A0A096MPA6_PAPAN Loading...

Triokinase/FMN cyclase

Catalyzes both the phosphorylation of dihydroxyacetone and of glyceraldehyde, and the splitting of ribonucleoside diphosphate-X compounds among which FAD is the best substrate. Represses IFIH1-mediated cellular antiviral response.

AlphaFold DB (A0A2K6BKC7), UniProt , Accession A0A096MPA6, Species PAPAN (Papio anubis, Olive baboon), Gene TKFC, Length 575 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
1M53.6Low84.1Confident212 Ų212111.4 Ų111.4100%1.04461%0.614SS**  0157.30-63.3-178.3-154.800108.3
2T65.8Low84.9Confident94 Ų94103.3 Ų103.358%0.57758%0.575SS**PPolyproline II helixtrans-61.5139.7170.943.90000109.9
3S73.6Confident85.6Confident37 Ų3796.6 Ų96.626%0.25954%0.54SS..PPolyproline II helixtrans-64.5139.7177.9174.30000110.8S199 S203 E308S3-S199 WeakPolarHBondContact CB-OG 3.34Å; S3-S203 PolarHBondContact N-O 3.36Å; S3-E308 PolarHBondContact OG-OE1 3.11Å
4K83.8Confident86.4Confident204 Ų20490.1 Ų90.189%0.88750%0.504SS*.PPolyproline II helixtrans-77.8130175.4-65-176.2-175.6179.80108.8
5K90.3Very high87.1Confident60 Ų6088.6 Ų88.626%0.26150%0.495SS..  trans-136.2142.7-179.3-62.8-68.3-173.5167.20110.1V7 S199 P201 E308K5-V7 HydrophobicContact CB-CG1 4.27Å; K5-V7 HydrophobicContact CB-CG2 4.07Å; K5-V7 PolarHBondContact O-N 2.83Å; K5-S199 WeakPolarHBondContact CE-O 3.39Å; K5-S199 PolarHBondContact NZ-O 2.98Å; K5-P201 HydrophobicContact CG-CB 4.43Å; K5-P201 HydrophobicContact CG-CG 4.46Å; K5-E308 VanDerWaalsContact CE-OE1 3.28Å; K5-E308 WeakPolarHBondContact CE-OE1 3.37Å; K5-E308 IonicContact NZ-OE1 3.1Å; K5-E308 PolarHBondContact NZ-OE1 2.72Å; K5-E308 IonicContact NZ-OE2 2.68Å; K5-E308 PolarHBondContact NZ-OE2 3.31Å
6L94.3Very high87.7Confident187 Ų18787.4 Ų87.498%0.97949%0.487SS*.  trans-85.982.4170.7-63.3178000108.9
7V94.2Very high88.3Confident62 Ų6285.2 Ų85.238%0.37648%0.483SS..  trans-138.4144.9178.5-64.20000110K5 C13K5-V7 HydrophobicContact CB-CG1 4.27Å; K5-V7 HydrophobicContact CB-CG2 4.07Å; K5-V7 PolarHBondContact O-N 2.83Å; V7-C13 HydrophobicContact CB-CB 4.15Å; V7-C13 HydrophobicContact CG1-CB 3.81Å
8N94.8Very high88.8Confident147 Ų14781.2 Ų81.279%0.78646%0.46SS*.SBendtrans-72.9-40.3175.7-61.5-44.9000111.5D16N8-D16 PolarHBondContact ND2-OD2 3.38Å
9S94.1Very high89.3Confident56 Ų5679.2 Ų79.239%0.39245%0.454SS..  trans-150.9153.4174.173.40000110.9G12 C13S9-G12 PolarHBondContact OG-N 3.34Å; S9-C13 WeakPolarHBondContact O-CB 3.24Å; S9-C13 PolarHBondContact O-N 3.12Å
10V90.8Very high89.7Confident80 Ų8077 Ų7749%0.48545%0.449SS..THydrogen-bonded Turntrans-65.1-43.5176.7172.50000111.1C13 P201V10-C13 PolarHBondContact O-SG 3.23Å; V10-P201 HydrophobicContact CG1-CB 4.44Å; V10-P201 WeakPolarHBondContact CG1-O 3.36Å; V10-P201 HydrophobicContact CG2-CB 4.32Å
11A90.3Very high90.1Very high86 Ų8675.2 Ų75.271%0.71144%0.438SS*.THydrogen-bonded Turntrans-70.6-37-176.400000113.2
12G93.4Very high92.2Very high14 Ų1466.3 Ų66.314%0.14440%0.395CS..THydrogen-bonded Turntrans-91.8-6-175.700000115.3S9 A14 D15 D16S9-G12 PolarHBondContact OG-N 3.34Å; G12-A14 PolarHBondContact O-N 3.42Å; G12-A14 VanDerWaalsContact O-N 3.12Å; G12-D15 WeakPolarHBondContact O-CB 3.44Å; G12-D15 PolarHBondContact O-N 3.38Å; G12-D16 PolarHBondContact O-N 2.92Å
13C94.1Very high93.8Very high17 Ų1766 Ų6612%0.11540%0.402CS..Hα-helixtrans-58.4-32.8-172.263.70000114.3V7 S9 V10 A17V7-C13 HydrophobicContact CB-CB 4.15Å; V7-C13 HydrophobicContact CG1-CB 3.81Å; S9-C13 WeakPolarHBondContact O-CB 3.24Å; S9-C13 PolarHBondContact O-N 3.12Å; V10-C13 PolarHBondContact O-SG 3.23Å; C13-A17 VanDerWaalsContact O-CB 3.26Å; C13-A17 WeakPolarHBondContact O-CB 3.44Å; C13-A17 PolarHBondContact O-N 3.31Å
14A96Very high94.9Very high5 Ų569 Ų694%0.04142%0.422CS..Hα-helixtrans-70.7-33.6176.100000112.7G12 L18 S57G12-A14 PolarHBondContact O-N 3.42Å; G12-A14 VanDerWaalsContact O-N 3.12Å; A14-L18 WeakPolarHBondContact O-CB 3.45Å; A14-L18 PolarHBondContact O-N 2.97Å; A14-S57 WeakPolarHBondContact CB-OG 3.36Å
15D97.4Very high95.6Very high68 Ų6860.7 Ų60.736%0.36439%0.388SS..Hα-helixtrans-72.5-46.2174.7-60.2-64.1000110.7G12 A17 L18 A19 R35G12-D15 WeakPolarHBondContact O-CB 3.44Å; G12-D15 PolarHBondContact O-N 3.38Å; D15-A17 VanDerWaalsContact C-N 3.32Å; D15-A17 PolarHBondContact O-N 2.97Å; D15-L18 PolarHBondContact O-N 2.86Å; D15-A19 VanDerWaalsContact O-CB 3.31Å; D15-A19 WeakPolarHBondContact O-CB 3.41Å; D15-A19 PolarHBondContact O-N 3.46Å; D15-R35 VanDerWaalsContact CG-NE 3.34Å; D15-R35 IonicContact OD1-CZ 3.94Å; D15-R35 IonicContact OD1-NE 3.82Å; D15-R35 PolarHBondContact OD1-NE 3.44Å; D15-R35 IonicContact OD1-NH2 2.77Å; D15-R35 PolarHBondContact OD1-NH2 3.34Å; D15-R35 IonicContact OD2-CZ 2.69Å; D15-R35 IonicContact OD2-NE 3.72Å; D15-R35 PolarHBondContact OD2-NE 3.21Å; D15-R35 IonicContact OD2-NH2 2.91Å; D15-R35 PolarHBondContact OD2-NH2 3.08Å
16D97.4Very high95.8Very high70 Ų7063.3 Ų63.337%0.37441%0.41SS..Hα-helixtrans-57.7-44.4176.6-71.3-7.6000111.2N8 G12 A19 G20N8-D16 PolarHBondContact ND2-OD2 3.38Å; G12-D16 PolarHBondContact O-N 2.92Å; D16-A19 PolarHBondContact O-N 3.06Å; D16-G20 PolarHBondContact O-N 3.34Å
17A97.1Very high95.9Very high50 Ų5059.4 Ų59.441%0.41339%0.391SS..Hα-helixtrans-64.7-44178.300000112.3C13 D15 G20 L21C13-A17 VanDerWaalsContact O-CB 3.26Å; C13-A17 WeakPolarHBondContact O-CB 3.44Å; C13-A17 PolarHBondContact O-N 3.31Å; D15-A17 VanDerWaalsContact C-N 3.32Å; D15-A17 PolarHBondContact O-N 2.97Å; A17-G20 PolarHBondContact O-N 3.22Å; A17-L21 PolarHBondContact O-N 3.37Å
18L97.8Very high96.1Very high13 Ų1357.2 Ų57.27%0.06838%0.377CS..Hα-helixtrans-67.6-39.5178.4-166.268.5000111.5A14 D15 L21 V22 L30 R35 A37 A64A14-L18 WeakPolarHBondContact O-CB 3.45Å; A14-L18 PolarHBondContact O-N 2.97Å; D15-L18 PolarHBondContact O-N 2.86Å; L18-L21 PolarHBondContact O-N 3.4Å; L18-V22 PolarHBondContact O-N 3.36Å; L18-L30 HydrophobicContact CD2-CD2 3.73Å; L18-L30 HydrophobicContact CG-CD2 3.79Å; L18-R35 HydrophobicContact CD2-CG 3.77Å; L18-A37 HydrophobicContact CD1-CB 3.75Å; L18-A37 HydrophobicContact CD2-CB 4.29Å; L18-A37 HydrophobicContact CG-CB 4.14Å; L18-A64 HydrophobicContact CD1-CB 3.84Å
19A98Very high96.3Very high42 Ų4253.8 Ų53.835%0.34736%0.356SS..Hα-helixtrans-63.3-42.8174.700000111.7D15 D16 L21 V22 A23 L30D15-A19 VanDerWaalsContact O-CB 3.31Å; D15-A19 WeakPolarHBondContact O-CB 3.41Å; D15-A19 PolarHBondContact O-N 3.46Å; D16-A19 PolarHBondContact O-N 3.06Å; A19-L21 VanDerWaalsContact C-N 3.35Å; A19-L21 PolarHBondContact O-N 3.05Å; A19-V22 PolarHBondContact O-N 3.4Å; A19-A23 VanDerWaalsContact O-CB 3.32Å; A19-A23 WeakPolarHBondContact O-CB 3.34Å; A19-A23 PolarHBondContact O-N 3.2Å; A19-L30 HydrophobicContact CB-CD1 4.39Å
20G97.9Very high96.5Very high35 Ų3554.9 Ų54.936%0.36136%0.357SS..Hα-helixtrans-60.4-41.7174.300000112.7D16 A17 A23 C24D16-G20 PolarHBondContact O-N 3.34Å; A17-G20 PolarHBondContact O-N 3.22Å; G20-A23 PolarHBondContact O-N 3.15Å; G20-C24 PolarHBondContact O-N 3.14Å; G20-C24 VanDerWaalsContact O-N 3.17Å; G20-C24 PolarHBondContact O-SG 3.38Å; G20-C24 VanDerWaalsContact O-SG 3.4Å
21L97.6Very high96.9Very high40 Ų4053 Ų5321%0.20934%0.344CS..Hα-helixtrans-59.5-50.9173.6179.975000111.2A17 L18 A19 A23 C24 N25 L28 A64A17-L21 PolarHBondContact O-N 3.37Å; L18-L21 PolarHBondContact O-N 3.4Å; A19-L21 VanDerWaalsContact C-N 3.35Å; A19-L21 PolarHBondContact O-N 3.05Å; L21-A23 PolarHBondContact O-N 3.5Å; L21-C24 PolarHBondContact O-N 3.18Å; L21-N25 WeakPolarHBondContact O-CB 3.44Å; L21-N25 PolarHBondContact O-N 3.18Å; L21-N25 PolarHBondContact O-ND2 3.25Å; L21-L28 HydrophobicContact CD2-CD1 4.05Å; L21-L28 HydrophobicContact CG-CD1 4.01Å; L21-A64 HydrophobicContact CD2-CB 3.29Å
22V98.3Very high97.2Very high25 Ų2557.8 Ų57.815%0.15235%0.352CS..Hα-helixtrans-64.5-40.9-178.5172.30000111.5L18 A19 C24 N25 L28 L30 A37L18-V22 PolarHBondContact O-N 3.36Å; A19-V22 PolarHBondContact O-N 3.4Å; V22-C24 VanDerWaalsContact C-N 3.26Å; V22-C24 PolarHBondContact O-N 3.32Å; V22-N25 CarbonylContact O-C 3.57Å; V22-N25 PolarHBondContact O-N 3.48Å; V22-N25 VanDerWaalsContact O-N 3.1Å; V22-L28 HydrophobicContact CG1-CB 4.49Å; V22-L28 HydrophobicContact CG2-CB 4.08Å; V22-L30 HydrophobicContact CB-CD2 4.49Å; V22-L30 HydrophobicContact CB-CG 4.23Å; V22-L30 HydrophobicContact CG1-CG 4.28Å; V22-L30 HydrophobicContact CG2-CD2 3.76Å; V22-L30 HydrophobicContact CG2-CG 3.92Å; V22-A37 HydrophobicContact CG2-CB 4.07Å
23A97.9Very high97.3Very high87 Ų8760.9 Ų60.972%0.71938%0.384SS*.Hα-helixtrans-60.5-34.617800000113.2A19 G20 L21A19-A23 VanDerWaalsContact O-CB 3.32Å; A19-A23 WeakPolarHBondContact O-CB 3.34Å; A19-A23 PolarHBondContact O-N 3.2Å; G20-A23 PolarHBondContact O-N 3.15Å; L21-A23 PolarHBondContact O-N 3.5Å
24C97.6Very high97.5Very high101 Ų10163.3 Ų63.368%0.68239%0.393SS*.Hα-helixtrans-85.7-6.9178.4-67.30000113.9G20 L21 V22G20-C24 PolarHBondContact O-N 3.14Å; G20-C24 VanDerWaalsContact O-N 3.17Å; G20-C24 PolarHBondContact O-SG 3.38Å; G20-C24 VanDerWaalsContact O-SG 3.4Å; L21-C24 PolarHBondContact O-N 3.18Å; V22-C24 VanDerWaalsContact C-N 3.26Å; V22-C24 PolarHBondContact O-N 3.32Å
25N97.6Very high97.6Very high30 Ų3065.1 Ų65.116%0.1640%0.399CS..  trans-133.693.1-172-67.6-79.9000110.7L21 V22 N27 L28 V334L21-N25 WeakPolarHBondContact O-CB 3.44Å; L21-N25 PolarHBondContact O-N 3.18Å; L21-N25 PolarHBondContact O-ND2 3.25Å; V22-N25 CarbonylContact O-C 3.57Å; V22-N25 PolarHBondContact O-N 3.48Å; V22-N25 VanDerWaalsContact O-N 3.1Å; N25-N27 PolarHBondContact O-N 2.88Å; N25-L28 HydrophobicContact CB-CB 4.43Å; N25-L28 HydrophobicContact CB-CD1 3.72Å; N25-L28 HydrophobicContact CB-CG 3.85Å; N25-L28 WeakPolarHBondContact O-CB 3.39Å; N25-L28 PolarHBondContact O-N 2.93Å; N25-V334 WeakPolarHBondContact OD1-CG1 3.45Å
26P96Very high97.7Very high114 Ų11461.9 Ų61.974%0.7438%0.382SS*.THydrogen-bonded Turntrans-65.6-12.6-172.826.7-35.8000114.3L28 S40P26-L28 PolarHBondContact O-N 3.43Å; P26-S40 PolarHBondContact O-OG 2.93Å
27N96.5Very high97.7Very high105 Ų10558.6 Ų58.656%0.56136%0.364SS*.THydrogen-bonded Turntrans-84.64.9174.8-61.7-32.7000113N25 R39 S40N25-N27 PolarHBondContact O-N 2.88Å; N27-R39 CarbonylContact O-C 3.51Å; N27-R39 WeakPolarHBondContact O-CA 3.32Å; N27-S40 VanDerWaalsContact CA-OG 3.27Å; N27-S40 WeakPolarHBondContact CA-OG 3.4Å; N27-S40 PolarHBondContact O-N 3Å; N27-S40 PolarHBondContact O-OG 3.47Å
28L98.4Very high97.8Very high16 Ų1656.4 Ų56.48%0.08435%0.345CS..EExtended strand (participates in β ladder)trans-118.3155.7178.9-54-175.3000110.7L21 V22 N25 P26 L38 I67L21-L28 HydrophobicContact CD2-CD1 4.05Å; L21-L28 HydrophobicContact CG-CD1 4.01Å; V22-L28 HydrophobicContact CG1-CB 4.49Å; V22-L28 HydrophobicContact CG2-CB 4.08Å; N25-L28 HydrophobicContact CB-CB 4.43Å; N25-L28 HydrophobicContact CB-CD1 3.72Å; N25-L28 HydrophobicContact CB-CG 3.85Å; N25-L28 WeakPolarHBondContact O-CB 3.39Å; N25-L28 PolarHBondContact O-N 2.93Å; P26-L28 PolarHBondContact O-N 3.43Å; L28-L38 CarbonylContact C-O 3.51Å; L28-L38 VanDerWaalsContact CA-O 3.31Å; L28-L38 WeakPolarHBondContact CA-O 3.25Å; L28-I67 HydrophobicContact CD2-CB 3.68Å; L28-I67 HydrophobicContact CD2-CD1 4.49Å; L28-I67 HydrophobicContact CD2-CG2 3.35Å
29Q98.3Very high97.8Very high75 Ų7556 Ų5635%0.3534%0.343SS..EExtended strand (participates in β ladder)trans-143.3149.8174.460.1-176.5-20.100111A37 L38 R39Q29-A37 CarbonylContact O-C 3.42Å; Q29-A37 WeakPolarHBondContact O-CA 3.45Å; Q29-L38 HydrophobicContact CG-CB 4.27Å; Q29-L38 PolarHBondContact N-O 3.38Å; Q29-L38 PolarHBondContact O-N 2.9Å; Q29-R39 PolarHBondContact NE2-O 3.25Å
30L98.6Very high97.8Very high80 Ų8056.5 Ų56.542%0.41934%0.344SS..EExtended strand (participates in β ladder)trans-84.8138.7170.7-67.4174000110.1L18 A19 V22 Q32 V36 A37L18-L30 HydrophobicContact CD2-CD2 3.73Å; L18-L30 HydrophobicContact CG-CD2 3.79Å; A19-L30 HydrophobicContact CB-CD1 4.39Å; V22-L30 HydrophobicContact CB-CD2 4.49Å; V22-L30 HydrophobicContact CB-CG 4.23Å; V22-L30 HydrophobicContact CG1-CG 4.28Å; V22-L30 HydrophobicContact CG2-CD2 3.76Å; V22-L30 HydrophobicContact CG2-CG 3.92Å; L30-Q32 PolarHBondContact O-N 3.36Å; L30-V36 WeakPolarHBondContact CA-O 3.38Å; L30-A37 HydrophobicContact CD2-CB 4.47Å
31L98.4Very high97.8Very high40 Ų4058 Ų5821%0.20934%0.344CS..PPolyproline II helixtrans-79.7116.7167.8-174.364.7000109G33 H34 V36 L38 A91 A95L31-G33 PolarHBondContact O-N 2.74Å; L31-H34 HydrophobicContact CB-CB 4.45Å; L31-H34 HydrophobicContact CD2-CB 4.22Å; L31-H34 HydrophobicContact CG-CB 4.41Å; L31-H34 PolarHBondContact O-N 2.95Å; L31-H34 VanDerWaalsContact O-N 3.07Å; L31-V36 HydrophobicContact CB-CB 3.87Å; L31-V36 HydrophobicContact CB-CG1 4.06Å; L31-V36 HydrophobicContact CD2-CB 4.25Å; L31-V36 HydrophobicContact CD2-CG1 4.2Å; L31-V36 HydrophobicContact CD2-CG2 4.5Å; L31-V36 PolarHBondContact N-O 3.42Å; L31-L38 HydrophobicContact CB-CD1 4.45Å; L31-L38 HydrophobicContact CD1-CD1 4.43Å; L31-A91 HydrophobicContact CD2-CB 3.9Å; L31-A95 HydrophobicContact CD1-CB 4.15Å
32Q96.6Very high97.8Very high187 Ų18757 Ų5787%0.87434%0.338SS*.THydrogen-bonded Turntrans-54.9132.2-175.3-169.9177.96.300112.2L30 H34L30-Q32 PolarHBondContact O-N 3.36Å; Q32-H34 PolarHBondContact O-CD2 3.5Å; Q32-H34 PolarHBondContact O-N 3.31Å
33G96.2Very high97.6Very high79 Ų7962.3 Ų62.381%0.81437%0.366SS*.THydrogen-bonded Turntrans79.3-1.3179.500000115.1L31L31-G33 PolarHBondContact O-N 2.74Å
34H98.2Very high97.5Very high67 Ų6761.1 Ų61.131%0.3135%0.352SS..SBendtrans-130.8145.6-178.8-61.7-78.4000111.4L31 Q32 V36 S88 A91L31-H34 HydrophobicContact CB-CB 4.45Å; L31-H34 HydrophobicContact CD2-CB 4.22Å; L31-H34 HydrophobicContact CG-CB 4.41Å; L31-H34 PolarHBondContact O-N 2.95Å; L31-H34 VanDerWaalsContact O-N 3.07Å; Q32-H34 PolarHBondContact O-CD2 3.5Å; Q32-H34 PolarHBondContact O-N 3.31Å; H34-V36 HydrophobicContact CB-CB 4.23Å; H34-V36 HydrophobicContact CB-CG2 3.84Å; H34-V36 PolarHBondContact O-N 3.44Å; H34-S88 PolarHBondContact ND1-OG 3.03Å; H34-A91 WeakPolarHBondContact NE2-CB 3.4Å
35R97.9Very high97.4Very high44 Ų4456.4 Ų56.417%0.16632%0.32CS..SBendtrans-77.365.4169.6-166.7-175.9-64150.72.3110.3D15 L18 A77 G78D15-R35 VanDerWaalsContact CG-NE 3.34Å; D15-R35 IonicContact OD1-CZ 3.94Å; D15-R35 IonicContact OD1-NE 3.82Å; D15-R35 PolarHBondContact OD1-NE 3.44Å; D15-R35 IonicContact OD1-NH2 2.77Å; D15-R35 PolarHBondContact OD1-NH2 3.34Å; D15-R35 IonicContact OD2-CZ 2.69Å; D15-R35 IonicContact OD2-NE 3.72Å; D15-R35 PolarHBondContact OD2-NE 3.21Å; D15-R35 IonicContact OD2-NH2 2.91Å; D15-R35 PolarHBondContact OD2-NH2 3.08Å; L18-R35 HydrophobicContact CD2-CG 3.77Å; R35-A77 WeakPolarHBondContact CB-O 3.16Å; R35-A77 VanDerWaalsContact CD-O 3.3Å; R35-A77 WeakPolarHBondContact CD-O 3.5Å; R35-A77 HydrophobicContact CG-CB 3.89Å; R35-A77 PolarHBondContact O-N 3.38Å; R35-G78 PolarHBondContact NH1-O 3.39Å
36V98.8Very high97.3Very high0 Ų062.9 Ų62.90%035%0.347CS..EExtended strand (participates in β ladder)trans-134.2129.1-175.5174.50000108.8L30 L31 H34 L38 V75 I76 A92L30-V36 WeakPolarHBondContact CA-O 3.38Å; L31-V36 HydrophobicContact CB-CB 3.87Å; L31-V36 HydrophobicContact CB-CG1 4.06Å; L31-V36 HydrophobicContact CD2-CB 4.25Å; L31-V36 HydrophobicContact CD2-CG1 4.2Å; L31-V36 HydrophobicContact CD2-CG2 4.5Å; L31-V36 PolarHBondContact N-O 3.42Å; H34-V36 HydrophobicContact CB-CB 4.23Å; H34-V36 HydrophobicContact CB-CG2 3.84Å; H34-V36 PolarHBondContact O-N 3.44Å; V36-L38 HydrophobicContact CG1-CD2 3.69Å; V36-L38 HydrophobicContact CG1-CG 3.93Å; V36-V75 VanDerWaalsContact CA-O 3.29Å; V36-V75 WeakPolarHBondContact CA-O 3.46Å; V36-I76 HydrophobicContact CG1-CG1 4.44Å; V36-I76 HydrophobicContact CG2-CB 4.2Å; V36-I76 HydrophobicContact CG2-CG1 3.9Å; V36-I76 HydrophobicContact CG2-CG2 3.89Å; V36-A92 HydrophobicContact CG1-CB 3.86Å; V36-A92 HydrophobicContact CG2-CB 4.34Å
37A98.8Very high97.3Very high0 Ų059.8 Ų59.80%034%0.336CS..EExtended strand (participates in β ladder)trans-110.6135.7169.300000109.4L18 V22 Q29 L30 I67 G74 V75L18-A37 HydrophobicContact CD1-CB 3.75Å; L18-A37 HydrophobicContact CD2-CB 4.29Å; L18-A37 HydrophobicContact CG-CB 4.14Å; V22-A37 HydrophobicContact CG2-CB 4.07Å; Q29-A37 CarbonylContact O-C 3.42Å; Q29-A37 WeakPolarHBondContact O-CA 3.45Å; L30-A37 HydrophobicContact CD2-CB 4.47Å; A37-I67 HydrophobicContact CB-CD1 3.7Å; A37-I67 WeakPolarHBondContact O-CD1 3.45Å; A37-G74 CarbonylContact O-C 3.52Å; A37-G74 WeakPolarHBondContact O-CA 3.03Å; A37-V75 PolarHBondContact N-O 3.35Å; A37-V75 PolarHBondContact O-N 3.48Å
38L98.8Very high97.4Very high4 Ų458.8 Ų58.82%0.02132%0.324CS..EExtended strand (participates in β ladder)trans-126.1161-179.6-57176.7000109.1L28 Q29 L31 V36 L42 L52 A95 V96L28-L38 CarbonylContact C-O 3.51Å; L28-L38 VanDerWaalsContact CA-O 3.31Å; L28-L38 WeakPolarHBondContact CA-O 3.25Å; Q29-L38 HydrophobicContact CG-CB 4.27Å; Q29-L38 PolarHBondContact N-O 3.38Å; Q29-L38 PolarHBondContact O-N 2.9Å; L31-L38 HydrophobicContact CB-CD1 4.45Å; L31-L38 HydrophobicContact CD1-CD1 4.43Å; V36-L38 HydrophobicContact CG1-CD2 3.69Å; V36-L38 HydrophobicContact CG1-CG 3.93Å; L38-L42 HydrophobicContact CB-CD1 4.38Å; L38-L42 HydrophobicContact CB-CD2 4.32Å; L38-L42 HydrophobicContact CD1-CD1 3.88Å; L38-L52 HydrophobicContact CD2-CD2 4.26Å; L38-A95 HydrophobicContact CD1-CB 3.98Å; L38-V96 HydrophobicContact CD2-CG1 4.5Å
39R98.3Very high97.4Very high6 Ų658.1 Ų58.12%0.02332%0.321CS..EExtended strand (participates in β ladder)trans-57.7145.3162.4-6816959.2171-4.8110N27 Q29 D41 L42 S44 I67 T73 E169N27-R39 CarbonylContact O-C 3.51Å; N27-R39 WeakPolarHBondContact O-CA 3.32Å; Q29-R39 PolarHBondContact NE2-O 3.25Å; R39-D41 VanDerWaalsContact C-N 3.31Å; R39-D41 VanDerWaalsContact CB-OD1 3.25Å; R39-D41 WeakPolarHBondContact CB-OD1 3.21Å; R39-D41 IonicContact CZ-OD1 2.6Å; R39-D41 IonicContact CZ-OD2 2.86Å; R39-D41 IonicContact NE-OD1 3.11Å; R39-D41 PolarHBondContact NE-OD1 3.31Å; R39-D41 IonicContact NE-OD2 3.38Å; R39-D41 VanDerWaalsContact NH2-CG 3.32Å; R39-D41 IonicContact NH2-OD1 3.33Å; R39-D41 PolarHBondContact NH2-OD1 3.04Å; R39-D41 VanDerWaalsContact NH2-OD1 3.15Å; R39-D41 IonicContact NH2-OD2 2.65Å; R39-D41 PolarHBondContact NH2-OD2 3.22Å; R39-L42 HydrophobicContact CB-CD2 4.33Å; R39-L42 WeakPolarHBondContact O-CG 3.48Å; R39-S44 PolarHBondContact NH2-OG 3.48Å; R39-I67 HydrophobicContact CB-CG2 4.45Å; R39-I67 HydrophobicContact CG-CG2 3.56Å; R39-T73 PolarHBondContact N-O 3.07Å; R39-E169 IonicContact NH1-OE1 3.16Å; R39-E169 PolarHBondContact NH1-OE1 3.28Å; R39-E169 VanDerWaalsContact NH1-OE1 3.09Å
40S97.6Very high97.4Very high52 Ų5254.6 Ų54.636%0.36430%0.304SS..THydrogen-bonded Turntrans-75.4-22.8175.260.60000112.6P26 N27 L42P26-S40 PolarHBondContact O-OG 2.93Å; N27-S40 VanDerWaalsContact CA-OG 3.27Å; N27-S40 WeakPolarHBondContact CA-OG 3.4Å; N27-S40 PolarHBondContact O-N 3Å; N27-S40 PolarHBondContact O-OG 3.47Å; S40-L42 PolarHBondContact O-N 3.01Å
41D97.4Very high97.4Very high67 Ų6750.8 Ų50.836%0.35828%0.284SS..THydrogen-bonded Turntrans-93.637-177.470.8-20.9000114.1R39 D43 S44R39-D41 VanDerWaalsContact C-N 3.31Å; R39-D41 VanDerWaalsContact CB-OD1 3.25Å; R39-D41 WeakPolarHBondContact CB-OD1 3.21Å; R39-D41 IonicContact CZ-OD1 2.6Å; R39-D41 IonicContact CZ-OD2 2.86Å; R39-D41 IonicContact NE-OD1 3.11Å; R39-D41 PolarHBondContact NE-OD1 3.31Å; R39-D41 IonicContact NE-OD2 3.38Å; R39-D41 VanDerWaalsContact NH2-CG 3.32Å; R39-D41 IonicContact NH2-OD1 3.33Å; R39-D41 PolarHBondContact NH2-OD1 3.04Å; R39-D41 VanDerWaalsContact NH2-OD1 3.15Å; R39-D41 IonicContact NH2-OD2 2.65Å; R39-D41 PolarHBondContact NH2-OD2 3.22Å; D41-D43 PolarHBondContact O-N 3.03Å; D41-D43 VanDerWaalsContact O-N 3.09Å; D41-S44 VanDerWaalsContact O-CB 3.22Å; D41-S44 WeakPolarHBondContact O-CB 3.31Å; D41-S44 PolarHBondContact O-N 2.64Å; D41-S44 PolarHBondContact O-OG 3.04Å; D41-S44 PolarHBondContact OD2-OG 3.24Å
42L97.1Very high97.5Very high19 Ų1948.9 Ų48.910%0.09927%0.274CS..G310 helixtrans-53.7-35.6-174.3-66.8-176.9000114.2L38 R39 S40 S44 L45 T73 V96 A99L38-L42 HydrophobicContact CB-CD1 4.38Å; L38-L42 HydrophobicContact CB-CD2 4.32Å; L38-L42 HydrophobicContact CD1-CD1 3.88Å; R39-L42 HydrophobicContact CB-CD2 4.33Å; R39-L42 WeakPolarHBondContact O-CG 3.48Å; S40-L42 PolarHBondContact O-N 3.01Å; L42-S44 PolarHBondContact O-N 3.4Å; L42-S44 VanDerWaalsContact O-N 3.15Å; L42-L45 HydrophobicContact CD2-CD1 4.03Å; L42-L45 VanDerWaalsContact O-CB 3.22Å; L42-L45 WeakPolarHBondContact O-CB 3.46Å; L42-L45 WeakPolarHBondContact O-CG 3.47Å; L42-L45 PolarHBondContact O-N 2.97Å; L42-T73 HydrophobicContact CD2-CG2 3.74Å; L42-V96 HydrophobicContact CD2-CG1 4.37Å; L42-A99 HydrophobicContact CB-CB 3.73Å
43D94.9Very high97.6Very high136 Ų13640 Ų4073%0.72723%0.233SC*.G310 helixtrans-61.1-23.4177.8-65.3-28000112.9D41 L45 K46D41-D43 PolarHBondContact O-N 3.03Å; D41-D43 VanDerWaalsContact O-N 3.09Å; D43-L45 PolarHBondContact O-N 2.84Å; D43-K46 PolarHBondContact O-N 2.65Å
44S95.1Very high97.6Very high61 Ų6136.3 Ų36.343%0.42719%0.194SC..G310 helixtrans-68.2-11.9174.392.40000112.8R39 D41 L42 K46R39-S44 PolarHBondContact NH2-OG 3.48Å; D41-S44 VanDerWaalsContact O-CB 3.22Å; D41-S44 WeakPolarHBondContact O-CB 3.31Å; D41-S44 PolarHBondContact O-N 2.64Å; D41-S44 PolarHBondContact O-OG 3.04Å; D41-S44 PolarHBondContact OD2-OG 3.24Å; L42-S44 PolarHBondContact O-N 3.4Å; L42-S44 VanDerWaalsContact O-N 3.15Å; S44-K46 VanDerWaalsContact C-N 3.35Å
45L95Very high97.6Very high3 Ų333.2 Ų33.22%0.01618%0.181CC..G310 helixtrans-90.72.8-179.2-57176.8000113.1L42 D43 G47 R48 T73 T101L42-L45 HydrophobicContact CD2-CD1 4.03Å; L42-L45 VanDerWaalsContact O-CB 3.22Å; L42-L45 WeakPolarHBondContact O-CB 3.46Å; L42-L45 WeakPolarHBondContact O-CG 3.47Å; L42-L45 PolarHBondContact O-N 2.97Å; D43-L45 PolarHBondContact O-N 2.84Å; L45-G47 PolarHBondContact O-N 2.73Å; L45-R48 WeakPolarHBondContact O-CA 3.41Å; L45-R48 WeakPolarHBondContact O-CB 3.45Å; L45-R48 PolarHBondContact O-N 3.36Å; L45-T73 HydrophobicContact CD1-CG2 3.34Å; L45-T101 HydrophobicContact CB-CG2 3.73Å
46K97.1Very high97.6Very high165 Ų16531.3 Ų31.372%0.71718%0.175SC*.THydrogen-bonded Turntrans-53126.7175.8-172.6176-177.8176.10110.8D43 S44 R48 G100D43-K46 PolarHBondContact O-N 2.65Å; S44-K46 VanDerWaalsContact C-N 3.35Å; K46-R48 VanDerWaalsContact C-N 3.26Å; K46-R48 PolarHBondContact O-N 3.11Å; K46-G100 WeakPolarHBondContact CA-O 3.27Å
47G96.3Very high97.6Very high49 Ų4931.6 Ų31.651%0.50518%0.177SC..THydrogen-bonded Turntrans79.30.6-177.500000115.1L45 G100L45-G47 PolarHBondContact O-N 2.73Å; G47-G100 PolarHBondContact N-O 3.02Å
48R97.1Very high97.5Very high84 Ų8431.7 Ų31.732%0.31718%0.178SC..SBendtrans-112164.7179.6-58.2-176.8-176.7-122.2-20.3111.6L45 K46 T101 V102 E169L45-R48 WeakPolarHBondContact O-CA 3.41Å; L45-R48 WeakPolarHBondContact O-CB 3.45Å; L45-R48 PolarHBondContact O-N 3.36Å; K46-R48 VanDerWaalsContact C-N 3.26Å; K46-R48 PolarHBondContact O-N 3.11Å; R48-T101 CarbonylContact O-C 3.57Å; R48-T101 WeakPolarHBondContact O-CA 3.45Å; R48-T101 VanDerWaalsContact O-CB 3.31Å; R48-T101 WeakPolarHBondContact O-CB 3.49Å; R48-V102 WeakPolarHBondContact O-CG2 3.3Å; R48-V102 PolarHBondContact O-N 3.23Å; R48-E169 IonicContact CZ-OE2 3.54Å; R48-E169 PolarHBondContact NH1-O 3.26Å; R48-E169 IonicContact NH1-OE2 2.75Å; R48-E169 PolarHBondContact NH1-OE2 3.5Å
49V98.8Very high97.4Very high3 Ų331.5 Ų31.52%0.01818%0.177CC..EExtended strand (participates in β ladder)trans-81.3131.1173.1175.70000109.5L51 V102 G103 L105 A168 L174 I177V49-L51 HydrophobicContact CG1-CD2 4.11Å; V49-V102 HydrophobicContact CG2-CG2 4.17Å; V49-G103 WeakPolarHBondContact CA-O 3.46Å; V49-L105 HydrophobicContact CG1-CB 4.38Å; V49-A168 HydrophobicContact CB-CB 4.48Å; V49-L174 HydrophobicContact CG1-CD1 3.76Å; V49-L174 HydrophobicContact CG2-CB 4.01Å; V49-I177 HydrophobicContact CB-CD1 4.07Å; V49-I177 HydrophobicContact CG1-CD1 4.24Å; V49-I177 HydrophobicContact CG2-CD1 4.14Å
50A98.8Very high97.4Very high0 Ų035 Ų350%019%0.194CC..EExtended strand (participates in β ladder)trans-84.7144.3169.500000111.4T73 V96 T101 G103 T104 L105A50-T73 WeakPolarHBondContact CA-OG1 3.31Å; A50-T73 HydrophobicContact CB-CG2 4.18Å; A50-V96 HydrophobicContact CB-CB 3.78Å; A50-V96 HydrophobicContact CB-CG1 4.26Å; A50-V96 HydrophobicContact CB-CG2 3.71Å; A50-T101 HydrophobicContact CB-CG2 3.83Å; A50-G103 PolarHBondContact N-O 2.92Å; A50-T104 CarbonylContact O-C 3.5Å; A50-T104 WeakPolarHBondContact O-CA 3.36Å; A50-L105 PolarHBondContact O-N 2.93Å
51L98.9Very high97.4Very high1 Ų134.1 Ų34.11%0.00519%0.187CC..EExtended strand (participates in β ladder)trans-117.3113.9178.8-56.3-178000109.9V49 M71 L72 T73 G74 L105 A164 G165 A168V49-L51 HydrophobicContact CG1-CD2 4.11Å; L51-M71 WeakPolarHBondContact CD1-O 3.12Å; L51-L72 HydrophobicContact CB-CD2 4.19Å; L51-T73 PolarHBondContact N-OG1 3.2Å; L51-T73 WeakPolarHBondContact O-CA 3.27Å; L51-T73 VanDerWaalsContact O-CB 3.28Å; L51-T73 WeakPolarHBondContact O-CB 3.42Å; L51-T73 PolarHBondContact O-N 3.44Å; L51-G74 PolarHBondContact O-N 2.77Å; L51-L105 HydrophobicContact CD2-CB 3.72Å; L51-L105 HydrophobicContact CD2-CD2 4.05Å; L51-L105 HydrophobicContact CD2-CG 4.35Å; L51-A164 HydrophobicContact CD1-CB 3.76Å; L51-A164 HydrophobicContact CD2-CB 4.24Å; L51-G165 VanDerWaalsContact CD1-N 3.26Å; L51-A168 HydrophobicContact CD1-CB 4.03Å; L51-A168 HydrophobicContact CD2-CB 4.47Å; L51-A168 HydrophobicContact CG-CB 4.23Å
52L98.9Very high97.5Very high0 Ų031.1 Ų31.10%017%0.171CC..EExtended strand (participates in β ladder)trans-113.8138.5176.6-61.9179.7000110.2L38 G74 I76 A92 I93 V96 T104 L105 L106 I107L38-L52 HydrophobicContact CD2-CD2 4.26Å; L52-G74 WeakPolarHBondContact CA-O 3.46Å; L52-I76 HydrophobicContact CB-CD1 3.98Å; L52-I76 HydrophobicContact CD1-CD1 4.33Å; L52-A92 HydrophobicContact CD1-CB 3.92Å; L52-I93 HydrophobicContact CD1-CG1 3.93Å; L52-V96 HydrophobicContact CD1-CG2 4.18Å; L52-V96 HydrophobicContact CD2-CG1 4.16Å; L52-T104 HydrophobicContact CB-CG2 4.33Å; L52-T104 HydrophobicContact CD1-CG2 3.77Å; L52-T104 HydrophobicContact CG-CG2 3.9Å; L52-L105 PolarHBondContact N-O 3.32Å; L52-L106 HydrophobicContact CB-CD2 3.92Å; L52-L106 HydrophobicContact CD1-CD2 4.38Å; L52-L106 CarbonylContact O-C 3.42Å; L52-L106 WeakPolarHBondContact O-CA 3.22Å; L52-I107 PolarHBondContact O-N 3.5Å
53S98.9Very high97.5Very high0 Ų030.6 Ų30.60%017%0.168CC..EExtended strand (participates in β ladder)trans-134.2177.3173.8-171.40000109.8H63 G74 V75 I76 I107 H161S53-H63 PolarHBondContact OG-CE1 3.33Å; S53-H63 PolarHBondContact OG-ND1 2.74Å; S53-G74 PolarHBondContact N-O 3.03Å; S53-V75 WeakPolarHBondContact O-CA 3.37Å; S53-I76 WeakPolarHBondContact O-CD1 3.34Å; S53-I76 PolarHBondContact O-N 2.9Å; S53-I107 WeakPolarHBondContact CA-O 3.38Å; S53-I107 PolarHBondContact OG-O 3.2Å; S53-I107 VanDerWaalsContact OG-O 3.09Å; S53-H161 PolarHBondContact OG-NE2 3.08Å; S53-H161 VanDerWaalsContact OG-NE2 3.1Å
54G98Very high97.7Very high1 Ų124.6 Ų24.61%0.0114%0.137CC..EExtended strand (participates in β ladder)trans167.1-157.9174.200000114.4H63 I76 K109G54-H63 PolarHBondContact O-NE2 3.07Å; G54-I76 WeakPolarHBondContact CA-O 3.47Å; G54-K109 PolarHBondContact O-NZ 3.19Å
55G97.9Very high97.9Very high2 Ų221.9 Ų21.92%0.02112%0.119CC..EExtended strand (participates in β ladder)trans135.8-165.8-175.900000111I76 G78 P84G55-I76 PolarHBondContact N-O 3.32Å; G55-G78 PolarHBondContact O-N 3.46Å; G55-P84 VanDerWaalsContact CA-CD 3.5Å
56G97.4Very high98Very high5 Ų521.7 Ų21.75%0.05212%0.118CC..EExtended strand (participates in β ladder)trans-60.5147.1173.300000113.2H59 A79 T82G56-H59 PolarHBondContact O-CD2 3.24Å; G56-H59 VanDerWaalsContact O-CD2 3.28Å; G56-A79 CarbonylContact C-O 3.52Å; G56-A79 WeakPolarHBondContact CA-O 3.2Å; G56-T82 WeakPolarHBondContact CA-O 3.44Å; G56-T82 PolarHBondContact N-O 2.88Å
57S97.9Very high98.1Very high6 Ų614.1 Ų14.14%0.0429%0.085CC..EExtended strand (participates in β ladder)trans-72169.1168.9-72.40000111.6A14 G78 A79 V80 F81A14-S57 WeakPolarHBondContact CB-OG 3.36Å; S57-G78 PolarHBondContact OG-O 2.87Å; S57-G78 VanDerWaalsContact OG-O 3.14Å; S57-A79 PolarHBondContact N-O 2.91Å; S57-V80 WeakPolarHBondContact O-CA 2.92Å; S57-F81 WeakPolarHBondContact O-CD1 3.41Å; S57-F81 PolarHBondContact O-N 3.43Å
58G96.4Very high98.2Very high2 Ų212 Ų122%0.0216%0.063CC..SBendtrans98.811.8-17800000114.1E60 L307G58-E60 VanDerWaalsContact C-OE2 3.27Å; G58-E60 WeakPolarHBondContact CA-OE2 3.26Å; G58-E60 PolarHBondContact N-OE1 3.04Å; G58-E60 VanDerWaalsContact N-OE1 3.13Å; G58-E60 PolarHBondContact N-OE2 2.73Å; G58-L307 PolarHBondContact O-N 2.96Å
59H98.2Very high98.3Very high0 Ų013.3 Ų13.30%07%0.071CC..SBendtrans-117.813.6176.3-53-59.3000112.9G56 A62 F81 I220 H221 M304 S305G56-H59 PolarHBondContact O-CD2 3.24Å; G56-H59 VanDerWaalsContact O-CD2 3.28Å; H59-A62 CarbonylContact C-O 3.58Å; H59-A62 VanDerWaalsContact C-O 3.25Å; H59-A62 HydrophobicContact CB-CB 4.29Å; H59-A62 WeakPolarHBondContact O-CA 3.29Å; H59-A62 WeakPolarHBondContact O-CB 3.48Å; H59-A62 PolarHBondContact O-N 2.76Å; H59-F81 AromaticContact CE1-CD1 3.51Å; H59-F81 AromaticContact CE1-CE1 3.28Å; H59-F81 WeakPolarHBondContact CE1-CE1 3.24Å; H59-F81 AromaticContact ND1-CE1 3.93Å; H59-F81 AromaticContact NE2-CD1 3.54Å; H59-F81 AromaticContact NE2-CE1 3.78Å; H59-I220 PolarHBondContact CE1-O 2.84Å; H59-H221 AromaticContact CE1-CD2 3.39Å; H59-H221 PolarHBondContact CE1-CD2 3.33Å; H59-H221 AromaticContact CE1-NE2 3.78Å; H59-H221 AromaticContact NE2-CD2 3.13Å; H59-H221 PolarHBondContact NE2-CD2 3.23Å; H59-H221 AromaticContact NE2-NE2 3.19Å; H59-H221 PolarHBondContact NE2-NE2 3.09Å; H59-H221 VanDerWaalsContact NE2-NE2 3.19Å; H59-M304 HydrophobicContact CB-CG 4.09Å; H59-S305 VanDerWaalsContact CA-O 3.32Å; H59-S305 WeakPolarHBondContact CA-O 3.48Å; H59-S305 WeakPolarHBondContact CA-OG 3.47Å; H59-S305 WeakPolarHBondContact CB-O 3.46Å; H59-S305 PolarHBondContact ND1-O 3.15Å; H59-S305 PolarHBondContact O-N 3Å; H59-S305 VanDerWaalsContact O-N 3.14Å; H59-S305 PolarHBondContact O-OG 2.86Å
60E98.1Very high98.2Very high80 Ų8013.3 Ų13.337%0.3747%0.072SC..THydrogen-bonded Turntrans-53.6135.5-175.3-66.872.4-15700110.4G58 A62 S305G58-E60 VanDerWaalsContact C-OE2 3.27Å; G58-E60 WeakPolarHBondContact CA-OE2 3.26Å; G58-E60 PolarHBondContact N-OE1 3.04Å; G58-E60 VanDerWaalsContact N-OE1 3.13Å; G58-E60 PolarHBondContact N-OE2 2.73Å; E60-A62 PolarHBondContact N-O 3.01Å; E60-S305 PolarHBondContact N-OG 2.89Å; E60-S305 WeakPolarHBondContact O-CB 3.26Å; E60-S305 PolarHBondContact O-OG 2.65Å
61P98.1Very high98.2Very high32 Ų3213.4 Ų13.421%0.2087%0.073CC..THydrogen-bonded Turncis-78.8-813.131.5-34.9000115.5H63 A64 G65 F66 T302 A335P61-H63 CarbonylContact O-C 3.54Å; P61-H63 VanDerWaalsContact O-C 3.26Å; P61-H63 PolarHBondContact O-N 3.05Å; P61-A64 PolarHBondContact O-N 2.68Å; P61-G65 PolarHBondContact O-N 3Å; P61-F66 HydrophobicContact CB-CE2 4.48Å; P61-F66 HydrophobicContact CG-CE2 4.28Å; P61-F66 HydrophobicContact CG-CZ 4.06Å; P61-T302 WeakPolarHBondContact CD-O 3.24Å; P61-T302 VanDerWaalsContact CG-O 3.28Å; P61-T302 WeakPolarHBondContact CG-O 3.34Å; P61-A335 HydrophobicContact CB-CB 3.42Å; P61-A335 VanDerWaalsContact CB-CB 3.42Å; P61-A335 HydrophobicContact CG-CB 3.78Å
62A98.1Very high98.2Very high4 Ų413.4 Ų13.43%0.0337%0.072CC..THydrogen-bonded Turntrans-68.7128.9174.900000111.2H59 E60 F66 F303 M304H59-A62 CarbonylContact C-O 3.58Å; H59-A62 VanDerWaalsContact C-O 3.25Å; H59-A62 HydrophobicContact CB-CB 4.29Å; H59-A62 WeakPolarHBondContact O-CA 3.29Å; H59-A62 WeakPolarHBondContact O-CB 3.48Å; H59-A62 PolarHBondContact O-N 2.76Å; E60-A62 PolarHBondContact N-O 3.01Å; A62-F66 HydrophobicContact CB-CE2 4.07Å; A62-F303 WeakPolarHBondContact CB-O 3.48Å; A62-F303 PolarHBondContact N-O 3.08Å; A62-M304 HydrophobicContact CB-CB 3.96Å; A62-M304 HydrophobicContact CB-CE 3.99Å; A62-M304 HydrophobicContact CB-CG 3.92Å
63H98.4Very high98.2Very high8 Ų813.6 Ų13.64%0.0377%0.074CC..THydrogen-bonded Turncis-99.6-21.1-0.3-62.3-95.6000112.5S53 G54 P61 G65 F66 L72 V75 K109 H161S53-H63 PolarHBondContact OG-CE1 3.33Å; S53-H63 PolarHBondContact OG-ND1 2.74Å; G54-H63 PolarHBondContact O-NE2 3.07Å; P61-H63 CarbonylContact O-C 3.54Å; P61-H63 VanDerWaalsContact O-C 3.26Å; P61-H63 PolarHBondContact O-N 3.05Å; H63-G65 VanDerWaalsContact C-N 3.34Å; H63-G65 PolarHBondContact O-N 2.94Å; H63-F66 WeakPolarHBondContact O-CB 3.47Å; H63-F66 PolarHBondContact O-N 3.02Å; H63-L72 HydrophobicContact CB-CD1 4.16Å; H63-V75 HydrophobicContact CB-CB 4.29Å; H63-V75 HydrophobicContact CB-CG1 3.75Å; H63-V75 HydrophobicContact CB-CG2 3.48Å; H63-V75 VanDerWaalsContact CB-CG2 3.48Å; H63-K109 PolarHBondContact NE2-NZ 3.43Å; H63-H161 AromaticContact CE1-CE1 3.83Å; H63-H161 AromaticContact ND1-CE1 3.06Å; H63-H161 PolarHBondContact ND1-CE1 2.92Å; H63-H161 AromaticContact ND1-NE2 3.42Å; H63-H161 PolarHBondContact ND1-NE2 3.27Å
64A98.4Very high98.2Very high10 Ų1013.6 Ų13.68%0.0837%0.074CC..G310 helixtrans-68.5-27.6-162.100000114.1L18 L21 P61 F66 I67 V75L18-A64 HydrophobicContact CD1-CB 3.84Å; L21-A64 HydrophobicContact CD2-CB 3.29Å; P61-A64 PolarHBondContact O-N 2.68Å; A64-F66 PolarHBondContact O-N 3.1Å; A64-F66 VanDerWaalsContact O-N 3.17Å; A64-I67 HydrophobicContact CB-CD1 4.22Å; A64-I67 WeakPolarHBondContact O-CD1 3.37Å; A64-I67 VanDerWaalsContact O-CG1 3.29Å; A64-I67 WeakPolarHBondContact O-CG1 3.36Å; A64-I67 PolarHBondContact O-N 2.99Å; A64-V75 HydrophobicContact CB-CB 4.31Å; A64-V75 HydrophobicContact CB-CG1 4.23Å
65G98.3Very high98.2Very high4 Ų413.7 Ų13.74%0.0417%0.074CC..G310 helixtrans-66.4-12.1172.200000114P61 H63 V334 A335P61-G65 PolarHBondContact O-N 3Å; H63-G65 VanDerWaalsContact C-N 3.34Å; H63-G65 PolarHBondContact O-N 2.94Å; G65-V334 PolarHBondContact O-N 3.06Å; G65-A335 VanDerWaalsContact O-CB 3.32Å; G65-A335 WeakPolarHBondContact O-CB 3.45Å; G65-A335 PolarHBondContact O-N 3.38Å
66F98.8Very high98.3Very high0 Ų013.6 Ų13.60%07%0.073CC..G310 helixtrans-99.411.9178-55.6-66.5000113.9P61 A62 H63 A64 M71 L72 V158 F303 A335P61-F66 HydrophobicContact CB-CE2 4.48Å; P61-F66 HydrophobicContact CG-CE2 4.28Å; P61-F66 HydrophobicContact CG-CZ 4.06Å; A62-F66 HydrophobicContact CB-CE2 4.07Å; H63-F66 WeakPolarHBondContact O-CB 3.47Å; H63-F66 PolarHBondContact O-N 3.02Å; A64-F66 PolarHBondContact O-N 3.1Å; A64-F66 VanDerWaalsContact O-N 3.17Å; F66-M71 HydrophobicContact CB-CE 3.87Å; F66-M71 HydrophobicContact CB-SD 4.4Å; F66-M71 HydrophobicContact CD1-CE 3.65Å; F66-M71 HydrophobicContact CD1-SD 4.13Å; F66-M71 HydrophobicContact CG-CE 4Å; F66-M71 WeakPolarHBondContact O-CB 3.27Å; F66-L72 HydrophobicContact CB-CD1 4.21Å; F66-L72 WeakPolarHBondContact O-CB 3.16Å; F66-L72 PolarHBondContact O-N 3.12Å; F66-V158 HydrophobicContact CD1-CG1 3.94Å; F66-V158 HydrophobicContact CD2-CG1 4.2Å; F66-V158 HydrophobicContact CD2-CG2 4.25Å; F66-V158 HydrophobicContact CE1-CG1 3.49Å; F66-V158 VanDerWaalsContact CE1-CG1 3.49Å; F66-V158 HydrophobicContact CE2-CB 4.39Å; F66-V158 HydrophobicContact CE2-CG1 3.79Å; F66-V158 HydrophobicContact CE2-CG2 3.64Å; F66-V158 HydrophobicContact CG-CG1 4.27Å; F66-V158 HydrophobicContact CZ-CB 4.36Å; F66-V158 HydrophobicContact CZ-CG1 3.42Å; F66-V158 VanDerWaalsContact CZ-CG1 3.42Å; F66-V158 HydrophobicContact CZ-CG2 3.95Å; F66-F303 VanDerWaalsContact CE2-O 3.26Å; F66-F303 WeakPolarHBondContact CE2-O 3.41Å; F66-F303 HydrophobicContact CZ-CB 4.25Å; F66-F303 WeakPolarHBondContact CZ-O 3.41Å; F66-A335 HydrophobicContact CD1-CB 4.05Å; F66-A335 HydrophobicContact CE1-CB 3.68Å; F66-A335 WeakPolarHBondContact CE1-O 3.18Å; F66-A335 HydrophobicContact CZ-CB 4.01Å
67I98.9Very high98.3Very high5 Ų514 Ų143%0.0268%0.076CC..BIsolated β-bridgetrans-76.4128.3171-57.2165.5000109.2L28 A37 R39 A64 L72 V75L28-I67 HydrophobicContact CD2-CB 3.68Å; L28-I67 HydrophobicContact CD2-CD1 4.49Å; L28-I67 HydrophobicContact CD2-CG2 3.35Å; A37-I67 HydrophobicContact CB-CD1 3.7Å; A37-I67 WeakPolarHBondContact O-CD1 3.45Å; R39-I67 HydrophobicContact CB-CG2 4.45Å; R39-I67 HydrophobicContact CG-CG2 3.56Å; A64-I67 HydrophobicContact CB-CD1 4.22Å; A64-I67 WeakPolarHBondContact O-CD1 3.37Å; A64-I67 VanDerWaalsContact O-CG1 3.29Å; A64-I67 WeakPolarHBondContact O-CG1 3.36Å; A64-I67 PolarHBondContact O-N 2.99Å; I67-L72 WeakPolarHBondContact CA-O 3.25Å; I67-L72 HydrophobicContact CG1-CB 4.48Å; I67-V75 HydrophobicContact CD1-CB 4.05Å; I67-V75 HydrophobicContact CD1-CG2 4.03Å; I67-V75 HydrophobicContact CG1-CB 4.36Å; I67-V75 HydrophobicContact CG1-CG2 3.78Å
68G98.3Very high98.3Very high4 Ų413.9 Ų13.94%0.0418%0.076CC..SBendtrans161.3167.6178.700000113.1G70 M71 L72 T332G68-G70 PolarHBondContact O-N 2.76Å; G68-M71 CarbonylContact O-C 3.47Å; G68-M71 PolarHBondContact O-N 3.42Å; G68-M71 VanDerWaalsContact O-N 3.08Å; G68-L72 PolarHBondContact N-O 3.06Å; G68-T332 WeakPolarHBondContact CA-OG1 3.44Å
69K97.9Very high98.3Very high112 Ų11216 Ų1649%0.4879%0.093SC..THydrogen-bonded Turntrans-54.8131.6170.7-171.4-174.5178.2-178.90109.3M71 E169 T331 T332K69-M71 VanDerWaalsContact C-N 3.31Å; K69-E169 VanDerWaalsContact CG-CD 3.49Å; K69-E169 HydrophobicContact CG-CG 4.18Å; K69-E169 VanDerWaalsContact CG-OE1 3.3Å; K69-E169 WeakPolarHBondContact CG-OE1 3.13Å; K69-T331 CarbonylContact O-C 3.56Å; K69-T331 WeakPolarHBondContact O-CA 3.46Å; K69-T331 WeakPolarHBondContact O-CB 3.43Å; K69-T331 PolarHBondContact O-OG1 2.8Å; K69-T332 HydrophobicContact CB-CG2 4Å; K69-T332 PolarHBondContact N-OG1 3.2Å; K69-T332 PolarHBondContact O-N 3.1Å
70G97.8Very high98.2Very high3 Ų317.1 Ų17.13%0.03110%0.1CC..THydrogen-bonded Turntrans81.43-178.600000115.4G68 G165 A166 E169G68-G70 PolarHBondContact O-N 2.76Å; G70-G165 CarbonylContact O-C 3.48Å; G70-G165 WeakPolarHBondContact O-CA 3.39Å; G70-A166 PolarHBondContact O-N 3.29Å; G70-E169 VanDerWaalsContact CA-CG 3.46Å; G70-E169 VanDerWaalsContact N-CG 3.26Å; G70-E169 PolarHBondContact N-OE1 2.86Å
71M98.6Very high98.1Very high3 Ų315 Ų152%0.0159%0.089CC..SBendtrans-141.5-132.6170.5-68.4-170.781.700110.4L51 F66 G68 K69 V158 H161 K162 T331 A333 W336L51-M71 WeakPolarHBondContact CD1-O 3.12Å; F66-M71 HydrophobicContact CB-CE 3.87Å; F66-M71 HydrophobicContact CB-SD 4.4Å; F66-M71 HydrophobicContact CD1-CE 3.65Å; F66-M71 HydrophobicContact CD1-SD 4.13Å; F66-M71 HydrophobicContact CG-CE 4Å; F66-M71 WeakPolarHBondContact O-CB 3.27Å; G68-M71 CarbonylContact O-C 3.47Å; G68-M71 PolarHBondContact O-N 3.42Å; G68-M71 VanDerWaalsContact O-N 3.08Å; K69-M71 VanDerWaalsContact C-N 3.31Å; M71-V158 HydrophobicContact CE-CG1 4.43Å; M71-H161 HydrophobicContact CE-CB 3.74Å; M71-K162 HydrophobicContact CE-CB 4.08Å; M71-K162 HydrophobicContact CG-CD 4.04Å; M71-K162 HydrophobicContact SD-CD 4.24Å; M71-T331 HydrophobicContact CG-CG2 4.34Å; M71-T331 WeakPolarHBondContact CG-OG1 3.39Å; M71-T331 HydrophobicContact SD-CG2 4.1Å; M71-A333 HydrophobicContact CB-CB 4.12Å; M71-A333 HydrophobicContact CG-CB 4.18Å; M71-A333 HydrophobicContact SD-CB 3.56Å; M71-A333 VanDerWaalsContact SD-CB 3.56Å; M71-W336 HydrophobicContact CE-CD2 4.41Å; M71-W336 HydrophobicContact CE-CE3 3.66Å; M71-W336 HydrophobicContact CE-CZ3 4.15Å; M71-W336 HydrophobicContact SD-CB 3.83Å; M71-W336 HydrophobicContact SD-CD2 4.02Å; M71-W336 HydrophobicContact SD-CE3 3.87Å; M71-W336 HydrophobicContact SD-CG 4.03Å
72L98.9Very high98Very high0 Ų017.3 Ų17.30%010%0.103CC..BIsolated β-bridgetrans-74.4143.7-173.4-64.9173.8000112.3L51 H63 F66 I67 G68 V75 I107 H161L51-L72 HydrophobicContact CB-CD2 4.19Å; H63-L72 HydrophobicContact CB-CD1 4.16Å; F66-L72 HydrophobicContact CB-CD1 4.21Å; F66-L72 WeakPolarHBondContact O-CB 3.16Å; F66-L72 PolarHBondContact O-N 3.12Å; I67-L72 WeakPolarHBondContact CA-O 3.25Å; I67-L72 HydrophobicContact CG1-CB 4.48Å; G68-L72 PolarHBondContact N-O 3.06Å; L72-V75 HydrophobicContact CD1-CG2 3.67Å; L72-I107 HydrophobicContact CD2-CD1 4.22Å; L72-H161 HydrophobicContact CD2-CB 4.24Å; L72-H161 HydrophobicContact CG-CB 4.14Å
73T98.9Very high97.9Very high4 Ų418.1 Ų18.13%0.02511%0.108CC..SBendtrans-74.1-36.3166.6-58.70000111.3R39 L42 L45 A50 L51 V96R39-T73 PolarHBondContact N-O 3.07Å; L42-T73 HydrophobicContact CD2-CG2 3.74Å; L45-T73 HydrophobicContact CD1-CG2 3.34Å; A50-T73 WeakPolarHBondContact CA-OG1 3.31Å; A50-T73 HydrophobicContact CB-CG2 4.18Å; L51-T73 PolarHBondContact N-OG1 3.2Å; L51-T73 WeakPolarHBondContact O-CA 3.27Å; L51-T73 VanDerWaalsContact O-CB 3.28Å; L51-T73 WeakPolarHBondContact O-CB 3.42Å; L51-T73 PolarHBondContact O-N 3.44Å; T73-V96 HydrophobicContact CG2-CG1 3.64Å
74G98.8Very high97.9Very high0 Ų017.9 Ų17.90%011%0.107CC..EExtended strand (participates in β ladder)trans-171.4165-175.800000113.6A37 L51 L52 S53A37-G74 CarbonylContact O-C 3.52Å; A37-G74 WeakPolarHBondContact O-CA 3.03Å; L51-G74 PolarHBondContact O-N 2.77Å; L52-G74 WeakPolarHBondContact CA-O 3.46Å; S53-G74 PolarHBondContact N-O 3.03Å
75V98.8Very high97.9Very high4 Ų420.4 Ų20.42%0.02413%0.129CC..EExtended strand (participates in β ladder)trans-132.9135.8-177.6169.20000110.7V36 A37 S53 H63 A64 I67 L72V36-V75 VanDerWaalsContact CA-O 3.29Å; V36-V75 WeakPolarHBondContact CA-O 3.46Å; A37-V75 PolarHBondContact N-O 3.35Å; A37-V75 PolarHBondContact O-N 3.48Å; S53-V75 WeakPolarHBondContact O-CA 3.37Å; H63-V75 HydrophobicContact CB-CB 4.29Å; H63-V75 HydrophobicContact CB-CG1 3.75Å; H63-V75 HydrophobicContact CB-CG2 3.48Å; H63-V75 VanDerWaalsContact CB-CG2 3.48Å; A64-V75 HydrophobicContact CB-CB 4.31Å; A64-V75 HydrophobicContact CB-CG1 4.23Å; I67-V75 HydrophobicContact CD1-CB 4.05Å; I67-V75 HydrophobicContact CD1-CG2 4.03Å; I67-V75 HydrophobicContact CG1-CB 4.36Å; I67-V75 HydrophobicContact CG1-CG2 3.78Å; L72-V75 HydrophobicContact CD1-CG2 3.67Å
