A0A060W9J9_ONCMY Loading...

Dihydropteridine reductase

Catalyzes the conversion of quinonoid dihydrobiopterin into tetrahydrobiopterin.

AlphaFold DB , UniProt , Accession A0A060W9J9, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene n/a, Length 236 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
1M43.6Very low88.1Confident242 Ų24244.7 Ų44.7100%1.19227%0.271SS*.  0137.50-72-169.3-8300108.1A3M1-A3 PolarHBondContact O-N 3.26Å
2A54Low88.9Confident96 Ų9648.5 Ų48.579%0.79328%0.277SS*.PPolyproline II helixtrans-64.2122.1174.100000108.4S4A2-S4 PolarHBondContact O-N 2.65Å
3A82.4Confident89.5Confident52 Ų5247.5 Ų47.543%0.4328%0.283SS..PPolyproline II helixtrans-60.9135.5175.800000109.4M1M1-A3 PolarHBondContact O-N 3.26Å
4S97.5Very high90.1Very high41 Ų4147.6 Ų47.629%0.28729%0.292SS..PPolyproline II helixtrans-59.7143.2170.8-610000110.2A2 W29 D74A2-S4 PolarHBondContact O-N 2.65Å; S4-W29 PolarHBondContact O-N 3.31Å; S4-D74 VanDerWaalsContact CA-OD2 3.24Å; S4-D74 WeakPolarHBondContact CA-OD2 3.49Å
5R98.8Very high90.6Very high46 Ų4645.5 Ų45.517%0.17428%0.279CS..EExtended strand (participates in β ladder)trans-126.9137.4-171.5-68.3174.4178.7-95.3-0.2111.2W29 V73 D74 A75R5-W29 WeakPolarHBondContact CA-O 3.42Å; R5-W29 HydrophobicContact CB-CE3 3.89Å; R5-W29 HydrophobicContact CB-CZ3 4.47Å; R5-W29 HydrophobicContact CG-CB 4.11Å; R5-W29 HydrophobicContact CG-CD2 4.27Å; R5-W29 HydrophobicContact CG-CE3 3.71Å; R5-W29 HydrophobicContact CG-CG 4.46Å; R5-W29 HydrophobicContact CG-CZ3 4.49Å; R5-V73 HydrophobicContact CB-CB 4.18Å; R5-V73 HydrophobicContact CB-CG1 3.9Å; R5-D74 PolarHBondContact N-OD2 3.49Å; R5-D74 PolarHBondContact O-N 2.95Å; R5-A75 PolarHBondContact O-N 2.9Å
6V98.9Very high91.1Very high0 Ų042.8 Ų42.80%026%0.262CS..EExtended strand (participates in β ladder)trans-134138.8174.858.70000111.2V8 F23 W28 W29 V30 A31 A75 L77V6-V8 HydrophobicContact CG2-CG2 4.21Å; V6-F23 HydrophobicContact CB-CD1 4.16Å; V6-F23 HydrophobicContact CB-CE1 4.4Å; V6-F23 HydrophobicContact CG1-CB 4.03Å; V6-F23 HydrophobicContact CG1-CD1 3.65Å; V6-F23 HydrophobicContact CG1-CE1 4.36Å; V6-F23 HydrophobicContact CG1-CG 4Å; V6-F23 HydrophobicContact CG2-CD1 4.42Å; V6-F23 HydrophobicContact CG2-CE1 4.36Å; V6-W28 HydrophobicContact CB-CE3 3.9Å; V6-W28 HydrophobicContact CB-CZ3 4.18Å; V6-W28 HydrophobicContact CG1-CE3 4.03Å; V6-W29 PolarHBondContact N-O 3Å; V6-V30 HydrophobicContact CG1-CB 4.16Å; V6-V30 HydrophobicContact CG1-CG1 4.09Å; V6-V30 HydrophobicContact CG1-CG2 3.68Å; V6-V30 WeakPolarHBondContact O-CA 3.47Å; V6-A31 PolarHBondContact O-N 2.93Å; V6-A75 VanDerWaalsContact CA-O 3.31Å; V6-A75 WeakPolarHBondContact CA-O 3.4Å; V6-A75 HydrophobicContact CB-CB 4.42Å; V6-A75 HydrophobicContact CG2-CB 3.95Å; V6-L77 HydrophobicContact CG2-CD1 3.7Å; V6-L77 HydrophobicContact CG2-CG 3.79Å
7L98.9Very high91.6Very high1 Ų140.9 Ų40.91%0.00525%0.251CS..EExtended strand (participates in β ladder)trans-98.9133.9165.2-52.7-178.1000108.9W29 A31 I33 V64 L68 V73 A75 I76 L77L7-W29 HydrophobicContact CD2-CZ3 4.3Å; L7-A31 WeakPolarHBondContact CA-O 3.4Å; L7-A31 HydrophobicContact CD2-CB 3.57Å; L7-I33 HydrophobicContact CB-CD1 4.34Å; L7-I33 HydrophobicContact CD1-CD1 4.39Å; L7-V64 HydrophobicContact CD1-CG1 3.89Å; L7-L68 HydrophobicContact CD1-CD1 4.32Å; L7-L68 HydrophobicContact CD2-CD2 4.44Å; L7-V73 HydrophobicContact CD1-CG2 4.4Å; L7-V73 HydrophobicContact CD2-CG1 4.16Å; L7-V73 HydrophobicContact CG-CG1 4.03Å; L7-V73 HydrophobicContact CG-CG2 4.26Å; L7-A75 PolarHBondContact N-O 2.89Å; L7-I76 HydrophobicContact CB-CG1 4.24Å; L7-I76 HydrophobicContact CB-CG2 4.44Å; L7-I76 HydrophobicContact CD1-CD1 4.15Å; L7-I76 HydrophobicContact CD1-CG1 4.09Å; L7-I76 HydrophobicContact CG-CG1 4.32Å; L7-I76 WeakPolarHBondContact O-CA 3.5Å; L7-L77 PolarHBondContact O-N 3.33Å
8V98.9Very high92Very high0 Ų042 Ų420%025%0.252CS..EExtended strand (participates in β ladder)trans-117.6103.9175.2-173.10000108.6V6 G11 I19 V20 V30 A31 I33 V79V6-V8 HydrophobicContact CG2-CG2 4.21Å; V8-G11 PolarHBondContact O-N 3.11Å; V8-I19 HydrophobicContact CG1-CG2 4.21Å; V8-I19 HydrophobicContact CG2-CG2 3.78Å; V8-V20 HydrophobicContact CB-CG2 4.18Å; V8-V20 HydrophobicContact CG1-CG2 4.35Å; V8-V20 HydrophobicContact CG2-CG2 4.13Å; V8-V30 HydrophobicContact CG2-CG1 3.97Å; V8-A31 PolarHBondContact N-O 3.14Å; V8-I33 PolarHBondContact O-N 3.28Å; V8-V79 HydrophobicContact CG1-CG2 4.03Å
9Y98.9Very high92.3Very high7 Ų739.8 Ų39.83%0.02724%0.239CC..EExtended strand (participates in β ladder)trans-84.1119.5174.3-151.3-45.7000108.7I33 V47 V60 L77 V79 A80 T107 I110 S111Y9-I33 WeakPolarHBondContact CA-O 3.47Å; Y9-I33 HydrophobicContact CD1-CB 4.32Å; Y9-I33 HydrophobicContact CD1-CG2 4.15Å; Y9-I33 HydrophobicContact CD2-CB 4.2Å; Y9-I33 HydrophobicContact CD2-CD1 4.1Å; Y9-I33 HydrophobicContact CD2-CG2 3.94Å; Y9-I33 HydrophobicContact CE1-CG2 4.02Å; Y9-I33 HydrophobicContact CE2-CG2 3.82Å; Y9-I33 HydrophobicContact CG-CB 4.06Å; Y9-I33 HydrophobicContact CG-CG2 4.11Å; Y9-V47 HydrophobicContact CE1-CG2 4.1Å; Y9-V60 HydrophobicContact CE2-CG1 3.98Å; Y9-L77 PolarHBondContact N-O 3.3Å; Y9-V79 CarbonylContact O-C 3.58Å; Y9-V79 WeakPolarHBondContact O-CG2 3.35Å; Y9-V79 PolarHBondContact O-N 2.9Å; Y9-A80 HydrophobicContact CD1-CB 3.92Å; Y9-A80 PolarHBondContact O-N 3.47Å; Y9-T107 HydrophobicContact CD1-CG2 4.14Å; Y9-T107 HydrophobicContact CE1-CG2 3.63Å; Y9-I110 HydrophobicContact CE2-CB 4.12Å; Y9-I110 HydrophobicContact CE2-CG2 3.8Å; Y9-S111 WeakPolarHBondContact CD2-OG 3.18Å
10G98.6Very high92.6Very high7 Ų737.8 Ų37.87%0.07223%0.227CC..THydrogen-bonded Turntrans90.926.5-167.500000112.6R12 G13 G16 I33 D34G10-R12 PolarHBondContact O-N 3Å; G10-R12 VanDerWaalsContact O-N 3.15Å; G10-G13 PolarHBondContact O-N 3.2Å; G10-G16 WeakPolarHBondContact O-CA 3.45Å; G10-I33 PolarHBondContact N-O 3.41Å; G10-D34 WeakPolarHBondContact CA-OD2 3.48Å
11G98.3Very high92.9Very high0 Ų039.7 Ų39.70%023%0.233CC..THydrogen-bonded Turntrans-63-16.2-173.100000115.4V8 G16 S17 S32 D34V8-G11 PolarHBondContact O-N 3.11Å; G11-G16 CarbonylContact O-C 3.44Å; G11-S17 VanDerWaalsContact O-CA 3.29Å; G11-S17 WeakPolarHBondContact O-CA 3.31Å; G11-S17 PolarHBondContact O-N 3.13Å; G11-S17 PolarHBondContact O-OG 3.41Å; G11-S32 WeakPolarHBondContact CA-OG 3.45Å; G11-D34 PolarHBondContact N-OD2 3.23Å; G11-D34 VanDerWaalsContact N-OD2 3.16Å
12R97.9Very high95.5Very high90 Ų9029.6 Ų29.634%0.3418%0.183SC..THydrogen-bonded Turntrans-94.9-9.5173.8-81.1-70.6-3.7119.213.1114.2G10 S17 D34 V36 A37G10-R12 PolarHBondContact O-N 3Å; G10-R12 VanDerWaalsContact O-N 3.15Å; R12-S17 PolarHBondContact NH1-OG 3.2Å; R12-S17 PolarHBondContact NH2-OG 2.94Å; R12-S17 PolarHBondContact O-OG 2.97Å; R12-D34 HydrophobicContact CB-CB 4.2Å; R12-D34 WeakPolarHBondContact CB-OD2 3.16Å; R12-D34 HydrophobicContact CG-CB 4.4Å; R12-D34 PolarHBondContact N-OD2 3.22Å; R12-V36 HydrophobicContact CG-CB 4.12Å; R12-V36 HydrophobicContact CG-CG1 4.36Å; R12-V36 WeakPolarHBondContact CG-O 3.27Å; R12-A37 WeakPolarHBondContact CD-O 3.21Å
13G97.2Very high97.7Very high35 Ų3525 Ų2536%0.36115%0.145SC..SBendtrans-66.9165.3171.300000112.4G10 L15 G16 S17G10-G13 PolarHBondContact O-N 3.2Å; G13-L15 PolarHBondContact O-N 2.87Å; G13-G16 PolarHBondContact O-N 3.13Å; G13-S17 PolarHBondContact O-N 2.89Å; G13-S17 PolarHBondContact O-OG 3.1Å; G13-S17 VanDerWaalsContact O-OG 3.14Å
14A97.2Very high98.4Very high50 Ų5026.2 Ų26.241%0.41314%0.141SC..Hα-helixtrans-53.8-51-175.600000113T180 L198A14-T180 HydrophobicContact CB-CG2 3.68Å; A14-L198 HydrophobicContact CB-CD1 4.22Å
15L98.4Very high98.4Very high16 Ų1628.6 Ų28.68%0.08416%0.157CC..Hα-helixtrans-70-43.9176176.358.7000111.9G13 S17 K18 I19 V79 L178 L198 I201G13-L15 PolarHBondContact O-N 2.87Å; L15-S17 VanDerWaalsContact C-N 3.32Å; L15-S17 PolarHBondContact O-N 3.47Å; L15-K18 WeakPolarHBondContact O-CB 3.38Å; L15-K18 PolarHBondContact O-N 3.13Å; L15-K18 VanDerWaalsContact O-N 3.13Å; L15-I19 HydrophobicContact CD1-CD1 3.92Å; L15-I19 HydrophobicContact CD1-CG1 4.11Å; L15-I19 HydrophobicContact CD2-CD1 4.33Å; L15-I19 HydrophobicContact CG-CD1 3.72Å; L15-I19 HydrophobicContact CG-CG1 4.36Å; L15-I19 WeakPolarHBondContact O-CG1 3.5Å; L15-I19 PolarHBondContact O-N 2.91Å; L15-V79 HydrophobicContact CD2-CB 4.05Å; L15-V79 HydrophobicContact CD2-CG1 3.75Å; L15-V79 HydrophobicContact CG-CB 4.35Å; L15-V79 HydrophobicContact CG-CG1 4.22Å; L15-L178 HydrophobicContact CB-CD1 4.37Å; L15-L178 HydrophobicContact CD2-CD1 4.13Å; L15-L198 HydrophobicContact CB-CD2 4.21Å; L15-L198 HydrophobicContact CD1-CB 4.32Å; L15-L198 HydrophobicContact CD1-CD2 4.25Å; L15-I201 HydrophobicContact CD1-CB 3.84Å; L15-I201 HydrophobicContact CD1-CD1 4.36Å; L15-I201 HydrophobicContact CD1-CG2 3.84Å; L15-I201 HydrophobicContact CD2-CD1 4.23Å; L15-I201 HydrophobicContact CD2-CG2 3.95Å; L15-I201 HydrophobicContact CG-CG2 4.49Å
16G98.6Very high98.4Very high1 Ų131.7 Ų31.71%0.0117%0.172CC..Hα-helixtrans-58.9-41-178.100000113.2G10 G11 G13 K18 I19 V20G10-G16 WeakPolarHBondContact O-CA 3.45Å; G11-G16 CarbonylContact O-C 3.44Å; G13-G16 PolarHBondContact O-N 3.13Å; G16-K18 PolarHBondContact O-N 3Å; G16-I19 WeakPolarHBondContact O-CB 3.47Å; G16-I19 PolarHBondContact O-N 3.03Å; G16-V20 WeakPolarHBondContact O-CG2 3.35Å; G16-V20 PolarHBondContact O-N 3.32Å
17S98.4Very high98.3Very high12 Ų1234.4 Ų34.48%0.08420%0.2CC..Hα-helixtrans-65.6-40.2176.6-60.50000112G11 R12 G13 L15 I19 V20 Q21G11-S17 VanDerWaalsContact O-CA 3.29Å; G11-S17 WeakPolarHBondContact O-CA 3.31Å; G11-S17 PolarHBondContact O-N 3.13Å; G11-S17 PolarHBondContact O-OG 3.41Å; R12-S17 PolarHBondContact NH1-OG 3.2Å; R12-S17 PolarHBondContact NH2-OG 2.94Å; R12-S17 PolarHBondContact O-OG 2.97Å; G13-S17 PolarHBondContact O-N 2.89Å; G13-S17 PolarHBondContact O-OG 3.1Å; G13-S17 VanDerWaalsContact O-OG 3.14Å; L15-S17 VanDerWaalsContact C-N 3.32Å; L15-S17 PolarHBondContact O-N 3.47Å; S17-I19 VanDerWaalsContact C-N 3.3Å; S17-I19 PolarHBondContact O-N 3.26Å; S17-V20 PolarHBondContact O-N 2.93Å; S17-Q21 VanDerWaalsContact O-CG 3.31Å; S17-Q21 WeakPolarHBondContact O-CG 3.24Å; S17-Q21 PolarHBondContact O-N 3.23Å
18K98.6Very high98.3Very high60 Ų6035.3 Ų35.326%0.26120%0.203SC..Hα-helixtrans-61.9-40.1174.7-170.262.155.3156.40111.6L15 G16 H22 L198 E199 A202L15-K18 WeakPolarHBondContact O-CB 3.38Å; L15-K18 PolarHBondContact O-N 3.13Å; L15-K18 VanDerWaalsContact O-N 3.13Å; G16-K18 PolarHBondContact O-N 3Å; K18-H22 VanDerWaalsContact O-CB 3.31Å; K18-H22 WeakPolarHBondContact O-CB 3.35Å; K18-H22 PolarHBondContact O-N 2.93Å; K18-L198 HydrophobicContact CB-CB 4.15Å; K18-L198 HydrophobicContact CG-CB 3.96Å; K18-E199 HydrophobicContact CD-CG 4.27Å; K18-E199 WeakPolarHBondContact CD-OE1 3.49Å; K18-E199 WeakPolarHBondContact CE-OE1 3.46Å; K18-E199 IonicContact NZ-OE1 2.66Å; K18-E199 PolarHBondContact NZ-OE1 3.28Å; K18-A202 HydrophobicContact CG-CB 4.28Å
19I98.8Very high98.3Very high0 Ų037.4 Ų37.40%021%0.211CC..Hα-helixtrans-64.8-46.6175.2-69.4166.7000110.9V8 L15 G16 S17 Q21 H22 F23 L77 V79 A202 F205V8-I19 HydrophobicContact CG1-CG2 4.21Å; V8-I19 HydrophobicContact CG2-CG2 3.78Å; L15-I19 HydrophobicContact CD1-CD1 3.92Å; L15-I19 HydrophobicContact CD1-CG1 4.11Å; L15-I19 HydrophobicContact CD2-CD1 4.33Å; L15-I19 HydrophobicContact CG-CD1 3.72Å; L15-I19 HydrophobicContact CG-CG1 4.36Å; L15-I19 WeakPolarHBondContact O-CG1 3.5Å; L15-I19 PolarHBondContact O-N 2.91Å; G16-I19 WeakPolarHBondContact O-CB 3.47Å; G16-I19 PolarHBondContact O-N 3.03Å; S17-I19 VanDerWaalsContact C-N 3.3Å; S17-I19 PolarHBondContact O-N 3.26Å; I19-Q21 VanDerWaalsContact C-N 3.35Å; I19-Q21 PolarHBondContact O-N 3.3Å; I19-H22 PolarHBondContact O-N 3.41Å; I19-F23 HydrophobicContact CG2-CD2 3.75Å; I19-F23 HydrophobicContact CG2-CE2 3.91Å; I19-F23 WeakPolarHBondContact O-CD2 2.92Å; I19-F23 PolarHBondContact O-N 2.71Å; I19-L77 HydrophobicContact CG2-CD1 3.48Å; I19-L77 VanDerWaalsContact CG2-CD1 3.48Å; I19-V79 HydrophobicContact CD1-CB 4.45Å; I19-V79 HydrophobicContact CD1-CG1 3.64Å; I19-V79 HydrophobicContact CD1-CG2 4.18Å; I19-A202 HydrophobicContact CG1-CB 4.12Å; I19-F205 HydrophobicContact CD1-CD2 3.64Å; I19-F205 HydrophobicContact CD1-CE2 3.81Å; I19-F205 HydrophobicContact CG1-CD2 4.34Å
20V98.8Very high98.3Very high0 Ų037 Ų370%021%0.21CC..Hα-helixtrans-55.6-51.1177.2169.50000110.2V8 G16 S17 H22 K24 V30 E40 A41V8-V20 HydrophobicContact CB-CG2 4.18Å; V8-V20 HydrophobicContact CG1-CG2 4.35Å; V8-V20 HydrophobicContact CG2-CG2 4.13Å; G16-V20 WeakPolarHBondContact O-CG2 3.35Å; G16-V20 PolarHBondContact O-N 3.32Å; S17-V20 PolarHBondContact O-N 2.93Å; V20-H22 PolarHBondContact O-N 2.79Å; V20-K24 HydrophobicContact CG1-CG 4.37Å; V20-K24 VanDerWaalsContact O-CB 3.27Å; V20-K24 WeakPolarHBondContact O-CB 3.31Å; V20-K24 WeakPolarHBondContact O-CG 3.31Å; V20-K24 PolarHBondContact O-N 3.46Å; V20-V30 HydrophobicContact CB-CG1 4.31Å; V20-V30 HydrophobicContact CG1-CG1 4.15Å; V20-V30 HydrophobicContact CG2-CG1 3.93Å; V20-E40 HydrophobicContact CG1-CB 4.08Å; V20-A41 HydrophobicContact CG1-CB 4.14Å
21Q98.6Very high98.3Very high78 Ų7836.7 Ų36.736%0.36421%0.206SC..Hα-helixtrans-58.1-47.6176.9-69172.5-4.800112.2S17 I19 K24 S25 E40S17-Q21 VanDerWaalsContact O-CG 3.31Å; S17-Q21 WeakPolarHBondContact O-CG 3.24Å; S17-Q21 PolarHBondContact O-N 3.23Å; I19-Q21 VanDerWaalsContact C-N 3.35Å; I19-Q21 PolarHBondContact O-N 3.3Å; Q21-K24 PolarHBondContact O-N 3.44Å; Q21-S25 WeakPolarHBondContact O-CB 3.47Å; Q21-S25 PolarHBondContact O-N 2.98Å; Q21-E40 WeakPolarHBondContact CG-OE2 3.48Å; Q21-E40 VanDerWaalsContact NE2-CD 3.34Å; Q21-E40 PolarHBondContact NE2-OE1 2.7Å; Q21-E40 PolarHBondContact NE2-OE2 3.47Å; Q21-E40 VanDerWaalsContact NE2-OE2 3.1Å
22H98.7Very high98.3Very high30 Ų3036.7 Ų36.714%0.13921%0.206CC..Hα-helixtrans-61.8-52.4-177.3-170.890.1000111.3K18 I19 V20 K24 S25 K26 A202 F206K18-H22 VanDerWaalsContact O-CB 3.31Å; K18-H22 WeakPolarHBondContact O-CB 3.35Å; K18-H22 PolarHBondContact O-N 2.93Å; I19-H22 PolarHBondContact O-N 3.41Å; V20-H22 PolarHBondContact O-N 2.79Å; H22-K24 VanDerWaalsContact C-N 3.34Å; H22-K24 PolarHBondContact O-N 2.92Å; H22-S25 WeakPolarHBondContact O-CB 3.35Å; H22-S25 PolarHBondContact O-N 3Å; H22-S25 VanDerWaalsContact O-N 3.14Å; H22-S25 PolarHBondContact O-OG 2.97Å; H22-K26 WeakPolarHBondContact O-CG 3.46Å; H22-K26 PolarHBondContact O-N 3.42Å; H22-A202 HydrophobicContact CB-CB 3.87Å; H22-F206 AromaticContact NE2-CG 3.9Å
23F98.6Very high98.4Very high0 Ų032.5 Ų32.50%019%0.191CC..Hα-helixtrans-64.9-37.6-179.5-83-105.2000112.2V6 I19 S25 K26 G27 W28 V30 L77 F205 F206 A209V6-F23 HydrophobicContact CB-CD1 4.16Å; V6-F23 HydrophobicContact CB-CE1 4.4Å; V6-F23 HydrophobicContact CG1-CB 4.03Å; V6-F23 HydrophobicContact CG1-CD1 3.65Å; V6-F23 HydrophobicContact CG1-CE1 4.36Å; V6-F23 HydrophobicContact CG1-CG 4Å; V6-F23 HydrophobicContact CG2-CD1 4.42Å; V6-F23 HydrophobicContact CG2-CE1 4.36Å; I19-F23 HydrophobicContact CG2-CD2 3.75Å; I19-F23 HydrophobicContact CG2-CE2 3.91Å; I19-F23 WeakPolarHBondContact O-CD2 2.92Å; I19-F23 PolarHBondContact O-N 2.71Å; F23-S25 VanDerWaalsContact C-N 3.35Å; F23-S25 PolarHBondContact O-N 2.96Å; F23-K26 CarbonylContact O-C 3.56Å; F23-K26 PolarHBondContact O-N 2.82Å; F23-K26 VanDerWaalsContact O-N 3.11Å; F23-G27 PolarHBondContact O-N 3.39Å; F23-W28 HydrophobicContact CB-CB 4.26Å; F23-W28 HydrophobicContact CD1-CB 4.34Å; F23-W28 AromaticContact CD1-CD2 3.75Å; F23-W28 HydrophobicContact CD1-CD2 3.75Å; F23-W28 AromaticContact CD1-CE3 3.65Å; F23-W28 HydrophobicContact CD1-CE3 3.65Å; F23-W28 HydrophobicContact CD1-CG 4.06Å; F23-W28 HydrophobicContact CD1-CZ3 4.2Å; F23-W28 HydrophobicContact CE1-CD2 4.21Å; F23-W28 AromaticContact CE1-CE3 3.92Å; F23-W28 HydrophobicContact CE1-CE3 3.92Å; F23-W28 HydrophobicContact CE1-CH2 4.38Å; F23-W28 AromaticContact CE1-CZ3 3.98Å; F23-W28 HydrophobicContact CE1-CZ3 3.98Å; F23-W28 WeakPolarHBondContact O-CB 3.37Å; F23-W28 PolarHBondContact O-N 3.1Å; F23-W28 VanDerWaalsContact O-N 3.13Å; F23-V30 HydrophobicContact CB-CG2 3.75Å; F23-L77 HydrophobicContact CD2-CD1 4.44Å; F23-L77 HydrophobicContact CE1-CD1 4.43Å; F23-L77 HydrophobicContact CE2-CD1 3.72Å; F23-L77 HydrophobicContact CZ-CD1 3.7Å; F23-F205 HydrophobicContact CE2-CB 4.33Å; F23-F205 HydrophobicContact CZ-CB 4.39Å; F23-F206 HydrophobicContact CD1-CD2 4.17Å; F23-F206 AromaticContact CE1-CD2 3.99Å; F23-F206 HydrophobicContact CE1-CD2 3.99Å; F23-F206 HydrophobicContact CE2-CB 4.15Å; F23-F206 HydrophobicContact CZ-CB 4.05Å; F23-F206 HydrophobicContact CZ-CD2 4.21Å; F23-A209 HydrophobicContact CE1-CB 4.04Å; F23-A209 HydrophobicContact CZ-CB 4.19Å
24K98.1Very high98.4Very high77 Ų7732 Ų3234%0.33518%0.179SC..Hα-helixtrans-58.6-44.5171.5-76-73.8-64-1720112.1V20 Q21 H22 K26 G27 V30 E40 N42V20-K24 HydrophobicContact CG1-CG 4.37Å; V20-K24 VanDerWaalsContact O-CB 3.27Å; V20-K24 WeakPolarHBondContact O-CB 3.31Å; V20-K24 WeakPolarHBondContact O-CG 3.31Å; V20-K24 PolarHBondContact O-N 3.46Å; Q21-K24 PolarHBondContact O-N 3.44Å; H22-K24 VanDerWaalsContact C-N 3.34Å; H22-K24 PolarHBondContact O-N 2.92Å; K24-K26 PolarHBondContact O-N 3.35Å; K24-G27 PolarHBondContact O-N 3Å; K24-V30 HydrophobicContact CD-CB 4.23Å; K24-V30 HydrophobicContact CD-CG2 3.99Å; K24-V30 HydrophobicContact CG-CB 4.28Å; K24-V30 HydrophobicContact CG-CG2 3.83Å; K24-E40 WeakPolarHBondContact CE-O 3.16Å; K24-N42 WeakPolarHBondContact CD-OD1 3.12Å; K24-N42 VanDerWaalsContact NZ-CG 3.35Å; K24-N42 PolarHBondContact NZ-ND2 3.45Å; K24-N42 VanDerWaalsContact NZ-ND2 3.13Å; K24-N42 PolarHBondContact NZ-OD1 2.8Å; K24-N42 VanDerWaalsContact NZ-OD1 3.13Å
