 Ų138117.6 Ų117.674%0.73865%0.654SS**  174.6150.5110.1-79.7-23.7000111.7E107D105-E107 PolarHBondContact O-N 2.96Å
106E33.5Very low31.2Very low194 Ų194117.9 Ų117.991%0.90766%0.656SS**THydrogen-bonded Turntrans-64.715-174.2-91.3177.7131.200116
107E33.4Very low31.4Very low169 Ų169123.6 Ų123.679%0.7968%0.678SS**THydrogen-bonded Turntrans-97.8-14.4-168.9-89.8-178.3136.900116.6D105 Q109D105-E107 PolarHBondContact O-N 2.96Å; E107-Q109 VanDerWaalsContact C-N 3.31Å; E107-Q109 PolarHBondContact O-N 2.74Å
108T34.6Very low31.3Very low126 Ų126131.3 Ų131.377%0.77370%0.701SS**THydrogen-bonded Turntrans-87.87.7-177.4-27.20000114.5
109Q34.8Very low31.3Very low148 Ų148133.1 Ų133.169%0.69271%0.714SS**THydrogen-bonded Turntrans-94.81.9173.6-79.1167.413.600113.7E107E107-Q109 VanDerWaalsContact C-N 3.31Å; E107-Q109 PolarHBondContact O-N 2.74Å
110S34.8Very low31.2Very low99 Ų99133.1 Ų133.169%0.69273%0.733SS**SBendtrans-92.7-13.7177.5-176.80000114.6
111A34.6Very low31.2Very low80 Ų80134.6 Ų134.666%0.66176%0.757SS**SBendtrans-96.9-11.8-172.500000114.9
112A34.5Very low31.4Very low91 Ų91132.1 Ų132.175%0.75277%0.767SS**SBendtrans-98.8-2.9179.500000114.4
113N34.3Very low31.3Very low131 Ų131133.8 Ų133.870%0.70177%0.768SS**SBendtrans-113.89.8-176-77.7-31.8000114.5Q115N113-Q115 VanDerWaalsContact C-N 3.33Å; N113-Q115 PolarHBondContact O-N 2.91Å
114S32.4Very low31.2Very low89 Ų89138.4 Ų138.462%0.62277%0.772SS**THydrogen-bonded Turntrans-91.950.6180600000112.9
115Q33.4Very low31.2Very low186 Ų186141.6 Ų141.687%0.86978%0.781SS**THydrogen-bonded Turntrans-163.148.1165.7-114.4149.814.700114.5N113N113-Q115 VanDerWaalsContact C-N 3.33Å; N113-Q115 PolarHBondContact O-N 2.91Å
116T32.4Very low31Very low136 Ų136142.6 Ų142.683%0.83479%0.786SS**SBendtrans-151.5132.8158.514.90000111.3
117R31.2Very low30.7Very low249 Ų249145 Ų14594%0.9479%0.787SS**  trans-62.6134.8-171.1-65.9171.5-175.9177.80.2112.6
118R26.4Very low30.5Very low238 Ų238142.2 Ų142.290%0.89879%0.792SS**  trans-52.2161157.3-89.7-174.7-177.5-168.12111.6
119P28.5Very low30.2Very low117 Ų117144.6 Ų144.676%0.7680%0.795SS**  cis-154.7165.848.941-18.5000121.2
120A26.3Very low29.9Very low87 Ų87146.1 Ų146.172%0.71980%0.801SS**  trans69.1135.9137.600000123.1
121S27.5Very low29.6Very low125 Ų125147.1 Ų147.187%0.87481%0.808SS**  trans73.8131.8169.976.50000114.6
122A29.6Very low29.2Very low95 Ų95150.4 Ų150.479%0.78582%0.82SS**  cis-150143.625.500000111.4
123S27.6Very low28.7Very low102 Ų102148.9 Ų148.971%0.71381%0.814SS**  trans-60.3131.8157.850.50000110.6
124Y26.3Very low28.3Very low214 Ų214151.6 Ų151.684%0.83982%0.822SS**  trans-175.1133.3143.3-110.2-77.1000110.6
125L29.3Very low28Very low160 Ų160156.7 Ų156.784%0.83883%0.834SS**  trans96.274159.4-58.2164.4000118.6
126D25.7Very low27.5Very low159 Ų159154.1 Ų154.185%0.8583%0.826SS**  trans-58.8127.7131.5-86.5-41.6000110.9
127R27.7Very low27.1Very low245 Ų245152.1 Ų152.193%0.92582%0.816SS**  trans144.895.9146.4-86.9-179.3-173.5141.44.5111.6
128A29.3Very low26.8Very low109 Ų109147.8 Ų147.890%0.90181%0.81SS**  trans-161.778.4144.100000109
129Q28.8Very low26.8Very low176 Ų176144.3 Ų144.382%0.82280%0.798SS**  trans-87.9145.6155.4-79.4-179.5-44.300108.4
130H27.4Very low26.5Very low180 Ų180145.3 Ų145.383%0.83380%0.797SS**  trans90.786171.1-58.3-79.4000118.4
131S28.3Very low26.6Very low120 Ų120148 Ų14884%0.83980%0.798SS**  -153115.6125.566.50000110.4
132T25.8Very low26.5Very low149 Ų149145.8 Ų145.891%0.91478%0.783SS**  trans-55.6127.7171.945.60000112.2
133G25.4Very low26.7Very low60 Ų60143.8 Ų143.862%0.61976%0.758SS**  trans-175.279.9175.200000108.6F135G133-F135 PolarHBondContact O-N 3Å
134E24.9Very low27.1Very low187 Ų187143.9 Ų143.987%0.87475%0.747SS**  trans-5893.3176.3-171166.6-175.400109.8D136E134-D136 PolarHBondContact O-N 2.78Å
135F25.8Very low27.6Very low196 Ų196141.8 Ų141.886%0.8674%0.742SS**  trans-92.889.2164-90.8-86.8000107.3G133 C137G133-F135 PolarHBondContact O-N 3Å; F135-C137 PolarHBondContact O-N 3.08Å
136D23.9Very low27.9Very low132 Ų132139.9 Ų139.971%0.70673%0.73SS**  trans-63.5111.7174.8-153.27.2000108.7E134 I138E134-D136 PolarHBondContact O-N 2.78Å; D136-I138 PolarHBondContact O-N 2.83Å
137C23.4Very low28.5Very low94 Ų94138 Ų13864%0.63572%0.719SS**  trans-71.292.6175.8-93.90000108.2F135 Y139F135-C137 PolarHBondContact O-N 3.08Å; C137-Y139 HydrophobicContact CB-CD2 3.74Å; C137-Y139 HydrophobicContact CB-CE2 4.12Å; C137-Y139 PolarHBondContact O-N 3.02Å
138I24.4Very low29.6Very low158 Ų158129 Ų12981%0.8169%0.689SS**  trans-69.478.5168.6-54.4178.8000108.2D136D136-I138 PolarHBondContact O-N 2.83Å
139Y26Very low30.9Very low166 Ų166125.4 Ų125.465%0.65166%0.655SS**  trans-114.879.8166.3-73.7-89.3000107.6C137C137-Y139 HydrophobicContact CB-CD2 3.74Å; C137-Y139 HydrophobicContact CB-CE2 4.12Å; C137-Y139 PolarHBondContact O-N 3.02Å
140D23.6Very low32.4Very low137 Ų137121.4 Ų121.473%0.73364%0.639SS**  trans-147.771.8170.4-132.7-13.7000110S142D140-S142 PolarHBondContact O-N 2.87Å
141I28Very low34.5Very low143 Ų143115.3 Ų115.373%0.73361%0.612SS**  trans-86.798.6161.7-58.5176.5000106.1I143I141-I143 VanDerWaalsContact C-N 3.34Å; I141-I143 HydrophobicContact CG2-CG1 3.94Å; I141-I143 PolarHBondContact O-N 2.76Å
142S26Very low37.2Very low79 Ų79111 Ų11155%0.55258%0.579SS**  trans-71.688.1170.6-79.30000110.4D140 E144D140-S142 PolarHBondContact O-N 2.87Å; S142-E144 PolarHBondContact O-N 3.14Å; S142-E144 VanDerWaalsContact O-N 3.11Å
143I33.2Very low40Very low53 Ų53107.2 Ų107.227%0.27256%0.558SS.*  trans-71.899.1169.4-61.2167.9000107.5R100 I141 K145R100-I143 HydrophobicContact CB-CB 3.76Å; R100-I143 HydrophobicContact CB-CD1 3.72Å; R100-I143 HydrophobicContact CB-CG1 4.27Å; R100-I143 HydrophobicContact CB-CG2 3.87Å; R100-I143 WeakPolarHBondContact CD-O 3.31Å; R100-I143 HydrophobicContact CG-CB 3.62Å; R100-I143 HydrophobicContact CG-CD1 3.79Å; R100-I143 HydrophobicContact CG-CG1 4.09Å; R100-I143 HydrophobicContact CG-CG2 4.29Å; R100-I143 PolarHBondContact NH1-O 3.33Å; I141-I143 VanDerWaalsContact C-N 3.34Å; I141-I143 HydrophobicContact CG2-CG1 3.94Å; I141-I143 PolarHBondContact O-N 2.76Å; I143-K145 PolarHBondContact O-N 3.29Å
144E36.4Very low42.6Very low105 Ų105106.7 Ų106.749%0.49155%0.545SS..  trans-56.5136.7179.9-70.4-164.4152.100111.2S142 E146S142-E144 PolarHBondContact O-N 3.14Å; S142-E144 VanDerWaalsContact O-N 3.11Å; E144-E146 PolarHBondContact O-N 2.99Å
145K35.4Very low45.4Very low169 Ų16999.3 Ų99.374%0.73551%0.511SS*.  trans-70.844.8-167-67-177.9157.8-178.60115.3I143 L148I143-K145 PolarHBondContact O-N 3.29Å; K145-L148 HydrophobicContact CB-CD1 3.54Å; K145-L148 HydrophobicContact CD-CD1 4.39Å; K145-L148 HydrophobicContact CG-CD1 3.57Å
146E35.6Very low48.4Very low121 Ų12193.1 Ų93.157%0.56548%0.482SS*.SBendtrans-110.2116.2178.9-61.6-161.5145.300109.9R56 E144R56-E146 IonicContact CZ-OE1 3.84Å; R56-E146 VanDerWaalsContact CZ-OE1 3.28Å; R56-E146 IonicContact NH1-OE1 3.28Å; R56-E146 PolarHBondContact NH1-OE1 3.24Å; R56-E146 VanDerWaalsContact NH1-OE1 3.07Å; R56-E146 VanDerWaalsContact NH2-CD 3.26Å; R56-E146 IonicContact NH2-OE1 3.17Å; R56-E146 PolarHBondContact NH2-OE1 2.99Å; R56-E146 IonicContact NH2-OE2 3.07Å; R56-E146 PolarHBondContact NH2-OE2 3.36Å; E144-E146 PolarHBondContact O-N 2.99Å
147N40.1Very low51.3Low118 Ų11890.5 Ų90.563%0.63147%0.471SS*.SBendtrans79.620.8-170.5-60.9-14.1000118.3Y99 L149Y99-N147 VanDerWaalsContact CE1-C 3.5Å; Y99-N147 HydrophobicContact CE1-CB 4.47Å; Y99-N147 WeakPolarHBondContact CE1-O 3.46Å; Y99-N147 PolarHBondContact OH-O 3.19Å; N147-L149 PolarHBondContact O-N 2.92Å
148L49.4Very low54.2Low57 Ų5790 Ų9030%0.29846%0.457SS..  trans-50.8102.7172.2-96.1142.1000111.4K145 N150K145-L148 HydrophobicContact CB-CD1 3.54Å; K145-L148 HydrophobicContact CD-CD1 4.39Å; K145-L148 HydrophobicContact CG-CD1 3.57Å; L148-N150 VanDerWaalsContact CB-OD1 3.32Å; L148-N150 WeakPolarHBondContact CB-OD1 3.24Å; L148-N150 WeakPolarHBondContact CD2-OD1 3.3Å; L148-N150 PolarHBondContact O-N 2.9Å
149L58Low57.2Low34 Ų3482.9 Ų82.918%0.17842%0.42CS..  trans-70.869169.1-63.6170.6000107.1Y99 N147 D151 L155 Y158Y99-L149 HydrophobicContact CD2-CD1 4.39Å; Y99-L149 HydrophobicContact CE1-CG 4.49Å; Y99-L149 HydrophobicContact CE2-CB 4.48Å; Y99-L149 HydrophobicContact CE2-CD1 3.5Å; Y99-L149 HydrophobicContact CE2-CG 3.99Å; N147-L149 PolarHBondContact O-N 2.92Å; L149-D151 VanDerWaalsContact C-N 3.32Å; L149-L155 HydrophobicContact CB-CB 4.09Å; L149-L155 HydrophobicContact CB-CD1 4.45Å; L149-L155 HydrophobicContact CB-CG 4.48Å; L149-L155 HydrophobicContact CD1-CB 4.4Å; L149-L155 HydrophobicContact CD1-CG 4.23Å; L149-Y158 HydrophobicContact CD1-CD1 3.9Å; L149-Y158 HydrophobicContact CD1-CG 4.09Å; L149-Y158 HydrophobicContact CD2-CG 4.45Å
150N59.1Low60.1Low91 Ų9178.3 Ų78.349%0.48740%0.404SS..  trans-77.2-22.9-172.9-76.7-23000112.8L148L148-N150 VanDerWaalsContact CB-OD1 3.32Å; L148-N150 WeakPolarHBondContact CB-OD1 3.24Å; L148-N150 WeakPolarHBondContact CD2-OD1 3.3Å; L148-N150 PolarHBondContact O-N 2.9Å
151D72.6Confident62.7Low52 Ų5276.9 Ų76.928%0.27840%0.397SS..SBendtrans-112.7149.5178.872.379.5000110.2L149 S153 S154 L155L149-D151 VanDerWaalsContact C-N 3.32Å; D151-S153 VanDerWaalsContact C-N 3.26Å; D151-S153 PolarHBondContact O-N 3.43Å; D151-S153 WeakPolarHBondContact OD1-CA 3.35Å; D151-S153 VanDerWaalsContact OD1-CB 3.28Å; D151-S153 WeakPolarHBondContact OD1-CB 3.37Å; D151-S153 PolarHBondContact OD1-N 3.39Å; D151-S154 VanDerWaalsContact CG-OG 3.28Å; D151-S154 PolarHBondContact O-N 3.44Å; D151-S154 WeakPolarHBondContact OD1-CB 3.44Å; D151-S154 PolarHBondContact OD1-N 2.77Å; D151-S154 PolarHBondContact OD1-OG 3.17Å; D151-S154 WeakPolarHBondContact OD2-CB 3.1Å; D151-S154 PolarHBondContact OD2-OG 3.4Å; D151-L155 PolarHBondContact O-N 3Å
152K84.1Confident65.2Low31 Ų3171 Ų7114%0.13537%0.367CS..Hα-helixtrans-52.4-45.8177.2175.1174.165.7-166.60111.2S154 L155 R156 L191 E196 E197 I199 Y200K152-S154 PolarHBondContact O-N 2.81Å; K152-L155 PolarHBondContact O-N 2.82Å; K152-L155 VanDerWaalsContact O-N 3.14Å; K152-R156 HydrophobicContact CG-CG 4.06Å; K152-R156 VanDerWaalsContact O-CG 3.25Å; K152-R156 WeakPolarHBondContact O-CG 3.48Å; K152-R156 PolarHBondContact O-N 3.19Å; K152-L191 HydrophobicContact CB-CD1 4.31Å; K152-E196 PolarHBondContact NZ-O 2.82Å; K152-E197 WeakPolarHBondContact CB-O 3.43Å; K152-E197 PolarHBondContact N-O 2.9Å; K152-I199 WeakPolarHBondContact CD-O 3.35Å; K152-I199 PolarHBondContact NZ-O 2.85Å; K152-Y200 HydrophobicContact CD-CD2 4.16Å; K152-Y200 HydrophobicContact CG-CD2 4.16Å; K152-Y200 HydrophobicContact CG-CG 4.46Å
153S84.5Confident67.9Low69 Ų6967.3 Ų67.348%0.48334%0.342SS..Hα-helixtrans-62-43.3-173.1-55.10000112.7D151 L155 R156 T157D151-S153 VanDerWaalsContact C-N 3.26Å; D151-S153 PolarHBondContact O-N 3.43Å; D151-S153 WeakPolarHBondContact OD1-CA 3.35Å; D151-S153 VanDerWaalsContact OD1-CB 3.28Å; D151-S153 WeakPolarHBondContact OD1-CB 3.37Å; D151-S153 PolarHBondContact OD1-N 3.39Å; S153-L155 VanDerWaalsContact C-N 3.33Å; S153-R156 PolarHBondContact O-N 2.68Å; S153-T157 WeakPolarHBondContact O-CB 3.46Å; S153-T157 PolarHBondContact O-N 3.35Å; S153-T157 PolarHBondContact O-OG1 2.82Å
154S80.7Confident70.2Confident49 Ų4970.2 Ų70.234%0.34336%0.358SS..Hα-helixtrans-61.3-44.3175.5-68.50000110.6D151 K152 T157 Y158D151-S154 VanDerWaalsContact CG-OG 3.28Å; D151-S154 PolarHBondContact O-N 3.44Å; D151-S154 WeakPolarHBondContact OD1-CB 3.44Å; D151-S154 PolarHBondContact OD1-N 2.77Å; D151-S154 PolarHBondContact OD1-OG 3.17Å; D151-S154 WeakPolarHBondContact OD2-CB 3.1Å; D151-S154 PolarHBondContact OD2-OG 3.4Å; K152-S154 PolarHBondContact O-N 2.81Å; S154-T157 PolarHBondContact O-N 3.08Å; S154-Y158 WeakPolarHBondContact O-CB 3.26Å; S154-Y158 PolarHBondContact O-N 2.92Å
155L82.7Confident71.8Confident31 Ų3166.6 Ų66.616%0.16234%0.344CS..Hα-helixtrans-64.8-46.9179.4-170.3152.3000111.9L149 D151 K152 S153 T157 Y158 I159 Y200L149-L155 HydrophobicContact CB-CB 4.09Å; L149-L155 HydrophobicContact CB-CD1 4.45Å; L149-L155 HydrophobicContact CB-CG 4.48Å; L149-L155 HydrophobicContact CD1-CB 4.4Å; L149-L155 HydrophobicContact CD1-CG 4.23Å; D151-L155 PolarHBondContact O-N 3Å; K152-L155 PolarHBondContact O-N 2.82Å; K152-L155 VanDerWaalsContact O-N 3.14Å; S153-L155 VanDerWaalsContact C-N 3.33Å; L155-T157 VanDerWaalsContact C-N 3.34Å; L155-T157 PolarHBondContact O-N 2.99Å; L155-Y158 PolarHBondContact O-N 3.26Å; L155-I159 HydrophobicContact CD2-CD1 3.47Å; L155-I159 VanDerWaalsContact CD2-CD1 3.47Å; L155-I159 HydrophobicContact CD2-CG1 4.19Å; L155-I159 WeakPolarHBondContact O-CG1 3.13Å; L155-I159 PolarHBondContact O-N 2.8Å; L155-Y200 HydrophobicContact CD2-CD1 4.01Å; L155-Y200 HydrophobicContact CD2-CE1 3.23Å; L155-Y200 HydrophobicContact CG-CE1 4.49Å
156R88.6Confident72.8Confident66 Ų6664.4 Ų64.425%0.24934%0.34CS..Hα-helixtrans-59.9-45.8176.7-62.3-173.371.9159.44.4111.2K152 S153 Y158 I159 H160 Y200 E204 D208K152-R156 HydrophobicContact CG-CG 4.06Å; K152-R156 VanDerWaalsContact O-CG 3.25Å; K152-R156 WeakPolarHBondContact O-CG 3.48Å; K152-R156 PolarHBondContact O-N 3.19Å; S153-R156 PolarHBondContact O-N 2.68Å; R156-Y158 VanDerWaalsContact C-N 3.33Å; R156-Y158 PolarHBondContact O-N 3.4Å; R156-I159 PolarHBondContact O-N 3.43Å; R156-H160 PolarHBondContact O-CD2 3.31Å; R156-H160 PolarHBondContact O-N 2.82Å; R156-Y200 HydrophobicContact CG-CE2 4.04Å; R156-E204 IonicContact NH1-OE1 3.51Å; R156-E204 PolarHBondContact NH1-OE1 3.28Å; R156-D208 WeakPolarHBondContact CB-OD2 3.34Å; R156-D208 WeakPolarHBondContact CD-OD2 3.26Å; R156-D208 WeakPolarHBondContact CG-OD2 3.49Å; R156-D208 IonicContact CZ-OD1 2.78Å; R156-D208 IonicContact CZ-OD2 2.87Å; R156-D208 IonicContact NE-OD1 3.54Å; R156-D208 PolarHBondContact NE-OD1 3.43Å; R156-D208 IonicContact NE-OD2 3Å; R156-D208 PolarHBondContact NE-OD2 2.97Å; R156-D208 IonicContact NH2-OD1 3.4Å; R156-D208 PolarHBondContact NH2-OD1 2.85Å; R156-D208 IonicContact NH2-OD2 3.14Å
157T85.9Confident73.6Confident77 Ų7762.7 Ų62.747%0.47234%0.335SS..Hα-helixtrans-59.2-45.6177.2-55.60000111S153 S154 L155 H160 D161S153-T157 WeakPolarHBondContact O-CB 3.46Å; S153-T157 PolarHBondContact O-N 3.35Å; S153-T157 PolarHBondContact O-OG1 2.82Å; S154-T157 PolarHBondContact O-N 3.08Å; L155-T157 VanDerWaalsContact C-N 3.34Å; L155-T157 PolarHBondContact O-N 2.99Å; T157-H160 PolarHBondContact O-N 2.72Å; T157-D161 WeakPolarHBondContact O-CB 3.26Å; T157-D161 VanDerWaalsContact O-CG 3.31Å; T157-D161 PolarHBondContact O-N 2.76Å
158Y83.7Confident74.4Confident85 Ų8561.2 Ų61.233%0.33333%0.333SS..Hα-helixtrans-61.6-46.6178.2-177.8-104.2000112.4D97 L149 S154 L155 R156 H160 D161 V162D97-Y158 PolarHBondContact OD2-OH 2.98Å; L149-Y158 HydrophobicContact CD1-CD1 3.9Å; L149-Y158 HydrophobicContact CD1-CG 4.09Å; L149-Y158 HydrophobicContact CD2-CG 4.45Å; S154-Y158 WeakPolarHBondContact O-CB 3.26Å; S154-Y158 PolarHBondContact O-N 2.92Å; L155-Y158 PolarHBondContact O-N 3.26Å; R156-Y158 VanDerWaalsContact C-N 3.33Å; R156-Y158 PolarHBondContact O-N 3.4Å; Y158-H160 PolarHBondContact O-N 3.45Å; Y158-D161 PolarHBondContact O-N 3.14Å; Y158-V162 HydrophobicContact CD1-CG2 4.37Å; Y158-V162 HydrophobicContact CD2-CG2 4.34Å; Y158-V162 HydrophobicContact CE1-CG2 4.03Å; Y158-V162 HydrophobicContact CE2-CG2 3.97Å; Y158-V162 WeakPolarHBondContact O-CB 3.33Å; Y158-V162 WeakPolarHBondContact O-CG2 3.48Å; Y158-V162 PolarHBondContact O-N 3.25Å
159I86.9Confident75.3Confident8 Ų859.8 Ų59.84%0.04133%0.326CS..Hα-helixtrans-59.8-47177.5-69.7178.9000110.5L155 R156 V162 C163 L205 D208 L209L155-I159 HydrophobicContact CD2-CD1 3.47Å; L155-I159 VanDerWaalsContact CD2-CD1 3.47Å; L155-I159 HydrophobicContact CD2-CG1 4.19Å; L155-I159 WeakPolarHBondContact O-CG1 3.13Å; L155-I159 PolarHBondContact O-N 2.8Å; R156-I159 PolarHBondContact O-N 3.43Å; I159-V162 PolarHBondContact O-N 2.97Å; I159-C163 VanDerWaalsContact O-CB 3.27Å; I159-C163 WeakPolarHBondContact O-CB 3.35Å; I159-C163 PolarHBondContact O-N 3.36Å; I159-L205 HydrophobicContact CD1-CD1 3.86Å; I159-D208 HydrophobicContact CG2-CB 4.17Å; I159-D208 WeakPolarHBondContact CG2-O 3.18Å; I159-L209 HydrophobicContact CG2-CD2 3.66Å; I159-L209 HydrophobicContact CG2-CG 4.37Å