76I98.8Very high97.9Very high0 Ų021.5 Ų21.50%013%0.134CC..EExtended strand (participates in β ladder)trans-106.1105.9173.8-52.491.6000108.3V36 L52 S53 G54 G55 P84 I89 A92 F118V36-I76 HydrophobicContact CG1-CG1 4.44Å; V36-I76 HydrophobicContact CG2-CB 4.2Å; V36-I76 HydrophobicContact CG2-CG1 3.9Å; V36-I76 HydrophobicContact CG2-CG2 3.89Å; L52-I76 HydrophobicContact CB-CD1 3.98Å; L52-I76 HydrophobicContact CD1-CD1 4.33Å; S53-I76 WeakPolarHBondContact O-CD1 3.34Å; S53-I76 PolarHBondContact O-N 2.9Å; G54-I76 WeakPolarHBondContact CA-O 3.47Å; G55-I76 PolarHBondContact N-O 3.32Å; I76-P84 HydrophobicContact CB-CG 4.39Å; I76-P84 HydrophobicContact CG2-CB 3.54Å; I76-P84 HydrophobicContact CG2-CG 3.86Å; I76-I89 HydrophobicContact CB-CG1 4.43Å; I76-I89 HydrophobicContact CG2-CG1 3.88Å; I76-A92 HydrophobicContact CD1-CB 3.88Å; I76-A92 HydrophobicContact CG1-CB 3.65Å; I76-F118 HydrophobicContact CB-CZ 4.46Å; I76-F118 HydrophobicContact CD1-CE1 4.27Å
77A98.4Very high97.9Very high13 Ų1323.6 Ų23.611%0.10716%0.156CC..EExtended strand (participates in β ladder)trans-92.4133-179.600000110.7R35R35-A77 WeakPolarHBondContact CB-O 3.16Å; R35-A77 VanDerWaalsContact CD-O 3.3Å; R35-A77 WeakPolarHBondContact CD-O 3.5Å; R35-A77 HydrophobicContact CG-CB 3.89Å; R35-A77 PolarHBondContact O-N 3.38Å
78G97.9Very high97.9Very high4 Ų424.4 Ų24.44%0.04116%0.162CC..EExtended strand (participates in β ladder)trans-92.8-170.8169.600000111.3R35 G55 S57 T82R35-G78 PolarHBondContact NH1-O 3.39Å; G55-G78 PolarHBondContact O-N 3.46Å; S57-G78 PolarHBondContact OG-O 2.87Å; S57-G78 VanDerWaalsContact OG-O 3.14Å; G78-T82 CarbonylContact C-O 3.51Å; G78-T82 VanDerWaalsContact CA-O 3.31Å; G78-T82 WeakPolarHBondContact CA-O 3.36Å
79A96.6Very high97.9Very high45 Ų4524.2 Ų24.237%0.37216%0.16SC..EExtended strand (participates in β ladder)trans-68.2171.9171.600000110.5G56 S57 F81 T82G56-A79 CarbonylContact C-O 3.52Å; G56-A79 WeakPolarHBondContact CA-O 3.2Å; S57-A79 PolarHBondContact N-O 2.91Å; A79-F81 PolarHBondContact O-N 3.48Å; A79-F81 VanDerWaalsContact O-N 3.08Å; A79-T82 PolarHBondContact N-O 3.49Å; A79-T82 PolarHBondContact O-N 3Å
80V95.9Very high97.9Very high24 Ų2419.4 Ų19.415%0.14514%0.139CC..EExtended strand (participates in β ladder)trans-54.5122.2178.7-178.40000109.3S57 T82 V200 L307S57-V80 WeakPolarHBondContact O-CA 2.92Å; V80-T82 PolarHBondContact O-N 2.93Å; V80-T82 PolarHBondContact O-OG1 3.43Å; V80-V200 HydrophobicContact CB-CG1 4.37Å; V80-V200 HydrophobicContact CG1-CG1 4.01Å; V80-V200 HydrophobicContact CG1-CG2 4.42Å; V80-L307 HydrophobicContact CG1-CD1 4.18Å; V80-L307 HydrophobicContact CG1-CD2 4.35Å
81F95.1Very high98Very high36 Ų3620 Ų2016%0.15814%0.144CC..THydrogen-bonded Turntrans54.122.1-177.2-58.4-14.8000116S57 H59 A79 V200 H221 L307S57-F81 WeakPolarHBondContact O-CD1 3.41Å; S57-F81 PolarHBondContact O-N 3.43Å; H59-F81 AromaticContact CE1-CD1 3.51Å; H59-F81 AromaticContact CE1-CE1 3.28Å; H59-F81 WeakPolarHBondContact CE1-CE1 3.24Å; H59-F81 AromaticContact ND1-CE1 3.93Å; H59-F81 AromaticContact NE2-CD1 3.54Å; H59-F81 AromaticContact NE2-CE1 3.78Å; A79-F81 PolarHBondContact O-N 3.48Å; A79-F81 VanDerWaalsContact O-N 3.08Å; F81-V200 HydrophobicContact CD2-CG2 3.64Å; F81-V200 HydrophobicContact CE2-CG2 3.85Å; F81-H221 HydrophobicContact CB-CB 4.17Å; F81-H221 HydrophobicContact CD1-CB 4.46Å; F81-H221 AromaticContact CD1-CD2 3.6Å; F81-H221 HydrophobicContact CD2-CB 3.92Å; F81-H221 HydrophobicContact CE2-CB 4.38Å; F81-H221 HydrophobicContact CG-CB 3.96Å; F81-H221 AromaticContact CG-CD2 3.71Å; F81-L307 HydrophobicContact CE1-CD1 4.25Å; F81-L307 HydrophobicContact CE1-CG 4.08Å; F81-L307 HydrophobicContact CE2-CD1 3.93Å; F81-L307 HydrophobicContact CZ-CD1 3.6Å; F81-L307 HydrophobicContact CZ-CG 3.73Å
82T96.1Very high98Very high80 Ų8019.9 Ų19.949%0.49114%0.144SC..SBendtrans-125.5127.8-179-550000110.9G56 G78 A79 V80G56-T82 WeakPolarHBondContact CA-O 3.44Å; G56-T82 PolarHBondContact N-O 2.88Å; G78-T82 CarbonylContact C-O 3.51Å; G78-T82 VanDerWaalsContact CA-O 3.31Å; G78-T82 WeakPolarHBondContact CA-O 3.36Å; A79-T82 PolarHBondContact N-O 3.49Å; A79-T82 PolarHBondContact O-N 3Å; V80-T82 PolarHBondContact O-N 2.93Å; V80-T82 PolarHBondContact O-OG1 3.43Å
83S97.3Very high98Very high22 Ų2219.9 Ų19.915%0.15414%0.144CC..PPolyproline II helixtrans-52141.4177.3177.60000112.5G113 D114 N117S83-G113 VanDerWaalsContact CB-C 3.45Å; S83-G113 WeakPolarHBondContact CB-O 3.24Å; S83-G113 VanDerWaalsContact OG-C 3.27Å; S83-G113 PolarHBondContact OG-O 2.9Å; S83-D114 VanDerWaalsContact CB-OD1 3.23Å; S83-D114 WeakPolarHBondContact CB-OD1 3.2Å; S83-D114 WeakPolarHBondContact OG-CA 3.36Å; S83-D114 PolarHBondContact OG-OD1 2.87Å; S83-N117 PolarHBondContact OG-ND2 3.42Å; S83-N117 VanDerWaalsContact OG-ND2 3.08Å
84P97.8Very high98Very high2 Ų224.3 Ų24.31%0.01316%0.16CC..PPolyproline II helixtrans-65.2156.2177.826.9-35.2000112.6G55 I76 I89 N117 F118G55-P84 VanDerWaalsContact CA-CD 3.5Å; I76-P84 HydrophobicContact CB-CG 4.39Å; I76-P84 HydrophobicContact CG2-CB 3.54Å; I76-P84 HydrophobicContact CG2-CG 3.86Å; P84-I89 HydrophobicContact CB-CG1 4.43Å; P84-I89 HydrophobicContact CG-CD1 4.08Å; P84-I89 HydrophobicContact CG-CG1 4.09Å; P84-N117 PolarHBondContact O-ND2 3.16Å; P84-F118 HydrophobicContact CG-CE2 3.59Å; P84-F118 HydrophobicContact CG-CZ 3.97Å
85A97.8Very high98Very high64 Ų6425 Ų2553%0.52917%0.166SC..PPolyproline II helixtrans-68.8143.8175.200000111.9G87 S88 I89A85-G87 PolarHBondContact O-N 3.33Å; A85-S88 PolarHBondContact O-N 3.33Å; A85-S88 VanDerWaalsContact O-N 3.08Å; A85-I89 PolarHBondContact O-N 2.88Å
86V98.6Very high98Very high26 Ų2624.9 Ų24.916%0.15817%0.165CC..Hα-helixtrans-53.8-40.5-180177.60000112.2S88 I89 L90 N117 L120 A121V86-S88 VanDerWaalsContact C-N 3.33Å; V86-S88 PolarHBondContact O-N 3.4Å; V86-I89 PolarHBondContact O-N 3.5Å; V86-I89 VanDerWaalsContact O-N 3.17Å; V86-L90 WeakPolarHBondContact O-CB 3.39Å; V86-L90 PolarHBondContact O-N 2.93Å; V86-N117 HydrophobicContact CG2-CB 4.03Å; V86-L120 HydrophobicContact CG1-CB 4.41Å; V86-L120 HydrophobicContact CG1-CD2 4.23Å; V86-L120 HydrophobicContact CG1-CG 4.07Å; V86-L120 HydrophobicContact CG2-CB 4.32Å; V86-L120 HydrophobicContact CG2-CD2 3.97Å; V86-L120 HydrophobicContact CG2-CG 4.4Å; V86-A121 HydrophobicContact CG1-CB 4.03Å
87G98.4Very high98Very high44 Ų4426.2 Ų26.245%0.45418%0.176SC..Hα-helixtrans-59.3-39.1178.900000113.7A85 A91A85-G87 PolarHBondContact O-N 3.33Å; G87-A91 VanDerWaalsContact O-CB 3.31Å; G87-A91 WeakPolarHBondContact O-CB 3.18Å; G87-A91 PolarHBondContact O-N 2.89Å
88S98.6Very high97.9Very high23 Ų2333.5 Ų33.516%0.16121%0.208CC..Hα-helixtrans-72.1-35.1176.7-61.50000112.4H34 A85 V86 A92H34-S88 PolarHBondContact ND1-OG 3.03Å; A85-S88 PolarHBondContact O-N 3.33Å; A85-S88 VanDerWaalsContact O-N 3.08Å; V86-S88 VanDerWaalsContact C-N 3.33Å; V86-S88 PolarHBondContact O-N 3.4Å; S88-A92 PolarHBondContact O-N 3.34Å; S88-A92 VanDerWaalsContact O-N 3.1Å
89I98.9Very high97.9Very high0 Ų033.9 Ų33.90%021%0.211CC..Hα-helixtrans-64.5-47.9174.2-57.8159.7000110I76 P84 A85 V86 A91 A92 I93 N117 F118 A121I76-I89 HydrophobicContact CB-CG1 4.43Å; I76-I89 HydrophobicContact CG2-CG1 3.88Å; P84-I89 HydrophobicContact CB-CG1 4.43Å; P84-I89 HydrophobicContact CG-CD1 4.08Å; P84-I89 HydrophobicContact CG-CG1 4.09Å; A85-I89 PolarHBondContact O-N 2.88Å; V86-I89 PolarHBondContact O-N 3.5Å; V86-I89 VanDerWaalsContact O-N 3.17Å; I89-A91 PolarHBondContact O-N 3.41Å; I89-A92 PolarHBondContact O-N 2.63Å; I89-I93 HydrophobicContact CG2-CD1 4.07Å; I89-I93 WeakPolarHBondContact O-CG1 3.23Å; I89-I93 PolarHBondContact O-N 3.26Å; I89-N117 HydrophobicContact CD1-CB 3.92Å; I89-F118 HydrophobicContact CD1-CD1 4.24Å; I89-F118 HydrophobicContact CD1-CD2 3.63Å; I89-F118 HydrophobicContact CD1-CE1 4.38Å; I89-F118 HydrophobicContact CD1-CE2 3.81Å; I89-F118 HydrophobicContact CD1-CG 3.87Å; I89-F118 HydrophobicContact CD1-CZ 4.18Å; I89-F118 HydrophobicContact CG1-CD1 4.39Å; I89-F118 HydrophobicContact CG1-CD2 4.4Å; I89-F118 HydrophobicContact CG1-CE1 4.18Å; I89-F118 HydrophobicContact CG1-CE2 4.21Å; I89-F118 HydrophobicContact CG1-CG 4.5Å; I89-F118 HydrophobicContact CG1-CZ 4.09Å; I89-F118 HydrophobicContact CG2-CD1 3.78Å; I89-F118 HydrophobicContact CG2-CE1 3.98Å; I89-F118 HydrophobicContact CG2-CG 4.35Å; I89-A121 HydrophobicContact CB-CB 3.7Å; I89-A121 HydrophobicContact CG2-CB 3.42Å; I89-A121 VanDerWaalsContact CG2-CB 3.42Å
90L98.8Very high97.9Very high10 Ų1033.3 Ų33.35%0.05221%0.209CC..Hα-helixtrans-64.2-39.2179.2-173.260.8000112.1V86 A92 I93 R94 Q124 A125V86-L90 WeakPolarHBondContact O-CB 3.39Å; V86-L90 PolarHBondContact O-N 2.93Å; L90-A92 PolarHBondContact O-N 3.09Å; L90-I93 PolarHBondContact O-N 3.49Å; L90-R94 VanDerWaalsContact CD2-CZ 3.49Å; L90-R94 WeakPolarHBondContact O-CG 3.29Å; L90-R94 PolarHBondContact O-N 3.09Å; L90-Q124 HydrophobicContact CD1-CB 4.25Å; L90-Q124 HydrophobicContact CD2-CB 4.16Å; L90-A125 HydrophobicContact CD1-CB 3.81Å
91A98.8Very high98Very high16 Ų1633.1 Ų33.113%0.13221%0.208CC..Hα-helixtrans-60.8-42.6174.500000112.1L31 H34 G87 I89 R94 A95L31-A91 HydrophobicContact CD2-CB 3.9Å; H34-A91 WeakPolarHBondContact NE2-CB 3.4Å; G87-A91 VanDerWaalsContact O-CB 3.31Å; G87-A91 WeakPolarHBondContact O-CB 3.18Å; G87-A91 PolarHBondContact O-N 2.89Å; I89-A91 PolarHBondContact O-N 3.41Å; A91-R94 PolarHBondContact O-N 3.01Å; A91-A95 WeakPolarHBondContact O-CB 3.4Å; A91-A95 PolarHBondContact O-N 3.22Å
92A98.9Very high98.1Very high0 Ų035.3 Ų35.30%022%0.224CC..Hα-helixtrans-63.9-43.6175.800000112.3V36 L52 I76 S88 I89 L90 R94 A95 V96V36-A92 HydrophobicContact CG1-CB 3.86Å; V36-A92 HydrophobicContact CG2-CB 4.34Å; L52-A92 HydrophobicContact CD1-CB 3.92Å; I76-A92 HydrophobicContact CD1-CB 3.88Å; I76-A92 HydrophobicContact CG1-CB 3.65Å; S88-A92 PolarHBondContact O-N 3.34Å; S88-A92 VanDerWaalsContact O-N 3.1Å; I89-A92 PolarHBondContact O-N 2.63Å; L90-A92 PolarHBondContact O-N 3.09Å; A92-R94 VanDerWaalsContact C-N 3.35Å; A92-R94 PolarHBondContact O-N 3.39Å; A92-A95 PolarHBondContact O-N 3.06Å; A92-V96 PolarHBondContact O-N 3.04Å; A92-V96 VanDerWaalsContact O-N 3.12Å
93I98.9Very high98.2Very high0 Ų031.5 Ų31.50%020%0.201CC..Hα-helixtrans-58.9-46.7175.8-67.9165.8000110.6L52 I89 L90 V96 A97 T104 L106 A121 A125 I130 V132L52-I93 HydrophobicContact CD1-CG1 3.93Å; I89-I93 HydrophobicContact CG2-CD1 4.07Å; I89-I93 WeakPolarHBondContact O-CG1 3.23Å; I89-I93 PolarHBondContact O-N 3.26Å; L90-I93 PolarHBondContact O-N 3.49Å; I93-V96 VanDerWaalsContact O-CG2 3.23Å; I93-V96 WeakPolarHBondContact O-CG2 3.34Å; I93-V96 PolarHBondContact O-N 3.32Å; I93-A97 WeakPolarHBondContact O-CB 3.33Å; I93-A97 PolarHBondContact O-N 3.29Å; I93-T104 HydrophobicContact CG1-CG2 4.47Å; I93-L106 HydrophobicContact CD1-CD1 4.24Å; I93-L106 HydrophobicContact CD1-CD2 4.14Å; I93-L106 HydrophobicContact CG1-CD2 4.14Å; I93-A121 HydrophobicContact CD1-CB 4.34Å; I93-A125 HydrophobicContact CD1-CB 4.2Å; I93-A125 HydrophobicContact CG2-CB 3.76Å; I93-I130 HydrophobicContact CG2-CD1 4.32Å; I93-I130 HydrophobicContact CG2-CG2 3.93Å; I93-V132 HydrophobicContact CD1-CG1 4.43Å; I93-V132 HydrophobicContact CG2-CG2 3.75Å
94R98.8Very high98.3Very high98 Ų9830.5 Ų30.537%0.3719%0.194SC..Hα-helixtrans-63.6-42.5178.3-72.6167.7174.8162.3-7.1112L90 A91 A92 V96 A97 Q98 E128 I130L90-R94 VanDerWaalsContact CD2-CZ 3.49Å; L90-R94 WeakPolarHBondContact O-CG 3.29Å; L90-R94 PolarHBondContact O-N 3.09Å; A91-R94 PolarHBondContact O-N 3.01Å; A92-R94 VanDerWaalsContact C-N 3.35Å; A92-R94 PolarHBondContact O-N 3.39Å; R94-V96 PolarHBondContact O-N 2.7Å; R94-A97 PolarHBondContact O-N 3.24Å; R94-Q98 WeakPolarHBondContact O-CB 3.5Å; R94-Q98 VanDerWaalsContact O-CG 3.28Å; R94-Q98 WeakPolarHBondContact O-CG 3.33Å; R94-Q98 PolarHBondContact O-N 2.75Å; R94-E128 IonicContact CZ-OE1 3.85Å; R94-E128 IonicContact CZ-OE2 2.77Å; R94-E128 IonicContact NE-OE1 2.77Å; R94-E128 IonicContact NE-OE2 3.53Å; R94-E128 PolarHBondContact NE-OE2 3.17Å; R94-E128 IonicContact NH2-OE1 3.53Å; R94-E128 PolarHBondContact NH2-OE1 3.22Å; R94-E128 IonicContact NH2-OE2 3.45Å; R94-E128 PolarHBondContact NH2-OE2 3.44Å; R94-E128 VanDerWaalsContact NH2-OE2 3.11Å; R94-I130 HydrophobicContact CG-CD1 4.04Å
95A98.7Very high98.3Very high15 Ų1530.4 Ų30.412%0.12419%0.193CC..Hα-helixtrans-59.8-45.4179.100000111.8L31 L38 A91 A92 Q98 A99L31-A95 HydrophobicContact CD1-CB 4.15Å; L38-A95 HydrophobicContact CD1-CB 3.98Å; A91-A95 WeakPolarHBondContact O-CB 3.4Å; A91-A95 PolarHBondContact O-N 3.22Å; A92-A95 PolarHBondContact O-N 3.06Å; A95-Q98 PolarHBondContact O-N 3.12Å; A95-A99 PolarHBondContact O-N 3.37Å
96V98.6Very high98.4Very high0 Ų027.3 Ų27.30%017%0.168CC..Hα-helixtrans-73.3-30178.1-58.20000112.7L38 L42 A50 L52 T73 A92 I93 R94 A99 T101 T104L38-V96 HydrophobicContact CD2-CG1 4.5Å; L42-V96 HydrophobicContact CD2-CG1 4.37Å; A50-V96 HydrophobicContact CB-CB 3.78Å; A50-V96 HydrophobicContact CB-CG1 4.26Å; A50-V96 HydrophobicContact CB-CG2 3.71Å; L52-V96 HydrophobicContact CD1-CG2 4.18Å; L52-V96 HydrophobicContact CD2-CG1 4.16Å; T73-V96 HydrophobicContact CG2-CG1 3.64Å; A92-V96 PolarHBondContact O-N 3.04Å; A92-V96 VanDerWaalsContact O-N 3.12Å; I93-V96 VanDerWaalsContact O-CG2 3.23Å; I93-V96 WeakPolarHBondContact O-CG2 3.34Å; I93-V96 PolarHBondContact O-N 3.32Å; R94-V96 PolarHBondContact O-N 2.7Å; V96-A99 PolarHBondContact O-N 3.42Å; V96-T101 HydrophobicContact CB-CG2 4.48Å; V96-T101 WeakPolarHBondContact O-CB 3.41Å; V96-T101 WeakPolarHBondContact O-CG2 3.35Å; V96-T101 PolarHBondContact O-OG1 2.91Å; V96-T104 HydrophobicContact CG2-CG2 4.41Å; V96-T104 WeakPolarHBondContact CG2-OG1 3.49Å
97A98.4Very high98.4Very high28 Ų2826.1 Ų26.123%0.23116%0.161CC..Hα-helixtrans-66.4-42.5173.100000111.6I93 R94 A99 G100 I130I93-A97 WeakPolarHBondContact O-CB 3.33Å; I93-A97 PolarHBondContact O-N 3.29Å; R94-A97 PolarHBondContact O-N 3.24Å; A97-A99 PolarHBondContact O-N 2.98Å; A97-G100 PolarHBondContact O-N 3.38Å; A97-I130 HydrophobicContact CB-CD1 4.13Å; A97-I130 HydrophobicContact CB-CG1 4.4Å; A97-I130 HydrophobicContact CB-CG2 3.89Å
98Q97.8Very high98.4Very high166 Ų16624 Ų2478%0.77614%0.139SC*.Hα-helixtrans-61.6-28.2176.9-75171.70.300112.8R94 A95 G100R94-Q98 WeakPolarHBondContact O-CB 3.5Å; R94-Q98 VanDerWaalsContact O-CG 3.28Å; R94-Q98 WeakPolarHBondContact O-CG 3.33Å; R94-Q98 PolarHBondContact O-N 2.75Å; A95-Q98 PolarHBondContact O-N 3.12Å; Q98-G100 PolarHBondContact O-N 2.99Å
99A97.1Very high98.4Very high13 Ų1322.9 Ų22.911%0.10713%0.131CC..THydrogen-bonded Turntrans-74.23.9173.100000114.3L42 A95 V96 A97L42-A99 HydrophobicContact CB-CB 3.73Å; A95-A99 PolarHBondContact O-N 3.37Å; V96-A99 PolarHBondContact O-N 3.42Å; A97-A99 PolarHBondContact O-N 2.98Å
100G97.1Very high98.3Very high33 Ų3323.9 Ų23.934%0.3414%0.136SC..THydrogen-bonded Turntrans84.223.417400000115K46 G47 A97 Q98K46-G100 WeakPolarHBondContact CA-O 3.27Å; G47-G100 PolarHBondContact N-O 3.02Å; A97-G100 PolarHBondContact O-N 3.38Å; Q98-G100 PolarHBondContact O-N 2.99Å
101T97.9Very high98.2Very high19 Ų1924.7 Ų24.712%0.11714%0.139CC..  trans-67.3149.4173.558.20000111L45 R48 A50 V96 G103L45-T101 HydrophobicContact CB-CG2 3.73Å; R48-T101 CarbonylContact O-C 3.57Å; R48-T101 WeakPolarHBondContact O-CA 3.45Å; R48-T101 VanDerWaalsContact O-CB 3.31Å; R48-T101 WeakPolarHBondContact O-CB 3.49Å; A50-T101 HydrophobicContact CB-CG2 3.83Å; V96-T101 HydrophobicContact CB-CG2 4.48Å; V96-T101 WeakPolarHBondContact O-CB 3.41Å; V96-T101 WeakPolarHBondContact O-CG2 3.35Å; V96-T101 PolarHBondContact O-OG1 2.91Å; T101-G103 VanDerWaalsContact C-N 3.25Å; T101-G103 PolarHBondContact O-N 3.48Å
102V96.9Very high98.1Very high82 Ų8228.4 Ų28.450%0.49716%0.16SC..SBendtrans-86.21.2179.6-66.10000113R48 V49R48-V102 WeakPolarHBondContact O-CG2 3.3Å; R48-V102 PolarHBondContact O-N 3.23Å; V49-V102 HydrophobicContact CG2-CG2 4.17Å
103G98.1Very high98Very high1 Ų130 Ų301%0.0118%0.177CC..EExtended strand (participates in β ladder)trans158.5168.2177.300000112.2V49 A50 T101 P131V49-G103 WeakPolarHBondContact CA-O 3.46Å; A50-G103 PolarHBondContact N-O 2.92Å; T101-G103 VanDerWaalsContact C-N 3.25Å; T101-G103 PolarHBondContact O-N 3.48Å; G103-P131 CarbonylContact C-O 3.53Å; G103-P131 VanDerWaalsContact CA-O 3.22Å; G103-P131 WeakPolarHBondContact CA-O 3.26Å
104T98.9Very high97.9Very high0 Ų030.3 Ų30.30%018%0.178CC..EExtended strand (participates in β ladder)trans-123.5131.1-179.1-600000111.2A50 L52 I93 V96 L106 P131 V132 E133A50-T104 CarbonylContact O-C 3.5Å; A50-T104 WeakPolarHBondContact O-CA 3.36Å; L52-T104 HydrophobicContact CB-CG2 4.33Å; L52-T104 HydrophobicContact CD1-CG2 3.77Å; L52-T104 HydrophobicContact CG-CG2 3.9Å; I93-T104 HydrophobicContact CG1-CG2 4.47Å; V96-T104 HydrophobicContact CG2-CG2 4.41Å; V96-T104 WeakPolarHBondContact CG2-OG1 3.49Å; T104-L106 HydrophobicContact CG2-CD2 4.03Å; T104-P131 PolarHBondContact N-O 3.28Å; T104-V132 CarbonylContact O-C 3.59Å; T104-V132 VanDerWaalsContact O-CA 3.27Å; T104-V132 WeakPolarHBondContact O-CA 3.45Å; T104-E133 PolarHBondContact O-N 3.39Å
105L98.9Very high97.9Very high0 Ų030.3 Ų30.30%018%0.178CC..EExtended strand (participates in β ladder)trans-100.7120.4167.2179.760000110V49 A50 L51 L52 I107 E133 V135 A164 L174 I177V49-L105 HydrophobicContact CG1-CB 4.38Å; A50-L105 PolarHBondContact O-N 2.93Å; L51-L105 HydrophobicContact CD2-CB 3.72Å; L51-L105 HydrophobicContact CD2-CD2 4.05Å; L51-L105 HydrophobicContact CD2-CG 4.35Å; L52-L105 PolarHBondContact N-O 3.32Å; L105-I107 HydrophobicContact CD2-CG1 4.31Å; L105-I107 HydrophobicContact CG-CG1 4.18Å; L105-E133 HydrophobicContact CD1-CB 4.01Å; L105-V135 HydrophobicContact CD1-CG1 4.01Å; L105-V135 HydrophobicContact CD1-CG2 4.09Å; L105-V135 HydrophobicContact CD2-CG2 4.42Å; L105-V135 HydrophobicContact CG-CG2 4.35Å; L105-A164 HydrophobicContact CD2-CB 4.49Å; L105-L174 HydrophobicContact CB-CD1 3.79Å; L105-I177 HydrophobicContact CD2-CG2 3.57Å
106L98.9Very high97.9Very high0 Ų035 Ų350%020%0.201CC..EExtended strand (participates in β ladder)trans-87.1116.2170.3-55.4179.1000109.6L52 I93 T104 V108 F118 R122 V132 E133 M134 V135L52-L106 HydrophobicContact CB-CD2 3.92Å; L52-L106 HydrophobicContact CD1-CD2 4.38Å; L52-L106 CarbonylContact O-C 3.42Å; L52-L106 WeakPolarHBondContact O-CA 3.22Å; I93-L106 HydrophobicContact CD1-CD1 4.24Å; I93-L106 HydrophobicContact CD1-CD2 4.14Å; I93-L106 HydrophobicContact CG1-CD2 4.14Å; T104-L106 HydrophobicContact CG2-CD2 4.03Å; L106-V108 HydrophobicContact CB-CG2 4.04Å; L106-F118 HydrophobicContact CB-CD1 4.36Å; L106-F118 HydrophobicContact CD1-CB 4.46Å; L106-F118 HydrophobicContact CD1-CD1 4.22Å; L106-F118 HydrophobicContact CD2-CD1 4.33Å; L106-R122 HydrophobicContact CD1-CB 4.04Å; L106-V132 HydrophobicContact CD1-CG1 3.77Å; L106-V132 HydrophobicContact CD2-CG1 4.39Å; L106-V132 HydrophobicContact CG-CG1 3.73Å; L106-E133 PolarHBondContact N-O 3.31Å; L106-M134 HydrophobicContact CB-CB 4.18Å; L106-M134 HydrophobicContact CB-CG 4.14Å; L106-M134 CarbonylContact O-C 3.51Å; L106-M134 WeakPolarHBondContact O-CA 3.46Å; L106-V135 PolarHBondContact O-N 3.15Å
107I98.9Very high97.9Very high0 Ų037.2 Ų37.20%021%0.213CC..EExtended strand (participates in β ladder)trans-99.6111.4175-55.8170.9000107.9L52 S53 L72 L105 V135 I137 T157 I160 A164L52-I107 PolarHBondContact O-N 3.5Å; S53-I107 WeakPolarHBondContact CA-O 3.38Å; S53-I107 PolarHBondContact OG-O 3.2Å; S53-I107 VanDerWaalsContact OG-O 3.09Å; L72-I107 HydrophobicContact CD2-CD1 4.22Å; L105-I107 HydrophobicContact CD2-CG1 4.31Å; L105-I107 HydrophobicContact CG-CG1 4.18Å; I107-V135 HydrophobicContact CB-CG2 4.2Å; I107-V135 HydrophobicContact CG1-CG2 3.88Å; I107-V135 HydrophobicContact CG2-CG2 4.23Å; I107-I137 HydrophobicContact CG2-CD1 4.39Å; I107-I137 HydrophobicContact CG2-CG1 3.91Å; I107-T157 HydrophobicContact CG2-CG2 4.19Å; I107-I160 HydrophobicContact CD1-CG2 4.4Å; I107-I160 HydrophobicContact CG2-CG2 3.96Å; I107-A164 HydrophobicContact CD1-CB 3.83Å
108V98.8Very high97.9Very high0 Ų035.9 Ų35.90%020%0.202CC..EExtended strand (participates in β ladder)trans-125.4127.9-165.8-173.60000110.5L106 D114 F118 M134 V135 V136 I137L106-V108 HydrophobicContact CB-CG2 4.04Å; V108-D114 HydrophobicContact CG1-CB 3.72Å; V108-F118 HydrophobicContact CG1-CB 4.29Å; V108-F118 HydrophobicContact CG1-CD2 4.23Å; V108-F118 HydrophobicContact CG1-CG 4.26Å; V108-F118 HydrophobicContact CG2-CB 3.77Å; V108-F118 HydrophobicContact CG2-CD1 3.74Å; V108-F118 HydrophobicContact CG2-CD2 4.41Å; V108-F118 HydrophobicContact CG2-CE1 4.43Å; V108-F118 HydrophobicContact CG2-CG 3.72Å; V108-M134 HydrophobicContact CB-CE 3.65Å; V108-M134 HydrophobicContact CG1-CE 3.74Å; V108-M134 HydrophobicContact CG2-CE 3.62Å; V108-M134 HydrophobicContact CG2-CG 3.96Å; V108-M134 HydrophobicContact CG2-SD 4.43Å; V108-V135 PolarHBondContact N-O 3.14Å; V108-V136 CarbonylContact O-C 3.48Å; V108-V136 VanDerWaalsContact O-CA 3.29Å; V108-V136 WeakPolarHBondContact O-CA 3.29Å; V108-I137 PolarHBondContact O-N 2.82Å
109K98.4Very high98Very high0 Ų028.8 Ų28.80%017%0.173CC..EExtended strand (participates in β ladder)trans-67143.9173.9-57.9-176.9-51.9-46.90109.8G54 H63 Y111 D114 T157 I220 M304G54-K109 PolarHBondContact O-NZ 3.19Å; H63-K109 PolarHBondContact NE2-NZ 3.43Å; K109-Y111 HydrophobicContact CB-CD2 3.8Å; K109-Y111 HydrophobicContact CB-CE2 4.19Å; K109-Y111 PolarHBondContact O-N 3.2Å; K109-D114 IonicContact NZ-OD2 2.66Å; K109-D114 PolarHBondContact NZ-OD2 3.31Å; K109-T157 HydrophobicContact CG-CG2 4.14Å; K109-I220 HydrophobicContact CD-CD1 4.22Å; K109-M304 HydrophobicContact CD-CE 4.01Å; K109-M304 HydrophobicContact CD-SD 4.35Å
110N97.6Very high98Very high20 Ų2032.4 Ų32.411%0.10719%0.19CC..SBendtrans-75.773.1-178.9-170.921.1000112.5R115 V136 I137 A149 R151N110-R115 WeakPolarHBondContact OD1-CD 3.46Å; N110-R115 PolarHBondContact OD1-NH1 3.34Å; N110-V136 HydrophobicContact CB-CG1 3.58Å; N110-I137 VanDerWaalsContact CB-O 3.26Å; N110-I137 WeakPolarHBondContact CB-O 3.39Å; N110-I137 PolarHBondContact N-O 2.92Å; N110-A149 PolarHBondContact ND2-O 3.47Å; N110-A149 PolarHBondContact OD1-O 3.18Å; N110-R151 VanDerWaalsContact CB-O 3.23Å; N110-R151 WeakPolarHBondContact CB-O 3.36Å; N110-R151 PolarHBondContact ND2-O 3.37Å
111Y96.7Very high98.1Very high28 Ų2830.9 Ų30.911%0.1117%0.174CC..  trans-121.2142.2168.3-72.2-80.3000109.2K109 G113 D114 R115 R152 G153 I220 H221 E223K109-Y111 HydrophobicContact CB-CD2 3.8Å; K109-Y111 HydrophobicContact CB-CE2 4.19Å; K109-Y111 PolarHBondContact O-N 3.2Å; Y111-G113 VanDerWaalsContact C-N 3.35Å; Y111-G113 PolarHBondContact O-N 3.16Å; Y111-D114 PolarHBondContact O-N 2.86Å; Y111-D114 VanDerWaalsContact O-N 3.15Å; Y111-R115 WeakPolarHBondContact O-CG 3.4Å; Y111-R115 PolarHBondContact O-N 3.26Å; Y111-R152 HydrophobicContact CE1-CB 4.42Å; Y111-R152 HydrophobicContact CE1-CG 4.06Å; Y111-G153 VanDerWaalsContact CE2-O 3.31Å; Y111-G153 WeakPolarHBondContact CE2-O 3.47Å; Y111-I220 HydrophobicContact CE2-CD1 4.11Å; Y111-I220 HydrophobicContact CE2-CG1 4.29Å; Y111-I220 VanDerWaalsContact OH-CG1 3.28Å; Y111-I220 WeakPolarHBondContact OH-CG1 3.32Å; Y111-H221 AromaticContact CD1-CE1 3.65Å; Y111-H221 AromaticContact CD1-ND1 3.89Å; Y111-H221 AromaticContact CD2-CE1 3.8Å; Y111-H221 AromaticContact CE1-CE1 3.41Å; Y111-H221 VanDerWaalsContact CE1-CE1 3.41Å; Y111-H221 WeakPolarHBondContact CE1-CE1 3.3Å; Y111-H221 AromaticContact CE1-ND1 3.38Å; Y111-H221 WeakPolarHBondContact CE1-ND1 3.4Å; Y111-H221 AromaticContact CE2-CE1 3.55Å; Y111-H221 AromaticContact CG-CE1 3.84Å; Y111-H221 AromaticContact CZ-CE1 3.33Å; Y111-H221 AromaticContact CZ-ND1 3.55Å; Y111-E223 WeakPolarHBondContact CE1-OE1 3.24Å
112T95.6Very high98.1Very high93 Ų9332.8 Ų32.857%0.57118%0.179SC*.Hα-helixtrans-56.9-47-174.1-54.70000112.2D114 R115 L116T112-D114 PolarHBondContact O-N 2.69Å; T112-R115 PolarHBondContact O-N 3.48Å; T112-L116 HydrophobicContact CG2-CD1 3.9Å; T112-L116 HydrophobicContact CG2-CG 4.4Å; T112-L116 WeakPolarHBondContact O-CG 3.34Å; T112-L116 PolarHBondContact O-N 3.47Å
113G96.6Very high98.2Very high34 Ų3433.3 Ų33.335%0.35118%0.176SC..Hα-helixtrans-63.4-39.3178.300000113.1S83 Y111 N117S83-G113 VanDerWaalsContact CB-C 3.45Å; S83-G113 WeakPolarHBondContact CB-O 3.24Å; S83-G113 VanDerWaalsContact OG-C 3.27Å; S83-G113 PolarHBondContact OG-O 2.9Å; Y111-G113 VanDerWaalsContact C-N 3.35Å; Y111-G113 PolarHBondContact O-N 3.16Å; G113-N117 WeakPolarHBondContact O-CB 3.47Å; G113-N117 VanDerWaalsContact O-CG 3.31Å; G113-N117 PolarHBondContact O-N 3.41Å; G113-N117 VanDerWaalsContact O-N 3.16Å
114D98.2Very high98.3Very high6 Ų636.9 Ų36.93%0.03219%0.192CC..Hα-helixtrans-65.4-47.9176.2-74.7-3.5000110.1S83 V108 K109 Y111 T112 L116 N117 F118S83-D114 VanDerWaalsContact CB-OD1 3.23Å; S83-D114 WeakPolarHBondContact CB-OD1 3.2Å; S83-D114 WeakPolarHBondContact OG-CA 3.36Å; S83-D114 PolarHBondContact OG-OD1 2.87Å; V108-D114 HydrophobicContact CG1-CB 3.72Å; K109-D114 IonicContact NZ-OD2 2.66Å; K109-D114 PolarHBondContact NZ-OD2 3.31Å; Y111-D114 PolarHBondContact O-N 2.86Å; Y111-D114 VanDerWaalsContact O-N 3.15Å; T112-D114 PolarHBondContact O-N 2.69Å; D114-L116 PolarHBondContact O-N 3.33Å; D114-N117 PolarHBondContact O-N 2.99Å; D114-F118 WeakPolarHBondContact O-CB 3.44Å; D114-F118 VanDerWaalsContact O-CD2 3.28Å; D114-F118 WeakPolarHBondContact O-CD2 3.46Å; D114-F118 PolarHBondContact O-N 2.94Å
115R98.3Very high98.2Very high98 Ų9836.9 Ų36.937%0.3719%0.192SC..Hα-helixtrans-60.3-45.1-180-77.5171.552.7-1771.2113.5N110 Y111 T112 G119 M134 V136 A149N110-R115 WeakPolarHBondContact OD1-CD 3.46Å; N110-R115 PolarHBondContact OD1-NH1 3.34Å; Y111-R115 WeakPolarHBondContact O-CG 3.4Å; Y111-R115 PolarHBondContact O-N 3.26Å; T112-R115 PolarHBondContact O-N 3.48Å; R115-G119 WeakPolarHBondContact O-CA 3.38Å; R115-G119 PolarHBondContact O-N 3.21Å; R115-M134 HydrophobicContact CG-CE 4.47Å; R115-V136 HydrophobicContact CG-CG1 4.26Å; R115-V136 HydrophobicContact CG-CG2 4.27Å; R115-A149 PolarHBondContact NH1-O 2.92Å
116L98.1Very high98.2Very high114 Ų11441.1 Ų41.160%0.59721%0.208SC*.Hα-helixtrans-68-47.7-178.7-69.6174.9000111.2T112 D114 G119 L120T112-L116 HydrophobicContact CG2-CD1 3.9Å; T112-L116 HydrophobicContact CG2-CG 4.4Å; T112-L116 WeakPolarHBondContact O-CG 3.34Å; T112-L116 PolarHBondContact O-N 3.47Å; D114-L116 PolarHBondContact O-N 3.33Å; L116-G119 PolarHBondContact O-N 3.07Å; L116-L120 WeakPolarHBondContact O-CB 3.3Å; L116-L120 PolarHBondContact O-N 3.2Å
117N98.8Very high98.2Very high47 Ų4745.5 Ų45.525%0.25125%0.245SC..Hα-helixtrans-70.2-44.7-175-69.6-4.7000112.2S83 P84 V86 I89 G113 D114 A121S83-N117 PolarHBondContact OG-ND2 3.42Å; S83-N117 VanDerWaalsContact OG-ND2 3.08Å; P84-N117 PolarHBondContact O-ND2 3.16Å; V86-N117 HydrophobicContact CG2-CB 4.03Å; I89-N117 HydrophobicContact CD1-CB 3.92Å; G113-N117 WeakPolarHBondContact O-CB 3.47Å; G113-N117 VanDerWaalsContact O-CG 3.31Å; G113-N117 PolarHBondContact O-N 3.41Å; G113-N117 VanDerWaalsContact O-N 3.16Å; D114-N117 PolarHBondContact O-N 2.99Å; N117-A121 WeakPolarHBondContact O-CB 3.39Å; N117-A121 PolarHBondContact O-N 3.46Å; N117-A121 VanDerWaalsContact O-N 3.09Å
118F98.8Very high98.2Very high0 Ų049.6 Ų49.60%026%0.264CS..Hα-helixtrans-69.9-36.1175.7-78.9-101.2000112.1I76 P84 I89 L106 V108 D114 A121 R122 M134I76-F118 HydrophobicContact CB-CZ 4.46Å; I76-F118 HydrophobicContact CD1-CE1 4.27Å; P84-F118 HydrophobicContact CG-CE2 3.59Å; P84-F118 HydrophobicContact CG-CZ 3.97Å; I89-F118 HydrophobicContact CD1-CD1 4.24Å; I89-F118 HydrophobicContact CD1-CD2 3.63Å; I89-F118 HydrophobicContact CD1-CE1 4.38Å; I89-F118 HydrophobicContact CD1-CE2 3.81Å; I89-F118 HydrophobicContact CD1-CG 3.87Å; I89-F118 HydrophobicContact CD1-CZ 4.18Å; I89-F118 HydrophobicContact CG1-CD1 4.39Å; I89-F118 HydrophobicContact CG1-CD2 4.4Å; I89-F118 HydrophobicContact CG1-CE1 4.18Å; I89-F118 HydrophobicContact CG1-CE2 4.21Å; I89-F118 HydrophobicContact CG1-CG 4.5Å; I89-F118 HydrophobicContact CG1-CZ 4.09Å; I89-F118 HydrophobicContact CG2-CD1 3.78Å; I89-F118 HydrophobicContact CG2-CE1 3.98Å; I89-F118 HydrophobicContact CG2-CG 4.35Å; L106-F118 HydrophobicContact CB-CD1 4.36Å; L106-F118 HydrophobicContact CD1-CB 4.46Å; L106-F118 HydrophobicContact CD1-CD1 4.22Å; L106-F118 HydrophobicContact CD2-CD1 4.33Å; V108-F118 HydrophobicContact CG1-CB 4.29Å; V108-F118 HydrophobicContact CG1-CD2 4.23Å; V108-F118 HydrophobicContact CG1-CG 4.26Å; V108-F118 HydrophobicContact CG2-CB 3.77Å; V108-F118 HydrophobicContact CG2-CD1 3.74Å; V108-F118 HydrophobicContact CG2-CD2 4.41Å; V108-F118 HydrophobicContact CG2-CE1 4.43Å; V108-F118 HydrophobicContact CG2-CG 3.72Å; D114-F118 WeakPolarHBondContact O-CB 3.44Å; D114-F118 VanDerWaalsContact O-CD2 3.28Å; D114-F118 WeakPolarHBondContact O-CD2 3.46Å; D114-F118 PolarHBondContact O-N 2.94Å; F118-A121 PolarHBondContact O-N 3Å; F118-R122 WeakPolarHBondContact O-CB 3.46Å; F118-R122 PolarHBondContact O-N 3.27Å; F118-M134 HydrophobicContact CB-CE 4.15Å
119G98.6Very high98.1Very high17 Ų1752.6 Ų52.618%0.17530%0.295CS..Hα-helixtrans-61.9-46.4174.800000112.1R115 L116 R122 E123R115-G119 WeakPolarHBondContact O-CA 3.38Å; R115-G119 PolarHBondContact O-N 3.21Å; L116-G119 PolarHBondContact O-N 3.07Å; G119-R122 WeakPolarHBondContact O-CB 3.34Å; G119-R122 PolarHBondContact O-N 2.91Å; G119-E123 WeakPolarHBondContact O-CG 3.33Å; G119-E123 PolarHBondContact O-N 2.96Å
120L98.6Very high98.2Very high89 Ų8953.9 Ų53.947%0.46630%0.301SS..Hα-helixtrans-63.7-42.4176.9-178.958.5000111.9V86 L116 R122 E123 Q124V86-L120 HydrophobicContact CG1-CB 4.41Å; V86-L120 HydrophobicContact CG1-CD2 4.23Å; V86-L120 HydrophobicContact CG1-CG 4.07Å; V86-L120 HydrophobicContact CG2-CB 4.32Å; V86-L120 HydrophobicContact CG2-CD2 3.97Å; V86-L120 HydrophobicContact CG2-CG 4.4Å; L116-L120 WeakPolarHBondContact O-CB 3.3Å; L116-L120 PolarHBondContact O-N 3.2Å; L120-R122 VanDerWaalsContact C-N 3.3Å; L120-R122 PolarHBondContact O-N 3.4Å; L120-E123 PolarHBondContact O-N 3.17Å; L120-Q124 HydrophobicContact CD1-CG 4.44Å; L120-Q124 WeakPolarHBondContact O-CG 3.24Å; L120-Q124 PolarHBondContact O-N 3.38Å
121A98.8Very high98.2Very high0 Ų056.4 Ų56.40%032%0.319CS..Hα-helixtrans-61.9-38.2175.200000112.2V86 I89 I93 N117 F118 Q124 A125V86-A121 HydrophobicContact CG1-CB 4.03Å; I89-A121 HydrophobicContact CB-CB 3.7Å; I89-A121 HydrophobicContact CG2-CB 3.42Å; I89-A121 VanDerWaalsContact CG2-CB 3.42Å; I93-A121 HydrophobicContact CD1-CB 4.34Å; N117-A121 WeakPolarHBondContact O-CB 3.39Å; N117-A121 PolarHBondContact O-N 3.46Å; N117-A121 VanDerWaalsContact O-N 3.09Å; F118-A121 PolarHBondContact O-N 3Å; A121-Q124 PolarHBondContact O-N 3.46Å; A121-A125 WeakPolarHBondContact O-CB 3.45Å; A121-A125 PolarHBondContact O-N 3.4Å
122R98.6Very high98.3Very high60 Ų6055.1 Ų55.123%0.22631%0.314CS..Hα-helixtrans-60.4-49.9174-175.1-170.480.61744111.6L106 F118 G119 L120 Q124 A125 R126 V132L106-R122 HydrophobicContact CD1-CB 4.04Å; F118-R122 WeakPolarHBondContact O-CB 3.46Å; F118-R122 PolarHBondContact O-N 3.27Å; G119-R122 WeakPolarHBondContact O-CB 3.34Å; G119-R122 PolarHBondContact O-N 2.91Å; L120-R122 VanDerWaalsContact C-N 3.3Å; L120-R122 PolarHBondContact O-N 3.4Å; R122-Q124 VanDerWaalsContact C-N 3.32Å; R122-Q124 PolarHBondContact O-N 3.38Å; R122-A125 PolarHBondContact O-N 3.33Å; R122-R126 WeakPolarHBondContact O-CB 3.38Å; R122-R126 WeakPolarHBondContact O-CG 3.24Å; R122-R126 PolarHBondContact O-N 3.01Å; R122-V132 HydrophobicContact CB-CG1 4.39Å; R122-V132 HydrophobicContact CG-CB 4.04Å; R122-V132 HydrophobicContact CG-CG1 3.85Å
123E98.6Very high98.4Very high93 Ų9353.4 Ų53.444%0.43530%0.299SS..Hα-helixtrans-62.8-40.1-179.7-64.2-50.8129.300111.6G119 L120 R126 A127G119-E123 WeakPolarHBondContact O-CG 3.33Å; G119-E123 PolarHBondContact O-N 2.96Å; L120-E123 PolarHBondContact O-N 3.17Å; E123-R126 PolarHBondContact O-N 3.32Å; E123-A127 WeakPolarHBondContact O-CB 3.3Å; E123-A127 PolarHBondContact O-N 3.09Å
124Q98.8Very high98.5Very high75 Ų7553 Ų5335%0.3529%0.289SS..Hα-helixtrans-63.4-46.9175.1-71.5176.5-6.300112L90 L120 A121 R122 R126 A127 E128L90-Q124 HydrophobicContact CD1-CB 4.25Å; L90-Q124 HydrophobicContact CD2-CB 4.16Å; L120-Q124 HydrophobicContact CD1-CG 4.44Å; L120-Q124 WeakPolarHBondContact O-CG 3.24Å; L120-Q124 PolarHBondContact O-N 3.38Å; A121-Q124 PolarHBondContact O-N 3.46Å; R122-Q124 VanDerWaalsContact C-N 3.32Å; R122-Q124 PolarHBondContact O-N 3.38Å; Q124-R126 VanDerWaalsContact C-N 3.34Å; Q124-R126 PolarHBondContact O-N 3.24Å; Q124-A127 WeakPolarHBondContact O-CB 3.41Å; Q124-A127 PolarHBondContact O-N 2.89Å; Q124-E128 WeakPolarHBondContact O-CG 3.48Å; Q124-E128 PolarHBondContact O-N 2.94Å; Q124-E128 VanDerWaalsContact O-N 3.14Å
125A98.7Very high98.6Very high0 Ų052.8 Ų52.80%029%0.287CS..Hα-helixtrans-62.9-38.5177.300000112.8L90 I93 A121 R122 E128 G129 I130 V132L90-A125 HydrophobicContact CD1-CB 3.81Å; I93-A125 HydrophobicContact CD1-CB 4.2Å; I93-A125 HydrophobicContact CG2-CB 3.76Å; A121-A125 WeakPolarHBondContact O-CB 3.45Å; A121-A125 PolarHBondContact O-N 3.4Å; R122-A125 PolarHBondContact O-N 3.33Å; A125-E128 CarbonylContact O-C 3.53Å; A125-E128 WeakPolarHBondContact O-CA 3.41Å; A125-E128 WeakPolarHBondContact O-CB 3.45Å; A125-E128 PolarHBondContact O-N 3.37Å; A125-E128 VanDerWaalsContact O-N 3.13Å; A125-G129 PolarHBondContact O-N 3.3Å; A125-I130 HydrophobicContact CB-CB 4.34Å; A125-I130 WeakPolarHBondContact O-CB 3.32Å; A125-I130 PolarHBondContact O-N 3.49Å; A125-V132 HydrophobicContact CB-CG2 3.75Å
126R98.6Very high98.6Very high89 Ų8950.8 Ų50.834%0.33629%0.286SS..Hα-helixtrans-65.5-38.3174.6-76.3179175.9-160.3-6.7112.3R122 E123 Q124 E128 G129 V132 E133R122-R126 WeakPolarHBondContact O-CB 3.38Å; R122-R126 WeakPolarHBondContact O-CG 3.24Å; R122-R126 PolarHBondContact O-N 3.01Å; E123-R126 PolarHBondContact O-N 3.32Å; Q124-R126 VanDerWaalsContact C-N 3.34Å; Q124-R126 PolarHBondContact O-N 3.24Å; R126-E128 PolarHBondContact O-N 3.02Å; R126-G129 PolarHBondContact O-N 2.94Å; R126-V132 PolarHBondContact NE-O 3.02Å; R126-V132 PolarHBondContact NH2-O 3.25Å; R126-E133 IonicContact CZ-OE1 3.3Å; R126-E133 IonicContact NH2-OE1 2.79Å; R126-E133 PolarHBondContact NH2-OE1 3.32Å; R126-E133 IonicContact NH2-OE2 3.09Å; R126-E133 PolarHBondContact NH2-OE2 2.89Å; R126-E133 VanDerWaalsContact NH2-OE2 3.15Å
127A98.4Very high98.6Very high92 Ų9245.3 Ų45.376%0.7626%0.258SS*.Hα-helixtrans-63.3-25.7173.100000112.4E123 Q124 G129E123-A127 WeakPolarHBondContact O-CB 3.3Å; E123-A127 PolarHBondContact O-N 3.09Å; Q124-A127 WeakPolarHBondContact O-CB 3.41Å; Q124-A127 PolarHBondContact O-N 2.89Å; A127-G129 VanDerWaalsContact C-N 3.27Å
128E98.3Very high98.5Very high87 Ų8744 Ų4441%0.40725%0.254SS..THydrogen-bonded Turntrans-83.22.6171.4-64.8168.5-144.500113.5R94 Q124 A125 R126 I130R94-E128 IonicContact CZ-OE1 3.85Å; R94-E128 IonicContact CZ-OE2 2.77Å; R94-E128 IonicContact NE-OE1 2.77Å; R94-E128 IonicContact NE-OE2 3.53Å; R94-E128 PolarHBondContact NE-OE2 3.17Å; R94-E128 IonicContact NH2-OE1 3.53Å; R94-E128 PolarHBondContact NH2-OE1 3.22Å; R94-E128 IonicContact NH2-OE2 3.45Å; R94-E128 PolarHBondContact NH2-OE2 3.44Å; R94-E128 VanDerWaalsContact NH2-OE2 3.11Å; Q124-E128 WeakPolarHBondContact O-CG 3.48Å; Q124-E128 PolarHBondContact O-N 2.94Å; Q124-E128 VanDerWaalsContact O-N 3.14Å; A125-E128 CarbonylContact O-C 3.53Å; A125-E128 WeakPolarHBondContact O-CA 3.41Å; A125-E128 WeakPolarHBondContact O-CB 3.45Å; A125-E128 PolarHBondContact O-N 3.37Å; A125-E128 VanDerWaalsContact O-N 3.13Å; R126-E128 PolarHBondContact O-N 3.02Å; E128-I130 VanDerWaalsContact C-N 3.33Å; E128-I130 HydrophobicContact CB-CD1 4.48Å; E128-I130 HydrophobicContact CB-CG1 4.41Å
129G98.1Very high98.5Very high63 Ų6344 Ų4465%0.64925%0.254SS*.THydrogen-bonded Turntrans79.59.9-179.200000114.7A125 R126 A127 P131A125-G129 PolarHBondContact O-N 3.3Å; R126-G129 PolarHBondContact O-N 2.94Å; A127-G129 VanDerWaalsContact C-N 3.27Å; G129-P131 WeakPolarHBondContact O-CD 3.34Å
130I98.6Very high98.4Very high27 Ų2743.1 Ų43.114%0.13825%0.246CC..  trans-83.7123.5177.6-55173.8000109.1I93 R94 A97 A125 E128 V132I93-I130 HydrophobicContact CG2-CD1 4.32Å; I93-I130 HydrophobicContact CG2-CG2 3.93Å; R94-I130 HydrophobicContact CG-CD1 4.04Å; A97-I130 HydrophobicContact CB-CD1 4.13Å; A97-I130 HydrophobicContact CB-CG1 4.4Å; A97-I130 HydrophobicContact CB-CG2 3.89Å; A125-I130 HydrophobicContact CB-CB 4.34Å; A125-I130 WeakPolarHBondContact O-CB 3.32Å; A125-I130 PolarHBondContact O-N 3.49Å; E128-I130 VanDerWaalsContact C-N 3.33Å; E128-I130 HydrophobicContact CB-CD1 4.48Å; E128-I130 HydrophobicContact CB-CG1 4.41Å; I130-V132 HydrophobicContact CB-CG2 4.36Å; I130-V132 HydrophobicContact CG2-CG2 3.88Å; I130-V132 PolarHBondContact O-N 3.22Å
131P98.4Very high98.3Very high72 Ų7238.9 Ų38.947%0.46822%0.224SC..  trans-67.8114.1174.9-18.631.9000110.9G103 T104 G129 L174G103-P131 CarbonylContact C-O 3.53Å; G103-P131 VanDerWaalsContact CA-O 3.22Å; G103-P131 WeakPolarHBondContact CA-O 3.26Å; T104-P131 PolarHBondContact N-O 3.28Å; G129-P131 WeakPolarHBondContact O-CD 3.34Å; P131-L174 HydrophobicContact CB-CD2 4.32Å
132V98.8Very high98.1Very high2 Ų239 Ų391%0.01222%0.224CC..EExtended strand (participates in β ladder)trans-135125.7179.3-172.40000110.3I93 T104 L106 R122 A125 R126 I130I93-V132 HydrophobicContact CD1-CG1 4.43Å; I93-V132 HydrophobicContact CG2-CG2 3.75Å; T104-V132 CarbonylContact O-C 3.59Å; T104-V132 VanDerWaalsContact O-CA 3.27Å; T104-V132 WeakPolarHBondContact O-CA 3.45Å; L106-V132 HydrophobicContact CD1-CG1 3.77Å; L106-V132 HydrophobicContact CD2-CG1 4.39Å; L106-V132 HydrophobicContact CG-CG1 3.73Å; R122-V132 HydrophobicContact CB-CG1 4.39Å; R122-V132 HydrophobicContact CG-CB 4.04Å; R122-V132 HydrophobicContact CG-CG1 3.85Å; A125-V132 HydrophobicContact CB-CG2 3.75Å; R126-V132 PolarHBondContact NE-O 3.02Å; R126-V132 PolarHBondContact NH2-O 3.25Å; I130-V132 HydrophobicContact CB-CG2 4.36Å; I130-V132 HydrophobicContact CG2-CG2 3.88Å; I130-V132 PolarHBondContact O-N 3.22Å
133E98.8Very high97.7Very high56 Ų5639 Ų3926%0.26223%0.226SC..EExtended strand (participates in β ladder)trans-110163.1169.1-75.7-59.6151.300111.2T104 L105 L106 R126 L174 T178T104-E133 PolarHBondContact O-N 3.39Å; L105-E133 HydrophobicContact CD1-CB 4.01Å; L106-E133 PolarHBondContact N-O 3.31Å; R126-E133 IonicContact CZ-OE1 3.3Å; R126-E133 IonicContact NH2-OE1 2.79Å; R126-E133 PolarHBondContact NH2-OE1 3.32Å; R126-E133 IonicContact NH2-OE2 3.09Å; R126-E133 PolarHBondContact NH2-OE2 2.89Å; R126-E133 VanDerWaalsContact NH2-OE2 3.15Å; E133-L174 HydrophobicContact CB-CD1 3.98Å; E133-L174 HydrophobicContact CB-CD2 4.16Å; E133-L174 HydrophobicContact CB-CG 4.01Å; E133-L174 HydrophobicContact CG-CD1 4.36Å; E133-L174 HydrophobicContact CG-CD2 3.85Å; E133-L174 HydrophobicContact CG-CG 3.82Å; E133-T178 HydrophobicContact CB-CG2 4.21Å; E133-T178 WeakPolarHBondContact CB-OG1 3.42Å; E133-T178 HydrophobicContact CG-CG2 4.46Å
134M98.6Very high97.1Very high27 Ų2738.3 Ų38.313%0.13323%0.229CC..EExtended strand (participates in β ladder)trans-139.5131.9-179.3-179.4-171.6176.100110.9L106 V108 R115 F118 V136L106-M134 HydrophobicContact CB-CB 4.18Å; L106-M134 HydrophobicContact CB-CG 4.14Å; L106-M134 CarbonylContact O-C 3.51Å; L106-M134 WeakPolarHBondContact O-CA 3.46Å; V108-M134 HydrophobicContact CB-CE 3.65Å; V108-M134 HydrophobicContact CG1-CE 3.74Å; V108-M134 HydrophobicContact CG2-CE 3.62Å; V108-M134 HydrophobicContact CG2-CG 3.96Å; V108-M134 HydrophobicContact CG2-SD 4.43Å; R115-M134 HydrophobicContact CG-CE 4.47Å; F118-M134 HydrophobicContact CB-CE 4.15Å; M134-V136 HydrophobicContact CE-CG2 3.7Å
135V98.6Very high96.5Very high0 Ų040.1 Ų40.10%025%0.245CC..EExtended strand (participates in β ladder)trans-114.7133.3170.5-68.80000109.7L105 L106 I107 V108 I137 T178 V181L105-V135 HydrophobicContact CD1-CG1 4.01Å; L105-V135 HydrophobicContact CD1-CG2 4.09Å; L105-V135 HydrophobicContact CD2-CG2 4.42Å; L105-V135 HydrophobicContact CG-CG2 4.35Å; L106-V135 PolarHBondContact O-N 3.15Å; I107-V135 HydrophobicContact CB-CG2 4.2Å; I107-V135 HydrophobicContact CG1-CG2 3.88Å; I107-V135 HydrophobicContact CG2-CG2 4.23Å; V108-V135 PolarHBondContact N-O 3.14Å; V135-I137 HydrophobicContact CB-CD1 4.4Å; V135-I137 HydrophobicContact CG2-CD1 4.21Å; V135-T178 HydrophobicContact CG1-CG2 3.92Å; V135-V181 HydrophobicContact CB-CG1 4.21Å; V135-V181 HydrophobicContact CG1-CG1 4.11Å; V135-V181 HydrophobicContact CG2-CG1 3.87Å
136V98.5Very high95.8Very high56 Ų5643.9 Ų43.934%0.33926%0.264SS..EExtended strand (participates in β ladder)trans-104.7119.9178.9177.60000109.1V108 N110 R115 M134V108-V136 CarbonylContact O-C 3.48Å; V108-V136 VanDerWaalsContact O-CA 3.29Å; V108-V136 WeakPolarHBondContact O-CA 3.29Å; N110-V136 HydrophobicContact CB-CG1 3.58Å; R115-V136 HydrophobicContact CG-CG1 4.26Å; R115-V136 HydrophobicContact CG-CG2 4.27Å; M134-V136 HydrophobicContact CE-CG2 3.7Å
137I98.4Very high95.2Very high0 Ų048.4 Ų48.40%029%0.286CS..EExtended strand (participates in β ladder)trans-96.6119-176.2-48.7-49.3000109.6I107 V108 N110 V135 G153 T157 I160 A185 M188I107-I137 HydrophobicContact CG2-CD1 4.39Å; I107-I137 HydrophobicContact CG2-CG1 3.91Å; V108-I137 PolarHBondContact O-N 2.82Å; N110-I137 VanDerWaalsContact CB-O 3.26Å; N110-I137 WeakPolarHBondContact CB-O 3.39Å; N110-I137 PolarHBondContact N-O 2.92Å; V135-I137 HydrophobicContact CB-CD1 4.4Å; V135-I137 HydrophobicContact CG2-CD1 4.21Å; I137-G153 WeakPolarHBondContact O-CA 3.45Å; I137-T157 HydrophobicContact CB-CG2 4.48Å; I137-T157 HydrophobicContact CG1-CG2 4.25Å; I137-T157 WeakPolarHBondContact CG2-OG1 3.5Å; I137-I160 HydrophobicContact CD1-CB 4.36Å; I137-I160 HydrophobicContact CD1-CG1 4.07Å; I137-I160 HydrophobicContact CD1-CG2 3.92Å; I137-I160 HydrophobicContact CG1-CG2 4.45Å; I137-I160 HydrophobicContact CG2-CG1 4.49Å; I137-A185 HydrophobicContact CD1-CB 4.07Å; I137-M188 HydrophobicContact CG2-CE 3.49Å; I137-M188 VanDerWaalsContact CG2-CE 3.49Å
138G97.2Very high94.7Very high18 Ų1854.4 Ų54.419%0.18630%0.295CS..  trans-132.281.5176.100000110.2R151 R152G138-R151 WeakPolarHBondContact CA-O 3.33Å; G138-R151 WeakPolarHBondContact O-CB 3.38Å; G138-R151 WeakPolarHBondContact O-CD 3.48Å; G138-R151 VanDerWaalsContact O-CZ 3.26Å; G138-R151 PolarHBondContact O-NE 2.58Å; G138-R151 PolarHBondContact O-NH1 3.15Å; G138-R152 CarbonylContact C-O 3.25Å; G138-R152 WeakPolarHBondContact CA-O 3.32Å