25S97.8Very high98.5Very high91 Ų9134 Ų3464%0.63618%0.183SC*.Hα-helixtrans-63.3-21.5177.680.70000113.3Q21 H22 F23Q21-S25 WeakPolarHBondContact O-CB 3.47Å; Q21-S25 PolarHBondContact O-N 2.98Å; H22-S25 WeakPolarHBondContact O-CB 3.35Å; H22-S25 PolarHBondContact O-N 3Å; H22-S25 VanDerWaalsContact O-N 3.14Å; H22-S25 PolarHBondContact O-OG 2.97Å; F23-S25 VanDerWaalsContact C-N 3.35Å; F23-S25 PolarHBondContact O-N 2.96Å
26K97.8Very high98.5Very high110 Ų11037.3 Ų37.348%0.47820%0.203SC..THydrogen-bonded Turntrans-92.47175.7-58.4-66.1-177-179.40113.3H22 F23 K24 F206H22-K26 WeakPolarHBondContact O-CG 3.46Å; H22-K26 PolarHBondContact O-N 3.42Å; F23-K26 CarbonylContact O-C 3.56Å; F23-K26 PolarHBondContact O-N 2.82Å; F23-K26 VanDerWaalsContact O-N 3.11Å; K24-K26 PolarHBondContact O-N 3.35Å; K26-F206 HydrophobicContact CB-CD2 4.2Å; K26-F206 HydrophobicContact CB-CE2 3.42Å; K26-F206 VanDerWaalsContact CB-CE2 3.42Å; K26-F206 HydrophobicContact CB-CZ 3.76Å; K26-F206 HydrophobicContact CD-CE1 4.2Å; K26-F206 HydrophobicContact CD-CE2 4.27Å; K26-F206 HydrophobicContact CD-CZ 3.93Å; K26-F206 HydrophobicContact CG-CD2 3.92Å; K26-F206 HydrophobicContact CG-CE1 4.25Å; K26-F206 HydrophobicContact CG-CE2 3.5Å; K26-F206 HydrophobicContact CG-CG 4.45Å; K26-F206 HydrophobicContact CG-CZ 3.69Å
27G97.4Very high98.4Very high57 Ų5739.5 Ų39.559%0.58822%0.221SC*.THydrogen-bonded Turntrans78.813.6177.600000115F23 K24F23-G27 PolarHBondContact O-N 3.39Å; K24-G27 PolarHBondContact O-N 3Å
28W98.4Very high98.4Very high21 Ų2139 Ų398%0.0822%0.217CC..  trans-78.3148.3175.2-73.946.1000111V6 F23 V30 D74 F206 A209 T210V6-W28 HydrophobicContact CB-CE3 3.9Å; V6-W28 HydrophobicContact CB-CZ3 4.18Å; V6-W28 HydrophobicContact CG1-CE3 4.03Å; F23-W28 HydrophobicContact CB-CB 4.26Å; F23-W28 HydrophobicContact CD1-CB 4.34Å; F23-W28 AromaticContact CD1-CD2 3.75Å; F23-W28 HydrophobicContact CD1-CD2 3.75Å; F23-W28 AromaticContact CD1-CE3 3.65Å; F23-W28 HydrophobicContact CD1-CE3 3.65Å; F23-W28 HydrophobicContact CD1-CG 4.06Å; F23-W28 HydrophobicContact CD1-CZ3 4.2Å; F23-W28 HydrophobicContact CE1-CD2 4.21Å; F23-W28 AromaticContact CE1-CE3 3.92Å; F23-W28 HydrophobicContact CE1-CE3 3.92Å; F23-W28 HydrophobicContact CE1-CH2 4.38Å; F23-W28 AromaticContact CE1-CZ3 3.98Å; F23-W28 HydrophobicContact CE1-CZ3 3.98Å; F23-W28 WeakPolarHBondContact O-CB 3.37Å; F23-W28 PolarHBondContact O-N 3.1Å; F23-W28 VanDerWaalsContact O-N 3.13Å; W28-V30 HydrophobicContact CB-CG2 4.49Å; W28-D74 HydrophobicContact CH2-CB 3.67Å; W28-D74 HydrophobicContact CZ3-CB 3.58Å; W28-F206 HydrophobicContact CZ2-CE2 4.5Å; W28-F206 AromaticContact NE1-CE2 3.53Å; W28-A209 HydrophobicContact CH2-CB 3.82Å; W28-A209 HydrophobicContact CZ3-CB 4.36Å; W28-T210 HydrophobicContact CZ2-CG2 3.96Å
29W98.6Very high98.3Very high43 Ų4345.7 Ų45.716%0.16325%0.25CC..EExtended strand (participates in β ladder)trans-79.7126.4164.7178.895.3000109S4 R5 V6 L7 A31 N42 A43 L67 L68S4-W29 PolarHBondContact O-N 3.31Å; R5-W29 WeakPolarHBondContact CA-O 3.42Å; R5-W29 HydrophobicContact CB-CE3 3.89Å; R5-W29 HydrophobicContact CB-CZ3 4.47Å; R5-W29 HydrophobicContact CG-CB 4.11Å; R5-W29 HydrophobicContact CG-CD2 4.27Å; R5-W29 HydrophobicContact CG-CE3 3.71Å; R5-W29 HydrophobicContact CG-CG 4.46Å; R5-W29 HydrophobicContact CG-CZ3 4.49Å; V6-W29 PolarHBondContact N-O 3Å; L7-W29 HydrophobicContact CD2-CZ3 4.3Å; W29-A31 HydrophobicContact CH2-CB 3.64Å; W29-A31 HydrophobicContact CZ2-CB 4.39Å; W29-A31 HydrophobicContact CZ3-CB 3.8Å; W29-N42 WeakPolarHBondContact CA-OD1 3.39Å; W29-N42 VanDerWaalsContact CD1-CB 3.41Å; W29-N42 HydrophobicContact CD2-CB 4.37Å; W29-N42 HydrophobicContact CG-CB 4.05Å; W29-N42 VanDerWaalsContact NE1-CB 3.34Å; W29-A43 HydrophobicContact CH2-CB 4.31Å; W29-A43 HydrophobicContact CZ2-CB 3.71Å; W29-L67 HydrophobicContact CH2-CD2 4.02Å; W29-L67 HydrophobicContact CH2-CG 4.16Å; W29-L67 HydrophobicContact CZ2-CD1 4.36Å; W29-L67 HydrophobicContact CZ2-CG 4.49Å; W29-L68 HydrophobicContact CH2-CD2 3.96Å; W29-L68 HydrophobicContact CZ3-CD2 3.96Å
30V98.8Very high98.2Very high0 Ų049.6 Ų49.60%027%0.268CS..EExtended strand (participates in β ladder)trans-121.4126.6-173.6-175.60000110.5V6 V8 V20 F23 K24 W28 N42 A43V6-V30 HydrophobicContact CG1-CB 4.16Å; V6-V30 HydrophobicContact CG1-CG1 4.09Å; V6-V30 HydrophobicContact CG1-CG2 3.68Å; V6-V30 WeakPolarHBondContact O-CA 3.47Å; V8-V30 HydrophobicContact CG2-CG1 3.97Å; V20-V30 HydrophobicContact CB-CG1 4.31Å; V20-V30 HydrophobicContact CG1-CG1 4.15Å; V20-V30 HydrophobicContact CG2-CG1 3.93Å; F23-V30 HydrophobicContact CB-CG2 3.75Å; K24-V30 HydrophobicContact CD-CB 4.23Å; K24-V30 HydrophobicContact CD-CG2 3.99Å; K24-V30 HydrophobicContact CG-CB 4.28Å; K24-V30 HydrophobicContact CG-CG2 3.83Å; W28-V30 HydrophobicContact CB-CG2 4.49Å; V30-N42 PolarHBondContact N-OD1 2.7Å; V30-N42 WeakPolarHBondContact O-CB 3.38Å; V30-N42 PolarHBondContact O-N 2.9Å; V30-A43 PolarHBondContact O-N 2.92Å
31A98.9Very high98.2Very high0 Ų050.2 Ų50.20%027%0.273CS..EExtended strand (participates in β ladder)trans-105.5131.8165.700000110.6V6 L7 V8 W29 A43 L67V6-A31 PolarHBondContact O-N 2.93Å; L7-A31 WeakPolarHBondContact CA-O 3.4Å; L7-A31 HydrophobicContact CD2-CB 3.57Å; V8-A31 PolarHBondContact N-O 3.14Å; W29-A31 HydrophobicContact CH2-CB 3.64Å; W29-A31 HydrophobicContact CZ2-CB 4.39Å; W29-A31 HydrophobicContact CZ3-CB 3.8Å; A31-A43 WeakPolarHBondContact CA-O 3.2Å; A31-A43 HydrophobicContact CB-CB 4.28Å; A31-L67 HydrophobicContact CB-CD2 3.9Å
32S98.9Very high98.2Very high0 Ų050.1 Ų50.10%028%0.275CS..EExtended strand (participates in β ladder)trans-96130.4172.6176.30000109.9G11 A43 N44 V45G11-S32 WeakPolarHBondContact CA-OG 3.45Å; S32-A43 PolarHBondContact N-O 3.2Å; S32-N44 WeakPolarHBondContact CB-OD1 3.25Å; S32-N44 CarbonylContact O-C 3.49Å; S32-N44 VanDerWaalsContact O-CA 3.31Å; S32-N44 WeakPolarHBondContact O-CA 3.48Å; S32-V45 PolarHBondContact O-N 3.43Å
33I98.9Very high98.2Very high1 Ų149.5 Ų49.51%0.00528%0.275CS..EExtended strand (participates in β ladder)trans-112.2112171.5-49.5173.4000107L7 V8 Y9 G10 V45 V47 V60 V64 L114L7-I33 HydrophobicContact CB-CD1 4.34Å; L7-I33 HydrophobicContact CD1-CD1 4.39Å; V8-I33 PolarHBondContact O-N 3.28Å; Y9-I33 WeakPolarHBondContact CA-O 3.47Å; Y9-I33 HydrophobicContact CD1-CB 4.32Å; Y9-I33 HydrophobicContact CD1-CG2 4.15Å; Y9-I33 HydrophobicContact CD2-CB 4.2Å; Y9-I33 HydrophobicContact CD2-CD1 4.1Å; Y9-I33 HydrophobicContact CD2-CG2 3.94Å; Y9-I33 HydrophobicContact CE1-CG2 4.02Å; Y9-I33 HydrophobicContact CE2-CG2 3.82Å; Y9-I33 HydrophobicContact CG-CB 4.06Å; Y9-I33 HydrophobicContact CG-CG2 4.11Å; G10-I33 PolarHBondContact N-O 3.41Å; I33-V45 WeakPolarHBondContact CA-O 3.28Å; I33-V45 HydrophobicContact CG1-CB 4.18Å; I33-V45 HydrophobicContact CG2-CB 4.25Å; I33-V45 HydrophobicContact CG2-CG1 4.27Å; I33-V47 HydrophobicContact CG2-CG2 3.74Å; I33-V60 HydrophobicContact CG2-CG1 3.9Å; I33-V64 HydrophobicContact CD1-CG2 3.73Å; I33-V64 HydrophobicContact CG1-CG2 4.4Å; I33-L114 HydrophobicContact CD1-CD1 4.02Å
34D98.8Very high98.2Very high24 Ų2452.2 Ų52.213%0.12829%0.29CS..EExtended strand (participates in β ladder)trans-161.9172.8-176.5-148.7-61.4000110.5G10 G11 R12 V36 V45 L46 V47G10-D34 WeakPolarHBondContact CA-OD2 3.48Å; G11-D34 PolarHBondContact N-OD2 3.23Å; G11-D34 VanDerWaalsContact N-OD2 3.16Å; R12-D34 HydrophobicContact CB-CB 4.2Å; R12-D34 WeakPolarHBondContact CB-OD2 3.16Å; R12-D34 HydrophobicContact CG-CB 4.4Å; R12-D34 PolarHBondContact N-OD2 3.22Å; D34-V36 WeakPolarHBondContact CB-O 3.45Å; D34-V36 PolarHBondContact O-N 3.47Å; D34-V45 PolarHBondContact N-O 2.93Å; D34-L46 CarbonylContact O-C 3.53Å; D34-L46 WeakPolarHBondContact O-CA 3.34Å; D34-V47 PolarHBondContact O-N 3.3Å
35I98.1Very high98.2Very high94 Ų9448.8 Ų48.848%0.48228%0.275SS..SBendtrans-75.9-13.9173.555.4165.3000112.5V47 L49I35-V47 HydrophobicContact CG2-CB 4.03Å; I35-V47 HydrophobicContact CG2-CG1 4.44Å; I35-L49 HydrophobicContact CG2-CD1 4.41Å; I35-L49 HydrophobicContact CG2-CD2 3.71Å; I35-L49 HydrophobicContact CG2-CG 3.92Å
36V97.8Very high98.3Very high84 Ų8448.8 Ų48.851%0.50927%0.267SS..SBendtrans-127.5144176.6-179.20000109.6R12 D34R12-V36 HydrophobicContact CG-CB 4.12Å; R12-V36 HydrophobicContact CG-CG1 4.36Å; R12-V36 WeakPolarHBondContact CG-O 3.27Å; D34-V36 WeakPolarHBondContact CB-O 3.45Å; D34-V36 PolarHBondContact O-N 3.47Å
37A98.2Very high98.3Very high47 Ų4744.1 Ų44.139%0.38825%0.248SC..  trans-70.2143.4176.900000111.8R12 N44 L46R12-A37 WeakPolarHBondContact CD-O 3.21Å; A37-N44 HydrophobicContact CB-CB 4.37Å; A37-L46 HydrophobicContact CB-CD2 4.1Å
38S97.9Very high98.4Very high1 Ų148.1 Ų48.11%0.00725%0.25CC..  trans-97.2121.5166.7-174.70000110.4E40 N44S38-E40 PolarHBondContact O-N 2.74Å; S38-N44 PolarHBondContact N-OD1 2.9Å; S38-N44 PolarHBondContact O-ND2 3.07Å; S38-N44 PolarHBondContact O-OD1 3.5Å
39E97Very high98.2Very high201 Ų20153.7 Ų53.794%0.93928%0.28SS*.SBendtrans-70.1-22.2177.1-62.6-178.1174.800112.8
40E97.1Very high98.1Very high83 Ų8352.9 Ų52.939%0.38828%0.281SS..SBendtrans-84.9-23-178.8-63.3172.516500112.8V20 Q21 K24 S38V20-E40 HydrophobicContact CG1-CB 4.08Å; Q21-E40 WeakPolarHBondContact CG-OE2 3.48Å; Q21-E40 VanDerWaalsContact NE2-CD 3.34Å; Q21-E40 PolarHBondContact NE2-OE1 2.7Å; Q21-E40 PolarHBondContact NE2-OE2 3.47Å; Q21-E40 VanDerWaalsContact NE2-OE2 3.1Å; K24-E40 WeakPolarHBondContact CE-O 3.16Å; S38-E40 PolarHBondContact O-N 2.74Å
41A98.2Very high98Very high13 Ų1360.1 Ų60.111%0.10732%0.315CS..SBendtrans-71.6152.8179.400000111V20 A43V20-A41 HydrophobicContact CG1-CB 4.14Å; A41-A43 VanDerWaalsContact C-N 3.28Å; A41-A43 WeakPolarHBondContact CB-O 3.44Å
42N98.6Very high98Very high75 Ų7561.8 Ų61.840%0.40133%0.327SS..SBendtrans-71.2-27.5173.8-66.290.7000112.5K24 W29 V30K24-N42 WeakPolarHBondContact CD-OD1 3.12Å; K24-N42 VanDerWaalsContact NZ-CG 3.35Å; K24-N42 PolarHBondContact NZ-ND2 3.45Å; K24-N42 VanDerWaalsContact NZ-ND2 3.13Å; K24-N42 PolarHBondContact NZ-OD1 2.8Å; K24-N42 VanDerWaalsContact NZ-OD1 3.13Å; W29-N42 WeakPolarHBondContact CA-OD1 3.39Å; W29-N42 VanDerWaalsContact CD1-CB 3.41Å; W29-N42 HydrophobicContact CD2-CB 4.37Å; W29-N42 HydrophobicContact CG-CB 4.05Å; W29-N42 VanDerWaalsContact NE1-CB 3.34Å; V30-N42 PolarHBondContact N-OD1 2.7Å; V30-N42 WeakPolarHBondContact O-CB 3.38Å; V30-N42 PolarHBondContact O-N 2.9Å
43A98.5Very high98Very high17 Ų1765 Ų6514%0.1434%0.341CS..EExtended strand (participates in β ladder)trans-151.2160.7178.800000110.6W29 V30 A31 S32 A41 L67W29-A43 HydrophobicContact CH2-CB 4.31Å; W29-A43 HydrophobicContact CZ2-CB 3.71Å; V30-A43 PolarHBondContact O-N 2.92Å; A31-A43 WeakPolarHBondContact CA-O 3.2Å; A31-A43 HydrophobicContact CB-CB 4.28Å; S32-A43 PolarHBondContact N-O 3.2Å; A41-A43 VanDerWaalsContact C-N 3.28Å; A41-A43 WeakPolarHBondContact CB-O 3.44Å; A43-L67 HydrophobicContact CB-CD1 3.72Å; A43-L67 HydrophobicContact CB-CD2 3.92Å; A43-L67 HydrophobicContact CB-CG 4.43Å
44N98.8Very high97.9Very high57 Ų5769.9 Ų69.931%0.30537%0.371SS..EExtended strand (participates in β ladder)trans-132.5140.5178.5-72.2-79.7000110.6S32 A37 S38S32-N44 WeakPolarHBondContact CB-OD1 3.25Å; S32-N44 CarbonylContact O-C 3.49Å; S32-N44 VanDerWaalsContact O-CA 3.31Å; S32-N44 WeakPolarHBondContact O-CA 3.48Å; A37-N44 HydrophobicContact CB-CB 4.37Å; S38-N44 PolarHBondContact N-OD1 2.9Å; S38-N44 PolarHBondContact O-ND2 3.07Å; S38-N44 PolarHBondContact O-OD1 3.5Å
45V98.8Very high97.9Very high6 Ų674.8 Ų74.84%0.03639%0.393CS..EExtended strand (participates in β ladder)trans-114.2118.8162.2174.30000107S32 I33 D34 D63 V64 L67S32-V45 PolarHBondContact O-N 3.43Å; I33-V45 WeakPolarHBondContact CA-O 3.28Å; I33-V45 HydrophobicContact CG1-CB 4.18Å; I33-V45 HydrophobicContact CG2-CB 4.25Å; I33-V45 HydrophobicContact CG2-CG1 4.27Å; D34-V45 PolarHBondContact N-O 2.93Å; V45-D63 HydrophobicContact CG1-CB 3.7Å; V45-D63 HydrophobicContact CG2-CB 4.48Å; V45-V64 HydrophobicContact CB-CG2 4.5Å; V45-V64 HydrophobicContact CG1-CG2 4.36Å; V45-V64 HydrophobicContact CG2-CG2 3.95Å; V45-L67 HydrophobicContact CG2-CD2 3.87Å
46L98.8Very high98Very high90 Ų9070.8 Ų70.847%0.47137%0.372SS..EExtended strand (participates in β ladder)trans-88.4116.8-179.6-67.5-179.2000110D34 A37 K48 Q59D34-L46 CarbonylContact O-C 3.53Å; D34-L46 WeakPolarHBondContact O-CA 3.34Å; A37-L46 HydrophobicContact CB-CD2 4.1Å; L46-K48 PolarHBondContact O-N 3.24Å; L46-Q59 PolarHBondContact O-NE2 3.04Å
47V98.6Very high98Very high13 Ų1367.6 Ų67.68%0.07935%0.354CS..  trans-72.4120.4176.8-177.50000108.9Y9 I33 D34 I35 L49 Q56 V60Y9-V47 HydrophobicContact CE1-CG2 4.1Å; I33-V47 HydrophobicContact CG2-CG2 3.74Å; D34-V47 PolarHBondContact O-N 3.3Å; I35-V47 HydrophobicContact CG2-CB 4.03Å; I35-V47 HydrophobicContact CG2-CG1 4.44Å; V47-L49 PolarHBondContact O-N 3.3Å; V47-Q56 HydrophobicContact CG1-CG 3.7Å; V47-V60 HydrophobicContact CB-CG2 4.36Å; V47-V60 HydrophobicContact CG1-CG2 4.09Å; V47-V60 HydrophobicContact CG2-CG2 3.91Å
48K98Very high98Very high141 Ų14167.3 Ų67.361%0.61336%0.356SS*.  trans-83.9111.4172.1-62.4-179.4-168.7166.60108.4L46 S50 Q59L46-K48 PolarHBondContact O-N 3.24Å; K48-S50 PolarHBondContact O-N 3.47Å; K48-Q59 HydrophobicContact CD-CG 4.15Å; K48-Q59 HydrophobicContact CG-CG 4.37Å
49L95.2Very high98.1Very high137 Ų13768.5 Ų68.572%0.71736%0.362SS*.  trans-59.8126177.5-68.6177.3000110I35 V47I35-L49 HydrophobicContact CG2-CD1 4.41Å; I35-L49 HydrophobicContact CG2-CD2 3.71Å; I35-L49 HydrophobicContact CG2-CG 3.92Å; V47-L49 PolarHBondContact O-N 3.3Å
50S96.1Very high98.2Very high27 Ų2759 Ų5919%0.18932%0.317CS..  trans-134.7154173.5-178.40000109.9K48 S52 E55 W106K48-S50 PolarHBondContact O-N 3.47Å; S50-S52 PolarHBondContact OG-N 3.03Å; S50-E55 PolarHBondContact OG-OE2 2.97Å; S50-W106 WeakPolarHBondContact O-CZ3 3.48Å
51E97Very high98.2Very high152 Ų15256.4 Ų56.471%0.7131%0.307SS*.SBendtrans-78.1-14.4167.5-65.5-59.2122.100111.6K102E51-K102 IonicContact OE1-NZ 2.74Å; E51-K102 PolarHBondContact OE1-NZ 3.43Å; E51-K102 IonicContact OE2-NZ 3.29Å; E51-K102 PolarHBondContact OE2-NZ 3.12Å
52S98.3Very high98.3Very high35 Ų3558.5 Ų58.525%0.24532%0.324CS..  trans-95.2114.6174178.30000110.8S50 T54 E55 Q56S50-S52 PolarHBondContact OG-N 3.03Å; S52-T54 VanDerWaalsContact C-N 3.29Å; S52-T54 PolarHBondContact O-N 2.88Å; S52-T54 PolarHBondContact OG-OG1 3.29Å; S52-E55 PolarHBondContact O-N 2.83Å; S52-E55 WeakPolarHBondContact OG-CG 3.45Å; S52-E55 PolarHBondContact OG-N 2.75Å; S52-Q56 PolarHBondContact O-N 3.45Å
53F98.6Very high98.3Very high67 Ų6757.3 Ų57.329%0.29432%0.318SS..Hα-helixtrans-55.9-44.7175.5170.9-124.2000112E55 Q56 A57 W106 T109 I110F53-E55 VanDerWaalsContact C-N 3.35Å; F53-E55 PolarHBondContact O-N 2.74Å; F53-Q56 PolarHBondContact O-N 2.96Å; F53-A57 HydrophobicContact CD2-CB 4.41Å; F53-A57 HydrophobicContact CE2-CB 4Å; F53-A57 HydrophobicContact CZ-CB 4.16Å; F53-A57 WeakPolarHBondContact O-CB 3.42Å; F53-A57 PolarHBondContact O-N 3.43Å; F53-W106 HydrophobicContact CB-CD2 3.96Å; F53-W106 HydrophobicContact CB-CE3 4.26Å; F53-W106 HydrophobicContact CB-CH2 3.97Å; F53-W106 HydrophobicContact CB-CZ2 3.65Å; F53-W106 HydrophobicContact CB-CZ3 4.26Å; F53-W106 HydrophobicContact CD2-CB 3.71Å; F53-W106 AromaticContact CD2-CD1 3.8Å; F53-W106 AromaticContact CD2-CD2 3.46Å; F53-W106 HydrophobicContact CD2-CD2 3.46Å; F53-W106 VanDerWaalsContact CD2-CD2 3.46Å; F53-W106 AromaticContact CD2-CE2 3.95Å; F53-W106 AromaticContact CD2-CE3 3.87Å; F53-W106 HydrophobicContact CD2-CE3 3.87Å; F53-W106 AromaticContact CD2-CG 3.38Å; F53-W106 HydrophobicContact CD2-CG 3.38Å; F53-W106 HydrophobicContact CE2-CB 3.74Å; F53-W106 HydrophobicContact CE2-CD2 4.39Å; F53-W106 AromaticContact CE2-CG 3.89Å; F53-W106 HydrophobicContact CE2-CG 3.89Å; F53-W106 HydrophobicContact CG-CD2 4.08Å; F53-W106 HydrophobicContact CG-CG 4.21Å; F53-T109 HydrophobicContact CE1-CG2 4.33Å; F53-T109 HydrophobicContact CZ-CG2 3.69Å; F53-I110 HydrophobicContact CE2-CD1 4.19Å; F53-I110 HydrophobicContact CE2-CG1 4.03Å
54T98.6Very high98.3Very high103 Ų10356.5 Ų56.563%0.63231%0.311SS*.Hα-helixtrans-69.2-33.6-174.253.10000112.2S52 G58S52-T54 VanDerWaalsContact C-N 3.29Å; S52-T54 PolarHBondContact O-N 2.88Å; S52-T54 PolarHBondContact OG-OG1 3.29Å; T54-G58 PolarHBondContact O-N 3.43Å
55E98.6Very high98.3Very high127 Ų12755.7 Ų55.759%0.59331%0.312SS*.Hα-helixtrans-66.1-49.1173.7-70.9175.3-176.700111.5S50 S52 F53 A57 G58 Q59S50-E55 PolarHBondContact OG-OE2 2.97Å; S52-E55 PolarHBondContact O-N 2.83Å; S52-E55 WeakPolarHBondContact OG-CG 3.45Å; S52-E55 PolarHBondContact OG-N 2.75Å; F53-E55 VanDerWaalsContact C-N 3.35Å; F53-E55 PolarHBondContact O-N 2.74Å; E55-A57 PolarHBondContact O-N 3.23Å; E55-G58 PolarHBondContact O-N 3.02Å; E55-Q59 WeakPolarHBondContact O-CB 3.21Å; E55-Q59 PolarHBondContact O-N 3.37Å
56Q98.7Very high98.3Very high11 Ų1163.1 Ų63.15%0.05135%0.346CS..Hα-helixtrans-63.3-43.4178.2-173.2177.4-6800111V47 S52 F53 Q59 V60V47-Q56 HydrophobicContact CG1-CG 3.7Å; S52-Q56 PolarHBondContact O-N 3.45Å; F53-Q56 PolarHBondContact O-N 2.96Å; Q56-Q59 PolarHBondContact O-N 2.96Å; Q56-V60 WeakPolarHBondContact O-CG2 3.33Å; Q56-V60 PolarHBondContact O-N 2.85Å
