A0A077ZGT7_TRITR Loading...

ABC tran and ABC tran 2 domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZGT7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 430 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
1M51.9Low77.4Confident208 Ų208132.3 Ų132.3100%1.02564%0.635SS**  0-43.30-123.7170.3179.400112.9R3 S4 T5M1-R3 PolarHBondContact O-N 3.45Å; M1-S4 PolarHBondContact O-N 2.94Å; M1-S4 PolarHBondContact O-OG 3.45Å; M1-T5 PolarHBondContact O-OG1 3.21Å
2F56.5Low78.7Confident178 Ų178128.6 Ų128.678%0.78162%0.62SS**Hα-helixtrans-59.8-41.9-179.9-72.8-82.5000115.3S4 T5 D6F2-S4 VanDerWaalsContact C-N 3.26Å; F2-S4 PolarHBondContact O-N 2.87Å; F2-S4 VanDerWaalsContact O-N 3.16Å; F2-T5 PolarHBondContact O-N 3.34Å; F2-D6 PolarHBondContact O-N 3.44Å
3R60.8Low79.8Confident217 Ų217126.8 Ų126.882%0.81961%0.61SS**Hα-helixtrans-62.7-23.6-179.4-75.8-173.3176.1-179.8-1.2115.5M1M1-R3 PolarHBondContact O-N 3.45Å
4S71.2Confident80.7Confident66 Ų66123.4 Ų123.446%0.46259%0.594SS.*Hα-helixtrans-79.8-34.6178.651.90000111.9M1 F2 L8M1-S4 PolarHBondContact O-N 2.94Å; M1-S4 PolarHBondContact O-OG 3.45Å; F2-S4 VanDerWaalsContact C-N 3.26Å; F2-S4 PolarHBondContact O-N 2.87Å; F2-S4 VanDerWaalsContact O-N 3.16Å; S4-L8 WeakPolarHBondContact O-CG 3.25Å; S4-L8 PolarHBondContact O-N 2.97Å
5T76.5Confident81.5Confident86 Ų86119.6 Ų119.653%0.52858%0.577SS.*Hα-helixtrans-66.8-42.3178-38.50000110.8M1 F2 R7 L8 S9M1-T5 PolarHBondContact O-OG1 3.21Å; F2-T5 PolarHBondContact O-N 3.34Å; T5-R7 PolarHBondContact O-N 2.99Å; T5-L8 PolarHBondContact O-N 2.71Å; T5-S9 PolarHBondContact O-N 3.14Å
6D84.3Confident82.1Confident97 Ų97120.7 Ų120.752%0.51957%0.574SS.*Hα-helixtrans-61-46.3178-62.6-22.1000111.5F2 L8 S9 V10F2-D6 PolarHBondContact O-N 3.44Å; D6-L8 VanDerWaalsContact C-N 3.35Å; D6-L8 PolarHBondContact O-N 3.45Å; D6-S9 PolarHBondContact O-N 3.38Å; D6-S9 PolarHBondContact O-OG 3.48Å; D6-V10 WeakPolarHBondContact O-CG2 3.29Å; D6-V10 PolarHBondContact O-N 2.7Å
7R86Confident82.7Confident205 Ų205119.8 Ų119.877%0.77457%0.569SS**Hα-helixtrans-61-40.6176.7-77.3-173.9178.1-175.2-1.6113.1T5 S9 R11T5-R7 PolarHBondContact O-N 2.99Å; R7-S9 VanDerWaalsContact C-N 3.35Å; R7-R11 WeakPolarHBondContact O-CB 3.34Å; R7-R11 PolarHBondContact O-N 2.83Å
8L89.7Confident83.2Confident124 Ų124119.6 Ų119.665%0.64957%0.568SS**Hα-helixtrans-66.7-38.7177.3-73.2168.6000111.4S4 T5 D6 R11 L12S4-L8 WeakPolarHBondContact O-CG 3.25Å; S4-L8 PolarHBondContact O-N 2.97Å; T5-L8 PolarHBondContact O-N 2.71Å; D6-L8 VanDerWaalsContact C-N 3.35Å; D6-L8 PolarHBondContact O-N 3.45Å; L8-R11 PolarHBondContact O-N 3.45Å; L8-L12 VanDerWaalsContact O-CB 3.26Å; L8-L12 WeakPolarHBondContact O-CB 3.49Å; L8-L12 PolarHBondContact O-N 2.75Å
9S90.5Very high83.5Confident64 Ų64117 Ų11745%0.44856%0.557SS.*Hα-helixtrans-65.4-42.2177.271.80000112.5T5 D6 R7 L12 Q13T5-S9 PolarHBondContact O-N 3.14Å; D6-S9 PolarHBondContact O-N 3.38Å; D6-S9 PolarHBondContact O-OG 3.48Å; R7-S9 VanDerWaalsContact C-N 3.35Å; S9-L12 PolarHBondContact O-N 2.98Å; S9-Q13 WeakPolarHBondContact O-CB 3.38Å; S9-Q13 PolarHBondContact O-N 2.89Å
10V91.8Very high83.7Confident83 Ų83119 Ų11950%0.50357%0.566SS.*Hα-helixtrans-63.5-46.9175.7173.20000110.2D6 L12 Q13 E14D6-V10 WeakPolarHBondContact O-CG2 3.29Å; D6-V10 PolarHBondContact O-N 2.7Å; V10-L12 VanDerWaalsContact C-N 3.32Å; V10-L12 PolarHBondContact O-N 3.46Å; V10-Q13 WeakPolarHBondContact O-CB 3.33Å; V10-Q13 PolarHBondContact O-N 2.91Å; V10-E14 WeakPolarHBondContact O-CG 3.28Å; V10-E14 PolarHBondContact O-N 3.13Å
11R92.3Very high83.8Confident127 Ų127117.2 Ų117.248%0.47957%0.571SS.*Hα-helixtrans-63.7-37.6178.5-175.856.2179.61657.9112.6R7 L8 Q13 E14 I15R7-R11 WeakPolarHBondContact O-CB 3.34Å; R7-R11 PolarHBondContact O-N 2.83Å; L8-R11 PolarHBondContact O-N 3.45Å; R11-Q13 VanDerWaalsContact C-N 3.35Å; R11-E14 VanDerWaalsContact CD-OE2 3.24Å; R11-E14 WeakPolarHBondContact CD-OE2 3.08Å; R11-E14 IonicContact CZ-OE2 2.65Å; R11-E14 IonicContact NE-OE2 3.48Å; R11-E14 IonicContact NH1-OE2 3.54Å; R11-E14 PolarHBondContact NH1-OE2 2.85Å; R11-I15 HydrophobicContact CG-CD1 4.15Å; R11-I15 WeakPolarHBondContact O-CD1 3.06Å; R11-I15 VanDerWaalsContact O-CG1 3.26Å; R11-I15 WeakPolarHBondContact O-CG1 3.39Å; R11-I15 PolarHBondContact O-N 3.18Å
12L92.7Very high85.3Confident88 Ų88112.5 Ų112.546%0.46155%0.549SS..Hα-helixtrans-65.7-40176.6-176.864.7000111.2L8 S9 V10 I15 Y16L8-L12 VanDerWaalsContact O-CB 3.26Å; L8-L12 WeakPolarHBondContact O-CB 3.49Å; L8-L12 PolarHBondContact O-N 2.75Å; S9-L12 PolarHBondContact O-N 2.98Å; V10-L12 VanDerWaalsContact C-N 3.32Å; V10-L12 PolarHBondContact O-N 3.46Å; L12-I15 PolarHBondContact O-N 2.86Å; L12-Y16 HydrophobicContact CD1-CD2 4.05Å; L12-Y16 HydrophobicContact CD1-CE2 3.57Å; L12-Y16 HydrophobicContact CD2-CE2 3.94Å; L12-Y16 HydrophobicContact CG-CD2 3.8Å; L12-Y16 HydrophobicContact CG-CE2 3.51Å; L12-Y16 WeakPolarHBondContact O-CD2 3.45Å; L12-Y16 PolarHBondContact O-N 3.23Å
13Q92.9Very high86.6Confident105 Ų105107.3 Ų107.349%0.49153%0.527SS..Hα-helixtrans-62.7-47.1175.2-176.762.628.300111.5S9 V10 R11 I15 Y16 E17S9-Q13 WeakPolarHBondContact O-CB 3.38Å; S9-Q13 PolarHBondContact O-N 2.89Å; V10-Q13 WeakPolarHBondContact O-CB 3.33Å; V10-Q13 PolarHBondContact O-N 2.91Å; R11-Q13 VanDerWaalsContact C-N 3.35Å; Q13-I15 VanDerWaalsContact C-N 3.28Å; Q13-I15 PolarHBondContact O-N 2.92Å; Q13-Y16 PolarHBondContact O-N 2.8Å; Q13-Y16 VanDerWaalsContact O-N 3.13Å; Q13-E17 WeakPolarHBondContact CG-OE1 3.45Å; Q13-E17 PolarHBondContact NE2-OE1 3.34Å; Q13-E17 WeakPolarHBondContact O-CG 3.29Å; Q13-E17 PolarHBondContact O-N 2.89Å
14E93.2Very high87.6Confident80 Ų8098.8 Ų98.837%0.37450%0.503SS..Hα-helixtrans-55-44.1173.8-69.8170.6-179.300111.5V10 R11 E17 E18V10-E14 WeakPolarHBondContact O-CG 3.28Å; V10-E14 PolarHBondContact O-N 3.13Å; R11-E14 VanDerWaalsContact CD-OE2 3.24Å; R11-E14 WeakPolarHBondContact CD-OE2 3.08Å; R11-E14 IonicContact CZ-OE2 2.65Å; R11-E14 IonicContact NE-OE2 3.48Å; R11-E14 IonicContact NH1-OE2 3.54Å; R11-E14 PolarHBondContact NH1-OE2 2.85Å; E14-E17 PolarHBondContact O-N 3.3Å; E14-E18 WeakPolarHBondContact O-CG 3.46Å; E14-E18 PolarHBondContact O-N 2.88Å
15I92.4Very high88.2Confident66 Ų66101.8 Ų101.834%0.33851%0.514SS..Hα-helixtrans-64.7-42.7177.8-69.3165.7000111.1R11 L12 Q13 E17 E18 L19R11-I15 HydrophobicContact CG-CD1 4.15Å; R11-I15 WeakPolarHBondContact O-CD1 3.06Å; R11-I15 VanDerWaalsContact O-CG1 3.26Å; R11-I15 WeakPolarHBondContact O-CG1 3.39Å; R11-I15 PolarHBondContact O-N 3.18Å; L12-I15 PolarHBondContact O-N 2.86Å; Q13-I15 VanDerWaalsContact C-N 3.28Å; Q13-I15 PolarHBondContact O-N 2.92Å; I15-E17 VanDerWaalsContact C-N 3.34Å; I15-E18 PolarHBondContact O-N 3.48Å; I15-L19 HydrophobicContact CG2-CD1 3.84Å; I15-L19 HydrophobicContact CG2-CG 4.22Å; I15-L19 WeakPolarHBondContact O-CB 3.26Å; I15-L19 WeakPolarHBondContact O-CG 3.5Å; I15-L19 PolarHBondContact O-N 2.79Å
16Y91.7Very high88.7Confident137 Ų137102.4 Ų102.454%0.53751%0.509SS..Hα-helixtrans-65-37.9177-82.4-61.8000112.3L12 Q13 L19 Q20L12-Y16 HydrophobicContact CD1-CD2 4.05Å; L12-Y16 HydrophobicContact CD1-CE2 3.57Å; L12-Y16 HydrophobicContact CD2-CE2 3.94Å; L12-Y16 HydrophobicContact CG-CD2 3.8Å; L12-Y16 HydrophobicContact CG-CE2 3.51Å; L12-Y16 WeakPolarHBondContact O-CD2 3.45Å; L12-Y16 PolarHBondContact O-N 3.23Å; Q13-Y16 PolarHBondContact O-N 2.8Å; Q13-Y16 VanDerWaalsContact O-N 3.13Å; Y16-L19 HydrophobicContact CD1-CD1 4.47Å; Y16-L19 PolarHBondContact O-N 2.93Å; Y16-Q20 VanDerWaalsContact O-CB 3.31Å; Y16-Q20 WeakPolarHBondContact O-CB 3.38Å; Y16-Q20 PolarHBondContact O-N 3.06Å
17E92.2Very high88.9Confident106 Ų10698.9 Ų98.950%0.49549%0.494SS..Hα-helixtrans-64.7-44.8174.9-73.5171.5-16900111.4Q13 E14 I15 Q20 A21Q13-E17 WeakPolarHBondContact CG-OE1 3.45Å; Q13-E17 PolarHBondContact NE2-OE1 3.34Å; Q13-E17 WeakPolarHBondContact O-CG 3.29Å; Q13-E17 PolarHBondContact O-N 2.89Å; E14-E17 PolarHBondContact O-N 3.3Å; I15-E17 VanDerWaalsContact C-N 3.34Å; E17-Q20 PolarHBondContact O-N 2.87Å; E17-A21 WeakPolarHBondContact O-CB 3.32Å; E17-A21 PolarHBondContact O-N 3.13Å
18E90.7Very high89Confident116 Ų11697.1 Ų97.154%0.54249%0.492SS..Hα-helixtrans-61.4-44.9173.1-75.3-179.6-172.800111.7E14 I15 Q20 A21 I22E14-E18 WeakPolarHBondContact O-CG 3.46Å; E14-E18 PolarHBondContact O-N 2.88Å; I15-E18 PolarHBondContact O-N 3.48Å; E18-Q20 VanDerWaalsContact C-N 3.33Å; E18-Q20 PolarHBondContact O-N 2.77Å; E18-A21 PolarHBondContact O-N 2.95Å; E18-I22 WeakPolarHBondContact O-CG1 3.44Å; E18-I22 PolarHBondContact O-N 2.89Å
19L88.8Confident89.1Confident70 Ų7094.4 Ų94.437%0.36649%0.488SS..Hα-helixtrans-62.4-39.3177.7-75.1172.8000112.3I15 Y16 I22 E23 A24I15-L19 HydrophobicContact CG2-CD1 3.84Å; I15-L19 HydrophobicContact CG2-CG 4.22Å; I15-L19 WeakPolarHBondContact O-CB 3.26Å; I15-L19 WeakPolarHBondContact O-CG 3.5Å; I15-L19 PolarHBondContact O-N 2.79Å; Y16-L19 HydrophobicContact CD1-CD1 4.47Å; Y16-L19 PolarHBondContact O-N 2.93Å; L19-I22 HydrophobicContact CD2-CD1 4.29Å; L19-I22 WeakPolarHBondContact O-CG1 3.42Å; L19-E23 PolarHBondContact O-N 3.38Å; L19-A24 HydrophobicContact CB-CB 4.01Å; L19-A24 HydrophobicContact CD2-CB 3.55Å; L19-A24 HydrophobicContact CG-CB 4.37Å; L19-A24 VanDerWaalsContact O-CB 3.31Å; L19-A24 WeakPolarHBondContact O-CB 3.37Å; L19-A24 PolarHBondContact O-N 3.31Å
20Q87.8Confident89.1Confident156 Ų15694.3 Ų94.373%0.72948%0.478SS*.Hα-helixtrans-69-41.3175.8-171.6176.1-000110.9Y16 E17 E18 I22 E23Y16-Q20 VanDerWaalsContact O-CB 3.31Å; Y16-Q20 WeakPolarHBondContact O-CB 3.38Å; Y16-Q20 PolarHBondContact O-N 3.06Å; E17-Q20 PolarHBondContact O-N 2.87Å; E18-Q20 VanDerWaalsContact C-N 3.33Å; E18-Q20 PolarHBondContact O-N 2.77Å; Q20-I22 VanDerWaalsContact C-N 3.32Å; Q20-I22 PolarHBondContact O-N 2.94Å; Q20-E23 PolarHBondContact O-N 3.23Å; Q20-E23 VanDerWaalsContact O-N 3.11Å
21A85.2Confident89.1Confident82 Ų8291.8 Ų91.868%0.67847%0.465SS*.Hα-helixtrans-62.6-36.217800000112.8E17 E18 E23E17-A21 WeakPolarHBondContact O-CB 3.32Å; E17-A21 PolarHBondContact O-N 3.13Å; E18-A21 PolarHBondContact O-N 2.95Å; A21-E23 VanDerWaalsContact C-N 3.3Å
22I83.3Confident89.2Confident109 Ų10986.8 Ų86.856%0.55945%0.451SS*.THydrogen-bonded Turntrans-86.32.1176.569.7179.3000113.8E18 L19 Q20 A24 R30E18-I22 WeakPolarHBondContact O-CG1 3.44Å; E18-I22 PolarHBondContact O-N 2.89Å; L19-I22 HydrophobicContact CD2-CD1 4.29Å; L19-I22 WeakPolarHBondContact O-CG1 3.42Å; Q20-I22 VanDerWaalsContact C-N 3.32Å; Q20-I22 PolarHBondContact O-N 2.94Å; I22-A24 VanDerWaalsContact C-N 3.35Å; I22-A24 HydrophobicContact CD1-CB 4.26Å; I22-A24 HydrophobicContact CG1-CB 4.01Å; I22-A24 PolarHBondContact O-N 2.93Å; I22-R30 PolarHBondContact O-NH2 3Å
23E84.1Confident89.1Confident70 Ų7084.5 Ų84.533%0.32745%0.449SS..THydrogen-bonded Turntrans49.952.7-172.8-54.2-170.4131.800112L19 Q20 A21 D25 K26 A27 R30L19-E23 PolarHBondContact O-N 3.38Å; Q20-E23 PolarHBondContact O-N 3.23Å; Q20-E23 VanDerWaalsContact O-N 3.11Å; A21-E23 VanDerWaalsContact C-N 3.3Å; E23-D25 PolarHBondContact O-N 3.33Å; E23-K26 HydrophobicContact CB-CB 4.26Å; E23-K26 HydrophobicContact CB-CD 4.31Å; E23-K26 HydrophobicContact CB-CG 4.48Å; E23-K26 PolarHBondContact O-N 2.99Å; E23-K26 VanDerWaalsContact O-N 3.12Å; E23-K26 IonicContact OE1-NZ 3.96Å; E23-K26 PolarHBondContact OE1-NZ 3Å; E23-A27 PolarHBondContact O-N 3.11Å; E23-A27 VanDerWaalsContact O-N 3.1Å; E23-R30 PolarHBondContact O-NH2 3.21Å; E23-R30 VanDerWaalsContact O-NH2 3.08Å; E23-R30 IonicContact OE2-NH1 3.27Å
24A81.7Confident89.2Confident37 Ų3780 Ų8031%0.30643%0.428SS..Hα-helixtrans-61.4-30.2-176.500000112.8L19 I22 A27L19-A24 HydrophobicContact CB-CB 4.01Å; L19-A24 HydrophobicContact CD2-CB 3.55Å; L19-A24 HydrophobicContact CG-CB 4.37Å; L19-A24 VanDerWaalsContact O-CB 3.31Å; L19-A24 WeakPolarHBondContact O-CB 3.37Å; L19-A24 PolarHBondContact O-N 3.31Å; I22-A24 VanDerWaalsContact C-N 3.35Å; I22-A24 HydrophobicContact CD1-CB 4.26Å; I22-A24 HydrophobicContact CG1-CB 4.01Å; I22-A24 PolarHBondContact O-N 2.93Å; A24-A27 WeakPolarHBondContact O-CB 3.43Å; A24-A27 PolarHBondContact O-N 3.36Å
25D84.1Confident89.2Confident129 Ų12977.9 Ų77.969%0.6942%0.419SS*.Hα-helixtrans-64-39.9174.264-41.1000112.2E23 A27E23-D25 PolarHBondContact O-N 3.33Å; D25-A27 VanDerWaalsContact C-N 3.33Å
26K87.9Confident89.2Confident99 Ų9978.5 Ų78.543%0.4342%0.42SS..Hα-helixtrans-82-10.8176.6-59.1-179.2-167164.80113.2E23 F28 A29 R30E23-K26 HydrophobicContact CB-CB 4.26Å; E23-K26 HydrophobicContact CB-CD 4.31Å; E23-K26 HydrophobicContact CB-CG 4.48Å; E23-K26 PolarHBondContact O-N 2.99Å; E23-K26 VanDerWaalsContact O-N 3.12Å; E23-K26 IonicContact OE1-NZ 3.96Å; E23-K26 PolarHBondContact OE1-NZ 3Å; K26-F28 VanDerWaalsContact C-N 3.32Å; K26-F28 PolarHBondContact O-N 3.32Å; K26-A29 PolarHBondContact O-N 2.84Å; K26-R30 WeakPolarHBondContact O-CB 3.41Å; K26-R30 WeakPolarHBondContact O-CG 3.08Å; K26-R30 PolarHBondContact O-N 3.49Å
27A88.2Confident89.2Confident24 Ų2472.4 Ų72.420%0.19840%0.398CS..Hα-helixtrans-54.9-45.7-176.300000112.4E23 A24 D25 R30 A31 F67E23-A27 PolarHBondContact O-N 3.11Å; E23-A27 VanDerWaalsContact O-N 3.1Å; A24-A27 WeakPolarHBondContact O-CB 3.43Å; A24-A27 PolarHBondContact O-N 3.36Å; D25-A27 VanDerWaalsContact C-N 3.33Å; A27-R30 PolarHBondContact O-N 2.85Å; A27-A31 VanDerWaalsContact O-CB 3.32Å; A27-A31 WeakPolarHBondContact O-CB 3.46Å; A27-A31 PolarHBondContact O-N 3.08Å; A27-F67 HydrophobicContact CB-CE2 4.37Å; A27-F67 HydrophobicContact CB-CZ 3.89Å; A27-F67 WeakPolarHBondContact O-CE2 3.42Å
28F88.6Confident89.2Confident168 Ų16867.4 Ų67.474%0.73738%0.375SS*.Hα-helixtrans-63.7-46.4-179.1-173.1-92.4000112K26 A31 A32K26-F28 VanDerWaalsContact C-N 3.32Å; K26-F28 PolarHBondContact O-N 3.32Å; F28-A31 PolarHBondContact O-N 2.84Å; F28-A32 VanDerWaalsContact O-CB 3.28Å; F28-A32 WeakPolarHBondContact O-CB 3.49Å; F28-A32 PolarHBondContact O-N 2.95Å
29A90.6Very high89.1Confident67 Ų6763.5 Ų63.555%0.55437%0.366SS*.Hα-helixtrans-63.7-42.1178.300000112K26 A32 G33K26-A29 PolarHBondContact O-N 2.84Å; A29-A32 PolarHBondContact O-N 3.43Å; A29-G33 PolarHBondContact O-N 3.39Å
30R90.5Very high89.2Confident62 Ų6260.3 Ų60.323%0.23435%0.349CS..Hα-helixtrans-61.9-47.6175.2-72.1-175.5-62.7173.9-1.2111.8I22 E23 K26 A27 A32 G33 I34 F67I22-R30 PolarHBondContact O-NH2 3Å; E23-R30 PolarHBondContact O-NH2 3.21Å; E23-R30 VanDerWaalsContact O-NH2 3.08Å; E23-R30 IonicContact OE2-NH1 3.27Å; K26-R30 WeakPolarHBondContact O-CB 3.41Å; K26-R30 WeakPolarHBondContact O-CG 3.08Å; K26-R30 PolarHBondContact O-N 3.49Å; A27-R30 PolarHBondContact O-N 2.85Å; R30-A32 VanDerWaalsContact C-N 3.35Å; R30-G33 PolarHBondContact O-N 3.35Å; R30-I34 WeakPolarHBondContact O-CG1 3.45Å; R30-I34 PolarHBondContact O-N 3.05Å; R30-F67 HydrophobicContact CB-CD2 4.44Å; R30-F67 HydrophobicContact CB-CE2 4.12Å
31A92.9Very high89.3Confident29 Ų2957.1 Ų57.124%0.2434%0.337CS..Hα-helixtrans-61.9-43.9177.600000111.4A27 F28 G33 I34 L35 F67A27-A31 VanDerWaalsContact O-CB 3.32Å; A27-A31 WeakPolarHBondContact O-CB 3.46Å; A27-A31 PolarHBondContact O-N 3.08Å; F28-A31 PolarHBondContact O-N 2.84Å; A31-G33 VanDerWaalsContact C-N 3.34Å; A31-G33 PolarHBondContact O-N 3.37Å; A31-I34 PolarHBondContact O-N 3.31Å; A31-L35 WeakPolarHBondContact O-CB 3.37Å; A31-L35 VanDerWaalsContact O-CG 3.29Å; A31-L35 WeakPolarHBondContact O-CG 3.21Å; A31-L35 PolarHBondContact O-N 2.71Å; A31-F67 HydrophobicContact CB-CD2 3.93Å; A31-F67 HydrophobicContact CB-CE2 3.92Å
32A92.9Very high89.4Confident23 Ų2357 Ų5719%0.1933%0.331CS..Hα-helixtrans-62.1-40.117700000112.2F28 A29 R30 F36 Q45F28-A32 VanDerWaalsContact O-CB 3.28Å; F28-A32 WeakPolarHBondContact O-CB 3.49Å; F28-A32 PolarHBondContact O-N 2.95Å; A29-A32 PolarHBondContact O-N 3.43Å; R30-A32 VanDerWaalsContact C-N 3.35Å; A32-F36 WeakPolarHBondContact O-CB 3.22Å; A32-F36 PolarHBondContact O-N 2.76Å; A32-Q45 PolarHBondContact O-NE2 3.21Å
33G92.1Very high89.7Confident40 Ų4057.6 Ų57.641%0.41233%0.331SS..Hα-helixtrans-64.9-45.1175.900000113.2A29 R30 A31 F36 G37A29-G33 PolarHBondContact O-N 3.39Å; R30-G33 PolarHBondContact O-N 3.35Å; A31-G33 VanDerWaalsContact C-N 3.34Å; A31-G33 PolarHBondContact O-N 3.37Å; G33-F36 PolarHBondContact O-N 2.97Å; G33-G37 PolarHBondContact O-N 2.79Å
34I93.8Very high90Very high9 Ų954.9 Ų54.95%0.04632%0.32CS..Hα-helixtrans-63.1-47.2175.8-66.7168.6000110.6R30 A31 F36 G37 L38 A63 L66 F67 W89 Y93R30-I34 WeakPolarHBondContact O-CG1 3.45Å; R30-I34 PolarHBondContact O-N 3.05Å; A31-I34 PolarHBondContact O-N 3.31Å; I34-F36 VanDerWaalsContact C-N 3.33Å; I34-F36 PolarHBondContact O-N 2.85Å; I34-G37 PolarHBondContact O-N 2.79Å; I34-L38 HydrophobicContact CG2-CD1 3.99Å; I34-L38 WeakPolarHBondContact O-CB 3.4Å; I34-L38 WeakPolarHBondContact O-CG 3.38Å; I34-L38 PolarHBondContact O-N 3.49Å; I34-A63 HydrophobicContact CG2-CB 3.88Å; I34-L66 HydrophobicContact CD1-CB 4.39Å; I34-L66 HydrophobicContact CG2-CB 4.19Å; I34-L66 HydrophobicContact CG2-CD1 4.21Å; I34-F67 HydrophobicContact CD1-CB 3.99Å; I34-F67 HydrophobicContact CD1-CD2 4.27Å; I34-W89 HydrophobicContact CB-CH2 4.37Å; I34-W89 HydrophobicContact CG2-CH2 4.12Å; I34-Y93 WeakPolarHBondContact CD1-OH 3.49Å; I34-Y93 HydrophobicContact CG1-CE2 4.15Å
35L94.4Very high90.5Very high36 Ų3655.7 Ų55.719%0.18832%0.318CS..Hα-helixtrans-61.3-43.8177.7-75.7169.8000111.1A31 G37 L38 G39 F40 Q45 A63A31-L35 WeakPolarHBondContact O-CB 3.37Å; A31-L35 VanDerWaalsContact O-CG 3.29Å; A31-L35 WeakPolarHBondContact O-CG 3.21Å; A31-L35 PolarHBondContact O-N 2.71Å; L35-G37 PolarHBondContact O-N 3.28Å; L35-L38 CarbonylContact O-C 3.57Å; L35-L38 WeakPolarHBondContact O-CA 3.44Å; L35-L38 PolarHBondContact O-N 3.01Å; L35-L38 VanDerWaalsContact O-N 3.13Å; L35-G39 PolarHBondContact O-N 3.27Å; L35-F40 HydrophobicContact CB-CB 4.05Å; L35-F40 HydrophobicContact CB-CD2 4.22Å; L35-F40 HydrophobicContact CB-CG 4.39Å; L35-F40 HydrophobicContact CD2-CD2 3.73Å; L35-F40 HydrophobicContact CD2-CE2 3.93Å; L35-F40 HydrophobicContact CD2-CG 4.2Å; L35-F40 WeakPolarHBondContact O-CB 3.34Å; L35-F40 VanDerWaalsContact O-CD2 3.29Å; L35-F40 WeakPolarHBondContact O-CD2 3.41Å; L35-F40 PolarHBondContact O-N 2.71Å; L35-Q45 HydrophobicContact CB-CG 4.06Å; L35-Q45 HydrophobicContact CD1-CG 4.18Å; L35-A63 HydrophobicContact CD2-CB 3.66Å; L35-A63 HydrophobicContact CG-CB 4.28Å
36F92.2Very high90.8Very high80 Ų8056.6 Ų56.635%0.35132%0.316SS..Hα-helixtrans-61.3-45.2177.7-175.1-93.1000112.3A32 G33 I34 L38 G39 F40 L429A32-F36 WeakPolarHBondContact O-CB 3.22Å; A32-F36 PolarHBondContact O-N 2.76Å; G33-F36 PolarHBondContact O-N 2.97Å; I34-F36 VanDerWaalsContact C-N 3.33Å; I34-F36 PolarHBondContact O-N 2.85Å; F36-L38 PolarHBondContact O-N 2.89Å; F36-G39 WeakPolarHBondContact O-CA 3.29Å; F36-G39 PolarHBondContact O-N 2.8Å; F36-F40 WeakPolarHBondContact CA-O 3.41Å; F36-L429 HydrophobicContact CE1-CB 3.98Å; F36-L429 HydrophobicContact CE1-CD1 3.81Å; F36-L429 HydrophobicContact CE1-CD2 3.44Å; F36-L429 VanDerWaalsContact CE1-CD2 3.44Å; F36-L429 HydrophobicContact CE1-CG 3.9Å; F36-L429 HydrophobicContact CZ-CD1 4.29Å; F36-L429 HydrophobicContact CZ-CD2 3.49Å; F36-L429 VanDerWaalsContact CZ-CD2 3.49Å; F36-L429 HydrophobicContact CZ-CG 4.36Å
37G90.6Very high91Very high9 Ų957.6 Ų57.69%0.09332%0.316CS..Hα-helixtrans-59.7-33.6173.100000114.1G33 I34 L35 G39 W89G33-G37 PolarHBondContact O-N 2.79Å; I34-G37 PolarHBondContact O-N 2.79Å; L35-G37 PolarHBondContact O-N 3.28Å; G37-G39 PolarHBondContact O-N 2.93Å; G37-W89 VanDerWaalsContact CA-CD2 3.43Å
38L92.4Very high91.2Very high0 Ų059.5 Ų59.50%033%0.327CS..THydrogen-bonded Turntrans-79.99.6172.8-66.6173.5000114.1I34 L35 F36 F40 R59 L62 A63 L66 T86 W89I34-L38 HydrophobicContact CG2-CD1 3.99Å; I34-L38 WeakPolarHBondContact O-CB 3.4Å; I34-L38 WeakPolarHBondContact O-CG 3.38Å; I34-L38 PolarHBondContact O-N 3.49Å; L35-L38 CarbonylContact O-C 3.57Å; L35-L38 WeakPolarHBondContact O-CA 3.44Å; L35-L38 PolarHBondContact O-N 3.01Å; L35-L38 VanDerWaalsContact O-N 3.13Å; F36-L38 PolarHBondContact O-N 2.89Å; L38-F40 HydrophobicContact CB-CD2 4.27Å; L38-F40 HydrophobicContact CB-CE2 4.4Å; L38-R59 VanDerWaalsContact O-CD 3.3Å; L38-R59 WeakPolarHBondContact O-CD 3.32Å; L38-R59 PolarHBondContact O-NH1 3.19Å; L38-L62 HydrophobicContact CD1-CB 4.47Å; L38-L62 HydrophobicContact CD1-CD2 4.44Å; L38-L62 HydrophobicContact CD1-CG 4.28Å; L38-L62 HydrophobicContact CD2-CD2 3.79Å; L38-L62 HydrophobicContact CD2-CG 4.46Å; L38-A63 HydrophobicContact CD1-CB 3.58Å; L38-L66 HydrophobicContact CD1-CD1 4.41Å; L38-T86 HydrophobicContact CB-CG2 4.48Å; L38-T86 HydrophobicContact CD2-CG2 3.92Å; L38-W89 HydrophobicContact CD2-CE3 4.02Å; L38-W89 HydrophobicContact CD2-CZ3 3.75Å; L38-W89 HydrophobicContact CG-CE3 4.26Å; L38-W89 HydrophobicContact CG-CH2 4.44Å; L38-W89 HydrophobicContact CG-CZ3 3.74Å
39G89.8Confident91.3Very high34 Ų3455.7 Ų55.735%0.35132%0.317SS..THydrogen-bonded Turntrans91.79.5173.500000115.4L35 F36 G37 W56L35-G39 PolarHBondContact O-N 3.27Å; F36-G39 WeakPolarHBondContact O-CA 3.29Å; F36-G39 PolarHBondContact O-N 2.8Å; G37-G39 PolarHBondContact O-N 2.93Å; G39-W56 WeakPolarHBondContact O-CH2 3.37Å
40F91.1Very high91.2Very high3 Ų360 Ų601%0.01332%0.324CS..  trans-87.9106.5175.7-65.2-92.6000111.5L35 F36 L38 S44 Q45 Y52 W56 R59 V60L35-F40 HydrophobicContact CB-CB 4.05Å; L35-F40 HydrophobicContact CB-CD2 4.22Å; L35-F40 HydrophobicContact CB-CG 4.39Å; L35-F40 HydrophobicContact CD2-CD2 3.73Å; L35-F40 HydrophobicContact CD2-CE2 3.93Å; L35-F40 HydrophobicContact CD2-CG 4.2Å; L35-F40 WeakPolarHBondContact O-CB 3.34Å; L35-F40 VanDerWaalsContact O-CD2 3.29Å; L35-F40 WeakPolarHBondContact O-CD2 3.41Å; L35-F40 PolarHBondContact O-N 2.71Å; F36-F40 WeakPolarHBondContact CA-O 3.41Å; L38-F40 HydrophobicContact CB-CD2 4.27Å; L38-F40 HydrophobicContact CB-CE2 4.4Å; F40-S44 WeakPolarHBondContact CA-OG 3.39Å; F40-S44 WeakPolarHBondContact CB-OG 3.45Å; F40-Q45 HydrophobicContact CB-CG 3.76Å; F40-Q45 PolarHBondContact O-NE2 2.79Å; F40-Y52 HydrophobicContact CD1-CE1 4.42Å; F40-Y52 HydrophobicContact CE1-CD1 4.43Å; F40-Y52 HydrophobicContact CE1-CD2 4.45Å; F40-Y52 HydrophobicContact CE1-CE1 4.03Å; F40-Y52 HydrophobicContact CE1-CE2 4.08Å; F40-Y52 AromaticContact CE1-CZ 3.87Å; F40-W56 AromaticContact CD1-CE3 3.98Å; F40-W56 HydrophobicContact CD1-CE3 3.98Å; F40-W56 AromaticContact CD1-CZ3 3.94Å; F40-W56 HydrophobicContact CD1-CZ3 3.94Å; F40-W56 HydrophobicContact CD2-CZ3 4.34Å; F40-W56 AromaticContact CE1-CE3 3.49Å; F40-W56 HydrophobicContact CE1-CE3 3.49Å; F40-W56 VanDerWaalsContact CE1-CE3 3.49Å; F40-W56 AromaticContact CE1-CZ3 3.94Å; F40-W56 HydrophobicContact CE1-CZ3 3.94Å; F40-W56 HydrophobicContact CE2-CE3 4.16Å; F40-W56 HydrophobicContact CE2-CZ3 4.34Å; F40-W56 HydrophobicContact CG-CE3 4.5Å; F40-W56 HydrophobicContact CG-CZ3 4.14Å; F40-W56 AromaticContact CZ-CE3 3.59Å; F40-W56 HydrophobicContact CZ-CE3 3.59Å; F40-W56 HydrophobicContact CZ-CZ3 4.14Å; F40-R59 HydrophobicContact CE2-CB 3.68Å; F40-R59 HydrophobicContact CZ-CB 4Å; F40-V60 HydrophobicContact CE1-CG2 3.91Å; F40-V60 HydrophobicContact CE2-CG2 4.18Å; F40-V60 HydrophobicContact CZ-CG2 3.4Å; F40-V60 VanDerWaalsContact CZ-CG2 3.4Å
41D88.6Confident91.1Very high89 Ų8961.9 Ų61.948%0.47634%0.335SS..  trans-63167168.971.736.2000112.8E43 S44 Q45D41-E43 PolarHBondContact O-N 3.5Å; D41-E43 PolarHBondContact OD1-N 2.86Å; D41-S44 PolarHBondContact N-OG 3.07Å; D41-S44 PolarHBondContact O-N 2.97Å; D41-S44 PolarHBondContact O-OG 3.48Å; D41-S44 VanDerWaalsContact OD1-CB 3.22Å; D41-S44 WeakPolarHBondContact OD1-CB 3.28Å; D41-S44 PolarHBondContact OD1-N 3.5Å; D41-S44 PolarHBondContact OD1-OG 3.29Å; D41-Q45 WeakPolarHBondContact O-CG 3.4Å; D41-Q45 PolarHBondContact O-N 3.44Å
42S88.7Confident90.9Very high79 Ų7961.5 Ų61.555%0.55233%0.328SS*.THydrogen-bonded Turntrans-60-28.1-175.8-52.90000114.8
43E89.2Confident90.3Very high122 Ų12263.8 Ų63.857%0.5734%0.342SS*.THydrogen-bonded Turntrans-81.3-39.7178-70.4-56.6116.100111D41 Q45 K46D41-E43 PolarHBondContact O-N 3.5Å; D41-E43 PolarHBondContact OD1-N 2.86Å; E43-Q45 VanDerWaalsContact C-N 3.31Å; E43-Q45 PolarHBondContact O-N 2.64Å; E43-K46 WeakPolarHBondContact O-CB 3.31Å; E43-K46 PolarHBondContact O-N 3.14Å; E43-K46 VanDerWaalsContact O-N 3.15Å; E43-K46 IonicContact OE1-NZ 2.84Å; E43-K46 PolarHBondContact OE1-NZ 3.03Å; E43-K46 IonicContact OE2-NZ 2.71Å
44S89.7Confident89.9Confident13 Ų1364.7 Ų64.79%0.09135%0.351CS..G310 helixtrans-61.5-39.3176.180.20000111.1F40 D41 K46 R47 Y52F40-S44 WeakPolarHBondContact CA-OG 3.39Å; F40-S44 WeakPolarHBondContact CB-OG 3.45Å; D41-S44 PolarHBondContact N-OG 3.07Å; D41-S44 PolarHBondContact O-N 2.97Å; D41-S44 PolarHBondContact O-OG 3.48Å; D41-S44 VanDerWaalsContact OD1-CB 3.22Å; D41-S44 WeakPolarHBondContact OD1-CB 3.28Å; D41-S44 PolarHBondContact OD1-N 3.5Å; D41-S44 PolarHBondContact OD1-OG 3.29Å; S44-K46 PolarHBondContact O-N 3.24Å; S44-K46 VanDerWaalsContact O-N 3.08Å; S44-R47 WeakPolarHBondContact O-CB 3.35Å; S44-R47 PolarHBondContact O-N 2.97Å; S44-Y52 WeakPolarHBondContact CA-OH 3.45Å; S44-Y52 WeakPolarHBondContact CB-OH 3.22Å; S44-Y52 PolarHBondContact O-OH 2.95Å
45Q92Very high89.3Confident54 Ų5465.2 Ų65.225%0.25236%0.36SS..G310 helixtrans-60-24.5177.4-69-179.52900113.4A32 L35 F40 D41 E43A32-Q45 PolarHBondContact O-NE2 3.21Å; L35-Q45 HydrophobicContact CB-CG 4.06Å; L35-Q45 HydrophobicContact CD1-CG 4.18Å; F40-Q45 HydrophobicContact CB-CG 3.76Å; F40-Q45 PolarHBondContact O-NE2 2.79Å; D41-Q45 WeakPolarHBondContact O-CG 3.4Å; D41-Q45 PolarHBondContact O-N 3.44Å; E43-Q45 VanDerWaalsContact C-N 3.31Å; E43-Q45 PolarHBondContact O-N 2.64Å
46K90.8Very high89Confident149 Ų14966.7 Ų66.765%0.64836%0.363SS*.G310 helixtrans-85.3-13.1178-59.1170-171.9163.60113.2E43 S44E43-K46 WeakPolarHBondContact O-CB 3.31Å; E43-K46 PolarHBondContact O-N 3.14Å; E43-K46 VanDerWaalsContact O-N 3.15Å; E43-K46 IonicContact OE1-NZ 2.84Å; E43-K46 PolarHBondContact OE1-NZ 3.03Å; E43-K46 IonicContact OE2-NZ 2.71Å; S44-K46 PolarHBondContact O-N 3.24Å; S44-K46 VanDerWaalsContact O-N 3.08Å
47R91.9Very high88.9Confident119 Ų11968.8 Ų68.845%0.44937%0.368SS..SBendtrans-77.7144-174.6-66179.565.3-164.6-3.6111.8S44 T49 E51 Y52S44-R47 WeakPolarHBondContact O-CB 3.35Å; S44-R47 PolarHBondContact O-N 2.97Å; R47-T49 PolarHBondContact O-N 2.94Å; R47-E51 IonicContact CZ-OE2 2.76Å; R47-E51 IonicContact NE-OE2 2.81Å; R47-E51 PolarHBondContact NE-OE2 2.78Å; R47-E51 VanDerWaalsContact NE-OE2 3.15Å; R47-E51 IonicContact NH2-OE2 3.43Å; R47-E51 PolarHBondContact NH2-OE2 3.06Å; R47-Y52 HydrophobicContact CB-CE2 4.21Å
48P92.5Very high88.8Confident64 Ų6474.4 Ų74.442%0.41639%0.394SS..  trans-58.1136.2174.6-24.333.9000112.7K50 E51P48-K50 HydrophobicContact CB-CG 4.04Å; P48-K50 PolarHBondContact O-N 3.3Å; P48-K50 VanDerWaalsContact O-N 3.07Å; P48-E51 HydrophobicContact CB-CG 4.47Å; P48-E51 WeakPolarHBondContact O-CB 3.48Å; P48-E51 PolarHBondContact O-N 3.24Å
49T89.8Confident88.8Confident88 Ų8874.7 Ų74.754%0.5440%0.395SS..G310 helixtrans-58.5-28.3-177.953.40000114R47 E51 Y52 R57 V60R47-T49 PolarHBondContact O-N 2.94Å; T49-E51 PolarHBondContact O-N 3.48Å; T49-Y52 PolarHBondContact O-N 3.36Å; T49-R57 PolarHBondContact O-NE 2.54Å; T49-V60 HydrophobicContact CG2-CG1 4.44Å
50K90.1Very high89Confident158 Ų15874.5 Ų74.569%0.68739%0.386SS*.G310 helixtrans-64.2-22.717768.2179.1-177.7179.60113.9P48 Y52 R57P48-K50 HydrophobicContact CB-CG 4.04Å; P48-K50 PolarHBondContact O-N 3.3Å; P48-K50 VanDerWaalsContact O-N 3.07Å; K50-Y52 VanDerWaalsContact C-N 3.32Å; K50-R57 PolarHBondContact O-NH2 3.15Å
51E88.6Confident89.1Confident102 Ų10276.4 Ų76.448%0.47740%0.403SS..G310 helixtrans-81.1-15.4179.2-65.8-178.5-160.500113R47 P48 T49R47-E51 IonicContact CZ-OE2 2.76Å; R47-E51 IonicContact NE-OE2 2.81Å; R47-E51 PolarHBondContact NE-OE2 2.78Å; R47-E51 VanDerWaalsContact NE-OE2 3.15Å; R47-E51 IonicContact NH2-OE2 3.43Å; R47-E51 PolarHBondContact NH2-OE2 3.06Å; P48-E51 HydrophobicContact CB-CG 4.47Å; P48-E51 WeakPolarHBondContact O-CB 3.48Å; P48-E51 PolarHBondContact O-N 3.24Å; T49-E51 PolarHBondContact O-N 3.48Å
52Y86.9Confident89.4Confident21 Ų2173 Ų738%0.08239%0.385CS..SBendtrans-77.7143.7176.5-73.2-63.8000111.8F40 S44 R47 T49 K50 W56 R57F40-Y52 HydrophobicContact CD1-CE1 4.42Å; F40-Y52 HydrophobicContact CE1-CD1 4.43Å; F40-Y52 HydrophobicContact CE1-CD2 4.45Å; F40-Y52 HydrophobicContact CE1-CE1 4.03Å; F40-Y52 HydrophobicContact CE1-CE2 4.08Å; F40-Y52 AromaticContact CE1-CZ 3.87Å; S44-Y52 WeakPolarHBondContact CA-OH 3.45Å; S44-Y52 WeakPolarHBondContact CB-OH 3.22Å; S44-Y52 PolarHBondContact O-OH 2.95Å; R47-Y52 HydrophobicContact CB-CE2 4.21Å; T49-Y52 PolarHBondContact O-N 3.36Å; K50-Y52 VanDerWaalsContact C-N 3.32Å; Y52-W56 HydrophobicContact CD1-CB 3.63Å; Y52-W56 HydrophobicContact CD1-CD2 4.21Å; Y52-W56 HydrophobicContact CD1-CE3 4.43Å; Y52-W56 AromaticContact CD1-CG 3.91Å; Y52-W56 HydrophobicContact CD1-CG 3.91Å; Y52-W56 HydrophobicContact CE1-CE3 4.41Å; Y52-W56 HydrophobicContact CG-CB 3.9Å; Y52-R57 PolarHBondContact O-NE 2.81Å; Y52-R57 PolarHBondContact O-NH2 3.39Å
53S82.4Confident89.7Confident70 Ų7069.5 Ų69.549%0.4936%0.361SS..  trans-61.4166.4166.674.10000111.6G55 W56 R57S53-G55 PolarHBondContact O-N 3.33Å; S53-W56 PolarHBondContact O-N 3.17Å; S53-W56 VanDerWaalsContact OG-CD1 3.31Å; S53-R57 WeakPolarHBondContact O-CG 3.47Å; S53-R57 PolarHBondContact O-N 3.17Å
54G82.7Confident89.9Confident59 Ų5972.2 Ų72.261%0.60837%0.366SS*.Hα-helixtrans-52.2-46.9178.500000114W56 R57 M58G54-W56 PolarHBondContact O-N 2.71Å; G54-R57 WeakPolarHBondContact O-CB 3.36Å; G54-R57 PolarHBondContact O-N 2.94Å; G54-M58 PolarHBondContact O-N 2.85Å
55G81.8Confident90.1Very high21 Ų2173.1 Ų73.122%0.21637%0.374CS..Hα-helixtrans-63-43.9179.600000113.2S53 R57 M58 R59S53-G55 PolarHBondContact O-N 3.33Å; G55-R57 VanDerWaalsContact C-N 3.33Å; G55-R57 PolarHBondContact O-N 3.13Å; G55-M58 WeakPolarHBondContact O-CB 3.49Å; G55-M58 PolarHBondContact O-N 2.9Å; G55-M58 VanDerWaalsContact O-N 3.14Å; G55-R59 PolarHBondContact O-N 3.02Å; G55-R59 VanDerWaalsContact O-N 3.08Å
56W88.1Confident90.3Very high67 Ų6770.5 Ų70.525%0.25436%0.362SS..Hα-helixtrans-63.8-37174.4-79.795.6000112.2G39 F40 Y52 S53 G54 M58 R59 V60G39-W56 WeakPolarHBondContact O-CH2 3.37Å; F40-W56 AromaticContact CD1-CE3 3.98Å; F40-W56 HydrophobicContact CD1-CE3 3.98Å; F40-W56 AromaticContact CD1-CZ3 3.94Å; F40-W56 HydrophobicContact CD1-CZ3 3.94Å; F40-W56 HydrophobicContact CD2-CZ3 4.34Å; F40-W56 AromaticContact CE1-CE3 3.49Å; F40-W56 HydrophobicContact CE1-CE3 3.49Å; F40-W56 VanDerWaalsContact CE1-CE3 3.49Å; F40-W56 AromaticContact CE1-CZ3 3.94Å; F40-W56 HydrophobicContact CE1-CZ3 3.94Å; F40-W56 HydrophobicContact CE2-CE3 4.16Å; F40-W56 HydrophobicContact CE2-CZ3 4.34Å; F40-W56 HydrophobicContact CG-CE3 4.5Å; F40-W56 HydrophobicContact CG-CZ3 4.14Å; F40-W56 AromaticContact CZ-CE3 3.59Å; F40-W56 HydrophobicContact CZ-CE3 3.59Å; F40-W56 HydrophobicContact CZ-CZ3 4.14Å; Y52-W56 HydrophobicContact CD1-CB 3.63Å; Y52-W56 HydrophobicContact CD1-CD2 4.21Å; Y52-W56 HydrophobicContact CD1-CE3 4.43Å; Y52-W56 AromaticContact CD1-CG 3.91Å; Y52-W56 HydrophobicContact CD1-CG 3.91Å; Y52-W56 HydrophobicContact CE1-CE3 4.41Å; Y52-W56 HydrophobicContact CG-CB 3.9Å; S53-W56 PolarHBondContact O-N 3.17Å; S53-W56 VanDerWaalsContact OG-CD1 3.31Å; G54-W56 PolarHBondContact O-N 2.71Å; W56-M58 VanDerWaalsContact C-N 3.31Å; W56-M58 PolarHBondContact O-N 3.47Å; W56-R59 WeakPolarHBondContact O-CB 3.36Å; W56-R59 PolarHBondContact O-N 3.03Å; W56-V60 PolarHBondContact O-N 3.15Å; W56-V60 VanDerWaalsContact O-N 3.14Å
57R90Very high90.4Very high123 Ų12366.8 Ų66.846%0.46435%0.346SS..Hα-helixtrans-65.7-34.8173.3-67.8179.8-170.1176.85.7112.2T49 K50 Y52 S53 G54 G55 R59 V60 A61T49-R57 PolarHBondContact O-NE 2.54Å; K50-R57 PolarHBondContact O-NH2 3.15Å; Y52-R57 PolarHBondContact O-NE 2.81Å; Y52-R57 PolarHBondContact O-NH2 3.39Å; S53-R57 WeakPolarHBondContact O-CG 3.47Å; S53-R57 PolarHBondContact O-N 3.17Å; G54-R57 WeakPolarHBondContact O-CB 3.36Å; G54-R57 PolarHBondContact O-N 2.94Å; G55-R57 VanDerWaalsContact C-N 3.33Å; G55-R57 PolarHBondContact O-N 3.13Å; R57-R59 VanDerWaalsContact C-N 3.32Å; R57-V60 WeakPolarHBondContact O-CB 3.46Å; R57-V60 PolarHBondContact O-N 3.42Å; R57-A61 PolarHBondContact O-N 2.89Å
58M88.4Confident90.3Very high128 Ų12866.1 Ų66.163%0.63135%0.354SS*.Hα-helixtrans-62.6-40172.9-168.861.88000111.2G54 G55 W56 V60 A61 L62G54-M58 PolarHBondContact O-N 2.85Å; G55-M58 WeakPolarHBondContact O-CB 3.49Å; G55-M58 PolarHBondContact O-N 2.9Å; G55-M58 VanDerWaalsContact O-N 3.14Å; W56-M58 VanDerWaalsContact C-N 3.31Å; W56-M58 PolarHBondContact O-N 3.47Å; M58-V60 VanDerWaalsContact C-N 3.31Å; M58-V60 PolarHBondContact O-N 2.97Å; M58-A61 CarbonylContact O-C 3.54Å; M58-A61 WeakPolarHBondContact O-CA 3.36Å; M58-A61 WeakPolarHBondContact O-CB 3.17Å; M58-A61 PolarHBondContact O-N 2.91Å; M58-A61 HydrophobicContact SD-CB 4.38Å; M58-L62 PolarHBondContact O-N 3.39Å
