G4VE80_SCHMA Loading...

Nicotinamide phosphoribosyltransferase

AlphaFold DB , UniProt , Accession G4VE80, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 472 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
1M45.5Very low73.3Confident238 Ų238113.5 Ų113.5100%1.17263%0.625SS**  097.50-77.6-172.9-93.700108.1
2M51.4Low75.3Confident162 Ų162104.5 Ų104.580%0.79858%0.575SS**  trans-96.694.5165.5-74.4175.6173.600105.8G4 Q6M2-G4 VanDerWaalsContact C-N 3.34Å; M2-Q6 PolarHBondContact SD-NE2 3.18Å
3S66.2Low76.9Confident131 Ų13196.8 Ų96.892%0.91653%0.533SS*.  trans-87.50.3-171.655.90000114.1
4G73.2Confident78.4Confident53 Ų5389.9 Ų89.955%0.54649%0.494SS..SBendtrans-128.2162.4-178.700000112.6M2M2-G4 VanDerWaalsContact C-N 3.34Å
5L73.5Confident79.7Confident93 Ų9387.1 Ų87.149%0.48748%0.479SS..  trans-58.5134.7168.3-68.8168.1000109.4S7 T9 E74 I78L5-S7 WeakPolarHBondContact CB-O 3.35Å; L5-T9 HydrophobicContact CD1-CG2 4.2Å; L5-E74 WeakPolarHBondContact CA-OE1 3.48Å; L5-I78 HydrophobicContact CD2-CD1 3.79Å
6Q73.2Confident80.7Confident110 Ų11084.5 Ų84.551%0.51446%0.463SS..SBendtrans-81.5-33.2173.6-64.8-177.71.600110.7M2 E74M2-Q6 PolarHBondContact SD-NE2 3.18Å; Q6-E74 PolarHBondContact N-OE1 2.84Å
7S77Confident81.6Confident26 Ų2680.8 Ų80.818%0.18245%0.445CS..SBendtrans-91162.2173.367.20000111.9L5 E74L5-S7 WeakPolarHBondContact CB-O 3.35Å; S7-E74 WeakPolarHBondContact CB-OE2 3.48Å; S7-E74 PolarHBondContact N-OE1 3.31Å; S7-E74 VanDerWaalsContact N-OE1 3.1Å; S7-E74 PolarHBondContact OG-OE1 3.19Å; S7-E74 PolarHBondContact OG-OE2 2.8Å
8N83.9Confident82.5Confident126 Ų12680.2 Ų80.267%0.67444%0.441SS*.  trans-63.1142.3168.1-166.3-14.3000109.1F10 D11N8-F10 PolarHBondContact O-N 2.91Å; N8-D11 HydrophobicContact CB-CB 4.05Å; N8-D11 WeakPolarHBondContact O-CB 3.36Å; N8-D11 PolarHBondContact O-N 3.01Å
9T83.3Confident83.2Confident85 Ų8578.6 Ų78.652%0.52144%0.436SS..THydrogen-bonded Turntrans-48.2-31.2-165.9-51.40000115.3L5L5-T9 HydrophobicContact CD1-CG2 4.2Å
10F88.3Confident83.8Confident144 Ų14480.5 Ų80.563%0.63244%0.437SS*.THydrogen-bonded Turntrans-118.927-176.6-52.8-59.7000113.6N8N8-F10 PolarHBondContact O-N 2.91Å
11D91.2Very high84.5Confident81 Ų8177.1 Ų77.143%0.43342%0.418SS..THydrogen-bonded Turntrans-108.8-26.5-174.9-176.164000114.2N8 I13 K71N8-D11 HydrophobicContact CB-CB 4.05Å; N8-D11 WeakPolarHBondContact O-CB 3.36Å; N8-D11 PolarHBondContact O-N 3.01Å; D11-I13 PolarHBondContact O-N 2.91Å; D11-K71 VanDerWaalsContact CG-NZ 3.31Å; D11-K71 PolarHBondContact O-NZ 2.81Å; D11-K71 IonicContact OD1-NZ 3.96Å; D11-K71 WeakPolarHBondContact OD2-CE 3.42Å; D11-K71 IonicContact OD2-NZ 3.64Å; D11-K71 PolarHBondContact OD2-NZ 2.94Å
12N96.8Very high87Confident5 Ų565.9 Ų65.93%0.02736%0.363CS..  trans-79.191.3179.6-169.8-18.9000111.7I14 L15 L16 K71 E74N12-I14 PolarHBondContact O-N 3.02Å; N12-I14 WeakPolarHBondContact OD1-CB 3.35Å; N12-I14 PolarHBondContact OD1-N 2.95Å; N12-L15 HydrophobicContact CB-CD1 4.21Å; N12-L15 PolarHBondContact O-N 3.13Å; N12-L16 PolarHBondContact O-N 3.32Å; N12-K71 HydrophobicContact CB-CG 4.37Å; N12-K71 WeakPolarHBondContact ND2-CA 3.26Å; N12-K71 PolarHBondContact ND2-O 2.93Å; N12-E74 PolarHBondContact ND2-OE2 3.5Å
13I96.8Very high89.1Confident4 Ų459.3 Ų59.32%0.02133%0.333CS..G310 helixtrans-54.2-28.7-177.1-160.4-173.6000114D11 L15 L16 N61 L62 V66 V67 L104 L140 I143D11-I13 PolarHBondContact O-N 2.91Å; I13-L15 PolarHBondContact O-N 3.14Å; I13-L16 PolarHBondContact O-N 3.42Å; I13-L16 VanDerWaalsContact O-N 3.16Å; I13-N61 VanDerWaalsContact CD1-O 3.29Å; I13-N61 WeakPolarHBondContact CD1-O 3.34Å; I13-L62 HydrophobicContact CD1-CD1 4.38Å; I13-V66 HydrophobicContact CD1-CG2 4.17Å; I13-V66 HydrophobicContact CG2-CB 4.43Å; I13-V66 HydrophobicContact CG2-CG2 4.29Å; I13-V67 HydrophobicContact CG2-CG2 4.11Å; I13-L104 HydrophobicContact CD1-CD1 3.64Å; I13-L140 HydrophobicContact CD1-CD2 3.89Å; I13-I143 HydrophobicContact CD1-CD1 4.24Å; I13-I143 HydrophobicContact CG1-CD1 3.67Å
14I97.9Very high90.6Very high0 Ų054.9 Ų54.90%030%0.298CS..G310 helixtrans-62-35177.7-56176.5000110.1N12 V67 K71 I72 A75 F88 W93 Y139N12-I14 PolarHBondContact O-N 3.02Å; N12-I14 WeakPolarHBondContact OD1-CB 3.35Å; N12-I14 PolarHBondContact OD1-N 2.95Å; I14-V67 HydrophobicContact CD1-CG1 4.39Å; I14-K71 HydrophobicContact CD1-CB 4.42Å; I14-I72 HydrophobicContact CD1-CB 4.32Å; I14-I72 HydrophobicContact CD1-CG1 3.58Å; I14-A75 HydrophobicContact CB-CB 3.93Å; I14-A75 HydrophobicContact CD1-CB 4.33Å; I14-A75 HydrophobicContact CG2-CB 3.52Å; I14-F88 HydrophobicContact CG2-CE2 3.51Å; I14-F88 HydrophobicContact CG2-CZ 3.8Å; I14-W93 HydrophobicContact CB-CZ2 4.34Å; I14-W93 HydrophobicContact CD1-CB 4.36Å; I14-W93 HydrophobicContact CD1-CD2 3.94Å; I14-W93 HydrophobicContact CD1-CE3 4.13Å; I14-W93 HydrophobicContact CD1-CG 4.08Å; I14-W93 HydrophobicContact CG1-CD2 3.81Å; I14-W93 HydrophobicContact CG1-CE3 3.85Å; I14-W93 HydrophobicContact CG1-CG 4.42Å; I14-W93 HydrophobicContact CG1-CH2 4.16Å; I14-W93 HydrophobicContact CG1-CZ2 4.12Å; I14-W93 HydrophobicContact CG1-CZ3 4.03Å; I14-W93 HydrophobicContact CG2-CD2 4.29Å; I14-W93 HydrophobicContact CG2-CZ2 4.07Å; I14-Y139 WeakPolarHBondContact O-CE1 3.29Å; I14-Y139 PolarHBondContact O-OH 2.84Å
15L96.9Very high91.7Very high49 Ų4955 Ų5526%0.25728%0.282SS..G310 helixtrans-91.6-5.5-179.7-64.3171.5000113.3N12 I13 C17 A75 I78 L79N12-L15 HydrophobicContact CB-CD1 4.21Å; N12-L15 PolarHBondContact O-N 3.13Å; I13-L15 PolarHBondContact O-N 3.14Å; L15-C17 PolarHBondContact O-N 3.23Å; L15-C17 VanDerWaalsContact O-N 3.1Å; L15-A75 HydrophobicContact CD1-CB 4.38Å; L15-A75 HydrophobicContact CD2-CB 3.98Å; L15-A75 HydrophobicContact CG-CB 3.96Å; L15-I78 HydrophobicContact CD1-CD1 3.69Å; L15-I78 HydrophobicContact CD2-CB 4.35Å; L15-I78 HydrophobicContact CD2-CG2 4.2Å; L15-L79 HydrophobicContact CD2-CD1 4.31Å; L15-L79 HydrophobicContact CD2-CD2 4.07Å; L15-L79 HydrophobicContact CD2-CG 3.96Å
16L96.1Very high92.9Very high45 Ų4554.4 Ų54.424%0.23629%0.286CS..SBendtrans-86.851.3177.4-60.2-176.3000111.8N12 I13 I143N12-L16 PolarHBondContact O-N 3.32Å; I13-L16 PolarHBondContact O-N 3.42Å; I13-L16 VanDerWaalsContact O-N 3.16Å; L16-I143 HydrophobicContact CB-CD1 3.85Å; L16-I143 HydrophobicContact CB-CG1 4.17Å; L16-I143 HydrophobicContact CD1-CD1 4.39Å; L16-I143 WeakPolarHBondContact O-CG1 3.2Å
17C96.2Very high94Very high21 Ų2155 Ų5514%0.14229%0.288CS..SBendtrans-141.4160.3179.370.60000112.5L15 S19 K21 Y139 T142L15-C17 PolarHBondContact O-N 3.23Å; L15-C17 VanDerWaalsContact O-N 3.1Å; C17-S19 PolarHBondContact O-N 2.82Å; C17-K21 HydrophobicContact CB-CB 4.34Å; C17-Y139 HydrophobicContact CB-CD1 4.09Å; C17-Y139 HydrophobicContact CB-CE1 3.63Å; C17-Y139 VanDerWaalsContact SG-CE1 3.56Å; C17-Y139 PolarHBondContact SG-OH 2.95Å; C17-T142 WeakPolarHBondContact CA-OG1 3.38Å
18D96.8Very high94.9Very high71 Ų7156.4 Ų56.438%0.3829%0.29SS..  trans-64131163.6-66.5-25.3000109.5Y20 K21 T142D18-Y20 HydrophobicContact CB-CD1 3.76Å; D18-Y20 HydrophobicContact CB-CE1 3.24Å; D18-Y20 HydrophobicContact CB-CE2 4.34Å; D18-Y20 HydrophobicContact CB-CG 4.47Å; D18-Y20 PolarHBondContact O-N 3.41Å; D18-Y20 WeakPolarHBondContact OD2-CE1 3.46Å; D18-Y20 VanDerWaalsContact OD2-CZ 3.31Å; D18-Y20 PolarHBondContact OD2-OH 3.29Å; D18-K21 HydrophobicContact CB-CG 4.24Å; D18-K21 WeakPolarHBondContact O-CB 3.17Å; D18-K21 VanDerWaalsContact O-CG 3.23Å; D18-K21 WeakPolarHBondContact O-CG 3.45Å; D18-K21 PolarHBondContact O-N 3.45Å; D18-T142 PolarHBondContact N-OG1 3.21Å
19S96.8Very high95.5Very high49 Ų4954 Ų5434%0.34328%0.282SS..G310 helixtrans-58.4-30.4-169.163.40000114.1C17 K21 V22 H82 F83C17-S19 PolarHBondContact O-N 2.82Å; S19-K21 PolarHBondContact O-N 3.31Å; S19-K21 VanDerWaalsContact O-N 3.14Å; S19-V22 VanDerWaalsContact O-CB 3.25Å; S19-V22 WeakPolarHBondContact O-CB 3.37Å; S19-V22 VanDerWaalsContact O-CG2 3.29Å; S19-V22 WeakPolarHBondContact O-CG2 3.38Å; S19-V22 PolarHBondContact O-N 2.64Å; S19-H82 WeakPolarHBondContact CB-NE2 3.49Å; S19-H82 PolarHBondContact OG-NE2 3.5Å; S19-F83 WeakPolarHBondContact O-CZ 3.42Å
20Y95.9Very high96.2Very high116 Ų11654.3 Ų54.346%0.45529%0.292SS..G310 helixtrans-60.8-25.4176.961.6-100.5000113.1D18 V22 S23 H24D18-Y20 HydrophobicContact CB-CD1 3.76Å; D18-Y20 HydrophobicContact CB-CE1 3.24Å; D18-Y20 HydrophobicContact CB-CE2 4.34Å; D18-Y20 HydrophobicContact CB-CG 4.47Å; D18-Y20 PolarHBondContact O-N 3.41Å; D18-Y20 WeakPolarHBondContact OD2-CE1 3.46Å; D18-Y20 VanDerWaalsContact OD2-CZ 3.31Å; D18-Y20 PolarHBondContact OD2-OH 3.29Å; Y20-V22 PolarHBondContact O-N 2.96Å; Y20-S23 PolarHBondContact O-N 2.85Å; Y20-S23 PolarHBondContact O-OG 3.13Å; Y20-H24 AromaticContact CD2-CE1 3.69Å; Y20-H24 AromaticContact CD2-NE2 3.47Å; Y20-H24 WeakPolarHBondContact CD2-NE2 3.39Å; Y20-H24 AromaticContact CE2-CE1 3.96Å; Y20-H24 PolarHBondContact O-CD2 3.08Å; Y20-H24 PolarHBondContact O-NE2 3.42Å
21K97.5Very high96.6Very high10 Ų1049.1 Ų49.14%0.04328%0.28CS..G310 helixtrans-62.5-26.3175.5-59.9-67.9-170.6168.20113C17 D18 S19 S23 H24 T138 Y139 E141C17-K21 HydrophobicContact CB-CB 4.34Å; D18-K21 HydrophobicContact CB-CG 4.24Å; D18-K21 WeakPolarHBondContact O-CB 3.17Å; D18-K21 VanDerWaalsContact O-CG 3.23Å; D18-K21 WeakPolarHBondContact O-CG 3.45Å; D18-K21 PolarHBondContact O-N 3.45Å; S19-K21 PolarHBondContact O-N 3.31Å; S19-K21 VanDerWaalsContact O-N 3.14Å; K21-S23 PolarHBondContact O-N 2.91Å; K21-H24 WeakPolarHBondContact O-CB 3.48Å; K21-H24 PolarHBondContact O-N 3.47Å; K21-H24 VanDerWaalsContact O-N 3.15Å; K21-T138 WeakPolarHBondContact CD-O 3.26Å; K21-T138 WeakPolarHBondContact CE-O 3.35Å; K21-T138 PolarHBondContact NZ-O 2.8Å; K21-Y139 HydrophobicContact CB-CD2 4.08Å; K21-Y139 HydrophobicContact CB-CE2 4.29Å; K21-E141 IonicContact NZ-OE2 3.18Å; K21-E141 PolarHBondContact NZ-OE2 3.26Å
22V97.7Very high96.9Very high3 Ų345.6 Ų45.62%0.01826%0.261CS..G310 helixtrans-58.2-36.4-177.7174.60000112.2S19 Y20 Y25 L79 F83 F88S19-V22 VanDerWaalsContact O-CB 3.25Å; S19-V22 WeakPolarHBondContact O-CB 3.37Å; S19-V22 VanDerWaalsContact O-CG2 3.29Å; S19-V22 WeakPolarHBondContact O-CG2 3.38Å; S19-V22 PolarHBondContact O-N 2.64Å; Y20-V22 PolarHBondContact O-N 2.96Å; V22-Y25 VanDerWaalsContact O-CD1 3.24Å; V22-Y25 WeakPolarHBondContact O-CD1 3.04Å; V22-Y25 WeakPolarHBondContact O-CE1 3.47Å; V22-L79 HydrophobicContact CG1-CD1 3.99Å; V22-L79 HydrophobicContact CG2-CD1 4.07Å; V22-L79 HydrophobicContact CG2-CD2 3.87Å; V22-F83 HydrophobicContact CB-CE2 3.96Å; V22-F83 HydrophobicContact CB-CZ 4.24Å; V22-F83 HydrophobicContact CG1-CE2 3.91Å; V22-F83 HydrophobicContact CG2-CE2 4.2Å; V22-F88 HydrophobicContact CG1-CB 4.46Å; V22-F88 HydrophobicContact CG1-CD2 4.25Å
23S96.7Very high97Very high23 Ų2348.1 Ų48.116%0.16127%0.273CS..G310 helixtrans-94.8-6.1-179.263.10000114.4Y20 K21 Y25 S26 Q27Y20-S23 PolarHBondContact O-N 2.85Å; Y20-S23 PolarHBondContact O-OG 3.13Å; K21-S23 PolarHBondContact O-N 2.91Å; S23-Y25 PolarHBondContact O-N 3.22Å; S23-Y25 VanDerWaalsContact O-N 3.13Å; S23-S26 PolarHBondContact O-N 3.46Å; S23-S26 VanDerWaalsContact O-N 3.14Å; S23-S26 PolarHBondContact O-OG 2.96Å; S23-Q27 PolarHBondContact OG-NE2 2.64Å
24H96.9Very high97.1Very high39 Ų3949.9 Ų49.918%0.18128%0.281CS..Hα-helixtrans-61.1-28.8-172.5-80.1-163.7000113.7Y20 K21 S26 Q27 Y28Y20-H24 AromaticContact CD2-CE1 3.69Å; Y20-H24 AromaticContact CD2-NE2 3.47Å; Y20-H24 WeakPolarHBondContact CD2-NE2 3.39Å; Y20-H24 AromaticContact CE2-CE1 3.96Å; Y20-H24 PolarHBondContact O-CD2 3.08Å; Y20-H24 PolarHBondContact O-NE2 3.42Å; K21-H24 WeakPolarHBondContact O-CB 3.48Å; K21-H24 PolarHBondContact O-N 3.47Å; K21-H24 VanDerWaalsContact O-N 3.15Å; H24-S26 PolarHBondContact O-N 2.82Å; H24-Q27 PolarHBondContact O-N 3.36Å; H24-Y28 HydrophobicContact CB-CE2 4.43Å; H24-Y28 WeakPolarHBondContact O-CD2 3.29Å; H24-Y28 PolarHBondContact O-N 3.09Å