57A98.8Very high98.3Very high16 Ų1661.6 Ų61.613%0.13234%0.339CS..Hα-helixtrans-62.4-44.5177.200000112F53 E55 T61 I110F53-A57 HydrophobicContact CD2-CB 4.41Å; F53-A57 HydrophobicContact CE2-CB 4Å; F53-A57 HydrophobicContact CZ-CB 4.16Å; F53-A57 WeakPolarHBondContact O-CB 3.42Å; F53-A57 PolarHBondContact O-N 3.43Å; E55-A57 PolarHBondContact O-N 3.23Å; A57-T61 VanDerWaalsContact O-CB 3.28Å; A57-T61 WeakPolarHBondContact O-CB 3.33Å; A57-T61 PolarHBondContact O-N 2.9Å; A57-T61 PolarHBondContact O-OG1 2.77Å; A57-I110 HydrophobicContact CB-CD1 3.99Å; A57-I110 HydrophobicContact CB-CG1 3.72Å
58G98.8Very high98.3Very high41 Ų4161.2 Ų61.242%0.42334%0.336SS..Hα-helixtrans-61.5-44.8176.400000112.2T54 E55 T61 A62T54-G58 PolarHBondContact O-N 3.43Å; E55-G58 PolarHBondContact O-N 3.02Å; G58-T61 PolarHBondContact O-N 3.14Å; G58-A62 WeakPolarHBondContact O-CB 3.49Å; G58-A62 PolarHBondContact O-N 3.05Å
59Q98.8Very high98.3Very high27 Ų2756.7 Ų56.713%0.12633%0.329CS..Hα-helixtrans-61.6-52.7177.1175.4-93.6-33.300112.3L46 K48 E55 Q56 T61 A62 D63L46-Q59 PolarHBondContact O-NE2 3.04Å; K48-Q59 HydrophobicContact CD-CG 4.15Å; K48-Q59 HydrophobicContact CG-CG 4.37Å; E55-Q59 WeakPolarHBondContact O-CB 3.21Å; E55-Q59 PolarHBondContact O-N 3.37Å; Q56-Q59 PolarHBondContact O-N 2.96Å; Q59-T61 VanDerWaalsContact C-N 3.28Å; Q59-T61 PolarHBondContact O-N 3.44Å; Q59-A62 PolarHBondContact O-N 3.02Å; Q59-D63 PolarHBondContact NE2-OD2 2.87Å; Q59-D63 WeakPolarHBondContact O-CB 3.31Å; Q59-D63 PolarHBondContact O-N 3.28Å
60V98.9Very high98.3Very high0 Ų058.1 Ų58.10%034%0.337CS..Hα-helixtrans-62.2-39.7-178.71750000110.9Y9 I33 V47 Q56 V64 I110 L114Y9-V60 HydrophobicContact CE2-CG1 3.98Å; I33-V60 HydrophobicContact CG2-CG1 3.9Å; V47-V60 HydrophobicContact CB-CG2 4.36Å; V47-V60 HydrophobicContact CG1-CG2 4.09Å; V47-V60 HydrophobicContact CG2-CG2 3.91Å; Q56-V60 WeakPolarHBondContact O-CG2 3.33Å; Q56-V60 PolarHBondContact O-N 2.85Å; V60-V64 HydrophobicContact CG1-CG2 4.24Å; V60-V64 WeakPolarHBondContact O-CB 3.5Å; V60-V64 VanDerWaalsContact O-CG2 3.24Å; V60-V64 WeakPolarHBondContact O-CG2 3.27Å; V60-V64 PolarHBondContact O-N 3.49Å; V60-I110 HydrophobicContact CB-CG2 4.18Å; V60-I110 HydrophobicContact CG1-CG2 3.81Å; V60-L114 HydrophobicContact CG1-CD1 4.46Å
61T98.8Very high98.3Very high30 Ų3061.2 Ų61.218%0.18435%0.349CS..Hα-helixtrans-64.3-45.6178.6-55.90000111.6A57 G58 Q59 A65 L114A57-T61 VanDerWaalsContact O-CB 3.28Å; A57-T61 WeakPolarHBondContact O-CB 3.33Å; A57-T61 PolarHBondContact O-N 2.9Å; A57-T61 PolarHBondContact O-OG1 2.77Å; G58-T61 PolarHBondContact O-N 3.14Å; Q59-T61 VanDerWaalsContact C-N 3.28Å; Q59-T61 PolarHBondContact O-N 3.44Å; T61-A65 WeakPolarHBondContact O-CB 3.29Å; T61-A65 PolarHBondContact O-N 3.02Å; T61-L114 HydrophobicContact CG2-CD2 4.41Å
62A98.8Very high98.4Very high56 Ų5658.5 Ų58.546%0.46334%0.335SS..Hα-helixtrans-62.9-45.2177.800000112G58 Q59 A65 Q66G58-A62 WeakPolarHBondContact O-CB 3.49Å; G58-A62 PolarHBondContact O-N 3.05Å; Q59-A62 PolarHBondContact O-N 3.02Å; A62-A65 PolarHBondContact O-N 2.88Å; A62-Q66 WeakPolarHBondContact O-CB 3.37Å; A62-Q66 PolarHBondContact O-N 3.01Å
63D98.9Very high98.4Very high51 Ų5156.8 Ų56.827%0.27332%0.323SS..Hα-helixtrans-68.5-38.4-178.1-71.28.4000111.8V45 Q59 Q66 L67V45-D63 HydrophobicContact CG1-CB 3.7Å; V45-D63 HydrophobicContact CG2-CB 4.48Å; Q59-D63 PolarHBondContact NE2-OD2 2.87Å; Q59-D63 WeakPolarHBondContact O-CB 3.31Å; Q59-D63 PolarHBondContact O-N 3.28Å; D63-Q66 PolarHBondContact O-N 2.85Å; D63-L67 WeakPolarHBondContact O-CB 3.21Å; D63-L67 PolarHBondContact O-N 2.91Å
64V98.9Very high98.4Very high0 Ų055.1 Ų55.10%032%0.317CS..Hα-helixtrans-66.1-42.4173.5171.50000111L7 I33 V45 V60 Q66 L67 L68 L114L7-V64 HydrophobicContact CD1-CG1 3.89Å; I33-V64 HydrophobicContact CD1-CG2 3.73Å; I33-V64 HydrophobicContact CG1-CG2 4.4Å; V45-V64 HydrophobicContact CB-CG2 4.5Å; V45-V64 HydrophobicContact CG1-CG2 4.36Å; V45-V64 HydrophobicContact CG2-CG2 3.95Å; V60-V64 HydrophobicContact CG1-CG2 4.24Å; V60-V64 WeakPolarHBondContact O-CB 3.5Å; V60-V64 VanDerWaalsContact O-CG2 3.24Å; V60-V64 WeakPolarHBondContact O-CG2 3.27Å; V60-V64 PolarHBondContact O-N 3.49Å; V64-Q66 VanDerWaalsContact C-N 3.35Å; V64-Q66 PolarHBondContact O-N 2.97Å; V64-L67 PolarHBondContact O-N 2.62Å; V64-L68 HydrophobicContact CG1-CD1 3.8Å; V64-L68 HydrophobicContact CG1-CG 4.28Å; V64-L68 WeakPolarHBondContact O-CG 3.17Å; V64-L68 PolarHBondContact O-N 2.89Å; V64-L114 HydrophobicContact CB-CD2 3.86Å; V64-L114 HydrophobicContact CG1-CD1 4.44Å; V64-L114 HydrophobicContact CG1-CD2 3.78Å; V64-L114 HydrophobicContact CG2-CD1 4.06Å; V64-L114 HydrophobicContact CG2-CD2 4.23Å
65A98.7Very high98.4Very high39 Ų3950.2 Ų50.232%0.32229%0.287SS..Hα-helixtrans-62-43176.900000111.6T61 A62 L67 L68 G69T61-A65 WeakPolarHBondContact O-CB 3.29Å; T61-A65 PolarHBondContact O-N 3.02Å; A62-A65 PolarHBondContact O-N 2.88Å; A65-L67 PolarHBondContact O-N 2.96Å; A65-L68 PolarHBondContact O-N 3.49Å; A65-G69 WeakPolarHBondContact O-CA 3.35Å; A65-G69 PolarHBondContact O-N 2.88Å
66Q98.7Very high98.5Very high162 Ų16244.1 Ų44.176%0.75726%0.259SS*.Hα-helixtrans-62.1-42.4174.4-177.5-179.5-6.700111.9A62 D63 V64A62-Q66 WeakPolarHBondContact O-CB 3.37Å; A62-Q66 PolarHBondContact O-N 3.01Å; D63-Q66 PolarHBondContact O-N 2.85Å; V64-Q66 VanDerWaalsContact C-N 3.35Å; V64-Q66 PolarHBondContact O-N 2.97Å
67L98.6Very high98.5Very high59 Ų5943.6 Ų43.631%0.30926%0.256SS..Hα-helixtrans-64.6-41.4-179.6175.363.3000112.4W29 A31 A43 V45 D63 V64 A65W29-L67 HydrophobicContact CH2-CD2 4.02Å; W29-L67 HydrophobicContact CH2-CG 4.16Å; W29-L67 HydrophobicContact CZ2-CD1 4.36Å; W29-L67 HydrophobicContact CZ2-CG 4.49Å; A31-L67 HydrophobicContact CB-CD2 3.9Å; A43-L67 HydrophobicContact CB-CD1 3.72Å; A43-L67 HydrophobicContact CB-CD2 3.92Å; A43-L67 HydrophobicContact CB-CG 4.43Å; V45-L67 HydrophobicContact CG2-CD2 3.87Å; D63-L67 WeakPolarHBondContact O-CB 3.21Å; D63-L67 PolarHBondContact O-N 2.91Å; V64-L67 PolarHBondContact O-N 2.62Å; A65-L67 PolarHBondContact O-N 2.96Å
68L98.3Very high98.5Very high5 Ų542.9 Ų42.93%0.02625%0.25CC..Hα-helixtrans-86.3-30-175.5-66.7-179.6000113.1L7 W29 V64 A65 D70 Q71 V73 H118L7-L68 HydrophobicContact CD1-CD1 4.32Å; L7-L68 HydrophobicContact CD2-CD2 4.44Å; W29-L68 HydrophobicContact CH2-CD2 3.96Å; W29-L68 HydrophobicContact CZ3-CD2 3.96Å; V64-L68 HydrophobicContact CG1-CD1 3.8Å; V64-L68 HydrophobicContact CG1-CG 4.28Å; V64-L68 WeakPolarHBondContact O-CG 3.17Å; V64-L68 PolarHBondContact O-N 2.89Å; A65-L68 PolarHBondContact O-N 3.49Å; L68-D70 PolarHBondContact O-N 2.78Å; L68-Q71 VanDerWaalsContact O-CB 3.25Å; L68-Q71 WeakPolarHBondContact O-CB 3.31Å; L68-Q71 WeakPolarHBondContact O-CG 3.46Å; L68-Q71 PolarHBondContact O-N 2.97Å; L68-V73 HydrophobicContact CD1-CG1 3.97Å; L68-V73 HydrophobicContact CD2-CG1 3.91Å; L68-H118 HydrophobicContact CD1-CB 3.79Å
69G97.6Very high98.5Very high45 Ų4541.9 Ų41.946%0.46424%0.236SC..THydrogen-bonded Turntrans52.9-127.8-165.600000110.2A65 Q71A65-G69 WeakPolarHBondContact O-CA 3.35Å; A65-G69 PolarHBondContact O-N 2.88Å; G69-Q71 VanDerWaalsContact C-N 3.26Å; G69-Q71 PolarHBondContact O-N 3.48Å
70D95.8Very high98.4Very high167 Ų16741.3 Ų41.389%0.89324%0.235SC*.THydrogen-bonded Turntrans-80.5-3.5178.9-59.1-38.8000114L68L68-D70 PolarHBondContact O-N 2.78Å
71Q97.4Very high98.1Very high92 Ų9243.3 Ų43.343%0.4326%0.256SS..  trans-75.7137.8-176.2-59.7177-15.400111.1L68 G69L68-Q71 VanDerWaalsContact O-CB 3.25Å; L68-Q71 WeakPolarHBondContact O-CB 3.31Å; L68-Q71 WeakPolarHBondContact O-CG 3.46Å; L68-Q71 PolarHBondContact O-N 2.97Å; G69-Q71 VanDerWaalsContact C-N 3.26Å; G69-Q71 PolarHBondContact O-N 3.48Å
72K98.1Very high97.9Very high95 Ų9543.3 Ų43.341%0.41326%0.262SS..  trans-99.5157.7173.5-59.4-71-178.9165.30110.9V117 H118 K120K72-V117 PolarHBondContact NZ-O 3.24Å; K72-H118 CarbonylContact C-O 3.2Å; K72-H118 WeakPolarHBondContact CA-O 3.46Å; K72-H118 WeakPolarHBondContact CB-O 3.43Å; K72-H118 VanDerWaalsContact CD-O 3.27Å; K72-H118 WeakPolarHBondContact CD-O 3.42Å; K72-K120 HydrophobicContact CB-CG 3.47Å; K72-K120 VanDerWaalsContact CB-CG 3.47Å
73V98.8Very high97.7Very high0 Ų048.6 Ų48.60%027%0.27CS..EExtended strand (participates in β ladder)trans-108.9149.9178.1-58.90000111.9R5 L7 L68 I76 H118 L119 K120R5-V73 HydrophobicContact CB-CB 4.18Å; R5-V73 HydrophobicContact CB-CG1 3.9Å; L7-V73 HydrophobicContact CD1-CG2 4.4Å; L7-V73 HydrophobicContact CD2-CG1 4.16Å; L7-V73 HydrophobicContact CG-CG1 4.03Å; L7-V73 HydrophobicContact CG-CG2 4.26Å; L68-V73 HydrophobicContact CD1-CG1 3.97Å; L68-V73 HydrophobicContact CD2-CG1 3.91Å; V73-I76 HydrophobicContact CG2-CD1 4.11Å; V73-I76 HydrophobicContact CG2-CG1 3.67Å; V73-H118 PolarHBondContact N-O 2.87Å; V73-L119 HydrophobicContact CG2-CD1 4.14Å; V73-K120 WeakPolarHBondContact O-CG 3.45Å; V73-K120 PolarHBondContact O-N 3.26Å
74D98.8Very high97.7Very high31 Ų3146.7 Ų46.717%0.16626%0.262CS..EExtended strand (participates in β ladder)trans-80.3-31.1178.7-59-85.4000111.2S4 R5 W28 K120 G123 L124S4-D74 VanDerWaalsContact CA-OD2 3.24Å; S4-D74 WeakPolarHBondContact CA-OD2 3.49Å; R5-D74 PolarHBondContact N-OD2 3.49Å; R5-D74 PolarHBondContact O-N 2.95Å; W28-D74 HydrophobicContact CH2-CB 3.67Å; W28-D74 HydrophobicContact CZ3-CB 3.58Å; D74-K120 WeakPolarHBondContact OD1-CD 3.34Å; D74-K120 IonicContact OD1-NZ 2.83Å; D74-K120 PolarHBondContact OD1-NZ 3.5Å; D74-K120 IonicContact OD2-NZ 2.7Å; D74-K120 PolarHBondContact OD2-NZ 3.49Å; D74-G123 WeakPolarHBondContact O-CA 3.44Å; D74-L124 PolarHBondContact O-N 3.22Å
75A98.9Very high97.5Very high0 Ų047.6 Ų47.60%027%0.271CS..EExtended strand (participates in β ladder)trans-145.7149.2177.200000113.5R5 V6 L7 L77 L124 A209R5-A75 PolarHBondContact O-N 2.9Å; V6-A75 VanDerWaalsContact CA-O 3.31Å; V6-A75 WeakPolarHBondContact CA-O 3.4Å; V6-A75 HydrophobicContact CB-CB 4.42Å; V6-A75 HydrophobicContact CG2-CB 3.95Å; L7-A75 PolarHBondContact N-O 2.89Å; A75-L77 HydrophobicContact CB-CD2 4.21Å; A75-L77 HydrophobicContact CB-CG 4.45Å; A75-L124 CarbonylContact C-O 3.51Å; A75-L124 WeakPolarHBondContact CA-O 3.49Å; A75-L124 HydrophobicContact CB-CB 4.2Å; A75-A209 HydrophobicContact CB-CB 4.04Å
76I98.9Very high97.4Very high0 Ų046.4 Ų46.40%026%0.262CS..EExtended strand (participates in β ladder)trans-123.2116.7165.2-60.5179.3000107.3L7 V73 L114 A115 L119 L124 L125 T126L7-I76 HydrophobicContact CB-CG1 4.24Å; L7-I76 HydrophobicContact CB-CG2 4.44Å; L7-I76 HydrophobicContact CD1-CD1 4.15Å; L7-I76 HydrophobicContact CD1-CG1 4.09Å; L7-I76 HydrophobicContact CG-CG1 4.32Å; L7-I76 WeakPolarHBondContact O-CA 3.5Å; V73-I76 HydrophobicContact CG2-CD1 4.11Å; V73-I76 HydrophobicContact CG2-CG1 3.67Å; I76-L114 HydrophobicContact CD1-CB 3.92Å; I76-A115 HydrophobicContact CD1-CB 4.07Å; I76-L119 HydrophobicContact CG1-CD1 4.2Å; I76-L124 PolarHBondContact N-O 3.08Å; I76-L125 HydrophobicContact CB-CD1 4.06Å; I76-L125 HydrophobicContact CG2-CD1 3.96Å; I76-L125 WeakPolarHBondContact O-CA 3.35Å; I76-T126 PolarHBondContact O-N 3.17Å
77L98.9Very high97.4Very high0 Ų042.2 Ų42.20%025%0.245CC..EExtended strand (participates in β ladder)trans-109.596.1-175.6-53.2178.2000109.3V6 L7 Y9 I19 F23 A75 V79 L124 T126 F205V6-L77 HydrophobicContact CG2-CD1 3.7Å; V6-L77 HydrophobicContact CG2-CG 3.79Å; L7-L77 PolarHBondContact O-N 3.33Å; Y9-L77 PolarHBondContact N-O 3.3Å; I19-L77 HydrophobicContact CG2-CD1 3.48Å; I19-L77 VanDerWaalsContact CG2-CD1 3.48Å; F23-L77 HydrophobicContact CD2-CD1 4.44Å; F23-L77 HydrophobicContact CE1-CD1 4.43Å; F23-L77 HydrophobicContact CE2-CD1 3.72Å; F23-L77 HydrophobicContact CZ-CD1 3.7Å; A75-L77 HydrophobicContact CB-CD2 4.21Å; A75-L77 HydrophobicContact CB-CG 4.45Å; L77-V79 PolarHBondContact O-N 3.06Å; L77-L124 HydrophobicContact CD2-CD2 4.31Å; L77-T126 WeakPolarHBondContact CA-OG1 3.4Å; L77-T126 HydrophobicContact CD2-CG2 3.64Å; L77-T126 WeakPolarHBondContact CD2-OG1 3.3Å; L77-F205 HydrophobicContact CD1-CB 4.25Å; L77-F205 HydrophobicContact CD1-CD2 4.12Å; L77-F205 HydrophobicContact CD2-CB 4.32Å; L77-F205 HydrophobicContact CD2-CD2 4.13Å; L77-F205 HydrophobicContact CD2-CG 4.29Å
78C98.9Very high97.4Very high0 Ų044 Ų440%026%0.262CS..EExtended strand (participates in β ladder)trans-86.197.6176.5-174.60000110.4S111 T126 L127 A128C78-S111 WeakPolarHBondContact CB-OG 3.45Å; C78-S111 PolarHBondContact SG-OG 3.18Å; C78-T126 WeakPolarHBondContact CA-O 3.29Å; C78-T126 VanDerWaalsContact CB-O 3.32Å; C78-T126 WeakPolarHBondContact CB-O 3.48Å; C78-T126 PolarHBondContact N-O 3.16Å; C78-L127 HydrophobicContact CB-CD2 4Å; C78-A128 PolarHBondContact O-N 3.32Å
79V98.7Very high97.4Very high21 Ų2148.7 Ų48.713%0.12729%0.294CS..  trans-1145.2177.4-63.60000112.9V8 Y9 L15 I19 L77 F205V8-V79 HydrophobicContact CG1-CG2 4.03Å; Y9-V79 CarbonylContact O-C 3.58Å; Y9-V79 WeakPolarHBondContact O-CG2 3.35Å; Y9-V79 PolarHBondContact O-N 2.9Å; L15-V79 HydrophobicContact CD2-CB 4.05Å; L15-V79 HydrophobicContact CD2-CG1 3.75Å; L15-V79 HydrophobicContact CG-CB 4.35Å; L15-V79 HydrophobicContact CG-CG1 4.22Å; I19-V79 HydrophobicContact CD1-CB 4.45Å; I19-V79 HydrophobicContact CD1-CG1 3.64Å; I19-V79 HydrophobicContact CD1-CG2 4.18Å; L77-V79 PolarHBondContact O-N 3.06Å; V79-F205 HydrophobicContact CG1-CE2 3.72Å; V79-F205 HydrophobicContact CG1-CZ 4.48Å
80A97.4Very high97.4Very high14 Ų1448.3 Ų48.312%0.11628%0.284CS..  trans-59.7142.2169.800000110.8Y9 Q103 T107Y9-A80 HydrophobicContact CD1-CB 3.92Å; Y9-A80 PolarHBondContact O-N 3.47Å; A80-Q103 CarbonylContact C-O 3.4Å; A80-T107 HydrophobicContact CB-CG2 3.72Å
81G93.3Very high97.6Very high42 Ų4250.1 Ų50.143%0.43329%0.285SS..  trans160.4178-175.200000110.9Q103G81-Q103 WeakPolarHBondContact CA-O 3.36Å; G81-Q103 PolarHBondContact N-O 2.92Å
82G92.8Very high97.6Very high30 Ų3049.7 Ų49.731%0.30929%0.285SS..  trans-163.2-167.2174.200000109.4Y143G82-Y143 WeakPolarHBondContact O-CE2 3.36Å
83W96.5Very high97.6Very high168 Ų16846.4 Ų46.464%0.63627%0.272SS*.  trans-139.2134.9176.7-177.192.4000109.8Y143W83-Y143 HydrophobicContact CB-CE2 4.45Å; W83-Y143 AromaticContact CD1-CD2 3.84Å; W83-Y143 AromaticContact CD1-CE2 3.78Å; W83-Y143 AromaticContact CD1-CZ 3.99Å; W83-Y143 HydrophobicContact CG-CD2 4.46Å; W83-Y143 HydrophobicContact CG-CE2 4.48Å
84A96.9Very high97.6Very high11 Ų1155.7 Ų55.79%0.09131%0.308CS..  trans-146.612816900000109.3N96 M100A84-N96 HydrophobicContact CB-CB 3.8Å; A84-M100 HydrophobicContact CB-CE 3.79Å; A84-M100 HydrophobicContact CB-CG 4.29Å; A84-M100 HydrophobicContact CB-SD 4.16Å; A84-M100 PolarHBondContact N-SD 3.34Å
85G95.4Very high97.6Very high19 Ų1960.5 Ų60.520%0.19633%0.328CS..  trans-79.7178.217600000113.4N96G85-N96 PolarHBondContact O-ND2 3.33Å
86G97.5Very high97.6Very high13 Ų1362 Ų6213%0.13434%0.336CS..BIsolated β-bridgetrans140.8118.3177.300000111.7G139 V141G86-G139 CarbonylContact C-O 3.58Å; G86-G139 PolarHBondContact N-O 3.15Å; G86-V141 PolarHBondContact O-N 3.29Å
87N98.3Very high97.6Very high74 Ų7463.2 Ų63.240%0.39634%0.343SS..  trans-81.6175.2166.767.722.3000110.7S89 S90 S138N87-S89 PolarHBondContact O-N 3.47Å; N87-S89 VanDerWaalsContact O-N 3.11Å; N87-S89 PolarHBondContact OD1-N 2.67Å; N87-S89 VanDerWaalsContact OD1-N 3.09Å; N87-S89 PolarHBondContact OD1-OG 3.29Å; N87-S90 VanDerWaalsContact O-CB 3.24Å; N87-S90 WeakPolarHBondContact O-CB 3.45Å; N87-S90 PolarHBondContact O-N 3.04Å; N87-S90 PolarHBondContact OD1-N 2.74Å; N87-S90 VanDerWaalsContact OD1-N 3.14Å; N87-S138 VanDerWaalsContact CA-O 3.25Å; N87-S138 WeakPolarHBondContact CA-O 3.34Å; N87-S138 WeakPolarHBondContact CB-O 3.32Å
88C98.2Very high97.5Very high98 Ų9866.7 Ų66.766%0.66236%0.362SS*.THydrogen-bonded Turntrans-61.9-20.6-177.3-63.50000114.7
89S98.3Very high97.5Very high102 Ų10270 Ų7071%0.71338%0.378SS*.THydrogen-bonded Turntrans-88.9-5.6175.858.10000114.1N87N87-S89 PolarHBondContact O-N 3.47Å; N87-S89 VanDerWaalsContact O-N 3.11Å; N87-S89 PolarHBondContact OD1-N 2.67Å; N87-S89 VanDerWaalsContact OD1-N 3.09Å; N87-S89 PolarHBondContact OD1-OG 3.29Å
90S98.4Very high97.5Very high37 Ų3769 Ų6926%0.25937%0.372SS..  trans-66.7134.8-178.4-178.60000111.4N87 D92 L93N87-S90 VanDerWaalsContact O-CB 3.24Å; N87-S90 WeakPolarHBondContact O-CB 3.45Å; N87-S90 PolarHBondContact O-N 3.04Å; N87-S90 PolarHBondContact OD1-N 2.74Å; N87-S90 VanDerWaalsContact OD1-N 3.14Å; S90-D92 PolarHBondContact O-N 2.7Å; S90-D92 PolarHBondContact OG-N 2.89Å; S90-L93 WeakPolarHBondContact O-CB 3.32Å; S90-L93 PolarHBondContact O-N 2.92Å
91K98.3Very high97.6Very high206 Ų20673 Ų7390%0.89638%0.384SS*.THydrogen-bonded Turntrans-63.2-26172.4-63.5-175.1179.8179.80112.4
92D97.9Very high97.8Very high82 Ų8272.6 Ų72.644%0.43937%0.371SS..THydrogen-bonded Turntrans-91.53.6179.9-66-54.3000113.4S90 Y94 K95 N96S90-D92 PolarHBondContact O-N 2.7Å; S90-D92 PolarHBondContact OG-N 2.89Å; D92-Y94 VanDerWaalsContact C-N 3.33Å; D92-Y94 PolarHBondContact O-N 2.83Å; D92-K95 PolarHBondContact O-N 2.94Å; D92-N96 WeakPolarHBondContact O-CB 3.49Å; D92-N96 PolarHBondContact O-N 2.97Å
93L98.5Very high98.1Very high26 Ų2674.4 Ų74.414%0.13637%0.371CS..Hα-helixtrans-50-51.2-175.1174.666.7000112.3S90 T97 V141S90-L93 WeakPolarHBondContact O-CB 3.32Å; S90-L93 PolarHBondContact O-N 2.92Å; L93-T97 VanDerWaalsContact O-CB 3.25Å; L93-T97 WeakPolarHBondContact O-CB 3.43Å; L93-T97 PolarHBondContact O-N 3.13Å; L93-T97 PolarHBondContact O-OG1 2.92Å; L93-V141 HydrophobicContact CD1-CB 4.08Å; L93-V141 HydrophobicContact CD1-CG1 4.4Å