139D97.6Very high94.2Very high0 Ų053 Ų530%030%0.298CS..  trans-97.8-6.9-177.460-54.7000113.2S141 R151 R152 G153 L154 G156 M188 G189 T190D139-S141 PolarHBondContact O-N 2.91Å; D139-R151 PolarHBondContact O-NH2 3.3Å; D139-R152 PolarHBondContact N-O 2.79Å; D139-G153 WeakPolarHBondContact OD1-CA 3.48Å; D139-L154 PolarHBondContact OD1-N 2.86Å; D139-G156 VanDerWaalsContact OD2-CA 3.26Å; D139-G156 WeakPolarHBondContact OD2-CA 3.43Å; D139-G156 PolarHBondContact OD2-N 3Å; D139-M188 HydrophobicContact CB-CE 3.88Å; D139-M188 HydrophobicContact CB-CG 4.07Å; D139-M188 HydrophobicContact CB-SD 4.11Å; D139-G189 CarbonylContact O-C 3.58Å; D139-G189 WeakPolarHBondContact O-CA 3.28Å; D139-T190 PolarHBondContact O-N 3.07Å; D139-T190 WeakPolarHBondContact OD2-CB 3.31Å; D139-T190 PolarHBondContact OD2-OG1 3.26Å
140D97.4Very high93.9Very high0 Ų051.3 Ų51.30%028%0.282CS..BIsolated β-bridgetrans-62.3124.6178.4-176.613.4000113.3A142 F143 R151 R152 L154 T190D140-A142 WeakPolarHBondContact OD1-CB 3.43Å; D140-A142 PolarHBondContact OD1-N 3.1Å; D140-F143 WeakPolarHBondContact OD2-CE2 3.32Å; D140-R151 HydrophobicContact CB-CB 4.46Å; D140-R151 WeakPolarHBondContact O-CB 3.15Å; D140-R151 WeakPolarHBondContact O-CG 3.44Å; D140-R151 PolarHBondContact O-NE 3.03Å; D140-R152 HydrophobicContact CB-CB 3.83Å; D140-R152 WeakPolarHBondContact CB-O 3.25Å; D140-R152 PolarHBondContact N-O 3.27Å; D140-R152 IonicContact OD1-NH2 2.9Å; D140-R152 IonicContact OD2-CZ 2.68Å; D140-R152 IonicContact OD2-NE 3.83Å; D140-R152 PolarHBondContact OD2-NE 3.19Å; D140-R152 IonicContact OD2-NH2 3.15Å; D140-R152 PolarHBondContact OD2-NH2 3.45Å; D140-L154 HydrophobicContact CB-CD1 3.63Å; D140-L154 HydrophobicContact CB-CG 3.95Å; D140-T190 CarbonylContact C-O 3.59Å; D140-T190 WeakPolarHBondContact CA-O 3.38Å
141S96.9Very high93.7Very high0 Ų051.9 Ų51.90%028%0.282CS..  trans-101.410.6-178.7-71.20000113.5D139 F143 R151 G189 T190 H244 N250 S252D139-S141 PolarHBondContact O-N 2.91Å; S141-F143 PolarHBondContact O-N 3.42Å; S141-R151 PolarHBondContact OG-NH2 3.34Å; S141-G189 WeakPolarHBondContact OG-CA 3.42Å; S141-T190 PolarHBondContact N-O 2.64Å; S141-H244 PolarHBondContact O-CD2 3.46Å; S141-H244 VanDerWaalsContact O-CD2 3.28Å; S141-H244 PolarHBondContact O-NE2 2.94Å; S141-H244 VanDerWaalsContact O-NE2 3.11Å; S141-N250 PolarHBondContact O-ND2 3.45Å; S141-S252 VanDerWaalsContact CB-O 3.32Å; S141-S252 WeakPolarHBondContact CB-O 3.4Å; S141-S252 PolarHBondContact OG-O 3.09Å
142A94.6Very high93.6Very high1 Ų149.5 Ų49.51%0.00826%0.264CS..  trans-65.1-37-18000000113.8D140 T144 L191 V226 H244D140-A142 WeakPolarHBondContact OD1-CB 3.43Å; D140-A142 PolarHBondContact OD1-N 3.1Å; A142-T144 PolarHBondContact O-N 2.87Å; A142-L191 HydrophobicContact CB-CD1 3.78Å; A142-V226 HydrophobicContact CB-CG1 3.75Å; A142-V226 HydrophobicContact CB-CG2 4.21Å; A142-H244 PolarHBondContact O-CE1 3.49Å; A142-H244 PolarHBondContact O-NE2 3.29Å
143F90.8Very high93.5Very high60 Ų6049.4 Ų49.426%0.26326%0.263SS..  trans-86.6114.7-167-55.6-72.6000113.9D140 S141 V145 L146 R152 V226 N250 S252D140-F143 WeakPolarHBondContact OD2-CE2 3.32Å; S141-F143 PolarHBondContact O-N 3.42Å; F143-V145 VanDerWaalsContact C-N 3.32Å; F143-L146 HydrophobicContact CB-CD2 4.17Å; F143-R152 HydrophobicContact CE2-CG 4.2Å; F143-R152 HydrophobicContact CZ-CG 4.44Å; F143-V226 HydrophobicContact CD1-CG1 4.14Å; F143-V226 HydrophobicContact CE1-CG1 4.32Å; F143-N250 PolarHBondContact O-OD1 3Å; F143-S252 WeakPolarHBondContact O-CB 3.26Å; F143-S252 PolarHBondContact O-OG 3.46Å
144T85.7Confident93.5Very high80 Ų8047 Ų4749%0.49125%0.252SS..SBendtrans-72.4-24.1173.255.80000113.4A142 N250 A251A142-T144 PolarHBondContact O-N 2.87Å; T144-N250 WeakPolarHBondContact CA-OD1 3.32Å; T144-N250 HydrophobicContact CG2-CB 4.48Å; T144-A251 VanDerWaalsContact O-CB 3.24Å; T144-A251 WeakPolarHBondContact O-CB 3.44Å; T144-A251 PolarHBondContact O-N 3.41Å
145V85.3Confident93.5Very high113 Ų11345.7 Ų45.769%0.68525%0.246SC*.SBendtrans-129.9125.5173.9-177.70000109.5F143F143-V145 VanDerWaalsContact C-N 3.32Å
146L83.9Confident93.5Very high79 Ų7945.7 Ų45.741%0.41425%0.246SC..  trans-86.5127.2-178.8-66.8177.1000111.9F143 R151 A251 S252F143-L146 HydrophobicContact CB-CD2 4.17Å; L146-R151 HydrophobicContact CD2-CG 3.73Å; L146-A251 HydrophobicContact CD1-CB 4.41Å; L146-A251 HydrophobicContact CG-CB 4.12Å; L146-S252 WeakPolarHBondContact CD2-OG 3.3Å
147K87.3Confident93.5Very high183 Ų18343 Ų4380%0.79623%0.229SC*.  trans-89.5174.8167.4-62.9-176.9-177.9177.30110.2A149 G150K147-A149 PolarHBondContact O-N 3.31Å; K147-G150 PolarHBondContact O-N 3.24Å
148K87.1Confident93.5Very high218 Ų21843 Ų4395%0.94823%0.229SC*.THydrogen-bonded Turntrans-53.3-28178.9-67-174.6178.6-179.10114.7G150K148-G150 VanDerWaalsContact C-N 3.29Å; K148-G150 PolarHBondContact O-N 2.69Å
149A87.1Confident93.6Very high57 Ų5742.2 Ų42.247%0.47122%0.221SC..THydrogen-bonded Turntrans-69.8-24.3177.800000113.2N110 R115 K147N110-A149 PolarHBondContact ND2-O 3.47Å; N110-A149 PolarHBondContact OD1-O 3.18Å; R115-A149 PolarHBondContact NH1-O 2.92Å; K147-A149 PolarHBondContact O-N 3.31Å
150G91.9Very high93.6Very high29 Ų2942.2 Ų42.230%0.29922%0.221SC..  trans75-163-175.500000113.7K147 K148K147-G150 PolarHBondContact O-N 3.24Å; K148-G150 VanDerWaalsContact C-N 3.29Å; K148-G150 PolarHBondContact O-N 2.69Å
151R94.9Very high93.7Very high38 Ų3842.2 Ų42.214%0.14322%0.221CC..SBendtrans-77.6138.5179.1-62.9166.968.3-167.84.3110.8N110 G138 D139 D140 S141 L146 M188N110-R151 VanDerWaalsContact CB-O 3.23Å; N110-R151 WeakPolarHBondContact CB-O 3.36Å; N110-R151 PolarHBondContact ND2-O 3.37Å; G138-R151 WeakPolarHBondContact CA-O 3.33Å; G138-R151 WeakPolarHBondContact O-CB 3.38Å; G138-R151 WeakPolarHBondContact O-CD 3.48Å; G138-R151 VanDerWaalsContact O-CZ 3.26Å; G138-R151 PolarHBondContact O-NE 2.58Å; G138-R151 PolarHBondContact O-NH1 3.15Å; D139-R151 PolarHBondContact O-NH2 3.3Å; D140-R151 HydrophobicContact CB-CB 4.46Å; D140-R151 WeakPolarHBondContact O-CB 3.15Å; D140-R151 WeakPolarHBondContact O-CG 3.44Å; D140-R151 PolarHBondContact O-NE 3.03Å; S141-R151 PolarHBondContact OG-NH2 3.34Å; L146-R151 HydrophobicContact CD2-CG 3.73Å; R151-M188 PolarHBondContact NH2-O 2.65Å
152R96.6Very high93.8Very high23 Ų2342.2 Ų42.29%0.08722%0.221CC..  trans-63.7153.1173.5-67.7172.4-67.5-160.5-2.9110.8Y111 G138 D139 D140 F143 L154 G217Y111-R152 HydrophobicContact CE1-CB 4.42Å; Y111-R152 HydrophobicContact CE1-CG 4.06Å; G138-R152 CarbonylContact C-O 3.25Å; G138-R152 WeakPolarHBondContact CA-O 3.32Å; D139-R152 PolarHBondContact N-O 2.79Å; D140-R152 HydrophobicContact CB-CB 3.83Å; D140-R152 WeakPolarHBondContact CB-O 3.25Å; D140-R152 PolarHBondContact N-O 3.27Å; D140-R152 IonicContact OD1-NH2 2.9Å; D140-R152 IonicContact OD2-CZ 2.68Å; D140-R152 IonicContact OD2-NE 3.83Å; D140-R152 PolarHBondContact OD2-NE 3.19Å; D140-R152 IonicContact OD2-NH2 3.15Å; D140-R152 PolarHBondContact OD2-NH2 3.45Å; F143-R152 HydrophobicContact CE2-CG 4.2Å; F143-R152 HydrophobicContact CZ-CG 4.44Å; R152-L154 HydrophobicContact CB-CD2 4.17Å; R152-L154 HydrophobicContact CB-CG 4.44Å; R152-G217 PolarHBondContact NH2-O 3.13Å
153G97.5Very high94Very high0 Ų042.2 Ų42.20%022%0.22CC..  trans-92.8114.9171.700000111.1Y111 I137 D139Y111-G153 VanDerWaalsContact CE2-O 3.31Å; Y111-G153 WeakPolarHBondContact CE2-O 3.47Å; I137-G153 WeakPolarHBondContact O-CA 3.45Å; D139-G153 WeakPolarHBondContact OD1-CA 3.48Å
154L97.9Very high94.4Very high4 Ų439.3 Ų39.32%0.02121%0.208CC..  trans-119.6-150.4-175.5-53.6-178.1000110.2D139 D140 R152 G156 T157 T190 I220 M304D139-L154 PolarHBondContact OD1-N 2.86Å; D140-L154 HydrophobicContact CB-CD1 3.63Å; D140-L154 HydrophobicContact CB-CG 3.95Å; R152-L154 HydrophobicContact CB-CD2 4.17Å; R152-L154 HydrophobicContact CB-CG 4.44Å; L154-G156 PolarHBondContact O-N 3.37Å; L154-G156 VanDerWaalsContact O-N 3.16Å; L154-T157 VanDerWaalsContact O-CB 3.25Å; L154-T157 WeakPolarHBondContact O-CB 3.34Å; L154-T157 PolarHBondContact O-N 2.63Å; L154-T157 PolarHBondContact O-OG1 3.43Å; L154-T190 HydrophobicContact CB-CG2 3.93Å; L154-T190 HydrophobicContact CD1-CG2 4.06Å; L154-I220 HydrophobicContact CD2-CB 4.48Å; L154-I220 HydrophobicContact CD2-CG1 4.1Å; L154-I220 HydrophobicContact CD2-CG2 3.9Å; L154-M304 VanDerWaalsContact O-CE 3.28Å; L154-M304 WeakPolarHBondContact O-CE 3.44Å
155C98.3Very high95Very high1 Ų135.6 Ų35.61%0.00719%0.185CC..THydrogen-bonded Turntrans-61.6-25-168.3-161.10000114.4T157 V158 T190 M265 N267 M304C155-T157 PolarHBondContact O-N 2.91Å; C155-T157 VanDerWaalsContact O-N 3.09Å; C155-V158 WeakPolarHBondContact O-CB 3.44Å; C155-V158 PolarHBondContact O-N 2.94Å; C155-T190 HydrophobicContact CB-CG2 4.4Å; C155-M265 HydrophobicContact CB-SD 4.48Å; C155-M265 PolarHBondContact SG-SD 3.06Å; C155-N267 HydrophobicContact CB-CB 4.19Å; C155-N267 VanDerWaalsContact SG-CB 3.5Å; C155-M304 HydrophobicContact CB-CB 4.17Å
156G98.3Very high95.6Very high0 Ų030.6 Ų30.60%016%0.156CC..Hα-helixtrans-59.9-20.7174.600000113.4D139 L154 V158 L159 I160D139-G156 VanDerWaalsContact OD2-CA 3.26Å; D139-G156 WeakPolarHBondContact OD2-CA 3.43Å; D139-G156 PolarHBondContact OD2-N 3Å; L154-G156 PolarHBondContact O-N 3.37Å; L154-G156 VanDerWaalsContact O-N 3.16Å; G156-V158 PolarHBondContact O-N 3.38Å; G156-L159 WeakPolarHBondContact O-CB 3.45Å; G156-L159 PolarHBondContact O-N 3.36Å; G156-I160 PolarHBondContact O-N 3.2Å
157T98.8Very high96.3Very high0 Ų027 Ų270%014%0.137CC..Hα-helixtrans-54-34.1171-52.70000112.6I107 K109 I137 L154 C155 L159 I160 H161I107-T157 HydrophobicContact CG2-CG2 4.19Å; K109-T157 HydrophobicContact CG-CG2 4.14Å; I137-T157 HydrophobicContact CB-CG2 4.48Å; I137-T157 HydrophobicContact CG1-CG2 4.25Å; I137-T157 WeakPolarHBondContact CG2-OG1 3.5Å; L154-T157 VanDerWaalsContact O-CB 3.25Å; L154-T157 WeakPolarHBondContact O-CB 3.34Å; L154-T157 PolarHBondContact O-N 2.63Å; L154-T157 PolarHBondContact O-OG1 3.43Å; C155-T157 PolarHBondContact O-N 2.91Å; C155-T157 VanDerWaalsContact O-N 3.09Å; T157-L159 PolarHBondContact O-N 3.01Å; T157-I160 WeakPolarHBondContact O-CB 3.47Å; T157-I160 PolarHBondContact O-N 3.29Å; T157-I160 VanDerWaalsContact O-N 3.12Å; T157-H161 PolarHBondContact O-N 2.95Å
158V98.8Very high96.9Very high0 Ų018.5 Ų18.50%010%0.101CC..Hα-helixtrans-66.6-37178.8179.80000111.6F66 M71 C155 G156 I160 H161 K162 F303 M304 W336F66-V158 HydrophobicContact CD1-CG1 3.94Å; F66-V158 HydrophobicContact CD2-CG1 4.2Å; F66-V158 HydrophobicContact CD2-CG2 4.25Å; F66-V158 HydrophobicContact CE1-CG1 3.49Å; F66-V158 VanDerWaalsContact CE1-CG1 3.49Å; F66-V158 HydrophobicContact CE2-CB 4.39Å; F66-V158 HydrophobicContact CE2-CG1 3.79Å; F66-V158 HydrophobicContact CE2-CG2 3.64Å; F66-V158 HydrophobicContact CG-CG1 4.27Å; F66-V158 HydrophobicContact CZ-CB 4.36Å; F66-V158 HydrophobicContact CZ-CG1 3.42Å; F66-V158 VanDerWaalsContact CZ-CG1 3.42Å; F66-V158 HydrophobicContact CZ-CG2 3.95Å; M71-V158 HydrophobicContact CE-CG1 4.43Å; C155-V158 WeakPolarHBondContact O-CB 3.44Å; C155-V158 PolarHBondContact O-N 2.94Å; G156-V158 PolarHBondContact O-N 3.38Å; V158-I160 VanDerWaalsContact C-N 3.26Å; V158-I160 PolarHBondContact O-N 2.97Å; V158-H161 WeakPolarHBondContact O-CB 3.43Å; V158-H161 PolarHBondContact O-N 3.28Å; V158-K162 PolarHBondContact O-N 3.47Å; V158-K162 VanDerWaalsContact O-N 3.15Å; V158-F303 HydrophobicContact CG2-CB 4.4Å; V158-M304 HydrophobicContact CG2-CE 4.31Å; V158-W336 HydrophobicContact CG1-CE3 4.37Å; V158-W336 HydrophobicContact CG1-CZ3 4.11Å
159L98.7Very high97.4Very high0 Ų010 Ų100%06%0.064CC..Hα-helixtrans-64.9-34.2173.4-64.4175.4000111.1G156 T157 K162 V163 V263 M265 L299 T315 L317 I327 W336G156-L159 WeakPolarHBondContact O-CB 3.45Å; G156-L159 PolarHBondContact O-N 3.36Å; T157-L159 PolarHBondContact O-N 3.01Å; L159-K162 WeakPolarHBondContact O-CB 3.4Å; L159-K162 PolarHBondContact O-N 3.24Å; L159-V163 WeakPolarHBondContact O-CG2 3.5Å; L159-V163 PolarHBondContact O-N 2.86Å; L159-V263 HydrophobicContact CD2-CG1 4.21Å; L159-M265 HydrophobicContact CD2-CE 3.67Å; L159-M265 HydrophobicContact CG-CE 3.87Å; L159-L299 HydrophobicContact CD2-CD1 3.8Å; L159-T315 HydrophobicContact CD1-CG2 4.05Å; L159-L317 HydrophobicContact CB-CD2 4.3Å; L159-L317 HydrophobicContact CD1-CB 3.82Å; L159-L317 HydrophobicContact CD1-CD2 3.94Å; L159-I327 HydrophobicContact CD2-CD1 4.24Å; L159-W336 HydrophobicContact CD2-CH2 4.01Å; L159-W336 HydrophobicContact CD2-CZ3 4.48Å
160I98.8Very high97.9Very high0 Ų010.8 Ų10.80%07%0.071CC..Hα-helixtrans-68.5-39.1175.2-62.7-57.4000111.9I107 I137 G156 T157 V158 K162 V163 A164 V181 V184 A185 M188I107-I160 HydrophobicContact CD1-CG2 4.4Å; I107-I160 HydrophobicContact CG2-CG2 3.96Å; I137-I160 HydrophobicContact CD1-CB 4.36Å; I137-I160 HydrophobicContact CD1-CG1 4.07Å; I137-I160 HydrophobicContact CD1-CG2 3.92Å; I137-I160 HydrophobicContact CG1-CG2 4.45Å; I137-I160 HydrophobicContact CG2-CG1 4.49Å; G156-I160 PolarHBondContact O-N 3.2Å; T157-I160 WeakPolarHBondContact O-CB 3.47Å; T157-I160 PolarHBondContact O-N 3.29Å; T157-I160 VanDerWaalsContact O-N 3.12Å; V158-I160 VanDerWaalsContact C-N 3.26Å; V158-I160 PolarHBondContact O-N 2.97Å; I160-K162 PolarHBondContact O-N 2.92Å; I160-V163 PolarHBondContact O-N 2.69Å; I160-A164 VanDerWaalsContact O-CB 3.22Å; I160-A164 WeakPolarHBondContact O-CB 3.39Å; I160-A164 PolarHBondContact O-N 3.42Å; I160-V181 HydrophobicContact CD1-CG1 4.39Å; I160-V181 HydrophobicContact CG2-CG1 3.34Å; I160-V184 HydrophobicContact CD1-CB 4.2Å; I160-V184 HydrophobicContact CD1-CG1 3.74Å; I160-A185 HydrophobicContact CD1-CB 4.06Å; I160-A185 HydrophobicContact CG1-CB 4.47Å; I160-M188 HydrophobicContact CD1-CE 3.86Å; I160-M188 HydrophobicContact CD1-SD 4.49Å; I160-M188 HydrophobicContact CG1-CE 3.46Å; I160-M188 VanDerWaalsContact CG1-CE 3.46Å; I160-M188 HydrophobicContact CG1-SD 4.37Å
161H98.9Very high98.1Very high0 Ų012 Ų120%08%0.084CC..Hα-helixtrans-56.3-41.9170.9-57150.6000111.2S53 H63 M71 L72 T157 V158 G165S53-H161 PolarHBondContact OG-NE2 3.08Å; S53-H161 VanDerWaalsContact OG-NE2 3.1Å; H63-H161 AromaticContact CE1-CE1 3.83Å; H63-H161 AromaticContact ND1-CE1 3.06Å; H63-H161 PolarHBondContact ND1-CE1 2.92Å; H63-H161 AromaticContact ND1-NE2 3.42Å; H63-H161 PolarHBondContact ND1-NE2 3.27Å; M71-H161 HydrophobicContact CE-CB 3.74Å; L72-H161 HydrophobicContact CD2-CB 4.24Å; L72-H161 HydrophobicContact CG-CB 4.14Å; T157-H161 PolarHBondContact O-N 2.95Å; V158-H161 WeakPolarHBondContact O-CB 3.43Å; V158-H161 PolarHBondContact O-N 3.28Å; H161-G165 PolarHBondContact O-N 3Å
162K98.8Very high98.3Very high0 Ų011.9 Ų11.90%09%0.087CC..Hα-helixtrans-64.7-49.7179.7-177.863.3-169.71580112.5M71 V158 L159 I160 G165 A166 L326 I327 A329 E330 W336M71-K162 HydrophobicContact CE-CB 4.08Å; M71-K162 HydrophobicContact CG-CD 4.04Å; M71-K162 HydrophobicContact SD-CD 4.24Å; V158-K162 PolarHBondContact O-N 3.47Å; V158-K162 VanDerWaalsContact O-N 3.15Å; L159-K162 WeakPolarHBondContact O-CB 3.4Å; L159-K162 PolarHBondContact O-N 3.24Å; I160-K162 PolarHBondContact O-N 2.92Å; K162-G165 PolarHBondContact O-N 3.43Å; K162-A166 WeakPolarHBondContact O-CB 3.15Å; K162-A166 PolarHBondContact O-N 2.98Å; K162-L326 WeakPolarHBondContact CE-O 3.31Å; K162-I327 WeakPolarHBondContact CE-O 3.42Å; K162-I327 HydrophobicContact CG-CD1 4.24Å; K162-A329 WeakPolarHBondContact CE-O 3.48Å; K162-A329 PolarHBondContact NZ-O 3.09Å; K162-E330 PolarHBondContact NZ-O 3.08Å; K162-W336 HydrophobicContact CB-CE3 4.42Å; K162-W336 HydrophobicContact CB-CH2 3.71Å; K162-W336 HydrophobicContact CB-CZ2 4.23Å; K162-W336 HydrophobicContact CB-CZ3 3.81Å; K162-W336 HydrophobicContact CD-CD2 4.13Å; K162-W336 HydrophobicContact CD-CE3 4.44Å; K162-W336 HydrophobicContact CD-CH2 4.16Å; K162-W336 HydrophobicContact CD-CZ2 3.82Å; K162-W336 HydrophobicContact CD-CZ3 4.45Å; K162-W336 HydrophobicContact CG-CH2 3.62Å; K162-W336 HydrophobicContact CG-CZ2 3.63Å; K162-W336 HydrophobicContact CG-CZ3 4.14Å
163V98.8Very high98.4Very high1 Ų112.8 Ų12.81%0.00610%0.103CC..Hα-helixtrans-63.8-48-179.6171.40000110.9L159 I160 G165 A166 L167 V184 L323 L326 I327L159-V163 WeakPolarHBondContact O-CG2 3.5Å; L159-V163 PolarHBondContact O-N 2.86Å; I160-V163 PolarHBondContact O-N 2.69Å; V163-G165 VanDerWaalsContact C-N 3.34Å; V163-G165 PolarHBondContact O-N 3.08Å; V163-A166 PolarHBondContact O-N 3.45Å; V163-L167 HydrophobicContact CG1-CD1 4.14Å; V163-L167 VanDerWaalsContact O-CG 3.26Å; V163-L167 WeakPolarHBondContact O-CG 3.34Å; V163-L167 PolarHBondContact O-N 3.45Å; V163-L167 VanDerWaalsContact O-N 3.14Å; V163-V184 HydrophobicContact CG1-CG2 4.35Å; V163-V184 HydrophobicContact CG2-CG1 4.4Å; V163-L323 HydrophobicContact CG1-CD1 4.09Å; V163-L323 HydrophobicContact CG2-CD1 3.61Å; V163-L326 HydrophobicContact CG1-CD1 3.97Å; V163-I327 HydrophobicContact CG2-CD1 3.71Å
164A98.8Very high98.4Very high0 Ų013.8 Ų13.80%011%0.109CC..Hα-helixtrans-62.1-43.5178.200000111.3L51 L105 I107 I160 L167 A168 I177 V181L51-A164 HydrophobicContact CD1-CB 3.76Å; L51-A164 HydrophobicContact CD2-CB 4.24Å; L105-A164 HydrophobicContact CD2-CB 4.49Å; I107-A164 HydrophobicContact CD1-CB 3.83Å; I160-A164 VanDerWaalsContact O-CB 3.22Å; I160-A164 WeakPolarHBondContact O-CB 3.39Å; I160-A164 PolarHBondContact O-N 3.42Å; A164-L167 PolarHBondContact O-N 3.04Å; A164-A168 WeakPolarHBondContact O-CB 3.35Å; A164-A168 PolarHBondContact O-N 3.1Å; A164-I177 HydrophobicContact CB-CG2 4.28Å; A164-V181 HydrophobicContact CB-CG2 3.88Å
165G98.8Very high98.5Very high1 Ų121.3 Ų21.31%0.0114%0.144CC..Hα-helixtrans-61-46.5178.600000112.9L51 G70 H161 K162 V163 L167 A168 E169L51-G165 VanDerWaalsContact CD1-N 3.26Å; G70-G165 CarbonylContact O-C 3.48Å; G70-G165 WeakPolarHBondContact O-CA 3.39Å; H161-G165 PolarHBondContact O-N 3Å; K162-G165 PolarHBondContact O-N 3.43Å; V163-G165 VanDerWaalsContact C-N 3.34Å; V163-G165 PolarHBondContact O-N 3.08Å; G165-L167 VanDerWaalsContact C-N 3.3Å; G165-L167 PolarHBondContact O-N 3.45Å; G165-A168 PolarHBondContact O-N 3.38Å; G165-E169 WeakPolarHBondContact O-CG 3.36Å; G165-E169 PolarHBondContact O-N 2.95Å
166A98.6Very high98.5Very high8 Ų825.1 Ų25.17%0.06616%0.162CC..Hα-helixtrans-60.5-39.2175.700000112.2G70 K162 V163 A170 L326 A329G70-A166 PolarHBondContact O-N 3.29Å; K162-A166 WeakPolarHBondContact O-CB 3.15Å; K162-A166 PolarHBondContact O-N 2.98Å; V163-A166 PolarHBondContact O-N 3.45Å; A166-A170 WeakPolarHBondContact O-CB 3.49Å; A166-A170 PolarHBondContact O-N 3.49Å; A166-L326 HydrophobicContact CB-CB 4.02Å; A166-L326 HydrophobicContact CB-CD2 3.82Å; A166-L326 WeakPolarHBondContact CB-O 3.42Å; A166-A329 HydrophobicContact CB-CB 3.8Å
167L98.8Very high98.5Very high3 Ų325.1 Ų25.12%0.01616%0.162CC..Hα-helixtrans-68.5-42.7176.5-66.1169.4000112.6V163 A164 G165 E169 A170 G171 V172 I177 R180 L326V163-L167 HydrophobicContact CG1-CD1 4.14Å; V163-L167 VanDerWaalsContact O-CG 3.26Å; V163-L167 WeakPolarHBondContact O-CG 3.34Å; V163-L167 PolarHBondContact O-N 3.45Å; V163-L167 VanDerWaalsContact O-N 3.14Å; A164-L167 PolarHBondContact O-N 3.04Å; G165-L167 VanDerWaalsContact C-N 3.3Å; G165-L167 PolarHBondContact O-N 3.45Å; L167-E169 VanDerWaalsContact C-N 3.34Å; L167-A170 CarbonylContact O-C 3.53Å; L167-A170 PolarHBondContact O-N 2.84Å; L167-G171 PolarHBondContact O-N 3.42Å; L167-V172 HydrophobicContact CB-CB 4.25Å; L167-V172 HydrophobicContact CB-CG2 4.28Å; L167-V172 HydrophobicContact CD2-CG2 4.09Å; L167-V172 WeakPolarHBondContact O-CB 3.36Å; L167-V172 WeakPolarHBondContact O-CG2 3.48Å; L167-V172 PolarHBondContact O-N 3.34Å; L167-V172 VanDerWaalsContact O-N 3.07Å; L167-I177 HydrophobicContact CB-CD1 4.11Å; L167-I177 HydrophobicContact CB-CG1 3.89Å; L167-I177 HydrophobicContact CD1-CG2 4.43Å; L167-R180 HydrophobicContact CD1-CB 4.2Å; L167-R180 VanDerWaalsContact CD2-CZ 3.43Å; L167-L326 HydrophobicContact CD1-CD1 4.42Å; L167-L326 HydrophobicContact CD2-CD1 3.87Å; L167-L326 HydrophobicContact CD2-CD2 3.89Å; L167-L326 HydrophobicContact CG-CD1 4.05Å; L167-L326 HydrophobicContact CG-CD2 4.24Å
168A98.5Very high98.5Very high5 Ų525.9 Ų25.94%0.04117%0.166CC..Hα-helixtrans-63-41.4176.800000111.3V49 L51 A164 G165 A170 G171 I177V49-A168 HydrophobicContact CB-CB 4.48Å; L51-A168 HydrophobicContact CD1-CB 4.03Å; L51-A168 HydrophobicContact CD2-CB 4.47Å; L51-A168 HydrophobicContact CG-CB 4.23Å; A164-A168 WeakPolarHBondContact O-CB 3.35Å; A164-A168 PolarHBondContact O-N 3.1Å; G165-A168 PolarHBondContact O-N 3.38Å; A168-A170 VanDerWaalsContact C-N 3.28Å; A168-A170 PolarHBondContact O-N 3.29Å; A168-G171 PolarHBondContact O-N 3.1Å; A168-I177 HydrophobicContact CB-CD1 3.99Å
169E97.8Very high98.5Very high39 Ų3932.3 Ų32.318%0.18219%0.194CC..Hα-helixtrans-68.3-27.6175.5-69.5-58.6160.500113.3R39 R48 K69 G70 G165 L167 G171R39-E169 IonicContact NH1-OE1 3.16Å; R39-E169 PolarHBondContact NH1-OE1 3.28Å; R39-E169 VanDerWaalsContact NH1-OE1 3.09Å; R48-E169 IonicContact CZ-OE2 3.54Å; R48-E169 PolarHBondContact NH1-O 3.26Å; R48-E169 IonicContact NH1-OE2 2.75Å; R48-E169 PolarHBondContact NH1-OE2 3.5Å; K69-E169 VanDerWaalsContact CG-CD 3.49Å; K69-E169 HydrophobicContact CG-CG 4.18Å; K69-E169 VanDerWaalsContact CG-OE1 3.3Å; K69-E169 WeakPolarHBondContact CG-OE1 3.13Å; G70-E169 VanDerWaalsContact CA-CG 3.46Å; G70-E169 VanDerWaalsContact N-CG 3.26Å; G70-E169 PolarHBondContact N-OE1 2.86Å; G165-E169 WeakPolarHBondContact O-CG 3.36Å; G165-E169 PolarHBondContact O-N 2.95Å; L167-E169 VanDerWaalsContact C-N 3.34Å; E169-G171 PolarHBondContact O-N 3.38Å
170A97.3Very high98.5Very high75 Ų7536.3 Ų36.362%0.6221%0.209SC*.THydrogen-bonded Turntrans-77.30.6171.600000113.4A166 L167 A168 V172A166-A170 WeakPolarHBondContact O-CB 3.49Å; A166-A170 PolarHBondContact O-N 3.49Å; L167-A170 CarbonylContact O-C 3.53Å; L167-A170 PolarHBondContact O-N 2.84Å; A168-A170 VanDerWaalsContact C-N 3.28Å; A168-A170 PolarHBondContact O-N 3.29Å; A170-V172 HydrophobicContact CB-CG2 4.34Å
171G97.4Very high98.4Very high54 Ų5436.3 Ų36.356%0.55721%0.209SC*.THydrogen-bonded Turntrans76.819.1177.900000114.4L167 A168 E169L167-G171 PolarHBondContact O-N 3.42Å; A168-G171 PolarHBondContact O-N 3.1Å; E169-G171 PolarHBondContact O-N 3.38Å
172V98.4Very high98.4Very high35 Ų3539.1 Ų39.121%0.21222%0.224CC..  trans-69.3137.6177.3-176.80000109.9L167 A170 E176 I177L167-V172 HydrophobicContact CB-CB 4.25Å; L167-V172 HydrophobicContact CB-CG2 4.28Å; L167-V172 HydrophobicContact CD2-CG2 4.09Å; L167-V172 WeakPolarHBondContact O-CB 3.36Å; L167-V172 WeakPolarHBondContact O-CG2 3.48Å; L167-V172 PolarHBondContact O-N 3.34Å; L167-V172 VanDerWaalsContact O-N 3.07Å; A170-V172 HydrophobicContact CB-CG2 4.34Å; V172-E176 HydrophobicContact CG1-CB 3.8Å; V172-E176 HydrophobicContact CG1-CG 3.74Å; V172-I177 HydrophobicContact CB-CD1 4.27Å; V172-I177 HydrophobicContact CB-CG1 3.86Å; V172-I177 HydrophobicContact CG1-CG1 3.75Å; V172-I177 VanDerWaalsContact O-CD1 3.25Å; V172-I177 WeakPolarHBondContact O-CD1 3.37Å
173G98.3Very high98.3Very high42 Ų4243.9 Ų43.943%0.43325%0.253SS..  trans-70.3156.4-179.200000114E175 E176 I177G173-E175 PolarHBondContact O-N 3.46Å; G173-E176 PolarHBondContact O-N 2.99Å; G173-I177 WeakPolarHBondContact O-CG1 3.34Å; G173-I177 PolarHBondContact O-N 3.23Å
174L98.7Very high98.2Very high21 Ų2144.7 Ų44.711%0.1126%0.258CS..Hα-helixtrans-52.9-46.4-172.3179.462000113.8V49 L105 P131 E133 I177 T178V49-L174 HydrophobicContact CG1-CD1 3.76Å; V49-L174 HydrophobicContact CG2-CB 4.01Å; L105-L174 HydrophobicContact CB-CD1 3.79Å; P131-L174 HydrophobicContact CB-CD2 4.32Å; E133-L174 HydrophobicContact CB-CD1 3.98Å; E133-L174 HydrophobicContact CB-CD2 4.16Å; E133-L174 HydrophobicContact CB-CG 4.01Å; E133-L174 HydrophobicContact CG-CD1 4.36Å; E133-L174 HydrophobicContact CG-CD2 3.85Å; E133-L174 HydrophobicContact CG-CG 3.82Å; L174-I177 PolarHBondContact O-N 2.93Å; L174-T178 WeakPolarHBondContact O-CB 3.36Å; L174-T178 PolarHBondContact O-N 3.39Å; L174-T178 PolarHBondContact O-OG1 3.07Å
175E98.4Very high98.1Very high162 Ų16245.1 Ų45.176%0.75726%0.262SS*.Hα-helixtrans-63-44.2-178.5-66178.5-178.500111.9G173 T178 K179G173-E175 PolarHBondContact O-N 3.46Å; E175-T178 WeakPolarHBondContact O-CB 3.29Å; E175-T178 PolarHBondContact O-N 3.39Å; E175-K179 WeakPolarHBondContact O-CB 3.21Å; E175-K179 PolarHBondContact O-N 3.27Å
176E98.4Very high97.9Very high82 Ų8252.9 Ų52.938%0.38330%0.295SS..Hα-helixtrans-71.8-38.1-179.1-177.658.4-161.400111.5V172 G173 T178 K179 R180V172-E176 HydrophobicContact CG1-CB 3.8Å; V172-E176 HydrophobicContact CG1-CG 3.74Å; G173-E176 PolarHBondContact O-N 2.99Å; E176-T178 VanDerWaalsContact C-N 3.33Å; E176-T178 PolarHBondContact O-N 3.11Å; E176-K179 PolarHBondContact O-N 2.85Å; E176-R180 HydrophobicContact CG-CG 4.43Å; E176-R180 WeakPolarHBondContact O-CB 3.44Å; E176-R180 VanDerWaalsContact O-CG 3.31Å; E176-R180 WeakPolarHBondContact O-CG 3.39Å; E176-R180 PolarHBondContact O-N 2.95Å; E176-R180 VanDerWaalsContact OE1-CD 3.27Å; E176-R180 WeakPolarHBondContact OE1-CD 3.42Å; E176-R180 VanDerWaalsContact OE1-CG 3.29Å; E176-R180 WeakPolarHBondContact OE1-CG 3.37Å
177I98.7Very high97.8Very high0 Ų053.8 Ų53.80%030%0.302CS..Hα-helixtrans-58.4-49.1170.7-62.4-177.8000109.7V49 L105 A164 L167 A168 V172 G173 L174 K179 R180 V181V49-I177 HydrophobicContact CB-CD1 4.07Å; V49-I177 HydrophobicContact CG1-CD1 4.24Å; V49-I177 HydrophobicContact CG2-CD1 4.14Å; L105-I177 HydrophobicContact CD2-CG2 3.57Å; A164-I177 HydrophobicContact CB-CG2 4.28Å; L167-I177 HydrophobicContact CB-CD1 4.11Å; L167-I177 HydrophobicContact CB-CG1 3.89Å; L167-I177 HydrophobicContact CD1-CG2 4.43Å; A168-I177 HydrophobicContact CB-CD1 3.99Å; V172-I177 HydrophobicContact CB-CD1 4.27Å; V172-I177 HydrophobicContact CB-CG1 3.86Å; V172-I177 HydrophobicContact CG1-CG1 3.75Å; V172-I177 VanDerWaalsContact O-CD1 3.25Å; V172-I177 WeakPolarHBondContact O-CD1 3.37Å; G173-I177 WeakPolarHBondContact O-CG1 3.34Å; G173-I177 PolarHBondContact O-N 3.23Å; L174-I177 PolarHBondContact O-N 2.93Å; I177-K179 VanDerWaalsContact C-N 3.33Å; I177-K179 PolarHBondContact O-N 3.45Å; I177-R180 PolarHBondContact O-N 3.32Å; I177-V181 HydrophobicContact CG2-CG2 4Å; I177-V181 VanDerWaalsContact O-CB 3.31Å; I177-V181 WeakPolarHBondContact O-CB 3.26Å; I177-V181 VanDerWaalsContact O-CG2 3.29Å; I177-V181 WeakPolarHBondContact O-CG2 3.4Å; I177-V181 PolarHBondContact O-N 3.19Å
178T98.7Very high97.7Very high15 Ų1553.8 Ų53.89%0.09230%0.302CS..Hα-helixtrans-57.4-46-179.7-590000111.3E133 V135 L174 E175 E176 N182E133-T178 HydrophobicContact CB-CG2 4.21Å; E133-T178 WeakPolarHBondContact CB-OG1 3.42Å; E133-T178 HydrophobicContact CG-CG2 4.46Å; V135-T178 HydrophobicContact CG1-CG2 3.92Å; L174-T178 WeakPolarHBondContact O-CB 3.36Å; L174-T178 PolarHBondContact O-N 3.39Å; L174-T178 PolarHBondContact O-OG1 3.07Å; E175-T178 WeakPolarHBondContact O-CB 3.29Å; E175-T178 PolarHBondContact O-N 3.39Å; E176-T178 VanDerWaalsContact C-N 3.33Å; E176-T178 PolarHBondContact O-N 3.11Å; T178-N182 WeakPolarHBondContact O-CB 3.41Å; T178-N182 PolarHBondContact O-N 2.96Å; T178-N182 VanDerWaalsContact O-N 3.12Å; T178-N182 PolarHBondContact O-ND2 3.32Å
179K98.5Very high97.7Very high135 Ų13553.5 Ų53.559%0.58730%0.3SS*.Hα-helixtrans-61.9-51.5177.4-177-173.5-179-171.20111.8E175 E176 I177 N182 V183E175-K179 WeakPolarHBondContact O-CB 3.21Å; E175-K179 PolarHBondContact O-N 3.27Å; E176-K179 PolarHBondContact O-N 2.85Å; I177-K179 VanDerWaalsContact C-N 3.33Å; I177-K179 PolarHBondContact O-N 3.45Å; K179-N182 PolarHBondContact O-N 2.98Å; K179-V183 PolarHBondContact O-N 3.07Å
180R98.4Very high97.7Very high85 Ų8551.7 Ų51.732%0.32129%0.292SS..Hα-helixtrans-64.7-43.8-177-70.8-177.765.5175.41.6112.1L167 E176 I177 N182 V183 V184L167-R180 HydrophobicContact CD1-CB 4.2Å; L167-R180 VanDerWaalsContact CD2-CZ 3.43Å; E176-R180 HydrophobicContact CG-CG 4.43Å; E176-R180 WeakPolarHBondContact O-CB 3.44Å; E176-R180 VanDerWaalsContact O-CG 3.31Å; E176-R180 WeakPolarHBondContact O-CG 3.39Å; E176-R180 PolarHBondContact O-N 2.95Å; E176-R180 VanDerWaalsContact OE1-CD 3.27Å; E176-R180 WeakPolarHBondContact OE1-CD 3.42Å; E176-R180 VanDerWaalsContact OE1-CG 3.29Å; E176-R180 WeakPolarHBondContact OE1-CG 3.37Å; I177-R180 PolarHBondContact O-N 3.32Å; R180-N182 VanDerWaalsContact C-N 3.34Å; R180-N182 PolarHBondContact O-N 3.37Å; R180-V183 PolarHBondContact O-N 3.42Å; R180-V183 VanDerWaalsContact O-N 3.15Å; R180-V184 WeakPolarHBondContact O-CG2 3.24Å; R180-V184 PolarHBondContact O-N 3.49Å
181V98.1Very high97.8Very high0 Ų048.1 Ų48.10%026%0.262CS..Hα-helixtrans-61.5-41.7177.2166.30000111.5V135 I160 A164 I177 V183 V184 A185V135-V181 HydrophobicContact CB-CG1 4.21Å; V135-V181 HydrophobicContact CG1-CG1 4.11Å; V135-V181 HydrophobicContact CG2-CG1 3.87Å; I160-V181 HydrophobicContact CD1-CG1 4.39Å; I160-V181 HydrophobicContact CG2-CG1 3.34Å; A164-V181 HydrophobicContact CB-CG2 3.88Å; I177-V181 HydrophobicContact CG2-CG2 4Å; I177-V181 VanDerWaalsContact O-CB 3.31Å; I177-V181 WeakPolarHBondContact O-CB 3.26Å; I177-V181 VanDerWaalsContact O-CG2 3.29Å; I177-V181 WeakPolarHBondContact O-CG2 3.4Å; I177-V181 PolarHBondContact O-N 3.19Å; V181-V183 VanDerWaalsContact C-N 3.28Å; V181-V183 PolarHBondContact O-N 3.09Å; V181-V184 PolarHBondContact O-N 3.48Å; V181-A185 WeakPolarHBondContact O-CB 3.37Å; V181-A185 PolarHBondContact O-N 3.26Å
182N97.7Very high97.8Very high59 Ų5945.7 Ų45.732%0.31624%0.237SC..Hα-helixtrans-61.7-34175.4-85.7-53.9000113.2T178 K179 R180 K186T178-N182 WeakPolarHBondContact O-CB 3.41Å; T178-N182 PolarHBondContact O-N 2.96Å; T178-N182 VanDerWaalsContact O-N 3.12Å; T178-N182 PolarHBondContact O-ND2 3.32Å; K179-N182 PolarHBondContact O-N 2.98Å; R180-N182 VanDerWaalsContact C-N 3.34Å; R180-N182 PolarHBondContact O-N 3.37Å; N182-K186 WeakPolarHBondContact O-CG 3.35Å
183V97.3Very high97.7Very high100 Ų10044.4 Ų44.461%0.60623%0.229SC*.Hα-helixtrans-69.7-49.5174.6173.40000110.2K179 R180 V181 A185 K186 A187K179-V183 PolarHBondContact O-N 3.07Å; R180-V183 PolarHBondContact O-N 3.42Å; R180-V183 VanDerWaalsContact O-N 3.15Å; V181-V183 VanDerWaalsContact C-N 3.28Å; V181-V183 PolarHBondContact O-N 3.09Å; V183-A185 VanDerWaalsContact C-N 3.3Å; V183-A185 PolarHBondContact O-N 3.36Å; V183-K186 PolarHBondContact O-N 2.9Å; V183-K186 VanDerWaalsContact O-N 3.15Å; V183-A187 PolarHBondContact O-N 2.96Å
184V97.5Very high97.6Very high18 Ų1842.4 Ų42.411%0.10921%0.209CC..Hα-helixtrans-60.3-40.7-179.91750000111.4I160 V163 R180 V181 K186 A187 L317 L323I160-V184 HydrophobicContact CD1-CB 4.2Å; I160-V184 HydrophobicContact CD1-CG1 3.74Å; V163-V184 HydrophobicContact CG1-CG2 4.35Å; V163-V184 HydrophobicContact CG2-CG1 4.4Å; R180-V184 WeakPolarHBondContact O-CG2 3.24Å; R180-V184 PolarHBondContact O-N 3.49Å; V181-V184 PolarHBondContact O-N 3.48Å; V184-K186 PolarHBondContact O-N 3.09Å; V184-A187 WeakPolarHBondContact O-CB 3.35Å; V184-A187 PolarHBondContact O-N 3.05Å; V184-L317 HydrophobicContact CG1-CD1 3.83Å; V184-L317 HydrophobicContact CG1-CD2 4.41Å; V184-L323 HydrophobicContact CG1-CD1 4.19Å; V184-L323 HydrophobicContact CG1-CD2 4.09Å; V184-L323 HydrophobicContact CG2-CD1 3.92Å; V184-L323 HydrophobicContact CG2-CD2 4.13Å
185A96.2Very high97.4Very high9 Ų944.6 Ų44.67%0.07422%0.22CC..Hα-helixtrans-62.9-25.118000000113.9I137 I160 V181 V183 M188I137-A185 HydrophobicContact CD1-CB 4.07Å; I160-A185 HydrophobicContact CD1-CB 4.06Å; I160-A185 HydrophobicContact CG1-CB 4.47Å; V181-A185 WeakPolarHBondContact O-CB 3.37Å; V181-A185 PolarHBondContact O-N 3.26Å; V183-A185 VanDerWaalsContact C-N 3.3Å; V183-A185 PolarHBondContact O-N 3.36Å; A185-M188 HydrophobicContact CB-CE 3.97Å; A185-M188 WeakPolarHBondContact O-CG 3.45Å
186K94.9Very high97Very high164 Ų16439.1 Ų39.171%0.71320%0.2SC*.Hα-helixtrans-82-17.5175-66.6174-175.2-179.50113N182 V183 V184 M188N182-K186 WeakPolarHBondContact O-CG 3.35Å; V183-K186 PolarHBondContact O-N 2.9Å; V183-K186 VanDerWaalsContact O-N 3.15Å; V184-K186 PolarHBondContact O-N 3.09Å; K186-M188 VanDerWaalsContact C-N 3.27Å; K186-M188 PolarHBondContact O-N 3.11Å
187A95.8Very high96.6Very high27 Ų2735.7 Ų35.722%0.22319%0.185CC..THydrogen-bonded Turntrans-89.412.4-179.600000113V183 V184 L317 L318V183-A187 PolarHBondContact O-N 2.96Å; V184-A187 WeakPolarHBondContact O-CB 3.35Å; V184-A187 PolarHBondContact O-N 3.05Å; A187-L317 HydrophobicContact CB-CD1 4.36Å; A187-L318 HydrophobicContact CB-CB 4.38Å; A187-L318 WeakPolarHBondContact O-CD1 3.49Å; A187-L318 PolarHBondContact O-N 3.17Å
188M96.9Very high96.1Very high2 Ų235.7 Ų35.71%0.0119%0.185CC..EExtended strand (participates in β ladder)trans-130.4158.918061.9173.4178.700113.9I137 D139 R151 I160 A185 K186 L316 L317I137-M188 HydrophobicContact CG2-CE 3.49Å; I137-M188 VanDerWaalsContact CG2-CE 3.49Å; D139-M188 HydrophobicContact CB-CE 3.88Å; D139-M188 HydrophobicContact CB-CG 4.07Å; D139-M188 HydrophobicContact CB-SD 4.11Å; R151-M188 PolarHBondContact NH2-O 2.65Å; I160-M188 HydrophobicContact CD1-CE 3.86Å; I160-M188 HydrophobicContact CD1-SD 4.49Å; I160-M188 HydrophobicContact CG1-CE 3.46Å; I160-M188 VanDerWaalsContact CG1-CE 3.46Å; I160-M188 HydrophobicContact CG1-SD 4.37Å; A185-M188 HydrophobicContact CB-CE 3.97Å; A185-M188 WeakPolarHBondContact O-CG 3.45Å; K186-M188 VanDerWaalsContact C-N 3.27Å; K186-M188 PolarHBondContact O-N 3.11Å; M188-L316 CarbonylContact C-O 3.38Å; M188-L316 WeakPolarHBondContact CA-O 3.49Å; M188-L316 WeakPolarHBondContact CB-O 3.39Å; M188-L317 HydrophobicContact CB-CB 4.12Å; M188-L317 HydrophobicContact CB-CD1 3.84Å
189G97.9Very high95.7Very high0 Ų035.2 Ų35.20%018%0.182CC..EExtended strand (participates in β ladder)trans-152.2158.7163.600000113.3D139 S141 M245 V254 T315 L316D139-G189 CarbonylContact O-C 3.58Å; D139-G189 WeakPolarHBondContact O-CA 3.28Å; S141-G189 WeakPolarHBondContact OG-CA 3.42Å; G189-M245 VanDerWaalsContact C-CE 3.49Å; G189-M245 WeakPolarHBondContact O-CE 3.42Å; G189-V254 VanDerWaalsContact CA-CG2 3.42Å; G189-T315 CarbonylContact O-C 3.6Å; G189-T315 VanDerWaalsContact O-CA 3.29Å; G189-T315 WeakPolarHBondContact O-CA 2.94Å; G189-L316 PolarHBondContact N-O 3.29Å; G189-L316 PolarHBondContact O-N 2.92Å
190T98.6Very high95.4Very high0 Ų030.7 Ų30.70%017%0.166CC..EExtended strand (participates in β ladder)trans-134.8135.4-175-600000109.6D139 D140 S141 L154 C155 L314 T315D139-T190 PolarHBondContact O-N 3.07Å; D139-T190 WeakPolarHBondContact OD2-CB 3.31Å; D139-T190 PolarHBondContact OD2-OG1 3.26Å; D140-T190 CarbonylContact C-O 3.59Å; D140-T190 WeakPolarHBondContact CA-O 3.38Å; S141-T190 PolarHBondContact N-O 2.64Å; L154-T190 HydrophobicContact CB-CG2 3.93Å; L154-T190 HydrophobicContact CD1-CG2 4.06Å; C155-T190 HydrophobicContact CB-CG2 4.4Å; T190-L314 CarbonylContact C-O 3.55Å; T190-L314 VanDerWaalsContact CA-O 3.22Å; T190-L314 WeakPolarHBondContact CA-O 3.23Å; T190-T315 WeakPolarHBondContact CG2-OG1 3.45Å; T190-T315 WeakPolarHBondContact OG1-CB 3.17Å; T190-T315 WeakPolarHBondContact OG1-CG2 3.47Å; T190-T315 PolarHBondContact OG1-OG1 3.03Å
191L98.2Very high94.9Very high0 Ų027 Ų270%015%0.153CC..EExtended strand (participates in β ladder)trans-129.1137.2170.2-172.564.8000109.6A142 L216 M241 H244 M245 S313 L314A142-L191 HydrophobicContact CB-CD1 3.78Å; L191-L216 HydrophobicContact CD2-CD1 3.91Å; L191-L216 HydrophobicContact CD2-CG 4.41Å; L191-L216 HydrophobicContact CG-CD1 4.2Å; L191-M241 HydrophobicContact CB-CE 4.12Å; L191-M241 HydrophobicContact CD2-CB 4Å; L191-M241 HydrophobicContact CD2-CG 4.13Å; L191-M241 HydrophobicContact CG-CE 4.3Å; L191-M241 WeakPolarHBondContact O-CE 3.48Å; L191-H244 HydrophobicContact CD2-CB 3.93Å; L191-M245 HydrophobicContact CB-CG 3.53Å; L191-M245 HydrophobicContact CB-SD 3.49Å; L191-M245 WeakPolarHBondContact CB-SD 3.4Å; L191-M245 HydrophobicContact CD2-CG 3.89Å; L191-M245 HydrophobicContact CG-CG 4.35Å; L191-S313 CarbonylContact O-C 3.57Å; L191-S313 WeakPolarHBondContact O-CA 3.46Å; L191-S313 WeakPolarHBondContact O-CB 3.48Å; L191-L314 PolarHBondContact N-O 3.05Å; L191-L314 PolarHBondContact O-N 2.86Å
192G97.3Very high94.4Very high3 Ų329.4 Ų29.43%0.03118%0.178CC..EExtended strand (participates in β ladder)trans-101.5155176.200000112.6G217 I312G192-G217 WeakPolarHBondContact O-CA 3.37Å; G192-G217 PolarHBondContact O-N 2.99Å; G192-I312 CarbonylContact C-O 3.53Å; G192-I312 VanDerWaalsContact CA-O 3.32Å; G192-I312 WeakPolarHBondContact CA-O 3.45Å
193V96.9Very high93.8Very high8 Ų829.3 Ų29.35%0.04818%0.181CC..EExtended strand (participates in β ladder)trans-140.6142.5163.765.80000108.7V214 E215 L216 I237 M241 G311 I312V193-V214 HydrophobicContact CG2-CB 4.2Å; V193-V214 HydrophobicContact CG2-CG2 4.07Å; V193-E215 VanDerWaalsContact CA-O 3.28Å; V193-E215 WeakPolarHBondContact CA-O 3.27Å; V193-L216 HydrophobicContact CB-CD1 4.38Å; V193-I237 HydrophobicContact CB-CG2 4.45Å; V193-I237 HydrophobicContact CG1-CG2 3.87Å; V193-I237 HydrophobicContact CG2-CG2 4.21Å; V193-M241 HydrophobicContact CB-SD 4.1Å; V193-M241 HydrophobicContact CG1-CE 4.35Å; V193-M241 HydrophobicContact CG1-SD 3.62Å; V193-G311 CarbonylContact O-C 3.53Å; V193-G311 WeakPolarHBondContact O-CA 3.37Å; V193-I312 HydrophobicContact CG1-CD1 3.74Å; V193-I312 HydrophobicContact CG1-CG1 3.74Å; V193-I312 PolarHBondContact N-O 3.47Å; V193-I312 PolarHBondContact O-N 2.86Å; V193-I312 VanDerWaalsContact O-O 3.12Å
194S95.4Very high93.3Very high0 Ų031.7 Ų31.70%018%0.184CC..EExtended strand (participates in β ladder)trans-136.7144.5179.3-164.30000112.5S196 V214 E215 L218 M309 P310S194-S196 WeakPolarHBondContact CB-O 3.43Å; S194-S196 PolarHBondContact OG-N 3.39Å; S194-S196 PolarHBondContact OG-O 3.45Å; S194-V214 WeakPolarHBondContact O-CA 3.39Å; S194-V214 WeakPolarHBondContact O-CB 3.44Å; S194-E215 PolarHBondContact N-O 2.95Å; S194-E215 PolarHBondContact O-N 3.37Å; S194-L218 VanDerWaalsContact CB-CD2 3.41Å; S194-L218 VanDerWaalsContact N-CD2 3.32Å; S194-M309 WeakPolarHBondContact OG-CG 3.16Å; S194-P310 PolarHBondContact OG-O 3.47Å; S194-P310 VanDerWaalsContact OG-O 3.05Å
195L94.6Very high92.7Very high68 Ų6833.4 Ų33.436%0.35620%0.195SC..SBendtrans-84.2-22176.3-50.7-177.5000111.6V214 M231 L272 P310L195-V214 HydrophobicContact CD2-CB 4.45Å; L195-V214 HydrophobicContact CD2-CG1 3.48Å; L195-V214 VanDerWaalsContact CD2-CG1 3.48Å; L195-M231 HydrophobicContact CD2-CE 4.2Å; L195-M231 HydrophobicContact CD2-SD 4Å; L195-L272 HydrophobicContact CD1-CD2 4Å; L195-P310 HydrophobicContact CB-CB 4.47Å; L195-P310 HydrophobicContact CB-CG 4.36Å; L195-P310 WeakPolarHBondContact CB-O 3.34Å; L195-P310 PolarHBondContact N-O 3.28Å
196S90.8Very high92Very high46 Ų4636.6 Ų36.632%0.32221%0.214SC..SBendtrans-160.8-177.5173.276.50000111.8S194 P310S194-S196 WeakPolarHBondContact CB-O 3.43Å; S194-S196 PolarHBondContact OG-N 3.39Å; S194-S196 PolarHBondContact OG-O 3.45Å; S196-P310 WeakPolarHBondContact OG-CD 3.32Å; S196-P310 WeakPolarHBondContact OG-CG 3.43Å
197S89.2Confident91.5Very high11 Ų1130.2 Ų30.28%0.07719%0.186CC..  trans-90.5157.9177.4-161.90000112T206 F207S197-T206 WeakPolarHBondContact OG-CB 3.48Å; S197-T206 PolarHBondContact OG-N 3.1Å; S197-F207 WeakPolarHBondContact CB-O 3.44Å; S197-F207 WeakPolarHBondContact OG-CD1 3.36Å; S197-F207 WeakPolarHBondContact OG-CE1 3.22Å; S197-F207 PolarHBondContact OG-N 3.06Å
198C89.8Confident91Very high0 Ų036.6 Ų36.60%021%0.211CC..  trans-83.2167.8165.455.20000111.9P205 T206 A306 L307 M309C198-P205 WeakPolarHBondContact O-CA 3.44Å; C198-T206 PolarHBondContact O-N 2.7Å; C198-A306 WeakPolarHBondContact CB-O 3.28Å; C198-L307 HydrophobicContact CB-CB 4.11Å; C198-M309 HydrophobicContact CB-CB 3.94Å
199S89.9Confident90.5Very high5 Ų538 Ų384%0.03522%0.219CC..  trans-123.4120.8172.6-56.40000111S3 K5 P205 L307 E308S3-S199 WeakPolarHBondContact CB-OG 3.34Å; K5-S199 WeakPolarHBondContact CE-O 3.39Å; K5-S199 PolarHBondContact NZ-O 2.98Å; S199-P205 WeakPolarHBondContact OG-CG 3.37Å; S199-L307 WeakPolarHBondContact O-CD1 3.08Å; S199-E308 WeakPolarHBondContact CB-OE1 3.41Å; S199-E308 PolarHBondContact N-OE1 2.9Å; S199-E308 PolarHBondContact N-OE2 2.9Å
200V91.2Very high90.2Very high39 Ų3940.4 Ų40.424%0.23624%0.236CC..  trans-59.1136.2166.7178.60000108.6V80 F81 G202 S203 L307V80-V200 HydrophobicContact CB-CG1 4.37Å; V80-V200 HydrophobicContact CG1-CG1 4.01Å; V80-V200 HydrophobicContact CG1-CG2 4.42Å; F81-V200 HydrophobicContact CD2-CG2 3.64Å; F81-V200 HydrophobicContact CE2-CG2 3.85Å; V200-G202 PolarHBondContact O-N 3.24Å; V200-S203 WeakPolarHBondContact O-CB 3.28Å; V200-S203 PolarHBondContact O-N 3.02Å; V200-L307 HydrophobicContact CG2-CD1 4.48Å
201P89.6Confident89.8Confident8 Ų845.9 Ų45.95%0.05228%0.281CS..THydrogen-bonded Turntrans-49.9128.6177.4-28.835.9000112.3K5 V10 S203K5-P201 HydrophobicContact CG-CB 4.43Å; K5-P201 HydrophobicContact CG-CG 4.46Å; V10-P201 HydrophobicContact CG1-CB 4.44Å; V10-P201 WeakPolarHBondContact CG1-O 3.36Å; V10-P201 HydrophobicContact CG2-CB 4.32Å; P201-S203 VanDerWaalsContact C-N 3.33Å
202G86Confident89.5Confident51 Ų5149.3 Ų49.353%0.52630%0.299SS..THydrogen-bonded Turntrans84.7-3.5-176.200000115.6V200V200-G202 PolarHBondContact O-N 3.24Å
203S86.7Confident89.4Confident56 Ų5651.6 Ų51.639%0.39231%0.309SS..SBendtrans-114.5168.5-177.7-630000112.8S3 V200 P201S3-S203 PolarHBondContact N-O 3.36Å; V200-S203 WeakPolarHBondContact O-CB 3.28Å; V200-S203 PolarHBondContact O-N 3.02Å; P201-S203 VanDerWaalsContact C-N 3.33Å
204K85.9Confident89.3Confident150 Ų15051.2 Ų51.265%0.65231%0.307SS*.  trans-80.2165.1165.6-66-175.3-174.9177.60110
205P85.5Confident89.3Confident54 Ų5451.6 Ų51.635%0.35131%0.309SS..  trans-53.1145171.3-24.232.8000112.2C198 S199 F207C198-P205 WeakPolarHBondContact O-CA 3.44Å; S199-P205 WeakPolarHBondContact OG-CG 3.37Å; P205-F207 VanDerWaalsContact C-N 3.28Å; P205-F207 PolarHBondContact O-N 3.28Å