59R92.4Very high90.2Very high6 Ų669.3 Ų69.32%0.02336%0.358CS..Hα-helixtrans-61-38.1172.7-60.7-170.4-178.9-161-1.5112.7L38 F40 G55 W56 R57 A61 L62 A63 M81 L82 D83 T86 N250L38-R59 VanDerWaalsContact O-CD 3.3Å; L38-R59 WeakPolarHBondContact O-CD 3.32Å; L38-R59 PolarHBondContact O-NH1 3.19Å; F40-R59 HydrophobicContact CE2-CB 3.68Å; F40-R59 HydrophobicContact CZ-CB 4Å; G55-R59 PolarHBondContact O-N 3.02Å; G55-R59 VanDerWaalsContact O-N 3.08Å; W56-R59 WeakPolarHBondContact O-CB 3.36Å; W56-R59 PolarHBondContact O-N 3.03Å; R57-R59 VanDerWaalsContact C-N 3.32Å; R59-A61 VanDerWaalsContact C-N 3.33Å; R59-L62 PolarHBondContact O-N 3.47Å; R59-A63 WeakPolarHBondContact O-CB 3.48Å; R59-A63 PolarHBondContact O-N 3.31Å; R59-M81 PolarHBondContact NE-O 2.92Å; R59-M81 PolarHBondContact NH2-O 3.08Å; R59-L82 HydrophobicContact CG-CD2 3.74Å; R59-L82 VanDerWaalsContact NE-CD2 3.34Å; R59-D83 IonicContact NH2-OD2 3.69Å; R59-T86 PolarHBondContact NH1-OG1 3.43Å; R59-N250 PolarHBondContact NH2-ND2 2.99Å
60V92.9Very high90.4Very high29 Ų2966.8 Ų66.818%0.17634%0.343CS..Hα-helixtrans-64.3-39.1172.1-178.40000111.2F40 T49 W56 R57 M58 A63 R64F40-V60 HydrophobicContact CE1-CG2 3.91Å; F40-V60 HydrophobicContact CE2-CG2 4.18Å; F40-V60 HydrophobicContact CZ-CG2 3.4Å; F40-V60 VanDerWaalsContact CZ-CG2 3.4Å; T49-V60 HydrophobicContact CG2-CG1 4.44Å; W56-V60 PolarHBondContact O-N 3.15Å; W56-V60 VanDerWaalsContact O-N 3.14Å; R57-V60 WeakPolarHBondContact O-CB 3.46Å; R57-V60 PolarHBondContact O-N 3.42Å; M58-V60 VanDerWaalsContact C-N 3.31Å; M58-V60 PolarHBondContact O-N 2.97Å; V60-A63 WeakPolarHBondContact O-CB 3.36Å; V60-A63 PolarHBondContact O-N 3.38Å; V60-R64 VanDerWaalsContact O-CG 3.32Å; V60-R64 WeakPolarHBondContact O-CG 3.48Å; V60-R64 PolarHBondContact O-N 2.88Å
61A93.2Very high90.6Very high44 Ų4465.9 Ų65.936%0.36435%0.346SS..Hα-helixtrans-64.4-43.5176.300000111.8R57 M58 R59 R64 A65R57-A61 PolarHBondContact O-N 2.89Å; M58-A61 CarbonylContact O-C 3.54Å; M58-A61 WeakPolarHBondContact O-CA 3.36Å; M58-A61 WeakPolarHBondContact O-CB 3.17Å; M58-A61 PolarHBondContact O-N 2.91Å; M58-A61 HydrophobicContact SD-CB 4.38Å; R59-A61 VanDerWaalsContact C-N 3.33Å; A61-R64 WeakPolarHBondContact O-CB 3.29Å; A61-R64 PolarHBondContact O-N 3.4Å; A61-A65 PolarHBondContact O-N 3.41Å
62L95.1Very high91Very high17 Ų1765.4 Ų65.49%0.08935%0.346CS..Hα-helixtrans-59.5-47.7172179.460.1000111L38 M58 R59 R64 A65 L66 L75 P78 L82 L90L38-L62 HydrophobicContact CD1-CB 4.47Å; L38-L62 HydrophobicContact CD1-CD2 4.44Å; L38-L62 HydrophobicContact CD1-CG 4.28Å; L38-L62 HydrophobicContact CD2-CD2 3.79Å; L38-L62 HydrophobicContact CD2-CG 4.46Å; M58-L62 PolarHBondContact O-N 3.39Å; R59-L62 PolarHBondContact O-N 3.47Å; L62-R64 VanDerWaalsContact C-N 3.26Å; L62-R64 PolarHBondContact O-N 2.94Å; L62-A65 WeakPolarHBondContact O-CB 3.32Å; L62-A65 PolarHBondContact O-N 2.86Å; L62-L66 HydrophobicContact CD1-CD1 4.24Å; L62-L66 HydrophobicContact CD1-CD2 4.48Å; L62-L66 HydrophobicContact CD1-CG 4.14Å; L62-L66 HydrophobicContact CG-CD1 4.06Å; L62-L66 HydrophobicContact CG-CG 4.38Å; L62-L66 WeakPolarHBondContact O-CG 3.18Å; L62-L66 PolarHBondContact O-N 3.3Å; L62-L75 HydrophobicContact CD1-CD1 4.39Å; L62-L75 HydrophobicContact CD1-CD2 3.68Å; L62-P78 HydrophobicContact CD1-CB 4.38Å; L62-L82 HydrophobicContact CD2-CD1 4.49Å; L62-L90 HydrophobicContact CD2-CD1 4.24Å; L62-L90 HydrophobicContact CD2-CD2 4.1Å
63A94.7Very high91.5Very high6 Ų664.6 Ų64.65%0.0534%0.343CS..Hα-helixtrans-55-43.1176.700000111.9I34 L35 L38 R59 V60 L66 F67I34-A63 HydrophobicContact CG2-CB 3.88Å; L35-A63 HydrophobicContact CD2-CB 3.66Å; L35-A63 HydrophobicContact CG-CB 4.28Å; L38-A63 HydrophobicContact CD1-CB 3.58Å; R59-A63 WeakPolarHBondContact O-CB 3.48Å; R59-A63 PolarHBondContact O-N 3.31Å; V60-A63 WeakPolarHBondContact O-CB 3.36Å; V60-A63 PolarHBondContact O-N 3.38Å; A63-L66 PolarHBondContact O-N 3.1Å; A63-F67 WeakPolarHBondContact O-CB 3.17Å; A63-F67 PolarHBondContact O-N 3.12Å
64R94.3Very high92.1Very high179 Ų17966.9 Ų66.968%0.67535%0.349SS*.Hα-helixtrans-63.1-44.8176.2-72.8173.663-153.9-3.5111.8V60 A61 L62 F67 V68V60-R64 VanDerWaalsContact O-CG 3.32Å; V60-R64 WeakPolarHBondContact O-CG 3.48Å; V60-R64 PolarHBondContact O-N 2.88Å; A61-R64 WeakPolarHBondContact O-CB 3.29Å; A61-R64 PolarHBondContact O-N 3.4Å; L62-R64 VanDerWaalsContact C-N 3.26Å; L62-R64 PolarHBondContact O-N 2.94Å; R64-F67 PolarHBondContact O-N 3.29Å; R64-V68 VanDerWaalsContact O-CG2 3.28Å; R64-V68 WeakPolarHBondContact O-CG2 3.33Å; R64-V68 PolarHBondContact O-N 3.45Å; R64-V68 VanDerWaalsContact O-N 3.12Å
65A94.5Very high92.8Very high31 Ų3164.8 Ų64.826%0.25632%0.324SS..Hα-helixtrans-61.9-44.9178.500000111.6A61 L62 F67 V68 L73A61-A65 PolarHBondContact O-N 3.41Å; L62-A65 WeakPolarHBondContact O-CB 3.32Å; L62-A65 PolarHBondContact O-N 2.86Å; A65-F67 PolarHBondContact O-N 3.28Å; A65-V68 PolarHBondContact O-N 3.33Å; A65-L73 HydrophobicContact CB-CD1 4Å
66L94.7Very high93.3Very high0 Ų070 Ų700%035%0.347CS..Hα-helixtrans-65.9-36.5176.5-63.7177.3000112.6I34 L38 L62 A63 L73 W89 L90 Y93 L94 W97I34-L66 HydrophobicContact CD1-CB 4.39Å; I34-L66 HydrophobicContact CG2-CB 4.19Å; I34-L66 HydrophobicContact CG2-CD1 4.21Å; L38-L66 HydrophobicContact CD1-CD1 4.41Å; L62-L66 HydrophobicContact CD1-CD1 4.24Å; L62-L66 HydrophobicContact CD1-CD2 4.48Å; L62-L66 HydrophobicContact CD1-CG 4.14Å; L62-L66 HydrophobicContact CG-CD1 4.06Å; L62-L66 HydrophobicContact CG-CG 4.38Å; L62-L66 WeakPolarHBondContact O-CG 3.18Å; L62-L66 PolarHBondContact O-N 3.3Å; A63-L66 PolarHBondContact O-N 3.1Å; L66-L73 HydrophobicContact CD2-CD2 3.8Å; L66-W89 HydrophobicContact CD1-CH2 4.42Å; L66-W89 HydrophobicContact CD1-CZ3 4.22Å; L66-L90 HydrophobicContact CD1-CD1 3.88Å; L66-Y93 HydrophobicContact CB-CE1 4Å; L66-Y93 HydrophobicContact CD1-CD1 4.2Å; L66-Y93 HydrophobicContact CD1-CE1 4.19Å; L66-Y93 HydrophobicContact CD2-CD1 4.18Å; L66-Y93 HydrophobicContact CD2-CE1 4Å; L66-Y93 HydrophobicContact CG-CE1 4.28Å; L66-L94 HydrophobicContact CD2-CD2 3.89Å; L66-W97 HydrophobicContact CD2-CZ3 4.13Å
67F93.4Very high93.4Very high71 Ų7168 Ų6831%0.31134%0.341SS..Hα-helixtrans-67.7-37.7-179.9177.3-97.2000112.6A27 R30 A31 I34 A63 R64 A65 R69A27-F67 HydrophobicContact CB-CE2 4.37Å; A27-F67 HydrophobicContact CB-CZ 3.89Å; A27-F67 WeakPolarHBondContact O-CE2 3.42Å; R30-F67 HydrophobicContact CB-CD2 4.44Å; R30-F67 HydrophobicContact CB-CE2 4.12Å; A31-F67 HydrophobicContact CB-CD2 3.93Å; A31-F67 HydrophobicContact CB-CE2 3.92Å; I34-F67 HydrophobicContact CD1-CB 3.99Å; I34-F67 HydrophobicContact CD1-CD2 4.27Å; A63-F67 WeakPolarHBondContact O-CB 3.17Å; A63-F67 PolarHBondContact O-N 3.12Å; R64-F67 PolarHBondContact O-N 3.29Å; A65-F67 PolarHBondContact O-N 3.28Å; F67-R69 PolarHBondContact O-N 2.91Å
68V91Very high93.5Very high105 Ų10562.9 Ų62.964%0.63632%0.323SS*.Hα-helixtrans-65.3-27.1-178.6168.50000112.5R64 A65R64-V68 VanDerWaalsContact O-CG2 3.28Å; R64-V68 WeakPolarHBondContact O-CG2 3.33Å; R64-V68 PolarHBondContact O-N 3.45Å; R64-V68 VanDerWaalsContact O-N 3.12Å; A65-V68 PolarHBondContact O-N 3.33Å
69R89Confident93.5Very high130 Ų13056.9 Ų56.949%0.49129%0.294SS..  trans49.758.3-175.2-63.9-176.4172.9-175.2-4.5113.1F67 W97F67-R69 PolarHBondContact O-N 2.91Å; R69-W97 HydrophobicContact CB-CH2 4.37Å; R69-W97 HydrophobicContact CG-CH2 4.16Å; R69-W97 HydrophobicContact CG-CZ3 4.45Å
70P93.4Very high93.1Very high36 Ų3658.1 Ų58.123%0.23430%0.301CS..  trans-66.7159.8179.331.4-38.3000112.5L72 L73 W97 T99P70-L72 PolarHBondContact O-N 3.42Å; P70-L73 HydrophobicContact CG-CB 4Å; P70-L73 HydrophobicContact CG-CD1 4.04Å; P70-W97 HydrophobicContact CG-CZ2 4.5Å; P70-T99 PolarHBondContact O-OG1 3.4Å
71D95.4Very high92.4Very high139 Ų13959 Ų5974%0.74330%0.304SS*.SBendtrans-63.2-31.6172.4-57.3-70000112.6T99 I100D71-T99 WeakPolarHBondContact O-CB 3.36Å; D71-I100 PolarHBondContact O-N 2.95Å; D71-I100 VanDerWaalsContact O-N 3.15Å
72L96.8Very high92.1Very high91 Ų9157.1 Ų57.148%0.47629%0.287SS..EExtended strand (participates in β ladder)trans-129.2114173.5176.162.4000109P70 L74 I100P70-L72 PolarHBondContact O-N 3.42Å; L72-L74 HydrophobicContact CD1-CD2 3.84Å; L72-L74 HydrophobicContact CD2-CD2 4.02Å; L72-L74 HydrophobicContact CD2-CG 4.44Å; L72-L74 HydrophobicContact CG-CD2 3.81Å; L72-L74 HydrophobicContact CG-CG 4.22Å; L72-I100 WeakPolarHBondContact CA-O 3.41Å; L72-I100 HydrophobicContact CD1-CB 3.96Å; L72-I100 HydrophobicContact CD1-CG2 3.56Å
73L97Very high91.7Very high5 Ų556.8 Ų56.83%0.02629%0.286CS..EExtended strand (participates in β ladder)trans-99.9117.1173.4-178.359.4000109.5A65 L66 P70 L75 L94 W97 I100 L101 C102A65-L73 HydrophobicContact CB-CD1 4Å; L66-L73 HydrophobicContact CD2-CD2 3.8Å; P70-L73 HydrophobicContact CG-CB 4Å; P70-L73 HydrophobicContact CG-CD1 4.04Å; L73-L75 HydrophobicContact CD1-CD2 3.96Å; L73-L75 HydrophobicContact CD1-CG 4.43Å; L73-L75 HydrophobicContact CD2-CD1 4.22Å; L73-L75 HydrophobicContact CD2-CD2 4.38Å; L73-L75 HydrophobicContact CD2-CG 4.3Å; L73-L75 HydrophobicContact CG-CD1 4.48Å; L73-L75 HydrophobicContact CG-CD2 4.11Å; L73-L75 HydrophobicContact CG-CG 4.04Å; L73-L94 HydrophobicContact CD2-CD2 4.3Å; L73-W97 HydrophobicContact CB-CZ2 3.94Å; L73-W97 HydrophobicContact CD2-CD2 4.23Å; L73-W97 HydrophobicContact CD2-CH2 3.83Å; L73-W97 HydrophobicContact CD2-CZ2 3.52Å; L73-W97 HydrophobicContact CD2-CZ3 4.33Å; L73-W97 HydrophobicContact CG-CZ2 4.27Å; L73-I100 PolarHBondContact N-O 2.87Å; L73-L101 HydrophobicContact CB-CD1 4.12Å; L73-L101 HydrophobicContact CD2-CD1 3.88Å; L73-L101 HydrophobicContact CG-CD1 3.99Å; L73-C102 PolarHBondContact O-N 2.63Å
74L96.4Very high91.2Very high117 Ų11757.2 Ų57.261%0.61329%0.287SS*.EExtended strand (participates in β ladder)trans-102.8123.2173.6-55.5-177.1000109.1L72 C102L72-L74 HydrophobicContact CD1-CD2 3.84Å; L72-L74 HydrophobicContact CD2-CD2 4.02Å; L72-L74 HydrophobicContact CD2-CG 4.44Å; L72-L74 HydrophobicContact CG-CD2 3.81Å; L72-L74 HydrophobicContact CG-CG 4.22Å; L74-C102 WeakPolarHBondContact CA-O 3.24Å; L74-C102 HydrophobicContact CD2-CB 3.6Å
75L95.7Very high90.9Very high15 Ų1550.7 Ų50.78%0.07926%0.264CS..EExtended strand (participates in β ladder)trans-123124.4176.3-60.4179.7000109.6L62 L73 P78 L94 L101 C102 V103 V104L62-L75 HydrophobicContact CD1-CD1 4.39Å; L62-L75 HydrophobicContact CD1-CD2 3.68Å; L73-L75 HydrophobicContact CD1-CD2 3.96Å; L73-L75 HydrophobicContact CD1-CG 4.43Å; L73-L75 HydrophobicContact CD2-CD1 4.22Å; L73-L75 HydrophobicContact CD2-CD2 4.38Å; L73-L75 HydrophobicContact CD2-CG 4.3Å; L73-L75 HydrophobicContact CG-CD1 4.48Å; L73-L75 HydrophobicContact CG-CD2 4.11Å; L73-L75 HydrophobicContact CG-CG 4.04Å; L75-P78 HydrophobicContact CB-CB 4.09Å; L75-P78 HydrophobicContact CB-CG 3.93Å; L75-P78 HydrophobicContact CD1-CB 4.07Å; L75-P78 HydrophobicContact CD1-CG 4.11Å; L75-L94 HydrophobicContact CD1-CD1 4.02Å; L75-L94 HydrophobicContact CD1-CD2 4.31Å; L75-L101 HydrophobicContact CD1-CD1 3.99Å; L75-L101 HydrophobicContact CG-CD1 4.32Å; L75-C102 PolarHBondContact N-O 2.83Å; L75-V103 HydrophobicContact CB-CB 4.49Å; L75-V103 HydrophobicContact CB-CG1 4.08Å; L75-V103 HydrophobicContact CB-CG2 4.18Å; L75-V103 HydrophobicContact CD1-CG2 4.21Å; L75-V103 WeakPolarHBondContact O-CA 3Å; L75-V104 PolarHBondContact O-N 2.97Å
76D93.4Very high90.8Very high131 Ų13149.3 Ų49.370%0.70125%0.252SS*.EExtended strand (participates in β ladder)trans-108.5111174.2-171.114.8000108.7
77E90.3Very high90.6Very high26 Ų2649.7 Ų49.712%0.12125%0.254CS..SBendtrans46.559.9-175.7-64.8-64.5154.300114.5T79 N80 V104 S105 H106E77-T79 PolarHBondContact O-N 3.45Å; E77-N80 WeakPolarHBondContact CB-ND2 3.34Å; E77-N80 WeakPolarHBondContact O-CB 3.15Å; E77-N80 PolarHBondContact O-N 3.38Å; E77-V104 VanDerWaalsContact CA-O 3.3Å; E77-V104 WeakPolarHBondContact CA-O 3.4Å; E77-V104 PolarHBondContact N-O 3.08Å; E77-S105 VanDerWaalsContact OE1-C 3.22Å; E77-S105 WeakPolarHBondContact OE1-CA 3.32Å; E77-S105 WeakPolarHBondContact OE2-CA 3.44Å; E77-H106 IonicContact OE1-CD2 3.71Å; E77-H106 PolarHBondContact OE1-CD2 2.56Å; E77-H106 IonicContact OE1-CG 3.73Å; E77-H106 PolarHBondContact OE1-N 2.95Å; E77-H106 IonicContact OE1-NE2 3.41Å; E77-H106 PolarHBondContact OE2-N 3.35Å; E77-H106 VanDerWaalsContact OE2-N 3.12Å
78P92Very high90.5Very high14 Ų1446.6 Ų46.69%0.09124%0.241CC..THydrogen-bonded Turntrans-69.6-18.2-174.831.1-37000113.7L62 L75 N80 L82 L90 V103 V104 F110L62-P78 HydrophobicContact CD1-CB 4.38Å; L75-P78 HydrophobicContact CB-CB 4.09Å; L75-P78 HydrophobicContact CB-CG 3.93Å; L75-P78 HydrophobicContact CD1-CB 4.07Å; L75-P78 HydrophobicContact CD1-CG 4.11Å; P78-N80 VanDerWaalsContact C-N 3.33Å; P78-L82 WeakPolarHBondContact O-CD1 3.5Å; P78-L90 HydrophobicContact CB-CD2 3.99Å; P78-L90 HydrophobicContact CG-CD2 4.44Å; P78-V103 HydrophobicContact CG-CG1 3.7Å; P78-V104 WeakPolarHBondContact CD-O 3.15Å; P78-F110 HydrophobicContact CG-CE1 4.22Å; P78-F110 HydrophobicContact CG-CZ 4.01Å
79T88.6Confident90.6Very high2 Ų243.1 Ų43.11%0.01222%0.216CC..THydrogen-bonded Turntrans-78.2-16.8178.253.80000113E77 M81 L82 V87 S105 D107 F110E77-T79 PolarHBondContact O-N 3.45Å; T79-M81 PolarHBondContact O-N 2.87Å; T79-L82 VanDerWaalsContact O-CB 3.28Å; T79-L82 WeakPolarHBondContact O-CB 3.44Å; T79-L82 PolarHBondContact O-N 2.91Å; T79-V87 HydrophobicContact CG2-CG1 4.14Å; T79-V87 HydrophobicContact CG2-CG2 4.41Å; T79-S105 PolarHBondContact OG1-OG 3.22Å; T79-D107 HydrophobicContact CG2-CB 4.3Å; T79-F110 HydrophobicContact CG2-CB 3.97Å; T79-F110 HydrophobicContact CG2-CD1 4.07Å; T79-F110 HydrophobicContact CG2-CD2 3.45Å; T79-F110 VanDerWaalsContact CG2-CD2 3.45Å; T79-F110 HydrophobicContact CG2-CE2 3.93Å; T79-F110 HydrophobicContact CG2-CG 3.54Å; T79-F110 HydrophobicContact CG2-CZ 4.43Å
80N83.2Confident90.8Very high33 Ų3337 Ų3718%0.17619%0.193CC..THydrogen-bonded Turntrans-57.2134.3179.3-84.7-24000111.6E77 P78 L82E77-N80 WeakPolarHBondContact CB-ND2 3.34Å; E77-N80 WeakPolarHBondContact O-CB 3.15Å; E77-N80 PolarHBondContact O-N 3.38Å; P78-N80 VanDerWaalsContact C-N 3.33Å; N80-L82 PolarHBondContact O-N 2.69Å; N80-L82 VanDerWaalsContact O-N 3.14Å
81M78.3Confident90.9Very high48 Ų4835.8 Ų35.824%0.23618%0.184CC..THydrogen-bonded Turntrans63.211.4179.7-41.5-67.294.900114.1R59 T79 N250 Q285 N362R59-M81 PolarHBondContact NE-O 2.92Å; R59-M81 PolarHBondContact NH2-O 3.08Å; T79-M81 PolarHBondContact O-N 2.87Å; M81-N250 PolarHBondContact O-ND2 2.79Å; M81-Q285 PolarHBondContact SD-NE2 3.35Å; M81-N362 HydrophobicContact CE-CB 4.28Å; M81-N362 VanDerWaalsContact CE-CG 3.45Å; M81-N362 WeakPolarHBondContact CE-ND2 3.46Å; M81-N362 WeakPolarHBondContact CE-OD1 3.31Å
82L87Confident90.8Very high3 Ų332.9 Ų32.92%0.01617%0.169CC..  trans-88.6140.2169.9-57.6-167.7000109.4R59 L62 P78 T79 N80 T86 V87 L90R59-L82 HydrophobicContact CG-CD2 3.74Å; R59-L82 VanDerWaalsContact NE-CD2 3.34Å; L62-L82 HydrophobicContact CD2-CD1 4.49Å; P78-L82 WeakPolarHBondContact O-CD1 3.5Å; T79-L82 VanDerWaalsContact O-CB 3.28Å; T79-L82 WeakPolarHBondContact O-CB 3.44Å; T79-L82 PolarHBondContact O-N 2.91Å; N80-L82 PolarHBondContact O-N 2.69Å; N80-L82 VanDerWaalsContact O-N 3.14Å; L82-T86 HydrophobicContact CB-CG2 4.3Å; L82-T86 HydrophobicContact CD1-CG2 4.04Å; L82-T86 HydrophobicContact CD2-CG2 3.76Å; L82-T86 HydrophobicContact CG-CG2 4.25Å; L82-V87 HydrophobicContact CB-CG2 3.55Å; L82-V87 HydrophobicContact CD1-CG2 4.4Å; L82-L90 HydrophobicContact CD1-CD2 3.84Å
83D86.1Confident90.6Very high11 Ų1130.7 Ų30.76%0.05916%0.155CC..  trans-80.3164.2166.448.847.9000109.1R59 K85 T86 V87 N250R59-D83 IonicContact NH2-OD2 3.69Å; D83-K85 PolarHBondContact O-N 2.94Å; D83-K85 VanDerWaalsContact O-N 3.09Å; D83-K85 PolarHBondContact OD1-N 2.82Å; D83-T86 PolarHBondContact O-N 3.48Å; D83-T86 VanDerWaalsContact OD1-CB 3.26Å; D83-T86 WeakPolarHBondContact OD1-CB 3.28Å; D83-T86 PolarHBondContact OD1-N 2.92Å; D83-T86 PolarHBondContact OD1-OG1 3.46Å; D83-V87 WeakPolarHBondContact O-CG2 3.49Å; D83-V87 PolarHBondContact O-N 3.27Å; D83-N250 PolarHBondContact OD2-N 3.4Å
84M85.5Confident90.5Very high15 Ų1530.8 Ų30.87%0.07416%0.155CC..Hα-helixtrans-52.2-36.5-179-80.9-171.3-86.100113.3V87 L88 V247 H388 I415 Y418 I422M84-V87 PolarHBondContact O-N 3.36Å; M84-L88 WeakPolarHBondContact O-CB 3.36Å; M84-L88 VanDerWaalsContact O-CG 3.27Å; M84-L88 WeakPolarHBondContact O-CG 3.31Å; M84-L88 PolarHBondContact O-N 3.1Å; M84-V247 HydrophobicContact CE-CB 3.47Å; M84-V247 VanDerWaalsContact CE-CB 3.47Å; M84-V247 HydrophobicContact CE-CG1 3.2Å; M84-V247 HydrophobicContact CE-CG2 4.24Å; M84-H388 HydrophobicContact CG-CB 3.8Å; M84-I415 HydrophobicContact SD-CD1 4.19Å; M84-Y418 HydrophobicContact CB-CE1 4.31Å; M84-Y418 HydrophobicContact CE-CD1 3.64Å; M84-Y418 HydrophobicContact CE-CE1 3.27Å; M84-Y418 HydrophobicContact SD-CD1 4.03Å; M84-Y418 HydrophobicContact SD-CE1 3.95Å; M84-I422 HydrophobicContact CB-CD1 4.31Å
85K88Confident90.4Very high42 Ų4230 Ų3018%0.18315%0.151CC..Hα-helixtrans-64.5-44.3177.8175.7169.1-179171.20111.9D83 W89 I422 E425 L426D83-K85 PolarHBondContact O-N 2.94Å; D83-K85 VanDerWaalsContact O-N 3.09Å; D83-K85 PolarHBondContact OD1-N 2.82Å; K85-W89 PolarHBondContact O-N 3.44Å; K85-I422 HydrophobicContact CB-CD1 4.28Å; K85-I422 HydrophobicContact CB-CG1 4.48Å; K85-I422 HydrophobicContact CB-CG2 3.91Å; K85-I422 HydrophobicContact CD-CG2 4.48Å; K85-I422 HydrophobicContact CG-CG2 3.86Å; K85-E425 IonicContact NZ-OE2 2.88Å; K85-E425 PolarHBondContact NZ-OE2 3.47Å; K85-L426 HydrophobicContact CG-CD2 4.23Å
86T90.9Very high90.2Very high2 Ų234.6 Ų34.61%0.01218%0.18CC..Hα-helixtrans-70-37.9178.6-49.10000111.6L38 R59 L82 D83 W89 L90L38-T86 HydrophobicContact CB-CG2 4.48Å; L38-T86 HydrophobicContact CD2-CG2 3.92Å; R59-T86 PolarHBondContact NH1-OG1 3.43Å; L82-T86 HydrophobicContact CB-CG2 4.3Å; L82-T86 HydrophobicContact CD1-CG2 4.04Å; L82-T86 HydrophobicContact CD2-CG2 3.76Å; L82-T86 HydrophobicContact CG-CG2 4.25Å; D83-T86 PolarHBondContact O-N 3.48Å; D83-T86 VanDerWaalsContact OD1-CB 3.26Å; D83-T86 WeakPolarHBondContact OD1-CB 3.28Å; D83-T86 PolarHBondContact OD1-N 2.92Å; D83-T86 PolarHBondContact OD1-OG1 3.46Å; T86-W89 PolarHBondContact O-N 2.82Å; T86-L90 WeakPolarHBondContact O-CB 3.34Å; T86-L90 PolarHBondContact O-N 2.86Å
87V91Very high90.3Very high8 Ų829.6 Ų29.65%0.04815%0.151CC..Hα-helixtrans-60.9-50.9174.3175.90000110.5T79 L82 D83 M84 W89 L90 E91 F110T79-V87 HydrophobicContact CG2-CG1 4.14Å; T79-V87 HydrophobicContact CG2-CG2 4.41Å; L82-V87 HydrophobicContact CB-CG2 3.55Å; L82-V87 HydrophobicContact CD1-CG2 4.4Å; D83-V87 WeakPolarHBondContact O-CG2 3.49Å; D83-V87 PolarHBondContact O-N 3.27Å; M84-V87 PolarHBondContact O-N 3.36Å; V87-W89 VanDerWaalsContact C-N 3.29Å; V87-W89 PolarHBondContact O-N 2.91Å; V87-L90 WeakPolarHBondContact O-CB 3.17Å; V87-L90 PolarHBondContact O-N 3.15Å; V87-E91 HydrophobicContact CG1-CG 4.37Å; V87-E91 WeakPolarHBondContact O-CG 3.31Å; V87-E91 PolarHBondContact O-N 2.79Å; V87-F110 HydrophobicContact CG1-CD2 4.28Å
88L90.9Very high90.3Very high6 Ų633 Ų333%0.03118%0.176CC..Hα-helixtrans-58.9-39.3177.4-74.9170.5000112.5M84 N92 K419 I422 L426M84-L88 WeakPolarHBondContact O-CB 3.36Å; M84-L88 VanDerWaalsContact O-CG 3.27Å; M84-L88 WeakPolarHBondContact O-CG 3.31Å; M84-L88 PolarHBondContact O-N 3.1Å; L88-N92 PolarHBondContact O-N 3.03Å; L88-N92 VanDerWaalsContact O-N 3.16Å; L88-N92 PolarHBondContact O-ND2 3.32Å; L88-K419 HydrophobicContact CD1-CG 4.32Å; L88-I422 HydrophobicContact CD1-CB 4.19Å; L88-I422 HydrophobicContact CD1-CD1 4.4Å; L88-I422 HydrophobicContact CD1-CG2 3.73Å; L88-L426 HydrophobicContact CB-CD1 4.05Å
89W93Very high90.4Very high32 Ų3234.8 Ų34.812%0.12119%0.186CC..Hα-helixtrans-63.4-45.2174.1178.487.6000111.4I34 G37 L38 L66 K85 T86 V87 N92 Y93 L426I34-W89 HydrophobicContact CB-CH2 4.37Å; I34-W89 HydrophobicContact CG2-CH2 4.12Å; G37-W89 VanDerWaalsContact CA-CD2 3.43Å; L38-W89 HydrophobicContact CD2-CE3 4.02Å; L38-W89 HydrophobicContact CD2-CZ3 3.75Å; L38-W89 HydrophobicContact CG-CE3 4.26Å; L38-W89 HydrophobicContact CG-CH2 4.44Å; L38-W89 HydrophobicContact CG-CZ3 3.74Å; L66-W89 HydrophobicContact CD1-CH2 4.42Å; L66-W89 HydrophobicContact CD1-CZ3 4.22Å; K85-W89 PolarHBondContact O-N 3.44Å; T86-W89 PolarHBondContact O-N 2.82Å; V87-W89 VanDerWaalsContact C-N 3.29Å; V87-W89 PolarHBondContact O-N 2.91Å; W89-N92 PolarHBondContact O-N 2.88Å; W89-Y93 HydrophobicContact CH2-CD1 4.34Å; W89-Y93 AromaticContact CH2-CD2 3.67Å; W89-Y93 HydrophobicContact CH2-CD2 3.67Å; W89-Y93 HydrophobicContact CH2-CE2 4.19Å; W89-Y93 AromaticContact CH2-CG 3.77Å; W89-Y93 HydrophobicContact CH2-CG 3.77Å; W89-Y93 AromaticContact CZ2-CD2 3.53Å; W89-Y93 HydrophobicContact CZ2-CD2 3.53Å; W89-Y93 HydrophobicContact CZ2-CE2 4.15Å; W89-Y93 AromaticContact CZ2-CG 4Å; W89-Y93 HydrophobicContact CZ2-CG 4Å; W89-Y93 HydrophobicContact CZ3-CG 4.28Å; W89-Y93 WeakPolarHBondContact O-CB 3.49Å; W89-Y93 PolarHBondContact O-N 2.81Å; W89-L426 HydrophobicContact CB-CD1 4.42Å; W89-L426 HydrophobicContact CB-CD2 4.09Å
90L94.8Very high90.7Very high0 Ų040.3 Ų40.30%021%0.214CC..Hα-helixtrans-62.9-44-179.9-179.865.6000111.6L62 L66 P78 L82 T86 V87 N92 Y93 L94 F110L62-L90 HydrophobicContact CD2-CD1 4.24Å; L62-L90 HydrophobicContact CD2-CD2 4.1Å; L66-L90 HydrophobicContact CD1-CD1 3.88Å; P78-L90 HydrophobicContact CB-CD2 3.99Å; P78-L90 HydrophobicContact CG-CD2 4.44Å; L82-L90 HydrophobicContact CD1-CD2 3.84Å; T86-L90 WeakPolarHBondContact O-CB 3.34Å; T86-L90 PolarHBondContact O-N 2.86Å; V87-L90 WeakPolarHBondContact O-CB 3.17Å; V87-L90 PolarHBondContact O-N 3.15Å; L90-N92 PolarHBondContact O-N 2.89Å; L90-Y93 PolarHBondContact O-N 2.88Å; L90-L94 HydrophobicContact CD1-CD1 3.92Å; L90-L94 HydrophobicContact CD1-CG 3.99Å; L90-L94 HydrophobicContact CD2-CD1 4.42Å; L90-L94 HydrophobicContact CG-CD1 3.85Å; L90-L94 HydrophobicContact CG-CG 4.28Å; L90-L94 WeakPolarHBondContact O-CB 3.19Å; L90-L94 VanDerWaalsContact O-CG 3.3Å; L90-L94 WeakPolarHBondContact O-CG 3.46Å; L90-L94 PolarHBondContact O-N 3.12Å; L90-F110 HydrophobicContact CD2-CE2 4Å; L90-F110 HydrophobicContact CD2-CZ 4.44Å; L90-F110 HydrophobicContact CG-CE2 4.19Å
91E94.2Very high91.4Very high11 Ų1141 Ų415%0.05122%0.218CC..Hα-helixtrans-54.1-53.6173.6-72.1173.2-179.600110.9V87 Y93 L94 L95 F110 V114V87-E91 HydrophobicContact CG1-CG 4.37Å; V87-E91 WeakPolarHBondContact O-CG 3.31Å; V87-E91 PolarHBondContact O-N 2.79Å; E91-Y93 VanDerWaalsContact C-N 3.28Å; E91-Y93 PolarHBondContact O-N 2.89Å; E91-L94 PolarHBondContact O-N 3.38Å; E91-L95 WeakPolarHBondContact O-CB 3.43Å; E91-L95 WeakPolarHBondContact O-CG 3.44Å; E91-L95 PolarHBondContact O-N 2.98Å; E91-F110 HydrophobicContact CG-CD2 3.49Å; E91-F110 VanDerWaalsContact CG-CD2 3.49Å; E91-F110 HydrophobicContact CG-CE2 3.97Å; E91-F110 HydrophobicContact CG-CG 4.43Å; E91-F110 WeakPolarHBondContact OE1-CA 3.3Å; E91-V114 HydrophobicContact CB-CG2 4.24Å; E91-V114 HydrophobicContact CG-CG2 4.16Å
92N93.1Very high92.2Very high79 Ų7941.3 Ų41.342%0.42222%0.224SC..Hα-helixtrans-60.9-38179.3-74-54000112.6L88 W89 L90L88-N92 PolarHBondContact O-N 3.03Å; L88-N92 VanDerWaalsContact O-N 3.16Å; L88-N92 PolarHBondContact O-ND2 3.32Å; W89-N92 PolarHBondContact O-N 2.88Å; L90-N92 PolarHBondContact O-N 2.89Å
93Y93.9Very high92.6Very high44 Ų4442.8 Ų42.817%0.17323%0.233CC..Hα-helixtrans-66.2-45.1177-170.3-91.7000111.3I34 L66 W89 L90 E91 T96 W97I34-Y93 WeakPolarHBondContact CD1-OH 3.49Å; I34-Y93 HydrophobicContact CG1-CE2 4.15Å; L66-Y93 HydrophobicContact CB-CE1 4Å; L66-Y93 HydrophobicContact CD1-CD1 4.2Å; L66-Y93 HydrophobicContact CD1-CE1 4.19Å; L66-Y93 HydrophobicContact CD2-CD1 4.18Å; L66-Y93 HydrophobicContact CD2-CE1 4Å; L66-Y93 HydrophobicContact CG-CE1 4.28Å; W89-Y93 HydrophobicContact CH2-CD1 4.34Å; W89-Y93 AromaticContact CH2-CD2 3.67Å; W89-Y93 HydrophobicContact CH2-CD2 3.67Å; W89-Y93 HydrophobicContact CH2-CE2 4.19Å; W89-Y93 AromaticContact CH2-CG 3.77Å; W89-Y93 HydrophobicContact CH2-CG 3.77Å; W89-Y93 AromaticContact CZ2-CD2 3.53Å; W89-Y93 HydrophobicContact CZ2-CD2 3.53Å; W89-Y93 HydrophobicContact CZ2-CE2 4.15Å; W89-Y93 AromaticContact CZ2-CG 4Å; W89-Y93 HydrophobicContact CZ2-CG 4Å; W89-Y93 HydrophobicContact CZ3-CG 4.28Å; W89-Y93 WeakPolarHBondContact O-CB 3.49Å; W89-Y93 PolarHBondContact O-N 2.81Å; L90-Y93 PolarHBondContact O-N 2.88Å; E91-Y93 VanDerWaalsContact C-N 3.28Å; E91-Y93 PolarHBondContact O-N 2.89Å; Y93-T96 PolarHBondContact O-N 3.45Å; Y93-T96 PolarHBondContact O-OG1 3.24Å; Y93-W97 HydrophobicContact CD1-CE3 4.46Å; Y93-W97 AromaticContact CE1-CE3 3.95Å; Y93-W97 HydrophobicContact CE1-CE3 3.95Å; Y93-W97 AromaticContact CE1-CZ3 3.76Å; Y93-W97 HydrophobicContact CE1-CZ3 3.76Å
94L95.2Very high93Very high7 Ų746 Ų464%0.03725%0.253CS..Hα-helixtrans-72.8-28.9-179.4-68.1177.1000113.5L66 L73 L75 L90 E91 T96 W97 L101 F110 V114L66-L94 HydrophobicContact CD2-CD2 3.89Å; L73-L94 HydrophobicContact CD2-CD2 4.3Å; L75-L94 HydrophobicContact CD1-CD1 4.02Å; L75-L94 HydrophobicContact CD1-CD2 4.31Å; L90-L94 HydrophobicContact CD1-CD1 3.92Å; L90-L94 HydrophobicContact CD1-CG 3.99Å; L90-L94 HydrophobicContact CD2-CD1 4.42Å; L90-L94 HydrophobicContact CG-CD1 3.85Å; L90-L94 HydrophobicContact CG-CG 4.28Å; L90-L94 WeakPolarHBondContact O-CB 3.19Å; L90-L94 VanDerWaalsContact O-CG 3.3Å; L90-L94 WeakPolarHBondContact O-CG 3.46Å; L90-L94 PolarHBondContact O-N 3.12Å; E91-L94 PolarHBondContact O-N 3.38Å; L94-T96 PolarHBondContact O-N 2.99Å; L94-W97 HydrophobicContact CD2-CE3 4.46Å; L94-W97 WeakPolarHBondContact O-CB 3.4Å; L94-W97 PolarHBondContact O-N 3.09Å; L94-L101 HydrophobicContact CB-CD2 4.15Å; L94-L101 HydrophobicContact CD1-CD2 4.33Å; L94-L101 HydrophobicContact CD2-CD1 4.26Å; L94-L101 HydrophobicContact CD2-CD2 4.11Å; L94-L101 HydrophobicContact CG-CD2 4.43Å; L94-F110 HydrophobicContact CD1-CE2 4.1Å; L94-F110 HydrophobicContact CD1-CZ 3.65Å; L94-V114 HydrophobicContact CB-CG1 3.92Å; L94-V114 HydrophobicContact CB-CG2 4.39Å; L94-V114 HydrophobicContact CD1-CG1 4.39Å
95L93.9Very high93.2Very high100 Ų10045.7 Ų45.752%0.52425%0.253SS..Hα-helixtrans-57.5-29.1171.2-82.9175.7000112.8E91 N113E91-L95 WeakPolarHBondContact O-CB 3.43Å; E91-L95 WeakPolarHBondContact O-CG 3.44Å; E91-L95 PolarHBondContact O-N 2.98Å; L95-N113 WeakPolarHBondContact CD2-O 3.5Å
96T91.2Very high93.1Very high112 Ų11247.3 Ų47.369%0.68726%0.261SS*.THydrogen-bonded Turntrans-97.810.4177.6670000113.1Y93 L94Y93-T96 PolarHBondContact O-N 3.45Å; Y93-T96 PolarHBondContact O-OG1 3.24Å; L94-T96 PolarHBondContact O-N 2.99Å
97W94.2Very high92.9Very high27 Ų2747.8 Ų47.810%0.10226%0.263CS..  trans-67.5128.4-174.9-168.8-101.9000111.4L66 R69 P70 L73 Y93 L94 T99L66-W97 HydrophobicContact CD2-CZ3 4.13Å; R69-W97 HydrophobicContact CB-CH2 4.37Å; R69-W97 HydrophobicContact CG-CH2 4.16Å; R69-W97 HydrophobicContact CG-CZ3 4.45Å; P70-W97 HydrophobicContact CG-CZ2 4.5Å; L73-W97 HydrophobicContact CB-CZ2 3.94Å; L73-W97 HydrophobicContact CD2-CD2 4.23Å; L73-W97 HydrophobicContact CD2-CH2 3.83Å; L73-W97 HydrophobicContact CD2-CZ2 3.52Å; L73-W97 HydrophobicContact CD2-CZ3 4.33Å; L73-W97 HydrophobicContact CG-CZ2 4.27Å; Y93-W97 HydrophobicContact CD1-CE3 4.46Å; Y93-W97 AromaticContact CE1-CE3 3.95Å; Y93-W97 HydrophobicContact CE1-CE3 3.95Å; Y93-W97 AromaticContact CE1-CZ3 3.76Å; Y93-W97 HydrophobicContact CE1-CZ3 3.76Å; L94-W97 HydrophobicContact CD2-CE3 4.46Å; L94-W97 WeakPolarHBondContact O-CB 3.4Å; L94-W97 PolarHBondContact O-N 3.09Å; W97-T99 VanDerWaalsContact CD1-O 3.29Å; W97-T99 PolarHBondContact NE1-OG1 2.98Å
98P90.8Very high92.8Very high98 Ų9848.3 Ų48.364%0.63626%0.264SS*.  trans-85.1-15.2-168.230.8-34.8000115.2
99T94.2Very high92.7Very high50 Ų5050.7 Ų50.731%0.30728%0.275SS..SBendtrans-122.5-169.3-171.663.50000111.9P70 D71 W97 L101P70-T99 PolarHBondContact O-OG1 3.4Å; D71-T99 WeakPolarHBondContact O-CB 3.36Å; W97-T99 VanDerWaalsContact CD1-O 3.29Å; W97-T99 PolarHBondContact NE1-OG1 2.98Å; T99-L101 PolarHBondContact O-N 3.37Å
100I96Very high92.7Very high118 Ų11849.2 Ų49.261%0.60527%0.269SS*.EExtended strand (participates in β ladder)trans-72.6126.8-178-54.9174.9000109.2D71 L72 L73D71-I100 PolarHBondContact O-N 2.95Å; D71-I100 VanDerWaalsContact O-N 3.15Å; L72-I100 WeakPolarHBondContact CA-O 3.41Å; L72-I100 HydrophobicContact CD1-CB 3.96Å; L72-I100 HydrophobicContact CD1-CG2 3.56Å; L73-I100 PolarHBondContact N-O 2.87Å
101L96.3Very high92.7Very high48 Ų4850.2 Ų50.225%0.25128%0.275SS..EExtended strand (participates in β ladder)trans-11712517717564.9000108.9L73 L75 L94 T99 V103 V114L73-L101 HydrophobicContact CB-CD1 4.12Å; L73-L101 HydrophobicContact CD2-CD1 3.88Å; L73-L101 HydrophobicContact CG-CD1 3.99Å; L75-L101 HydrophobicContact CD1-CD1 3.99Å; L75-L101 HydrophobicContact CG-CD1 4.32Å; L94-L101 HydrophobicContact CB-CD2 4.15Å; L94-L101 HydrophobicContact CD1-CD2 4.33Å; L94-L101 HydrophobicContact CD2-CD1 4.26Å; L94-L101 HydrophobicContact CD2-CD2 4.11Å; L94-L101 HydrophobicContact CG-CD2 4.43Å; T99-L101 PolarHBondContact O-N 3.37Å; L101-V103 HydrophobicContact CD1-CG2 3.54Å; L101-V103 HydrophobicContact CD2-CG2 3.9Å; L101-V103 HydrophobicContact CG-CG2 3.58Å; L101-V114 HydrophobicContact CD2-CG1 3.67Å
102C96.6Very high92.7Very high55 Ų5550.8 Ų50.837%0.37228%0.278SS..EExtended strand (participates in β ladder)trans-120.3117.2170.1-178.20000108.1L73 L74 L75L73-C102 PolarHBondContact O-N 2.63Å; L74-C102 WeakPolarHBondContact CA-O 3.24Å; L74-C102 HydrophobicContact CD2-CB 3.6Å; L75-C102 PolarHBondContact N-O 2.83Å
103V95.8Very high92.7Very high33 Ų3349.8 Ų49.820%0.227%0.273CS..EExtended strand (participates in β ladder)trans-121133.3-178.3-169.80000110.3L75 P78 L101 F110L75-V103 HydrophobicContact CB-CB 4.49Å; L75-V103 HydrophobicContact CB-CG1 4.08Å; L75-V103 HydrophobicContact CB-CG2 4.18Å; L75-V103 HydrophobicContact CD1-CG2 4.21Å; L75-V103 WeakPolarHBondContact O-CA 3Å; P78-V103 HydrophobicContact CG-CG1 3.7Å; L101-V103 HydrophobicContact CD1-CG2 3.54Å; L101-V103 HydrophobicContact CD2-CG2 3.9Å; L101-V103 HydrophobicContact CG-CG2 3.58Å; V103-F110 HydrophobicContact CB-CE1 4.48Å; V103-F110 HydrophobicContact CG1-CE1 3.75Å; V103-F110 HydrophobicContact CG1-CZ 4.43Å
104V93.7Very high92.8Very high79 Ų7948.6 Ų48.648%0.47927%0.27SS..EExtended strand (participates in β ladder)trans-100.3124.4161.6-179.30000106.9L75 E77 P78L75-V104 PolarHBondContact O-N 2.97Å; E77-V104 VanDerWaalsContact CA-O 3.3Å; E77-V104 WeakPolarHBondContact CA-O 3.4Å; E77-V104 PolarHBondContact N-O 3.08Å; P78-V104 WeakPolarHBondContact CD-O 3.15Å
105S90.5Very high92.8Very high9 Ų949.4 Ų49.46%0.06328%0.278CS..  trans-149.9146.7173.7-170.40000111.2E77 T79 D107 L111E77-S105 VanDerWaalsContact OE1-C 3.22Å; E77-S105 WeakPolarHBondContact OE1-CA 3.32Å; E77-S105 WeakPolarHBondContact OE2-CA 3.44Å; T79-S105 PolarHBondContact OG1-OG 3.22Å; S105-D107 PolarHBondContact OG-N 3.07Å; S105-D107 VanDerWaalsContact OG-N 3.12Å; S105-L111 WeakPolarHBondContact O-CD1 3.33Å
106H84Confident92.8Very high76 Ų7650.1 Ų50.135%0.35229%0.287SS..SBendtrans-91.9-1.7167.7-67.3-55.4000113.4E77 R108 L364 I366E77-H106 IonicContact OE1-CD2 3.71Å; E77-H106 PolarHBondContact OE1-CD2 2.56Å; E77-H106 IonicContact OE1-CG 3.73Å; E77-H106 PolarHBondContact OE1-N 2.95Å; E77-H106 IonicContact OE1-NE2 3.41Å; E77-H106 PolarHBondContact OE2-N 3.35Å; E77-H106 VanDerWaalsContact OE2-N 3.12Å; H106-R108 PolarHBondContact O-N 3.46Å; H106-L364 WeakPolarHBondContact CB-O 3.48Å; H106-L364 PolarHBondContact CD2-O 3.04Å; H106-L364 VanDerWaalsContact CD2-O 3.3Å; H106-I366 HydrophobicContact CB-CG1 4.35Å; H106-I366 WeakPolarHBondContact O-CG1 3.44Å
107D87.5Confident93Very high12 Ų1250.2 Ų50.26%0.06428%0.279CS..  trans-84106175.3-174.6-23000110T79 S105 E109 F110 L111T79-D107 HydrophobicContact CG2-CB 4.3Å; S105-D107 PolarHBondContact OG-N 3.07Å; S105-D107 VanDerWaalsContact OG-N 3.12Å; D107-E109 VanDerWaalsContact C-N 3.35Å; D107-E109 PolarHBondContact O-N 2.96Å; D107-E109 PolarHBondContact OD1-N 2.95Å; D107-F110 HydrophobicContact CB-CB 3.73Å; D107-F110 VanDerWaalsContact CG-CB 3.48Å; D107-F110 PolarHBondContact O-N 2.84Å; D107-F110 PolarHBondContact OD1-N 2.96Å; D107-L111 WeakPolarHBondContact O-CG 3.33Å; D107-L111 PolarHBondContact O-N 3.49Å
108R89.2Confident93.2Very high18 Ų1849.8 Ų49.87%0.06828%0.279CS..Hα-helixtrans-61.8-42.3-178.8-67.2-170.2-164.4-147.8-3.7112.1H106 F110 L111 N112 Y133 E137 I366 D370 R391H106-R108 PolarHBondContact O-N 3.46Å; R108-F110 VanDerWaalsContact C-N 3.35Å; R108-L111 PolarHBondContact O-N 3.09Å; R108-N112 WeakPolarHBondContact O-CB 3.19Å; R108-N112 PolarHBondContact O-N 2.9Å; R108-Y133 HydrophobicContact CB-CD1 4.22Å; R108-Y133 HydrophobicContact CB-CE1 4.36Å; R108-Y133 HydrophobicContact CG-CD1 4.12Å; R108-Y133 HydrophobicContact CG-CE1 3.75Å; R108-E137 IonicContact CZ-OE1 2.98Å; R108-E137 VanDerWaalsContact NH1-CD 3.26Å; R108-E137 IonicContact NH1-OE1 3.36Å; R108-E137 PolarHBondContact NH1-OE1 3.02Å; R108-E137 IonicContact NH1-OE2 3.96Å; R108-E137 PolarHBondContact NH1-OE2 3.25Å; R108-E137 VanDerWaalsContact NH1-OE2 3.14Å; R108-E137 IonicContact NH2-OE1 3.61Å; R108-I366 HydrophobicContact CG-CD1 4.18Å; R108-I366 HydrophobicContact CG-CG1 4.29Å; R108-I366 HydrophobicContact CG-CG2 4Å; R108-D370 IonicContact CZ-OD1 2.71Å; R108-D370 IonicContact CZ-OD2 3.84Å; R108-D370 IonicContact NH1-OD2 3.14Å; R108-D370 IonicContact NH2-OD1 3.69Å; R108-D370 PolarHBondContact NH2-OD1 3.25Å; R108-D370 IonicContact NH2-OD2 3.37Å; R108-D370 PolarHBondContact NH2-OD2 2.87Å; R108-R391 VanDerWaalsContact NH1-NH2 3.14Å