94Y98.6Very high98.2Very high195 Ų19566.4 Ų66.477%0.76534%0.341SS*.Hα-helixtrans-67.6-46.7-176.1-55.1-42.9000112D92 N96 T97 D98D92-Y94 VanDerWaalsContact C-N 3.33Å; D92-Y94 PolarHBondContact O-N 2.83Å; Y94-N96 PolarHBondContact O-N 3.1Å; Y94-T97 PolarHBondContact O-N 3.34Å; Y94-D98 PolarHBondContact O-N 2.82Å
95K98.5Very high98.3Very high133 Ų13366.9 Ų66.958%0.57834%0.343SS*.Hα-helixtrans-58.8-47.2177.4176.4-175.4171.5-173.30111.7D92 T97 M99D92-K95 PolarHBondContact O-N 2.94Å; K95-T97 VanDerWaalsContact C-N 3.35Å; K95-M99 WeakPolarHBondContact O-CB 3.26Å; K95-M99 PolarHBondContact O-N 3.17Å; K95-M99 VanDerWaalsContact O-N 3.08Å
96N98.6Very high98.5Very high31 Ų3167.3 Ų67.317%0.16634%0.338CS..Hα-helixtrans-69.9-35.9-179.1-69-7.4000110.9A84 G85 D92 Y94 M99 M100A84-N96 HydrophobicContact CB-CB 3.8Å; G85-N96 PolarHBondContact O-ND2 3.33Å; D92-N96 WeakPolarHBondContact O-CB 3.49Å; D92-N96 PolarHBondContact O-N 2.97Å; Y94-N96 PolarHBondContact O-N 3.1Å; N96-M99 PolarHBondContact O-N 3.31Å; N96-M100 WeakPolarHBondContact O-CB 3.42Å; N96-M100 WeakPolarHBondContact O-CG 3.27Å; N96-M100 PolarHBondContact O-N 3.46Å
97T98.8Very high98.5Very high26 Ų2667.1 Ų67.116%0.1633%0.334CS..Hα-helixtrans-63.6-49.7174.6-58.90000111.4L93 Y94 K95 M99 M100 W101 G142L93-T97 VanDerWaalsContact O-CB 3.25Å; L93-T97 WeakPolarHBondContact O-CB 3.43Å; L93-T97 PolarHBondContact O-N 3.13Å; L93-T97 PolarHBondContact O-OG1 2.92Å; Y94-T97 PolarHBondContact O-N 3.34Å; K95-T97 VanDerWaalsContact C-N 3.35Å; T97-M99 VanDerWaalsContact C-N 3.32Å; T97-M99 PolarHBondContact O-N 2.97Å; T97-M100 PolarHBondContact O-N 3.15Å; T97-M100 VanDerWaalsContact O-N 3.16Å; T97-W101 PolarHBondContact O-N 2.8Å; T97-G142 WeakPolarHBondContact OG1-CA 3.49Å
98D98.6Very high98.6Very high73 Ų7363.6 Ų63.639%0.3932%0.316SS..Hα-helixtrans-55.3-47.4176.4176.567.9000111.8Y94 M100 W101 K102Y94-D98 PolarHBondContact O-N 2.82Å; D98-M100 PolarHBondContact O-N 2.97Å; D98-W101 PolarHBondContact O-N 2.94Å; D98-K102 WeakPolarHBondContact O-CG 3.17Å; D98-K102 PolarHBondContact O-N 3.39Å; D98-K102 VanDerWaalsContact OD1-CE 3.29Å; D98-K102 WeakPolarHBondContact OD1-CE 3.33Å; D98-K102 IonicContact OD1-NZ 3.39Å; D98-K102 PolarHBondContact OD1-NZ 2.82Å; D98-K102 VanDerWaalsContact OD2-CE 3.3Å; D98-K102 WeakPolarHBondContact OD2-CE 3.04Å; D98-K102 IonicContact OD2-NZ 3.66Å; D98-K102 PolarHBondContact OD2-NZ 2.86Å
99M98.4Very high98.6Very high69 Ų6961.5 Ų61.534%0.3430%0.3SS..Hα-helixtrans-58.8-45.5176.5-174.9-174.1-63.200112.5K95 N96 T97 W101 K102 Q103K95-M99 WeakPolarHBondContact O-CB 3.26Å; K95-M99 PolarHBondContact O-N 3.17Å; K95-M99 VanDerWaalsContact O-N 3.08Å; N96-M99 PolarHBondContact O-N 3.31Å; T97-M99 VanDerWaalsContact C-N 3.32Å; T97-M99 PolarHBondContact O-N 2.97Å; M99-W101 VanDerWaalsContact C-N 3.34Å; M99-W101 PolarHBondContact O-N 3.07Å; M99-K102 PolarHBondContact O-N 3.04Å; M99-Q103 HydrophobicContact CG-CG 4.43Å; M99-Q103 WeakPolarHBondContact O-CB 3.42Å; M99-Q103 VanDerWaalsContact O-CG 3.3Å; M99-Q103 WeakPolarHBondContact O-CG 3.41Å; M99-Q103 PolarHBondContact O-N 3.16Å
100M98.6Very high98.6Very high1 Ų156.8 Ų56.81%0.00527%0.267CS..Hα-helixtrans-66.7-35.9-179.8-68.5-57.493.600112.4A84 N96 T97 D98 S104 Y143 A146A84-M100 HydrophobicContact CB-CE 3.79Å; A84-M100 HydrophobicContact CB-CG 4.29Å; A84-M100 HydrophobicContact CB-SD 4.16Å; A84-M100 PolarHBondContact N-SD 3.34Å; N96-M100 WeakPolarHBondContact O-CB 3.42Å; N96-M100 WeakPolarHBondContact O-CG 3.27Å; N96-M100 PolarHBondContact O-N 3.46Å; T97-M100 PolarHBondContact O-N 3.15Å; T97-M100 VanDerWaalsContact O-N 3.16Å; D98-M100 PolarHBondContact O-N 2.97Å; M100-S104 WeakPolarHBondContact O-CB 3.46Å; M100-S104 PolarHBondContact O-N 3.2Å; M100-S104 PolarHBondContact O-OG 3.49Å; M100-Y143 HydrophobicContact SD-CD2 3.82Å; M100-A146 HydrophobicContact CB-CB 3.95Å
101W98.8Very high98.7Very high97 Ų9755 Ų5537%0.36725%0.254SS..Iπ-helixtrans-65-49.3173.7-86.769.6000111.8T97 D98 M99 Q103 V105 W106 M145T97-W101 PolarHBondContact O-N 2.8Å; D98-W101 PolarHBondContact O-N 2.94Å; M99-W101 VanDerWaalsContact C-N 3.34Å; M99-W101 PolarHBondContact O-N 3.07Å; W101-Q103 VanDerWaalsContact C-N 3.32Å; W101-Q103 PolarHBondContact O-N 2.78Å; W101-V105 HydrophobicContact CD2-CG2 4.05Å; W101-V105 HydrophobicContact CE3-CB 4.06Å; W101-V105 HydrophobicContact CE3-CG1 4.01Å; W101-V105 HydrophobicContact CE3-CG2 3.99Å; W101-V105 HydrophobicContact CG-CG2 4.34Å; W101-V105 HydrophobicContact CZ3-CG1 4.14Å; W101-V105 WeakPolarHBondContact O-CA 3.36Å; W101-V105 WeakPolarHBondContact O-CB 3.36Å; W101-V105 PolarHBondContact O-N 2.86Å; W101-W106 PolarHBondContact O-N 3.25Å; W101-M145 HydrophobicContact CZ2-CE 4.44Å
102K98.7Very high98.7Very high34 Ų3445.7 Ų45.715%0.14822%0.215CC..Iπ-helixtrans-59.9-40.9176.9-73.6173.8176.8163.30112.4E51 D98 M99 W106E51-K102 IonicContact OE1-NZ 2.74Å; E51-K102 PolarHBondContact OE1-NZ 3.43Å; E51-K102 IonicContact OE2-NZ 3.29Å; E51-K102 PolarHBondContact OE2-NZ 3.12Å; D98-K102 WeakPolarHBondContact O-CG 3.17Å; D98-K102 PolarHBondContact O-N 3.39Å; D98-K102 VanDerWaalsContact OD1-CE 3.29Å; D98-K102 WeakPolarHBondContact OD1-CE 3.33Å; D98-K102 IonicContact OD1-NZ 3.39Å; D98-K102 PolarHBondContact OD1-NZ 2.82Å; D98-K102 VanDerWaalsContact OD2-CE 3.3Å; D98-K102 WeakPolarHBondContact OD2-CE 3.04Å; D98-K102 IonicContact OD2-NZ 3.66Å; D98-K102 PolarHBondContact OD2-NZ 2.86Å; M99-K102 PolarHBondContact O-N 3.04Å; K102-W106 HydrophobicContact CB-CD2 4.29Å; K102-W106 HydrophobicContact CB-CE3 4.4Å; K102-W106 HydrophobicContact CD-CH2 4.24Å; K102-W106 HydrophobicContact CD-CZ2 4.46Å; K102-W106 HydrophobicContact CD-CZ3 4.46Å; K102-W106 HydrophobicContact CG-CD2 3.89Å; K102-W106 HydrophobicContact CG-CE3 3.98Å; K102-W106 HydrophobicContact CG-CH2 3.84Å; K102-W106 HydrophobicContact CG-CZ2 3.72Å; K102-W106 HydrophobicContact CG-CZ3 3.96Å; K102-W106 WeakPolarHBondContact O-CB 3.36Å
103Q98.4Very high98.7Very high67 Ų6746.3 Ų46.331%0.31322%0.215SC..Iπ-helixtrans-81.4-27.3-175.8-70.4178.3-400114.4A80 G81 M99 W101 T107A80-Q103 CarbonylContact C-O 3.4Å; G81-Q103 WeakPolarHBondContact CA-O 3.36Å; G81-Q103 PolarHBondContact N-O 2.92Å; M99-Q103 HydrophobicContact CG-CG 4.43Å; M99-Q103 WeakPolarHBondContact O-CB 3.42Å; M99-Q103 VanDerWaalsContact O-CG 3.3Å; M99-Q103 WeakPolarHBondContact O-CG 3.41Å; M99-Q103 PolarHBondContact O-N 3.16Å; W101-Q103 VanDerWaalsContact C-N 3.32Å; W101-Q103 PolarHBondContact O-N 2.78Å; Q103-T107 PolarHBondContact O-OG1 2.97Å
104S98.8Very high98.8Very high0 Ų045.1 Ų45.10%021%0.209CC..Iπ-helixtrans-113.8-48.8-176.3-580000113.7M100 T107 S108 K147M100-S104 WeakPolarHBondContact O-CB 3.46Å; M100-S104 PolarHBondContact O-N 3.2Å; M100-S104 PolarHBondContact O-OG 3.49Å; S104-T107 PolarHBondContact O-OG1 2.9Å; S104-S108 WeakPolarHBondContact O-CB 3.15Å; S104-S108 PolarHBondContact O-N 2.88Å; S104-S108 PolarHBondContact O-OG 3.06Å; S104-K147 WeakPolarHBondContact OG-CE 3.43Å; S104-K147 PolarHBondContact OG-NZ 3.48Å
105V98.9Very high98.8Very high22 Ų2235.8 Ų35.813%0.13317%0.172CC..Iπ-helixtrans-74.6-50.7-175.7-178.50000109.6W101 T107 S108 T109 A146 A149W101-V105 HydrophobicContact CD2-CG2 4.05Å; W101-V105 HydrophobicContact CE3-CB 4.06Å; W101-V105 HydrophobicContact CE3-CG1 4.01Å; W101-V105 HydrophobicContact CE3-CG2 3.99Å; W101-V105 HydrophobicContact CG-CG2 4.34Å; W101-V105 HydrophobicContact CZ3-CG1 4.14Å; W101-V105 WeakPolarHBondContact O-CA 3.36Å; W101-V105 WeakPolarHBondContact O-CB 3.36Å; W101-V105 PolarHBondContact O-N 2.86Å; V105-T107 PolarHBondContact O-N 2.97Å; V105-S108 PolarHBondContact O-N 3.34Å; V105-T109 WeakPolarHBondContact O-CB 3.48Å; V105-T109 PolarHBondContact O-N 3.08Å; V105-T109 PolarHBondContact O-OG1 3.31Å; V105-A146 HydrophobicContact CG2-CB 4.05Å; V105-A149 HydrophobicContact CG2-CB 4.13Å
106W98.9Very high98.8Very high28 Ų2831.5 Ų31.511%0.10616%0.161CC..Iπ-helixtrans-62.2-45.8-176.9-64.915000111.8S50 F53 W101 K102 S108 T109 I110S50-W106 WeakPolarHBondContact O-CZ3 3.48Å; F53-W106 HydrophobicContact CB-CD2 3.96Å; F53-W106 HydrophobicContact CB-CE3 4.26Å; F53-W106 HydrophobicContact CB-CH2 3.97Å; F53-W106 HydrophobicContact CB-CZ2 3.65Å; F53-W106 HydrophobicContact CB-CZ3 4.26Å; F53-W106 HydrophobicContact CD2-CB 3.71Å; F53-W106 AromaticContact CD2-CD1 3.8Å; F53-W106 AromaticContact CD2-CD2 3.46Å; F53-W106 HydrophobicContact CD2-CD2 3.46Å; F53-W106 VanDerWaalsContact CD2-CD2 3.46Å; F53-W106 AromaticContact CD2-CE2 3.95Å; F53-W106 AromaticContact CD2-CE3 3.87Å; F53-W106 HydrophobicContact CD2-CE3 3.87Å; F53-W106 AromaticContact CD2-CG 3.38Å; F53-W106 HydrophobicContact CD2-CG 3.38Å; F53-W106 HydrophobicContact CE2-CB 3.74Å; F53-W106 HydrophobicContact CE2-CD2 4.39Å; F53-W106 AromaticContact CE2-CG 3.89Å; F53-W106 HydrophobicContact CE2-CG 3.89Å; F53-W106 HydrophobicContact CG-CD2 4.08Å; F53-W106 HydrophobicContact CG-CG 4.21Å; W101-W106 PolarHBondContact O-N 3.25Å; K102-W106 HydrophobicContact CB-CD2 4.29Å; K102-W106 HydrophobicContact CB-CE3 4.4Å; K102-W106 HydrophobicContact CD-CH2 4.24Å; K102-W106 HydrophobicContact CD-CZ2 4.46Å; K102-W106 HydrophobicContact CD-CZ3 4.46Å; K102-W106 HydrophobicContact CG-CD2 3.89Å; K102-W106 HydrophobicContact CG-CE3 3.98Å; K102-W106 HydrophobicContact CG-CH2 3.84Å; K102-W106 HydrophobicContact CG-CZ2 3.72Å; K102-W106 HydrophobicContact CG-CZ3 3.96Å; K102-W106 WeakPolarHBondContact O-CB 3.36Å; W106-S108 PolarHBondContact O-N 3.15Å; W106-T109 PolarHBondContact O-N 2.75Å; W106-I110 WeakPolarHBondContact O-CB 3.48Å; W106-I110 WeakPolarHBondContact O-CD1 3.48Å; W106-I110 VanDerWaalsContact O-CG1 3.22Å; W106-I110 WeakPolarHBondContact O-CG1 3.37Å; W106-I110 PolarHBondContact O-N 2.97Å
107T98.9Very high98.8Very high8 Ų832.8 Ų32.85%0.04917%0.17CC..Hα-helixtrans-64.3-40.1179.855.60000112Y9 A80 Q103 S104 V105 S111Y9-T107 HydrophobicContact CD1-CG2 4.14Å; Y9-T107 HydrophobicContact CE1-CG2 3.63Å; A80-T107 HydrophobicContact CB-CG2 3.72Å; Q103-T107 PolarHBondContact O-OG1 2.97Å; S104-T107 PolarHBondContact O-OG1 2.9Å; V105-T107 PolarHBondContact O-N 2.97Å; T107-S111 VanDerWaalsContact O-CB 3.27Å; T107-S111 WeakPolarHBondContact O-CB 3.49Å; T107-S111 PolarHBondContact O-N 2.69Å; T107-S111 PolarHBondContact O-OG 3.02Å
108S98.9Very high98.8Very high1 Ų132.1 Ų32.11%0.00717%0.166CC..Hα-helixtrans-67.8-42.3175.7-59.50000111.9S104 V105 W106 S111 S112 V150S104-S108 WeakPolarHBondContact O-CB 3.15Å; S104-S108 PolarHBondContact O-N 2.88Å; S104-S108 PolarHBondContact O-OG 3.06Å; V105-S108 PolarHBondContact O-N 3.34Å; W106-S108 PolarHBondContact O-N 3.15Å; S108-S111 PolarHBondContact O-N 3.01Å; S108-S112 WeakPolarHBondContact O-CB 3.24Å; S108-S112 PolarHBondContact O-N 2.67Å; S108-S112 PolarHBondContact O-OG 3Å; S108-V150 WeakPolarHBondContact OG-CG2 3.5Å
109T98.9Very high98.8Very high54 Ų5428.9 Ų28.933%0.33115%0.148SC..Hα-helixtrans-63.6-46.3177.1-57.70000111.4F53 V105 W106 S112 H113F53-T109 HydrophobicContact CE1-CG2 4.33Å; F53-T109 HydrophobicContact CZ-CG2 3.69Å; V105-T109 WeakPolarHBondContact O-CB 3.48Å; V105-T109 PolarHBondContact O-N 3.08Å; V105-T109 PolarHBondContact O-OG1 3.31Å; W106-T109 PolarHBondContact O-N 2.75Å; T109-S112 WeakPolarHBondContact O-CB 3.36Å; T109-S112 PolarHBondContact O-N 2.9Å; T109-H113 PolarHBondContact O-N 2.75Å
110I98.9Very high98.8Very high3 Ų328.8 Ų28.82%0.01515%0.146CC..Hα-helixtrans-61.9-47.1176.4-65162.6000110.1Y9 F53 A57 V60 W106 S112 H113 L114Y9-I110 HydrophobicContact CE2-CB 4.12Å; Y9-I110 HydrophobicContact CE2-CG2 3.8Å; F53-I110 HydrophobicContact CE2-CD1 4.19Å; F53-I110 HydrophobicContact CE2-CG1 4.03Å; A57-I110 HydrophobicContact CB-CD1 3.99Å; A57-I110 HydrophobicContact CB-CG1 3.72Å; V60-I110 HydrophobicContact CB-CG2 4.18Å; V60-I110 HydrophobicContact CG1-CG2 3.81Å; W106-I110 WeakPolarHBondContact O-CB 3.48Å; W106-I110 WeakPolarHBondContact O-CD1 3.48Å; W106-I110 VanDerWaalsContact O-CG1 3.22Å; W106-I110 WeakPolarHBondContact O-CG1 3.37Å; W106-I110 PolarHBondContact O-N 2.97Å; I110-S112 PolarHBondContact O-N 2.87Å; I110-H113 PolarHBondContact O-N 2.78Å; I110-H113 VanDerWaalsContact O-N 3.15Å; I110-L114 HydrophobicContact CG2-CD1 4.06Å; I110-L114 HydrophobicContact CG2-CG 4.22Å; I110-L114 WeakPolarHBondContact O-CG 3.47Å; I110-L114 PolarHBondContact O-N 3Å
111S98.9Very high98.8Very high0 Ų036 Ų360%018%0.179CC..Hα-helixtrans-60.6-35179.1-60.90000112.7Y9 C78 T107 S108 L114 A115Y9-S111 WeakPolarHBondContact CD2-OG 3.18Å; C78-S111 WeakPolarHBondContact CB-OG 3.45Å; C78-S111 PolarHBondContact SG-OG 3.18Å; T107-S111 VanDerWaalsContact O-CB 3.27Å; T107-S111 WeakPolarHBondContact O-CB 3.49Å; T107-S111 PolarHBondContact O-N 2.69Å; T107-S111 PolarHBondContact O-OG 3.02Å; S108-S111 PolarHBondContact O-N 3.01Å; S111-L114 PolarHBondContact O-N 2.64Å; S111-A115 WeakPolarHBondContact O-CB 3.48Å; S111-A115 PolarHBondContact O-N 3.19Å
112S98.9Very high98.7Very high10 Ų1032.9 Ų32.97%0.0718%0.177CC..Hα-helixtrans-68-42.4176-56.70000111.8S108 T109 I110 A115 A116 L157S108-S112 WeakPolarHBondContact O-CB 3.24Å; S108-S112 PolarHBondContact O-N 2.67Å; S108-S112 PolarHBondContact O-OG 3Å; T109-S112 WeakPolarHBondContact O-CB 3.36Å; T109-S112 PolarHBondContact O-N 2.9Å; I110-S112 PolarHBondContact O-N 2.87Å; S112-A115 WeakPolarHBondContact O-CB 3.49Å; S112-A115 PolarHBondContact O-N 3.49Å; S112-A116 PolarHBondContact O-N 2.81Å; S112-A116 VanDerWaalsContact O-N 3.1Å; S112-L157 WeakPolarHBondContact OG-CD1 3.49Å
113H98.9Very high98.7Very high95 Ų9531.4 Ų31.444%0.4417%0.172SC..Hα-helixtrans-64-45.1173.5-177.965.9000111.8T109 I110 A115 A116 V117T109-H113 PolarHBondContact O-N 2.75Å; I110-H113 PolarHBondContact O-N 2.78Å; I110-H113 VanDerWaalsContact O-N 3.15Å; H113-A115 PolarHBondContact O-N 2.76Å; H113-A116 PolarHBondContact O-N 3.02Å; H113-V117 WeakPolarHBondContact O-CG2 3.4Å; H113-V117 PolarHBondContact O-N 2.96Å; H113-V117 VanDerWaalsContact O-N 3.12Å
114L98.9Very high98.7Very high0 Ų028.2 Ų28.20%016%0.157CC..Hα-helixtrans-58.8-34.5174-67.8177.4000111.8I33 V60 T61 V64 I76 I110 S111 V117 H118I33-L114 HydrophobicContact CD1-CD1 4.02Å; V60-L114 HydrophobicContact CG1-CD1 4.46Å; T61-L114 HydrophobicContact CG2-CD2 4.41Å; V64-L114 HydrophobicContact CB-CD2 3.86Å; V64-L114 HydrophobicContact CG1-CD1 4.44Å; V64-L114 HydrophobicContact CG1-CD2 3.78Å; V64-L114 HydrophobicContact CG2-CD1 4.06Å; V64-L114 HydrophobicContact CG2-CD2 4.23Å; I76-L114 HydrophobicContact CD1-CB 3.92Å; I110-L114 HydrophobicContact CG2-CD1 4.06Å; I110-L114 HydrophobicContact CG2-CG 4.22Å; I110-L114 WeakPolarHBondContact O-CG 3.47Å; I110-L114 PolarHBondContact O-N 3Å; S111-L114 PolarHBondContact O-N 2.64Å; L114-V117 PolarHBondContact O-N 3.34Å; L114-H118 WeakPolarHBondContact O-CA 3.45Å; L114-H118 WeakPolarHBondContact O-CB 3.32Å; L114-H118 PolarHBondContact O-N 3.03Å
115A98.9Very high98.7Very high0 Ų028.2 Ų28.20%016%0.157CC..Hα-helixtrans-66.3-46.3176.100000112I76 S111 S112 H113 V117 L119 L125 M164I76-A115 HydrophobicContact CD1-CB 4.07Å; S111-A115 WeakPolarHBondContact O-CB 3.48Å; S111-A115 PolarHBondContact O-N 3.19Å; S112-A115 WeakPolarHBondContact O-CB 3.49Å; S112-A115 PolarHBondContact O-N 3.49Å; H113-A115 PolarHBondContact O-N 2.76Å; A115-V117 PolarHBondContact O-N 2.87Å; A115-L119 HydrophobicContact CB-CB 4.27Å; A115-L119 HydrophobicContact CB-CD2 4.12Å; A115-L119 WeakPolarHBondContact O-CB 3.44Å; A115-L119 PolarHBondContact O-N 3.35Å; A115-L119 VanDerWaalsContact O-N 3.07Å; A115-L125 HydrophobicContact CB-CB 4.27Å; A115-L125 HydrophobicContact CB-CD1 4.42Å; A115-L125 HydrophobicContact CB-CD2 3.85Å; A115-L125 HydrophobicContact CB-CG 4.41Å; A115-M164 HydrophobicContact CB-CE 4.25Å; A115-M164 HydrophobicContact CB-SD 3.91Å
116A98.7Very high98.7Very high42 Ų4227.1 Ų27.135%0.34715%0.151SC..Hα-helixtrans-57-36.3175.100000112.4S112 H113 G163S112-A116 PolarHBondContact O-N 2.81Å; S112-A116 VanDerWaalsContact O-N 3.1Å; H113-A116 PolarHBondContact O-N 3.02Å; A116-G163 WeakPolarHBondContact CB-O 3.39Å
117V98.5Very high98.7Very high59 Ų5925.9 Ų25.936%0.35815%0.146SC..Hα-helixtrans-90.9-36.4-175.1-177.30000113.6K72 H113 L114 A115K72-V117 PolarHBondContact NZ-O 3.24Å; H113-V117 WeakPolarHBondContact O-CG2 3.4Å; H113-V117 PolarHBondContact O-N 2.96Å; H113-V117 VanDerWaalsContact O-N 3.12Å; L114-V117 PolarHBondContact O-N 3.34Å; A115-V117 PolarHBondContact O-N 2.87Å
118H98.7Very high98.7Very high12 Ų1226.1 Ų26.16%0.05615%0.149CC..Hα-helixtrans-123.2-10.6-166.7-60.3-72.3000115.1L68 K72 V73 L114L68-H118 HydrophobicContact CD1-CB 3.79Å; K72-H118 CarbonylContact C-O 3.2Å; K72-H118 WeakPolarHBondContact CA-O 3.46Å; K72-H118 WeakPolarHBondContact CB-O 3.43Å; K72-H118 VanDerWaalsContact CD-O 3.27Å; K72-H118 WeakPolarHBondContact CD-O 3.42Å; V73-H118 PolarHBondContact N-O 2.87Å; L114-H118 WeakPolarHBondContact O-CA 3.45Å; L114-H118 WeakPolarHBondContact O-CB 3.32Å; L114-H118 PolarHBondContact O-N 3.03Å