206T80Confident89.3Confident77 Ų7748.6 Ų48.647%0.47229%0.293SS..SBendtrans-69-27.8-175.9-49.20000112.4S197 C198 G222S197-T206 WeakPolarHBondContact OG-CB 3.48Å; S197-T206 PolarHBondContact OG-N 3.1Å; C198-T206 PolarHBondContact O-N 2.7Å; T206-G222 WeakPolarHBondContact CG2-O 3.36Å
207F84.8Confident89.5Confident29 Ų2946.4 Ų46.413%0.12728%0.278CS..  trans-152.1168.1171.462.5-92.1000110.9S197 P205 L209 E215 L218S197-F207 WeakPolarHBondContact CB-O 3.44Å; S197-F207 WeakPolarHBondContact OG-CD1 3.36Å; S197-F207 WeakPolarHBondContact OG-CE1 3.22Å; S197-F207 PolarHBondContact OG-N 3.06Å; P205-F207 VanDerWaalsContact C-N 3.28Å; P205-F207 PolarHBondContact O-N 3.28Å; F207-L209 HydrophobicContact CD2-CD2 4.18Å; F207-L209 HydrophobicContact CD2-CG 4.01Å; F207-L209 HydrophobicContact CE2-CD1 3.91Å; F207-L209 HydrophobicContact CE2-CD2 4.1Å; F207-L209 HydrophobicContact CE2-CG 3.74Å; F207-E215 HydrophobicContact CE2-CB 4.38Å; F207-L218 HydrophobicContact CZ-CD1 4.35Å
208E86.2Confident89.6Confident161 Ų16146.1 Ų46.175%0.75228%0.275SS*.  trans-119.8144.8174.5-65.9-178.4177.600110.3
209L86.9Confident89.6Confident33 Ų3346.1 Ų46.117%0.17328%0.276CS..  trans-120.8149.3172.5-64.3178.2000108.7F207 E213 E215 R228F207-L209 HydrophobicContact CD2-CD2 4.18Å; F207-L209 HydrophobicContact CD2-CG 4.01Å; F207-L209 HydrophobicContact CE2-CD1 3.91Å; F207-L209 HydrophobicContact CE2-CD2 4.1Å; F207-L209 HydrophobicContact CE2-CG 3.74Å; L209-E213 HydrophobicContact CB-CB 4.13Å; L209-E213 HydrophobicContact CD2-CB 4.43Å; L209-E215 HydrophobicContact CD1-CB 3.98Å; L209-E215 HydrophobicContact CD2-CB 4.29Å; L209-R228 HydrophobicContact CD2-CG 4.19Å
210S90.4Very high89.6Confident50 Ų5046.2 Ų46.235%0.3528%0.275SS..  trans-68.2163.1169.364.70000111.1D212 E213S210-D212 PolarHBondContact O-N 2.86Å; S210-D212 PolarHBondContact OG-OD1 3Å; S210-E213 PolarHBondContact N-OE2 2.97Å; S210-E213 PolarHBondContact O-N 3.05Å; S210-E213 WeakPolarHBondContact OG-CB 3.32Å; S210-E213 WeakPolarHBondContact OG-CG 3.46Å; S210-E213 PolarHBondContact OG-OE2 2.81Å
211A89.5Confident89.6Confident115 Ų11545.8 Ų45.895%0.9527%0.271SS*.THydrogen-bonded Turntrans-60.2-18.1-178.500000114.2
212D92.9Very high89.1Confident72 Ų7245.5 Ų45.539%0.38527%0.269SS..THydrogen-bonded Turntrans-113.417.6-18071.9-25.4000113S210 K230 M231S210-D212 PolarHBondContact O-N 2.86Å; S210-D212 PolarHBondContact OG-OD1 3Å; D212-K230 CarbonylContact O-C 3.51Å; D212-K230 VanDerWaalsContact O-CA 3.26Å; D212-K230 WeakPolarHBondContact O-CA 3.41Å; D212-K230 WeakPolarHBondContact O-CD 3.37Å; D212-K230 IonicContact OD1-NZ 2.72Å; D212-K230 PolarHBondContact OD1-NZ 3.05Å; D212-K230 VanDerWaalsContact OD1-NZ 3.16Å; D212-K230 WeakPolarHBondContact OD2-CD 3.49Å; D212-K230 WeakPolarHBondContact OD2-CE 3.41Å; D212-K230 IonicContact OD2-NZ 2.65Å; D212-K230 PolarHBondContact OD2-NZ 3.47Å; D212-M231 PolarHBondContact O-N 2.68Å
213E94.6Very high88.9Confident50 Ų5045.8 Ų45.823%0.23426%0.257CS..EExtended strand (participates in β ladder)trans-115146.8179.7-85.5176.9174.800112.6L209 S210 I229L209-E213 HydrophobicContact CB-CB 4.13Å; L209-E213 HydrophobicContact CD2-CB 4.43Å; S210-E213 PolarHBondContact N-OE2 2.97Å; S210-E213 PolarHBondContact O-N 3.05Å; S210-E213 WeakPolarHBondContact OG-CB 3.32Å; S210-E213 WeakPolarHBondContact OG-CG 3.46Å; S210-E213 PolarHBondContact OG-OE2 2.81Å; E213-I229 WeakPolarHBondContact CA-O 3.17Å
214V95.2Very high88.6Confident1 Ų146.6 Ų46.61%0.00627%0.267CS..EExtended strand (participates in β ladder)trans-131.1150.1167.2-54.30000109.9V193 S194 L195 R228 I229 M231 I237V193-V214 HydrophobicContact CG2-CB 4.2Å; V193-V214 HydrophobicContact CG2-CG2 4.07Å; S194-V214 WeakPolarHBondContact O-CA 3.39Å; S194-V214 WeakPolarHBondContact O-CB 3.44Å; L195-V214 HydrophobicContact CD2-CB 4.45Å; L195-V214 HydrophobicContact CD2-CG1 3.48Å; L195-V214 VanDerWaalsContact CD2-CG1 3.48Å; V214-R228 WeakPolarHBondContact O-CA 3.48Å; V214-I229 HydrophobicContact CG2-CD1 3.67Å; V214-I229 HydrophobicContact CG2-CG1 3.25Å; V214-I229 PolarHBondContact N-O 3.25Å; V214-I229 PolarHBondContact O-N 3.31Å; V214-M231 HydrophobicContact CG1-CB 4.44Å; V214-M231 HydrophobicContact CG1-SD 3.44Å; V214-M231 WeakPolarHBondContact CG1-SD 3.43Å; V214-I237 HydrophobicContact CG2-CD1 3.98Å
215E95.4Very high88.5Confident8 Ų840.4 Ų40.44%0.03725%0.246CC..EExtended strand (participates in β ladder)trans-104.6120.7-178.4-173.580.9-140.700109.7V193 S194 F207 L209 L218 G225 R228V193-E215 VanDerWaalsContact CA-O 3.28Å; V193-E215 WeakPolarHBondContact CA-O 3.27Å; S194-E215 PolarHBondContact N-O 2.95Å; S194-E215 PolarHBondContact O-N 3.37Å; F207-E215 HydrophobicContact CE2-CB 4.38Å; L209-E215 HydrophobicContact CD1-CB 3.98Å; L209-E215 HydrophobicContact CD2-CB 4.29Å; E215-L218 HydrophobicContact CB-CD2 4.4Å; E215-L218 HydrophobicContact CG-CB 4.15Å; E215-L218 HydrophobicContact CG-CD2 4.48Å; E215-L218 WeakPolarHBondContact O-CD2 3.25Å; E215-G225 WeakPolarHBondContact OE1-CA 3.29Å; E215-G225 PolarHBondContact OE1-N 3.38Å; E215-R228 WeakPolarHBondContact OE2-CG 3.27Å; E215-R228 IonicContact OE2-CZ 3.84Å; E215-R228 IonicContact OE2-NE 3.88Å; E215-R228 PolarHBondContact OE2-NE 2.83Å; E215-R228 IonicContact OE2-NH2 3.79Å
216L95.6Very high88.6Confident4 Ų440.7 Ų40.72%0.02125%0.247CC..EExtended strand (participates in β ladder)trans-95136.3178.6-175.172000111.1L191 V193 G225 V226 R227 L240 M241L191-L216 HydrophobicContact CD2-CD1 3.91Å; L191-L216 HydrophobicContact CD2-CG 4.41Å; L191-L216 HydrophobicContact CG-CD1 4.2Å; V193-L216 HydrophobicContact CB-CD1 4.38Å; L216-G225 CarbonylContact O-C 3.23Å; L216-G225 VanDerWaalsContact O-CA 3.28Å; L216-G225 WeakPolarHBondContact O-CA 3.47Å; L216-V226 WeakPolarHBondContact O-CG2 3.12Å; L216-V226 PolarHBondContact O-N 3.38Å; L216-R227 WeakPolarHBondContact CB-O 3.31Å; L216-R227 PolarHBondContact N-O 3.07Å; L216-R227 PolarHBondContact O-N 3.49Å; L216-L240 HydrophobicContact CD2-CD2 4.17Å; L216-L240 HydrophobicContact CD2-CG 4.39Å; L216-M241 HydrophobicContact CD1-CG 3.85Å
217G93.5Very high89.2Confident0 Ų044.3 Ų44.30%025%0.252CS..SBendtrans69.333.6173.600000113.2R152 G192 G225R152-G217 PolarHBondContact NH2-O 3.13Å; G192-G217 WeakPolarHBondContact O-CA 3.37Å; G192-G217 PolarHBondContact O-N 2.99Å; G217-G225 WeakPolarHBondContact O-CA 3.22Å
218L91.4Very high89.6Confident5 Ų548.8 Ų48.83%0.02627%0.267CS..  trans-72.9158.7172.169.2146.1000112.3S194 F207 E215 E223 M309S194-L218 VanDerWaalsContact CB-CD2 3.41Å; S194-L218 VanDerWaalsContact N-CD2 3.32Å; F207-L218 HydrophobicContact CZ-CD1 4.35Å; E215-L218 HydrophobicContact CB-CD2 4.4Å; E215-L218 HydrophobicContact CG-CB 4.15Å; E215-L218 HydrophobicContact CG-CD2 4.48Å; E215-L218 WeakPolarHBondContact O-CD2 3.25Å; L218-E223 WeakPolarHBondContact CB-O 3.37Å; L218-M309 HydrophobicContact CD1-CE 3.29Å; L218-M309 HydrophobicContact CD1-CG 4.46Å; L218-M309 HydrophobicContact CD1-SD 3.26Å; L218-M309 WeakPolarHBondContact CD1-SD 3.32Å; L218-M309 HydrophobicContact CG-CE 4.25Å
219G89.8Confident90Very high1 Ų142.2 Ų42.21%0.0124%0.237CC..  trans-89170.2175.900000112.5H221 G222 E223G219-H221 VanDerWaalsContact C-N 3.29Å; G219-H221 PolarHBondContact O-N 3.04Å; G219-G222 PolarHBondContact O-N 2.82Å; G219-E223 WeakPolarHBondContact CA-OE2 3.1Å; G219-E223 PolarHBondContact N-O 3.13Å
220I91.5Very high90.4Very high6 Ų646.3 Ų46.33%0.03125%0.254CS..THydrogen-bonded Turntrans-75.8-11.5-17951.6167.9000113.9H59 K109 Y111 L154 E223 M304 A306H59-I220 PolarHBondContact CE1-O 2.84Å; K109-I220 HydrophobicContact CD-CD1 4.22Å; Y111-I220 HydrophobicContact CE2-CD1 4.11Å; Y111-I220 HydrophobicContact CE2-CG1 4.29Å; Y111-I220 VanDerWaalsContact OH-CG1 3.28Å; Y111-I220 WeakPolarHBondContact OH-CG1 3.32Å; L154-I220 HydrophobicContact CD2-CB 4.48Å; L154-I220 HydrophobicContact CD2-CG1 4.1Å; L154-I220 HydrophobicContact CD2-CG2 3.9Å; I220-E223 PolarHBondContact N-OE2 3.36Å; I220-M304 HydrophobicContact CD1-SD 3.79Å; I220-M304 HydrophobicContact CG2-CG 4.42Å; I220-M304 HydrophobicContact CG2-SD 4.3Å; I220-A306 WeakPolarHBondContact O-CB 3.41Å
221H89.6Confident90.6Very high30 Ų3049 Ų4914%0.13926%0.262CS..THydrogen-bonded Turntrans-101.515.3177-44.3112.4000112.4H59 F81 Y111 G219 E223H59-H221 AromaticContact CE1-CD2 3.39Å; H59-H221 PolarHBondContact CE1-CD2 3.33Å; H59-H221 AromaticContact CE1-NE2 3.78Å; H59-H221 AromaticContact NE2-CD2 3.13Å; H59-H221 PolarHBondContact NE2-CD2 3.23Å; H59-H221 AromaticContact NE2-NE2 3.19Å; H59-H221 PolarHBondContact NE2-NE2 3.09Å; H59-H221 VanDerWaalsContact NE2-NE2 3.19Å; F81-H221 HydrophobicContact CB-CB 4.17Å; F81-H221 HydrophobicContact CD1-CB 4.46Å; F81-H221 AromaticContact CD1-CD2 3.6Å; F81-H221 HydrophobicContact CD2-CB 3.92Å; F81-H221 HydrophobicContact CE2-CB 4.38Å; F81-H221 HydrophobicContact CG-CB 3.96Å; F81-H221 AromaticContact CG-CD2 3.71Å; Y111-H221 AromaticContact CD1-CE1 3.65Å; Y111-H221 AromaticContact CD1-ND1 3.89Å; Y111-H221 AromaticContact CD2-CE1 3.8Å; Y111-H221 AromaticContact CE1-CE1 3.41Å; Y111-H221 VanDerWaalsContact CE1-CE1 3.41Å; Y111-H221 WeakPolarHBondContact CE1-CE1 3.3Å; Y111-H221 AromaticContact CE1-ND1 3.38Å; Y111-H221 WeakPolarHBondContact CE1-ND1 3.4Å; Y111-H221 AromaticContact CE2-CE1 3.55Å; Y111-H221 AromaticContact CG-CE1 3.84Å; Y111-H221 AromaticContact CZ-CE1 3.33Å; Y111-H221 AromaticContact CZ-ND1 3.55Å; G219-H221 VanDerWaalsContact C-N 3.29Å; G219-H221 PolarHBondContact O-N 3.04Å; H221-E223 VanDerWaalsContact C-N 3.35Å; H221-E223 WeakPolarHBondContact CA-OE2 3.47Å; H221-E223 WeakPolarHBondContact CB-OE2 3.31Å; H221-E223 IonicContact CE1-OE1 3.47Å; H221-E223 IonicContact CG-OE1 3.05Å; H221-E223 PolarHBondContact N-OE2 2.72Å; H221-E223 IonicContact ND1-OE1 2.76Å; H221-E223 PolarHBondContact ND1-OE1 2.77Å; H221-E223 IonicContact ND1-OE2 3.36Å
222G79.6Confident90.9Very high2 Ų245.1 Ų45.12%0.02123%0.23CC..SBendtrans77.818.4-175.800000113.7T206 G219T206-G222 WeakPolarHBondContact CG2-O 3.36Å; G219-G222 PolarHBondContact O-N 2.82Å
223E82.8Confident91.1Very high57 Ų5745.5 Ų45.527%0.26624%0.235SC..  trans-64.2142.4172.6-51.796.9140.400110.6Y111 L218 G219 I220 H221Y111-E223 WeakPolarHBondContact CE1-OE1 3.24Å; L218-E223 WeakPolarHBondContact CB-O 3.37Å; G219-E223 WeakPolarHBondContact CA-OE2 3.1Å; G219-E223 PolarHBondContact N-O 3.13Å; I220-E223 PolarHBondContact N-OE2 3.36Å; H221-E223 VanDerWaalsContact C-N 3.35Å; H221-E223 WeakPolarHBondContact CA-OE2 3.47Å; H221-E223 WeakPolarHBondContact CB-OE2 3.31Å; H221-E223 IonicContact CE1-OE1 3.47Å; H221-E223 IonicContact CG-OE1 3.05Å; H221-E223 PolarHBondContact N-OE2 2.72Å; H221-E223 IonicContact ND1-OE1 2.76Å; H221-E223 PolarHBondContact ND1-OE1 2.77Å; H221-E223 IonicContact ND1-OE2 3.36Å
224A79.1Confident91.3Very high74 Ų7444.5 Ų44.561%0.61224%0.236SC*.  trans-50.1142.517800000111.9
225G83.6Confident91.4Very high19 Ų1947.9 Ų47.920%0.19625%0.253CS..  trans-75.4-174.6174.100000112E215 L216 G217E215-G225 WeakPolarHBondContact OE1-CA 3.29Å; E215-G225 PolarHBondContact OE1-N 3.38Å; L216-G225 CarbonylContact O-C 3.23Å; L216-G225 VanDerWaalsContact O-CA 3.28Å; L216-G225 WeakPolarHBondContact O-CA 3.47Å; G217-G225 WeakPolarHBondContact O-CA 3.22Å
226V88.1Confident91.5Very high61 Ų6152.7 Ų52.737%0.3728%0.276SS..SBendtrans-88.4-18.9175.7-66.30000111.9A142 F143 L216A142-V226 HydrophobicContact CB-CG1 3.75Å; A142-V226 HydrophobicContact CB-CG2 4.21Å; F143-V226 HydrophobicContact CD1-CG1 4.14Å; F143-V226 HydrophobicContact CE1-CG1 4.32Å; L216-V226 WeakPolarHBondContact O-CG2 3.12Å; L216-V226 PolarHBondContact O-N 3.38Å
227R91.9Very high91.7Very high153 Ų15353.1 Ų53.158%0.57728%0.278SS*.EExtended strand (participates in β ladder)trans-161.9136.5-176.2-168.4177.3177.6-176.4-1.2112.2L216 I229L216-R227 WeakPolarHBondContact CB-O 3.31Å; L216-R227 PolarHBondContact N-O 3.07Å; L216-R227 PolarHBondContact O-N 3.49Å; R227-I229 HydrophobicContact CG-CG2 3.84Å
228R94.1Very high91.9Very high122 Ų12253.2 Ų53.246%0.4628%0.279SS..EExtended strand (participates in β ladder)trans-90.9135.9161.3-68.2179.2-175.9-168.30.5110.3L209 V214 E215L209-R228 HydrophobicContact CD2-CG 4.19Å; V214-R228 WeakPolarHBondContact O-CA 3.48Å; E215-R228 WeakPolarHBondContact OE2-CG 3.27Å; E215-R228 IonicContact OE2-CZ 3.84Å; E215-R228 IonicContact OE2-NE 3.88Å; E215-R228 PolarHBondContact OE2-NE 2.83Å; E215-R228 IonicContact OE2-NH2 3.79Å
229I94.3Very high92.2Very high24 Ų2458.6 Ų58.612%0.12330%0.302CS..EExtended strand (participates in β ladder)trans-133.4161.8178.366-177.6000109.7E213 V214 R227 I237 L240E213-I229 WeakPolarHBondContact CA-O 3.17Å; V214-I229 HydrophobicContact CG2-CD1 3.67Å; V214-I229 HydrophobicContact CG2-CG1 3.25Å; V214-I229 PolarHBondContact N-O 3.25Å; V214-I229 PolarHBondContact O-N 3.31Å; R227-I229 HydrophobicContact CG-CG2 3.84Å; I229-I237 HydrophobicContact CD1-CD1 3.83Å; I229-L240 HydrophobicContact CD1-CD2 3.2Å
230K96.1Very high92.6Very high119 Ų11961 Ų6152%0.51731%0.314SS..EExtended strand (participates in β ladder)trans-69.5146.6172.1-68.1-62.5-177.3-173.50110.9D212 A232D212-K230 CarbonylContact O-C 3.51Å; D212-K230 VanDerWaalsContact O-CA 3.26Å; D212-K230 WeakPolarHBondContact O-CA 3.41Å; D212-K230 WeakPolarHBondContact O-CD 3.37Å; D212-K230 IonicContact OD1-NZ 2.72Å; D212-K230 PolarHBondContact OD1-NZ 3.05Å; D212-K230 VanDerWaalsContact OD1-NZ 3.16Å; D212-K230 WeakPolarHBondContact OD2-CD 3.49Å; D212-K230 WeakPolarHBondContact OD2-CE 3.41Å; D212-K230 IonicContact OD2-NZ 2.65Å; D212-K230 PolarHBondContact OD2-NZ 3.47Å; K230-A232 PolarHBondContact O-N 3.49Å
231M95.1Very high92.9Very high106 Ų10660.8 Ų60.852%0.52231%0.313SS..  trans-56.7136.1172.8-174.958.4-178.200109.5L195 D212 V214L195-M231 HydrophobicContact CD2-CE 4.2Å; L195-M231 HydrophobicContact CD2-SD 4Å; D212-M231 PolarHBondContact O-N 2.68Å; V214-M231 HydrophobicContact CG1-CB 4.44Å; V214-M231 HydrophobicContact CG1-SD 3.44Å; V214-M231 WeakPolarHBondContact CG1-SD 3.43Å
232A95.4Very high93.3Very high33 Ų3359.4 Ų59.427%0.27331%0.307SS..  trans-139.6176.5-176.500000109.4K230 E236 I237K230-A232 PolarHBondContact O-N 3.49Å; A232-E236 HydrophobicContact CB-CB 3.95Å; A232-I237 HydrophobicContact CB-CD1 4.01Å; A232-I237 HydrophobicContact CB-CG1 4.2Å
233T97.6Very high94.1Very high80 Ų8062.4 Ų62.449%0.49132%0.322SS..  trans-66.3157.2175.764.30000111.4D235 E236 I237T233-D235 PolarHBondContact O-N 3.46Å; T233-E236 WeakPolarHBondContact CB-OE2 3.18Å; T233-E236 WeakPolarHBondContact CG2-OE2 3.44Å; T233-E236 PolarHBondContact N-OE2 3.47Å; T233-E236 PolarHBondContact O-N 2.83Å; T233-E236 VanDerWaalsContact O-N 3.1Å; T233-E236 VanDerWaalsContact OG1-CD 3.25Å; T233-E236 VanDerWaalsContact OG1-CG 3.27Å; T233-E236 WeakPolarHBondContact OG1-CG 3.26Å; T233-E236 PolarHBondContact OG1-N 2.93Å; T233-E236 PolarHBondContact OG1-OE2 2.97Å; T233-I237 WeakPolarHBondContact O-CG1 3.34Å; T233-I237 PolarHBondContact O-N 3.43Å
234A97.4Very high94.8Very high30 Ų3061.5 Ų61.525%0.24832%0.318CS..Hα-helixtrans-54.4-40.1176.300000112.5E236 I237 V238 I279 I280A234-E236 PolarHBondContact O-N 3.27Å; A234-I237 PolarHBondContact O-N 2.96Å; A234-V238 WeakPolarHBondContact O-CB 3.48Å; A234-V238 WeakPolarHBondContact O-CG2 3.29Å; A234-V238 PolarHBondContact O-N 3.42Å; A234-I279 HydrophobicContact CB-CG2 3.6Å; A234-I280 HydrophobicContact CB-CD1 3.86Å
235D98.1Very high95.6Very high71 Ų7158 Ų5838%0.3829%0.289SS..Hα-helixtrans-61.3-43.4177.2-79.65.8000111.9T233 K239 A283 R286T233-D235 PolarHBondContact O-N 3.46Å; D235-K239 VanDerWaalsContact O-CB 3.26Å; D235-K239 WeakPolarHBondContact O-CB 3.45Å; D235-K239 PolarHBondContact O-N 2.94Å; D235-A283 VanDerWaalsContact OD1-CB 3.27Å; D235-A283 WeakPolarHBondContact OD1-CB 3.38Å; D235-R286 IonicContact OD1-CZ 2.77Å; D235-R286 IonicContact OD1-NH1 3.98Å; D235-R286 IonicContact OD1-NH2 2.72Å; D235-R286 PolarHBondContact OD1-NH2 3.18Å; D235-R286 IonicContact OD2-CZ 3.76Å; D235-R286 IonicContact OD2-NH1 3.27Å; D235-R286 PolarHBondContact OD2-NH1 3.34Å; D235-R286 IonicContact OD2-NH2 3.96Å; D235-R286 PolarHBondContact OD2-NH2 3.3Å
236E98.1Very high96.2Very high109 Ų10958.3 Ų58.351%0.50929%0.287SS..Hα-helixtrans-69.5-42.6179-70.6165137.100112.1A232 T233 A234 K239 L240A232-E236 HydrophobicContact CB-CB 3.95Å; T233-E236 WeakPolarHBondContact CB-OE2 3.18Å; T233-E236 WeakPolarHBondContact CG2-OE2 3.44Å; T233-E236 PolarHBondContact N-OE2 3.47Å; T233-E236 PolarHBondContact O-N 2.83Å; T233-E236 VanDerWaalsContact O-N 3.1Å; T233-E236 VanDerWaalsContact OG1-CD 3.25Å; T233-E236 VanDerWaalsContact OG1-CG 3.27Å; T233-E236 WeakPolarHBondContact OG1-CG 3.26Å; T233-E236 PolarHBondContact OG1-N 2.93Å; T233-E236 PolarHBondContact OG1-OE2 2.97Å; A234-E236 PolarHBondContact O-N 3.27Å; E236-K239 PolarHBondContact O-N 2.98Å; E236-L240 WeakPolarHBondContact O-CB 3.24Å; E236-L240 PolarHBondContact O-N 3.4Å
237I98Very high96.5Very high13 Ų1358.9 Ų58.97%0.06729%0.288CS..Hα-helixtrans-63-47.6177.4-65.8-62.7000110.7V193 V214 I229 A232 T233 A234 K239 L240 M241V193-I237 HydrophobicContact CB-CG2 4.45Å; V193-I237 HydrophobicContact CG1-CG2 3.87Å; V193-I237 HydrophobicContact CG2-CG2 4.21Å; V214-I237 HydrophobicContact CG2-CD1 3.98Å; I229-I237 HydrophobicContact CD1-CD1 3.83Å; A232-I237 HydrophobicContact CB-CD1 4.01Å; A232-I237 HydrophobicContact CB-CG1 4.2Å; T233-I237 WeakPolarHBondContact O-CG1 3.34Å; T233-I237 PolarHBondContact O-N 3.43Å; A234-I237 PolarHBondContact O-N 2.96Å; I237-K239 VanDerWaalsContact C-N 3.34Å; I237-K239 PolarHBondContact O-N 3.25Å; I237-L240 WeakPolarHBondContact O-CB 3.46Å; I237-L240 PolarHBondContact O-N 3.02Å; I237-M241 HydrophobicContact CG2-SD 4.2Å; I237-M241 VanDerWaalsContact O-CG 3.3Å; I237-M241 WeakPolarHBondContact O-CG 3.43Å; I237-M241 PolarHBondContact O-N 2.86Å
238V98.5Very high96.5Very high2 Ų257 Ų571%0.01229%0.294CS..Hα-helixtrans-63.2-42.1178167.20000111.4A234 M241 L242 I280 A283 A284A234-V238 WeakPolarHBondContact O-CB 3.48Å; A234-V238 WeakPolarHBondContact O-CG2 3.29Å; A234-V238 PolarHBondContact O-N 3.42Å; V238-M241 PolarHBondContact O-N 3.29Å; V238-L242 HydrophobicContact CG1-CD1 3.97Å; V238-L242 WeakPolarHBondContact O-CG 3.35Å; V238-L242 PolarHBondContact O-N 3.09Å; V238-I280 HydrophobicContact CG2-CD1 3.94Å; V238-I280 HydrophobicContact CG2-CG2 3.99Å; V238-A283 HydrophobicContact CB-CB 4.17Å; V238-A283 HydrophobicContact CG1-CB 4.35Å; V238-A283 HydrophobicContact CG2-CB 3.97Å; V238-A284 HydrophobicContact CG1-CB 3.97Å
239K97.9Very high96.4Very high118 Ų11856.5 Ų56.551%0.51331%0.305SS..Hα-helixtrans-59.1-48.2175.2179.8-179.2175.1-172.70111.1D235 E236 I237 M241 L242 D243D235-K239 VanDerWaalsContact O-CB 3.26Å; D235-K239 WeakPolarHBondContact O-CB 3.45Å; D235-K239 PolarHBondContact O-N 2.94Å; E236-K239 PolarHBondContact O-N 2.98Å; I237-K239 VanDerWaalsContact C-N 3.34Å; I237-K239 PolarHBondContact O-N 3.25Å; K239-M241 VanDerWaalsContact C-N 3.3Å; K239-M241 PolarHBondContact O-N 3.01Å; K239-L242 PolarHBondContact O-N 2.97Å; K239-D243 WeakPolarHBondContact CG-OD2 3.47Å; K239-D243 WeakPolarHBondContact O-CB 3.32Å; K239-D243 VanDerWaalsContact O-CG 3.28Å; K239-D243 PolarHBondContact O-N 2.72Å
240L97.4Very high96.3Very high53 Ų5355.5 Ų55.528%0.27730%0.299SS..Hα-helixtrans-57.2-44.3177.5178.270.8000111.6L216 I229 E236 I237 H244L216-L240 HydrophobicContact CD2-CD2 4.17Å; L216-L240 HydrophobicContact CD2-CG 4.39Å; I229-L240 HydrophobicContact CD1-CD2 3.2Å; E236-L240 WeakPolarHBondContact O-CB 3.24Å; E236-L240 PolarHBondContact O-N 3.4Å; I237-L240 WeakPolarHBondContact O-CB 3.46Å; I237-L240 PolarHBondContact O-N 3.02Å; L240-H244 WeakPolarHBondContact O-CB 3.31Å; L240-H244 PolarHBondContact O-N 2.92Å
241M98Very high96.1Very high1 Ų152.5 Ų52.51%0.00530%0.297CS..Hα-helixtrans-62.5-47.8178.8-70.6177.372.500111.9L191 V193 L216 I237 V238 K239 H244 M245 I312 L314L191-M241 HydrophobicContact CB-CE 4.12Å; L191-M241 HydrophobicContact CD2-CB 4Å; L191-M241 HydrophobicContact CD2-CG 4.13Å; L191-M241 HydrophobicContact CG-CE 4.3Å; L191-M241 WeakPolarHBondContact O-CE 3.48Å; V193-M241 HydrophobicContact CB-SD 4.1Å; V193-M241 HydrophobicContact CG1-CE 4.35Å; V193-M241 HydrophobicContact CG1-SD 3.62Å; L216-M241 HydrophobicContact CD1-CG 3.85Å; I237-M241 HydrophobicContact CG2-SD 4.2Å; I237-M241 VanDerWaalsContact O-CG 3.3Å; I237-M241 WeakPolarHBondContact O-CG 3.43Å; I237-M241 PolarHBondContact O-N 2.86Å; V238-M241 PolarHBondContact O-N 3.29Å; K239-M241 VanDerWaalsContact C-N 3.3Å; K239-M241 PolarHBondContact O-N 3.01Å; M241-H244 PolarHBondContact O-N 3.38Å; M241-M245 WeakPolarHBondContact O-CB 3.43Å; M241-M245 WeakPolarHBondContact O-CG 3.26Å; M241-M245 PolarHBondContact O-N 2.79Å; M241-I312 HydrophobicContact CE-CD1 3.6Å; M241-I312 HydrophobicContact SD-CD1 3.55Å; M241-I312 VanDerWaalsContact SD-CD1 3.55Å; M241-L314 HydrophobicContact CE-CB 3.88Å
242L98.1Very high95.9Very high0 Ų047.5 Ų47.50%027%0.272CS..Hα-helixtrans-65.7-41.4179-74.3172.3000112.2V238 K239 M245 T246 S287 L288 L314 L316V238-L242 HydrophobicContact CG1-CD1 3.97Å; V238-L242 WeakPolarHBondContact O-CG 3.35Å; V238-L242 PolarHBondContact O-N 3.09Å; K239-L242 PolarHBondContact O-N 2.97Å; L242-M245 PolarHBondContact O-N 2.9Å; L242-T246 WeakPolarHBondContact O-CB 3.48Å; L242-T246 WeakPolarHBondContact O-CG2 3.22Å; L242-T246 PolarHBondContact O-N 3.42Å; L242-T246 PolarHBondContact O-OG1 3.46Å; L242-S287 WeakPolarHBondContact CD1-OG 3.37Å; L242-L288 HydrophobicContact CD1-CD2 4.26Å; L242-L288 HydrophobicContact CD1-CG 4.14Å; L242-L288 HydrophobicContact CD2-CD2 3.78Å; L242-L288 HydrophobicContact CD2-CG 4.29Å; L242-L314 HydrophobicContact CD1-CD2 4.49Å; L242-L314 HydrophobicContact CD2-CD2 3.48Å; L242-L314 VanDerWaalsContact CD2-CD2 3.48Å; L242-L314 HydrophobicContact CG-CD2 3.79Å; L242-L316 HydrophobicContact CD2-CD1 3.79Å
243D96.7Very high95.9Very high66 Ų6649.1 Ų49.135%0.35327%0.274SS..Hα-helixtrans-57.9-50.1173.8-73.6-18.9000110.2K239 M245 T246 D247 R291K239-D243 WeakPolarHBondContact CG-OD2 3.47Å; K239-D243 WeakPolarHBondContact O-CB 3.32Å; K239-D243 VanDerWaalsContact O-CG 3.28Å; K239-D243 PolarHBondContact O-N 2.72Å; D243-M245 PolarHBondContact O-N 3.33Å; D243-T246 PolarHBondContact O-N 3.41Å; D243-D247 WeakPolarHBondContact O-CB 3.4Å; D243-D247 PolarHBondContact O-N 3.24Å; D243-R291 IonicContact OD1-CZ 3.15Å; D243-R291 IonicContact OD1-NH1 2.78Å; D243-R291 PolarHBondContact OD1-NH1 2.99Å; D243-R291 IonicContact OD1-NH2 3.37Å; D243-R291 PolarHBondContact OD1-NH2 3.36Å
244H96.6Very high95.7Very high37 Ų3745.4 Ų45.417%0.17125%0.251CS..Hα-helixtrans-60.9-43.3178-174.395.9000113.2S141 A142 L191 L240 M241 T246 N250S141-H244 PolarHBondContact O-CD2 3.46Å; S141-H244 VanDerWaalsContact O-CD2 3.28Å; S141-H244 PolarHBondContact O-NE2 2.94Å; S141-H244 VanDerWaalsContact O-NE2 3.11Å; A142-H244 PolarHBondContact O-CE1 3.49Å; A142-H244 PolarHBondContact O-NE2 3.29Å; L191-H244 HydrophobicContact CD2-CB 3.93Å; L240-H244 WeakPolarHBondContact O-CB 3.31Å; L240-H244 PolarHBondContact O-N 2.92Å; M241-H244 PolarHBondContact O-N 3.38Å; H244-T246 VanDerWaalsContact C-N 3.3Å; H244-T246 PolarHBondContact O-N 3.35Å; H244-N250 PolarHBondContact CD2-ND2 3.09Å; H244-N250 PolarHBondContact NE2-ND2 3.5Å; H244-N250 PolarHBondContact O-ND2 3.07Å
245M96.7Very high95.5Very high0 Ų047.5 Ų47.50%026%0.262CS..Hα-helixtrans-69.3-26.5-179.2-72.7175.170.600113.2G189 L191 M241 L242 D243 H253 V254 L314 L316G189-M245 VanDerWaalsContact C-CE 3.49Å; G189-M245 WeakPolarHBondContact O-CE 3.42Å; L191-M245 HydrophobicContact CB-CG 3.53Å; L191-M245 HydrophobicContact CB-SD 3.49Å; L191-M245 WeakPolarHBondContact CB-SD 3.4Å; L191-M245 HydrophobicContact CD2-CG 3.89Å; L191-M245 HydrophobicContact CG-CG 4.35Å; M241-M245 WeakPolarHBondContact O-CB 3.43Å; M241-M245 WeakPolarHBondContact O-CG 3.26Å; M241-M245 PolarHBondContact O-N 2.79Å; L242-M245 PolarHBondContact O-N 2.9Å; D243-M245 PolarHBondContact O-N 3.33Å; M245-H253 CarbonylContact O-C 3.52Å; M245-H253 VanDerWaalsContact O-CA 3.27Å; M245-H253 WeakPolarHBondContact O-CA 3.29Å; M245-V254 HydrophobicContact CE-CG2 4.2Å; M245-V254 PolarHBondContact O-N 2.94Å; M245-L314 WeakPolarHBondContact CE-O 3.21Å; M245-L316 HydrophobicContact CE-CB 4.49Å; M245-L316 HydrophobicContact CE-CD1 4.37Å; M245-L316 HydrophobicContact CE-CG 4.09Å
246T95.4Very high95.3Very high27 Ų2745.2 Ų45.217%0.16625%0.251CS..Hα-helixtrans-109.1-3.2-173.960.70000113.8L242 D243 H244 T248 V256 R291L242-T246 WeakPolarHBondContact O-CB 3.48Å; L242-T246 WeakPolarHBondContact O-CG2 3.22Å; L242-T246 PolarHBondContact O-N 3.42Å; L242-T246 PolarHBondContact O-OG1 3.46Å; D243-T246 PolarHBondContact O-N 3.41Å; H244-T246 VanDerWaalsContact C-N 3.3Å; H244-T246 PolarHBondContact O-N 3.35Å; T246-T248 PolarHBondContact O-N 3.02Å; T246-V256 HydrophobicContact CG2-CB 3.97Å; T246-V256 HydrophobicContact CG2-CG2 4.33Å; T246-R291 PolarHBondContact OG1-NH1 2.86Å
247D94.8Very high95.1Very high72 Ų7246.4 Ų46.439%0.38526%0.257SS..  trans-63.2117.2175.8-175-18.1000110.9D243 T249 N250 H253D243-D247 WeakPolarHBondContact O-CB 3.4Å; D243-D247 PolarHBondContact O-N 3.24Å; D247-T249 PolarHBondContact O-N 3.41Å; D247-T249 VanDerWaalsContact O-N 3.12Å; D247-T249 WeakPolarHBondContact OD1-CB 3.4Å; D247-T249 WeakPolarHBondContact OD1-CG2 3.18Å; D247-T249 PolarHBondContact OD1-N 2.89Å; D247-T249 PolarHBondContact OD1-OG1 3.35Å; D247-T249 PolarHBondContact OD2-OG1 3Å; D247-T249 VanDerWaalsContact OD2-OG1 3.14Å; D247-N250 HydrophobicContact CB-CB 4.32Å; D247-N250 VanDerWaalsContact O-CB 3.26Å; D247-N250 WeakPolarHBondContact O-CB 3.43Å; D247-N250 PolarHBondContact O-N 2.95Å; D247-H253 WeakPolarHBondContact O-CB 3.28Å
248T92.8Very high95Very high114 Ų11450.9 Ų50.970%0.69929%0.287SS*.THydrogen-bonded Turntrans-64.8-16.9-178.454.80000113.7T246 N250T246-T248 PolarHBondContact O-N 3.02Å; T248-N250 VanDerWaalsContact C-N 3.32Å
249T91.9Very high94.9Very high112 Ų11254 Ų5469%0.68732%0.318SS*.THydrogen-bonded Turntrans-79.5-16.3173.372.40000112.8D247 A251D247-T249 PolarHBondContact O-N 3.41Å; D247-T249 VanDerWaalsContact O-N 3.12Å; D247-T249 WeakPolarHBondContact OD1-CB 3.4Å; D247-T249 WeakPolarHBondContact OD1-CG2 3.18Å; D247-T249 PolarHBondContact OD1-N 2.89Å; D247-T249 PolarHBondContact OD1-OG1 3.35Å; D247-T249 PolarHBondContact OD2-OG1 3Å; D247-T249 VanDerWaalsContact OD2-OG1 3.14Å; T249-A251 PolarHBondContact O-N 3.37Å
250N91.6Very high94.9Very high2 Ų249 Ų491%0.01130%0.298CS..SBendtrans-78.1120.6175.9179.5-6.9000109.9S141 F143 T144 H244 D247 T248 S252 H253S141-N250 PolarHBondContact O-ND2 3.45Å; F143-N250 PolarHBondContact O-OD1 3Å; T144-N250 WeakPolarHBondContact CA-OD1 3.32Å; T144-N250 HydrophobicContact CG2-CB 4.48Å; H244-N250 PolarHBondContact CD2-ND2 3.09Å; H244-N250 PolarHBondContact NE2-ND2 3.5Å; H244-N250 PolarHBondContact O-ND2 3.07Å; D247-N250 HydrophobicContact CB-CB 4.32Å; D247-N250 VanDerWaalsContact O-CB 3.26Å; D247-N250 WeakPolarHBondContact O-CB 3.43Å; D247-N250 PolarHBondContact O-N 2.95Å; T248-N250 VanDerWaalsContact C-N 3.32Å; N250-S252 PolarHBondContact O-N 3.15Å; N250-S252 PolarHBondContact OD1-N 3.37Å; N250-H253 HydrophobicContact CB-CB 4.24Å; N250-H253 WeakPolarHBondContact O-CB 3.45Å; N250-H253 PolarHBondContact O-N 3.19Å; N250-H253 PolarHBondContact O-ND1 3.17Å
251A91.1Very high94.9Very high56 Ų5647.6 Ų47.646%0.46329%0.293SS..THydrogen-bonded Turntrans-60.1-18.4178.400000114.3T144 L146 T249T144-A251 VanDerWaalsContact O-CB 3.24Å; T144-A251 WeakPolarHBondContact O-CB 3.44Å; T144-A251 PolarHBondContact O-N 3.41Å; L146-A251 HydrophobicContact CD1-CB 4.41Å; L146-A251 HydrophobicContact CG-CB 4.12Å; T249-A251 PolarHBondContact O-N 3.37Å
252S92.8Very high95Very high1 Ų147.5 Ų47.51%0.00729%0.293CS..THydrogen-bonded Turntrans-107.518.7179-49.30000113.2S141 F143 L146 N250S141-S252 VanDerWaalsContact CB-O 3.32Å; S141-S252 WeakPolarHBondContact CB-O 3.4Å; S141-S252 PolarHBondContact OG-O 3.09Å; F143-S252 WeakPolarHBondContact O-CB 3.26Å; F143-S252 PolarHBondContact O-OG 3.46Å; L146-S252 WeakPolarHBondContact CD2-OG 3.3Å; N250-S252 PolarHBondContact O-N 3.15Å; N250-S252 PolarHBondContact OD1-N 3.37Å
253H94.2Very high95Very high67 Ų6747.5 Ų47.531%0.3129%0.293SS..  trans-63.8151.5-177.472.9-87.9000113M245 D247 N250M245-H253 CarbonylContact O-C 3.52Å; M245-H253 VanDerWaalsContact O-CA 3.27Å; M245-H253 WeakPolarHBondContact O-CA 3.29Å; D247-H253 WeakPolarHBondContact O-CB 3.28Å; N250-H253 HydrophobicContact CB-CB 4.24Å; N250-H253 WeakPolarHBondContact O-CB 3.45Å; N250-H253 PolarHBondContact O-N 3.19Å; N250-H253 PolarHBondContact O-ND1 3.17Å
254V94.4Very high95.1Very high2 Ų244.4 Ų44.41%0.01228%0.276CS..  trans-93.9125.2169.3-165.70000107G189 M245 V256 L316 L318G189-V254 VanDerWaalsContact CA-CG2 3.42Å; M245-V254 HydrophobicContact CE-CG2 4.2Å; M245-V254 PolarHBondContact O-N 2.94Å; V254-V256 HydrophobicContact CB-CG2 4.16Å; V254-V256 HydrophobicContact CG1-CG2 3.75Å; V254-V256 PolarHBondContact O-N 3.45Å; V254-L316 HydrophobicContact CG1-CB 4.46Å; V254-L318 HydrophobicContact CG1-CD1 3.47Å; V254-L318 VanDerWaalsContact CG1-CD1 3.47Å
255P92.4Very high95.2Very high74 Ų7442.6 Ų42.648%0.48127%0.268SS..  trans-77.759.9-173.933.2-37.4000111.8L318P255-L318 HydrophobicContact CG-CD1 4.39Å
256V93.9Very high95.2Very high24 Ų2442.6 Ų42.615%0.14527%0.268CS..  trans-86.7130.4177.8-179.60000109.2T246 V254 V262 V293 L316 L318T246-V256 HydrophobicContact CG2-CB 3.97Å; T246-V256 HydrophobicContact CG2-CG2 4.33Å; V254-V256 HydrophobicContact CB-CG2 4.16Å; V254-V256 HydrophobicContact CG1-CG2 3.75Å; V254-V256 PolarHBondContact O-N 3.45Å; V256-V262 HydrophobicContact CG2-CG1 4.44Å; V256-V293 HydrophobicContact CG1-CB 4.42Å; V256-V293 HydrophobicContact CG1-CG1 4.09Å; V256-V293 HydrophobicContact CG1-CG2 3.4Å; V256-V293 VanDerWaalsContact CG1-CG2 3.4Å; V256-L316 HydrophobicContact CG2-CD1 4.12Å; V256-L318 HydrophobicContact CG2-CD1 3.95Å
257Q94Very high95.4Very high134 Ų13441.3 Ų41.363%0.62626%0.26SS*.  trans-134.5164.2177.759.8-174.91.500110.3G259 S260Q257-G259 PolarHBondContact O-N 3.11Å; Q257-S260 WeakPolarHBondContact CG-OG 3.48Å; Q257-S260 PolarHBondContact N-OG 3.45Å; Q257-S260 WeakPolarHBondContact O-CB 3.37Å; Q257-S260 PolarHBondContact O-N 2.62Å; Q257-S260 PolarHBondContact O-OG 3.05Å
258P96.3Very high95.6Very high107 Ų10738.3 Ų38.370%0.69524%0.244SC*.THydrogen-bonded Turntrans-52.2132.4171.6-26.335.3000111.2S260P258-S260 VanDerWaalsContact C-N 3.34Å
259G96Very high95.8Very high66 Ų6633 Ų3368%0.6821%0.211SC*.THydrogen-bonded Turntrans87.4-11.8-173.800000115.2Q257 G292Q257-G259 PolarHBondContact O-N 3.11Å; G259-G292 PolarHBondContact N-O 3.23Å
260S97.6Very high96Very high13 Ų1329.2 Ų29.29%0.09119%0.194CC..  trans-57.5143.7170.7-71.30000110.9Q257 P258 K294Q257-S260 WeakPolarHBondContact CG-OG 3.48Å; Q257-S260 PolarHBondContact N-OG 3.45Å; Q257-S260 WeakPolarHBondContact O-CB 3.37Å; Q257-S260 PolarHBondContact O-N 2.62Å; Q257-S260 PolarHBondContact O-OG 3.05Å; P258-S260 VanDerWaalsContact C-N 3.34Å; S260-K294 PolarHBondContact O-N 3.49Å
261S98.3Very high96.2Very high24 Ų2430.9 Ų30.917%0.16821%0.212CC..EExtended strand (participates in β ladder)trans-106.9134.1169.4-155.40000110.3K294 V319S261-K294 CarbonylContact C-O 3.56Å; S261-K294 VanDerWaalsContact CA-O 3.26Å; S261-K294 WeakPolarHBondContact CA-O 3.26Å; S261-K294 PolarHBondContact OG-O 3.18Å; S261-V319 PolarHBondContact O-N 3.25Å
262V98.6Very high96.5Very high0 Ų029.4 Ų29.40%020%0.196CC..EExtended strand (participates in β ladder)trans-130.6150.1-177.1-57.70000112.9V256 V293 K294 A296 L317V256-V262 HydrophobicContact CG2-CG1 4.44Å; V262-V293 HydrophobicContact CB-CG1 4.46Å; V262-V293 HydrophobicContact CG1-CG1 3.91Å; V262-V293 HydrophobicContact CG2-CG1 3.75Å; V262-K294 PolarHBondContact N-O 2.8Å; V262-A296 PolarHBondContact O-N 3.07Å; V262-L317 CarbonylContact C-O 3.56Å; V262-L317 WeakPolarHBondContact CA-O 3.28Å
263V98.6Very high96.7Very high0 Ų031.9 Ų31.90%021%0.214CC..EExtended strand (participates in β ladder)trans-89.6122.9152.5171.60000107.2L159 R297 L299 L317 V319 L324 I327L159-V263 HydrophobicContact CD2-CG1 4.21Å; V263-R297 HydrophobicContact CG1-CB 4.25Å; V263-R297 HydrophobicContact CG2-CB 4.06Å; V263-R297 HydrophobicContact CG2-CG 4.21Å; V263-L299 HydrophobicContact CG1-CD1 3.72Å; V263-L317 HydrophobicContact CB-CB 4.4Å; V263-L317 PolarHBondContact N-O 3.49Å; V263-L317 PolarHBondContact O-N 2.87Å; V263-V319 HydrophobicContact CB-CG1 4.26Å; V263-V319 HydrophobicContact CG2-CG1 3.65Å; V263-V319 HydrophobicContact CG2-CG2 4.23Å; V263-L324 HydrophobicContact CG2-CD2 3.83Å; V263-I327 HydrophobicContact CG2-CG1 4.49Å; V263-I327 HydrophobicContact CG2-CG2 4.44Å
264M98.3Very high96.8Very high0 Ų036.9 Ų36.90%024%0.235CC..EExtended strand (participates in β ladder)trans-101.5134.9176.7-177.4-173.374.400109.5V266 A284 V285 L288 I295 R297 A298 L299 L314 T315 L316M264-V266 HydrophobicContact CE-CG2 4.14Å; M264-A284 HydrophobicContact CE-CB 4.38Å; M264-A284 HydrophobicContact SD-CB 3.65Å; M264-V285 HydrophobicContact CE-CG2 3.76Å; M264-L288 HydrophobicContact CB-CD1 4.41Å; M264-L288 HydrophobicContact CG-CD1 4.12Å; M264-L288 HydrophobicContact SD-CD1 3.55Å; M264-L288 VanDerWaalsContact SD-CD1 3.55Å; M264-I295 HydrophobicContact CB-CG2 4.2Å; M264-R297 PolarHBondContact N-O 3.46Å; M264-A298 HydrophobicContact CE-CB 3.75Å; M264-A298 CarbonylContact O-C 3.59Å; M264-A298 WeakPolarHBondContact O-CA 3.48Å; M264-L299 PolarHBondContact O-N 3.11Å; M264-L314 HydrophobicContact CG-CD1 3.82Å; M264-L314 HydrophobicContact SD-CD1 4.22Å; M264-T315 WeakPolarHBondContact CA-O 3.38Å; M264-L316 HydrophobicContact CB-CD2 4.39Å; M264-L316 HydrophobicContact CG-CD2 4.17Å
265M98.6Very high96.9Very high0 Ų042.8 Ų42.80%027%0.266CS..EExtended strand (participates in β ladder)trans-126.1121.3171.3-179.2-174.9-7500110.2C155 L159 L299 F303 L314 T315C155-M265 HydrophobicContact CB-SD 4.48Å; C155-M265 PolarHBondContact SG-SD 3.06Å; L159-M265 HydrophobicContact CD2-CE 3.67Å; L159-M265 HydrophobicContact CG-CE 3.87Å; M265-L299 CarbonylContact C-O 3.53Å; M265-L299 VanDerWaalsContact CA-O 3.27Å; M265-L299 WeakPolarHBondContact CA-O 3.49Å; M265-L299 HydrophobicContact CB-CB 4.17Å; M265-L299 HydrophobicContact CB-CD1 4.45Å; M265-L299 HydrophobicContact CE-CB 4.36Å; M265-L299 HydrophobicContact CE-CD1 3.69Å; M265-L299 HydrophobicContact CG-CB 4.08Å; M265-F303 HydrophobicContact CE-CD2 4.18Å; M265-F303 HydrophobicContact CE-CG 4.23Å; M265-F303 HydrophobicContact CG-CD2 3.53Å; M265-F303 HydrophobicContact CG-CE2 3.66Å; M265-F303 HydrophobicContact CG-CG 4.45Å; M265-F303 HydrophobicContact SD-CB 4.13Å; M265-F303 HydrophobicContact SD-CD2 3.59Å; M265-F303 VanDerWaalsContact SD-CD2 3.59Å; M265-F303 HydrophobicContact SD-CE2 4.24Å; M265-F303 HydrophobicContact SD-CG 3.96Å; M265-L314 WeakPolarHBondContact O-CA 3.5Å; M265-T315 PolarHBondContact N-O 2.97Å; M265-T315 PolarHBondContact O-N 3.34Å
266V98.6Very high97.2Very high0 Ų042.6 Ų42.60%026%0.258CS..EExtended strand (participates in β ladder)trans-100.1103.4169.2-179.10000107.1M264 L277 I280 A281 L299 V300 G301 L314M264-V266 HydrophobicContact CE-CG2 4.14Å; V266-L277 HydrophobicContact CG1-CD2 4.47Å; V266-I280 HydrophobicContact CG1-CB 4.47Å; V266-I280 HydrophobicContact CG1-CG2 3.75Å; V266-A281 HydrophobicContact CG2-CB 4.41Å; V266-L299 PolarHBondContact N-O 3.45Å; V266-V300 HydrophobicContact CB-CG1 4.24Å; V266-V300 HydrophobicContact CB-CG2 4.25Å; V266-V300 HydrophobicContact CG1-CG1 4.45Å; V266-V300 HydrophobicContact CG2-CG2 4.46Å; V266-V300 WeakPolarHBondContact O-CA 3.37Å; V266-G301 PolarHBondContact O-N 3.45Å; V266-G301 VanDerWaalsContact O-N 3.1Å; V266-L314 HydrophobicContact CG2-CD1 3.86Å
267N98.7Very high97.3Very high0 Ų041.5 Ų41.50%025%0.251CS..EExtended strand (participates in β ladder)trans-98.8129.3-176.7170.768.5000110.9C155 G301 F303 M304 I312 S313C155-N267 HydrophobicContact CB-CB 4.19Å; C155-N267 VanDerWaalsContact SG-CB 3.5Å; N267-G301 CarbonylContact C-O 3.58Å; N267-G301 VanDerWaalsContact CA-O 3.28Å; N267-G301 WeakPolarHBondContact CA-O 3.44Å; N267-F303 HydrophobicContact CB-CD2 4.21Å; N267-F303 PolarHBondContact OD1-N 2.86Å; N267-M304 PolarHBondContact ND2-O 2.76Å; N267-M304 PolarHBondContact OD1-N 3.23Å; N267-M304 PolarHBondContact OD1-O 3.05Å; N267-I312 CarbonylContact O-C 3.57Å; N267-I312 WeakPolarHBondContact O-CA 3.44Å; N267-I312 WeakPolarHBondContact O-CB 3.28Å; N267-S313 WeakPolarHBondContact CB-OG 3.29Å; N267-S313 PolarHBondContact N-O 2.94Å; N267-S313 PolarHBondContact ND2-OG 2.86Å; N267-S313 PolarHBondContact O-N 2.85Å
268N98.4Very high97.5Very high8 Ų837.1 Ų37.14%0.04324%0.243CC..EExtended strand (participates in β ladder)trans-78.9129.3168.9-169.1-9.4000109.7G270 L272 L277 G301 T302N268-G270 PolarHBondContact O-N 2.72Å; N268-G270 PolarHBondContact OD1-N 3.2Å; N268-L272 PolarHBondContact ND2-O 2.81Å; N268-L272 PolarHBondContact OD1-N 2.89Å; N268-L277 HydrophobicContact CB-CD1 3.88Å; N268-L277 HydrophobicContact CB-CD2 3.83Å; N268-L277 HydrophobicContact CB-CG 4.42Å; N268-G301 PolarHBondContact N-O 2.77Å; N268-T302 WeakPolarHBondContact CB-OG1 3.43Å
269L97.8Very high97.6Very high4 Ų436.1 Ų36.12%0.02123%0.23CC..  trans-78.5-5175.1-63.3171.7000112.8S305 A306 M309 G311L269-S305 CarbonylContact O-C 3.48Å; L269-S305 WeakPolarHBondContact O-CA 3.39Å; L269-S305 WeakPolarHBondContact O-CB 3.12Å; L269-A306 CarbonylContact O-C 3.46Å; L269-A306 PolarHBondContact O-N 2.89Å; L269-M309 CarbonylContact C-O 3.26Å; L269-M309 VanDerWaalsContact C-O 3.23Å; L269-M309 HydrophobicContact CB-CB 4.04Å; L269-M309 HydrophobicContact CB-CE 3.93Å; L269-M309 HydrophobicContact CB-CG 4.37Å; L269-M309 WeakPolarHBondContact CB-O 3.41Å; L269-M309 HydrophobicContact CD1-CE 3.37Å; L269-M309 HydrophobicContact CD2-CE 4.05Å; L269-M309 HydrophobicContact CG-CE 3.97Å; L269-G311 WeakPolarHBondContact CB-O 3.42Å; L269-G311 PolarHBondContact N-O 2.84Å
270G96.1Very high97.7Very high32 Ų3233.9 Ų33.933%0.3320%0.203SC..BIsolated β-bridgetrans129.3-24.6164.300000114.3N268 L307 M309N268-G270 PolarHBondContact O-N 2.72Å; N268-G270 PolarHBondContact OD1-N 3.2Å; G270-L307 WeakPolarHBondContact CA-O 3.29Å; G270-M309 PolarHBondContact N-O 2.95Å
271G95.8Very high97.7Very high37 Ų3733.9 Ų33.938%0.38120%0.204SC..SBendtrans-100.5-1.3-172.400000116.7E308 M309G271-E308 VanDerWaalsContact CA-O 3.26Å; G271-E308 WeakPolarHBondContact CA-O 3.4Å; G271-M309 PolarHBondContact N-O 2.91Å
272L96.9Very high97.7Very high25 Ų2536.3 Ų36.313%0.13121%0.214CC..  trans-96.9152-178.1-58.9-172.7000113.7L195 N268 E276 P310 I312L195-L272 HydrophobicContact CD1-CD2 4Å; N268-L272 PolarHBondContact ND2-O 2.81Å; N268-L272 PolarHBondContact OD1-N 2.89Å; L272-E276 HydrophobicContact CB-CB 4.47Å; L272-P310 HydrophobicContact CD2-CB 3.79Å; L272-I312 HydrophobicContact CD1-CG2 3.41Å; L272-I312 VanDerWaalsContact CD1-CG2 3.41Å
273S97.4Very high97.7Very high53 Ų5336.4 Ų36.437%0.37122%0.216SC..  trans-75.8158.4173.170.30000112.6L275 E276 L277S273-L275 PolarHBondContact O-N 3.24Å; S273-E276 VanDerWaalsContact CB-OE2 3.31Å; S273-E276 WeakPolarHBondContact CB-OE2 3.46Å; S273-E276 PolarHBondContact N-OE2 3.46Å; S273-E276 PolarHBondContact O-N 3.47Å; S273-E276 WeakPolarHBondContact OG-CG 3.09Å; S273-E276 PolarHBondContact OG-N 3Å; S273-E276 PolarHBondContact OG-OE2 3.1Å; S273-L277 WeakPolarHBondContact O-CG 3.48Å; S273-L277 PolarHBondContact O-N 2.95Å; S273-L277 VanDerWaalsContact O-N 3.1Å
274F95.4Very high97.7Very high172 Ų17236.4 Ų36.475%0.75422%0.216SC*.Hα-helixtrans-63.9-25.5172.5-75.1-71.3000113.3L277 G278F274-L277 HydrophobicContact CD1-CD1 4.01Å; F274-L277 HydrophobicContact CE1-CD1 4.33Å; F274-G278 PolarHBondContact O-N 2.76Å
275L97.3Very high97.6Very high126 Ų12637.1 Ų37.166%0.6622%0.22SC*.Hα-helixtrans-61.6-50.7173.4-177.8156.7000109.9S273 L277 G278 I279S273-L275 PolarHBondContact O-N 3.24Å; L275-L277 PolarHBondContact O-N 3.49Å; L275-G278 PolarHBondContact O-N 2.69Å; L275-I279 HydrophobicContact CD2-CD1 3.62Å; L275-I279 WeakPolarHBondContact O-CG1 3.27Å; L275-I279 PolarHBondContact O-N 3.49Å
276E97.9Very high97.6Very high69 Ų6942.2 Ų42.232%0.32224%0.239SC..Hα-helixtrans-63.5-42.3178.7-68.5162.2101.400111.8L272 S273 G278 I279 I280L272-E276 HydrophobicContact CB-CB 4.47Å; S273-E276 VanDerWaalsContact CB-OE2 3.31Å; S273-E276 WeakPolarHBondContact CB-OE2 3.46Å; S273-E276 PolarHBondContact N-OE2 3.46Å; S273-E276 PolarHBondContact O-N 3.47Å; S273-E276 WeakPolarHBondContact OG-CG 3.09Å; S273-E276 PolarHBondContact OG-N 3Å; S273-E276 PolarHBondContact OG-OE2 3.1Å; E276-G278 VanDerWaalsContact C-N 3.28Å; E276-G278 PolarHBondContact O-N 2.91Å; E276-I279 PolarHBondContact O-N 3.29Å; E276-I280 WeakPolarHBondContact O-CG1 3.46Å; E276-I280 PolarHBondContact O-N 3.4Å
277L97.3Very high97.5Very high1 Ų143.5 Ų43.51%0.00525%0.248CC..Hα-helixtrans-59.9-38.6175.7-67177.4000112.3V266 N268 S273 F274 L275 I280 A281 V300 I312V266-L277 HydrophobicContact CG1-CD2 4.47Å; N268-L277 HydrophobicContact CB-CD1 3.88Å; N268-L277 HydrophobicContact CB-CD2 3.83Å; N268-L277 HydrophobicContact CB-CG 4.42Å; S273-L277 WeakPolarHBondContact O-CG 3.48Å; S273-L277 PolarHBondContact O-N 2.95Å; S273-L277 VanDerWaalsContact O-N 3.1Å; F274-L277 HydrophobicContact CD1-CD1 4.01Å; F274-L277 HydrophobicContact CE1-CD1 4.33Å; L275-L277 PolarHBondContact O-N 3.49Å; L277-I280 PolarHBondContact O-N 3.32Å; L277-A281 VanDerWaalsContact O-CB 3.26Å; L277-A281 WeakPolarHBondContact O-CB 3.42Å; L277-A281 PolarHBondContact O-N 3.17Å; L277-V300 HydrophobicContact CB-CG1 4.16Å; L277-I312 HydrophobicContact CD2-CG2 3.76Å
278G97.4Very high97.5Very high43 Ų4343.6 Ų43.644%0.44325%0.248SC..Hα-helixtrans-62.9-42.117600000112.6F274 L275 E276 A281 D282F274-G278 PolarHBondContact O-N 2.76Å; L275-G278 PolarHBondContact O-N 2.69Å; E276-G278 VanDerWaalsContact C-N 3.28Å; E276-G278 PolarHBondContact O-N 2.91Å; G278-A281 PolarHBondContact O-N 3.45Å; G278-D282 PolarHBondContact O-N 2.88Å; G278-D282 VanDerWaalsContact O-N 3.07Å