160H87Confident75.9Confident69 Ų6959.3 Ų59.332%0.31932%0.324SS..Hα-helixtrans-61.7-48.2177.9-76.7-56.8000112.5R156 T157 Y158 V162 C163 D164 D208R156-H160 PolarHBondContact O-CD2 3.31Å; R156-H160 PolarHBondContact O-N 2.82Å; T157-H160 PolarHBondContact O-N 2.72Å; Y158-H160 PolarHBondContact O-N 3.45Å; H160-V162 VanDerWaalsContact C-N 3.25Å; H160-V162 PolarHBondContact O-N 3.21Å; H160-C163 PolarHBondContact O-N 3.06Å; H160-D164 VanDerWaalsContact O-CB 3.29Å; H160-D164 WeakPolarHBondContact O-CB 3.32Å; H160-D164 PolarHBondContact O-N 2.95Å; H160-D208 IonicContact CE1-OD1 3.34Å; H160-D208 IonicContact NE2-OD1 2.64Å; H160-D208 PolarHBondContact NE2-OD1 2.9Å
161D79.1Confident76.8Confident107 Ų10756.1 Ų56.157%0.57231%0.308SS*.Hα-helixtrans-57.5-41.5179.4-77.1-14.7000111.5T157 Y158 S165T157-D161 WeakPolarHBondContact O-CB 3.26Å; T157-D161 VanDerWaalsContact O-CG 3.31Å; T157-D161 PolarHBondContact O-N 2.76Å; Y158-D161 PolarHBondContact O-N 3.14Å; D161-S165 VanDerWaalsContact O-CB 3.29Å; D161-S165 WeakPolarHBondContact O-CB 3.1Å; D161-S165 PolarHBondContact O-N 2.73Å
162V80Confident77.4Confident19 Ų1954.5 Ų54.512%0.11530%0.299CS..Hα-helixtrans-69.5-46.8177.31710000110.8Y158 I159 H160 S165 V169 L172Y158-V162 HydrophobicContact CD1-CG2 4.37Å; Y158-V162 HydrophobicContact CD2-CG2 4.34Å; Y158-V162 HydrophobicContact CE1-CG2 4.03Å; Y158-V162 HydrophobicContact CE2-CG2 3.97Å; Y158-V162 WeakPolarHBondContact O-CB 3.33Å; Y158-V162 WeakPolarHBondContact O-CG2 3.48Å; Y158-V162 PolarHBondContact O-N 3.25Å; I159-V162 PolarHBondContact O-N 2.97Å; H160-V162 VanDerWaalsContact C-N 3.25Å; H160-V162 PolarHBondContact O-N 3.21Å; V162-S165 PolarHBondContact O-N 3.33Å; V162-S165 PolarHBondContact O-OG 3.4Å; V162-V169 HydrophobicContact CG1-CB 4.33Å; V162-V169 HydrophobicContact CG1-CG1 4.01Å; V162-V169 HydrophobicContact CG1-CG2 3.64Å; V162-L172 HydrophobicContact CG1-CD1 3.82Å; V162-L172 HydrophobicContact CG1-CD2 3.92Å; V162-L172 HydrophobicContact CG1-CG 4.29Å
163C83.1Confident77.5Confident3 Ų354.9 Ų54.92%0.0231%0.308CS..Hα-helixtrans-70.2-30.5-177.9-83.80000114I159 H160 C212 Q213I159-C163 VanDerWaalsContact O-CB 3.27Å; I159-C163 WeakPolarHBondContact O-CB 3.35Å; I159-C163 PolarHBondContact O-N 3.36Å; H160-C163 PolarHBondContact O-N 3.06Å; C163-C212 WeakPolarHBondContact CA-SG 3.48Å; C163-C212 HydrophobicContact CB-CB 3.74Å; C163-C212 WeakPolarHBondContact CB-SG 3.25Å; C163-C212 WeakPolarHBondContact SG-CB 3.47Å; C163-C212 CovalentContact SG-SG 2.05Å; C163-C212 PolarHBondContact SG-SG 3.3Å; C163-Q213 WeakPolarHBondContact O-CB 3.42Å; C163-Q213 WeakPolarHBondContact O-CG 3.39Å; C163-Q213 PolarHBondContact O-N 2.64Å
164D80.9Confident77.7Confident113 Ų11352.6 Ų52.660%0.60429%0.291SS*.Hα-helixtrans-85.6-13.9176.7-71.3-15.5000112.3H160 L166H160-D164 VanDerWaalsContact O-CB 3.29Å; H160-D164 WeakPolarHBondContact O-CB 3.32Å; H160-D164 PolarHBondContact O-N 2.95Å; D164-L166 PolarHBondContact O-N 2.77Å
165S70.7Confident78Confident30 Ų3053.2 Ų53.221%0.2129%0.288CS..  trans-66.595.4179.172.20000111.4D161 V162 N167 V169D161-S165 VanDerWaalsContact O-CB 3.29Å; D161-S165 WeakPolarHBondContact O-CB 3.1Å; D161-S165 PolarHBondContact O-N 2.73Å; V162-S165 PolarHBondContact O-N 3.33Å; V162-S165 PolarHBondContact O-OG 3.4Å; S165-N167 PolarHBondContact O-N 3Å; S165-V169 WeakPolarHBondContact OG-CG2 3.28Å
166L55.8Low78.2Confident122 Ų12252.6 Ų52.664%0.63929%0.285SS*.THydrogen-bonded Turntrans-60116.1169.5-66.4173.4000107.8D164 Q213D164-L166 PolarHBondContact O-N 2.77Å; L166-Q213 HydrophobicContact CD2-CG 4.14Å
167N52.9Low78.1Confident86 Ų8653.6 Ų53.646%0.4629%0.292SS..THydrogen-bonded Turntrans79.211.2170.7-54.3-48.6000119.1S165 N345S165-N167 PolarHBondContact O-N 3Å; N167-N345 VanDerWaalsContact C-CB 3.5Å; N167-N345 HydrophobicContact CB-CB 3.4Å; N167-N345 VanDerWaalsContact CB-CB 3.4Å; N167-N345 WeakPolarHBondContact CB-O 3.38Å; N167-N345 CarbonylContact O-C 3.48Å; N167-N345 WeakPolarHBondContact O-CB 2.91Å
168C56.8Low77.8Confident87 Ų8750.7 Ų50.759%0.58828%0.276SS*.THydrogen-bonded Turntrans-99.5-26.2176.3-69.30000113.1
169V68Low77.8Confident27 Ų2750.9 Ų50.916%0.16429%0.288CS..  trans-124.8108.3-166.8-174.90000109.8V162 S165 V171 L172 A214V162-V169 HydrophobicContact CG1-CB 4.33Å; V162-V169 HydrophobicContact CG1-CG1 4.01Å; V162-V169 HydrophobicContact CG1-CG2 3.64Å; S165-V169 WeakPolarHBondContact OG-CG2 3.28Å; V169-V171 WeakPolarHBondContact CG1-O 3.48Å; V169-L172 HydrophobicContact CG1-CB 4.01Å; V169-A214 HydrophobicContact CB-CB 4.44Å; V169-A214 HydrophobicContact CG1-CB 3.94Å; V169-A214 WeakPolarHBondContact O-CA 3.42Å
170D69.9Low77.7Confident23 Ų2351.5 Ų51.512%0.12329%0.294CS..SBendtrans-79.6-44.6170.7-75-49.5000110.7K215 Q216 Q344 N345D170-K215 WeakPolarHBondContact O-CA 3.49Å; D170-K215 VanDerWaalsContact O-CB 3.32Å; D170-K215 WeakPolarHBondContact O-CB 3.28Å; D170-K215 PolarHBondContact O-N 3.02Å; D170-K215 WeakPolarHBondContact OD1-CD 3.42Å; D170-K215 WeakPolarHBondContact OD1-CE 3.38Å; D170-K215 IonicContact OD1-NZ 3.78Å; D170-K215 PolarHBondContact OD1-NZ 3.19Å; D170-Q216 PolarHBondContact O-N 2.93Å; D170-Q216 VanDerWaalsContact O-N 3.08Å; D170-Q344 VanDerWaalsContact OD2-CB 3.29Å; D170-Q344 WeakPolarHBondContact OD2-CB 3.01Å; D170-Q344 WeakPolarHBondContact OD2-CG 3.25Å; D170-Q344 PolarHBondContact OD2-N 2.9Å; D170-N345 VanDerWaalsContact OD1-CG 3.31Å; D170-N345 PolarHBondContact OD1-ND2 2.98Å; D170-N345 PolarHBondContact OD1-OD1 2.95Å
171V78.6Confident77.7Confident25 Ų2551 Ų5115%0.15230%0.296CS..EExtended strand (participates in β ladder)trans-129.5128179.1-176.90000109.4V169 Q216 Y218V169-V171 WeakPolarHBondContact CG1-O 3.48Å; V171-Q216 WeakPolarHBondContact CA-O 3.45Å; V171-Q216 HydrophobicContact CG1-CB 4.46Å; V171-Q216 HydrophobicContact CG2-CB 4.31Å; V171-Y218 HydrophobicContact CG1-CD2 3.52Å; V171-Y218 HydrophobicContact CG1-CE2 3.58Å
172L84.8Confident78.1Confident17 Ų1751.2 Ų51.29%0.08929%0.293CS..EExtended strand (participates in β ladder)trans-108.4121.6168.1172.854.7000108.6V162 V169 V174 L209 A214 Q216 V217 Y218V162-L172 HydrophobicContact CG1-CD1 3.82Å; V162-L172 HydrophobicContact CG1-CD2 3.92Å; V162-L172 HydrophobicContact CG1-CG 4.29Å; V169-L172 HydrophobicContact CG1-CB 4.01Å; L172-V174 HydrophobicContact CD1-CG2 4.15Å; L172-V174 HydrophobicContact CD2-CG2 4.27Å; L172-V174 HydrophobicContact CG-CG2 4Å; L172-L209 HydrophobicContact CD2-CD2 4.2Å; L172-A214 HydrophobicContact CB-CB 4.19Å; L172-Q216 PolarHBondContact N-O 2.9Å; L172-V217 HydrophobicContact CB-CG2 4.35Å; L172-V217 HydrophobicContact CD2-CG1 4.47Å; L172-V217 HydrophobicContact CG-CG1 4.48Å; L172-V217 CarbonylContact O-C 3.04Å; L172-V217 VanDerWaalsContact O-CA 3.25Å; L172-V217 WeakPolarHBondContact O-CA 3.44Å; L172-Y218 PolarHBondContact O-N 3.44Å
173A86.7Confident78.3Confident39 Ų3952.6 Ų52.632%0.32230%0.301SS..EExtended strand (participates in β ladder)trans-109.5117.9171.600000109.7W96 Y218W96-A173 HydrophobicContact CZ3-CB 4.48Å; A173-Y218 CarbonylContact C-O 3.4Å; A173-Y218 WeakPolarHBondContact CA-O 3.34Å
174V88.5Confident78.4Confident22 Ų2257.5 Ų57.513%0.13334%0.342CS..EExtended strand (participates in β ladder)trans-107.2105.7173.7-176.50000107.8L172 V176 L209 Y218 L219 I220L172-V174 HydrophobicContact CD1-CG2 4.15Å; L172-V174 HydrophobicContact CD2-CG2 4.27Å; L172-V174 HydrophobicContact CG-CG2 4Å; V174-V176 HydrophobicContact CG1-CG2 4.04Å; V174-L209 HydrophobicContact CG2-CD2 4.15Å; V174-Y218 PolarHBondContact N-O 2.85Å; V174-L219 HydrophobicContact CB-CD1 4.08Å; V174-L219 HydrophobicContact CG1-CD1 4.06Å; V174-I220 PolarHBondContact O-N 2.78Å
175F88.1Confident78.5Confident62 Ų6259.4 Ų59.427%0.27235%0.347SS..EExtended strand (participates in β ladder)trans-102.1115.5176-170.3-83.7000109.8H177 I220 T260 F263F175-H177 HydrophobicContact CD1-CB 4.37Å; F175-H177 HydrophobicContact CE1-CB 3.84Å; F175-I220 CarbonylContact C-O 3.4Å; F175-I220 WeakPolarHBondContact CA-O 3.06Å; F175-I220 HydrophobicContact CD2-CB 3.63Å; F175-I220 HydrophobicContact CD2-CD1 3.99Å; F175-I220 HydrophobicContact CD2-CG1 4.44Å; F175-I220 HydrophobicContact CD2-CG2 3.44Å; F175-I220 VanDerWaalsContact CD2-CG2 3.44Å; F175-I220 HydrophobicContact CE2-CB 4.16Å; F175-I220 HydrophobicContact CE2-CG2 3.41Å; F175-I220 VanDerWaalsContact CE2-CG2 3.41Å; F175-I220 HydrophobicContact CG-CB 4.42Å; F175-I220 HydrophobicContact CG-CG2 4.49Å; F175-I220 HydrophobicContact CZ-CG2 4.45Å; F175-T260 HydrophobicContact CE1-CG2 4.19Å; F175-T260 HydrophobicContact CZ-CG2 3.86Å; F175-T260 WeakPolarHBondContact CZ-OG1 3.28Å; F175-F263 HydrophobicContact CE2-CD1 4.12Å; F175-F263 HydrophobicContact CE2-CE1 4.44Å
176V87.2Confident79.3Confident18 Ų1859.4 Ų59.411%0.10935%0.352CS..EExtended strand (participates in β ladder)trans-108.7114.2-179.4-178.20000108.9V174 A178 L189 L205 I220 L221 D222V174-V176 HydrophobicContact CG1-CG2 4.04Å; V176-A178 HydrophobicContact CG1-CB 4.32Å; V176-L189 HydrophobicContact CG1-CD1 3.67Å; V176-L189 HydrophobicContact CG1-CD2 3.95Å; V176-L189 HydrophobicContact CG1-CG 4.37Å; V176-L205 HydrophobicContact CG2-CD2 4.2Å; V176-I220 PolarHBondContact N-O 2.88Å; V176-L221 HydrophobicContact CB-CD2 3.82Å; V176-L221 HydrophobicContact CG1-CD2 4.49Å; V176-L221 HydrophobicContact CG2-CD2 3.83Å; V176-D222 PolarHBondContact O-N 3.48Å
177H85.3Confident81Confident87 Ų8754.2 Ų54.240%0.40333%0.325SS..EExtended strand (participates in β ladder)trans-122.8101.3167.3-178.677.3000108.6F175 D222 T260F175-H177 HydrophobicContact CD1-CB 4.37Å; F175-H177 HydrophobicContact CE1-CB 3.84Å; H177-D222 IonicContact CE1-OD2 2.78Å; H177-D222 PolarHBondContact ND1-O 2.77Å; H177-D222 IonicContact ND1-OD2 3.59Å; H177-D222 PolarHBondContact ND1-OD2 2.78Å; H177-T260 PolarHBondContact ND1-OG1 3.3Å
178A79.1Confident82.8Confident16 Ų1650.2 Ų50.213%0.13230%0.304CS..  trans-152153-174.400000110.6V176 H223V176-A178 HydrophobicContact CG1-CB 4.32Å; A178-H223 WeakPolarHBondContact O-CB 3.37Å
179P83.5Confident84.2Confident89 Ų8946.2 Ų46.258%0.57828%0.276SS*.  trans-58.9143.1163.4-19.432.4000110.3L190P179-L190 HydrophobicContact CB-CB 4.3Å; P179-L190 HydrophobicContact CB-CD1 4.23Å; P179-L190 PolarHBondContact O-N 3.26Å
180A86.3Confident84.9Confident20 Ų2046.8 Ų46.817%0.16528%0.278CS..EExtended strand (participates in β ladder)trans-122.9140.1176.400000110.5L187 S188 L189 H223 S224A180-L187 HydrophobicContact CB-CD1 3.95Å; A180-S188 CarbonylContact C-O 3.35Å; A180-S188 VanDerWaalsContact CA-O 3.31Å; A180-S188 WeakPolarHBondContact CA-O 3.49Å; A180-L189 HydrophobicContact CB-CD2 4.4Å; A180-H223 HydrophobicContact CB-CB 4.04Å; A180-S224 WeakPolarHBondContact CB-O 3.42Å
181V86.5Confident85.2Confident59 Ų5948.4 Ų48.436%0.35829%0.287SS..EExtended strand (participates in β ladder)trans-131.9144.4-179.965.90000109.8T183 S188 L190V181-T183 HydrophobicContact CG1-CG2 3.95Å; V181-S188 PolarHBondContact N-O 3.29Å; V181-S188 PolarHBondContact O-N 3.23Å; V181-L190 HydrophobicContact CG1-CD1 4.38Å; V181-L190 HydrophobicContact CG1-CD2 3.8Å; V181-L190 HydrophobicContact CG1-CG 4.14Å
182H86.8Confident85Confident112 Ų11248.7 Ų48.752%0.51930%0.295SS..EExtended strand (participates in β ladder)trans-82.1115.8168.5-75.4-78.2000109.4Y225H182-Y225 AromaticContact CD2-CD2 3.98Å; H182-Y225 AromaticContact CD2-CE2 3.98Å; H182-Y225 AromaticContact NE2-CD2 3.57Å; H182-Y225 AromaticContact NE2-CE2 3.94Å; H182-Y225 AromaticContact NE2-CG 3.7Å
183T84.7Confident84.2Confident47 Ų4755 Ų5529%0.28833%0.329SS..EExtended strand (participates in β ladder)trans-100.5176.5173.170.50000110.3V181 H185 G186 S188V181-T183 HydrophobicContact CG1-CG2 3.95Å; T183-H185 PolarHBondContact O-N 3.48Å; T183-H185 VanDerWaalsContact O-N 3.14Å; T183-H185 PolarHBondContact OG1-N 3.21Å; T183-G186 PolarHBondContact N-O 3.25Å; T183-G186 PolarHBondContact O-N 2.88Å; T183-G186 VanDerWaalsContact O-N 3.12Å; T183-G186 PolarHBondContact OG1-O 3.41Å; T183-G186 VanDerWaalsContact OG1-O 3.1Å; T183-S188 WeakPolarHBondContact CG2-OG 3.36Å; T183-S188 PolarHBondContact OG1-OG 3.08Å; T183-S188 VanDerWaalsContact OG1-OG 3.11Å
184A85Confident83.5Confident106 Ų10655.7 Ų55.788%0.87633%0.334SS*.THydrogen-bonded Turntrans-59.1-21.5171.500000113.1
185H83.5Confident82.9Confident153 Ų15360.5 Ų60.571%0.70836%0.356SS*.THydrogen-bonded Turntrans-98.47.9-179.6-58.9-67.5000113.4T183 N201T183-H185 PolarHBondContact O-N 3.48Å; T183-H185 VanDerWaalsContact O-N 3.14Å; T183-H185 PolarHBondContact OG1-N 3.21Å; H185-N201 PolarHBondContact O-ND2 2.93Å
186G88.3Confident82.4Confident31 Ų3165.2 Ų65.232%0.3238%0.378SS..EExtended strand (participates in β ladder)trans106.9-159-178.900000113.1T183 S188T183-G186 PolarHBondContact N-O 3.25Å; T183-G186 PolarHBondContact O-N 2.88Å; T183-G186 VanDerWaalsContact O-N 3.12Å; T183-G186 PolarHBondContact OG1-O 3.41Å; T183-G186 VanDerWaalsContact OG1-O 3.1Å; G186-S188 PolarHBondContact O-N 3.06Å
187L90.7Very high81.9Confident13 Ų1370.4 Ų70.47%0.06840%0.401CS..EExtended strand (participates in β ladder)trans-72.8128.2-179.1-173.362.4000109.9A180 L202 Y225 A228A180-L187 HydrophobicContact CB-CD1 3.95Å; L187-L202 HydrophobicContact CB-CB 4.41Å; L187-L202 HydrophobicContact CB-CD2 4.43Å; L187-L202 HydrophobicContact CD2-CD2 4.01Å; L187-L202 WeakPolarHBondContact O-CB 3.4Å; L187-L202 PolarHBondContact O-N 3.35Å; L187-Y225 HydrophobicContact CD1-CD2 4.07Å; L187-Y225 WeakPolarHBondContact CD2-O 3.37Å; L187-A228 HydrophobicContact CD2-CB 4.09Å
188S89.7Confident81.6Confident2 Ų268.5 Ų68.51%0.01439%0.393CS..EExtended strand (participates in β ladder)trans-131142.5-178.6-47.90000111.1A180 V181 T183 G186 I199 Y200A180-S188 CarbonylContact C-O 3.35Å; A180-S188 VanDerWaalsContact CA-O 3.31Å; A180-S188 WeakPolarHBondContact CA-O 3.49Å; V181-S188 PolarHBondContact N-O 3.29Å; V181-S188 PolarHBondContact O-N 3.23Å; T183-S188 WeakPolarHBondContact CG2-OG 3.36Å; T183-S188 PolarHBondContact OG1-OG 3.08Å; T183-S188 VanDerWaalsContact OG1-OG 3.11Å; G186-S188 PolarHBondContact O-N 3.06Å; S188-I199 VanDerWaalsContact CB-CG2 3.5Å; S188-Y200 WeakPolarHBondContact CA-O 3.34Å
189L87.5Confident81.7Confident2 Ų269.7 Ų69.71%0.0140%0.397CS..EExtended strand (participates in β ladder)trans-91133.8177.6-57.7167.5000108.9V176 A180 I199 Y200 L205 H223V176-L189 HydrophobicContact CG1-CD1 3.67Å; V176-L189 HydrophobicContact CG1-CD2 3.95Å; V176-L189 HydrophobicContact CG1-CG 4.37Å; A180-L189 HydrophobicContact CB-CD2 4.4Å; L189-I199 WeakPolarHBondContact O-CA 3.03Å; L189-Y200 PolarHBondContact N-O 3.14Å; L189-Y200 PolarHBondContact O-N 2.75Å; L189-L205 HydrophobicContact CD1-CD2 4.01Å; L189-H223 HydrophobicContact CD2-CB 4.35Å
190L81.7Confident82Confident39 Ų3965.6 Ų65.620%0.20437%0.37CS..EExtended strand (participates in β ladder)trans-92.7111174.6-58.2-177.1000108.9P179 V181 A194 I199P179-L190 HydrophobicContact CB-CB 4.3Å; P179-L190 HydrophobicContact CB-CD1 4.23Å; P179-L190 PolarHBondContact O-N 3.26Å; V181-L190 HydrophobicContact CG1-CD1 4.38Å; V181-L190 HydrophobicContact CG1-CD2 3.8Å; V181-L190 HydrophobicContact CG1-CG 4.14Å; L190-A194 HydrophobicContact CD2-CB 3.87Å; L190-I199 HydrophobicContact CD2-CG1 3.81Å
191L76.9Confident82.2Confident57 Ų5765.4 Ų65.430%0.29837%0.366SS..SBendtrans-84.5-17.4175.9-53.9-177.2000112.3K152 E198 Y200K152-L191 HydrophobicContact CB-CD1 4.31Å; L191-E198 HydrophobicContact CB-CB 4.47Å; L191-E198 WeakPolarHBondContact CB-O 3.48Å; L191-E198 PolarHBondContact N-O 3.37Å; L191-Y200 HydrophobicContact CD1-CD1 4.5Å
192G73.7Confident82.4Confident32 Ų3263 Ų6333%0.3335%0.351SS..SBendtrans-161.7-136.3-177.800000112.1A194 E198G192-A194 PolarHBondContact O-N 2.93Å; G192-E198 WeakPolarHBondContact CA-OE2 3.32Å
193D68.5Low82.7Confident149 Ų14962.4 Ų62.480%0.79735%0.351SS*.SBendtrans-80.124.3-172.6-68.1-27.7000113.5E195 E198D193-E195 VanDerWaalsContact C-N 3.27Å; D193-E195 PolarHBondContact O-N 2.76Å; D193-E198 PolarHBondContact N-OE2 3.36Å