25Y97.3Very high97.1Very high55 Ų5550.2 Ų50.222%0.21628%0.282CS..Hα-helixtrans-54.9-37.6177.676.1-75.3000112.4V22 S23 I87 N89 Y134V22-Y25 VanDerWaalsContact O-CD1 3.24Å; V22-Y25 WeakPolarHBondContact O-CD1 3.04Å; V22-Y25 WeakPolarHBondContact O-CE1 3.47Å; S23-Y25 PolarHBondContact O-N 3.22Å; S23-Y25 VanDerWaalsContact O-N 3.13Å; Y25-I87 WeakPolarHBondContact CE1-O 3.49Å; Y25-I87 PolarHBondContact OH-O 3.26Å; Y25-N89 HydrophobicContact CD1-CB 3.6Å; Y25-N89 HydrophobicContact CD2-CB 3.92Å; Y25-N89 VanDerWaalsContact CD2-CG 3.49Å; Y25-N89 HydrophobicContact CE1-CB 3.69Å; Y25-N89 HydrophobicContact CE2-CB 3.99Å; Y25-N89 HydrophobicContact CG-CB 3.72Å; Y25-Y134 PolarHBondContact O-OH 2.67Å
26S96.8Very high97.2Very high81 Ų8148.4 Ų48.457%0.56627%0.272SS*.Hα-helixtrans-86.3-8.6179.662.80000113.9S23 H24S23-S26 PolarHBondContact O-N 3.46Å; S23-S26 VanDerWaalsContact O-N 3.14Å; S23-S26 PolarHBondContact O-OG 2.96Å; H24-S26 PolarHBondContact O-N 2.82Å
27Q97.1Very high97.3Very high122 Ų12246.3 Ų46.357%0.5726%0.261SS*.Hα-helixtrans-91.5-17.8-179.2-60.5178.322.900113S23 H24S23-Q27 PolarHBondContact OG-NE2 2.64Å; H24-Q27 PolarHBondContact O-N 3.36Å
28Y96.8Very high97.4Very high55 Ų5545.3 Ų45.322%0.21625%0.254CS..SBendtrans-69.8153.7173.9-76.3-69000111.4H24 A30 I35 Y134 T138H24-Y28 HydrophobicContact CB-CE2 4.43Å; H24-Y28 WeakPolarHBondContact O-CD2 3.29Å; H24-Y28 PolarHBondContact O-N 3.09Å; Y28-A30 PolarHBondContact O-N 3Å; Y28-I35 HydrophobicContact CD1-CD1 4.1Å; Y28-I35 HydrophobicContact CE1-CD1 3.76Å; Y28-I35 HydrophobicContact CE1-CG1 4.21Å; Y28-Y134 AromaticContact CD2-CD2 3.87Å; Y28-Y134 HydrophobicContact CD2-CD2 3.87Å; Y28-Y134 AromaticContact CD2-CE2 3.75Å; Y28-Y134 HydrophobicContact CD2-CE2 3.75Å; Y28-Y134 HydrophobicContact CE2-CD2 4.49Å; Y28-Y134 HydrophobicContact CG-CD2 4.22Å; Y28-Y134 HydrophobicContact CG-CE2 4.11Å; Y28-T138 VanDerWaalsContact OH-CG2 3.24Å; Y28-T138 WeakPolarHBondContact OH-CG2 3.16Å; Y28-T138 PolarHBondContact OH-OG1 3.38Å
29P96.7Very high97.5Very high77 Ų7741.9 Ų41.950%0.524%0.236SC..PPolyproline II helixtrans-54141.8172.9-25.434.7000112.1G31 T32 V393P29-G31 PolarHBondContact O-N 3.44Å; P29-T32 WeakPolarHBondContact O-CB 3.25Å; P29-T32 PolarHBondContact O-N 3.39Å; P29-T32 VanDerWaalsContact O-N 3.09Å; P29-T32 PolarHBondContact O-OG1 3.03Å; P29-V393 HydrophobicContact CB-CG1 3.95Å
30A96.5Very high97.6Very high90 Ų9039.9 Ų39.974%0.74422%0.221SC*.THydrogen-bonded Turntrans-56.8134.517400000110.9Y28 N394Y28-A30 PolarHBondContact O-N 3Å; A30-N394 PolarHBondContact O-ND2 3.32Å
31G97.3Very high97.6Very high36 Ų3634.4 Ų34.437%0.37120%0.2SC..THydrogen-bonded Turntrans78.818-17500000114.6P29 E33 V393 N394P29-G31 PolarHBondContact O-N 3.44Å; G31-E33 PolarHBondContact O-N 3.45Å; G31-V393 CarbonylContact O-C 3.49Å; G31-V393 WeakPolarHBondContact O-CA 3.39Å; G31-N394 WeakPolarHBondContact CA-OD1 3.46Å; G31-N394 PolarHBondContact O-N 2.72Å
32T98.4Very high97.4Very high7 Ų737.5 Ų37.54%0.04321%0.211CC..EExtended strand (participates in β ladder)trans-62.8129.5166.8-610000109.7P29 I35 Y134 V393P29-T32 WeakPolarHBondContact O-CB 3.25Å; P29-T32 PolarHBondContact O-N 3.39Å; P29-T32 VanDerWaalsContact O-N 3.09Å; P29-T32 PolarHBondContact O-OG1 3.03Å; T32-I35 HydrophobicContact CG2-CD1 3.71Å; T32-I35 HydrophobicContact CG2-CG1 4.04Å; T32-Y134 HydrophobicContact CG2-CD2 3.6Å; T32-Y134 HydrophobicContact CG2-CE2 4.33Å; T32-Y134 HydrophobicContact CG2-CG 3.79Å; T32-Y134 WeakPolarHBondContact O-CD1 3.36Å; T32-Y134 WeakPolarHBondContact O-CE1 3.29Å; T32-V393 HydrophobicContact CG2-CG2 4.38Å
33E98.4Very high97.2Very high58 Ų5837.8 Ų37.827%0.27122%0.215SC..EExtended strand (participates in β ladder)trans-117.3-44.5-176.3-68.7166.880.300111.6G31 N128 P131 Y134 I392 N394 G395G31-E33 PolarHBondContact O-N 3.45Å; E33-N128 PolarHBondContact O-ND2 3.15Å; E33-P131 HydrophobicContact CB-CB 3.9Å; E33-P131 HydrophobicContact CG-CB 4.16Å; E33-P131 VanDerWaalsContact O-CA 3.25Å; E33-P131 WeakPolarHBondContact O-CA 3.44Å; E33-Y134 WeakPolarHBondContact O-CB 3.37Å; E33-I392 HydrophobicContact CB-CG2 4.42Å; E33-I392 PolarHBondContact N-O 2.66Å; E33-N394 PolarHBondContact OE2-N 2.88Å; E33-G395 PolarHBondContact OE2-N 2.78Å
34F98.6Very high97Very high41 Ų4138.4 Ų38.418%0.1823%0.225CC..EExtended strand (participates in β ladder)trans-132.2135.5-177.9-64.4-82.5000111N128 P131 A391 I392F34-N128 WeakPolarHBondContact CA-OD1 3.24Å; F34-N128 WeakPolarHBondContact CD1-ND2 3.49Å; F34-N128 VanDerWaalsContact CD1-O 3.25Å; F34-N128 WeakPolarHBondContact CD1-O 3.29Å; F34-N128 WeakPolarHBondContact CE1-O 3.43Å; F34-P131 HydrophobicContact CE2-CB 4.06Å; F34-P131 HydrophobicContact CZ-CB 4.04Å; F34-P131 HydrophobicContact CZ-CG 4.45Å; F34-A391 CarbonylContact O-C 3.55Å; F34-A391 WeakPolarHBondContact O-CA 3.28Å; F34-A391 WeakPolarHBondContact O-CB 3.45Å; F34-I392 HydrophobicContact CB-CB 4.1Å; F34-I392 HydrophobicContact CB-CD1 4.25Å; F34-I392 HydrophobicContact CB-CG1 4.25Å; F34-I392 HydrophobicContact CD2-CB 4.09Å; F34-I392 HydrophobicContact CD2-CD1 3.83Å; F34-I392 HydrophobicContact CD2-CG1 4.42Å; F34-I392 HydrophobicContact CG-CD1 4.33Å; F34-I392 PolarHBondContact N-O 3.3Å; F34-I392 PolarHBondContact O-N 3.05Å
35I98.5Very high97Very high6 Ų641.4 Ų41.43%0.03124%0.235CC..EExtended strand (participates in β ladder)trans-121.5125.4169.9-61.2-63.8000107.6Y28 T32 E127 N128 Y134 T137 T138 A391Y28-I35 HydrophobicContact CD1-CD1 4.1Å; Y28-I35 HydrophobicContact CE1-CD1 3.76Å; Y28-I35 HydrophobicContact CE1-CG1 4.21Å; T32-I35 HydrophobicContact CG2-CD1 3.71Å; T32-I35 HydrophobicContact CG2-CG1 4.04Å; I35-E127 WeakPolarHBondContact O-CA 3.37Å; I35-N128 PolarHBondContact N-OD1 3.27Å; I35-N128 PolarHBondContact O-OD1 2.72Å; I35-Y134 WeakPolarHBondContact CG1-O 3.33Å; I35-T137 HydrophobicContact CB-CG2 4.48Å; I35-T137 HydrophobicContact CG2-CG2 4.07Å; I35-T137 WeakPolarHBondContact O-CB 3.49Å; I35-T137 WeakPolarHBondContact O-CG2 3.35Å; I35-T137 PolarHBondContact O-OG1 2.9Å; I35-T138 HydrophobicContact CG2-CG2 4.01Å; I35-A391 HydrophobicContact CD1-CB 3.75Å
36Y98.6Very high96.9Very high12 Ų1239.7 Ų39.75%0.04723%0.228CC..EExtended strand (participates in β ladder)trans-113.9125.2176.5174.1-81000109.1T125 V126 E127 S388 S389 F390 L417Y36-T125 HydrophobicContact CE1-CG2 4.44Å; Y36-T125 HydrophobicContact CE2-CG2 4.37Å; Y36-T125 WeakPolarHBondContact OH-CG2 3.37Å; Y36-V126 WeakPolarHBondContact CA-O 3.42Å; Y36-E127 HydrophobicContact CD2-CB 4.03Å; Y36-E127 HydrophobicContact CD2-CG 4.31Å; Y36-S388 WeakPolarHBondContact O-CA 3.46Å; Y36-S389 VanDerWaalsContact CD1-OG 3.29Å; Y36-S389 WeakPolarHBondContact CD1-OG 3.36Å; Y36-S389 WeakPolarHBondContact CE1-OG 3.34Å; Y36-S389 PolarHBondContact O-N 3.19Å; Y36-F390 HydrophobicContact CD1-CB 4.09Å; Y36-F390 HydrophobicContact CG-CB 4.35Å; Y36-F390 PolarHBondContact N-O 2.8Å; Y36-F390 PolarHBondContact O-N 2.99Å; Y36-L417 HydrophobicContact CE1-CG 4.22Å; Y36-L417 PolarHBondContact OH-N 3.06Å; Y36-L417 PolarHBondContact OH-O 2.93Å
37S98.6Very high96.9Very high0 Ų040.4 Ų40.40%023%0.231CC..EExtended strand (participates in β ladder)trans-129.9162.1-177.8-56.60000111.6T125 V126 K387 S388S37-T125 CarbonylContact O-C 3.5Å; S37-T125 VanDerWaalsContact O-CA 3.26Å; S37-T125 WeakPolarHBondContact O-CA 3.12Å; S37-V126 PolarHBondContact N-O 3.14Å; S37-V126 PolarHBondContact O-N 3.32Å; S37-K387 CarbonylContact C-O 3.43Å; S37-K387 WeakPolarHBondContact CA-O 3.43Å; S37-K387 VanDerWaalsContact CB-O 3.31Å; S37-K387 WeakPolarHBondContact CB-O 3.46Å; S37-S388 WeakPolarHBondContact OG-CA 3.11Å; S37-S388 PolarHBondContact OG-OG 3.14Å
38Y98.6Very high96.9Very high0 Ų037 Ų370%022%0.216CC..EExtended strand (participates in β ladder)trans-139.1156.1-176.875.9-87.1000111.3E40 V122 M124 F386 K387 K413 L417Y38-E40 HydrophobicContact CD2-CB 4.36Å; Y38-E40 HydrophobicContact CD2-CG 4.4Å; Y38-E40 HydrophobicContact CE2-CB 4.21Å; Y38-E40 HydrophobicContact CE2-CG 3.79Å; Y38-E40 WeakPolarHBondContact CE2-OE1 3.49Å; Y38-E40 PolarHBondContact OH-OE1 2.9Å; Y38-V122 HydrophobicContact CD2-CG2 4.46Å; Y38-M124 CarbonylContact C-O 3.37Å; Y38-M124 VanDerWaalsContact CA-O 3.24Å; Y38-M124 WeakPolarHBondContact CA-O 3.22Å; Y38-F386 CarbonylContact O-C 3.57Å; Y38-F386 VanDerWaalsContact O-CA 3.25Å; Y38-F386 WeakPolarHBondContact O-CA 3.27Å; Y38-K387 HydrophobicContact CD1-CB 4.32Å; Y38-K387 WeakPolarHBondContact CD1-O 3.25Å; Y38-K387 HydrophobicContact CE1-CB 3.69Å; Y38-K387 PolarHBondContact N-O 3.18Å; Y38-K387 PolarHBondContact O-N 2.92Å; Y38-K413 HydrophobicContact CE1-CB 3.9Å; Y38-K413 HydrophobicContact CE2-CB 4.36Å; Y38-K413 HydrophobicContact CE2-CD 4.08Å; Y38-K413 HydrophobicContact CE2-CG 4.27Å; Y38-K413 PolarHBondContact OH-N 2.88Å; Y38-K413 VanDerWaalsContact OH-N 3.09Å; Y38-L417 HydrophobicContact CD1-CD1 3.75Å; Y38-L417 HydrophobicContact CD2-CD1 3.94Å; Y38-L417 HydrophobicContact CE1-CD1 4.4Å; Y38-L417 HydrophobicContact CG-CD1 3.5Å; Y38-L417 VanDerWaalsContact CG-CD1 3.5Å
39F98.6Very high96.9Very high0 Ų034.4 Ų34.40%021%0.206CC..EExtended strand (participates in β ladder)trans-118.3136.5173.2177.7-92.5000110.1L123 M124 V145 V147 W148 M151 C384 A385 F386F39-L123 HydrophobicContact CD1-CB 4.13Å; F39-L123 HydrophobicContact CD1-CD1 4.05Å; F39-L123 HydrophobicContact CE1-CD1 3.88Å; F39-L123 PolarHBondContact O-N 3.16Å; F39-M124 HydrophobicContact CB-CB 4.22Å; F39-M124 HydrophobicContact CB-CE 3.72Å; F39-M124 HydrophobicContact CG-CE 4.23Å; F39-M124 PolarHBondContact N-O 3.46Å; F39-M124 PolarHBondContact O-N 3.27Å; F39-V145 HydrophobicContact CD2-CG2 4.38Å; F39-V145 HydrophobicContact CE2-CG2 4.46Å; F39-V147 HydrophobicContact CD1-CG1 3.97Å; F39-V147 HydrophobicContact CD2-CG1 4.4Å; F39-V147 HydrophobicContact CE1-CG1 3.48Å; F39-V147 VanDerWaalsContact CE1-CG1 3.48Å; F39-V147 HydrophobicContact CE2-CG1 3.92Å; F39-V147 HydrophobicContact CG-CG1 4.42Å; F39-V147 HydrophobicContact CZ-CG1 3.44Å; F39-V147 VanDerWaalsContact CZ-CG1 3.44Å; F39-W148 HydrophobicContact CZ-CB 4.39Å; F39-M151 HydrophobicContact CE1-CE 4.18Å; F39-M151 HydrophobicContact CE1-SD 4.37Å; F39-M151 HydrophobicContact CZ-CE 4.31Å; F39-C384 HydrophobicContact CE2-CB 3.8Å; F39-C384 HydrophobicContact CZ-CB 3.66Å; F39-A385 VanDerWaalsContact CA-O 3.31Å; F39-A385 WeakPolarHBondContact CA-O 3.42Å; F39-F386 HydrophobicContact CB-CD2 4.06Å; F39-F386 HydrophobicContact CD2-CB 4.46Å
40E97.7Very high97Very high7 Ų730.7 Ų30.73%0.03318%0.183CC..EExtended strand (participates in β ladder)trans-146.6160176.171.2-179.5160.200112Y38 R42 N121 C384 A385 K413Y38-E40 HydrophobicContact CD2-CB 4.36Å; Y38-E40 HydrophobicContact CD2-CG 4.4Å; Y38-E40 HydrophobicContact CE2-CB 4.21Å; Y38-E40 HydrophobicContact CE2-CG 3.79Å; Y38-E40 WeakPolarHBondContact CE2-OE1 3.49Å; Y38-E40 PolarHBondContact OH-OE1 2.9Å; E40-R42 HydrophobicContact CG-CG 3.77Å; E40-R42 WeakPolarHBondContact OE1-CG 3.42Å; E40-N121 VanDerWaalsContact CB-O 3.27Å; E40-N121 WeakPolarHBondContact CB-O 3.37Å; E40-C384 CarbonylContact O-C 3.44Å; E40-C384 WeakPolarHBondContact O-CA 3.37Å; E40-A385 PolarHBondContact N-O 3.44Å; E40-A385 PolarHBondContact O-N 3.21Å; E40-K413 IonicContact OE1-NZ 3.64Å; E40-K413 IonicContact OE2-NZ 3.6Å; E40-K413 PolarHBondContact OE2-NZ 3.3Å
41S96.8Very high97.1Very high1 Ų126.5 Ų26.51%0.00715%0.147CC..EExtended strand (participates in β ladder)trans-84.3129.2153.5161.10000108.6G43 T119 K120 Q382S41-G43 VanDerWaalsContact C-N 3.3Å; S41-G43 PolarHBondContact OG-N 3.04Å; S41-G43 PolarHBondContact OG-O 3.25Å; S41-T119 WeakPolarHBondContact OG-CG2 3.12Å; S41-K120 WeakPolarHBondContact O-CA 3.27Å; S41-K120 PolarHBondContact O-N 3.05Å; S41-Q382 WeakPolarHBondContact CA-O 3.47Å; S41-Q382 VanDerWaalsContact CB-O 3.27Å; S41-Q382 WeakPolarHBondContact CB-O 3.47Å; S41-Q382 PolarHBondContact OG-O 3Å
42R93.5Very high97.2Very high75 Ų7524.8 Ų24.828%0.28313%0.13SC..  trans-90.87.8178.8-64.3-174.2-62.3138.40.3113.7E40 K383 A385E40-R42 HydrophobicContact CG-CG 3.77Å; E40-R42 WeakPolarHBondContact OE1-CG 3.42Å; R42-K383 HydrophobicContact CB-CB 4.24Å; R42-K383 PolarHBondContact N-O 3.27Å; R42-K383 PolarHBondContact NE-O 3.04Å; R42-A385 HydrophobicContact CG-CB 4.19Å