279I98.4Very high97.4Very high85 Ų8545.6 Ų45.644%0.43626%0.258SS..Hα-helixtrans-64-48176.5-64.3170.4000110.6A234 L275 E276 A281 D282 A283A234-I279 HydrophobicContact CB-CG2 3.6Å; L275-I279 HydrophobicContact CD2-CD1 3.62Å; L275-I279 WeakPolarHBondContact O-CG1 3.27Å; L275-I279 PolarHBondContact O-N 3.49Å; E276-I279 PolarHBondContact O-N 3.29Å; I279-A281 VanDerWaalsContact C-N 3.33Å; I279-A281 PolarHBondContact O-N 3.15Å; I279-D282 PolarHBondContact O-N 3.36Å; I279-A283 WeakPolarHBondContact O-CB 3.43Å; I279-A283 PolarHBondContact O-N 3.38Å
280I98.4Very high97.4Very high20 Ų2048.8 Ų48.810%0.10329%0.291CS..Hα-helixtrans-63.2-40.1179.1-66.8-70.4000111.3A234 V238 V266 E276 L277 A283 A284 I312A234-I280 HydrophobicContact CB-CD1 3.86Å; V238-I280 HydrophobicContact CG2-CD1 3.94Å; V238-I280 HydrophobicContact CG2-CG2 3.99Å; V266-I280 HydrophobicContact CG1-CB 4.47Å; V266-I280 HydrophobicContact CG1-CG2 3.75Å; E276-I280 WeakPolarHBondContact O-CG1 3.46Å; E276-I280 PolarHBondContact O-N 3.4Å; L277-I280 PolarHBondContact O-N 3.32Å; I280-A283 PolarHBondContact O-N 3.19Å; I280-A284 WeakPolarHBondContact O-CB 3.37Å; I280-A284 PolarHBondContact O-N 2.82Å; I280-I312 HydrophobicContact CG2-CD1 4.25Å; I280-I312 HydrophobicContact CG2-CG1 4.19Å
281A97.9Very high97.4Very high13 Ų1350.3 Ų50.311%0.10729%0.287CS..Hα-helixtrans-63.3-45177.900000112.2V266 L277 G278 I279 A284 V285 V300V266-A281 HydrophobicContact CG2-CB 4.41Å; L277-A281 VanDerWaalsContact O-CB 3.26Å; L277-A281 WeakPolarHBondContact O-CB 3.42Å; L277-A281 PolarHBondContact O-N 3.17Å; G278-A281 PolarHBondContact O-N 3.45Å; I279-A281 VanDerWaalsContact C-N 3.33Å; I279-A281 PolarHBondContact O-N 3.15Å; A281-A284 PolarHBondContact O-N 3.15Å; A281-V285 VanDerWaalsContact O-CG2 3.29Å; A281-V285 WeakPolarHBondContact O-CG2 3.48Å; A281-V285 PolarHBondContact O-N 2.9Å; A281-V300 HydrophobicContact CB-CG1 4.18Å; A281-V300 HydrophobicContact CB-CG2 3.78Å
282D97.5Very high97.5Very high74 Ų7450.6 Ų50.640%0.39629%0.289SS..Hα-helixtrans-62.1-45.5175.2178.474.3000111.8G278 I279 A284 V285 R286G278-D282 PolarHBondContact O-N 2.88Å; G278-D282 VanDerWaalsContact O-N 3.07Å; I279-D282 PolarHBondContact O-N 3.36Å; D282-A284 VanDerWaalsContact C-N 3.32Å; D282-A284 PolarHBondContact O-N 2.78Å; D282-V285 PolarHBondContact O-N 3.37Å; D282-R286 PolarHBondContact O-N 3.02Å; D282-R286 IonicContact OD2-CZ 2.9Å; D282-R286 IonicContact OD2-NE 3.1Å; D282-R286 PolarHBondContact OD2-NE 3Å; D282-R286 IonicContact OD2-NH2 3.97Å; D282-R286 PolarHBondContact OD2-NH2 3.45Å
283A98.4Very high97.5Very high3 Ų349.5 Ų49.53%0.02528%0.284CS..Hα-helixtrans-58-4317600000112.1D235 V238 I279 I280 S287D235-A283 VanDerWaalsContact OD1-CB 3.27Å; D235-A283 WeakPolarHBondContact OD1-CB 3.38Å; V238-A283 HydrophobicContact CB-CB 4.17Å; V238-A283 HydrophobicContact CG1-CB 4.35Å; V238-A283 HydrophobicContact CG2-CB 3.97Å; I279-A283 WeakPolarHBondContact O-CB 3.43Å; I279-A283 PolarHBondContact O-N 3.38Å; I280-A283 PolarHBondContact O-N 3.19Å; A283-S287 WeakPolarHBondContact O-CB 3.39Å; A283-S287 PolarHBondContact O-N 2.77Å
284A98.4Very high97.6Very high0 Ų051.1 Ų51.10%028%0.284CS..Hα-helixtrans-67.3-41.8178.200000112V238 M264 I280 A281 D282 S287 L288 L314V238-A284 HydrophobicContact CG1-CB 3.97Å; M264-A284 HydrophobicContact CE-CB 4.38Å; M264-A284 HydrophobicContact SD-CB 3.65Å; I280-A284 WeakPolarHBondContact O-CB 3.37Å; I280-A284 PolarHBondContact O-N 2.82Å; A281-A284 PolarHBondContact O-N 3.15Å; D282-A284 VanDerWaalsContact C-N 3.32Å; D282-A284 PolarHBondContact O-N 2.78Å; A284-S287 PolarHBondContact O-N 3.09Å; A284-L288 WeakPolarHBondContact O-CB 3.38Å; A284-L288 WeakPolarHBondContact O-CG 3.42Å; A284-L288 PolarHBondContact O-N 3.05Å; A284-L314 HydrophobicContact CB-CD1 4.19Å
285V97.8Very high97.7Very high14 Ų1443 Ų439%0.08525%0.248CC..Hα-helixtrans-60.3-53.5175.1168.20000110.8M264 A281 D282 S287 L288 E289 I295 I344M264-V285 HydrophobicContact CE-CG2 3.76Å; A281-V285 VanDerWaalsContact O-CG2 3.29Å; A281-V285 WeakPolarHBondContact O-CG2 3.48Å; A281-V285 PolarHBondContact O-N 2.9Å; D282-V285 PolarHBondContact O-N 3.37Å; V285-S287 VanDerWaalsContact C-N 3.32Å; V285-S287 PolarHBondContact O-N 3.1Å; V285-L288 PolarHBondContact O-N 2.65Å; V285-E289 HydrophobicContact CG1-CG 4.43Å; V285-E289 WeakPolarHBondContact O-CB 3.41Å; V285-E289 VanDerWaalsContact O-CG 3.32Å; V285-E289 WeakPolarHBondContact O-CG 3.27Å; V285-E289 PolarHBondContact O-N 3.37Å; V285-I295 HydrophobicContact CB-CD1 4.06Å; V285-I295 HydrophobicContact CG1-CD1 4.02Å; V285-I295 HydrophobicContact CG2-CD1 3.91Å; V285-I344 HydrophobicContact CG1-CG2 4.24Å; V285-I344 HydrophobicContact CG2-CG2 4.28Å
286R97Very high97.7Very high108 Ų10837 Ų3741%0.40822%0.218SC..Hα-helixtrans-59-42.9178.7-77-170.7-73.21154.1112D235 D282 G290D235-R286 IonicContact OD1-CZ 2.77Å; D235-R286 IonicContact OD1-NH1 3.98Å; D235-R286 IonicContact OD1-NH2 2.72Å; D235-R286 PolarHBondContact OD1-NH2 3.18Å; D235-R286 IonicContact OD2-CZ 3.76Å; D235-R286 IonicContact OD2-NH1 3.27Å; D235-R286 PolarHBondContact OD2-NH1 3.34Å; D235-R286 IonicContact OD2-NH2 3.96Å; D235-R286 PolarHBondContact OD2-NH2 3.3Å; D282-R286 PolarHBondContact O-N 3.02Å; D282-R286 IonicContact OD2-CZ 2.9Å; D282-R286 IonicContact OD2-NE 3.1Å; D282-R286 PolarHBondContact OD2-NE 3Å; D282-R286 IonicContact OD2-NH2 3.97Å; D282-R286 PolarHBondContact OD2-NH2 3.45Å; R286-G290 PolarHBondContact O-N 3.28Å
287S98Very high97.7Very high27 Ų2734.9 Ų34.919%0.18921%0.207CC..Hα-helixtrans-66.8-42.7-178.3-165.50000112.3L242 A283 A284 V285 R291L242-S287 WeakPolarHBondContact CD1-OG 3.37Å; A283-S287 WeakPolarHBondContact O-CB 3.39Å; A283-S287 PolarHBondContact O-N 2.77Å; A284-S287 PolarHBondContact O-N 3.09Å; V285-S287 VanDerWaalsContact C-N 3.32Å; V285-S287 PolarHBondContact O-N 3.1Å; S287-R291 VanDerWaalsContact O-CG 3.3Å; S287-R291 WeakPolarHBondContact O-CG 3.35Å; S287-R291 PolarHBondContact O-N 3.23Å
288L98.2Very high97.6Very high1 Ų136 Ų361%0.00522%0.216CC..Hα-helixtrans-68-43.6175.7-73.8170.7000112.3L242 M264 A284 V285 G290 R291 G292 V293 I295 L316L242-L288 HydrophobicContact CD1-CD2 4.26Å; L242-L288 HydrophobicContact CD1-CG 4.14Å; L242-L288 HydrophobicContact CD2-CD2 3.78Å; L242-L288 HydrophobicContact CD2-CG 4.29Å; M264-L288 HydrophobicContact CB-CD1 4.41Å; M264-L288 HydrophobicContact CG-CD1 4.12Å; M264-L288 HydrophobicContact SD-CD1 3.55Å; M264-L288 VanDerWaalsContact SD-CD1 3.55Å; A284-L288 WeakPolarHBondContact O-CB 3.38Å; A284-L288 WeakPolarHBondContact O-CG 3.42Å; A284-L288 PolarHBondContact O-N 3.05Å; V285-L288 PolarHBondContact O-N 2.65Å; L288-G290 VanDerWaalsContact C-N 3.33Å; L288-G290 PolarHBondContact O-N 3.26Å; L288-R291 WeakPolarHBondContact O-CB 3.39Å; L288-R291 PolarHBondContact O-N 2.77Å; L288-R291 VanDerWaalsContact O-N 3.08Å; L288-G292 PolarHBondContact O-N 3.24Å; L288-V293 HydrophobicContact CB-CB 4.28Å; L288-V293 HydrophobicContact CD2-CB 4.35Å; L288-V293 HydrophobicContact CD2-CG1 4.31Å; L288-V293 HydrophobicContact CD2-CG2 4.45Å; L288-V293 WeakPolarHBondContact O-CB 3.21Å; L288-V293 PolarHBondContact O-N 2.9Å; L288-I295 HydrophobicContact CB-CD1 3.97Å; L288-I295 HydrophobicContact CB-CG1 4.17Å; L288-I295 HydrophobicContact CD1-CD1 4.04Å; L288-I295 HydrophobicContact CD1-CG1 4.12Å; L288-L316 HydrophobicContact CD1-CD2 3.89Å; L288-L316 HydrophobicContact CD2-CD1 4.16Å; L288-L316 HydrophobicContact CD2-CD2 4.24Å
289E96.8Very high97.7Very high51 Ų5134 Ų3424%0.23820%0.195CC..Hα-helixtrans-63.6-39.3176.7-71.9-176.2147.800111.8V285 R291 G292 I295 T345 R349V285-E289 HydrophobicContact CG1-CG 4.43Å; V285-E289 WeakPolarHBondContact O-CB 3.41Å; V285-E289 VanDerWaalsContact O-CG 3.32Å; V285-E289 WeakPolarHBondContact O-CG 3.27Å; V285-E289 PolarHBondContact O-N 3.37Å; E289-R291 PolarHBondContact O-N 2.99Å; E289-G292 WeakPolarHBondContact O-CA 3.47Å; E289-G292 PolarHBondContact O-N 2.95Å; E289-I295 HydrophobicContact CG-CD1 4.29Å; E289-T345 HydrophobicContact CG-CG2 4.39Å; E289-T345 VanDerWaalsContact OE1-CA 3.24Å; E289-T345 WeakPolarHBondContact OE1-CA 3.38Å; E289-T345 PolarHBondContact OE1-OG1 2.98Å; E289-R349 IonicContact OE1-CZ 2.67Å; E289-R349 IonicContact OE1-NH2 3.06Å; E289-R349 PolarHBondContact OE1-NH2 3.44Å; E289-R349 IonicContact OE2-CZ 2.72Å; E289-R349 VanDerWaalsContact OE2-CZ 3.3Å; E289-R349 IonicContact OE2-NH1 3.17Å; E289-R349 PolarHBondContact OE2-NH1 2.92Å; E289-R349 IonicContact OE2-NH2 2.68Å; E289-R349 PolarHBondContact OE2-NH2 2.9Å
290G96.2Very high97.6Very high70 Ų7032.8 Ų32.872%0.72219%0.192SC*.Hα-helixtrans-62.4-24.4173.200000113.7R286 L288 G292R286-G290 PolarHBondContact O-N 3.28Å; L288-G290 VanDerWaalsContact C-N 3.33Å; L288-G290 PolarHBondContact O-N 3.26Å; G290-G292 VanDerWaalsContact C-N 3.3Å
291R96.6Very high97.6Very high65 Ų6532.2 Ų32.225%0.24519%0.191CC..THydrogen-bonded Turntrans-85.42.5171.5-65.4169.8-164.9-104-7.2113.3D243 T246 S287 L288 E289 V293D243-R291 IonicContact OD1-CZ 3.15Å; D243-R291 IonicContact OD1-NH1 2.78Å; D243-R291 PolarHBondContact OD1-NH1 2.99Å; D243-R291 IonicContact OD1-NH2 3.37Å; D243-R291 PolarHBondContact OD1-NH2 3.36Å; T246-R291 PolarHBondContact OG1-NH1 2.86Å; S287-R291 VanDerWaalsContact O-CG 3.3Å; S287-R291 WeakPolarHBondContact O-CG 3.35Å; S287-R291 PolarHBondContact O-N 3.23Å; L288-R291 WeakPolarHBondContact O-CB 3.39Å; L288-R291 PolarHBondContact O-N 2.77Å; L288-R291 VanDerWaalsContact O-N 3.08Å; E289-R291 PolarHBondContact O-N 2.99Å; R291-V293 VanDerWaalsContact C-N 3.3Å; R291-V293 HydrophobicContact CB-CG2 4.04Å; R291-V293 PolarHBondContact O-N 3.47Å
292G97.3Very high97.6Very high42 Ų4234 Ų3443%0.43320%0.2SC..THydrogen-bonded Turntrans72.120.5-175.600000114G259 L288 E289 G290G259-G292 PolarHBondContact N-O 3.23Å; L288-G292 PolarHBondContact O-N 3.24Å; E289-G292 WeakPolarHBondContact O-CA 3.47Å; E289-G292 PolarHBondContact O-N 2.95Å; G290-G292 VanDerWaalsContact C-N 3.3Å
293V98.2Very high97.7Very high3 Ų330.8 Ų30.82%0.01818%0.183CC..  trans-88.7132.4178.7-179.20000109.9V256 V262 L288 R291V256-V293 HydrophobicContact CG1-CB 4.42Å; V256-V293 HydrophobicContact CG1-CG1 4.09Å; V256-V293 HydrophobicContact CG1-CG2 3.4Å; V256-V293 VanDerWaalsContact CG1-CG2 3.4Å; V262-V293 HydrophobicContact CB-CG1 4.46Å; V262-V293 HydrophobicContact CG1-CG1 3.91Å; V262-V293 HydrophobicContact CG2-CG1 3.75Å; L288-V293 HydrophobicContact CB-CB 4.28Å; L288-V293 HydrophobicContact CD2-CB 4.35Å; L288-V293 HydrophobicContact CD2-CG1 4.31Å; L288-V293 HydrophobicContact CD2-CG2 4.45Å; L288-V293 WeakPolarHBondContact O-CB 3.21Å; L288-V293 PolarHBondContact O-N 2.9Å; R291-V293 VanDerWaalsContact C-N 3.3Å; R291-V293 HydrophobicContact CB-CG2 4.04Å; R291-V293 PolarHBondContact O-N 3.47Å
294K98.2Very high97.7Very high87 Ų8730.6 Ų30.638%0.37818%0.181SC..EExtended strand (participates in β ladder)trans-85.7117.8176179.1-176.4172.6-169.30110.5S260 S261 V262 A296S260-K294 PolarHBondContact O-N 3.49Å; S261-K294 CarbonylContact C-O 3.56Å; S261-K294 VanDerWaalsContact CA-O 3.26Å; S261-K294 WeakPolarHBondContact CA-O 3.26Å; S261-K294 PolarHBondContact OG-O 3.18Å; V262-K294 PolarHBondContact N-O 2.8Å; K294-A296 PolarHBondContact O-N 3.37Å
295I98.1Very high97.7Very high0 Ų031 Ų310%018%0.184CC..EExtended strand (participates in β ladder)trans-87.5102.1174.9-52.6170000108.3M264 V285 L288 E289 R297 A298 S343 I344 T345M264-I295 HydrophobicContact CB-CG2 4.2Å; V285-I295 HydrophobicContact CB-CD1 4.06Å; V285-I295 HydrophobicContact CG1-CD1 4.02Å; V285-I295 HydrophobicContact CG2-CD1 3.91Å; L288-I295 HydrophobicContact CB-CD1 3.97Å; L288-I295 HydrophobicContact CB-CG1 4.17Å; L288-I295 HydrophobicContact CD1-CD1 4.04Å; L288-I295 HydrophobicContact CD1-CG1 4.12Å; E289-I295 HydrophobicContact CG-CD1 4.29Å; I295-R297 WeakPolarHBondContact CG2-O 3.41Å; I295-A298 HydrophobicContact CG2-CB 4.31Å; I295-S343 PolarHBondContact O-OG 3.21Å; I295-I344 HydrophobicContact CB-CB 4.06Å; I295-I344 HydrophobicContact CG2-CB 3.91Å; I295-I344 HydrophobicContact CG2-CG1 3.91Å; I295-I344 PolarHBondContact O-N 3.3Å; I295-T345 PolarHBondContact N-OG1 3.48Å; I295-T345 PolarHBondContact O-N 2.63Å
296A97.8Very high97.6Very high2 Ų230.4 Ų30.42%0.01718%0.18CC..EExtended strand (participates in β ladder)trans-75-43179.700000111.3V262 K294 V319 L324 S343V262-A296 PolarHBondContact O-N 3.07Å; K294-A296 PolarHBondContact O-N 3.37Å; A296-V319 HydrophobicContact CB-CG2 4.08Å; A296-L324 HydrophobicContact CB-CD1 3.77Å; A296-L324 HydrophobicContact CB-CD2 3.75Å; A296-L324 HydrophobicContact CB-CG 4.37Å; A296-S343 VanDerWaalsContact O-CA 3.32Å; A296-S343 WeakPolarHBondContact O-CA 3.32Å
297R97.4Very high97.5Very high24 Ų2427 Ų279%0.09117%0.17CC..EExtended strand (participates in β ladder)trans-138.2149.7171.3-55.1-69.4176-98.32.2109.4V263 M264 I295 L324 D328 A341 V342V263-R297 HydrophobicContact CG1-CB 4.25Å; V263-R297 HydrophobicContact CG2-CB 4.06Å; V263-R297 HydrophobicContact CG2-CG 4.21Å; M264-R297 PolarHBondContact N-O 3.46Å; I295-R297 WeakPolarHBondContact CG2-O 3.41Å; R297-L324 HydrophobicContact CG-CD2 4.18Å; R297-D328 IonicContact CZ-OD1 2.84Å; R297-D328 IonicContact CZ-OD2 3.77Å; R297-D328 IonicContact NE-OD1 3.59Å; R297-D328 PolarHBondContact NE-OD1 2.86Å; R297-D328 IonicContact NE-OD2 3.83Å; R297-D328 IonicContact NH2-OD1 3.9Å; R297-D328 PolarHBondContact NH2-OD1 3.22Å; R297-D328 IonicContact NH2-OD2 2.87Å; R297-D328 PolarHBondContact NH2-OD2 3.01Å; R297-A341 PolarHBondContact NH2-O 3.14Å; R297-V342 VanDerWaalsContact NH1-C 3.27Å
298A96.6Very high97.3Very high23 Ų2328.5 Ų28.519%0.1917%0.174CC..EExtended strand (participates in β ladder)trans-124.5126.9169.500000109M264 I295 I344M264-A298 HydrophobicContact CE-CB 3.75Å; M264-A298 CarbonylContact O-C 3.59Å; M264-A298 WeakPolarHBondContact O-CA 3.48Å; I295-A298 HydrophobicContact CG2-CB 4.31Å; A298-I344 HydrophobicContact CB-CD1 4.18Å; A298-I344 HydrophobicContact CB-CG1 3.77Å
299L97.9Very high97.2Very high1 Ų128.5 Ų28.51%0.00517%0.174CC..EExtended strand (participates in β ladder)trans-114.3122.2177.8-61.3152.3000106.7L159 V263 M264 M265 V266 F303 W336 P337 V339L159-L299 HydrophobicContact CD2-CD1 3.8Å; V263-L299 HydrophobicContact CG1-CD1 3.72Å; M264-L299 PolarHBondContact O-N 3.11Å; M265-L299 CarbonylContact C-O 3.53Å; M265-L299 VanDerWaalsContact CA-O 3.27Å; M265-L299 WeakPolarHBondContact CA-O 3.49Å; M265-L299 HydrophobicContact CB-CB 4.17Å; M265-L299 HydrophobicContact CB-CD1 4.45Å; M265-L299 HydrophobicContact CE-CB 4.36Å; M265-L299 HydrophobicContact CE-CD1 3.69Å; M265-L299 HydrophobicContact CG-CB 4.08Å; V266-L299 PolarHBondContact N-O 3.45Å; L299-F303 HydrophobicContact CB-CE2 4.11Å; L299-F303 HydrophobicContact CB-CZ 3.92Å; L299-W336 HydrophobicContact CD1-CH2 4.36Å; L299-W336 HydrophobicContact CD2-CZ2 4.45Å; L299-P337 HydrophobicContact CD2-CG 3.33Å; L299-V339 HydrophobicContact CD2-CG1 3.97Å; L299-V339 HydrophobicContact CD2-CG2 3.76Å
300V97.8Very high97.1Very high61 Ų6127.2 Ų27.237%0.3717%0.17SC..EExtended strand (participates in β ladder)trans-131.2124.1-177.8-174.50000108.5V266 L277 A281V266-V300 HydrophobicContact CB-CG1 4.24Å; V266-V300 HydrophobicContact CB-CG2 4.25Å; V266-V300 HydrophobicContact CG1-CG1 4.45Å; V266-V300 HydrophobicContact CG2-CG2 4.46Å; V266-V300 WeakPolarHBondContact O-CA 3.37Å; L277-V300 HydrophobicContact CB-CG1 4.16Å; A281-V300 HydrophobicContact CB-CG1 4.18Å; A281-V300 HydrophobicContact CB-CG2 3.78Å
301G97.9Very high97.1Very high8 Ų824 Ų248%0.08214%0.137CC..EExtended strand (participates in β ladder)trans156.6-164.6-177.600000112.8V266 N267 N268V266-G301 PolarHBondContact O-N 3.45Å; V266-G301 VanDerWaalsContact O-N 3.1Å; N267-G301 CarbonylContact C-O 3.58Å; N267-G301 VanDerWaalsContact CA-O 3.28Å; N267-G301 WeakPolarHBondContact CA-O 3.44Å; N268-G301 PolarHBondContact N-O 2.77Å
302T98.3Very high97.2Very high51 Ų5121 Ų2131%0.31313%0.126SC..  trans-98.6110175.5-50.90000109P61 N268P61-T302 WeakPolarHBondContact CD-O 3.24Å; P61-T302 VanDerWaalsContact CG-O 3.28Å; P61-T302 WeakPolarHBondContact CG-O 3.34Å; N268-T302 WeakPolarHBondContact CB-OG1 3.43Å
303F98.4Very high97.3Very high5 Ų519.2 Ų19.22%0.02211%0.107CC..SBendtrans-114.3-38.7-179.5-54-70.4000111.8A62 F66 V158 M265 N267 L299 P337A62-F303 WeakPolarHBondContact CB-O 3.48Å; A62-F303 PolarHBondContact N-O 3.08Å; F66-F303 VanDerWaalsContact CE2-O 3.26Å; F66-F303 WeakPolarHBondContact CE2-O 3.41Å; F66-F303 HydrophobicContact CZ-CB 4.25Å; F66-F303 WeakPolarHBondContact CZ-O 3.41Å; V158-F303 HydrophobicContact CG2-CB 4.4Å; M265-F303 HydrophobicContact CE-CD2 4.18Å; M265-F303 HydrophobicContact CE-CG 4.23Å; M265-F303 HydrophobicContact CG-CD2 3.53Å; M265-F303 HydrophobicContact CG-CE2 3.66Å; M265-F303 HydrophobicContact CG-CG 4.45Å; M265-F303 HydrophobicContact SD-CB 4.13Å; M265-F303 HydrophobicContact SD-CD2 3.59Å; M265-F303 VanDerWaalsContact SD-CD2 3.59Å; M265-F303 HydrophobicContact SD-CE2 4.24Å; M265-F303 HydrophobicContact SD-CG 3.96Å; N267-F303 HydrophobicContact CB-CD2 4.21Å; N267-F303 PolarHBondContact OD1-N 2.86Å; L299-F303 HydrophobicContact CB-CE2 4.11Å; L299-F303 HydrophobicContact CB-CZ 3.92Å; F303-P337 HydrophobicContact CE1-CB 4.17Å; F303-P337 HydrophobicContact CE1-CG 3.62Å; F303-P337 HydrophobicContact CZ-CG 4.02Å
304M98.6Very high97.3Very high0 Ų019.2 Ų19.20%011%0.107CC..SBendtrans-141.799.4173.2-177.2178-67.500108.5H59 A62 K109 L154 C155 V158 I220 N267H59-M304 HydrophobicContact CB-CG 4.09Å; A62-M304 HydrophobicContact CB-CB 3.96Å; A62-M304 HydrophobicContact CB-CE 3.99Å; A62-M304 HydrophobicContact CB-CG 3.92Å; K109-M304 HydrophobicContact CD-CE 4.01Å; K109-M304 HydrophobicContact CD-SD 4.35Å; L154-M304 VanDerWaalsContact O-CE 3.28Å; L154-M304 WeakPolarHBondContact O-CE 3.44Å; C155-M304 HydrophobicContact CB-CB 4.17Å; V158-M304 HydrophobicContact CG2-CE 4.31Å; I220-M304 HydrophobicContact CD1-SD 3.79Å; I220-M304 HydrophobicContact CG2-CG 4.42Å; I220-M304 HydrophobicContact CG2-SD 4.3Å; N267-M304 PolarHBondContact ND2-O 2.76Å; N267-M304 PolarHBondContact OD1-N 3.23Å; N267-M304 PolarHBondContact OD1-O 3.05Å
305S97.9Very high97.3Very high9 Ų915.1 Ų15.16%0.0639%0.089CC..  trans-80178.5180640000112H59 E60 L269H59-S305 VanDerWaalsContact CA-O 3.32Å; H59-S305 WeakPolarHBondContact CA-O 3.48Å; H59-S305 WeakPolarHBondContact CA-OG 3.47Å; H59-S305 WeakPolarHBondContact CB-O 3.46Å; H59-S305 PolarHBondContact ND1-O 3.15Å; H59-S305 PolarHBondContact O-N 3Å; H59-S305 VanDerWaalsContact O-N 3.14Å; H59-S305 PolarHBondContact O-OG 2.86Å; E60-S305 PolarHBondContact N-OG 2.89Å; E60-S305 WeakPolarHBondContact O-CB 3.26Å; E60-S305 PolarHBondContact O-OG 2.65Å; L269-S305 CarbonylContact O-C 3.48Å; L269-S305 WeakPolarHBondContact O-CA 3.39Å; L269-S305 WeakPolarHBondContact O-CB 3.12Å
306A96.4Very high97.3Very high0 Ų015.1 Ų15.10%09%0.089CC..  trans-136.169.7164.400000106.5C198 I220 L269 E308 M309C198-A306 WeakPolarHBondContact CB-O 3.28Å; I220-A306 WeakPolarHBondContact O-CB 3.41Å; L269-A306 CarbonylContact O-C 3.46Å; L269-A306 PolarHBondContact O-N 2.89Å; A306-E308 PolarHBondContact O-N 3.46Å; A306-M309 HydrophobicContact CB-CB 3.96Å; A306-M309 HydrophobicContact CB-CE 3.32Å; A306-M309 HydrophobicContact CB-SD 4.02Å; A306-M309 VanDerWaalsContact O-CB 3.22Å; A306-M309 WeakPolarHBondContact O-CB 3.46Å; A306-M309 PolarHBondContact O-N 2.79Å; A306-M309 VanDerWaalsContact O-N 3.11Å
307L95.3Very high97.4Very high38 Ų3815 Ų1520%0.1999%0.088CC..THydrogen-bonded Turntrans53.5-120.9-172.1-56.9168.3000111.6G58 V80 F81 C198 S199 V200 G270G58-L307 PolarHBondContact O-N 2.96Å; V80-L307 HydrophobicContact CG1-CD1 4.18Å; V80-L307 HydrophobicContact CG1-CD2 4.35Å; F81-L307 HydrophobicContact CE1-CD1 4.25Å; F81-L307 HydrophobicContact CE1-CG 4.08Å; F81-L307 HydrophobicContact CE2-CD1 3.93Å; F81-L307 HydrophobicContact CZ-CD1 3.6Å; F81-L307 HydrophobicContact CZ-CG 3.73Å; C198-L307 HydrophobicContact CB-CB 4.11Å; S199-L307 WeakPolarHBondContact O-CD1 3.08Å; V200-L307 HydrophobicContact CG2-CD1 4.48Å; G270-L307 WeakPolarHBondContact CA-O 3.29Å
308E94.1Very high97.4Very high57 Ų5715.8 Ų15.827%0.2669%0.094SC..THydrogen-bonded Turntrans-95.114.2-178.680.9-78.8-136.700113.8S3 K5 S199 G271 A306 P310S3-E308 PolarHBondContact OG-OE1 3.11Å; K5-E308 VanDerWaalsContact CE-OE1 3.28Å; K5-E308 WeakPolarHBondContact CE-OE1 3.37Å; K5-E308 IonicContact NZ-OE1 3.1Å; K5-E308 PolarHBondContact NZ-OE1 2.72Å; K5-E308 IonicContact NZ-OE2 2.68Å; K5-E308 PolarHBondContact NZ-OE2 3.31Å; S199-E308 WeakPolarHBondContact CB-OE1 3.41Å; S199-E308 PolarHBondContact N-OE1 2.9Å; S199-E308 PolarHBondContact N-OE2 2.9Å; G271-E308 VanDerWaalsContact CA-O 3.26Å; G271-E308 WeakPolarHBondContact CA-O 3.4Å; A306-E308 PolarHBondContact O-N 3.46Å; E308-P310 VanDerWaalsContact O-CD 3.29Å; E308-P310 WeakPolarHBondContact O-CD 3.33Å; E308-P310 VanDerWaalsContact O-N 3.14Å
309M95Very high97.5Very high1 Ų115.4 Ų15.41%0.0059%0.089CC..BIsolated β-bridgetrans-58.1117.6-172.6-167.3153.877.100111.6S194 C198 L218 L269 G270 G271 A306 G311S194-M309 WeakPolarHBondContact OG-CG 3.16Å; C198-M309 HydrophobicContact CB-CB 3.94Å; L218-M309 HydrophobicContact CD1-CE 3.29Å; L218-M309 HydrophobicContact CD1-CG 4.46Å; L218-M309 HydrophobicContact CD1-SD 3.26Å; L218-M309 WeakPolarHBondContact CD1-SD 3.32Å; L218-M309 HydrophobicContact CG-CE 4.25Å; L269-M309 CarbonylContact C-O 3.26Å; L269-M309 VanDerWaalsContact C-O 3.23Å; L269-M309 HydrophobicContact CB-CB 4.04Å; L269-M309 HydrophobicContact CB-CE 3.93Å; L269-M309 HydrophobicContact CB-CG 4.37Å; L269-M309 WeakPolarHBondContact CB-O 3.41Å; L269-M309 HydrophobicContact CD1-CE 3.37Å; L269-M309 HydrophobicContact CD2-CE 4.05Å; L269-M309 HydrophobicContact CG-CE 3.97Å; G270-M309 PolarHBondContact N-O 2.95Å; G271-M309 PolarHBondContact N-O 2.91Å; A306-M309 HydrophobicContact CB-CB 3.96Å; A306-M309 HydrophobicContact CB-CE 3.32Å; A306-M309 HydrophobicContact CB-SD 4.02Å; A306-M309 VanDerWaalsContact O-CB 3.22Å; A306-M309 WeakPolarHBondContact O-CB 3.46Å; A306-M309 PolarHBondContact O-N 2.79Å; A306-M309 VanDerWaalsContact O-N 3.11Å; M309-G311 PolarHBondContact O-N 3.4Å
310P95.4Very high97.4Very high24 Ų2419.9 Ų19.916%0.15611%0.113CC..  trans-7991.3178.531.2-31.7000109.3S194 L195 S196 L272 E308S194-P310 PolarHBondContact OG-O 3.47Å; S194-P310 VanDerWaalsContact OG-O 3.05Å; L195-P310 HydrophobicContact CB-CB 4.47Å; L195-P310 HydrophobicContact CB-CG 4.36Å; L195-P310 WeakPolarHBondContact CB-O 3.34Å; L195-P310 PolarHBondContact N-O 3.28Å; S196-P310 WeakPolarHBondContact OG-CD 3.32Å; S196-P310 WeakPolarHBondContact OG-CG 3.43Å; L272-P310 HydrophobicContact CD2-CB 3.79Å; E308-P310 VanDerWaalsContact O-CD 3.29Å; E308-P310 WeakPolarHBondContact O-CD 3.33Å; E308-P310 VanDerWaalsContact O-N 3.14Å
311G96.4Very high97.4Very high2 Ų222.5 Ų22.52%0.02112%0.121CC..EExtended strand (participates in β ladder)trans-166.4175.7-179.300000112.1V193 L269 M309V193-G311 CarbonylContact O-C 3.53Å; V193-G311 WeakPolarHBondContact O-CA 3.37Å; L269-G311 WeakPolarHBondContact CB-O 3.42Å; L269-G311 PolarHBondContact N-O 2.84Å; M309-G311 PolarHBondContact O-N 3.4Å
312I98.1Very high97.3Very high4 Ų425.8 Ų25.82%0.02114%0.141CC..EExtended strand (participates in β ladder)trans-126.3158.7173.658.490.2000110.9G192 V193 M241 N267 L272 L277 I280G192-I312 CarbonylContact C-O 3.53Å; G192-I312 VanDerWaalsContact CA-O 3.32Å; G192-I312 WeakPolarHBondContact CA-O 3.45Å; V193-I312 HydrophobicContact CG1-CD1 3.74Å; V193-I312 HydrophobicContact CG1-CG1 3.74Å; V193-I312 PolarHBondContact N-O 3.47Å; V193-I312 PolarHBondContact O-N 2.86Å; V193-I312 VanDerWaalsContact O-O 3.12Å; M241-I312 HydrophobicContact CE-CD1 3.6Å; M241-I312 HydrophobicContact SD-CD1 3.55Å; M241-I312 VanDerWaalsContact SD-CD1 3.55Å; N267-I312 CarbonylContact O-C 3.57Å; N267-I312 WeakPolarHBondContact O-CA 3.44Å; N267-I312 WeakPolarHBondContact O-CB 3.28Å; L272-I312 HydrophobicContact CD1-CG2 3.41Å; L272-I312 VanDerWaalsContact CD1-CG2 3.41Å; L277-I312 HydrophobicContact CD2-CG2 3.76Å; I280-I312 HydrophobicContact CG2-CD1 4.25Å; I280-I312 HydrophobicContact CG2-CG1 4.19Å
313S98.5Very high97.3Very high4 Ų424 Ų243%0.02813%0.13CC..EExtended strand (participates in β ladder)trans-123.2145.1155.759.70000111.2L191 N267L191-S313 CarbonylContact O-C 3.57Å; L191-S313 WeakPolarHBondContact O-CA 3.46Å; L191-S313 WeakPolarHBondContact O-CB 3.48Å; N267-S313 WeakPolarHBondContact CB-OG 3.29Å; N267-S313 PolarHBondContact N-O 2.94Å; N267-S313 PolarHBondContact ND2-OG 2.86Å; N267-S313 PolarHBondContact O-N 2.85Å
314L98.7Very high97.3Very high3 Ų324 Ų242%0.01613%0.13CC..EExtended strand (participates in β ladder)trans-109.3121.7175.5-174.466.9000108.3T190 L191 M241 L242 M245 M264 M265 V266 A284T190-L314 CarbonylContact C-O 3.55Å; T190-L314 VanDerWaalsContact CA-O 3.22Å; T190-L314 WeakPolarHBondContact CA-O 3.23Å; L191-L314 PolarHBondContact N-O 3.05Å; L191-L314 PolarHBondContact O-N 2.86Å; M241-L314 HydrophobicContact CE-CB 3.88Å; L242-L314 HydrophobicContact CD1-CD2 4.49Å; L242-L314 HydrophobicContact CD2-CD2 3.48Å; L242-L314 VanDerWaalsContact CD2-CD2 3.48Å; L242-L314 HydrophobicContact CG-CD2 3.79Å; M245-L314 WeakPolarHBondContact CE-O 3.21Å; M264-L314 HydrophobicContact CG-CD1 3.82Å; M264-L314 HydrophobicContact SD-CD1 4.22Å; M265-L314 WeakPolarHBondContact O-CA 3.5Å; V266-L314 HydrophobicContact CG2-CD1 3.86Å; A284-L314 HydrophobicContact CB-CD1 4.19Å
315T98.8Very high97.2Very high0 Ų031.2 Ų31.20%016%0.161CC..EExtended strand (participates in β ladder)trans-110.4133.9173.2-55.30000110L159 G189 T190 M264 M265L159-T315 HydrophobicContact CD1-CG2 4.05Å; G189-T315 CarbonylContact O-C 3.6Å; G189-T315 VanDerWaalsContact O-CA 3.29Å; G189-T315 WeakPolarHBondContact O-CA 2.94Å; T190-T315 WeakPolarHBondContact CG2-OG1 3.45Å; T190-T315 WeakPolarHBondContact OG1-CB 3.17Å; T190-T315 WeakPolarHBondContact OG1-CG2 3.47Å; T190-T315 PolarHBondContact OG1-OG1 3.03Å; M264-T315 WeakPolarHBondContact CA-O 3.38Å; M265-T315 PolarHBondContact N-O 2.97Å; M265-T315 PolarHBondContact O-N 3.34Å
316L98.8Very high97.2Very high0 Ų031.9 Ų31.90%016%0.164CC..EExtended strand (participates in β ladder)trans-116.3124.3169.1-56.2-179.2000108.6M188 G189 L242 M245 V254 V256 M264 L288M188-L316 CarbonylContact C-O 3.38Å; M188-L316 WeakPolarHBondContact CA-O 3.49Å; M188-L316 WeakPolarHBondContact CB-O 3.39Å; G189-L316 PolarHBondContact N-O 3.29Å; G189-L316 PolarHBondContact O-N 2.92Å; L242-L316 HydrophobicContact CD2-CD1 3.79Å; M245-L316 HydrophobicContact CE-CB 4.49Å; M245-L316 HydrophobicContact CE-CD1 4.37Å; M245-L316 HydrophobicContact CE-CG 4.09Å; V254-L316 HydrophobicContact CG1-CB 4.46Å; V256-L316 HydrophobicContact CG2-CD1 4.12Å; M264-L316 HydrophobicContact CB-CD2 4.39Å; M264-L316 HydrophobicContact CG-CD2 4.17Å; L288-L316 HydrophobicContact CD1-CD2 3.89Å; L288-L316 HydrophobicContact CD2-CD1 4.16Å; L288-L316 HydrophobicContact CD2-CD2 4.24Å
317L98.6Very high97.3Very high0 Ų032.1 Ų32.10%017%0.165CC..EExtended strand (participates in β ladder)trans-113.9119.8169.3169.364.2000108.3L159 V184 A187 M188 V262 V263 V319 L323 I327L159-L317 HydrophobicContact CB-CD2 4.3Å; L159-L317 HydrophobicContact CD1-CB 3.82Å; L159-L317 HydrophobicContact CD1-CD2 3.94Å; V184-L317 HydrophobicContact CG1-CD1 3.83Å; V184-L317 HydrophobicContact CG1-CD2 4.41Å; A187-L317 HydrophobicContact CB-CD1 4.36Å; M188-L317 HydrophobicContact CB-CB 4.12Å; M188-L317 HydrophobicContact CB-CD1 3.84Å; V262-L317 CarbonylContact C-O 3.56Å; V262-L317 WeakPolarHBondContact CA-O 3.28Å; V263-L317 HydrophobicContact CB-CB 4.4Å; V263-L317 PolarHBondContact N-O 3.49Å; V263-L317 PolarHBondContact O-N 2.87Å; L317-V319 HydrophobicContact CD2-CG1 4.08Å; L317-V319 HydrophobicContact CG-CG1 3.88Å; L317-L323 HydrophobicContact CD1-CD2 4.32Å; L317-L323 HydrophobicContact CD2-CD2 4.3Å; L317-L323 HydrophobicContact CG-CD2 4.42Å; L317-I327 HydrophobicContact CD2-CD1 4.34Å
318L98.4Very high97.4Very high40 Ų4033 Ų3321%0.20917%0.17CC..EExtended strand (participates in β ladder)trans-66.4135.2170.3-80.287.3000109.7A187 V254 P255 V256A187-L318 HydrophobicContact CB-CB 4.38Å; A187-L318 WeakPolarHBondContact O-CD1 3.49Å; A187-L318 PolarHBondContact O-N 3.17Å; V254-L318 HydrophobicContact CG1-CD1 3.47Å; V254-L318 VanDerWaalsContact CG1-CD1 3.47Å; P255-L318 HydrophobicContact CG-CD1 4.39Å; V256-L318 HydrophobicContact CG2-CD1 3.95Å
319V97.8Very high97.5Very high16 Ų1631.9 Ų31.910%0.09717%0.171CC..  trans-135.6148-175.7-64.50000113S261 V263 A296 L317 L323 L324S261-V319 PolarHBondContact O-N 3.25Å; V263-V319 HydrophobicContact CB-CG1 4.26Å; V263-V319 HydrophobicContact CG2-CG1 3.65Å; V263-V319 HydrophobicContact CG2-CG2 4.23Å; A296-V319 HydrophobicContact CB-CG2 4.08Å; L317-V319 HydrophobicContact CD2-CG1 4.08Å; L317-V319 HydrophobicContact CG-CG1 3.88Å; V319-L323 HydrophobicContact CB-CD2 4.41Å; V319-L323 HydrophobicContact CG1-CD2 3.88Å; V319-L323 HydrophobicContact CG1-CG 4.06Å; V319-L324 HydrophobicContact CB-CD2 4.14Å; V319-L324 HydrophobicContact CB-CG 4Å; V319-L324 HydrophobicContact CG1-CD2 4.39Å; V319-L324 HydrophobicContact CG2-CD1 4.18Å; V319-L324 HydrophobicContact CG2-CD2 3.77Å; V319-L324 HydrophobicContact CG2-CG 3.84Å
320D96.8Very high97.6Very high94 Ų9440.7 Ų40.750%0.50321%0.212SC..  trans-113.7176.7163.162.76.2000109.9P322 L323 L324D320-P322 WeakPolarHBondContact OD1-CD 3.44Å; D320-L323 PolarHBondContact O-N 3.17Å; D320-L323 WeakPolarHBondContact OD1-CB 3.47Å; D320-L323 PolarHBondContact OD1-N 3.43Å; D320-L324 WeakPolarHBondContact O-CB 3.43Å; D320-L324 WeakPolarHBondContact O-CG 3.44Å; D320-L324 PolarHBondContact O-N 3.35Å
321E96.4Very high97.7Very high117 Ų11741.2 Ų41.255%0.54721%0.214SC..Hα-helixtrans-60.1-43.1-179.8-68.8-64155.600113.4L323 L324 K325E321-L323 PolarHBondContact O-N 3.2Å; E321-L324 PolarHBondContact O-N 2.91Å; E321-K325 WeakPolarHBondContact O-CG 3.15Å; E321-K325 PolarHBondContact O-N 2.85Å; E321-K325 VanDerWaalsContact O-N 3.1Å
322P97.6Very high97.7Very high76 Ų7644.7 Ų44.749%0.49424%0.236SC..Hα-helixtrans-57.4-43.6173.2-27.434.9000114.3D320D320-P322 WeakPolarHBondContact OD1-CD 3.44Å
323L97.9Very high97.7Very high15 Ų1544.8 Ų44.88%0.07924%0.237CC..Hα-helixtrans-70.3-38.2178.6-176.653.4000111.5V163 V184 L317 V319 D320 E321 K325 L326 I327V163-L323 HydrophobicContact CG1-CD1 4.09Å; V163-L323 HydrophobicContact CG2-CD1 3.61Å; V184-L323 HydrophobicContact CG1-CD1 4.19Å; V184-L323 HydrophobicContact CG1-CD2 4.09Å; V184-L323 HydrophobicContact CG2-CD1 3.92Å; V184-L323 HydrophobicContact CG2-CD2 4.13Å; L317-L323 HydrophobicContact CD1-CD2 4.32Å; L317-L323 HydrophobicContact CD2-CD2 4.3Å; L317-L323 HydrophobicContact CG-CD2 4.42Å; V319-L323 HydrophobicContact CB-CD2 4.41Å; V319-L323 HydrophobicContact CG1-CD2 3.88Å; V319-L323 HydrophobicContact CG1-CG 4.06Å; D320-L323 PolarHBondContact O-N 3.17Å; D320-L323 WeakPolarHBondContact OD1-CB 3.47Å; D320-L323 PolarHBondContact OD1-N 3.43Å; E321-L323 PolarHBondContact O-N 3.2Å; L323-K325 VanDerWaalsContact C-N 3.31Å; L323-K325 PolarHBondContact O-N 2.93Å; L323-L326 HydrophobicContact CD1-CD1 4.29Å; L323-L326 WeakPolarHBondContact O-CB 3.41Å; L323-L326 PolarHBondContact O-N 2.89Å; L323-I327 PolarHBondContact O-N 3.3Å; L323-I327 VanDerWaalsContact O-N 3.11Å
324L97.1Very high97.6Very high5 Ų548.8 Ų48.83%0.02626%0.261CS..Hα-helixtrans-58.4-41.6174.9-79.7175.5000112.4V263 A296 R297 V319 D320 E321 L326 I327 D328V263-L324 HydrophobicContact CG2-CD2 3.83Å; A296-L324 HydrophobicContact CB-CD1 3.77Å; A296-L324 HydrophobicContact CB-CD2 3.75Å; A296-L324 HydrophobicContact CB-CG 4.37Å; R297-L324 HydrophobicContact CG-CD2 4.18Å; V319-L324 HydrophobicContact CB-CD2 4.14Å; V319-L324 HydrophobicContact CB-CG 4Å; V319-L324 HydrophobicContact CG1-CD2 4.39Å; V319-L324 HydrophobicContact CG2-CD1 4.18Å; V319-L324 HydrophobicContact CG2-CD2 3.77Å; V319-L324 HydrophobicContact CG2-CG 3.84Å; D320-L324 WeakPolarHBondContact O-CB 3.43Å; D320-L324 WeakPolarHBondContact O-CG 3.44Å; D320-L324 PolarHBondContact O-N 3.35Å; E321-L324 PolarHBondContact O-N 2.91Å; L324-L326 PolarHBondContact O-N 2.99Å; L324-I327 PolarHBondContact O-N 2.97Å; L324-I327 VanDerWaalsContact O-N 3.08Å; L324-D328 WeakPolarHBondContact O-CB 3.31Å; L324-D328 VanDerWaalsContact O-CG 3.29Å; L324-D328 PolarHBondContact O-N 2.91Å
325K97.2Very high97.5Very high150 Ų15049.7 Ų49.765%0.65227%0.269SS*.Hα-helixtrans-58.8-32.3175.2-71.5176.2-177.7-179.50113.2E321 L323 A329E321-K325 WeakPolarHBondContact O-CG 3.15Å; E321-K325 PolarHBondContact O-N 2.85Å; E321-K325 VanDerWaalsContact O-N 3.1Å; L323-K325 VanDerWaalsContact C-N 3.31Å; L323-K325 PolarHBondContact O-N 2.93Å; K325-A329 PolarHBondContact O-N 3.42Å; K325-A329 VanDerWaalsContact O-N 3.11Å
326L98Very high97.5Very high23 Ų2351.3 Ų51.312%0.1228%0.275CS..Hα-helixtrans-74.7-37.9175.8-60.2175.3000111.8K162 V163 A166 L167 L323 L324 D328 A329K162-L326 WeakPolarHBondContact CE-O 3.31Å; V163-L326 HydrophobicContact CG1-CD1 3.97Å; A166-L326 HydrophobicContact CB-CB 4.02Å; A166-L326 HydrophobicContact CB-CD2 3.82Å; A166-L326 WeakPolarHBondContact CB-O 3.42Å; L167-L326 HydrophobicContact CD1-CD1 4.42Å; L167-L326 HydrophobicContact CD2-CD1 3.87Å; L167-L326 HydrophobicContact CD2-CD2 3.89Å; L167-L326 HydrophobicContact CG-CD1 4.05Å; L167-L326 HydrophobicContact CG-CD2 4.24Å; L323-L326 HydrophobicContact CD1-CD1 4.29Å; L323-L326 WeakPolarHBondContact O-CB 3.41Å; L323-L326 PolarHBondContact O-N 2.89Å; L324-L326 PolarHBondContact O-N 2.99Å; L326-D328 VanDerWaalsContact C-N 3.33Å; L326-A329 WeakPolarHBondContact O-CB 3.32Å; L326-A329 PolarHBondContact O-N 2.86Å
327I97.8Very high97.3Very high5 Ų552.8 Ų52.83%0.02628%0.284CS..Hα-helixtrans-64.4-40.7174.4-64.1-62.3000110.8L159 K162 V163 V263 L317 L323 L324 A329 W336L159-I327 HydrophobicContact CD2-CD1 4.24Å; K162-I327 WeakPolarHBondContact CE-O 3.42Å; K162-I327 HydrophobicContact CG-CD1 4.24Å; V163-I327 HydrophobicContact CG2-CD1 3.71Å; V263-I327 HydrophobicContact CG2-CG1 4.49Å; V263-I327 HydrophobicContact CG2-CG2 4.44Å; L317-I327 HydrophobicContact CD2-CD1 4.34Å; L323-I327 PolarHBondContact O-N 3.3Å; L323-I327 VanDerWaalsContact O-N 3.11Å; L324-I327 PolarHBondContact O-N 2.97Å; L324-I327 VanDerWaalsContact O-N 3.08Å; I327-A329 VanDerWaalsContact C-N 3.34Å; I327-W336 HydrophobicContact CG2-CZ2 4.29Å
328D97.3Very high96.7Very high57 Ų5761 Ų6131%0.30533%0.329SS..SBendtrans-81.6-9.4-178.7-64.8-29000114R297 L324 L326 A341R297-D328 IonicContact CZ-OD1 2.84Å; R297-D328 IonicContact CZ-OD2 3.77Å; R297-D328 IonicContact NE-OD1 3.59Å; R297-D328 PolarHBondContact NE-OD1 2.86Å; R297-D328 IonicContact NE-OD2 3.83Å; R297-D328 IonicContact NH2-OD1 3.9Å; R297-D328 PolarHBondContact NH2-OD1 3.22Å; R297-D328 IonicContact NH2-OD2 2.87Å; R297-D328 PolarHBondContact NH2-OD2 3.01Å; L324-D328 WeakPolarHBondContact O-CB 3.31Å; L324-D328 VanDerWaalsContact O-CG 3.29Å; L324-D328 PolarHBondContact O-N 2.91Å; L326-D328 VanDerWaalsContact C-N 3.33Å; D328-A341 HydrophobicContact CB-CB 4.34Å
329A97.3Very high96.1Very high34 Ų3461.5 Ų61.528%0.28133%0.333SS..SBendtrans-55.6150.3178.200000110.4K162 A166 K325 L326 I327K162-A329 WeakPolarHBondContact CE-O 3.48Å; K162-A329 PolarHBondContact NZ-O 3.09Å; A166-A329 HydrophobicContact CB-CB 3.8Å; K325-A329 PolarHBondContact O-N 3.42Å; K325-A329 VanDerWaalsContact O-N 3.11Å; L326-A329 WeakPolarHBondContact O-CB 3.32Å; L326-A329 PolarHBondContact O-N 2.86Å; I327-A329 VanDerWaalsContact C-N 3.34Å
330E96.8Very high95.4Very high185 Ų18564 Ų6486%0.86436%0.355SS*.  trans-66154.6178.7-65.3-177.9162.400111.9K162K162-E330 PolarHBondContact NZ-O 3.08Å
331T97.6Very high95.2Very high35 Ų3562.4 Ų62.422%0.21536%0.355CS..  trans-150150.7171.4175.90000111K69 M71 A333 W336K69-T331 CarbonylContact O-C 3.56Å; K69-T331 WeakPolarHBondContact O-CA 3.46Å; K69-T331 WeakPolarHBondContact O-CB 3.43Å; K69-T331 PolarHBondContact O-OG1 2.8Å; M71-T331 HydrophobicContact CG-CG2 4.34Å; M71-T331 WeakPolarHBondContact CG-OG1 3.39Å; M71-T331 HydrophobicContact SD-CG2 4.1Å; T331-A333 VanDerWaalsContact OG1-CB 3.32Å; T331-A333 WeakPolarHBondContact OG1-CB 3.42Å; T331-A333 PolarHBondContact OG1-N 3.42Å; T331-W336 HydrophobicContact CG2-CB 3.67Å; T331-W336 HydrophobicContact CG2-CD2 4.48Å; T331-W336 HydrophobicContact CG2-CG 3.54Å
332T97.1Very high94.9Very high76 Ų7660 Ų6047%0.46635%0.348SS..  trans-97.74.3172.4680000112.9G68 K69 V334G68-T332 WeakPolarHBondContact CA-OG1 3.44Å; K69-T332 HydrophobicContact CB-CG2 4Å; K69-T332 PolarHBondContact N-OG1 3.2Å; K69-T332 PolarHBondContact O-N 3.1Å; T332-V334 PolarHBondContact O-N 2.98Å
333A97.6Very high94.8Very high6 Ų657.9 Ų57.95%0.0534%0.335CS..  trans-65.5122.3176.500000111.3M71 T331 A335 W336M71-A333 HydrophobicContact CB-CB 4.12Å; M71-A333 HydrophobicContact CG-CB 4.18Å; M71-A333 HydrophobicContact SD-CB 3.56Å; M71-A333 VanDerWaalsContact SD-CB 3.56Å; T331-A333 VanDerWaalsContact OG1-CB 3.32Å; T331-A333 WeakPolarHBondContact OG1-CB 3.42Å; T331-A333 PolarHBondContact OG1-N 3.42Å; A333-A335 VanDerWaalsContact C-N 3.29Å; A333-A335 PolarHBondContact O-N 3.05Å; A333-W336 HydrophobicContact CB-CB 4.33Å; A333-W336 PolarHBondContact O-N 3.21Å
334V96.3Very high94.6Very high87 Ų8759.1 Ų59.153%0.52734%0.342SS..THydrogen-bonded Turntrans-69.3-23.8-169.8-62.50000114.8N25 G65 T332N25-V334 WeakPolarHBondContact OD1-CG1 3.45Å; G65-V334 PolarHBondContact O-N 3.06Å; T332-V334 PolarHBondContact O-N 2.98Å
335A97.3Very high94.4Very high22 Ų2261 Ų6118%0.18235%0.354CS..THydrogen-bonded Turntrans-93-2.717800000113.8P61 G65 F66 A333P61-A335 HydrophobicContact CB-CB 3.42Å; P61-A335 VanDerWaalsContact CB-CB 3.42Å; P61-A335 HydrophobicContact CG-CB 3.78Å; G65-A335 VanDerWaalsContact O-CB 3.32Å; G65-A335 WeakPolarHBondContact O-CB 3.45Å; G65-A335 PolarHBondContact O-N 3.38Å; F66-A335 HydrophobicContact CD1-CB 4.05Å; F66-A335 HydrophobicContact CE1-CB 3.68Å; F66-A335 WeakPolarHBondContact CE1-O 3.18Å; F66-A335 HydrophobicContact CZ-CB 4.01Å; A333-A335 VanDerWaalsContact C-N 3.29Å; A333-A335 PolarHBondContact O-N 3.05Å
336W97.6Very high94Very high34 Ų3457.6 Ų57.613%0.12936%0.361CS..SBendtrans-77.3125.7173.3-171.7-101.9000109.6M71 V158 L159 K162 L299 I327 T331 A333M71-W336 HydrophobicContact CE-CD2 4.41Å; M71-W336 HydrophobicContact CE-CE3 3.66Å; M71-W336 HydrophobicContact CE-CZ3 4.15Å; M71-W336 HydrophobicContact SD-CB 3.83Å; M71-W336 HydrophobicContact SD-CD2 4.02Å; M71-W336 HydrophobicContact SD-CE3 3.87Å; M71-W336 HydrophobicContact SD-CG 4.03Å; V158-W336 HydrophobicContact CG1-CE3 4.37Å; V158-W336 HydrophobicContact CG1-CZ3 4.11Å; L159-W336 HydrophobicContact CD2-CH2 4.01Å; L159-W336 HydrophobicContact CD2-CZ3 4.48Å; K162-W336 HydrophobicContact CB-CE3 4.42Å; K162-W336 HydrophobicContact CB-CH2 3.71Å; K162-W336 HydrophobicContact CB-CZ2 4.23Å; K162-W336 HydrophobicContact CB-CZ3 3.81Å; K162-W336 HydrophobicContact CD-CD2 4.13Å; K162-W336 HydrophobicContact CD-CE3 4.44Å; K162-W336 HydrophobicContact CD-CH2 4.16Å; K162-W336 HydrophobicContact CD-CZ2 3.82Å; K162-W336 HydrophobicContact CD-CZ3 4.45Å; K162-W336 HydrophobicContact CG-CH2 3.62Å; K162-W336 HydrophobicContact CG-CZ2 3.63Å; K162-W336 HydrophobicContact CG-CZ3 4.14Å; L299-W336 HydrophobicContact CD1-CH2 4.36Å; L299-W336 HydrophobicContact CD2-CZ2 4.45Å; I327-W336 HydrophobicContact CG2-CZ2 4.29Å; T331-W336 HydrophobicContact CG2-CB 3.67Å; T331-W336 HydrophobicContact CG2-CD2 4.48Å; T331-W336 HydrophobicContact CG2-CG 3.54Å; A333-W336 HydrophobicContact CB-CB 4.33Å; A333-W336 PolarHBondContact O-N 3.21Å
337P94.1Very high93.5Very high31 Ų3162 Ų6220%0.20138%0.376CS..  trans-74.3142.6-171.432.7-36.1000110.7L299 F303 V339L299-P337 HydrophobicContact CD2-CG 3.33Å; F303-P337 HydrophobicContact CE1-CB 4.17Å; F303-P337 HydrophobicContact CE1-CG 3.62Å; F303-P337 HydrophobicContact CZ-CG 4.02Å; P337-V339 VanDerWaalsContact C-N 3.32Å; P337-V339 HydrophobicContact CB-CG1 4.11Å; P337-V339 HydrophobicContact CG-CG1 4.13Å; P337-V339 PolarHBondContact O-N 2.91Å
338N87.8Confident93Very high174 Ų17471.7 Ų71.793%0.9342%0.418SS*.  trans-77.384.8171.8-172.16.7000109.8
339V84.8Confident92.6Very high50 Ų5074.7 Ų74.730%0.30343%0.425SS..  trans-102.6140178.1-67.50000111.4L299 P337 A341L299-V339 HydrophobicContact CD2-CG1 3.97Å; L299-V339 HydrophobicContact CD2-CG2 3.76Å; P337-V339 VanDerWaalsContact C-N 3.32Å; P337-V339 HydrophobicContact CB-CG1 4.11Å; P337-V339 HydrophobicContact CG-CG1 4.13Å; P337-V339 PolarHBondContact O-N 2.91Å; V339-A341 PolarHBondContact O-N 3.38Å
340A84.3Confident92.2Very high68 Ų6880.4 Ų80.456%0.56245%0.45SS*.  trans-67.8133.417700000111.1V342A340-V342 HydrophobicContact CB-CG2 3.45Å; A340-V342 VanDerWaalsContact CB-CG2 3.45Å; A340-V342 PolarHBondContact O-N 3.24Å
341A90.6Very high91.9Very high60 Ų6083 Ų8350%0.49645%0.453SS..SBendtrans-75.657.2-179.200000113R297 D328 V339R297-A341 PolarHBondContact NH2-O 3.14Å; D328-A341 HydrophobicContact CB-CB 4.34Å; V339-A341 PolarHBondContact O-N 3.38Å
342V91.4Very high91.6Very high66 Ų6688 Ų8840%0.448%0.482SS..SBendtrans-141143.3-173.3-87.80000110.6R297 A340 R347R297-V342 VanDerWaalsContact NH1-C 3.27Å; A340-V342 HydrophobicContact CB-CG2 3.45Å; A340-V342 VanDerWaalsContact CB-CG2 3.45Å; A340-V342 PolarHBondContact O-N 3.24Å; V342-R347 VanDerWaalsContact CG2-CZ 3.41Å; V342-R347 PolarHBondContact O-NH2 3.42Å
343S94.3Very high91.1Very high32 Ų3288.2 Ų88.222%0.22449%0.492CS..  trans-62.7139.5-179.7-163.80000111.5I295 A296 R347I295-S343 PolarHBondContact O-OG 3.21Å; A296-S343 VanDerWaalsContact O-CA 3.32Å; A296-S343 WeakPolarHBondContact O-CA 3.32Å; S343-R347 VanDerWaalsContact O-CZ 3.25Å; S343-R347 PolarHBondContact O-NE 3.47Å; S343-R347 PolarHBondContact O-NH2 2.8Å