194A71.3Confident83.1Confident53 Ų5362.8 Ų62.844%0.43835%0.349SS..SBendtrans60.429.1179.200000114.9L190 G192 I199L190-A194 HydrophobicContact CD2-CB 3.87Å; G192-A194 PolarHBondContact O-N 2.93Å; A194-I199 HydrophobicContact CB-CD1 4.41Å; A194-I199 HydrophobicContact CB-CG1 4.49Å; A194-I199 WeakPolarHBondContact O-CD1 3.22Å
195E77.2Confident83.4Confident124 Ų12457.9 Ų57.958%0.57931%0.308SS*.  trans-70.5157.1162.7-61.6-166.7165.300110.7D193 E197 E198 I199D193-E195 VanDerWaalsContact C-N 3.27Å; D193-E195 PolarHBondContact O-N 2.76Å; E195-E197 PolarHBondContact O-N 3.08Å; E195-E197 VanDerWaalsContact O-N 3.16Å; E195-E198 HydrophobicContact CB-CB 4.49Å; E195-E198 HydrophobicContact CB-CG 4.41Å; E195-E198 CarbonylContact O-C 3.51Å; E195-E198 WeakPolarHBondContact O-CA 3.48Å; E195-E198 PolarHBondContact O-N 3.37Å; E195-I199 WeakPolarHBondContact O-CG1 3.38Å; E195-I199 PolarHBondContact O-N 2.89Å
196E77.4Confident83.9Confident161 Ų16151 Ų5175%0.75228%0.277SS*.G310 helixtrans-59.6-31.4-176.2-171.7177.7177.200113.1K152 E198K152-E196 PolarHBondContact NZ-O 2.82Å; E196-E198 VanDerWaalsContact C-N 3.27Å
197E76.5Confident84.2Confident126 Ų12653.8 Ų53.859%0.58928%0.284SS*.G310 helixtrans-75.9-15.1175.2-62.1-173.6179.900113.1K152 E195K152-E197 WeakPolarHBondContact CB-O 3.43Å; K152-E197 PolarHBondContact N-O 2.9Å; E195-E197 PolarHBondContact O-N 3.08Å; E195-E197 VanDerWaalsContact O-N 3.16Å
198E77.9Confident84.4Confident47 Ų4753.5 Ų53.522%0.2228%0.283CS..G310 helixtrans-1127.2-179.7-59.6-173.8147.100111.9L191 G192 D193 E195 E196L191-E198 HydrophobicContact CB-CB 4.47Å; L191-E198 WeakPolarHBondContact CB-O 3.48Å; L191-E198 PolarHBondContact N-O 3.37Å; G192-E198 WeakPolarHBondContact CA-OE2 3.32Å; D193-E198 PolarHBondContact N-OE2 3.36Å; E195-E198 HydrophobicContact CB-CB 4.49Å; E195-E198 HydrophobicContact CB-CG 4.41Å; E195-E198 CarbonylContact O-C 3.51Å; E195-E198 WeakPolarHBondContact O-CA 3.48Å; E195-E198 PolarHBondContact O-N 3.37Å; E196-E198 VanDerWaalsContact C-N 3.27Å
199I83.2Confident84.6Confident42 Ų4253.4 Ų53.422%0.21528%0.282CS..EExtended strand (participates in β ladder)trans-106.9119.3170.1-65.1168.4000108.3K152 S188 L189 L190 A194 E195K152-I199 WeakPolarHBondContact CD-O 3.35Å; K152-I199 PolarHBondContact NZ-O 2.85Å; S188-I199 VanDerWaalsContact CB-CG2 3.5Å; L189-I199 WeakPolarHBondContact O-CA 3.03Å; L190-I199 HydrophobicContact CD2-CG1 3.81Å; A194-I199 HydrophobicContact CB-CD1 4.41Å; A194-I199 HydrophobicContact CB-CG1 4.49Å; A194-I199 WeakPolarHBondContact O-CD1 3.22Å; E195-I199 WeakPolarHBondContact O-CG1 3.38Å; E195-I199 PolarHBondContact O-N 2.89Å
200Y88.3Confident84.9Confident3 Ų354 Ų541%0.01229%0.287CS..EExtended strand (participates in β ladder)trans-112.6113.8178.3-168.9-166.3000110.4K152 L155 R156 S188 L189 L191 E204 L205 D208K152-Y200 HydrophobicContact CD-CD2 4.16Å; K152-Y200 HydrophobicContact CG-CD2 4.16Å; K152-Y200 HydrophobicContact CG-CG 4.46Å; L155-Y200 HydrophobicContact CD2-CD1 4.01Å; L155-Y200 HydrophobicContact CD2-CE1 3.23Å; L155-Y200 HydrophobicContact CG-CE1 4.49Å; R156-Y200 HydrophobicContact CG-CE2 4.04Å; S188-Y200 WeakPolarHBondContact CA-O 3.34Å; L189-Y200 PolarHBondContact N-O 3.14Å; L189-Y200 PolarHBondContact O-N 2.75Å; L191-Y200 HydrophobicContact CD1-CD1 4.5Å; Y200-E204 HydrophobicContact CD2-CB 4.01Å; Y200-E204 HydrophobicContact CE2-CB 3.71Å; Y200-L205 HydrophobicContact CD1-CB 4.46Å; Y200-L205 HydrophobicContact CE1-CB 3.84Å; Y200-L205 HydrophobicContact CE1-CD1 3.72Å; Y200-L205 HydrophobicContact CE1-CG 4.25Å; Y200-L205 HydrophobicContact CE2-CB 4.06Å; Y200-L205 WeakPolarHBondContact OH-CA 3.46Å; Y200-D208 PolarHBondContact OH-OD2 3.03Å
201N91.3Very high85.4Confident15 Ų1556.2 Ų56.28%0.0830%0.299CS..EExtended strand (participates in β ladder)trans-70.8140.6-178.4-170.1-69.7000110.4H185 L203 E204 L205H185-N201 PolarHBondContact O-ND2 2.93Å; N201-L203 VanDerWaalsContact C-N 3.26Å; N201-L203 PolarHBondContact O-N 3.5Å; N201-L203 WeakPolarHBondContact OD1-CB 3.48Å; N201-L203 PolarHBondContact OD1-N 3.38Å; N201-E204 HydrophobicContact CB-CB 4.2Å; N201-E204 HydrophobicContact CB-CG 3.85Å; N201-E204 WeakPolarHBondContact CB-OE2 3.28Å; N201-E204 PolarHBondContact N-OE2 3.31Å; N201-E204 VanDerWaalsContact N-OE2 3.12Å; N201-E204 WeakPolarHBondContact O-CB 3.47Å; N201-E204 PolarHBondContact O-N 3.24Å; N201-E204 VanDerWaalsContact O-N 3.09Å; N201-L205 PolarHBondContact O-N 3.16Å
202L91.1Very high86.1Confident9 Ų953.8 Ų53.85%0.04729%0.287CS..Hα-helixtrans-59-38.9178.5175.962.8000112.1L187 E204 L205 L206 A228 A229L187-L202 HydrophobicContact CB-CB 4.41Å; L187-L202 HydrophobicContact CB-CD2 4.43Å; L187-L202 HydrophobicContact CD2-CD2 4.01Å; L187-L202 WeakPolarHBondContact O-CB 3.4Å; L187-L202 PolarHBondContact O-N 3.35Å; L202-E204 VanDerWaalsContact C-N 3.32Å; L202-L205 PolarHBondContact O-N 2.89Å; L202-L206 HydrophobicContact CD1-CG 4.42Å; L202-L206 WeakPolarHBondContact O-CG 3.35Å; L202-L206 PolarHBondContact O-N 3.29Å; L202-A228 HydrophobicContact CD2-CB 4.31Å; L202-A229 HydrophobicContact CD1-CB 3.65Å; L202-A229 HydrophobicContact CD2-CB 3.75Å; L202-A229 HydrophobicContact CG-CB 4.22Å
203L91.6Very high86.6Confident99 Ų9957.7 Ų57.752%0.51830%0.297SS..Hα-helixtrans-66.8-34.8177.5-63.1177.6000111.9N201 L206 D207N201-L203 VanDerWaalsContact C-N 3.26Å; N201-L203 PolarHBondContact O-N 3.5Å; N201-L203 WeakPolarHBondContact OD1-CB 3.48Å; N201-L203 PolarHBondContact OD1-N 3.38Å; L203-L206 PolarHBondContact O-N 2.98Å; L203-D207 WeakPolarHBondContact O-CB 3.18Å; L203-D207 PolarHBondContact O-N 3.39Å
204E93.1Very high87.2Confident56 Ų5650.8 Ų50.826%0.26226%0.261SS..Hα-helixtrans-64.8-44.3173.2-68.5177.9127.500111R156 Y200 N201 L202 L206 D207 D208R156-E204 IonicContact NH1-OE1 3.51Å; R156-E204 PolarHBondContact NH1-OE1 3.28Å; Y200-E204 HydrophobicContact CD2-CB 4.01Å; Y200-E204 HydrophobicContact CE2-CB 3.71Å; N201-E204 HydrophobicContact CB-CB 4.2Å; N201-E204 HydrophobicContact CB-CG 3.85Å; N201-E204 WeakPolarHBondContact CB-OE2 3.28Å; N201-E204 PolarHBondContact N-OE2 3.31Å; N201-E204 VanDerWaalsContact N-OE2 3.12Å; N201-E204 WeakPolarHBondContact O-CB 3.47Å; N201-E204 PolarHBondContact O-N 3.24Å; N201-E204 VanDerWaalsContact O-N 3.09Å; L202-E204 VanDerWaalsContact C-N 3.32Å; E204-L206 VanDerWaalsContact C-N 3.31Å; E204-L206 PolarHBondContact O-N 3.38Å; E204-D207 PolarHBondContact O-N 3.45Å; E204-D208 WeakPolarHBondContact O-CB 3.06Å; E204-D208 VanDerWaalsContact O-CG 3.22Å; E204-D208 PolarHBondContact O-N 2.8Å
205L92.5Very high87.6Confident2 Ų252.7 Ų52.71%0.0126%0.259CS..Hα-helixtrans-59.6-42.3175.6172.261.9000112.3I159 V176 L189 Y200 N201 L202 D208 L209 L219I159-L205 HydrophobicContact CD1-CD1 3.86Å; V176-L205 HydrophobicContact CG2-CD2 4.2Å; L189-L205 HydrophobicContact CD1-CD2 4.01Å; Y200-L205 HydrophobicContact CD1-CB 4.46Å; Y200-L205 HydrophobicContact CE1-CB 3.84Å; Y200-L205 HydrophobicContact CE1-CD1 3.72Å; Y200-L205 HydrophobicContact CE1-CG 4.25Å; Y200-L205 HydrophobicContact CE2-CB 4.06Å; Y200-L205 WeakPolarHBondContact OH-CA 3.46Å; N201-L205 PolarHBondContact O-N 3.16Å; L202-L205 PolarHBondContact O-N 2.89Å; L205-D208 PolarHBondContact O-N 3.44Å; L205-L209 HydrophobicContact CD1-CD1 4.09Å; L205-L209 HydrophobicContact CD1-CG 4.4Å; L205-L209 HydrophobicContact CG-CD1 4.4Å; L205-L209 WeakPolarHBondContact O-CG 2.96Å; L205-L209 PolarHBondContact O-N 3.37Å; L205-L219 HydrophobicContact CD2-CD1 4.26Å
206L94.5Very high87.9Confident9 Ų947.2 Ų47.25%0.04723%0.233CC..Hα-helixtrans-65.5-45.5175.5-64.7-176.9000110.7L202 L203 E204 D208 L209 A210 L219 A232 L233 H239L202-L206 HydrophobicContact CD1-CG 4.42Å; L202-L206 WeakPolarHBondContact O-CG 3.35Å; L202-L206 PolarHBondContact O-N 3.29Å; L203-L206 PolarHBondContact O-N 2.98Å; E204-L206 VanDerWaalsContact C-N 3.31Å; E204-L206 PolarHBondContact O-N 3.38Å; L206-D208 VanDerWaalsContact C-N 3.26Å; L206-D208 PolarHBondContact O-N 2.88Å; L206-L209 CarbonylContact O-C 3.59Å; L206-L209 PolarHBondContact O-N 3.2Å; L206-A210 PolarHBondContact O-N 3.48Å; L206-A210 VanDerWaalsContact O-N 3.08Å; L206-L219 HydrophobicContact CD2-CD2 3.8Å; L206-A232 HydrophobicContact CD1-CB 3.77Å; L206-L233 HydrophobicContact CD1-CG 4.43Å; L206-L233 HydrophobicContact CD2-CD1 4.04Å; L206-L233 HydrophobicContact CD2-CD2 3.94Å; L206-L233 HydrophobicContact CD2-CG 3.96Å; L206-H239 PolarHBondContact O-NE2 3.18Å
207D94.4Very high88.5Confident90 Ų9039.5 Ų39.548%0.48120%0.198SC..Hα-helixtrans-59.8-35.7177.3-81.1-25.5000113L203 E204 L209 A210 R238L203-D207 WeakPolarHBondContact O-CB 3.18Å; L203-D207 PolarHBondContact O-N 3.39Å; E204-D207 PolarHBondContact O-N 3.45Å; D207-L209 VanDerWaalsContact C-N 3.3Å; D207-L209 PolarHBondContact O-N 3.4Å; D207-A210 VanDerWaalsContact O-CB 3.22Å; D207-A210 WeakPolarHBondContact O-CB 3.48Å; D207-A210 PolarHBondContact O-N 2.84Å; D207-R238 IonicContact OD1-NH1 3.59Å
208D93.6Very high89.2Confident6 Ų633.5 Ų33.53%0.03217%0.169CC..Hα-helixtrans-72-24.7177.5-68.3-2.6000112.5R156 I159 H160 Y200 E204 L205 L206R156-D208 WeakPolarHBondContact CB-OD2 3.34Å; R156-D208 WeakPolarHBondContact CD-OD2 3.26Å; R156-D208 WeakPolarHBondContact CG-OD2 3.49Å; R156-D208 IonicContact CZ-OD1 2.78Å; R156-D208 IonicContact CZ-OD2 2.87Å; R156-D208 IonicContact NE-OD1 3.54Å; R156-D208 PolarHBondContact NE-OD1 3.43Å; R156-D208 IonicContact NE-OD2 3Å; R156-D208 PolarHBondContact NE-OD2 2.97Å; R156-D208 IonicContact NH2-OD1 3.4Å; R156-D208 PolarHBondContact NH2-OD1 2.85Å; R156-D208 IonicContact NH2-OD2 3.14Å; I159-D208 HydrophobicContact CG2-CB 4.17Å; I159-D208 WeakPolarHBondContact CG2-O 3.18Å; H160-D208 IonicContact CE1-OD1 3.34Å; H160-D208 IonicContact NE2-OD1 2.64Å; H160-D208 PolarHBondContact NE2-OD1 2.9Å; Y200-D208 PolarHBondContact OH-OD2 3.03Å; E204-D208 WeakPolarHBondContact O-CB 3.06Å; E204-D208 VanDerWaalsContact O-CG 3.22Å; E204-D208 PolarHBondContact O-N 2.8Å; L205-D208 PolarHBondContact O-N 3.44Å; L206-D208 VanDerWaalsContact C-N 3.26Å; L206-D208 PolarHBondContact O-N 2.88Å
209L94.1Very high89.9Confident0 Ų031.3 Ų31.30%016%0.159CC..Hα-helixtrans-90.2-3.5173.5-66.3174.3000113.4I159 L172 V174 L205 L206 D207 C212 V217 L219I159-L209 HydrophobicContact CG2-CD2 3.66Å; I159-L209 HydrophobicContact CG2-CG 4.37Å; L172-L209 HydrophobicContact CD2-CD2 4.2Å; V174-L209 HydrophobicContact CG2-CD2 4.15Å; L205-L209 HydrophobicContact CD1-CD1 4.09Å; L205-L209 HydrophobicContact CD1-CG 4.4Å; L205-L209 HydrophobicContact CG-CD1 4.4Å; L205-L209 WeakPolarHBondContact O-CG 2.96Å; L205-L209 PolarHBondContact O-N 3.37Å; L206-L209 CarbonylContact O-C 3.59Å; L206-L209 PolarHBondContact O-N 3.2Å; D207-L209 VanDerWaalsContact C-N 3.3Å; D207-L209 PolarHBondContact O-N 3.4Å; L209-C212 WeakPolarHBondContact O-CB 3.45Å; L209-V217 HydrophobicContact CD2-CG1 4.17Å; L209-L219 HydrophobicContact CD1-CD1 3.98Å; L209-L219 HydrophobicContact CD1-CD2 4.19Å
210A94.4Very high90.3Very high14 Ų1429.5 Ų29.512%0.11615%0.15CC..THydrogen-bonded Turntrans-68.9138.4-178.200000111.4L206 D207 C212 R238L206-A210 PolarHBondContact O-N 3.48Å; L206-A210 VanDerWaalsContact O-N 3.08Å; D207-A210 VanDerWaalsContact O-CB 3.22Å; D207-A210 WeakPolarHBondContact O-CB 3.48Å; D207-A210 PolarHBondContact O-N 2.84Å; A210-C212 PolarHBondContact O-N 3.19Å; A210-C212 VanDerWaalsContact O-N 3.08Å; A210-R238 HydrophobicContact CB-CB 4.02Å
211D92.8Very high90.5Very high86 Ų8629.3 Ų29.346%0.4615%0.149SC..THydrogen-bonded Turntrans57.521.6177.8-51.6-57.6000114.7Q213 R238D211-Q213 PolarHBondContact O-N 3.11Å; D211-Q213 PolarHBondContact O-NE2 2.87Å; D211-R238 PolarHBondContact N-O 3.03Å; D211-R238 IonicContact OD2-CZ 2.77Å; D211-R238 VanDerWaalsContact OD2-CZ 3.27Å; D211-R238 IonicContact OD2-NE 3.34Å; D211-R238 PolarHBondContact OD2-NE 2.61Å; D211-R238 IonicContact OD2-NH2 2.77Å; D211-R238 PolarHBondContact OD2-NH2 3.28Å
212C90.6Very high90.5Very high7 Ų728.8 Ų28.85%0.04715%0.146CC..  trans-56.9133.2179.8-171.90000112.1C163 L209 A210 A214 V217 N241C163-C212 WeakPolarHBondContact CA-SG 3.48Å; C163-C212 HydrophobicContact CB-CB 3.74Å; C163-C212 WeakPolarHBondContact CB-SG 3.25Å; C163-C212 WeakPolarHBondContact SG-CB 3.47Å; C163-C212 CovalentContact SG-SG 2.05Å; C163-C212 PolarHBondContact SG-SG 3.3Å; L209-C212 WeakPolarHBondContact O-CB 3.45Å; A210-C212 PolarHBondContact O-N 3.19Å; A210-C212 VanDerWaalsContact O-N 3.08Å; C212-A214 VanDerWaalsContact C-N 3.31Å; C212-A214 PolarHBondContact O-N 3.28Å; C212-V217 HydrophobicContact CB-CG2 4.13Å; C212-N241 PolarHBondContact O-ND2 3.45Å
213Q83.7Confident90.3Very high113 Ų11328.5 Ų28.553%0.52815%0.145SC..  trans-80-7.1-175.7-58.8-60.9-56.500114.3C163 L166 D211C163-Q213 WeakPolarHBondContact O-CB 3.42Å; C163-Q213 WeakPolarHBondContact O-CG 3.39Å; C163-Q213 PolarHBondContact O-N 2.64Å; L166-Q213 HydrophobicContact CD2-CG 4.14Å; D211-Q213 PolarHBondContact O-N 3.11Å; D211-Q213 PolarHBondContact O-NE2 2.87Å
214A82.5Confident90.1Very high5 Ų525.1 Ų25.14%0.04113%0.129CC..SBendtrans-58.5142.7173.700000110.5V169 L172 C212 Q216 V217 N241V169-A214 HydrophobicContact CB-CB 4.44Å; V169-A214 HydrophobicContact CG1-CB 3.94Å; V169-A214 WeakPolarHBondContact O-CA 3.42Å; L172-A214 HydrophobicContact CB-CB 4.19Å; C212-A214 VanDerWaalsContact C-N 3.31Å; C212-A214 PolarHBondContact O-N 3.28Å; A214-Q216 PolarHBondContact O-N 2.71Å; A214-V217 HydrophobicContact CB-CG2 4.06Å; A214-N241 PolarHBondContact O-ND2 2.91Å
215K78.2Confident90Very high92 Ų9225.7 Ų25.740%0.413%0.13SC..SBendtrans-64.1-32.5178.1-66.8176.7178.9145.80111.4D170 Q344 N345D170-K215 WeakPolarHBondContact O-CA 3.49Å; D170-K215 VanDerWaalsContact O-CB 3.32Å; D170-K215 WeakPolarHBondContact O-CB 3.28Å; D170-K215 PolarHBondContact O-N 3.02Å; D170-K215 WeakPolarHBondContact OD1-CD 3.42Å; D170-K215 WeakPolarHBondContact OD1-CE 3.38Å; D170-K215 IonicContact OD1-NZ 3.78Å; D170-K215 PolarHBondContact OD1-NZ 3.19Å; K215-Q344 VanDerWaalsContact NZ-CB 3.31Å; K215-N345 WeakPolarHBondContact CE-OD1 3.46Å; K215-N345 PolarHBondContact NZ-OD1 2.91Å
216Q85.1Confident90Very high9 Ų925.6 Ų25.64%0.04213%0.129CC..EExtended strand (participates in β ladder)trans-142.1137.9177.6-60.1-175.4-43.700110.8D170 V171 L172 A214 Y218D170-Q216 PolarHBondContact O-N 2.93Å; D170-Q216 VanDerWaalsContact O-N 3.08Å; V171-Q216 WeakPolarHBondContact CA-O 3.45Å; V171-Q216 HydrophobicContact CG1-CB 4.46Å; V171-Q216 HydrophobicContact CG2-CB 4.31Å; L172-Q216 PolarHBondContact N-O 2.9Å; A214-Q216 PolarHBondContact O-N 2.71Å; Q216-Y218 HydrophobicContact CB-CE2 4.24Å
217V89.7Confident90Very high0 Ų025.3 Ų25.30%013%0.128CC..EExtended strand (participates in β ladder)trans-121.6118.5172.4-179.10000108.1L172 L209 C212 A214 N241 V242 I243L172-V217 HydrophobicContact CB-CG2 4.35Å; L172-V217 HydrophobicContact CD2-CG1 4.47Å; L172-V217 HydrophobicContact CG-CG1 4.48Å; L172-V217 CarbonylContact O-C 3.04Å; L172-V217 VanDerWaalsContact O-CA 3.25Å; L172-V217 WeakPolarHBondContact O-CA 3.44Å; L209-V217 HydrophobicContact CD2-CG1 4.17Å; C212-V217 HydrophobicContact CB-CG2 4.13Å; A214-V217 HydrophobicContact CB-CG2 4.06Å; V217-N241 PolarHBondContact N-O 3Å; V217-V242 HydrophobicContact CB-CB 4.46Å; V217-V242 HydrophobicContact CB-CG2 4Å; V217-V242 HydrophobicContact CG1-CG1 4.42Å; V217-V242 HydrophobicContact CG1-CG2 4.24Å; V217-V242 CarbonylContact O-C 3.59Å; V217-V242 WeakPolarHBondContact O-CA 3.48Å; V217-I243 PolarHBondContact O-N 2.91Å