109E89.7Confident93.4Very high57 Ų5749.3 Ų49.327%0.26627%0.27SS..Hα-helixtrans-66.8-43.7-176.5-177.563.4-161.300109.6D107 L111 N112 N113 K419D107-E109 VanDerWaalsContact C-N 3.35Å; D107-E109 PolarHBondContact O-N 2.96Å; D107-E109 PolarHBondContact OD1-N 2.95Å; E109-L111 PolarHBondContact O-N 3.47Å; E109-N112 PolarHBondContact O-N 2.98Å; E109-N113 WeakPolarHBondContact O-CB 3.31Å; E109-N113 VanDerWaalsContact O-CG 3.29Å; E109-N113 PolarHBondContact O-N 2.59Å; E109-N113 PolarHBondContact O-ND2 3.16Å; E109-N113 PolarHBondContact OE1-ND2 3.31Å; E109-K419 IonicContact OE1-NZ 3.69Å
110F92.3Very high93.3Very high0 Ų048.7 Ų48.70%026%0.262CS..Hα-helixtrans-57.7-49.2173.3177.3-89.6000111.9P78 T79 V87 L90 E91 L94 V103 D107 R108 N112 N113 V114P78-F110 HydrophobicContact CG-CE1 4.22Å; P78-F110 HydrophobicContact CG-CZ 4.01Å; T79-F110 HydrophobicContact CG2-CB 3.97Å; T79-F110 HydrophobicContact CG2-CD1 4.07Å; T79-F110 HydrophobicContact CG2-CD2 3.45Å; T79-F110 VanDerWaalsContact CG2-CD2 3.45Å; T79-F110 HydrophobicContact CG2-CE2 3.93Å; T79-F110 HydrophobicContact CG2-CG 3.54Å; T79-F110 HydrophobicContact CG2-CZ 4.43Å; V87-F110 HydrophobicContact CG1-CD2 4.28Å; L90-F110 HydrophobicContact CD2-CE2 4Å; L90-F110 HydrophobicContact CD2-CZ 4.44Å; L90-F110 HydrophobicContact CG-CE2 4.19Å; E91-F110 HydrophobicContact CG-CD2 3.49Å; E91-F110 VanDerWaalsContact CG-CD2 3.49Å; E91-F110 HydrophobicContact CG-CE2 3.97Å; E91-F110 HydrophobicContact CG-CG 4.43Å; E91-F110 WeakPolarHBondContact OE1-CA 3.3Å; L94-F110 HydrophobicContact CD1-CE2 4.1Å; L94-F110 HydrophobicContact CD1-CZ 3.65Å; V103-F110 HydrophobicContact CB-CE1 4.48Å; V103-F110 HydrophobicContact CG1-CE1 3.75Å; V103-F110 HydrophobicContact CG1-CZ 4.43Å; D107-F110 HydrophobicContact CB-CB 3.73Å; D107-F110 VanDerWaalsContact CG-CB 3.48Å; D107-F110 PolarHBondContact O-N 2.84Å; D107-F110 PolarHBondContact OD1-N 2.96Å; R108-F110 VanDerWaalsContact C-N 3.35Å; F110-N112 VanDerWaalsContact C-N 3.33Å; F110-N112 PolarHBondContact O-N 2.85Å; F110-N113 PolarHBondContact O-N 2.81Å; F110-V114 HydrophobicContact CD2-CG2 4.32Å; F110-V114 HydrophobicContact CE1-CG2 4.43Å; F110-V114 HydrophobicContact CE2-CG2 4.02Å; F110-V114 HydrophobicContact CZ-CG2 4.09Å; F110-V114 WeakPolarHBondContact O-CB 3.46Å; F110-V114 WeakPolarHBondContact O-CG2 3.42Å; F110-V114 PolarHBondContact O-N 3.38Å
111L94Very high93Very high21 Ų2149.6 Ų49.611%0.1127%0.266CS..Hα-helixtrans-63.2-39.7176.9-72.1-177.2000112.1S105 D107 R108 E109 N113 A115 Y133S105-L111 WeakPolarHBondContact O-CD1 3.33Å; D107-L111 WeakPolarHBondContact O-CG 3.33Å; D107-L111 PolarHBondContact O-N 3.49Å; R108-L111 PolarHBondContact O-N 3.09Å; E109-L111 PolarHBondContact O-N 3.47Å; L111-N113 VanDerWaalsContact C-N 3.28Å; L111-N113 PolarHBondContact O-N 2.86Å; L111-A115 WeakPolarHBondContact O-CB 3.42Å; L111-A115 PolarHBondContact O-N 3.04Å; L111-Y133 HydrophobicContact CB-CD2 4.32Å; L111-Y133 HydrophobicContact CB-CG 4.45Å; L111-Y133 HydrophobicContact CD1-CD2 3.81Å; L111-Y133 HydrophobicContact CD1-CE2 4.22Å
112N94.5Very high92.5Very high23 Ų2349.4 Ų49.412%0.12326%0.264CS..Hα-helixtrans-65.4-34.6-179.2-159.749000112.3R108 E109 F110 N132 Y133 D134R108-N112 WeakPolarHBondContact O-CB 3.19Å; R108-N112 PolarHBondContact O-N 2.9Å; E109-N112 PolarHBondContact O-N 2.98Å; F110-N112 VanDerWaalsContact C-N 3.33Å; F110-N112 PolarHBondContact O-N 2.85Å; N112-N132 WeakPolarHBondContact O-CB 2.97Å; N112-N132 WeakPolarHBondContact OD1-CB 3.4Å; N112-N132 PolarHBondContact OD1-ND2 3.32Å; N112-N132 PolarHBondContact OD1-OD1 2.85Å; N112-Y133 PolarHBondContact OD1-N 2.98Å; N112-D134 PolarHBondContact ND2-OD2 3.2Å; N112-D134 WeakPolarHBondContact OD1-CB 3.4Å; N112-D134 VanDerWaalsContact OD1-CG 3.26Å; N112-D134 PolarHBondContact OD1-N 3.23Å; N112-D134 PolarHBondContact OD1-OD2 3.3Å
113N93.6Very high91.8Very high58 Ų5851 Ų5131%0.3127%0.268SS..Hα-helixtrans-82.2-39.2179.9-69.8-30.7000112.4L95 E109 F110 L111L95-N113 WeakPolarHBondContact CD2-O 3.5Å; E109-N113 WeakPolarHBondContact O-CB 3.31Å; E109-N113 VanDerWaalsContact O-CG 3.29Å; E109-N113 PolarHBondContact O-N 2.59Å; E109-N113 PolarHBondContact O-ND2 3.16Å; E109-N113 PolarHBondContact OE1-ND2 3.31Å; F110-N113 PolarHBondContact O-N 2.81Å; L111-N113 VanDerWaalsContact C-N 3.28Å; L111-N113 PolarHBondContact O-N 2.86Å
114V94.9Very high91.4Very high19 Ų1957.6 Ų57.612%0.11530%0.301CS..Hα-helixtrans-94.7-35.4-171.9179.10000113.2E91 L94 L101 F110E91-V114 HydrophobicContact CB-CG2 4.24Å; E91-V114 HydrophobicContact CG-CG2 4.16Å; L94-V114 HydrophobicContact CB-CG1 3.92Å; L94-V114 HydrophobicContact CB-CG2 4.39Å; L94-V114 HydrophobicContact CD1-CG1 4.39Å; L101-V114 HydrophobicContact CD2-CG1 3.67Å; F110-V114 HydrophobicContact CD2-CG2 4.32Å; F110-V114 HydrophobicContact CE1-CG2 4.43Å; F110-V114 HydrophobicContact CE2-CG2 4.02Å; F110-V114 HydrophobicContact CZ-CG2 4.09Å; F110-V114 WeakPolarHBondContact O-CB 3.46Å; F110-V114 WeakPolarHBondContact O-CG2 3.42Å; F110-V114 PolarHBondContact O-N 3.38Å
115A95.2Very high91.2Very high25 Ų2562.4 Ų62.421%0.20731%0.311CS..  trans-82.2133.7-171.100000112.7L111 I118L111-A115 WeakPolarHBondContact O-CB 3.42Å; L111-A115 PolarHBondContact O-N 3.04Å; A115-I118 HydrophobicContact CB-CD1 3.74Å
116T95Very high91.4Very high115 Ų11566.6 Ų66.671%0.70633%0.332SS*.SBendtrans-99.2-20.6172.855.80000112.9G131T116-G131 CarbonylContact C-O 3.57Å; T116-G131 CarbonylContact O-C 3.07Å; T116-G131 WeakPolarHBondContact O-CA 3.41Å; T116-G131 PolarHBondContact O-N 3.5Å
117E96Very high91.8Very high113 Ų11366.7 Ų66.753%0.52833%0.333SS..EExtended strand (participates in β ladder)trans-141.4144.6176.7-64.8178.5-164.500108.7Y129E117-Y129 CarbonylContact C-O 3.58Å; E117-Y129 WeakPolarHBondContact CA-O 3.48Å
118I96.5Very high92.2Very high19 Ų1973.1 Ų73.110%0.09736%0.357CS..EExtended strand (participates in β ladder)trans-114.4124.9176.7-59-63.6000109.4A115 Y129 Y133 F136A115-I118 HydrophobicContact CB-CD1 3.74Å; I118-Y129 PolarHBondContact N-O 3.24Å; I118-Y129 PolarHBondContact O-N 3.33Å; I118-Y133 HydrophobicContact CD1-CD2 4.5Å; I118-F136 HydrophobicContact CB-CB 4.03Å; I118-F136 HydrophobicContact CB-CD2 4.45Å; I118-F136 HydrophobicContact CB-CG 4.11Å; I118-F136 HydrophobicContact CG1-CB 3.88Å; I118-F136 HydrophobicContact CG1-CG 4.32Å; I118-F136 HydrophobicContact CG2-CB 4.19Å; I118-F136 HydrophobicContact CG2-CD1 3.88Å; I118-F136 HydrophobicContact CG2-CD2 3.99Å; I118-F136 HydrophobicContact CG2-CE1 4.25Å; I118-F136 HydrophobicContact CG2-CE2 4.36Å; I118-F136 HydrophobicContact CG2-CG 3.72Å; I118-F136 HydrophobicContact CG2-CZ 4.47Å
119I95.6Very high92.5Very high87 Ų8773.6 Ų73.645%0.44636%0.359SS..EExtended strand (participates in β ladder)trans-96.2108.5169.3-55178.3000107.6L126 E127 Y128I119-L126 HydrophobicContact CG2-CB 4.14Å; I119-L126 HydrophobicContact CG2-CD2 3.93Å; I119-L126 HydrophobicContact CG2-CG 4.44Å; I119-E127 CarbonylContact C-O 3.57Å; I119-E127 WeakPolarHBondContact CA-O 3.06Å; I119-Y128 HydrophobicContact CD1-CD1 4.23Å; I119-Y128 HydrophobicContact CD1-CE1 3.6Å; I119-Y128 HydrophobicContact CG1-CD1 3.79Å; I119-Y128 HydrophobicContact CG1-CE1 3.65Å; I119-Y128 HydrophobicContact CG2-CE1 4.47Å
120Y92.6Very high92.7Very high37 Ų3777.4 Ų77.415%0.14538%0.381CS..EExtended strand (participates in β ladder)trans-91.3116.5175.2-178.5-123.9000109.9H122 E127 F136 K140Y120-H122 HydrophobicContact CD1-CB 3.97Å; Y120-H122 HydrophobicContact CE1-CB 3.31Å; Y120-H122 AromaticContact CE1-CG 3.85Å; Y120-H122 HydrophobicContact CE2-CB 4.33Å; Y120-H122 AromaticContact CZ-CG 3.87Å; Y120-H122 PolarHBondContact OH-ND1 3.22Å; Y120-E127 PolarHBondContact N-O 2.86Å; Y120-E127 PolarHBondContact O-N 3.2Å; Y120-F136 HydrophobicContact CD1-CE2 4.37Å; Y120-F136 HydrophobicContact CD2-CE2 4.09Å; Y120-F136 AromaticContact CD2-CZ 3.53Å; Y120-F136 HydrophobicContact CD2-CZ 3.53Å; Y120-F136 HydrophobicContact CE2-CZ 4.18Å; Y120-F136 AromaticContact CG-CE2 3.78Å; Y120-F136 HydrophobicContact CG-CE2 3.78Å; Y120-F136 AromaticContact CG-CZ 3.73Å; Y120-F136 HydrophobicContact CG-CZ 3.73Å; Y120-K140 HydrophobicContact CE1-CD 4.35Å; Y120-K140 HydrophobicContact CE2-CD 4.5Å; Y120-K140 VanDerWaalsContact CZ-CE 3.5Å; Y120-K140 WeakPolarHBondContact OH-CE 3.3Å; Y120-K140 PolarHBondContact OH-NZ 3Å
121M90.4Very high92.8Very high137 Ų13778.1 Ų78.168%0.67539%0.389SS*.EExtended strand (participates in β ladder)trans-96113.7175.4-178.6175.2153.700110.1R125 L126M121-R125 WeakPolarHBondContact CA-O 3.48Å; M121-L126 HydrophobicContact CB-CD2 3.72Å; M121-L126 HydrophobicContact CG-CD2 3.85Å; M121-L126 HydrophobicContact SD-CD2 4.36Å
122H85Confident92.8Very high45 Ų4579 Ų7921%0.20839%0.394CS..EExtended strand (participates in β ladder)trans-149.7143178.3-17576.6000110.6Y120 L124 R125 D197Y120-H122 HydrophobicContact CD1-CB 3.97Å; Y120-H122 HydrophobicContact CE1-CB 3.31Å; Y120-H122 AromaticContact CE1-CG 3.85Å; Y120-H122 HydrophobicContact CE2-CB 4.33Å; Y120-H122 AromaticContact CZ-CG 3.87Å; Y120-H122 PolarHBondContact OH-ND1 3.22Å; H122-L124 VanDerWaalsContact C-N 3.27Å; H122-L124 PolarHBondContact O-N 2.95Å; H122-R125 PolarHBondContact N-O 3.47Å; H122-R125 WeakPolarHBondContact O-CA 3.24Å; H122-R125 WeakPolarHBondContact O-CB 3.37Å; H122-R125 PolarHBondContact O-N 2.91Å; H122-D197 IonicContact CE1-OD1 3.79Å; H122-D197 IonicContact CE1-OD2 3.95Å
123N81.7Confident92.7Very high88 Ų8878.7 Ų78.747%0.47139%0.391SS..THydrogen-bonded Turntrans50.841.2179.8-72.2-13.7000115R125 E195N123-R125 PolarHBondContact O-N 2.82Å; N123-E195 PolarHBondContact ND2-OE2 3.12Å
124L87.4Confident92.7Very high171 Ų17179.8 Ų79.890%0.89540%0.397SS*.THydrogen-bonded Turntrans59.922.1-176.6-50.6172.3000113.4H122H122-L124 VanDerWaalsContact C-N 3.27Å; H122-L124 PolarHBondContact O-N 2.95Å
125R89.9Confident92.7Very high181 Ų18183.8 Ų83.868%0.68341%0.414SS*.EExtended strand (participates in β ladder)trans-120.7155.4176.5-62177.9-175.2-1792.1110.1M121 H122 N123M121-R125 WeakPolarHBondContact CA-O 3.48Å; H122-R125 PolarHBondContact N-O 3.47Å; H122-R125 WeakPolarHBondContact O-CA 3.24Å; H122-R125 WeakPolarHBondContact O-CB 3.37Å; H122-R125 PolarHBondContact O-N 2.91Å; N123-R125 PolarHBondContact O-N 2.82Å
126L94.6Very high92.7Very high97 Ų9783 Ų8351%0.50841%0.406SS..EExtended strand (participates in β ladder)trans-113.8123.7173.1-60.5177.3000108.1I119 M121 Y128I119-L126 HydrophobicContact CG2-CB 4.14Å; I119-L126 HydrophobicContact CG2-CD2 3.93Å; I119-L126 HydrophobicContact CG2-CG 4.44Å; M121-L126 HydrophobicContact CB-CD2 3.72Å; M121-L126 HydrophobicContact CG-CD2 3.85Å; M121-L126 HydrophobicContact SD-CD2 4.36Å; L126-Y128 HydrophobicContact CB-CE2 4.11Å
127E92.6Very high92.5Very high78 Ų7880.3 Ų80.336%0.36439%0.386SS..EExtended strand (participates in β ladder)trans-114.2136.5174.4-67.2180-17800109.2I119 Y120 Y129I119-E127 CarbonylContact C-O 3.57Å; I119-E127 WeakPolarHBondContact CA-O 3.06Å; Y120-E127 PolarHBondContact N-O 2.86Å; Y120-E127 PolarHBondContact O-N 3.2Å; E127-Y129 HydrophobicContact CB-CD2 4.4Å; E127-Y129 HydrophobicContact CB-CE2 3.59Å; E127-Y129 PolarHBondContact OE2-OH 2.89Å
128Y95Very high92.4Very high147 Ų14781 Ų8158%0.57639%0.387SS*.EExtended strand (participates in β ladder)trans-108.1129.5-174.9-66.6-103.4000109.3I119 L126I119-Y128 HydrophobicContact CD1-CD1 4.23Å; I119-Y128 HydrophobicContact CD1-CE1 3.6Å; I119-Y128 HydrophobicContact CG1-CD1 3.79Å; I119-Y128 HydrophobicContact CG1-CE1 3.65Å; I119-Y128 HydrophobicContact CG2-CE1 4.47Å; L126-Y128 HydrophobicContact CB-CE2 4.11Å
129Y95.4Very high92.2Very high27 Ų2783.5 Ų83.511%0.10640%0.403CS..EExtended strand (participates in β ladder)trans-122.9127.7179.2-65.1-98.4000109E117 I118 E127 F136 T139E117-Y129 CarbonylContact C-O 3.58Å; E117-Y129 WeakPolarHBondContact CA-O 3.48Å; I118-Y129 PolarHBondContact N-O 3.24Å; I118-Y129 PolarHBondContact O-N 3.33Å; E127-Y129 HydrophobicContact CB-CD2 4.4Å; E127-Y129 HydrophobicContact CB-CE2 3.59Å; E127-Y129 PolarHBondContact OE2-OH 2.89Å; Y129-F136 HydrophobicContact CD1-CD2 4Å; Y129-F136 AromaticContact CD2-CD2 3.61Å; Y129-F136 HydrophobicContact CD2-CD2 3.61Å; Y129-F136 AromaticContact CD2-CE2 3.87Å; Y129-F136 HydrophobicContact CD2-CE2 3.87Å; Y129-F136 HydrophobicContact CE1-CD2 4.33Å; Y129-F136 AromaticContact CE2-CD2 3.99Å; Y129-F136 HydrophobicContact CE2-CD2 3.99Å; Y129-F136 AromaticContact CE2-CE2 3.84Å; Y129-F136 HydrophobicContact CE2-CE2 3.84Å; Y129-F136 AromaticContact CG-CD2 3.64Å; Y129-F136 HydrophobicContact CG-CD2 3.64Å; Y129-F136 HydrophobicContact CG-CE2 4.33Å; Y129-T139 HydrophobicContact CD1-CG2 4.12Å; Y129-T139 HydrophobicContact CE1-CG2 4.07Å
130N94.7Very high92Very high137 Ų13781 Ų8173%0.73339%0.388SS*.EExtended strand (participates in β ladder)trans-78.3135.8172.7-68.7-33.3000109.4
131G93.7Very high91.8Very high15 Ų1582.9 Ų82.916%0.15540%0.404CS..SBendtrans112.7-176.6179.600000113.7T116T116-G131 CarbonylContact C-O 3.57Å; T116-G131 CarbonylContact O-C 3.07Å; T116-G131 WeakPolarHBondContact O-CA 3.41Å; T116-G131 PolarHBondContact O-N 3.5Å
132N93.8Very high91.9Very high40 Ų4081.1 Ų81.121%0.21439%0.394CS..  trans-82.6-179.7179.6676000112.2N112 D134 Q135 F136N112-N132 WeakPolarHBondContact O-CB 2.97Å; N112-N132 WeakPolarHBondContact OD1-CB 3.4Å; N112-N132 PolarHBondContact OD1-ND2 3.32Å; N112-N132 PolarHBondContact OD1-OD1 2.85Å; N132-D134 PolarHBondContact O-N 3.29Å; N132-Q135 PolarHBondContact O-N 2.91Å; N132-Q135 WeakPolarHBondContact OD1-CB 3.26Å; N132-Q135 WeakPolarHBondContact OD1-CG 3.44Å; N132-Q135 PolarHBondContact OD1-N 3.46Å; N132-Q135 VanDerWaalsContact OD1-N 3.08Å; N132-F136 PolarHBondContact O-N 2.95Å
133Y93.7Very high92Very high17 Ų1782.4 Ų82.47%0.06740%0.402CS..Hα-helixtrans-60.1-43.1-177.5-170.8-89.4000113.1R108 L111 N112 I118 Q135 F136 E137 I366R108-Y133 HydrophobicContact CB-CD1 4.22Å; R108-Y133 HydrophobicContact CB-CE1 4.36Å; R108-Y133 HydrophobicContact CG-CD1 4.12Å; R108-Y133 HydrophobicContact CG-CE1 3.75Å; L111-Y133 HydrophobicContact CB-CD2 4.32Å; L111-Y133 HydrophobicContact CB-CG 4.45Å; L111-Y133 HydrophobicContact CD1-CD2 3.81Å; L111-Y133 HydrophobicContact CD1-CE2 4.22Å; N112-Y133 PolarHBondContact OD1-N 2.98Å; I118-Y133 HydrophobicContact CD1-CD2 4.5Å; Y133-Q135 VanDerWaalsContact C-N 3.33Å; Y133-Q135 PolarHBondContact O-N 3.07Å; Y133-F136 HydrophobicContact CD2-CD1 4.08Å; Y133-F136 AromaticContact CE2-CD1 3.96Å; Y133-F136 HydrophobicContact CE2-CD1 3.96Å; Y133-F136 HydrophobicContact CE2-CE1 4.01Å; Y133-F136 WeakPolarHBondContact O-CB 3.41Å; Y133-F136 PolarHBondContact O-N 3.08Å; Y133-E137 HydrophobicContact CE1-CB 4.26Å; Y133-E137 PolarHBondContact O-N 3.3Å; Y133-I366 HydrophobicContact CE2-CD1 3.71Å; Y133-I366 WeakPolarHBondContact OH-CD1 3.27Å; Y133-I366 WeakPolarHBondContact OH-CG2 3.36Å
134D93.4Very high92.3Very high81 Ų8180.8 Ų80.843%0.43339%0.393SS..Hα-helixtrans-63.2-40.3-179.3-70.7-19.3000112N112 N132 E137 K138N112-D134 PolarHBondContact ND2-OD2 3.2Å; N112-D134 WeakPolarHBondContact OD1-CB 3.4Å; N112-D134 VanDerWaalsContact OD1-CG 3.26Å; N112-D134 PolarHBondContact OD1-N 3.23Å; N112-D134 PolarHBondContact OD1-OD2 3.3Å; N132-D134 PolarHBondContact O-N 3.29Å; D134-E137 PolarHBondContact O-N 2.99Å; D134-K138 WeakPolarHBondContact O-CB 3.3Å; D134-K138 PolarHBondContact O-N 2.89Å
135Q94.2Very high92.3Very high103 Ų10374.9 Ų74.948%0.48137%0.369SS..Hα-helixtrans-65.3-41.1175.7-72.8169.2-12.200111.5N132 Y133 T139N132-Q135 PolarHBondContact O-N 2.91Å; N132-Q135 WeakPolarHBondContact OD1-CB 3.26Å; N132-Q135 WeakPolarHBondContact OD1-CG 3.44Å; N132-Q135 PolarHBondContact OD1-N 3.46Å; N132-Q135 VanDerWaalsContact OD1-N 3.08Å; Y133-Q135 VanDerWaalsContact C-N 3.33Å; Y133-Q135 PolarHBondContact O-N 3.07Å; Q135-T139 WeakPolarHBondContact O-CB 3.47Å; Q135-T139 PolarHBondContact O-N 2.91Å; Q135-T139 PolarHBondContact O-OG1 2.94Å
136F94.6Very high92.3Very high9 Ų969.6 Ų69.64%0.03935%0.354CS..Hα-helixtrans-60.1-52.1173156.1-107.2000111.7I118 Y120 Y129 N132 Y133 K138 T139 K140I118-F136 HydrophobicContact CB-CB 4.03Å; I118-F136 HydrophobicContact CB-CD2 4.45Å; I118-F136 HydrophobicContact CB-CG 4.11Å; I118-F136 HydrophobicContact CG1-CB 3.88Å; I118-F136 HydrophobicContact CG1-CG 4.32Å; I118-F136 HydrophobicContact CG2-CB 4.19Å; I118-F136 HydrophobicContact CG2-CD1 3.88Å; I118-F136 HydrophobicContact CG2-CD2 3.99Å; I118-F136 HydrophobicContact CG2-CE1 4.25Å; I118-F136 HydrophobicContact CG2-CE2 4.36Å; I118-F136 HydrophobicContact CG2-CG 3.72Å; I118-F136 HydrophobicContact CG2-CZ 4.47Å; Y120-F136 HydrophobicContact CD1-CE2 4.37Å; Y120-F136 HydrophobicContact CD2-CE2 4.09Å; Y120-F136 AromaticContact CD2-CZ 3.53Å; Y120-F136 HydrophobicContact CD2-CZ 3.53Å; Y120-F136 HydrophobicContact CE2-CZ 4.18Å; Y120-F136 AromaticContact CG-CE2 3.78Å; Y120-F136 HydrophobicContact CG-CE2 3.78Å; Y120-F136 AromaticContact CG-CZ 3.73Å; Y120-F136 HydrophobicContact CG-CZ 3.73Å; Y129-F136 HydrophobicContact CD1-CD2 4Å; Y129-F136 AromaticContact CD2-CD2 3.61Å; Y129-F136 HydrophobicContact CD2-CD2 3.61Å; Y129-F136 AromaticContact CD2-CE2 3.87Å; Y129-F136 HydrophobicContact CD2-CE2 3.87Å; Y129-F136 HydrophobicContact CE1-CD2 4.33Å; Y129-F136 AromaticContact CE2-CD2 3.99Å; Y129-F136 HydrophobicContact CE2-CD2 3.99Å; Y129-F136 AromaticContact CE2-CE2 3.84Å; Y129-F136 HydrophobicContact CE2-CE2 3.84Å; Y129-F136 AromaticContact CG-CD2 3.64Å; Y129-F136 HydrophobicContact CG-CD2 3.64Å; Y129-F136 HydrophobicContact CG-CE2 4.33Å; N132-F136 PolarHBondContact O-N 2.95Å; Y133-F136 HydrophobicContact CD2-CD1 4.08Å; Y133-F136 AromaticContact CE2-CD1 3.96Å; Y133-F136 HydrophobicContact CE2-CD1 3.96Å; Y133-F136 HydrophobicContact CE2-CE1 4.01Å; Y133-F136 WeakPolarHBondContact O-CB 3.41Å; Y133-F136 PolarHBondContact O-N 3.08Å; F136-K138 VanDerWaalsContact C-N 3.3Å; F136-K138 PolarHBondContact O-N 2.85Å; F136-T139 PolarHBondContact O-N 3.37Å; F136-T139 VanDerWaalsContact O-N 3.17Å; F136-K140 HydrophobicContact CD2-CB 4.48Å; F136-K140 HydrophobicContact CE1-CD 4.44Å; F136-K140 HydrophobicContact CE2-CB 4.11Å; F136-K140 HydrophobicContact CE2-CD 3.99Å; F136-K140 HydrophobicContact CZ-CB 4.48Å; F136-K140 HydrophobicContact CZ-CD 3.66Å; F136-K140 VanDerWaalsContact O-CB 3.31Å; F136-K140 WeakPolarHBondContact O-CB 3.32Å; F136-K140 PolarHBondContact O-N 3.34Å
137E91.7Very high91.9Very high58 Ų5868.7 Ų68.727%0.27135%0.348SS..Hα-helixtrans-58.8-44.6-178.3-177.9174.6-139.900110.8R108 Y133 D134 K140 T141R108-E137 IonicContact CZ-OE1 2.98Å; R108-E137 VanDerWaalsContact NH1-CD 3.26Å; R108-E137 IonicContact NH1-OE1 3.36Å; R108-E137 PolarHBondContact NH1-OE1 3.02Å; R108-E137 IonicContact NH1-OE2 3.96Å; R108-E137 PolarHBondContact NH1-OE2 3.25Å; R108-E137 VanDerWaalsContact NH1-OE2 3.14Å; R108-E137 IonicContact NH2-OE1 3.61Å; Y133-E137 HydrophobicContact CE1-CB 4.26Å; Y133-E137 PolarHBondContact O-N 3.3Å; D134-E137 PolarHBondContact O-N 2.99Å; E137-K140 PolarHBondContact O-N 3.11Å; E137-T141 HydrophobicContact CG-CG2 4.45Å; E137-T141 WeakPolarHBondContact O-CB 3.41Å; E137-T141 VanDerWaalsContact O-CG2 3.25Å; E137-T141 WeakPolarHBondContact O-CG2 3.49Å; E137-T141 PolarHBondContact O-N 3.21Å; E137-T141 PolarHBondContact O-OG1 3.45Å
138K93.4Very high91.7Very high128 Ų12868 Ų6856%0.55734%0.344SS*.Hα-helixtrans-61.4-47.7175.7-174179.9175.7-175.60112.3D134 F136 K140 T141 E142D134-K138 WeakPolarHBondContact O-CB 3.3Å; D134-K138 PolarHBondContact O-N 2.89Å; F136-K138 VanDerWaalsContact C-N 3.3Å; F136-K138 PolarHBondContact O-N 2.85Å; K138-K140 PolarHBondContact O-N 3.4Å; K138-T141 WeakPolarHBondContact CA-OG1 3.43Å; K138-T141 PolarHBondContact O-N 3.41Å; K138-T141 PolarHBondContact O-OG1 2.94Å; K138-E142 WeakPolarHBondContact CE-OE1 3.46Å; K138-E142 WeakPolarHBondContact O-CB 3.5Å; K138-E142 WeakPolarHBondContact O-CG 3.39Å; K138-E142 PolarHBondContact O-N 3.03Å
139T93.5Very high91.4Very high70 Ų7068.1 Ų68.143%0.42934%0.344SS..Hα-helixtrans-64.4-42.9-179.3-55.90000111.3Y129 Q135 F136 L143Y129-T139 HydrophobicContact CD1-CG2 4.12Å; Y129-T139 HydrophobicContact CE1-CG2 4.07Å; Q135-T139 WeakPolarHBondContact O-CB 3.47Å; Q135-T139 PolarHBondContact O-N 2.91Å; Q135-T139 PolarHBondContact O-OG1 2.94Å; F136-T139 PolarHBondContact O-N 3.37Å; F136-T139 VanDerWaalsContact O-N 3.17Å; T139-L143 VanDerWaalsContact O-CB 3.31Å; T139-L143 WeakPolarHBondContact O-CB 3.41Å; T139-L143 PolarHBondContact O-N 3.13Å
140K91.1Very high91Very high34 Ų3473.2 Ų73.215%0.14837%0.369CS..Hα-helixtrans-61.7-48.8176.6179.4-175.7173.6-173.30111.2Y120 F136 E137 K138 E142 L143 L144Y120-K140 HydrophobicContact CE1-CD 4.35Å; Y120-K140 HydrophobicContact CE2-CD 4.5Å; Y120-K140 VanDerWaalsContact CZ-CE 3.5Å; Y120-K140 WeakPolarHBondContact OH-CE 3.3Å; Y120-K140 PolarHBondContact OH-NZ 3Å; F136-K140 HydrophobicContact CD2-CB 4.48Å; F136-K140 HydrophobicContact CE1-CD 4.44Å; F136-K140 HydrophobicContact CE2-CB 4.11Å; F136-K140 HydrophobicContact CE2-CD 3.99Å; F136-K140 HydrophobicContact CZ-CB 4.48Å; F136-K140 HydrophobicContact CZ-CD 3.66Å; F136-K140 VanDerWaalsContact O-CB 3.31Å; F136-K140 WeakPolarHBondContact O-CB 3.32Å; F136-K140 PolarHBondContact O-N 3.34Å; E137-K140 PolarHBondContact O-N 3.11Å; K138-K140 PolarHBondContact O-N 3.4Å; K140-E142 PolarHBondContact O-N 3.4Å; K140-L143 PolarHBondContact O-N 3.32Å; K140-L144 HydrophobicContact CG-CD1 4.01Å; K140-L144 HydrophobicContact CG-CG 4.48Å; K140-L144 WeakPolarHBondContact O-CB 3.47Å; K140-L144 WeakPolarHBondContact O-CG 3.39Å; K140-L144 PolarHBondContact O-N 3.07Å
141T88.3Confident90.6Very high77 Ų7769.1 Ų69.147%0.47234%0.343SS..Hα-helixtrans-64.2-40.4-179.3500000112.1E137 K138 A145E137-T141 HydrophobicContact CG-CG2 4.45Å; E137-T141 WeakPolarHBondContact O-CB 3.41Å; E137-T141 VanDerWaalsContact O-CG2 3.25Å; E137-T141 WeakPolarHBondContact O-CG2 3.49Å; E137-T141 PolarHBondContact O-N 3.21Å; E137-T141 PolarHBondContact O-OG1 3.45Å; K138-T141 WeakPolarHBondContact CA-OG1 3.43Å; K138-T141 PolarHBondContact O-N 3.41Å; K138-T141 PolarHBondContact O-OG1 2.94Å; T141-A145 VanDerWaalsContact O-CB 3.3Å; T141-A145 WeakPolarHBondContact O-CB 3.35Å; T141-A145 PolarHBondContact O-N 2.99Å
142E91.8Very high90.4Very high101 Ų10173 Ų7347%0.47236%0.358SS..Hα-helixtrans-64.1-43.2173.9-73.3177.2-173.100112.2K138 K140 A145 N146K138-E142 WeakPolarHBondContact CE-OE1 3.46Å; K138-E142 WeakPolarHBondContact O-CB 3.5Å; K138-E142 WeakPolarHBondContact O-CG 3.39Å; K138-E142 PolarHBondContact O-N 3.03Å; K140-E142 PolarHBondContact O-N 3.4Å; E142-A145 PolarHBondContact O-N 3.21Å; E142-N146 VanDerWaalsContact O-CG 3.28Å; E142-N146 PolarHBondContact O-N 3.26Å; E142-N146 PolarHBondContact O-ND2 3.16Å
143L88.4Confident90.2Very high72 Ų7274.1 Ų74.138%0.37737%0.372SS..Hα-helixtrans-61.6-48.2176.6-178.763.9000111.4T139 K140 A145 N146 Q147T139-L143 VanDerWaalsContact O-CB 3.31Å; T139-L143 WeakPolarHBondContact O-CB 3.41Å; T139-L143 PolarHBondContact O-N 3.13Å; K140-L143 PolarHBondContact O-N 3.32Å; L143-A145 VanDerWaalsContact C-N 3.34Å; L143-A145 PolarHBondContact O-N 2.95Å; L143-N146 PolarHBondContact O-N 3.17Å; L143-Q147 HydrophobicContact CD1-CG 4.49Å; L143-Q147 WeakPolarHBondContact O-CG 3.29Å; L143-Q147 PolarHBondContact O-N 2.89Å
144L87.1Confident89.9Confident53 Ų5375.3 Ų75.328%0.27738%0.378SS..Hα-helixtrans-62-41.5177.3-71.9173.5000111.6K140 N146 Q147 Q148 V194K140-L144 HydrophobicContact CG-CD1 4.01Å; K140-L144 HydrophobicContact CG-CG 4.48Å; K140-L144 WeakPolarHBondContact O-CB 3.47Å; K140-L144 WeakPolarHBondContact O-CG 3.39Å; K140-L144 PolarHBondContact O-N 3.07Å; L144-N146 VanDerWaalsContact C-N 3.33Å; L144-N146 PolarHBondContact O-N 3.47Å; L144-Q147 PolarHBondContact O-N 3.37Å; L144-Q148 VanDerWaalsContact O-CB 3.3Å; L144-Q148 WeakPolarHBondContact O-CB 3.46Å; L144-Q148 PolarHBondContact O-N 3.01Å; L144-V194 HydrophobicContact CD2-CG1 3.84Å
145A87.4Confident89.8Confident47 Ų4777 Ų7739%0.38838%0.382SS..Hα-helixtrans-66.5-32.217700000113.1T141 E142 L143 R149T141-A145 VanDerWaalsContact O-CB 3.3Å; T141-A145 WeakPolarHBondContact O-CB 3.35Å; T141-A145 PolarHBondContact O-N 2.99Å; E142-A145 PolarHBondContact O-N 3.21Å; L143-A145 VanDerWaalsContact C-N 3.34Å; L143-A145 PolarHBondContact O-N 2.95Å; A145-R149 WeakPolarHBondContact O-CG 3.41Å; A145-R149 PolarHBondContact O-N 3.4Å; A145-R149 PolarHBondContact O-NE 3.25Å; A145-R149 VanDerWaalsContact O-NE 3.14Å
146N89.2Confident89.6Confident70 Ų7078.7 Ų78.737%0.37439%0.391SS..Hα-helixtrans-69.9-49.4172.5-73.5-32.1000110.9E142 L143 L144 Q148 R149 E150E142-N146 VanDerWaalsContact O-CG 3.28Å; E142-N146 PolarHBondContact O-N 3.26Å; E142-N146 PolarHBondContact O-ND2 3.16Å; L143-N146 PolarHBondContact O-N 3.17Å; L144-N146 VanDerWaalsContact C-N 3.33Å; L144-N146 PolarHBondContact O-N 3.47Å; N146-Q148 VanDerWaalsContact C-N 3.27Å; N146-Q148 PolarHBondContact O-N 3.36Å; N146-R149 PolarHBondContact O-N 3.21Å; N146-R149 VanDerWaalsContact O-N 3.15Å; N146-R149 PolarHBondContact OD1-NH2 3.13Å; N146-E150 WeakPolarHBondContact O-CG 3.17Å; N146-E150 PolarHBondContact O-N 2.64Å
147Q87.2Confident89.3Confident79 Ų7981.9 Ų81.937%0.36941%0.406SS..Hα-helixtrans-58.4-40.6177.6-71.4176.2-100111.6L143 L144 E150 Y151 V194L143-Q147 HydrophobicContact CD1-CG 4.49Å; L143-Q147 WeakPolarHBondContact O-CG 3.29Å; L143-Q147 PolarHBondContact O-N 2.89Å; L144-Q147 PolarHBondContact O-N 3.37Å; Q147-E150 PolarHBondContact O-N 3.13Å; Q147-Y151 VanDerWaalsContact O-CB 3.24Å; Q147-Y151 WeakPolarHBondContact O-CB 3.32Å; Q147-Y151 PolarHBondContact O-N 2.84Å; Q147-V194 HydrophobicContact CB-CG2 3.73Å
148Q87.5Confident89.1Confident62 Ų6282.2 Ų82.229%0.2941%0.405SS..Hα-helixtrans-64-42.5177.9-176.96131.100111.5L144 N146 Y151 E152 V194L144-Q148 VanDerWaalsContact O-CB 3.3Å; L144-Q148 WeakPolarHBondContact O-CB 3.46Å; L144-Q148 PolarHBondContact O-N 3.01Å; N146-Q148 VanDerWaalsContact C-N 3.27Å; N146-Q148 PolarHBondContact O-N 3.36Å; Q148-Y151 PolarHBondContact O-N 3.38Å; Q148-E152 PolarHBondContact NE2-OE1 2.79Å; Q148-E152 WeakPolarHBondContact O-CG 3.34Å; Q148-E152 PolarHBondContact O-N 3.41Å; Q148-V194 HydrophobicContact CB-CG2 4.41Å
149R88.3Confident88.9Confident150 Ų15078.2 Ų78.257%0.56640%0.396SS*.Hα-helixtrans-67.1-41.9176.4-78.6-177.3-77.5145.1-11.7112.6A145 N146 Y151 E152 A153A145-R149 WeakPolarHBondContact O-CG 3.41Å; A145-R149 PolarHBondContact O-N 3.4Å; A145-R149 PolarHBondContact O-NE 3.25Å; A145-R149 VanDerWaalsContact O-NE 3.14Å; N146-R149 PolarHBondContact O-N 3.21Å; N146-R149 VanDerWaalsContact O-N 3.15Å; N146-R149 PolarHBondContact OD1-NH2 3.13Å; R149-Y151 VanDerWaalsContact C-N 3.33Å; R149-E152 PolarHBondContact O-N 2.95Å; R149-A153 VanDerWaalsContact O-CB 3.32Å; R149-A153 WeakPolarHBondContact O-CB 3.42Å; R149-A153 PolarHBondContact O-N 2.93Å
150E87.3Confident88.7Confident135 Ų13580.7 Ų80.763%0.63140%0.402SS*.Hα-helixtrans-62.7-42.9175.5-73.6178.8-176.700111.2N146 Q147 A153 Q154N146-E150 WeakPolarHBondContact O-CG 3.17Å; N146-E150 PolarHBondContact O-N 2.64Å; Q147-E150 PolarHBondContact O-N 3.13Å; E150-A153 PolarHBondContact O-N 2.85Å; E150-Q154 VanDerWaalsContact O-CB 3.29Å; E150-Q154 WeakPolarHBondContact O-CB 3.4Å; E150-Q154 PolarHBondContact O-N 3.08Å
151Y87.7Confident88.6Confident50 Ų5079.4 Ų79.420%0.19640%0.397CS..Hα-helixtrans-59.4-49174.2174.1-91.7000111.7Q147 Q148 R149 Q154 K155 L191 S192 P193Q147-Y151 VanDerWaalsContact O-CB 3.24Å; Q147-Y151 WeakPolarHBondContact O-CB 3.32Å; Q147-Y151 PolarHBondContact O-N 2.84Å; Q148-Y151 PolarHBondContact O-N 3.38Å; R149-Y151 VanDerWaalsContact C-N 3.33Å; Y151-Q154 PolarHBondContact O-N 2.8Å; Y151-K155 HydrophobicContact CE1-CD 4.11Å; Y151-K155 VanDerWaalsContact O-CB 3.24Å; Y151-K155 WeakPolarHBondContact O-CB 3.26Å; Y151-K155 PolarHBondContact O-N 3.38Å; Y151-L191 HydrophobicContact CD2-CD1 3.51Å; Y151-L191 HydrophobicContact CD2-CD2 4.04Å; Y151-L191 HydrophobicContact CD2-CG 3.56Å; Y151-L191 HydrophobicContact CE2-CD1 3.8Å; Y151-L191 HydrophobicContact CE2-CD2 3.42Å; Y151-L191 VanDerWaalsContact CE2-CD2 3.42Å; Y151-L191 HydrophobicContact CE2-CG 3.31Å; Y151-L191 HydrophobicContact CG-CD1 4.24Å; Y151-S192 VanDerWaalsContact CD2-O 3.28Å; Y151-S192 WeakPolarHBondContact CD2-O 3.32Å; Y151-P193 HydrophobicContact CE2-CB 4.07Å
152E89.8Confident88.6Confident98 Ų9879.2 Ų79.246%0.45839%0.391SS..Hα-helixtrans-62.7-43.5178.1-75.8172.6-169.300112.1Q148 R149 K155 M156Q148-E152 PolarHBondContact NE2-OE1 2.79Å; Q148-E152 WeakPolarHBondContact O-CG 3.34Å; Q148-E152 PolarHBondContact O-N 3.41Å; R149-E152 PolarHBondContact O-N 2.95Å; E152-K155 PolarHBondContact O-N 3.03Å; E152-M156 WeakPolarHBondContact O-CB 3.2Å; E152-M156 VanDerWaalsContact O-CG 3.3Å; E152-M156 WeakPolarHBondContact O-CG 3.47Å; E152-M156 PolarHBondContact O-N 3.07Å
153A89.2Confident88.4Confident62 Ų6280.5 Ų80.551%0.51240%0.397SS..Hα-helixtrans-62.7-44.1176.400000111.7R149 E150 M156 H157R149-A153 VanDerWaalsContact O-CB 3.32Å; R149-A153 WeakPolarHBondContact O-CB 3.42Å; R149-A153 PolarHBondContact O-N 2.93Å; E150-A153 PolarHBondContact O-N 2.85Å; A153-M156 PolarHBondContact O-N 2.86Å; A153-H157 WeakPolarHBondContact O-CB 3.46Å; A153-H157 PolarHBondContact O-N 3.41Å
154Q87.3Confident88.4Confident43 Ų4379.5 Ų79.520%0.20139%0.39CS..Hα-helixtrans-67.1-39177.5-167.7-176.512.500111.4E150 Y151 H157 R158 P189 L191E150-Q154 VanDerWaalsContact O-CB 3.29Å; E150-Q154 WeakPolarHBondContact O-CB 3.4Å; E150-Q154 PolarHBondContact O-N 3.08Å; Y151-Q154 PolarHBondContact O-N 2.8Å; Q154-H157 PolarHBondContact O-N 3.25Å; Q154-R158 WeakPolarHBondContact O-CB 3.45Å; Q154-R158 VanDerWaalsContact O-CG 3.27Å; Q154-R158 WeakPolarHBondContact O-CG 3.49Å; Q154-R158 PolarHBondContact O-N 2.87Å; Q154-P189 PolarHBondContact NE2-O 3.38Å; Q154-L191 HydrophobicContact CB-CD1 3.74Å; Q154-L191 HydrophobicContact CG-CD1 3.85Å
155K90.3Very high88.3Confident116 Ų11677.5 Ų77.550%0.50438%0.379SS..Hα-helixtrans-61.5-46.9174.5-176.1178.8177.7179.40111.6Y151 E152 R158 A159 L191Y151-K155 HydrophobicContact CE1-CD 4.11Å; Y151-K155 VanDerWaalsContact O-CB 3.24Å; Y151-K155 WeakPolarHBondContact O-CB 3.26Å; Y151-K155 PolarHBondContact O-N 3.38Å; E152-K155 PolarHBondContact O-N 3.03Å; K155-R158 PolarHBondContact O-N 2.65Å; K155-A159 WeakPolarHBondContact O-CB 3.38Å; K155-A159 PolarHBondContact O-N 2.82Å; K155-L191 HydrophobicContact CB-CD2 4.16Å; K155-L191 HydrophobicContact CG-CD2 4.49Å
156M89.9Confident88.3Confident138 Ų13879.2 Ų79.268%0.6838%0.382SS*.Hα-helixtrans-63.4-41.9175.8-72.5-61.8-67.900111.9E152 A153 A159 H160E152-M156 WeakPolarHBondContact O-CB 3.2Å; E152-M156 VanDerWaalsContact O-CG 3.3Å; E152-M156 WeakPolarHBondContact O-CG 3.47Å; E152-M156 PolarHBondContact O-N 3.07Å; A153-M156 PolarHBondContact O-N 2.86Å; M156-A159 PolarHBondContact O-N 2.84Å; M156-H160 WeakPolarHBondContact O-CB 3.07Å; M156-H160 PolarHBondContact O-N 3.36Å
157H87.9Confident88.2Confident76 Ų7685.5 Ų85.535%0.35240%0.4SS..Hα-helixtrans-63-45.7176.7-172.270.7000111.8A153 Q154 H160 V161 M184A153-H157 WeakPolarHBondContact O-CB 3.46Å; A153-H157 PolarHBondContact O-N 3.41Å; Q154-H157 PolarHBondContact O-N 3.25Å; H157-H160 PolarHBondContact O-N 3.41Å; H157-V161 VanDerWaalsContact O-CG2 3.32Å; H157-V161 WeakPolarHBondContact O-CG2 3.35Å; H157-V161 PolarHBondContact O-N 2.82Å; H157-M184 WeakPolarHBondContact NE2-CE 3.5Å
158R87.9Confident88.1Confident65 Ų6583.6 Ų83.625%0.24539%0.391CS..Hα-helixtrans-59.4-46.1174.9-75.5174.9171-121.9-4.1111.2Q154 K155 V161 Q162 L185 L188 P189Q154-R158 WeakPolarHBondContact O-CB 3.45Å; Q154-R158 VanDerWaalsContact O-CG 3.27Å; Q154-R158 WeakPolarHBondContact O-CG 3.49Å; Q154-R158 PolarHBondContact O-N 2.87Å; K155-R158 PolarHBondContact O-N 2.65Å; R158-V161 PolarHBondContact O-N 2.8Å; R158-Q162 VanDerWaalsContact O-CB 3.31Å; R158-Q162 WeakPolarHBondContact O-CB 3.26Å; R158-Q162 PolarHBondContact O-N 2.87Å; R158-L185 HydrophobicContact CB-CD1 4.06Å; R158-L185 HydrophobicContact CG-CD1 3.84Å; R158-L188 HydrophobicContact CG-CD1 3.93Å; R158-L188 PolarHBondContact NH2-O 3.06Å; R158-P189 PolarHBondContact NH2-O 3.02Å
159A90.2Very high87.8Confident45 Ų4588.4 Ų88.437%0.37241%0.406SS..Hα-helixtrans-60.9-45.4177.400000112.2K155 M156 V161 Q162 E163K155-A159 WeakPolarHBondContact O-CB 3.38Å; K155-A159 PolarHBondContact O-N 2.82Å; M156-A159 PolarHBondContact O-N 2.84Å; A159-V161 PolarHBondContact O-N 3.5Å; A159-Q162 WeakPolarHBondContact O-CB 3.4Å; A159-Q162 PolarHBondContact O-N 3.45Å; A159-E163 WeakPolarHBondContact O-CG 3.18Å; A159-E163 PolarHBondContact O-N 2.89Å
160H89.8Confident87.5Confident122 Ų12291 Ų9157%0.56542%0.418SS*.Hα-helixtrans-63.5-42.5177.9-177.368.6000112.8M156 H157 Q162 E163 F164M156-H160 WeakPolarHBondContact O-CB 3.07Å; M156-H160 PolarHBondContact O-N 3.36Å; H157-H160 PolarHBondContact O-N 3.41Å; H160-Q162 VanDerWaalsContact C-N 3.32Å; H160-E163 PolarHBondContact O-N 3.28Å; H160-F164 PolarHBondContact O-N 3.25Å; H160-F164 VanDerWaalsContact O-N 3.09Å