43G92.1Very high97.2Very high9 Ų924.6 Ų24.69%0.09313%0.129CC..  trans123-166.7-166.900000109.5S41 Q382 K383S41-G43 VanDerWaalsContact C-N 3.3Å; S41-G43 PolarHBondContact OG-N 3.04Å; S41-G43 PolarHBondContact OG-O 3.25Å; G43-Q382 CarbonylContact O-C 3.55Å; G43-Q382 VanDerWaalsContact O-CA 3.31Å; G43-Q382 WeakPolarHBondContact O-CA 3.43Å; G43-K383 WeakPolarHBondContact O-CB 3.41Å; G43-K383 PolarHBondContact O-N 2.92Å
44G94.2Very high97.2Very high36 Ų3621.8 Ų21.837%0.37112%0.116SC..  trans141.7-147.8179.700000110.7F46 T381G44-F46 VanDerWaalsContact C-N 3.35Å; G44-T381 WeakPolarHBondContact CA-O 3.4Å
45R95.7Very high97.2Very high102 Ų10220 Ų2039%0.38511%0.108SC..SBendtrans-67.7-34.6-179-178.5175.1178.1146.712.3112.6L345 E346 T381R45-L345 VanDerWaalsContact CZ-CD2 3.44Å; R45-E346 IonicContact CZ-OE1 2.67Å; R45-E346 IonicContact NH1-OE1 2.68Å; R45-E346 PolarHBondContact NH1-OE1 3.2Å; R45-E346 IonicContact NH2-OE1 3.74Å; R45-E346 PolarHBondContact NH2-OE1 3.44Å; R45-E346 IonicContact NH2-OE2 3.23Å; R45-T381 HydrophobicContact CB-CG2 4.05Å; R45-T381 WeakPolarHBondContact CB-O 3.49Å; R45-T381 PolarHBondContact N-O 3.04Å
46F96.4Very high97.2Very high19 Ų1920.1 Ų20.18%0.08311%0.108CC..SBendtrans-117.5143.8-176.1-48.3-80.5000111G44 N48 T119 T155 N156 A159 L345 T381 Q382G44-F46 VanDerWaalsContact C-N 3.35Å; F46-N48 WeakPolarHBondContact CB-O 3.33Å; F46-N48 PolarHBondContact O-N 3.41Å; F46-T119 VanDerWaalsContact O-CG2 3.29Å; F46-T119 WeakPolarHBondContact O-CG2 3.37Å; F46-T155 HydrophobicContact CB-CG2 3.83Å; F46-T155 HydrophobicContact CD1-CG2 4.37Å; F46-T155 HydrophobicContact CD2-CG2 3.57Å; F46-T155 HydrophobicContact CE2-CG2 4.19Å; F46-T155 HydrophobicContact CG-CG2 3.67Å; F46-N156 HydrophobicContact CE2-CB 4.44Å; F46-N156 HydrophobicContact CZ-CB 4.15Å; F46-A159 HydrophobicContact CD1-CB 3.91Å; F46-A159 HydrophobicContact CE1-CB 3.42Å; F46-A159 VanDerWaalsContact CE1-CB 3.42Å; F46-A159 HydrophobicContact CZ-CB 4.29Å; F46-L345 HydrophobicContact CE1-CD2 3.34Å; F46-L345 HydrophobicContact CZ-CD2 3.46Å; F46-L345 VanDerWaalsContact CZ-CD2 3.46Å; F46-T381 HydrophobicContact CE2-CG2 4.15Å; F46-Q382 HydrophobicContact CD2-CG 4.48Å; F46-Q382 PolarHBondContact O-OE1 3.43Å
47P95.9Very high97.2Very high96 Ų9619.8 Ų19.862%0.62311%0.107SC*.SBendtrans-70.7-19.2179.328.6-34.9000113.2T119P47-T119 WeakPolarHBondContact O-CG2 3.44Å; P47-T119 PolarHBondContact O-N 3.45Å; P47-T119 PolarHBondContact O-OG1 3.41Å
48N96.5Very high97.2Very high49 Ų4919.8 Ų19.826%0.26211%0.107SC..EExtended strand (participates in β ladder)trans-129.6161179.2-58.3-71.7000110.5F46 L116 V117 P118 T155 Q382F46-N48 WeakPolarHBondContact CB-O 3.33Å; F46-N48 PolarHBondContact O-N 3.41Å; N48-L116 HydrophobicContact CB-CD1 3.65Å; N48-L116 HydrophobicContact CB-CD2 4.39Å; N48-L116 HydrophobicContact CB-CG 3.85Å; N48-V117 CarbonylContact C-O 3.44Å; N48-V117 VanDerWaalsContact CA-O 3.3Å; N48-V117 WeakPolarHBondContact CA-O 3.27Å; N48-P118 WeakPolarHBondContact OD1-CA 3.25Å; N48-P118 WeakPolarHBondContact OD1-CG 2.99Å; N48-T155 WeakPolarHBondContact O-CG2 3.35Å; N48-Q382 PolarHBondContact O-NE2 2.79Å
49S97.4Very high97.2Very high1 Ų122 Ų221%0.00712%0.117CC..EExtended strand (participates in β ladder)trans-124.8135.8171.5-64.50000110.4F51 V117 T155 Q382S49-F51 PolarHBondContact O-N 2.82Å; S49-V117 PolarHBondContact N-O 3.07Å; S49-V117 PolarHBondContact O-N 3.21Å; S49-T155 WeakPolarHBondContact CA-OG1 3.26Å; S49-Q382 PolarHBondContact OG-NE2 2.87Å
50V98.4Very high97.1Very high0 Ų025.2 Ų25.20%013%0.131CC..EExtended strand (participates in β ladder)trans-83.3103.8167.5-178.10000107.8F52 L116 M151 A154 T155 R158 V204 I465V50-F52 PolarHBondContact O-N 3.07Å; V50-L116 HydrophobicContact CG2-CD1 3.78Å; V50-M151 WeakPolarHBondContact O-CG 3.41Å; V50-A154 HydrophobicContact CB-CB 4.04Å; V50-A154 HydrophobicContact CG1-CB 3.99Å; V50-T155 PolarHBondContact N-OG1 3.34Å; V50-R158 HydrophobicContact CG2-CB 4.09Å; V50-V204 HydrophobicContact CG1-CG1 4.27Å; V50-I465 HydrophobicContact CG1-CD1 3.99Å; V50-I465 HydrophobicContact CG1-CG1 4.19Å; V50-I465 HydrophobicContact CG2-CD1 3.87Å; V50-I465 HydrophobicContact CG2-CG1 4.48Å
51F98.6Very high97.1Very high1 Ų125.8 Ų25.80%0.00413%0.134CC..  trans-70.1119.5-178.2-171.3-112.6000110.8S49 L54 A110 V111 E113 G114 T115 L123 M124 V147 M151S49-F51 PolarHBondContact O-N 2.82Å; F51-L54 HydrophobicContact CE1-CB 4.28Å; F51-L54 HydrophobicContact CE1-CD2 4.16Å; F51-L54 HydrophobicContact CZ-CB 4.05Å; F51-L54 HydrophobicContact CZ-CD2 3.74Å; F51-A110 HydrophobicContact CE1-CB 3.81Å; F51-A110 HydrophobicContact CZ-CB 4.07Å; F51-V111 HydrophobicContact CB-CG2 3.64Å; F51-V111 HydrophobicContact CD1-CG2 3.29Å; F51-V111 VanDerWaalsContact CD1-O 3.28Å; F51-V111 WeakPolarHBondContact CD1-O 3.4Å; F51-V111 HydrophobicContact CD2-CG2 4.28Å; F51-V111 HydrophobicContact CE1-CG2 3.94Å; F51-V111 WeakPolarHBondContact CE1-O 3.15Å; F51-V111 HydrophobicContact CG-CG2 3.47Å; F51-V111 VanDerWaalsContact CG-CG2 3.47Å; F51-E113 HydrophobicContact CD1-CG 4.27Å; F51-E113 HydrophobicContact CE1-CG 4.45Å; F51-E113 CarbonylContact O-C 3.52Å; F51-E113 VanDerWaalsContact O-CA 3.28Å; F51-E113 WeakPolarHBondContact O-CA 3.49Å; F51-G114 PolarHBondContact O-N 3.42Å; F51-T115 PolarHBondContact N-O 3.47Å; F51-L123 HydrophobicContact CB-CD2 4.42Å; F51-L123 HydrophobicContact CD2-CB 3.82Å; F51-L123 HydrophobicContact CD2-CD1 4.1Å; F51-L123 HydrophobicContact CD2-CD2 4.16Å; F51-L123 HydrophobicContact CD2-CG 4.26Å; F51-L123 HydrophobicContact CE2-CB 3.73Å; F51-L123 HydrophobicContact CE2-CD1 4.48Å; F51-L123 HydrophobicContact CG-CD2 4.5Å; F51-L123 HydrophobicContact CZ-CB 4.45Å; F51-M124 HydrophobicContact CZ-CB 4.37Å; F51-V147 HydrophobicContact CE2-CG2 4.1Å; F51-V147 HydrophobicContact CZ-CG2 4.48Å; F51-M151 HydrophobicContact CD2-SD 4.22Å
52F98.8Very high97.2Very high1 Ų125.8 Ų25.80%0.00413%0.134CC..  trans-158.5148.6-176.5178.7-105.7000110.5V50 E113 P150 A154 T200 A201 V204 Y222 L458 I461V50-F52 PolarHBondContact O-N 3.07Å; F52-E113 HydrophobicContact CD2-CB 4.44Å; F52-E113 WeakPolarHBondContact CD2-OE2 3.33Å; F52-E113 WeakPolarHBondContact CE2-OE2 2.99Å; F52-P150 HydrophobicContact CD1-CB 3.78Å; F52-P150 HydrophobicContact CE1-CB 4.26Å; F52-P150 WeakPolarHBondContact O-CG 3.15Å; F52-A154 HydrophobicContact CB-CB 4.28Å; F52-T200 HydrophobicContact CE1-CG2 4.45Å; F52-T200 HydrophobicContact CZ-CG2 3.94Å; F52-A201 HydrophobicContact CD1-CB 3.68Å; F52-A201 VanDerWaalsContact CE1-CA 3.44Å; F52-A201 HydrophobicContact CE1-CB 3.75Å; F52-V204 HydrophobicContact CD1-CG2 4.07Å; F52-V204 HydrophobicContact CD2-CG2 3.67Å; F52-V204 HydrophobicContact CE1-CG2 4.15Å; F52-V204 HydrophobicContact CE2-CG2 3.74Å; F52-V204 HydrophobicContact CG-CG2 3.86Å; F52-V204 HydrophobicContact CZ-CG2 4Å; F52-Y222 HydrophobicContact CE2-CD1 4.31Å; F52-Y222 AromaticContact CE2-CE1 3.71Å; F52-Y222 HydrophobicContact CE2-CE1 3.71Å; F52-Y222 HydrophobicContact CE2-CE2 4.11Å; F52-Y222 AromaticContact CE2-CZ 3.6Å; F52-Y222 HydrophobicContact CZ-CD2 4.35Å; F52-Y222 HydrophobicContact CZ-CE1 4.18Å; F52-Y222 AromaticContact CZ-CE2 3.71Å; F52-Y222 HydrophobicContact CZ-CE2 3.71Å; F52-Y222 AromaticContact CZ-CZ 3.61Å; F52-L458 HydrophobicContact CE2-CD1 4.41Å; F52-I461 HydrophobicContact CD2-CD1 4.1Å; F52-I461 HydrophobicContact CD2-CG2 4.02Å; F52-I461 HydrophobicContact CE2-CD1 3.85Å; F52-I461 HydrophobicContact CE2-CG2 4.34Å
53G98.6Very high97.4Very high2 Ų224.7 Ų24.72%0.02114%0.135CC..  trans102.8-5.4169.500000116.4I57 E113 Y222G53-I57 PolarHBondContact O-N 3.04Å; G53-E113 VanDerWaalsContact N-CD 3.28Å; G53-E113 PolarHBondContact N-OE1 3.22Å; G53-E113 PolarHBondContact N-OE2 2.83Å; G53-Y222 VanDerWaalsContact CA-OH 3.28Å; G53-Y222 WeakPolarHBondContact CA-OH 3.08Å
54L98.8Very high97.7Very high0 Ų025.1 Ų25.10%014%0.14CC..Hα-helixtrans-68.1-43.1-180-179.153.5000111.2F51 Y56 I57 L58 I108 A110 E113 M124 L144 V147 I446F51-L54 HydrophobicContact CE1-CB 4.28Å; F51-L54 HydrophobicContact CE1-CD2 4.16Å; F51-L54 HydrophobicContact CZ-CB 4.05Å; F51-L54 HydrophobicContact CZ-CD2 3.74Å; L54-Y56 PolarHBondContact O-N 3.27Å; L54-I57 WeakPolarHBondContact O-CA 3.13Å; L54-I57 WeakPolarHBondContact O-CB 3.44Å; L54-I57 PolarHBondContact O-N 2.84Å; L54-L58 HydrophobicContact CD1-CD1 4.4Å; L54-L58 HydrophobicContact CD1-CD2 4.03Å; L54-L58 HydrophobicContact CD1-CG 3.99Å; L54-L58 HydrophobicContact CG-CD1 4.06Å; L54-L58 HydrophobicContact CG-CG 4.11Å; L54-L58 WeakPolarHBondContact O-CG 3.24Å; L54-L58 PolarHBondContact O-N 3.46Å; L54-I108 HydrophobicContact CD2-CG2 4.39Å; L54-A110 HydrophobicContact CD2-CB 3.7Å; L54-E113 WeakPolarHBondContact CA-OE1 3.48Å; L54-E113 PolarHBondContact N-OE1 3.18Å; L54-M124 HydrophobicContact CD1-SD 3.6Å; L54-M124 HydrophobicContact CD2-CB 4.31Å; L54-M124 HydrophobicContact CD2-CG 4.03Å; L54-M124 HydrophobicContact CD2-SD 3.41Å; L54-M124 WeakPolarHBondContact CD2-SD 3.27Å; L54-M124 HydrophobicContact CG-SD 4.19Å; L54-L144 HydrophobicContact CD1-CD2 4.2Å; L54-V147 HydrophobicContact CB-CG2 4.06Å; L54-I446 HydrophobicContact CD2-CD1 3.32Å; L54-I446 HydrophobicContact CG-CD1 3.82Å
55Q98.7Very high97.9Very high4 Ų428.9 Ų28.92%0.01915%0.148CC..Hα-helixtrans-53.5-42.9179.1172.7162-65.300112.2L58 K59 E113 Y221 Y222 D455 Y456Q55-L58 PolarHBondContact O-N 3.45Å; Q55-K59 HydrophobicContact CG-CD 4Å; Q55-K59 HydrophobicContact CG-CG 4.37Å; Q55-K59 WeakPolarHBondContact O-CB 3.32Å; Q55-K59 WeakPolarHBondContact O-CG 3.47Å; Q55-K59 PolarHBondContact O-N 2.8Å; Q55-E113 WeakPolarHBondContact CB-OE1 3.29Å; Q55-E113 PolarHBondContact N-OE1 2.74Å; Q55-Y221 PolarHBondContact NE2-O 2.85Å; Q55-Y222 HydrophobicContact CB-CE1 3.97Å; Q55-Y222 HydrophobicContact CG-CE1 4.28Å; Q55-D455 PolarHBondContact NE2-OD1 3.12Å; Q55-D455 PolarHBondContact OE1-OD1 2.98Å; Q55-Y456 PolarHBondContact NE2-O 3.42Å
56Y98.4Very high98Very high8 Ų824.8 Ų24.83%0.03113%0.134CC..Hα-helixtrans-57.3-52.5173.1161.6-112.5000111.8L54 L58 K59 K60 E193 I197 F217 Y221L54-Y56 PolarHBondContact O-N 3.27Å; Y56-L58 PolarHBondContact O-N 3.35Å; Y56-K59 PolarHBondContact O-N 3.29Å; Y56-K60 HydrophobicContact CD2-CB 4.36Å; Y56-K60 HydrophobicContact CE1-CD 4.42Å; Y56-K60 HydrophobicContact CE2-CB 3.95Å; Y56-K60 HydrophobicContact CE2-CD 3.81Å; Y56-K60 HydrophobicContact CE2-CG 4.44Å; Y56-K60 WeakPolarHBondContact O-CB 3.45Å; Y56-K60 PolarHBondContact O-N 3.04Å; Y56-K60 WeakPolarHBondContact OH-CD 3.4Å; Y56-K60 PolarHBondContact OH-NZ 2.82Å; Y56-E193 WeakPolarHBondContact OH-CG 3.16Å; Y56-E193 PolarHBondContact OH-OE1 3.33Å; Y56-I197 HydrophobicContact CD1-CD1 4.29Å; Y56-I197 HydrophobicContact CD1-CG1 4.16Å; Y56-I197 HydrophobicContact CE1-CD1 3.56Å; Y56-I197 HydrophobicContact CE1-CG1 3.75Å; Y56-F217 HydrophobicContact CD1-CE2 4.15Å; Y56-F217 AromaticContact CD1-CZ 3.65Å; Y56-F217 HydrophobicContact CD1-CZ 3.65Å; Y56-F217 HydrophobicContact CD2-CD2 4.45Å; Y56-F217 HydrophobicContact CD2-CE1 4.26Å; Y56-F217 AromaticContact CD2-CE2 3.36Å; Y56-F217 HydrophobicContact CD2-CE2 3.36Å; Y56-F217 AromaticContact CD2-CZ 3.25Å; Y56-F217 HydrophobicContact CD2-CZ 3.25Å; Y56-F217 HydrophobicContact CE1-CE2 4.08Å; Y56-F217 HydrophobicContact CE1-CZ 4.03Å; Y56-F217 HydrophobicContact CE2-CD2 4.31Å; Y56-F217 AromaticContact CE2-CE2 3.27Å; Y56-F217 HydrophobicContact CE2-CE2 3.27Å; Y56-F217 AromaticContact CE2-CZ 3.67Å; Y56-F217 HydrophobicContact CE2-CZ 3.67Å; Y56-F217 HydrophobicContact CG-CE1 4.15Å; Y56-F217 AromaticContact CG-CE2 3.79Å; Y56-F217 HydrophobicContact CG-CE2 3.79Å; Y56-F217 AromaticContact CG-CZ 3.21Å; Y56-F217 HydrophobicContact CG-CZ 3.21Å; Y56-F217 AromaticContact CZ-CE2 3.62Å; Y56-Y221 AromaticContact CD2-CD1 3.79Å; Y56-Y221 HydrophobicContact CD2-CD1 3.79Å; Y56-Y221 AromaticContact CD2-CD2 3.56Å; Y56-Y221 HydrophobicContact CD2-CD2 3.56Å; Y56-Y221 AromaticContact CD2-CE1 3.77Å; Y56-Y221 HydrophobicContact CD2-CE1 3.77Å; Y56-Y221 AromaticContact CD2-CE2 3.51Å; Y56-Y221 HydrophobicContact CD2-CE2 3.51Å; Y56-Y221 AromaticContact CD2-CG 3.7Å; Y56-Y221 HydrophobicContact CD2-CG 3.7Å; Y56-Y221 AromaticContact CD2-CZ 3.62Å; Y56-Y221 AromaticContact CE2-CD2 3.99Å; Y56-Y221 HydrophobicContact CE2-CD2 3.99Å; Y56-Y221 HydrophobicContact CE2-CE1 4.06Å; Y56-Y221 AromaticContact CE2-CE2 3.46Å; Y56-Y221 HydrophobicContact CE2-CE2 3.46Å; Y56-Y221 VanDerWaalsContact CE2-CE2 3.46Å; Y56-Y221 HydrophobicContact CE2-CG 4.48Å; Y56-Y221 AromaticContact CE2-CZ 3.5Å