218Y90.9Very high89.9Confident0 Ų022.3 Ų22.30%012%0.116CC..EExtended strand (participates in β ladder)trans-95.8116.8170.7-68.7-88.5000108.7V171 L172 A173 V174 Q216 I243 F273 T319V171-Y218 HydrophobicContact CG1-CD2 3.52Å; V171-Y218 HydrophobicContact CG1-CE2 3.58Å; L172-Y218 PolarHBondContact O-N 3.44Å; A173-Y218 CarbonylContact C-O 3.4Å; A173-Y218 WeakPolarHBondContact CA-O 3.34Å; V174-Y218 PolarHBondContact N-O 2.85Å; Q216-Y218 HydrophobicContact CB-CE2 4.24Å; Y218-I243 WeakPolarHBondContact CA-O 3.39Å; Y218-I243 HydrophobicContact CD1-CB 4.13Å; Y218-I243 HydrophobicContact CD1-CD1 3.77Å; Y218-I243 HydrophobicContact CD1-CG2 4.34Å; Y218-I243 HydrophobicContact CE1-CB 4.35Å; Y218-I243 HydrophobicContact CE1-CD1 3.29Å; Y218-I243 HydrophobicContact CE1-CG1 4.45Å; Y218-I243 HydrophobicContact CE1-CG2 4.43Å; Y218-I243 HydrophobicContact CE2-CD1 4.18Å; Y218-I243 HydrophobicContact CG-CD1 4.38Å; Y218-F273 HydrophobicContact CD1-CD1 4.27Å; Y218-F273 HydrophobicContact CD1-CD2 4.22Å; Y218-F273 AromaticContact CD1-CE1 3.89Å; Y218-F273 HydrophobicContact CD1-CE1 3.89Å; Y218-F273 AromaticContact CD1-CE2 3.85Å; Y218-F273 HydrophobicContact CD1-CE2 3.85Å; Y218-F273 HydrophobicContact CD1-CG 4.4Å; Y218-F273 AromaticContact CD1-CZ 3.65Å; Y218-F273 HydrophobicContact CD1-CZ 3.65Å; Y218-F273 HydrophobicContact CE1-CB 4.32Å; Y218-F273 AromaticContact CE1-CD1 3.61Å; Y218-F273 HydrophobicContact CE1-CD1 3.61Å; Y218-F273 AromaticContact CE1-CD2 3.75Å; Y218-F273 HydrophobicContact CE1-CD2 3.75Å; Y218-F273 AromaticContact CE1-CE1 3.7Å; Y218-F273 HydrophobicContact CE1-CE1 3.7Å; Y218-F273 AromaticContact CE1-CE2 3.85Å; Y218-F273 HydrophobicContact CE1-CE2 3.85Å; Y218-F273 AromaticContact CE1-CG 3.61Å; Y218-F273 HydrophobicContact CE1-CG 3.61Å; Y218-F273 AromaticContact CE1-CZ 3.82Å; Y218-F273 HydrophobicContact CE1-CZ 3.82Å; Y218-T319 PolarHBondContact OH-O 3.03Å
219L93.4Very high89.9Confident0 Ų022 Ų220%011%0.114CC..EExtended strand (participates in β ladder)trans-106.7102.4173.5179.961.6000108.6V174 L205 L206 L209 L221 L233 V242 I243 A244 V245V174-L219 HydrophobicContact CB-CD1 4.08Å; V174-L219 HydrophobicContact CG1-CD1 4.06Å; L205-L219 HydrophobicContact CD2-CD1 4.26Å; L206-L219 HydrophobicContact CD2-CD2 3.8Å; L209-L219 HydrophobicContact CD1-CD1 3.98Å; L209-L219 HydrophobicContact CD1-CD2 4.19Å; L219-L221 HydrophobicContact CD1-CD2 3.73Å; L219-L221 HydrophobicContact CD1-CG 4.29Å; L219-L221 HydrophobicContact CD2-CD1 4.18Å; L219-L221 HydrophobicContact CD2-CD2 4.44Å; L219-L221 HydrophobicContact CD2-CG 4.46Å; L219-L221 HydrophobicContact CG-CD1 4.19Å; L219-L221 HydrophobicContact CG-CD2 3.93Å; L219-L221 HydrophobicContact CG-CG 3.95Å; L219-L233 HydrophobicContact CD2-CD1 4.1Å; L219-V242 HydrophobicContact CB-CG1 4.06Å; L219-I243 PolarHBondContact N-O 3.16Å; L219-A244 HydrophobicContact CB-CB 4.43Å; L219-A244 CarbonylContact O-C 3.51Å; L219-A244 VanDerWaalsContact O-CA 3.31Å; L219-A244 WeakPolarHBondContact O-CA 3.29Å; L219-V245 PolarHBondContact O-N 2.8Å
220I91.6Very high89.9Confident4 Ų422.8 Ų22.82%0.02112%0.119CC..EExtended strand (participates in β ladder)trans-106.9117-177.7-57.2158.9000108.4V174 F175 V176 V245 F259 F263V174-I220 PolarHBondContact O-N 2.78Å; F175-I220 CarbonylContact C-O 3.4Å; F175-I220 WeakPolarHBondContact CA-O 3.06Å; F175-I220 HydrophobicContact CD2-CB 3.63Å; F175-I220 HydrophobicContact CD2-CD1 3.99Å; F175-I220 HydrophobicContact CD2-CG1 4.44Å; F175-I220 HydrophobicContact CD2-CG2 3.44Å; F175-I220 VanDerWaalsContact CD2-CG2 3.44Å; F175-I220 HydrophobicContact CE2-CB 4.16Å; F175-I220 HydrophobicContact CE2-CG2 3.41Å; F175-I220 VanDerWaalsContact CE2-CG2 3.41Å; F175-I220 HydrophobicContact CG-CB 4.42Å; F175-I220 HydrophobicContact CG-CG2 4.49Å; F175-I220 HydrophobicContact CZ-CG2 4.45Å; V176-I220 PolarHBondContact N-O 2.88Å; I220-V245 HydrophobicContact CG1-CB 4.41Å; I220-V245 HydrophobicContact CG2-CB 4.49Å; I220-F259 HydrophobicContact CG2-CE1 3.71Å; I220-F259 HydrophobicContact CG2-CZ 4.06Å; I220-F263 HydrophobicContact CD1-CE1 3.99Å; I220-F263 HydrophobicContact CD1-CE2 4.09Å; I220-F263 HydrophobicContact CD1-CZ 3.47Å; I220-F263 VanDerWaalsContact CD1-CZ 3.47Å; I220-F263 HydrophobicContact CG1-CZ 4.41Å
221L92.4Very high89.8Confident0 Ų027.8 Ų27.80%014%0.14CC..EExtended strand (participates in β ladder)trans-116.8103-169.6-60.3172.7000110.2V176 L219 S226 A229 V245 S246 S247V176-L221 HydrophobicContact CB-CD2 3.82Å; V176-L221 HydrophobicContact CG1-CD2 4.49Å; V176-L221 HydrophobicContact CG2-CD2 3.83Å; L219-L221 HydrophobicContact CD1-CD2 3.73Å; L219-L221 HydrophobicContact CD1-CG 4.29Å; L219-L221 HydrophobicContact CD2-CD1 4.18Å; L219-L221 HydrophobicContact CD2-CD2 4.44Å; L219-L221 HydrophobicContact CD2-CG 4.46Å; L219-L221 HydrophobicContact CG-CD1 4.19Å; L219-L221 HydrophobicContact CG-CD2 3.93Å; L219-L221 HydrophobicContact CG-CG 3.95Å; L221-S226 WeakPolarHBondContact O-CB 3.42Å; L221-A229 HydrophobicContact CD1-CB 3.2Å; L221-V245 WeakPolarHBondContact CB-O 3.35Å; L221-V245 PolarHBondContact N-O 2.84Å; L221-S246 CarbonylContact O-C 3.58Å; L221-S246 WeakPolarHBondContact O-CA 3.48Å; L221-S247 PolarHBondContact O-N 2.76Å; L221-S247 PolarHBondContact O-OG 3.12Å
222D89.7Confident89.8Confident3 Ų325.3 Ų25.32%0.01613%0.131CC..EExtended strand (participates in β ladder)trans-104.675.4170.8-166.58.9000112.4V176 H177 S247 S254 F259 T260V176-D222 PolarHBondContact O-N 3.48Å; H177-D222 IonicContact CE1-OD2 2.78Å; H177-D222 PolarHBondContact ND1-O 2.77Å; H177-D222 IonicContact ND1-OD2 3.59Å; H177-D222 PolarHBondContact ND1-OD2 2.78Å; D222-S247 WeakPolarHBondContact CA-OG 3.25Å; D222-S247 WeakPolarHBondContact OD1-CB 3.27Å; D222-S247 PolarHBondContact OD1-OG 2.86Å; D222-S254 PolarHBondContact OD1-OG 3.22Å; D222-F259 HydrophobicContact CB-CD1 3.73Å; D222-F259 HydrophobicContact CB-CE1 4.36Å; D222-T260 WeakPolarHBondContact OD2-CB 3.16Å; D222-T260 PolarHBondContact OD2-N 2.89Å; D222-T260 VanDerWaalsContact OD2-N 3.07Å; D222-T260 PolarHBondContact OD2-OG1 3.18Å
223H88.5Confident90Very high3 Ų325 Ų251%0.01413%0.129CC..SBendtrans-146.8166.2173.864.686.5000111A178 A180 L189 S226 S247A178-H223 WeakPolarHBondContact O-CB 3.37Å; A180-H223 HydrophobicContact CB-CB 4.04Å; L189-H223 HydrophobicContact CD2-CB 4.35Å; H223-S226 WeakPolarHBondContact CE1-CA 3.38Å; H223-S226 WeakPolarHBondContact O-CB 3.42Å; H223-S226 PolarHBondContact O-N 3.18Å; H223-S226 PolarHBondContact O-OG 3.4Å; H223-S247 PolarHBondContact N-OG 3.31Å; H223-S247 PolarHBondContact O-OG 3.31Å
224S87.1Confident90.3Very high28 Ų2823.1 Ų23.120%0.19613%0.133CC..THydrogen-bonded Turntrans-61.6140.7173.7-68.50000111.3A180 S226 S254A180-S224 WeakPolarHBondContact CB-O 3.42Å; S224-S226 PolarHBondContact O-N 3.46Å; S224-S254 PolarHBondContact OG-N 3.14Å
225Y90.6Very high90.6Very high69 Ų6927.8 Ų27.827%0.27117%0.165SC..THydrogen-bonded Turntrans63.319-179.7-39.6-69000114.2H182 L187 G227 A228 A250 Q252H182-Y225 AromaticContact CD2-CD2 3.98Å; H182-Y225 AromaticContact CD2-CE2 3.98Å; H182-Y225 AromaticContact NE2-CD2 3.57Å; H182-Y225 AromaticContact NE2-CE2 3.94Å; H182-Y225 AromaticContact NE2-CG 3.7Å; L187-Y225 HydrophobicContact CD1-CD2 4.07Å; L187-Y225 WeakPolarHBondContact CD2-O 3.37Å; Y225-G227 PolarHBondContact O-N 3.09Å; Y225-G227 VanDerWaalsContact O-N 3.13Å; Y225-A228 VanDerWaalsContact O-CB 3.28Å; Y225-A228 WeakPolarHBondContact O-CB 3.48Å; Y225-A228 PolarHBondContact O-N 2.8Å; Y225-A250 WeakPolarHBondContact CB-O 3.31Å; Y225-Q252 WeakPolarHBondContact CA-O 3.3Å; Y225-Q252 PolarHBondContact N-O 2.78Å
226S92.8Very high91.3Very high0 Ų024.9 Ų24.90%016%0.157CC..THydrogen-bonded Turntrans-57.2-27.8-17747.80000114.5L221 H223 S224 A228 A229 S246 S247 A248L221-S226 WeakPolarHBondContact O-CB 3.42Å; H223-S226 WeakPolarHBondContact CE1-CA 3.38Å; H223-S226 WeakPolarHBondContact O-CB 3.42Å; H223-S226 PolarHBondContact O-N 3.18Å; H223-S226 PolarHBondContact O-OG 3.4Å; S224-S226 PolarHBondContact O-N 3.46Å; S226-A228 PolarHBondContact O-N 2.83Å; S226-A228 VanDerWaalsContact O-N 3.12Å; S226-A229 WeakPolarHBondContact O-CB 3.33Å; S226-A229 PolarHBondContact O-N 2.95Å; S226-A229 VanDerWaalsContact O-N 3.1Å; S226-S246 WeakPolarHBondContact OG-CB 3.34Å; S226-S247 PolarHBondContact OG-N 2.82Å; S226-S247 PolarHBondContact OG-OG 3.3Å; S226-A248 PolarHBondContact OG-N 3.03Å; S226-A248 VanDerWaalsContact OG-N 3.17Å; S226-A248 PolarHBondContact OG-O 3Å
227G93.2Very high91.6Very high2 Ų229.8 Ų29.82%0.02119%0.187CC..Hα-helixtrans-61.1-18.4174.600000114.3Y225 A229 V230 E231 A248Y225-G227 PolarHBondContact O-N 3.09Å; Y225-G227 VanDerWaalsContact O-N 3.13Å; G227-A229 PolarHBondContact O-N 2.83Å; G227-V230 WeakPolarHBondContact O-CB 3.21Å; G227-V230 PolarHBondContact O-N 2.7Å; G227-V230 VanDerWaalsContact O-N 3.15Å; G227-E231 PolarHBondContact O-N 3.02Å; G227-A248 VanDerWaalsContact CA-O 3.22Å; G227-A248 WeakPolarHBondContact CA-O 3.35Å; G227-A248 PolarHBondContact N-O 3.32Å
228A92.8Very high91.8Very high28 Ų2834.9 Ų34.923%0.23121%0.206CC..Hα-helixtrans-60.5-33.317400000112.1L187 L202 Y225 S226 A232 A250L187-A228 HydrophobicContact CD2-CB 4.09Å; L202-A228 HydrophobicContact CD2-CB 4.31Å; Y225-A228 VanDerWaalsContact O-CB 3.28Å; Y225-A228 WeakPolarHBondContact O-CB 3.48Å; Y225-A228 PolarHBondContact O-N 2.8Å; S226-A228 PolarHBondContact O-N 2.83Å; S226-A228 VanDerWaalsContact O-N 3.12Å; A228-A232 WeakPolarHBondContact O-CB 3.49Å; A228-A232 PolarHBondContact O-N 3.33Å; A228-A250 HydrophobicContact CB-CB 4.14Å
229A93.1Very high92Very high0 Ų035.2 Ų35.20%021%0.208CC..Hα-helixtrans-69.7-41.3175.600000111.9L202 L221 S226 G227 E231 A232 L233L202-A229 HydrophobicContact CD1-CB 3.65Å; L202-A229 HydrophobicContact CD2-CB 3.75Å; L202-A229 HydrophobicContact CG-CB 4.22Å; L221-A229 HydrophobicContact CD1-CB 3.2Å; S226-A229 WeakPolarHBondContact O-CB 3.33Å; S226-A229 PolarHBondContact O-N 2.95Å; S226-A229 VanDerWaalsContact O-N 3.1Å; G227-A229 PolarHBondContact O-N 2.83Å; A229-E231 VanDerWaalsContact C-N 3.33Å; A229-E231 PolarHBondContact O-N 3.42Å; A229-A232 PolarHBondContact O-N 3.43Å; A229-L233 WeakPolarHBondContact O-CB 3.14Å; A229-L233 VanDerWaalsContact O-CG 3.29Å; A229-L233 WeakPolarHBondContact O-CG 3.48Å; A229-L233 PolarHBondContact O-N 2.78Å
230V94.4Very high91.9Very high15 Ų1539.8 Ų39.89%0.09123%0.232CC..Hα-helixtrans-61.2-44.1176.6170.40000110.3G227 L233 A234 A244 R309G227-V230 WeakPolarHBondContact O-CB 3.21Å; G227-V230 PolarHBondContact O-N 2.7Å; G227-V230 VanDerWaalsContact O-N 3.15Å; V230-L233 PolarHBondContact O-N 2.87Å; V230-A234 PolarHBondContact O-N 3.4Å; V230-A234 VanDerWaalsContact O-N 3.15Å; V230-A244 HydrophobicContact CG2-CB 4.09Å; V230-R309 HydrophobicContact CG1-CB 3.74Å
231E93.2Very high91.8Very high120 Ų12041 Ų4156%0.56124%0.239SC*.Hα-helixtrans-64.5-42.8174.8-70.7178.1-166.800112.3G227 A229 L233 A234 A250G227-E231 PolarHBondContact O-N 3.02Å; A229-E231 VanDerWaalsContact C-N 3.33Å; A229-E231 PolarHBondContact O-N 3.42Å; E231-L233 VanDerWaalsContact C-N 3.32Å; E231-L233 PolarHBondContact O-N 2.96Å; E231-A234 WeakPolarHBondContact O-CB 3.39Å; E231-A234 PolarHBondContact O-N 3.41Å; E231-A250 VanDerWaalsContact OE1-CB 3.3Å; E231-A250 WeakPolarHBondContact OE1-CB 3.49Å
232A93Very high91.9Very high34 Ų3441 Ų4128%0.28124%0.239SC..Hα-helixtrans-63.3-37.2176.700000112.6L206 A228 A229 A234 S235L206-A232 HydrophobicContact CD1-CB 3.77Å; A228-A232 WeakPolarHBondContact O-CB 3.49Å; A228-A232 PolarHBondContact O-N 3.33Å; A229-A232 PolarHBondContact O-N 3.43Å; A232-A234 VanDerWaalsContact C-N 3.32Å; A232-S235 PolarHBondContact O-OG 3.05Å
233L94.4Very high92Very high0 Ų040.9 Ų40.90%024%0.238CC..Hα-helixtrans-73.3-22.2177-74.7172.2000113.4L206 L219 A229 V230 E231 S235 S236 H239 V242 A244 R309L206-L233 HydrophobicContact CD1-CG 4.43Å; L206-L233 HydrophobicContact CD2-CD1 4.04Å; L206-L233 HydrophobicContact CD2-CD2 3.94Å; L206-L233 HydrophobicContact CD2-CG 3.96Å; L219-L233 HydrophobicContact CD2-CD1 4.1Å; A229-L233 WeakPolarHBondContact O-CB 3.14Å; A229-L233 VanDerWaalsContact O-CG 3.29Å; A229-L233 WeakPolarHBondContact O-CG 3.48Å; A229-L233 PolarHBondContact O-N 2.78Å; V230-L233 PolarHBondContact O-N 2.87Å; E231-L233 VanDerWaalsContact C-N 3.32Å; E231-L233 PolarHBondContact O-N 2.96Å; L233-S235 VanDerWaalsContact C-N 3.29Å; L233-S235 PolarHBondContact O-N 2.9Å; L233-S236 PolarHBondContact O-N 2.95Å; L233-H239 HydrophobicContact CD2-CB 3.51Å; L233-H239 WeakPolarHBondContact CD2-ND1 3.16Å; L233-V242 HydrophobicContact CD1-CG1 4.08Å; L233-A244 HydrophobicContact CD1-CB 3.39Å; L233-R309 PolarHBondContact O-NE 3.44Å; L233-R309 PolarHBondContact O-NH2 2.95Å
234A90.5Very high92.3Very high73 Ų7340.7 Ų40.760%0.60324%0.238SC*.Hα-helixtrans-64.7-32.8179.700000112.7V230 E231 A232V230-A234 PolarHBondContact O-N 3.4Å; V230-A234 VanDerWaalsContact O-N 3.15Å; E231-A234 WeakPolarHBondContact O-CB 3.39Å; E231-A234 PolarHBondContact O-N 3.41Å; A232-A234 VanDerWaalsContact C-N 3.32Å
235S87.6Confident92.7Very high104 Ų10439.4 Ų39.473%0.72723%0.228SC*.SBendtrans-97.6-4.6-179.861.70000114.1A232 L233A232-S235 PolarHBondContact O-OG 3.05Å; L233-S235 VanDerWaalsContact C-N 3.29Å; L233-S235 PolarHBondContact O-N 2.9Å
236S92.9Very high92.9Very high31 Ų3136.1 Ų36.122%0.21722%0.215CC..  trans-87.4135.1-174.4-1730000113.1L233 R238 H239L233-S236 PolarHBondContact O-N 2.95Å; S236-R238 PolarHBondContact OG-N 2.83Å; S236-H239 WeakPolarHBondContact CB-ND1 2.94Å; S236-H239 PolarHBondContact OG-CE1 3.45Å; S236-H239 PolarHBondContact OG-ND1 2.99Å
237T92Very high92.8Very high112 Ų11236.1 Ų36.169%0.68722%0.215SC*.SBendtrans-94.3-4.7174.954.90000113.7N240T237-N240 PolarHBondContact O-ND2 3.46Å; T237-N240 PolarHBondContact O-OD1 2.54Å
238R94.5Very high92.6Very high106 Ų10636 Ų3640%0.422%0.215SC..SBendtrans-95.5-0.5-176.9-59.5-176.666.9-152.1-3113.9D207 A210 D211 S236D207-R238 IonicContact OD1-NH1 3.59Å; A210-R238 HydrophobicContact CB-CB 4.02Å; D211-R238 PolarHBondContact N-O 3.03Å; D211-R238 IonicContact OD2-CZ 2.77Å; D211-R238 VanDerWaalsContact OD2-CZ 3.27Å; D211-R238 IonicContact OD2-NE 3.34Å; D211-R238 PolarHBondContact OD2-NE 2.61Å; D211-R238 IonicContact OD2-NH2 2.77Å; D211-R238 PolarHBondContact OD2-NH2 3.28Å; S236-R238 PolarHBondContact OG-N 2.83Å
239H94.7Very high92.5Very high8 Ų837 Ų374%0.03721%0.214CC..  trans-127.250-172.6-56.3102.7000111.6L206 L233 S236 N241 V242 R309L206-H239 PolarHBondContact O-NE2 3.18Å; L233-H239 HydrophobicContact CD2-CB 3.51Å; L233-H239 WeakPolarHBondContact CD2-ND1 3.16Å; S236-H239 WeakPolarHBondContact CB-ND1 2.94Å; S236-H239 PolarHBondContact OG-CE1 3.45Å; S236-H239 PolarHBondContact OG-ND1 2.99Å; H239-N241 VanDerWaalsContact C-N 3.26Å; H239-N241 PolarHBondContact O-N 3.34Å; H239-V242 HydrophobicContact CB-CB 4.03Å; H239-V242 HydrophobicContact CB-CG2 3.73Å; H239-V242 PolarHBondContact O-N 3.02Å; H239-R309 PolarHBondContact O-NH1 2.79Å
240N91.2Very high92.4Very high95 Ų9538 Ų3851%0.50822%0.222SC..THydrogen-bonded Turntrans-77.5-9.3-172.2-61.3-38.3000113.8T237 P311T237-N240 PolarHBondContact O-ND2 3.46Å; T237-N240 PolarHBondContact O-OD1 2.54Å; N240-P311 WeakPolarHBondContact O-CB 3.26Å
241N89.7Confident92.1Very high29 Ų2945 Ų4516%0.15525%0.248CC..THydrogen-bonded Turntrans-114.72.4177.357.4-20.5000112.6C212 A214 V217 H239C212-N241 PolarHBondContact O-ND2 3.45Å; A214-N241 PolarHBondContact O-ND2 2.91Å; V217-N241 PolarHBondContact N-O 3Å; H239-N241 VanDerWaalsContact C-N 3.26Å; H239-N241 PolarHBondContact O-N 3.34Å
242V93.7Very high91.8Very high1 Ų140.4 Ų40.41%0.00623%0.226CC..EExtended strand (participates in β ladder)trans-91.5122.1-177.2-1750000110.8V217 L219 L233 H239 R309V217-V242 HydrophobicContact CB-CB 4.46Å; V217-V242 HydrophobicContact CB-CG2 4Å; V217-V242 HydrophobicContact CG1-CG1 4.42Å; V217-V242 HydrophobicContact CG1-CG2 4.24Å; V217-V242 CarbonylContact O-C 3.59Å; V217-V242 WeakPolarHBondContact O-CA 3.48Å; L219-V242 HydrophobicContact CB-CG1 4.06Å; L233-V242 HydrophobicContact CD1-CG1 4.08Å; H239-V242 HydrophobicContact CB-CB 4.03Å; H239-V242 HydrophobicContact CB-CG2 3.73Å; H239-V242 PolarHBondContact O-N 3.02Å; V242-R309 PolarHBondContact O-NH1 3.42Å