119L98.7Very high98.7Very high5 Ų526.2 Ų26.23%0.02615%0.15CC..EExtended strand (participates in β ladder)trans-74.9143.3178.9-164.467.1000110.5V73 I76 A115 L125 M164 P165 A168V73-L119 HydrophobicContact CG2-CD1 4.14Å; I76-L119 HydrophobicContact CG1-CD1 4.2Å; A115-L119 HydrophobicContact CB-CB 4.27Å; A115-L119 HydrophobicContact CB-CD2 4.12Å; A115-L119 WeakPolarHBondContact O-CB 3.44Å; A115-L119 PolarHBondContact O-N 3.35Å; A115-L119 VanDerWaalsContact O-N 3.07Å; L119-L125 HydrophobicContact CD2-CB 4.48Å; L119-M164 HydrophobicContact CD2-CE 4.02Å; L119-P165 HydrophobicContact CB-CG 4.19Å; L119-A168 HydrophobicContact CD2-CB 3.91Å
120K98.5Very high98.7Very high67 Ų6723.7 Ų23.729%0.29114%0.135SC..EExtended strand (participates in β ladder)trans-67156.8171.4-71.4175.7-173.4172.80110.7K72 V73 D74 G122 G123K72-K120 HydrophobicContact CB-CG 3.47Å; K72-K120 VanDerWaalsContact CB-CG 3.47Å; V73-K120 WeakPolarHBondContact O-CG 3.45Å; V73-K120 PolarHBondContact O-N 3.26Å; D74-K120 WeakPolarHBondContact OD1-CD 3.34Å; D74-K120 IonicContact OD1-NZ 2.83Å; D74-K120 PolarHBondContact OD1-NZ 3.5Å; D74-K120 IonicContact OD2-NZ 2.7Å; D74-K120 PolarHBondContact OD2-NZ 3.49Å; K120-G122 PolarHBondContact O-N 3.01Å; K120-G123 PolarHBondContact O-N 2.84Å
121Q98.1Very high98.6Very high151 Ų15127.2 Ų27.271%0.70615%0.15SC*.EExtended strand (participates in β ladder)trans-55.3137.1159.6-66.9-177.31000109.2G123 P166Q121-G123 PolarHBondContact O-N 3.2Å; Q121-P166 CarbonylContact C-O 3.56Å; Q121-P166 VanDerWaalsContact CA-O 3.27Å; Q121-P166 WeakPolarHBondContact CA-O 3.39Å; Q121-P166 WeakPolarHBondContact CB-O 3.33Å; Q121-P166 HydrophobicContact CG-CB 4.34Å; Q121-P166 HydrophobicContact CG-CG 4.46Å
122G98Very high98.5Very high32 Ų3229.6 Ų29.633%0.3317%0.17SC..EExtended strand (participates in β ladder)trans71.36.4-173.600000115.2K120 P166 G167 R214K120-G122 PolarHBondContact O-N 3.01Å; G122-P166 PolarHBondContact N-O 2.97Å; G122-G167 WeakPolarHBondContact CA-O 3.23Å; G122-R214 PolarHBondContact O-NH1 2.96Å
123G98.6Very high98.5Very high3 Ų329.4 Ų29.43%0.03117%0.168CC..EExtended strand (participates in β ladder)trans-75174.5-17900000113.8D74 K120 Q121 A168 V169D74-G123 WeakPolarHBondContact O-CA 3.44Å; K120-G123 PolarHBondContact O-N 2.84Å; Q121-G123 PolarHBondContact O-N 3.2Å; G123-A168 CarbonylContact O-C 3.54Å; G123-A168 VanDerWaalsContact O-CA 3.26Å; G123-A168 WeakPolarHBondContact O-CA 3.47Å; G123-V169 PolarHBondContact O-N 3.06Å
124L98.9Very high98.4Very high0 Ų028.7 Ų28.70%017%0.167CC..EExtended strand (participates in β ladder)trans-116.5130.6-178.2178.468.3000112.2D74 A75 I76 L77 T126 V169 W208 A209D74-L124 PolarHBondContact O-N 3.22Å; A75-L124 CarbonylContact C-O 3.51Å; A75-L124 WeakPolarHBondContact CA-O 3.49Å; A75-L124 HydrophobicContact CB-CB 4.2Å; I76-L124 PolarHBondContact N-O 3.08Å; L77-L124 HydrophobicContact CD2-CD2 4.31Å; L124-T126 HydrophobicContact CD1-CG2 4.12Å; L124-T126 HydrophobicContact CD2-CG2 3.79Å; L124-T126 HydrophobicContact CG-CG2 3.86Å; L124-V169 HydrophobicContact CD1-CB 4.46Å; L124-V169 HydrophobicContact CD1-CG1 4.17Å; L124-W208 HydrophobicContact CD1-CB 4.45Å; L124-W208 HydrophobicContact CD2-CB 3.58Å; L124-A209 HydrophobicContact CD2-CB 4.16Å
125L98.9Very high98.3Very high0 Ų031 Ų310%019%0.191CC..EExtended strand (participates in β ladder)trans-111.9124.1161.9171.862.7000108.9I76 A115 L119 L127 L157 M164 V169 A170 V171I76-L125 HydrophobicContact CB-CD1 4.06Å; I76-L125 HydrophobicContact CG2-CD1 3.96Å; I76-L125 WeakPolarHBondContact O-CA 3.35Å; A115-L125 HydrophobicContact CB-CB 4.27Å; A115-L125 HydrophobicContact CB-CD1 4.42Å; A115-L125 HydrophobicContact CB-CD2 3.85Å; A115-L125 HydrophobicContact CB-CG 4.41Å; L119-L125 HydrophobicContact CD2-CB 4.48Å; L125-L127 HydrophobicContact CD1-CD2 4.13Å; L125-L127 HydrophobicContact CD2-CD2 4.48Å; L125-L127 HydrophobicContact CG-CD2 4.31Å; L125-L127 HydrophobicContact CG-CG 4.47Å; L125-L157 HydrophobicContact CD2-CD1 3.79Å; L125-M164 HydrophobicContact CB-CE 4.22Å; L125-M164 HydrophobicContact CD2-CE 4.43Å; L125-M164 HydrophobicContact CD2-SD 4.45Å; L125-V169 PolarHBondContact N-O 2.95Å; L125-A170 HydrophobicContact CD2-CB 4.43Å; L125-A170 CarbonylContact O-C 3.22Å; L125-A170 WeakPolarHBondContact O-CA 3.42Å; L125-V171 PolarHBondContact O-N 3.12Å
126T98.9Very high98.2Very high0 Ų035.1 Ų35.10%023%0.233CC..EExtended strand (participates in β ladder)trans-109.5139.7169.870.70000111.4I76 L77 C78 L124 V171 F205 W208I76-T126 PolarHBondContact O-N 3.17Å; L77-T126 WeakPolarHBondContact CA-OG1 3.4Å; L77-T126 HydrophobicContact CD2-CG2 3.64Å; L77-T126 WeakPolarHBondContact CD2-OG1 3.3Å; C78-T126 WeakPolarHBondContact CA-O 3.29Å; C78-T126 VanDerWaalsContact CB-O 3.32Å; C78-T126 WeakPolarHBondContact CB-O 3.48Å; C78-T126 PolarHBondContact N-O 3.16Å; L124-T126 HydrophobicContact CD1-CG2 4.12Å; L124-T126 HydrophobicContact CD2-CG2 3.79Å; L124-T126 HydrophobicContact CG-CG2 3.86Å; T126-V171 CarbonylContact C-O 3.56Å; T126-V171 WeakPolarHBondContact CA-O 3.43Å; T126-F205 HydrophobicContact CG2-CD1 3.99Å; T126-F205 HydrophobicContact CG2-CE1 3.85Å; T126-F205 HydrophobicContact CG2-CG 4.42Å; T126-F205 HydrophobicContact CG2-CZ 4.17Å; T126-W208 HydrophobicContact CG2-CE3 4.27Å
127L98.9Very high98.2Very high1 Ų134.2 Ų34.21%0.00522%0.223CC..EExtended strand (participates in β ladder)trans-118.1153.2175.6-60178000111.5C78 L125 V150 L153 C154 L157 V171 A172 I173C78-L127 HydrophobicContact CB-CD2 4Å; L125-L127 HydrophobicContact CD1-CD2 4.13Å; L125-L127 HydrophobicContact CD2-CD2 4.48Å; L125-L127 HydrophobicContact CG-CD2 4.31Å; L125-L127 HydrophobicContact CG-CG 4.47Å; L127-V150 HydrophobicContact CB-CG1 3.76Å; L127-V150 HydrophobicContact CD1-CG1 4.24Å; L127-L153 HydrophobicContact CD1-CD2 4.24Å; L127-L153 HydrophobicContact CD1-CG 4.25Å; L127-C154 HydrophobicContact CD1-CB 4.15Å; L127-L157 HydrophobicContact CD1-CD1 4.05Å; L127-V171 PolarHBondContact N-O 2.84Å; L127-A172 HydrophobicContact CB-CB 4.2Å; L127-A172 VanDerWaalsContact O-CA 3.3Å; L127-A172 WeakPolarHBondContact O-CA 3.3Å; L127-I173 PolarHBondContact O-N 3.4Å
128A98.6Very high98.2Very high14 Ų1436.3 Ų36.312%0.11624%0.24CC..EExtended strand (participates in β ladder)trans-100.193.4-179.800000111.6C78 K147C78-A128 PolarHBondContact O-N 3.32Å; A128-K147 WeakPolarHBondContact O-CD 3.44Å; A128-K147 WeakPolarHBondContact O-CE 3.44Å; A128-K147 PolarHBondContact O-NZ 2.89Å
129G98.6Very high98.1Very high3 Ų338 Ų383%0.03126%0.261CS..  trans-82.1-154.7169.800000113H151 I173G129-H151 WeakPolarHBondContact CA-NE2 3.22Å; G129-I173 CarbonylContact C-O 3.59Å; G129-I173 WeakPolarHBondContact CA-O 3.26Å; G129-I173 PolarHBondContact N-O 3.38Å
130A98.3Very high98.1Very high1 Ų139.5 Ų39.51%0.00827%0.269CS..  trans-161.9134.5177.300000109.5A132 S133 Y143 K147 H151A130-A132 VanDerWaalsContact C-N 3.27Å; A130-A132 PolarHBondContact O-N 3.32Å; A130-S133 PolarHBondContact O-N 3.45Å; A130-Y143 HydrophobicContact CB-CE1 3.79Å; A130-Y143 WeakPolarHBondContact CB-OH 3.4Å; A130-K147 HydrophobicContact CB-CB 3.94Å; A130-K147 HydrophobicContact CB-CD 4.41Å; A130-K147 HydrophobicContact CB-CG 3.79Å; A130-H151 PolarHBondContact N-NE2 3.32Å; A130-H151 PolarHBondContact O-CE1 3.21Å; A130-H151 PolarHBondContact O-NE2 3.35Å
131K97.8Very high98.1Very high77 Ų7737.8 Ų37.834%0.33526%0.263SS..G310 helixtrans-60.8-39.2179-173.3-167.817378.10111.7S133 L134 L174 P175 V176K131-S133 PolarHBondContact O-N 2.93Å; K131-L134 HydrophobicContact CG-CD1 4.41Å; K131-L134 WeakPolarHBondContact O-CB 3.44Å; K131-L134 WeakPolarHBondContact O-CG 3.48Å; K131-L134 PolarHBondContact O-N 2.92Å; K131-L174 HydrophobicContact CB-CB 4.48Å; K131-P175 PolarHBondContact N-O 3.21Å; K131-P175 VanDerWaalsContact N-O 3.08Å; K131-V176 HydrophobicContact CB-CG2 4.18Å; K131-V176 HydrophobicContact CD-CG2 3.48Å; K131-V176 VanDerWaalsContact CD-CG2 3.48Å; K131-V176 HydrophobicContact CG-CG2 4.47Å
132A97.1Very high98.1Very high50 Ų5030.8 Ų30.841%0.41323%0.232SC..G310 helixtrans-61.2-28.6-177.300000113.3A130 L134 G135 T137 M140A130-A132 VanDerWaalsContact C-N 3.27Å; A130-A132 PolarHBondContact O-N 3.32Å; A132-L134 PolarHBondContact O-N 3.27Å; A132-G135 PolarHBondContact O-N 2.75Å; A132-T137 HydrophobicContact CB-CG2 4.33Å; A132-T137 VanDerWaalsContact O-CG2 3.31Å; A132-T137 WeakPolarHBondContact O-CG2 3.32Å; A132-M140 HydrophobicContact CB-CE 3.42Å; A132-M140 VanDerWaalsContact CB-CE 3.42Å
133S97.6Very high98.1Very high5 Ų530.7 Ų30.74%0.03522%0.222CC..G310 helixtrans-849.9-177.3-51.30000114.1A130 K131 K147 S148A130-S133 PolarHBondContact O-N 3.45Å; K131-S133 PolarHBondContact O-N 2.93Å; S133-K147 WeakPolarHBondContact OG-CB 3.42Å; S133-S148 PolarHBondContact O-OG 2.91Å
134L97.4Very high98.1Very high81 Ų8130.6 Ų30.642%0.42422%0.221SC..G310 helixtrans-75.7-14163.7-65.3173.6000112.2K131 A132 L174 L220 Q222 T235K131-L134 HydrophobicContact CG-CD1 4.41Å; K131-L134 WeakPolarHBondContact O-CB 3.44Å; K131-L134 WeakPolarHBondContact O-CG 3.48Å; K131-L134 PolarHBondContact O-N 2.92Å; A132-L134 PolarHBondContact O-N 3.27Å; L134-L174 HydrophobicContact CD1-CD2 3.89Å; L134-L174 HydrophobicContact CD2-CD2 3.65Å; L134-L174 HydrophobicContact CG-CD2 3.77Å; L134-L220 HydrophobicContact CD2-CD1 4.49Å; L134-Q222 HydrophobicContact CD1-CG 4.3Å; L134-T235 HydrophobicContact CD1-CG2 3.72Å; L134-T235 HydrophobicContact CD2-CG2 3.88Å; L134-T235 HydrophobicContact CG-CG2 4.46Å
135G96.3Very high98.1Very high48 Ų4835 Ų3550%0.49524%0.243SC..SBendtrans-136.8-170.817600000112.1A132A132-G135 PolarHBondContact O-N 2.75Å
136G97.6Very high98.1Very high86 Ų8635.1 Ų35.189%0.88724%0.244SC*.  trans-68.8131.4177.900000112.5
137T98.2Very high98.1Very high23 Ų2335.5 Ų35.514%0.14125%0.245CC..  trans-116.363.3-177.159.60000111.8A132 G139 M140 V141 G144A132-T137 HydrophobicContact CB-CG2 4.33Å; A132-T137 VanDerWaalsContact O-CG2 3.31Å; A132-T137 WeakPolarHBondContact O-CG2 3.32Å; T137-G139 PolarHBondContact O-N 3.04Å; T137-M140 HydrophobicContact CG2-CE 3.78Å; T137-M140 HydrophobicContact CG2-CG 4.46Å; T137-M140 CarbonylContact O-C 3.55Å; T137-M140 PolarHBondContact O-N 3.21Å; T137-M140 PolarHBondContact OG1-O 2.87Å; T137-V141 PolarHBondContact O-N 3.49Å; T137-G144 VanDerWaalsContact OG1-CA 3.24Å; T137-G144 WeakPolarHBondContact OG1-CA 3.36Å
138S97.6Very high98.1Very high103 Ų10337.7 Ų37.772%0.7226%0.261SS*.THydrogen-bonded Turntrans-54.8-30.3-171.257.70000115.1N87N87-S138 VanDerWaalsContact CA-O 3.25Å; N87-S138 WeakPolarHBondContact CA-O 3.34Å; N87-S138 WeakPolarHBondContact CB-O 3.32Å
139G97.8Very high98.1Very high47 Ų4738.7 Ų38.749%0.48527%0.269SS..THydrogen-bonded Turntrans-86.1-6.5178.100000115.6G86 T137G86-G139 CarbonylContact C-O 3.58Å; G86-G139 PolarHBondContact N-O 3.15Å; T137-G139 PolarHBondContact O-N 3.04Å
140M98Very high98.1Very high38 Ų3838.6 Ų38.619%0.18727%0.268CS..BIsolated β-bridgetrans-151.356.7-173.359.1-173.6176.200110.9A132 T137 G142 Y143 G144A132-M140 HydrophobicContact CB-CE 3.42Å; A132-M140 VanDerWaalsContact CB-CE 3.42Å; T137-M140 HydrophobicContact CG2-CE 3.78Å; T137-M140 HydrophobicContact CG2-CG 4.46Å; T137-M140 CarbonylContact O-C 3.55Å; T137-M140 PolarHBondContact O-N 3.21Å; T137-M140 PolarHBondContact OG1-O 2.87Å; M140-G142 PolarHBondContact O-N 3.29Å; M140-Y143 HydrophobicContact CE-CD1 4.26Å; M140-Y143 HydrophobicContact CE-CE1 4.44Å; M140-Y143 HydrophobicContact CG-CD1 4.19Å; M140-Y143 PolarHBondContact O-N 3.19Å; M140-Y143 HydrophobicContact SD-CD1 3.73Å; M140-Y143 HydrophobicContact SD-CE1 4.22Å; M140-G144 PolarHBondContact O-N 2.96Å
141V98.6Very high98.2Very high30 Ų3039.1 Ų39.118%0.18227%0.27CS..Hα-helixtrans-56.6-51.5-168.41750000112.2G86 L93 T137 Y143 G144 M145G86-V141 PolarHBondContact O-N 3.29Å; L93-V141 HydrophobicContact CD1-CB 4.08Å; L93-V141 HydrophobicContact CD1-CG1 4.4Å; T137-V141 PolarHBondContact O-N 3.49Å; V141-Y143 VanDerWaalsContact C-N 3.33Å; V141-Y143 PolarHBondContact O-N 3.1Å; V141-G144 PolarHBondContact O-N 3.3Å; V141-M145 HydrophobicContact CG1-CG 4.44Å; V141-M145 HydrophobicContact CG1-SD 3.83Å; V141-M145 WeakPolarHBondContact O-CG 3.5Å; V141-M145 PolarHBondContact O-N 2.92Å
142G98.6Very high98.2Very high5 Ų540.6 Ų40.65%0.05228%0.278CS..Hα-helixtrans-62.2-37.7-179.900000113.7T97 M140 A146T97-G142 WeakPolarHBondContact OG1-CA 3.49Å; M140-G142 PolarHBondContact O-N 3.29Å; G142-A146 WeakPolarHBondContact O-CB 3.41Å; G142-A146 PolarHBondContact O-N 3.4Å; G142-A146 VanDerWaalsContact O-N 3.07Å
143Y98.7Very high98.3Very high29 Ų2939.9 Ų39.911%0.11427%0.268CS..Hα-helixtrans-65.8-46.3174.5176.3-95.5000111.5G82 W83 M100 A130 M140 V141 A146 K147G82-Y143 WeakPolarHBondContact O-CE2 3.36Å; W83-Y143 HydrophobicContact CB-CE2 4.45Å; W83-Y143 AromaticContact CD1-CD2 3.84Å; W83-Y143 AromaticContact CD1-CE2 3.78Å; W83-Y143 AromaticContact CD1-CZ 3.99Å; W83-Y143 HydrophobicContact CG-CD2 4.46Å; W83-Y143 HydrophobicContact CG-CE2 4.48Å; M100-Y143 HydrophobicContact SD-CD2 3.82Å; A130-Y143 HydrophobicContact CB-CE1 3.79Å; A130-Y143 WeakPolarHBondContact CB-OH 3.4Å; M140-Y143 HydrophobicContact CE-CD1 4.26Å; M140-Y143 HydrophobicContact CE-CE1 4.44Å; M140-Y143 HydrophobicContact CG-CD1 4.19Å; M140-Y143 PolarHBondContact O-N 3.19Å; M140-Y143 HydrophobicContact SD-CD1 3.73Å; M140-Y143 HydrophobicContact SD-CE1 4.22Å; V141-Y143 VanDerWaalsContact C-N 3.33Å; V141-Y143 PolarHBondContact O-N 3.1Å; Y143-A146 PolarHBondContact O-N 3.45Å; Y143-K147 HydrophobicContact CD2-CG 4.3Å; Y143-K147 HydrophobicContact CE1-CG 4.16Å; Y143-K147 HydrophobicContact CE2-CG 3.97Å; Y143-K147 WeakPolarHBondContact O-CB 3.33Å; Y143-K147 WeakPolarHBondContact O-CG 3.48Å; Y143-K147 PolarHBondContact O-N 2.99Å
144G98.7Very high98.4Very high2 Ų239.7 Ų39.72%0.02127%0.266CS..Hα-helixtrans-52.2-58.8174.400000112.1T137 M140 V141 A146 K147 S148T137-G144 VanDerWaalsContact OG1-CA 3.24Å; T137-G144 WeakPolarHBondContact OG1-CA 3.36Å; M140-G144 PolarHBondContact O-N 2.96Å; V141-G144 PolarHBondContact O-N 3.3Å; G144-A146 PolarHBondContact O-N 2.7Å; G144-K147 PolarHBondContact O-N 3.48Å; G144-S148 PolarHBondContact O-N 3.33Å; G144-S148 PolarHBondContact O-OG 3.31Å; G144-S148 VanDerWaalsContact O-OG 3.09Å
145M98.8Very high98.4Very high93 Ų9341 Ų4146%0.45827%0.27SS..Hα-helixtrans-52.8-51.4179-69.3169.765.900112W101 V141 K147 S148 A149W101-M145 HydrophobicContact CZ2-CE 4.44Å; V141-M145 HydrophobicContact CG1-CG 4.44Å; V141-M145 HydrophobicContact CG1-SD 3.83Å; V141-M145 WeakPolarHBondContact O-CG 3.5Å; V141-M145 PolarHBondContact O-N 2.92Å; M145-K147 VanDerWaalsContact C-N 3.34Å; M145-K147 PolarHBondContact O-N 3.36Å; M145-S148 PolarHBondContact O-N 3.08Å; M145-A149 PolarHBondContact O-N 2.81Å
146A98.9Very high98.5Very high1 Ų141.5 Ų41.51%0.00827%0.266CS..Hα-helixtrans-61.7-42.2-177.100000111.9M100 V105 G142 Y143 G144 V150M100-A146 HydrophobicContact CB-CB 3.95Å; V105-A146 HydrophobicContact CG2-CB 4.05Å; G142-A146 WeakPolarHBondContact O-CB 3.41Å; G142-A146 PolarHBondContact O-N 3.4Å; G142-A146 VanDerWaalsContact O-N 3.07Å; Y143-A146 PolarHBondContact O-N 3.45Å; G144-A146 PolarHBondContact O-N 2.7Å; A146-V150 WeakPolarHBondContact O-CG2 3.33Å; A146-V150 PolarHBondContact O-N 2.99Å
147K98.7Very high98.6Very high8 Ų838.2 Ų38.24%0.03523%0.228CC..Hα-helixtrans-75.7-35-179.7-66.5-56.7-167.6-169.20113S104 A128 A130 S133 Y143 G144 M145 A149 V150 H151S104-K147 WeakPolarHBondContact OG-CE 3.43Å; S104-K147 PolarHBondContact OG-NZ 3.48Å; A128-K147 WeakPolarHBondContact O-CD 3.44Å; A128-K147 WeakPolarHBondContact O-CE 3.44Å; A128-K147 PolarHBondContact O-NZ 2.89Å; A130-K147 HydrophobicContact CB-CB 3.94Å; A130-K147 HydrophobicContact CB-CD 4.41Å; A130-K147 HydrophobicContact CB-CG 3.79Å; S133-K147 WeakPolarHBondContact OG-CB 3.42Å; Y143-K147 HydrophobicContact CD2-CG 4.3Å; Y143-K147 HydrophobicContact CE1-CG 4.16Å; Y143-K147 HydrophobicContact CE2-CG 3.97Å; Y143-K147 WeakPolarHBondContact O-CB 3.33Å; Y143-K147 WeakPolarHBondContact O-CG 3.48Å; Y143-K147 PolarHBondContact O-N 2.99Å; G144-K147 PolarHBondContact O-N 3.48Å; M145-K147 VanDerWaalsContact C-N 3.34Å; M145-K147 PolarHBondContact O-N 3.36Å; K147-A149 VanDerWaalsContact C-N 3.31Å; K147-A149 PolarHBondContact O-N 3.36Å; K147-V150 WeakPolarHBondContact O-CB 3.27Å; K147-V150 PolarHBondContact O-N 2.83Å; K147-H151 PolarHBondContact O-CD2 3.34Å; K147-H151 PolarHBondContact O-N 2.93Å; K147-H151 PolarHBondContact O-NE2 3.23Å
148S98.8Very high98.6Very high47 Ų4739.2 Ų39.233%0.32924%0.238SC..Hα-helixtrans-64.5-36.6172.5-58.40000111.7S133 G144 M145 V150 H151 Q152S133-S148 PolarHBondContact O-OG 2.91Å; G144-S148 PolarHBondContact O-N 3.33Å; G144-S148 PolarHBondContact O-OG 3.31Å; G144-S148 VanDerWaalsContact O-OG 3.09Å; M145-S148 PolarHBondContact O-N 3.08Å; S148-V150 VanDerWaalsContact C-N 3.3Å; S148-V150 PolarHBondContact O-N 3.5Å; S148-H151 WeakPolarHBondContact O-CB 3.39Å; S148-H151 PolarHBondContact O-N 3Å; S148-H151 VanDerWaalsContact O-N 3.16Å; S148-Q152 PolarHBondContact O-N 3.12Å
149A98.9Very high98.6Very high36 Ų3636 Ų3630%0.29822%0.222SC..Hα-helixtrans-61-38.8172.300000112V105 M145 K147 H151 Q152 L153V105-A149 HydrophobicContact CG2-CB 4.13Å; M145-A149 PolarHBondContact O-N 2.81Å; K147-A149 VanDerWaalsContact C-N 3.31Å; K147-A149 PolarHBondContact O-N 3.36Å; A149-H151 VanDerWaalsContact C-N 3.34Å; A149-Q152 PolarHBondContact O-N 3.47Å; A149-L153 WeakPolarHBondContact O-CB 3.28Å; A149-L153 PolarHBondContact O-N 3.36Å