57I98.4Very high98.1Very high4 Ų423.9 Ų23.92%0.02113%0.13CC..Hα-helixtrans-57.9-41.7-178-66.9169.1000110.3G53 L54 N61 I143 L144 Q146 V147G53-I57 PolarHBondContact O-N 3.04Å; L54-I57 WeakPolarHBondContact O-CA 3.13Å; L54-I57 WeakPolarHBondContact O-CB 3.44Å; L54-I57 PolarHBondContact O-N 2.84Å; I57-N61 WeakPolarHBondContact O-CB 3.25Å; I57-N61 PolarHBondContact O-N 3.41Å; I57-N61 PolarHBondContact O-ND2 3.04Å; I57-I143 HydrophobicContact CG2-CG2 3.57Å; I57-L144 HydrophobicContact CG2-CD2 4.25Å; I57-Q146 HydrophobicContact CD1-CB 4.18Å; I57-V147 HydrophobicContact CD1-CB 3.76Å; I57-V147 HydrophobicContact CD1-CG2 4.44Å; I57-V147 VanDerWaalsContact CD1-N 3.26Å
58L98.7Very high98.2Very high0 Ų020.8 Ų20.80%011%0.11CC..Hα-helixtrans-66.3-53.3177.7-60-177.1000111.8L54 Q55 Y56 K60 N61 L62 V63 I108 L144 I446 L452L54-L58 HydrophobicContact CD1-CD1 4.4Å; L54-L58 HydrophobicContact CD1-CD2 4.03Å; L54-L58 HydrophobicContact CD1-CG 3.99Å; L54-L58 HydrophobicContact CG-CD1 4.06Å; L54-L58 HydrophobicContact CG-CG 4.11Å; L54-L58 WeakPolarHBondContact O-CG 3.24Å; L54-L58 PolarHBondContact O-N 3.46Å; Q55-L58 PolarHBondContact O-N 3.45Å; Y56-L58 PolarHBondContact O-N 3.35Å; L58-K60 VanDerWaalsContact C-N 3.28Å; L58-K60 PolarHBondContact O-N 3.06Å; L58-N61 PolarHBondContact O-N 2.89Å; L58-L62 HydrophobicContact CD2-CB 4.46Å; L58-L62 HydrophobicContact CD2-CD2 3.66Å; L58-L62 PolarHBondContact O-N 2.7Å; L58-V63 WeakPolarHBondContact O-CG2 3.39Å; L58-V63 PolarHBondContact O-N 2.7Å; L58-I108 HydrophobicContact CD2-CD1 3.54Å; L58-L144 HydrophobicContact CD2-CD2 4.12Å; L58-I446 HydrophobicContact CD1-CD1 3.45Å; L58-I446 VanDerWaalsContact CD1-CD1 3.45Å; L58-I446 HydrophobicContact CD1-CG1 4.03Å; L58-L452 HydrophobicContact CB-CD1 4.29Å; L58-L452 HydrophobicContact CD1-CD1 4.15Å
59K98.3Very high98.2Very high46 Ų4621.8 Ų21.820%0.211%0.113CC..Hα-helixtrans-59.2-38.3-179.9-78.1-177.6170.1-178.90112.5Q55 Y56 Y221 L452 D455Q55-K59 HydrophobicContact CG-CD 4Å; Q55-K59 HydrophobicContact CG-CG 4.37Å; Q55-K59 WeakPolarHBondContact O-CB 3.32Å; Q55-K59 WeakPolarHBondContact O-CG 3.47Å; Q55-K59 PolarHBondContact O-N 2.8Å; Y56-K59 PolarHBondContact O-N 3.29Å; K59-Y221 HydrophobicContact CB-CD1 3.86Å; K59-Y221 HydrophobicContact CB-CE1 4.09Å; K59-Y221 HydrophobicContact CD-CD1 4.04Å; K59-Y221 PolarHBondContact NZ-O 2.83Å; K59-L452 HydrophobicContact CD-CD2 4.27Å; K59-L452 HydrophobicContact CG-CD2 3.95Å; K59-D455 WeakPolarHBondContact CE-OD1 3.4Å; K59-D455 WeakPolarHBondContact CE-OD2 3.23Å; K59-D455 IonicContact NZ-OD1 3Å; K59-D455 PolarHBondContact NZ-OD1 3.18Å; K59-D455 IonicContact NZ-OD2 3.9Å; K59-D455 PolarHBondContact NZ-OD2 3.34Å
60K97.1Very high98.2Very high68 Ų6827.2 Ų27.230%0.29614%0.138SC..Hα-helixtrans-74.3-43-179.3177176.2165.9179.20112.4Y56 L58 E193 Y221Y56-K60 HydrophobicContact CD2-CB 4.36Å; Y56-K60 HydrophobicContact CE1-CD 4.42Å; Y56-K60 HydrophobicContact CE2-CB 3.95Å; Y56-K60 HydrophobicContact CE2-CD 3.81Å; Y56-K60 HydrophobicContact CE2-CG 4.44Å; Y56-K60 WeakPolarHBondContact O-CB 3.45Å; Y56-K60 PolarHBondContact O-N 3.04Å; Y56-K60 WeakPolarHBondContact OH-CD 3.4Å; Y56-K60 PolarHBondContact OH-NZ 2.82Å; L58-K60 VanDerWaalsContact C-N 3.28Å; L58-K60 PolarHBondContact O-N 3.06Å; K60-E193 IonicContact NZ-OE1 3.69Å; K60-E193 PolarHBondContact NZ-OE1 2.9Å; K60-E193 IonicContact NZ-OE2 3.55Å; K60-E193 PolarHBondContact NZ-OE2 2.8Å; K60-Y221 HydrophobicContact CB-CE1 4.48Å
61N97.4Very high98.2Very high20 Ų2028.2 Ų28.211%0.10714%0.142CC..Hα-helixtrans-117.5-22.1-162.6-53.1-77000114.8I13 I57 L58 I143I13-N61 VanDerWaalsContact CD1-O 3.29Å; I13-N61 WeakPolarHBondContact CD1-O 3.34Å; I57-N61 WeakPolarHBondContact O-CB 3.25Å; I57-N61 PolarHBondContact O-N 3.41Å; I57-N61 PolarHBondContact O-ND2 3.04Å; L58-N61 PolarHBondContact O-N 2.89Å; N61-I143 HydrophobicContact CB-CG2 4.07Å
62L98.4Very high98.1Very high0 Ų028.2 Ų28.20%014%0.142CC..THydrogen-bonded Turntrans-120.9-24.3-168.3-8367.3000113.9I13 L58 L104 I106 I108 L140 I143 L144 Y447I13-L62 HydrophobicContact CD1-CD1 4.38Å; L58-L62 HydrophobicContact CD2-CB 4.46Å; L58-L62 HydrophobicContact CD2-CD2 3.66Å; L58-L62 PolarHBondContact O-N 2.7Å; L62-L104 HydrophobicContact CB-CD1 4.41Å; L62-L104 HydrophobicContact CG-CD1 3.91Å; L62-I106 HydrophobicContact CD2-CD1 3.74Å; L62-I108 HydrophobicContact CD2-CD1 3.83Å; L62-L140 HydrophobicContact CD2-CD1 4.47Å; L62-I143 HydrophobicContact CD1-CG2 4.26Å; L62-L144 HydrophobicContact CD2-CD2 4.14Å; L62-Y447 HydrophobicContact CB-CE2 3.76Å; L62-Y447 VanDerWaalsContact O-CE2 3.29Å; L62-Y447 WeakPolarHBondContact O-CE2 3.18Å; L62-Y447 PolarHBondContact O-OH 3.06Å
63V98.5Very high98.1Very high52 Ų5231.8 Ų31.832%0.31516%0.161SC..SBendtrans-78.9134.6-178.41720000110.6L58 Y447 G450 L452L58-V63 WeakPolarHBondContact O-CG2 3.39Å; L58-V63 PolarHBondContact O-N 2.7Å; V63-Y447 HydrophobicContact CG2-CD2 4.06Å; V63-Y447 HydrophobicContact CG2-CE2 4.04Å; V63-G450 WeakPolarHBondContact CA-O 3.29Å; V63-L452 HydrophobicContact CG2-CB 3.93Å
64G98.2Very high98Very high19 Ų1932.3 Ų32.320%0.19616%0.163CC..SBendtrans87.3-166.4-179.300000114.2V66 G450G64-V66 PolarHBondContact O-N 3.39Å; G64-G450 PolarHBondContact N-O 3.21Å
65Q98Very high97.9Very high115 Ų11532.3 Ų32.354%0.53716%0.163SC..  trans-77.596.7174.1178.4176.265.200109.6T68 E101 Y103Q65-T68 HydrophobicContact CG-CG2 4.35Å; Q65-E101 VanDerWaalsContact CG-O 3.3Å; Q65-E101 WeakPolarHBondContact CG-O 3.49Å; Q65-E101 PolarHBondContact NE2-O 2.86Å; Q65-Y103 HydrophobicContact CB-CD2 4.28Å; Q65-Y103 HydrophobicContact CB-CE2 3.8Å
66V97.8Very high97.8Very high15 Ų1534.9 Ų34.99%0.09118%0.175CC..  trans-102.9-12.6-176.3-61.50000113.1I13 G64 K71 G102 L104I13-V66 HydrophobicContact CD1-CG2 4.17Å; I13-V66 HydrophobicContact CG2-CB 4.43Å; I13-V66 HydrophobicContact CG2-CG2 4.29Å; G64-V66 PolarHBondContact O-N 3.39Å; V66-K71 VanDerWaalsContact O-CD 3.29Å; V66-K71 WeakPolarHBondContact O-CD 3.35Å; V66-K71 PolarHBondContact O-NZ 2.89Å; V66-G102 PolarHBondContact N-O 3.31Å; V66-G102 VanDerWaalsContact N-O 3.08Å; V66-L104 HydrophobicContact CG2-CD1 3.8Å; V66-L104 HydrophobicContact CG2-CD2 4Å; V66-L104 HydrophobicContact CG2-CG 3.6Å
67V98.3Very high97.7Very high1 Ų138.5 Ų38.51%0.00620%0.201CC..  trans-113126.4175.4-179.40000109.6I13 I14 I72 W93 I96 A97 G102 L104I13-V67 HydrophobicContact CG2-CG2 4.11Å; I14-V67 HydrophobicContact CD1-CG1 4.39Å; V67-I72 HydrophobicContact CG1-CD1 3.93Å; V67-I72 HydrophobicContact CG1-CG1 4.14Å; V67-W93 HydrophobicContact CG1-CE3 4.09Å; V67-W93 HydrophobicContact CG2-CE3 3.86Å; V67-W93 HydrophobicContact CG2-CZ3 3.7Å; V67-I96 HydrophobicContact CB-CG2 4.27Å; V67-I96 HydrophobicContact CG1-CG2 4.49Å; V67-I96 HydrophobicContact CG2-CG2 4.16Å; V67-A97 HydrophobicContact CG1-CB 4.28Å; V67-G102 PolarHBondContact N-O 3.43Å; V67-G102 VanDerWaalsContact N-O 3.14Å; V67-G102 WeakPolarHBondContact O-CA 3.36Å; V67-L104 HydrophobicContact CG2-CD2 3.74Å
68T98Very high97.6Very high30 Ų3041.5 Ų41.518%0.18422%0.216CC..  trans-132.2164.9174.477.50000110.3Q65 E70 K71 I72Q65-T68 HydrophobicContact CG-CG2 4.35Å; T68-E70 VanDerWaalsContact C-N 3.27Å; T68-E70 WeakPolarHBondContact CB-OE2 3.2Å; T68-E70 PolarHBondContact O-N 3.11Å; T68-E70 PolarHBondContact OG1-OE2 3Å; T68-K71 PolarHBondContact O-N 2.87Å; T68-K71 PolarHBondContact OG1-N 2.93Å; T68-I72 VanDerWaalsContact O-CG1 3.25Å; T68-I72 WeakPolarHBondContact O-CG1 3.19Å; T68-I72 PolarHBondContact O-N 2.74Å
69H98.3Very high97.5Very high70 Ų7042 Ų4232%0.32422%0.219SC..Hα-helixtrans-61.8-36.8177.3-74.9-51.2000112.6K71 I72 D73 R94 N98H69-K71 PolarHBondContact O-N 3.33Å; H69-I72 WeakPolarHBondContact O-CB 3.23Å; H69-I72 PolarHBondContact O-N 2.68Å; H69-I72 VanDerWaalsContact O-N 3.14Å; H69-D73 VanDerWaalsContact O-CG 3.28Å; H69-D73 PolarHBondContact O-N 2.85Å; H69-R94 PolarHBondContact ND1-NH1 3.39Å; H69-N98 PolarHBondContact CE1-OD1 3.43Å; H69-N98 PolarHBondContact NE2-OD1 2.76Å
70E96.6Very high97.5Very high116 Ų11643.6 Ų43.654%0.54223%0.229SC..Hα-helixtrans-62.4-44.5177-55.973-157.800110.6T68 I72 D73 E74T68-E70 VanDerWaalsContact C-N 3.27Å; T68-E70 WeakPolarHBondContact CB-OE2 3.2Å; T68-E70 PolarHBondContact O-N 3.11Å; T68-E70 PolarHBondContact OG1-OE2 3Å; E70-I72 VanDerWaalsContact C-N 3.29Å; E70-I72 PolarHBondContact O-N 3.31Å; E70-D73 PolarHBondContact O-N 2.87Å; E70-E74 WeakPolarHBondContact O-CB 3.49Å; E70-E74 PolarHBondContact O-N 2.86Å
71K97.5Very high97.4Very high21 Ų2145.3 Ų45.39%0.09125%0.25CC..Hα-helixtrans-61.9-36.9174.6-73.3-176.9178-169.80112D11 N12 I14 V66 T68 H69 A75D11-K71 VanDerWaalsContact CG-NZ 3.31Å; D11-K71 PolarHBondContact O-NZ 2.81Å; D11-K71 IonicContact OD1-NZ 3.96Å; D11-K71 WeakPolarHBondContact OD2-CE 3.42Å; D11-K71 IonicContact OD2-NZ 3.64Å; D11-K71 PolarHBondContact OD2-NZ 2.94Å; N12-K71 HydrophobicContact CB-CG 4.37Å; N12-K71 WeakPolarHBondContact ND2-CA 3.26Å; N12-K71 PolarHBondContact ND2-O 2.93Å; I14-K71 HydrophobicContact CD1-CB 4.42Å; V66-K71 VanDerWaalsContact O-CD 3.29Å; V66-K71 WeakPolarHBondContact O-CD 3.35Å; V66-K71 PolarHBondContact O-NZ 2.89Å; T68-K71 PolarHBondContact O-N 2.87Å; T68-K71 PolarHBondContact OG1-N 2.93Å; H69-K71 PolarHBondContact O-N 3.33Å; K71-A75 WeakPolarHBondContact O-CB 3.34Å; K71-A75 PolarHBondContact O-N 3.5Å
72I98.3Very high97.4Very high0 Ų049.8 Ų49.80%027%0.27CS..Hα-helixtrans-68.4-45.3178-66.3165000110.9I14 V67 T68 H69 E70 A75 K76 F88 E90 W93 R94 A97I14-I72 HydrophobicContact CD1-CB 4.32Å; I14-I72 HydrophobicContact CD1-CG1 3.58Å; V67-I72 HydrophobicContact CG1-CD1 3.93Å; V67-I72 HydrophobicContact CG1-CG1 4.14Å; T68-I72 VanDerWaalsContact O-CG1 3.25Å; T68-I72 WeakPolarHBondContact O-CG1 3.19Å; T68-I72 PolarHBondContact O-N 2.74Å; H69-I72 WeakPolarHBondContact O-CB 3.23Å; H69-I72 PolarHBondContact O-N 2.68Å; H69-I72 VanDerWaalsContact O-N 3.14Å; E70-I72 VanDerWaalsContact C-N 3.29Å; E70-I72 PolarHBondContact O-N 3.31Å; I72-A75 PolarHBondContact O-N 2.78Å; I72-K76 WeakPolarHBondContact O-CB 3.14Å; I72-K76 PolarHBondContact O-N 2.62Å; I72-F88 HydrophobicContact CG2-CE1 4.02Å; I72-F88 HydrophobicContact CG2-CZ 4.37Å; I72-E90 HydrophobicContact CG2-CG 4.16Å; I72-W93 HydrophobicContact CD1-CB 3.96Å; I72-W93 WeakPolarHBondContact CD1-O 3.42Å; I72-W93 HydrophobicContact CG1-CB 3.88Å; I72-R94 HydrophobicContact CD1-CG 4.06Å; I72-R94 HydrophobicContact CG2-CG 4.1Å; I72-A97 HydrophobicContact CD1-CB 3.87Å
73D97.4Very high97.4Very high76 Ų7652.5 Ų52.541%0.40628%0.281SS..Hα-helixtrans-66-42.6-179.7-67.2-21.4000111.2H69 E70 K76 S77 R94H69-D73 VanDerWaalsContact O-CG 3.28Å; H69-D73 PolarHBondContact O-N 2.85Å; E70-D73 PolarHBondContact O-N 2.87Å; D73-K76 PolarHBondContact O-N 3.26Å; D73-S77 PolarHBondContact O-N 3.33Å; D73-R94 IonicContact OD1-CZ 2.69Å; D73-R94 IonicContact OD1-NH1 2.8Å; D73-R94 IonicContact OD1-NH2 2.7Å; D73-R94 PolarHBondContact OD1-NH2 3.48Å
74E96.3Very high97.3Very high13 Ų1353.2 Ų53.26%0.06130%0.299CS..Hα-helixtrans-59.4-49.1172-179.4-178.9-121.700111.3L5 Q6 S7 N12 E70 K76 S77 I78L5-E74 WeakPolarHBondContact CA-OE1 3.48Å; Q6-E74 PolarHBondContact N-OE1 2.84Å; S7-E74 WeakPolarHBondContact CB-OE2 3.48Å; S7-E74 PolarHBondContact N-OE1 3.31Å; S7-E74 VanDerWaalsContact N-OE1 3.1Å; S7-E74 PolarHBondContact OG-OE1 3.19Å; S7-E74 PolarHBondContact OG-OE2 2.8Å; N12-E74 PolarHBondContact ND2-OE2 3.5Å; E70-E74 WeakPolarHBondContact O-CB 3.49Å; E70-E74 PolarHBondContact O-N 2.86Å; E74-K76 PolarHBondContact O-N 3.07Å; E74-S77 WeakPolarHBondContact O-CB 3.36Å; E74-S77 PolarHBondContact O-N 3.45Å; E74-I78 HydrophobicContact CG-CD1 4.05Å; E74-I78 PolarHBondContact O-N 3.03Å