161V88.5Confident87.2Confident6 Ų687.8 Ų87.84%0.03641%0.405CS..Hα-helixtrans-64.3-39.9175.3172.30000110.7H157 R158 A159 F164 I165 K181 L185H157-V161 VanDerWaalsContact O-CG2 3.32Å; H157-V161 WeakPolarHBondContact O-CG2 3.35Å; H157-V161 PolarHBondContact O-N 2.82Å; R158-V161 PolarHBondContact O-N 2.8Å; A159-V161 PolarHBondContact O-N 3.5Å; V161-F164 PolarHBondContact O-N 2.92Å; V161-I165 HydrophobicContact CG1-CD1 3.9Å; V161-I165 VanDerWaalsContact O-CG1 3.29Å; V161-I165 WeakPolarHBondContact O-CG1 3.37Å; V161-I165 PolarHBondContact O-N 3.17Å; V161-K181 HydrophobicContact CG1-CB 4.03Å; V161-K181 HydrophobicContact CG1-CD 4.35Å; V161-L185 HydrophobicContact CB-CD1 4.43Å; V161-L185 HydrophobicContact CG1-CB 4.4Å; V161-L185 HydrophobicContact CG1-CD1 4.24Å
162Q86.9Confident86.8Confident74 Ų7489.8 Ų89.835%0.34643%0.431SS..Hα-helixtrans-63.8-46.9176.7-171.958.74900111.8R158 A159 H160 F164 I165 D166R158-Q162 VanDerWaalsContact O-CB 3.31Å; R158-Q162 WeakPolarHBondContact O-CB 3.26Å; R158-Q162 PolarHBondContact O-N 2.87Å; A159-Q162 WeakPolarHBondContact O-CB 3.4Å; A159-Q162 PolarHBondContact O-N 3.45Å; H160-Q162 VanDerWaalsContact C-N 3.32Å; Q162-F164 VanDerWaalsContact C-N 3.28Å; Q162-F164 PolarHBondContact O-N 3.24Å; Q162-I165 WeakPolarHBondContact O-CB 3.38Å; Q162-I165 PolarHBondContact O-N 3.23Å; Q162-I165 VanDerWaalsContact O-N 3.09Å; Q162-D166 PolarHBondContact NE2-OD1 2.97Å; Q162-D166 PolarHBondContact NE2-OD2 3.48Å; Q162-D166 VanDerWaalsContact O-CG 3.31Å; Q162-D166 PolarHBondContact O-N 2.74Å
163E89.1Confident86.4Confident127 Ų12794.6 Ų94.659%0.59345%0.451SS*.Hα-helixtrans-58.3-39.3174.9-76.6-178.6-175.800112.4A159 H160 D166 R167A159-E163 WeakPolarHBondContact O-CG 3.18Å; A159-E163 PolarHBondContact O-N 2.89Å; H160-E163 PolarHBondContact O-N 3.28Å; E163-D166 PolarHBondContact O-N 3.37Å; E163-R167 WeakPolarHBondContact O-CB 3.4Å; E163-R167 PolarHBondContact O-N 3.08Å
164F87.2Confident86Confident52 Ų5296.5 Ų96.523%0.22845%0.445CS..Hα-helixtrans-63.9-44.8175-179.2-85.6000111.5H160 V161 Q162 F168 V178 K181H160-F164 PolarHBondContact O-N 3.25Å; H160-F164 VanDerWaalsContact O-N 3.09Å; V161-F164 PolarHBondContact O-N 2.92Å; Q162-F164 VanDerWaalsContact C-N 3.28Å; Q162-F164 PolarHBondContact O-N 3.24Å; F164-F168 HydrophobicContact CD1-CD2 4.24Å; F164-F168 AromaticContact CD2-CD2 3.57Å; F164-F168 HydrophobicContact CD2-CD2 3.57Å; F164-F168 AromaticContact CD2-CE2 3.67Å; F164-F168 HydrophobicContact CD2-CE2 3.67Å; F164-F168 HydrophobicContact CE1-CD2 4.15Å; F164-F168 AromaticContact CE2-CD2 3.47Å; F164-F168 HydrophobicContact CE2-CD2 3.47Å; F164-F168 VanDerWaalsContact CE2-CD2 3.47Å; F164-F168 AromaticContact CE2-CE2 3.59Å; F164-F168 HydrophobicContact CE2-CE2 3.59Å; F164-F168 HydrophobicContact CE2-CG 4.5Å; F164-F168 AromaticContact CG-CD2 3.96Å; F164-F168 HydrophobicContact CG-CD2 3.96Å; F164-F168 HydrophobicContact CG-CE2 4.45Å; F164-F168 AromaticContact CZ-CD2 3.77Å; F164-F168 HydrophobicContact CZ-CD2 3.77Å; F164-F168 HydrophobicContact CZ-CE2 4.31Å; F164-F168 HydrophobicContact CZ-CG 4.46Å; F164-F168 WeakPolarHBondContact O-CB 3.29Å; F164-F168 WeakPolarHBondContact O-CD2 3.5Å; F164-F168 PolarHBondContact O-N 2.96Å; F164-V178 HydrophobicContact CE1-CG2 4.24Å; F164-K181 HydrophobicContact CD1-CG 4.2Å; F164-K181 HydrophobicContact CE1-CG 4.32Å
165I85.7Confident85.7Confident11 Ų1196.9 Ų96.96%0.05646%0.455CS..Hα-helixtrans-59.9-48.5177-70.2163.4000109.6V161 Q162 F168 R169 V178 K181 I182 L185V161-I165 HydrophobicContact CG1-CD1 3.9Å; V161-I165 VanDerWaalsContact O-CG1 3.29Å; V161-I165 WeakPolarHBondContact O-CG1 3.37Å; V161-I165 PolarHBondContact O-N 3.17Å; Q162-I165 WeakPolarHBondContact O-CB 3.38Å; Q162-I165 PolarHBondContact O-N 3.23Å; Q162-I165 VanDerWaalsContact O-N 3.09Å; I165-F168 PolarHBondContact O-N 3.06Å; I165-R169 WeakPolarHBondContact O-CA 3.46Å; I165-R169 VanDerWaalsContact O-CB 3.27Å; I165-R169 WeakPolarHBondContact O-CB 3.4Å; I165-R169 PolarHBondContact O-N 3.18Å; I165-V178 HydrophobicContact CB-CG1 4.48Å; I165-V178 HydrophobicContact CG1-CG1 4.38Å; I165-V178 HydrophobicContact CG2-CG1 4.07Å; I165-K181 HydrophobicContact CD1-CB 4.22Å; I165-K181 HydrophobicContact CG1-CB 4.08Å; I165-I182 HydrophobicContact CD1-CG1 3.79Å; I165-I182 HydrophobicContact CG1-CG1 4.15Å; I165-I182 HydrophobicContact CG2-CD1 4.39Å; I165-I182 HydrophobicContact CG2-CG1 4.17Å; I165-L185 HydrophobicContact CD1-CD2 4.4Å
166D87.5Confident85.5Confident83 Ų8395.5 Ų95.544%0.44446%0.46SS..Hα-helixtrans-65.7-43.6-177.4-67.1-28000112Q162 E163 F168Q162-D166 PolarHBondContact NE2-OD1 2.97Å; Q162-D166 PolarHBondContact NE2-OD2 3.48Å; Q162-D166 VanDerWaalsContact O-CG 3.31Å; Q162-D166 PolarHBondContact O-N 2.74Å; E163-D166 PolarHBondContact O-N 3.37Å; D166-F168 PolarHBondContact O-N 3.47Å
167R86.2Confident85.3Confident201 Ų20193.3 Ų93.376%0.75845%0.451SS*.Hα-helixtrans-66.3-36.9179-176.8178.5-81.4179.1-3.5112.8E163E163-R167 WeakPolarHBondContact O-CB 3.4Å; E163-R167 PolarHBondContact O-N 3.08Å
168F86.5Confident85.1Confident39 Ų3990.1 Ų90.117%0.17144%0.437CS..Hα-helixtrans-105.35.4-175.2-64.2-67.5000114.3F164 I165 D166 Y170 N171 R174 V178F164-F168 HydrophobicContact CD1-CD2 4.24Å; F164-F168 AromaticContact CD2-CD2 3.57Å; F164-F168 HydrophobicContact CD2-CD2 3.57Å; F164-F168 AromaticContact CD2-CE2 3.67Å; F164-F168 HydrophobicContact CD2-CE2 3.67Å; F164-F168 HydrophobicContact CE1-CD2 4.15Å; F164-F168 AromaticContact CE2-CD2 3.47Å; F164-F168 HydrophobicContact CE2-CD2 3.47Å; F164-F168 VanDerWaalsContact CE2-CD2 3.47Å; F164-F168 AromaticContact CE2-CE2 3.59Å; F164-F168 HydrophobicContact CE2-CE2 3.59Å; F164-F168 HydrophobicContact CE2-CG 4.5Å; F164-F168 AromaticContact CG-CD2 3.96Å; F164-F168 HydrophobicContact CG-CD2 3.96Å; F164-F168 HydrophobicContact CG-CE2 4.45Å; F164-F168 AromaticContact CZ-CD2 3.77Å; F164-F168 HydrophobicContact CZ-CD2 3.77Å; F164-F168 HydrophobicContact CZ-CE2 4.31Å; F164-F168 HydrophobicContact CZ-CG 4.46Å; F164-F168 WeakPolarHBondContact O-CB 3.29Å; F164-F168 WeakPolarHBondContact O-CD2 3.5Å; F164-F168 PolarHBondContact O-N 2.96Å; I165-F168 PolarHBondContact O-N 3.06Å; D166-F168 PolarHBondContact O-N 3.47Å; F168-Y170 PolarHBondContact O-N 3.06Å; F168-Y170 VanDerWaalsContact O-N 3.13Å; F168-N171 HydrophobicContact CD1-CB 4.39Å; F168-N171 PolarHBondContact O-N 3.35Å; F168-R174 HydrophobicContact CB-CB 4.5Å; F168-V178 HydrophobicContact CB-CG2 3.77Å
169R80.1Confident84.9Confident163 Ų16392.2 Ų92.262%0.61545%0.449SS*.THydrogen-bonded Turntrans-51.5-39.3-176.8-163.2172.5-177.1173.30.2113.6I165I165-R169 WeakPolarHBondContact O-CA 3.46Å; I165-R169 VanDerWaalsContact O-CB 3.27Å; I165-R169 WeakPolarHBondContact O-CB 3.4Å; I165-R169 PolarHBondContact O-N 3.18Å
170Y81.9Confident84.8Confident206 Ų20692.9 Ų92.981%0.80845%0.451SS*.THydrogen-bonded Turntrans-993.8-176.1-56.6-70.9000113.8F168 A172F168-Y170 PolarHBondContact O-N 3.06Å; F168-Y170 VanDerWaalsContact O-N 3.13Å; Y170-A172 PolarHBondContact O-N 3.42Å
171N82.5Confident84.7Confident66 Ų6690.5 Ų90.535%0.35344%0.439SS..  trans-90.7104.3-178.8-169.9-27.5000111.2F168 K173 R174 A175F168-N171 HydrophobicContact CD1-CB 4.39Å; F168-N171 PolarHBondContact O-N 3.35Å; N171-K173 VanDerWaalsContact C-N 3.26Å; N171-K173 PolarHBondContact O-N 3.37Å; N171-K173 PolarHBondContact OD1-N 3.14Å; N171-R174 HydrophobicContact CB-CB 4.49Å; N171-R174 PolarHBondContact O-N 3.06Å; N171-A175 PolarHBondContact O-N 2.96Å
172A78.1Confident84.6Confident92 Ų9292.5 Ų92.576%0.7645%0.449SS*.G310 helixtrans-54.9-36.2-177.300000114Y170 R174 A175Y170-A172 PolarHBondContact O-N 3.42Å; A172-R174 PolarHBondContact O-N 3.08Å; A172-A175 PolarHBondContact O-N 3.43Å
173K82.3Confident84.6Confident199 Ų19995.1 Ų95.187%0.86546%0.459SS*.G310 helixtrans-68.9-21.1179.4-70.7-175.2179.1-178.50113.2N171N171-K173 VanDerWaalsContact C-N 3.26Å; N171-K173 PolarHBondContact O-N 3.37Å; N171-K173 PolarHBondContact OD1-N 3.14Å
174R80.5Confident84.5Confident102 Ų10292.6 Ų92.639%0.38545%0.448SS..G310 helixtrans-111.66.8-176.8-67.3-172.7175.4-164.3-2.2113.5F168 N171 A172 S176 L177 V178F168-R174 HydrophobicContact CB-CB 4.5Å; N171-R174 HydrophobicContact CB-CB 4.49Å; N171-R174 PolarHBondContact O-N 3.06Å; A172-R174 PolarHBondContact O-N 3.08Å; R174-S176 VanDerWaalsContact C-N 3.28Å; R174-S176 PolarHBondContact O-N 3.14Å; R174-L177 PolarHBondContact O-N 3.32Å; R174-V178 PolarHBondContact O-N 3.42Å
175A80Confident84.4Confident51 Ų5191.8 Ų91.842%0.42145%0.447SS..Hα-helixtrans-54.5-40.9-176.800000113N171 A172 V178 Q179N171-A175 PolarHBondContact O-N 2.96Å; A172-A175 PolarHBondContact O-N 3.43Å; A175-V178 PolarHBondContact O-N 3.22Å; A175-Q179 VanDerWaalsContact O-CG 3.3Å; A175-Q179 WeakPolarHBondContact O-CG 3.37Å; A175-Q179 PolarHBondContact O-N 3.5Å
176S86Confident84.4Confident88 Ų8898.4 Ų98.462%0.61548%0.477SS*.Hα-helixtrans-63.2-41.4177.457.10000113.1R174 Q179 S180R174-S176 VanDerWaalsContact C-N 3.28Å; R174-S176 PolarHBondContact O-N 3.14Å; S176-Q179 PolarHBondContact O-N 3.24Å; S176-S180 PolarHBondContact O-N 3.03Å
177L86Confident84.4Confident92 Ų92103 Ų10348%0.48249%0.493SS..Hα-helixtrans-66.8-42.6177-69.8171.7000111.2R174 Q179 S180 K181R174-L177 PolarHBondContact O-N 3.32Å; L177-Q179 PolarHBondContact O-N 3.39Å; L177-S180 PolarHBondContact O-N 3.2Å; L177-S180 PolarHBondContact O-OG 3.14Å; L177-K181 WeakPolarHBondContact O-CG 3.23Å; L177-K181 PolarHBondContact O-N 2.85Å
178V84.8Confident84.2Confident8 Ų895.5 Ų95.55%0.04847%0.468CS..Hα-helixtrans-60.3-46.7176.1174.60000110.7F164 I165 F168 R174 A175 S180 K181 I182F164-V178 HydrophobicContact CE1-CG2 4.24Å; I165-V178 HydrophobicContact CB-CG1 4.48Å; I165-V178 HydrophobicContact CG1-CG1 4.38Å; I165-V178 HydrophobicContact CG2-CG1 4.07Å; F168-V178 HydrophobicContact CB-CG2 3.77Å; R174-V178 PolarHBondContact O-N 3.42Å; A175-V178 PolarHBondContact O-N 3.22Å; V178-S180 VanDerWaalsContact C-N 3.31Å; V178-S180 PolarHBondContact O-N 2.85Å; V178-K181 PolarHBondContact O-N 2.95Å; V178-K181 VanDerWaalsContact O-N 3.12Å; V178-I182 HydrophobicContact CG1-CD1 3.98Å; V178-I182 HydrophobicContact CG1-CG1 4.49Å; V178-I182 WeakPolarHBondContact O-CG1 3.34Å; V178-I182 PolarHBondContact O-N 3.2Å
179Q84.2Confident83.8Confident110 Ų11098 Ų9851%0.51449%0.488SS..Hα-helixtrans-60.4-39176.4-71-65-32.100112.7A175 S176 L177 K181 I182 K183A175-Q179 VanDerWaalsContact O-CG 3.3Å; A175-Q179 WeakPolarHBondContact O-CG 3.37Å; A175-Q179 PolarHBondContact O-N 3.5Å; S176-Q179 PolarHBondContact O-N 3.24Å; L177-Q179 PolarHBondContact O-N 3.39Å; Q179-K181 VanDerWaalsContact C-N 3.32Å; Q179-K181 PolarHBondContact O-N 2.98Å; Q179-I182 PolarHBondContact O-N 3.45Å; Q179-K183 WeakPolarHBondContact O-CG 3.26Å; Q179-K183 PolarHBondContact O-N 3.19Å; Q179-K183 VanDerWaalsContact O-N 3.12Å
180S86.8Confident83.5Confident58 Ų5898.9 Ų98.941%0.40650%0.499SS..Hα-helixtrans-64-37.7175.3780000112.6S176 L177 V178 M184S176-S180 PolarHBondContact O-N 3.03Å; L177-S180 PolarHBondContact O-N 3.2Å; L177-S180 PolarHBondContact O-OG 3.14Å; V178-S180 VanDerWaalsContact C-N 3.31Å; V178-S180 PolarHBondContact O-N 2.85Å; S180-M184 WeakPolarHBondContact O-CB 3.45Å; S180-M184 PolarHBondContact O-N 3.48Å
181K87.5Confident83Confident72 Ų7291 Ų9131%0.31347%0.471SS..Hα-helixtrans-72.6-36.4178.3-71.9-60.1-174.9-172.80112.4V161 F164 I165 L177 V178 Q179 M184 L185V161-K181 HydrophobicContact CG1-CB 4.03Å; V161-K181 HydrophobicContact CG1-CD 4.35Å; F164-K181 HydrophobicContact CD1-CG 4.2Å; F164-K181 HydrophobicContact CE1-CG 4.32Å; I165-K181 HydrophobicContact CD1-CB 4.22Å; I165-K181 HydrophobicContact CG1-CB 4.08Å; L177-K181 WeakPolarHBondContact O-CG 3.23Å; L177-K181 PolarHBondContact O-N 2.85Å; V178-K181 PolarHBondContact O-N 2.95Å; V178-K181 VanDerWaalsContact O-N 3.12Å; Q179-K181 VanDerWaalsContact C-N 3.32Å; Q179-K181 PolarHBondContact O-N 2.98Å; K181-M184 HydrophobicContact CD-SD 4.17Å; K181-M184 PolarHBondContact O-N 2.97Å; K181-L185 WeakPolarHBondContact O-CB 3.45Å; K181-L185 PolarHBondContact O-N 3.27Å
182I87Confident82.5Confident49 Ų4992.3 Ų92.325%0.25149%0.485SS..Hα-helixtrans-58.6-51.8171.2-67.8166.6000109.8I165 V178 Q179 M184 L185 E186I165-I182 HydrophobicContact CD1-CG1 3.79Å; I165-I182 HydrophobicContact CG1-CG1 4.15Å; I165-I182 HydrophobicContact CG2-CD1 4.39Å; I165-I182 HydrophobicContact CG2-CG1 4.17Å; V178-I182 HydrophobicContact CG1-CD1 3.98Å; V178-I182 HydrophobicContact CG1-CG1 4.49Å; V178-I182 WeakPolarHBondContact O-CG1 3.34Å; V178-I182 PolarHBondContact O-N 3.2Å; Q179-I182 PolarHBondContact O-N 3.45Å; I182-M184 VanDerWaalsContact C-N 3.28Å; I182-M184 PolarHBondContact O-N 2.73Å; I182-L185 WeakPolarHBondContact O-CB 3.22Å; I182-L185 PolarHBondContact O-N 3.27Å; I182-L185 VanDerWaalsContact O-N 3.13Å; I182-E186 WeakPolarHBondContact O-CG 3.11Å; I182-E186 PolarHBondContact O-N 2.91Å
183K86.9Confident82.2Confident128 Ų12891.6 Ų91.656%0.55747%0.472SS*.Hα-helixtrans-61.8-34.4177-70-177.9180-175.50113.3Q179 K187Q179-K183 WeakPolarHBondContact O-CG 3.26Å; Q179-K183 PolarHBondContact O-N 3.19Å; Q179-K183 VanDerWaalsContact O-N 3.12Å; K183-K187 WeakPolarHBondContact O-CG 3.39Å; K183-K187 PolarHBondContact O-N 2.98Å
184M86.6Confident81.8Confident74 Ų7483.3 Ų83.337%0.36544%0.438SS..Hα-helixtrans-66.7-43175.3-178.6-178.2172.300111H157 S180 K181 I182 K187 L188H157-M184 WeakPolarHBondContact NE2-CE 3.5Å; S180-M184 WeakPolarHBondContact O-CB 3.45Å; S180-M184 PolarHBondContact O-N 3.48Å; K181-M184 HydrophobicContact CD-SD 4.17Å; K181-M184 PolarHBondContact O-N 2.97Å; I182-M184 VanDerWaalsContact C-N 3.28Å; I182-M184 PolarHBondContact O-N 2.73Å; M184-K187 PolarHBondContact O-N 3.48Å; M184-L188 PolarHBondContact O-N 2.92Å
185L84.8Confident81.1Confident36 Ų3684 Ų8419%0.18845%0.446CS..Hα-helixtrans-63.7-40.4178.6-167.871.5000111.6R158 V161 I165 K181 I182 K187 L188R158-L185 HydrophobicContact CB-CD1 4.06Å; R158-L185 HydrophobicContact CG-CD1 3.84Å; V161-L185 HydrophobicContact CB-CD1 4.43Å; V161-L185 HydrophobicContact CG1-CB 4.4Å; V161-L185 HydrophobicContact CG1-CD1 4.24Å; I165-L185 HydrophobicContact CD1-CD2 4.4Å; K181-L185 WeakPolarHBondContact O-CB 3.45Å; K181-L185 PolarHBondContact O-N 3.27Å; I182-L185 WeakPolarHBondContact O-CB 3.22Å; I182-L185 PolarHBondContact O-N 3.27Å; I182-L185 VanDerWaalsContact O-N 3.13Å; L185-K187 VanDerWaalsContact C-N 3.28Å; L185-K187 PolarHBondContact O-N 2.97Å; L185-L188 HydrophobicContact CD1-CD1 4.25Å; L185-L188 PolarHBondContact O-N 3.36Å
186E85.8Confident80.4Confident149 Ų14986.4 Ų86.470%0.69646%0.455SS*.Hα-helixtrans-64.6-28.2175.4-71.8172174.500113.4I182I182-E186 WeakPolarHBondContact O-CG 3.11Å; I182-E186 PolarHBondContact O-N 2.91Å
187K87.4Confident79.6Confident181 Ų18186.5 Ų86.579%0.78745%0.449SS*.Hα-helixtrans-84.9-15.2179.2-75.7-178.8179.4-169.10114.1K183 M184 L185K183-K187 WeakPolarHBondContact O-CG 3.39Å; K183-K187 PolarHBondContact O-N 2.98Å; M184-K187 PolarHBondContact O-N 3.48Å; L185-K187 VanDerWaalsContact C-N 3.28Å; L185-K187 PolarHBondContact O-N 2.97Å
188L82.1Confident78.8Confident42 Ų4287.2 Ų87.222%0.2246%0.462CS..SBendtrans-66.1136.1178.2-73.2173000109.1R158 M184 L185R158-L188 HydrophobicContact CG-CD1 3.93Å; R158-L188 PolarHBondContact NH2-O 3.06Å; M184-L188 PolarHBondContact O-N 2.92Å; L185-L188 HydrophobicContact CD1-CD1 4.25Å; L185-L188 PolarHBondContact O-N 3.36Å
189P78.3Confident78.3Confident91 Ų9192.1 Ų92.159%0.59149%0.493SS*.PPolyproline II helixtrans-56.5144177.624-32.7000109.8Q154 R158 L191Q154-P189 PolarHBondContact NE2-O 3.38Å; R158-P189 PolarHBondContact NH2-O 3.02Å; P189-L191 PolarHBondContact O-N 3.33Å
190E74.4Confident78.2Confident182 Ų18288.4 Ų88.485%0.8548%0.479SS*.PPolyproline II helixtrans-53131.5179.8-71.1-174.3175.400110.5S192E190-S192 PolarHBondContact O-N 2.89Å; E190-S192 VanDerWaalsContact O-N 3.08Å
191L71.1Confident78Confident42 Ų4289.1 Ų89.122%0.2248%0.48CS..  trans-79.991.7-178.1-173.482.3000107.8Y151 Q154 K155 P189Y151-L191 HydrophobicContact CD2-CD1 3.51Å; Y151-L191 HydrophobicContact CD2-CD2 4.04Å; Y151-L191 HydrophobicContact CD2-CG 3.56Å; Y151-L191 HydrophobicContact CE2-CD1 3.8Å; Y151-L191 HydrophobicContact CE2-CD2 3.42Å; Y151-L191 VanDerWaalsContact CE2-CD2 3.42Å; Y151-L191 HydrophobicContact CE2-CG 3.31Å; Y151-L191 HydrophobicContact CG-CD1 4.24Å; Q154-L191 HydrophobicContact CB-CD1 3.74Å; Q154-L191 HydrophobicContact CG-CD1 3.85Å; K155-L191 HydrophobicContact CB-CD2 4.16Å; K155-L191 HydrophobicContact CG-CD2 4.49Å; P189-L191 PolarHBondContact O-N 3.33Å
192S71.2Confident78.1Confident93 Ų9386.2 Ų86.265%0.6547%0.468SS*.  trans-78.3124.9168.752.70000109.1Y151 E190Y151-S192 VanDerWaalsContact CD2-O 3.28Å; Y151-S192 WeakPolarHBondContact CD2-O 3.32Å; E190-S192 PolarHBondContact O-N 2.89Å; E190-S192 VanDerWaalsContact O-N 3.08Å
193P72.4Confident78.4Confident76 Ų7689.5 Ų89.549%0.49448%0.48SS..  trans-57.3143.1170.126-32.1000110.1Y151 E195Y151-P193 HydrophobicContact CE2-CB 4.07Å; P193-E195 PolarHBondContact O-N 3.49Å; P193-E195 VanDerWaalsContact O-N 3.11Å
194V73.2Confident78.7Confident25 Ų2584 Ų8415%0.15246%0.456CS..  trans-65.2113.3166.1-1760000106.4L144 Q147 Q148 V196L144-V194 HydrophobicContact CD2-CG1 3.84Å; Q147-V194 HydrophobicContact CB-CG2 3.73Å; Q148-V194 HydrophobicContact CB-CG2 4.41Å; V194-V196 HydrophobicContact CG1-CG2 4.03Å; V194-V196 PolarHBondContact O-N 3.48Å
195E66.6Low78.8Confident116 Ų11680.7 Ų80.754%0.54244%0.441SS..  trans-75.993.2175.9-68.3179.4174.400107.5N123 P193N123-E195 PolarHBondContact ND2-OE2 3.12Å; P193-E195 PolarHBondContact O-N 3.49Å; P193-E195 VanDerWaalsContact O-N 3.11Å
196V66Low79.1Confident102 Ų10283.2 Ų83.262%0.61846%0.459SS*.PPolyproline II helixtrans-86.6127.1170.2-171.70000107.1V194 S198V194-V196 HydrophobicContact CG1-CG2 4.03Å; V194-V196 PolarHBondContact O-N 3.48Å; V196-S198 PolarHBondContact O-N 3.33Å
197D69Low79.2Confident91 Ų9177 Ų7749%0.48743%0.432SS..PPolyproline II helixtrans-52.8136.9171.5-69.3-48.1000109.6H122H122-D197 IonicContact CE1-OD1 3.79Å; H122-D197 IonicContact CE1-OD2 3.95Å
198S68.7Low79.2Confident107 Ų10775.7 Ų75.775%0.74843%0.429SS*.PPolyproline II helixtrans-60.2128.7177.8-68.90000109V196 V200V196-S198 PolarHBondContact O-N 3.33Å; S198-V200 PolarHBondContact O-N 2.87Å
199P74.3Confident79.6Confident110 Ų11078.7 Ų78.771%0.71445%0.453SS*.PPolyproline II helixtrans-59.7132.8-177.824-33.2000109.3V201P199-V201 PolarHBondContact O-N 2.83Å; P199-V201 VanDerWaalsContact O-N 3.16Å
200V81.9Confident80.2Confident33 Ų3375.1 Ų75.120%0.243%0.429CS..  trans-68.8115.2172.8-177.20000107.5S198 I202 E367 T368 A371S198-V200 PolarHBondContact O-N 2.87Å; V200-I202 HydrophobicContact CG1-CG1 4.33Å; V200-E367 HydrophobicContact CG2-CB 4.03Å; V200-T368 HydrophobicContact CG1-CG2 4.14Å; V200-A371 HydrophobicContact CB-CB 3.93Å; V200-A371 HydrophobicContact CG1-CB 3.83Å; V200-A371 WeakPolarHBondContact O-CB 3.28Å
201V82.1Confident80.9Confident72 Ų7272.5 Ų72.544%0.43642%0.421SS..  trans-99.8122.2178.8-175.40000108.4P199 F320 G321P199-V201 PolarHBondContact O-N 2.83Å; P199-V201 VanDerWaalsContact O-N 3.16Å; V201-F320 CarbonylContact O-C 3.54Å; V201-F320 WeakPolarHBondContact O-CA 3.43Å; V201-G321 PolarHBondContact O-N 2.82Å
202I91.1Very high81.7Confident12 Ų1275.2 Ų75.26%0.06244%0.441CS..  trans-126.8123.1169.1-63.2-177.8000106.5V200 F204 R319 F320 R341 T368 A371 L372 A375V200-I202 HydrophobicContact CG1-CG1 4.33Å; I202-F204 HydrophobicContact CG2-CE2 4.23Å; I202-F204 HydrophobicContact CG2-CZ 4.48Å; I202-R319 CarbonylContact C-O 3.58Å; I202-F320 HydrophobicContact CB-CD1 4.31Å; I202-F320 HydrophobicContact CG1-CD1 4.32Å; I202-F320 HydrophobicContact CG2-CD1 3.75Å; I202-F320 HydrophobicContact CG2-CE1 3.54Å; I202-R341 HydrophobicContact CD1-CG 4.32Å; I202-R341 HydrophobicContact CG1-CG 4.41Å; I202-T368 HydrophobicContact CD1-CG2 3.87Å; I202-A371 HydrophobicContact CB-CB 4.36Å; I202-A371 HydrophobicContact CD1-CB 4.05Å; I202-A371 HydrophobicContact CG1-CB 4.02Å; I202-L372 HydrophobicContact CD1-CB 4.01Å; I202-L372 HydrophobicContact CG2-CD1 4.46Å; I202-A375 HydrophobicContact CB-CB 3.9Å; I202-A375 HydrophobicContact CG2-CB 3.45Å; I202-A375 VanDerWaalsContact CG2-CB 3.45Å; I202-A375 WeakPolarHBondContact O-CB 3.39Å
203K92.1Very high82.5Confident117 Ų11774 Ų7451%0.50943%0.431SS..  trans-141.6111.3179-170.7171.2-174.9170.70111.3R319K203-R319 HydrophobicContact CB-CB 4.27Å; K203-R319 PolarHBondContact N-O 2.9Å; K203-R319 WeakPolarHBondContact O-CB 3.47Å
204F93.2Very high83.4Confident12 Ų1270.4 Ų70.45%0.05341%0.408CS..PPolyproline II helixtrans-72.5141.4170.1-64.2-73.1000110.3I202 F320 F344 L355 L372 A375 L376 F379I202-F204 HydrophobicContact CG2-CE2 4.23Å; I202-F204 HydrophobicContact CG2-CZ 4.48Å; F204-F320 HydrophobicContact CD1-CE1 4.46Å; F204-F320 AromaticContact CD1-CZ 4Å; F204-F320 HydrophobicContact CD1-CZ 4Å; F204-F320 HydrophobicContact CE1-CE1 4.11Å; F204-F320 HydrophobicContact CE1-CZ 4.02Å; F204-F320 HydrophobicContact CZ-CE1 4.38Å; F204-F344 HydrophobicContact CE1-CB 4.4Å; F204-F344 HydrophobicContact CZ-CD1 4.24Å; F204-L355 HydrophobicContact CD1-CD1 4.07Å; F204-L355 HydrophobicContact CD2-CD1 3.99Å; F204-L355 HydrophobicContact CE1-CD1 4.08Å; F204-L355 HydrophobicContact CE2-CD1 4Å; F204-L355 HydrophobicContact CG-CD1 4.03Å; F204-L355 HydrophobicContact CZ-CD1 4.05Å; F204-L372 HydrophobicContact CE2-CD1 4.19Å; F204-L372 HydrophobicContact CZ-CD1 4.24Å; F204-A375 HydrophobicContact CD2-CB 3.89Å; F204-A375 HydrophobicContact CE2-CB 3.92Å; F204-L376 HydrophobicContact CD2-CD2 4.24Å; F204-L376 HydrophobicContact CE2-CD2 3.62Å; F204-L376 HydrophobicContact CE2-CG 4.2Å; F204-L376 HydrophobicContact CZ-CD2 4.27Å; F204-F379 HydrophobicContact CB-CD2 3.61Å; F204-F379 HydrophobicContact CB-CE2 4.2Å; F204-F379 HydrophobicContact CB-CG 4.39Å; F204-F379 HydrophobicContact CG-CD2 4.34Å
205P90.2Very high84.5Confident6 Ų669.2 Ų69.24%0.03940%0.4CS..PPolyproline II helixtrans-68.5152.3177.128.8-35000110.8S348 K351P205-S348 WeakPolarHBondContact CG-O 3.46Å; P205-K351 HydrophobicContact CB-CG 4.24Å; P205-K351 HydrophobicContact CG-CB 4.45Å; P205-K351 HydrophobicContact CG-CG 4.04Å
206P89.3Confident85.8Confident88 Ų8866 Ų6657%0.57139%0.385SS*.PPolyproline II helixtrans-62.2147.9171.128.1-34.4000110.1
207C89.1Confident87.3Confident19 Ų1961.3 Ų61.313%0.12836%0.357CS..  trans-123.1159.6-177.970.20000110.6P352C207-P352 VanDerWaalsContact CB-O 3.27Å; C207-P352 WeakPolarHBondContact CB-O 3.17Å
208E88Confident88.5Confident153 Ų15360.2 Ų60.272%0.71535%0.349SS*.  trans-72.7135.8175.7-68.7172.9-170.400109.9N353E208-N353 PolarHBondContact O-ND2 3.21Å
209S88.8Confident89.8Confident106 Ų10659.1 Ų59.174%0.74133%0.334SS*.  trans-69.6137.3174.3-171.30000110.5
210L91.3Very high90.7Very high15 Ų1554 Ų548%0.07930%0.301CS..  trans-117.3143.5-178.2-63.1180000110I214 M240 L277 L278 N353L210-I214 HydrophobicContact CB-CD1 3.5Å; L210-I214 VanDerWaalsContact CB-CD1 3.5Å; L210-I214 HydrophobicContact CD1-CD1 4.48Å; L210-M240 HydrophobicContact CB-CG 4.36Å; L210-M240 HydrophobicContact CB-SD 4.32Å; L210-L277 HydrophobicContact CD2-CB 4.03Å; L210-L278 HydrophobicContact CD1-CB 4.34Å; L210-L278 HydrophobicContact CD1-CD1 4.03Å; L210-N353 HydrophobicContact CD1-CB 3.87Å
211N89.2Confident91.3Very high127 Ų12753.7 Ų53.768%0.67930%0.3SS*.PPolyproline II helixtrans-78.8140176.9-68-31000110.9I214 H275N211-I214 VanDerWaalsContact O-CD1 3.3Å; N211-I214 WeakPolarHBondContact O-CD1 3.42Å; N211-H275 PolarHBondContact O-CD2 3.02Å; N211-H275 VanDerWaalsContact O-CD2 3.27Å
212P87.8Confident91.9Very high100 Ų10051 Ų5165%0.64928%0.283SS*.SBendtrans-59.1154.3172.7-23.633.7000113
213P87.6Confident91.9Very high66 Ų6652.9 Ų52.943%0.42929%0.291SS..PPolyproline II helixcis-82.1140.9-1.231.5-33.4000113.3Q216 H275P213-Q216 HydrophobicContact CB-CG 3.79Å; P213-Q216 VanDerWaalsContact CB-NE2 3.3Å; P213-H275 WeakPolarHBondContact O-CB 3.49Å
214I92.6Very high91.7Very high2 Ų253.7 Ų53.71%0.0129%0.292CS..  trans-94.4-60.1-177.7-51.5-59000111.6L210 N211 A238 M240 L274 H275 L278 F354L210-I214 HydrophobicContact CB-CD1 3.5Å; L210-I214 VanDerWaalsContact CB-CD1 3.5Å; L210-I214 HydrophobicContact CD1-CD1 4.48Å; N211-I214 VanDerWaalsContact O-CD1 3.3Å; N211-I214 WeakPolarHBondContact O-CD1 3.42Å; I214-A238 WeakPolarHBondContact CB-O 3.43Å; I214-M240 HydrophobicContact CD1-CG 4.26Å; I214-M240 HydrophobicContact CG1-CG 4.19Å; I214-L274 CarbonylContact O-C 3.56Å; I214-L274 WeakPolarHBondContact O-CA 3.35Å; I214-H275 HydrophobicContact CD1-CB 4.27Å; I214-H275 PolarHBondContact O-N 3.45Å; I214-L278 HydrophobicContact CG2-CD1 3.54Å; I214-L278 HydrophobicContact CG2-CD2 3.85Å; I214-L278 HydrophobicContact CG2-CG 4.26Å; I214-F354 HydrophobicContact CG2-CD2 4.42Å
215I95.2Very high91.3Very high0 Ų055.8 Ų55.80%031%0.311CS..EExtended strand (participates in β ladder)trans-126.9125.8175.7-52.8-171000107.6F236 T237 A238 I261 L274 L278 F354I215-F236 HydrophobicContact CG2-CD1 4.38Å; I215-F236 HydrophobicContact CG2-CE1 4.15Å; I215-T237 VanDerWaalsContact O-CA 3.29Å; I215-T237 WeakPolarHBondContact O-CA 3.48Å; I215-A238 HydrophobicContact CB-CB 4.19Å; I215-A238 PolarHBondContact N-O 3Å; I215-A238 VanDerWaalsContact N-O 3.15Å; I215-A238 PolarHBondContact O-N 3.27Å; I215-I261 HydrophobicContact CD1-CG2 3.82Å; I215-I261 HydrophobicContact CG2-CG2 3.88Å; I215-L274 HydrophobicContact CB-CD2 4.09Å; I215-L274 HydrophobicContact CG1-CD2 3.9Å; I215-L274 HydrophobicContact CG2-CD2 3.86Å; I215-L278 HydrophobicContact CD1-CD2 4.37Å; I215-L278 HydrophobicContact CG1-CD2 3.9Å; I215-F354 HydrophobicContact CD1-CD1 3.82Å; I215-F354 HydrophobicContact CD1-CD2 3.85Å; I215-F354 HydrophobicContact CD1-CE1 3.72Å; I215-F354 HydrophobicContact CD1-CE2 3.74Å; I215-F354 HydrophobicContact CD1-CG 3.89Å; I215-F354 HydrophobicContact CD1-CZ 3.68Å; I215-F354 HydrophobicContact CG1-CD2 4.45Å; I215-F354 HydrophobicContact CG1-CE2 4.37Å
216Q95.4Very high90.8Very high47 Ų4764.3 Ų64.322%0.2235%0.348CS..EExtended strand (participates in β ladder)trans-136.5129.8172.9-64-178.8-42.400110.5P213 F236 T237 R273P213-Q216 HydrophobicContact CB-CG 3.79Å; P213-Q216 VanDerWaalsContact CB-NE2 3.3Å; Q216-F236 CarbonylContact C-O 3.55Å; Q216-F236 WeakPolarHBondContact CA-O 3.41Å; Q216-T237 HydrophobicContact CG-CG2 4.07Å; Q216-R273 HydrophobicContact CB-CB 4.31Å; Q216-R273 PolarHBondContact N-O 3.34Å; Q216-R273 PolarHBondContact O-N 3.01Å
217L95.6Very high90.3Very high4 Ų468.7 Ų68.72%0.02136%0.361CS..EExtended strand (participates in β ladder)trans-116.3122.1167.1-56.7-178.1000107.4V220 N235 F236 F257 I261 E271 R272L217-V220 HydrophobicContact CB-CB 4.3Å; L217-V220 HydrophobicContact CB-CG2 3.83Å; L217-V220 HydrophobicContact CD2-CG2 4.26Å; L217-N235 WeakPolarHBondContact O-CA 3.46Å; L217-F236 HydrophobicContact CB-CB 4.17Å; L217-F236 HydrophobicContact CD1-CB 4.22Å; L217-F236 HydrophobicContact CD1-CD1 4.16Å; L217-F236 HydrophobicContact CG-CB 4.39Å; L217-F236 HydrophobicContact CG-CD1 4.33Å; L217-F236 PolarHBondContact N-O 3.46Å; L217-F236 PolarHBondContact O-N 2.74Å; L217-F257 HydrophobicContact CD1-CD2 4.37Å; L217-F257 HydrophobicContact CD1-CE2 3.76Å; L217-F257 HydrophobicContact CD1-CZ 4.47Å; L217-I261 HydrophobicContact CD1-CG1 3.92Å; L217-E271 WeakPolarHBondContact CA-O 3.48Å; L217-R272 HydrophobicContact CD2-CB 3.76Å; L217-R272 HydrophobicContact CD2-CG 3.67Å
218E95.2Very high89.9Confident69 Ų6977.2 Ų77.232%0.32239%0.39SS..EExtended strand (participates in β ladder)trans-115.3118.3179.1-69.9179.2-169.400109.6V220 G270 E271 R273E218-V220 PolarHBondContact O-N 3.49Å; E218-V220 VanDerWaalsContact O-N 3.13Å; E218-G270 CarbonylContact O-C 3.47Å; E218-G270 WeakPolarHBondContact O-CA 3.09Å; E218-E271 PolarHBondContact N-O 3.47Å; E218-E271 PolarHBondContact O-N 3.41Å; E218-R273 IonicContact OE1-CZ 3.69Å; E218-R273 IonicContact OE1-NH1 2.83Å; E218-R273 PolarHBondContact OE1-NH1 3.44Å; E218-R273 IonicContact OE2-CZ 3.77Å; E218-R273 IonicContact OE2-NH1 3.54Å; E218-R273 IonicContact OE2-NH2 3.53Å
219N95.3Very high89.7Confident83 Ų8372.4 Ų72.444%0.44437%0.372SS..EExtended strand (participates in β ladder)trans50.935.7177.7-56.7-52.6000114.2S221 N233 V234 N235 G270N219-S221 PolarHBondContact O-N 3.19Å; N219-N233 VanDerWaalsContact CA-OD1 3.28Å; N219-N233 WeakPolarHBondContact CA-OD1 3.14Å; N219-N233 VanDerWaalsContact CB-OD1 3.25Å; N219-N233 WeakPolarHBondContact CB-OD1 3.28Å; N219-N233 PolarHBondContact OD1-OD1 2.83Å; N219-V234 PolarHBondContact N-O 3.45Å; N219-N235 PolarHBondContact N-OD1 2.88Å; N219-N235 PolarHBondContact OD1-ND2 2.81Å; N219-N235 PolarHBondContact OD1-OD1 3.27Å; N219-G270 WeakPolarHBondContact O-CA 3.15Å
220V94.4Very high89.7Confident2 Ų268.8 Ų68.81%0.01235%0.345CS..EExtended strand (participates in β ladder)trans-73.3127.5-172.1166.90000111.1L217 E218 N233 V234 L260 P267 K269 E271L217-V220 HydrophobicContact CB-CB 4.3Å; L217-V220 HydrophobicContact CB-CG2 3.83Å; L217-V220 HydrophobicContact CD2-CG2 4.26Å; E218-V220 PolarHBondContact O-N 3.49Å; E218-V220 VanDerWaalsContact O-N 3.13Å; V220-N233 PolarHBondContact O-N 2.91Å; V220-V234 HydrophobicContact CB-CB 4.43Å; V220-V234 PolarHBondContact N-O 3.24Å; V220-V234 PolarHBondContact O-N 2.86Å; V220-L260 HydrophobicContact CG1-CD1 4.31Å; V220-P267 HydrophobicContact CG1-CB 3.83Å; V220-P267 HydrophobicContact CG2-CB 4.32Å; V220-K269 CarbonylContact C-O 3.58Å; V220-K269 VanDerWaalsContact CA-O 3.26Å; V220-K269 WeakPolarHBondContact CA-O 3.36Å; V220-E271 WeakPolarHBondContact CG2-O 3.39Å
221S93.9Very high89.8Confident27 Ų2768.1 Ų68.119%0.18934%0.342CS..EExtended strand (participates in β ladder)trans-128.8142.4172.4-52.20000110.6N219 L231 N233 V268 K269N219-S221 PolarHBondContact O-N 3.19Å; S221-L231 CarbonylContact C-O 3.52Å; S221-L231 VanDerWaalsContact CA-O 3.29Å; S221-L231 WeakPolarHBondContact CA-O 3.38Å; S221-N233 PolarHBondContact OG-N 3.47Å; S221-V268 WeakPolarHBondContact O-CB 3.45Å; S221-V268 PolarHBondContact O-N 3.28Å; S221-K269 PolarHBondContact N-O 2.62Å; S221-K269 PolarHBondContact O-N 2.95Å
222F94.3Very high89.9Confident17 Ų1768.7 Ų68.78%0.07534%0.335CS..EExtended strand (participates in β ladder)trans-144.6144.8-177.8-175.9-93.9000112.4Y224 V230 L231 T256 L260 L265 D266 V268F222-Y224 AromaticContact CE1-CD1 3.79Å; F222-Y224 HydrophobicContact CE1-CD1 3.79Å; F222-Y224 HydrophobicContact CE1-CD2 4.04Å; F222-Y224 AromaticContact CE1-CE1 3.69Å; F222-Y224 HydrophobicContact CE1-CE1 3.69Å; F222-Y224 AromaticContact CE1-CE2 3.94Å; F222-Y224 HydrophobicContact CE1-CE2 3.94Å; F222-Y224 AromaticContact CE1-CG 3.96Å; F222-Y224 HydrophobicContact CE1-CG 3.96Å; F222-Y224 AromaticContact CE1-CZ 3.76Å; F222-Y224 AromaticContact CZ-CD1 3.97Å; F222-Y224 HydrophobicContact CZ-CD1 3.97Å; F222-Y224 AromaticContact CZ-CE1 3.91Å; F222-Y224 HydrophobicContact CZ-CE1 3.91Å; F222-Y224 HydrophobicContact CZ-CG 4.5Å; F222-V230 PolarHBondContact O-N 3.04Å; F222-L231 PolarHBondContact N-O 3.4Å; F222-L231 PolarHBondContact O-N 2.99Å; F222-L231 VanDerWaalsContact O-N 3.13Å; F222-T256 HydrophobicContact CD1-CG2 3.42Å; F222-T256 VanDerWaalsContact CD1-CG2 3.42Å; F222-T256 HydrophobicContact CE1-CG2 3.7Å; F222-T256 HydrophobicContact CG-CG2 4.36Å; F222-L260 HydrophobicContact CB-CD1 3.75Å; F222-L260 HydrophobicContact CB-CD2 4.25Å; F222-L260 HydrophobicContact CD2-CD2 3.9Å; F222-L260 HydrophobicContact CG-CD1 4.13Å; F222-L260 HydrophobicContact CG-CD2 4.16Å; F222-L265 HydrophobicContact CE1-CD1 4.01Å; F222-L265 HydrophobicContact CE2-CB 4.05Å; F222-L265 HydrophobicContact CE2-CD1 4.42Å; F222-L265 HydrophobicContact CE2-CD2 4.45Å; F222-L265 HydrophobicContact CZ-CB 4.28Å; F222-L265 HydrophobicContact CZ-CD1 3.86Å; F222-L265 HydrophobicContact CZ-CD2 4.02Å; F222-L265 HydrophobicContact CZ-CG 4.28Å; F222-D266 VanDerWaalsContact CD2-O 3.28Å; F222-D266 WeakPolarHBondContact CD2-O 3.03Å; F222-D266 WeakPolarHBondContact CE2-O 3.45Å; F222-V268 HydrophobicContact CD2-CG2 4.26Å
223H91.3Very high90.1Very high50 Ų5068.5 Ų68.523%0.23133%0.328CS..EExtended strand (participates in β ladder)trans-146.6136.8174.464.356.8000110.4A225H223-A225 WeakPolarHBondContact CB-O 3.36Å
224Y88.1Confident90.4Very high135 Ų13565.5 Ų65.553%0.52931%0.308SS..EExtended strand (participates in β ladder)trans-73.6-37.2169.7-68.9-72.4000111.3F222 V230 T256 L265F222-Y224 AromaticContact CE1-CD1 3.79Å; F222-Y224 HydrophobicContact CE1-CD1 3.79Å; F222-Y224 HydrophobicContact CE1-CD2 4.04Å; F222-Y224 AromaticContact CE1-CE1 3.69Å; F222-Y224 HydrophobicContact CE1-CE1 3.69Å; F222-Y224 AromaticContact CE1-CE2 3.94Å; F222-Y224 HydrophobicContact CE1-CE2 3.94Å; F222-Y224 AromaticContact CE1-CG 3.96Å; F222-Y224 HydrophobicContact CE1-CG 3.96Å; F222-Y224 AromaticContact CE1-CZ 3.76Å; F222-Y224 AromaticContact CZ-CD1 3.97Å; F222-Y224 HydrophobicContact CZ-CD1 3.97Å; F222-Y224 AromaticContact CZ-CE1 3.91Å; F222-Y224 HydrophobicContact CZ-CE1 3.91Å; F222-Y224 HydrophobicContact CZ-CG 4.5Å; Y224-V230 HydrophobicContact CD2-CG2 3.81Å; Y224-V230 HydrophobicContact CE2-CG2 4.2Å; Y224-T256 HydrophobicContact CE2-CG2 4Å; Y224-T256 WeakPolarHBondContact CE2-OG1 3.42Å; Y224-T256 PolarHBondContact OH-OG1 3.23Å; Y224-L265 HydrophobicContact CE1-CD1 4.21Å; Y224-L265 HydrophobicContact CE1-CD2 4.41Å; Y224-L265 WeakPolarHBondContact OH-CD1 3.36Å
225A84.8Confident90.4Very high55 Ų5569.8 Ų69.846%0.45533%0.331SS..EExtended strand (participates in β ladder)trans-129.5139.5173.600000108.7H223 E227 R228H223-A225 WeakPolarHBondContact CB-O 3.36Å; A225-E227 PolarHBondContact O-N 3.5Å; A225-R228 CarbonylContact O-C 3.6Å; A225-R228 PolarHBondContact O-N 2.99Å