150V98.9Very high98.5Very high1 Ų142.8 Ų42.81%0.00624%0.241CC..Hα-helixtrans-65.2-36.6174.1175.40000112S108 L127 A146 K147 S148 L153 C154S108-V150 WeakPolarHBondContact OG-CG2 3.5Å; L127-V150 HydrophobicContact CB-CG1 3.76Å; L127-V150 HydrophobicContact CD1-CG1 4.24Å; A146-V150 WeakPolarHBondContact O-CG2 3.33Å; A146-V150 PolarHBondContact O-N 2.99Å; K147-V150 WeakPolarHBondContact O-CB 3.27Å; K147-V150 PolarHBondContact O-N 2.83Å; S148-V150 VanDerWaalsContact C-N 3.3Å; S148-V150 PolarHBondContact O-N 3.5Å; V150-L153 PolarHBondContact O-N 3.24Å; V150-C154 PolarHBondContact O-N 3.47Å
151H98.8Very high98.4Very high12 Ų1249.1 Ų49.16%0.05628%0.275CS..Hα-helixtrans-65-47.2176.8-58.2171.7000111G129 A130 K147 S148 A149 L153 C154 Q155 L220G129-H151 WeakPolarHBondContact CA-NE2 3.22Å; A130-H151 PolarHBondContact N-NE2 3.32Å; A130-H151 PolarHBondContact O-CE1 3.21Å; A130-H151 PolarHBondContact O-NE2 3.35Å; K147-H151 PolarHBondContact O-CD2 3.34Å; K147-H151 PolarHBondContact O-N 2.93Å; K147-H151 PolarHBondContact O-NE2 3.23Å; S148-H151 WeakPolarHBondContact O-CB 3.39Å; S148-H151 PolarHBondContact O-N 3Å; S148-H151 VanDerWaalsContact O-N 3.16Å; A149-H151 VanDerWaalsContact C-N 3.34Å; H151-L153 VanDerWaalsContact C-N 3.33Å; H151-L153 PolarHBondContact O-N 3.1Å; H151-C154 WeakPolarHBondContact O-CB 3.35Å; H151-C154 PolarHBondContact O-N 2.97Å; H151-Q155 PolarHBondContact O-N 3.19Å; H151-L220 HydrophobicContact CB-CD1 3.96Å; H151-L220 HydrophobicContact CB-CD2 4.05Å
152Q98.8Very high98.4Very high108 Ų10849.9 Ų49.951%0.50528%0.282SS..Hα-helixtrans-60.7-44.9177-168.8-76.1-1500110.6S148 A149 C154 Q155 S156S148-Q152 PolarHBondContact O-N 3.12Å; A149-Q152 PolarHBondContact O-N 3.47Å; Q152-C154 VanDerWaalsContact C-N 3.31Å; Q152-C154 PolarHBondContact O-N 2.93Å; Q152-Q155 WeakPolarHBondContact O-CB 3.44Å; Q152-Q155 PolarHBondContact O-N 3.07Å; Q152-Q155 VanDerWaalsContact O-N 3.1Å; Q152-S156 PolarHBondContact NE2-OG 3.12Å; Q152-S156 PolarHBondContact O-N 2.82Å; Q152-S156 PolarHBondContact O-OG 3.29Å
153L98.9Very high98.4Very high35 Ų3552 Ų5218%0.18331%0.305CS..Hα-helixtrans-56.7-44.4176.1173.161.7000111.5L127 A149 V150 H151 Q155 S156 L157L127-L153 HydrophobicContact CD1-CD2 4.24Å; L127-L153 HydrophobicContact CD1-CG 4.25Å; A149-L153 WeakPolarHBondContact O-CB 3.28Å; A149-L153 PolarHBondContact O-N 3.36Å; V150-L153 PolarHBondContact O-N 3.24Å; H151-L153 VanDerWaalsContact C-N 3.33Å; H151-L153 PolarHBondContact O-N 3.1Å; L153-Q155 VanDerWaalsContact C-N 3.28Å; L153-Q155 PolarHBondContact O-N 3.4Å; L153-S156 PolarHBondContact O-N 2.96Å; L153-L157 HydrophobicContact CD1-CD1 4.11Å; L153-L157 HydrophobicContact CD1-CG 4.12Å; L153-L157 HydrophobicContact CG-CD1 4.01Å; L153-L157 HydrophobicContact CG-CG 4.49Å; L153-L157 VanDerWaalsContact O-CG 3.26Å; L153-L157 WeakPolarHBondContact O-CG 3.21Å; L153-L157 PolarHBondContact O-N 2.66Å
154C98.9Very high98.4Very high0 Ų052 Ų520%031%0.306CS..Hα-helixtrans-57.1-42.1177.2-1710000112.2L127 V150 H151 Q152 A172 L220L127-C154 HydrophobicContact CD1-CB 4.15Å; V150-C154 PolarHBondContact O-N 3.47Å; H151-C154 WeakPolarHBondContact O-CB 3.35Å; H151-C154 PolarHBondContact O-N 2.97Å; Q152-C154 VanDerWaalsContact C-N 3.31Å; Q152-C154 PolarHBondContact O-N 2.93Å; C154-A172 HydrophobicContact CB-CB 3.98Å; C154-A172 PolarHBondContact SG-N 3.49Å; C154-L220 HydrophobicContact CB-CD2 4.01Å
155Q98.6Very high98.4Very high110 Ų11052.8 Ų52.851%0.51431%0.311SS..Hα-helixtrans-69.4-41.5177.3-66.7176.7-32.400111.5H151 Q152 L153 L157 A158 G159H151-Q155 PolarHBondContact O-N 3.19Å; Q152-Q155 WeakPolarHBondContact O-CB 3.44Å; Q152-Q155 PolarHBondContact O-N 3.07Å; Q152-Q155 VanDerWaalsContact O-N 3.1Å; L153-Q155 VanDerWaalsContact C-N 3.28Å; L153-Q155 PolarHBondContact O-N 3.4Å; Q155-L157 VanDerWaalsContact C-N 3.28Å; Q155-L157 PolarHBondContact O-N 2.68Å; Q155-A158 WeakPolarHBondContact O-CB 3.36Å; Q155-A158 PolarHBondContact O-N 3.4Å; Q155-A158 VanDerWaalsContact O-N 3.12Å; Q155-G159 PolarHBondContact O-N 2.75Å
156S98.8Very high98.3Very high58 Ų5852.7 Ų52.741%0.40632%0.317SS..Hα-helixtrans-60.5-36.5175.9-680000112.8Q152 L153 A158 G159 S162Q152-S156 PolarHBondContact NE2-OG 3.12Å; Q152-S156 PolarHBondContact O-N 2.82Å; Q152-S156 PolarHBondContact O-OG 3.29Å; L153-S156 PolarHBondContact O-N 2.96Å; S156-A158 PolarHBondContact O-N 3.23Å; S156-G159 PolarHBondContact O-N 3.5Å; S156-G159 VanDerWaalsContact O-N 3.12Å; S156-S162 WeakPolarHBondContact O-CB 3.49Å
157L98.8Very high98.3Very high16 Ų1655.6 Ų55.68%0.08435%0.347CS..Hα-helixtrans-66.5-22.3177.5-69.4164.5000113.6S112 L125 L127 L153 Q155 S162 M164 A170S112-L157 WeakPolarHBondContact OG-CD1 3.49Å; L125-L157 HydrophobicContact CD2-CD1 3.79Å; L127-L157 HydrophobicContact CD1-CD1 4.05Å; L153-L157 HydrophobicContact CD1-CD1 4.11Å; L153-L157 HydrophobicContact CD1-CG 4.12Å; L153-L157 HydrophobicContact CG-CD1 4.01Å; L153-L157 HydrophobicContact CG-CG 4.49Å; L153-L157 VanDerWaalsContact O-CG 3.26Å; L153-L157 WeakPolarHBondContact O-CG 3.21Å; L153-L157 PolarHBondContact O-N 2.66Å; Q155-L157 VanDerWaalsContact C-N 3.28Å; Q155-L157 PolarHBondContact O-N 2.68Å; L157-S162 WeakPolarHBondContact O-CB 3.48Å; L157-S162 PolarHBondContact O-OG 3.13Å; L157-M164 HydrophobicContact CB-CG 4.24Å; L157-M164 HydrophobicContact CD2-CG 4.03Å; L157-M164 HydrophobicContact CD2-SD 4.08Å; L157-M164 WeakPolarHBondContact O-CG 3.19Å; L157-A170 HydrophobicContact CB-CB 3.73Å; L157-A170 HydrophobicContact CD1-CB 4.1Å
158A98.1Very high98.3Very high44 Ų4455.8 Ų55.836%0.36435%0.35SS..THydrogen-bonded Turntrans-86.3-11.3175.700000113.7Q155 S156 S217Q155-A158 WeakPolarHBondContact O-CB 3.36Å; Q155-A158 PolarHBondContact O-N 3.4Å; Q155-A158 VanDerWaalsContact O-N 3.12Å; S156-A158 PolarHBondContact O-N 3.23Å; A158-S217 VanDerWaalsContact CB-C 3.48Å
159G97.8Very high98.2Very high37 Ų3754.4 Ų54.438%0.38134%0.339SS..SBendtrans-69.1160.7177.300000112.9Q155 S156 S162Q155-G159 PolarHBondContact O-N 2.75Å; S156-G159 PolarHBondContact O-N 3.5Å; S156-G159 VanDerWaalsContact O-N 3.12Å; G159-S162 WeakPolarHBondContact O-CB 3.41Å; G159-S162 PolarHBondContact O-OG 3.18Å
160E95.3Very high98.2Very high189 Ų18952.7 Ų52.788%0.88333%0.325SS*.THydrogen-bonded Turntrans-60.1147.9168.9-63.4-177.8171.300110.3S162E160-S162 PolarHBondContact O-N 2.99Å
161D96.2Very high98.2Very high170 Ų17052.7 Ų52.791%0.90933%0.325SS*.THydrogen-bonded Turntrans56.820.3-179.5-58.3-36.1000115.9G163D161-G163 PolarHBondContact O-N 2.89Å; D161-G163 VanDerWaalsContact O-N 3.13Å
162S98.1Very high98.2Very high47 Ų4752.1 Ų52.133%0.32932%0.322SS..SBendtrans-66.4-12.9177.572.10000114.4S156 L157 G159 E160 M164S156-S162 WeakPolarHBondContact O-CB 3.49Å; L157-S162 WeakPolarHBondContact O-CB 3.48Å; L157-S162 PolarHBondContact O-OG 3.13Å; G159-S162 WeakPolarHBondContact O-CB 3.41Å; G159-S162 PolarHBondContact O-OG 3.18Å; E160-S162 PolarHBondContact O-N 2.99Å; S162-M164 VanDerWaalsContact C-N 3.29Å; S162-M164 WeakPolarHBondContact OG-CB 3.41Å; S162-M164 WeakPolarHBondContact OG-CG 3.49Å; S162-M164 PolarHBondContact OG-N 3.36Å
163G98.5Very high98.2Very high50 Ų5047.2 Ų47.252%0.51530%0.3SS..  trans82.6-0.1-173.500000114.2A116 D161A116-G163 WeakPolarHBondContact CB-O 3.39Å; D161-G163 PolarHBondContact O-N 2.89Å; D161-G163 VanDerWaalsContact O-N 3.13Å
164M98.7Very high98.2Very high28 Ų2845.6 Ų45.614%0.13829%0.291CS..PPolyproline II helixtrans-66.6143.7173.6-74.3-67.2-70.600111.4A115 L119 L125 L157 S162 A168 A170A115-M164 HydrophobicContact CB-CE 4.25Å; A115-M164 HydrophobicContact CB-SD 3.91Å; L119-M164 HydrophobicContact CD2-CE 4.02Å; L125-M164 HydrophobicContact CB-CE 4.22Å; L125-M164 HydrophobicContact CD2-CE 4.43Å; L125-M164 HydrophobicContact CD2-SD 4.45Å; L157-M164 HydrophobicContact CB-CG 4.24Å; L157-M164 HydrophobicContact CD2-CG 4.03Å; L157-M164 HydrophobicContact CD2-SD 4.08Å; L157-M164 WeakPolarHBondContact O-CG 3.19Å; S162-M164 VanDerWaalsContact C-N 3.29Å; S162-M164 WeakPolarHBondContact OG-CB 3.41Å; S162-M164 WeakPolarHBondContact OG-CG 3.49Å; S162-M164 PolarHBondContact OG-N 3.36Å; M164-A168 HydrophobicContact CE-CB 3.92Å; M164-A170 HydrophobicContact CE-CB 4.45Å
165P98.4Very high98.1Very high19 Ų1946.5 Ų46.512%0.12330%0.297CS..PPolyproline II helixtrans-61.1149.3177.2-22.833.6000112.3L119 G167 A168L119-P165 HydrophobicContact CB-CG 4.19Å; P165-G167 PolarHBondContact O-N 3.31Å; P165-A168 HydrophobicContact CB-CB 4.16Å; P165-A168 HydrophobicContact CG-CB 4.41Å; P165-A168 WeakPolarHBondContact O-CB 3.4Å; P165-A168 PolarHBondContact O-N 3.5Å
166P98.1Very high97.9Very high91 Ų9145 Ų4559%0.59130%0.295SS*.THydrogen-bonded Turntrans-50130.8176.4-30.334.4000113.3Q121 G122 A168Q121-P166 CarbonylContact C-O 3.56Å; Q121-P166 VanDerWaalsContact CA-O 3.27Å; Q121-P166 WeakPolarHBondContact CA-O 3.39Å; Q121-P166 WeakPolarHBondContact CB-O 3.33Å; Q121-P166 HydrophobicContact CG-CB 4.34Å; Q121-P166 HydrophobicContact CG-CG 4.46Å; G122-P166 PolarHBondContact N-O 2.97Å; P166-A168 PolarHBondContact O-N 3.41Å; P166-A168 VanDerWaalsContact O-N 3.1Å
167G97.5Very high97.8Very high62 Ų6244 Ų4464%0.63929%0.287SS*.THydrogen-bonded Turntrans69-1.6-179.600000115.4G122 P165G122-G167 WeakPolarHBondContact CA-O 3.23Å; P165-G167 PolarHBondContact O-N 3.31Å
168A98.4Very high97.7Very high11 Ų1144.8 Ų44.89%0.09129%0.291CS..  trans-68.2150.217400000110.9L119 G123 M164 P165 P166L119-A168 HydrophobicContact CD2-CB 3.91Å; G123-A168 CarbonylContact O-C 3.54Å; G123-A168 VanDerWaalsContact O-CA 3.26Å; G123-A168 WeakPolarHBondContact O-CA 3.47Å; M164-A168 HydrophobicContact CE-CB 3.92Å; P165-A168 HydrophobicContact CB-CB 4.16Å; P165-A168 HydrophobicContact CG-CB 4.41Å; P165-A168 WeakPolarHBondContact O-CB 3.4Å; P165-A168 PolarHBondContact O-N 3.5Å; P166-A168 PolarHBondContact O-N 3.41Å; P166-A168 VanDerWaalsContact O-N 3.1Å
169V98.6Very high97.6Very high19 Ų1944.3 Ų44.312%0.11528%0.282CS..EExtended strand (participates in β ladder)trans-122127.1-173.6166.10000109.6G123 L124 L125 V171 R214 P215G123-V169 PolarHBondContact O-N 3.06Å; L124-V169 HydrophobicContact CD1-CB 4.46Å; L124-V169 HydrophobicContact CD1-CG1 4.17Å; L125-V169 PolarHBondContact N-O 2.95Å; V169-V171 HydrophobicContact CG1-CG2 3.54Å; V169-R214 HydrophobicContact CG1-CG 4.15Å; V169-P215 WeakPolarHBondContact CG1-O 3.5Å
170A98.8Very high97.5Very high0 Ų043.3 Ų43.30%027%0.269CS..EExtended strand (participates in β ladder)trans-103.5126.216900000109.7L125 L157 M164 S217 G218L125-A170 HydrophobicContact CD2-CB 4.43Å; L125-A170 CarbonylContact O-C 3.22Å; L125-A170 WeakPolarHBondContact O-CA 3.42Å; L157-A170 HydrophobicContact CB-CB 3.73Å; L157-A170 HydrophobicContact CD1-CB 4.1Å; M164-A170 HydrophobicContact CE-CB 4.45Å; A170-S217 PolarHBondContact N-OG 2.92Å; A170-S217 CarbonylContact O-C 3.46Å; A170-S217 WeakPolarHBondContact O-CA 3.31Å; A170-G218 PolarHBondContact O-N 3.38Å
171V98.8Very high97.4Very high0 Ų039.3 Ų39.30%026%0.259CS..EExtended strand (participates in β ladder)trans-136.1135.5179.51740000109.9L125 T126 L127 V169 W208 P215 M221L125-V171 PolarHBondContact O-N 3.12Å; T126-V171 CarbonylContact C-O 3.56Å; T126-V171 WeakPolarHBondContact CA-O 3.43Å; L127-V171 PolarHBondContact N-O 2.84Å; V169-V171 HydrophobicContact CG1-CG2 3.54Å; V171-W208 HydrophobicContact CB-CZ3 4.39Å; V171-W208 HydrophobicContact CG1-CE3 4.44Å; V171-W208 HydrophobicContact CG1-CH2 3.95Å; V171-W208 HydrophobicContact CG1-CZ3 3.7Å; V171-P215 HydrophobicContact CG1-CG 4.28Å; V171-P215 HydrophobicContact CG2-CB 4.01Å; V171-P215 HydrophobicContact CG2-CG 4.31Å; V171-M221 HydrophobicContact CG1-CB 4.41Å; V171-M221 HydrophobicContact CG1-CG 3.52Å
172A98.8Very high97.1Very high0 Ų035.2 Ų35.20%024%0.235CC..EExtended strand (participates in β ladder)trans-103.2131.6172.600000110.5L127 C154 L174 S219 L220 M221L127-A172 HydrophobicContact CB-CB 4.2Å; L127-A172 VanDerWaalsContact O-CA 3.3Å; L127-A172 WeakPolarHBondContact O-CA 3.3Å; C154-A172 HydrophobicContact CB-CB 3.98Å; C154-A172 PolarHBondContact SG-N 3.49Å; A172-L174 HydrophobicContact CB-CD1 3.97Å; A172-L174 WeakPolarHBondContact O-CD1 3.49Å; A172-S219 PolarHBondContact N-O 3.49Å; A172-L220 HydrophobicContact CB-CD2 3.8Å; A172-M221 PolarHBondContact O-N 3.08Å
173I98.6Very high96.9Very high6 Ų635.1 Ų35.13%0.03123%0.232CC..EExtended strand (participates in β ladder)trans-88.6139.716757.8161.6000110.7L127 G129 P175 I201 F205 W208 M221 L223L127-I173 PolarHBondContact O-N 3.4Å; G129-I173 CarbonylContact C-O 3.59Å; G129-I173 WeakPolarHBondContact CA-O 3.26Å; G129-I173 PolarHBondContact N-O 3.38Å; I173-P175 VanDerWaalsContact C-CD 3.45Å; I173-P175 VanDerWaalsContact O-CD 3.3Å; I173-P175 WeakPolarHBondContact O-CD 3.36Å; I173-I201 HydrophobicContact CD1-CD1 4.25Å; I173-I201 HydrophobicContact CD1-CG2 3.91Å; I173-F205 HydrophobicContact CD1-CE1 4.23Å; I173-F205 HydrophobicContact CD1-CZ 3.63Å; I173-F205 HydrophobicContact CG1-CE1 4.45Å; I173-F205 HydrophobicContact CG1-CZ 4Å; I173-F205 HydrophobicContact CG2-CE1 3.66Å; I173-F205 HydrophobicContact CG2-CZ 4.09Å; I173-W208 HydrophobicContact CG2-CH2 3.89Å; I173-W208 HydrophobicContact CG2-CZ3 3.91Å; I173-M221 CarbonylContact C-O 3.54Å; I173-M221 WeakPolarHBondContact CA-O 3.43Å; I173-L223 HydrophobicContact CB-CD1 3.98Å; I173-L223 HydrophobicContact CB-CG 4.3Å; I173-L223 HydrophobicContact CD1-CD1 4Å; I173-L223 HydrophobicContact CG2-CD1 4.25Å
174L98.5Very high96.7Very high0 Ų037.7 Ų37.70%023%0.226CC..EExtended strand (participates in β ladder)trans-120.875.7-177.7-81.268.6000108.6K131 L134 A172 L220 M221 Q222 L223 T235K131-L174 HydrophobicContact CB-CB 4.48Å; L134-L174 HydrophobicContact CD1-CD2 3.89Å; L134-L174 HydrophobicContact CD2-CD2 3.65Å; L134-L174 HydrophobicContact CG-CD2 3.77Å; A172-L174 HydrophobicContact CB-CD1 3.97Å; A172-L174 WeakPolarHBondContact O-CD1 3.49Å; L174-L220 HydrophobicContact CD1-CB 3.85Å; L174-L220 HydrophobicContact CD1-CD2 4.34Å; L174-L220 HydrophobicContact CD2-CB 4.15Å; L174-M221 PolarHBondContact N-O 2.92Å; L174-Q222 HydrophobicContact CB-CG 4.47Å; L174-L223 PolarHBondContact O-N 3.39Å; L174-T235 HydrophobicContact CD2-CG2 4.2Å
175P97Very high96.5Very high20 Ų2044 Ų4413%0.1325%0.252CS..EExtended strand (participates in β ladder)trans-68.4157.1175.729.4-34.3000111.9K131 I173 L178 L223K131-P175 PolarHBondContact N-O 3.21Å; K131-P175 VanDerWaalsContact N-O 3.08Å; I173-P175 VanDerWaalsContact C-CD 3.45Å; I173-P175 VanDerWaalsContact O-CD 3.3Å; I173-P175 WeakPolarHBondContact O-CD 3.36Å; P175-L178 HydrophobicContact CB-CD2 3.64Å; P175-L178 HydrophobicContact CB-CG 4.27Å; P175-L178 HydrophobicContact CG-CD2 4.23Å; P175-L223 HydrophobicContact CB-CD1 4.44Å
176V95.1Very high96.1Very high77 Ų7750.1 Ų50.147%0.46728%0.277SS..SBendtrans-85.1-65.5165.2-175.70000109.8K131K131-V176 HydrophobicContact CB-CG2 4.18Å; K131-V176 HydrophobicContact CD-CG2 3.48Å; K131-V176 VanDerWaalsContact CD-CG2 3.48Å; K131-V176 HydrophobicContact CG-CG2 4.47Å
177T95.4Very high95.8Very high38 Ų3849.6 Ų49.623%0.23327%0.268CS..  trans-146.2130.8176.9-56.90000108.3M187 W195 T196T177-M187 HydrophobicContact CG2-CE 4.44Å; T177-W195 HydrophobicContact CG2-CD2 3.77Å; T177-W195 HydrophobicContact CG2-CE3 4.43Å; T177-W195 HydrophobicContact CG2-CG 3.9Å; T177-W195 HydrophobicContact CG2-CZ2 4.19Å; T177-T196 PolarHBondContact O-N 3.41Å
178L96.9Very high95.7Very high32 Ų3250.4 Ų50.417%0.16826%0.262CS..BIsolated β-bridgetrans-88.6141.2175.4-60.1-173000109.8L15 P175 T180 N183 T196 L198 I201L15-L178 HydrophobicContact CB-CD1 4.37Å; L15-L178 HydrophobicContact CD2-CD1 4.13Å; P175-L178 HydrophobicContact CB-CD2 3.64Å; P175-L178 HydrophobicContact CB-CG 4.27Å; P175-L178 HydrophobicContact CG-CD2 4.23Å; L178-T180 HydrophobicContact CB-CG2 3.95Å; L178-T180 PolarHBondContact O-N 2.87Å; L178-N183 PolarHBondContact O-ND2 3.37Å; L178-T196 HydrophobicContact CD2-CG2 4.36Å; L178-L198 HydrophobicContact CB-CD2 3.95Å; L178-L198 HydrophobicContact CD1-CD2 4.16Å; L178-I201 HydrophobicContact CD1-CD1 4.41Å; L178-I201 HydrophobicContact CD2-CD1 3.35Å
179D96.7Very high95.5Very high35 Ų3557.5 Ų57.519%0.18730%0.298CS..  trans-76.192.6174.5-1716.2000110.5R184 W195 T196 L198D179-R184 IonicContact OD1-CZ 2.71Å; D179-R184 IonicContact OD1-NE 2.67Å; D179-R184 PolarHBondContact OD1-NE 3.21Å; D179-R184 IonicContact OD1-NH2 3.57Å; D179-R184 PolarHBondContact OD1-NH2 2.96Å; D179-R184 IonicContact OD2-CZ 2.92Å; D179-R184 IonicContact OD2-NE 3.42Å; D179-R184 IonicContact OD2-NH2 2.7Å; D179-R184 PolarHBondContact OD2-NH2 2.89Å; D179-W195 HydrophobicContact CB-CB 3.94Å; D179-W195 HydrophobicContact CB-CE3 4.44Å; D179-T196 PolarHBondContact N-O 3.03Å; D179-L198 WeakPolarHBondContact O-CG 3.37Å
180T95Very high95.4Very high15 Ų1558.2 Ų58.29%0.09231%0.306CS..  trans-120.9150.3-17970.30000110.8A14 L178 M182 N183 R184 L198A14-T180 HydrophobicContact CB-CG2 3.68Å; L178-T180 HydrophobicContact CB-CG2 3.95Å; L178-T180 PolarHBondContact O-N 2.87Å; T180-M182 PolarHBondContact O-N 3.28Å; T180-N183 PolarHBondContact O-N 3.29Å; T180-N183 VanDerWaalsContact O-N 3.12Å; T180-N183 WeakPolarHBondContact OG1-CB 3.44Å; T180-N183 PolarHBondContact OG1-N 3.36Å; T180-N183 VanDerWaalsContact OG1-N 3.08Å; T180-N183 PolarHBondContact OG1-ND2 3.23Å; T180-R184 PolarHBondContact O-N 3.45Å; T180-L198 HydrophobicContact CG2-CD1 4.42Å; T180-L198 HydrophobicContact CG2-CD2 4.11Å
181P92.6Very high95.2Very high105 Ų10563.7 Ų63.768%0.68234%0.336SS*.Hα-helixtrans-54.7-36.6174.8-26.734.8000112.9K185P181-K185 WeakPolarHBondContact O-CB 3.46Å; P181-K185 PolarHBondContact O-N 3.42Å