243I93.1Very high91.4Very high0 Ų041.8 Ų41.80%023%0.234CC..EExtended strand (participates in β ladder)trans-101.6117.1168.6-52.5147.5000106.2V217 Y218 L219 F273 I308 R309 Y310 P311 W314V217-I243 PolarHBondContact O-N 2.91Å; Y218-I243 WeakPolarHBondContact CA-O 3.39Å; Y218-I243 HydrophobicContact CD1-CB 4.13Å; Y218-I243 HydrophobicContact CD1-CD1 3.77Å; Y218-I243 HydrophobicContact CD1-CG2 4.34Å; Y218-I243 HydrophobicContact CE1-CB 4.35Å; Y218-I243 HydrophobicContact CE1-CD1 3.29Å; Y218-I243 HydrophobicContact CE1-CG1 4.45Å; Y218-I243 HydrophobicContact CE1-CG2 4.43Å; Y218-I243 HydrophobicContact CE2-CD1 4.18Å; Y218-I243 HydrophobicContact CG-CD1 4.38Å; L219-I243 PolarHBondContact N-O 3.16Å; I243-F273 HydrophobicContact CG2-CD1 4.48Å; I243-F273 HydrophobicContact CG2-CE1 3.9Å; I243-I308 HydrophobicContact CG2-CD1 4.44Å; I243-I308 HydrophobicContact CG2-CG1 4.49Å; I243-R309 WeakPolarHBondContact CA-O 3.34Å; I243-Y310 HydrophobicContact CG2-CD1 3.83Å; I243-Y310 HydrophobicContact CG2-CE1 3.98Å; I243-P311 HydrophobicContact CG1-CG 4.48Å; I243-W314 HydrophobicContact CD1-CE3 3.93Å; I243-W314 HydrophobicContact CD1-CH2 3.28Å; I243-W314 HydrophobicContact CD1-CZ2 4.08Å; I243-W314 HydrophobicContact CD1-CZ3 3.2Å; I243-W314 HydrophobicContact CG1-CE3 4Å; I243-W314 HydrophobicContact CG1-CH2 4.16Å; I243-W314 HydrophobicContact CG1-CZ3 3.79Å
244A94.9Very high90.9Very high0 Ų042.8 Ų42.80%024%0.241CC..EExtended strand (participates in β ladder)trans-108.9131.7-177.600000110.9L219 V230 L233 I308 R309L219-A244 HydrophobicContact CB-CB 4.43Å; L219-A244 CarbonylContact O-C 3.51Å; L219-A244 VanDerWaalsContact O-CA 3.31Å; L219-A244 WeakPolarHBondContact O-CA 3.29Å; V230-A244 HydrophobicContact CG2-CB 4.09Å; L233-A244 HydrophobicContact CD1-CB 3.39Å; A244-I308 CarbonylContact O-C 3.47Å; A244-I308 VanDerWaalsContact O-CA 3.29Å; A244-I308 WeakPolarHBondContact O-CA 3.36Å; A244-R309 PolarHBondContact N-O 2.91Å; A244-R309 PolarHBondContact O-N 2.77Å
245V94Very high90.3Very high0 Ų044.7 Ų44.70%023%0.232CC..EExtended strand (participates in β ladder)trans-120.3131.7174.3-177.30000108.2L219 I220 L221 F259 F273 F277 T307 I308L219-V245 PolarHBondContact O-N 2.8Å; I220-V245 HydrophobicContact CG1-CB 4.41Å; I220-V245 HydrophobicContact CG2-CB 4.49Å; L221-V245 WeakPolarHBondContact CB-O 3.35Å; L221-V245 PolarHBondContact N-O 2.84Å; V245-F259 HydrophobicContact CG1-CE2 4.03Å; V245-F259 HydrophobicContact CG1-CZ 3.63Å; V245-F273 HydrophobicContact CG2-CE1 4.02Å; V245-F273 HydrophobicContact CG2-CZ 3.75Å; V245-F277 HydrophobicContact CB-CE2 4.49Å; V245-F277 HydrophobicContact CG1-CD2 3.89Å; V245-F277 HydrophobicContact CG1-CE2 3.31Å; V245-F277 HydrophobicContact CG1-CZ 4.14Å; V245-F277 HydrophobicContact CG2-CD2 4.39Å; V245-F277 HydrophobicContact CG2-CE2 4.42Å; V245-T307 WeakPolarHBondContact CA-O 3.41Å; V245-I308 HydrophobicContact CG2-CD1 3.81Å; V245-I308 HydrophobicContact CG2-CG1 3.99Å
246S94.4Very high89.6Confident0 Ų047.2 Ų47.20%023%0.23CC..EExtended strand (participates in β ladder)trans-118.7145.9175.557.20000110L221 S226 A248 P306 T307L221-S246 CarbonylContact O-C 3.58Å; L221-S246 WeakPolarHBondContact O-CA 3.48Å; S226-S246 WeakPolarHBondContact OG-CB 3.34Å; S246-A248 VanDerWaalsContact C-N 3.34Å; S246-A248 PolarHBondContact OG-O 3.14Å; S246-P306 CarbonylContact O-C 3.55Å; S246-P306 WeakPolarHBondContact O-CA 3.31Å; S246-P306 VanDerWaalsContact O-CB 3.26Å; S246-P306 WeakPolarHBondContact O-CB 3.29Å; S246-T307 PolarHBondContact N-O 3.44Å; S246-T307 PolarHBondContact O-N 3.37Å; S246-T307 PolarHBondContact OG-N 3.15Å; S246-T307 PolarHBondContact OG-O 3.11Å; S246-T307 PolarHBondContact OG-OG1 2.8Å
247S91.6Very high88.8Confident0 Ų046.1 Ų46.10%022%0.224CC..SBendtrans-78.1-18.5174.6620000113.8L221 D222 H223 S226 S254 F259 S304L221-S247 PolarHBondContact O-N 2.76Å; L221-S247 PolarHBondContact O-OG 3.12Å; D222-S247 WeakPolarHBondContact CA-OG 3.25Å; D222-S247 WeakPolarHBondContact OD1-CB 3.27Å; D222-S247 PolarHBondContact OD1-OG 2.86Å; H223-S247 PolarHBondContact N-OG 3.31Å; H223-S247 PolarHBondContact O-OG 3.31Å; S226-S247 PolarHBondContact OG-N 2.82Å; S226-S247 PolarHBondContact OG-OG 3.3Å; S247-S254 VanDerWaalsContact OG-CB 3.29Å; S247-S254 WeakPolarHBondContact OG-CB 3.41Å; S247-S254 PolarHBondContact OG-OG 2.92Å; S247-F259 VanDerWaalsContact CB-CB 3.45Å; S247-S304 WeakPolarHBondContact O-CB 3.47Å
248A90Very high88.2Confident0 Ų043.9 Ų43.90%021%0.206CC..SBendtrans-148.4160.6-178.100000111.7S226 G227 S246 Q252 E305S226-A248 PolarHBondContact OG-N 3.03Å; S226-A248 VanDerWaalsContact OG-N 3.17Å; S226-A248 PolarHBondContact OG-O 3Å; G227-A248 VanDerWaalsContact CA-O 3.22Å; G227-A248 WeakPolarHBondContact CA-O 3.35Å; G227-A248 PolarHBondContact N-O 3.32Å; S246-A248 VanDerWaalsContact C-N 3.34Å; S246-A248 PolarHBondContact OG-O 3.14Å; A248-Q252 HydrophobicContact CB-CB 3.91Å; A248-E305 CarbonylContact C-O 3.55Å; A248-E305 WeakPolarHBondContact CA-O 3.26Å
249K90.7Very high87.7Confident50 Ų5038.9 Ų38.922%0.21719%0.187CC..  trans-65.3166.3169.5-65177.9-179.5161.70112.2Y251 Q252 E305 T307K249-Y251 HydrophobicContact CB-CD1 4.26Å; K249-Y251 HydrophobicContact CB-CE1 3.96Å; K249-Y251 HydrophobicContact CD-CE1 3.97Å; K249-Y251 HydrophobicContact CD-CE2 4.46Å; K249-Y251 VanDerWaalsContact CD-OH 3.25Å; K249-Y251 WeakPolarHBondContact CD-OH 3.13Å; K249-Y251 PolarHBondContact O-N 3.5Å; K249-Q252 HydrophobicContact CB-CB 4.22Å; K249-Q252 HydrophobicContact CB-CG 4.01Å; K249-Q252 PolarHBondContact O-N 2.89Å; K249-E305 WeakPolarHBondContact CE-OE2 3.44Å; K249-E305 HydrophobicContact CG-CB 4.38Å; K249-E305 PolarHBondContact N-O 3.25Å; K249-E305 IonicContact NZ-OE1 2.95Å; K249-E305 PolarHBondContact NZ-OE1 2.84Å; K249-E305 IonicContact NZ-OE2 3.78Å; K249-E305 PolarHBondContact NZ-OE2 2.86Å; K249-T307 HydrophobicContact CG-CG2 3.97Å
250A90.7Very high87.2Confident20 Ų2039.2 Ų39.217%0.16519%0.19CC..THydrogen-bonded Turntrans-58.2-22.4-178.800000114.8Y225 A228 E231Y225-A250 WeakPolarHBondContact CB-O 3.31Å; A228-A250 HydrophobicContact CB-CB 4.14Å; E231-A250 VanDerWaalsContact OE1-CB 3.3Å; E231-A250 WeakPolarHBondContact OE1-CB 3.49Å
251Y87.3Confident86.5Confident163 Ų16340 Ų4064%0.63919%0.185SC*.THydrogen-bonded Turntrans-112.49179.758.9-91.8000113.3K249K249-Y251 HydrophobicContact CB-CD1 4.26Å; K249-Y251 HydrophobicContact CB-CE1 3.96Å; K249-Y251 HydrophobicContact CD-CE1 3.97Å; K249-Y251 HydrophobicContact CD-CE2 4.46Å; K249-Y251 VanDerWaalsContact CD-OH 3.25Å; K249-Y251 WeakPolarHBondContact CD-OH 3.13Å; K249-Y251 PolarHBondContact O-N 3.5Å
252Q87.6Confident86Confident23 Ų2338.6 Ų38.611%0.10718%0.178CC..SBendtrans-112.2148.3-178.5-72.9177.4-2100110.9Y225 A248 K249 H303 E305Y225-Q252 WeakPolarHBondContact CA-O 3.3Å; Y225-Q252 PolarHBondContact N-O 2.78Å; A248-Q252 HydrophobicContact CB-CB 3.91Å; K249-Q252 HydrophobicContact CB-CB 4.22Å; K249-Q252 HydrophobicContact CB-CG 4.01Å; K249-Q252 PolarHBondContact O-N 2.89Å; Q252-H303 PolarHBondContact NE2-O 3.2Å; Q252-H303 PolarHBondContact OE1-O 2.98Å; Q252-E305 PolarHBondContact NE2-OE1 3.27Å
253S84.4Confident85.4Confident63 Ų6339 Ų3944%0.44118%0.18SC..  trans-86.5148.1172.5-54.90000111.1S304S253-S304 WeakPolarHBondContact O-CB 3.35Å
254S83.3Confident84.8Confident21 Ų2145 Ų4515%0.14721%0.211CC..  trans-84.8152.1165.9-179.50000109.5D222 S224 S247D222-S254 PolarHBondContact OD1-OG 3.22Å; S224-S254 PolarHBondContact OG-N 3.14Å; S247-S254 VanDerWaalsContact OG-CB 3.29Å; S247-S254 WeakPolarHBondContact OG-CB 3.41Å; S247-S254 PolarHBondContact OG-OG 2.92Å
255W77.7Confident83.8Confident112 Ų11250.2 Ų50.242%0.42424%0.235SC..  trans-123.6121.8-173.6-174.4-99.2000112.9G257 E258W255-G257 PolarHBondContact O-N 3.12Å; W255-E258 WeakPolarHBondContact O-CB 3.31Å; W255-E258 WeakPolarHBondContact O-CG 3.41Å; W255-E258 PolarHBondContact O-N 2.95Å
256K73.5Confident82.8Confident157 Ų15753 Ų5368%0.68325%0.247SC*.THydrogen-bonded Turntrans44.729.1165.2-68.5-167.7175.6-168.90116.4E258K256-E258 PolarHBondContact O-N 3.1Å
257G75.7Confident81.8Confident8 Ų853.8 Ų53.88%0.08225%0.253CS..THydrogen-bonded Turntrans64.319.9-177.300000114.2W255 F259 T260 R261W255-G257 PolarHBondContact O-N 3.12Å; G257-F259 PolarHBondContact O-N 2.94Å; G257-T260 PolarHBondContact O-N 2.8Å; G257-T260 VanDerWaalsContact O-N 3.16Å; G257-R261 PolarHBondContact O-N 3.42Å
258E78.8Confident80.7Confident66 Ų6659.6 Ų59.631%0.30828%0.28SS..Hα-helixtrans-58.4-38.3177.3-71.6-64.9155.900111.4W255 K256 R261 A262W255-E258 WeakPolarHBondContact O-CB 3.31Å; W255-E258 WeakPolarHBondContact O-CG 3.41Å; W255-E258 PolarHBondContact O-N 2.95Å; K256-E258 PolarHBondContact O-N 3.1Å; E258-R261 IonicContact OE2-CZ 2.71Å; E258-R261 IonicContact OE2-NE 3.27Å; E258-R261 PolarHBondContact OE2-NE 3.5Å; E258-R261 IonicContact OE2-NH2 2.62Å; E258-R261 PolarHBondContact OE2-NH2 2.02Å; E258-A262 VanDerWaalsContact O-CB 3.26Å; E258-A262 WeakPolarHBondContact O-CB 2.91Å; E258-A262 PolarHBondContact O-N 3.2Å
259F84Confident79.4Confident1 Ų161.9 Ų61.90%0.00429%0.294CS..Hα-helixtrans-62.5-52173.3173.5-88.3000111I220 D222 V245 S247 G257 R261 A262 F263 L280 M284 P306I220-F259 HydrophobicContact CG2-CE1 3.71Å; I220-F259 HydrophobicContact CG2-CZ 4.06Å; D222-F259 HydrophobicContact CB-CD1 3.73Å; D222-F259 HydrophobicContact CB-CE1 4.36Å; V245-F259 HydrophobicContact CG1-CE2 4.03Å; V245-F259 HydrophobicContact CG1-CZ 3.63Å; S247-F259 VanDerWaalsContact CB-CB 3.45Å; G257-F259 PolarHBondContact O-N 2.94Å; F259-R261 VanDerWaalsContact C-N 3.31Å; F259-R261 PolarHBondContact O-N 3.44Å; F259-A262 PolarHBondContact O-N 3.38Å; F259-F263 HydrophobicContact CE1-CB 4.19Å; F259-F263 HydrophobicContact CE1-CD2 4.31Å; F259-F263 HydrophobicContact CE1-CG 4.4Å; F259-F263 HydrophobicContact CZ-CB 4.42Å; F259-F263 AromaticContact CZ-CD2 3.99Å; F259-F263 HydrophobicContact CZ-CD2 3.99Å; F259-F263 HydrophobicContact CZ-CG 4.48Å; F259-F263 VanDerWaalsContact O-CB 3.25Å; F259-F263 WeakPolarHBondContact O-CB 3.1Å; F259-F263 PolarHBondContact O-N 2.8Å; F259-L280 HydrophobicContact CD2-CD2 4.45Å; F259-L280 HydrophobicContact CE2-CD2 3.81Å; F259-L280 HydrophobicContact CZ-CD2 4.26Å; F259-M284 HydrophobicContact CB-CE 4.07Å; F259-M284 HydrophobicContact CB-SD 4.41Å; F259-M284 HydrophobicContact CD2-CE 4.09Å; F259-M284 HydrophobicContact CD2-SD 3.69Å; F259-P306 HydrophobicContact CD2-CB 4.11Å; F259-P306 HydrophobicContact CE2-CB 4.01Å
260T84.4Confident78.2Confident15 Ų1565.6 Ų65.69%0.09231%0.312CS..Hα-helixtrans-54.5-47.6177.3-65.50000111.6F175 H177 D222 G257 A262 F263 L264F175-T260 HydrophobicContact CE1-CG2 4.19Å; F175-T260 HydrophobicContact CZ-CG2 3.86Å; F175-T260 WeakPolarHBondContact CZ-OG1 3.28Å; H177-T260 PolarHBondContact ND1-OG1 3.3Å; D222-T260 WeakPolarHBondContact OD2-CB 3.16Å; D222-T260 PolarHBondContact OD2-N 2.89Å; D222-T260 VanDerWaalsContact OD2-N 3.07Å; D222-T260 PolarHBondContact OD2-OG1 3.18Å; G257-T260 PolarHBondContact O-N 2.8Å; G257-T260 VanDerWaalsContact O-N 3.16Å; T260-A262 PolarHBondContact O-N 2.97Å; T260-F263 PolarHBondContact O-N 3.29Å; T260-L264 HydrophobicContact CG2-CD1 3.97Å; T260-L264 HydrophobicContact CG2-CG 4.45Å; T260-L264 VanDerWaalsContact O-CG 3.29Å; T260-L264 WeakPolarHBondContact O-CG 2.77Å; T260-L264 PolarHBondContact O-N 2.91Å
261R77.6Confident77.3Confident110 Ų11067.8 Ų67.842%0.41532%0.321SS..Hα-helixtrans-58-48.5178.4-176.4174.971.995.2-4.4111.6G257 E258 F259 E265G257-R261 PolarHBondContact O-N 3.42Å; E258-R261 IonicContact OE2-CZ 2.71Å; E258-R261 IonicContact OE2-NE 3.27Å; E258-R261 PolarHBondContact OE2-NE 3.5Å; E258-R261 IonicContact OE2-NH2 2.62Å; E258-R261 PolarHBondContact OE2-NH2 2.02Å; F259-R261 VanDerWaalsContact C-N 3.31Å; F259-R261 PolarHBondContact O-N 3.44Å; R261-E265 WeakPolarHBondContact O-CB 3.37Å; R261-E265 PolarHBondContact O-N 3.22Å
262A77.7Confident77.1Confident0 Ų060.6 Ų60.60%029%0.294CS..Hα-helixtrans-68.6-39.8-179.400000112.1E258 F259 T260 L264 E265 K266 L280 W283E258-A262 VanDerWaalsContact O-CB 3.26Å; E258-A262 WeakPolarHBondContact O-CB 2.91Å; E258-A262 PolarHBondContact O-N 3.2Å; F259-A262 PolarHBondContact O-N 3.38Å; T260-A262 PolarHBondContact O-N 2.97Å; A262-L264 VanDerWaalsContact C-N 3.35Å; A262-L264 PolarHBondContact O-N 3.4Å; A262-E265 PolarHBondContact O-N 3.31Å; A262-K266 VanDerWaalsContact O-CB 3.29Å; A262-K266 WeakPolarHBondContact O-CB 3.29Å; A262-K266 VanDerWaalsContact O-CG 3.31Å; A262-K266 WeakPolarHBondContact O-CG 3.4Å; A262-K266 PolarHBondContact O-N 3.07Å; A262-L280 VanDerWaalsContact C-CD1 3.42Å; A262-L280 HydrophobicContact CB-CD1 3.33Å; A262-W283 HydrophobicContact CB-CE3 3.63Å; A262-W283 HydrophobicContact CB-CH2 3.84Å; A262-W283 HydrophobicContact CB-CZ3 3.23Å
263F81.1Confident77Confident10 Ų1059.7 Ų59.74%0.04429%0.29CS..Hα-helixtrans-58.8-47.6176.4-176.1-90.1000110.4F175 I220 F259 T260 E265 S267 F273 L280 M320F175-F263 HydrophobicContact CE2-CD1 4.12Å; F175-F263 HydrophobicContact CE2-CE1 4.44Å; I220-F263 HydrophobicContact CD1-CE1 3.99Å; I220-F263 HydrophobicContact CD1-CE2 4.09Å; I220-F263 HydrophobicContact CD1-CZ 3.47Å; I220-F263 VanDerWaalsContact CD1-CZ 3.47Å; I220-F263 HydrophobicContact CG1-CZ 4.41Å; F259-F263 HydrophobicContact CE1-CB 4.19Å; F259-F263 HydrophobicContact CE1-CD2 4.31Å; F259-F263 HydrophobicContact CE1-CG 4.4Å; F259-F263 HydrophobicContact CZ-CB 4.42Å; F259-F263 AromaticContact CZ-CD2 3.99Å; F259-F263 HydrophobicContact CZ-CD2 3.99Å; F259-F263 HydrophobicContact CZ-CG 4.48Å; F259-F263 VanDerWaalsContact O-CB 3.25Å; F259-F263 WeakPolarHBondContact O-CB 3.1Å; F259-F263 PolarHBondContact O-N 2.8Å; T260-F263 PolarHBondContact O-N 3.29Å; F263-E265 PolarHBondContact O-N 3.34Å; F263-S267 WeakPolarHBondContact O-CB 3.16Å; F263-S267 PolarHBondContact O-N 2.8Å; F263-S267 PolarHBondContact O-OG 3.38Å; F263-F273 HydrophobicContact CE2-CE2 4.33Å; F263-F273 HydrophobicContact CZ-CE2 4.36Å; F263-L280 HydrophobicContact CB-CD2 4.18Å; F263-L280 HydrophobicContact CD2-CD2 3.75Å; F263-L280 HydrophobicContact CG-CD2 4.45Å; F263-M320 HydrophobicContact CE1-SD 4.47Å; F263-M320 HydrophobicContact CZ-SD 4.03Å
264L80.7Confident77Confident127 Ų12759.2 Ų59.267%0.66528%0.281SS*.Hα-helixtrans-67.3-33.1177.7-67174.3000113.4T260 A262T260-L264 HydrophobicContact CG2-CD1 3.97Å; T260-L264 HydrophobicContact CG2-CG 4.45Å; T260-L264 VanDerWaalsContact O-CG 3.29Å; T260-L264 WeakPolarHBondContact O-CG 2.77Å; T260-L264 PolarHBondContact O-N 2.91Å; A262-L264 VanDerWaalsContact C-N 3.35Å; A262-L264 PolarHBondContact O-N 3.4Å
265E75.3Confident77Confident109 Ų10962.1 Ų62.151%0.50930%0.295SS..Hα-helixtrans-77.7-33.9179.5-166.6-16813500112.6R261 A262 F263R261-E265 WeakPolarHBondContact O-CB 3.37Å; R261-E265 PolarHBondContact O-N 3.22Å; A262-E265 PolarHBondContact O-N 3.31Å; F263-E265 PolarHBondContact O-N 3.34Å
266K72.5Confident77.3Confident57 Ų5757 Ų5725%0.24828%0.276CS..Hα-helixtrans-105.7-15.8-170.1-58.3-51.5-173.5-157.80114.6A262 V279 L280A262-K266 VanDerWaalsContact O-CB 3.29Å; A262-K266 WeakPolarHBondContact O-CB 3.29Å; A262-K266 VanDerWaalsContact O-CG 3.31Å; A262-K266 WeakPolarHBondContact O-CG 3.4Å; A262-K266 PolarHBondContact O-N 3.07Å; K266-V279 HydrophobicContact CB-CG1 4.47Å; K266-L280 HydrophobicContact CB-CB 4.49Å
267S72.6Confident77.8Confident18 Ų1850 Ų5013%0.12625%0.245CC..  trans-101.4111.2-177.6-45.30000110.3F263F263-S267 WeakPolarHBondContact O-CB 3.16Å; F263-S267 PolarHBondContact O-N 2.8Å; F263-S267 PolarHBondContact O-OG 3.38Å
268E68.4Low78.3Confident122 Ų12254 Ų5457%0.5726%0.262SS*.  trans-94.8140.9170.8-59.2-168.9-171.200110H270 D271E268-H270 PolarHBondContact O-N 2.98Å; E268-H270 VanDerWaalsContact O-N 3.14Å; E268-D271 HydrophobicContact CB-CB 4.21Å; E268-D271 PolarHBondContact O-N 3.44Å; E268-D271 VanDerWaalsContact O-N 3.15Å
269V64.2Low78.5Confident47 Ų4754.7 Ų54.729%0.28527%0.271SS..THydrogen-bonded Turntrans-61.7-26.7-176.7179.60000112.6W96 T319 M320 A321W96-V269 HydrophobicContact CZ2-CG1 4.27Å; W96-V269 HydrophobicContact CZ2-CG2 3.86Å; V269-T319 WeakPolarHBondContact O-CB 3.31Å; V269-T319 PolarHBondContact O-OG1 2.96Å; V269-M320 HydrophobicContact CB-CE 4.48Å; V269-M320 HydrophobicContact CG2-CE 3.92Å; V269-A321 HydrophobicContact CG1-CB 3.9Å
270H64.6Low78.5Confident128 Ų12854.7 Ų54.759%0.59327%0.271SS*.THydrogen-bonded Turntrans-92.4-14.9-177.8-58.4-57.5000113.6E268 T319E268-H270 PolarHBondContact O-N 2.98Å; E268-H270 VanDerWaalsContact O-N 3.14Å; H270-T319 WeakPolarHBondContact O-CG2 3.44Å