226K79.3Confident90.4Very high186 Ų18670.4 Ų70.481%0.80933%0.334SS*.THydrogen-bonded Turntrans-52.2-31.5-173.9-74.1-179.7172.5177.40113.8R228K226-R228 VanDerWaalsContact C-N 3.34Å
227E78.9Confident90.3Very high180 Ų18072.6 Ų72.684%0.84135%0.351SS*.THydrogen-bonded Turntrans-79-14.9-177.5-60.5-177.7-179.900113.9A225A225-E227 PolarHBondContact O-N 3.5Å
228R80.5Confident90.3Very high198 Ų19872.8 Ų72.875%0.74735%0.353SS*.EExtended strand (participates in β ladder)trans-129.780.9-175.3-63.8-174.3-173.5-174.50.8110.5A225 K226 V230A225-R228 CarbonylContact O-C 3.6Å; A225-R228 PolarHBondContact O-N 2.99Å; K226-R228 VanDerWaalsContact C-N 3.34Å; R228-V230 PolarHBondContact O-N 3.24Å
229P85Confident90.2Very high52 Ų5272.6 Ų72.634%0.33835%0.354SS..EExtended strand (participates in β ladder)trans-63.1124.5172.728-35.4000110.4R232P229-R232 HydrophobicContact CB-CG 4.09Å; P229-R232 VanDerWaalsContact CG-NE 3.3Å; P229-R232 VanDerWaalsContact CG-NH2 3.27Å
230V88.5Confident90Very high29 Ų2969.4 Ų69.418%0.17634%0.337CS..EExtended strand (participates in β ladder)trans-88-39.1179.3-1780000110.2F222 Y224 R228 T256 G406F222-V230 PolarHBondContact O-N 3.04Å; Y224-V230 HydrophobicContact CD2-CG2 3.81Å; Y224-V230 HydrophobicContact CE2-CG2 4.2Å; R228-V230 PolarHBondContact O-N 3.24Å; V230-T256 HydrophobicContact CG1-CG2 4.04Å; V230-G406 WeakPolarHBondContact O-CA 3.28Å
231L92.2Very high89.9Confident1 Ų176.7 Ų76.71%0.00537%0.371CS..EExtended strand (participates in β ladder)trans-135.2139178.1-65.6170.6000110.1S221 F222 V234 T256 F257 L260 I403 G406 V408S221-L231 CarbonylContact C-O 3.52Å; S221-L231 VanDerWaalsContact CA-O 3.29Å; S221-L231 WeakPolarHBondContact CA-O 3.38Å; F222-L231 PolarHBondContact N-O 3.4Å; F222-L231 PolarHBondContact O-N 2.99Å; F222-L231 VanDerWaalsContact O-N 3.13Å; L231-V234 HydrophobicContact CB-CG2 3.95Å; L231-V234 HydrophobicContact CD2-CG2 4.29Å; L231-T256 HydrophobicContact CD1-CG2 4.47Å; L231-F257 HydrophobicContact CD1-CB 3.86Å; L231-F257 HydrophobicContact CD1-CD2 4.2Å; L231-L260 HydrophobicContact CD1-CD1 3.49Å; L231-L260 VanDerWaalsContact CD1-CD1 3.49Å; L231-I403 HydrophobicContact CD2-CD1 4.31Å; L231-I403 HydrophobicContact CD2-CG2 3.93Å; L231-G406 CarbonylContact C-O 3.56Å; L231-G406 WeakPolarHBondContact CA-O 3.24Å; L231-V408 HydrophobicContact CD2-CG2 4.16Å
232R91.7Very high90Very high140 Ų14075.6 Ų75.653%0.52836%0.363SS..EExtended strand (participates in β ladder)trans-131.7123.4-175.1-58.4179.9-171.2-178.53.6109.9P229 V234 G406P229-R232 HydrophobicContact CB-CG 4.09Å; P229-R232 VanDerWaalsContact CG-NE 3.3Å; P229-R232 VanDerWaalsContact CG-NH2 3.27Å; R232-V234 VanDerWaalsContact C-N 3.3Å; R232-V234 PolarHBondContact O-N 2.87Å; R232-G406 PolarHBondContact N-O 3.03Å
233N91.9Very high90.1Very high96 Ų9675.9 Ų75.951%0.51336%0.364SS..EExtended strand (participates in β ladder)trans48.146.6171.9-157.632000114.9N219 V220 S221 N235N219-N233 VanDerWaalsContact CA-OD1 3.28Å; N219-N233 WeakPolarHBondContact CA-OD1 3.14Å; N219-N233 VanDerWaalsContact CB-OD1 3.25Å; N219-N233 WeakPolarHBondContact CB-OD1 3.28Å; N219-N233 PolarHBondContact OD1-OD1 2.83Å; V220-N233 PolarHBondContact O-N 2.91Å; S221-N233 PolarHBondContact OG-N 3.47Å; N233-N235 PolarHBondContact O-N 2.91Å
234V93.6Very high90.3Very high2 Ų273.6 Ų73.61%0.01235%0.353CS..EExtended strand (participates in β ladder)trans-78121.1-176.7178.80000109.6N219 V220 L231 R232 F236 F257 V408N219-V234 PolarHBondContact N-O 3.45Å; V220-V234 HydrophobicContact CB-CB 4.43Å; V220-V234 PolarHBondContact N-O 3.24Å; V220-V234 PolarHBondContact O-N 2.86Å; L231-V234 HydrophobicContact CB-CG2 3.95Å; L231-V234 HydrophobicContact CD2-CG2 4.29Å; R232-V234 VanDerWaalsContact C-N 3.3Å; R232-V234 PolarHBondContact O-N 2.87Å; V234-F236 HydrophobicContact CG1-CB 4.34Å; V234-F257 HydrophobicContact CG1-CD2 4.29Å; V234-F257 HydrophobicContact CG1-CE2 3.75Å; V234-V408 HydrophobicContact CB-CG2 4.36Å; V234-V408 HydrophobicContact CG1-CB 3.96Å; V234-V408 HydrophobicContact CG1-CG2 3.67Å; V234-V408 HydrophobicContact CG2-CB 4.42Å; V234-V408 HydrophobicContact CG2-CG2 3.72Å
235N93.5Very high90.6Very high92 Ų9267.1 Ų67.149%0.49233%0.328SS..EExtended strand (participates in β ladder)trans-109.7120.9169.2-69-67.1000108L217 N219 N233L217-N235 WeakPolarHBondContact O-CA 3.46Å; N219-N235 PolarHBondContact N-OD1 2.88Å; N219-N235 PolarHBondContact OD1-ND2 2.81Å; N219-N235 PolarHBondContact OD1-OD1 3.27Å; N233-N235 PolarHBondContact O-N 2.91Å
236F94.6Very high91.1Very high13 Ų1364.5 Ų64.56%0.05731%0.306CS..EExtended strand (participates in β ladder)trans-146.8136-175.4172.8-109.6000110.5I215 Q216 L217 V234 A238 I244 F257 I261 I384 L401I215-F236 HydrophobicContact CG2-CD1 4.38Å; I215-F236 HydrophobicContact CG2-CE1 4.15Å; Q216-F236 CarbonylContact C-O 3.55Å; Q216-F236 WeakPolarHBondContact CA-O 3.41Å; L217-F236 HydrophobicContact CB-CB 4.17Å; L217-F236 HydrophobicContact CD1-CB 4.22Å; L217-F236 HydrophobicContact CD1-CD1 4.16Å; L217-F236 HydrophobicContact CG-CB 4.39Å; L217-F236 HydrophobicContact CG-CD1 4.33Å; L217-F236 PolarHBondContact N-O 3.46Å; L217-F236 PolarHBondContact O-N 2.74Å; V234-F236 HydrophobicContact CG1-CB 4.34Å; F236-A238 HydrophobicContact CE1-CB 4.02Å; F236-A238 HydrophobicContact CZ-CB 3.71Å; F236-I244 HydrophobicContact CE2-CD1 3.71Å; F236-I244 HydrophobicContact CZ-CD1 3.63Å; F236-F257 HydrophobicContact CB-CE2 4.3Å; F236-F257 HydrophobicContact CB-CZ 4.17Å; F236-F257 HydrophobicContact CD1-CE2 4.43Å; F236-F257 AromaticContact CD1-CZ 3.8Å; F236-F257 HydrophobicContact CD1-CZ 3.8Å; F236-F257 HydrophobicContact CD2-CZ 4.1Å; F236-F257 HydrophobicContact CE1-CZ 4.18Å; F236-F257 HydrophobicContact CG-CE2 4.33Å; F236-F257 AromaticContact CG-CZ 3.73Å; F236-F257 HydrophobicContact CG-CZ 3.73Å; F236-I261 HydrophobicContact CD1-CD1 4.08Å; F236-I261 HydrophobicContact CD1-CG1 4.48Å; F236-I261 HydrophobicContact CE1-CD1 3.7Å; F236-I261 HydrophobicContact CE1-CG1 4.41Å; F236-I384 HydrophobicContact CE1-CD1 3.98Å; F236-I384 HydrophobicContact CZ-CD1 3.77Å; F236-L401 HydrophobicContact CD2-CD1 3.75Å; F236-L401 HydrophobicContact CE2-CD1 3.5Å; F236-L401 HydrophobicContact CZ-CD1 4.44Å
237T94.3Very high91.6Very high94 Ų9455.8 Ų55.858%0.57727%0.268SS*.EExtended strand (participates in β ladder)trans-134.4136.7175.759.90000109.7I215 Q216I215-T237 VanDerWaalsContact O-CA 3.29Å; I215-T237 WeakPolarHBondContact O-CA 3.48Å; Q216-T237 HydrophobicContact CG-CG2 4.07Å
238A94.6Very high92.1Very high7 Ų747.4 Ų47.46%0.05823%0.231CC..EExtended strand (participates in β ladder)trans-133.3149.1171.300000110.7I214 I215 F236 S242 I244 F354I214-A238 WeakPolarHBondContact CB-O 3.43Å; I215-A238 HydrophobicContact CB-CB 4.19Å; I215-A238 PolarHBondContact N-O 3Å; I215-A238 VanDerWaalsContact N-O 3.15Å; I215-A238 PolarHBondContact O-N 3.27Å; F236-A238 HydrophobicContact CE1-CB 4.02Å; F236-A238 HydrophobicContact CZ-CB 3.71Å; A238-S242 WeakPolarHBondContact CA-OG 3.35Å; A238-I244 HydrophobicContact CB-CD1 3.95Å; A238-F354 HydrophobicContact CB-CE2 3.82Å; A238-F354 HydrophobicContact CB-CZ 3.78Å
239N93.5Very high92.3Very high65 Ų6540.9 Ų40.935%0.34821%0.21SC..  trans-120.8-174.4177.767.927.9000110.4E241 S242N239-E241 VanDerWaalsContact C-N 3.27Å; N239-E241 PolarHBondContact O-N 3.2Å; N239-E241 WeakPolarHBondContact OD1-CA 3.06Å; N239-E241 PolarHBondContact OD1-N 3.36Å; N239-S242 PolarHBondContact N-OG 3.23Å; N239-S242 WeakPolarHBondContact O-CB 3.49Å; N239-S242 PolarHBondContact O-N 3.18Å; N239-S242 PolarHBondContact OD1-N 3.31Å; N239-S242 PolarHBondContact OD1-OG 3.25Å; N239-S242 VanDerWaalsContact OD1-OG 3.1Å
240M92.3Very high92.1Very high17 Ų1740.6 Ų40.68%0.08421%0.206CC..THydrogen-bonded Turntrans-69.8-21.6179.5-69.1-63.8-73.700113.6L210 I214 N353 G381 G382L210-M240 HydrophobicContact CB-CG 4.36Å; L210-M240 HydrophobicContact CB-SD 4.32Å; I214-M240 HydrophobicContact CD1-CG 4.26Å; I214-M240 HydrophobicContact CG1-CG 4.19Å; M240-N353 HydrophobicContact CE-CB 3.82Å; M240-N353 HydrophobicContact SD-CB 3.95Å; M240-G381 CarbonylContact O-C 3.56Å; M240-G381 VanDerWaalsContact O-O 3.09Å; M240-G382 WeakPolarHBondContact O-CA 3.32Å; M240-G382 PolarHBondContact O-N 3.44Å
241E92.2Very high91.7Very high154 Ų15443 Ų4372%0.7224%0.237SC*.THydrogen-bonded Turntrans-94-10.1179.8-62.5-179.6179.200112.7N239 R243N239-E241 VanDerWaalsContact C-N 3.27Å; N239-E241 PolarHBondContact O-N 3.2Å; N239-E241 WeakPolarHBondContact OD1-CA 3.06Å; N239-E241 PolarHBondContact OD1-N 3.36Å; E241-R243 PolarHBondContact O-N 2.85Å; E241-R243 PolarHBondContact O-NH1 3.47Å
242S94.7Very high91.3Very high4 Ų443.9 Ų43.93%0.02824%0.243CC..  trans-56.6130.4-178.9-71.80000110.8A238 N239 V383A238-S242 WeakPolarHBondContact CA-OG 3.35Å; N239-S242 PolarHBondContact N-OG 3.23Å; N239-S242 WeakPolarHBondContact O-CB 3.49Å; N239-S242 PolarHBondContact O-N 3.18Å; N239-S242 PolarHBondContact OD1-N 3.31Å; N239-S242 PolarHBondContact OD1-OG 3.25Å; N239-S242 VanDerWaalsContact OD1-OG 3.1Å; S242-V383 PolarHBondContact O-N 2.9Å
243R96Very high91.2Very high24 Ų2437.5 Ų37.59%0.09122%0.221CC..EExtended strand (participates in β ladder)trans-130.182.9176.7-70.7-65.4177.1-74.4-0.6108.2E241 F379 G381 V396 C397 K398 E399E241-R243 PolarHBondContact O-N 2.85Å; E241-R243 PolarHBondContact O-NH1 3.47Å; R243-F379 PolarHBondContact NH2-O 3.41Å; R243-G381 VanDerWaalsContact CZ-O 3.26Å; R243-G381 PolarHBondContact NH1-O 2.89Å; R243-G381 PolarHBondContact NH2-O 3.34Å; R243-G381 VanDerWaalsContact NH2-O 3.13Å; R243-V396 VanDerWaalsContact CB-O 3.24Å; R243-V396 WeakPolarHBondContact CB-O 3.49Å; R243-V396 WeakPolarHBondContact CG-O 3.39Å; R243-C397 CarbonylContact O-C 3.56Å; R243-C397 WeakPolarHBondContact O-CA 3.46Å; R243-K398 HydrophobicContact CB-CB 4.28Å; R243-K398 HydrophobicContact CB-CD 4.5Å; R243-K398 HydrophobicContact CB-CG 4.15Å; R243-K398 PolarHBondContact O-N 3.45Å; R243-E399 PolarHBondContact O-N 3.08Å
244I95.7Very high91.2Very high1 Ų133.9 Ų33.91%0.00520%0.2CC..EExtended strand (participates in β ladder)trans-106.7124.4-165.3-62.4159.1000109.5F236 A238 V383 I384 V385 E399 L401F236-I244 HydrophobicContact CE2-CD1 3.71Å; F236-I244 HydrophobicContact CZ-CD1 3.63Å; A238-I244 HydrophobicContact CB-CD1 3.95Å; I244-V383 PolarHBondContact N-O 3.07Å; I244-I384 HydrophobicContact CB-CG1 4.07Å; I244-I384 HydrophobicContact CD1-CG1 4.17Å; I244-I384 HydrophobicContact CG2-CG1 4.46Å; I244-I384 CarbonylContact O-C 3.58Å; I244-I384 VanDerWaalsContact O-CA 3.31Å; I244-I384 WeakPolarHBondContact O-CA 3.32Å; I244-V385 PolarHBondContact O-N 3.42Å; I244-E399 CarbonylContact C-O 3.42Å; I244-E399 WeakPolarHBondContact CA-O 3.46Å; I244-E399 HydrophobicContact CG1-CB 4.02Å; I244-L401 HydrophobicContact CG2-CB 4.36Å; I244-L401 HydrophobicContact CG2-CD1 3.58Å; I244-L401 HydrophobicContact CG2-CG 3.68Å
245C95.3Very high91.1Very high0 Ų035.9 Ų35.90%021%0.213CC..EExtended strand (participates in β ladder)trans-94131.4164.4-1770000109.2V247 V385 I393 C397 E399 L400 L401C245-V247 WeakPolarHBondContact SG-CG1 3.24Å; C245-V385 CarbonylContact C-O 3.57Å; C245-V385 WeakPolarHBondContact CA-O 3.28Å; C245-I393 HydrophobicContact CB-CG1 4.41Å; C245-I393 HydrophobicContact CB-CG2 4.07Å; C245-I393 VanDerWaalsContact SG-CD1 3.56Å; C245-I393 VanDerWaalsContact SG-CG1 3.55Å; C245-C397 HydrophobicContact CB-CB 3.67Å; C245-E399 PolarHBondContact N-O 3.23Å; C245-L400 HydrophobicContact CB-CD1 3.61Å; C245-L401 PolarHBondContact O-N 3.33Å
246L94Very high91Very high0 Ų032.1 Ų32.10%019%0.193CC..EExtended strand (participates in β ladder)trans-108.3117.6174.8-174.573000110K254 F257 L258 V385 V386 L401 I403L246-K254 HydrophobicContact CD2-CB 4Å; L246-K254 HydrophobicContact CD2-CG 4.25Å; L246-K254 HydrophobicContact CG-CG 4.38Å; L246-F257 HydrophobicContact CD1-CD1 4.17Å; L246-F257 HydrophobicContact CD1-CE1 4.16Å; L246-F257 HydrophobicContact CD2-CD1 3.57Å; L246-F257 HydrophobicContact CD2-CE1 4.2Å; L246-F257 HydrophobicContact CD2-CG 4.49Å; L246-L258 HydrophobicContact CD2-CD2 3.96Å; L246-L258 HydrophobicContact CD2-CG 4.48Å; L246-V385 PolarHBondContact N-O 3Å; L246-V386 HydrophobicContact CB-CG2 3.9Å; L246-V386 HydrophobicContact CD2-CG2 3.79Å; L246-V386 HydrophobicContact CG-CG2 4.27Å; L246-L401 WeakPolarHBondContact CA-O 3.36Å; L246-L401 HydrophobicContact CD1-CB 3.63Å; L246-L401 HydrophobicContact CD1-CD1 4.4Å; L246-I403 HydrophobicContact CD1-CD1 3.83Å; L246-I403 HydrophobicContact CD1-CG1 3.6Å; L246-I403 HydrophobicContact CD2-CD1 3.95Å; L246-I403 HydrophobicContact CD2-CG1 4.5Å; L246-I403 HydrophobicContact CG-CD1 4.22Å; L246-I403 HydrophobicContact CG-CG1 4.22Å
247V91.1Very high91Very high2 Ų231.5 Ų31.51%0.01219%0.191CC..EExtended strand (participates in β ladder)trans-124159.8-176.3-55.70000111.1M84 C245 L400 L401 I402 I403 Y418M84-V247 HydrophobicContact CE-CB 3.47Å; M84-V247 VanDerWaalsContact CE-CB 3.47Å; M84-V247 HydrophobicContact CE-CG1 3.2Å; M84-V247 HydrophobicContact CE-CG2 4.24Å; C245-V247 WeakPolarHBondContact SG-CG1 3.24Å; V247-L400 HydrophobicContact CB-CD1 4.32Å; V247-L400 HydrophobicContact CG1-CD1 3.54Å; V247-L400 HydrophobicContact CG2-CD1 3.79Å; V247-L400 HydrophobicContact CG2-CD2 4.16Å; V247-L400 HydrophobicContact CG2-CG 3.95Å; V247-L401 WeakPolarHBondContact CG2-O 3.32Å; V247-L401 PolarHBondContact N-O 3.36Å; V247-I402 HydrophobicContact CG2-CB 4.44Å; V247-I402 HydrophobicContact CG2-CG1 3.76Å; V247-I402 WeakPolarHBondContact O-CA 3.46Å; V247-I403 PolarHBondContact O-N 3.35Å; V247-Y418 HydrophobicContact CB-CE1 4.18Å; V247-Y418 HydrophobicContact CG2-CD1 4.22Å; V247-Y418 HydrophobicContact CG2-CD2 4.2Å; V247-Y418 HydrophobicContact CG2-CE1 3.96Å; V247-Y418 HydrophobicContact CG2-CE2 3.93Å; V247-Y418 HydrophobicContact CG2-CG 4.33Å
248G88.5Confident91Very high5 Ų527 Ų275%0.05216%0.163CC..  trans153.2162.3-177.700000111.2K254G248-K254 WeakPolarHBondContact O-CE 3.34Å; G248-K254 PolarHBondContact O-NZ 3.12Å
249D84.6Confident91Very high60 Ų6030 Ų3032%0.32118%0.175SC..  trans-58.5155.7-178.7-62.8-22.2000111.4G251 S252D249-G251 PolarHBondContact O-N 3.44Å; D249-S252 WeakPolarHBondContact O-CB 3.45Å; D249-S252 PolarHBondContact O-N 3.39Å; D249-S252 PolarHBondContact O-OG 3.47Å
250N80.9Confident91Very high46 Ų4627 Ų2725%0.24616%0.159CC..THydrogen-bonded Turntrans-62.7125.8173.6-83.72.2000111.6R59 M81 D83R59-N250 PolarHBondContact NH2-ND2 2.99Å; M81-N250 PolarHBondContact O-ND2 2.79Å; D83-N250 PolarHBondContact OD2-N 3.4Å
251G79.8Confident91Very high80 Ų8026.2 Ų26.283%0.82516%0.155SC*.THydrogen-bonded Turntrans87.60.2-174.600000115.1D249 G253D249-G251 PolarHBondContact O-N 3.44Å; G251-G253 PolarHBondContact O-N 3.35Å; G251-G253 VanDerWaalsContact O-N 3.14Å
252S85.4Confident91.1Very high20 Ų2020.6 Ų20.614%0.1413%0.131CC..SBendtrans-60.4-19.517554.40000114.5D249 I403D249-S252 WeakPolarHBondContact O-CB 3.45Å; D249-S252 PolarHBondContact O-N 3.39Å; D249-S252 PolarHBondContact O-OG 3.47Å; S252-I403 WeakPolarHBondContact CB-O 3.36Å; S252-I403 WeakPolarHBondContact O-CG2 3.29Å
253G88.1Confident90.9Very high6 Ų622 Ų226%0.06215%0.145CC..SBendtrans112.211.4-179.800000115G251 T255 T256 F257G251-G253 PolarHBondContact O-N 3.35Å; G251-G253 VanDerWaalsContact O-N 3.14Å; G253-T255 PolarHBondContact O-N 3.48Å; G253-T256 CarbonylContact O-C 3.58Å; G253-T256 WeakPolarHBondContact O-CA 3.27Å; G253-T256 WeakPolarHBondContact O-CB 3.46Å; G253-T256 PolarHBondContact O-N 3.39Å; G253-F257 WeakPolarHBondContact O-CB 3.48Å; G253-F257 PolarHBondContact O-N 2.99Å
254K91.8Very high90.8Very high19 Ų1926.3 Ų26.38%0.08317%0.168CC..Hα-helixtrans-47.7-62.4176.9-60.7-179-61.9-177.10112.8L246 G248 T256 F257 L258 E359 V386L246-K254 HydrophobicContact CD2-CB 4Å; L246-K254 HydrophobicContact CD2-CG 4.25Å; L246-K254 HydrophobicContact CG-CG 4.38Å; G248-K254 WeakPolarHBondContact O-CE 3.34Å; G248-K254 PolarHBondContact O-NZ 3.12Å; K254-T256 PolarHBondContact O-N 3.38Å; K254-F257 WeakPolarHBondContact O-CB 3.39Å; K254-F257 PolarHBondContact O-N 3.24Å; K254-F257 VanDerWaalsContact O-N 3.08Å; K254-L258 WeakPolarHBondContact O-CG 3.26Å; K254-L258 PolarHBondContact O-N 2.72Å; K254-E359 IonicContact NZ-OE1 3.82Å; K254-E359 PolarHBondContact NZ-OE1 3Å; K254-V386 HydrophobicContact CB-CG1 4.37Å; K254-V386 HydrophobicContact CB-CG2 4.26Å; K254-V386 HydrophobicContact CD-CG1 3.81Å
255T91.5Very high90.6Very high45 Ų4528 Ų2828%0.27618%0.177SC..Hα-helixtrans-59.2-33.5177.5-52.10000112.7G253 K259 D358G253-T255 PolarHBondContact O-N 3.48Å; T255-K259 HydrophobicContact CG2-CD 4.17Å; T255-K259 WeakPolarHBondContact O-CB 3.41Å; T255-K259 VanDerWaalsContact O-CG 3.24Å; T255-K259 WeakPolarHBondContact O-CG 3.35Å; T255-K259 PolarHBondContact O-N 2.91Å; T255-D358 WeakPolarHBondContact CB-OD2 3.44Å; T255-D358 WeakPolarHBondContact CG2-OD2 3.31Å; T255-D358 PolarHBondContact OG1-OD2 3.28Å
256T92.1Very high90.5Very high12 Ų1234.2 Ų34.27%0.07421%0.21CC..Hα-helixtrans-67.6-42.4176.1-57.40000111.5F222 Y224 V230 L231 G253 K254 K259 L260 L265F222-T256 HydrophobicContact CD1-CG2 3.42Å; F222-T256 VanDerWaalsContact CD1-CG2 3.42Å; F222-T256 HydrophobicContact CE1-CG2 3.7Å; F222-T256 HydrophobicContact CG-CG2 4.36Å; Y224-T256 HydrophobicContact CE2-CG2 4Å; Y224-T256 WeakPolarHBondContact CE2-OG1 3.42Å; Y224-T256 PolarHBondContact OH-OG1 3.23Å; V230-T256 HydrophobicContact CG1-CG2 4.04Å; L231-T256 HydrophobicContact CD1-CG2 4.47Å; G253-T256 CarbonylContact O-C 3.58Å; G253-T256 WeakPolarHBondContact O-CA 3.27Å; G253-T256 WeakPolarHBondContact O-CB 3.46Å; G253-T256 PolarHBondContact O-N 3.39Å; K254-T256 PolarHBondContact O-N 3.38Å; T256-K259 PolarHBondContact O-N 3.19Å; T256-L260 HydrophobicContact CG2-CD1 4.43Å; T256-L260 WeakPolarHBondContact O-CG 3.48Å; T256-L260 PolarHBondContact O-N 2.97Å; T256-L265 HydrophobicContact CG2-CD1 4.01Å
257F94.4Very high90.5Very high1 Ų136 Ų360%0.00422%0.222CC..Hα-helixtrans-61.6-45.5174.1176.6-107.4000111.4L217 L231 V234 F236 L246 G253 K254 K259 L260 I261 I403 V408L217-F257 HydrophobicContact CD1-CD2 4.37Å; L217-F257 HydrophobicContact CD1-CE2 3.76Å; L217-F257 HydrophobicContact CD1-CZ 4.47Å; L231-F257 HydrophobicContact CD1-CB 3.86Å; L231-F257 HydrophobicContact CD1-CD2 4.2Å; V234-F257 HydrophobicContact CG1-CD2 4.29Å; V234-F257 HydrophobicContact CG1-CE2 3.75Å; F236-F257 HydrophobicContact CB-CE2 4.3Å; F236-F257 HydrophobicContact CB-CZ 4.17Å; F236-F257 HydrophobicContact CD1-CE2 4.43Å; F236-F257 AromaticContact CD1-CZ 3.8Å; F236-F257 HydrophobicContact CD1-CZ 3.8Å; F236-F257 HydrophobicContact CD2-CZ 4.1Å; F236-F257 HydrophobicContact CE1-CZ 4.18Å; F236-F257 HydrophobicContact CG-CE2 4.33Å; F236-F257 AromaticContact CG-CZ 3.73Å; F236-F257 HydrophobicContact CG-CZ 3.73Å; L246-F257 HydrophobicContact CD1-CD1 4.17Å; L246-F257 HydrophobicContact CD1-CE1 4.16Å; L246-F257 HydrophobicContact CD2-CD1 3.57Å; L246-F257 HydrophobicContact CD2-CE1 4.2Å; L246-F257 HydrophobicContact CD2-CG 4.49Å; G253-F257 WeakPolarHBondContact O-CB 3.48Å; G253-F257 PolarHBondContact O-N 2.99Å; K254-F257 WeakPolarHBondContact O-CB 3.39Å; K254-F257 PolarHBondContact O-N 3.24Å; K254-F257 VanDerWaalsContact O-N 3.08Å; F257-K259 PolarHBondContact O-N 3.4Å; F257-L260 WeakPolarHBondContact O-CB 3.35Å; F257-L260 PolarHBondContact O-N 3.15Å; F257-I261 HydrophobicContact CD1-CD1 3.85Å; F257-I261 HydrophobicContact CE1-CD1 3.4Å; F257-I261 VanDerWaalsContact CE1-CD1 3.4Å; F257-I261 HydrophobicContact CE1-CG1 4.48Å; F257-I261 HydrophobicContact CE2-CD1 4.22Å; F257-I261 HydrophobicContact CG-CD1 4.46Å; F257-I261 HydrophobicContact CZ-CD1 3.62Å; F257-I261 HydrophobicContact CZ-CG1 4.41Å; F257-I261 WeakPolarHBondContact O-CG1 3.27Å; F257-I261 PolarHBondContact O-N 2.87Å; F257-I403 HydrophobicContact CB-CD1 3.65Å; F257-I403 HydrophobicContact CD1-CD1 4.2Å; F257-I403 HydrophobicContact CG-CD1 3.93Å; F257-V408 HydrophobicContact CD2-CG2 4.18Å; F257-V408 HydrophobicContact CE2-CG2 4.19Å; F257-V408 HydrophobicContact CZ-CG1 4.5Å
258L94.8Very high90.6Very high0 Ų039.3 Ų39.30%024%0.242CC..Hα-helixtrans-60.9-44.9175.1-58.5-171.6000111.9L246 K254 L260 I261 V262 Y282 I356 D358 I384 V386L246-L258 HydrophobicContact CD2-CD2 3.96Å; L246-L258 HydrophobicContact CD2-CG 4.48Å; K254-L258 WeakPolarHBondContact O-CG 3.26Å; K254-L258 PolarHBondContact O-N 2.72Å; L258-L260 VanDerWaalsContact C-N 3.29Å; L258-L260 PolarHBondContact O-N 3.39Å; L258-I261 PolarHBondContact O-N 3.24Å; L258-I261 VanDerWaalsContact O-N 3.12Å; L258-V262 WeakPolarHBondContact O-CG2 3.16Å; L258-V262 PolarHBondContact O-N 2.98Å; L258-Y282 HydrophobicContact CB-CE2 3.98Å; L258-Y282 HydrophobicContact CD1-CE2 3.92Å; L258-I356 HydrophobicContact CB-CG2 4.03Å; L258-I356 HydrophobicContact CD1-CG2 3.81Å; L258-I356 HydrophobicContact CD2-CG2 3.68Å; L258-I356 HydrophobicContact CG-CG2 4.02Å; L258-D358 HydrophobicContact CD1-CB 3.64Å; L258-I384 HydrophobicContact CD2-CG2 3.74Å; L258-V386 HydrophobicContact CD1-CG2 3.72Å; L258-V386 HydrophobicContact CD2-CG2 4.31Å; L258-V386 HydrophobicContact CG-CG2 4.23Å
259K94Very high90.8Very high70 Ų7046.1 Ų46.130%0.30427%0.27SS..Hα-helixtrans-62.2-35.4177.5-77.3173.7179.5175.30112.6T255 T256 F257 G263 M264 L265T255-K259 HydrophobicContact CG2-CD 4.17Å; T255-K259 WeakPolarHBondContact O-CB 3.41Å; T255-K259 VanDerWaalsContact O-CG 3.24Å; T255-K259 WeakPolarHBondContact O-CG 3.35Å; T255-K259 PolarHBondContact O-N 2.91Å; T256-K259 PolarHBondContact O-N 3.19Å; F257-K259 PolarHBondContact O-N 3.4Å; K259-G263 PolarHBondContact O-N 3.32Å; K259-M264 HydrophobicContact CB-CB 4.15Å; K259-M264 HydrophobicContact CG-CB 4.29Å; K259-M264 HydrophobicContact CG-SD 4.31Å; K259-M264 PolarHBondContact O-N 2.77Å; K259-L265 HydrophobicContact CB-CD1 3.64Å; K259-L265 HydrophobicContact CB-CG 3.91Å; K259-L265 HydrophobicContact CD-CD1 4.11Å; K259-L265 PolarHBondContact O-N 3.23Å
260L93.7Very high91.3Very high2 Ų245.3 Ų45.31%0.0128%0.276CS..Hα-helixtrans-64.6-47.4171.3-74.4161.8000110.6V220 F222 L231 T256 F257 L258 V262 G263 L265 P267 R272V220-L260 HydrophobicContact CG1-CD1 4.31Å; F222-L260 HydrophobicContact CB-CD1 3.75Å; F222-L260 HydrophobicContact CB-CD2 4.25Å; F222-L260 HydrophobicContact CD2-CD2 3.9Å; F222-L260 HydrophobicContact CG-CD1 4.13Å; F222-L260 HydrophobicContact CG-CD2 4.16Å; L231-L260 HydrophobicContact CD1-CD1 3.49Å; L231-L260 VanDerWaalsContact CD1-CD1 3.49Å; T256-L260 HydrophobicContact CG2-CD1 4.43Å; T256-L260 WeakPolarHBondContact O-CG 3.48Å; T256-L260 PolarHBondContact O-N 2.97Å; F257-L260 WeakPolarHBondContact O-CB 3.35Å; F257-L260 PolarHBondContact O-N 3.15Å; L258-L260 VanDerWaalsContact C-N 3.29Å; L258-L260 PolarHBondContact O-N 3.39Å; L260-V262 VanDerWaalsContact C-N 3.35Å; L260-V262 PolarHBondContact O-N 3.01Å; L260-G263 PolarHBondContact O-N 3.46Å; L260-G263 VanDerWaalsContact O-N 3.09Å; L260-L265 HydrophobicContact CD2-CB 3.92Å; L260-L265 HydrophobicContact CG-CB 4.23Å; L260-P267 HydrophobicContact CD2-CB 4.42Å; L260-R272 WeakPolarHBondContact O-CD 3.39Å; L260-R272 PolarHBondContact O-NE 3.2Å
261I93.6Very high91.9Very high0 Ų047.4 Ų47.40%028%0.284CS..Hα-helixtrans-58.2-47177.3-66.6168.9000111.3I215 L217 F236 F257 L258 G263 R272 I356 I384I215-I261 HydrophobicContact CD1-CG2 3.82Å; I215-I261 HydrophobicContact CG2-CG2 3.88Å; L217-I261 HydrophobicContact CD1-CG1 3.92Å; F236-I261 HydrophobicContact CD1-CD1 4.08Å; F236-I261 HydrophobicContact CD1-CG1 4.48Å; F236-I261 HydrophobicContact CE1-CD1 3.7Å; F236-I261 HydrophobicContact CE1-CG1 4.41Å; F257-I261 HydrophobicContact CD1-CD1 3.85Å; F257-I261 HydrophobicContact CE1-CD1 3.4Å; F257-I261 VanDerWaalsContact CE1-CD1 3.4Å; F257-I261 HydrophobicContact CE1-CG1 4.48Å; F257-I261 HydrophobicContact CE2-CD1 4.22Å; F257-I261 HydrophobicContact CG-CD1 4.46Å; F257-I261 HydrophobicContact CZ-CD1 3.62Å; F257-I261 HydrophobicContact CZ-CG1 4.41Å; F257-I261 WeakPolarHBondContact O-CG1 3.27Å; F257-I261 PolarHBondContact O-N 2.87Å; L258-I261 PolarHBondContact O-N 3.24Å; L258-I261 VanDerWaalsContact O-N 3.12Å; I261-G263 PolarHBondContact O-N 3.16Å; I261-R272 VanDerWaalsContact O-CZ 3.26Å; I261-R272 PolarHBondContact O-NE 2.9Å; I261-R272 PolarHBondContact O-NH2 3.39Å; I261-I356 HydrophobicContact CB-CD1 4.16Å; I261-I356 HydrophobicContact CG2-CD1 3.48Å; I261-I356 VanDerWaalsContact CG2-CD1 3.48Å; I261-I384 HydrophobicContact CD1-CD1 3.76Å
262V93.1Very high92.6Very high36 Ų3647.1 Ų47.122%0.21826%0.258CS..Hα-helixtrans-68.3-22.8179.4179.80000112L258 L260 M264 R272 V280 Y282 I356L258-V262 WeakPolarHBondContact O-CG2 3.16Å; L258-V262 PolarHBondContact O-N 2.98Å; L260-V262 VanDerWaalsContact C-N 3.35Å; L260-V262 PolarHBondContact O-N 3.01Å; V262-M264 HydrophobicContact CB-CG 4.41Å; V262-M264 HydrophobicContact CG1-CE 4.13Å; V262-M264 HydrophobicContact CG1-CG 4Å; V262-M264 HydrophobicContact CG1-SD 4.49Å; V262-R272 PolarHBondContact O-NH2 3.24Å; V262-V280 HydrophobicContact CG2-CG1 4.35Å; V262-Y282 HydrophobicContact CG1-CD1 4.42Å; V262-Y282 HydrophobicContact CG2-CD1 4.14Å; V262-Y282 HydrophobicContact CG2-CD2 4.04Å; V262-Y282 HydrophobicContact CG2-CG 3.76Å; V262-I356 HydrophobicContact CG2-CD1 3.76Å
263G91.4Very high93Very high32 Ų3250.9 Ų50.933%0.3327%0.269SS..THydrogen-bonded Turntrans85.122-178.300000113.3K259 L260 I261 R272K259-G263 PolarHBondContact O-N 3.32Å; L260-G263 PolarHBondContact O-N 3.46Å; L260-G263 VanDerWaalsContact O-N 3.09Å; I261-G263 PolarHBondContact O-N 3.16Å; G263-R272 VanDerWaalsContact CA-CZ 3.41Å; G263-R272 VanDerWaalsContact CA-NH2 3.32Å; G263-R272 VanDerWaalsContact N-NH2 3.15Å
264M92.1Very high93.3Very high116 Ų11653.4 Ų53.457%0.57128%0.281SS*.SBendtrans-77-15.5169-66.3-175.2170.100112.2K259 V262 Y282K259-M264 HydrophobicContact CB-CB 4.15Å; K259-M264 HydrophobicContact CG-CB 4.29Å; K259-M264 HydrophobicContact CG-SD 4.31Å; K259-M264 PolarHBondContact O-N 2.77Å; V262-M264 HydrophobicContact CB-CG 4.41Å; V262-M264 HydrophobicContact CG1-CE 4.13Å; V262-M264 HydrophobicContact CG1-CG 4Å; V262-M264 HydrophobicContact CG1-SD 4.49Å; M264-Y282 HydrophobicContact CE-CD1 3.67Å; M264-Y282 HydrophobicContact CE-CE1 4.1Å; M264-Y282 HydrophobicContact SD-CD1 3.98Å; M264-Y282 HydrophobicContact SD-CE1 3.82Å
265L93.4Very high93.4Very high35 Ų3555 Ų5518%0.18329%0.289CS..SBendtrans-131.3140.6174.5-64.1172.8000108.4F222 Y224 T256 K259 L260F222-L265 HydrophobicContact CE1-CD1 4.01Å; F222-L265 HydrophobicContact CE2-CB 4.05Å; F222-L265 HydrophobicContact CE2-CD1 4.42Å; F222-L265 HydrophobicContact CE2-CD2 4.45Å; F222-L265 HydrophobicContact CZ-CB 4.28Å; F222-L265 HydrophobicContact CZ-CD1 3.86Å; F222-L265 HydrophobicContact CZ-CD2 4.02Å; F222-L265 HydrophobicContact CZ-CG 4.28Å; Y224-L265 HydrophobicContact CE1-CD1 4.21Å; Y224-L265 HydrophobicContact CE1-CD2 4.41Å; Y224-L265 WeakPolarHBondContact OH-CD1 3.36Å; T256-L265 HydrophobicContact CG2-CD1 4.01Å; K259-L265 HydrophobicContact CB-CD1 3.64Å; K259-L265 HydrophobicContact CB-CG 3.91Å; K259-L265 HydrophobicContact CD-CD1 4.11Å; K259-L265 PolarHBondContact O-N 3.23Å; L260-L265 HydrophobicContact CD2-CB 3.92Å; L260-L265 HydrophobicContact CG-CB 4.23Å
266D93Very high93.4Very high132 Ų13263.2 Ų63.271%0.70632%0.315SS*.  trans-90.9137.5173.2-66.5-52.5000110.6F222F222-D266 VanDerWaalsContact CD2-O 3.28Å; F222-D266 WeakPolarHBondContact CD2-O 3.03Å; F222-D266 WeakPolarHBondContact CE2-O 3.45Å
267P93.7Very high93.5Very high37 Ų3766.9 Ų66.924%0.2433%0.333CS..  trans-65.6141.9175.629.9-35.4000110.8V220 L260V220-P267 HydrophobicContact CG1-CB 3.83Å; V220-P267 HydrophobicContact CG2-CB 4.32Å; L260-P267 HydrophobicContact CD2-CB 4.42Å
268V93.2Very high93.4Very high72 Ų7268 Ų6844%0.43634%0.339SS..SBendtrans-75.7-32.5174.3178.90000110.7S221 F222S221-V268 WeakPolarHBondContact O-CB 3.45Å; S221-V268 PolarHBondContact O-N 3.28Å; F222-V268 HydrophobicContact CD2-CG2 4.26Å
269K93.2Very high93.4Very high147 Ų14772.8 Ų72.864%0.63936%0.36SS*.EExtended strand (participates in β ladder)trans-142.4156.1173.7-65.8-174.6176.9-177.20109.2V220 S221V220-K269 CarbonylContact C-O 3.58Å; V220-K269 VanDerWaalsContact CA-O 3.26Å; V220-K269 WeakPolarHBondContact CA-O 3.36Å; S221-K269 PolarHBondContact N-O 2.62Å; S221-K269 PolarHBondContact O-N 2.95Å
270G94Very high93.4Very high43 Ų4371.5 Ų71.544%0.44336%0.358SS..EExtended strand (participates in β ladder)trans88.2179.9-17900000112.7E218 N219E218-G270 CarbonylContact O-C 3.47Å; E218-G270 WeakPolarHBondContact O-CA 3.09Å; N219-G270 WeakPolarHBondContact O-CA 3.15Å
271E94.3Very high93.4Very high90 Ų9071.8 Ų71.842%0.42136%0.36SS..EExtended strand (participates in β ladder)trans-123.6140.7-176.1-164.8179.8159.500111L217 E218 V220 R273L217-E271 WeakPolarHBondContact CA-O 3.48Å; E218-E271 PolarHBondContact N-O 3.47Å; E218-E271 PolarHBondContact O-N 3.41Å; V220-E271 WeakPolarHBondContact CG2-O 3.39Å; E271-R273 VanDerWaalsContact CD-NH2 3.34Å; E271-R273 HydrophobicContact CG-CG 4.13Å; E271-R273 WeakPolarHBondContact OE1-CG 3.18Å; E271-R273 IonicContact OE1-CZ 3.52Å; E271-R273 IonicContact OE1-NE 2.75Å; E271-R273 PolarHBondContact OE1-NE 3.27Å; E271-R273 IonicContact OE1-NH2 3.46Å; E271-R273 PolarHBondContact OE1-NH2 2.65Å; E271-R273 IonicContact OE2-CZ 3.42Å; E271-R273 IonicContact OE2-NE 3.45Å; E271-R273 PolarHBondContact OE2-NE 3.28Å; E271-R273 IonicContact OE2-NH2 2.7Å; E271-R273 PolarHBondContact OE2-NH2 3.37Å
272R94.6Very high93.4Very high74 Ų7472.6 Ų72.628%0.27936%0.364SS..EExtended strand (participates in β ladder)trans-114.4116.1172.4169.8179.5169.4-91.75.7109.1L217 L260 I261 V262 G263L217-R272 HydrophobicContact CD2-CB 3.76Å; L217-R272 HydrophobicContact CD2-CG 3.67Å; L260-R272 WeakPolarHBondContact O-CD 3.39Å; L260-R272 PolarHBondContact O-NE 3.2Å; I261-R272 VanDerWaalsContact O-CZ 3.26Å; I261-R272 PolarHBondContact O-NE 2.9Å; I261-R272 PolarHBondContact O-NH2 3.39Å; V262-R272 PolarHBondContact O-NH2 3.24Å; G263-R272 VanDerWaalsContact CA-CZ 3.41Å; G263-R272 VanDerWaalsContact CA-NH2 3.32Å; G263-R272 VanDerWaalsContact N-NH2 3.15Å
273R94.2Very high93.4Very high100 Ų10071.2 Ų71.238%0.37736%0.355SS..EExtended strand (participates in β ladder)trans-114.7127.7176.7-60.8-179-176.1138.710.9110.3Q216 E218 E271Q216-R273 HydrophobicContact CB-CB 4.31Å; Q216-R273 PolarHBondContact N-O 3.34Å; Q216-R273 PolarHBondContact O-N 3.01Å; E218-R273 IonicContact OE1-CZ 3.69Å; E218-R273 IonicContact OE1-NH1 2.83Å; E218-R273 PolarHBondContact OE1-NH1 3.44Å; E218-R273 IonicContact OE2-CZ 3.77Å; E218-R273 IonicContact OE2-NH1 3.54Å; E218-R273 IonicContact OE2-NH2 3.53Å; E271-R273 VanDerWaalsContact CD-NH2 3.34Å; E271-R273 HydrophobicContact CG-CG 4.13Å; E271-R273 WeakPolarHBondContact OE1-CG 3.18Å; E271-R273 IonicContact OE1-CZ 3.52Å; E271-R273 IonicContact OE1-NE 2.75Å; E271-R273 PolarHBondContact OE1-NE 3.27Å; E271-R273 IonicContact OE1-NH2 3.46Å; E271-R273 PolarHBondContact OE1-NH2 2.65Å; E271-R273 IonicContact OE2-CZ 3.42Å; E271-R273 IonicContact OE2-NE 3.45Å; E271-R273 PolarHBondContact OE2-NE 3.28Å; E271-R273 IonicContact OE2-NH2 2.7Å; E271-R273 PolarHBondContact OE2-NH2 3.37Å
274L94.1Very high93.3Very high59 Ų5970.9 Ų70.931%0.30935%0.346SS..EExtended strand (participates in β ladder)trans-119.1147.7171.9-66.7-167.5000110.4I214 I215 R276 L278I214-L274 CarbonylContact O-C 3.56Å; I214-L274 WeakPolarHBondContact O-CA 3.35Å; I215-L274 HydrophobicContact CB-CD2 4.09Å; I215-L274 HydrophobicContact CG1-CD2 3.9Å; I215-L274 HydrophobicContact CG2-CD2 3.86Å; L274-R276 PolarHBondContact O-N 3.47Å; L274-L278 HydrophobicContact CB-CD2 4.21Å; L274-L278 HydrophobicContact CD1-CD2 4.21Å; L274-L278 HydrophobicContact CD2-CD2 3.97Å; L274-L278 HydrophobicContact CG-CD2 4.38Å
275H94Very high92.8Very high51 Ų5168.5 Ų68.524%0.23633%0.334CS..  trans-61.6135171.4-173.1-86.8000110.8N211 P213 I214 L277 L278N211-H275 PolarHBondContact O-CD2 3.02Å; N211-H275 VanDerWaalsContact O-CD2 3.27Å; P213-H275 WeakPolarHBondContact O-CB 3.49Å; I214-H275 HydrophobicContact CD1-CB 4.27Å; I214-H275 PolarHBondContact O-N 3.45Å; H275-L277 PolarHBondContact ND1-N 3.26Å; H275-L277 PolarHBondContact O-N 3.44Å; H275-L277 VanDerWaalsContact O-N 3.13Å; H275-L278 HydrophobicContact CB-CB 4.16Å; H275-L278 WeakPolarHBondContact O-CB 3.37Å; H275-L278 PolarHBondContact O-N 3.06Å
276R91.3Very high92.1Very high218 Ų21872.1 Ų72.182%0.82335%0.35SS*.THydrogen-bonded Turntrans-58.1-32-172.3-175175.463.985.80.3114.6L274L274-R276 PolarHBondContact O-N 3.47Å
277L92.4Very high91.4Very high90 Ų9066.1 Ų66.147%0.47132%0.317SS..THydrogen-bonded Turntrans-96.24.2179.8-57.9179000113.3L210 H275 K279L210-L277 HydrophobicContact CD2-CB 4.03Å; H275-L277 PolarHBondContact ND1-N 3.26Å; H275-L277 PolarHBondContact O-N 3.44Å; H275-L277 VanDerWaalsContact O-N 3.13Å; L277-K279 PolarHBondContact O-N 2.99Å