182M90.6Very high95Very high84 Ų8466.4 Ų66.441%0.41435%0.348SS..Hα-helixtrans-68.2-44.8178.9-170.273.2-81.900111.8T180 K185 F186T180-M182 PolarHBondContact O-N 3.28Å; M182-K185 HydrophobicContact CE-CB 3.82Å; M182-K185 HydrophobicContact CE-CD 3.69Å; M182-K185 HydrophobicContact CE-CG 3.95Å; M182-K185 PolarHBondContact O-N 3.18Å; M182-F186 HydrophobicContact CE-CD2 3.39Å; M182-F186 HydrophobicContact CE-CE1 4.26Å; M182-F186 HydrophobicContact CE-CE2 3.06Å; M182-F186 HydrophobicContact CE-CG 4.13Å; M182-F186 HydrophobicContact CE-CZ 3.54Å; M182-F186 HydrophobicContact CG-CD2 3.79Å; M182-F186 HydrophobicContact CG-CE2 3.6Å; M182-F186 VanDerWaalsContact O-CD2 3.32Å; M182-F186 WeakPolarHBondContact O-CD2 3.17Å; M182-F186 PolarHBondContact O-N 3.2Å; M182-F186 HydrophobicContact SD-CD2 4.03Å; M182-F186 HydrophobicContact SD-CE2 3.36Å; M182-F186 WeakPolarHBondContact SD-CE2 3.36Å; M182-F186 HydrophobicContact SD-CZ 4.06Å
183N93.5Very high94.8Very high46 Ų4667.6 Ų67.625%0.24636%0.36CS..Hα-helixtrans-62.2-44.6175.9-73.4-17000111.2L178 T180 K185 F186 M187 W195L178-N183 PolarHBondContact O-ND2 3.37Å; T180-N183 PolarHBondContact O-N 3.29Å; T180-N183 VanDerWaalsContact O-N 3.12Å; T180-N183 WeakPolarHBondContact OG1-CB 3.44Å; T180-N183 PolarHBondContact OG1-N 3.36Å; T180-N183 VanDerWaalsContact OG1-N 3.08Å; T180-N183 PolarHBondContact OG1-ND2 3.23Å; N183-K185 VanDerWaalsContact C-N 3.28Å; N183-K185 PolarHBondContact O-N 3.49Å; N183-F186 PolarHBondContact O-N 3.22Å; N183-M187 HydrophobicContact CB-CE 3.94Å; N183-M187 PolarHBondContact O-N 3.3Å; N183-W195 HydrophobicContact CB-CE3 4.31Å; N183-W195 HydrophobicContact CB-CH2 3.73Å; N183-W195 HydrophobicContact CB-CZ3 3.53Å; N183-W195 WeakPolarHBondContact O-CH2 3.33Å
184R95.6Very high94.6Very high104 Ų10469.6 Ų69.639%0.39237%0.374SS..Hα-helixtrans-60.1-38.8176.7-70.2-170.2179.2-137.11.4112.1D179 T180 M187 P188 F192 W195D179-R184 IonicContact OD1-CZ 2.71Å; D179-R184 IonicContact OD1-NE 2.67Å; D179-R184 PolarHBondContact OD1-NE 3.21Å; D179-R184 IonicContact OD1-NH2 3.57Å; D179-R184 PolarHBondContact OD1-NH2 2.96Å; D179-R184 IonicContact OD2-CZ 2.92Å; D179-R184 IonicContact OD2-NE 3.42Å; D179-R184 IonicContact OD2-NH2 2.7Å; D179-R184 PolarHBondContact OD2-NH2 2.89Å; T180-R184 PolarHBondContact O-N 3.45Å; R184-M187 CarbonylContact O-C 3.35Å; R184-P188 VanDerWaalsContact O-CA 3.29Å; R184-P188 WeakPolarHBondContact O-CA 3.5Å; R184-F192 HydrophobicContact CB-CE1 4.45Å; R184-F192 HydrophobicContact CB-CZ 4.25Å; R184-F192 HydrophobicContact CG-CD1 4.33Å; R184-F192 HydrophobicContact CG-CE1 3.98Å; R184-F192 HydrophobicContact CG-CE2 4.35Å; R184-F192 HydrophobicContact CG-CZ 3.99Å; R184-W195 HydrophobicContact CB-CZ3 4.34Å; R184-W195 HydrophobicContact CG-CE3 4.31Å; R184-W195 HydrophobicContact CG-CZ3 3.63Å
185K93.5Very high94.6Very high160 Ų16070.1 Ų70.170%0.69638%0.376SS*.Hα-helixtrans-66.6-38.1177178.4171.9172.1-173.30112.7P181 M182 N183P181-K185 WeakPolarHBondContact O-CB 3.46Å; P181-K185 PolarHBondContact O-N 3.42Å; M182-K185 HydrophobicContact CE-CB 3.82Å; M182-K185 HydrophobicContact CE-CD 3.69Å; M182-K185 HydrophobicContact CE-CG 3.95Å; M182-K185 PolarHBondContact O-N 3.18Å; N183-K185 VanDerWaalsContact C-N 3.28Å; N183-K185 PolarHBondContact O-N 3.49Å
186F89.6Confident94.6Very high147 Ų14769.2 Ų69.265%0.64537%0.37SS*.Hα-helixtrans-85.7-21.7-179.5-74.6-55.9000114.2M182 N183M182-F186 HydrophobicContact CE-CD2 3.39Å; M182-F186 HydrophobicContact CE-CE1 4.26Å; M182-F186 HydrophobicContact CE-CE2 3.06Å; M182-F186 HydrophobicContact CE-CG 4.13Å; M182-F186 HydrophobicContact CE-CZ 3.54Å; M182-F186 HydrophobicContact CG-CD2 3.79Å; M182-F186 HydrophobicContact CG-CE2 3.6Å; M182-F186 VanDerWaalsContact O-CD2 3.32Å; M182-F186 WeakPolarHBondContact O-CD2 3.17Å; M182-F186 PolarHBondContact O-N 3.2Å; M182-F186 HydrophobicContact SD-CD2 4.03Å; M182-F186 HydrophobicContact SD-CE2 3.36Å; M182-F186 WeakPolarHBondContact SD-CE2 3.36Å; M182-F186 HydrophobicContact SD-CZ 4.06Å; N183-F186 PolarHBondContact O-N 3.22Å
187M92.6Very high94.8Very high81 Ų8167.6 Ų67.640%0.39936%0.361SS..  trans-131.865.2179.8-61177.8-76.100110T177 N183 R184 D189 A190 F192 W195T177-M187 HydrophobicContact CG2-CE 4.44Å; N183-M187 HydrophobicContact CB-CE 3.94Å; N183-M187 PolarHBondContact O-N 3.3Å; R184-M187 CarbonylContact O-C 3.35Å; M187-D189 VanDerWaalsContact C-N 3.26Å; M187-D189 PolarHBondContact O-N 3.07Å; M187-A190 HydrophobicContact CB-CB 4.02Å; M187-A190 WeakPolarHBondContact O-CB 3.3Å; M187-A190 PolarHBondContact O-N 3.03Å; M187-F192 WeakPolarHBondContact O-CE1 3.46Å; M187-W195 HydrophobicContact CB-CH2 3.99Å; M187-W195 HydrophobicContact CB-CZ2 4.03Å; M187-W195 HydrophobicContact CE-CH2 3.84Å; M187-W195 HydrophobicContact CE-CZ2 3.68Å; M187-W195 HydrophobicContact SD-CZ2 4.28Å
188P95Very high94.9Very high79 Ų7966.4 Ų66.451%0.51335%0.353SS..THydrogen-bonded Turntrans-66.5-26-172.526.8-35.6000113.9R184 F192R184-P188 VanDerWaalsContact O-CA 3.29Å; R184-P188 WeakPolarHBondContact O-CA 3.5Å; P188-F192 WeakPolarHBondContact O-CZ 3.37Å
189D95Very high94.9Very high159 Ų15968.9 Ų68.985%0.8536%0.364SS*.THydrogen-bonded Turntrans-97.77.7-177.1-53.3-52000113.2M187M187-D189 VanDerWaalsContact C-N 3.26Å; M187-D189 PolarHBondContact O-N 3.07Å
190A95.2Very high95Very high35 Ų3570.2 Ų70.229%0.28937%0.367SS..SBendtrans-74.5153.3178.300000112M187 F192 W195M187-A190 HydrophobicContact CB-CB 4.02Å; M187-A190 WeakPolarHBondContact O-CB 3.3Å; M187-A190 PolarHBondContact O-N 3.03Å; A190-F192 HydrophobicContact CB-CD1 4.45Å; A190-F192 HydrophobicContact CB-CE1 4.2Å; A190-F192 WeakPolarHBondContact O-CD1 3.45Å; A190-F192 PolarHBondContact O-N 3.16Å; A190-W195 HydrophobicContact CB-CH2 4.27Å; A190-W195 HydrophobicContact CB-CZ2 3.49Å; A190-W195 VanDerWaalsContact CB-CZ2 3.49Å
191D94.6Very high95.2Very high115 Ų11569.6 Ų69.662%0.61536%0.363SS*.  trans-73.295.1171.4176.119.4000110.8G193 S194D191-G193 PolarHBondContact O-N 2.93Å; D191-G193 WeakPolarHBondContact OD1-CA 3.22Å; D191-G193 PolarHBondContact OD1-N 3.47Å; D191-S194 WeakPolarHBondContact O-CB 3.4Å; D191-S194 PolarHBondContact O-N 3.06Å; D191-S194 PolarHBondContact O-OG 3.45Å
192F94.8Very high95.5Very high57 Ų5764.6 Ų64.625%0.2533%0.33CS..G310 helixtrans-63.5-17.9176.8-52.9-32.9000113R184 M187 P188 A190 S194 W195R184-F192 HydrophobicContact CB-CE1 4.45Å; R184-F192 HydrophobicContact CB-CZ 4.25Å; R184-F192 HydrophobicContact CG-CD1 4.33Å; R184-F192 HydrophobicContact CG-CE1 3.98Å; R184-F192 HydrophobicContact CG-CE2 4.35Å; R184-F192 HydrophobicContact CG-CZ 3.99Å; M187-F192 WeakPolarHBondContact O-CE1 3.46Å; P188-F192 WeakPolarHBondContact O-CZ 3.37Å; A190-F192 HydrophobicContact CB-CD1 4.45Å; A190-F192 HydrophobicContact CB-CE1 4.2Å; A190-F192 WeakPolarHBondContact O-CD1 3.45Å; A190-F192 PolarHBondContact O-N 3.16Å; F192-S194 PolarHBondContact O-N 3.4Å; F192-S194 VanDerWaalsContact O-N 3.15Å; F192-W195 AromaticContact CD1-CD2 3.93Å; F192-W195 HydrophobicContact CD1-CD2 3.93Å; F192-W195 AromaticContact CD1-CE3 3.66Å; F192-W195 HydrophobicContact CD1-CE3 3.66Å; F192-W195 AromaticContact CD1-CH2 3.78Å; F192-W195 HydrophobicContact CD1-CH2 3.78Å; F192-W195 HydrophobicContact CD1-CZ2 4.03Å; F192-W195 AromaticContact CD1-CZ3 3.6Å; F192-W195 HydrophobicContact CD1-CZ3 3.6Å; F192-W195 HydrophobicContact CE1-CE3 4.23Å; F192-W195 AromaticContact CE1-CH2 3.59Å; F192-W195 HydrophobicContact CE1-CH2 3.59Å; F192-W195 HydrophobicContact CE1-CZ2 4.09Å; F192-W195 AromaticContact CE1-CZ3 3.69Å; F192-W195 HydrophobicContact CE1-CZ3 3.69Å; F192-W195 PolarHBondContact O-N 3.43Å
193G94.9Very high95.8Very high25 Ų2565.9 Ų65.926%0.25834%0.335SS..G310 helixtrans-65.4-10.9172.300000113.8D191 G227 G228D191-G193 PolarHBondContact O-N 2.93Å; D191-G193 WeakPolarHBondContact OD1-CA 3.22Å; D191-G193 PolarHBondContact OD1-N 3.47Å; G193-G227 PolarHBondContact O-N 3.11Å; G193-G228 PolarHBondContact O-N 3.22Å
194S94.9Very high96.1Very high47 Ų4764.6 Ų64.633%0.32933%0.329SS..G310 helixtrans-99.5-2.3173.372.90000114D191 F192 T225D191-S194 WeakPolarHBondContact O-CB 3.4Å; D191-S194 PolarHBondContact O-N 3.06Å; D191-S194 PolarHBondContact O-OG 3.45Å; F192-S194 PolarHBondContact O-N 3.4Å; F192-S194 VanDerWaalsContact O-N 3.15Å; S194-T225 WeakPolarHBondContact CA-O 3.21Å
195W97.5Very high96.2Very high12 Ų1259.7 Ų59.75%0.04531%0.311CS..SBendtrans-97.1136.7-176.2-66.17.3000111.2T177 D179 N183 R184 M187 A190 F192 P197T177-W195 HydrophobicContact CG2-CD2 3.77Å; T177-W195 HydrophobicContact CG2-CE3 4.43Å; T177-W195 HydrophobicContact CG2-CG 3.9Å; T177-W195 HydrophobicContact CG2-CZ2 4.19Å; D179-W195 HydrophobicContact CB-CB 3.94Å; D179-W195 HydrophobicContact CB-CE3 4.44Å; N183-W195 HydrophobicContact CB-CE3 4.31Å; N183-W195 HydrophobicContact CB-CH2 3.73Å; N183-W195 HydrophobicContact CB-CZ3 3.53Å; N183-W195 WeakPolarHBondContact O-CH2 3.33Å; R184-W195 HydrophobicContact CB-CZ3 4.34Å; R184-W195 HydrophobicContact CG-CE3 4.31Å; R184-W195 HydrophobicContact CG-CZ3 3.63Å; M187-W195 HydrophobicContact CB-CH2 3.99Å; M187-W195 HydrophobicContact CB-CZ2 4.03Å; M187-W195 HydrophobicContact CE-CH2 3.84Å; M187-W195 HydrophobicContact CE-CZ2 3.68Å; M187-W195 HydrophobicContact SD-CZ2 4.28Å; A190-W195 HydrophobicContact CB-CH2 4.27Å; A190-W195 HydrophobicContact CB-CZ2 3.49Å; A190-W195 VanDerWaalsContact CB-CZ2 3.49Å; F192-W195 AromaticContact CD1-CD2 3.93Å; F192-W195 HydrophobicContact CD1-CD2 3.93Å; F192-W195 AromaticContact CD1-CE3 3.66Å; F192-W195 HydrophobicContact CD1-CE3 3.66Å; F192-W195 AromaticContact CD1-CH2 3.78Å; F192-W195 HydrophobicContact CD1-CH2 3.78Å; F192-W195 HydrophobicContact CD1-CZ2 4.03Å; F192-W195 AromaticContact CD1-CZ3 3.6Å; F192-W195 HydrophobicContact CD1-CZ3 3.6Å; F192-W195 HydrophobicContact CE1-CE3 4.23Å; F192-W195 AromaticContact CE1-CH2 3.59Å; F192-W195 HydrophobicContact CE1-CH2 3.59Å; F192-W195 HydrophobicContact CE1-CZ2 4.09Å; F192-W195 AromaticContact CE1-CZ3 3.69Å; F192-W195 HydrophobicContact CE1-CZ3 3.69Å; F192-W195 PolarHBondContact O-N 3.43Å; W195-P197 WeakPolarHBondContact O-CD 3.42Å
196T98Very high96.5Very high1 Ų154 Ų541%0.00629%0.286CS..BIsolated β-bridgetrans-75122.3-177.5-59.50000110.9T177 L178 D179 Y200 I201 T225 T230T177-T196 PolarHBondContact O-N 3.41Å; L178-T196 HydrophobicContact CD2-CG2 4.36Å; D179-T196 PolarHBondContact N-O 3.03Å; T196-Y200 HydrophobicContact CG2-CD1 4.27Å; T196-I201 HydrophobicContact CG2-CD1 3.98Å; T196-I201 HydrophobicContact CG2-CG1 4.03Å; T196-T225 VanDerWaalsContact CA-OG1 3.32Å; T196-T225 WeakPolarHBondContact CA-OG1 3.44Å; T196-T225 PolarHBondContact OG1-OG1 3.06Å; T196-T230 HydrophobicContact CG2-CG2 3.73Å
197P98.1Very high96.9Very high42 Ų4248.5 Ų48.527%0.27327%0.266SS..PPolyproline II helixtrans-61.8144.4174.3-21.934.1000111.8W195 E199 Y200 T230W195-P197 WeakPolarHBondContact O-CD 3.42Å; P197-E199 VanDerWaalsContact C-N 3.3Å; P197-E199 PolarHBondContact O-N 3.41Å; P197-Y200 PolarHBondContact O-N 3.02Å; P197-T230 WeakPolarHBondContact CD-OG1 3.29Å
198L98.3Very high97.2Very high13 Ų1345.1 Ų45.17%0.06825%0.249CC..Hα-helixtrans-69.7-32.7-179.9-56.3-178.1000111.7A14 L15 K18 L178 D179 T180 Y200 I201 A202A14-L198 HydrophobicContact CB-CD1 4.22Å; L15-L198 HydrophobicContact CB-CD2 4.21Å; L15-L198 HydrophobicContact CD1-CB 4.32Å; L15-L198 HydrophobicContact CD1-CD2 4.25Å; K18-L198 HydrophobicContact CB-CB 4.15Å; K18-L198 HydrophobicContact CG-CB 3.96Å; L178-L198 HydrophobicContact CB-CD2 3.95Å; L178-L198 HydrophobicContact CD1-CD2 4.16Å; D179-L198 WeakPolarHBondContact O-CG 3.37Å; T180-L198 HydrophobicContact CG2-CD1 4.42Å; T180-L198 HydrophobicContact CG2-CD2 4.11Å; L198-Y200 VanDerWaalsContact C-N 3.32Å; L198-Y200 PolarHBondContact O-N 3.45Å; L198-I201 PolarHBondContact O-N 2.86Å; L198-A202 PolarHBondContact O-N 3.05Å
199E97.9Very high97.3Very high84 Ų8441.9 Ų41.939%0.39323%0.228SC..Hα-helixtrans-58.5-43.8176.9-68.369.4-155.500111.3K18 P197 I201 A202 E203K18-E199 HydrophobicContact CD-CG 4.27Å; K18-E199 WeakPolarHBondContact CD-OE1 3.49Å; K18-E199 WeakPolarHBondContact CE-OE1 3.46Å; K18-E199 IonicContact NZ-OE1 2.66Å; K18-E199 PolarHBondContact NZ-OE1 3.28Å; P197-E199 VanDerWaalsContact C-N 3.3Å; P197-E199 PolarHBondContact O-N 3.41Å; E199-I201 VanDerWaalsContact C-N 3.27Å; E199-I201 PolarHBondContact O-N 3.39Å; E199-A202 PolarHBondContact O-N 3.27Å; E199-E203 WeakPolarHBondContact O-CB 3.34Å; E199-E203 WeakPolarHBondContact O-CG 3.21Å; E199-E203 PolarHBondContact O-N 2.96Å
200Y98.3Very high97.4Very high63 Ų6338 Ų3825%0.24721%0.21CC..Hα-helixtrans-56.8-43.2177.9177.7-90.7000111.5T196 P197 L198 T204 L223 T230 A232T196-Y200 HydrophobicContact CG2-CD1 4.27Å; P197-Y200 PolarHBondContact O-N 3.02Å; L198-Y200 VanDerWaalsContact C-N 3.32Å; L198-Y200 PolarHBondContact O-N 3.45Å; Y200-T204 VanDerWaalsContact O-CB 3.28Å; Y200-T204 WeakPolarHBondContact O-CB 3.49Å; Y200-T204 PolarHBondContact O-N 3.16Å; Y200-T204 PolarHBondContact O-OG1 2.98Å; Y200-L223 HydrophobicContact CE1-CD2 4.46Å; Y200-T230 HydrophobicContact CD1-CG2 3.56Å; Y200-T230 HydrophobicContact CD2-CG2 4.41Å; Y200-T230 HydrophobicContact CE1-CG2 3.38Å; Y200-T230 HydrophobicContact CE2-CG2 4.26Å; Y200-T230 HydrophobicContact CG-CG2 4.09Å; Y200-A232 PolarHBondContact OH-N 3.41Å
201I98.4Very high97.4Very high2 Ų238.4 Ų38.41%0.0122%0.218CC..Hα-helixtrans-71.3-42.3-179.8-60.6174.5000110.7L15 I173 L178 T196 L198 E199 E203 T204 F205 L223L15-I201 HydrophobicContact CD1-CB 3.84Å; L15-I201 HydrophobicContact CD1-CD1 4.36Å; L15-I201 HydrophobicContact CD1-CG2 3.84Å; L15-I201 HydrophobicContact CD2-CD1 4.23Å; L15-I201 HydrophobicContact CD2-CG2 3.95Å; L15-I201 HydrophobicContact CG-CG2 4.49Å; I173-I201 HydrophobicContact CD1-CD1 4.25Å; I173-I201 HydrophobicContact CD1-CG2 3.91Å; L178-I201 HydrophobicContact CD1-CD1 4.41Å; L178-I201 HydrophobicContact CD2-CD1 3.35Å; T196-I201 HydrophobicContact CG2-CD1 3.98Å; T196-I201 HydrophobicContact CG2-CG1 4.03Å; L198-I201 PolarHBondContact O-N 2.86Å; E199-I201 VanDerWaalsContact C-N 3.27Å; E199-I201 PolarHBondContact O-N 3.39Å; I201-E203 VanDerWaalsContact C-N 3.32Å; I201-E203 PolarHBondContact O-N 3.49Å; I201-T204 PolarHBondContact O-N 2.83Å; I201-F205 HydrophobicContact CG2-CD1 4.29Å; I201-F205 HydrophobicContact CG2-CD2 4.02Å; I201-F205 HydrophobicContact CG2-CE1 4.02Å; I201-F205 HydrophobicContact CG2-CE2 3.72Å; I201-F205 HydrophobicContact CG2-CG 4.31Å; I201-F205 HydrophobicContact CG2-CZ 3.73Å; I201-F205 WeakPolarHBondContact O-CB 3.35Å; I201-F205 WeakPolarHBondContact O-CG 3.4Å; I201-F205 PolarHBondContact O-N 3.38Å; I201-L223 HydrophobicContact CD1-CD1 3.76Å; I201-L223 HydrophobicContact CG1-CD1 3.79Å
202A98.6Very high97.4Very high0 Ų035 Ų350%021%0.206CC..Hα-helixtrans-60.5-42.6177.300000112K18 I19 H22 L198 E199 F206K18-A202 HydrophobicContact CG-CB 4.28Å; I19-A202 HydrophobicContact CG1-CB 4.12Å; H22-A202 HydrophobicContact CB-CB 3.87Å; L198-A202 PolarHBondContact O-N 3.05Å; E199-A202 PolarHBondContact O-N 3.27Å; A202-F206 WeakPolarHBondContact O-CB 3.41Å; A202-F206 PolarHBondContact O-N 3.36Å
203E98.4Very high97.4Very high111 Ų11139.2 Ų39.252%0.51923%0.231SC..Hα-helixtrans-65.8-44.1175-73.8173.8-176.200112E199 I201 F205 F206 S207E199-E203 WeakPolarHBondContact O-CB 3.34Å; E199-E203 WeakPolarHBondContact O-CG 3.21Å; E199-E203 PolarHBondContact O-N 2.96Å; I201-E203 VanDerWaalsContact C-N 3.32Å; I201-E203 PolarHBondContact O-N 3.49Å; E203-F205 PolarHBondContact O-N 2.95Å; E203-F206 PolarHBondContact O-N 3.42Å; E203-S207 PolarHBondContact O-N 2.94Å
204T98.5Very high97.4Very high20 Ų2041.1 Ų41.112%0.12323%0.231CC..Hα-helixtrans-58.6-48.1176.4-620000110.9Y200 I201 F206 S207 W208Y200-T204 VanDerWaalsContact O-CB 3.28Å; Y200-T204 WeakPolarHBondContact O-CB 3.49Å; Y200-T204 PolarHBondContact O-N 3.16Å; Y200-T204 PolarHBondContact O-OG1 2.98Å; I201-T204 PolarHBondContact O-N 2.83Å; T204-F206 VanDerWaalsContact C-N 3.32Å; T204-F206 PolarHBondContact O-N 2.66Å; T204-S207 WeakPolarHBondContact O-CB 3.5Å; T204-S207 PolarHBondContact O-N 2.74Å; T204-W208 HydrophobicContact CG2-CD2 3.88Å; T204-W208 HydrophobicContact CG2-CE3 4.31Å; T204-W208 HydrophobicContact CG2-CH2 3.82Å; T204-W208 HydrophobicContact CG2-CZ2 3.34Å; T204-W208 HydrophobicContact CG2-CZ3 4.28Å; T204-W208 VanDerWaalsContact O-CG 3.28Å; T204-W208 PolarHBondContact O-N 3.46Å
205F98.7Very high97.5Very high1 Ų139.9 Ų39.90%0.00422%0.221CC..Hα-helixtrans-64.5-36.3177.7-73.4-4.9000112.7I19 F23 L77 V79 T126 I173 I201 E203 W208 A209I19-F205 HydrophobicContact CD1-CD2 3.64Å; I19-F205 HydrophobicContact CD1-CE2 3.81Å; I19-F205 HydrophobicContact CG1-CD2 4.34Å; F23-F205 HydrophobicContact CE2-CB 4.33Å; F23-F205 HydrophobicContact CZ-CB 4.39Å; L77-F205 HydrophobicContact CD1-CB 4.25Å; L77-F205 HydrophobicContact CD1-CD2 4.12Å; L77-F205 HydrophobicContact CD2-CB 4.32Å; L77-F205 HydrophobicContact CD2-CD2 4.13Å; L77-F205 HydrophobicContact CD2-CG 4.29Å; V79-F205 HydrophobicContact CG1-CE2 3.72Å; V79-F205 HydrophobicContact CG1-CZ 4.48Å; T126-F205 HydrophobicContact CG2-CD1 3.99Å; T126-F205 HydrophobicContact CG2-CE1 3.85Å; T126-F205 HydrophobicContact CG2-CG 4.42Å; T126-F205 HydrophobicContact CG2-CZ 4.17Å; I173-F205 HydrophobicContact CD1-CE1 4.23Å; I173-F205 HydrophobicContact CD1-CZ 3.63Å; I173-F205 HydrophobicContact CG1-CE1 4.45Å; I173-F205 HydrophobicContact CG1-CZ 4Å; I173-F205 HydrophobicContact CG2-CE1 3.66Å; I173-F205 HydrophobicContact CG2-CZ 4.09Å; I201-F205 HydrophobicContact CG2-CD1 4.29Å; I201-F205 HydrophobicContact CG2-CD2 4.02Å; I201-F205 HydrophobicContact CG2-CE1 4.02Å; I201-F205 HydrophobicContact CG2-CE2 3.72Å; I201-F205 HydrophobicContact CG2-CG 4.31Å; I201-F205 HydrophobicContact CG2-CZ 3.73Å; I201-F205 WeakPolarHBondContact O-CB 3.35Å; I201-F205 WeakPolarHBondContact O-CG 3.4Å; I201-F205 PolarHBondContact O-N 3.38Å; E203-F205 PolarHBondContact O-N 2.95Å; F205-W208 AromaticContact CD1-CE3 3.83Å; F205-W208 HydrophobicContact CD1-CE3 3.83Å; F205-W208 AromaticContact CD1-CZ3 3.91Å; F205-W208 HydrophobicContact CD1-CZ3 3.91Å; F205-W208 HydrophobicContact CE1-CE3 4.14Å; F205-W208 AromaticContact CE1-CZ3 3.77Å; F205-W208 HydrophobicContact CE1-CZ3 3.77Å; F205-A209 WeakPolarHBondContact O-CB 3.49Å; F205-A209 PolarHBondContact O-N 3.38Å