271D72.2Confident78.5Confident66 Ų6657.5 Ų57.535%0.35328%0.28SS..SBendtrans-75.5156.4176.4-77.4-11.1000110E268 F273 S276 T319E268-D271 HydrophobicContact CB-CB 4.21Å; E268-D271 PolarHBondContact O-N 3.44Å; E268-D271 VanDerWaalsContact O-N 3.15Å; D271-F273 PolarHBondContact O-N 3.34Å; D271-S276 WeakPolarHBondContact CB-OG 3.06Å; D271-T319 VanDerWaalsContact O-CA 3.3Å; D271-T319 WeakPolarHBondContact O-CA 3.08Å; D271-T319 VanDerWaalsContact O-CB 3.27Å; D271-T319 WeakPolarHBondContact O-CB 3.29Å
272C82.3Confident78.7Confident13 Ų1357 Ų579%0.08829%0.285CS..BIsolated β-bridgetrans-65.3124.9172.2-610000109.1E274 D275 S276 C325 H326C272-E274 PolarHBondContact O-N 3.38Å; C272-E274 VanDerWaalsContact O-N 3.14Å; C272-D275 HydrophobicContact CB-CB 4.06Å; C272-D275 VanDerWaalsContact CB-OD2 3.28Å; C272-D275 WeakPolarHBondContact CB-OD2 3.29Å; C272-D275 WeakPolarHBondContact O-CA 3.42Å; C272-D275 WeakPolarHBondContact O-CB 3.4Å; C272-D275 PolarHBondContact O-N 3.48Å; C272-S276 PolarHBondContact O-N 2.93Å; C272-S276 PolarHBondContact O-OG 3.25Å; C272-C325 WeakPolarHBondContact CA-SG 3.44Å; C272-C325 HydrophobicContact CB-CB 4.05Å; C272-C325 WeakPolarHBondContact CB-SG 3.36Å; C272-C325 WeakPolarHBondContact SG-CB 3.43Å; C272-C325 CovalentContact SG-SG 2.02Å; C272-C325 PolarHBondContact SG-SG 3.49Å; C272-H326 PolarHBondContact SG-NE2 3.07Å; C272-H326 VanDerWaalsContact SG-NE2 3.38Å
273F85.2Confident78.8Confident4 Ų460 Ų602%0.01830%0.297CS..Hα-helixtrans-58-38.9-168.6-179.7-102000112Y218 I243 V245 F263 D271 F277 I308 K318 M320Y218-F273 HydrophobicContact CD1-CD1 4.27Å; Y218-F273 HydrophobicContact CD1-CD2 4.22Å; Y218-F273 AromaticContact CD1-CE1 3.89Å; Y218-F273 HydrophobicContact CD1-CE1 3.89Å; Y218-F273 AromaticContact CD1-CE2 3.85Å; Y218-F273 HydrophobicContact CD1-CE2 3.85Å; Y218-F273 HydrophobicContact CD1-CG 4.4Å; Y218-F273 AromaticContact CD1-CZ 3.65Å; Y218-F273 HydrophobicContact CD1-CZ 3.65Å; Y218-F273 HydrophobicContact CE1-CB 4.32Å; Y218-F273 AromaticContact CE1-CD1 3.61Å; Y218-F273 HydrophobicContact CE1-CD1 3.61Å; Y218-F273 AromaticContact CE1-CD2 3.75Å; Y218-F273 HydrophobicContact CE1-CD2 3.75Å; Y218-F273 AromaticContact CE1-CE1 3.7Å; Y218-F273 HydrophobicContact CE1-CE1 3.7Å; Y218-F273 AromaticContact CE1-CE2 3.85Å; Y218-F273 HydrophobicContact CE1-CE2 3.85Å; Y218-F273 AromaticContact CE1-CG 3.61Å; Y218-F273 HydrophobicContact CE1-CG 3.61Å; Y218-F273 AromaticContact CE1-CZ 3.82Å; Y218-F273 HydrophobicContact CE1-CZ 3.82Å; I243-F273 HydrophobicContact CG2-CD1 4.48Å; I243-F273 HydrophobicContact CG2-CE1 3.9Å; V245-F273 HydrophobicContact CG2-CE1 4.02Å; V245-F273 HydrophobicContact CG2-CZ 3.75Å; F263-F273 HydrophobicContact CE2-CE2 4.33Å; F263-F273 HydrophobicContact CZ-CE2 4.36Å; D271-F273 PolarHBondContact O-N 3.34Å; F273-F277 VanDerWaalsContact O-CB 3.32Å; F273-F277 WeakPolarHBondContact O-CB 3.25Å; F273-F277 PolarHBondContact O-N 3.17Å; F273-I308 HydrophobicContact CD1-CD1 4.48Å; F273-I308 HydrophobicContact CE1-CD1 3.82Å; F273-K318 PolarHBondContact N-O 2.55Å; F273-M320 HydrophobicContact CD2-CB 4.11Å; F273-M320 HydrophobicContact CD2-CG 4.2Å; F273-M320 HydrophobicContact CD2-SD 4.33Å; F273-M320 HydrophobicContact CE2-CG 4.45Å; F273-M320 HydrophobicContact CE2-SD 4.2Å
274E85.1Confident78.6Confident53 Ų5360.1 Ų60.125%0.24830%0.297CS..Hα-helixtrans-67.5-39.1176.5-179.1166.5-178.600113.2C272 F277 Q278 Y310 N316C272-E274 PolarHBondContact O-N 3.38Å; C272-E274 VanDerWaalsContact O-N 3.14Å; E274-F277 PolarHBondContact O-N 3.38Å; E274-Q278 VanDerWaalsContact O-CB 3.3Å; E274-Q278 WeakPolarHBondContact O-CB 3.02Å; E274-Q278 PolarHBondContact O-N 3.46Å; E274-Y310 WeakPolarHBondContact CB-OH 3.39Å; E274-Y310 VanDerWaalsContact CG-OH 3.28Å; E274-Y310 WeakPolarHBondContact CG-OH 3.39Å; E274-N316 PolarHBondContact OE1-ND2 3.48Å; E274-N316 WeakPolarHBondContact OE2-CB 3.44Å; E274-N316 PolarHBondContact OE2-ND2 3.04Å; E274-N316 PolarHBondContact OE2-OD1 3Å; E274-N316 VanDerWaalsContact OE2-OD1 3.07Å
275D83.3Confident78.3Confident81 Ų8155.7 Ų55.743%0.43328%0.275SS..Hα-helixtrans-65.6-45.9176.9-66-27.7000109.9C272 F277 Q278 V279 H326C272-D275 HydrophobicContact CB-CB 4.06Å; C272-D275 VanDerWaalsContact CB-OD2 3.28Å; C272-D275 WeakPolarHBondContact CB-OD2 3.29Å; C272-D275 WeakPolarHBondContact O-CA 3.42Å; C272-D275 WeakPolarHBondContact O-CB 3.4Å; C272-D275 PolarHBondContact O-N 3.48Å; D275-F277 PolarHBondContact O-N 3.24Å; D275-Q278 PolarHBondContact O-N 3.4Å; D275-V279 WeakPolarHBondContact O-CG2 3.48Å; D275-V279 PolarHBondContact O-N 3.44Å; D275-H326 IonicContact OD2-CE1 3.44Å; D275-H326 IonicContact OD2-NE2 3.31Å; D275-H326 PolarHBondContact OD2-NE2 2.79Å; D275-H326 VanDerWaalsContact OD2-NE2 3.14Å
276S83.3Confident78Confident5 Ų553.1 Ų53.14%0.03527%0.269CS..Hα-helixtrans-59.4-45.1173.7-58.50000112D271 C272 Q278 V279 L280D271-S276 WeakPolarHBondContact CB-OG 3.06Å; C272-S276 PolarHBondContact O-N 2.93Å; C272-S276 PolarHBondContact O-OG 3.25Å; S276-Q278 VanDerWaalsContact C-N 3.34Å; S276-Q278 PolarHBondContact O-N 2.83Å; S276-V279 PolarHBondContact O-N 3.38Å; S276-L280 WeakPolarHBondContact O-CB 3.48Å; S276-L280 PolarHBondContact O-N 3.46Å
277F85.8Confident77.5Confident9 Ų953.3 Ų53.34%0.03927%0.272CS..Hα-helixtrans-65.7-37.6178.4-175.4-97.4000112V245 F273 E274 D275 L280 Y281 P306 I308V245-F277 HydrophobicContact CB-CE2 4.49Å; V245-F277 HydrophobicContact CG1-CD2 3.89Å; V245-F277 HydrophobicContact CG1-CE2 3.31Å; V245-F277 HydrophobicContact CG1-CZ 4.14Å; V245-F277 HydrophobicContact CG2-CD2 4.39Å; V245-F277 HydrophobicContact CG2-CE2 4.42Å; F273-F277 VanDerWaalsContact O-CB 3.32Å; F273-F277 WeakPolarHBondContact O-CB 3.25Å; F273-F277 PolarHBondContact O-N 3.17Å; E274-F277 PolarHBondContact O-N 3.38Å; D275-F277 PolarHBondContact O-N 3.24Å; F277-L280 HydrophobicContact CD2-CD2 4.09Å; F277-L280 HydrophobicContact CE2-CD2 4.28Å; F277-L280 WeakPolarHBondContact O-CB 3.21Å; F277-L280 PolarHBondContact O-N 3.36Å; F277-Y281 VanDerWaalsContact O-CB 3.31Å; F277-Y281 WeakPolarHBondContact O-CB 3.47Å; F277-Y281 PolarHBondContact O-N 3.35Å; F277-P306 HydrophobicContact CE2-CB 4.42Å; F277-P306 HydrophobicContact CZ-CB 4.19Å; F277-I308 HydrophobicContact CB-CD1 4.28Å; F277-I308 HydrophobicContact CD1-CB 4.02Å; F277-I308 HydrophobicContact CD1-CD1 3.74Å; F277-I308 HydrophobicContact CD1-CG2 3.81Å; F277-I308 HydrophobicContact CD2-CD1 4.22Å; F277-I308 HydrophobicContact CE1-CB 3.55Å; F277-I308 HydrophobicContact CE1-CD1 4.16Å; F277-I308 HydrophobicContact CE1-CG1 4.48Å; F277-I308 HydrophobicContact CE1-CG2 3.39Å; F277-I308 HydrophobicContact CE2-CB 4.48Å; F277-I308 HydrophobicContact CG-CD1 3.77Å; F277-I308 HydrophobicContact CZ-CB 3.81Å; F277-I308 HydrophobicContact CZ-CG2 4.14Å
278Q85.5Confident76.6Confident94 Ų9453.6 Ų53.644%0.43927%0.274SS..Hα-helixtrans-64.7-41.5176.6-174.16331.400111.3E274 D275 S276 Y281 L282E274-Q278 VanDerWaalsContact O-CB 3.3Å; E274-Q278 WeakPolarHBondContact O-CB 3.02Å; E274-Q278 PolarHBondContact O-N 3.46Å; D275-Q278 PolarHBondContact O-N 3.4Å; S276-Q278 VanDerWaalsContact C-N 3.34Å; S276-Q278 PolarHBondContact O-N 2.83Å; Q278-Y281 PolarHBondContact O-N 2.93Å; Q278-L282 HydrophobicContact CG-CD1 4.31Å; Q278-L282 WeakPolarHBondContact O-CB 3.46Å; Q278-L282 VanDerWaalsContact O-CG 3.29Å; Q278-L282 WeakPolarHBondContact O-CG 3.37Å; Q278-L282 PolarHBondContact O-N 2.94Å
279V82.8Confident75.8Confident80 Ų8054 Ų5449%0.48528%0.276SS..Hα-helixtrans-61.7-46173.9171.80000110.7K266 D275 S276 L282 W283K266-V279 HydrophobicContact CB-CG1 4.47Å; D275-V279 WeakPolarHBondContact O-CG2 3.48Å; D275-V279 PolarHBondContact O-N 3.44Å; S276-V279 PolarHBondContact O-N 3.38Å; V279-L282 PolarHBondContact O-N 2.9Å; V279-W283 WeakPolarHBondContact O-CB 3.43Å; V279-W283 PolarHBondContact O-N 3.1Å
280L83.3Confident75.2Confident0 Ų058.8 Ų58.80%029%0.294CS..Hα-helixtrans-57.9-50175.2174.265.5000111.7F259 A262 F263 K266 S276 F277 W283 M284F259-L280 HydrophobicContact CD2-CD2 4.45Å; F259-L280 HydrophobicContact CE2-CD2 3.81Å; F259-L280 HydrophobicContact CZ-CD2 4.26Å; A262-L280 VanDerWaalsContact C-CD1 3.42Å; A262-L280 HydrophobicContact CB-CD1 3.33Å; F263-L280 HydrophobicContact CB-CD2 4.18Å; F263-L280 HydrophobicContact CD2-CD2 3.75Å; F263-L280 HydrophobicContact CG-CD2 4.45Å; K266-L280 HydrophobicContact CB-CB 4.49Å; S276-L280 WeakPolarHBondContact O-CB 3.48Å; S276-L280 PolarHBondContact O-N 3.46Å; F277-L280 HydrophobicContact CD2-CD2 4.09Å; F277-L280 HydrophobicContact CE2-CD2 4.28Å; F277-L280 WeakPolarHBondContact O-CB 3.21Å; F277-L280 PolarHBondContact O-N 3.36Å; L280-W283 PolarHBondContact O-N 2.87Å; L280-M284 HydrophobicContact CD1-CG 4.25Å; L280-M284 HydrophobicContact CD1-SD 4.07Å; L280-M284 HydrophobicContact CG-SD 4.26Å; L280-M284 WeakPolarHBondContact O-CG 3.28Å; L280-M284 PolarHBondContact O-N 3Å
281Y84.8Confident74.4Confident74 Ų7455.5 Ų55.529%0.2928%0.281SS..Hα-helixtrans-57.9-51.6179.5176.3-88000111.1F277 Q278 W283 M284 V285 P306F277-Y281 VanDerWaalsContact O-CB 3.31Å; F277-Y281 WeakPolarHBondContact O-CB 3.47Å; F277-Y281 PolarHBondContact O-N 3.35Å; Q278-Y281 PolarHBondContact O-N 2.93Å; Y281-W283 VanDerWaalsContact C-N 3.3Å; Y281-W283 PolarHBondContact O-N 3.3Å; Y281-M284 PolarHBondContact O-N 3.12Å; Y281-V285 HydrophobicContact CD1-CG2 4.12Å; Y281-V285 HydrophobicContact CD2-CG2 4.42Å; Y281-V285 HydrophobicContact CE1-CG2 3.7Å; Y281-V285 HydrophobicContact CE2-CG2 4.02Å; Y281-V285 HydrophobicContact CG-CG2 4.45Å; Y281-V285 WeakPolarHBondContact O-CB 3.49Å; Y281-V285 WeakPolarHBondContact O-CG2 3.11Å; Y281-V285 PolarHBondContact O-N 3.4Å; Y281-P306 HydrophobicContact CD2-CG 3.96Å
282L82.9Confident73.1Confident99 Ų9954.6 Ų54.652%0.51828%0.28SS..Hα-helixtrans-60.9-39.6179.9-72.7174.2000111.9Q278 V279 S286Q278-L282 HydrophobicContact CG-CD1 4.31Å; Q278-L282 WeakPolarHBondContact O-CB 3.46Å; Q278-L282 VanDerWaalsContact O-CG 3.29Å; Q278-L282 WeakPolarHBondContact O-CG 3.37Å; Q278-L282 PolarHBondContact O-N 2.94Å; V279-L282 PolarHBondContact O-N 2.9Å; L282-S286 WeakPolarHBondContact O-CB 3.22Å; L282-S286 PolarHBondContact O-N 3.03Å
283W79.7Confident71.4Confident65 Ų6560.8 Ų60.825%0.24631%0.311CS..Hα-helixtrans-63.9-47.2175.6179.888.8000111.6A262 V279 L280 Y281 V285 S286 I287A262-W283 HydrophobicContact CB-CE3 3.63Å; A262-W283 HydrophobicContact CB-CH2 3.84Å; A262-W283 HydrophobicContact CB-CZ3 3.23Å; V279-W283 WeakPolarHBondContact O-CB 3.43Å; V279-W283 PolarHBondContact O-N 3.1Å; L280-W283 PolarHBondContact O-N 2.87Å; Y281-W283 VanDerWaalsContact C-N 3.3Å; Y281-W283 PolarHBondContact O-N 3.3Å; W283-V285 PolarHBondContact O-N 2.65Å; W283-S286 PolarHBondContact O-N 2.8Å; W283-I287 HydrophobicContact CD2-CD1 3.58Å; W283-I287 HydrophobicContact CD2-CG1 4.49Å; W283-I287 HydrophobicContact CE3-CD1 3.69Å; W283-I287 HydrophobicContact CG-CD1 4.43Å; W283-I287 HydrophobicContact CH2-CD1 3.25Å; W283-I287 HydrophobicContact CZ2-CD1 3.14Å; W283-I287 HydrophobicContact CZ3-CD1 3.5Å; W283-I287 WeakPolarHBondContact O-CG1 3.2Å; W283-I287 PolarHBondContact O-N 2.82Å
284M75.6Confident69.4Low12 Ų1265 Ų656%0.05934%0.34CS..Hα-helixtrans-63.2-44.1179.3-72.5-172.76700111.4F259 L280 Y281 I287 T288 P306F259-M284 HydrophobicContact CB-CE 4.07Å; F259-M284 HydrophobicContact CB-SD 4.41Å; F259-M284 HydrophobicContact CD2-CE 4.09Å; F259-M284 HydrophobicContact CD2-SD 3.69Å; L280-M284 HydrophobicContact CD1-CG 4.25Å; L280-M284 HydrophobicContact CD1-SD 4.07Å; L280-M284 HydrophobicContact CG-SD 4.26Å; L280-M284 WeakPolarHBondContact O-CG 3.28Å; L280-M284 PolarHBondContact O-N 3Å; Y281-M284 PolarHBondContact O-N 3.12Å; M284-I287 PolarHBondContact O-N 3.13Å; M284-T288 WeakPolarHBondContact O-CG2 3.37Å; M284-T288 PolarHBondContact O-N 3.15Å; M284-T288 VanDerWaalsContact O-N 3.09Å; M284-P306 HydrophobicContact CB-CG 4.34Å; M284-P306 HydrophobicContact CE-CG 4.15Å; M284-P306 HydrophobicContact SD-CB 4.25Å; M284-P306 HydrophobicContact SD-CG 3.72Å
285V75.1Confident67.4Low33 Ų3363.1 Ų63.120%0.233%0.331CS..Hα-helixtrans-66.6-40.9177.3175.40000111.4Y281 W283 I287 T288 E289Y281-V285 HydrophobicContact CD1-CG2 4.12Å; Y281-V285 HydrophobicContact CD2-CG2 4.42Å; Y281-V285 HydrophobicContact CE1-CG2 3.7Å; Y281-V285 HydrophobicContact CE2-CG2 4.02Å; Y281-V285 HydrophobicContact CG-CG2 4.45Å; Y281-V285 WeakPolarHBondContact O-CB 3.49Å; Y281-V285 WeakPolarHBondContact O-CG2 3.11Å; Y281-V285 PolarHBondContact O-N 3.4Å; W283-V285 PolarHBondContact O-N 2.65Å; V285-I287 VanDerWaalsContact C-N 3.32Å; V285-I287 PolarHBondContact O-N 3.14Å; V285-T288 WeakPolarHBondContact CA-OG1 3.48Å; V285-T288 WeakPolarHBondContact O-CA 3.32Å; V285-T288 WeakPolarHBondContact O-CB 3.3Å; V285-T288 PolarHBondContact O-N 2.85Å; V285-T288 PolarHBondContact O-OG1 3.03Å; V285-E289 PolarHBondContact O-N 3.33Å
286S69.2Low65.6Low55 Ų5566.8 Ų66.839%0.38535%0.35SS..Hα-helixtrans-62.2-38.7177-178.10000112.4L282 W283 T288 E289 H290L282-S286 WeakPolarHBondContact O-CB 3.22Å; L282-S286 PolarHBondContact O-N 3.03Å; W283-S286 PolarHBondContact O-N 2.8Å; S286-T288 VanDerWaalsContact C-N 3.3Å; S286-T288 PolarHBondContact O-N 2.95Å; S286-E289 PolarHBondContact O-N 2.81Å; S286-H290 PolarHBondContact O-CD2 2.94Å; S286-H290 PolarHBondContact O-N 2.82Å
287I61.7Low63.7Low61 Ų6170.8 Ų70.831%0.31338%0.383SS..Hα-helixtrans-62.5-40.2172.2-72.4175.8000110.8W283 M284 V285 E289 H290 L291W283-I287 HydrophobicContact CD2-CD1 3.58Å; W283-I287 HydrophobicContact CD2-CG1 4.49Å; W283-I287 HydrophobicContact CE3-CD1 3.69Å; W283-I287 HydrophobicContact CG-CD1 4.43Å; W283-I287 HydrophobicContact CH2-CD1 3.25Å; W283-I287 HydrophobicContact CZ2-CD1 3.14Å; W283-I287 HydrophobicContact CZ3-CD1 3.5Å; W283-I287 WeakPolarHBondContact O-CG1 3.2Å; W283-I287 PolarHBondContact O-N 2.82Å; M284-I287 PolarHBondContact O-N 3.13Å; V285-I287 VanDerWaalsContact C-N 3.32Å; V285-I287 PolarHBondContact O-N 3.14Å; I287-E289 PolarHBondContact O-N 3.14Å; I287-H290 PolarHBondContact O-N 2.97Å; I287-L291 HydrophobicContact CG2-CD1 3.62Å; I287-L291 WeakPolarHBondContact O-CB 3.49Å; I287-L291 WeakPolarHBondContact O-CD1 3.29Å; I287-L291 PolarHBondContact O-N 3.15Å
288T54Low61.7Low25 Ų2577.1 Ų77.115%0.15341%0.411CS..Hα-helixtrans-64.8-37.3176.960.70000113M284 V285 S286 S292M284-T288 WeakPolarHBondContact O-CG2 3.37Å; M284-T288 PolarHBondContact O-N 3.15Å; M284-T288 VanDerWaalsContact O-N 3.09Å; V285-T288 WeakPolarHBondContact CA-OG1 3.48Å; V285-T288 WeakPolarHBondContact O-CA 3.32Å; V285-T288 WeakPolarHBondContact O-CB 3.3Å; V285-T288 PolarHBondContact O-N 2.85Å; V285-T288 PolarHBondContact O-OG1 3.03Å; S286-T288 VanDerWaalsContact C-N 3.3Å; S286-T288 PolarHBondContact O-N 2.95Å; T288-S292 WeakPolarHBondContact O-CB 3.38Å; T288-S292 PolarHBondContact O-N 2.89Å
289E51.2Low59.3Low130 Ų13076.3 Ų76.361%0.60743%0.427SS*.Hα-helixtrans-68.2-45.1176.5-71.5-171.6166.300111.9V285 S286 I287 L291 S292V285-E289 PolarHBondContact O-N 3.33Å; S286-E289 PolarHBondContact O-N 2.81Å; I287-E289 PolarHBondContact O-N 3.14Å; E289-L291 VanDerWaalsContact C-N 3.31Å; E289-L291 PolarHBondContact O-N 2.79Å; E289-S292 WeakPolarHBondContact O-CB 3.41Å; E289-S292 PolarHBondContact O-N 3.35Å; E289-S292 PolarHBondContact O-OG 3.16Å
290H51.2Low57.3Low147 Ų14776.9 Ų76.968%0.68143%0.427SS*.Hα-helixtrans-65.9-32.7177.4-83.2-66.7000113S286 I287S286-H290 PolarHBondContact O-CD2 2.94Å; S286-H290 PolarHBondContact O-N 2.82Å; I287-H290 PolarHBondContact O-N 2.97Å
291L47.8Very low55.4Low60 Ų6083.3 Ų83.331%0.31447%0.467SS..Hα-helixtrans-79.8-23.9173.6-89.290.1000113.7I287 E289 L293 C294 Q295I287-L291 HydrophobicContact CG2-CD1 3.62Å; I287-L291 WeakPolarHBondContact O-CB 3.49Å; I287-L291 WeakPolarHBondContact O-CD1 3.29Å; I287-L291 PolarHBondContact O-N 3.15Å; E289-L291 VanDerWaalsContact C-N 3.31Å; E289-L291 PolarHBondContact O-N 2.79Å; L291-L293 PolarHBondContact O-N 2.92Å; L291-C294 CarbonylContact O-C 3.51Å; L291-C294 WeakPolarHBondContact O-CA 3.5Å; L291-C294 WeakPolarHBondContact O-CB 3.44Å; L291-C294 PolarHBondContact O-N 3.33Å; L291-Q295 HydrophobicContact CB-CG 4.33Å; L291-Q295 WeakPolarHBondContact O-CB 3.28Å; L291-Q295 WeakPolarHBondContact O-CG 3.17Å; L291-Q295 PolarHBondContact O-N 2.88Å; L291-Q295 PolarHBondContact O-OE1 3.25Å