278L93.4Very high90.6Very high24 Ų2465.7 Ų65.713%0.12631%0.314CS..  trans-66.5122.7-177-177.959.9000111.1L210 I214 I215 L274 H275 V280 N353 F354L210-L278 HydrophobicContact CD1-CB 4.34Å; L210-L278 HydrophobicContact CD1-CD1 4.03Å; I214-L278 HydrophobicContact CG2-CD1 3.54Å; I214-L278 HydrophobicContact CG2-CD2 3.85Å; I214-L278 HydrophobicContact CG2-CG 4.26Å; I215-L278 HydrophobicContact CD1-CD2 4.37Å; I215-L278 HydrophobicContact CG1-CD2 3.9Å; L274-L278 HydrophobicContact CB-CD2 4.21Å; L274-L278 HydrophobicContact CD1-CD2 4.21Å; L274-L278 HydrophobicContact CD2-CD2 3.97Å; L274-L278 HydrophobicContact CG-CD2 4.38Å; H275-L278 HydrophobicContact CB-CB 4.16Å; H275-L278 WeakPolarHBondContact O-CB 3.37Å; H275-L278 PolarHBondContact O-N 3.06Å; L278-V280 HydrophobicContact CD1-CG2 4.39Å; L278-V280 HydrophobicContact CD2-CG2 3.76Å; L278-V280 HydrophobicContact CG-CG2 3.72Å; L278-N353 HydrophobicContact CD1-CB 4.01Å; L278-F354 HydrophobicContact CD1-CB 3.9Å
279K93.9Very high90Very high101 Ų10167.6 Ų67.644%0.43932%0.322SS..  trans-103.3113.4167.4-61.9176-172.51700109.3L277 M350 P352 N353 F354L277-K279 PolarHBondContact O-N 2.99Å; K279-M350 WeakPolarHBondContact CD-O 3.2Å; K279-P352 CarbonylContact O-C 3.55Å; K279-P352 WeakPolarHBondContact O-CA 3.35Å; K279-N353 WeakPolarHBondContact CB-OD1 3.37Å; K279-N353 PolarHBondContact N-OD1 2.91Å; K279-N353 PolarHBondContact O-N 3.27Å; K279-F354 PolarHBondContact O-N 3.26Å
280V94Very high89.5Confident42 Ų4265.8 Ų65.826%0.25532%0.316SS..EExtended strand (participates in β ladder)trans-99.8127176.4-173.70000109.1V262 L278 F354 I356V262-V280 HydrophobicContact CG2-CG1 4.35Å; L278-V280 HydrophobicContact CD1-CG2 4.39Å; L278-V280 HydrophobicContact CD2-CG2 3.76Å; L278-V280 HydrophobicContact CG-CG2 3.72Å; V280-F354 WeakPolarHBondContact CA-O 3.36Å; V280-F354 HydrophobicContact CG2-CB 4.38Å; V280-I356 HydrophobicContact CG1-CD1 3.66Å; V280-I356 HydrophobicContact CG1-CG1 3.88Å
281A93.8Very high89.2Confident8 Ų864.3 Ų64.37%0.06630%0.297CS..EExtended strand (participates in β ladder)trans-99.3127.2164.900000109.4L347 P352 F354 L355 I356A281-L347 HydrophobicContact CB-CB 3.98Å; A281-L347 HydrophobicContact CB-CD2 4.14Å; A281-L347 HydrophobicContact CB-CG 4.45Å; A281-P352 HydrophobicContact CB-CB 3.58Å; A281-P352 HydrophobicContact CB-CG 3.67Å; A281-F354 PolarHBondContact N-O 3.17Å; A281-L355 HydrophobicContact CB-CD2 3.79Å; A281-I356 PolarHBondContact O-N 3.32Å
282Y94.2Very high89Confident18 Ų1862.7 Ų62.77%0.07129%0.293CS..EExtended strand (participates in β ladder)trans-114.8112.8-179179.4-137000110.2L258 V262 M264 T284 I356 D358L258-Y282 HydrophobicContact CB-CE2 3.98Å; L258-Y282 HydrophobicContact CD1-CE2 3.92Å; V262-Y282 HydrophobicContact CG1-CD1 4.42Å; V262-Y282 HydrophobicContact CG2-CD1 4.14Å; V262-Y282 HydrophobicContact CG2-CD2 4.04Å; V262-Y282 HydrophobicContact CG2-CG 3.76Å; M264-Y282 HydrophobicContact CE-CD1 3.67Å; M264-Y282 HydrophobicContact CE-CE1 4.1Å; M264-Y282 HydrophobicContact SD-CD1 3.98Å; M264-Y282 HydrophobicContact SD-CE1 3.82Å; Y282-T284 HydrophobicContact CD1-CG2 3.59Å; Y282-T284 HydrophobicContact CE1-CG2 3.29Å; Y282-T284 HydrophobicContact CE2-CG2 4.37Å; Y282-T284 HydrophobicContact CG-CG2 4.27Å; Y282-I356 CarbonylContact C-O 2.95Å; Y282-I356 WeakPolarHBondContact CA-O 3.33Å; Y282-I356 HydrophobicContact CD2-CB 3.95Å; Y282-I356 HydrophobicContact CD2-CG2 3.65Å; Y282-I356 HydrophobicContact CE2-CG2 3.94Å; Y282-D358 HydrophobicContact CE2-CB 4.3Å
283F92.9Very high88.8Confident7 Ų762.2 Ų62.23%0.03130%0.295CS..EExtended strand (participates in β ladder)trans-92.5121.9171.1-172.8-85.5000108.6H287 A343 F344 L347 I356 L357 D358 P360F283-H287 HydrophobicContact CD2-CB 4.41Å; F283-H287 HydrophobicContact CE2-CB 4.32Å; F283-H287 HydrophobicContact CZ-CB 4.44Å; F283-A343 HydrophobicContact CD2-CB 4.43Å; F283-A343 HydrophobicContact CE2-CB 3.72Å; F283-F344 HydrophobicContact CD1-CE1 4.4Å; F283-F344 AromaticContact CD2-CD1 3.7Å; F283-F344 HydrophobicContact CD2-CD1 3.7Å; F283-F344 AromaticContact CD2-CE1 3.42Å; F283-F344 HydrophobicContact CD2-CE1 3.42Å; F283-F344 VanDerWaalsContact CD2-CE1 3.42Å; F283-F344 HydrophobicContact CD2-CZ 4.17Å; F283-F344 AromaticContact CE2-CD1 3.89Å; F283-F344 HydrophobicContact CE2-CD1 3.89Å; F283-F344 AromaticContact CE2-CE1 3.52Å; F283-F344 HydrophobicContact CE2-CE1 3.52Å; F283-F344 HydrophobicContact CE2-CE2 4.42Å; F283-F344 HydrophobicContact CE2-CG 4.46Å; F283-F344 AromaticContact CE2-CZ 3.81Å; F283-F344 HydrophobicContact CE2-CZ 3.81Å; F283-F344 HydrophobicContact CG-CD1 4.48Å; F283-F344 AromaticContact CG-CE1 3.89Å; F283-F344 HydrophobicContact CG-CE1 3.89Å; F283-F344 HydrophobicContact CZ-CE1 4.1Å; F283-F344 HydrophobicContact CZ-CZ 4.01Å; F283-L347 HydrophobicContact CB-CD1 3.66Å; F283-L347 HydrophobicContact CD2-CD1 3.8Å; F283-L347 HydrophobicContact CG-CD1 4.24Å; F283-I356 PolarHBondContact N-O 3.24Å; F283-L357 HydrophobicContact CB-CB 4.45Å; F283-L357 HydrophobicContact CB-CD2 3.43Å; F283-L357 VanDerWaalsContact CB-CD2 3.43Å; F283-L357 HydrophobicContact CG-CD2 4.27Å; F283-D358 PolarHBondContact O-N 3.15Å; F283-P360 HydrophobicContact CD1-CB 4.2Å; F283-P360 HydrophobicContact CE1-CB 4.21Å
284T88.8Confident88.7Confident24 Ų2463.1 Ų63.115%0.14731%0.307CS..  trans-100.6157-179.4750000110.8Y282 H286 H287Y282-T284 HydrophobicContact CD1-CG2 3.59Å; Y282-T284 HydrophobicContact CE1-CG2 3.29Å; Y282-T284 HydrophobicContact CE2-CG2 4.37Å; Y282-T284 HydrophobicContact CG-CG2 4.27Å; T284-H286 PolarHBondContact O-N 2.96Å; T284-H287 WeakPolarHBondContact O-CB 3.41Å; T284-H287 PolarHBondContact O-N 3.17Å; T284-H287 PolarHBondContact OG1-N 3.03Å
285Q81.7Confident88.7Confident67 Ų6760.8 Ų60.831%0.31330%0.296SS..THydrogen-bonded Turntrans-57-34.7178.2-168.817512.600113.4M81 D358 E359 N362M81-Q285 PolarHBondContact SD-NE2 3.35Å; Q285-D358 PolarHBondContact N-O 2.68Å; Q285-E359 HydrophobicContact CG-CB 4.44Å; Q285-N362 PolarHBondContact NE2-ND2 3.38Å
286H78.8Confident88.7Confident111 Ų11159.4 Ų59.451%0.51429%0.29SS..THydrogen-bonded Turntrans-97.919.8177.9-63.9-64.3000113.1T284 V288 D289 Q290T284-H286 PolarHBondContact O-N 2.96Å; H286-V288 VanDerWaalsContact C-N 3.26Å; H286-V288 PolarHBondContact O-N 3.3Å; H286-D289 HydrophobicContact CB-CB 4.4Å; H286-D289 IonicContact CG-OD2 3.28Å; H286-D289 IonicContact ND1-OD2 2.62Å; H286-D289 PolarHBondContact ND1-OD2 3.14Å; H286-D289 WeakPolarHBondContact O-CB 3.1Å; H286-D289 PolarHBondContact O-N 3.15Å; H286-D289 VanDerWaalsContact O-N 3.15Å; H286-Q290 WeakPolarHBondContact O-CG 3.41Å; H286-Q290 PolarHBondContact O-N 3.47Å
287H78Confident88.9Confident5 Ų549 Ų492%0.02325%0.251CS..THydrogen-bonded Turntrans-66.4-31.8-173.5-160.4-81.5000112.3F283 T284 D289 Q290 A343F283-H287 HydrophobicContact CD2-CB 4.41Å; F283-H287 HydrophobicContact CE2-CB 4.32Å; F283-H287 HydrophobicContact CZ-CB 4.44Å; T284-H287 WeakPolarHBondContact O-CB 3.41Å; T284-H287 PolarHBondContact O-N 3.17Å; T284-H287 PolarHBondContact OG1-N 3.03Å; H287-D289 VanDerWaalsContact C-N 3.35Å; H287-Q290 PolarHBondContact O-N 2.71Å; H287-A343 WeakPolarHBondContact ND1-CB 3.47Å
288V77.1Confident88.9Confident29 Ų2944.9 Ų44.918%0.17623%0.229CC..THydrogen-bonded Turntrans-66.5-37.7174.2173.10000111.4H286 Q290 L291 K339H286-V288 VanDerWaalsContact C-N 3.26Å; H286-V288 PolarHBondContact O-N 3.3Å; V288-Q290 PolarHBondContact O-N 3.32Å; V288-L291 HydrophobicContact CG1-CD1 4.34Å; V288-L291 WeakPolarHBondContact O-CB 3.49Å; V288-L291 WeakPolarHBondContact O-CG 3.19Å; V288-L291 PolarHBondContact O-N 3.3Å; V288-L291 VanDerWaalsContact O-N 3.17Å; V288-K339 HydrophobicContact CG1-CB 3.7Å; V288-K339 HydrophobicContact CG1-CD 4.05Å; V288-K339 HydrophobicContact CG1-CG 4.48Å
289D80.6Confident89Confident112 Ų11247.7 Ų47.760%0.59924%0.242SC*.THydrogen-bonded Turntrans-67.7-21.6177.8-56.5-34.6000112.4H286 H287 L291H286-D289 HydrophobicContact CB-CB 4.4Å; H286-D289 IonicContact CG-OD2 3.28Å; H286-D289 IonicContact ND1-OD2 2.62Å; H286-D289 PolarHBondContact ND1-OD2 3.14Å; H286-D289 WeakPolarHBondContact O-CB 3.1Å; H286-D289 PolarHBondContact O-N 3.15Å; H286-D289 VanDerWaalsContact O-N 3.15Å; H287-D289 VanDerWaalsContact C-N 3.35Å; D289-L291 VanDerWaalsContact C-N 3.33Å
290Q83.4Confident89Confident109 Ų10943.3 Ų43.351%0.50922%0.223SC..THydrogen-bonded Turntrans-85.1-3177.4-65.5176.212.400113.5H286 H287 V288H286-Q290 WeakPolarHBondContact O-CG 3.41Å; H286-Q290 PolarHBondContact O-N 3.47Å; H287-Q290 PolarHBondContact O-N 2.71Å; V288-Q290 PolarHBondContact O-N 3.32Å
291L87.9Confident88.9Confident11 Ų1141.3 Ų41.36%0.05821%0.211CC..SBendtrans-70.7134.9176.6-62173.1000110.2V288 D289 M293 L300 I331 K339 L342 L346V288-L291 HydrophobicContact CG1-CD1 4.34Å; V288-L291 WeakPolarHBondContact O-CB 3.49Å; V288-L291 WeakPolarHBondContact O-CG 3.19Å; V288-L291 PolarHBondContact O-N 3.3Å; V288-L291 VanDerWaalsContact O-N 3.17Å; D289-L291 VanDerWaalsContact C-N 3.33Å; L291-M293 HydrophobicContact CB-CE 4.25Å; L291-M293 PolarHBondContact O-N 3.15Å; L291-L300 HydrophobicContact CD2-CD2 3.65Å; L291-I331 HydrophobicContact CB-CG2 4.25Å; L291-I331 HydrophobicContact CD1-CG2 4.42Å; L291-K339 HydrophobicContact CD1-CB 3.9Å; L291-K339 HydrophobicContact CD1-CG 4.36Å; L291-L342 HydrophobicContact CD1-CD2 4.38Å; L291-L346 HydrophobicContact CD2-CD1 3.71Å
292V90Very high88.9Confident56 Ų5644.4 Ų44.434%0.33922%0.224SC..  trans-72.7113.8173.8-179.80000107.8D294 V295 L300 I331V292-D294 WeakPolarHBondContact CG1-OD1 3.45Å; V292-V295 HydrophobicContact CB-CG2 3.96Å; V292-V295 HydrophobicContact CG1-CG1 3.97Å; V292-V295 HydrophobicContact CG1-CG2 3.88Å; V292-V295 WeakPolarHBondContact O-CG2 3.37Å; V292-L300 HydrophobicContact CB-CD1 4.07Å; V292-L300 HydrophobicContact CG2-CD1 4.13Å; V292-I331 VanDerWaalsContact O-CD1 3.29Å; V292-I331 WeakPolarHBondContact O-CD1 3.36Å
293M91.1Very high88.8Confident64 Ų6448.9 Ų48.932%0.31525%0.246SC..SBendtrans-83.6-20.8-165.2-61.5-66.7174.500114L291 I331 S332L291-M293 HydrophobicContact CB-CE 4.25Å; L291-M293 PolarHBondContact O-N 3.15Å; M293-I331 HydrophobicContact SD-CG2 3.92Å; M293-S332 WeakPolarHBondContact O-CB 3.46Å; M293-S332 PolarHBondContact O-N 3.18Å
294D92.1Very high88.7Confident119 Ų11954 Ų5464%0.63627%0.265SS*.SBendtrans-85.4-11.9-174.956.3-52000114.1V292V292-D294 WeakPolarHBondContact CG1-OD1 3.45Å
295V94.3Very high88.8Confident10 Ų1055 Ų556%0.06127%0.266CS..SBendtrans-101.8165179.8-56.70000111.5V292 E299 L300 I331V292-V295 HydrophobicContact CB-CG2 3.96Å; V292-V295 HydrophobicContact CG1-CG1 3.97Å; V292-V295 HydrophobicContact CG1-CG2 3.88Å; V292-V295 WeakPolarHBondContact O-CG2 3.37Å; V295-E299 HydrophobicContact CB-CB 4.08Å; V295-E299 WeakPolarHBondContact CB-OE2 3.5Å; V295-L300 HydrophobicContact CG2-CB 3.95Å; V295-L300 HydrophobicContact CG2-CD1 4.37Å; V295-I331 HydrophobicContact CG2-CD1 3.93Å; V295-I331 WeakPolarHBondContact O-CD1 3.43Å; V295-I331 VanDerWaalsContact O-CG1 3.24Å; V295-I331 WeakPolarHBondContact O-CG1 3.3Å; V295-I331 PolarHBondContact O-N 3.34Å
296N94.1Very high89.2Confident23 Ų2357.2 Ų57.212%0.12329%0.287CS..  trans-86.5162.3169.967.654.9000112.1V298 E299 L300 L328 Q329N296-V298 VanDerWaalsContact C-N 3.29Å; N296-V298 PolarHBondContact O-N 3.05Å; N296-V298 PolarHBondContact OD1-N 2.98Å; N296-V298 VanDerWaalsContact OD1-N 3.15Å; N296-E299 VanDerWaalsContact CG-CD 3.47Å; N296-E299 PolarHBondContact N-OE2 2.93Å; N296-E299 PolarHBondContact ND2-OE1 3.29Å; N296-E299 PolarHBondContact ND2-OE2 3.28Å; N296-E299 PolarHBondContact O-N 3.12Å; N296-E299 WeakPolarHBondContact OD1-CB 3.39Å; N296-E299 WeakPolarHBondContact OD1-CG 3.34Å; N296-E299 PolarHBondContact OD1-N 2.74Å; N296-L300 PolarHBondContact O-N 2.98Å; N296-L328 WeakPolarHBondContact CB-O 3.5Å; N296-Q329 VanDerWaalsContact CA-O 3.31Å; N296-Q329 WeakPolarHBondContact CA-O 3.37Å; N296-Q329 WeakPolarHBondContact CB-O 3.46Å
297P94.3Very high89.7Confident0 Ų055.8 Ų55.80%030%0.301CS..Hα-helixtrans-52.5-39.6178.8-34.639.2000115.6L300 V301 L317 I322 A327 Q329 I331 L334 L342P297-L300 PolarHBondContact O-N 2.85Å; P297-V301 WeakPolarHBondContact O-CG2 3.31Å; P297-V301 PolarHBondContact O-N 3.2Å; P297-V301 VanDerWaalsContact O-N 3.14Å; P297-L317 HydrophobicContact CB-CD1 3.89Å; P297-L317 HydrophobicContact CB-CD2 3.85Å; P297-I322 HydrophobicContact CB-CG2 4.18Å; P297-I322 HydrophobicContact CG-CG2 4.21Å; P297-A327 WeakPolarHBondContact CD-O 3.33Å; P297-Q329 WeakPolarHBondContact CD-O 3.2Å; P297-I331 HydrophobicContact CG-CG1 4.16Å; P297-L334 HydrophobicContact CG-CD1 4.17Å; P297-L342 HydrophobicContact CB-CD1 3.75Å; P297-L342 HydrophobicContact CB-CD2 4.33Å; P297-L342 HydrophobicContact CG-CD1 4.37Å; P297-L342 HydrophobicContact CG-CD2 4.16Å
298V93.4Very high90.2Very high3 Ų356.8 Ų56.82%0.01831%0.308CS..Hα-helixtrans-67.2-46.8179.9176.10000110.7N296 L300 V301 Q302 Y310 C313 R314 L317 A327N296-V298 VanDerWaalsContact C-N 3.29Å; N296-V298 PolarHBondContact O-N 3.05Å; N296-V298 PolarHBondContact OD1-N 2.98Å; N296-V298 VanDerWaalsContact OD1-N 3.15Å; V298-L300 VanDerWaalsContact C-N 3.29Å; V298-L300 PolarHBondContact O-N 2.87Å; V298-V301 PolarHBondContact O-N 2.8Å; V298-Q302 WeakPolarHBondContact O-CG 3.48Å; V298-Q302 PolarHBondContact O-N 2.89Å; V298-Q302 VanDerWaalsContact O-N 3.07Å; V298-Y310 HydrophobicContact CB-CE2 4.49Å; V298-Y310 HydrophobicContact CG1-CD2 3.68Å; V298-Y310 HydrophobicContact CG1-CE2 3.67Å; V298-Y310 HydrophobicContact CG2-CE2 4.44Å; V298-C313 HydrophobicContact CG1-CB 4.01Å; V298-R314 HydrophobicContact CG2-CG 4.47Å; V298-L317 HydrophobicContact CB-CD1 4.42Å; V298-L317 HydrophobicContact CG2-CD1 3.6Å; V298-A327 HydrophobicContact CG2-CB 4.08Å
299E94.2Very high90.9Very high82 Ų8262.1 Ų62.138%0.38333%0.329SS..Hα-helixtrans-58.6-42175.7-74.8165.3-176.900111.2V295 N296 V301 Q302 Q303V295-E299 HydrophobicContact CB-CB 4.08Å; V295-E299 WeakPolarHBondContact CB-OE2 3.5Å; N296-E299 VanDerWaalsContact CG-CD 3.47Å; N296-E299 PolarHBondContact N-OE2 2.93Å; N296-E299 PolarHBondContact ND2-OE1 3.29Å; N296-E299 PolarHBondContact ND2-OE2 3.28Å; N296-E299 PolarHBondContact O-N 3.12Å; N296-E299 WeakPolarHBondContact OD1-CB 3.39Å; N296-E299 WeakPolarHBondContact OD1-CG 3.34Å; N296-E299 PolarHBondContact OD1-N 2.74Å; E299-V301 PolarHBondContact O-N 2.92Å; E299-Q302 PolarHBondContact O-N 2.97Å; E299-Q303 WeakPolarHBondContact O-CB 3.39Å; E299-Q303 VanDerWaalsContact O-CG 3.32Å; E299-Q303 WeakPolarHBondContact O-CG 3.2Å; E299-Q303 PolarHBondContact O-N 3.41Å
300L94Very high91.3Very high9 Ų962 Ų625%0.04732%0.321CS..Hα-helixtrans-61.7-43178.3-17760.9000112.3L291 V292 V295 N296 P297 V298 Q302 Q303 R304 I331 L342 L346L291-L300 HydrophobicContact CD2-CD2 3.65Å; V292-L300 HydrophobicContact CB-CD1 4.07Å; V292-L300 HydrophobicContact CG2-CD1 4.13Å; V295-L300 HydrophobicContact CG2-CB 3.95Å; V295-L300 HydrophobicContact CG2-CD1 4.37Å; N296-L300 PolarHBondContact O-N 2.98Å; P297-L300 PolarHBondContact O-N 2.85Å; V298-L300 VanDerWaalsContact C-N 3.29Å; V298-L300 PolarHBondContact O-N 2.87Å; L300-Q302 VanDerWaalsContact C-N 3.32Å; L300-Q302 PolarHBondContact O-N 2.63Å; L300-Q303 PolarHBondContact O-N 3.31Å; L300-R304 WeakPolarHBondContact O-CB 3.35Å; L300-R304 PolarHBondContact O-N 2.84Å; L300-I331 HydrophobicContact CB-CD1 3.91Å; L300-I331 HydrophobicContact CD2-CD1 3.54Å; L300-I331 HydrophobicContact CG-CD1 4.3Å; L300-L342 HydrophobicContact CD2-CD2 4.1Å; L300-L342 HydrophobicContact CD2-CG 4.44Å; L300-L346 HydrophobicContact CD2-CD1 3.74Å; L300-L346 HydrophobicContact CD2-CD2 4.48Å; L300-L346 HydrophobicContact CG-CD1 4.19Å; L300-L346 HydrophobicContact CG-CD2 4.19Å
301V92.8Very high91.7Very high1 Ų164.2 Ų64.21%0.00633%0.331CS..Hα-helixtrans-60-45.5175.1175.10000110.2P297 V298 E299 R304 Y305 C313 L317 L346 V349P297-V301 WeakPolarHBondContact O-CG2 3.31Å; P297-V301 PolarHBondContact O-N 3.2Å; P297-V301 VanDerWaalsContact O-N 3.14Å; V298-V301 PolarHBondContact O-N 2.8Å; E299-V301 PolarHBondContact O-N 2.92Å; V301-R304 PolarHBondContact O-N 2.89Å; V301-Y305 PolarHBondContact O-N 3.47Å; V301-C313 HydrophobicContact CB-CB 4.36Å; V301-C313 HydrophobicContact CG1-CB 4.12Å; V301-L317 HydrophobicContact CG2-CD2 4.22Å; V301-L317 HydrophobicContact CG2-CG 4.33Å; V301-L346 HydrophobicContact CB-CD2 4.36Å; V301-L346 HydrophobicContact CG2-CD2 3.71Å; V301-V349 HydrophobicContact CG1-CG2 4.05Å
302Q93.1Very high91.8Very high73 Ų7368.6 Ų68.634%0.34135%0.351SS..Hα-helixtrans-67.9-35.7-179.4-69-175.4-47.800113.2V298 E299 L300 Y305 P306 C313V298-Q302 WeakPolarHBondContact O-CG 3.48Å; V298-Q302 PolarHBondContact O-N 2.89Å; V298-Q302 VanDerWaalsContact O-N 3.07Å; E299-Q302 PolarHBondContact O-N 2.97Å; L300-Q302 VanDerWaalsContact C-N 3.32Å; L300-Q302 PolarHBondContact O-N 2.63Å; Q302-Y305 CarbonylContact O-C 3.31Å; Q302-Y305 VanDerWaalsContact O-C 3.31Å; Q302-P306 WeakPolarHBondContact O-CA 3.12Å; Q302-C313 VanDerWaalsContact CG-SG 3.6Å
303Q92.3Very high91.8Very high112 Ų11266 Ų6652%0.52334%0.336SS..Hα-helixtrans-66.1-42.4174.7-75.8-178.86.800111.6E299 L300E299-Q303 WeakPolarHBondContact O-CB 3.39Å; E299-Q303 VanDerWaalsContact O-CG 3.32Å; E299-Q303 WeakPolarHBondContact O-CG 3.2Å; E299-Q303 PolarHBondContact O-N 3.41Å; L300-Q303 PolarHBondContact O-N 3.31Å
304R90.4Very high91.8Very high114 Ų11467 Ų6743%0.4334%0.336SS..Hα-helixtrans-78.4-29.8-178.5-164.1153-178.8148.4-7.3112.9L300 V301L300-R304 WeakPolarHBondContact O-CB 3.35Å; L300-R304 PolarHBondContact O-N 2.84Å; V301-R304 PolarHBondContact O-N 2.89Å
305Y91.2Very high91.7Very high46 Ų4664.1 Ų64.118%0.1833%0.325CS..SBendtrans-128.976.6177.7-56.1-72.8000110.7V301 Q302 G307 T308 L346 V349 M350V301-Y305 PolarHBondContact O-N 3.47Å; Q302-Y305 CarbonylContact O-C 3.31Å; Q302-Y305 VanDerWaalsContact O-C 3.31Å; Y305-G307 PolarHBondContact O-N 2.63Å; Y305-T308 WeakPolarHBondContact O-CB 3.12Å; Y305-T308 WeakPolarHBondContact O-CG2 3.48Å; Y305-T308 PolarHBondContact O-N 2.94Å; Y305-T308 PolarHBondContact O-OG1 3.44Å; Y305-L346 WeakPolarHBondContact CE2-O 3.25Å; Y305-L346 PolarHBondContact OH-O 3.16Å; Y305-V349 HydrophobicContact CD1-CG1 4.39Å; Y305-V349 HydrophobicContact CD2-CB 3.9Å; Y305-V349 HydrophobicContact CD2-CG1 3.71Å; Y305-V349 HydrophobicContact CD2-CG2 4.1Å; Y305-V349 HydrophobicContact CE2-CB 3.81Å; Y305-V349 HydrophobicContact CE2-CG1 4.12Å; Y305-V349 HydrophobicContact CE2-CG2 4.1Å; Y305-V349 HydrophobicContact CG-CB 4.46Å; Y305-V349 HydrophobicContact CG-CG1 3.86Å; Y305-M350 HydrophobicContact CD1-CG 4.46Å; Y305-M350 HydrophobicContact CD1-SD 3.79Å; Y305-M350 HydrophobicContact CE1-CG 3.53Å; Y305-M350 HydrophobicContact CE1-SD 3.34Å; Y305-M350 WeakPolarHBondContact CE1-SD 3.43Å
306P90Very high91.5Very high113 Ų11364 Ų6473%0.73433%0.326SS*.THydrogen-bonded Turntrans-56.5133.4178.7-24.934.6000111.7Q302Q302-P306 WeakPolarHBondContact O-CA 3.12Å
307G88.4Confident91.5Very high80 Ų8063 Ų6383%0.82532%0.32SS*.THydrogen-bonded Turntrans96.9-7.6-178.200000114.9Y305 K309Y305-G307 PolarHBondContact O-N 2.63Å; G307-K309 PolarHBondContact O-N 3.11Å
308T89.3Confident91.3Very high27 Ų2764.2 Ų64.217%0.16633%0.333CS..  trans-64.2128.7169.746.30000110.9Y305 C313 V349Y305-T308 WeakPolarHBondContact O-CB 3.12Å; Y305-T308 WeakPolarHBondContact O-CG2 3.48Å; Y305-T308 PolarHBondContact O-N 2.94Å; Y305-T308 PolarHBondContact O-OG1 3.44Å; T308-C313 PolarHBondContact OG1-SG 3.43Å; T308-V349 HydrophobicContact CG2-CG1 4.17Å
309K91.7Very high91.1Very high140 Ų14068.2 Ų68.261%0.60935%0.348SS*.  trans-70.8151.4179.5-66.8178.8-179.3174.50110.3G307 E311 E312 C313G307-K309 PolarHBondContact O-N 3.11Å; K309-E311 VanDerWaalsContact C-N 3.26Å; K309-E311 PolarHBondContact O-N 2.95Å; K309-E312 HydrophobicContact CB-CB 4.39Å; K309-E312 HydrophobicContact CB-CG 4.1Å; K309-E312 PolarHBondContact N-OE2 3.43Å; K309-E312 WeakPolarHBondContact O-CB 3.44Å; K309-E312 PolarHBondContact O-N 2.76Å; K309-C313 PolarHBondContact O-N 3.12Å; K309-C313 PolarHBondContact O-SG 2.93Å
310Y89.9Confident91Very high109 Ų10964.3 Ų64.343%0.42733%0.329SS..Hα-helixtrans-54.2-42.1178.4-177-98.6000112.5V298 C313 R314V298-Y310 HydrophobicContact CB-CE2 4.49Å; V298-Y310 HydrophobicContact CG1-CD2 3.68Å; V298-Y310 HydrophobicContact CG1-CE2 3.67Å; V298-Y310 HydrophobicContact CG2-CE2 4.44Å; Y310-C313 WeakPolarHBondContact O-CB 3.02Å; Y310-C313 PolarHBondContact O-N 2.88Å; Y310-R314 HydrophobicContact CD1-CG 4.41Å; Y310-R314 HydrophobicContact CE1-CG 4.04Å; Y310-R314 WeakPolarHBondContact O-CG 3.38Å; Y310-R314 PolarHBondContact O-N 3.02Å; Y310-R314 PolarHBondContact OH-NH1 3.39Å; Y310-R314 VanDerWaalsContact OH-NH1 3.07Å
311E90.9Very high90.7Very high156 Ų15665 Ų6573%0.72934%0.338SS*.Hα-helixtrans-65.6-38.6176.8-66.7179.8174.800113K309 R314 S315K309-E311 VanDerWaalsContact C-N 3.26Å; K309-E311 PolarHBondContact O-N 2.95Å; E311-R314 PolarHBondContact O-N 2.53Å; E311-S315 WeakPolarHBondContact O-CB 3.47Å; E311-S315 PolarHBondContact O-N 3.25Å
312E89.5Confident90.6Very high104 Ų10465 Ų6549%0.48634%0.339SS..Hα-helixtrans-66.3-40.7176.2-67.9169.4179.300110.9K309 S315 A316K309-E312 HydrophobicContact CB-CB 4.39Å; K309-E312 HydrophobicContact CB-CG 4.1Å; K309-E312 PolarHBondContact N-OE2 3.43Å; K309-E312 WeakPolarHBondContact O-CB 3.44Å; K309-E312 PolarHBondContact O-N 2.76Å; E312-S315 PolarHBondContact O-N 3.16Å; E312-A316 WeakPolarHBondContact O-CB 3.41Å; E312-A316 PolarHBondContact O-N 2.99Å
313C91.2Very high90.5Very high1 Ų165.7 Ų65.71%0.00735%0.347CS..Hα-helixtrans-59.7-49.4173.6-60.50000110.7V298 V301 Q302 T308 K309 Y310 S315 A316 L317V298-C313 HydrophobicContact CG1-CB 4.01Å; V301-C313 HydrophobicContact CB-CB 4.36Å; V301-C313 HydrophobicContact CG1-CB 4.12Å; Q302-C313 VanDerWaalsContact CG-SG 3.6Å; T308-C313 PolarHBondContact OG1-SG 3.43Å; K309-C313 PolarHBondContact O-N 3.12Å; K309-C313 PolarHBondContact O-SG 2.93Å; Y310-C313 WeakPolarHBondContact O-CB 3.02Å; Y310-C313 PolarHBondContact O-N 2.88Å; C313-S315 VanDerWaalsContact C-N 3.31Å; C313-S315 PolarHBondContact O-N 2.93Å; C313-A316 PolarHBondContact O-N 3.37Å; C313-L317 WeakPolarHBondContact O-CB 3.45Å; C313-L317 VanDerWaalsContact O-CG 3.28Å; C313-L317 WeakPolarHBondContact O-CG 3.38Å; C313-L317 PolarHBondContact O-N 2.94Å
314R91.1Very high90.3Very high84 Ų8462 Ų6232%0.31734%0.339SS..Hα-helixtrans-62.3-37.9177-71.6-170.874.792.93.6112.4V298 Y310 E311 G318V298-R314 HydrophobicContact CG2-CG 4.47Å; Y310-R314 HydrophobicContact CD1-CG 4.41Å; Y310-R314 HydrophobicContact CE1-CG 4.04Å; Y310-R314 WeakPolarHBondContact O-CG 3.38Å; Y310-R314 PolarHBondContact O-N 3.02Å; Y310-R314 PolarHBondContact OH-NH1 3.39Å; Y310-R314 VanDerWaalsContact OH-NH1 3.07Å; E311-R314 PolarHBondContact O-N 2.53Å; R314-G318 PolarHBondContact O-N 3Å
315S90.1Very high90.2Very high59 Ų5962.9 Ų62.941%0.41335%0.353SS..Hα-helixtrans-65.5-43.3175.7-175.10000111.7E311 E312 C313 G318 R319E311-S315 WeakPolarHBondContact O-CB 3.47Å; E311-S315 PolarHBondContact O-N 3.25Å; E312-S315 PolarHBondContact O-N 3.16Å; C313-S315 VanDerWaalsContact C-N 3.31Å; C313-S315 PolarHBondContact O-N 2.93Å; S315-G318 PolarHBondContact O-N 3.49Å; S315-R319 PolarHBondContact O-N 3.42Å; S315-R319 PolarHBondContact O-NH1 3.3Å; S315-R319 PolarHBondContact OG-NH1 3.49Å
316A90Very high90.1Very high9 Ų962.1 Ų62.17%0.07435%0.351CS..Hα-helixtrans-62.6-48.6176.900000111.1E312 C313 G318 R319 F320 V349E312-A316 WeakPolarHBondContact O-CB 3.41Å; E312-A316 PolarHBondContact O-N 2.99Å; C313-A316 PolarHBondContact O-N 3.37Å; A316-G318 PolarHBondContact O-N 2.94Å; A316-R319 PolarHBondContact O-N 2.81Å; A316-F320 WeakPolarHBondContact O-CD2 3.46Å; A316-V349 HydrophobicContact CB-CG2 4.14Å
317L92.9Very high90.1Very high0 Ų056.8 Ų56.80%032%0.317CS..Hα-helixtrans-62.2-40.9176.6-69.7170.4000112.7P297 V298 V301 C313 R319 F320 I322 A327 L342 S345P297-L317 HydrophobicContact CB-CD1 3.89Å; P297-L317 HydrophobicContact CB-CD2 3.85Å; V298-L317 HydrophobicContact CB-CD1 4.42Å; V298-L317 HydrophobicContact CG2-CD1 3.6Å; V301-L317 HydrophobicContact CG2-CD2 4.22Å; V301-L317 HydrophobicContact CG2-CG 4.33Å; C313-L317 WeakPolarHBondContact O-CB 3.45Å; C313-L317 VanDerWaalsContact O-CG 3.28Å; C313-L317 WeakPolarHBondContact O-CG 3.38Å; C313-L317 PolarHBondContact O-N 2.94Å; L317-R319 PolarHBondContact O-N 2.91Å; L317-F320 PolarHBondContact O-N 2.87Å; L317-I322 CarbonylContact C-O 3.48Å; L317-I322 HydrophobicContact CB-CB 4.05Å; L317-I322 HydrophobicContact CB-CG2 4.26Å; L317-I322 WeakPolarHBondContact CB-O 3.21Å; L317-I322 HydrophobicContact CD2-CB 4.29Å; L317-I322 HydrophobicContact CD2-CD1 4.21Å; L317-I322 HydrophobicContact CD2-CG2 4.14Å; L317-I322 PolarHBondContact O-N 2.89Å; L317-I322 VanDerWaalsContact O-N 3.11Å; L317-A327 HydrophobicContact CD1-CB 4.2Å; L317-L342 HydrophobicContact CD2-CD1 3.53Å; L317-S345 WeakPolarHBondContact CD2-OG 3.3Å
318G91Very high90.1Very high26 Ų2657 Ų5727%0.26830%0.299SS..Hα-helixtrans-62.3-28.3-179.300000114.1R314 S315 A316 F320 G321R314-G318 PolarHBondContact O-N 3Å; S315-G318 PolarHBondContact O-N 3.49Å; A316-G318 PolarHBondContact O-N 2.94Å; G318-F320 PolarHBondContact O-N 3.49Å; G318-G321 PolarHBondContact O-N 2.92Å
319R89.6Confident90.3Very high88 Ų8858.8 Ų58.833%0.33231%0.305SS..THydrogen-bonded Turntrans-65.2-16.9173.2-72.1178.1-178.277.9-0.1113.7I202 K203 S315 A316 L317I202-R319 CarbonylContact C-O 3.58Å; K203-R319 HydrophobicContact CB-CB 4.27Å; K203-R319 PolarHBondContact N-O 2.9Å; K203-R319 WeakPolarHBondContact O-CB 3.47Å; S315-R319 PolarHBondContact O-N 3.42Å; S315-R319 PolarHBondContact O-NH1 3.3Å; S315-R319 PolarHBondContact OG-NH1 3.49Å; A316-R319 PolarHBondContact O-N 2.81Å; L317-R319 PolarHBondContact O-N 2.91Å
320F91.9Very high90.4Very high0 Ų060 Ų600%031%0.306CS..THydrogen-bonded Turntrans-113.217.6179.8-63.1-94.4000111.6V201 I202 F204 A316 L317 G318 I322 R341 F344 S345 S348V201-F320 CarbonylContact O-C 3.54Å; V201-F320 WeakPolarHBondContact O-CA 3.43Å; I202-F320 HydrophobicContact CB-CD1 4.31Å; I202-F320 HydrophobicContact CG1-CD1 4.32Å; I202-F320 HydrophobicContact CG2-CD1 3.75Å; I202-F320 HydrophobicContact CG2-CE1 3.54Å; F204-F320 HydrophobicContact CD1-CE1 4.46Å; F204-F320 AromaticContact CD1-CZ 4Å; F204-F320 HydrophobicContact CD1-CZ 4Å; F204-F320 HydrophobicContact CE1-CE1 4.11Å; F204-F320 HydrophobicContact CE1-CZ 4.02Å; F204-F320 HydrophobicContact CZ-CE1 4.38Å; A316-F320 WeakPolarHBondContact O-CD2 3.46Å; L317-F320 PolarHBondContact O-N 2.87Å; G318-F320 PolarHBondContact O-N 3.49Å; F320-I322 PolarHBondContact O-N 3.36Å; F320-R341 HydrophobicContact CB-CB 4.24Å; F320-R341 WeakPolarHBondContact O-CD 3.46Å; F320-R341 PolarHBondContact O-NH1 3.45Å; F320-F344 HydrophobicContact CD1-CB 3.67Å; F320-F344 HydrophobicContact CE1-CB 3.34Å; F320-F344 HydrophobicContact CE1-CG 4.43Å; F320-F344 HydrophobicContact CZ-CB 4.14Å; F320-S345 VanDerWaalsContact CD2-CA 3.49Å; F320-S348 WeakPolarHBondContact CE2-OG 3.35Å
321G88.3Confident90.6Very high23 Ų2354.8 Ų54.824%0.23729%0.286CS..THydrogen-bonded Turntrans68.316.7-179.600000114.5V201 G318 T323V201-G321 PolarHBondContact O-N 2.82Å; G318-G321 PolarHBondContact O-N 2.92Å; G321-T323 PolarHBondContact O-N 3.14Å
322I90.7Very high90.6Very high2 Ų250.4 Ų50.41%0.0127%0.272CS..  trans-92.485.7174.9-57.6174.4000108.2P297 L317 F320 L326 A327 R341 L342P297-I322 HydrophobicContact CB-CG2 4.18Å; P297-I322 HydrophobicContact CG-CG2 4.21Å; L317-I322 CarbonylContact C-O 3.48Å; L317-I322 HydrophobicContact CB-CB 4.05Å; L317-I322 HydrophobicContact CB-CG2 4.26Å; L317-I322 WeakPolarHBondContact CB-O 3.21Å; L317-I322 HydrophobicContact CD2-CB 4.29Å; L317-I322 HydrophobicContact CD2-CD1 4.21Å; L317-I322 HydrophobicContact CD2-CG2 4.14Å; L317-I322 PolarHBondContact O-N 2.89Å; L317-I322 VanDerWaalsContact O-N 3.11Å; F320-I322 PolarHBondContact O-N 3.36Å; I322-L326 HydrophobicContact CG1-CD2 4.42Å; I322-L326 HydrophobicContact CG2-CB 4.47Å; I322-L326 HydrophobicContact CG2-CD2 4.49Å; I322-L326 HydrophobicContact CG2-CG 4.25Å; I322-A327 HydrophobicContact CG2-CB 4.12Å; I322-R341 HydrophobicContact CD1-CB 4.34Å; I322-L342 VanDerWaalsContact CD1-CA 3.44Å; I322-L342 HydrophobicContact CD1-CB 3.64Å; I322-L342 HydrophobicContact CD1-CD1 4.13Å; I322-L342 HydrophobicContact CD1-CG 4.48Å
323T89.7Confident90.7Very high86 Ų8649.7 Ų49.753%0.52828%0.275SS..  trans-125.4166.7-174.256.40000112.4G321 D325 L326G321-T323 PolarHBondContact O-N 3.14Å; T323-D325 PolarHBondContact O-N 3.17Å; T323-L326 WeakPolarHBondContact O-CB 3.39Å; T323-L326 PolarHBondContact O-N 3.28Å
324G88.3Confident90.6Very high34 Ų3450 Ų5035%0.35128%0.276SS..G310 helixtrans60.1-131.2175.400000112.2L326 A327G324-L326 VanDerWaalsContact C-N 3.3Å; G324-L326 PolarHBondContact O-N 2.82Å; G324-A327 PolarHBondContact O-N 2.88Å
325D88.6Confident90.4Very high133 Ų13348.8 Ų48.871%0.71128%0.281SS*.G310 helixtrans-72.2-22.4-179.4-60.9-28000112.9T323 A327 L328 Q329T323-D325 PolarHBondContact O-N 3.17Å; D325-A327 PolarHBondContact O-N 2.8Å; D325-L328 PolarHBondContact O-N 2.92Å; D325-Q329 PolarHBondContact O-N 2.87Å
326L88.6Confident90Very high30 Ų3047.7 Ų47.716%0.15728%0.279CS..G310 helixtrans-61.5-30.7176.1-164.265000112I322 T323 G324 L328 Q329 L334 Q338I322-L326 HydrophobicContact CG1-CD2 4.42Å; I322-L326 HydrophobicContact CG2-CB 4.47Å; I322-L326 HydrophobicContact CG2-CD2 4.49Å; I322-L326 HydrophobicContact CG2-CG 4.25Å; T323-L326 WeakPolarHBondContact O-CB 3.39Å; T323-L326 PolarHBondContact O-N 3.28Å; G324-L326 VanDerWaalsContact C-N 3.3Å; G324-L326 PolarHBondContact O-N 2.82Å; L326-L328 VanDerWaalsContact C-N 3.3Å; L326-Q329 HydrophobicContact CD1-CG 4.38Å; L326-Q329 VanDerWaalsContact CD1-NE2 3.26Å; L326-L334 HydrophobicContact CD1-CD2 3.27Å; L326-L334 HydrophobicContact CG-CD2 3.96Å; L326-Q338 HydrophobicContact CD2-CG 4.37Å
327A90Very high89.7Confident1 Ų147.5 Ų47.51%0.00828%0.278CS..G310 helixtrans-78.1-13.5176.800000113.6P297 V298 L317 I322 G324 D325P297-A327 WeakPolarHBondContact CD-O 3.33Å; V298-A327 HydrophobicContact CG2-CB 4.08Å; L317-A327 HydrophobicContact CD1-CB 4.2Å; I322-A327 HydrophobicContact CG2-CB 4.12Å; G324-A327 PolarHBondContact O-N 2.88Å; D325-A327 PolarHBondContact O-N 2.8Å
328L89.9Confident89.5Confident84 Ų8449.7 Ų49.744%0.4429%0.288SS..THydrogen-bonded Turntrans-112.8-16.9-174.2-62.1179.3000113.5N296 D325 L326N296-L328 WeakPolarHBondContact CB-O 3.5Å; D325-L328 PolarHBondContact O-N 2.92Å; L326-L328 VanDerWaalsContact C-N 3.3Å
329Q93Very high89.5Confident65 Ų6550.3 Ų50.330%0.30428%0.283SS..SBendtrans-73.5160.6172.669-179.5-90.100111.9N296 P297 D325 L326 T333 L334N296-Q329 VanDerWaalsContact CA-O 3.31Å; N296-Q329 WeakPolarHBondContact CA-O 3.37Å; N296-Q329 WeakPolarHBondContact CB-O 3.46Å; P297-Q329 WeakPolarHBondContact CD-O 3.2Å; D325-Q329 PolarHBondContact O-N 2.87Å; L326-Q329 HydrophobicContact CD1-CG 4.38Å; L326-Q329 VanDerWaalsContact CD1-NE2 3.26Å; Q329-T333 PolarHBondContact OE1-OG1 3.39Å; Q329-L334 HydrophobicContact CG-CD2 3.95Å
330R93.8Very high89.4Confident166 Ų16646.3 Ų46.363%0.62627%0.269SS*.  trans-66.3143.4177.7-69.7-178.8176161.1-0.5110.8S332 T333R330-S332 PolarHBondContact O-N 3.23Å; R330-T333 PolarHBondContact O-N 3.43Å; R330-T333 PolarHBondContact O-OG1 3.25Å
331I93Very high89.4Confident0 Ų047.8 Ų47.80%028%0.275CS..G310 helixtrans-62.3-27.5178.9-68.7164.7000111.7L291 V292 M293 V295 P297 L300 T333 L334 K339 L342L291-I331 HydrophobicContact CB-CG2 4.25Å; L291-I331 HydrophobicContact CD1-CG2 4.42Å; V292-I331 VanDerWaalsContact O-CD1 3.29Å; V292-I331 WeakPolarHBondContact O-CD1 3.36Å; M293-I331 HydrophobicContact SD-CG2 3.92Å; V295-I331 HydrophobicContact CG2-CD1 3.93Å; V295-I331 WeakPolarHBondContact O-CD1 3.43Å; V295-I331 VanDerWaalsContact O-CG1 3.24Å; V295-I331 WeakPolarHBondContact O-CG1 3.3Å; V295-I331 PolarHBondContact O-N 3.34Å; P297-I331 HydrophobicContact CG-CG1 4.16Å; L300-I331 HydrophobicContact CB-CD1 3.91Å; L300-I331 HydrophobicContact CD2-CD1 3.54Å; L300-I331 HydrophobicContact CG-CD1 4.3Å; I331-T333 PolarHBondContact O-N 3.29Å; I331-L334 HydrophobicContact CB-CD1 4.38Å; I331-L334 HydrophobicContact CG1-CD1 4.21Å; I331-L334 HydrophobicContact CG2-CD1 4.33Å; I331-L334 WeakPolarHBondContact O-CB 3.43Å; I331-L334 PolarHBondContact O-N 2.86Å; I331-L334 VanDerWaalsContact O-N 3.15Å; I331-K339 HydrophobicContact CG2-CG 4.4Å; I331-K339 WeakPolarHBondContact O-CE 3.44Å; I331-L342 HydrophobicContact CD1-CD2 3.58Å; I331-L342 HydrophobicContact CG1-CD2 3.62Å; I331-L342 HydrophobicContact CG2-CD2 4.16Å
332S91.5Very high89.5Confident63 Ų6346.7 Ų46.744%0.44126%0.263SS..G310 helixtrans-58.9-28.2174.561.10000114.5M293 R330M293-S332 WeakPolarHBondContact O-CB 3.46Å; M293-S332 PolarHBondContact O-N 3.18Å; R330-S332 PolarHBondContact O-N 3.23Å
333T91.5Very high89.6Confident89 Ų8946.6 Ų46.655%0.54626%0.263SS..G310 helixtrans-87.1-7.8179.860.30000113.4Q329 R330 I331Q329-T333 PolarHBondContact OE1-OG1 3.39Å; R330-T333 PolarHBondContact O-N 3.43Å; R330-T333 PolarHBondContact O-OG1 3.25Å; I331-T333 PolarHBondContact O-N 3.29Å
334L89.8Confident89.7Confident7 Ų742.5 Ų42.54%0.03724%0.238CC..SBendtrans-74144.1178.7-60.1-178.4000111.8P297 L326 Q329 I331 Q338 K339 L342P297-L334 HydrophobicContact CG-CD1 4.17Å; L326-L334 HydrophobicContact CD1-CD2 3.27Å; L326-L334 HydrophobicContact CG-CD2 3.96Å; Q329-L334 HydrophobicContact CG-CD2 3.95Å; I331-L334 HydrophobicContact CB-CD1 4.38Å; I331-L334 HydrophobicContact CG1-CD1 4.21Å; I331-L334 HydrophobicContact CG2-CD1 4.33Å; I331-L334 WeakPolarHBondContact O-CB 3.43Å; I331-L334 PolarHBondContact O-N 2.86Å; I331-L334 VanDerWaalsContact O-N 3.15Å; L334-Q338 HydrophobicContact CB-CB 3.93Å; L334-Q338 HydrophobicContact CD2-CB 4.34Å; L334-K339 HydrophobicContact CB-CG 3.8Å; L334-K339 WeakPolarHBondContact O-CE 3.39Å; L334-K339 PolarHBondContact O-NZ 3.38Å; L334-L342 HydrophobicContact CD1-CD2 4.13Å