344I94.2Very high90.6Very high42 Ų4293.8 Ų93.822%0.21553%0.528CS..SBendtrans-78.3-39.8175.6-56.4-58000110.4V285 I295 A298V285-I344 HydrophobicContact CG1-CG2 4.24Å; V285-I344 HydrophobicContact CG2-CG2 4.28Å; I295-I344 HydrophobicContact CB-CB 4.06Å; I295-I344 HydrophobicContact CG2-CB 3.91Å; I295-I344 HydrophobicContact CG2-CG1 3.91Å; I295-I344 PolarHBondContact O-N 3.3Å; A298-I344 HydrophobicContact CB-CD1 4.18Å; A298-I344 HydrophobicContact CB-CG1 3.77Å
345T93.9Very high89.8Confident45 Ų4594.5 Ų94.528%0.27654%0.543SS..THydrogen-bonded Turntrans-66.8138.2177.5-56.30000111.8E289 I295E289-T345 HydrophobicContact CG-CG2 4.39Å; E289-T345 VanDerWaalsContact OE1-CA 3.24Å; E289-T345 WeakPolarHBondContact OE1-CA 3.38Å; E289-T345 PolarHBondContact OE1-OG1 2.98Å; I295-T345 PolarHBondContact N-OG1 3.48Å; I295-T345 PolarHBondContact O-N 2.63Å
346G87.5Confident88.7Confident78 Ų78100.9 Ų100.980%0.80457%0.569SS**THydrogen-bonded Turntrans85.23.3177.900000115.5
347R88.4Confident87.4Confident116 Ų116105.2 Ų105.244%0.43860%0.601SS.*  trans-84.2144.7175.5-64.4-157.8-161.2163.132.4112.9V342 S343 R349V342-R347 VanDerWaalsContact CG2-CZ 3.41Å; V342-R347 PolarHBondContact O-NH2 3.42Å; S343-R347 VanDerWaalsContact O-CZ 3.25Å; S343-R347 PolarHBondContact O-NE 3.47Å; S343-R347 PolarHBondContact O-NH2 2.8Å; R347-R349 PolarHBondContact O-N 2.85Å
348K86.5Confident85.5Confident208 Ų208112.9 Ų112.990%0.90463%0.634SS**  trans-71.9116.5165.5-67.6-175.8-179.7-179.30109.2
349R88.5Confident83.9Confident120 Ų120111.2 Ų111.245%0.45362%0.621SS.*  trans-92.9-20.7-179.9-63.2177-175.4137.913113.4E289 R347E289-R349 IonicContact OE1-CZ 2.67Å; E289-R349 IonicContact OE1-NH2 3.06Å; E289-R349 PolarHBondContact OE1-NH2 3.44Å; E289-R349 IonicContact OE2-CZ 2.72Å; E289-R349 VanDerWaalsContact OE2-CZ 3.3Å; E289-R349 IonicContact OE2-NH1 3.17Å; E289-R349 PolarHBondContact OE2-NH1 2.92Å; E289-R349 IonicContact OE2-NH2 2.68Å; E289-R349 PolarHBondContact OE2-NH2 2.9Å; R347-R349 PolarHBondContact O-N 2.85Å
350N90.9Very high82.3Confident153 Ų153113.1 Ų113.182%0.81864%0.642SS**  trans-116.4142.1-175.2-62.7-27.1000111.1
351R90.3Very high80.6Confident241 Ų241118.2 Ų118.291%0.90966%0.659SS**  trans-116.1132.6168.3-177.3176.3179.4171.70.2108
352V90.2Very high78.7Confident138 Ų138121.1 Ų121.184%0.83667%0.666SS**PPolyproline II helixtrans-68.8133.1177.8-175.50000109.2
353A86.2Confident76.5Confident82 Ų82123.7 Ų123.768%0.67869%0.687SS**PPolyproline II helixtrans-70.2147.8175.100000110.8
354P86.7Confident74.4Confident123 Ų123125.5 Ų125.580%0.79970%0.696SS**PPolyproline II helixtrans-57.3142.4169-20.632.8000110.8
355A80.4Confident72.4Confident101 Ų101127.2 Ų127.284%0.83572%0.717SS**PPolyproline II helixtrans-67.2133.5174.100000110
356E75Confident70.6Confident157 Ų157129.7 Ų129.773%0.73473%0.732SS**PPolyproline II helixtrans-73.4144.1171.8-70.4-175.5170.300110.4Q358E356-Q358 PolarHBondContact O-N 3.41Å
357P68.6Low69.3Low124 Ų124127.8 Ų127.881%0.80571%0.713SS**PPolyproline II helixtrans-58.9124.5172.2-17.629.4000109.7E359P357-E359 PolarHBondContact O-N 3.01Å; P357-E359 VanDerWaalsContact O-N 3.09Å
358Q54.3Low68.6Low193 Ų193124 Ų12490%0.90271%0.709SS**  trans-62.7114.1169.2-90.4177.9-36.400108.8E356 A360E356-Q358 PolarHBondContact O-N 3.41Å; Q358-A360 PolarHBondContact O-N 3.06Å
359E55.9Low68.3Low139 Ų139119.1 Ų119.165%0.6570%0.701SS**  trans-57.6128.7162.7-77.5-173155.100108.3P357 L361 K434P357-E359 PolarHBondContact O-N 3.01Å; P357-E359 VanDerWaalsContact O-N 3.09Å; E359-L361 PolarHBondContact O-N 3.31Å; E359-K434 IonicContact OE2-NZ 3.59Å; E359-K434 PolarHBondContact OE2-NZ 3.07Å
360A50.3Low68Low90 Ų90115.7 Ų115.774%0.74470%0.698SS**  trans-55127.5173.300000108.9Q358 D362Q358-A360 PolarHBondContact O-N 3.06Å; A360-D362 PolarHBondContact O-N 3.11Å
361L49.6Very low67.8Low174 Ų174108.4 Ų108.491%0.91166%0.66SS**  trans-6299.2172.3-78.6154.8000108.1E359 S363E359-L361 PolarHBondContact O-N 3.31Å; L361-S363 PolarHBondContact O-N 2.91Å
362D49.8Very low67.8Low122 Ų122103.9 Ų103.965%0.65265%0.647SS**  trans-60.1111.4166.3-93.1-14.6000107.7A360 T364A360-D362 PolarHBondContact O-N 3.11Å; D362-T364 PolarHBondContact O-N 3.39Å
363S46Very low67.8Low120 Ų120103.4 Ų103.484%0.83963%0.63SS**  trans-74.133.8-173.556.90000113.6L361 A365L361-S363 PolarHBondContact O-N 2.91Å; S363-A365 PolarHBondContact O-N 2.95Å
364T50.1Low68.1Low69 Ų69101 Ų10142%0.42361%0.605SS.*  trans-83103-178.448.80000111.5D362 V366 Q430D362-T364 PolarHBondContact O-N 3.39Å; T364-V366 PolarHBondContact O-N 3.25Å; T364-V366 VanDerWaalsContact O-N 3.15Å; T364-Q430 PolarHBondContact OG1-NE2 2.88Å; T364-Q430 PolarHBondContact OG1-OE1 2.99Å; T364-Q430 VanDerWaalsContact OG1-OE1 3.08Å
365A50.8Low68.4Low78 Ų7896 Ų9665%0.64557%0.574SS**  trans31.965.7157.600000116.3S363S363-A365 PolarHBondContact O-N 2.95Å
366V56.5Low69.1Low97 Ų9795.8 Ų95.859%0.58856%0.558SS**THydrogen-bonded Turntrans-70.9126.2169.6178.20000108.6T364 P423T364-V366 PolarHBondContact O-N 3.25Å; T364-V366 VanDerWaalsContact O-N 3.15Å; V366-P423 HydrophobicContact CG1-CG 3.52Å
367G59.8Low70.2Confident39 Ų3989.4 Ų89.440%0.40253%0.53SS..THydrogen-bonded Turntrans107.612.5168.700000119.1
368G75.2Confident71.6Confident35 Ų3584.2 Ų84.236%0.36150%0.496SS..  trans-72.9172.4172.900000114.9A370 S371 K372G368-A370 VanDerWaalsContact C-N 3.25Å; G368-A370 PolarHBondContact O-N 3.36Å; G368-S371 WeakPolarHBondContact O-CB 3.14Å; G368-S371 PolarHBondContact O-N 2.75Å; G368-S371 VanDerWaalsContact O-N 3.09Å; G368-K372 PolarHBondContact O-N 2.96Å; G368-K372 VanDerWaalsContact O-N 3.09Å
369S80.3Confident73.6Confident106 Ų10679.5 Ų79.574%0.74147%0.474SS*.Hα-helixtrans-57.9-35.6176.355.90000113.2K372 R373S369-K372 PolarHBondContact O-N 3.44Å; S369-R373 PolarHBondContact O-N 3.38Å
370A82.2Confident75.6Confident48 Ų4878 Ų7840%0.39746%0.462SS..Hα-helixtrans-62.3-44.2173.900000112.2G368 K372 R373 M374G368-A370 VanDerWaalsContact C-N 3.25Å; G368-A370 PolarHBondContact O-N 3.36Å; A370-K372 PolarHBondContact O-N 2.93Å; A370-R373 PolarHBondContact O-N 2.9Å; A370-M374 VanDerWaalsContact O-CG 3.26Å; A370-M374 WeakPolarHBondContact O-CG 3.44Å; A370-M374 PolarHBondContact O-N 3.46Å
371S86.1Confident77.9Confident0 Ų074.4 Ų74.40%043%0.43CS..Hα-helixtrans-62.5-42176.5172.50000111.5G368 R373 M374 A375 P424G368-S371 WeakPolarHBondContact O-CB 3.14Å; G368-S371 PolarHBondContact O-N 2.75Å; G368-S371 VanDerWaalsContact O-N 3.09Å; S371-R373 PolarHBondContact O-N 3.32Å; S371-M374 PolarHBondContact O-N 3.31Å; S371-A375 PolarHBondContact O-N 2.92Å; S371-P424 WeakPolarHBondContact CB-O 3.4Å; S371-P424 PolarHBondContact OG-O 2.96Å
372K89.4Confident80.2Confident147 Ų14766.1 Ų66.164%0.63939%0.387SS*.Hα-helixtrans-61.4-43.9173.8-67.1-177.8-179.2-1780112.4G368 S369 A370 A375 L376G368-K372 PolarHBondContact O-N 2.96Å; G368-K372 VanDerWaalsContact O-N 3.09Å; S369-K372 PolarHBondContact O-N 3.44Å; A370-K372 PolarHBondContact O-N 2.93Å; K372-A375 WeakPolarHBondContact O-CB 3.48Å; K372-A375 PolarHBondContact O-N 2.87Å; K372-L376 PolarHBondContact O-N 2.82Å; K372-L376 VanDerWaalsContact O-N 3.11Å
373R90.3Very high82.6Confident127 Ų12763 Ų6348%0.47938%0.375SS..Hα-helixtrans-66.6-38177.7-173.6167.5-109.1-177.8-7.3111.8S369 A370 S371 L376 V377 S575S369-R373 PolarHBondContact O-N 3.38Å; A370-R373 PolarHBondContact O-N 2.9Å; S371-R373 PolarHBondContact O-N 3.32Å; R373-L376 PolarHBondContact O-N 2.9Å; R373-V377 WeakPolarHBondContact O-CG2 3.22Å; R373-V377 PolarHBondContact O-N 2.89Å; R373-V377 VanDerWaalsContact O-N 3.09Å; R373-S575 PolarHBondContact NH2-OXT 2.93Å
374M92.3Very high85.1Confident32 Ų3258.8 Ų58.816%0.15834%0.344CS..Hα-helixtrans-62.3-41.3172.8-71.8167171.100112.1A370 S371 V377 L378 P424 A426 P428 L431A370-M374 VanDerWaalsContact O-CG 3.26Å; A370-M374 WeakPolarHBondContact O-CG 3.44Å; A370-M374 PolarHBondContact O-N 3.46Å; S371-M374 PolarHBondContact O-N 3.31Å; M374-V377 PolarHBondContact O-N 3.1Å; M374-L378 WeakPolarHBondContact O-CG 3.34Å; M374-L378 PolarHBondContact O-N 3.36Å; M374-P424 HydrophobicContact CB-CG 4.13Å; M374-A426 WeakPolarHBondContact CE-O 3.25Å; M374-P428 HydrophobicContact CE-CG 3.9Å; M374-L431 HydrophobicContact CB-CD2 4.04Å; M374-L431 HydrophobicContact CE-CD2 4.19Å; M374-L431 HydrophobicContact CG-CD2 3.8Å; M374-L431 HydrophobicContact SD-CD2 3.67Å
375A94.2Very high87.4Confident19 Ų1955.8 Ų55.816%0.15733%0.326CS..Hα-helixtrans-60-46.5175.100000111.7S371 K372 V377 L378 E379 L419 P424S371-A375 PolarHBondContact O-N 2.92Å; K372-A375 WeakPolarHBondContact O-CB 3.48Å; K372-A375 PolarHBondContact O-N 2.87Å; A375-V377 VanDerWaalsContact C-N 3.33Å; A375-V377 PolarHBondContact O-N 3.32Å; A375-L378 PolarHBondContact O-N 2.94Å; A375-E379 WeakPolarHBondContact O-CB 3.43Å; A375-E379 WeakPolarHBondContact O-CG 3.46Å; A375-E379 PolarHBondContact O-N 3.39Å; A375-L419 HydrophobicContact CB-CD2 4.41Å; A375-P424 HydrophobicContact CB-CG 4.08Å
376L95.5Very high89.6Confident95 Ų9554 Ų5450%0.49731%0.305SS..Hα-helixtrans-59.7-41.7176.8-70171.9000112.5K372 R373 E379 R380 V572K372-L376 PolarHBondContact O-N 2.82Å; K372-L376 VanDerWaalsContact O-N 3.11Å; R373-L376 PolarHBondContact O-N 2.9Å; L376-E379 PolarHBondContact O-N 3.39Å; L376-R380 WeakPolarHBondContact O-CB 3.43Å; L376-R380 PolarHBondContact O-N 2.89Å; L376-V572 HydrophobicContact CB-CG1 3.85Å
377V96.8Very high91.6Very high23 Ų2352.5 Ų52.514%0.13931%0.31CS..Hα-helixtrans-60.2-49.1175.4169.40000110.6R373 M374 A375 E379 R380 V381 I569 V572R373-V377 WeakPolarHBondContact O-CG2 3.22Å; R373-V377 PolarHBondContact O-N 2.89Å; R373-V377 VanDerWaalsContact O-N 3.09Å; M374-V377 PolarHBondContact O-N 3.1Å; A375-V377 VanDerWaalsContact C-N 3.33Å; A375-V377 PolarHBondContact O-N 3.32Å; V377-E379 PolarHBondContact O-N 2.86Å; V377-R380 PolarHBondContact O-N 3.39Å; V377-V381 HydrophobicContact CG1-CG2 4.49Å; V377-V381 WeakPolarHBondContact O-CG2 3.37Å; V377-V381 PolarHBondContact O-N 3.01Å; V377-I569 HydrophobicContact CG1-CB 4.32Å; V377-I569 HydrophobicContact CG1-CG1 3.71Å; V377-I569 HydrophobicContact CG1-CG2 4.38Å; V377-V572 HydrophobicContact CG2-CB 3.91Å; V377-V572 HydrophobicContact CG2-CG1 3.64Å
378L97.6Very high93.4Very high16 Ų1652.6 Ų52.68%0.08430%0.301CS..Hα-helixtrans-64.2-41.3179.9-70.2175.4000112.2M374 A375 R380 V381 C382 I415 W418 L419 L431 L435M374-L378 WeakPolarHBondContact O-CG 3.34Å; M374-L378 PolarHBondContact O-N 3.36Å; A375-L378 PolarHBondContact O-N 2.94Å; L378-R380 VanDerWaalsContact C-N 3.32Å; L378-R380 PolarHBondContact O-N 2.83Å; L378-V381 PolarHBondContact O-N 3.48Å; L378-C382 WeakPolarHBondContact O-CB 3.26Å; L378-C382 PolarHBondContact O-N 3.39Å; L378-C382 PolarHBondContact O-SG 2.92Å; L378-I415 HydrophobicContact CB-CG2 4.09Å; L378-I415 HydrophobicContact CD1-CG2 4.28Å; L378-I415 HydrophobicContact CD2-CG2 4.22Å; L378-I415 HydrophobicContact CG-CG2 4.44Å; L378-W418 HydrophobicContact CD1-CZ3 3.87Å; L378-L419 HydrophobicContact CB-CD1 3.74Å; L378-L419 HydrophobicContact CD1-CD1 4.33Å; L378-L419 HydrophobicContact CD1-CD2 3.96Å; L378-L419 HydrophobicContact CD1-CG 4.47Å; L378-L431 HydrophobicContact CD1-CD1 4.13Å; L378-L435 HydrophobicContact CD2-CD1 3.99Å; L378-L435 HydrophobicContact CD2-CD2 4.13Å
379E97.6Very high94.5Very high94 Ų9453.3 Ų53.344%0.43930%0.295SS..Hα-helixtrans-60.6-41.7175.3-76.2179175.800112A375 L376 V377 S383 L419A375-E379 WeakPolarHBondContact O-CB 3.43Å; A375-E379 WeakPolarHBondContact O-CG 3.46Å; A375-E379 PolarHBondContact O-N 3.39Å; L376-E379 PolarHBondContact O-N 3.39Å; V377-E379 PolarHBondContact O-N 2.86Å; E379-S383 WeakPolarHBondContact O-CB 3.29Å; E379-S383 PolarHBondContact O-N 3.24Å; E379-S383 PolarHBondContact O-OG 3.35Å; E379-L419 HydrophobicContact CG-CD1 4.09Å
380R98.2Very high95.4Very high108 Ų10853.5 Ų53.541%0.40828%0.284SS..Hα-helixtrans-65.5-48.6176.6-174.861.8178161.82.7111.3L376 V377 L378 C382 S383 T384 A568 E571 V572L376-R380 WeakPolarHBondContact O-CB 3.43Å; L376-R380 PolarHBondContact O-N 2.89Å; V377-R380 PolarHBondContact O-N 3.39Å; L378-R380 VanDerWaalsContact C-N 3.32Å; L378-R380 PolarHBondContact O-N 2.83Å; R380-C382 VanDerWaalsContact C-N 3.33Å; R380-C382 PolarHBondContact O-N 3.08Å; R380-S383 PolarHBondContact O-N 3.23Å; R380-T384 PolarHBondContact O-N 3.47Å; R380-T384 PolarHBondContact O-OG1 3.26Å; R380-T384 VanDerWaalsContact O-OG1 3.09Å; R380-A568 HydrophobicContact CG-CB 3.9Å; R380-E571 IonicContact CZ-OE2 3.51Å; R380-E571 IonicContact NE-OE2 2.71Å; R380-E571 PolarHBondContact NE-OE2 2.94Å; R380-E571 IonicContact NH2-OE1 3.42Å; R380-E571 IonicContact NH2-OE2 3.48Å; R380-E571 PolarHBondContact NH2-OE2 3.12Å; R380-V572 HydrophobicContact CB-CG2 3.5Å; R380-V572 HydrophobicContact CG-CG2 3.78Å
381V98.4Very high96.1Very high13 Ų1355.9 Ų55.98%0.07929%0.286CS..Hα-helixtrans-56-48.4175.81690000110.9V377 L378 S383 T384 L385 I565 A568 I569V377-V381 HydrophobicContact CG1-CG2 4.49Å; V377-V381 WeakPolarHBondContact O-CG2 3.37Å; V377-V381 PolarHBondContact O-N 3.01Å; L378-V381 PolarHBondContact O-N 3.48Å; V381-S383 PolarHBondContact O-N 2.85Å; V381-T384 PolarHBondContact O-N 2.84Å; V381-L385 HydrophobicContact CG1-CD1 4.05Å; V381-L385 HydrophobicContact CG1-CG 4.45Å; V381-L385 WeakPolarHBondContact O-CG 3.43Å; V381-L385 PolarHBondContact O-N 3.39Å; V381-I565 HydrophobicContact CG1-CG1 4.08Å; V381-I565 HydrophobicContact CG1-CG2 4.19Å; V381-I565 HydrophobicContact CG2-CG2 4.26Å; V381-A568 HydrophobicContact CB-CB 4.46Å; V381-A568 HydrophobicContact CG2-CB 3.79Å; V381-I569 HydrophobicContact CG2-CG1 4.05Å
382C98.4Very high96.6Very high0 Ų055.9 Ų55.90%029%0.286CS..Hα-helixtrans-62.1-42.8-180-680000112.1L378 R380 L385 L386 A412 I415 R416L378-C382 WeakPolarHBondContact O-CB 3.26Å; L378-C382 PolarHBondContact O-N 3.39Å; L378-C382 PolarHBondContact O-SG 2.92Å; R380-C382 VanDerWaalsContact C-N 3.33Å; R380-C382 PolarHBondContact O-N 3.08Å; C382-L385 PolarHBondContact O-N 2.95Å; C382-L386 WeakPolarHBondContact O-CB 3.33Å; C382-L386 VanDerWaalsContact O-CG 3.23Å; C382-L386 WeakPolarHBondContact O-CG 3.41Å; C382-L386 PolarHBondContact O-N 3.46Å; C382-A412 HydrophobicContact CB-CB 3.96Å; C382-A412 PolarHBondContact SG-O 3.28Å; C382-A412 VanDerWaalsContact SG-O 3.39Å; C382-I415 VanDerWaalsContact SG-CG2 3.54Å; C382-R416 HydrophobicContact CB-CG 3.66Å
383S98.4Very high97Very high57 Ų5749.3 Ų49.340%0.39926%0.258SS..Hα-helixtrans-64.7-40.4178.4-57.90000111.7E379 R380 V381 G387E379-S383 WeakPolarHBondContact O-CB 3.29Å; E379-S383 PolarHBondContact O-N 3.24Å; E379-S383 PolarHBondContact O-OG 3.35Å; R380-S383 PolarHBondContact O-N 3.23Å; V381-S383 PolarHBondContact O-N 2.85Å; S383-G387 PolarHBondContact O-N 3.12Å
384T98.5Very high97.2Very high31 Ų3145.3 Ų45.319%0.1925%0.252CS..Hα-helixtrans-62.5-49.3175.4-62.20000111.6R380 V381 L386 G387 L388 A564R380-T384 PolarHBondContact O-N 3.47Å; R380-T384 PolarHBondContact O-OG1 3.26Å; R380-T384 VanDerWaalsContact O-OG1 3.09Å; V381-T384 PolarHBondContact O-N 2.84Å; T384-L386 PolarHBondContact O-N 3.07Å; T384-G387 PolarHBondContact O-N 2.95Å; T384-L388 HydrophobicContact CG2-CD1 3.94Å; T384-L388 WeakPolarHBondContact O-CG 3.33Å; T384-L388 PolarHBondContact O-N 2.99Å; T384-L388 VanDerWaalsContact O-N 3.09Å; T384-A564 HydrophobicContact CG2-CB 4.03Å
385L98.3Very high97.2Very high7 Ų744.4 Ų44.44%0.03725%0.248CC..Hα-helixtrans-63.5-40.7-179.6-68.9178.5000112.4V381 C382 G387 L388 E389 H408 A412 I565V381-L385 HydrophobicContact CG1-CD1 4.05Å; V381-L385 HydrophobicContact CG1-CG 4.45Å; V381-L385 WeakPolarHBondContact O-CG 3.43Å; V381-L385 PolarHBondContact O-N 3.39Å; C382-L385 PolarHBondContact O-N 2.95Å; L385-G387 VanDerWaalsContact C-N 3.31Å; L385-G387 PolarHBondContact O-N 3.2Å; L385-L388 PolarHBondContact O-N 3.2Å; L385-E389 PolarHBondContact O-N 3.13Å; L385-H408 HydrophobicContact CB-CB 4.45Å; L385-H408 HydrophobicContact CD1-CB 4.39Å; L385-H408 HydrophobicContact CD2-CB 4.14Å; L385-A412 HydrophobicContact CB-CB 4.11Å; L385-I565 HydrophobicContact CD1-CD1 4.32Å; L385-I565 HydrophobicContact CD1-CG1 4.23Å; L385-I565 HydrophobicContact CD2-CD1 4.33Å; L385-I565 HydrophobicContact CD2-CG1 4Å; L385-I565 HydrophobicContact CG-CG1 4.35Å
386L98.4Very high97.2Very high39 Ų3944.3 Ų44.320%0.20425%0.245CC..Hα-helixtrans-62.4-38.2174.4-73.2169000112.3C382 T384 L388 A412 R413C382-L386 WeakPolarHBondContact O-CB 3.33Å; C382-L386 VanDerWaalsContact O-CG 3.23Å; C382-L386 WeakPolarHBondContact O-CG 3.41Å; C382-L386 PolarHBondContact O-N 3.46Å; T384-L386 PolarHBondContact O-N 3.07Å; L386-L388 VanDerWaalsContact C-N 3.27Å; L386-L388 PolarHBondContact O-N 2.91Å; L386-A412 HydrophobicContact CD2-CB 4.35Å; L386-A412 HydrophobicContact CG-CB 3.95Å; L386-R413 HydrophobicContact CD2-CG 3.98Å
387G98.3Very high97.1Very high67 Ų6746.1 Ų46.169%0.69125%0.245SC*.Hα-helixtrans-70-22.6176.500000113.9S383 T384 L385S383-G387 PolarHBondContact O-N 3.12Å; T384-G387 PolarHBondContact O-N 2.95Å; L385-G387 VanDerWaalsContact C-N 3.31Å; L385-G387 PolarHBondContact O-N 3.2Å
388L97.9Very high96.4Very high41 Ų4147.6 Ų47.622%0.21526%0.259CS..THydrogen-bonded Turntrans-94-1.5-178.8-70.8175.4000114T384 L385 L386 E390 H391 L392 A564T384-L388 HydrophobicContact CG2-CD1 3.94Å; T384-L388 WeakPolarHBondContact O-CG 3.33Å; T384-L388 PolarHBondContact O-N 2.99Å; T384-L388 VanDerWaalsContact O-N 3.09Å; L385-L388 PolarHBondContact O-N 3.2Å; L386-L388 VanDerWaalsContact C-N 3.27Å; L386-L388 PolarHBondContact O-N 2.91Å; L388-E390 PolarHBondContact O-N 3.03Å; L388-H391 PolarHBondContact O-N 2.99Å; L388-H391 VanDerWaalsContact O-N 3.15Å; L388-L392 HydrophobicContact CB-CD1 3.93Å; L388-L392 HydrophobicContact CB-CG 4.06Å; L388-L392 WeakPolarHBondContact O-CG 3.4Å; L388-L392 PolarHBondContact O-N 2.84Å; L388-A564 HydrophobicContact CD1-CB 3.58Å
389E98.1Very high95.6Very high50 Ų5047.3 Ų47.323%0.23426%0.26CS..Hα-helixtrans-49.5-60.5-170.6-176.7165.7173.300113.4L385 H391 L392 N393 G405 T406 S409 R413L385-E389 PolarHBondContact O-N 3.13Å; E389-H391 VanDerWaalsContact C-N 3.32Å; E389-H391 PolarHBondContact O-N 2.64Å; E389-L392 PolarHBondContact O-N 3.21Å; E389-N393 PolarHBondContact O-N 3.23Å; E389-G405 WeakPolarHBondContact O-CA 3.14Å; E389-T406 PolarHBondContact OE1-OG1 3.39Å; E389-T406 VanDerWaalsContact OE1-OG1 3.11Å; E389-S409 WeakPolarHBondContact CB-OG 3.31Å; E389-S409 WeakPolarHBondContact CG-OG 3.44Å; E389-S409 WeakPolarHBondContact OE2-CB 3.35Å; E389-S409 PolarHBondContact OE2-OG 3.43Å; E389-R413 IonicContact OE2-NH2 3.2Å
390E97.8Very high95Very high109 Ų10944.2 Ų44.251%0.50925%0.253SS..Hα-helixtrans-70.8-30.5-176.5-175.651.8-14700112.4L388 N393 A394 R397L388-E390 PolarHBondContact O-N 3.03Å; E390-N393 PolarHBondContact O-N 3.24Å; E390-A394 VanDerWaalsContact O-CB 3.29Å; E390-A394 WeakPolarHBondContact O-CB 3.42Å; E390-A394 PolarHBondContact O-N 3.26Å; E390-R397 IonicContact OE1-CZ 2.86Å; E390-R397 VanDerWaalsContact OE1-CZ 3.27Å; E390-R397 IonicContact OE1-NH1 3.08Å; E390-R397 PolarHBondContact OE1-NH1 3.46Å; E390-R397 IonicContact OE1-NH2 2.69Å; E390-R397 PolarHBondContact OE1-NH2 2.86Å; E390-R397 IonicContact OE2-NH1 2.65Å
391H97.3Very high94.5Very high98 Ų9843 Ų4345%0.45425%0.254SS..Hα-helixtrans-64.2-46.9176.4178.859.9000111.3L388 E389 A394 L395L388-H391 PolarHBondContact O-N 2.99Å; L388-H391 VanDerWaalsContact O-N 3.15Å; E389-H391 VanDerWaalsContact C-N 3.32Å; E389-H391 PolarHBondContact O-N 2.64Å; H391-A394 WeakPolarHBondContact O-CB 3.45Å; H391-A394 PolarHBondContact O-N 3.43Å; H391-L395 WeakPolarHBondContact O-CG 3.27Å; H391-L395 PolarHBondContact O-N 3.47Å
392L97.3Very high94.3Very high0 Ų043 Ų430%026%0.256CS..Hα-helixtrans-66.7-39.1177-67.2175.5000111.7L388 E389 A394 L395 D396 G405 P557 V560 A561L388-L392 HydrophobicContact CB-CD1 3.93Å; L388-L392 HydrophobicContact CB-CG 4.06Å; L388-L392 WeakPolarHBondContact O-CG 3.4Å; L388-L392 PolarHBondContact O-N 2.84Å; E389-L392 PolarHBondContact O-N 3.21Å; L392-A394 VanDerWaalsContact C-N 3.3Å; L392-A394 PolarHBondContact O-N 3.46Å; L392-L395 HydrophobicContact CD2-CD1 4.42Å; L392-L395 PolarHBondContact O-N 3.12Å; L392-D396 VanDerWaalsContact O-CB 3.28Å; L392-D396 WeakPolarHBondContact O-CB 3.34Å; L392-D396 PolarHBondContact O-N 3.46Å; L392-G405 VanDerWaalsContact CB-CA 3.48Å; L392-P557 HydrophobicContact CD2-CB 4.26Å; L392-P557 WeakPolarHBondContact CD2-O 3.42Å; L392-V560 HydrophobicContact CD2-CB 4.08Å; L392-V560 HydrophobicContact CD2-CG1 3.88Å; L392-A561 HydrophobicContact CD1-CB 3.95Å; L392-A561 HydrophobicContact CD2-CB 4.31Å
393N96.6Very high94.1Very high9 Ų945.9 Ų45.95%0.04827%0.272CS..Hα-helixtrans-61.9-39.2172.8-73.4-11.1000111.5E389 E390 D396 R397 G402 D403 C404 G405 T406E389-N393 PolarHBondContact O-N 3.23Å; E390-N393 PolarHBondContact O-N 3.24Å; N393-D396 PolarHBondContact O-N 2.81Å; N393-R397 WeakPolarHBondContact O-CG 3.48Å; N393-R397 PolarHBondContact O-N 3.14Å; N393-G402 WeakPolarHBondContact CB-O 3.16Å; N393-G402 VanDerWaalsContact CG-O 3.28Å; N393-G402 PolarHBondContact OD1-O 3Å; N393-D403 VanDerWaalsContact OD1-C 3.23Å; N393-D403 WeakPolarHBondContact OD1-CA 3.19Å; N393-C404 PolarHBondContact OD1-N 2.96Å; N393-G405 VanDerWaalsContact OD1-CA 3.22Å; N393-G405 WeakPolarHBondContact OD1-CA 3.18Å; N393-G405 PolarHBondContact OD1-N 2.8Å; N393-T406 PolarHBondContact ND2-OG1 3.23Å; N393-T406 PolarHBondContact OD1-N 3.35Å
394A94.9Very high94Very high43 Ų4343.6 Ų43.636%0.35526%0.256SS..Hα-helixtrans-65.2-43.7177.400000112.7E390 H391 L392 D396 R397E390-A394 VanDerWaalsContact O-CB 3.29Å; E390-A394 WeakPolarHBondContact O-CB 3.42Å; E390-A394 PolarHBondContact O-N 3.26Å; H391-A394 WeakPolarHBondContact O-CB 3.45Å; H391-A394 PolarHBondContact O-N 3.43Å; L392-A394 VanDerWaalsContact C-N 3.3Å; L392-A394 PolarHBondContact O-N 3.46Å; A394-D396 VanDerWaalsContact C-N 3.32Å; A394-R397 VanDerWaalsContact CA-NH2 3.34Å; A394-R397 PolarHBondContact O-N 2.89Å
395L93.6Very high93.9Very high14 Ų1442.1 Ų42.17%0.07325%0.247CC..Hα-helixtrans-60.3-44172.7-69176.1000111H391 L392 A398 Q554 P557 V560H391-L395 WeakPolarHBondContact O-CG 3.27Å; H391-L395 PolarHBondContact O-N 3.47Å; L392-L395 HydrophobicContact CD2-CD1 4.42Å; L392-L395 PolarHBondContact O-N 3.12Å; L395-A398 WeakPolarHBondContact O-CB 3.26Å; L395-A398 PolarHBondContact O-N 2.77Å; L395-Q554 HydrophobicContact CD2-CB 3.81Å; L395-Q554 HydrophobicContact CD2-CG 4.4Å; L395-P557 HydrophobicContact CB-CB 3.97Å; L395-V560 HydrophobicContact CD1-CB 4.44Å; L395-V560 HydrophobicContact CD1-CG2 4.1Å
396D94.1Very high93.8Very high17 Ų1744.3 Ų44.39%0.09126%0.261CS..Hα-helixtrans-70-31.8-177.5-16837.9000113.1L392 N393 A394 A398 A399 G400 G402 D403 C404 P557L392-D396 VanDerWaalsContact O-CB 3.28Å; L392-D396 WeakPolarHBondContact O-CB 3.34Å; L392-D396 PolarHBondContact O-N 3.46Å; N393-D396 PolarHBondContact O-N 2.81Å; A394-D396 VanDerWaalsContact C-N 3.32Å; D396-A398 PolarHBondContact O-N 2.7Å; D396-A398 VanDerWaalsContact O-N 3.09Å; D396-A399 PolarHBondContact O-N 2.91Å; D396-G400 CarbonylContact O-C 3.44Å; D396-G400 VanDerWaalsContact O-CA 3.26Å; D396-G400 WeakPolarHBondContact O-CA 3.27Å; D396-G400 PolarHBondContact O-N 3.29Å; D396-G402 WeakPolarHBondContact OD2-CA 3.47Å; D396-G402 PolarHBondContact OD2-N 3.47Å; D396-D403 PolarHBondContact OD2-N 3.27Å; D396-C404 HydrophobicContact CB-CB 3.78Å; D396-C404 PolarHBondContact OD2-N 2.89Å; D396-P557 HydrophobicContact CB-CB 4.26Å; D396-P557 HydrophobicContact CB-CG 3.84Å
397R91.8Very high93.7Very high133 Ų13342.6 Ų42.650%0.50225%0.252SS..Hα-helixtrans-59.9-22.8174.5-78.9-174.9-62.5-101.78.1113.6E390 N393 A394E390-R397 IonicContact OE1-CZ 2.86Å; E390-R397 VanDerWaalsContact OE1-CZ 3.27Å; E390-R397 IonicContact OE1-NH1 3.08Å; E390-R397 PolarHBondContact OE1-NH1 3.46Å; E390-R397 IonicContact OE1-NH2 2.69Å; E390-R397 PolarHBondContact OE1-NH2 2.86Å; E390-R397 IonicContact OE2-NH1 2.65Å; N393-R397 WeakPolarHBondContact O-CG 3.48Å; N393-R397 PolarHBondContact O-N 3.14Å; A394-R397 VanDerWaalsContact CA-NH2 3.34Å; A394-R397 PolarHBondContact O-N 2.89Å
398A83.4Confident93.7Very high53 Ų5339.5 Ų39.544%0.43822%0.22SC..THydrogen-bonded Turntrans-74.8-28.7177.900000112.8L395 D396L395-A398 WeakPolarHBondContact O-CB 3.26Å; L395-A398 PolarHBondContact O-N 2.77Å; D396-A398 PolarHBondContact O-N 2.7Å; D396-A398 VanDerWaalsContact O-N 3.09Å
399A80Confident93.7Very high11 Ų1137.7 Ų37.79%0.09121%0.21CC..THydrogen-bonded Turntrans-134.5-5.8-168.100000115.4D396 R543 A544 I547 L552D396-A399 PolarHBondContact O-N 2.91Å; A399-R543 CarbonylContact O-C 3.59Å; A399-A544 HydrophobicContact CB-CB 4.07Å; A399-A544 PolarHBondContact O-N 3.42Å; A399-I547 HydrophobicContact CB-CD1 4.36Å; A399-I547 VanDerWaalsContact O-CD1 3.24Å; A399-I547 WeakPolarHBondContact O-CD1 3.37Å; A399-L552 HydrophobicContact CB-CD2 3.43Å; A399-L552 VanDerWaalsContact CB-CD2 3.43Å
400G85.9Confident93.7Very high28 Ų2840.2 Ų40.229%0.28922%0.218SC..SBendtrans-147.2-148.8-170.400000112D396D396-G400 CarbonylContact O-C 3.44Å; D396-G400 VanDerWaalsContact O-CA 3.26Å; D396-G400 WeakPolarHBondContact O-CA 3.27Å; D396-G400 PolarHBondContact O-N 3.29Å
401D88.1Confident93.7Very high83 Ų8335.2 Ų35.244%0.44420%0.195SC..  trans-99-1.1-177.641.4-10.1000114.1R543D401-R543 VanDerWaalsContact CG-NE 3.26Å; D401-R543 WeakPolarHBondContact OD1-CD 3.47Å; D401-R543 IonicContact OD1-CZ 3.68Å; D401-R543 IonicContact OD1-NE 3.98Å; D401-R543 PolarHBondContact OD1-NE 3.27Å; D401-R543 IonicContact OD2-CZ 2.68Å; D401-R543 IonicContact OD2-NE 2.63Å; D401-R543 PolarHBondContact OD2-NE 3.14Å; D401-R543 VanDerWaalsContact OD2-NE 3.1Å; D401-R543 IonicContact OD2-NH2 3.16Å; D401-R543 PolarHBondContact OD2-NH2 3.21Å
402G92.9Very high93.7Very high12 Ų1230.6 Ų30.612%0.12417%0.173CC..SBendtrans79.825.6171.300000114N393 D396N393-G402 WeakPolarHBondContact CB-O 3.16Å; N393-G402 VanDerWaalsContact CG-O 3.28Å; N393-G402 PolarHBondContact OD1-O 3Å; D396-G402 WeakPolarHBondContact OD2-CA 3.47Å; D396-G402 PolarHBondContact OD2-N 3.47Å
403D94.9Very high93.7Very high62 Ų6237.9 Ų37.933%0.33220%0.201SC..  trans-121.6-0-173.288.1-7.9000114.3N393 D396 G405 T406 T407N393-D403 VanDerWaalsContact OD1-C 3.23Å; N393-D403 WeakPolarHBondContact OD1-CA 3.19Å; D396-D403 PolarHBondContact OD2-N 3.27Å; D403-G405 VanDerWaalsContact C-N 3.29Å; D403-G405 PolarHBondContact O-N 3.25Å; D403-T406 PolarHBondContact O-N 3.11Å; D403-T406 VanDerWaalsContact O-N 3.13Å; D403-T407 WeakPolarHBondContact O-CB 3.3Å; D403-T407 PolarHBondContact O-N 3.25Å; D403-T407 PolarHBondContact O-OG1 2.75Å
404C95.4Very high93.8Very high9 Ų938.1 Ų38.16%0.06120%0.204CC..Hα-helixtrans-54.5-43.3-176.8-178.90000113N393 D396 T407 H408 P557N393-C404 PolarHBondContact OD1-N 2.96Å; D396-C404 HydrophobicContact CB-CB 3.78Å; D396-C404 PolarHBondContact OD2-N 2.89Å; C404-T407 WeakPolarHBondContact O-CB 3.41Å; C404-T407 PolarHBondContact O-N 3.3Å; C404-H408 PolarHBondContact O-N 2.96Å; C404-H408 VanDerWaalsContact O-N 3.07Å; C404-H408 PolarHBondContact O-ND1 3.28Å; C404-H408 VanDerWaalsContact SG-CE1 3.59Å; C404-P557 HydrophobicContact CB-CB 3.96Å; C404-P557 HydrophobicContact CB-CG 4.15Å
405G96.7Very high93.8Very high0 Ų036.7 Ų36.70%019%0.191CC..Hα-helixtrans-66.2-45.8177.100000112.6E389 L392 N393 D403 T407 H408 S409E389-G405 WeakPolarHBondContact O-CA 3.14Å; L392-G405 VanDerWaalsContact CB-CA 3.48Å; N393-G405 VanDerWaalsContact OD1-CA 3.22Å; N393-G405 WeakPolarHBondContact OD1-CA 3.18Å; N393-G405 PolarHBondContact OD1-N 2.8Å; D403-G405 VanDerWaalsContact C-N 3.29Å; D403-G405 PolarHBondContact O-N 3.25Å; G405-T407 PolarHBondContact O-N 2.9Å; G405-H408 PolarHBondContact O-N 2.94Å; G405-H408 VanDerWaalsContact O-N 3.13Å; G405-S409 PolarHBondContact O-N 3.33Å; G405-S409 PolarHBondContact O-OG 3.44Å
406T97.1Very high94Very high52 Ų5241.6 Ų41.632%0.31921%0.208SC..Hα-helixtrans-61.1-34.5175.7-63.90000111.7E389 N393 D403 S409 R410E389-T406 PolarHBondContact OE1-OG1 3.39Å; E389-T406 VanDerWaalsContact OE1-OG1 3.11Å; N393-T406 PolarHBondContact ND2-OG1 3.23Å; N393-T406 PolarHBondContact OD1-N 3.35Å; D403-T406 PolarHBondContact O-N 3.11Å; D403-T406 VanDerWaalsContact O-N 3.13Å; T406-S409 PolarHBondContact O-N 2.84Å; T406-R410 WeakPolarHBondContact O-CG 3.4Å; T406-R410 PolarHBondContact O-N 2.89Å
407T96.6Very high94.1Very high4 Ų445.5 Ų45.53%0.02523%0.226CC..Hα-helixtrans-64.4-45.1172.7-610000112.3D403 C404 G405 R410 A411 M443D403-T407 WeakPolarHBondContact O-CB 3.3Å; D403-T407 PolarHBondContact O-N 3.25Å; D403-T407 PolarHBondContact O-OG1 2.75Å; C404-T407 WeakPolarHBondContact O-CB 3.41Å; C404-T407 PolarHBondContact O-N 3.3Å; G405-T407 PolarHBondContact O-N 2.9Å; T407-R410 PolarHBondContact O-N 3.05Å; T407-R410 PolarHBondContact OG1-NH2 3.49Å; T407-A411 PolarHBondContact O-N 2.82Å; T407-M443 HydrophobicContact CG2-CE 3.96Å; T407-M443 HydrophobicContact CG2-CG 3.79Å
408H98Very high94.2Very high2 Ų241.1 Ų41.11%0.00921%0.209CC..Hα-helixtrans-68.9-34.9174.9-72.784.7000113L385 C404 G405 R410 A411 A412 Y451 A561L385-H408 HydrophobicContact CB-CB 4.45Å; L385-H408 HydrophobicContact CD1-CB 4.39Å; L385-H408 HydrophobicContact CD2-CB 4.14Å; C404-H408 PolarHBondContact O-N 2.96Å; C404-H408 VanDerWaalsContact O-N 3.07Å; C404-H408 PolarHBondContact O-ND1 3.28Å; C404-H408 VanDerWaalsContact SG-CE1 3.59Å; G405-H408 PolarHBondContact O-N 2.94Å; G405-H408 VanDerWaalsContact O-N 3.13Å; H408-R410 VanDerWaalsContact C-N 3.33Å; H408-R410 PolarHBondContact O-N 3.48Å; H408-A411 WeakPolarHBondContact O-CB 3.35Å; H408-A411 PolarHBondContact O-N 2.9Å; H408-A412 PolarHBondContact O-N 3.15Å; H408-Y451 AromaticContact NE2-CE2 3.43Å; H408-Y451 WeakPolarHBondContact NE2-CE2 3.29Å; H408-Y451 AromaticContact NE2-CZ 3.88Å; H408-Y451 PolarHBondContact NE2-OH 3.33Å; H408-A561 WeakPolarHBondContact NE2-CB 3.46Å
409S97.7Very high94.7Very high2 Ų239.8 Ų39.81%0.01420%0.195CC..Hα-helixtrans-63.2-36.9173.6-81.90000112.7E389 G405 T406 A412 R413E389-S409 WeakPolarHBondContact CB-OG 3.31Å; E389-S409 WeakPolarHBondContact CG-OG 3.44Å; E389-S409 WeakPolarHBondContact OE2-CB 3.35Å; E389-S409 PolarHBondContact OE2-OG 3.43Å; G405-S409 PolarHBondContact O-N 3.33Å; G405-S409 PolarHBondContact O-OG 3.44Å; T406-S409 PolarHBondContact O-N 2.84Å; S409-A412 PolarHBondContact O-N 3.02Å; S409-R413 WeakPolarHBondContact O-CB 3.36Å; S409-R413 VanDerWaalsContact O-CG 3.27Å; S409-R413 WeakPolarHBondContact O-CG 3.35Å; S409-R413 PolarHBondContact O-N 2.83Å
410R97.4Very high95.3Very high104 Ų10446.3 Ų46.339%0.39222%0.221SC..Hα-helixtrans-60.4-46.9172.9-77.5-179.5-75.2175.9-4.4111.5T406 T407 H408 R413 A414T406-R410 WeakPolarHBondContact O-CG 3.4Å; T406-R410 PolarHBondContact O-N 2.89Å; T407-R410 PolarHBondContact O-N 3.05Å; T407-R410 PolarHBondContact OG1-NH2 3.49Å; H408-R410 VanDerWaalsContact C-N 3.33Å; H408-R410 PolarHBondContact O-N 3.48Å; R410-R413 PolarHBondContact O-N 3.02Å; R410-A414 WeakPolarHBondContact O-CB 3.3Å; R410-A414 PolarHBondContact O-N 3.12Å
411A97.3Very high95.4Very high4 Ų452.3 Ų52.33%0.03324%0.242CC..Hα-helixtrans-58.5-48.8174.400000112.2T407 H408 R413 A414 I415 L439 M443T407-A411 PolarHBondContact O-N 2.82Å; H408-A411 WeakPolarHBondContact O-CB 3.35Å; H408-A411 PolarHBondContact O-N 2.9Å; A411-R413 PolarHBondContact O-N 3Å; A411-A414 PolarHBondContact O-N 3.19Å; A411-I415 WeakPolarHBondContact O-CG1 3.4Å; A411-I415 PolarHBondContact O-N 3.09Å; A411-L439 HydrophobicContact CB-CD2 3.46Å; A411-L439 VanDerWaalsContact CB-CD2 3.46Å; A411-M443 HydrophobicContact CB-CB 4.16Å; A411-M443 HydrophobicContact CB-CE 4.23Å; A411-M443 HydrophobicContact CB-CG 3.86Å; A411-M443 HydrophobicContact CB-SD 3.75Å
412A98Very high95.3Very high0 Ų049.8 Ų49.80%024%0.235CC..Hα-helixtrans-60.6-42.4179.300000112.6C382 L385 L386 H408 S409 R416C382-A412 HydrophobicContact CB-CB 3.96Å; C382-A412 PolarHBondContact SG-O 3.28Å; C382-A412 VanDerWaalsContact SG-O 3.39Å; L385-A412 HydrophobicContact CB-CB 4.11Å; L386-A412 HydrophobicContact CD2-CB 4.35Å; L386-A412 HydrophobicContact CG-CB 3.95Å; H408-A412 PolarHBondContact O-N 3.15Å; S409-A412 PolarHBondContact O-N 3.02Å; A412-R416 WeakPolarHBondContact O-CG 3.38Å; A412-R416 PolarHBondContact O-N 3.33Å
413R98.1Very high95Very high153 Ų15352.4 Ų52.458%0.57725%0.25SC*.Hα-helixtrans-65.3-42.1176.2-69.2173.6-164-89.50.9111.5L386 E389 S409 R410 A411 R416 E417L386-R413 HydrophobicContact CD2-CG 3.98Å; E389-R413 IonicContact OE2-NH2 3.2Å; S409-R413 WeakPolarHBondContact O-CB 3.36Å; S409-R413 VanDerWaalsContact O-CG 3.27Å; S409-R413 WeakPolarHBondContact O-CG 3.35Å; S409-R413 PolarHBondContact O-N 2.83Å; R410-R413 PolarHBondContact O-N 3.02Å; A411-R413 PolarHBondContact O-N 3Å; R413-R416 PolarHBondContact O-N 2.88Å; R413-E417 PolarHBondContact O-N 2.9Å
414A97Very high94.8Very high15 Ų1549.5 Ų49.512%0.12423%0.234CC..Hα-helixtrans-61.9-45.4177.200000112.1R410 A411 E417 W418 L438 K442R410-A414 WeakPolarHBondContact O-CB 3.3Å; R410-A414 PolarHBondContact O-N 3.12Å; A411-A414 PolarHBondContact O-N 3.19Å; A414-E417 PolarHBondContact O-N 2.82Å; A414-W418 PolarHBondContact O-N 3.38Å; A414-L438 HydrophobicContact CB-CD1 4.16Å; A414-L438 HydrophobicContact CB-CD2 4.43Å; A414-L438 HydrophobicContact CB-CG 4.18Å; A414-K442 HydrophobicContact CB-CB 3.56Å; A414-K442 HydrophobicContact CB-CG 3.85Å
415I96.9Very high94.4Very high13 Ų1350.2 Ų50.27%0.06724%0.239CC..Hα-helixtrans-63.4-43.2176.9-66.3165.7000110.9L378 C382 A411 E417 W418 L419 L435 L438 L439L378-I415 HydrophobicContact CB-CG2 4.09Å; L378-I415 HydrophobicContact CD1-CG2 4.28Å; L378-I415 HydrophobicContact CD2-CG2 4.22Å; L378-I415 HydrophobicContact CG-CG2 4.44Å; C382-I415 VanDerWaalsContact SG-CG2 3.54Å; A411-I415 WeakPolarHBondContact O-CG1 3.4Å; A411-I415 PolarHBondContact O-N 3.09Å; I415-E417 VanDerWaalsContact C-N 3.3Å; I415-E417 PolarHBondContact O-N 2.95Å; I415-W418 PolarHBondContact O-N 2.97Å; I415-L419 HydrophobicContact CG2-CD1 4.24Å; I415-L419 HydrophobicContact CG2-CG 4.46Å; I415-L419 WeakPolarHBondContact O-CG 3.23Å; I415-L419 PolarHBondContact O-N 3.33Å; I415-L435 HydrophobicContact CD1-CD2 4.02Å; I415-L435 HydrophobicContact CG1-CD2 3.87Å; I415-L435 HydrophobicContact CG2-CD2 4.37Å; I415-L438 HydrophobicContact CB-CD2 4.39Å; I415-L438 HydrophobicContact CG1-CD2 3.84Å; I415-L439 HydrophobicContact CD1-CD2 4.21Å
416R97.1Very high93.9Very high117 Ų11751.6 Ų51.644%0.44225%0.25SS..Hα-helixtrans-63.1-35.9176.4-73.5-174.280.2177.46.2112.6C382 A412 R413 K420C382-R416 HydrophobicContact CB-CG 3.66Å; A412-R416 WeakPolarHBondContact O-CG 3.38Å; A412-R416 PolarHBondContact O-N 3.33Å; R413-R416 PolarHBondContact O-N 2.88Å; R416-K420 WeakPolarHBondContact O-CG 3.47Å; R416-K420 PolarHBondContact O-N 3.48Å
417E95.8Very high93.6Very high98 Ų9851.2 Ų51.246%0.45825%0.25SC..Hα-helixtrans-68.7-45.4176-162.959.3-149.400110.9R413 A414 I415 L419 K420 E421R413-E417 PolarHBondContact O-N 2.9Å; A414-E417 PolarHBondContact O-N 2.82Å; I415-E417 VanDerWaalsContact C-N 3.3Å; I415-E417 PolarHBondContact O-N 2.95Å; E417-L419 VanDerWaalsContact C-N 3.3Å; E417-L419 PolarHBondContact O-N 3.23Å; E417-K420 WeakPolarHBondContact O-CB 3.28Å; E417-K420 PolarHBondContact O-N 3.29Å; E417-K420 IonicContact OE1-NZ 2.77Å; E417-K420 IonicContact OE2-NZ 3.49Å; E417-K420 PolarHBondContact OE2-NZ 2.88Å; E417-E421 PolarHBondContact O-N 2.7Å
418W94.6Very high93.3Very high41 Ų4151.6 Ų51.616%0.15525%0.252CS..Hα-helixtrans-56.9-41.3174.8174.155.1000112.8L378 A414 I415 K420 E421 P424 L431 K434 L435 L438L378-W418 HydrophobicContact CD1-CZ3 3.87Å; A414-W418 PolarHBondContact O-N 3.38Å; I415-W418 PolarHBondContact O-N 2.97Å; W418-K420 PolarHBondContact O-N 3.06Å; W418-E421 WeakPolarHBondContact O-CB 3.35Å; W418-E421 PolarHBondContact O-N 2.87Å; W418-E421 VanDerWaalsContact O-N 3.09Å; W418-P424 HydrophobicContact CH2-CB 3.75Å; W418-P424 HydrophobicContact CZ2-CB 4.39Å; W418-P424 HydrophobicContact CZ3-CB 4.21Å; W418-L431 HydrophobicContact CH2-CD1 3.63Å; W418-L431 HydrophobicContact CZ3-CD1 4Å; W418-K434 HydrophobicContact CH2-CB 4.33Å; W418-K434 HydrophobicContact CZ2-CB 3.95Å; W418-L435 HydrophobicContact CE3-CD2 4.25Å; W418-L435 HydrophobicContact CZ3-CD2 3.83Å; W418-L435 HydrophobicContact CZ3-CG 4.24Å; W418-L438 HydrophobicContact CB-CD2 3.82Å; W418-L438 HydrophobicContact CD2-CD2 4.37Å; W418-L438 HydrophobicContact CE3-CD2 4.32Å; W418-L438 HydrophobicContact CG-CD2 4.18Å
419L93.2Very high93.1Very high26 Ų2651.8 Ų51.814%0.13625%0.254CS..Hα-helixtrans-65.4-21.1176.1-72175.6000114A375 L378 E379 I415 E417 P424A375-L419 HydrophobicContact CB-CD2 4.41Å; L378-L419 HydrophobicContact CB-CD1 3.74Å; L378-L419 HydrophobicContact CD1-CD1 4.33Å; L378-L419 HydrophobicContact CD1-CD2 3.96Å; L378-L419 HydrophobicContact CD1-CG 4.47Å; E379-L419 HydrophobicContact CG-CD1 4.09Å; I415-L419 HydrophobicContact CG2-CD1 4.24Å; I415-L419 HydrophobicContact CG2-CG 4.46Å; I415-L419 WeakPolarHBondContact O-CG 3.23Å; I415-L419 PolarHBondContact O-N 3.33Å; E417-L419 VanDerWaalsContact C-N 3.3Å; E417-L419 PolarHBondContact O-N 3.23Å; L419-P424 HydrophobicContact CD2-CB 4.16Å; L419-P424 HydrophobicContact CD2-CG 3.94Å
420K92.3Very high92.9Very high148 Ų14854 Ų5464%0.64326%0.264SS*.Hα-helixtrans-76.6-25.8173.3-65.9170.8-170.11680112.4R416 E417 W418 G422R416-K420 WeakPolarHBondContact O-CG 3.47Å; R416-K420 PolarHBondContact O-N 3.48Å; E417-K420 WeakPolarHBondContact O-CB 3.28Å; E417-K420 PolarHBondContact O-N 3.29Å; E417-K420 IonicContact OE1-NZ 2.77Å; E417-K420 IonicContact OE2-NZ 3.49Å; E417-K420 PolarHBondContact OE2-NZ 2.88Å; W418-K420 PolarHBondContact O-N 3.06Å; K420-G422 VanDerWaalsContact C-N 3.26Å; K420-G422 PolarHBondContact O-N 2.86Å
421E89.3Confident92.7Very high154 Ų15449.7 Ų49.772%0.7225%0.249SC*.Hα-helixtrans-70.5-27.3178.9-59.7178.8170.500111.7E417 W418E417-E421 PolarHBondContact O-N 2.7Å; W418-E421 WeakPolarHBondContact O-CB 3.35Å; W418-E421 PolarHBondContact O-N 2.87Å; W418-E421 VanDerWaalsContact O-N 3.09Å
422G85.9Confident92.7Very high29 Ų2950.4 Ų50.430%0.29925%0.252SS..SBendtrans168.2171175.100000112.4K420K420-G422 VanDerWaalsContact C-N 3.26Å; K420-G422 PolarHBondContact O-N 2.86Å
423P85.8Confident92.5Very high67 Ų6752.4 Ų52.444%0.43527%0.266SS..PPolyproline II helixtrans-68.7144.617927.2-29.4000110.5V366V366-P423 HydrophobicContact CG1-CG 3.52Å
424P89.8Confident92.3Very high2 Ų249.3 Ų49.31%0.01326%0.257CS..PPolyproline II helixtrans-68158.4-173.727.9-34.4000111.8S371 M374 A375 W418 L419 A426 L431S371-P424 WeakPolarHBondContact CB-O 3.4Å; S371-P424 PolarHBondContact OG-O 2.96Å; M374-P424 HydrophobicContact CB-CG 4.13Å; A375-P424 HydrophobicContact CB-CG 4.08Å; W418-P424 HydrophobicContact CH2-CB 3.75Å; W418-P424 HydrophobicContact CZ2-CB 4.39Å; W418-P424 HydrophobicContact CZ3-CB 4.21Å; L419-P424 HydrophobicContact CD2-CB 4.16Å; L419-P424 HydrophobicContact CD2-CG 3.94Å; P424-A426 PolarHBondContact O-N 3.45Å; P424-L431 HydrophobicContact CB-CD1 4Å
425P87.8Confident92.3Very high23 Ų2349.2 Ų49.215%0.14925%0.254CS..PPolyproline II helixtrans-54.4135.4175.3-2432.9000111.8S427 Q430 K434P425-S427 PolarHBondContact O-N 2.98Å; P425-Q430 HydrophobicContact CB-CB 3.72Å; P425-Q430 HydrophobicContact CG-CB 4.2Å; P425-K434 HydrophobicContact CG-CG 4.47Å
426A85.9Confident92.2Very high30 Ų3048.8 Ų48.825%0.24825%0.252CS..SBendtrans-73-19.4176.800000112.9M374 P424 P428M374-A426 WeakPolarHBondContact CE-O 3.25Å; P424-A426 PolarHBondContact O-N 3.45Å; A426-P428 WeakPolarHBondContact O-CD 3.17Å
427S90.3Very high92Very high43 Ų4346.3 Ų46.330%0.30125%0.25SS..SBendtrans-78.9121.3175.61730000110.3P425 A429 Q430 L431P425-S427 PolarHBondContact O-N 2.98Å; S427-A429 VanDerWaalsContact C-N 3.27Å; S427-A429 PolarHBondContact O-N 3.4Å; S427-Q430 PolarHBondContact O-N 2.99Å; S427-L431 WeakPolarHBondContact O-CB 3.44Å; S427-L431 PolarHBondContact O-N 3.25Å
428P92.2Very high92Very high13 Ų1342.9 Ų42.98%0.08423%0.234CC..Hα-helixtrans-54.9-39.7176.3-28.736.9000113.7M374 A426 Q430 L431 L432 L462 T466 W471M374-P428 HydrophobicContact CE-CG 3.9Å; A426-P428 WeakPolarHBondContact O-CD 3.17Å; P428-Q430 PolarHBondContact O-N 3.49Å; P428-L431 PolarHBondContact O-N 2.71Å; P428-L432 WeakPolarHBondContact O-CG 3.26Å; P428-L432 PolarHBondContact O-N 2.89Å; P428-L462 HydrophobicContact CB-CB 4.42Å; P428-L462 HydrophobicContact CB-CD1 3.86Å; P428-T466 HydrophobicContact CG-CG2 3.83Å; P428-W471 HydrophobicContact CB-CH2 4.01Å; P428-W471 HydrophobicContact CB-CZ2 3.58Å; P428-W471 HydrophobicContact CG-CZ2 3.9Å
429A93.6Very high92Very high5 Ų541.5 Ų41.54%0.04123%0.23CC..Hα-helixtrans-64-43.2179.300000112.4S427 S433 A459 L462 K463S427-A429 VanDerWaalsContact C-N 3.27Å; S427-A429 PolarHBondContact O-N 3.4Å; A429-S433 WeakPolarHBondContact O-CB 3.22Å; A429-S433 PolarHBondContact O-N 3.1Å; A429-S433 PolarHBondContact O-OG 2.94Å; A429-A459 WeakPolarHBondContact CB-O 3.42Å; A429-L462 HydrophobicContact CB-CB 4.01Å; A429-K463 HydrophobicContact CB-CG 3.87Å
430Q91.9Very high91.9Very high49 Ų4944.7 Ų44.723%0.22925%0.247CC..Hα-helixtrans-67.9-40.1176.2-71.8174-22.500111.1T364 P425 S427 P428 S433 K434T364-Q430 PolarHBondContact OG1-NE2 2.88Å; T364-Q430 PolarHBondContact OG1-OE1 2.99Å; T364-Q430 VanDerWaalsContact OG1-OE1 3.08Å; P425-Q430 HydrophobicContact CB-CB 3.72Å; P425-Q430 HydrophobicContact CG-CB 4.2Å; S427-Q430 PolarHBondContact O-N 2.99Å; P428-Q430 PolarHBondContact O-N 3.49Å; Q430-S433 PolarHBondContact O-N 2.98Å; Q430-K434 WeakPolarHBondContact O-CB 3.19Å; Q430-K434 WeakPolarHBondContact O-CG 3.47Å; Q430-K434 PolarHBondContact O-N 2.94Å
431L94.1Very high91.9Very high14 Ų1442.4 Ų42.47%0.07324%0.238CC..Hα-helixtrans-57.9-53.5175.6175.759.5000111.5M374 L378 W418 P424 S427 P428 S433 K434 L435M374-L431 HydrophobicContact CB-CD2 4.04Å; M374-L431 HydrophobicContact CE-CD2 4.19Å; M374-L431 HydrophobicContact CG-CD2 3.8Å; M374-L431 HydrophobicContact SD-CD2 3.67Å; L378-L431 HydrophobicContact CD1-CD1 4.13Å; W418-L431 HydrophobicContact CH2-CD1 3.63Å; W418-L431 HydrophobicContact CZ3-CD1 4Å; P424-L431 HydrophobicContact CB-CD1 4Å; S427-L431 WeakPolarHBondContact O-CB 3.44Å; S427-L431 PolarHBondContact O-N 3.25Å; P428-L431 PolarHBondContact O-N 2.71Å; L431-S433 VanDerWaalsContact C-N 3.3Å; L431-S433 PolarHBondContact O-N 3.4Å; L431-K434 PolarHBondContact O-N 3.31Å; L431-L435 HydrophobicContact CD1-CD1 3.87Å; L431-L435 HydrophobicContact CD1-CG 4.15Å; L431-L435 HydrophobicContact CG-CD1 3.96Å; L431-L435 WeakPolarHBondContact O-CB 3.05Å; L431-L435 WeakPolarHBondContact O-CG 3.28Å; L431-L435 PolarHBondContact O-N 3.24Å