292S44.5Very low54Low46 Ų4684.4 Ų84.432%0.32247%0.47SS..Hα-helixtrans-57.1-36.8-177.272.30000112.9T288 E289 C294 Q295 L296T288-S292 WeakPolarHBondContact O-CB 3.38Å; T288-S292 PolarHBondContact O-N 2.89Å; E289-S292 WeakPolarHBondContact O-CB 3.41Å; E289-S292 PolarHBondContact O-N 3.35Å; E289-S292 PolarHBondContact O-OG 3.16Å; S292-C294 VanDerWaalsContact C-N 3.32Å; S292-C294 PolarHBondContact O-N 3.34Å; S292-Q295 PolarHBondContact O-N 3.04Å; S292-L296 PolarHBondContact O-N 3.5Å
293L47.1Very low52.8Low144 Ų14482.8 Ų82.875%0.75446%0.46SS*.Hα-helixtrans-65.6-30.8174.5-73.3171.2000113.1L291L291-L293 PolarHBondContact O-N 2.92Å
294C44Very low52.7Low92 Ų9280.4 Ų80.462%0.62245%0.453SS*.Hα-helixtrans-85.3-22.7173.8-86.70000113.4L291 S292L291-C294 CarbonylContact O-C 3.51Å; L291-C294 WeakPolarHBondContact O-CA 3.5Å; L291-C294 WeakPolarHBondContact O-CB 3.44Å; L291-C294 PolarHBondContact O-N 3.33Å; S292-C294 VanDerWaalsContact C-N 3.32Å; S292-C294 PolarHBondContact O-N 3.34Å
295Q43.6Very low53.1Low13 Ų1382.5 Ų82.56%0.06146%0.463CS..Hα-helixtrans-86.5-28.8-171.5-76.3162.1-17.800113.6L291 S292 A297 K298 G299 R302 H303L291-Q295 HydrophobicContact CB-CG 4.33Å; L291-Q295 WeakPolarHBondContact O-CB 3.28Å; L291-Q295 WeakPolarHBondContact O-CG 3.17Å; L291-Q295 PolarHBondContact O-N 2.88Å; L291-Q295 PolarHBondContact O-OE1 3.25Å; S292-Q295 PolarHBondContact O-N 3.04Å; Q295-A297 PolarHBondContact O-N 3.26Å; Q295-A297 VanDerWaalsContact O-N 3.11Å; Q295-K298 PolarHBondContact O-N 2.66Å; Q295-G299 PolarHBondContact O-N 2.9Å; Q295-R302 HydrophobicContact CG-CG 4.45Å; Q295-R302 VanDerWaalsContact NE2-CB 3.34Å; Q295-H303 PolarHBondContact OE1-CE1 2.92Å; Q295-H303 PolarHBondContact OE1-NE2 2.88Å
296L45.4Very low53.8Low159 Ų15981 Ų8183%0.83245%0.454SS*.THydrogen-bonded Turntrans-55-26.4169.1-83.9162.7000112.3S292S292-L296 PolarHBondContact O-N 3.5Å
297A42.8Very low54.9Low88 Ų8880.2 Ų80.273%0.72745%0.447SS*.THydrogen-bonded Turntrans-84.8-9.8176.500000114.8Q295Q295-A297 PolarHBondContact O-N 3.26Å; Q295-A297 VanDerWaalsContact O-N 3.11Å
298K43.8Very low56.3Low143 Ų14379.5 Ų79.562%0.62244%0.443SS*.THydrogen-bonded Turntrans-127.12.5-171.3-72-172.4177.1-179.90115.9Q295 L300Q295-K298 PolarHBondContact O-N 2.66Å; K298-L300 HydrophobicContact CB-CD1 4.43Å; K298-L300 PolarHBondContact O-N 3.23Å
299G34.4Very low58.2Low76 Ų7679.9 Ų79.978%0.78444%0.442SS*.THydrogen-bonded Turntrans59.712.5172.400000116.2Q295Q295-G299 PolarHBondContact O-N 2.9Å
300L41.2Very low60.1Low93 Ų9376.3 Ų76.349%0.48742%0.423SS..  trans-103.4106.4-179.2-85.1135.5000108.7K298 R302K298-L300 HydrophobicContact CB-CD1 4.43Å; K298-L300 PolarHBondContact O-N 3.23Å; L300-R302 HydrophobicContact CB-CG 4.2Å; L300-R302 PolarHBondContact O-N 2.75Å
301T44.7Very low61.8Low135 Ų13569.6 Ų69.683%0.82839%0.393SS*.  trans-67.594.5169.447.10000109.1H303T301-H303 VanDerWaalsContact C-N 3.35Å
302R54.2Low63.4Low96 Ų9671.1 Ų71.136%0.36242%0.423SS..  trans-98.642.4178.3-40-174.3-168.1-175.8-8.2112.2Q295 L300Q295-R302 HydrophobicContact CG-CG 4.45Å; Q295-R302 VanDerWaalsContact NE2-CB 3.34Å; L300-R302 HydrophobicContact CB-CG 4.2Å; L300-R302 PolarHBondContact O-N 2.75Å
303H57.8Low64.9Low66 Ų6674.9 Ų74.931%0.30644%0.439SS..  trans-109.3101.9-174.6-55-62.5000109.1Q252 Q295 T301Q252-H303 PolarHBondContact NE2-O 3.2Å; Q252-H303 PolarHBondContact OE1-O 2.98Å; Q295-H303 PolarHBondContact OE1-CE1 2.92Å; Q295-H303 PolarHBondContact OE1-NE2 2.88Å; T301-H303 VanDerWaalsContact C-N 3.35Å
304S77Confident66.3Low15 Ų1570 Ų7011%0.10541%0.411CS..  trans-102.7107.8160.759.90000106.6S247 S253S247-S304 WeakPolarHBondContact O-CB 3.47Å; S253-S304 WeakPolarHBondContact O-CB 3.35Å
305E85.1Confident67.7Low55 Ų5572.4 Ų72.426%0.25741%0.411SS..  trans-93.2115.7173.6-73.7169.7-112.200108.2A248 K249 Q252A248-E305 CarbonylContact C-O 3.55Å; A248-E305 WeakPolarHBondContact CA-O 3.26Å; K249-E305 WeakPolarHBondContact CE-OE2 3.44Å; K249-E305 HydrophobicContact CG-CB 4.38Å; K249-E305 PolarHBondContact N-O 3.25Å; K249-E305 IonicContact NZ-OE1 2.95Å; K249-E305 PolarHBondContact NZ-OE1 2.84Å; K249-E305 IonicContact NZ-OE2 3.78Å; K249-E305 PolarHBondContact NZ-OE2 2.86Å; Q252-E305 PolarHBondContact NE2-OE1 3.27Å
306P89.2Confident69Low2 Ų276.2 Ų76.21%0.01343%0.432CS..  trans-68.2142.2178.429.5-34.5000109.7S246 F259 F277 Y281 M284S246-P306 CarbonylContact O-C 3.55Å; S246-P306 WeakPolarHBondContact O-CA 3.31Å; S246-P306 VanDerWaalsContact O-CB 3.26Å; S246-P306 WeakPolarHBondContact O-CB 3.29Å; F259-P306 HydrophobicContact CD2-CB 4.11Å; F259-P306 HydrophobicContact CE2-CB 4.01Å; F277-P306 HydrophobicContact CE2-CB 4.42Å; F277-P306 HydrophobicContact CZ-CB 4.19Å; Y281-P306 HydrophobicContact CD2-CG 3.96Å; M284-P306 HydrophobicContact CB-CG 4.34Å; M284-P306 HydrophobicContact CE-CG 4.15Å; M284-P306 HydrophobicContact SD-CB 4.25Å; M284-P306 HydrophobicContact SD-CG 3.72Å
307T91.8Very high70.4Confident39 Ų3971.5 Ų71.524%0.23941%0.408CS..EExtended strand (participates in β ladder)trans-128.8149.9177.775.80000110.7V245 S246 K249V245-T307 WeakPolarHBondContact CA-O 3.41Å; S246-T307 PolarHBondContact N-O 3.44Å; S246-T307 PolarHBondContact O-N 3.37Å; S246-T307 PolarHBondContact OG-N 3.15Å; S246-T307 PolarHBondContact OG-O 3.11Å; S246-T307 PolarHBondContact OG-OG1 2.8Å; K249-T307 HydrophobicContact CG-CG2 3.97Å
308I92.4Very high72Confident46 Ų4670.8 Ų70.824%0.23639%0.388CS..EExtended strand (participates in β ladder)trans-127.9141.2-178.3-173.1158.7000110.3I243 A244 V245 F273 F277 Y310I243-I308 HydrophobicContact CG2-CD1 4.44Å; I243-I308 HydrophobicContact CG2-CG1 4.49Å; A244-I308 CarbonylContact O-C 3.47Å; A244-I308 VanDerWaalsContact O-CA 3.29Å; A244-I308 WeakPolarHBondContact O-CA 3.36Å; V245-I308 HydrophobicContact CG2-CD1 3.81Å; V245-I308 HydrophobicContact CG2-CG1 3.99Å; F273-I308 HydrophobicContact CD1-CD1 4.48Å; F273-I308 HydrophobicContact CE1-CD1 3.82Å; F277-I308 HydrophobicContact CB-CD1 4.28Å; F277-I308 HydrophobicContact CD1-CB 4.02Å; F277-I308 HydrophobicContact CD1-CD1 3.74Å; F277-I308 HydrophobicContact CD1-CG2 3.81Å; F277-I308 HydrophobicContact CD2-CD1 4.22Å; F277-I308 HydrophobicContact CE1-CB 3.55Å; F277-I308 HydrophobicContact CE1-CD1 4.16Å; F277-I308 HydrophobicContact CE1-CG1 4.48Å; F277-I308 HydrophobicContact CE1-CG2 3.39Å; F277-I308 HydrophobicContact CE2-CB 4.48Å; F277-I308 HydrophobicContact CG-CD1 3.77Å; F277-I308 HydrophobicContact CZ-CB 3.81Å; F277-I308 HydrophobicContact CZ-CG2 4.14Å; I308-Y310 HydrophobicContact CD1-CE1 3.72Å; I308-Y310 HydrophobicContact CD1-CE2 4Å; I308-Y310 WeakPolarHBondContact CD1-OH 3.29Å; I308-Y310 HydrophobicContact CG1-CD2 4.46Å; I308-Y310 HydrophobicContact CG1-CE1 4.15Å; I308-Y310 HydrophobicContact CG1-CE2 3.98Å; I308-Y310 HydrophobicContact CG2-CE2 4.01Å
309R92.7Very high73.6Confident32 Ų3264.3 Ų64.312%0.12136%0.36CS..EExtended strand (participates in β ladder)trans-125.3126.2169.5174.3-85.8-170.2-168.83.7109.9V230 L233 H239 V242 I243 A244V230-R309 HydrophobicContact CG1-CB 3.74Å; L233-R309 PolarHBondContact O-NE 3.44Å; L233-R309 PolarHBondContact O-NH2 2.95Å; H239-R309 PolarHBondContact O-NH1 2.79Å; V242-R309 PolarHBondContact O-NH1 3.42Å; I243-R309 WeakPolarHBondContact CA-O 3.34Å; A244-R309 PolarHBondContact N-O 2.91Å; A244-R309 PolarHBondContact O-N 2.77Å
310Y90.6Very high75.6Confident55 Ų5561.2 Ų61.222%0.21633%0.326CS..  trans-96.8151.2171.8-61.8-74000110.7I243 E274 I308 W314I243-Y310 HydrophobicContact CG2-CD1 3.83Å; I243-Y310 HydrophobicContact CG2-CE1 3.98Å; E274-Y310 WeakPolarHBondContact CB-OH 3.39Å; E274-Y310 VanDerWaalsContact CG-OH 3.28Å; E274-Y310 WeakPolarHBondContact CG-OH 3.39Å; I308-Y310 HydrophobicContact CD1-CE1 3.72Å; I308-Y310 HydrophobicContact CD1-CE2 4Å; I308-Y310 WeakPolarHBondContact CD1-OH 3.29Å; I308-Y310 HydrophobicContact CG1-CD2 4.46Å; I308-Y310 HydrophobicContact CG1-CE1 4.15Å; I308-Y310 HydrophobicContact CG1-CE2 3.98Å; I308-Y310 HydrophobicContact CG2-CE2 4.01Å; Y310-W314 AromaticContact CD1-CD1 3.37Å; Y310-W314 AromaticContact CD1-CD2 3.87Å; Y310-W314 HydrophobicContact CD1-CD2 3.87Å; Y310-W314 AromaticContact CD1-CE2 3.68Å; Y310-W314 AromaticContact CD1-CG 3.7Å; Y310-W314 HydrophobicContact CD1-CG 3.7Å; Y310-W314 HydrophobicContact CD1-CZ2 4.45Å; Y310-W314 AromaticContact CD1-NE1 3.33Å; Y310-W314 VanDerWaalsContact CD1-NE1 3.33Å; Y310-W314 AromaticContact CE1-CD1 3.92Å; Y310-W314 AromaticContact CE1-CE2 3.9Å; Y310-W314 HydrophobicContact CE1-CZ2 4.4Å; Y310-W314 AromaticContact CE1-NE1 3.45Å; Y310-W314 HydrophobicContact CG-CB 4.46Å; Y310-W314 AromaticContact CG-CD1 3.67Å; Y310-W314 HydrophobicContact CG-CG 4.01Å
311P87.7Confident77Confident7 Ų758.5 Ų58.55%0.04532%0.316CS..  trans-64.4152.3167.625.4-30000111.2N240 I243 N313 W314N240-P311 WeakPolarHBondContact O-CB 3.26Å; I243-P311 HydrophobicContact CG1-CG 4.48Å; P311-N313 PolarHBondContact O-N 3.31Å; P311-W314 HydrophobicContact CG-CB 4.03Å; P311-W314 HydrophobicContact CG-CE3 4.05Å; P311-W314 WeakPolarHBondContact O-CB 3.42Å; P311-W314 PolarHBondContact O-N 3.34Å
312G80.8Confident78.2Confident92 Ų9252.6 Ų52.695%0.94828%0.283SS*.THydrogen-bonded Turntrans-62.1-19.6-17200000115.6
313N76.9Confident78.8Confident124 Ų12450 Ų5066%0.66328%0.281SS*.THydrogen-bonded Turntrans-105.415176.865.8-14.9000113.1P311P311-N313 PolarHBondContact O-N 3.31Å
314W76.9Confident79.4Confident41 Ų4148.5 Ų48.516%0.15528%0.278CS..  trans-57.6138.1180-177.7-110.4000111.6I243 Y310 P311 K318I243-W314 HydrophobicContact CD1-CE3 3.93Å; I243-W314 HydrophobicContact CD1-CH2 3.28Å; I243-W314 HydrophobicContact CD1-CZ2 4.08Å; I243-W314 HydrophobicContact CD1-CZ3 3.2Å; I243-W314 HydrophobicContact CG1-CE3 4Å; I243-W314 HydrophobicContact CG1-CH2 4.16Å; I243-W314 HydrophobicContact CG1-CZ3 3.79Å; Y310-W314 AromaticContact CD1-CD1 3.37Å; Y310-W314 AromaticContact CD1-CD2 3.87Å; Y310-W314 HydrophobicContact CD1-CD2 3.87Å; Y310-W314 AromaticContact CD1-CE2 3.68Å; Y310-W314 AromaticContact CD1-CG 3.7Å; Y310-W314 HydrophobicContact CD1-CG 3.7Å; Y310-W314 HydrophobicContact CD1-CZ2 4.45Å; Y310-W314 AromaticContact CD1-NE1 3.33Å; Y310-W314 VanDerWaalsContact CD1-NE1 3.33Å; Y310-W314 AromaticContact CE1-CD1 3.92Å; Y310-W314 AromaticContact CE1-CE2 3.9Å; Y310-W314 HydrophobicContact CE1-CZ2 4.4Å; Y310-W314 AromaticContact CE1-NE1 3.45Å; Y310-W314 HydrophobicContact CG-CB 4.46Å; Y310-W314 AromaticContact CG-CD1 3.67Å; Y310-W314 HydrophobicContact CG-CG 4.01Å; P311-W314 HydrophobicContact CG-CB 4.03Å; P311-W314 HydrophobicContact CG-CE3 4.05Å; P311-W314 WeakPolarHBondContact O-CB 3.42Å; P311-W314 PolarHBondContact O-N 3.34Å; W314-K318 HydrophobicContact CH2-CB 4.32Å
315K72.6Confident79.2Confident144 Ų14448.2 Ų48.263%0.62628%0.275SS*.  trans-113.4129.9169.5-67.2-175.3-180-177.40107.4D317K315-D317 WeakPolarHBondContact CB-OD1 3.35Å; K315-D317 PolarHBondContact O-N 3.02Å
316N70.2Confident78.3Confident93 Ų9352.2 Ų52.250%0.49729%0.294SS..SBendtrans-72.834.5-176.6-62.812.4000112.3E274E274-N316 PolarHBondContact OE1-ND2 3.48Å; E274-N316 WeakPolarHBondContact OE2-CB 3.44Å; E274-N316 PolarHBondContact OE2-ND2 3.04Å; E274-N316 PolarHBondContact OE2-OD1 3Å; E274-N316 VanDerWaalsContact OE2-OD1 3.07Å
317D75.2Confident76.7Confident60 Ų6056.1 Ų56.132%0.32132%0.315SS..  trans-12626.8-165.671.4-14.5000111.4K315 P324 C325K315-D317 WeakPolarHBondContact CB-OD1 3.35Å; K315-D317 PolarHBondContact O-N 3.02Å; D317-P324 CarbonylContact O-C 3.55Å; D317-P324 WeakPolarHBondContact O-CA 3.38Å; D317-C325 VanDerWaalsContact C-CB 3.41Å; D317-C325 WeakPolarHBondContact O-CB 3.47Å; D317-C325 PolarHBondContact O-N 3.36Å
318K77.3Confident74.6Confident72 Ų7259.3 Ų59.331%0.31334%0.339SS..BIsolated β-bridgetrans-136142.9179.4-68.3177.3-179.7-175.30114.6F273 W314 A323F273-K318 PolarHBondContact N-O 2.55Å; W314-K318 HydrophobicContact CH2-CB 4.32Å; K318-A323 CarbonylContact C-O 3.5Å; K318-A323 WeakPolarHBondContact CA-O 3.3Å
319T77.8Confident72.3Confident7 Ų763.2 Ų63.24%0.04336%0.359CS..BIsolated β-bridgetrans-78.9169.3170.676.80000110.6Y218 V269 H270 D271 A321 G322 A323Y218-T319 PolarHBondContact OH-O 3.03Å; V269-T319 WeakPolarHBondContact O-CB 3.31Å; V269-T319 PolarHBondContact O-OG1 2.96Å; H270-T319 WeakPolarHBondContact O-CG2 3.44Å; D271-T319 VanDerWaalsContact O-CA 3.3Å; D271-T319 WeakPolarHBondContact O-CA 3.08Å; D271-T319 VanDerWaalsContact O-CB 3.27Å; D271-T319 WeakPolarHBondContact O-CB 3.29Å; T319-A321 PolarHBondContact O-N 3.27Å; T319-A321 PolarHBondContact OG1-N 3.19Å; T319-G322 PolarHBondContact O-N 3.31Å; T319-A323 HydrophobicContact CG2-CB 4.23Å; T319-A323 PolarHBondContact N-O 3.49Å; T319-A323 PolarHBondContact OG1-N 2.71Å
320M75.3Confident70Confident12 Ų1271.7 Ų71.76%0.05940%0.397CS..THydrogen-bonded Turntrans-61.3-23.7176.4-166.7165.954.600113.1W96 F263 V269 F273 G322W96-M320 HydrophobicContact CH2-CE 3.17Å; W96-M320 HydrophobicContact CH2-CG 3.94Å; W96-M320 HydrophobicContact CH2-SD 3.59Å; W96-M320 VanDerWaalsContact CH2-SD 3.59Å; W96-M320 HydrophobicContact CZ2-CE 3.58Å; W96-M320 HydrophobicContact CZ2-SD 4.44Å; W96-M320 HydrophobicContact CZ3-CE 4.18Å; W96-M320 HydrophobicContact CZ3-SD 4.4Å; F263-M320 HydrophobicContact CE1-SD 4.47Å; F263-M320 HydrophobicContact CZ-SD 4.03Å; V269-M320 HydrophobicContact CB-CE 4.48Å; V269-M320 HydrophobicContact CG2-CE 3.92Å; F273-M320 HydrophobicContact CD2-CB 4.11Å; F273-M320 HydrophobicContact CD2-CG 4.2Å; F273-M320 HydrophobicContact CD2-SD 4.33Å; F273-M320 HydrophobicContact CE2-CG 4.45Å; F273-M320 HydrophobicContact CE2-SD 4.2Å; M320-G322 VanDerWaalsContact C-N 3.28Å
321A70.5Confident68.1Low35 Ų3573 Ų7329%0.28940%0.403SS..THydrogen-bonded Turntrans-85.34.1173.500000113.6V269 T319 A323V269-A321 HydrophobicContact CG1-CB 3.9Å; T319-A321 PolarHBondContact O-N 3.27Å; T319-A321 PolarHBondContact OG1-N 3.19Å; A321-A323 VanDerWaalsContact C-N 3.28Å; A321-A323 PolarHBondContact O-N 3.5Å
322G70.4Confident66.2Low12 Ų1277 Ų7712%0.12442%0.424CS..SBendtrans78.27.9-17900000114.6T319 M320T319-G322 PolarHBondContact O-N 3.31Å; M320-G322 VanDerWaalsContact C-N 3.28Å
323A67.7Low64.9Low40 Ų4080.8 Ų80.833%0.33142%0.417SS..PPolyproline II helixtrans-74.9144.2175.800000110.2K318 T319 A321 C325K318-A323 CarbonylContact C-O 3.5Å; K318-A323 WeakPolarHBondContact CA-O 3.3Å; T319-A323 HydrophobicContact CG2-CB 4.23Å; T319-A323 PolarHBondContact N-O 3.49Å; T319-A323 PolarHBondContact OG1-N 2.71Å; A321-A323 VanDerWaalsContact C-N 3.28Å; A321-A323 PolarHBondContact O-N 3.5Å; A323-C325 PolarHBondContact O-N 3.4Å
324P70.2Confident63.9Low36 Ų3681.2 Ų81.223%0.23441%0.413CS..BIsolated β-bridgetrans-68130.7177.424.5-30.2000111.7D317 Y331 Y340D317-P324 CarbonylContact O-C 3.55Å; D317-P324 WeakPolarHBondContact O-CA 3.38Å; P324-Y331 WeakPolarHBondContact CG-OH 3.39Å; P324-Y340 HydrophobicContact CG-CE1 4.28Å
325C71.8Confident62.9Low8 Ų880.9 Ų80.95%0.05442%0.416CS..SBendtrans-77.8156171.1-81.20000112.7C272 D317 A323 N327C272-C325 WeakPolarHBondContact CA-SG 3.44Å; C272-C325 HydrophobicContact CB-CB 4.05Å; C272-C325 WeakPolarHBondContact CB-SG 3.36Å; C272-C325 WeakPolarHBondContact SG-CB 3.43Å; C272-C325 CovalentContact SG-SG 2.02Å; C272-C325 PolarHBondContact SG-SG 3.49Å; D317-C325 VanDerWaalsContact C-CB 3.41Å; D317-C325 WeakPolarHBondContact O-CB 3.47Å; D317-C325 PolarHBondContact O-N 3.36Å; A323-C325 PolarHBondContact O-N 3.4Å; C325-N327 PolarHBondContact O-N 2.88Å
326H66.5Low62Low139 Ų13975 Ų7564%0.64439%0.392SS*.SBendtrans56.79.5167.1-55.9-53.3000115.1C272 D275 S328C272-H326 PolarHBondContact SG-NE2 3.07Å; C272-H326 VanDerWaalsContact SG-NE2 3.38Å; D275-H326 IonicContact OD2-CE1 3.44Å; D275-H326 IonicContact OD2-NE2 3.31Å; D275-H326 PolarHBondContact OD2-NE2 2.79Å; D275-H326 VanDerWaalsContact OD2-NE2 3.14Å; H326-S328 PolarHBondContact O-N 3.21Å