206F98.6Very high97.5Very high41 Ų4142.7 Ų42.718%0.1825%0.247CC..Hα-helixtrans-65.3-44.3174.3-177.5-97.3000112H22 F23 K26 W28 A202 E203 T204 W208 A209 T210H22-F206 AromaticContact NE2-CG 3.9Å; F23-F206 HydrophobicContact CD1-CD2 4.17Å; F23-F206 AromaticContact CE1-CD2 3.99Å; F23-F206 HydrophobicContact CE1-CD2 3.99Å; F23-F206 HydrophobicContact CE2-CB 4.15Å; F23-F206 HydrophobicContact CZ-CB 4.05Å; F23-F206 HydrophobicContact CZ-CD2 4.21Å; K26-F206 HydrophobicContact CB-CD2 4.2Å; K26-F206 HydrophobicContact CB-CE2 3.42Å; K26-F206 VanDerWaalsContact CB-CE2 3.42Å; K26-F206 HydrophobicContact CB-CZ 3.76Å; K26-F206 HydrophobicContact CD-CE1 4.2Å; K26-F206 HydrophobicContact CD-CE2 4.27Å; K26-F206 HydrophobicContact CD-CZ 3.93Å; K26-F206 HydrophobicContact CG-CD2 3.92Å; K26-F206 HydrophobicContact CG-CE1 4.25Å; K26-F206 HydrophobicContact CG-CE2 3.5Å; K26-F206 HydrophobicContact CG-CG 4.45Å; K26-F206 HydrophobicContact CG-CZ 3.69Å; W28-F206 HydrophobicContact CZ2-CE2 4.5Å; W28-F206 AromaticContact NE1-CE2 3.53Å; A202-F206 WeakPolarHBondContact O-CB 3.41Å; A202-F206 PolarHBondContact O-N 3.36Å; E203-F206 PolarHBondContact O-N 3.42Å; T204-F206 VanDerWaalsContact C-N 3.32Å; T204-F206 PolarHBondContact O-N 2.66Å; F206-W208 PolarHBondContact O-N 3.09Å; F206-A209 PolarHBondContact O-N 3.19Å; F206-T210 HydrophobicContact CE1-CG2 4.12Å; F206-T210 HydrophobicContact CE2-CG2 4.22Å; F206-T210 HydrophobicContact CZ-CG2 3.93Å; F206-T210 WeakPolarHBondContact O-CG2 3.46Å; F206-T210 PolarHBondContact O-N 2.82Å; F206-T210 PolarHBondContact O-OG1 2.92Å
207S98.3Very high97.6Very high30 Ų3044.6 Ų44.621%0.2126%0.261CS..Hα-helixtrans-56.6-51.5173.9-171.30000110.7E203 T204 A209 T210 G211 A212E203-S207 PolarHBondContact O-N 2.94Å; T204-S207 WeakPolarHBondContact O-CB 3.5Å; T204-S207 PolarHBondContact O-N 2.74Å; S207-A209 PolarHBondContact O-N 2.87Å; S207-T210 CarbonylContact O-C 3.6Å; S207-T210 PolarHBondContact O-N 3.49Å; S207-T210 PolarHBondContact O-OG1 3Å; S207-G211 PolarHBondContact O-N 3.34Å; S207-G211 VanDerWaalsContact O-N 3.1Å; S207-A212 CarbonylContact C-O 3.58Å; S207-A212 PolarHBondContact O-N 2.92Å; S207-A212 VanDerWaalsContact O-O 3.11Å; S207-A212 VanDerWaalsContact OG-CB 3.31Å; S207-A212 WeakPolarHBondContact OG-CB 3.36Å; S207-A212 PolarHBondContact OG-O 3.44Å
208W98.4Very high97.6Very high11 Ų1143.3 Ų43.34%0.04226%0.255CS..Hα-helixtrans-61.8-43.7178.1-63.3-9.4000111.8L124 T126 V171 I173 T204 F205 F206 T210 G211 D213 R214 P215 M221L124-W208 HydrophobicContact CD1-CB 4.45Å; L124-W208 HydrophobicContact CD2-CB 3.58Å; T126-W208 HydrophobicContact CG2-CE3 4.27Å; V171-W208 HydrophobicContact CB-CZ3 4.39Å; V171-W208 HydrophobicContact CG1-CE3 4.44Å; V171-W208 HydrophobicContact CG1-CH2 3.95Å; V171-W208 HydrophobicContact CG1-CZ3 3.7Å; I173-W208 HydrophobicContact CG2-CH2 3.89Å; I173-W208 HydrophobicContact CG2-CZ3 3.91Å; T204-W208 HydrophobicContact CG2-CD2 3.88Å; T204-W208 HydrophobicContact CG2-CE3 4.31Å; T204-W208 HydrophobicContact CG2-CH2 3.82Å; T204-W208 HydrophobicContact CG2-CZ2 3.34Å; T204-W208 HydrophobicContact CG2-CZ3 4.28Å; T204-W208 VanDerWaalsContact O-CG 3.28Å; T204-W208 PolarHBondContact O-N 3.46Å; F205-W208 AromaticContact CD1-CE3 3.83Å; F205-W208 HydrophobicContact CD1-CE3 3.83Å; F205-W208 AromaticContact CD1-CZ3 3.91Å; F205-W208 HydrophobicContact CD1-CZ3 3.91Å; F205-W208 HydrophobicContact CE1-CE3 4.14Å; F205-W208 AromaticContact CE1-CZ3 3.77Å; F205-W208 HydrophobicContact CE1-CZ3 3.77Å; F206-W208 PolarHBondContact O-N 3.09Å; W208-T210 PolarHBondContact O-N 3.22Å; W208-G211 PolarHBondContact O-N 3.38Å; W208-D213 VanDerWaalsContact CD1-O 3.22Å; W208-D213 PolarHBondContact NE1-O 3.21Å; W208-R214 HydrophobicContact CB-CG 4.34Å; W208-R214 PolarHBondContact O-NE 3.4Å; W208-R214 PolarHBondContact O-NH2 2.99Å; W208-P215 HydrophobicContact CD2-CG 4.46Å; W208-P215 VanDerWaalsContact CE2-CD 3.49Å; W208-P215 HydrophobicContact CH2-CG 4.2Å; W208-P215 HydrophobicContact CZ2-CG 3.69Å; W208-M221 HydrophobicContact CH2-CB 4.17Å; W208-M221 HydrophobicContact CH2-CG 3.95Å; W208-M221 HydrophobicContact CZ2-CG 4.38Å
209A98.2Very high97.6Very high10 Ų1043.8 Ų43.88%0.08326%0.259CS..Hα-helixtrans-62.8-30-179.700000112.4F23 W28 A75 L124 F205 F206 S207 R214F23-A209 HydrophobicContact CE1-CB 4.04Å; F23-A209 HydrophobicContact CZ-CB 4.19Å; W28-A209 HydrophobicContact CH2-CB 3.82Å; W28-A209 HydrophobicContact CZ3-CB 4.36Å; A75-A209 HydrophobicContact CB-CB 4.04Å; L124-A209 HydrophobicContact CD2-CB 4.16Å; F205-A209 WeakPolarHBondContact O-CB 3.49Å; F205-A209 PolarHBondContact O-N 3.38Å; F206-A209 PolarHBondContact O-N 3.19Å; S207-A209 PolarHBondContact O-N 2.87Å; A209-R214 PolarHBondContact O-NH2 3.23Å
210T97.2Very high97.6Very high77 Ų7740.3 Ų40.347%0.47224%0.243SC..Hα-helixtrans-88.9-1175.254.70000114W28 F206 S207 W208W28-T210 HydrophobicContact CZ2-CG2 3.96Å; F206-T210 HydrophobicContact CE1-CG2 4.12Å; F206-T210 HydrophobicContact CE2-CG2 4.22Å; F206-T210 HydrophobicContact CZ-CG2 3.93Å; F206-T210 WeakPolarHBondContact O-CG2 3.46Å; F206-T210 PolarHBondContact O-N 2.82Å; F206-T210 PolarHBondContact O-OG1 2.92Å; S207-T210 CarbonylContact O-C 3.6Å; S207-T210 PolarHBondContact O-N 3.49Å; S207-T210 PolarHBondContact O-OG1 3Å; W208-T210 PolarHBondContact O-N 3.22Å
211G94.5Very high97.6Very high44 Ų4438 Ų3845%0.45424%0.235SC..THydrogen-bonded Turntrans92.8-1.6174.800000114.9S207 W208S207-G211 PolarHBondContact O-N 3.34Å; S207-G211 VanDerWaalsContact O-N 3.1Å; W208-G211 PolarHBondContact O-N 3.38Å
212A95.8Very high97.6Very high43 Ų4339.6 Ų39.636%0.35524%0.242SC..THydrogen-bonded Turntrans-83.6133.1177.700000111.4S207 R214S207-A212 CarbonylContact C-O 3.58Å; S207-A212 PolarHBondContact O-N 2.92Å; S207-A212 VanDerWaalsContact O-O 3.11Å; S207-A212 VanDerWaalsContact OG-CB 3.31Å; S207-A212 WeakPolarHBondContact OG-CB 3.36Å; S207-A212 PolarHBondContact OG-O 3.44Å; A212-R214 PolarHBondContact O-N 3.07Å; A212-R214 VanDerWaalsContact O-N 3.07Å
213D93.6Very high97.6Very high147 Ų14739.7 Ų39.779%0.78624%0.243SC*.THydrogen-bonded Turntrans51.231.8177.5-56.4-43.3000114.1W208 P215W208-D213 VanDerWaalsContact CD1-O 3.22Å; W208-D213 PolarHBondContact NE1-O 3.21Å; D213-P215 WeakPolarHBondContact O-CD 3.3Å
214R95.3Very high97.4Very high65 Ų6536.8 Ų36.825%0.24523%0.233CC..PPolyproline II helixtrans-74.8126.3-176.5-169.2-174.2-68.7178-4110.5G122 V169 W208 A209 A212G122-R214 PolarHBondContact O-NH1 2.96Å; V169-R214 HydrophobicContact CG1-CG 4.15Å; W208-R214 HydrophobicContact CB-CG 4.34Å; W208-R214 PolarHBondContact O-NE 3.4Å; W208-R214 PolarHBondContact O-NH2 2.99Å; A209-R214 PolarHBondContact O-NH2 3.23Å; A212-R214 PolarHBondContact O-N 3.07Å; A212-R214 VanDerWaalsContact O-N 3.07Å
215P97.3Very high97.4Very high21 Ų2136.1 Ų36.114%0.13623%0.229CC..PPolyproline II helixtrans-65.1164.3173.4-20.432.9000112.4V169 V171 W208 D213 M221V169-P215 WeakPolarHBondContact CG1-O 3.5Å; V171-P215 HydrophobicContact CG1-CG 4.28Å; V171-P215 HydrophobicContact CG2-CB 4.01Å; V171-P215 HydrophobicContact CG2-CG 4.31Å; W208-P215 HydrophobicContact CD2-CG 4.46Å; W208-P215 VanDerWaalsContact CE2-CD 3.49Å; W208-P215 HydrophobicContact CH2-CG 4.2Å; W208-P215 HydrophobicContact CZ2-CG 3.69Å; D213-P215 WeakPolarHBondContact O-CD 3.3Å; P215-M221 HydrophobicContact CB-CG 4.36Å; P215-M221 HydrophobicContact CB-SD 3.89Å; P215-M221 HydrophobicContact CG-CE 3.99Å; P215-M221 HydrophobicContact CG-CG 3.93Å; P215-M221 HydrophobicContact CG-SD 3.81Å
216A97.9Very high97.2Very high71 Ų7141.2 Ų41.259%0.58726%0.26SS*.PPolyproline II helixtrans-63.9150.8170.600000111.1G218 S219A216-G218 PolarHBondContact O-N 2.91Å; A216-S219 PolarHBondContact N-OG 2.78Å; A216-S219 VanDerWaalsContact O-CB 3.23Å; A216-S219 WeakPolarHBondContact O-CB 3.24Å; A216-S219 PolarHBondContact O-N 3.28Å; A216-S219 PolarHBondContact O-OG 2.87Å
217S98.6Very high96.9Very high41 Ų4142.6 Ų42.629%0.28729%0.285SS..THydrogen-bonded Turntrans-57.6139.8172.3-159.60000110.6A158 A170 S219A158-S217 VanDerWaalsContact CB-C 3.48Å; A170-S217 PolarHBondContact N-OG 2.92Å; A170-S217 CarbonylContact O-C 3.46Å; A170-S217 WeakPolarHBondContact O-CA 3.31Å; S217-S219 VanDerWaalsContact C-N 3.32Å
218G98.5Very high96.6Very high14 Ų1443.5 Ų43.514%0.14430%0.299CS..THydrogen-bonded Turntrans86.8-2.9-176.400000114.4A170 A216 L220A170-G218 PolarHBondContact O-N 3.38Å; A216-G218 PolarHBondContact O-N 2.91Å; G218-L220 PolarHBondContact O-N 3.46Å
219S98.6Very high96.4Very high24 Ų2450.8 Ų50.817%0.16833%0.332CS..EExtended strand (participates in β ladder)trans-65.7135-179.1-62.40000112.2A172 A216 S217A172-S219 PolarHBondContact N-O 3.49Å; A216-S219 PolarHBondContact N-OG 2.78Å; A216-S219 VanDerWaalsContact O-CB 3.23Å; A216-S219 WeakPolarHBondContact O-CB 3.24Å; A216-S219 PolarHBondContact O-N 3.28Å; A216-S219 PolarHBondContact O-OG 2.87Å; S217-S219 VanDerWaalsContact C-N 3.32Å
220L98.8Very high96.3Very high11 Ų1151.3 Ų51.36%0.05833%0.333CS..EExtended strand (participates in β ladder)trans-102.1105.6168.6-52.5-178.6000108.4L134 H151 C154 A172 L174 G218 P234 T235L134-L220 HydrophobicContact CD2-CD1 4.49Å; H151-L220 HydrophobicContact CB-CD1 3.96Å; H151-L220 HydrophobicContact CB-CD2 4.05Å; C154-L220 HydrophobicContact CB-CD2 4.01Å; A172-L220 HydrophobicContact CB-CD2 3.8Å; L174-L220 HydrophobicContact CD1-CB 3.85Å; L174-L220 HydrophobicContact CD1-CD2 4.34Å; L174-L220 HydrophobicContact CD2-CB 4.15Å; G218-L220 PolarHBondContact O-N 3.46Å; L220-P234 CarbonylContact O-C 3.36Å; L220-P234 WeakPolarHBondContact O-CA 3.32Å; L220-T235 HydrophobicContact CB-CG2 3.8Å; L220-T235 PolarHBondContact O-N 3.28Å
221M98.4Very high96.2Very high15 Ų1553.4 Ų53.47%0.07434%0.338CS..EExtended strand (participates in β ladder)trans-98104-171.5-60-56.6-64.700111.1V171 A172 I173 L174 W208 P215 A232 L233 P234V171-M221 HydrophobicContact CG1-CB 4.41Å; V171-M221 HydrophobicContact CG1-CG 3.52Å; A172-M221 PolarHBondContact O-N 3.08Å; I173-M221 CarbonylContact C-O 3.54Å; I173-M221 WeakPolarHBondContact CA-O 3.43Å; L174-M221 PolarHBondContact N-O 2.92Å; W208-M221 HydrophobicContact CH2-CB 4.17Å; W208-M221 HydrophobicContact CH2-CG 3.95Å; W208-M221 HydrophobicContact CZ2-CG 4.38Å; P215-M221 HydrophobicContact CB-CG 4.36Å; P215-M221 HydrophobicContact CB-SD 3.89Å; P215-M221 HydrophobicContact CG-CE 3.99Å; P215-M221 HydrophobicContact CG-CG 3.93Å; P215-M221 HydrophobicContact CG-SD 3.81Å; M221-A232 HydrophobicContact CE-CB 4.35Å; M221-L233 CarbonylContact C-O 3.58Å; M221-P234 HydrophobicContact SD-CB 4.1Å
222Q98.3Very high96.2Very high35 Ų3552.7 Ų52.716%0.16433%0.328CS..EExtended strand (participates in β ladder)trans-70.2127.6176.1-58.8178.778.300110.6L134 L174 A232 L233 P234 T235L134-Q222 HydrophobicContact CD1-CG 4.3Å; L174-Q222 HydrophobicContact CB-CG 4.47Å; Q222-A232 WeakPolarHBondContact O-CA 3.25Å; Q222-L233 WeakPolarHBondContact CB-O 3.24Å; Q222-L233 PolarHBondContact N-O 3.09Å; Q222-L233 PolarHBondContact O-N 2.7Å; Q222-P234 PolarHBondContact NE2-O 3.14Å; Q222-T235 HydrophobicContact CG-CG2 3.75Å
223L97.3Very high96.1Very high2 Ų255 Ų551%0.0133%0.334CS..EExtended strand (participates in β ladder)trans-106.2109.2174.7-48.5-178.1000109.2I173 L174 P175 Y200 I201 T230 Q231 A232I173-L223 HydrophobicContact CB-CD1 3.98Å; I173-L223 HydrophobicContact CB-CG 4.3Å; I173-L223 HydrophobicContact CD1-CD1 4Å; I173-L223 HydrophobicContact CG2-CD1 4.25Å; L174-L223 PolarHBondContact O-N 3.39Å; P175-L223 HydrophobicContact CB-CD1 4.44Å; Y200-L223 HydrophobicContact CE1-CD2 4.46Å; I201-L223 HydrophobicContact CD1-CD1 3.76Å; I201-L223 HydrophobicContact CG1-CD1 3.79Å; L223-T230 HydrophobicContact CB-CG2 4.49Å; L223-Q231 WeakPolarHBondContact CA-O 3.12Å; L223-A232 HydrophobicContact CD2-CB 3.62Å
224T95.7Very high96.1Very high50 Ų5051.6 Ų51.631%0.30732%0.32SS..EExtended strand (participates in β ladder)trans-118.3133-179.9-51.70000109.5T230 Q231T224-T230 WeakPolarHBondContact O-CA 3.35Å; T224-Q231 PolarHBondContact N-O 3.25Å; T224-Q231 VanDerWaalsContact N-O 3.08Å; T224-Q231 PolarHBondContact O-N 3.27Å
225T97Very high95.8Very high6 Ų650.2 Ų50.24%0.03732%0.319CS..EExtended strand (participates in β ladder)trans-116.8131177.5-56.50000109.7S194 T196 K229 T230S194-T225 WeakPolarHBondContact CA-O 3.21Å; T196-T225 VanDerWaalsContact CA-OG1 3.32Å; T196-T225 WeakPolarHBondContact CA-OG1 3.44Å; T196-T225 PolarHBondContact OG1-OG1 3.06Å; T225-K229 WeakPolarHBondContact CA-O 3.32Å; T225-T230 WeakPolarHBondContact OG1-CB 3.25Å; T225-T230 PolarHBondContact OG1-OG1 2.68Å
226T95.3Very high94.1Very high108 Ų10861.7 Ų61.766%0.66337%0.371SS*.EExtended strand (participates in β ladder)trans-141.9124.3177.5-55.40000108.8G228 K229T226-G228 PolarHBondContact O-N 3.41Å; T226-K229 PolarHBondContact N-O 3.19Å; T226-K229 PolarHBondContact O-N 2.95Å; T226-K229 VanDerWaalsContact O-N 3.16Å
227G92.3Very high93.9Very high69 Ų6961.3 Ų61.371%0.71136%0.36SS*.THydrogen-bonded Turntrans57.536.4-175.800000113.1G193 K229G193-G227 PolarHBondContact O-N 3.11Å; G227-K229 VanDerWaalsContact C-N 3.27Å; G227-K229 PolarHBondContact O-N 2.98Å
228G91.2Very high93.6Very high49 Ų4962.3 Ų62.351%0.50536%0.364SS..THydrogen-bonded Turntrans76.13.1-179.700000115.6G193 T226G193-G228 PolarHBondContact O-N 3.22Å; T226-G228 PolarHBondContact O-N 3.41Å
229K95Very high93.3Very high165 Ų16565 Ų6572%0.71738%0.376SS*.EExtended strand (participates in β ladder)trans-104.6120.6177.1-64.5-175.9-178.6-179.70110.5T225 T226 G227T225-K229 WeakPolarHBondContact CA-O 3.32Å; T226-K229 PolarHBondContact N-O 3.19Å; T226-K229 PolarHBondContact O-N 2.95Å; T226-K229 VanDerWaalsContact O-N 3.16Å; G227-K229 VanDerWaalsContact C-N 3.27Å; G227-K229 PolarHBondContact O-N 2.98Å
230T96.4Very high93Very high20 Ų2067.4 Ų67.412%0.12339%0.388CS..EExtended strand (participates in β ladder)trans-94.3137.6177.4-50.60000111.3T196 P197 Y200 L223 T224 T225T196-T230 HydrophobicContact CG2-CG2 3.73Å; P197-T230 WeakPolarHBondContact CD-OG1 3.29Å; Y200-T230 HydrophobicContact CD1-CG2 3.56Å; Y200-T230 HydrophobicContact CD2-CG2 4.41Å; Y200-T230 HydrophobicContact CE1-CG2 3.38Å; Y200-T230 HydrophobicContact CE2-CG2 4.26Å; Y200-T230 HydrophobicContact CG-CG2 4.09Å; L223-T230 HydrophobicContact CB-CG2 4.49Å; T224-T230 WeakPolarHBondContact O-CA 3.35Å; T225-T230 WeakPolarHBondContact OG1-CB 3.25Å; T225-T230 PolarHBondContact OG1-OG1 2.68Å
231Q94.3Very high92.7Very high121 Ų12170.9 Ų70.957%0.56541%0.409SS*.EExtended strand (participates in β ladder)trans-122.5140.4169.7-63.5-178.22.400110.3L223 T224 L233L223-Q231 WeakPolarHBondContact CA-O 3.12Å; T224-Q231 PolarHBondContact N-O 3.25Å; T224-Q231 VanDerWaalsContact N-O 3.08Å; T224-Q231 PolarHBondContact O-N 3.27Å; Q231-L233 HydrophobicContact CB-CG 4.46Å
232A94.9Very high92.3Very high30 Ų3074.7 Ų74.725%0.24843%0.431CS..EExtended strand (participates in β ladder)trans-104.9113.7170.400000109.1Y200 M221 Q222 L223Y200-A232 PolarHBondContact OH-N 3.41Å; M221-A232 HydrophobicContact CE-CB 4.35Å; Q222-A232 WeakPolarHBondContact O-CA 3.25Å; L223-A232 HydrophobicContact CD2-CB 3.62Å
233L94.1Very high91.9Very high90 Ų9077.5 Ų77.547%0.47145%0.45SS..EExtended strand (participates in β ladder)trans-127.5138.3-178.4-63173.8000110M221 Q222 Q231M221-L233 CarbonylContact C-O 3.58Å; Q222-L233 WeakPolarHBondContact CB-O 3.24Å; Q222-L233 PolarHBondContact N-O 3.09Å; Q222-L233 PolarHBondContact O-N 2.7Å; Q231-L233 HydrophobicContact CB-CG 4.46Å
234P92.9Very high91.5Very high76 Ų7683.3 Ų83.349%0.49448%0.484SS..EExtended strand (participates in β ladder)trans-62152.2173.527.8-33.5000110.7L220 M221 Q222L220-P234 CarbonylContact O-C 3.36Å; L220-P234 WeakPolarHBondContact O-CA 3.32Å; M221-P234 HydrophobicContact SD-CB 4.1Å; Q222-P234 PolarHBondContact NE2-O 3.14Å
235T88.6Confident91.1Very high37 Ų3786.1 Ų86.123%0.22750%0.499CS..  trans-63.7138162.655.70000109.4L134 L174 L220 Q222L134-T235 HydrophobicContact CD1-CG2 3.72Å; L134-T235 HydrophobicContact CD2-CG2 3.88Å; L134-T235 HydrophobicContact CG-CG2 4.46Å; L174-T235 HydrophobicContact CD2-CG2 4.2Å; L220-T235 HydrophobicContact CB-CG2 3.8Å; L220-T235 PolarHBondContact O-N 3.28Å; Q222-T235 HydrophobicContact CG-CG2 3.75Å
236Q61.2Low90.6Very high262 Ų26293.4 Ų93.4100%1.22454%0.541SS*.  trans-70.10168.3-67.1-173.5-0.500110.6

Retrieved 236 of 236 residues in 1545.3 ms (Link to these results)

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