75A97.1Very high97.1Very high0 Ų060.5 Ų60.50%032%0.321CS..Hα-helixtrans-62.1-43.5179.800000111.8I14 L15 K71 I72 S77 I78 L79 F88I14-A75 HydrophobicContact CB-CB 3.93Å; I14-A75 HydrophobicContact CD1-CB 4.33Å; I14-A75 HydrophobicContact CG2-CB 3.52Å; L15-A75 HydrophobicContact CD1-CB 4.38Å; L15-A75 HydrophobicContact CD2-CB 3.98Å; L15-A75 HydrophobicContact CG-CB 3.96Å; K71-A75 WeakPolarHBondContact O-CB 3.34Å; K71-A75 PolarHBondContact O-N 3.5Å; I72-A75 PolarHBondContact O-N 2.78Å; A75-S77 VanDerWaalsContact C-N 3.33Å; A75-S77 PolarHBondContact O-N 3.41Å; A75-I78 PolarHBondContact O-N 2.96Å; A75-L79 HydrophobicContact CB-CD1 4.39Å; A75-L79 VanDerWaalsContact O-CB 3.22Å; A75-L79 WeakPolarHBondContact O-CB 3.5Å; A75-L79 WeakPolarHBondContact O-CG 3.25Å; A75-L79 PolarHBondContact O-N 3.14Å; A75-F88 HydrophobicContact CB-CE2 4.46Å; A75-F88 HydrophobicContact CB-CZ 4.07Å
76K97.2Very high97.1Very high59 Ų5959.3 Ų59.326%0.25732%0.318SS..Hα-helixtrans-57.4-47.1175.9179.8171.5-179.8171.80111.4I72 D73 E74 L80 F88 E90I72-K76 WeakPolarHBondContact O-CB 3.14Å; I72-K76 PolarHBondContact O-N 2.62Å; D73-K76 PolarHBondContact O-N 3.26Å; E74-K76 PolarHBondContact O-N 3.07Å; K76-L80 WeakPolarHBondContact O-CB 3.29Å; K76-L80 PolarHBondContact O-N 3.14Å; K76-F88 HydrophobicContact CB-CD1 3.77Å; K76-F88 HydrophobicContact CB-CE1 3.92Å; K76-F88 HydrophobicContact CG-CD1 4.19Å; K76-E90 WeakPolarHBondContact CD-OE2 3.43Å; K76-E90 WeakPolarHBondContact CE-OE2 3.44Å; K76-E90 IonicContact NZ-OE1 2.64Å; K76-E90 IonicContact NZ-OE2 3.07Å; K76-E90 PolarHBondContact NZ-OE2 2.96Å
77S96.1Very high97Very high83 Ų8360.7 Ų60.758%0.5833%0.325SS*.Hα-helixtrans-59-49.7178.8-177.30000112D73 E74 A75 S81D73-S77 PolarHBondContact O-N 3.33Å; E74-S77 WeakPolarHBondContact O-CB 3.36Å; E74-S77 PolarHBondContact O-N 3.45Å; A75-S77 VanDerWaalsContact C-N 3.33Å; A75-S77 PolarHBondContact O-N 3.41Å; S77-S81 PolarHBondContact O-N 2.71Å
78I95.7Very high97Very high67 Ų6761.2 Ų61.234%0.34433%0.327SS..Hα-helixtrans-66.1-45.3-179.2-68175.4000111.2L5 L15 E74 A75 S81 H82L5-I78 HydrophobicContact CD2-CD1 3.79Å; L15-I78 HydrophobicContact CD1-CD1 3.69Å; L15-I78 HydrophobicContact CD2-CB 4.35Å; L15-I78 HydrophobicContact CD2-CG2 4.2Å; E74-I78 HydrophobicContact CG-CD1 4.05Å; E74-I78 PolarHBondContact O-N 3.03Å; A75-I78 PolarHBondContact O-N 2.96Å; I78-S81 PolarHBondContact O-N 2.65Å; I78-H82 WeakPolarHBondContact O-CB 3.22Å; I78-H82 PolarHBondContact O-N 3.27Å
79L97.4Very high97Very high12 Ų1260.5 Ų60.56%0.06332%0.322CS..Hα-helixtrans-70.5-37-176.3-66.1173.1000112.2L15 V22 A75 S81 H82 F83 F88L15-L79 HydrophobicContact CD2-CD1 4.31Å; L15-L79 HydrophobicContact CD2-CD2 4.07Å; L15-L79 HydrophobicContact CD2-CG 3.96Å; V22-L79 HydrophobicContact CG1-CD1 3.99Å; V22-L79 HydrophobicContact CG2-CD1 4.07Å; V22-L79 HydrophobicContact CG2-CD2 3.87Å; A75-L79 HydrophobicContact CB-CD1 4.39Å; A75-L79 VanDerWaalsContact O-CB 3.22Å; A75-L79 WeakPolarHBondContact O-CB 3.5Å; A75-L79 WeakPolarHBondContact O-CG 3.25Å; A75-L79 PolarHBondContact O-N 3.14Å; L79-S81 VanDerWaalsContact C-N 3.3Å; L79-S81 PolarHBondContact O-N 3.2Å; L79-H82 PolarHBondContact O-N 3.22Å; L79-F83 HydrophobicContact CB-CD2 4.38Å; L79-F83 HydrophobicContact CD2-CE2 4.05Å; L79-F83 VanDerWaalsContact O-CD2 3.26Å; L79-F83 WeakPolarHBondContact O-CD2 3.44Å; L79-F83 PolarHBondContact O-N 3.16Å; L79-F88 HydrophobicContact CD1-CB 4.32Å; L79-F88 HydrophobicContact CD1-CD2 3.36Å; L79-F88 HydrophobicContact CD1-CE2 3.76Å; L79-F88 HydrophobicContact CD1-CG 3.92Å
80L97Very high97Very high78 Ų7859.3 Ų59.341%0.40832%0.317SS..Hα-helixtrans-59.2-44.1172.7178.961.1000111.1K76 G84 D86K76-L80 WeakPolarHBondContact O-CB 3.29Å; K76-L80 PolarHBondContact O-N 3.14Å; L80-G84 WeakPolarHBondContact O-CA 3.38Å; L80-G84 PolarHBondContact O-N 3.45Å; L80-D86 HydrophobicContact CD1-CB 4.11Å
81S96.3Very high97.1Very high104 Ų10461.5 Ų61.573%0.72733%0.327SS*.Hα-helixtrans-65.5-45175.2-173.70000112.1S77 I78 L79 F83S77-S81 PolarHBondContact O-N 2.71Å; I78-S81 PolarHBondContact O-N 2.65Å; L79-S81 VanDerWaalsContact C-N 3.3Å; L79-S81 PolarHBondContact O-N 3.2Å; S81-F83 PolarHBondContact O-N 3.41Å
82H97.2Very high97.1Very high115 Ų11561 Ų6153%0.53233%0.328SS..Hα-helixtrans-62.5-38.7-178.6-176.660.1000113.1S19 I78 L79S19-H82 WeakPolarHBondContact CB-NE2 3.49Å; S19-H82 PolarHBondContact OG-NE2 3.5Å; I78-H82 WeakPolarHBondContact O-CB 3.22Å; I78-H82 PolarHBondContact O-N 3.27Å; L79-H82 PolarHBondContact O-N 3.22Å
83F97.5Very high97.2Very high56 Ų5661 Ų6125%0.24633%0.328CS..Hα-helixtrans-97.6-16.4-177.5-70-65.7000114.6S19 V22 L79 S81 R85 I87S19-F83 WeakPolarHBondContact O-CZ 3.42Å; V22-F83 HydrophobicContact CB-CE2 3.96Å; V22-F83 HydrophobicContact CB-CZ 4.24Å; V22-F83 HydrophobicContact CG1-CE2 3.91Å; V22-F83 HydrophobicContact CG2-CE2 4.2Å; L79-F83 HydrophobicContact CB-CD2 4.38Å; L79-F83 HydrophobicContact CD2-CE2 4.05Å; L79-F83 VanDerWaalsContact O-CD2 3.26Å; L79-F83 WeakPolarHBondContact O-CD2 3.44Å; L79-F83 PolarHBondContact O-N 3.16Å; S81-F83 PolarHBondContact O-N 3.41Å; F83-R85 HydrophobicContact CB-CG 4.14Å; F83-R85 PolarHBondContact O-N 3.14Å; F83-I87 HydrophobicContact CB-CD1 4.26Å; F83-I87 HydrophobicContact CB-CG1 4.16Å; F83-I87 HydrophobicContact CD1-CD1 3.77Å; F83-I87 HydrophobicContact CD2-CD1 3.66Å; F83-I87 HydrophobicContact CD2-CG1 3.77Å; F83-I87 HydrophobicContact CE1-CD1 3.93Å; F83-I87 HydrophobicContact CE2-CD1 3.82Å; F83-I87 HydrophobicContact CE2-CG1 4.27Å; F83-I87 HydrophobicContact CG-CD1 3.63Å; F83-I87 HydrophobicContact CG-CG1 3.92Å; F83-I87 HydrophobicContact CZ-CD1 3.95Å
84G96.4Very high97.2Very high67 Ų6760.5 Ų60.569%0.69132%0.32SS*.SBendtrans63.314.9-172.200000113.8L80L80-G84 WeakPolarHBondContact O-CA 3.38Å; L80-G84 PolarHBondContact O-N 3.45Å
85R95.6Very high97.3Very high173 Ų17361.8 Ų61.865%0.65333%0.325SS*.SBendtrans-157.9150.317962.6-178.777.1-173.72.6109.8F83 I87F83-R85 HydrophobicContact CB-CG 4.14Å; F83-R85 PolarHBondContact O-N 3.14Å; R85-I87 HydrophobicContact CG-CG2 3.83Å; R85-I87 PolarHBondContact O-N 3.1Å
86D96.3Very high97.4Very high90 Ų9061.8 Ų61.848%0.48133%0.325SS..  trans-82100178.4-161.1-6.7000110.3L80L80-D86 HydrophobicContact CD1-CB 4.11Å
87I96.6Very high97.5Very high44 Ų4459.7 Ų59.723%0.22632%0.318CS..  trans-124.211.6175.656.5154.4000111.6Y25 F83 R85Y25-I87 WeakPolarHBondContact CE1-O 3.49Å; Y25-I87 PolarHBondContact OH-O 3.26Å; F83-I87 HydrophobicContact CB-CD1 4.26Å; F83-I87 HydrophobicContact CB-CG1 4.16Å; F83-I87 HydrophobicContact CD1-CD1 3.77Å; F83-I87 HydrophobicContact CD2-CD1 3.66Å; F83-I87 HydrophobicContact CD2-CG1 3.77Å; F83-I87 HydrophobicContact CE1-CD1 3.93Å; F83-I87 HydrophobicContact CE2-CD1 3.82Å; F83-I87 HydrophobicContact CE2-CG1 4.27Å; F83-I87 HydrophobicContact CG-CD1 3.63Å; F83-I87 HydrophobicContact CG-CG1 3.92Å; F83-I87 HydrophobicContact CZ-CD1 3.95Å; R85-I87 HydrophobicContact CG-CG2 3.83Å; R85-I87 PolarHBondContact O-N 3.1Å
88F97.9Very high97.6Very high11 Ų1160.2 Ų60.25%0.04831%0.314CS..  trans-79.1135.5-177.5172.8-128.2000109.8I14 V22 I72 A75 K76 L79 E90 W93I14-F88 HydrophobicContact CG2-CE2 3.51Å; I14-F88 HydrophobicContact CG2-CZ 3.8Å; V22-F88 HydrophobicContact CG1-CB 4.46Å; V22-F88 HydrophobicContact CG1-CD2 4.25Å; I72-F88 HydrophobicContact CG2-CE1 4.02Å; I72-F88 HydrophobicContact CG2-CZ 4.37Å; A75-F88 HydrophobicContact CB-CE2 4.46Å; A75-F88 HydrophobicContact CB-CZ 4.07Å; K76-F88 HydrophobicContact CB-CD1 3.77Å; K76-F88 HydrophobicContact CB-CE1 3.92Å; K76-F88 HydrophobicContact CG-CD1 4.19Å; L79-F88 HydrophobicContact CD1-CB 4.32Å; L79-F88 HydrophobicContact CD1-CD2 3.36Å; L79-F88 HydrophobicContact CD1-CE2 3.76Å; L79-F88 HydrophobicContact CD1-CG 3.92Å; F88-E90 HydrophobicContact CD1-CB 3.8Å; F88-E90 HydrophobicContact CE1-CB 3.95Å; F88-E90 HydrophobicContact CE1-CG 4.41Å; F88-E90 PolarHBondContact O-N 2.62Å; F88-W93 AromaticContact CE2-CD1 3.16Å; F88-W93 HydrophobicContact CE2-CG 4.21Å; F88-W93 AromaticContact CE2-NE1 3.39Å; F88-W93 HydrophobicContact CZ-CB 4.37Å; F88-W93 AromaticContact CZ-CD1 3.31Å; F88-W93 HydrophobicContact CZ-CG 4.01Å; F88-W93 AromaticContact CZ-NE1 3.96Å
89N98.1Very high97.7Very high16 Ų1662.5 Ų62.59%0.08632%0.323CS..  trans-75.557.8175.4-167.18.5000112.4Y25 E91 G92 W93 W135Y25-N89 HydrophobicContact CD1-CB 3.6Å; Y25-N89 HydrophobicContact CD2-CB 3.92Å; Y25-N89 VanDerWaalsContact CD2-CG 3.49Å; Y25-N89 HydrophobicContact CE1-CB 3.69Å; Y25-N89 HydrophobicContact CE2-CB 3.99Å; Y25-N89 HydrophobicContact CG-CB 3.72Å; N89-E91 VanDerWaalsContact C-N 3.28Å; N89-E91 PolarHBondContact O-N 3Å; N89-G92 PolarHBondContact O-N 3.29Å; N89-G92 WeakPolarHBondContact OD1-CA 3.39Å; N89-G92 PolarHBondContact OD1-N 3.33Å; N89-W93 PolarHBondContact O-N 3.31Å; N89-W93 VanDerWaalsContact O-N 3.07Å; N89-W135 PolarHBondContact ND2-NE1 3.02Å; N89-W135 VanDerWaalsContact ND2-NE1 3.14Å
90E98.4Very high97.8Very high44 Ų4464 Ų6421%0.20633%0.33CS..Hα-helixtrans-55.9-44.5-178.7-179.3-177.5-176.800111.5I72 K76 F88 G92 W93 R94I72-E90 HydrophobicContact CG2-CG 4.16Å; K76-E90 WeakPolarHBondContact CD-OE2 3.43Å; K76-E90 WeakPolarHBondContact CE-OE2 3.44Å; K76-E90 IonicContact NZ-OE1 2.64Å; K76-E90 IonicContact NZ-OE2 3.07Å; K76-E90 PolarHBondContact NZ-OE2 2.96Å; F88-E90 HydrophobicContact CD1-CB 3.8Å; F88-E90 HydrophobicContact CE1-CB 3.95Å; F88-E90 HydrophobicContact CE1-CG 4.41Å; F88-E90 PolarHBondContact O-N 2.62Å; E90-G92 PolarHBondContact O-N 2.96Å; E90-W93 PolarHBondContact O-N 2.83Å; E90-R94 HydrophobicContact CG-CG 4.2Å; E90-R94 WeakPolarHBondContact O-CB 2.93Å; E90-R94 WeakPolarHBondContact O-CG 3.42Å; E90-R94 PolarHBondContact O-N 2.89Å; E90-R94 IonicContact OE1-CZ 2.7Å; E90-R94 IonicContact OE1-NE 3.66Å; E90-R94 PolarHBondContact OE1-NE 3.4Å; E90-R94 IonicContact OE1-NH2 2.8Å; E90-R94 PolarHBondContact OE1-NH2 2.63Å
91E98.4Very high97.9Very high163 Ų16367 Ų6776%0.76234%0.342SS*.Hα-helixtrans-58.4-46.7178.5-172.8-175.9170.100111.4N89 W93 R94 Y95N89-E91 VanDerWaalsContact C-N 3.28Å; N89-E91 PolarHBondContact O-N 3Å; E91-W93 PolarHBondContact O-N 3.1Å; E91-R94 PolarHBondContact O-N 2.9Å; E91-Y95 VanDerWaalsContact O-CB 3.29Å; E91-Y95 WeakPolarHBondContact O-CB 3.45Å; E91-Y95 PolarHBondContact O-N 3.32Å
92G98.6Very high98Very high10 Ų1062 Ų6210%0.10331%0.307CS..Hα-helixtrans-62.6-39.6178.100000113.2N89 E90 Y95 I96N89-G92 PolarHBondContact O-N 3.29Å; N89-G92 WeakPolarHBondContact OD1-CA 3.39Å; N89-G92 PolarHBondContact OD1-N 3.33Å; E90-G92 PolarHBondContact O-N 2.96Å; G92-Y95 WeakPolarHBondContact O-CB 3.4Å; G92-I96 WeakPolarHBondContact O-CG1 3.02Å; G92-I96 PolarHBondContact O-N 2.87Å
93W98.7Very high98Very high1 Ų160.4 Ų60.40%0.00430%0.297CS..Hα-helixtrans-73-40.9176.8-71.9109.9000112.8I14 V67 I72 F88 N89 E90 E91 Y95 I96 A97 L104 W135 L136 Y139I14-W93 HydrophobicContact CB-CZ2 4.34Å; I14-W93 HydrophobicContact CD1-CB 4.36Å; I14-W93 HydrophobicContact CD1-CD2 3.94Å; I14-W93 HydrophobicContact CD1-CE3 4.13Å; I14-W93 HydrophobicContact CD1-CG 4.08Å; I14-W93 HydrophobicContact CG1-CD2 3.81Å; I14-W93 HydrophobicContact CG1-CE3 3.85Å; I14-W93 HydrophobicContact CG1-CG 4.42Å; I14-W93 HydrophobicContact CG1-CH2 4.16Å; I14-W93 HydrophobicContact CG1-CZ2 4.12Å; I14-W93 HydrophobicContact CG1-CZ3 4.03Å; I14-W93 HydrophobicContact CG2-CD2 4.29Å; I14-W93 HydrophobicContact CG2-CZ2 4.07Å; V67-W93 HydrophobicContact CG1-CE3 4.09Å; V67-W93 HydrophobicContact CG2-CE3 3.86Å; V67-W93 HydrophobicContact CG2-CZ3 3.7Å; I72-W93 HydrophobicContact CD1-CB 3.96Å; I72-W93 WeakPolarHBondContact CD1-O 3.42Å; I72-W93 HydrophobicContact CG1-CB 3.88Å; F88-W93 AromaticContact CE2-CD1 3.16Å; F88-W93 HydrophobicContact CE2-CG 4.21Å; F88-W93 AromaticContact CE2-NE1 3.39Å; F88-W93 HydrophobicContact CZ-CB 4.37Å; F88-W93 AromaticContact CZ-CD1 3.31Å; F88-W93 HydrophobicContact CZ-CG 4.01Å; F88-W93 AromaticContact CZ-NE1 3.96Å; N89-W93 PolarHBondContact O-N 3.31Å; N89-W93 VanDerWaalsContact O-N 3.07Å; E90-W93 PolarHBondContact O-N 2.83Å; E91-W93 PolarHBondContact O-N 3.1Å; W93-Y95 VanDerWaalsContact C-N 3.25Å; W93-Y95 PolarHBondContact O-N 3.1Å; W93-I96 HydrophobicContact CE3-CD1 3.95Å; W93-I96 HydrophobicContact CZ3-CD1 4.12Å; W93-I96 PolarHBondContact O-N 2.96Å; W93-I96 VanDerWaalsContact O-N 3.16Å; W93-A97 PolarHBondContact O-N 2.88Å; W93-L104 HydrophobicContact CZ3-CD2 4.26Å; W93-W135 AromaticContact CD2-CH2 3.55Å; W93-W135 HydrophobicContact CD2-CH2 3.55Å; W93-W135 HydrophobicContact CD2-CZ2 4.45Å; W93-W135 HydrophobicContact CD2-CZ3 4.29Å; W93-W135 AromaticContact CE2-CH2 3.31Å; W93-W135 AromaticContact CE2-CZ3 3.58Å; W93-W135 AromaticContact CE3-CH2 3.87Å; W93-W135 HydrophobicContact CE3-CH2 3.87Å; W93-W135 HydrophobicContact CG-CH2 4.14Å; W93-W135 AromaticContact CH2-CH2 3.81Å; W93-W135 HydrophobicContact CH2-CH2 3.81Å; W93-W135 AromaticContact CH2-CZ3 3.86Å; W93-W135 HydrophobicContact CH2-CZ3 3.86Å; W93-W135 AromaticContact CZ2-CH2 3.48Å; W93-W135 HydrophobicContact CZ2-CH2 3.48Å; W93-W135 VanDerWaalsContact CZ2-CH2 3.48Å; W93-W135 AromaticContact CZ2-CZ3 3.36Å; W93-W135 HydrophobicContact CZ2-CZ3 3.36Å; W93-W135 AromaticContact CZ3-CH2 3.98Å; W93-W135 HydrophobicContact CZ3-CH2 3.98Å; W93-W135 HydrophobicContact CZ3-CZ3 4.48Å; W93-W135 AromaticContact NE1-CH2 3.72Å; W93-W135 AromaticContact NE1-CZ3 3.93Å; W93-L136 HydrophobicContact CH2-CD1 3.88Å; W93-L136 HydrophobicContact CZ3-CD1 4.21Å; W93-Y139 HydrophobicContact CH2-CD1 4.19Å; W93-Y139 HydrophobicContact CH2-CE1 4.13Å; W93-Y139 AromaticContact CZ2-CD1 3.88Å; W93-Y139 HydrophobicContact CZ2-CD1 3.88Å; W93-Y139 HydrophobicContact CZ2-CD2 4.4Å; W93-Y139 AromaticContact CZ2-CE1 3.55Å; W93-Y139 HydrophobicContact CZ2-CE1 3.55Å; W93-Y139 HydrophobicContact CZ2-CE2 4.08Å; W93-Y139 HydrophobicContact CZ2-CG 4.3Å; W93-Y139 AromaticContact CZ2-CZ 3.65Å