327N55.3Low61.2Low84 Ų8473.4 Ų73.445%0.44939%0.389SS..  trans-78.590.3173.1-96.5-7000109.5C325 L329 Y331C325-N327 PolarHBondContact O-N 2.88Å; N327-L329 PolarHBondContact O-N 2.92Å; N327-Y331 PolarHBondContact ND2-OH 3.01Å
328S47.3Very low60Low107 Ų10776.3 Ų76.375%0.74840%0.4SS*.  trans-75.5016865.40000113.4H326 F330H326-S328 PolarHBondContact O-N 3.21Å; S328-F330 PolarHBondContact O-N 3.36Å
329L45.3Very low58.8Low127 Ų12777.3 Ų77.367%0.66541%0.409SS*.SBendtrans-82.9112.6-178.5-67.1172.7000108.8N327 Y331N327-L329 PolarHBondContact O-N 2.92Å; L329-Y331 VanDerWaalsContact C-N 3.34Å; L329-Y331 PolarHBondContact O-N 3.3Å
330F43.8Very low57.5Low210 Ų21080.4 Ų80.492%0.92142%0.42SS*.  trans-37.897.1165.9-62.6-88.2000109.9S328 N332S328-F330 PolarHBondContact O-N 3.36Å; F330-N332 PolarHBondContact O-N 3.49Å
331Y51.2Low56Low83 Ų8383.7 Ų83.733%0.32544%0.441SS..  trans-61.1115.2161.9-66.6-73.5000105P324 N327 L329 V336 Y340P324-Y331 WeakPolarHBondContact CG-OH 3.39Å; N327-Y331 PolarHBondContact ND2-OH 3.01Å; L329-Y331 VanDerWaalsContact C-N 3.34Å; L329-Y331 PolarHBondContact O-N 3.3Å; Y331-V336 HydrophobicContact CG-CG2 4.09Å; Y331-Y340 HydrophobicContact CD1-CD2 4.46Å; Y331-Y340 AromaticContact CD1-CE2 3.96Å; Y331-Y340 HydrophobicContact CD1-CE2 3.96Å; Y331-Y340 HydrophobicContact CE1-CD2 4.27Å; Y331-Y340 AromaticContact CE1-CE2 3.4Å; Y331-Y340 HydrophobicContact CE1-CE2 3.4Å; Y331-Y340 VanDerWaalsContact CE1-CE2 3.4Å; Y331-Y340 AromaticContact CZ-CE2 3.71Å; Y331-Y340 PolarHBondContact OH-OH 3.05Å
332N48.3Very low54.9Low91 Ų9182.3 Ų82.349%0.48743%0.431SS..  trans-63153167.16240.9000107.6F330 K334 S335 V336F330-N332 PolarHBondContact O-N 3.49Å; N332-K334 PolarHBondContact O-N 3.35Å; N332-K334 WeakPolarHBondContact OD1-CB 3.49Å; N332-K334 PolarHBondContact OD1-N 2.62Å; N332-S335 PolarHBondContact O-N 3.24Å; N332-S335 WeakPolarHBondContact OD1-CB 3.35Å; N332-S335 PolarHBondContact OD1-N 2.97Å; N332-S335 PolarHBondContact OD1-OG 3.47Å; N332-V336 PolarHBondContact O-N 3.01Å
333E51.6Low53.9Low172 Ų17284.3 Ų84.380%0.80444%0.442SS*.Hα-helixtrans-50.7-32.6-177.5-72.6-176.9156.300112.1S337E333-S337 VanDerWaalsContact O-CB 3.23Å; E333-S337 WeakPolarHBondContact O-CB 3.38Å; E333-S337 PolarHBondContact O-N 3.46Å; E333-S337 PolarHBondContact O-OG 3.4Å
334K57.1Low53Low133 Ų13386.2 Ų86.258%0.57844%0.444SS*.Hα-helixtrans-63.1-50.9175.3-174.8175.7177.7179.40112.1N332 V336 S337 E338N332-K334 PolarHBondContact O-N 3.35Å; N332-K334 WeakPolarHBondContact OD1-CB 3.49Å; N332-K334 PolarHBondContact OD1-N 2.62Å; K334-V336 VanDerWaalsContact C-N 3.34Å; K334-V336 PolarHBondContact O-N 2.96Å; K334-S337 WeakPolarHBondContact CA-OG 3.25Å; K334-S337 CarbonylContact O-C 3.6Å; K334-S337 PolarHBondContact O-N 3.01Å; K334-S337 VanDerWaalsContact O-N 3.13Å; K334-S337 PolarHBondContact O-OG 3.38Å; K334-E338 WeakPolarHBondContact CE-OE1 3.38Å; K334-E338 HydrophobicContact CG-CG 4.25Å; K334-E338 WeakPolarHBondContact CG-OE1 3.44Å; K334-E338 IonicContact NZ-OE1 3.79Å; K334-E338 WeakPolarHBondContact O-CB 3.14Å; K334-E338 VanDerWaalsContact O-CG 3.28Å; K334-E338 WeakPolarHBondContact O-CG 3.14Å; K334-E338 PolarHBondContact O-N 3.01Å
335S56.4Low51.9Low33 Ų3386 Ų8623%0.23144%0.441CS..Hα-helixtrans-64.6-35.9178.4-64.70000112.6N332 N339N332-S335 PolarHBondContact O-N 3.24Å; N332-S335 WeakPolarHBondContact OD1-CB 3.35Å; N332-S335 PolarHBondContact OD1-N 2.97Å; N332-S335 PolarHBondContact OD1-OG 3.47Å; S335-N339 WeakPolarHBondContact O-CB 3.34Å; S335-N339 PolarHBondContact O-N 3.41Å; S335-N339 VanDerWaalsContact O-N 3.09Å; S335-N339 PolarHBondContact O-ND2 3.48Å
336V53.1Low50.7Low20 Ų2087.3 Ų87.312%0.12145%0.449CS..Hα-helixtrans-64.5-47.9171.3-173.90000109.6P89 Y331 N332 K334 E338 Y340 V341P89-V336 HydrophobicContact CB-CG1 4.09Å; P89-V336 WeakPolarHBondContact O-CG1 3.22Å; Y331-V336 HydrophobicContact CG-CG2 4.09Å; N332-V336 PolarHBondContact O-N 3.01Å; K334-V336 VanDerWaalsContact C-N 3.34Å; K334-V336 PolarHBondContact O-N 2.96Å; V336-E338 VanDerWaalsContact C-N 3.34Å; V336-E338 PolarHBondContact O-N 2.59Å; V336-Y340 CarbonylContact O-C 3.59Å; V336-Y340 WeakPolarHBondContact O-CA 3.45Å; V336-Y340 WeakPolarHBondContact O-CB 3.49Å; V336-Y340 PolarHBondContact O-N 3.09Å; V336-V341 HydrophobicContact CG1-CG2 4.2Å; V336-V341 PolarHBondContact O-N 3.3Å
337S52.2Low49.7Very low60 Ų6084.3 Ų84.342%0.4244%0.441SS..Hα-helixtrans-64.1-35.3-179.676.20000114.3E333 K334E333-S337 VanDerWaalsContact O-CB 3.23Å; E333-S337 WeakPolarHBondContact O-CB 3.38Å; E333-S337 PolarHBondContact O-N 3.46Å; E333-S337 PolarHBondContact O-OG 3.4Å; K334-S337 WeakPolarHBondContact CA-OG 3.25Å; K334-S337 CarbonylContact O-C 3.6Å; K334-S337 PolarHBondContact O-N 3.01Å; K334-S337 VanDerWaalsContact O-N 3.13Å; K334-S337 PolarHBondContact O-OG 3.38Å
338E52Low49.2Very low122 Ų12284.5 Ų84.557%0.5745%0.446SS*.Hα-helixtrans-82.3-36.9-176.4-74.7175.9166.300112.1K334 V336K334-E338 WeakPolarHBondContact CE-OE1 3.38Å; K334-E338 HydrophobicContact CG-CG 4.25Å; K334-E338 WeakPolarHBondContact CG-OE1 3.44Å; K334-E338 IonicContact NZ-OE1 3.79Å; K334-E338 WeakPolarHBondContact O-CB 3.14Å; K334-E338 VanDerWaalsContact O-CG 3.28Å; K334-E338 WeakPolarHBondContact O-CG 3.14Å; K334-E338 PolarHBondContact O-N 3.01Å; V336-E338 VanDerWaalsContact C-N 3.34Å; V336-E338 PolarHBondContact O-N 2.59Å
339N50.1Low49.1Very low93 Ų9382.7 Ų82.750%0.49744%0.437SS..Hα-helixtrans-108.6-19.2-171.3-56.8-63.8000114.2S335S335-N339 WeakPolarHBondContact O-CB 3.34Å; S335-N339 PolarHBondContact O-N 3.41Å; S335-N339 VanDerWaalsContact O-N 3.09Å; S335-N339 PolarHBondContact O-ND2 3.48Å
340Y51.1Low49.1Very low71 Ų7180.7 Ų80.728%0.27843%0.43SS..THydrogen-bonded Turntrans-138.5-3.9-166.8-57-75.7000115.4P324 Y331 V336P324-Y340 HydrophobicContact CG-CE1 4.28Å; Y331-Y340 HydrophobicContact CD1-CD2 4.46Å; Y331-Y340 AromaticContact CD1-CE2 3.96Å; Y331-Y340 HydrophobicContact CD1-CE2 3.96Å; Y331-Y340 HydrophobicContact CE1-CD2 4.27Å; Y331-Y340 AromaticContact CE1-CE2 3.4Å; Y331-Y340 HydrophobicContact CE1-CE2 3.4Å; Y331-Y340 VanDerWaalsContact CE1-CE2 3.4Å; Y331-Y340 AromaticContact CZ-CE2 3.71Å; Y331-Y340 PolarHBondContact OH-OH 3.05Å; V336-Y340 CarbonylContact O-C 3.59Å; V336-Y340 WeakPolarHBondContact O-CA 3.45Å; V336-Y340 WeakPolarHBondContact O-CB 3.49Å; V336-Y340 PolarHBondContact O-N 3.09Å
341V44.8Very low49.2Very low81 Ų8175 Ų7549%0.49140%0.403SS..SBendtrans-88.3116.9175.7171.40000110.8V336V336-V341 HydrophobicContact CG1-CG2 4.2Å; V336-V341 PolarHBondContact O-N 3.3Å
342G46.9Very low48.9Very low7 Ų777.7 Ų77.77%0.07242%0.416CS..SBendtrans104.3165.6-176.600000111.6Q344G342-Q344 PolarHBondContact O-N 3.34Å
343C48.5Very low48.6Very low54 Ų5477.8 Ų77.837%0.36542%0.424SS..SBendtrans-51119.7158.5-59.40000105.4N345 V346C343-N345 PolarHBondContact O-N 2.86Å; C343-V346 HydrophobicContact CB-CB 4.07Å; C343-V346 HydrophobicContact CB-CG2 3.61Å; C343-V346 PolarHBondContact O-N 3.23Å
344Q49.6Very low48.3Very low79 Ų7972.8 Ų72.837%0.36942%0.419SS..THydrogen-bonded Turntrans-61.7-10.8-160.6-60.3177-4.800112.7D170 K215 G342D170-Q344 VanDerWaalsContact OD2-CB 3.29Å; D170-Q344 WeakPolarHBondContact OD2-CB 3.01Å; D170-Q344 WeakPolarHBondContact OD2-CG 3.25Å; D170-Q344 PolarHBondContact OD2-N 2.9Å; K215-Q344 VanDerWaalsContact NZ-CB 3.31Å; G342-Q344 PolarHBondContact O-N 3.34Å
345N47.9Very low47.6Very low32 Ų3274.8 Ų74.817%0.17142%0.423CS..THydrogen-bonded Turntrans-111-14.2178.9-53.9-34000113.8N167 D170 K215 C343 P347N167-N345 VanDerWaalsContact C-CB 3.5Å; N167-N345 HydrophobicContact CB-CB 3.4Å; N167-N345 VanDerWaalsContact CB-CB 3.4Å; N167-N345 WeakPolarHBondContact CB-O 3.38Å; N167-N345 CarbonylContact O-C 3.48Å; N167-N345 WeakPolarHBondContact O-CB 2.91Å; D170-N345 VanDerWaalsContact OD1-CG 3.31Å; D170-N345 PolarHBondContact OD1-ND2 2.98Å; D170-N345 PolarHBondContact OD1-OD1 2.95Å; K215-N345 WeakPolarHBondContact CE-OD1 3.46Å; K215-N345 PolarHBondContact NZ-OD1 2.91Å; C343-N345 PolarHBondContact O-N 2.86Å; N345-P347 WeakPolarHBondContact O-CD 3.18Å
346V46.2Very low46.5Very low35 Ų3578.1 Ų78.121%0.21244%0.438CS..SBendtrans-72.9115.7173.2177.70000107.6C343 T348 V350C343-V346 HydrophobicContact CB-CB 4.07Å; C343-V346 HydrophobicContact CB-CG2 3.61Å; C343-V346 PolarHBondContact O-N 3.23Å; V346-T348 PolarHBondContact O-N 2.91Å; V346-V350 HydrophobicContact CG1-CB 3.62Å; V346-V350 HydrophobicContact CG1-CG1 3.65Å
347P45.2Very low45.6Very low76 Ų7683.4 Ų83.449%0.49447%0.473SS..  trans-53134.9-179.4-24.733.9000109.6N345 A349 V350 W351N345-P347 WeakPolarHBondContact O-CD 3.18Å; P347-A349 PolarHBondContact O-N 3.41Å; P347-V350 HydrophobicContact CB-CG2 4.25Å; P347-V350 HydrophobicContact CG-CG2 4.28Å; P347-V350 WeakPolarHBondContact O-CA 3.2Å; P347-V350 WeakPolarHBondContact O-CB 3.48Å; P347-V350 PolarHBondContact O-N 3.4Å; P347-W351 PolarHBondContact O-N 2.64Å
348T45.3Very low45Very low88 Ų8884.4 Ų84.454%0.5449%0.485SS..Hα-helixtrans-48.7-32.8-178.7-49.30000112.3V346 V350 W351 F352V346-T348 PolarHBondContact O-N 2.91Å; T348-V350 PolarHBondContact O-N 3.49Å; T348-W351 WeakPolarHBondContact O-CB 3.44Å; T348-W351 PolarHBondContact O-N 3.2Å; T348-F352 HydrophobicContact CG2-CD2 3.68Å; T348-F352 HydrophobicContact CG2-CE2 3.38Å; T348-F352 WeakPolarHBondContact O-CD2 3.44Å; T348-F352 PolarHBondContact O-N 2.9Å
349A43.6Very low44.2Very low69 Ų6989 Ų8957%0.5750%0.497SS*.Hα-helixtrans-59.5-38.4173.600000114.4P347 S353P347-A349 PolarHBondContact O-N 3.41Å; A349-S353 WeakPolarHBondContact O-CB 3.46Å; A349-S353 PolarHBondContact O-N 2.93Å; A349-S353 PolarHBondContact O-OG 3.23Å
350V47.2Very low43.4Very low85 Ų8590.3 Ų90.352%0.51551%0.513SS..Hα-helixtrans-70.3-40.1176.7178.20000110.1V346 P347 T348 F352 S353 G354V346-V350 HydrophobicContact CG1-CB 3.62Å; V346-V350 HydrophobicContact CG1-CG1 3.65Å; P347-V350 HydrophobicContact CB-CG2 4.25Å; P347-V350 HydrophobicContact CG-CG2 4.28Å; P347-V350 WeakPolarHBondContact O-CA 3.2Å; P347-V350 WeakPolarHBondContact O-CB 3.48Å; P347-V350 PolarHBondContact O-N 3.4Å; T348-V350 PolarHBondContact O-N 3.49Å; V350-F352 PolarHBondContact O-N 3.08Å; V350-S353 PolarHBondContact O-N 2.93Å; V350-G354 PolarHBondContact O-N 3.41Å
351W45.4Very low42.4Very low92 Ų9291.8 Ų91.835%0.34853%0.534SS..Hα-helixtrans-57.8-45.9173-108.186.7000112.7P347 T348P347-W351 PolarHBondContact O-N 2.64Å; T348-W351 WeakPolarHBondContact O-CB 3.44Å; T348-W351 PolarHBondContact O-N 3.2Å
352F43.8Very low41.8Very low138 Ų13896.7 Ų96.761%0.60555%0.549SS*.Hα-helixtrans-73.3-27.7178.6-77.5-66.5000113.7T348 V350 G354T348-F352 HydrophobicContact CG2-CD2 3.68Å; T348-F352 HydrophobicContact CG2-CE2 3.38Å; T348-F352 WeakPolarHBondContact O-CD2 3.44Å; T348-F352 PolarHBondContact O-N 2.9Å; V350-F352 PolarHBondContact O-N 3.08Å; F352-G354 VanDerWaalsContact C-N 3.35Å
353S43.4Very low41.2Very low93 Ų93104.6 Ų104.665%0.6559%0.589SS**Hα-helixtrans-69.6-31.9177.8-61.50000112.4A349 V350A349-S353 WeakPolarHBondContact O-CB 3.46Å; A349-S353 PolarHBondContact O-N 2.93Å; A349-S353 PolarHBondContact O-OG 3.23Å; V350-S353 PolarHBondContact O-N 2.93Å
354G43.6Very low40.4Very low68 Ų68109.5 Ų109.570%0.70161%0.606SS**Hα-helixtrans-76.2-20.8178.100000115.4V350 F352 N356V350-G354 PolarHBondContact O-N 3.41Å; F352-G354 VanDerWaalsContact C-N 3.35Å; G354-N356 VanDerWaalsContact C-N 3.34Å; G354-N356 PolarHBondContact O-N 3.24Å
355R44.2Very low39.5Very low174 Ų174112.3 Ų112.366%0.65762%0.623SS**THydrogen-bonded Turntrans-840.8-178.3-81.1-175.4176.7-178.6-3114.9P357R355-P357 WeakPolarHBondContact O-CD 3.35Å
356N32.1Very low38.7Very low103 Ų103116 Ų11655%0.55165%0.651SS**  trans-113.883.4178.4-104.6-38.4000112.1G354 A358G354-N356 VanDerWaalsContact C-N 3.34Å; G354-N356 PolarHBondContact O-N 3.24Å; N356-A358 PolarHBondContact O-N 3.11Å
357P34.3Very low38.1Very low131 Ų131123.2 Ų123.285%0.85169%0.687SS**THydrogen-bonded Turntrans-69.58.8174.225.8-30000114.2R355R355-P357 WeakPolarHBondContact O-CD 3.35Å
358A39.2Very low37.4Very low82 Ų82122.5 Ų122.568%0.67869%0.694SS**THydrogen-bonded Turntrans-114.76.1-175.800000115.3N356N356-A358 PolarHBondContact O-N 3.11Å
359R35.4Very low36.9Very low218 Ų218127.7 Ų127.782%0.82371%0.709SS**SBendtrans-131.9-3-176.4-108-179.3179.8-176.5-0.1118.2
360S33.3Very low36.4Very low120 Ų120133.3 Ų133.384%0.83972%0.723SS**SBendtrans-901.1178.781.80000115.4
361S30.9Very low35.6Very low102 Ų102133.8 Ų133.871%0.71373%0.73SS**SBendtrans-102.86317254.10000111.4
362K31.1Very low35Very low185 Ų185135.5 Ų135.580%0.80475%0.751SS**  trans172.667.6158.2-96.8163.9-169.8-1740110.1
363L34Very low34.5Very low173 Ų173133.2 Ų133.291%0.90676%0.757SS**  trans-138.983.7142.5-15274.1000106.8D365L363-D365 PolarHBondContact O-N 3.24Å
364H33Very low33.9Very low157 Ų157140.2 Ų140.273%0.72777%0.769SS**  trans-36.7129.5163.8-96.9-104.6000110
365D30.2Very low33.4Very low138 Ų138141 Ų14174%0.73876%0.764SS**SBend36.6119.195.6-85.2-24.2000113.4L363L363-D365 PolarHBondContact O-N 3.24Å
366S32Very low32.8Very low108 Ų108141.3 Ų141.376%0.75577%0.77SS**  trans8780.7156.9-39.10000117.1
367I33Very low32.9Very low188 Ų188145 Ų14596%0.96478%0.784SS**  trans-115.674.8136-59.6-179.5000107.5
368G31.1Very low32.5Very low61 Ų61143.9 Ų143.963%0.62978%0.775SS**  trans-131.9110.1156.100000106.4
369K34.9Very low32.1Very low197 Ų197149.2 Ų149.286%0.85778%0.784SS**  trans84.893.3168.3-57.9176.8179.3177.20117.9
370Q32.3Very low31.9Very low186 Ų186144.8 Ų144.887%0.86978%0.775SS**  53.2133.8116.5-73.4179.60.800120.5
371S29.9Very low31.9Very low95 Ų95145.3 Ų145.366%0.66477%0.772SS**  trans87.394132.51770000117.6
372T34Very low32Very low129 Ų129148.6 Ų148.679%0.79178%0.777SS**  153.214394.536.40000113.9
373A33.4Very low31.9Very low89 Ų89147.7 Ų147.774%0.73678%0.775SS**  trans73.8104.6151.800000118.6
374R30.7Very low31.9Very low240 Ų240146.6 Ų146.691%0.90677%0.77SS**  88123.491.2-146.1178.9-166.9-172.14.2109.1
375S33Very low32.1Very low84 Ų84146 Ų14659%0.58777%0.768SS**  cis-172140.938.8-1550000109.9
376K31.4Very low32.6Very low182 Ų182146.6 Ų146.679%0.79177%0.766SS**  trans51.8129.9136.9-64.6177.3-179.2-173.80118.5
377Q33.4Very low32.9Very low179 Ų179146.7 Ų146.784%0.83676%0.758SS**  -166.5141.752.7-132.7156.8-3.900111.5
378T27.2Very low33.2Very low108 Ų108144.7 Ų144.766%0.66374%0.744SS**  trans-109.2150.7-177.4-36.50000110.2I380T378-I380 HydrophobicContact CG2-CD1 4.41Å; T378-I380 HydrophobicContact CG2-CG1 3.89Å
379F30.6Very low33.7Very low195 Ų195149.2 Ų149.286%0.85575%0.749SS**  trans-158.1103.3146-85.7-76.7000105.7
380I29.7Very low33.9Very low124 Ų124146.7 Ų146.764%0.63674%0.744SS**  45.2122.677.7-34.9173.8000110.5T378T378-I380 HydrophobicContact CG2-CD1 4.41Å; T378-I380 HydrophobicContact CG2-CG1 3.89Å
381V33.6Very low34.6Very low131 Ų131147 Ų14779%0.79477%0.766SS**  -159.515370.8171.10000112.6
382E32.7Very low34.9Very low172 Ų172149.6 Ų149.680%0.80477%0.771SS**  trans-56.8162.9-177.7-76.6153.9131.900119.5
383H29.3Very low34.9Very low165 Ų165150.6 Ų150.676%0.76477%0.77SS**  trans-32.6143.4151-97.3-102.8000115.1
384D35.7Very low35Very low150 Ų150154.1 Ų154.180%0.80277%0.772SS**  -167.6157.1102.5-110.9-25.5000114.7
385Q36.9Very low35.3Very low145 Ų145149 Ų14968%0.67876%0.764SS**  trans-67.5148.4-174.8-59.5170.5-29.500113.2
386H39.4Very low35.4Very low151 Ų151153.1 Ų153.170%0.69978%0.775SS**  152.6136.5110.6-107.5-74.2000113.1
387N39.6Very low35.7Very low110 Ų110151.1 Ų151.159%0.58877%0.774SS**  trans61.5120.6142.1-85.426.7000122.6
388E38.1Very low35.8Very low146 Ų146149.1 Ų149.168%0.68277%0.77SS**  85.1110.7120.7-73.2-178.1133.400119.9
389H41.2Very low36.5Very low155 Ų155152.3 Ų152.372%0.71878%0.778SS**  84.5131.1122.2-98.2-55.1000121.3
390L40.5Very low37Very low144 Ų144148.8 Ų148.875%0.75477%0.772SS**  trans79.781.5138.3-81.9149.1000118.2
391S47.3Very low37.6Very low192 Ų192151 Ų151100%1.34378%0.784SS**  166.60104.3-72.10000111

Retrieved 391 of 391 residues in 420.5 ms (Link to these results)

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