335S85.8Confident89.9Confident59 Ų5940.9 Ų40.941%0.41322%0.221SC..  trans-66.8164.6170.276.10000111.8G337 Q338 K339S335-G337 PolarHBondContact O-N 3.19Å; S335-Q338 PolarHBondContact O-N 3.47Å; S335-Q338 VanDerWaalsContact O-N 3.17Å; S335-Q338 VanDerWaalsContact OG-CG 3.29Å; S335-Q338 WeakPolarHBondContact OG-CG 3.44Å; S335-Q338 PolarHBondContact OG-N 3.48Å; S335-K339 WeakPolarHBondContact O-CG 3.16Å; S335-K339 PolarHBondContact O-N 2.94Å
336G82Confident90Very high37 Ų3734.6 Ų34.638%0.38119%0.188SC..Hα-helixtrans-53.7-51.4175.900000112.6Q338 K339 S340G336-Q338 VanDerWaalsContact C-N 3.33Å; G336-Q338 PolarHBondContact O-N 3.38Å; G336-K339 WeakPolarHBondContact O-CB 3.37Å; G336-K339 PolarHBondContact O-N 3.25Å; G336-K339 VanDerWaalsContact O-N 3.14Å; G336-S340 PolarHBondContact O-N 2.72Å; G336-S340 PolarHBondContact O-OG 3.47Å
337G83.8Confident90.1Very high5 Ų533.9 Ų33.95%0.05218%0.184CC..Hα-helixtrans-60.2-37.8175.800000113.7S335 S340 R341S335-G337 PolarHBondContact O-N 3.19Å; G337-S340 PolarHBondContact O-N 3.21Å; G337-R341 WeakPolarHBondContact O-CG 3.11Å; G337-R341 PolarHBondContact O-N 2.85Å
338Q88.9Confident90.1Very high45 Ų4534 Ų3421%0.2118%0.184CC..Hα-helixtrans-66.6-39.3174.5-72.7169.3-9.100112.3L326 L334 S335 G336 R341 L342L326-Q338 HydrophobicContact CD2-CG 4.37Å; L334-Q338 HydrophobicContact CB-CB 3.93Å; L334-Q338 HydrophobicContact CD2-CB 4.34Å; S335-Q338 PolarHBondContact O-N 3.47Å; S335-Q338 VanDerWaalsContact O-N 3.17Å; S335-Q338 VanDerWaalsContact OG-CG 3.29Å; S335-Q338 WeakPolarHBondContact OG-CG 3.44Å; S335-Q338 PolarHBondContact OG-N 3.48Å; G336-Q338 VanDerWaalsContact C-N 3.33Å; G336-Q338 PolarHBondContact O-N 3.38Å; Q338-R341 PolarHBondContact O-N 3.07Å; Q338-L342 PolarHBondContact O-N 3.49Å
339K90.7Very high90Very high39 Ų3931.8 Ų31.817%0.1717%0.174CC..Hα-helixtrans-65.8-39.6175-70.7173.4179.3164.60112V288 L291 I331 L334 S335 G336 L342 A343V288-K339 HydrophobicContact CG1-CB 3.7Å; V288-K339 HydrophobicContact CG1-CD 4.05Å; V288-K339 HydrophobicContact CG1-CG 4.48Å; L291-K339 HydrophobicContact CD1-CB 3.9Å; L291-K339 HydrophobicContact CD1-CG 4.36Å; I331-K339 HydrophobicContact CG2-CG 4.4Å; I331-K339 WeakPolarHBondContact O-CE 3.44Å; L334-K339 HydrophobicContact CB-CG 3.8Å; L334-K339 WeakPolarHBondContact O-CE 3.39Å; L334-K339 PolarHBondContact O-NZ 3.38Å; S335-K339 WeakPolarHBondContact O-CG 3.16Å; S335-K339 PolarHBondContact O-N 2.94Å; G336-K339 WeakPolarHBondContact O-CB 3.37Å; G336-K339 PolarHBondContact O-N 3.25Å; G336-K339 VanDerWaalsContact O-N 3.14Å; K339-L342 WeakPolarHBondContact O-CB 3.4Å; K339-L342 PolarHBondContact O-N 3.19Å; K339-A343 PolarHBondContact O-N 3.11Å
340S88.3Confident89.8Confident4 Ų433.1 Ų33.13%0.02818%0.182CC..Hα-helixtrans-64.2-42.3173.8-63.90000111.8G336 G337 L342 A343 F344 L364G336-S340 PolarHBondContact O-N 2.72Å; G336-S340 PolarHBondContact O-OG 3.47Å; G337-S340 PolarHBondContact O-N 3.21Å; S340-L342 VanDerWaalsContact C-N 3.29Å; S340-L342 PolarHBondContact O-N 3.37Å; S340-A343 WeakPolarHBondContact O-CB 3.45Å; S340-A343 PolarHBondContact O-N 3.35Å; S340-A343 VanDerWaalsContact O-N 3.12Å; S340-F344 WeakPolarHBondContact O-CD2 3.48Å; S340-F344 PolarHBondContact O-N 3.14Å; S340-L364 WeakPolarHBondContact OG-CD2 3.36Å
341R90.5Very high89.7Confident32 Ų3231.2 Ų31.212%0.12118%0.178CC..Hα-helixtrans-59.6-39.5172.4-74.6-171.3-69.4146.3-18.1112.5I202 F320 I322 G337 Q338 F344 S345 T368I202-R341 HydrophobicContact CD1-CG 4.32Å; I202-R341 HydrophobicContact CG1-CG 4.41Å; F320-R341 HydrophobicContact CB-CB 4.24Å; F320-R341 WeakPolarHBondContact O-CD 3.46Å; F320-R341 PolarHBondContact O-NH1 3.45Å; I322-R341 HydrophobicContact CD1-CB 4.34Å; G337-R341 WeakPolarHBondContact O-CG 3.11Å; G337-R341 PolarHBondContact O-N 2.85Å; Q338-R341 PolarHBondContact O-N 3.07Å; R341-F344 PolarHBondContact O-N 3.44Å; R341-S345 WeakPolarHBondContact O-CB 3.46Å; R341-S345 PolarHBondContact O-N 3.45Å; R341-T368 HydrophobicContact CG-CG2 4.17Å
342L92.4Very high89.8Confident0 Ų031.3 Ų31.30%018%0.178CC..Hα-helixtrans-62.5-46173177.357.5000111L291 P297 L300 L317 I322 I331 L334 Q338 K339 S340 F344 S345 L346L291-L342 HydrophobicContact CD1-CD2 4.38Å; P297-L342 HydrophobicContact CB-CD1 3.75Å; P297-L342 HydrophobicContact CB-CD2 4.33Å; P297-L342 HydrophobicContact CG-CD1 4.37Å; P297-L342 HydrophobicContact CG-CD2 4.16Å; L300-L342 HydrophobicContact CD2-CD2 4.1Å; L300-L342 HydrophobicContact CD2-CG 4.44Å; L317-L342 HydrophobicContact CD2-CD1 3.53Å; I322-L342 VanDerWaalsContact CD1-CA 3.44Å; I322-L342 HydrophobicContact CD1-CB 3.64Å; I322-L342 HydrophobicContact CD1-CD1 4.13Å; I322-L342 HydrophobicContact CD1-CG 4.48Å; I331-L342 HydrophobicContact CD1-CD2 3.58Å; I331-L342 HydrophobicContact CG1-CD2 3.62Å; I331-L342 HydrophobicContact CG2-CD2 4.16Å; L334-L342 HydrophobicContact CD1-CD2 4.13Å; Q338-L342 PolarHBondContact O-N 3.49Å; K339-L342 WeakPolarHBondContact O-CB 3.4Å; K339-L342 PolarHBondContact O-N 3.19Å; S340-L342 VanDerWaalsContact C-N 3.29Å; S340-L342 PolarHBondContact O-N 3.37Å; L342-F344 PolarHBondContact O-N 3.03Å; L342-S345 WeakPolarHBondContact O-CB 3.46Å; L342-S345 PolarHBondContact O-N 3.25Å; L342-S345 VanDerWaalsContact O-N 3.11Å; L342-S345 PolarHBondContact O-OG 2.97Å; L342-L346 WeakPolarHBondContact O-CG 3.44Å; L342-L346 PolarHBondContact O-N 3.27Å
343A91.6Very high89.9Confident0 Ų028.6 Ų28.60%016%0.159CC..Hα-helixtrans-58.6-45.2176.800000112.3F283 H287 K339 S340 S345 L346 L347F283-A343 HydrophobicContact CD2-CB 4.43Å; F283-A343 HydrophobicContact CE2-CB 3.72Å; H287-A343 WeakPolarHBondContact ND1-CB 3.47Å; K339-A343 PolarHBondContact O-N 3.11Å; S340-A343 WeakPolarHBondContact O-CB 3.45Å; S340-A343 PolarHBondContact O-N 3.35Å; S340-A343 VanDerWaalsContact O-N 3.12Å; A343-S345 VanDerWaalsContact C-N 3.31Å; A343-S345 PolarHBondContact O-N 3.02Å; A343-L346 PolarHBondContact O-N 2.97Å; A343-L347 PolarHBondContact O-N 2.63Å
344F92Very high90.1Very high0 Ų024.4 Ų24.40%013%0.133CC..Hα-helixtrans-63.6-37.8174.4-64.8-56000112.4F204 F283 F320 S340 R341 L342 L346 L347 S348 L357 P360 L372F204-F344 HydrophobicContact CE1-CB 4.4Å; F204-F344 HydrophobicContact CZ-CD1 4.24Å; F283-F344 HydrophobicContact CD1-CE1 4.4Å; F283-F344 AromaticContact CD2-CD1 3.7Å; F283-F344 HydrophobicContact CD2-CD1 3.7Å; F283-F344 AromaticContact CD2-CE1 3.42Å; F283-F344 HydrophobicContact CD2-CE1 3.42Å; F283-F344 VanDerWaalsContact CD2-CE1 3.42Å; F283-F344 HydrophobicContact CD2-CZ 4.17Å; F283-F344 AromaticContact CE2-CD1 3.89Å; F283-F344 HydrophobicContact CE2-CD1 3.89Å; F283-F344 AromaticContact CE2-CE1 3.52Å; F283-F344 HydrophobicContact CE2-CE1 3.52Å; F283-F344 HydrophobicContact CE2-CE2 4.42Å; F283-F344 HydrophobicContact CE2-CG 4.46Å; F283-F344 AromaticContact CE2-CZ 3.81Å; F283-F344 HydrophobicContact CE2-CZ 3.81Å; F283-F344 HydrophobicContact CG-CD1 4.48Å; F283-F344 AromaticContact CG-CE1 3.89Å; F283-F344 HydrophobicContact CG-CE1 3.89Å; F283-F344 HydrophobicContact CZ-CE1 4.1Å; F283-F344 HydrophobicContact CZ-CZ 4.01Å; F320-F344 HydrophobicContact CD1-CB 3.67Å; F320-F344 HydrophobicContact CE1-CB 3.34Å; F320-F344 HydrophobicContact CE1-CG 4.43Å; F320-F344 HydrophobicContact CZ-CB 4.14Å; S340-F344 WeakPolarHBondContact O-CD2 3.48Å; S340-F344 PolarHBondContact O-N 3.14Å; R341-F344 PolarHBondContact O-N 3.44Å; L342-F344 PolarHBondContact O-N 3.03Å; F344-L346 VanDerWaalsContact C-N 3.3Å; F344-L346 PolarHBondContact O-N 3.42Å; F344-L347 PolarHBondContact O-N 2.82Å; F344-S348 PolarHBondContact O-N 3.44Å; F344-L357 HydrophobicContact CE1-CD2 4.27Å; F344-P360 HydrophobicContact CE1-CB 4.29Å; F344-P360 HydrophobicContact CZ-CB 3.93Å; F344-L372 HydrophobicContact CE1-CD1 4.18Å; F344-L372 HydrophobicContact CE2-CD1 4.11Å; F344-L372 HydrophobicContact CE2-CD2 4.31Å; F344-L372 HydrophobicContact CZ-CD1 3.92Å; F344-L372 HydrophobicContact CZ-CD2 3.89Å
345S91.8Very high90.4Very high0 Ų024 Ų240%013%0.131CC..Hα-helixtrans-61.5-38.4176.681.90000112.4L317 F320 R341 L342 A343 S348 V349L317-S345 WeakPolarHBondContact CD2-OG 3.3Å; F320-S345 VanDerWaalsContact CD2-CA 3.49Å; R341-S345 WeakPolarHBondContact O-CB 3.46Å; R341-S345 PolarHBondContact O-N 3.45Å; L342-S345 WeakPolarHBondContact O-CB 3.46Å; L342-S345 PolarHBondContact O-N 3.25Å; L342-S345 VanDerWaalsContact O-N 3.11Å; L342-S345 PolarHBondContact O-OG 2.97Å; A343-S345 VanDerWaalsContact C-N 3.31Å; A343-S345 PolarHBondContact O-N 3.02Å; S345-S348 WeakPolarHBondContact O-CB 3.01Å; S345-S348 PolarHBondContact O-N 3.22Å; S345-S348 VanDerWaalsContact O-N 3.16Å; S345-S348 PolarHBondContact O-OG 3.27Å; S345-V349 PolarHBondContact O-N 3.41Å
346L91.7Very high90.9Very high1 Ų121.2 Ų21.21%0.00511%0.112CC..Hα-helixtrans-63.4-44.4176.4-67.7168.6000111.2L291 L300 V301 Y305 L342 A343 F344 S348 V349L291-L346 HydrophobicContact CD2-CD1 3.71Å; L300-L346 HydrophobicContact CD2-CD1 3.74Å; L300-L346 HydrophobicContact CD2-CD2 4.48Å; L300-L346 HydrophobicContact CG-CD1 4.19Å; L300-L346 HydrophobicContact CG-CD2 4.19Å; V301-L346 HydrophobicContact CB-CD2 4.36Å; V301-L346 HydrophobicContact CG2-CD2 3.71Å; Y305-L346 WeakPolarHBondContact CE2-O 3.25Å; Y305-L346 PolarHBondContact OH-O 3.16Å; L342-L346 WeakPolarHBondContact O-CG 3.44Å; L342-L346 PolarHBondContact O-N 3.27Å; A343-L346 PolarHBondContact O-N 2.97Å; F344-L346 VanDerWaalsContact C-N 3.3Å; F344-L346 PolarHBondContact O-N 3.42Å; L346-S348 PolarHBondContact O-N 2.95Å; L346-V349 PolarHBondContact O-N 3.46Å
347L90Very high91.5Very high14 Ų1419.5 Ų19.57%0.0739%0.094CC..Hα-helixtrans-62.4-31.7176.5-66179.9000112.1A281 F283 A343 F344 V349 P352A281-L347 HydrophobicContact CB-CB 3.98Å; A281-L347 HydrophobicContact CB-CD2 4.14Å; A281-L347 HydrophobicContact CB-CG 4.45Å; F283-L347 HydrophobicContact CB-CD1 3.66Å; F283-L347 HydrophobicContact CD2-CD1 3.8Å; F283-L347 HydrophobicContact CG-CD1 4.24Å; A343-L347 PolarHBondContact O-N 2.63Å; F344-L347 PolarHBondContact O-N 2.82Å; L347-V349 VanDerWaalsContact C-N 3.34Å; L347-V349 PolarHBondContact O-N 3.14Å; L347-P352 WeakPolarHBondContact O-CD 3.4Å
348S89.3Confident92Very high4 Ų419.5 Ų19.53%0.0289%0.092CC..Hα-helixtrans-70.1-26.3-178.986.80000113.9P205 F320 F344 S345 L346 M350 K351P205-S348 WeakPolarHBondContact CG-O 3.46Å; F320-S348 WeakPolarHBondContact CE2-OG 3.35Å; F344-S348 PolarHBondContact O-N 3.44Å; S345-S348 WeakPolarHBondContact O-CB 3.01Å; S345-S348 PolarHBondContact O-N 3.22Å; S345-S348 VanDerWaalsContact O-N 3.16Å; S345-S348 PolarHBondContact O-OG 3.27Å; L346-S348 PolarHBondContact O-N 2.95Å; S348-M350 PolarHBondContact O-N 3.38Å; S348-K351 PolarHBondContact O-N 2.86Å
349V89.6Confident92Very high37 Ų3718 Ų1822%0.2249%0.086CC..Hα-helixtrans-57.2-37.7-176.2178.10000111.7V301 Y305 T308 A316 S345 L346 L347 K351V301-V349 HydrophobicContact CG1-CG2 4.05Å; Y305-V349 HydrophobicContact CD1-CG1 4.39Å; Y305-V349 HydrophobicContact CD2-CB 3.9Å; Y305-V349 HydrophobicContact CD2-CG1 3.71Å; Y305-V349 HydrophobicContact CD2-CG2 4.1Å; Y305-V349 HydrophobicContact CE2-CB 3.81Å; Y305-V349 HydrophobicContact CE2-CG1 4.12Å; Y305-V349 HydrophobicContact CE2-CG2 4.1Å; Y305-V349 HydrophobicContact CG-CB 4.46Å; Y305-V349 HydrophobicContact CG-CG1 3.86Å; T308-V349 HydrophobicContact CG2-CG1 4.17Å; A316-V349 HydrophobicContact CB-CG2 4.14Å; S345-V349 PolarHBondContact O-N 3.41Å; L346-V349 PolarHBondContact O-N 3.46Å; L347-V349 VanDerWaalsContact C-N 3.34Å; L347-V349 PolarHBondContact O-N 3.14Å; V349-K351 PolarHBondContact O-N 3.38Å
350M88.1Confident91.9Very high94 Ų9416.2 Ų16.246%0.4638%0.078SC..THydrogen-bonded Turntrans-73.3-8.8-178.5-68.4-60.7-69.500114.2K279 Y305 S348K279-M350 WeakPolarHBondContact CD-O 3.2Å; Y305-M350 HydrophobicContact CD1-CG 4.46Å; Y305-M350 HydrophobicContact CD1-SD 3.79Å; Y305-M350 HydrophobicContact CE1-CG 3.53Å; Y305-M350 HydrophobicContact CE1-SD 3.34Å; Y305-M350 WeakPolarHBondContact CE1-SD 3.43Å; S348-M350 PolarHBondContact O-N 3.38Å
351K91.7Very high91.8Very high126 Ų12616.6 Ų16.655%0.5488%0.08SC..  trans48.964.7-169.6-59.4-178.6-179.81790111.1P205 S348 V349P205-K351 HydrophobicContact CB-CG 4.24Å; P205-K351 HydrophobicContact CG-CB 4.45Å; P205-K351 HydrophobicContact CG-CG 4.04Å; S348-K351 PolarHBondContact O-N 2.86Å; V349-K351 PolarHBondContact O-N 3.38Å
352P94.2Very high91.4Very high1 Ų115.7 Ų15.71%0.0068%0.078CC..  trans-63147.3-177.228.7-35.8000111.2C207 K279 A281 L347 L355 F379C207-P352 VanDerWaalsContact CB-O 3.27Å; C207-P352 WeakPolarHBondContact CB-O 3.17Å; K279-P352 CarbonylContact O-C 3.55Å; K279-P352 WeakPolarHBondContact O-CA 3.35Å; A281-P352 HydrophobicContact CB-CB 3.58Å; A281-P352 HydrophobicContact CB-CG 3.67Å; L347-P352 WeakPolarHBondContact O-CD 3.4Å; P352-L355 HydrophobicContact CB-CD2 4.14Å; P352-L355 HydrophobicContact CG-CD2 3.53Å; P352-F379 WeakPolarHBondContact O-CZ 3.24Å
353N95.3Very high90.5Very high7 Ų721.3 Ų21.34%0.03710%0.104CC..SBendtrans-89.8-17.5170.2-46.590.2000111.4E208 L210 M240 L278 K279 G381 G382E208-N353 PolarHBondContact O-ND2 3.21Å; L210-N353 HydrophobicContact CD1-CB 3.87Å; M240-N353 HydrophobicContact CE-CB 3.82Å; M240-N353 HydrophobicContact SD-CB 3.95Å; L278-N353 HydrophobicContact CD1-CB 4.01Å; K279-N353 WeakPolarHBondContact CB-OD1 3.37Å; K279-N353 PolarHBondContact N-OD1 2.91Å; K279-N353 PolarHBondContact O-N 3.27Å; N353-G381 CarbonylContact O-C 3.55Å; N353-G381 WeakPolarHBondContact O-CA 3.46Å; N353-G382 PolarHBondContact O-N 3.41Å
354F95.3Very high90.1Very high0 Ų021.3 Ų21.30%010%0.104CC..EExtended strand (participates in β ladder)trans-141.4129.9-177.6-153.5-78.8000110.6I214 I215 A238 L278 K279 V280 A281 I356 G382 I384I214-F354 HydrophobicContact CG2-CD2 4.42Å; I215-F354 HydrophobicContact CD1-CD1 3.82Å; I215-F354 HydrophobicContact CD1-CD2 3.85Å; I215-F354 HydrophobicContact CD1-CE1 3.72Å; I215-F354 HydrophobicContact CD1-CE2 3.74Å; I215-F354 HydrophobicContact CD1-CG 3.89Å; I215-F354 HydrophobicContact CD1-CZ 3.68Å; I215-F354 HydrophobicContact CG1-CD2 4.45Å; I215-F354 HydrophobicContact CG1-CE2 4.37Å; A238-F354 HydrophobicContact CB-CE2 3.82Å; A238-F354 HydrophobicContact CB-CZ 3.78Å; L278-F354 HydrophobicContact CD1-CB 3.9Å; K279-F354 PolarHBondContact O-N 3.26Å; V280-F354 WeakPolarHBondContact CA-O 3.36Å; V280-F354 HydrophobicContact CG2-CB 4.38Å; A281-F354 PolarHBondContact N-O 3.17Å; F354-I356 HydrophobicContact CD1-CD1 4.32Å; F354-I356 HydrophobicContact CD1-CG1 3.78Å; F354-I356 HydrophobicContact CE1-CD1 4.39Å; F354-I356 HydrophobicContact CE1-CG1 3.9Å; F354-G382 CarbonylContact C-O 3.58Å; F354-G382 VanDerWaalsContact CA-O 3.29Å; F354-G382 WeakPolarHBondContact CA-O 3.34Å; F354-I384 HydrophobicContact CE1-CB 4.25Å; F354-I384 HydrophobicContact CE1-CD1 3.58Å; F354-I384 HydrophobicContact CE1-CG1 3.62Å; F354-I384 HydrophobicContact CZ-CD1 3.8Å; F354-I384 HydrophobicContact CZ-CG1 3.78Å
355L95.8Very high89.6Confident0 Ų023.9 Ų23.90%012%0.117CC..EExtended strand (participates in β ladder)trans-105.4130.9177.5-61.3178.5000109.6F204 A281 P352 L357 L376 F379 G382 V383 I384F204-L355 HydrophobicContact CD1-CD1 4.07Å; F204-L355 HydrophobicContact CD2-CD1 3.99Å; F204-L355 HydrophobicContact CE1-CD1 4.08Å; F204-L355 HydrophobicContact CE2-CD1 4Å; F204-L355 HydrophobicContact CG-CD1 4.03Å; F204-L355 HydrophobicContact CZ-CD1 4.05Å; A281-L355 HydrophobicContact CB-CD2 3.79Å; P352-L355 HydrophobicContact CB-CD2 4.14Å; P352-L355 HydrophobicContact CG-CD2 3.53Å; L355-L357 HydrophobicContact CB-CD2 4.5Å; L355-L376 HydrophobicContact CD1-CD2 3.6Å; L355-F379 HydrophobicContact CB-CE1 4.41Å; L355-F379 HydrophobicContact CD1-CD1 3.71Å; L355-F379 HydrophobicContact CD1-CD2 4.29Å; L355-F379 HydrophobicContact CD1-CE1 3.76Å; L355-F379 HydrophobicContact CD1-CE2 4.34Å; L355-F379 HydrophobicContact CD1-CG 3.98Å; L355-F379 HydrophobicContact CD1-CZ 4.08Å; L355-F379 HydrophobicContact CD2-CZ 4.37Å; L355-F379 HydrophobicContact CG-CD1 4.05Å; L355-F379 HydrophobicContact CG-CE1 3.57Å; L355-F379 HydrophobicContact CG-CE2 4.46Å; L355-F379 HydrophobicContact CG-CZ 3.8Å; L355-G382 PolarHBondContact N-O 2.9Å; L355-V383 HydrophobicContact CB-CG1 4.39Å; L355-V383 HydrophobicContact CB-CG2 4.43Å; L355-V383 CarbonylContact O-C 3.32Å; L355-V383 WeakPolarHBondContact O-CA 3.35Å; L355-I384 PolarHBondContact O-N 3.42Å
356I96.1Very high89.2Confident0 Ų024.6 Ų24.60%012%0.121CC..EExtended strand (participates in β ladder)trans-122.3115.7171.7-59.8-176.6000107.3L258 I261 V262 V280 A281 Y282 F283 F354 I384L258-I356 HydrophobicContact CB-CG2 4.03Å; L258-I356 HydrophobicContact CD1-CG2 3.81Å; L258-I356 HydrophobicContact CD2-CG2 3.68Å; L258-I356 HydrophobicContact CG-CG2 4.02Å; I261-I356 HydrophobicContact CB-CD1 4.16Å; I261-I356 HydrophobicContact CG2-CD1 3.48Å; I261-I356 VanDerWaalsContact CG2-CD1 3.48Å; V262-I356 HydrophobicContact CG2-CD1 3.76Å; V280-I356 HydrophobicContact CG1-CD1 3.66Å; V280-I356 HydrophobicContact CG1-CG1 3.88Å; A281-I356 PolarHBondContact O-N 3.32Å; Y282-I356 CarbonylContact C-O 2.95Å; Y282-I356 WeakPolarHBondContact CA-O 3.33Å; Y282-I356 HydrophobicContact CD2-CB 3.95Å; Y282-I356 HydrophobicContact CD2-CG2 3.65Å; Y282-I356 HydrophobicContact CE2-CG2 3.94Å; F283-I356 PolarHBondContact N-O 3.24Å; F354-I356 HydrophobicContact CD1-CD1 4.32Å; F354-I356 HydrophobicContact CD1-CG1 3.78Å; F354-I356 HydrophobicContact CE1-CD1 4.39Å; F354-I356 HydrophobicContact CE1-CG1 3.9Å; I356-I384 CarbonylContact C-O 3.56Å; I356-I384 WeakPolarHBondContact CA-O 3.29Å; I356-I384 HydrophobicContact CG1-CB 4.41Å
357L95.1Very high88.9Confident1 Ų128.6 Ų28.61%0.00514%0.14CC..EExtended strand (participates in β ladder)trans-119.5113.9-173.7-50.5-178.9000110.5F283 F344 L355 P360 L376 I384 V385 V386F283-L357 HydrophobicContact CB-CB 4.45Å; F283-L357 HydrophobicContact CB-CD2 3.43Å; F283-L357 VanDerWaalsContact CB-CD2 3.43Å; F283-L357 HydrophobicContact CG-CD2 4.27Å; F344-L357 HydrophobicContact CE1-CD2 4.27Å; L355-L357 HydrophobicContact CB-CD2 4.5Å; L357-P360 HydrophobicContact CB-CB 4.05Å; L357-P360 HydrophobicContact CB-CG 3.8Å; L357-P360 HydrophobicContact CD1-CB 4.32Å; L357-P360 HydrophobicContact CD1-CG 4.18Å; L357-L376 HydrophobicContact CD1-CD1 3.68Å; L357-L376 HydrophobicContact CD1-CD2 3.8Å; L357-L376 HydrophobicContact CD1-CG 4.35Å; L357-I384 PolarHBondContact N-O 3.35Å; L357-V385 HydrophobicContact CB-CG1 4.37Å; L357-V385 HydrophobicContact CB-CG2 4.45Å; L357-V385 HydrophobicContact CD1-CG2 4.2Å; L357-V385 CarbonylContact O-C 3.59Å; L357-V385 WeakPolarHBondContact O-CA 3.38Å; L357-V386 PolarHBondContact O-N 3.49Å
358D93Very high88.7Confident4 Ų427.9 Ų27.92%0.02114%0.136CC..EExtended strand (participates in β ladder)trans-95.7104.5176.8-158.17.8000110.5T255 L258 Y282 F283 Q285T255-D358 WeakPolarHBondContact CB-OD2 3.44Å; T255-D358 WeakPolarHBondContact CG2-OD2 3.31Å; T255-D358 PolarHBondContact OG1-OD2 3.28Å; L258-D358 HydrophobicContact CD1-CB 3.64Å; Y282-D358 HydrophobicContact CE2-CB 4.3Å; F283-D358 PolarHBondContact O-N 3.15Å; Q285-D358 PolarHBondContact N-O 2.68Å
359E89.4Confident88.7Confident15 Ų1528.2 Ų28.27%0.0714%0.138CC..SBendtrans4958.6-177.8-58.1-77.3177.500113.1K254 Q285 T361 N362 V386 H388K254-E359 IonicContact NZ-OE1 3.82Å; K254-E359 PolarHBondContact NZ-OE1 3Å; Q285-E359 HydrophobicContact CG-CB 4.44Å; E359-T361 PolarHBondContact O-N 2.9Å; E359-N362 WeakPolarHBondContact CB-ND2 3.39Å; E359-N362 PolarHBondContact O-N 3.4Å; E359-N362 PolarHBondContact O-ND2 3.36Å; E359-V386 WeakPolarHBondContact CA-O 3.15Å; E359-V386 HydrophobicContact CG-CG1 4.05Å; E359-V386 PolarHBondContact N-O 3.27Å; E359-V386 WeakPolarHBondContact OE1-CG1 3.04Å; E359-H388 IonicContact OE2-CE1 3Å; E359-H388 IonicContact OE2-ND1 2.63Å; E359-H388 PolarHBondContact OE2-ND1 2.85Å
360P89.6Confident88.6Confident1 Ų128.2 Ų28.21%0.00614%0.137CC..THydrogen-bonded Turntrans-70.6-13.8-174.531.6-36.9000114.2F283 F344 L357 L364 L372 V385 V386 L392F283-P360 HydrophobicContact CD1-CB 4.2Å; F283-P360 HydrophobicContact CE1-CB 4.21Å; F344-P360 HydrophobicContact CE1-CB 4.29Å; F344-P360 HydrophobicContact CZ-CB 3.93Å; L357-P360 HydrophobicContact CB-CB 4.05Å; L357-P360 HydrophobicContact CB-CG 3.8Å; L357-P360 HydrophobicContact CD1-CB 4.32Å; L357-P360 HydrophobicContact CD1-CG 4.18Å; P360-L364 WeakPolarHBondContact O-CD1 3.45Å; P360-L372 HydrophobicContact CB-CD2 3.87Å; P360-L372 HydrophobicContact CG-CD2 4.11Å; P360-V385 HydrophobicContact CG-CG1 3.85Å; P360-V386 VanDerWaalsContact CD-O 3.23Å; P360-V386 WeakPolarHBondContact CD-O 3.37Å; P360-L392 HydrophobicContact CG-CD2 4.4Å
361T85.7Confident88.8Confident12 Ų1224.4 Ų24.47%0.07412%0.12CC..THydrogen-bonded Turntrans-84-11.9-177.250.70000113.6E359 H363 L364 V369 T387 E389 L392E359-T361 PolarHBondContact O-N 2.9Å; T361-H363 PolarHBondContact O-N 3.01Å; T361-L364 WeakPolarHBondContact O-CB 3.33Å; T361-L364 PolarHBondContact O-N 2.85Å; T361-V369 HydrophobicContact CG2-CG1 4.06Å; T361-V369 HydrophobicContact CG2-CG2 4.11Å; T361-T387 PolarHBondContact OG1-OG1 2.95Å; T361-E389 HydrophobicContact CG2-CB 4.06Å; T361-L392 HydrophobicContact CG2-CD2 3.46Å; T361-L392 VanDerWaalsContact CG2-CD2 3.46Å
362N80.8Confident88.8Confident13 Ų1318.4 Ų18.47%0.079%0.094CC..THydrogen-bonded Turntrans-58.6130.3179.8-69-30.8000111.1M81 Q285 E359 L364M81-N362 HydrophobicContact CE-CB 4.28Å; M81-N362 VanDerWaalsContact CE-CG 3.45Å; M81-N362 WeakPolarHBondContact CE-ND2 3.46Å; M81-N362 WeakPolarHBondContact CE-OD1 3.31Å; Q285-N362 PolarHBondContact NE2-ND2 3.38Å; E359-N362 WeakPolarHBondContact CB-ND2 3.39Å; E359-N362 PolarHBondContact O-N 3.4Å; E359-N362 PolarHBondContact O-ND2 3.36Å; N362-L364 PolarHBondContact O-N 2.94Å; N362-L364 VanDerWaalsContact O-N 3.15Å
363H74.9Confident88.8Confident118 Ų11818.4 Ų18.455%0.5469%0.094SC..THydrogen-bonded Turntrans59.918.2178.8-45.2-64000115T361T361-H363 PolarHBondContact O-N 3.01Å
364L82.5Confident88.7Confident0 Ų021.4 Ų21.40%011%0.108CC..  trans-90.4140.4170.3-66.4-169.2000110H106 S340 P360 T361 N362 T368 V369 L372H106-L364 WeakPolarHBondContact CB-O 3.48Å; H106-L364 PolarHBondContact CD2-O 3.04Å; H106-L364 VanDerWaalsContact CD2-O 3.3Å; S340-L364 WeakPolarHBondContact OG-CD2 3.36Å; P360-L364 WeakPolarHBondContact O-CD1 3.45Å; T361-L364 WeakPolarHBondContact O-CB 3.33Å; T361-L364 PolarHBondContact O-N 2.85Å; N362-L364 PolarHBondContact O-N 2.94Å; N362-L364 VanDerWaalsContact O-N 3.15Å; L364-T368 HydrophobicContact CD1-CG2 3.99Å; L364-T368 HydrophobicContact CD2-CG2 3.79Å; L364-T368 HydrophobicContact CG-CG2 4.35Å; L364-V369 HydrophobicContact CB-CG2 3.71Å; L364-V369 HydrophobicContact CD1-CG2 4.28Å; L364-L372 HydrophobicContact CD1-CD2 4.3Å
365D82.2Confident88.7Confident53 Ų5321.6 Ų21.628%0.28311%0.109SC..  trans-69.2164.3165.360.330.3000111.1E367 T368 V369D365-E367 PolarHBondContact O-N 3.24Å; D365-T368 PolarHBondContact O-N 2.98Å; D365-T368 VanDerWaalsContact O-N 3.16Å; D365-T368 WeakPolarHBondContact OD1-CA 3.46Å; D365-T368 WeakPolarHBondContact OD1-CB 3.41Å; D365-T368 PolarHBondContact OD1-N 3.2Å; D365-T368 PolarHBondContact OD1-OG1 2.87Å; D365-V369 WeakPolarHBondContact O-CG2 3.48Å; D365-V369 PolarHBondContact O-N 3.39Å
366I83.4Confident88.6Confident15 Ų1521.6 Ų21.68%0.07711%0.109CC..Hα-helixtrans-61.5-36.6-173.2-73.9174.9000111.4H106 R108 Y133 D370H106-I366 HydrophobicContact CB-CG1 4.35Å; H106-I366 WeakPolarHBondContact O-CG1 3.44Å; R108-I366 HydrophobicContact CG-CD1 4.18Å; R108-I366 HydrophobicContact CG-CG1 4.29Å; R108-I366 HydrophobicContact CG-CG2 4Å; Y133-I366 HydrophobicContact CE2-CD1 3.71Å; Y133-I366 WeakPolarHBondContact OH-CD1 3.27Å; Y133-I366 WeakPolarHBondContact OH-CG2 3.36Å; I366-D370 PolarHBondContact O-N 3.19Å
367E84.5Confident88.5Confident85 Ų8527 Ų2740%0.39713%0.129SC..Hα-helixtrans-70.5-37.7178.3-63.878.4-174.700111.9V200 D365 D370 A371V200-E367 HydrophobicContact CG2-CB 4.03Å; D365-E367 PolarHBondContact O-N 3.24Å; E367-D370 PolarHBondContact O-N 3.44Å; E367-A371 WeakPolarHBondContact O-CB 3.43Å; E367-A371 PolarHBondContact O-N 3.24Å
368T86.7Confident88.5Confident0 Ų032.3 Ų32.30%015%0.154CC..Hα-helixtrans-71.8-34.6178-56.70000111.5V200 I202 R341 L364 D365 A371 L372V200-T368 HydrophobicContact CG1-CG2 4.14Å; I202-T368 HydrophobicContact CD1-CG2 3.87Å; R341-T368 HydrophobicContact CG-CG2 4.17Å; L364-T368 HydrophobicContact CD1-CG2 3.99Å; L364-T368 HydrophobicContact CD2-CG2 3.79Å; L364-T368 HydrophobicContact CG-CG2 4.35Å; D365-T368 PolarHBondContact O-N 2.98Å; D365-T368 VanDerWaalsContact O-N 3.16Å; D365-T368 WeakPolarHBondContact OD1-CA 3.46Å; D365-T368 WeakPolarHBondContact OD1-CB 3.41Å; D365-T368 PolarHBondContact OD1-N 3.2Å; D365-T368 PolarHBondContact OD1-OG1 2.87Å; T368-A371 PolarHBondContact O-N 2.9Å; T368-L372 WeakPolarHBondContact O-CB 3.34Å; T368-L372 PolarHBondContact O-N 3.39Å
369V87.8Confident88.5Confident11 Ų1132.5 Ų32.57%0.06716%0.155CC..Hα-helixtrans-62.2-46.1172.5175.50000110.7T361 L364 D365 A371 L372 G373 E389T361-V369 HydrophobicContact CG2-CG1 4.06Å; T361-V369 HydrophobicContact CG2-CG2 4.11Å; L364-V369 HydrophobicContact CB-CG2 3.71Å; L364-V369 HydrophobicContact CD1-CG2 4.28Å; D365-V369 WeakPolarHBondContact O-CG2 3.48Å; D365-V369 PolarHBondContact O-N 3.39Å; V369-A371 PolarHBondContact O-N 3.4Å; V369-L372 WeakPolarHBondContact O-CB 3.42Å; V369-L372 PolarHBondContact O-N 3.15Å; V369-G373 PolarHBondContact O-N 3.34Å; V369-E389 HydrophobicContact CG1-CG 4.44Å
370D89.2Confident88.7Confident37 Ų3737.8 Ų37.820%0.19818%0.18CC..Hα-helixtrans-60.8-45.2176.6-88.95.7000111.9R108 I366 E367 L372 G373 E374 R391R108-D370 IonicContact CZ-OD1 2.71Å; R108-D370 IonicContact CZ-OD2 3.84Å; R108-D370 IonicContact NH1-OD2 3.14Å; R108-D370 IonicContact NH2-OD1 3.69Å; R108-D370 PolarHBondContact NH2-OD1 3.25Å; R108-D370 IonicContact NH2-OD2 3.37Å; R108-D370 PolarHBondContact NH2-OD2 2.87Å; I366-D370 PolarHBondContact O-N 3.19Å; E367-D370 PolarHBondContact O-N 3.44Å; D370-L372 VanDerWaalsContact C-N 3.3Å; D370-L372 PolarHBondContact O-N 3.25Å; D370-G373 PolarHBondContact O-N 2.94Å; D370-E374 PolarHBondContact O-N 3.15Å; D370-R391 IonicContact OD1-CZ 2.92Å; D370-R391 IonicContact OD1-NE 3.97Å; D370-R391 PolarHBondContact OD1-NE 2.83Å; D370-R391 IonicContact OD1-NH2 2.83Å; D370-R391 PolarHBondContact OD1-NH2 2.91Å; D370-R391 IonicContact OD2-CZ 3.64Å; D370-R391 IonicContact OD2-NE 3.79Å; D370-R391 IonicContact OD2-NH2 3.61Å; D370-R391 PolarHBondContact OD2-NH2 3.33Å
371A90.9Very high88.9Confident14 Ų1437.8 Ų37.812%0.11618%0.18CC..Hα-helixtrans-61.1-39.5176.100000112.1V200 I202 E367 T368 V369 A375V200-A371 HydrophobicContact CB-CB 3.93Å; V200-A371 HydrophobicContact CG1-CB 3.83Å; V200-A371 WeakPolarHBondContact O-CB 3.28Å; I202-A371 HydrophobicContact CB-CB 4.36Å; I202-A371 HydrophobicContact CD1-CB 4.05Å; I202-A371 HydrophobicContact CG1-CB 4.02Å; E367-A371 WeakPolarHBondContact O-CB 3.43Å; E367-A371 PolarHBondContact O-N 3.24Å; T368-A371 PolarHBondContact O-N 2.9Å; V369-A371 PolarHBondContact O-N 3.4Å; A371-A375 VanDerWaalsContact O-CB 3.31Å; A371-A375 WeakPolarHBondContact O-CB 3.43Å; A371-A375 PolarHBondContact O-N 2.86Å
372L92.8Very high89.3Confident0 Ų037.2 Ų37.20%018%0.176CC..Hα-helixtrans-65.8-44.6175.8178.364.7000110.9I202 F204 F344 P360 L364 T368 V369 D370 E374 A375 L376 L392I202-L372 HydrophobicContact CD1-CB 4.01Å; I202-L372 HydrophobicContact CG2-CD1 4.46Å; F204-L372 HydrophobicContact CE2-CD1 4.19Å; F204-L372 HydrophobicContact CZ-CD1 4.24Å; F344-L372 HydrophobicContact CE1-CD1 4.18Å; F344-L372 HydrophobicContact CE2-CD1 4.11Å; F344-L372 HydrophobicContact CE2-CD2 4.31Å; F344-L372 HydrophobicContact CZ-CD1 3.92Å; F344-L372 HydrophobicContact CZ-CD2 3.89Å; P360-L372 HydrophobicContact CB-CD2 3.87Å; P360-L372 HydrophobicContact CG-CD2 4.11Å; L364-L372 HydrophobicContact CD1-CD2 4.3Å; T368-L372 WeakPolarHBondContact O-CB 3.34Å; T368-L372 PolarHBondContact O-N 3.39Å; V369-L372 WeakPolarHBondContact O-CB 3.42Å; V369-L372 PolarHBondContact O-N 3.15Å; D370-L372 VanDerWaalsContact C-N 3.3Å; D370-L372 PolarHBondContact O-N 3.25Å; L372-E374 PolarHBondContact O-N 3.45Å; L372-A375 WeakPolarHBondContact O-CB 3.36Å; L372-A375 PolarHBondContact O-N 3.03Å; L372-L376 HydrophobicContact CD1-CD1 4.04Å; L372-L376 HydrophobicContact CD1-CG 4.07Å; L372-L376 HydrophobicContact CG-CD1 3.93Å; L372-L376 HydrophobicContact CG-CG 4.36Å; L372-L376 WeakPolarHBondContact O-CB 3.32Å; L372-L376 VanDerWaalsContact O-CG 3.27Å; L372-L376 WeakPolarHBondContact O-CG 3.46Å; L372-L376 PolarHBondContact O-N 3.39Å; L372-L392 HydrophobicContact CD2-CD2 4.5Å
373G93.8Very high90.1Very high0 Ų036.6 Ų36.60%017%0.173CC..Hα-helixtrans-59.1-44.6176.800000112.5V369 D370 L376 R377 V396V369-G373 PolarHBondContact O-N 3.34Å; D370-G373 PolarHBondContact O-N 2.94Å; G373-L376 PolarHBondContact O-N 2.92Å; G373-R377 WeakPolarHBondContact O-CB 3.3Å; G373-R377 PolarHBondContact O-N 3.11Å; G373-V396 WeakPolarHBondContact O-CG2 3.5Å
374E94Very high91.1Very high70 Ų7031 Ų3133%0.32715%0.147SC..Hα-helixtrans-63.7-44.1174.8-171.858.9-14400111.8D370 L372 L376 R377 Q378D370-E374 PolarHBondContact O-N 3.15Å; L372-E374 PolarHBondContact O-N 3.45Å; E374-L376 VanDerWaalsContact C-N 3.33Å; E374-L376 PolarHBondContact O-N 3.07Å; E374-R377 PolarHBondContact O-N 2.7Å; E374-R377 IonicContact OE1-NH1 3.84Å; E374-R377 IonicContact OE2-CZ 2.56Å; E374-R377 VanDerWaalsContact OE2-CZ 3.28Å; E374-R377 IonicContact OE2-NH1 3.49Å; E374-R377 PolarHBondContact OE2-NH1 3.07Å; E374-R377 IonicContact OE2-NH2 3.8Å; E374-Q378 WeakPolarHBondContact O-CG 3.48Å; E374-Q378 PolarHBondContact O-N 3.17Å; E374-Q378 PolarHBondContact OE1-NE2 2.88Å
375A93.9Very high91.7Very high4 Ų431 Ų313%0.03315%0.147CC..Hα-helixtrans-61.2-40.8178.900000112.7I202 F204 A371 L372 Q378 F379I202-A375 HydrophobicContact CB-CB 3.9Å; I202-A375 HydrophobicContact CG2-CB 3.45Å; I202-A375 VanDerWaalsContact CG2-CB 3.45Å; I202-A375 WeakPolarHBondContact O-CB 3.39Å; F204-A375 HydrophobicContact CD2-CB 3.89Å; F204-A375 HydrophobicContact CE2-CB 3.92Å; A371-A375 VanDerWaalsContact O-CB 3.31Å; A371-A375 WeakPolarHBondContact O-CB 3.43Å; A371-A375 PolarHBondContact O-N 2.86Å; L372-A375 WeakPolarHBondContact O-CB 3.36Å; L372-A375 PolarHBondContact O-N 3.03Å; A375-Q378 PolarHBondContact O-N 3.04Å; A375-F379 WeakPolarHBondContact O-CB 3.29Å; A375-F379 PolarHBondContact O-N 3.19Å
376L95.3Very high92.2Very high0 Ų028.5 Ų28.50%013%0.134CC..Hα-helixtrans-73.4-32.4178.2-67.7174.2000112.3F204 L355 L357 L372 G373 E374 Q378 F379 V383 V385 L392 V396F204-L376 HydrophobicContact CD2-CD2 4.24Å; F204-L376 HydrophobicContact CE2-CD2 3.62Å; F204-L376 HydrophobicContact CE2-CG 4.2Å; F204-L376 HydrophobicContact CZ-CD2 4.27Å; L355-L376 HydrophobicContact CD1-CD2 3.6Å; L357-L376 HydrophobicContact CD1-CD1 3.68Å; L357-L376 HydrophobicContact CD1-CD2 3.8Å; L357-L376 HydrophobicContact CD1-CG 4.35Å; L372-L376 HydrophobicContact CD1-CD1 4.04Å; L372-L376 HydrophobicContact CD1-CG 4.07Å; L372-L376 HydrophobicContact CG-CD1 3.93Å; L372-L376 HydrophobicContact CG-CG 4.36Å; L372-L376 WeakPolarHBondContact O-CB 3.32Å; L372-L376 VanDerWaalsContact O-CG 3.27Å; L372-L376 WeakPolarHBondContact O-CG 3.46Å; L372-L376 PolarHBondContact O-N 3.39Å; G373-L376 PolarHBondContact O-N 2.92Å; E374-L376 VanDerWaalsContact C-N 3.33Å; E374-L376 PolarHBondContact O-N 3.07Å; L376-Q378 VanDerWaalsContact C-N 3.35Å; L376-F379 PolarHBondContact O-N 3.07Å; L376-V383 HydrophobicContact CD2-CG1 4.14Å; L376-V383 HydrophobicContact CD2-CG2 4.45Å; L376-V385 HydrophobicContact CD1-CG2 4.22Å; L376-L392 HydrophobicContact CD1-CD1 4.32Å; L376-V396 HydrophobicContact CB-CG1 3.77Å; L376-V396 HydrophobicContact CB-CG2 3.83Å; L376-V396 HydrophobicContact CD1-CG2 4.48Å
377R94Very high92.5Very high113 Ų11327.9 Ų27.943%0.42613%0.131SC..Hα-helixtrans-65.1-41.1172.9-163.2-169-5613810.4111.4G373 E374 M395G373-R377 WeakPolarHBondContact O-CB 3.3Å; G373-R377 PolarHBondContact O-N 3.11Å; E374-R377 PolarHBondContact O-N 2.7Å; E374-R377 IonicContact OE1-NH1 3.84Å; E374-R377 IonicContact OE2-CZ 2.56Å; E374-R377 VanDerWaalsContact OE2-CZ 3.28Å; E374-R377 IonicContact OE2-NH1 3.49Å; E374-R377 PolarHBondContact OE2-NH1 3.07Å; E374-R377 IonicContact OE2-NH2 3.8Å; R377-M395 PolarHBondContact NE-O 2.84Å
378Q93.5Very high92.4Very high114 Ų11424.8 Ų24.853%0.53312%0.116SC..Hα-helixtrans-79.7-16.5179.2-67.4-178.89.600114.2E374 A375 L376 E380E374-Q378 WeakPolarHBondContact O-CG 3.48Å; E374-Q378 PolarHBondContact O-N 3.17Å; E374-Q378 PolarHBondContact OE1-NE2 2.88Å; A375-Q378 PolarHBondContact O-N 3.04Å; L376-Q378 VanDerWaalsContact C-N 3.35Å; Q378-E380 PolarHBondContact O-N 3.19Å