94R98.8Very high98.1Very high64 Ų6457.8 Ų57.824%0.24229%0.285CS..Hα-helixtrans-63.2-35.2173.3-71.7-170.5-173.4-67.9-8.2111.2H69 I72 D73 E90 E91 I96 A97 N98H69-R94 PolarHBondContact ND1-NH1 3.39Å; I72-R94 HydrophobicContact CD1-CG 4.06Å; I72-R94 HydrophobicContact CG2-CG 4.1Å; D73-R94 IonicContact OD1-CZ 2.69Å; D73-R94 IonicContact OD1-NH1 2.8Å; D73-R94 IonicContact OD1-NH2 2.7Å; D73-R94 PolarHBondContact OD1-NH2 3.48Å; E90-R94 HydrophobicContact CG-CG 4.2Å; E90-R94 WeakPolarHBondContact O-CB 2.93Å; E90-R94 WeakPolarHBondContact O-CG 3.42Å; E90-R94 PolarHBondContact O-N 2.89Å; E90-R94 IonicContact OE1-CZ 2.7Å; E90-R94 IonicContact OE1-NE 3.66Å; E90-R94 PolarHBondContact OE1-NE 3.4Å; E90-R94 IonicContact OE1-NH2 2.8Å; E90-R94 PolarHBondContact OE1-NH2 2.63Å; E91-R94 PolarHBondContact O-N 2.9Å; R94-I96 VanDerWaalsContact C-N 3.35Å; R94-I96 PolarHBondContact O-N 3.23Å; R94-A97 PolarHBondContact O-N 3.35Å; R94-N98 VanDerWaalsContact O-CB 3.29Å; R94-N98 WeakPolarHBondContact O-CB 3.4Å; R94-N98 PolarHBondContact O-N 3.14Å; R94-N98 PolarHBondContact O-ND2 3.05Å
95Y98.8Very high98.2Very high41 Ų4154.6 Ų54.616%0.16125%0.252CS..Hα-helixtrans-59-46172.7178.2-92.8000111.3E91 G92 W93 N98 H99 H100 D130 K132E91-Y95 VanDerWaalsContact O-CB 3.29Å; E91-Y95 WeakPolarHBondContact O-CB 3.45Å; E91-Y95 PolarHBondContact O-N 3.32Å; G92-Y95 WeakPolarHBondContact O-CB 3.4Å; W93-Y95 VanDerWaalsContact C-N 3.25Å; W93-Y95 PolarHBondContact O-N 3.1Å; Y95-N98 PolarHBondContact O-N 2.74Å; Y95-H99 HydrophobicContact CD2-CB 4.36Å; Y95-H99 AromaticContact CD2-CE1 3.34Å; Y95-H99 WeakPolarHBondContact CD2-CE1 3.37Å; Y95-H99 AromaticContact CD2-CG 3.67Å; Y95-H99 AromaticContact CD2-ND1 3.14Å; Y95-H99 WeakPolarHBondContact CD2-ND1 3.29Å; Y95-H99 AromaticContact CD2-NE2 3.91Å; Y95-H99 HydrophobicContact CE1-CB 4.28Å; Y95-H99 HydrophobicContact CE2-CB 3.97Å; Y95-H99 AromaticContact CE2-CD2 3.52Å; Y95-H99 AromaticContact CE2-CE1 3.52Å; Y95-H99 AromaticContact CE2-CG 3.36Å; Y95-H99 AromaticContact CE2-ND1 3.36Å; Y95-H99 WeakPolarHBondContact CE2-ND1 3.17Å; Y95-H99 AromaticContact CE2-NE2 3.6Å; Y95-H99 AromaticContact CG-ND1 3.79Å; Y95-H99 AromaticContact CZ-CG 3.83Å; Y95-H99 VanDerWaalsContact O-CB 3.29Å; Y95-H99 WeakPolarHBondContact O-CB 3.34Å; Y95-H99 PolarHBondContact O-N 2.83Å; Y95-H99 PolarHBondContact O-ND1 3.32Å; Y95-H99 VanDerWaalsContact O-ND1 3.14Å; Y95-H100 AromaticContact CE1-NE2 3.88Å; Y95-D130 WeakPolarHBondContact CE1-OD2 3.45Å; Y95-D130 PolarHBondContact OH-OD2 3.42Å; Y95-K132 HydrophobicContact CD1-CB 4.31Å; Y95-K132 HydrophobicContact CD2-CD 4.15Å; Y95-K132 HydrophobicContact CE1-CB 3.9Å; Y95-K132 HydrophobicContact CE1-CD 4.15Å; Y95-K132 HydrophobicContact CE2-CD 3.54Å
96I98.8Very high98.4Very high0 Ų046.3 Ų46.30%022%0.221CC..Hα-helixtrans-62.5-45.8175.3-66.3166.8000111.4V67 G92 W93 R94 N98 H100 E101 G102 L104 P105 W135 L136V67-I96 HydrophobicContact CB-CG2 4.27Å; V67-I96 HydrophobicContact CG1-CG2 4.49Å; V67-I96 HydrophobicContact CG2-CG2 4.16Å; G92-I96 WeakPolarHBondContact O-CG1 3.02Å; G92-I96 PolarHBondContact O-N 2.87Å; W93-I96 HydrophobicContact CE3-CD1 3.95Å; W93-I96 HydrophobicContact CZ3-CD1 4.12Å; W93-I96 PolarHBondContact O-N 2.96Å; W93-I96 VanDerWaalsContact O-N 3.16Å; R94-I96 VanDerWaalsContact C-N 3.35Å; R94-I96 PolarHBondContact O-N 3.23Å; I96-N98 VanDerWaalsContact C-N 3.31Å; I96-N98 PolarHBondContact O-N 3.28Å; I96-H100 CarbonylContact O-C 3.46Å; I96-H100 WeakPolarHBondContact O-CA 3.31Å; I96-H100 WeakPolarHBondContact O-CB 3.17Å; I96-H100 PolarHBondContact O-N 3.25Å; I96-H100 VanDerWaalsContact O-N 3.07Å; I96-E101 PolarHBondContact O-N 3.32Å; I96-G102 PolarHBondContact O-N 3.25Å; I96-L104 HydrophobicContact CG2-CD2 4.46Å; I96-P105 HydrophobicContact CG1-CG 4.4Å; I96-W135 HydrophobicContact CD1-CH2 3.9Å; I96-W135 HydrophobicContact CD1-CZ2 3.83Å; I96-L136 HydrophobicContact CD1-CD2 4.05Å
97A98.7Very high98.5Very high14 Ų1443.7 Ų43.712%0.11621%0.207CC..Hα-helixtrans-58.6-42.9177.700000112.2V67 I72 W93 R94 E101 G102V67-A97 HydrophobicContact CG1-CB 4.28Å; I72-A97 HydrophobicContact CD1-CB 3.87Å; W93-A97 PolarHBondContact O-N 2.88Å; R94-A97 PolarHBondContact O-N 3.35Å; A97-E101 CarbonylContact O-C 3.47Å; A97-E101 VanDerWaalsContact O-CA 3.25Å; A97-E101 WeakPolarHBondContact O-CA 3.5Å; A97-E101 PolarHBondContact O-N 2.82Å; A97-G102 PolarHBondContact O-N 3.09Å
98N98.7Very high98.6Very high94 Ų9441.6 Ų41.650%0.50320%0.196SC..Hα-helixtrans-84.1-43.1-173.9-66.2-17.5000113.7H69 R94 Y95 I96H69-N98 PolarHBondContact CE1-OD1 3.43Å; H69-N98 PolarHBondContact NE2-OD1 2.76Å; R94-N98 VanDerWaalsContact O-CB 3.29Å; R94-N98 WeakPolarHBondContact O-CB 3.4Å; R94-N98 PolarHBondContact O-N 3.14Å; R94-N98 PolarHBondContact O-ND2 3.05Å; Y95-N98 PolarHBondContact O-N 2.74Å; I96-N98 VanDerWaalsContact C-N 3.31Å; I96-N98 PolarHBondContact O-N 3.28Å
99H98.5Very high98.6Very high115 Ų11544.5 Ų44.553%0.53221%0.209SC..Hα-helixtrans-96.9-24.9-170.4-63.476.9000113.3Y95Y95-H99 HydrophobicContact CD2-CB 4.36Å; Y95-H99 AromaticContact CD2-CE1 3.34Å; Y95-H99 WeakPolarHBondContact CD2-CE1 3.37Å; Y95-H99 AromaticContact CD2-CG 3.67Å; Y95-H99 AromaticContact CD2-ND1 3.14Å; Y95-H99 WeakPolarHBondContact CD2-ND1 3.29Å; Y95-H99 AromaticContact CD2-NE2 3.91Å; Y95-H99 HydrophobicContact CE1-CB 4.28Å; Y95-H99 HydrophobicContact CE2-CB 3.97Å; Y95-H99 AromaticContact CE2-CD2 3.52Å; Y95-H99 AromaticContact CE2-CE1 3.52Å; Y95-H99 AromaticContact CE2-CG 3.36Å; Y95-H99 AromaticContact CE2-ND1 3.36Å; Y95-H99 WeakPolarHBondContact CE2-ND1 3.17Å; Y95-H99 AromaticContact CE2-NE2 3.6Å; Y95-H99 AromaticContact CG-ND1 3.79Å; Y95-H99 AromaticContact CZ-CG 3.83Å; Y95-H99 VanDerWaalsContact O-CB 3.29Å; Y95-H99 WeakPolarHBondContact O-CB 3.34Å; Y95-H99 PolarHBondContact O-N 2.83Å; Y95-H99 PolarHBondContact O-ND1 3.32Å; Y95-H99 VanDerWaalsContact O-ND1 3.14Å
100H98.6Very high98.7Very high43 Ų4343.8 Ų43.820%0.19921%0.205CC..SBendtrans-113.413.9175.6-63.8-80.7000111.7Y95 I96 G102 Y103 D130Y95-H100 AromaticContact CE1-NE2 3.88Å; I96-H100 CarbonylContact O-C 3.46Å; I96-H100 WeakPolarHBondContact O-CA 3.31Å; I96-H100 WeakPolarHBondContact O-CB 3.17Å; I96-H100 PolarHBondContact O-N 3.25Å; I96-H100 VanDerWaalsContact O-N 3.07Å; H100-G102 PolarHBondContact O-N 2.98Å; H100-Y103 WeakPolarHBondContact CB-O 3.25Å; H100-Y103 VanDerWaalsContact O-CB 3.29Å; H100-Y103 WeakPolarHBondContact O-CB 3.39Å; H100-Y103 WeakPolarHBondContact O-CD2 3.47Å; H100-Y103 PolarHBondContact O-N 2.9Å; H100-D130 IonicContact CD2-OD2 3.13Å; H100-D130 IonicContact CE1-OD2 3.38Å; H100-D130 PolarHBondContact CE1-OD2 2.92Å; H100-D130 IonicContact NE2-OD2 3.49Å; H100-D130 PolarHBondContact NE2-OD2 2.92Å
101E98.5Very high98.7Very high141 Ų14141.8 Ų41.866%0.65920%0.196SC*.THydrogen-bonded Turntrans53.728.2-179-58.8175.2-119.800112.7Q65 I96 A97 Y103Q65-E101 VanDerWaalsContact CG-O 3.3Å; Q65-E101 WeakPolarHBondContact CG-O 3.49Å; Q65-E101 PolarHBondContact NE2-O 2.86Å; I96-E101 PolarHBondContact O-N 3.32Å; A97-E101 CarbonylContact O-C 3.47Å; A97-E101 VanDerWaalsContact O-CA 3.25Å; A97-E101 WeakPolarHBondContact O-CA 3.5Å; A97-E101 PolarHBondContact O-N 2.82Å; E101-Y103 VanDerWaalsContact C-N 3.33Å; E101-Y103 HydrophobicContact CB-CD2 4.07Å; E101-Y103 HydrophobicContact CB-CE2 4.3Å; E101-Y103 WeakPolarHBondContact O-CD2 3.25Å; E101-Y103 PolarHBondContact O-N 2.87Å
102G98.4Very high98.7Very high0 Ų035.3 Ų35.30%017%0.168CC..THydrogen-bonded Turntrans79.66-176.800000116V66 V67 I96 A97 H100V66-G102 PolarHBondContact N-O 3.31Å; V66-G102 VanDerWaalsContact N-O 3.08Å; V67-G102 PolarHBondContact N-O 3.43Å; V67-G102 VanDerWaalsContact N-O 3.14Å; V67-G102 WeakPolarHBondContact O-CA 3.36Å; I96-G102 PolarHBondContact O-N 3.25Å; A97-G102 PolarHBondContact O-N 3.09Å; H100-G102 PolarHBondContact O-N 2.98Å
103Y98.8Very high98.7Very high82 Ų8235 Ų3532%0.32216%0.164SC..  trans-84135.3171.7-66.2-116.5000108.9Q65 H100 E101 P105 I451Q65-Y103 HydrophobicContact CB-CD2 4.28Å; Q65-Y103 HydrophobicContact CB-CE2 3.8Å; H100-Y103 WeakPolarHBondContact CB-O 3.25Å; H100-Y103 VanDerWaalsContact O-CB 3.29Å; H100-Y103 WeakPolarHBondContact O-CB 3.39Å; H100-Y103 WeakPolarHBondContact O-CD2 3.47Å; H100-Y103 PolarHBondContact O-N 2.9Å; E101-Y103 VanDerWaalsContact C-N 3.33Å; E101-Y103 HydrophobicContact CB-CD2 4.07Å; E101-Y103 HydrophobicContact CB-CE2 4.3Å; E101-Y103 WeakPolarHBondContact O-CD2 3.25Å; E101-Y103 PolarHBondContact O-N 2.87Å; Y103-P105 VanDerWaalsContact O-CD 3.31Å; Y103-P105 WeakPolarHBondContact O-CD 3.48Å; Y103-I451 HydrophobicContact CD1-CD1 4.42Å; Y103-I451 HydrophobicContact CE1-CD1 4.17Å
104L98.8Very high98.6Very high0 Ų035 Ų350%016%0.163CC..  trans-75.4121.3-174.9-59.4175.1000111.3I13 L62 V66 V67 W93 I96 I106 L136 L140 N449 G450I13-L104 HydrophobicContact CD1-CD1 3.64Å; L62-L104 HydrophobicContact CB-CD1 4.41Å; L62-L104 HydrophobicContact CG-CD1 3.91Å; V66-L104 HydrophobicContact CG2-CD1 3.8Å; V66-L104 HydrophobicContact CG2-CD2 4Å; V66-L104 HydrophobicContact CG2-CG 3.6Å; V67-L104 HydrophobicContact CG2-CD2 3.74Å; W93-L104 HydrophobicContact CZ3-CD2 4.26Å; I96-L104 HydrophobicContact CG2-CD2 4.46Å; L104-I106 VanDerWaalsContact C-N 3.26Å; L104-I106 HydrophobicContact CB-CG1 4.48Å; L104-I106 PolarHBondContact O-N 3.06Å; L104-L136 HydrophobicContact CB-CD2 4.22Å; L104-L136 HydrophobicContact CD2-CD1 4.34Å; L104-L136 HydrophobicContact CD2-CD2 4.24Å; L104-L140 HydrophobicContact CD1-CD1 4.23Å; L104-L140 HydrophobicContact CD1-CD2 4.1Å; L104-N449 VanDerWaalsContact O-CA 3.26Å; L104-N449 WeakPolarHBondContact O-CA 3.35Å; L104-G450 PolarHBondContact O-N 3.49Å
105P98.8Very high98.6Very high0 Ų032.4 Ų32.40%016%0.155CC..  trans-78.873.8179.932.6-36.1000111.4I96 Y103 N128 T129 D130 C133 L136I96-P105 HydrophobicContact CG1-CG 4.4Å; Y103-P105 VanDerWaalsContact O-CD 3.31Å; Y103-P105 WeakPolarHBondContact O-CD 3.48Å; P105-N128 CarbonylContact O-C 3.49Å; P105-N128 WeakPolarHBondContact O-CA 3.24Å; P105-T129 VanDerWaalsContact CA-OG1 3.31Å; P105-T129 WeakPolarHBondContact CA-OG1 3.22Å; P105-T129 WeakPolarHBondContact CB-OG1 3.33Å; P105-T129 PolarHBondContact O-N 2.85Å; P105-T129 PolarHBondContact O-OG1 2.91Å; P105-D130 HydrophobicContact CB-CB 3.88Å; P105-D130 HydrophobicContact CG-CB 4.17Å; P105-C133 HydrophobicContact CG-CB 3.71Å; P105-C133 VanDerWaalsContact CG-SG 3.54Å; P105-L136 HydrophobicContact CG-CD2 4.19Å