432L96.8Very high92.1Very high18 Ų1840.3 Ų40.39%0.09423%0.227CC..Hα-helixtrans-62.9-37.3178.9-62.5-175.5000111.8P428 S436 L455 A458 A459 L462 W471P428-L432 WeakPolarHBondContact O-CG 3.26Å; P428-L432 PolarHBondContact O-N 2.89Å; L432-S436 WeakPolarHBondContact O-CB 3.39Å; L432-S436 PolarHBondContact O-N 3.04Å; L432-L455 HydrophobicContact CD2-CD2 3.68Å; L432-A458 HydrophobicContact CD1-CB 3.84Å; L432-A459 HydrophobicContact CB-CB 4Å; L432-L462 HydrophobicContact CD1-CD1 3.64Å; L432-W471 HydrophobicContact CD1-CZ3 4.44Å
433S94.7Very high92.5Very high42 Ų4239 Ų3929%0.29421%0.213SC..Hα-helixtrans-65.4-44.8177-57.50000112.2A429 Q430 L431 S436 V437 A459A429-S433 WeakPolarHBondContact O-CB 3.22Å; A429-S433 PolarHBondContact O-N 3.1Å; A429-S433 PolarHBondContact O-OG 2.94Å; Q430-S433 PolarHBondContact O-N 2.98Å; L431-S433 VanDerWaalsContact C-N 3.3Å; L431-S433 PolarHBondContact O-N 3.4Å; S433-S436 WeakPolarHBondContact O-CB 3.49Å; S433-S436 PolarHBondContact O-N 2.93Å; S433-V437 WeakPolarHBondContact O-CG2 3.22Å; S433-V437 PolarHBondContact O-N 3.15Å; S433-V437 VanDerWaalsContact O-N 3.16Å; S433-A459 WeakPolarHBondContact OG-CB 3.47Å
434K93.6Very high92.5Very high88 Ų8837.3 Ų37.338%0.38321%0.207SC..Hα-helixtrans-67.2-40.1177.1-72.4-63.4-174.5-170.20112E359 W418 P425 Q430 L431 S436 V437 L438E359-K434 IonicContact OE2-NZ 3.59Å; E359-K434 PolarHBondContact OE2-NZ 3.07Å; W418-K434 HydrophobicContact CH2-CB 4.33Å; W418-K434 HydrophobicContact CZ2-CB 3.95Å; P425-K434 HydrophobicContact CG-CG 4.47Å; Q430-K434 WeakPolarHBondContact O-CB 3.19Å; Q430-K434 WeakPolarHBondContact O-CG 3.47Å; Q430-K434 PolarHBondContact O-N 2.94Å; L431-K434 PolarHBondContact O-N 3.31Å; K434-S436 VanDerWaalsContact C-N 3.34Å; K434-S436 PolarHBondContact O-N 3.3Å; K434-V437 PolarHBondContact O-N 3.25Å; K434-L438 WeakPolarHBondContact O-CB 3.16Å; K434-L438 PolarHBondContact O-N 3.35Å
435L96.1Very high92.4Very high14 Ų1440.1 Ų40.17%0.07324%0.237CC..Hα-helixtrans-62.1-41.6173.2-73169000111.6L378 I415 W418 L431 L438 L439 L455L378-L435 HydrophobicContact CD2-CD1 3.99Å; L378-L435 HydrophobicContact CD2-CD2 4.13Å; I415-L435 HydrophobicContact CD1-CD2 4.02Å; I415-L435 HydrophobicContact CG1-CD2 3.87Å; I415-L435 HydrophobicContact CG2-CD2 4.37Å; W418-L435 HydrophobicContact CE3-CD2 4.25Å; W418-L435 HydrophobicContact CZ3-CD2 3.83Å; W418-L435 HydrophobicContact CZ3-CG 4.24Å; L431-L435 HydrophobicContact CD1-CD1 3.87Å; L431-L435 HydrophobicContact CD1-CG 4.15Å; L431-L435 HydrophobicContact CG-CD1 3.96Å; L431-L435 WeakPolarHBondContact O-CB 3.05Å; L431-L435 WeakPolarHBondContact O-CG 3.28Å; L431-L435 PolarHBondContact O-N 3.24Å; L435-L438 PolarHBondContact O-N 3.03Å; L435-L439 WeakPolarHBondContact O-CB 3.26Å; L435-L439 VanDerWaalsContact O-CG 3.29Å; L435-L439 WeakPolarHBondContact O-CG 3.4Å; L435-L439 PolarHBondContact O-N 3.22Å; L435-L455 HydrophobicContact CB-CD1 3.92Å
436S95.9Very high92.6Very high4 Ų443.2 Ų43.23%0.02826%0.259CS..Hα-helixtrans-55.2-54.2175.5170.20000111.8L432 S433 K434 L438 L439 L440 G452 T456L432-S436 WeakPolarHBondContact O-CB 3.39Å; L432-S436 PolarHBondContact O-N 3.04Å; S433-S436 WeakPolarHBondContact O-CB 3.49Å; S433-S436 PolarHBondContact O-N 2.93Å; K434-S436 VanDerWaalsContact C-N 3.34Å; K434-S436 PolarHBondContact O-N 3.3Å; S436-L438 VanDerWaalsContact C-N 3.32Å; S436-L438 PolarHBondContact O-N 3.05Å; S436-L439 PolarHBondContact O-N 2.71Å; S436-L440 WeakPolarHBondContact O-CB 3.22Å; S436-L440 VanDerWaalsContact O-CG 3.29Å; S436-L440 WeakPolarHBondContact O-CG 3.27Å; S436-L440 PolarHBondContact O-N 2.77Å; S436-G452 PolarHBondContact OG-O 3.49Å; S436-T456 WeakPolarHBondContact CB-OG1 3.41Å; S436-T456 PolarHBondContact OG-OG1 2.57Å
437V93.4Very high92.9Very high65 Ų6542.6 Ų42.639%0.39425%0.253SS..Hα-helixtrans-57.2-47.9179.2173.70000110.5S433 K434 L439 L440 E441S433-V437 WeakPolarHBondContact O-CG2 3.22Å; S433-V437 PolarHBondContact O-N 3.15Å; S433-V437 VanDerWaalsContact O-N 3.16Å; K434-V437 PolarHBondContact O-N 3.25Å; V437-L439 PolarHBondContact O-N 3.42Å; V437-L440 PolarHBondContact O-N 2.9Å; V437-E441 WeakPolarHBondContact CG1-OE1 3.28Å; V437-E441 WeakPolarHBondContact O-CG 3.39Å; V437-E441 PolarHBondContact O-N 3.49Å
438L94.2Very high93.1Very high25 Ų2540.7 Ų40.713%0.13124%0.24CC..Hα-helixtrans-59.9-43.2179.8-174.865.4000112.6A414 I415 W418 K434 L435 S436 E441 K442A414-L438 HydrophobicContact CB-CD1 4.16Å; A414-L438 HydrophobicContact CB-CD2 4.43Å; A414-L438 HydrophobicContact CB-CG 4.18Å; I415-L438 HydrophobicContact CB-CD2 4.39Å; I415-L438 HydrophobicContact CG1-CD2 3.84Å; W418-L438 HydrophobicContact CB-CD2 3.82Å; W418-L438 HydrophobicContact CD2-CD2 4.37Å; W418-L438 HydrophobicContact CE3-CD2 4.32Å; W418-L438 HydrophobicContact CG-CD2 4.18Å; K434-L438 WeakPolarHBondContact O-CB 3.16Å; K434-L438 PolarHBondContact O-N 3.35Å; L435-L438 PolarHBondContact O-N 3.03Å; S436-L438 VanDerWaalsContact C-N 3.32Å; S436-L438 PolarHBondContact O-N 3.05Å; L438-E441 PolarHBondContact O-N 3.1Å; L438-K442 HydrophobicContact CD1-CG 3.88Å; L438-K442 VanDerWaalsContact O-CB 3.32Å; L438-K442 WeakPolarHBondContact O-CB 3.4Å; L438-K442 WeakPolarHBondContact O-CG 3.49Å; L438-K442 PolarHBondContact O-N 3.37Å
439L94.8Very high93.3Very high13 Ų1342.2 Ų42.27%0.06825%0.253CS..Hα-helixtrans-70.3-39.7178.8-66.6-169.3000112A411 I415 L435 S436 V437 E441 K442 M443 Y451 L455A411-L439 HydrophobicContact CB-CD2 3.46Å; A411-L439 VanDerWaalsContact CB-CD2 3.46Å; I415-L439 HydrophobicContact CD1-CD2 4.21Å; L435-L439 WeakPolarHBondContact O-CB 3.26Å; L435-L439 VanDerWaalsContact O-CG 3.29Å; L435-L439 WeakPolarHBondContact O-CG 3.4Å; L435-L439 PolarHBondContact O-N 3.22Å; S436-L439 PolarHBondContact O-N 2.71Å; V437-L439 PolarHBondContact O-N 3.42Å; L439-E441 VanDerWaalsContact C-N 3.26Å; L439-E441 PolarHBondContact O-N 2.96Å; L439-K442 PolarHBondContact O-N 2.76Å; L439-M443 HydrophobicContact CB-CB 4.43Å; L439-M443 HydrophobicContact CD1-SD 4.49Å; L439-M443 HydrophobicContact CD2-CB 4.43Å; L439-M443 HydrophobicContact CD2-SD 4.33Å; L439-M443 WeakPolarHBondContact O-CB 3.36Å; L439-M443 PolarHBondContact O-N 3.49Å; L439-Y451 HydrophobicContact CD1-CG 4.49Å; L439-L455 HydrophobicContact CD1-CD1 3.68Å; L439-L455 HydrophobicContact CG-CD1 4.5Å
440L92Very high93.4Very high93 Ų9343.6 Ų43.649%0.48726%0.26SS..Hα-helixtrans-60.2-37.2175.1-73.3168.5000111.7S436 V437S436-L440 WeakPolarHBondContact O-CB 3.22Å; S436-L440 VanDerWaalsContact O-CG 3.29Å; S436-L440 WeakPolarHBondContact O-CG 3.27Å; S436-L440 PolarHBondContact O-N 2.77Å; V437-L440 PolarHBondContact O-N 2.9Å
441E91Very high93.6Very high99 Ų9942.3 Ų42.346%0.46325%0.253SS..Hα-helixtrans-79-40.2178.3-74.2178.6-15800114.1V437 L438 L439V437-E441 WeakPolarHBondContact CG1-OE1 3.28Å; V437-E441 WeakPolarHBondContact O-CG 3.39Å; V437-E441 PolarHBondContact O-N 3.49Å; L438-E441 PolarHBondContact O-N 3.1Å; L439-E441 VanDerWaalsContact C-N 3.26Å; L439-E441 PolarHBondContact O-N 2.96Å
442K94.3Very high93.7Very high111 Ų11141.6 Ų41.648%0.48325%0.25SC..Hα-helixtrans-111.9-24.9-163-52.8-59177.4-170.70115A414 L438 L439A414-K442 HydrophobicContact CB-CB 3.56Å; A414-K442 HydrophobicContact CB-CG 3.85Å; L438-K442 HydrophobicContact CD1-CG 3.88Å; L438-K442 VanDerWaalsContact O-CB 3.32Å; L438-K442 WeakPolarHBondContact O-CB 3.4Å; L438-K442 WeakPolarHBondContact O-CG 3.49Å; L438-K442 PolarHBondContact O-N 3.37Å; L439-K442 PolarHBondContact O-N 2.76Å
443M93.8Very high93.7Very high2 Ų243.4 Ų43.41%0.0126%0.259CS..THydrogen-bonded Turntrans-79.1-44.1-176.5-170.5170.3-173.600111.5T407 A411 L439 Y451T407-M443 HydrophobicContact CG2-CE 3.96Å; T407-M443 HydrophobicContact CG2-CG 3.79Å; A411-M443 HydrophobicContact CB-CB 4.16Å; A411-M443 HydrophobicContact CB-CE 4.23Å; A411-M443 HydrophobicContact CB-CG 3.86Å; A411-M443 HydrophobicContact CB-SD 3.75Å; L439-M443 HydrophobicContact CB-CB 4.43Å; L439-M443 HydrophobicContact CD1-SD 4.49Å; L439-M443 HydrophobicContact CD2-CB 4.43Å; L439-M443 HydrophobicContact CD2-SD 4.33Å; L439-M443 WeakPolarHBondContact O-CB 3.36Å; L439-M443 PolarHBondContact O-N 3.49Å; M443-Y451 HydrophobicContact CE-CD2 3.75Å; M443-Y451 HydrophobicContact CE-CE2 3.87Å; M443-Y451 HydrophobicContact SD-CD2 3.91Å
444G87.1Confident93.8Very high30 Ų3042.6 Ų42.631%0.30925%0.25SS..  trans68.1179.9-175.200000113.8G448G444-G448 WeakPolarHBondContact O-CA 3.49Å; G444-G448 PolarHBondContact O-N 3.14Å; G444-G448 VanDerWaalsContact O-N 3.1Å
445G87.9Confident94Very high61 Ų6139.5 Ų39.563%0.62924%0.238SC*.Hα-helixtrans65.5-174.8178.700000114.7S447 A449G445-S447 VanDerWaalsContact C-N 3.34Å; G445-A449 PolarHBondContact O-N 3.34Å
446S90.6Very high94.1Very high88 Ų8841.8 Ų41.862%0.61525%0.252SS*.Hα-helixtrans-65.7-36.9175.851.10000111.9G448 A449 L450S446-G448 PolarHBondContact O-N 2.8Å; S446-A449 PolarHBondContact O-N 2.91Å; S446-L450 WeakPolarHBondContact O-CB 3.25Å; S446-L450 VanDerWaalsContact O-CG 3.3Å; S446-L450 WeakPolarHBondContact O-CG 3.32Å; S446-L450 PolarHBondContact O-N 2.93Å
447S93.2Very high94.2Very high18 Ų1842.6 Ų42.613%0.12626%0.259CS..Hα-helixtrans-61-43.4177.9-57.40000112.5G445 A449 L450 Y451G445-S447 VanDerWaalsContact C-N 3.34Å; S447-A449 PolarHBondContact O-N 2.99Å; S447-L450 PolarHBondContact O-N 3.48Å; S447-Y451 VanDerWaalsContact O-CD2 3.24Å; S447-Y451 WeakPolarHBondContact O-CD2 3.36Å; S447-Y451 PolarHBondContact O-N 2.96Å
448G94.8Very high94.4Very high2 Ų239.6 Ų39.62%0.02124%0.242CC..Hα-helixtrans-60.8-42.9175.300000112.6G444 S446 G452G444-G448 WeakPolarHBondContact O-CA 3.49Å; G444-G448 PolarHBondContact O-N 3.14Å; G444-G448 VanDerWaalsContact O-N 3.1Å; S446-G448 PolarHBondContact O-N 2.8Å; G448-G452 PolarHBondContact O-N 3.04Å
449A94.7Very high94.5Very high45 Ų4538.4 Ų38.437%0.37224%0.235SC..Hα-helixtrans-64.5-43.7175.300000112.3G445 S446 S447 G452 L453G445-A449 PolarHBondContact O-N 3.34Å; S446-A449 PolarHBondContact O-N 2.91Å; S447-A449 PolarHBondContact O-N 2.99Å; A449-G452 PolarHBondContact O-N 3.26Å; A449-L453 WeakPolarHBondContact O-CB 3.31Å; A449-L453 VanDerWaalsContact O-CG 3.23Å; A449-L453 WeakPolarHBondContact O-CG 3.26Å; A449-L453 PolarHBondContact O-N 3.32Å
450L95.9Very high94.6Very high35 Ų3542.1 Ų42.118%0.18325%0.252CS..Hα-helixtrans-67.2-47.5-178.6-75.3171.5000112.5S446 S447 L453 F454 M482 M495S446-L450 WeakPolarHBondContact O-CB 3.25Å; S446-L450 VanDerWaalsContact O-CG 3.3Å; S446-L450 WeakPolarHBondContact O-CG 3.32Å; S446-L450 PolarHBondContact O-N 2.93Å; S447-L450 PolarHBondContact O-N 3.48Å; L450-L453 PolarHBondContact O-N 3.4Å; L450-F454 WeakPolarHBondContact O-CB 3.39Å; L450-F454 PolarHBondContact O-N 3.28Å; L450-M482 HydrophobicContact CB-CE 4.18Å; L450-M482 HydrophobicContact CD2-CB 4.42Å; L450-M482 HydrophobicContact CD2-CE 4.45Å; L450-M482 HydrophobicContact CD2-CG 4.36Å; L450-M495 HydrophobicContact CB-SD 4.22Å; L450-M495 HydrophobicContact CD1-SD 4.21Å
451Y97.3Very high94.8Very high21 Ų2139.5 Ų39.58%0.08224%0.241CC..Hα-helixtrans-65.8-39.2174.4-74.8-62.1000111.7H408 L439 M443 S447 L453 F454 L455 M495 I565H408-Y451 AromaticContact NE2-CE2 3.43Å; H408-Y451 WeakPolarHBondContact NE2-CE2 3.29Å; H408-Y451 AromaticContact NE2-CZ 3.88Å; H408-Y451 PolarHBondContact NE2-OH 3.33Å; L439-Y451 HydrophobicContact CD1-CG 4.49Å; M443-Y451 HydrophobicContact CE-CD2 3.75Å; M443-Y451 HydrophobicContact CE-CE2 3.87Å; M443-Y451 HydrophobicContact SD-CD2 3.91Å; S447-Y451 VanDerWaalsContact O-CD2 3.24Å; S447-Y451 WeakPolarHBondContact O-CD2 3.36Å; S447-Y451 PolarHBondContact O-N 2.96Å; Y451-L453 PolarHBondContact O-N 3.2Å; Y451-F454 PolarHBondContact O-N 3.19Å; Y451-L455 WeakPolarHBondContact O-CB 3.28Å; Y451-L455 WeakPolarHBondContact O-CG 3.47Å; Y451-L455 PolarHBondContact O-N 2.99Å; Y451-M495 HydrophobicContact CD2-CE 4.26Å; Y451-M495 HydrophobicContact CE1-SD 4.32Å; Y451-M495 HydrophobicContact CE2-CE 3.46Å; Y451-M495 VanDerWaalsContact CE2-CE 3.46Å; Y451-M495 HydrophobicContact CE2-SD 4.12Å; Y451-I565 HydrophobicContact CE1-CD1 4.34Å
452G96.3Very high95Very high0 Ų035 Ų350%022%0.22CC..Hα-helixtrans-58.1-46.7173.500000112.3S436 G448 A449 T456S436-G452 PolarHBondContact OG-O 3.49Å; G448-G452 PolarHBondContact O-N 3.04Å; A449-G452 PolarHBondContact O-N 3.26Å; G452-T456 VanDerWaalsContact O-CB 3.27Å; G452-T456 WeakPolarHBondContact O-CB 3.22Å; G452-T456 PolarHBondContact O-N 3.26Å; G452-T456 PolarHBondContact O-OG1 3.43Å
453L95.6Very high94.8Very high55 Ų5536 Ų3629%0.28822%0.224SC..Hα-helixtrans-61.2-48.2174.7-76.7168.2000112.1A449 L450 Y451 L455 T456 A457 Y485A449-L453 WeakPolarHBondContact O-CB 3.31Å; A449-L453 VanDerWaalsContact O-CG 3.23Å; A449-L453 WeakPolarHBondContact O-CG 3.26Å; A449-L453 PolarHBondContact O-N 3.32Å; L450-L453 PolarHBondContact O-N 3.4Å; Y451-L453 PolarHBondContact O-N 3.2Å; L453-L455 PolarHBondContact O-N 2.96Å; L453-T456 PolarHBondContact O-N 3.19Å; L453-A457 WeakPolarHBondContact O-CB 2.91Å; L453-A457 PolarHBondContact O-N 3.13Å; L453-Y485 HydrophobicContact CD1-CD2 3.97Å; L453-Y485 HydrophobicContact CD1-CG 4.17Å; L453-Y485 HydrophobicContact CD2-CD2 3.73Å; L453-Y485 HydrophobicContact CD2-CE2 4.09Å; L453-Y485 HydrophobicContact CD2-CG 4.48Å; L453-Y485 HydrophobicContact CG-CD2 4.44Å
454F98.1Very high94.5Very high26 Ų2641.8 Ų41.811%0.11426%0.26CS..Hα-helixtrans-55.6-53.5178.3-179.8-85.7000111L450 Y451 T456 A457 A458 M475 G478 L479 M482L450-F454 WeakPolarHBondContact O-CB 3.39Å; L450-F454 PolarHBondContact O-N 3.28Å; Y451-F454 PolarHBondContact O-N 3.19Å; F454-T456 PolarHBondContact O-N 3.39Å; F454-A457 PolarHBondContact O-N 3.05Å; F454-A458 HydrophobicContact CD1-CB 4.48Å; F454-A458 HydrophobicContact CE1-CB 4.23Å; F454-A458 WeakPolarHBondContact O-CB 3.3Å; F454-A458 PolarHBondContact O-N 3.03Å; F454-M475 HydrophobicContact CE2-CE 4.35Å; F454-M475 HydrophobicContact CE2-SD 4.07Å; F454-M475 HydrophobicContact CZ-CE 4.29Å; F454-M475 HydrophobicContact CZ-SD 3.57Å; F454-M475 VanDerWaalsContact CZ-SD 3.57Å; F454-G478 WeakPolarHBondContact CD2-O 3.39Å; F454-G478 WeakPolarHBondContact O-CA 3.29Å; F454-L479 HydrophobicContact CE2-CG 4.31Å; F454-M482 HydrophobicContact CB-CG 3.89Å; F454-M482 HydrophobicContact CB-SD 3.75Å; F454-M482 HydrophobicContact CD2-CG 4.25Å; F454-M482 HydrophobicContact CD2-SD 3.54Å; F454-M482 VanDerWaalsContact CD2-SD 3.54Å; F454-M482 HydrophobicContact CG-SD 4Å
455L98.1Very high94.7Very high22 Ų2247 Ų4712%0.11527%0.274CS..Hα-helixtrans-67-38.2-176.6-66.5170.6000112L432 L435 L439 Y451 L453 A459L432-L455 HydrophobicContact CD2-CD2 3.68Å; L435-L455 HydrophobicContact CB-CD1 3.92Å; L439-L455 HydrophobicContact CD1-CD1 3.68Å; L439-L455 HydrophobicContact CG-CD1 4.5Å; Y451-L455 WeakPolarHBondContact O-CB 3.28Å; Y451-L455 WeakPolarHBondContact O-CG 3.47Å; Y451-L455 PolarHBondContact O-N 2.99Å; L453-L455 PolarHBondContact O-N 2.96Å; L455-A459 WeakPolarHBondContact O-CB 3.22Å; L455-A459 PolarHBondContact O-N 2.98Å
456T97.1Very high94.8Very high62 Ų6248.2 Ų48.238%0.3827%0.269SS..Hα-helixtrans-61.5-44.3176.2-590000111.8S436 G452 L453 F454 Q460S436-T456 WeakPolarHBondContact CB-OG1 3.41Å; S436-T456 PolarHBondContact OG-OG1 2.57Å; G452-T456 VanDerWaalsContact O-CB 3.27Å; G452-T456 WeakPolarHBondContact O-CB 3.22Å; G452-T456 PolarHBondContact O-N 3.26Å; G452-T456 PolarHBondContact O-OG1 3.43Å; L453-T456 PolarHBondContact O-N 3.19Å; F454-T456 PolarHBondContact O-N 3.39Å; T456-Q460 PolarHBondContact O-NE2 2.82Å; T456-Q460 VanDerWaalsContact O-NE2 3.11Å
457A97.7Very high95Very high21 Ų2146.6 Ų46.617%0.17426%0.258CS..Hα-helixtrans-73.2-43.8179.100000111.4L453 F454 A459 Q460 P461 A477 A481L453-A457 WeakPolarHBondContact O-CB 2.91Å; L453-A457 PolarHBondContact O-N 3.13Å; F454-A457 PolarHBondContact O-N 3.05Å; A457-A459 PolarHBondContact O-N 3.09Å; A457-Q460 PolarHBondContact O-N 2.86Å; A457-P461 WeakPolarHBondContact O-CD 3.31Å; A457-A477 HydrophobicContact CB-CB 4.3Å; A457-A477 VanDerWaalsContact CB-O 3.29Å; A457-A477 WeakPolarHBondContact CB-O 3.49Å; A457-A481 HydrophobicContact CB-CB 3.61Å
458A97.9Very high95.1Very high3 Ų347.9 Ų47.93%0.02526%0.263CS..Hα-helixtrans-61.5-27.2176.900000113.2L432 F454 Q460 P461 A474L432-A458 HydrophobicContact CD1-CB 3.84Å; F454-A458 HydrophobicContact CD1-CB 4.48Å; F454-A458 HydrophobicContact CE1-CB 4.23Å; F454-A458 WeakPolarHBondContact O-CB 3.3Å; F454-A458 PolarHBondContact O-N 3.03Å; A458-Q460 VanDerWaalsContact C-N 3.29Å; A458-Q460 PolarHBondContact O-N 3.36Å; A458-P461 WeakPolarHBondContact O-CD 3.35Å; A458-A474 WeakPolarHBondContact CA-O 3.19Å; A458-A474 HydrophobicContact CB-CB 4.1Å; A458-A474 VanDerWaalsContact CB-O 3.26Å; A458-A474 WeakPolarHBondContact CB-O 3.4Å; A458-A474 VanDerWaalsContact O-CB 3.24Å; A458-A474 WeakPolarHBondContact O-CB 3.12Å
459A97.1Very high95.2Very high0 Ų050.5 Ų50.50%028%0.28CS..Hα-helixtrans-65.2-28.9174.300000113.3A429 L432 S433 L455 A457 L462 K463A429-A459 WeakPolarHBondContact CB-O 3.42Å; L432-A459 HydrophobicContact CB-CB 4Å; S433-A459 WeakPolarHBondContact OG-CB 3.47Å; L455-A459 WeakPolarHBondContact O-CB 3.22Å; L455-A459 PolarHBondContact O-N 2.98Å; A457-A459 PolarHBondContact O-N 3.09Å; A459-L462 PolarHBondContact O-N 3.46Å; A459-K463 PolarHBondContact O-N 3.42Å
460Q96.1Very high95.2Very high90 Ų9048.9 Ų48.942%0.42127%0.266SS..Hα-helixtrans-66.6-49.6-170.9-53.1-54.8-46.400113.4T456 A457 A458 L462 K463T456-Q460 PolarHBondContact O-NE2 2.82Å; T456-Q460 VanDerWaalsContact O-NE2 3.11Å; A457-Q460 PolarHBondContact O-N 2.86Å; A458-Q460 VanDerWaalsContact C-N 3.29Å; A458-Q460 PolarHBondContact O-N 3.36Å; Q460-L462 PolarHBondContact O-N 2.9Å; Q460-K463 PolarHBondContact O-N 3.5Å
461P96.1Very high95.3Very high39 Ų3951.6 Ų51.625%0.25327%0.274SS..Hα-helixtrans-61.4-28.3177.9-25.638.1000113.1A457 A458 K463 A473 A477A457-P461 WeakPolarHBondContact O-CD 3.31Å; A458-P461 WeakPolarHBondContact O-CD 3.35Å; P461-K463 VanDerWaalsContact C-N 3.35Å; P461-A473 HydrophobicContact CB-CB 4.08Å; P461-A473 HydrophobicContact CG-CB 4.36Å; P461-A477 HydrophobicContact CG-CB 4.18Å
462L95.4Very high95.3Very high3 Ų350.6 Ų50.62%0.01627%0.27CS..Hα-helixtrans-81.5-9.3-177.2-62.5175.6000114.2P428 A429 L432 A459 Q460 V464 K465 A470 W471 A474P428-L462 HydrophobicContact CB-CB 4.42Å; P428-L462 HydrophobicContact CB-CD1 3.86Å; A429-L462 HydrophobicContact CB-CB 4.01Å; L432-L462 HydrophobicContact CD1-CD1 3.64Å; A459-L462 PolarHBondContact O-N 3.46Å; Q460-L462 PolarHBondContact O-N 2.9Å; L462-V464 PolarHBondContact O-N 3.06Å; L462-K465 WeakPolarHBondContact CA-O 3.36Å; L462-A470 HydrophobicContact CD2-CB 4.05Å; L462-W471 HydrophobicContact CD1-CD2 4.11Å; L462-W471 HydrophobicContact CD1-CE3 3.95Å; L462-W471 HydrophobicContact CD1-CH2 3.96Å; L462-W471 HydrophobicContact CD1-CZ2 4.12Å; L462-W471 HydrophobicContact CD1-CZ3 3.87Å; L462-W471 HydrophobicContact CD2-CD2 4.07Å; L462-W471 HydrophobicContact CD2-CG 4.11Å; L462-A474 HydrophobicContact CD1-CB 4Å; L462-A474 HydrophobicContact CD2-CB 4.42Å; L462-A474 HydrophobicContact CG-CB 3.97Å
463K91Very high95.3Very high132 Ų13252.2 Ų52.257%0.57428%0.284SS*.THydrogen-bonded Turntrans-63.9-29.8175.7-74.5179175175.40112.4A429 A459 Q460 P461A429-K463 HydrophobicContact CB-CG 3.87Å; A459-K463 PolarHBondContact O-N 3.42Å; Q460-K463 PolarHBondContact O-N 3.5Å; P461-K463 VanDerWaalsContact C-N 3.35Å
464V87.5Confident95.4Very high125 Ų12549.7 Ų49.776%0.75827%0.271SS*.THydrogen-bonded Turntrans-102.5-41.7-173.7-1710000111.9L462L462-V464 PolarHBondContact O-N 3.06Å
465K89.9Confident95.4Very high139 Ų13949.2 Ų49.260%0.60427%0.269SS*.  trans-141.5147.5-175.8-63.8-177.1-177.6177.70111L462 A470L462-K465 WeakPolarHBondContact CA-O 3.36Å; K465-A470 HydrophobicContact CB-CB 4.1Å; K465-A470 VanDerWaalsContact O-CB 3.25Å; K465-A470 WeakPolarHBondContact O-CB 3.34Å
466T91.1Very high95.4Very high87 Ų8750 Ų5053%0.53427%0.273SS..  trans-115.720.4178.354.70000113P428P428-T466 HydrophobicContact CG-CG2 3.83Å
467S94.5Very high95.5Very high54 Ų5448.1 Ų48.138%0.37826%0.264SS..SBendtrans-72.8163.617962.50000112.4A470 W471S467-A470 WeakPolarHBondContact O-CA 3.34Å; S467-A470 WeakPolarHBondContact O-CB 3.47Å; S467-A470 PolarHBondContact O-N 3Å; S467-W471 PolarHBondContact O-N 2.96Å
468L95Very high95.5Very high44 Ų4447.1 Ų47.123%0.2326%0.256CS..Hα-helixtrans-51.3-45.6174.8-75.5-176.8000113.4A470 W471 S472 W509 A514 L516L468-A470 VanDerWaalsContact C-N 3.28Å; L468-A470 PolarHBondContact O-N 2.88Å; L468-W471 PolarHBondContact O-N 2.78Å; L468-S472 PolarHBondContact O-N 2.87Å; L468-W509 HydrophobicContact CB-CB 3.87Å; L468-W509 HydrophobicContact CB-CG 4Å; L468-W509 HydrophobicContact CD1-CG 4.42Å; L468-W509 HydrophobicContact CD2-CD2 3.84Å; L468-W509 HydrophobicContact CD2-CE3 4.42Å; L468-W509 HydrophobicContact CD2-CG 3.97Å; L468-W509 HydrophobicContact CD2-CZ2 4.28Å; L468-W509 HydrophobicContact CG-CG 4.36Å; L468-A514 WeakPolarHBondContact CD1-O 3.38Å; L468-L516 HydrophobicContact CD1-CB 4.4Å; L468-L516 HydrophobicContact CD2-CB 4.2Å; L468-L516 HydrophobicContact CD2-CD1 3.81Å; L468-L516 HydrophobicContact CD2-CG 4.06Å
469P96.4Very high95.5Very high58 Ų5847.4 Ų47.438%0.37726%0.257SS..Hα-helixtrans-59.4-33.6172.1-25.331.9000114.4S472 A473 W509P469-S472 PolarHBondContact O-N 3.1Å; P469-A473 PolarHBondContact O-N 2.84Å; P469-W509 WeakPolarHBondContact CD-O 3.38Å; P469-W509 WeakPolarHBondContact CG-O 3.46Å
470A96.3Very high95.5Very high11 Ų1153.8 Ų53.89%0.09129%0.287CS..Hα-helixtrans-71.7-35.1178.500000111.9L462 K465 S467 L468 A473 A474L462-A470 HydrophobicContact CD2-CB 4.05Å; K465-A470 HydrophobicContact CB-CB 4.1Å; K465-A470 VanDerWaalsContact O-CB 3.25Å; K465-A470 WeakPolarHBondContact O-CB 3.34Å; S467-A470 WeakPolarHBondContact O-CA 3.34Å; S467-A470 WeakPolarHBondContact O-CB 3.47Å; S467-A470 PolarHBondContact O-N 3Å; L468-A470 VanDerWaalsContact C-N 3.28Å; L468-A470 PolarHBondContact O-N 2.88Å; A470-A473 PolarHBondContact O-N 2.78Å; A470-A474 WeakPolarHBondContact O-CB 3.14Å; A470-A474 PolarHBondContact O-N 2.95Å
471W96.5Very high95.5Very high92 Ų9250.1 Ų50.135%0.34827%0.272SS..Hα-helixtrans-68.1-37.4171.7-82.9102.4000113P428 L432 L462 S467 L468 A474 M475 W509P428-W471 HydrophobicContact CB-CH2 4.01Å; P428-W471 HydrophobicContact CB-CZ2 3.58Å; P428-W471 HydrophobicContact CG-CZ2 3.9Å; L432-W471 HydrophobicContact CD1-CZ3 4.44Å; L462-W471 HydrophobicContact CD1-CD2 4.11Å; L462-W471 HydrophobicContact CD1-CE3 3.95Å; L462-W471 HydrophobicContact CD1-CH2 3.96Å; L462-W471 HydrophobicContact CD1-CZ2 4.12Å; L462-W471 HydrophobicContact CD1-CZ3 3.87Å; L462-W471 HydrophobicContact CD2-CD2 4.07Å; L462-W471 HydrophobicContact CD2-CG 4.11Å; S467-W471 PolarHBondContact O-N 2.96Å; L468-W471 PolarHBondContact O-N 2.78Å; W471-A474 WeakPolarHBondContact O-CB 3.45Å; W471-A474 PolarHBondContact O-N 3.16Å; W471-M475 PolarHBondContact O-N 2.72Å; W471-W509 HydrophobicContact CB-CE3 4.03Å; W471-W509 HydrophobicContact CB-CZ3 3.82Å
472S97.1Very high95.5Very high0 Ų048.5 Ų48.50%026%0.261CS..Hα-helixtrans-62.8-44.3170.6174.30000111.2L468 P469 A474 M475 D476 L506 Q507 K510L468-S472 PolarHBondContact O-N 2.87Å; P469-S472 PolarHBondContact O-N 3.1Å; S472-A474 VanDerWaalsContact C-N 3.3Å; S472-A474 PolarHBondContact O-N 2.88Å; S472-M475 WeakPolarHBondContact O-CB 3.35Å; S472-M475 PolarHBondContact O-N 2.83Å; S472-D476 PolarHBondContact O-N 3.47Å; S472-L506 WeakPolarHBondContact CB-O 3.38Å; S472-L506 PolarHBondContact OG-O 3.22Å; S472-Q507 PolarHBondContact OG-NE2 3.07Å; S472-K510 VanDerWaalsContact OG-CE 3.24Å; S472-K510 WeakPolarHBondContact OG-CE 3.2Å
473A97.4Very high95.5Very high34 Ų3451.5 Ų51.528%0.28128%0.275SS..Hα-helixtrans-64.2-32.6174.500000113.3P461 P469 A470 D476 A477P461-A473 HydrophobicContact CB-CB 4.08Å; P461-A473 HydrophobicContact CG-CB 4.36Å; P469-A473 PolarHBondContact O-N 2.84Å; A470-A473 PolarHBondContact O-N 2.78Å; A473-D476 PolarHBondContact O-N 2.73Å; A473-A477 WeakPolarHBondContact O-CB 3.36Å; A473-A477 PolarHBondContact O-N 3.05Å
474A97.9Very high95.7Very high2 Ų252.3 Ų52.32%0.01728%0.279CS..Hα-helixtrans-65.2-42173.700000111.8A458 L462 A470 W471 S472 A477 G478A458-A474 WeakPolarHBondContact CA-O 3.19Å; A458-A474 HydrophobicContact CB-CB 4.1Å; A458-A474 VanDerWaalsContact CB-O 3.26Å; A458-A474 WeakPolarHBondContact CB-O 3.4Å; A458-A474 VanDerWaalsContact O-CB 3.24Å; A458-A474 WeakPolarHBondContact O-CB 3.12Å; L462-A474 HydrophobicContact CD1-CB 4Å; L462-A474 HydrophobicContact CD2-CB 4.42Å; L462-A474 HydrophobicContact CG-CB 3.97Å; A470-A474 WeakPolarHBondContact O-CB 3.14Å; A470-A474 PolarHBondContact O-N 2.95Å; W471-A474 WeakPolarHBondContact O-CB 3.45Å; W471-A474 PolarHBondContact O-N 3.16Å; S472-A474 VanDerWaalsContact C-N 3.3Å; S472-A474 PolarHBondContact O-N 2.88Å; A474-A477 PolarHBondContact O-N 2.84Å; A474-G478 PolarHBondContact O-N 2.56Å
475M97.8Very high95.9Very high16 Ų1652.9 Ų52.98%0.07927%0.268CS..Hα-helixtrans-60.9-46.4173.3-168.373.5-174.900111.2F454 W471 S472 A477 G478 L479 L499 A502 L506F454-M475 HydrophobicContact CE2-CE 4.35Å; F454-M475 HydrophobicContact CE2-SD 4.07Å; F454-M475 HydrophobicContact CZ-CE 4.29Å; F454-M475 HydrophobicContact CZ-SD 3.57Å; F454-M475 VanDerWaalsContact CZ-SD 3.57Å; W471-M475 PolarHBondContact O-N 2.72Å; S472-M475 WeakPolarHBondContact O-CB 3.35Å; S472-M475 PolarHBondContact O-N 2.83Å; M475-A477 PolarHBondContact O-N 2.84Å; M475-G478 PolarHBondContact O-N 2.74Å; M475-L479 HydrophobicContact CE-CD1 4.26Å; M475-L479 HydrophobicContact CE-CD2 4.39Å; M475-L479 HydrophobicContact CE-CG 4.35Å; M475-L479 HydrophobicContact CG-CD1 4.1Å; M475-L479 WeakPolarHBondContact O-CB 3.39Å; M475-L479 VanDerWaalsContact O-CG 3.31Å; M475-L479 WeakPolarHBondContact O-CG 3.39Å; M475-L479 PolarHBondContact O-N 2.99Å; M475-L499 HydrophobicContact CE-CB 3.98Å; M475-L499 HydrophobicContact CE-CD2 4.15Å; M475-L499 WeakPolarHBondContact CE-O 3.36Å; M475-A502 HydrophobicContact CE-CB 4.38Å; M475-L506 HydrophobicContact CB-CD1 4.38Å; M475-L506 HydrophobicContact CG-CD1 4.09Å; M475-L506 HydrophobicContact SD-CD1 4.22Å
476D97.9Very high95.9Very high38 Ų3847.9 Ų47.920%0.20326%0.256CS..Hα-helixtrans-57.5-50.7177.4-65.9-20.8000110.9S472 A473 G478 L479 E480 Q507 K510S472-D476 PolarHBondContact O-N 3.47Å; A473-D476 PolarHBondContact O-N 2.73Å; D476-G478 VanDerWaalsContact C-N 3.33Å; D476-G478 PolarHBondContact O-N 2.94Å; D476-L479 PolarHBondContact O-N 3.28Å; D476-E480 WeakPolarHBondContact O-CB 3.46Å; D476-E480 WeakPolarHBondContact O-CG 3.47Å; D476-E480 PolarHBondContact O-N 3.17Å; D476-Q507 PolarHBondContact OD1-NE2 2.98Å; D476-Q507 PolarHBondContact OD2-NE2 3.47Å; D476-K510 IonicContact OD2-NZ 2.83Å; D476-K510 PolarHBondContact OD2-NZ 3.4Å
477A98Very high95.9Very high23 Ų2352.5 Ų52.519%0.1927%0.269CS..Hα-helixtrans-61-40.1179.600000112.7A457 P461 A473 A474 M475 A481A457-A477 HydrophobicContact CB-CB 4.3Å; A457-A477 VanDerWaalsContact CB-O 3.29Å; A457-A477 WeakPolarHBondContact CB-O 3.49Å; P461-A477 HydrophobicContact CG-CB 4.18Å; A473-A477 WeakPolarHBondContact O-CB 3.36Å; A473-A477 PolarHBondContact O-N 3.05Å; A474-A477 PolarHBondContact O-N 2.84Å; M475-A477 PolarHBondContact O-N 2.84Å; A477-A481 WeakPolarHBondContact O-CB 3.31Å; A477-A481 PolarHBondContact O-N 3.01Å
478G97.9Very high95.9Very high0 Ų050.7 Ų50.70%026%0.257CS..Hα-helixtrans-64.4-46.6175.800000112.6F454 A474 M475 D476 A481 M482F454-G478 WeakPolarHBondContact CD2-O 3.39Å; F454-G478 WeakPolarHBondContact O-CA 3.29Å; A474-G478 PolarHBondContact O-N 2.56Å; M475-G478 PolarHBondContact O-N 2.74Å; D476-G478 VanDerWaalsContact C-N 3.33Å; D476-G478 PolarHBondContact O-N 2.94Å; G478-A481 PolarHBondContact O-N 3.3Å; G478-M482 WeakPolarHBondContact O-CG 3.37Å; G478-M482 PolarHBondContact O-N 2.74Å
479L97.9Very high95.9Very high8 Ų850.6 Ų50.64%0.04226%0.262CS..Hα-helixtrans-62.7-43.8177.7-72.7172.3000111.9F454 M475 D476 M482 Q483 L496 L499 W500F454-L479 HydrophobicContact CE2-CG 4.31Å; M475-L479 HydrophobicContact CE-CD1 4.26Å; M475-L479 HydrophobicContact CE-CD2 4.39Å; M475-L479 HydrophobicContact CE-CG 4.35Å; M475-L479 HydrophobicContact CG-CD1 4.1Å; M475-L479 WeakPolarHBondContact O-CB 3.39Å; M475-L479 VanDerWaalsContact O-CG 3.31Å; M475-L479 WeakPolarHBondContact O-CG 3.39Å; M475-L479 PolarHBondContact O-N 2.99Å; D476-L479 PolarHBondContact O-N 3.28Å; L479-M482 PolarHBondContact O-N 3.46Å; L479-Q483 WeakPolarHBondContact O-CB 3.11Å; L479-Q483 VanDerWaalsContact O-CG 3.31Å; L479-Q483 WeakPolarHBondContact O-CG 3.21Å; L479-Q483 PolarHBondContact O-N 2.95Å; L479-Q483 PolarHBondContact O-NE2 3.48Å; L479-L496 HydrophobicContact CD2-CD1 3.59Å; L479-L499 HydrophobicContact CD2-CB 3.68Å; L479-W500 HydrophobicContact CD2-CB 4.4Å
480E97.7Very high95.8Very high134 Ų13450 Ų5063%0.62626%0.258SS*.Hα-helixtrans-61.5-42.9176.3-75.9178-17500111.6D476 Q483 K484D476-E480 WeakPolarHBondContact O-CB 3.46Å; D476-E480 WeakPolarHBondContact O-CG 3.47Å; D476-E480 PolarHBondContact O-N 3.17Å; E480-Q483 PolarHBondContact O-N 3.27Å; E480-K484 WeakPolarHBondContact O-CB 3.45Å; E480-K484 PolarHBondContact O-N 3.32Å
481A97.2Very high95.7Very high14 Ų1451 Ų5112%0.11627%0.27CS..Hα-helixtrans-64-44.5177.300000111.9A457 A477 G478 K484 Y485A457-A481 HydrophobicContact CB-CB 3.61Å; A477-A481 WeakPolarHBondContact O-CB 3.31Å; A477-A481 PolarHBondContact O-N 3.01Å; G478-A481 PolarHBondContact O-N 3.3Å; A481-K484 PolarHBondContact O-N 3.38Å; A481-Y485 VanDerWaalsContact O-CD2 3.22Å; A481-Y485 WeakPolarHBondContact O-CD2 3.33Å; A481-Y485 PolarHBondContact O-N 2.88Å
482M95.9Very high95.7Very high5 Ų548.4 Ų48.43%0.02526%0.263CS..Hα-helixtrans-60.8-46175.4-76.1-179.968.600112L450 F454 G478 L479 G486 M495 L499L450-M482 HydrophobicContact CB-CE 4.18Å; L450-M482 HydrophobicContact CD2-CB 4.42Å; L450-M482 HydrophobicContact CD2-CE 4.45Å; L450-M482 HydrophobicContact CD2-CG 4.36Å; F454-M482 HydrophobicContact CB-CG 3.89Å; F454-M482 HydrophobicContact CB-SD 3.75Å; F454-M482 HydrophobicContact CD2-CG 4.25Å; F454-M482 HydrophobicContact CD2-SD 3.54Å; F454-M482 VanDerWaalsContact CD2-SD 3.54Å; F454-M482 HydrophobicContact CG-SD 4Å; G478-M482 WeakPolarHBondContact O-CG 3.37Å; G478-M482 PolarHBondContact O-N 2.74Å; L479-M482 PolarHBondContact O-N 3.46Å; M482-G486 WeakPolarHBondContact O-CA 3.38Å; M482-G486 PolarHBondContact O-N 3.36Å; M482-M495 HydrophobicContact CE-CG 3.7Å; M482-M495 HydrophobicContact CE-SD 3.57Å; M482-M495 VanDerWaalsContact CE-SD 3.57Å; M482-L499 HydrophobicContact CE-CD1 3.8Å; M482-L499 HydrophobicContact SD-CD1 3.75Å
483Q95.6Very high95.6Very high66 Ų6648.8 Ų48.831%0.30827%0.265SS..Hα-helixtrans-63.9-46.1178.6-74.3174.660.600111.6L479 E480 Y485 K487 A488 L496L479-Q483 WeakPolarHBondContact O-CB 3.11Å; L479-Q483 VanDerWaalsContact O-CG 3.31Å; L479-Q483 WeakPolarHBondContact O-CG 3.21Å; L479-Q483 PolarHBondContact O-N 2.95Å; L479-Q483 PolarHBondContact O-NE2 3.48Å; E480-Q483 PolarHBondContact O-N 3.27Å; Q483-Y485 PolarHBondContact O-N 3.39Å; Q483-K487 VanDerWaalsContact O-CA 3.25Å; Q483-K487 WeakPolarHBondContact O-CA 3.23Å; Q483-K487 PolarHBondContact O-N 2.95Å; Q483-A488 WeakPolarHBondContact CG-O 3.38Å; Q483-L496 HydrophobicContact CG-CD1 4.01Å; Q483-L496 HydrophobicContact CG-CD2 3.49Å; Q483-L496 VanDerWaalsContact CG-CD2 3.49Å; Q483-L496 HydrophobicContact CG-CG 4.39Å
484K94.8Very high95.5Very high148 Ų14848.2 Ų48.264%0.64326%0.257SS*.Hα-helixtrans-58.9-45.2-178-178.7-180179.9-175.80112.7E480 A481E480-K484 WeakPolarHBondContact O-CB 3.45Å; E480-K484 PolarHBondContact O-N 3.32Å; A481-K484 PolarHBondContact O-N 3.38Å
485Y91Very high95.4Very high138 Ų13848.5 Ų48.554%0.54126%0.259SS..Hα-helixtrans-98.5-33.4-174-61.9-64.1000113.3L453 A481 Q483 K487L453-Y485 HydrophobicContact CD1-CD2 3.97Å; L453-Y485 HydrophobicContact CD1-CG 4.17Å; L453-Y485 HydrophobicContact CD2-CD2 3.73Å; L453-Y485 HydrophobicContact CD2-CE2 4.09Å; L453-Y485 HydrophobicContact CD2-CG 4.48Å; L453-Y485 HydrophobicContact CG-CD2 4.44Å; A481-Y485 VanDerWaalsContact O-CD2 3.22Å; A481-Y485 WeakPolarHBondContact O-CD2 3.33Å; A481-Y485 PolarHBondContact O-N 2.88Å; Q483-Y485 PolarHBondContact O-N 3.39Å; Y485-K487 VanDerWaalsContact C-N 3.33Å
486G90.4Very high95.4Very high34 Ų3447.9 Ų47.935%0.35126%0.256SS..Hα-helixtrans-77.7-17.5175.500000113.7M482 A488M482-G486 WeakPolarHBondContact O-CA 3.38Å; M482-G486 PolarHBondContact O-N 3.36Å; G486-A488 PolarHBondContact O-N 2.86Å
487K91.3Very high95.4Very high184 Ų18446.4 Ų46.480%0.825%0.248SC*.  trans59.63.1-178-59-175.8176.9-178.40115.8Q483 Y485Q483-K487 VanDerWaalsContact O-CA 3.25Å; Q483-K487 WeakPolarHBondContact O-CA 3.23Å; Q483-K487 PolarHBondContact O-N 2.95Å; Y485-K487 VanDerWaalsContact C-N 3.33Å
488A93.3Very high95.4Very high15 Ų1545.3 Ų45.312%0.12424%0.239CC..  trans-78.9149.2173.100000110.5Q483 G486 D492 T494 L496 A541Q483-A488 WeakPolarHBondContact CG-O 3.38Å; G486-A488 PolarHBondContact O-N 2.86Å; A488-D492 WeakPolarHBondContact CA-OD2 3.38Å; A488-D492 HydrophobicContact CB-CB 4.41Å; A488-T494 HydrophobicContact CB-CG2 4.22Å; A488-L496 HydrophobicContact CB-CD2 4.23Å; A488-L496 VanDerWaalsContact O-CD2 3.27Å; A488-L496 WeakPolarHBondContact O-CD2 3.47Å; A488-A541 HydrophobicContact CB-CB 3.72Å
489A94.8Very high95.4Very high42 Ų4245.9 Ų45.935%0.34724%0.242SC..  trans-118.9160.917100000110.4G491 D492A489-G491 PolarHBondContact O-N 3.28Å; A489-D492 PolarHBondContact N-OD2 3.36Å; A489-D492 VanDerWaalsContact O-CB 3.24Å; A489-D492 WeakPolarHBondContact O-CB 3.38Å; A489-D492 PolarHBondContact O-N 3.45Å
490P95.6Very high95.4Very high45 Ų4550.1 Ų50.129%0.29226%0.257SS..THydrogen-bonded Turntrans-56.3130.6167.8-20.633.1000109.9W500P490-W500 HydrophobicContact CB-CB 4.36Å; P490-W500 HydrophobicContact CB-CD2 3.81Å; P490-W500 HydrophobicContact CB-CE3 4.04Å; P490-W500 HydrophobicContact CB-CG 3.95Å; P490-W500 HydrophobicContact CG-CB 3.93Å; P490-W500 HydrophobicContact CG-CD2 3.57Å; P490-W500 HydrophobicContact CG-CE3 4.31Å; P490-W500 HydrophobicContact CG-CG 3.35Å
491G94.8Very high95.5Very high33 Ų3344.2 Ų44.234%0.3423%0.231SC..THydrogen-bonded Turntrans103.3-15.1-17100000114A489 R493 D497A489-G491 PolarHBondContact O-N 3.28Å; G491-R493 PolarHBondContact O-N 3.19Å; G491-D497 WeakPolarHBondContact CA-OD1 3.48Å; G491-D497 PolarHBondContact N-OD1 3.15Å
492D95Very high95.5Very high37 Ų3743.5 Ų43.520%0.19823%0.226CC..SBendtrans-80.86.1-176-73.1-15.5000114.4A488 A489 T494 G540 A541A488-D492 WeakPolarHBondContact CA-OD2 3.38Å; A488-D492 HydrophobicContact CB-CB 4.41Å; A489-D492 PolarHBondContact N-OD2 3.36Å; A489-D492 VanDerWaalsContact O-CB 3.24Å; A489-D492 WeakPolarHBondContact O-CB 3.38Å; A489-D492 PolarHBondContact O-N 3.45Å; D492-T494 HydrophobicContact CB-CG2 4.5Å; D492-G540 PolarHBondContact O-N 3.42Å; D492-G540 VanDerWaalsContact O-N 3.17Å; D492-A541 HydrophobicContact CB-CB 3.97Å; D492-A541 PolarHBondContact O-N 2.98Å
493R94.9Very high95.6Very high9 Ų943.3 Ų43.33%0.03422%0.224CC..SBendtrans63.762.6176.3-165.2-153.9174.1110.1-4.5112.3G491 D497 T534 M537 A539 L552 Q554 D556G491-R493 PolarHBondContact O-N 3.19Å; R493-D497 WeakPolarHBondContact CA-OD2 3.2Å; R493-D497 PolarHBondContact N-OD2 2.97Å; R493-T534 PolarHBondContact NH1-O 3.05Å; R493-T534 VanDerWaalsContact NH1-O 3.14Å; R493-M537 HydrophobicContact CB-CB 4.03Å; R493-M537 HydrophobicContact CG-CB 4.28Å; R493-M537 PolarHBondContact NH1-O 3.45Å; R493-A539 HydrophobicContact CB-CB 4.2Å; R493-L552 PolarHBondContact NH1-O 3.33Å; R493-L552 PolarHBondContact NH2-O 2.94Å; R493-Q554 PolarHBondContact NH2-O 3.32Å; R493-D556 HydrophobicContact CG-CB 4.15Å
494T95.6Very high95.7Very high21 Ų2144.7 Ų44.713%0.12923%0.231CC..SBendtrans-141.7178.2179.672.10000111.7A488 D492 L496 D497 A541 D556A488-T494 HydrophobicContact CB-CG2 4.22Å; D492-T494 HydrophobicContact CB-CG2 4.5Å; T494-L496 PolarHBondContact O-N 3.47Å; T494-L496 VanDerWaalsContact OG1-CB 3.24Å; T494-L496 WeakPolarHBondContact OG1-CB 3.09Å; T494-L496 PolarHBondContact OG1-N 3.48Å; T494-L496 VanDerWaalsContact OG1-N 3.12Å; T494-D497 PolarHBondContact N-OD2 3.38Å; T494-D497 WeakPolarHBondContact O-CB 3.43Å; T494-D497 PolarHBondContact O-N 2.84Å; T494-D497 VanDerWaalsContact O-OD2 3.07Å; T494-A541 HydrophobicContact CG2-CB 4.01Å; T494-D556 VanDerWaalsContact CA-OD1 3.32Å; T494-D556 WeakPolarHBondContact CA-OD1 3.44Å
495M96.4Very high95.9Very high9 Ų939.8 Ų39.84%0.04421%0.211CC..Hα-helixtrans-52.4-23.3168.561.9174.350.100114.6L450 Y451 M482 D497 L499 D556 G558 A562L450-M495 HydrophobicContact CB-SD 4.22Å; L450-M495 HydrophobicContact CD1-SD 4.21Å; Y451-M495 HydrophobicContact CD2-CE 4.26Å; Y451-M495 HydrophobicContact CE1-SD 4.32Å; Y451-M495 HydrophobicContact CE2-CE 3.46Å; Y451-M495 VanDerWaalsContact CE2-CE 3.46Å; Y451-M495 HydrophobicContact CE2-SD 4.12Å; M482-M495 HydrophobicContact CE-CG 3.7Å; M482-M495 HydrophobicContact CE-SD 3.57Å; M482-M495 VanDerWaalsContact CE-SD 3.57Å; M495-D497 PolarHBondContact O-N 3.28Å; M495-L499 WeakPolarHBondContact O-CG 3.41Å; M495-L499 PolarHBondContact O-N 3.39Å; M495-L499 VanDerWaalsContact O-N 3.16Å; M495-D556 PolarHBondContact N-OD1 2.93Å; M495-G558 WeakPolarHBondContact CB-O 3.16Å; M495-A562 HydrophobicContact CB-CB 4.2Å
496L97Very high96.2Very high3 Ų333.7 Ų33.72%0.01619%0.187CC..Hα-helixtrans-63.4-30.6177.4-172.465.4000112L479 Q483 A488 T494 L499 W500L479-L496 HydrophobicContact CD2-CD1 3.59Å; Q483-L496 HydrophobicContact CG-CD1 4.01Å; Q483-L496 HydrophobicContact CG-CD2 3.49Å; Q483-L496 VanDerWaalsContact CG-CD2 3.49Å; Q483-L496 HydrophobicContact CG-CG 4.39Å; A488-L496 HydrophobicContact CB-CD2 4.23Å; A488-L496 VanDerWaalsContact O-CD2 3.27Å; A488-L496 WeakPolarHBondContact O-CD2 3.47Å; T494-L496 PolarHBondContact O-N 3.47Å; T494-L496 VanDerWaalsContact OG1-CB 3.24Å; T494-L496 WeakPolarHBondContact OG1-CB 3.09Å; T494-L496 PolarHBondContact OG1-N 3.48Å; T494-L496 VanDerWaalsContact OG1-N 3.12Å; L496-L499 PolarHBondContact O-N 3Å; L496-W500 WeakPolarHBondContact O-CA 3.31Å; L496-W500 WeakPolarHBondContact O-CB 3.15Å; L496-W500 PolarHBondContact O-N 2.96Å
497D98.1Very high96.6Very high7 Ų734.7 Ų34.74%0.03718%0.183CC..Hα-helixtrans-61.6-49.4-179.7-67.7-64000111.5G491 R493 T494 M495 A501 T534G491-D497 WeakPolarHBondContact CA-OD1 3.48Å; G491-D497 PolarHBondContact N-OD1 3.15Å; R493-D497 WeakPolarHBondContact CA-OD2 3.2Å; R493-D497 PolarHBondContact N-OD2 2.97Å; T494-D497 PolarHBondContact N-OD2 3.38Å; T494-D497 WeakPolarHBondContact O-CB 3.43Å; T494-D497 PolarHBondContact O-N 2.84Å; T494-D497 VanDerWaalsContact O-OD2 3.07Å; M495-D497 PolarHBondContact O-N 3.28Å; D497-A501 WeakPolarHBondContact O-CB 3.36Å; D497-A501 PolarHBondContact O-N 2.77Å; D497-T534 HydrophobicContact CB-CG2 3.97Å
498S98.3Very high96.8Very high0 Ų027.9 Ų27.90%016%0.16CC..Hα-helixtrans-67-43.9176.9-66.70000112.5A502 A527 A531 A559S498-A502 PolarHBondContact O-N 2.67Å; S498-A527 WeakPolarHBondContact CB-O 3.28Å; S498-A527 WeakPolarHBondContact O-CB 3.48Å; S498-A527 PolarHBondContact OG-O 2.87Å; S498-A531 WeakPolarHBondContact OG-CA 3.34Å; S498-A531 WeakPolarHBondContact OG-CB 3.14Å; S498-A531 PolarHBondContact OG-N 3.05Å; S498-A559 WeakPolarHBondContact OG-CB 3.12Å; S498-A559 PolarHBondContact OG-O 2.9Å; S498-A559 VanDerWaalsContact OG-O 3.06Å
499L98.2Very high97Very high12 Ų1228.1 Ų28.16%0.06316%0.158CC..Hα-helixtrans-66.9-42.4179.9-66.9172.7000111.4M475 L479 M482 M495 L496 A502 G503 A562M475-L499 HydrophobicContact CE-CB 3.98Å; M475-L499 HydrophobicContact CE-CD2 4.15Å; M475-L499 WeakPolarHBondContact CE-O 3.36Å; L479-L499 HydrophobicContact CD2-CB 3.68Å; M482-L499 HydrophobicContact CE-CD1 3.8Å; M482-L499 HydrophobicContact SD-CD1 3.75Å; M495-L499 WeakPolarHBondContact O-CG 3.41Å; M495-L499 PolarHBondContact O-N 3.39Å; M495-L499 VanDerWaalsContact O-N 3.16Å; L496-L499 PolarHBondContact O-N 3Å; L499-A502 PolarHBondContact O-N 2.65Å; L499-G503 PolarHBondContact O-N 3.01Å; L499-A562 HydrophobicContact CD1-CB 4.5Å; L499-A562 HydrophobicContact CD2-CB 4.02Å; L499-A562 HydrophobicContact CG-CB 3.92Å
500W98.2Very high96.9Very high96 Ų9630.9 Ų30.936%0.36416%0.162SC..Hα-helixtrans-65.8-45.8178.1-176.289.1000111L479 P490 L496 A502 G503 Q504L479-W500 HydrophobicContact CD2-CB 4.4Å; P490-W500 HydrophobicContact CB-CB 4.36Å; P490-W500 HydrophobicContact CB-CD2 3.81Å; P490-W500 HydrophobicContact CB-CE3 4.04Å; P490-W500 HydrophobicContact CB-CG 3.95Å; P490-W500 HydrophobicContact CG-CB 3.93Å; P490-W500 HydrophobicContact CG-CD2 3.57Å; P490-W500 HydrophobicContact CG-CE3 4.31Å; P490-W500 HydrophobicContact CG-CG 3.35Å; L496-W500 WeakPolarHBondContact O-CA 3.31Å; L496-W500 WeakPolarHBondContact O-CB 3.15Å; L496-W500 PolarHBondContact O-N 2.96Å; W500-A502 VanDerWaalsContact C-N 3.29Å; W500-A502 PolarHBondContact O-N 2.86Å; W500-G503 WeakPolarHBondContact O-CA 3.17Å; W500-G503 PolarHBondContact O-N 2.89Å; W500-Q504 HydrophobicContact CD2-CG 3.84Å; W500-Q504 HydrophobicContact CE3-CG 3.86Å; W500-Q504 HydrophobicContact CH2-CG 3.68Å; W500-Q504 VanDerWaalsContact CZ2-CD 3.48Å; W500-Q504 HydrophobicContact CZ2-CG 3.63Å; W500-Q504 HydrophobicContact CZ3-CG 3.78Å; W500-Q504 WeakPolarHBondContact O-CG 3.46Å; W500-Q504 PolarHBondContact O-N 3.47Å
501A98.4Very high96.8Very high10 Ų1032.2 Ų32.28%0.08317%0.173CC..Hα-helixtrans-59.7-38.1177.300000112.7D497 S526 A530D497-A501 WeakPolarHBondContact O-CB 3.36Å; D497-A501 PolarHBondContact O-N 2.77Å; A501-S526 PolarHBondContact O-OG 3.47Å; A501-S526 VanDerWaalsContact O-OG 3.1Å; A501-A530 HydrophobicContact CB-CB 3.53Å