379F94.6Very high92.3Very high7 Ų725.3 Ų25.33%0.03112%0.119CC..  trans-63133.4179.4179.8-117.3000110.8F204 R243 P352 L355 A375 L376 G381 V383F204-F379 HydrophobicContact CB-CD2 3.61Å; F204-F379 HydrophobicContact CB-CE2 4.2Å; F204-F379 HydrophobicContact CB-CG 4.39Å; F204-F379 HydrophobicContact CG-CD2 4.34Å; R243-F379 PolarHBondContact NH2-O 3.41Å; P352-F379 WeakPolarHBondContact O-CZ 3.24Å; L355-F379 HydrophobicContact CB-CE1 4.41Å; L355-F379 HydrophobicContact CD1-CD1 3.71Å; L355-F379 HydrophobicContact CD1-CD2 4.29Å; L355-F379 HydrophobicContact CD1-CE1 3.76Å; L355-F379 HydrophobicContact CD1-CE2 4.34Å; L355-F379 HydrophobicContact CD1-CG 3.98Å; L355-F379 HydrophobicContact CD1-CZ 4.08Å; L355-F379 HydrophobicContact CD2-CZ 4.37Å; L355-F379 HydrophobicContact CG-CD1 4.05Å; L355-F379 HydrophobicContact CG-CE1 3.57Å; L355-F379 HydrophobicContact CG-CE2 4.46Å; L355-F379 HydrophobicContact CG-CZ 3.8Å; A375-F379 WeakPolarHBondContact O-CB 3.29Å; A375-F379 PolarHBondContact O-N 3.19Å; L376-F379 PolarHBondContact O-N 3.07Å; F379-G381 VanDerWaalsContact C-N 3.35Å; F379-G381 WeakPolarHBondContact CD1-O 2.98Å; F379-V383 HydrophobicContact CD1-CG2 3.67Å; F379-V383 HydrophobicContact CE1-CG2 4.25Å
380E92.6Very high92.3Very high127 Ų12725.6 Ų25.659%0.59312%0.119SC*.SBendtrans-87.4-3.2-175-65.7174.8164.900113.7Q378Q378-E380 PolarHBondContact O-N 3.19Å
381G93.6Very high92.1Very high0 Ų027.8 Ų27.80%013%0.125CC..SBendtrans-100.7-179.2177.700000113.8M240 R243 N353 F379M240-G381 CarbonylContact O-C 3.56Å; M240-G381 VanDerWaalsContact O-O 3.09Å; R243-G381 VanDerWaalsContact CZ-O 3.26Å; R243-G381 PolarHBondContact NH1-O 2.89Å; R243-G381 PolarHBondContact NH2-O 3.34Å; R243-G381 VanDerWaalsContact NH2-O 3.13Å; N353-G381 CarbonylContact O-C 3.55Å; N353-G381 WeakPolarHBondContact O-CA 3.46Å; F379-G381 VanDerWaalsContact C-N 3.35Å; F379-G381 WeakPolarHBondContact CD1-O 2.98Å
382G95.1Very high92.1Very high0 Ų027.2 Ų27.20%012%0.12CC..EExtended strand (participates in β ladder)trans-77.4148.2178.700000112M240 N353 F354 L355M240-G382 WeakPolarHBondContact O-CA 3.32Å; M240-G382 PolarHBondContact O-N 3.44Å; N353-G382 PolarHBondContact O-N 3.41Å; F354-G382 CarbonylContact C-O 3.58Å; F354-G382 VanDerWaalsContact CA-O 3.29Å; F354-G382 WeakPolarHBondContact CA-O 3.34Å; L355-G382 PolarHBondContact N-O 2.9Å
383V96.6Very high92Very high1 Ų127.5 Ų27.51%0.00612%0.121CC..EExtended strand (participates in β ladder)trans-134.5130.9-177.7-172.30000110.7S242 I244 L355 L376 F379 V385S242-V383 PolarHBondContact O-N 2.9Å; I244-V383 PolarHBondContact N-O 3.07Å; L355-V383 HydrophobicContact CB-CG1 4.39Å; L355-V383 HydrophobicContact CB-CG2 4.43Å; L355-V383 CarbonylContact O-C 3.32Å; L355-V383 WeakPolarHBondContact O-CA 3.35Å; L376-V383 HydrophobicContact CD2-CG1 4.14Å; L376-V383 HydrophobicContact CD2-CG2 4.45Å; F379-V383 HydrophobicContact CD1-CG2 3.67Å; F379-V383 HydrophobicContact CE1-CG2 4.25Å; V383-V385 HydrophobicContact CG1-CG2 3.52Å
384I96.6Very high91.9Very high0 Ų032.9 Ų32.90%015%0.145CC..EExtended strand (participates in β ladder)trans-116.4124.7162.7-65.3167000107.9F236 I244 L258 I261 F354 L355 I356 L357F236-I384 HydrophobicContact CE1-CD1 3.98Å; F236-I384 HydrophobicContact CZ-CD1 3.77Å; I244-I384 HydrophobicContact CB-CG1 4.07Å; I244-I384 HydrophobicContact CD1-CG1 4.17Å; I244-I384 HydrophobicContact CG2-CG1 4.46Å; I244-I384 CarbonylContact O-C 3.58Å; I244-I384 VanDerWaalsContact O-CA 3.31Å; I244-I384 WeakPolarHBondContact O-CA 3.32Å; L258-I384 HydrophobicContact CD2-CG2 3.74Å; I261-I384 HydrophobicContact CD1-CD1 3.76Å; F354-I384 HydrophobicContact CE1-CB 4.25Å; F354-I384 HydrophobicContact CE1-CD1 3.58Å; F354-I384 HydrophobicContact CE1-CG1 3.62Å; F354-I384 HydrophobicContact CZ-CD1 3.8Å; F354-I384 HydrophobicContact CZ-CG1 3.78Å; L355-I384 PolarHBondContact O-N 3.42Å; I356-I384 CarbonylContact C-O 3.56Å; I356-I384 WeakPolarHBondContact CA-O 3.29Å; I356-I384 HydrophobicContact CG1-CB 4.41Å; L357-I384 PolarHBondContact N-O 3.35Å
385V95.4Very high91.8Very high0 Ų031.5 Ų31.50%014%0.138CC..EExtended strand (participates in β ladder)trans-121.5128.2175.5-172.20000109.7I244 C245 L246 L357 P360 L376 V383 T387 L392I244-V385 PolarHBondContact O-N 3.42Å; C245-V385 CarbonylContact C-O 3.57Å; C245-V385 WeakPolarHBondContact CA-O 3.28Å; L246-V385 PolarHBondContact N-O 3Å; L357-V385 HydrophobicContact CB-CG1 4.37Å; L357-V385 HydrophobicContact CB-CG2 4.45Å; L357-V385 HydrophobicContact CD1-CG2 4.2Å; L357-V385 CarbonylContact O-C 3.59Å; L357-V385 WeakPolarHBondContact O-CA 3.38Å; P360-V385 HydrophobicContact CG-CG1 3.85Å; L376-V385 HydrophobicContact CD1-CG2 4.22Å; V383-V385 HydrophobicContact CG1-CG2 3.52Å; V385-T387 HydrophobicContact CG1-CG2 3.74Å; V385-L392 HydrophobicContact CG1-CD2 4.3Å
386V93Very high91.8Very high0 Ų031.7 Ų31.70%014%0.139CC..EExtended strand (participates in β ladder)trans-93.3117.8159.2-179.40000106.6L246 K254 L258 L357 E359 P360L246-V386 HydrophobicContact CB-CG2 3.9Å; L246-V386 HydrophobicContact CD2-CG2 3.79Å; L246-V386 HydrophobicContact CG-CG2 4.27Å; K254-V386 HydrophobicContact CB-CG1 4.37Å; K254-V386 HydrophobicContact CB-CG2 4.26Å; K254-V386 HydrophobicContact CD-CG1 3.81Å; L258-V386 HydrophobicContact CD1-CG2 3.72Å; L258-V386 HydrophobicContact CD2-CG2 4.31Å; L258-V386 HydrophobicContact CG-CG2 4.23Å; L357-V386 PolarHBondContact O-N 3.49Å; E359-V386 WeakPolarHBondContact CA-O 3.15Å; E359-V386 HydrophobicContact CG-CG1 4.05Å; E359-V386 PolarHBondContact N-O 3.27Å; E359-V386 WeakPolarHBondContact OE1-CG1 3.04Å; P360-V386 VanDerWaalsContact CD-O 3.23Å; P360-V386 WeakPolarHBondContact CD-O 3.37Å
387T88.9Confident91.7Very high3 Ų332.8 Ų32.82%0.01815%0.147CC..  trans-156.4154.3174.1-1760000108.8T361 V385 E389 L392 I393T361-T387 PolarHBondContact OG1-OG1 2.95Å; V385-T387 HydrophobicContact CG1-CG2 3.74Å; T387-E389 WeakPolarHBondContact OG1-CB 3.37Å; T387-E389 PolarHBondContact OG1-N 3.36Å; T387-E389 VanDerWaalsContact OG1-N 3.08Å; T387-L392 HydrophobicContact CG2-CD2 4.12Å; T387-I393 HydrophobicContact CG2-CD1 3.91Å; T387-I393 HydrophobicContact CG2-CG1 3.51Å
388H82.5Confident91.6Very high19 Ų1935.8 Ų35.89%0.08816%0.163CC..  trans-98.9-5.2169.257.4-78.6000112.1M84 E359 E390M84-H388 HydrophobicContact CG-CB 3.8Å; E359-H388 IonicContact OE2-CE1 3Å; E359-H388 IonicContact OE2-ND1 2.63Å; E359-H388 PolarHBondContact OE2-ND1 2.85Å; H388-E390 PolarHBondContact O-N 2.95Å
389E85.2Confident91.6Very high12 Ų1232.9 Ų32.96%0.05615%0.149CC..  trans-82.4110.6-175.1-157.8-69.4118.300110.1T361 V369 T387 R391 L392 I393T361-E389 HydrophobicContact CG2-CB 4.06Å; V369-E389 HydrophobicContact CG1-CG 4.44Å; T387-E389 WeakPolarHBondContact OG1-CB 3.37Å; T387-E389 PolarHBondContact OG1-N 3.36Å; T387-E389 VanDerWaalsContact OG1-N 3.08Å; E389-R391 PolarHBondContact O-N 2.87Å; E389-R391 WeakPolarHBondContact OE1-CB 3.46Å; E389-R391 PolarHBondContact OE1-N 3.38Å; E389-R391 WeakPolarHBondContact OE2-CB 3.46Å; E389-R391 PolarHBondContact OE2-N 3.36Å; E389-L392 PolarHBondContact O-N 3.08Å; E389-L392 WeakPolarHBondContact OE2-CA 3.45Å; E389-L392 WeakPolarHBondContact OE2-CB 3.34Å; E389-L392 PolarHBondContact OE2-N 2.68Å; E389-I393 VanDerWaalsContact O-CG1 3.26Å; E389-I393 WeakPolarHBondContact O-CG1 3.49Å; E389-I393 PolarHBondContact O-N 3.09Å
390E86.1Confident91.6Very high17 Ų1732.9 Ų32.98%0.07915%0.149CC..Hα-helixtrans-65.2-36.1-170.5173.6168.8-170.500113.3H388 I393 K394 I415 K419H388-E390 PolarHBondContact O-N 2.95Å; E390-I393 WeakPolarHBondContact O-CB 3.36Å; E390-I393 PolarHBondContact O-N 2.74Å; E390-K394 HydrophobicContact CG-CD 3.97Å; E390-K394 HydrophobicContact CG-CG 4.3Å; E390-K394 WeakPolarHBondContact O-CG 3.44Å; E390-K394 PolarHBondContact O-N 3.49Å; E390-K394 WeakPolarHBondContact OE1-CE 3.24Å; E390-K394 IonicContact OE1-NZ 3.15Å; E390-K394 PolarHBondContact OE1-NZ 2.91Å; E390-I415 HydrophobicContact CB-CD1 3.94Å; E390-I415 HydrophobicContact CG-CD1 3.78Å; E390-I415 HydrophobicContact CG-CG1 4.4Å; E390-K419 WeakPolarHBondContact OE2-CE 3.34Å; E390-K419 IonicContact OE2-NZ 2.74Å; E390-K419 PolarHBondContact OE2-NZ 3.4Å
391R85.5Confident91.6Very high83 Ų8327.2 Ų27.231%0.31312%0.123SC..Hα-helixtrans-64.9-44.7-177.6-172.7-179.5168.1108-8.9110.9R108 D370 E389 I393 K394 M395R108-R391 VanDerWaalsContact NH1-NH2 3.14Å; D370-R391 IonicContact OD1-CZ 2.92Å; D370-R391 IonicContact OD1-NE 3.97Å; D370-R391 PolarHBondContact OD1-NE 2.83Å; D370-R391 IonicContact OD1-NH2 2.83Å; D370-R391 PolarHBondContact OD1-NH2 2.91Å; D370-R391 IonicContact OD2-CZ 3.64Å; D370-R391 IonicContact OD2-NE 3.79Å; D370-R391 IonicContact OD2-NH2 3.61Å; D370-R391 PolarHBondContact OD2-NH2 3.33Å; E389-R391 PolarHBondContact O-N 2.87Å; E389-R391 WeakPolarHBondContact OE1-CB 3.46Å; E389-R391 PolarHBondContact OE1-N 3.38Å; E389-R391 WeakPolarHBondContact OE2-CB 3.46Å; E389-R391 PolarHBondContact OE2-N 3.36Å; R391-I393 VanDerWaalsContact C-N 3.31Å; R391-I393 PolarHBondContact O-N 2.92Å; R391-K394 PolarHBondContact O-N 3.37Å; R391-M395 HydrophobicContact CG-CG 4.39Å; R391-M395 HydrophobicContact CG-SD 3.8Å; R391-M395 VanDerWaalsContact O-CB 3.26Å; R391-M395 WeakPolarHBondContact O-CB 3.17Å; R391-M395 WeakPolarHBondContact O-CG 3.19Å; R391-M395 PolarHBondContact O-N 2.88Å
392L90.7Very high91.6Very high1 Ų128.2 Ų28.21%0.00513%0.128CC..Hα-helixtrans-62.2-41.1176.5-178.463.3000110.5P360 T361 L372 L376 V385 T387 E389 M395 V396P360-L392 HydrophobicContact CG-CD2 4.4Å; T361-L392 HydrophobicContact CG2-CD2 3.46Å; T361-L392 VanDerWaalsContact CG2-CD2 3.46Å; L372-L392 HydrophobicContact CD2-CD2 4.5Å; L376-L392 HydrophobicContact CD1-CD1 4.32Å; V385-L392 HydrophobicContact CG1-CD2 4.3Å; T387-L392 HydrophobicContact CG2-CD2 4.12Å; E389-L392 PolarHBondContact O-N 3.08Å; E389-L392 WeakPolarHBondContact OE2-CA 3.45Å; E389-L392 WeakPolarHBondContact OE2-CB 3.34Å; E389-L392 PolarHBondContact OE2-N 2.68Å; L392-M395 PolarHBondContact O-N 3.23Å; L392-V396 HydrophobicContact CD1-CG2 3.88Å; L392-V396 WeakPolarHBondContact O-CB 3.31Å; L392-V396 WeakPolarHBondContact O-CG2 3.42Å; L392-V396 PolarHBondContact O-N 3.39Å; L392-V396 VanDerWaalsContact O-N 3.08Å
393I92Very high91.4Very high7 Ų728.3 Ų28.34%0.03613%0.129CC..Hα-helixtrans-60.5-52174.9-63.1169.8000109.7C245 T387 E389 E390 R391 M395 V396 C397 I415C245-I393 HydrophobicContact CB-CG1 4.41Å; C245-I393 HydrophobicContact CB-CG2 4.07Å; C245-I393 VanDerWaalsContact SG-CD1 3.56Å; C245-I393 VanDerWaalsContact SG-CG1 3.55Å; T387-I393 HydrophobicContact CG2-CD1 3.91Å; T387-I393 HydrophobicContact CG2-CG1 3.51Å; E389-I393 VanDerWaalsContact O-CG1 3.26Å; E389-I393 WeakPolarHBondContact O-CG1 3.49Å; E389-I393 PolarHBondContact O-N 3.09Å; E390-I393 WeakPolarHBondContact O-CB 3.36Å; E390-I393 PolarHBondContact O-N 2.74Å; R391-I393 VanDerWaalsContact C-N 3.31Å; R391-I393 PolarHBondContact O-N 2.92Å; I393-M395 VanDerWaalsContact C-N 3.31Å; I393-M395 PolarHBondContact O-N 3.49Å; I393-V396 PolarHBondContact O-N 2.97Å; I393-C397 HydrophobicContact CG2-CB 4.17Å; I393-C397 WeakPolarHBondContact O-CA 3.48Å; I393-C397 VanDerWaalsContact O-CB 3.32Å; I393-C397 WeakPolarHBondContact O-CB 3.41Å; I393-C397 PolarHBondContact O-N 2.89Å; I393-I415 HydrophobicContact CB-CD1 3.94Å; I393-I415 HydrophobicContact CD1-CD1 3.5Å; I393-I415 HydrophobicContact CG1-CD1 4.3Å; I393-I415 HydrophobicContact CG2-CB 4.29Å; I393-I415 HydrophobicContact CG2-CD1 3.83Å
394K91.4Very high91Very high113 Ų11333.8 Ų33.849%0.49115%0.15SC..Hα-helixtrans-63-34.8178.3-72.7179.6178.3174.80113.3E390 R391 I415 E416E390-K394 HydrophobicContact CG-CD 3.97Å; E390-K394 HydrophobicContact CG-CG 4.3Å; E390-K394 WeakPolarHBondContact O-CG 3.44Å; E390-K394 PolarHBondContact O-N 3.49Å; E390-K394 WeakPolarHBondContact OE1-CE 3.24Å; E390-K394 IonicContact OE1-NZ 3.15Å; E390-K394 PolarHBondContact OE1-NZ 2.91Å; R391-K394 PolarHBondContact O-N 3.37Å; K394-I415 HydrophobicContact CG-CG2 4.11Å; K394-E416 WeakPolarHBondContact CE-OE1 3.32Å; K394-E416 IonicContact NZ-OE1 3.82Å
395M91.2Very high90.5Very high40 Ų4040 Ų4020%0.19718%0.182CC..Hα-helixtrans-74.2-30-177.9-79.4173.471.100113.6R377 R391 L392 I393R377-M395 PolarHBondContact NE-O 2.84Å; R391-M395 HydrophobicContact CG-CG 4.39Å; R391-M395 HydrophobicContact CG-SD 3.8Å; R391-M395 VanDerWaalsContact O-CB 3.26Å; R391-M395 WeakPolarHBondContact O-CB 3.17Å; R391-M395 WeakPolarHBondContact O-CG 3.19Å; R391-M395 PolarHBondContact O-N 2.88Å; L392-M395 PolarHBondContact O-N 3.23Å; I393-M395 VanDerWaalsContact C-N 3.31Å; I393-M395 PolarHBondContact O-N 3.49Å
396V93.3Very high90.1Very high9 Ų940.2 Ų40.26%0.05519%0.185CC..Hα-helixtrans-121.1-45.3-167.3-179.50000112.3R243 G373 L376 L392 I393R243-V396 VanDerWaalsContact CB-O 3.24Å; R243-V396 WeakPolarHBondContact CB-O 3.49Å; R243-V396 WeakPolarHBondContact CG-O 3.39Å; G373-V396 WeakPolarHBondContact O-CG2 3.5Å; L376-V396 HydrophobicContact CB-CG1 3.77Å; L376-V396 HydrophobicContact CB-CG2 3.83Å; L376-V396 HydrophobicContact CD1-CG2 4.48Å; L392-V396 HydrophobicContact CD1-CG2 3.88Å; L392-V396 WeakPolarHBondContact O-CB 3.31Å; L392-V396 WeakPolarHBondContact O-CG2 3.42Å; L392-V396 PolarHBondContact O-N 3.39Å; L392-V396 VanDerWaalsContact O-N 3.08Å; I393-V396 PolarHBondContact O-N 2.97Å
397C93.4Very high90Very high22 Ų2244.7 Ų44.715%0.14921%0.208CC..  trans-89.5135-164.2-57.20000111.7R243 C245 I393R243-C397 CarbonylContact O-C 3.56Å; R243-C397 WeakPolarHBondContact O-CA 3.46Å; C245-C397 HydrophobicContact CB-CB 3.67Å; I393-C397 HydrophobicContact CG2-CB 4.17Å; I393-C397 WeakPolarHBondContact O-CA 3.48Å; I393-C397 VanDerWaalsContact O-CB 3.32Å; I393-C397 WeakPolarHBondContact O-CB 3.41Å; I393-C397 PolarHBondContact O-N 2.89Å
398K92.2Very high90.2Very high176 Ų17645.7 Ų45.777%0.76521%0.214SC*.SBendtrans-109-22.3176.3-62.5178.2-179.2175.30112R243R243-K398 HydrophobicContact CB-CB 4.28Å; R243-K398 HydrophobicContact CB-CD 4.5Å; R243-K398 HydrophobicContact CB-CG 4.15Å; R243-K398 PolarHBondContact O-N 3.45Å
399E93.4Very high90.7Very high54 Ų5448.1 Ų48.125%0.25223%0.23SC..EExtended strand (participates in β ladder)trans-121.6133-177.4-62.6167.8-115.400108.2R243 I244 C245R243-E399 PolarHBondContact O-N 3.08Å; I244-E399 CarbonylContact C-O 3.42Å; I244-E399 WeakPolarHBondContact CA-O 3.46Å; I244-E399 HydrophobicContact CG1-CB 4.02Å; C245-E399 PolarHBondContact N-O 3.23Å
400L94.1Very high91Very high6 Ų653.3 Ų53.33%0.03126%0.255CS..EExtended strand (participates in β ladder)trans-113123175.6-170.571.2000109.3C245 V247 Q410 L411 G414 Y418C245-L400 HydrophobicContact CB-CD1 3.61Å; V247-L400 HydrophobicContact CB-CD1 4.32Å; V247-L400 HydrophobicContact CG1-CD1 3.54Å; V247-L400 HydrophobicContact CG2-CD1 3.79Å; V247-L400 HydrophobicContact CG2-CD2 4.16Å; V247-L400 HydrophobicContact CG2-CG 3.95Å; L400-Q410 WeakPolarHBondContact O-CA 3.43Å; L400-L411 HydrophobicContact CB-CB 4.45Å; L400-L411 HydrophobicContact CD2-CB 4.31Å; L400-L411 HydrophobicContact CD2-CD2 4.02Å; L400-L411 PolarHBondContact O-N 2.86Å; L400-G414 VanDerWaalsContact CD2-O 3.31Å; L400-G414 WeakPolarHBondContact CD2-O 3.41Å; L400-Y418 HydrophobicContact CD2-CG 4.2Å
401L94.3Very high91.2Very high9 Ų954.2 Ų54.25%0.04726%0.26CS..EExtended strand (participates in β ladder)trans-108.1131.7173-65.3-175.1000110F236 I244 C245 L246 V247 V408 T409 Q410F236-L401 HydrophobicContact CD2-CD1 3.75Å; F236-L401 HydrophobicContact CE2-CD1 3.5Å; F236-L401 HydrophobicContact CZ-CD1 4.44Å; I244-L401 HydrophobicContact CG2-CB 4.36Å; I244-L401 HydrophobicContact CG2-CD1 3.58Å; I244-L401 HydrophobicContact CG2-CG 3.68Å; C245-L401 PolarHBondContact O-N 3.33Å; L246-L401 WeakPolarHBondContact CA-O 3.36Å; L246-L401 HydrophobicContact CD1-CB 3.63Å; L246-L401 HydrophobicContact CD1-CD1 4.4Å; V247-L401 WeakPolarHBondContact CG2-O 3.32Å; V247-L401 PolarHBondContact N-O 3.36Å; L401-V408 HydrophobicContact CB-CG1 4.34Å; L401-V408 HydrophobicContact CD1-CG1 4.19Å; L401-T409 CarbonylContact C-O 3.54Å; L401-T409 WeakPolarHBondContact CA-O 3.3Å; L401-Q410 HydrophobicContact CD2-CB 3.75Å; L401-Q410 HydrophobicContact CD2-CG 4.12Å
402I92.6Very high91.2Very high21 Ų2159.4 Ų59.411%0.10829%0.288CS..EExtended strand (participates in β ladder)trans-108.3127.7176.2-54.7169.9000108.5V247 R404 V408 T409 L411 Y418V247-I402 HydrophobicContact CG2-CB 4.44Å; V247-I402 HydrophobicContact CG2-CG1 3.76Å; V247-I402 WeakPolarHBondContact O-CA 3.46Å; I402-R404 HydrophobicContact CG2-CB 4.38Å; I402-V408 WeakPolarHBondContact O-CA 3.27Å; I402-T409 PolarHBondContact N-O 3.48Å; I402-T409 PolarHBondContact O-N 2.9Å; I402-T409 PolarHBondContact O-OG1 3.25Å; I402-L411 HydrophobicContact CD1-CB 3.83Å; I402-L411 HydrophobicContact CD1-CD1 4.01Å; I402-L411 HydrophobicContact CD1-CD2 3.95Å; I402-L411 HydrophobicContact CD1-CG 4.14Å; I402-L411 HydrophobicContact CG1-CB 4.34Å; I402-Y418 HydrophobicContact CD1-CD2 3.53Å; I402-Y418 HydrophobicContact CD1-CE2 3.87Å; I402-Y418 HydrophobicContact CG1-CD2 3.95Å; I402-Y418 HydrophobicContact CG1-CE2 4Å; I402-Y418 HydrophobicContact CG2-CE2 4.11Å
403I91.8Very high90.9Very high2 Ų261.1 Ų61.11%0.0131%0.305CS..EExtended strand (participates in β ladder)trans-99.7115.6165.4-49.4-162.5000109.1L231 L246 V247 S252 F257 I407 V408L231-I403 HydrophobicContact CD2-CD1 4.31Å; L231-I403 HydrophobicContact CD2-CG2 3.93Å; L246-I403 HydrophobicContact CD1-CD1 3.83Å; L246-I403 HydrophobicContact CD1-CG1 3.6Å; L246-I403 HydrophobicContact CD2-CD1 3.95Å; L246-I403 HydrophobicContact CD2-CG1 4.5Å; L246-I403 HydrophobicContact CG-CD1 4.22Å; L246-I403 HydrophobicContact CG-CG1 4.22Å; V247-I403 PolarHBondContact O-N 3.35Å; S252-I403 WeakPolarHBondContact CB-O 3.36Å; S252-I403 WeakPolarHBondContact O-CG2 3.29Å; F257-I403 HydrophobicContact CB-CD1 3.65Å; F257-I403 HydrophobicContact CD1-CD1 4.2Å; F257-I403 HydrophobicContact CG-CD1 3.93Å; I403-I407 WeakPolarHBondContact CA-O 3.37Å; I403-V408 HydrophobicContact CD1-CG2 4.06Å; I403-V408 HydrophobicContact CG1-CG2 4.03Å
404R88.2Confident90.6Very high116 Ų11661.8 Ų61.844%0.43831%0.314SS..EExtended strand (participates in β ladder)trans-140.9135.5174.5-169.7-176.1-179.7155.39.9110I402 G406 I407 E425I402-R404 HydrophobicContact CG2-CB 4.38Å; R404-G406 PolarHBondContact O-N 3.4Å; R404-I407 PolarHBondContact N-O 3.32Å; R404-I407 PolarHBondContact O-N 3.34Å; R404-E425 IonicContact CZ-OE1 3.28Å; R404-E425 VanDerWaalsContact CZ-OE1 3.28Å; R404-E425 IonicContact NH1-OE1 2.71Å; R404-E425 PolarHBondContact NH1-OE1 3Å; R404-E425 IonicContact NH2-OE1 2.97Å; R404-E425 PolarHBondContact NH2-OE1 3.09Å
405D85.4Confident90.4Very high129 Ų12956.8 Ų56.869%0.6929%0.292SS*.THydrogen-bonded Turntrans51.530.7176.8-58-45.2000114.1I407D405-I407 VanDerWaalsContact C-N 3.32Å
406G87.3Confident90.2Very high5 Ų560 Ų605%0.05231%0.307CS..THydrogen-bonded Turntrans76.59.7-178.400000115.9V230 L231 R232 R404V230-G406 WeakPolarHBondContact O-CA 3.28Å; L231-G406 CarbonylContact C-O 3.56Å; L231-G406 WeakPolarHBondContact CA-O 3.24Å; R232-G406 PolarHBondContact N-O 3.03Å; R404-G406 PolarHBondContact O-N 3.4Å
407I90.7Very high89.9Confident95 Ų9564 Ų6449%0.48733%0.325SS..EExtended strand (participates in β ladder)trans-104.4136.7173.8-52.6176000108.2I403 R404 D405 T409I403-I407 WeakPolarHBondContact CA-O 3.37Å; R404-I407 PolarHBondContact N-O 3.32Å; R404-I407 PolarHBondContact O-N 3.34Å; D405-I407 VanDerWaalsContact C-N 3.32Å; I407-T409 HydrophobicContact CG2-CG2 3.8Å
408V93.1Very high89.7Confident24 Ų2463.8 Ų63.815%0.14532%0.321CS..EExtended strand (participates in β ladder)trans-100.3120.5171.4-175.40000107.5L231 V234 F257 L401 I402 I403L231-V408 HydrophobicContact CD2-CG2 4.16Å; V234-V408 HydrophobicContact CB-CG2 4.36Å; V234-V408 HydrophobicContact CG1-CB 3.96Å; V234-V408 HydrophobicContact CG1-CG2 3.67Å; V234-V408 HydrophobicContact CG2-CB 4.42Å; V234-V408 HydrophobicContact CG2-CG2 3.72Å; F257-V408 HydrophobicContact CD2-CG2 4.18Å; F257-V408 HydrophobicContact CE2-CG2 4.19Å; F257-V408 HydrophobicContact CZ-CG1 4.5Å; L401-V408 HydrophobicContact CB-CG1 4.34Å; L401-V408 HydrophobicContact CD1-CG1 4.19Å; I402-V408 WeakPolarHBondContact O-CA 3.27Å; I403-V408 HydrophobicContact CD1-CG2 4.06Å; I403-V408 HydrophobicContact CG1-CG2 4.03Å
409T92.3Very high89.4Confident70 Ų7056.9 Ų56.943%0.42929%0.291SS..EExtended strand (participates in β ladder)trans-126.7142.6-179.252.50000109.9L401 I402 I407L401-T409 CarbonylContact C-O 3.54Å; L401-T409 WeakPolarHBondContact CA-O 3.3Å; I402-T409 PolarHBondContact N-O 3.48Å; I402-T409 PolarHBondContact O-N 2.9Å; I402-T409 PolarHBondContact O-OG1 3.25Å; I407-T409 HydrophobicContact CG2-CG2 3.8Å
410Q92.2Very high89.1Confident121 Ų12156 Ų5657%0.56529%0.294SS*.EExtended strand (participates in β ladder)trans-87.4134.3172.4-175.3170.8-4.500109.4L400 L401L400-Q410 WeakPolarHBondContact O-CA 3.43Å; L401-Q410 HydrophobicContact CD2-CB 3.75Å; L401-Q410 HydrophobicContact CD2-CG 4.12Å
411L90.3Very high88.7Confident36 Ų3658.7 Ų58.719%0.18831%0.312CS..EExtended strand (participates in β ladder)trans-103.6121.3175.1-164.575.4000109.6L400 I402 G414 E417L400-L411 HydrophobicContact CB-CB 4.45Å; L400-L411 HydrophobicContact CD2-CB 4.31Å; L400-L411 HydrophobicContact CD2-CD2 4.02Å; L400-L411 PolarHBondContact O-N 2.86Å; I402-L411 HydrophobicContact CD1-CB 3.83Å; I402-L411 HydrophobicContact CD1-CD1 4.01Å; I402-L411 HydrophobicContact CD1-CD2 3.95Å; I402-L411 HydrophobicContact CD1-CG 4.14Å; I402-L411 HydrophobicContact CG1-CB 4.34Å; L411-G414 WeakPolarHBondContact CD2-O 3.49Å; L411-E417 HydrophobicContact CD1-CG 4.34Å; L411-E417 HydrophobicContact CD2-CB 3.93Å; L411-E417 HydrophobicContact CD2-CG 4Å; L411-E417 HydrophobicContact CG-CG 4.39Å
412E85.8Confident88.2Confident192 Ų19258.5 Ų58.590%0.89731%0.311SS*.THydrogen-bonded Turntrans-76.5-36.3-176.9-66.5-174.9173.500112.8G414E412-G414 PolarHBondContact O-N 2.89Å
413G83.2Confident87.8Confident36 Ų3662 Ų6237%0.37133%0.326SS..THydrogen-bonded Turntrans-80.514.4-179.200000115.1E417G413-E417 WeakPolarHBondContact CA-OE2 3.47Å; G413-E417 PolarHBondContact N-OE2 3.13Å; G413-E417 WeakPolarHBondContact O-CB 3.31Å; G413-E417 PolarHBondContact O-N 2.93Å
414G87.3Confident87.5Confident21 Ų2168.8 Ų68.822%0.21636%0.356CS..Hα-helixtrans62.4-153.5171.300000114.3L400 L411 E412 E416 Y418L400-G414 VanDerWaalsContact CD2-O 3.31Å; L400-G414 WeakPolarHBondContact CD2-O 3.41Å; L411-G414 WeakPolarHBondContact CD2-O 3.49Å; E412-G414 PolarHBondContact O-N 2.89Å; G414-E416 VanDerWaalsContact C-N 3.34Å; G414-E416 PolarHBondContact O-N 3.45Å; G414-Y418 PolarHBondContact O-N 3.12Å
415I86Confident87.1Confident8 Ų865.2 Ų65.24%0.04134%0.344CS..Hα-helixtrans-70.9-31.1-173.9-172.4151.5000112.6M84 E390 I393 K394 Y418 K419M84-I415 HydrophobicContact SD-CD1 4.19Å; E390-I415 HydrophobicContact CB-CD1 3.94Å; E390-I415 HydrophobicContact CG-CD1 3.78Å; E390-I415 HydrophobicContact CG-CG1 4.4Å; I393-I415 HydrophobicContact CB-CD1 3.94Å; I393-I415 HydrophobicContact CD1-CD1 3.5Å; I393-I415 HydrophobicContact CG1-CD1 4.3Å; I393-I415 HydrophobicContact CG2-CB 4.29Å; I393-I415 HydrophobicContact CG2-CD1 3.83Å; K394-I415 HydrophobicContact CG-CG2 4.11Å; I415-Y418 PolarHBondContact O-N 3.47Å; I415-K419 PolarHBondContact O-N 3.02Å
416E87.3Confident86.6Confident108 Ų10859.8 Ų59.851%0.50532%0.315SS..Hα-helixtrans-65.7-45.1179.7-66.776.2-169.800111.3K394 G414 Y418 K419 A420K394-E416 WeakPolarHBondContact CE-OE1 3.32Å; K394-E416 IonicContact NZ-OE1 3.82Å; G414-E416 VanDerWaalsContact C-N 3.34Å; G414-E416 PolarHBondContact O-N 3.45Å; E416-Y418 VanDerWaalsContact C-N 3.32Å; E416-Y418 PolarHBondContact O-N 3.12Å; E416-K419 PolarHBondContact O-N 3.31Å; E416-A420 WeakPolarHBondContact O-CB 3.5Å; E416-A420 PolarHBondContact O-N 3.29Å
417E88Confident85.8Confident93 Ų9364.6 Ų64.644%0.43534%0.344SS..Hα-helixtrans-64.1-40.1174.5-178.5178.4-161.600111L411 G413 A420 C421L411-E417 HydrophobicContact CD1-CG 4.34Å; L411-E417 HydrophobicContact CD2-CB 3.93Å; L411-E417 HydrophobicContact CD2-CG 4Å; L411-E417 HydrophobicContact CG-CG 4.39Å; G413-E417 WeakPolarHBondContact CA-OE2 3.47Å; G413-E417 PolarHBondContact N-OE2 3.13Å; G413-E417 WeakPolarHBondContact O-CB 3.31Å; G413-E417 PolarHBondContact O-N 2.93Å; E417-A420 PolarHBondContact O-N 3.27Å; E417-C421 WeakPolarHBondContact O-CB 3.38Å; E417-C421 PolarHBondContact O-N 3.02Å
418Y87.3Confident84.3Confident17 Ų1768.5 Ų68.57%0.06736%0.357CS..Hα-helixtrans-62.2-46.7177.2-175.1-111.5000112.1M84 V247 L400 I402 G414 I415 E416 A420 C421 I422M84-Y418 HydrophobicContact CB-CE1 4.31Å; M84-Y418 HydrophobicContact CE-CD1 3.64Å; M84-Y418 HydrophobicContact CE-CE1 3.27Å; M84-Y418 HydrophobicContact SD-CD1 4.03Å; M84-Y418 HydrophobicContact SD-CE1 3.95Å; V247-Y418 HydrophobicContact CB-CE1 4.18Å; V247-Y418 HydrophobicContact CG2-CD1 4.22Å; V247-Y418 HydrophobicContact CG2-CD2 4.2Å; V247-Y418 HydrophobicContact CG2-CE1 3.96Å; V247-Y418 HydrophobicContact CG2-CE2 3.93Å; V247-Y418 HydrophobicContact CG2-CG 4.33Å; L400-Y418 HydrophobicContact CD2-CG 4.2Å; I402-Y418 HydrophobicContact CD1-CD2 3.53Å; I402-Y418 HydrophobicContact CD1-CE2 3.87Å; I402-Y418 HydrophobicContact CG1-CD2 3.95Å; I402-Y418 HydrophobicContact CG1-CE2 4Å; I402-Y418 HydrophobicContact CG2-CE2 4.11Å; G414-Y418 PolarHBondContact O-N 3.12Å; I415-Y418 PolarHBondContact O-N 3.47Å; E416-Y418 VanDerWaalsContact C-N 3.32Å; E416-Y418 PolarHBondContact O-N 3.12Å; Y418-A420 PolarHBondContact O-N 2.85Å; Y418-C421 WeakPolarHBondContact O-CB 3.46Å; Y418-C421 PolarHBondContact O-N 3.13Å; Y418-I422 HydrophobicContact CD1-CD1 3.66Å; Y418-I422 HydrophobicContact CE1-CD1 3.16Å; Y418-I422 HydrophobicContact CE1-CG1 4.24Å; Y418-I422 HydrophobicContact CE2-CD1 4.21Å; Y418-I422 HydrophobicContact CG-CD1 4.35Å; Y418-I422 VanDerWaalsContact CZ-CD1 3.49Å; Y418-I422 WeakPolarHBondContact O-CG1 3.19Å; Y418-I422 PolarHBondContact O-N 2.94Å
419K85.8Confident82.6Confident31 Ų3171.1 Ų71.114%0.13537%0.37CS..Hα-helixtrans-58.7-46.5174.2-83.3-165153.1-168.80111.4L88 E109 E390 I415 E416 C421 I422 Q423L88-K419 HydrophobicContact CD1-CG 4.32Å; E109-K419 IonicContact OE1-NZ 3.69Å; E390-K419 WeakPolarHBondContact OE2-CE 3.34Å; E390-K419 IonicContact OE2-NZ 2.74Å; E390-K419 PolarHBondContact OE2-NZ 3.4Å; I415-K419 PolarHBondContact O-N 3.02Å; E416-K419 PolarHBondContact O-N 3.31Å; K419-C421 VanDerWaalsContact C-N 3.29Å; K419-C421 PolarHBondContact O-N 3.43Å; K419-I422 PolarHBondContact O-N 3.04Å; K419-Q423 WeakPolarHBondContact O-CB 3.42Å; K419-Q423 WeakPolarHBondContact O-CG 3.46Å; K419-Q423 PolarHBondContact O-N 3.24Å
420A87.3Confident80.3Confident37 Ų3776.9 Ų76.931%0.30640%0.396SS..Hα-helixtrans-62.4-37178.300000112.3E416 E417 Y418 K424E416-A420 WeakPolarHBondContact O-CB 3.5Å; E416-A420 PolarHBondContact O-N 3.29Å; E417-A420 PolarHBondContact O-N 3.27Å; Y418-A420 PolarHBondContact O-N 2.85Å; A420-K424 VanDerWaalsContact O-CG 3.29Å; A420-K424 WeakPolarHBondContact O-CG 3.35Å; A420-K424 PolarHBondContact O-N 3.07Å; A420-K424 VanDerWaalsContact O-N 3.11Å
421C86.1Confident79.8Confident61 Ų6174.7 Ų74.741%0.41239%0.387SS..Hα-helixtrans-63.1-48.5173.9-172.30000111E417 Y418 K419 Q423 K424 E425E417-C421 WeakPolarHBondContact O-CB 3.38Å; E417-C421 PolarHBondContact O-N 3.02Å; Y418-C421 WeakPolarHBondContact O-CB 3.46Å; Y418-C421 PolarHBondContact O-N 3.13Å; K419-C421 VanDerWaalsContact C-N 3.29Å; K419-C421 PolarHBondContact O-N 3.43Å; C421-Q423 PolarHBondContact O-N 2.67Å; C421-K424 PolarHBondContact O-N 3.22Å; C421-E425 PolarHBondContact O-N 3.48Å; C421-E425 VanDerWaalsContact O-N 3.08Å
422I85.1Confident79.2Confident5 Ų576.7 Ų76.73%0.02640%0.398CS..Hα-helixtrans-60.8-46.7177.2-70.7168.3000111.5M84 K85 L88 Y418 K419 K424 E425 L426M84-I422 HydrophobicContact CB-CD1 4.31Å; K85-I422 HydrophobicContact CB-CD1 4.28Å; K85-I422 HydrophobicContact CB-CG1 4.48Å; K85-I422 HydrophobicContact CB-CG2 3.91Å; K85-I422 HydrophobicContact CD-CG2 4.48Å; K85-I422 HydrophobicContact CG-CG2 3.86Å; L88-I422 HydrophobicContact CD1-CB 4.19Å; L88-I422 HydrophobicContact CD1-CD1 4.4Å; L88-I422 HydrophobicContact CD1-CG2 3.73Å; Y418-I422 HydrophobicContact CD1-CD1 3.66Å; Y418-I422 HydrophobicContact CE1-CD1 3.16Å; Y418-I422 HydrophobicContact CE1-CG1 4.24Å; Y418-I422 HydrophobicContact CE2-CD1 4.21Å; Y418-I422 HydrophobicContact CG-CD1 4.35Å; Y418-I422 VanDerWaalsContact CZ-CD1 3.49Å; Y418-I422 WeakPolarHBondContact O-CG1 3.19Å; Y418-I422 PolarHBondContact O-N 2.94Å; K419-I422 PolarHBondContact O-N 3.04Å; I422-K424 VanDerWaalsContact C-N 3.29Å; I422-K424 PolarHBondContact O-N 3.03Å; I422-E425 CarbonylContact O-C 3.59Å; I422-E425 WeakPolarHBondContact O-CA 3.46Å; I422-E425 WeakPolarHBondContact O-CB 3.29Å; I422-E425 PolarHBondContact O-N 3.04Å; I422-L426 HydrophobicContact CG2-CD1 3.86Å; I422-L426 HydrophobicContact CG2-CG 4.11Å; I422-L426 WeakPolarHBondContact O-CG 3.4Å; I422-L426 PolarHBondContact O-N 3.38Å
423Q83.5Confident78.8Confident94 Ų9470.3 Ų70.344%0.43937%0.37SS..Hα-helixtrans-59.3-41.9-180-75.7176.9-8.100111.4K419 C421 E425 L426 V427K419-Q423 WeakPolarHBondContact O-CB 3.42Å; K419-Q423 WeakPolarHBondContact O-CG 3.46Å; K419-Q423 PolarHBondContact O-N 3.24Å; C421-Q423 PolarHBondContact O-N 2.67Å; Q423-E425 VanDerWaalsContact C-N 3.28Å; Q423-E425 PolarHBondContact O-N 3.5Å; Q423-L426 PolarHBondContact O-N 3.04Å; Q423-V427 WeakPolarHBondContact O-CG2 3.27Å; Q423-V427 PolarHBondContact O-N 2.98Å
424K84.5Confident78.6Confident145 Ų14572.4 Ų72.463%0.6337%0.37SS*.Hα-helixtrans-62.9-33.9174.1-73.3171.8-176.1173.40112.7A420 C421 I422 K428A420-K424 VanDerWaalsContact O-CG 3.29Å; A420-K424 WeakPolarHBondContact O-CG 3.35Å; A420-K424 PolarHBondContact O-N 3.07Å; A420-K424 VanDerWaalsContact O-N 3.11Å; C421-K424 PolarHBondContact O-N 3.22Å; I422-K424 VanDerWaalsContact C-N 3.29Å; I422-K424 PolarHBondContact O-N 3.03Å; K424-K428 WeakPolarHBondContact O-CG 3.46Å; K424-K428 PolarHBondContact O-N 3.18Å
425E80.6Confident78Confident41 Ų4175.6 Ų75.619%0.19238%0.38CS..Hα-helixtrans-69.1-45172.6-68.3-170.1168.200111.4K85 R404 C421 I422 Q423 V427 K428 L429K85-E425 IonicContact NZ-OE2 2.88Å; K85-E425 PolarHBondContact NZ-OE2 3.47Å; R404-E425 IonicContact CZ-OE1 3.28Å; R404-E425 VanDerWaalsContact CZ-OE1 3.28Å; R404-E425 IonicContact NH1-OE1 2.71Å; R404-E425 PolarHBondContact NH1-OE1 3Å; R404-E425 IonicContact NH2-OE1 2.97Å; R404-E425 PolarHBondContact NH2-OE1 3.09Å; C421-E425 PolarHBondContact O-N 3.48Å; C421-E425 VanDerWaalsContact O-N 3.08Å; I422-E425 CarbonylContact O-C 3.59Å; I422-E425 WeakPolarHBondContact O-CA 3.46Å; I422-E425 WeakPolarHBondContact O-CB 3.29Å; I422-E425 PolarHBondContact O-N 3.04Å; Q423-E425 VanDerWaalsContact C-N 3.28Å; Q423-E425 PolarHBondContact O-N 3.5Å; E425-V427 VanDerWaalsContact C-N 3.35Å; E425-V427 PolarHBondContact O-N 3.3Å; E425-K428 WeakPolarHBondContact O-CB 3.38Å; E425-K428 PolarHBondContact O-N 3.44Å; E425-K428 VanDerWaalsContact O-N 3.14Å; E425-L429 WeakPolarHBondContact O-CD1 3.3Å; E425-L429 WeakPolarHBondContact O-CG 3.32Å; E425-L429 PolarHBondContact O-N 3.37Å
426L75.2Confident77.5Confident16 Ų1680.1 Ų80.18%0.08440%0.402CS..Hα-helixtrans-61.6-39.9179.2-68.9174.2000112.5K85 L88 W89 I422 Q423 K428 L429 I430K85-L426 HydrophobicContact CG-CD2 4.23Å; L88-L426 HydrophobicContact CB-CD1 4.05Å; W89-L426 HydrophobicContact CB-CD1 4.42Å; W89-L426 HydrophobicContact CB-CD2 4.09Å; I422-L426 HydrophobicContact CG2-CD1 3.86Å; I422-L426 HydrophobicContact CG2-CG 4.11Å; I422-L426 WeakPolarHBondContact O-CG 3.4Å; I422-L426 PolarHBondContact O-N 3.38Å; Q423-L426 PolarHBondContact O-N 3.04Å; L426-K428 VanDerWaalsContact C-N 3.27Å; L426-K428 PolarHBondContact O-N 3.25Å; L426-L429 HydrophobicContact CD2-CD1 4.4Å; L426-L429 WeakPolarHBondContact O-CB 3.49Å; L426-L429 PolarHBondContact O-N 3Å; L426-I430 PolarHBondContact O-N 3.5Å
427V70.2Confident76.8Confident106 Ų10678.1 Ų78.164%0.64240%0.395SS*.Hα-helixtrans-66.4-28.3176.5173.40000112.3Q423 E425 L429Q423-V427 WeakPolarHBondContact O-CG2 3.27Å; Q423-V427 PolarHBondContact O-N 2.98Å; E425-V427 VanDerWaalsContact C-N 3.35Å; E425-V427 PolarHBondContact O-N 3.3Å; V427-L429 PolarHBondContact O-N 3.2Å
428K60.2Low75.9Confident176 Ų17676.9 Ų76.977%0.76539%0.392SS*.THydrogen-bonded Turntrans-76.9-12.3173.9-70.8174-178.2-179.20113.2K424 E425 L426K424-K428 WeakPolarHBondContact O-CG 3.46Å; K424-K428 PolarHBondContact O-N 3.18Å; E425-K428 WeakPolarHBondContact O-CB 3.38Å; E425-K428 PolarHBondContact O-N 3.44Å; E425-K428 VanDerWaalsContact O-N 3.14Å; L426-K428 VanDerWaalsContact C-N 3.27Å; L426-K428 PolarHBondContact O-N 3.25Å
429L55.7Low75Confident80 Ų8081.9 Ų81.942%0.41942%0.419SS..THydrogen-bonded Turntrans-98.7-18.1-174.6-69.4167000113.1F36 E425 L426 V427F36-L429 HydrophobicContact CE1-CB 3.98Å; F36-L429 HydrophobicContact CE1-CD1 3.81Å; F36-L429 HydrophobicContact CE1-CD2 3.44Å; F36-L429 VanDerWaalsContact CE1-CD2 3.44Å; F36-L429 HydrophobicContact CE1-CG 3.9Å; F36-L429 HydrophobicContact CZ-CD1 4.29Å; F36-L429 HydrophobicContact CZ-CD2 3.49Å; F36-L429 VanDerWaalsContact CZ-CD2 3.49Å; F36-L429 HydrophobicContact CZ-CG 4.36Å; E425-L429 WeakPolarHBondContact O-CD1 3.3Å; E425-L429 WeakPolarHBondContact O-CG 3.32Å; E425-L429 PolarHBondContact O-N 3.37Å; L426-L429 HydrophobicContact CD2-CD1 4.4Å; L426-L429 WeakPolarHBondContact O-CB 3.49Å; L426-L429 PolarHBondContact O-N 3Å; V427-L429 PolarHBondContact O-N 3.2Å
430I45.7Very low74Confident191 Ų19186.5 Ų86.598%0.97945%0.445SS*.  trans-88.90167.7-59.9162.1000108L426L426-I430 PolarHBondContact O-N 3.5Å

Retrieved 430 of 430 residues in 449.1 ms (Link to these results)

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