106I98.8Very high98.5Very high0 Ų031.7 Ų31.70%015%0.154CC..EExtended strand (participates in β ladder)trans-134.6155.9175.469.4178.7000110.6L62 L104 I108 E127 L136 L140 Y447 K448 N449L62-I106 HydrophobicContact CD2-CD1 3.74Å; L104-I106 VanDerWaalsContact C-N 3.26Å; L104-I106 HydrophobicContact CB-CG1 4.48Å; L104-I106 PolarHBondContact O-N 3.06Å; I106-I108 HydrophobicContact CD1-CD1 3.91Å; I106-I108 HydrophobicContact CD1-CG1 4.16Å; I106-E127 CarbonylContact C-O 3.54Å; I106-E127 WeakPolarHBondContact CA-O 3.33Å; I106-E127 WeakPolarHBondContact CB-O 3.31Å; I106-L136 HydrophobicContact CG2-CD2 3.61Å; I106-L136 HydrophobicContact CG2-CG 3.91Å; I106-L140 HydrophobicContact CD1-CD1 3.3Å; I106-L140 HydrophobicContact CG1-CD1 4.48Å; I106-L140 HydrophobicContact CG2-CD1 4.11Å; I106-Y447 HydrophobicContact CD1-CD1 4.34Å; I106-Y447 HydrophobicContact CD1-CE1 3.82Å; I106-Y447 HydrophobicContact CG1-CD1 3.94Å; I106-Y447 HydrophobicContact CG1-CE1 3.35Å; I106-K448 CarbonylContact O-C 3.56Å; I106-K448 WeakPolarHBondContact O-CA 3.47Å; I106-N449 PolarHBondContact O-N 2.89Å
107I98.8Very high98.5Very high35 Ų3531.7 Ų31.718%0.17915%0.154CC..EExtended strand (participates in β ladder)trans-115.9134.2166.5-174.5168.3000109V126 E127 T129 Y447 K448I107-V126 WeakPolarHBondContact O-CA 3.4Å; I107-E127 HydrophobicContact CG2-CB 3.96Å; I107-E127 PolarHBondContact N-O 3.31Å; I107-E127 PolarHBondContact O-N 3.03Å; I107-T129 HydrophobicContact CB-CG2 3.84Å; I107-T129 HydrophobicContact CG2-CG2 3.94Å; I107-Y447 WeakPolarHBondContact CA-O 3.36Å; I107-K448 HydrophobicContact CB-CG 4.46Å; I107-K448 HydrophobicContact CD1-CD 4.45Å
108I98.9Very high98.4Very high0 Ų032 Ų320%016%0.155CC..EExtended strand (participates in β ladder)trans-120125.9173.7-57.9177.1000108.2L54 L58 L62 I106 M124 T125 V126 L144 I446 Y447L54-I108 HydrophobicContact CD2-CG2 4.39Å; L58-I108 HydrophobicContact CD2-CD1 3.54Å; L62-I108 HydrophobicContact CD2-CD1 3.83Å; I106-I108 HydrophobicContact CD1-CD1 3.91Å; I106-I108 HydrophobicContact CD1-CG1 4.16Å; I108-M124 HydrophobicContact CG2-CG 3.65Å; I108-M124 HydrophobicContact CG2-SD 3.8Å; I108-T125 WeakPolarHBondContact CA-O 3.08Å; I108-V126 HydrophobicContact CG1-CG1 4.15Å; I108-V126 HydrophobicContact CG1-CG2 4.25Å; I108-L144 HydrophobicContact CD1-CD1 4.28Å; I108-L144 HydrophobicContact CD1-CD2 4.07Å; I108-I446 HydrophobicContact CB-CG1 4.28Å; I108-I446 HydrophobicContact CG2-CD1 3.98Å; I108-I446 HydrophobicContact CG2-CG1 3.98Å; I108-I446 WeakPolarHBondContact O-CG1 3.48Å; I108-I446 PolarHBondContact O-N 2.86Å; I108-Y447 HydrophobicContact CD1-CD1 4.33Å; I108-Y447 HydrophobicContact CG1-CD1 4.28Å; I108-Y447 PolarHBondContact N-O 3.37Å; I108-Y447 PolarHBondContact O-N 2.81Å
109K98.8Very high98.3Very high72 Ų7229 Ų2931%0.31314%0.14SC..EExtended strand (participates in β ladder)trans-109.5145.7166.1-52.9-178.8175.9-174.10109.5M124 T125 L443 I444 P445K109-M124 CarbonylContact O-C 3.6Å; K109-M124 VanDerWaalsContact O-CA 3.25Å; K109-M124 WeakPolarHBondContact O-CA 3.45Å; K109-T125 WeakPolarHBondContact CB-OG1 3.45Å; K109-T125 PolarHBondContact N-O 3.25Å; K109-T125 PolarHBondContact O-N 3.05Å; K109-L443 HydrophobicContact CB-CB 4Å; K109-I444 CarbonylContact C-O 3.23Å; K109-I444 WeakPolarHBondContact CA-O 3.42Å; K109-I444 WeakPolarHBondContact CB-O 3.45Å; K109-P445 HydrophobicContact CG-CG 4.4Å
110A98.8Very high98.2Very high1 Ų130.1 Ų30.11%0.00814%0.143CC..EExtended strand (participates in β ladder)trans-150.5162.5175.700000111.4F51 L54 L123 M124 I444 I446F51-A110 HydrophobicContact CE1-CB 3.81Å; F51-A110 HydrophobicContact CZ-CB 4.07Å; L54-A110 HydrophobicContact CD2-CB 3.7Å; A110-L123 CarbonylContact C-O 3.49Å; A110-L123 VanDerWaalsContact CA-O 3.25Å; A110-L123 WeakPolarHBondContact CA-O 3.37Å; A110-L123 WeakPolarHBondContact CB-O 3.46Å; A110-M124 HydrophobicContact CB-CB 4.13Å; A110-M124 HydrophobicContact CB-CG 4.48Å; A110-I444 PolarHBondContact N-O 3.05Å; A110-I444 PolarHBondContact O-N 2.68Å; A110-I446 HydrophobicContact CB-CD1 3.79Å; A110-I446 HydrophobicContact CB-CG1 4.38Å
111V98.2Very high98.2Very high2 Ų228.8 Ų28.81%0.01214%0.137CC..PPolyproline II helixtrans-63.5146.1163.9-58.90000109.2F51 E113 V117 L123 L419 L443F51-V111 HydrophobicContact CB-CG2 3.64Å; F51-V111 HydrophobicContact CD1-CG2 3.29Å; F51-V111 VanDerWaalsContact CD1-O 3.28Å; F51-V111 WeakPolarHBondContact CD1-O 3.4Å; F51-V111 HydrophobicContact CD2-CG2 4.28Å; F51-V111 HydrophobicContact CE1-CG2 3.94Å; F51-V111 WeakPolarHBondContact CE1-O 3.15Å; F51-V111 HydrophobicContact CG-CG2 3.47Å; F51-V111 VanDerWaalsContact CG-CG2 3.47Å; V111-E113 PolarHBondContact O-N 2.99Å; V111-V117 HydrophobicContact CG1-CG2 4.38Å; V111-V117 HydrophobicContact CG2-CG2 4.12Å; V111-L123 HydrophobicContact CG2-CD2 4.21Å; V111-L123 PolarHBondContact N-O 3.37Å; V111-L419 HydrophobicContact CG1-CD2 3.23Å; V111-L443 HydrophobicContact CG1-CD2 3.76Å
112P98.3Very high98.1Very high26 Ų2622 Ų2217%0.16911%0.106CC..PPolyproline II helixtrans-56.6138.9174.5-2635.2000111.8T115 I444 Y456P112-T115 VanDerWaalsContact O-CB 3.22Å; P112-T115 WeakPolarHBondContact O-CB 3.44Å; P112-T115 PolarHBondContact O-N 3.24Å; P112-T115 PolarHBondContact O-OG1 3.21Å; P112-I444 HydrophobicContact CG-CD1 4.42Å; P112-Y456 WeakPolarHBondContact CA-OH 3.31Å; P112-Y456 HydrophobicContact CB-CE1 4.23Å; P112-Y456 WeakPolarHBondContact CB-OH 3.44Å
113E98.6Very high98.2Very high4 Ų422.1 Ų22.12%0.01911%0.106CC..THydrogen-bonded Turntrans-61.7144.4177.4-67.4-160.8-171.300111.7F51 F52 G53 L54 Q55 V111 T115 Y222 Y456 I461 R464F51-E113 HydrophobicContact CD1-CG 4.27Å; F51-E113 HydrophobicContact CE1-CG 4.45Å; F51-E113 CarbonylContact O-C 3.52Å; F51-E113 VanDerWaalsContact O-CA 3.28Å; F51-E113 WeakPolarHBondContact O-CA 3.49Å; F52-E113 HydrophobicContact CD2-CB 4.44Å; F52-E113 WeakPolarHBondContact CD2-OE2 3.33Å; F52-E113 WeakPolarHBondContact CE2-OE2 2.99Å; G53-E113 VanDerWaalsContact N-CD 3.28Å; G53-E113 PolarHBondContact N-OE1 3.22Å; G53-E113 PolarHBondContact N-OE2 2.83Å; L54-E113 WeakPolarHBondContact CA-OE1 3.48Å; L54-E113 PolarHBondContact N-OE1 3.18Å; Q55-E113 WeakPolarHBondContact CB-OE1 3.29Å; Q55-E113 PolarHBondContact N-OE1 2.74Å; V111-E113 PolarHBondContact O-N 2.99Å; E113-T115 VanDerWaalsContact C-N 3.31Å; E113-Y222 WeakPolarHBondContact OE2-CE1 3.14Å; E113-Y222 PolarHBondContact OE2-OH 3.19Å; E113-Y456 HydrophobicContact CB-CD2 4.44Å; E113-Y456 HydrophobicContact CG-CD2 4.4Å; E113-I461 HydrophobicContact CB-CD1 3.8Å; E113-I461 HydrophobicContact CB-CG1 3.91Å; E113-R464 WeakPolarHBondContact O-CD 3.41Å; E113-R464 PolarHBondContact O-NH1 3.25Å
114G98.3Very high98.2Very high0 Ų018.2 Ų18.20%09%0.091CC..THydrogen-bonded Turntrans84.10.3-170.900000114.2F51 I465F51-G114 PolarHBondContact O-N 3.42Å; G114-I465 WeakPolarHBondContact O-CA 3.42Å; G114-I465 WeakPolarHBondContact O-CB 3.46Å; G114-I465 PolarHBondContact O-N 3.39Å
115T98.1Very high98.2Very high11 Ų1118.5 Ų18.57%0.0679%0.093CC..  trans-74130.6170.5-55.20000109.7F51 P112 E113 V117 L428 R464 Y468F51-T115 PolarHBondContact N-O 3.47Å; P112-T115 VanDerWaalsContact O-CB 3.22Å; P112-T115 WeakPolarHBondContact O-CB 3.44Å; P112-T115 PolarHBondContact O-N 3.24Å; P112-T115 PolarHBondContact O-OG1 3.21Å; E113-T115 VanDerWaalsContact C-N 3.31Å; T115-V117 HydrophobicContact CG2-CG2 3.62Å; T115-L428 HydrophobicContact CG2-CD1 4.2Å; T115-R464 WeakPolarHBondContact OG1-CD 3.19Å; T115-Y468 VanDerWaalsContact CG2-OH 3.25Å; T115-Y468 WeakPolarHBondContact CG2-OH 3.47Å
116L97.4Very high98.2Very high25 Ų2518.5 Ų18.513%0.1319%0.093CC..EExtended strand (participates in β ladder)trans-84.9115.6168.5-171.369.9000109N48 V50 I465 Y468N48-L116 HydrophobicContact CB-CD1 3.65Å; N48-L116 HydrophobicContact CB-CD2 4.39Å; N48-L116 HydrophobicContact CB-CG 3.85Å; V50-L116 HydrophobicContact CG2-CD1 3.78Å; L116-I465 HydrophobicContact CB-CD1 4.17Å; L116-Y468 HydrophobicContact CB-CD1 3.66Å; L116-Y468 HydrophobicContact CB-CD2 3.94Å; L116-Y468 HydrophobicContact CB-CE1 3.75Å; L116-Y468 HydrophobicContact CB-CE2 4.02Å; L116-Y468 HydrophobicContact CB-CG 3.74Å; L116-Y468 HydrophobicContact CD2-CD1 4.06Å; L116-Y468 HydrophobicContact CD2-CG 4.17Å; L116-Y468 HydrophobicContact CG-CD1 4.47Å
117V97.6Very high98.2Very high1 Ų119.6 Ų19.61%0.00610%0.098CC..EExtended strand (participates in β ladder)trans-119.3126.5-175.1-1740000110.3N48 S49 V111 T115 N121 L123 L419 L428N48-V117 CarbonylContact C-O 3.44Å; N48-V117 VanDerWaalsContact CA-O 3.3Å; N48-V117 WeakPolarHBondContact CA-O 3.27Å; S49-V117 PolarHBondContact N-O 3.07Å; S49-V117 PolarHBondContact O-N 3.21Å; V111-V117 HydrophobicContact CG1-CG2 4.38Å; V111-V117 HydrophobicContact CG2-CG2 4.12Å; T115-V117 HydrophobicContact CG2-CG2 3.62Å; V117-N121 HydrophobicContact CG1-CB 3.75Å; V117-L123 HydrophobicContact CB-CD2 3.62Å; V117-L123 HydrophobicContact CG1-CD2 3.72Å; V117-L123 HydrophobicContact CG2-CD2 3.75Å; V117-L419 HydrophobicContact CG1-CD2 4.42Å; V117-L428 HydrophobicContact CB-CD1 4.44Å; V117-L428 HydrophobicContact CG1-CD1 4.27Å; V117-L428 HydrophobicContact CG2-CD1 4.06Å
118P97.1Very high98.2Very high21 Ų2118 Ų1814%0.1369%0.09CC..EExtended strand (participates in β ladder)trans-58.2142172.2-21.232000111.4N48 N121 M427N48-P118 WeakPolarHBondContact OD1-CA 3.25Å; N48-P118 WeakPolarHBondContact OD1-CG 2.99Å; P118-N121 WeakPolarHBondContact O-CB 3.48Å; P118-N121 PolarHBondContact O-ND2 3.39Å; P118-M427 HydrophobicContact CB-CE 4.48Å; P118-M427 HydrophobicContact CG-CE 4.18Å
119T96.8Very high98.1Very high29 Ų2920.1 Ų20.118%0.17810%0.103CC..THydrogen-bonded Turntrans-57.4160.417661.40000111.9S41 F46 P47 N121S41-T119 WeakPolarHBondContact OG-CG2 3.12Å; F46-T119 VanDerWaalsContact O-CG2 3.29Å; F46-T119 WeakPolarHBondContact O-CG2 3.37Å; P47-T119 WeakPolarHBondContact O-CG2 3.44Å; P47-T119 PolarHBondContact O-N 3.45Å; P47-T119 PolarHBondContact O-OG1 3.41Å; T119-N121 VanDerWaalsContact C-N 3.25Å; T119-N121 PolarHBondContact O-N 2.82Å
120K96Very high98.1Very high139 Ų13917.6 Ų17.660%0.6049%0.092SC*.THydrogen-bonded Turntrans67.821-172.5-49.3173.5-178.7174.80114S41 K413S41-K120 WeakPolarHBondContact O-CA 3.27Å; S41-K120 PolarHBondContact O-N 3.05Å; K120-K413 WeakPolarHBondContact O-CE 3.32Å; K120-K413 PolarHBondContact O-NZ 3.2Å
121N97.6Very high98.1Very high15 Ų1520.1 Ų20.18%0.0811%0.109CC..SBendtrans-115.4147172-72.7-63.5000112.2E40 V117 P118 T119 L419 L428 V429 T430E40-N121 VanDerWaalsContact CB-O 3.27Å; E40-N121 WeakPolarHBondContact CB-O 3.37Å; V117-N121 HydrophobicContact CG1-CB 3.75Å; P118-N121 WeakPolarHBondContact O-CB 3.48Å; P118-N121 PolarHBondContact O-ND2 3.39Å; T119-N121 VanDerWaalsContact C-N 3.25Å; T119-N121 PolarHBondContact O-N 2.82Å; N121-L419 HydrophobicContact CB-CD1 3.77Å; N121-L428 PolarHBondContact ND2-O 3.38Å; N121-L428 VanDerWaalsContact ND2-O 3.14Å; N121-V429 VanDerWaalsContact OD1-C 3.31Å; N121-V429 VanDerWaalsContact OD1-CA 3.24Å; N121-V429 WeakPolarHBondContact OD1-CA 3.49Å; N121-T430 WeakPolarHBondContact CA-OG1 3.46Å; N121-T430 PolarHBondContact OD1-N 3.17Å; N121-T430 PolarHBondContact OD1-OG1 2.78Å; N121-T430 VanDerWaalsContact OD1-OG1 3.06Å
122V98.4Very high98.1Very high0 Ų026.1 Ų26.10%014%0.135CC..EExtended strand (participates in β ladder)trans-62.6134.7174.563.50000110.5Y38 T125 L417 L419 T430 L443Y38-V122 HydrophobicContact CD2-CG2 4.46Å; V122-T125 HydrophobicContact CG2-CG2 3.64Å; V122-L417 HydrophobicContact CB-CD1 4.17Å; V122-L417 HydrophobicContact CG1-CB 4.36Å; V122-L417 HydrophobicContact CG2-CD1 4.11Å; V122-L419 HydrophobicContact CG1-CB 4.01Å; V122-L419 HydrophobicContact CG1-CD1 4.41Å; V122-T430 HydrophobicContact CB-CG2 4.14Å; V122-T430 HydrophobicContact CG1-CG2 3.71Å; V122-T430 PolarHBondContact N-OG1 3.28Å; V122-L443 HydrophobicContact CG1-CD1 3.83Å; V122-L443 HydrophobicContact CG1-CD2 4.38Å; V122-L443 HydrophobicContact CG1-CG 4.42Å; V122-L443 HydrophobicContact CG2-CD1 4.12Å