502A98.4Very high96.6Very high0 Ų037.1 Ų37.10%020%0.199CC..Hα-helixtrans-65.7-47.3169.100000112M475 S498 L499 W500 Q504 E505 L506 A523 A527 L566M475-A502 HydrophobicContact CE-CB 4.38Å; S498-A502 PolarHBondContact O-N 2.67Å; L499-A502 PolarHBondContact O-N 2.65Å; W500-A502 VanDerWaalsContact C-N 3.29Å; W500-A502 PolarHBondContact O-N 2.86Å; A502-Q504 VanDerWaalsContact C-N 3.26Å; A502-Q504 PolarHBondContact O-N 2.94Å; A502-E505 PolarHBondContact O-N 3.35Å; A502-L506 WeakPolarHBondContact O-CG 3.28Å; A502-L506 PolarHBondContact O-N 3.17Å; A502-A523 HydrophobicContact CB-CB 4.15Å; A502-A527 HydrophobicContact CB-CB 4.15Å; A502-L566 HydrophobicContact CB-CD1 3.56Å
503G97.8Very high96.3Very high0 Ų039.5 Ų39.50%023%0.232CC..Hα-helixtrans-58-35.7-178.500000113.8L499 W500 L506 Q507L499-G503 PolarHBondContact O-N 3.01Å; W500-G503 WeakPolarHBondContact O-CA 3.17Å; W500-G503 PolarHBondContact O-N 2.89Å; G503-L506 PolarHBondContact O-N 2.6Å; G503-Q507 PolarHBondContact O-N 3.11Å; G503-Q507 PolarHBondContact O-NE2 2.75Å
504Q98.3Very high96.2Very high96 Ų9640.3 Ų40.345%0.44924%0.24SC..Hα-helixtrans-63.1-40.3173.9-66.8-6287.100112.3W500 A502 Q507W500-Q504 HydrophobicContact CD2-CG 3.84Å; W500-Q504 HydrophobicContact CE3-CG 3.86Å; W500-Q504 HydrophobicContact CH2-CG 3.68Å; W500-Q504 VanDerWaalsContact CZ2-CD 3.48Å; W500-Q504 HydrophobicContact CZ2-CG 3.63Å; W500-Q504 HydrophobicContact CZ3-CG 3.78Å; W500-Q504 WeakPolarHBondContact O-CG 3.46Å; W500-Q504 PolarHBondContact O-N 3.47Å; A502-Q504 VanDerWaalsContact C-N 3.26Å; A502-Q504 PolarHBondContact O-N 2.94Å; Q504-Q507 WeakPolarHBondContact O-CB 3.37Å; Q504-Q507 WeakPolarHBondContact O-CG 3.29Å; Q504-Q507 PolarHBondContact O-N 2.85Å
505E98.1Very high96.2Very high45 Ų4543.3 Ų43.321%0.2126%0.256CS..Hα-helixtrans-73.1-36.2176.7-67.4-63.8177.800112.2A502 Q507 A508 V519 K522 A523A502-E505 PolarHBondContact O-N 3.35Å; E505-Q507 PolarHBondContact O-N 3.38Å; E505-Q507 VanDerWaalsContact O-N 3.15Å; E505-A508 WeakPolarHBondContact O-CB 3.02Å; E505-A508 PolarHBondContact O-N 3.08Å; E505-A508 VanDerWaalsContact O-N 3.14Å; E505-V519 WeakPolarHBondContact O-CG1 3.08Å; E505-K522 VanDerWaalsContact CD-CE 3.42Å; E505-K522 VanDerWaalsContact CD-NZ 3.26Å; E505-K522 HydrophobicContact CG-CG 4.24Å; E505-K522 WeakPolarHBondContact OE1-CE 3.38Å; E505-K522 IonicContact OE1-NZ 3.58Å; E505-K522 PolarHBondContact OE1-NZ 2.89Å; E505-K522 WeakPolarHBondContact OE2-CD 3.47Å; E505-K522 WeakPolarHBondContact OE2-CE 3.4Å; E505-K522 IonicContact OE2-NZ 2.76Å; E505-K522 PolarHBondContact OE2-NZ 3.16Å; E505-A523 HydrophobicContact CB-CB 3.81Å
506L97.8Very high96.1Very high9 Ų946.4 Ų46.45%0.04727%0.272CS..Hα-helixtrans-65.2-14.8177.3-65.4-175.9000113.2S472 M475 A502 G503 A508 W509 V519 L520 A523S472-L506 WeakPolarHBondContact CB-O 3.38Å; S472-L506 PolarHBondContact OG-O 3.22Å; M475-L506 HydrophobicContact CB-CD1 4.38Å; M475-L506 HydrophobicContact CG-CD1 4.09Å; M475-L506 HydrophobicContact SD-CD1 4.22Å; A502-L506 WeakPolarHBondContact O-CG 3.28Å; A502-L506 PolarHBondContact O-N 3.17Å; G503-L506 PolarHBondContact O-N 2.6Å; L506-A508 PolarHBondContact O-N 3.08Å; L506-W509 HydrophobicContact CB-CE3 4.13Å; L506-W509 HydrophobicContact CB-CZ3 4.33Å; L506-W509 HydrophobicContact CD1-CH2 4.28Å; L506-W509 HydrophobicContact CD1-CZ3 3.91Å; L506-W509 HydrophobicContact CD2-CD2 4.06Å; L506-W509 HydrophobicContact CD2-CE3 3.89Å; L506-W509 HydrophobicContact CD2-CH2 3.45Å; L506-W509 VanDerWaalsContact CD2-CH2 3.45Å; L506-W509 HydrophobicContact CD2-CZ2 3.62Å; L506-W509 HydrophobicContact CD2-CZ3 3.59Å; L506-W509 HydrophobicContact CG-CE3 4.38Å; L506-W509 HydrophobicContact CG-CH2 4.41Å; L506-W509 HydrophobicContact CG-CZ3 4.13Å; L506-W509 VanDerWaalsContact O-CB 3.27Å; L506-W509 WeakPolarHBondContact O-CB 3.35Å; L506-W509 PolarHBondContact O-N 3.3Å; L506-W509 VanDerWaalsContact O-N 3.08Å; L506-V519 HydrophobicContact CD2-CG1 4.17Å; L506-L520 HydrophobicContact CD2-CD1 4.39Å; L506-A523 HydrophobicContact CD2-CB 3.66Å; L506-A523 HydrophobicContact CG-CB 3.96Å
507Q97.6Very high96Very high56 Ų5649.3 Ų49.326%0.26229%0.287SS..G310 helixtrans-56.8-28.7170.9-62.3-55.6-55.900112.7S472 D476 G503 Q504 E505 W509 K510S472-Q507 PolarHBondContact OG-NE2 3.07Å; D476-Q507 PolarHBondContact OD1-NE2 2.98Å; D476-Q507 PolarHBondContact OD2-NE2 3.47Å; G503-Q507 PolarHBondContact O-N 3.11Å; G503-Q507 PolarHBondContact O-NE2 2.75Å; Q504-Q507 WeakPolarHBondContact O-CB 3.37Å; Q504-Q507 WeakPolarHBondContact O-CG 3.29Å; Q504-Q507 PolarHBondContact O-N 2.85Å; E505-Q507 PolarHBondContact O-N 3.38Å; E505-Q507 VanDerWaalsContact O-N 3.15Å; Q507-W509 PolarHBondContact O-N 3.43Å; Q507-W509 VanDerWaalsContact O-N 3.11Å; Q507-K510 WeakPolarHBondContact O-CB 3.34Å; Q507-K510 PolarHBondContact O-N 3.23Å
508A96.4Very high96Very high40 Ų4055.8 Ų55.833%0.33132%0.317SS..G310 helixtrans-60.2-22.1177.700000113.1E505 L506 K510 S511 A514 V519E505-A508 WeakPolarHBondContact O-CB 3.02Å; E505-A508 PolarHBondContact O-N 3.08Å; E505-A508 VanDerWaalsContact O-N 3.14Å; L506-A508 PolarHBondContact O-N 3.08Å; A508-K510 PolarHBondContact O-N 3.28Å; A508-S511 WeakPolarHBondContact O-CB 3.26Å; A508-S511 PolarHBondContact O-N 3.3Å; A508-S511 VanDerWaalsContact O-N 3.12Å; A508-A514 WeakPolarHBondContact O-CB 3.05Å; A508-V519 HydrophobicContact CB-CG1 4.03Å; A508-V519 HydrophobicContact CB-CG2 3.91Å
509W96.6Very high96Very high21 Ų2156.5 Ų56.58%0.0832%0.322CS..G310 helixtrans-65.4-14.3173-77.6-16.5000114.5L468 P469 W471 L506 Q507 S511 V519 L520L468-W509 HydrophobicContact CB-CB 3.87Å; L468-W509 HydrophobicContact CB-CG 4Å; L468-W509 HydrophobicContact CD1-CG 4.42Å; L468-W509 HydrophobicContact CD2-CD2 3.84Å; L468-W509 HydrophobicContact CD2-CE3 4.42Å; L468-W509 HydrophobicContact CD2-CG 3.97Å; L468-W509 HydrophobicContact CD2-CZ2 4.28Å; L468-W509 HydrophobicContact CG-CG 4.36Å; P469-W509 WeakPolarHBondContact CD-O 3.38Å; P469-W509 WeakPolarHBondContact CG-O 3.46Å; W471-W509 HydrophobicContact CB-CE3 4.03Å; W471-W509 HydrophobicContact CB-CZ3 3.82Å; L506-W509 HydrophobicContact CB-CE3 4.13Å; L506-W509 HydrophobicContact CB-CZ3 4.33Å; L506-W509 HydrophobicContact CD1-CH2 4.28Å; L506-W509 HydrophobicContact CD1-CZ3 3.91Å; L506-W509 HydrophobicContact CD2-CD2 4.06Å; L506-W509 HydrophobicContact CD2-CE3 3.89Å; L506-W509 HydrophobicContact CD2-CH2 3.45Å; L506-W509 VanDerWaalsContact CD2-CH2 3.45Å; L506-W509 HydrophobicContact CD2-CZ2 3.62Å; L506-W509 HydrophobicContact CD2-CZ3 3.59Å; L506-W509 HydrophobicContact CG-CE3 4.38Å; L506-W509 HydrophobicContact CG-CH2 4.41Å; L506-W509 HydrophobicContact CG-CZ3 4.13Å; L506-W509 VanDerWaalsContact O-CB 3.27Å; L506-W509 WeakPolarHBondContact O-CB 3.35Å; L506-W509 PolarHBondContact O-N 3.3Å; L506-W509 VanDerWaalsContact O-N 3.08Å; Q507-W509 PolarHBondContact O-N 3.43Å; Q507-W509 VanDerWaalsContact O-N 3.11Å; W509-S511 VanDerWaalsContact C-N 3.26Å; W509-V519 HydrophobicContact CD2-CG1 4.39Å; W509-V519 HydrophobicContact CG-CG1 4.15Å; W509-L520 HydrophobicContact CH2-CD1 4.46Å; W509-L520 HydrophobicContact CZ2-CB 4.21Å
510K93.8Very high95.9Very high99 Ų9956.5 Ų56.543%0.4332%0.321SS..G310 helixtrans-73.9-18.3173.3-64.8176.9177166.40112.1S472 D476 Q507 A508S472-K510 VanDerWaalsContact OG-CE 3.24Å; S472-K510 WeakPolarHBondContact OG-CE 3.2Å; D476-K510 IonicContact OD2-NZ 2.83Å; D476-K510 PolarHBondContact OD2-NZ 3.4Å; Q507-K510 WeakPolarHBondContact O-CB 3.34Å; Q507-K510 PolarHBondContact O-N 3.23Å; A508-K510 PolarHBondContact O-N 3.28Å
511S93.9Very high95.9Very high74 Ų7453.4 Ų53.452%0.51731%0.313SS..SBendtrans-79.3140.4-179.6-62.80000112.6A508 W509 G513 A514A508-S511 WeakPolarHBondContact O-CB 3.26Å; A508-S511 PolarHBondContact O-N 3.3Å; A508-S511 VanDerWaalsContact O-N 3.12Å; W509-S511 VanDerWaalsContact C-N 3.26Å; S511-G513 PolarHBondContact O-N 2.84Å; S511-A514 WeakPolarHBondContact O-CB 3.16Å; S511-A514 PolarHBondContact O-N 2.86Å
512P89.7Confident95.9Very high136 Ų13658.5 Ų58.588%0.88333%0.334SS*.THydrogen-bonded Turntrans-58.7133.2172.8-22.433.2000111.8A514P512-A514 VanDerWaalsContact C-N 3.34Å
513G89.1Confident95.9Very high86 Ų8658.6 Ų58.689%0.88733%0.334SS*.THydrogen-bonded Turntrans77.811.8178.100000115.4S511 D515S511-G513 PolarHBondContact O-N 2.84Å; G513-D515 PolarHBondContact O-N 3.43Å
514A92.8Very high96Very high26 Ų2658.6 Ų58.622%0.21533%0.334CS..  trans-58.8131.4176.100000112.1L468 A508 S511 P512L468-A514 WeakPolarHBondContact CD1-O 3.38Å; A508-A514 WeakPolarHBondContact O-CB 3.05Å; S511-A514 WeakPolarHBondContact O-CB 3.16Å; S511-A514 PolarHBondContact O-N 2.86Å; P512-A514 VanDerWaalsContact C-N 3.34Å
515D95.4Very high96Very high85 Ų8560.2 Ų60.246%0.45534%0.34SS..  trans-82.3124.8175.5-176.5-86.9000111G513 L517 Q518 V519G513-D515 PolarHBondContact O-N 3.43Å; D515-L517 PolarHBondContact O-N 3.49Å; D515-L517 PolarHBondContact OD1-N 3.28Å; D515-Q518 HydrophobicContact CB-CB 3.96Å; D515-Q518 WeakPolarHBondContact OD1-CB 3.28Å; D515-Q518 PolarHBondContact OD1-N 3.4Å; D515-V519 WeakPolarHBondContact O-CB 3.48Å; D515-V519 VanDerWaalsContact O-CG2 3.3Å; D515-V519 WeakPolarHBondContact O-CG2 3.48Å; D515-V519 PolarHBondContact O-N 2.9Å
516L93.9Very high96Very high73 Ų7359.6 Ų59.638%0.38234%0.341SS..Hα-helixtrans-59.8-48.5-176.1-179.4152.5000111.8L468 L520 L573L468-L516 HydrophobicContact CD1-CB 4.4Å; L468-L516 HydrophobicContact CD2-CB 4.2Å; L468-L516 HydrophobicContact CD2-CD1 3.81Å; L468-L516 HydrophobicContact CD2-CG 4.06Å; L516-L520 VanDerWaalsContact O-CB 3.24Å; L516-L520 WeakPolarHBondContact O-CB 3.47Å; L516-L520 PolarHBondContact O-N 3.43Å; L516-L573 HydrophobicContact CD2-CD1 4.39Å
517L96.2Very high96.1Very high64 Ų6459.2 Ų59.234%0.33534%0.338SS..Hα-helixtrans-76.8-37.5-171.9-72.1177.5000111.8D515 T521 L570 L573 Q574D515-L517 PolarHBondContact O-N 3.49Å; D515-L517 PolarHBondContact OD1-N 3.28Å; L517-T521 VanDerWaalsContact O-CB 3.24Å; L517-T521 WeakPolarHBondContact O-CB 3.37Å; L517-T521 PolarHBondContact O-N 3.29Å; L517-T521 PolarHBondContact O-OG1 2.87Å; L517-L570 HydrophobicContact CD2-CD1 4.41Å; L517-L573 HydrophobicContact CD2-CB 3.93Å; L517-Q574 HydrophobicContact CD2-CG 4.18Å
518Q96.9Very high96.1Very high143 Ų14360 Ų6067%0.66834%0.342SS*.Hα-helixtrans-64.3-48.7177.9-171-177.123.300111.1D515 T521 K522D515-Q518 HydrophobicContact CB-CB 3.96Å; D515-Q518 WeakPolarHBondContact OD1-CB 3.28Å; D515-Q518 PolarHBondContact OD1-N 3.4Å; Q518-T521 PolarHBondContact O-N 3.18Å; Q518-K522 PolarHBondContact O-N 2.99Å; Q518-K522 VanDerWaalsContact O-N 3.12Å
519V97.7Very high96.2Very high16 Ų1661 Ų6110%0.09735%0.351CS..Hα-helixtrans-65.4-44.4178.6173.70000110.6E505 L506 A508 W509 D515 T521 K522 A523E505-V519 WeakPolarHBondContact O-CG1 3.08Å; L506-V519 HydrophobicContact CD2-CG1 4.17Å; A508-V519 HydrophobicContact CB-CG1 4.03Å; A508-V519 HydrophobicContact CB-CG2 3.91Å; W509-V519 HydrophobicContact CD2-CG1 4.39Å; W509-V519 HydrophobicContact CG-CG1 4.15Å; D515-V519 WeakPolarHBondContact O-CB 3.48Å; D515-V519 VanDerWaalsContact O-CG2 3.3Å; D515-V519 WeakPolarHBondContact O-CG2 3.48Å; D515-V519 PolarHBondContact O-N 2.9Å; V519-T521 PolarHBondContact O-N 2.79Å; V519-K522 WeakPolarHBondContact O-CB 3.45Å; V519-K522 PolarHBondContact O-N 3.45Å; V519-A523 PolarHBondContact O-N 2.73Å
520L97.7Very high96.3Very high11 Ų1160.8 Ų60.86%0.05835%0.353CS..Hα-helixtrans-63.3-40.8177.5-174.861.3000112.1L506 W509 L516 K522 A523 V524 L570 L573L506-L520 HydrophobicContact CD2-CD1 4.39Å; W509-L520 HydrophobicContact CH2-CD1 4.46Å; W509-L520 HydrophobicContact CZ2-CB 4.21Å; L516-L520 VanDerWaalsContact O-CB 3.24Å; L516-L520 WeakPolarHBondContact O-CB 3.47Å; L516-L520 PolarHBondContact O-N 3.43Å; L520-K522 VanDerWaalsContact C-N 3.26Å; L520-K522 PolarHBondContact O-N 2.63Å; L520-A523 PolarHBondContact O-N 2.82Å; L520-V524 HydrophobicContact CD1-CG2 4.36Å; L520-V524 HydrophobicContact CG-CG2 4.41Å; L520-V524 WeakPolarHBondContact O-CG2 3.21Å; L520-V524 PolarHBondContact O-N 2.91Å; L520-L570 HydrophobicContact CB-CD1 4.26Å; L520-L570 HydrophobicContact CD2-CB 4.17Å; L520-L570 HydrophobicContact CD2-CD1 3.86Å; L520-L570 HydrophobicContact CG-CB 4.33Å; L520-L570 HydrophobicContact CG-CD1 3.94Å; L520-L573 HydrophobicContact CD2-CD1 3.62Å
521T98.4Very high96.5Very high31 Ų3156.2 Ų56.219%0.1933%0.334CS..Hα-helixtrans-58.8-40.2175.7-61.50000111.5L517 Q518 V519 K525 L570L517-T521 VanDerWaalsContact O-CB 3.24Å; L517-T521 WeakPolarHBondContact O-CB 3.37Å; L517-T521 PolarHBondContact O-N 3.29Å; L517-T521 PolarHBondContact O-OG1 2.87Å; Q518-T521 PolarHBondContact O-N 3.18Å; V519-T521 PolarHBondContact O-N 2.79Å; T521-K525 WeakPolarHBondContact O-CG 3.46Å; T521-K525 PolarHBondContact O-N 2.88Å; T521-L570 HydrophobicContact CG2-CD2 4.46Å
522K98.3Very high96.7Very high118 Ų11857.1 Ų57.151%0.51333%0.33SS..Hα-helixtrans-68-44.1176-165.7178.3177.7-140.70111.6E505 Q518 V519 L520 V524 K525 S526E505-K522 VanDerWaalsContact CD-CE 3.42Å; E505-K522 VanDerWaalsContact CD-NZ 3.26Å; E505-K522 HydrophobicContact CG-CG 4.24Å; E505-K522 WeakPolarHBondContact OE1-CE 3.38Å; E505-K522 IonicContact OE1-NZ 3.58Å; E505-K522 PolarHBondContact OE1-NZ 2.89Å; E505-K522 WeakPolarHBondContact OE2-CD 3.47Å; E505-K522 WeakPolarHBondContact OE2-CE 3.4Å; E505-K522 IonicContact OE2-NZ 2.76Å; E505-K522 PolarHBondContact OE2-NZ 3.16Å; Q518-K522 PolarHBondContact O-N 2.99Å; Q518-K522 VanDerWaalsContact O-N 3.12Å; V519-K522 WeakPolarHBondContact O-CB 3.45Å; V519-K522 PolarHBondContact O-N 3.45Å; L520-K522 VanDerWaalsContact C-N 3.26Å; L520-K522 PolarHBondContact O-N 2.63Å; K522-V524 PolarHBondContact O-N 2.67Å; K522-K525 PolarHBondContact O-N 2.79Å; K522-S526 WeakPolarHBondContact O-CB 3.44Å; K522-S526 PolarHBondContact O-N 2.84Å
523A98.4Very high97Very high1 Ų152.5 Ų52.51%0.00830%0.304CS..Hα-helixtrans-59.7-44.1176.800000112.8A502 E505 L506 V519 L520 S526 A527A502-A523 HydrophobicContact CB-CB 4.15Å; E505-A523 HydrophobicContact CB-CB 3.81Å; L506-A523 HydrophobicContact CD2-CB 3.66Å; L506-A523 HydrophobicContact CG-CB 3.96Å; V519-A523 PolarHBondContact O-N 2.73Å; L520-A523 PolarHBondContact O-N 2.82Å; A523-S526 WeakPolarHBondContact O-CB 3.11Å; A523-S526 PolarHBondContact O-N 3.17Å; A523-A527 PolarHBondContact O-N 2.69Å
524V98.7Very high97.3Very high0 Ų048.4 Ų48.40%026%0.261CS..Hα-helixtrans-63.6-45.1176.9177.90000111.3L520 K522 S526 A527 E528 L566 R567 L570L520-V524 HydrophobicContact CD1-CG2 4.36Å; L520-V524 HydrophobicContact CG-CG2 4.41Å; L520-V524 WeakPolarHBondContact O-CG2 3.21Å; L520-V524 PolarHBondContact O-N 2.91Å; K522-V524 PolarHBondContact O-N 2.67Å; V524-S526 VanDerWaalsContact C-N 3.28Å; V524-S526 PolarHBondContact O-N 2.95Å; V524-A527 PolarHBondContact O-N 3.46Å; V524-E528 WeakPolarHBondContact O-CG 3.42Å; V524-E528 PolarHBondContact O-N 2.83Å; V524-L566 HydrophobicContact CG2-CB 4.02Å; V524-L566 WeakPolarHBondContact CG2-O 3.32Å; V524-R567 HydrophobicContact CG1-CB 3.89Å; V524-L570 HydrophobicContact CB-CD2 4.08Å; V524-L570 HydrophobicContact CG1-CD2 4.42Å; V524-L570 HydrophobicContact CG2-CB 3.92Å; V524-L570 HydrophobicContact CG2-CD2 3.86Å
525K98.6Very high97.3Very high130 Ų13050.6 Ų50.657%0.56527%0.266SS*.Hα-helixtrans-60.7-39.1176-74179.2179-176.30111.9T521 K522 A529T521-K525 WeakPolarHBondContact O-CG 3.46Å; T521-K525 PolarHBondContact O-N 2.88Å; K522-K525 PolarHBondContact O-N 2.79Å; K525-A529 WeakPolarHBondContact O-CB 3.43Å; K525-A529 PolarHBondContact O-N 2.79Å
526S98.5Very high97.1Very high33 Ų3352.9 Ų52.923%0.23128%0.278CS..Hα-helixtrans-63.9-44.3175.6-1680000111.5A501 K522 A523 V524 E528 A529 A530A501-S526 PolarHBondContact O-OG 3.47Å; A501-S526 VanDerWaalsContact O-OG 3.1Å; K522-S526 WeakPolarHBondContact O-CB 3.44Å; K522-S526 PolarHBondContact O-N 2.84Å; A523-S526 WeakPolarHBondContact O-CB 3.11Å; A523-S526 PolarHBondContact O-N 3.17Å; V524-S526 VanDerWaalsContact C-N 3.28Å; V524-S526 PolarHBondContact O-N 2.95Å; S526-E528 PolarHBondContact O-N 2.68Å; S526-A529 PolarHBondContact O-N 2.66Å; S526-A530 VanDerWaalsContact O-CB 3.3Å; S526-A530 WeakPolarHBondContact O-CB 3.32Å; S526-A530 PolarHBondContact O-N 2.8Å
527A98.7Very high97Very high0 Ų051.8 Ų51.80%027%0.272CS..Hα-helixtrans-62.7-40.7177.200000113.5S498 A502 A523 V524 A530 A531 A563 L566S498-A527 WeakPolarHBondContact CB-O 3.28Å; S498-A527 WeakPolarHBondContact O-CB 3.48Å; S498-A527 PolarHBondContact OG-O 2.87Å; A502-A527 HydrophobicContact CB-CB 4.15Å; A523-A527 PolarHBondContact O-N 2.69Å; V524-A527 PolarHBondContact O-N 3.46Å; A527-A530 PolarHBondContact O-N 3.24Å; A527-A531 WeakPolarHBondContact O-CB 3.37Å; A527-A531 PolarHBondContact O-N 3.28Å; A527-A563 HydrophobicContact CB-CB 4.18Å; A527-L566 HydrophobicContact CB-CD1 3.72Å
528E98.6Very high96.7Very high72 Ų7256.1 Ų56.134%0.33629%0.29SS..Hα-helixtrans-68.6-42.9176.2-73.3175.216900112.2V524 S526 A530 A531 E532 A563 R567V524-E528 WeakPolarHBondContact O-CG 3.42Å; V524-E528 PolarHBondContact O-N 2.83Å; S526-E528 PolarHBondContact O-N 2.68Å; E528-A530 VanDerWaalsContact C-N 3.29Å; E528-A530 PolarHBondContact O-N 2.96Å; E528-A531 WeakPolarHBondContact O-CB 3.47Å; E528-A531 PolarHBondContact O-N 3.11Å; E528-E532 PolarHBondContact O-N 2.95Å; E528-A563 HydrophobicContact CG-CB 4.02Å; E528-R567 IonicContact OE1-CZ 2.9Å; E528-R567 IonicContact OE1-NE 2.84Å; E528-R567 PolarHBondContact OE1-NE 2.96Å; E528-R567 IonicContact OE1-NH2 2.64Å; E528-R567 PolarHBondContact OE1-NH2 3.33Å; E528-R567 IonicContact OE2-CZ 2.75Å; E528-R567 IonicContact OE2-NE 3.58Å; E528-R567 IonicContact OE2-NH2 3.32Å; E528-R567 PolarHBondContact OE2-NH2 3.24Å
529A98.4Very high96.4Very high63 Ų6349.9 Ų49.952%0.52126%0.263SS..Hα-helixtrans-62.2-40.2174.900000111.2K525 S526 E532 A533K525-A529 WeakPolarHBondContact O-CB 3.43Å; K525-A529 PolarHBondContact O-N 2.79Å; S526-A529 PolarHBondContact O-N 2.66Å; A529-E532 PolarHBondContact O-N 3.26Å; A529-A533 VanDerWaalsContact O-CB 3.3Å; A529-A533 WeakPolarHBondContact O-CB 3.47Å; A529-A533 PolarHBondContact O-N 2.92Å
530A98.3Very high96Very high15 Ų1551.5 Ų51.512%0.12428%0.283CS..Hα-helixtrans-66-42174.600000112A501 S526 A527 E528 E532 A533 T534A501-A530 HydrophobicContact CB-CB 3.53Å; S526-A530 VanDerWaalsContact O-CB 3.3Å; S526-A530 WeakPolarHBondContact O-CB 3.32Å; S526-A530 PolarHBondContact O-N 2.8Å; A527-A530 PolarHBondContact O-N 3.24Å; E528-A530 VanDerWaalsContact C-N 3.29Å; E528-A530 PolarHBondContact O-N 2.96Å; A530-E532 VanDerWaalsContact C-N 3.34Å; A530-E532 PolarHBondContact O-N 2.8Å; A530-A533 PolarHBondContact O-N 3.49Å; A530-T534 VanDerWaalsContact O-CG2 3.32Å; A530-T534 WeakPolarHBondContact O-CG2 3.27Å; A530-T534 PolarHBondContact O-N 3.21Å; A530-T534 VanDerWaalsContact O-N 3.15Å
531A97.9Very high95.6Very high4 Ų451.8 Ų51.83%0.03329%0.287CS..Hα-helixtrans-56.9-49.4174.100000110.7S498 A527 E528 A533 T534 A559 V560 A563S498-A531 WeakPolarHBondContact OG-CA 3.34Å; S498-A531 WeakPolarHBondContact OG-CB 3.14Å; S498-A531 PolarHBondContact OG-N 3.05Å; A527-A531 WeakPolarHBondContact O-CB 3.37Å; A527-A531 PolarHBondContact O-N 3.28Å; E528-A531 WeakPolarHBondContact O-CB 3.47Å; E528-A531 PolarHBondContact O-N 3.11Å; A531-A533 VanDerWaalsContact C-N 3.32Å; A531-A533 PolarHBondContact O-N 2.87Å; A531-T534 WeakPolarHBondContact O-CB 3.45Å; A531-T534 PolarHBondContact O-N 3.35Å; A531-T534 PolarHBondContact O-OG1 3.06Å; A531-A559 HydrophobicContact CB-CB 4.04Å; A531-V560 HydrophobicContact CB-CG2 4.34Å; A531-A563 HydrophobicContact CB-CB 4.14Å
532E97.6Very high95Very high93 Ų9352.8 Ų52.844%0.43530%0.303SS..Hα-helixtrans-63.7-37.6178-176.660.2-163.100112.1E528 A529 A530 T534 K535 P555E528-E532 PolarHBondContact O-N 2.95Å; A529-E532 PolarHBondContact O-N 3.26Å; A530-E532 VanDerWaalsContact C-N 3.34Å; A530-E532 PolarHBondContact O-N 2.8Å; E532-T534 PolarHBondContact O-N 3.15Å; E532-K535 WeakPolarHBondContact O-CD 3.36Å; E532-K535 WeakPolarHBondContact O-CG 3.5Å; E532-K535 PolarHBondContact O-N 3.24Å; E532-K535 WeakPolarHBondContact OE1-CD 3.39Å; E532-K535 VanDerWaalsContact OE1-CE 3.29Å; E532-K535 WeakPolarHBondContact OE1-CE 3.49Å; E532-K535 IonicContact OE1-NZ 3.05Å; E532-K535 PolarHBondContact OE1-NZ 2.78Å; E532-P555 WeakPolarHBondContact OE2-CG 3.38Å
533A96.8Very high94.3Very high39 Ų3953.9 Ų53.932%0.32230%0.304SS..Hα-helixtrans-65.2-25.4179.300000113.3A529 A530 A531 K535 N536 M537A529-A533 VanDerWaalsContact O-CB 3.3Å; A529-A533 WeakPolarHBondContact O-CB 3.47Å; A529-A533 PolarHBondContact O-N 2.92Å; A530-A533 PolarHBondContact O-N 3.49Å; A531-A533 VanDerWaalsContact C-N 3.32Å; A531-A533 PolarHBondContact O-N 2.87Å; A533-K535 PolarHBondContact O-N 3.12Å; A533-K535 VanDerWaalsContact O-N 3.1Å; A533-N536 PolarHBondContact O-N 3.41Å; A533-M537 HydrophobicContact CB-CE 4.1Å
534T95.4Very high93.7Very high0 Ų054.2 Ų54.20%031%0.307CS..G310 helixtrans-57.3-25.6178.365.40000113.6R493 D497 A530 A531 E532 N536 M537 P555 D556 A559R493-T534 PolarHBondContact NH1-O 3.05Å; R493-T534 VanDerWaalsContact NH1-O 3.14Å; D497-T534 HydrophobicContact CB-CG2 3.97Å; A530-T534 VanDerWaalsContact O-CG2 3.32Å; A530-T534 WeakPolarHBondContact O-CG2 3.27Å; A530-T534 PolarHBondContact O-N 3.21Å; A530-T534 VanDerWaalsContact O-N 3.15Å; A531-T534 WeakPolarHBondContact O-CB 3.45Å; A531-T534 PolarHBondContact O-N 3.35Å; A531-T534 PolarHBondContact O-OG1 3.06Å; E532-T534 PolarHBondContact O-N 3.15Å; T534-N536 PolarHBondContact O-N 3.38Å; T534-N536 VanDerWaalsContact O-N 3.11Å; T534-M537 HydrophobicContact CG2-SD 4.11Å; T534-M537 PolarHBondContact O-N 2.88Å; T534-P555 WeakPolarHBondContact OG1-CA 3.37Å; T534-D556 HydrophobicContact CG2-CB 4.15Å; T534-D556 PolarHBondContact OG1-N 2.76Å; T534-A559 HydrophobicContact CG2-CB 3.8Å
535K93.2Very high93.1Very high71 Ų7156.3 Ų56.331%0.30932%0.322SS..G310 helixtrans-60.4-22.6175.380.3-170.3179.2175.80113.4E532 A533 L552 P555E532-K535 WeakPolarHBondContact O-CD 3.36Å; E532-K535 WeakPolarHBondContact O-CG 3.5Å; E532-K535 PolarHBondContact O-N 3.24Å; E532-K535 WeakPolarHBondContact OE1-CD 3.39Å; E532-K535 VanDerWaalsContact OE1-CE 3.29Å; E532-K535 WeakPolarHBondContact OE1-CE 3.49Å; E532-K535 IonicContact OE1-NZ 3.05Å; E532-K535 PolarHBondContact OE1-NZ 2.78Å; A533-K535 PolarHBondContact O-N 3.12Å; A533-K535 VanDerWaalsContact O-N 3.1Å; K535-L552 VanDerWaalsContact O-O 3.05Å; K535-P555 HydrophobicContact CB-CG 4.4Å
536N91.9Very high92.3Very high134 Ų13459.7 Ų59.772%0.71733%0.332SS*.G310 helixtrans-104.15.2179.2-56.2-50.1000112.8A533 T534A533-N536 PolarHBondContact O-N 3.41Å; T534-N536 PolarHBondContact O-N 3.38Å; T534-N536 VanDerWaalsContact O-N 3.11Å
537M91.6Very high91.3Very high49 Ų4960.8 Ų60.824%0.24134%0.335CS..SBendtrans-94.6144.7-179-65.7178-176.400111.4R493 A533 T534R493-M537 HydrophobicContact CB-CB 4.03Å; R493-M537 HydrophobicContact CG-CB 4.28Å; R493-M537 PolarHBondContact NH1-O 3.45Å; A533-M537 HydrophobicContact CB-CE 4.1Å; T534-M537 HydrophobicContact CG2-SD 4.11Å; T534-M537 PolarHBondContact O-N 2.88Å
538E89.8Confident90.3Very high155 Ų15564.3 Ų64.372%0.72436%0.36SS*.  trans-75.8130.5164.8-171.9170.8-176.500109G540E538-G540 PolarHBondContact O-N 2.94Å
539A89.6Confident89.1Confident12 Ų1264.1 Ų64.110%0.09937%0.367CS..  trans-76.9109.1-177.400000110.8R493 A544 S545 L552R493-A539 HydrophobicContact CB-CB 4.2Å; A539-A544 VanDerWaalsContact CB-C 3.41Å; A539-A544 HydrophobicContact CB-CB 3.53Å; A539-S545 VanDerWaalsContact O-CA 3.31Å; A539-S545 WeakPolarHBondContact O-CA 3.48Å; A539-S545 VanDerWaalsContact O-CB 3.28Å; A539-S545 WeakPolarHBondContact O-CB 3.49Å; A539-L552 HydrophobicContact CB-CD1 4.12Å
540G89.9Confident87.9Confident50 Ų5064.7 Ų64.752%0.51537%0.371SS..  trans-85.6-18.1174.100000113.7D492 E538D492-G540 PolarHBondContact O-N 3.42Å; D492-G540 VanDerWaalsContact O-N 3.17Å; E538-G540 PolarHBondContact O-N 2.94Å
541A90Very high86.7Confident17 Ų1773.2 Ų73.214%0.1440%0.4CS..SBendtrans-141.5173-177.600000112.7A488 D492 T494A488-A541 HydrophobicContact CB-CB 3.72Å; D492-A541 HydrophobicContact CB-CB 3.97Å; D492-A541 PolarHBondContact O-N 2.98Å; T494-A541 HydrophobicContact CG2-CB 4.01Å
542G85.6Confident85.8Confident52 Ų5273.1 Ų73.154%0.53640%0.399SS..THydrogen-bonded Turntrans69.2-172.5179.900000113.8A544 S545G542-A544 PolarHBondContact O-N 3.25Å; G542-S545 PolarHBondContact O-N 3.42Å; G542-S545 PolarHBondContact O-OG 3.43Å
543R83.6Confident85.2Confident141 Ų14175.7 Ų75.753%0.53241%0.411SS..G310 helixtrans-65.1-29.2-179.7-68.9-177.2-179.2-83.74.5112.8A399 D401 S545 Y546A399-R543 CarbonylContact O-C 3.59Å; D401-R543 VanDerWaalsContact CG-NE 3.26Å; D401-R543 WeakPolarHBondContact OD1-CD 3.47Å; D401-R543 IonicContact OD1-CZ 3.68Å; D401-R543 IonicContact OD1-NE 3.98Å; D401-R543 PolarHBondContact OD1-NE 3.27Å; D401-R543 IonicContact OD2-CZ 2.68Å; D401-R543 IonicContact OD2-NE 2.63Å; D401-R543 PolarHBondContact OD2-NE 3.14Å; D401-R543 VanDerWaalsContact OD2-NE 3.1Å; D401-R543 IonicContact OD2-NH2 3.16Å; D401-R543 PolarHBondContact OD2-NH2 3.21Å; R543-S545 PolarHBondContact O-N 3.09Å; R543-Y546 WeakPolarHBondContact O-CD2 3.38Å; R543-Y546 PolarHBondContact O-N 3.02Å
544A85.1Confident85.1Confident8 Ų878.7 Ų78.77%0.06642%0.419CS..G310 helixtrans-61.6-27.1178.600000112.9A399 A539 G542 Y546 I547 L552A399-A544 HydrophobicContact CB-CB 4.07Å; A399-A544 PolarHBondContact O-N 3.42Å; A539-A544 VanDerWaalsContact CB-C 3.41Å; A539-A544 HydrophobicContact CB-CB 3.53Å; G542-A544 PolarHBondContact O-N 3.25Å; A544-Y546 PolarHBondContact O-N 3.31Å; A544-Y546 VanDerWaalsContact O-N 3.15Å; A544-I547 PolarHBondContact O-N 3.08Å; A544-I547 VanDerWaalsContact O-N 3.07Å; A544-L552 HydrophobicContact CB-CD1 4.31Å; A544-L552 HydrophobicContact CB-CD2 4.49Å
545S87Confident85.1Confident45 Ų4579.4 Ų79.432%0.31542%0.423SS..G310 helixtrans-63.4-16.6178.567.30000114.8A539 G542 R543 I547A539-S545 VanDerWaalsContact O-CA 3.31Å; A539-S545 WeakPolarHBondContact O-CA 3.48Å; A539-S545 VanDerWaalsContact O-CB 3.28Å; A539-S545 WeakPolarHBondContact O-CB 3.49Å; G542-S545 PolarHBondContact O-N 3.42Å; G542-S545 PolarHBondContact O-OG 3.43Å; R543-S545 PolarHBondContact O-N 3.09Å; S545-I547 VanDerWaalsContact C-N 3.35Å
546Y81Confident85.2Confident200 Ų20077 Ų7778%0.78441%0.414SS*.G310 helixtrans-87.3-3.9176.3-54.5-58.3000113.7R543 A544R543-Y546 WeakPolarHBondContact O-CD2 3.38Å; R543-Y546 PolarHBondContact O-N 3.02Å; A544-Y546 PolarHBondContact O-N 3.31Å; A544-Y546 VanDerWaalsContact O-N 3.15Å
547I78.1Confident85.4Confident57 Ų5771 Ų7129%0.29238%0.382SS..SBendtrans-113.6141.6-171.3-56.6171.3000109A399 A544 S545 S549 R551 L552A399-I547 HydrophobicContact CB-CD1 4.36Å; A399-I547 VanDerWaalsContact O-CD1 3.24Å; A399-I547 WeakPolarHBondContact O-CD1 3.37Å; A544-I547 PolarHBondContact O-N 3.08Å; A544-I547 VanDerWaalsContact O-N 3.07Å; S545-I547 VanDerWaalsContact C-N 3.35Å; I547-S549 PolarHBondContact O-N 3.16Å; I547-R551 HydrophobicContact CG2-CB 3.95Å; I547-L552 HydrophobicContact CB-CD2 4.27Å; I547-L552 HydrophobicContact CG2-CD2 4.1Å; I547-L552 HydrophobicContact CG2-CG 4.35Å
548S77.4Confident85.7Confident74 Ų7469 Ų6952%0.51737%0.374SS..  trans-58.1131.8173.31760000110.9A550 R551S548-A550 PolarHBondContact O-N 2.93Å; S548-R551 PolarHBondContact O-N 3.48Å
549S73.5Confident86Confident68 Ų6861.7 Ų61.748%0.47634%0.34SS..G310 helixtrans-52.3-30.217752.20000113.7I547 R551 L552I547-S549 PolarHBondContact O-N 3.16Å; S549-R551 PolarHBondContact O-N 3.48Å; S549-R551 VanDerWaalsContact O-N 3.09Å; S549-L552 PolarHBondContact O-N 2.93Å
550A72.1Confident86.4Confident75 Ų7562.6 Ų62.662%0.6234%0.344SS*.G310 helixtrans-62.9-13.4175.400000114.5S548S548-A550 PolarHBondContact O-N 2.93Å
551R72.8Confident86.8Confident193 Ų19360.2 Ų60.273%0.72832%0.319SS*.G310 helixtrans-101.8-0.2176.3-64.2-170.2176.1-167.4-0.1113.5I547 S548 S549I547-R551 HydrophobicContact CG2-CB 3.95Å; S548-R551 PolarHBondContact O-N 3.48Å; S549-R551 PolarHBondContact O-N 3.48Å; S549-R551 VanDerWaalsContact O-N 3.09Å
552L79.2Confident87.2Confident2 Ų259.4 Ų59.41%0.0131%0.313CS..  trans-107.952.9-167.7-64.5-177.1000112.3A399 R493 K535 A539 A544 I547 S549 Q554A399-L552 HydrophobicContact CB-CD2 3.43Å; A399-L552 VanDerWaalsContact CB-CD2 3.43Å; R493-L552 PolarHBondContact NH1-O 3.33Å; R493-L552 PolarHBondContact NH2-O 2.94Å; K535-L552 VanDerWaalsContact O-O 3.05Å; A539-L552 HydrophobicContact CB-CD1 4.12Å; A544-L552 HydrophobicContact CB-CD1 4.31Å; A544-L552 HydrophobicContact CB-CD2 4.49Å; I547-L552 HydrophobicContact CB-CD2 4.27Å; I547-L552 HydrophobicContact CG2-CD2 4.1Å; I547-L552 HydrophobicContact CG2-CG 4.35Å; S549-L552 PolarHBondContact O-N 2.93Å; L552-Q554 VanDerWaalsContact C-N 3.33Å; L552-Q554 PolarHBondContact O-N 3.35Å
553E86.6Confident87.8Confident148 Ų14857.1 Ų57.169%0.69229%0.289SS*.  trans-78.8-6.9-170.5-58.1-178.1163.900115.4
554Q93.1Very high88.6Confident102 Ų10251.2 Ų51.248%0.47727%0.27SS..SBendtrans-109.6155.3-175.7-63.1-62.2-36.400111.6L395 R493 L552L395-Q554 HydrophobicContact CD2-CB 3.81Å; L395-Q554 HydrophobicContact CD2-CG 4.4Å; R493-Q554 PolarHBondContact NH2-O 3.32Å; L552-Q554 VanDerWaalsContact C-N 3.33Å; L552-Q554 PolarHBondContact O-N 3.35Å
555P95.6Very high89.2Confident14 Ų1452.4 Ų52.49%0.09128%0.275CS..  trans-56.8149.8174-27.236.9000113.5E532 T534 K535 V560E532-P555 WeakPolarHBondContact OE2-CG 3.38Å; T534-P555 WeakPolarHBondContact OG1-CA 3.37Å; K535-P555 HydrophobicContact CB-CG 4.4Å; P555-V560 HydrophobicContact CB-CG2 3.65Å
556D96Very high89.7Confident22 Ų2251.3 Ų51.312%0.11827%0.265CS..  trans-63125.4171.8176.6-110.4000110.6R493 T494 M495 T534 G558 A559 V560R493-D556 HydrophobicContact CG-CB 4.15Å; T494-D556 VanDerWaalsContact CA-OD1 3.32Å; T494-D556 WeakPolarHBondContact CA-OD1 3.44Å; M495-D556 PolarHBondContact N-OD1 2.93Å; T534-D556 HydrophobicContact CG2-CB 4.15Å; T534-D556 PolarHBondContact OG1-N 2.76Å; D556-G558 PolarHBondContact O-N 3.13Å; D556-G558 VanDerWaalsContact OD1-CA 3.25Å; D556-G558 WeakPolarHBondContact OD1-CA 3.48Å; D556-G558 PolarHBondContact OD1-N 3.35Å; D556-A559 HydrophobicContact CB-CB 3.94Å; D556-A559 PolarHBondContact O-N 2.99Å; D556-A559 PolarHBondContact OD1-N 2.93Å; D556-V560 WeakPolarHBondContact O-CG2 3.37Å; D556-V560 PolarHBondContact O-N 3.43Å
557P96.4Very high90.6Very high8 Ų844.6 Ų44.65%0.05224%0.239CC..Hα-helixtrans-62.7-31-179.226.9-37.5000112.6L392 L395 D396 C404 A561L392-P557 HydrophobicContact CD2-CB 4.26Å; L392-P557 WeakPolarHBondContact CD2-O 3.42Å; L395-P557 HydrophobicContact CB-CB 3.97Å; D396-P557 HydrophobicContact CB-CB 4.26Å; D396-P557 HydrophobicContact CB-CG 3.84Å; C404-P557 HydrophobicContact CB-CB 3.96Å; C404-P557 HydrophobicContact CB-CG 4.15Å; P557-A561 WeakPolarHBondContact O-CB 3.47Å; P557-A561 PolarHBondContact O-N 3.24Å
558G96.3Very high91.5Very high7 Ų741.9 Ų41.97%0.07223%0.225CC..Hα-helixtrans-66.8-45.117600000112.4M495 D556 A561 A562M495-G558 WeakPolarHBondContact CB-O 3.16Å; D556-G558 PolarHBondContact O-N 3.13Å; D556-G558 VanDerWaalsContact OD1-CA 3.25Å; D556-G558 WeakPolarHBondContact OD1-CA 3.48Å; D556-G558 PolarHBondContact OD1-N 3.35Å; G558-A561 PolarHBondContact O-N 3.46Å; G558-A562 WeakPolarHBondContact O-CB 3.43Å; G558-A562 PolarHBondContact O-N 2.91Å
559A97.6Very high92.5Very high0 Ų040.6 Ų40.60%021%0.212CC..Hα-helixtrans-62.2-46.117600000111.7S498 A531 T534 D556 A561 A562 A563S498-A559 WeakPolarHBondContact OG-CB 3.12Å; S498-A559 PolarHBondContact OG-O 2.9Å; S498-A559 VanDerWaalsContact OG-O 3.06Å; A531-A559 HydrophobicContact CB-CB 4.04Å; T534-A559 HydrophobicContact CG2-CB 3.8Å; D556-A559 HydrophobicContact CB-CB 3.94Å; D556-A559 PolarHBondContact O-N 2.99Å; D556-A559 PolarHBondContact OD1-N 2.93Å; A559-A561 VanDerWaalsContact C-N 3.35Å; A559-A561 PolarHBondContact O-N 3.47Å; A559-A562 PolarHBondContact O-N 2.96Å; A559-A563 WeakPolarHBondContact O-CB 2.94Å; A559-A563 PolarHBondContact O-N 3.04Å
560V98.3Very high93.6Very high31 Ų3137.4 Ų37.419%0.18819%0.189CC..Hα-helixtrans-59.1-45.6175.4174.50000111.1L392 L395 A531 P555 D556 A563 A564L392-V560 HydrophobicContact CD2-CB 4.08Å; L392-V560 HydrophobicContact CD2-CG1 3.88Å; L395-V560 HydrophobicContact CD1-CB 4.44Å; L395-V560 HydrophobicContact CD1-CG2 4.1Å; A531-V560 HydrophobicContact CB-CG2 4.34Å; P555-V560 HydrophobicContact CB-CG2 3.65Å; D556-V560 WeakPolarHBondContact O-CG2 3.37Å; D556-V560 PolarHBondContact O-N 3.43Å; V560-A563 PolarHBondContact O-N 3Å; V560-A564 WeakPolarHBondContact O-CB 3.23Å; V560-A564 PolarHBondContact O-N 3.48Å
561A98.1Very high94.8Very high0 Ų037 Ų370%018%0.175CC..Hα-helixtrans-63.5-44.1177.900000112.4L392 H408 P557 G558 A559 A564 I565L392-A561 HydrophobicContact CD1-CB 3.95Å; L392-A561 HydrophobicContact CD2-CB 4.31Å; H408-A561 WeakPolarHBondContact NE2-CB 3.46Å; P557-A561 WeakPolarHBondContact O-CB 3.47Å; P557-A561 PolarHBondContact O-N 3.24Å; G558-A561 PolarHBondContact O-N 3.46Å; A559-A561 VanDerWaalsContact C-N 3.35Å; A559-A561 PolarHBondContact O-N 3.47Å; A561-A564 PolarHBondContact O-N 2.95Å; A561-I565 VanDerWaalsContact O-CG1 3.31Å; A561-I565 WeakPolarHBondContact O-CG1 3.45Å; A561-I565 PolarHBondContact O-N 2.68Å
562A98.2Very high96Very high1 Ų128.5 Ų28.51%0.00814%0.144CC..Hα-helixtrans-62.5-43.5177.900000112.4M495 L499 G558 A559 I565 L566M495-A562 HydrophobicContact CB-CB 4.2Å; L499-A562 HydrophobicContact CD1-CB 4.5Å; L499-A562 HydrophobicContact CD2-CB 4.02Å; L499-A562 HydrophobicContact CG-CB 3.92Å; G558-A562 WeakPolarHBondContact O-CB 3.43Å; G558-A562 PolarHBondContact O-N 2.91Å; A559-A562 PolarHBondContact O-N 2.96Å; A562-I565 PolarHBondContact O-N 3Å; A562-L566 PolarHBondContact O-N 3.43Å
563A98.6Very high96.6Very high4 Ų430.8 Ų30.83%0.03316%0.156CC..Hα-helixtrans-62.7-42.1174.800000111.9A527 E528 A531 A559 V560 I565 L566 R567A527-A563 HydrophobicContact CB-CB 4.18Å; E528-A563 HydrophobicContact CG-CB 4.02Å; A531-A563 HydrophobicContact CB-CB 4.14Å; A559-A563 WeakPolarHBondContact O-CB 2.94Å; A559-A563 PolarHBondContact O-N 3.04Å; V560-A563 PolarHBondContact O-N 3Å; A563-I565 VanDerWaalsContact C-N 3.34Å; A563-I565 PolarHBondContact O-N 2.87Å; A563-L566 PolarHBondContact O-N 3.36Å; A563-R567 WeakPolarHBondContact O-CB 3.26Å; A563-R567 PolarHBondContact O-N 3.15Å
564A98.6Very high96.9Very high16 Ų1629 Ų2913%0.13215%0.148CC..Hα-helixtrans-63.4-36.6177.500000112.9T384 L388 V560 A561 R567 A568T384-A564 HydrophobicContact CG2-CB 4.03Å; L388-A564 HydrophobicContact CD1-CB 3.58Å; V560-A564 WeakPolarHBondContact O-CB 3.23Å; V560-A564 PolarHBondContact O-N 3.48Å; A561-A564 PolarHBondContact O-N 2.95Å; A564-R567 PolarHBondContact O-N 3.47Å; A564-A568 WeakPolarHBondContact O-CB 3.48Å; A564-A568 PolarHBondContact O-N 2.89Å
565I98.4Very high96.6Very high34 Ų3429.5 Ų29.517%0.17416%0.163CC..Hα-helixtrans-61.8-48.5173.5-68.7163.2000110.3V381 L385 Y451 A561 A562 A563 R567 A568 I569V381-I565 HydrophobicContact CG1-CG1 4.08Å; V381-I565 HydrophobicContact CG1-CG2 4.19Å; V381-I565 HydrophobicContact CG2-CG2 4.26Å; L385-I565 HydrophobicContact CD1-CD1 4.32Å; L385-I565 HydrophobicContact CD1-CG1 4.23Å; L385-I565 HydrophobicContact CD2-CD1 4.33Å; L385-I565 HydrophobicContact CD2-CG1 4Å; L385-I565 HydrophobicContact CG-CG1 4.35Å; Y451-I565 HydrophobicContact CE1-CD1 4.34Å; A561-I565 VanDerWaalsContact O-CG1 3.31Å; A561-I565 WeakPolarHBondContact O-CG1 3.45Å; A561-I565 PolarHBondContact O-N 2.68Å; A562-I565 PolarHBondContact O-N 3Å; A563-I565 VanDerWaalsContact C-N 3.34Å; A563-I565 PolarHBondContact O-N 2.87Å; I565-R567 VanDerWaalsContact C-N 3.34Å; I565-R567 PolarHBondContact O-N 2.72Å; I565-A568 PolarHBondContact O-N 3.47Å; I565-I569 HydrophobicContact CG2-CD1 4.06Å; I565-I569 WeakPolarHBondContact O-CG1 3.42Å; I565-I569 PolarHBondContact O-N 3.38Å; I565-I569 VanDerWaalsContact O-N 3.08Å
566L98.4Very high96.6Very high21 Ų2130.3 Ų30.311%0.1117%0.166CC..Hα-helixtrans-63.2-39.5179-67.1172.3000112A502 V524 A527 A562 A563 I569 L570A502-L566 HydrophobicContact CB-CD1 3.56Å; V524-L566 HydrophobicContact CG2-CB 4.02Å; V524-L566 WeakPolarHBondContact CG2-O 3.32Å; A527-L566 HydrophobicContact CB-CD1 3.72Å; A562-L566 PolarHBondContact O-N 3.43Å; A563-L566 PolarHBondContact O-N 3.36Å; L566-I569 PolarHBondContact O-N 3.15Å; L566-L570 PolarHBondContact O-N 2.92Å; L566-L570 VanDerWaalsContact O-N 3.07Å
567R98.6Very high96.6Very high60 Ų6030.7 Ų30.723%0.22617%0.169CC..Hα-helixtrans-59.8-48174176.162.165.7-163.32.1111.7V524 E528 A563 A564 I565 I569 L570 E571V524-R567 HydrophobicContact CG1-CB 3.89Å; E528-R567 IonicContact OE1-CZ 2.9Å; E528-R567 IonicContact OE1-NE 2.84Å; E528-R567 PolarHBondContact OE1-NE 2.96Å; E528-R567 IonicContact OE1-NH2 2.64Å; E528-R567 PolarHBondContact OE1-NH2 3.33Å; E528-R567 IonicContact OE2-CZ 2.75Å; E528-R567 IonicContact OE2-NE 3.58Å; E528-R567 IonicContact OE2-NH2 3.32Å; E528-R567 PolarHBondContact OE2-NH2 3.24Å; A563-R567 WeakPolarHBondContact O-CB 3.26Å; A563-R567 PolarHBondContact O-N 3.15Å; A564-R567 PolarHBondContact O-N 3.47Å; I565-R567 VanDerWaalsContact C-N 3.34Å; I565-R567 PolarHBondContact O-N 2.72Å; R567-I569 VanDerWaalsContact C-N 3.29Å; R567-I569 PolarHBondContact O-N 2.7Å; R567-L570 PolarHBondContact O-N 2.9Å; R567-E571 WeakPolarHBondContact O-CG 3.33Å; R567-E571 PolarHBondContact O-N 2.93Å
568A98.3Very high96.6Very high0 Ų032 Ų320%018%0.175CC..Hα-helixtrans-59.7-38.6177.600000112.5R380 V381 A564 I565 V572R380-A568 HydrophobicContact CG-CB 3.9Å; V381-A568 HydrophobicContact CB-CB 4.46Å; V381-A568 HydrophobicContact CG2-CB 3.79Å; A564-A568 WeakPolarHBondContact O-CB 3.48Å; A564-A568 PolarHBondContact O-N 2.89Å; I565-A568 PolarHBondContact O-N 3.47Å; A568-V572 PolarHBondContact O-N 2.85Å
569I97.6Very high96.7Very high47 Ų4733.5 Ų33.524%0.24118%0.181CC..Hα-helixtrans-63.1-48.2175.1-66163.9000110.7V377 V381 I565 L566 R567 E571 V572 L573V377-I569 HydrophobicContact CG1-CB 4.32Å; V377-I569 HydrophobicContact CG1-CG1 3.71Å; V377-I569 HydrophobicContact CG1-CG2 4.38Å; V381-I569 HydrophobicContact CG2-CG1 4.05Å; I565-I569 HydrophobicContact CG2-CD1 4.06Å; I565-I569 WeakPolarHBondContact O-CG1 3.42Å; I565-I569 PolarHBondContact O-N 3.38Å; I565-I569 VanDerWaalsContact O-N 3.08Å; L566-I569 PolarHBondContact O-N 3.15Å; R567-I569 VanDerWaalsContact C-N 3.29Å; R567-I569 PolarHBondContact O-N 2.7Å; I569-E571 PolarHBondContact O-N 2.76Å; I569-V572 PolarHBondContact O-N 3.04Å; I569-L573 HydrophobicContact CG2-CD1 3.9Å; I569-L573 WeakPolarHBondContact O-CG 3.24Å; I569-L573 PolarHBondContact O-N 3.14Å
570L97.7Very high96.6Very high0 Ų035.6 Ų35.60%019%0.193CC..Hα-helixtrans-60.7-43.6-179.417465.2000112.3L517 L520 T521 V524 L566 R567 V572 L573 Q574L517-L570 HydrophobicContact CD2-CD1 4.41Å; L520-L570 HydrophobicContact CB-CD1 4.26Å; L520-L570 HydrophobicContact CD2-CB 4.17Å; L520-L570 HydrophobicContact CD2-CD1 3.86Å; L520-L570 HydrophobicContact CG-CB 4.33Å; L520-L570 HydrophobicContact CG-CD1 3.94Å; T521-L570 HydrophobicContact CG2-CD2 4.46Å; V524-L570 HydrophobicContact CB-CD2 4.08Å; V524-L570 HydrophobicContact CG1-CD2 4.42Å; V524-L570 HydrophobicContact CG2-CB 3.92Å; V524-L570 HydrophobicContact CG2-CD2 3.86Å; L566-L570 PolarHBondContact O-N 2.92Å; L566-L570 VanDerWaalsContact O-N 3.07Å; R567-L570 PolarHBondContact O-N 2.9Å; L570-V572 VanDerWaalsContact C-N 3.3Å; L570-V572 PolarHBondContact O-N 3.31Å; L570-L573 PolarHBondContact O-N 3.5Å; L570-L573 VanDerWaalsContact O-N 3.1Å; L570-Q574 HydrophobicContact CD1-CG 3.94Å; L570-Q574 HydrophobicContact CG-CG 4.32Å; L570-Q574 WeakPolarHBondContact O-CG 3.35Å; L570-Q574 PolarHBondContact O-N 2.71Å
571E97.1Very high96.5Very high67 Ų6735.9 Ų35.931%0.31319%0.193SC..Hα-helixtrans-56.8-42.9-179.5-73.4172.6173.700112.3R380 R567 I569 Q574 S575R380-E571 IonicContact CZ-OE2 3.51Å; R380-E571 IonicContact NE-OE2 2.71Å; R380-E571 PolarHBondContact NE-OE2 2.94Å; R380-E571 IonicContact NH2-OE1 3.42Å; R380-E571 IonicContact NH2-OE2 3.48Å; R380-E571 PolarHBondContact NH2-OE2 3.12Å; R567-E571 WeakPolarHBondContact O-CG 3.33Å; R567-E571 PolarHBondContact O-N 2.93Å; I569-E571 PolarHBondContact O-N 2.76Å; E571-Q574 PolarHBondContact O-N 3.41Å; E571-S575 PolarHBondContact O-N 3.04Å
572V96.5Very high96.4Very high15 Ų1538.4 Ų38.49%0.09121%0.207CC..Hα-helixtrans-73.3-28.7178.8178.10000112.2L376 V377 R380 A568 I569 L570 Q574 S575L376-V572 HydrophobicContact CB-CG1 3.85Å; V377-V572 HydrophobicContact CG2-CB 3.91Å; V377-V572 HydrophobicContact CG2-CG1 3.64Å; R380-V572 HydrophobicContact CB-CG2 3.5Å; R380-V572 HydrophobicContact CG-CG2 3.78Å; A568-V572 PolarHBondContact O-N 2.85Å; I569-V572 PolarHBondContact O-N 3.04Å; L570-V572 VanDerWaalsContact C-N 3.3Å; L570-V572 PolarHBondContact O-N 3.31Å; V572-Q574 VanDerWaalsContact C-N 3.34Å; V572-S575 PolarHBondContact O-OG 3.48Å
573L93.5Very high96.2Very high49 Ų4941.3 Ų41.326%0.25722%0.222SC..Hα-helixtrans-78.1-21.9176.7-67.1177.1000112.8L516 L517 L520 I569 L570L516-L573 HydrophobicContact CD2-CD1 4.39Å; L517-L573 HydrophobicContact CD2-CB 3.93Å; L520-L573 HydrophobicContact CD2-CD1 3.62Å; I569-L573 HydrophobicContact CG2-CD1 3.9Å; I569-L573 WeakPolarHBondContact O-CG 3.24Å; I569-L573 PolarHBondContact O-N 3.14Å; L570-L573 PolarHBondContact O-N 3.5Å; L570-L573 VanDerWaalsContact O-N 3.1Å
574Q92.7Very high96Very high111 Ų11144.4 Ų44.452%0.51924%0.238SC..Hα-helixtrans-82.3-22.9174.1-72.8178.4-35.200113.1L517 L570 E571 V572L517-Q574 HydrophobicContact CD2-CG 4.18Å; L570-Q574 HydrophobicContact CD1-CG 3.94Å; L570-Q574 HydrophobicContact CG-CG 4.32Å; L570-Q574 WeakPolarHBondContact O-CG 3.35Å; L570-Q574 PolarHBondContact O-N 2.71Å; E571-Q574 PolarHBondContact O-N 3.41Å; V572-Q574 VanDerWaalsContact C-N 3.34Å
575S85.2Confident95.8Very high113 Ų11347 Ų4779%0.7925%0.247SC*.  trans-81.30170.7680000112.7R373 E571 V572R373-S575 PolarHBondContact NH2-OXT 2.93Å; E571-S575 PolarHBondContact O-N 3.04Å; V572-S575 PolarHBondContact O-OG 3.48Å

Retrieved 575 of 575 residues in 113 ms (Link to these results)

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