123L98.7Very high98.1Very high2 Ų224.9 Ų24.91%0.0113%0.127CC..EExtended strand (participates in β ladder)trans-111.9-33.5178.6-63.2170000111.6F39 F51 A110 V111 V117 M151F39-L123 HydrophobicContact CD1-CB 4.13Å; F39-L123 HydrophobicContact CD1-CD1 4.05Å; F39-L123 HydrophobicContact CE1-CD1 3.88Å; F39-L123 PolarHBondContact O-N 3.16Å; F51-L123 HydrophobicContact CB-CD2 4.42Å; F51-L123 HydrophobicContact CD2-CB 3.82Å; F51-L123 HydrophobicContact CD2-CD1 4.1Å; F51-L123 HydrophobicContact CD2-CD2 4.16Å; F51-L123 HydrophobicContact CD2-CG 4.26Å; F51-L123 HydrophobicContact CE2-CB 3.73Å; F51-L123 HydrophobicContact CE2-CD1 4.48Å; F51-L123 HydrophobicContact CG-CD2 4.5Å; F51-L123 HydrophobicContact CZ-CB 4.45Å; A110-L123 CarbonylContact C-O 3.49Å; A110-L123 VanDerWaalsContact CA-O 3.25Å; A110-L123 WeakPolarHBondContact CA-O 3.37Å; A110-L123 WeakPolarHBondContact CB-O 3.46Å; V111-L123 HydrophobicContact CG2-CD2 4.21Å; V111-L123 PolarHBondContact N-O 3.37Å; V117-L123 HydrophobicContact CB-CD2 3.62Å; V117-L123 HydrophobicContact CG1-CD2 3.72Å; V117-L123 HydrophobicContact CG2-CD2 3.75Å; L123-M151 HydrophobicContact CD1-CE 4.28Å; L123-M151 HydrophobicContact CD1-SD 3.53Å; L123-M151 VanDerWaalsContact CD1-SD 3.53Å
124M98.7Very high98.1Very high0 Ų026.9 Ų26.90%014%0.135CC..EExtended strand (participates in β ladder)trans-148.8146.8-179.5168.4-1777100110.1Y38 F39 F51 L54 I108 K109 A110 V126 L144 F386Y38-M124 CarbonylContact C-O 3.37Å; Y38-M124 VanDerWaalsContact CA-O 3.24Å; Y38-M124 WeakPolarHBondContact CA-O 3.22Å; F39-M124 HydrophobicContact CB-CB 4.22Å; F39-M124 HydrophobicContact CB-CE 3.72Å; F39-M124 HydrophobicContact CG-CE 4.23Å; F39-M124 PolarHBondContact N-O 3.46Å; F39-M124 PolarHBondContact O-N 3.27Å; F51-M124 HydrophobicContact CZ-CB 4.37Å; L54-M124 HydrophobicContact CD1-SD 3.6Å; L54-M124 HydrophobicContact CD2-CB 4.31Å; L54-M124 HydrophobicContact CD2-CG 4.03Å; L54-M124 HydrophobicContact CD2-SD 3.41Å; L54-M124 WeakPolarHBondContact CD2-SD 3.27Å; L54-M124 HydrophobicContact CG-SD 4.19Å; I108-M124 HydrophobicContact CG2-CG 3.65Å; I108-M124 HydrophobicContact CG2-SD 3.8Å; K109-M124 CarbonylContact O-C 3.6Å; K109-M124 VanDerWaalsContact O-CA 3.25Å; K109-M124 WeakPolarHBondContact O-CA 3.45Å; A110-M124 HydrophobicContact CB-CB 4.13Å; A110-M124 HydrophobicContact CB-CG 4.48Å; M124-V126 HydrophobicContact CE-CG2 4.26Å; M124-V126 HydrophobicContact CG-CG2 4.22Å; M124-V126 HydrophobicContact SD-CG2 4.29Å; M124-L144 HydrophobicContact CE-CB 3.86Å; M124-L144 HydrophobicContact CE-CD1 4.45Å; M124-L144 HydrophobicContact SD-CD2 4.44Å; M124-F386 HydrophobicContact CE-CD2 4.37Å; M124-F386 HydrophobicContact CE-CE2 4.14Å
125T98.8Very high98.1Very high5 Ų527.2 Ų27.23%0.03114%0.136CC..EExtended strand (participates in β ladder)trans-128.9143.2172.866.10000110Y36 S37 I108 K109 V122 L443Y36-T125 HydrophobicContact CE1-CG2 4.44Å; Y36-T125 HydrophobicContact CE2-CG2 4.37Å; Y36-T125 WeakPolarHBondContact OH-CG2 3.37Å; S37-T125 CarbonylContact O-C 3.5Å; S37-T125 VanDerWaalsContact O-CA 3.26Å; S37-T125 WeakPolarHBondContact O-CA 3.12Å; I108-T125 WeakPolarHBondContact CA-O 3.08Å; K109-T125 WeakPolarHBondContact CB-OG1 3.45Å; K109-T125 PolarHBondContact N-O 3.25Å; K109-T125 PolarHBondContact O-N 3.05Å; V122-T125 HydrophobicContact CG2-CG2 3.64Å; T125-L443 HydrophobicContact CG2-CD1 3.63Å
126V98.8Very high98.1Very high0 Ų026.7 Ų26.70%013%0.133CC..EExtended strand (participates in β ladder)trans-132.2134.2-175.6-170.90000108.8Y36 S37 I107 I108 M124 T137 L144 F386Y36-V126 WeakPolarHBondContact CA-O 3.42Å; S37-V126 PolarHBondContact N-O 3.14Å; S37-V126 PolarHBondContact O-N 3.32Å; I107-V126 WeakPolarHBondContact O-CA 3.4Å; I108-V126 HydrophobicContact CG1-CG1 4.15Å; I108-V126 HydrophobicContact CG1-CG2 4.25Å; M124-V126 HydrophobicContact CE-CG2 4.26Å; M124-V126 HydrophobicContact CG-CG2 4.22Å; M124-V126 HydrophobicContact SD-CG2 4.29Å; V126-T137 HydrophobicContact CB-CG2 4.16Å; V126-T137 HydrophobicContact CG1-CG2 4.05Å; V126-T137 WeakPolarHBondContact O-CG2 3.31Å; V126-L144 HydrophobicContact CG1-CD1 4.17Å; V126-L144 HydrophobicContact CG2-CD1 3.7Å; V126-F386 HydrophobicContact CB-CE2 4.45Å; V126-F386 HydrophobicContact CB-CZ 4.11Å; V126-F386 HydrophobicContact CG2-CE2 3.73Å; V126-F386 HydrophobicContact CG2-CZ 3.88Å
127E98.8Very high98.2Very high24 Ų2425.5 Ų25.511%0.11213%0.126CC..EExtended strand (participates in β ladder)trans-148.4142.8178-171.2-179.4-161.600110.4I35 Y36 I106 I107 R416I35-E127 WeakPolarHBondContact O-CA 3.37Å; Y36-E127 HydrophobicContact CD2-CB 4.03Å; Y36-E127 HydrophobicContact CD2-CG 4.31Å; I106-E127 CarbonylContact C-O 3.54Å; I106-E127 WeakPolarHBondContact CA-O 3.33Å; I106-E127 WeakPolarHBondContact CB-O 3.31Å; I107-E127 HydrophobicContact CG2-CB 3.96Å; I107-E127 PolarHBondContact N-O 3.31Å; I107-E127 PolarHBondContact O-N 3.03Å; E127-R416 IonicContact OE1-CZ 2.62Å; E127-R416 VanDerWaalsContact OE1-CZ 3.23Å; E127-R416 IonicContact OE1-NH1 2.64Å; E127-R416 PolarHBondContact OE1-NH1 3.35Å; E127-R416 IonicContact OE1-NH2 3.42Å; E127-R416 PolarHBondContact OE1-NH2 2.89Å; E127-R416 IonicContact OE2-CZ 2.68Å; E127-R416 IonicContact OE2-NH1 3.92Å; E127-R416 PolarHBondContact OE2-NH1 3.29Å; E127-R416 IonicContact OE2-NH2 2.74Å
128N98.8Very high98.2Very high2 Ų225.8 Ų25.81%0.01113%0.128CC..EExtended strand (participates in β ladder)trans-70.8145.2171.163.2-70.3000110.6E33 F34 I35 P105 D130 C133 T137E33-N128 PolarHBondContact O-ND2 3.15Å; F34-N128 WeakPolarHBondContact CA-OD1 3.24Å; F34-N128 WeakPolarHBondContact CD1-ND2 3.49Å; F34-N128 VanDerWaalsContact CD1-O 3.25Å; F34-N128 WeakPolarHBondContact CD1-O 3.29Å; F34-N128 WeakPolarHBondContact CE1-O 3.43Å; I35-N128 PolarHBondContact N-OD1 3.27Å; I35-N128 PolarHBondContact O-OD1 2.72Å; P105-N128 CarbonylContact O-C 3.49Å; P105-N128 WeakPolarHBondContact O-CA 3.24Å; N128-D130 PolarHBondContact ND2-O 3.33Å; N128-C133 WeakPolarHBondContact CB-O 3.49Å; N128-T137 PolarHBondContact N-OG1 3.13Å; N128-T137 PolarHBondContact OD1-OG1 3.42Å
129T98.8Very high98.2Very high44 Ų4425.2 Ų25.227%0.2712%0.123SC..SBendtrans-102.2-13.9179.155.10000112.7P105 I107 N449P105-T129 VanDerWaalsContact CA-OG1 3.31Å; P105-T129 WeakPolarHBondContact CA-OG1 3.22Å; P105-T129 WeakPolarHBondContact CB-OG1 3.33Å; P105-T129 PolarHBondContact O-N 2.85Å; P105-T129 PolarHBondContact O-OG1 2.91Å; I107-T129 HydrophobicContact CB-CG2 3.84Å; I107-T129 HydrophobicContact CG2-CG2 3.94Å; T129-N449 WeakPolarHBondContact CB-OD1 3.26Å; T129-N449 WeakPolarHBondContact CG2-OD1 3.49Å; T129-N449 PolarHBondContact OG1-OD1 3.15Å
130D98.6Very high98.3Very high18 Ų1823.9 Ų23.910%0.09612%0.115CC..SBendtrans-111.3127.1173-174.5-39.4000110Y95 H100 P105 N128 K132 C133Y95-D130 WeakPolarHBondContact CE1-OD2 3.45Å; Y95-D130 PolarHBondContact OH-OD2 3.42Å; H100-D130 IonicContact CD2-OD2 3.13Å; H100-D130 IonicContact CE1-OD2 3.38Å; H100-D130 PolarHBondContact CE1-OD2 2.92Å; H100-D130 IonicContact NE2-OD2 3.49Å; H100-D130 PolarHBondContact NE2-OD2 2.92Å; P105-D130 HydrophobicContact CB-CB 3.88Å; P105-D130 HydrophobicContact CG-CB 4.17Å; N128-D130 PolarHBondContact ND2-O 3.33Å; D130-K132 PolarHBondContact O-N 2.73Å; D130-K132 WeakPolarHBondContact OD1-CB 3.43Å; D130-K132 PolarHBondContact OD1-N 3.19Å; D130-C133 HydrophobicContact CB-CB 4.29Å; D130-C133 PolarHBondContact O-N 3.01Å
131P98.4Very high98.4Very high55 Ų5519.5 Ų19.536%0.35710%0.097SC..G310 helixtrans-61-22.2-179.425.1-34.7000114.8E33 F34 C133E33-P131 HydrophobicContact CB-CB 3.9Å; E33-P131 HydrophobicContact CG-CB 4.16Å; E33-P131 VanDerWaalsContact O-CA 3.25Å; E33-P131 WeakPolarHBondContact O-CA 3.44Å; F34-P131 HydrophobicContact CE2-CB 4.06Å; F34-P131 HydrophobicContact CZ-CB 4.04Å; F34-P131 HydrophobicContact CZ-CG 4.45Å; P131-C133 VanDerWaalsContact C-N 3.28Å; P131-C133 PolarHBondContact O-N 2.64Å
132K98.2Very high98.4Very high127 Ų12720.4 Ų20.455%0.55210%0.103SC*.G310 helixtrans-79.6-9.7175-67.1-177.3178.2178.60113.4Y95 D130Y95-K132 HydrophobicContact CD1-CB 4.31Å; Y95-K132 HydrophobicContact CD2-CD 4.15Å; Y95-K132 HydrophobicContact CE1-CB 3.9Å; Y95-K132 HydrophobicContact CE1-CD 4.15Å; Y95-K132 HydrophobicContact CE2-CD 3.54Å; D130-K132 PolarHBondContact O-N 2.73Å; D130-K132 WeakPolarHBondContact OD1-CB 3.43Å; D130-K132 PolarHBondContact OD1-N 3.19Å
133C98.5Very high98.4Very high0 Ų020.7 Ų20.70%010%0.104CC..G310 helixtrans-110.623.7-176.2-61.10000113.2P105 N128 D130 P131 W135 L136P105-C133 HydrophobicContact CG-CB 3.71Å; P105-C133 VanDerWaalsContact CG-SG 3.54Å; N128-C133 WeakPolarHBondContact CB-O 3.49Å; D130-C133 HydrophobicContact CB-CB 4.29Å; D130-C133 PolarHBondContact O-N 3.01Å; P131-C133 VanDerWaalsContact C-N 3.28Å; P131-C133 PolarHBondContact O-N 2.64Å; C133-W135 PolarHBondContact O-N 2.68Å; C133-W135 VanDerWaalsContact O-N 3.14Å; C133-L136 HydrophobicContact CB-CB 4.46Å; C133-L136 WeakPolarHBondContact O-CB 3.34Å; C133-L136 PolarHBondContact O-N 3.31Å
134Y98.2Very high98.4Very high47 Ų4720.6 Ų20.618%0.18410%0.104CC..THydrogen-bonded Turntrans-51.4-36.8-178.661.5-91.1000114.9Y25 Y28 T32 E33 I35 L136Y25-Y134 PolarHBondContact O-OH 2.67Å; Y28-Y134 AromaticContact CD2-CD2 3.87Å; Y28-Y134 HydrophobicContact CD2-CD2 3.87Å; Y28-Y134 AromaticContact CD2-CE2 3.75Å; Y28-Y134 HydrophobicContact CD2-CE2 3.75Å; Y28-Y134 HydrophobicContact CE2-CD2 4.49Å; Y28-Y134 HydrophobicContact CG-CD2 4.22Å; Y28-Y134 HydrophobicContact CG-CE2 4.11Å; T32-Y134 HydrophobicContact CG2-CD2 3.6Å; T32-Y134 HydrophobicContact CG2-CE2 4.33Å; T32-Y134 HydrophobicContact CG2-CG 3.79Å; T32-Y134 WeakPolarHBondContact O-CD1 3.36Å; T32-Y134 WeakPolarHBondContact O-CE1 3.29Å; E33-Y134 WeakPolarHBondContact O-CB 3.37Å; I35-Y134 WeakPolarHBondContact CG1-O 3.33Å; Y134-L136 PolarHBondContact O-N 2.7Å
135W98.2Very high98.4Very high7 Ų721.5 Ų21.53%0.02711%0.109CC..THydrogen-bonded Turntrans-67.3-24.2-177.856-91.5000112.6N89 W93 I96 C133 T137 T138 Y139N89-W135 PolarHBondContact ND2-NE1 3.02Å; N89-W135 VanDerWaalsContact ND2-NE1 3.14Å; W93-W135 AromaticContact CD2-CH2 3.55Å; W93-W135 HydrophobicContact CD2-CH2 3.55Å; W93-W135 HydrophobicContact CD2-CZ2 4.45Å; W93-W135 HydrophobicContact CD2-CZ3 4.29Å; W93-W135 AromaticContact CE2-CH2 3.31Å; W93-W135 AromaticContact CE2-CZ3 3.58Å; W93-W135 AromaticContact CE3-CH2 3.87Å; W93-W135 HydrophobicContact CE3-CH2 3.87Å; W93-W135 HydrophobicContact CG-CH2 4.14Å; W93-W135 AromaticContact CH2-CH2 3.81Å; W93-W135 HydrophobicContact CH2-CH2 3.81Å; W93-W135 AromaticContact CH2-CZ3 3.86Å; W93-W135 HydrophobicContact CH2-CZ3 3.86Å; W93-W135 AromaticContact CZ2-CH2 3.48Å; W93-W135 HydrophobicContact CZ2-CH2 3.48Å; W93-W135 VanDerWaalsContact CZ2-CH2 3.48Å; W93-W135 AromaticContact CZ2-CZ3 3.36Å; W93-W135 HydrophobicContact CZ2-CZ3 3.36Å; W93-W135 AromaticContact CZ3-CH2 3.98Å; W93-W135 HydrophobicContact CZ3-CH2 3.98Å; W93-W135 HydrophobicContact CZ3-CZ3 4.48Å; W93-W135 AromaticContact NE1-CH2 3.72Å; W93-W135 AromaticContact NE1-CZ3 3.93Å; I96-W135 HydrophobicContact CD1-CH2 3.9Å; I96-W135 HydrophobicContact CD1-CZ2 3.83Å; C133-W135 PolarHBondContact O-N 2.68Å; C133-W135 VanDerWaalsContact O-N 3.14Å; W135-T137 PolarHBondContact O-N 3.06Å; W135-T138 PolarHBondContact O-N 3.35Å; W135-T138 PolarHBondContact O-OG1 2.81Å; W135-Y139 AromaticContact CE3-CD2 3.91Å; W135-Y139 HydrophobicContact CE3-CD2 3.91Å; W135-Y139 HydrophobicContact CE3-CG 4.26Å; W135-Y139 AromaticContact CZ3-CD2 3.89Å; W135-Y139 HydrophobicContact CZ3-CD2 3.89Å; W135-Y139 HydrophobicContact CZ3-CE2 4.37Å; W135-Y139 HydrophobicContact CZ3-CG 4.07Å; W135-Y139 PolarHBondContact O-N 2.78Å
136L98.5Very high98.3Very high0 Ų025.5 Ų25.50%013%0.128CC..Hα-helixtrans-64.4-37.3-173.8-173.960.4000112.5W93 I96 L104 P105 I106 C133 Y134 T138 Y139 L140W93-L136 HydrophobicContact CH2-CD1 3.88Å; W93-L136 HydrophobicContact CZ3-CD1 4.21Å; I96-L136 HydrophobicContact CD1-CD2 4.05Å; L104-L136 HydrophobicContact CB-CD2 4.22Å; L104-L136 HydrophobicContact CD2-CD1 4.34Å; L104-L136 HydrophobicContact CD2-CD2 4.24Å; P105-L136 HydrophobicContact CG-CD2 4.19Å; I106-L136 HydrophobicContact CG2-CD2 3.61Å; I106-L136 HydrophobicContact CG2-CG 3.91Å; C133-L136 HydrophobicContact CB-CB 4.46Å; C133-L136 WeakPolarHBondContact O-CB 3.34Å; C133-L136 PolarHBondContact O-N 3.31Å; Y134-L136 PolarHBondContact O-N 2.7Å; L136-T138 VanDerWaalsContact C-N 3.27Å; L136-T138 PolarHBondContact O-N 3.01Å; L136-Y139 WeakPolarHBondContact O-CB 3.36Å; L136-Y139 PolarHBondContact O-N 3.05Å; L136-L140 HydrophobicContact CD1-CD1 4.15Å; L136-L140 HydrophobicContact CD1-CD2 4.27Å; L136-L140 HydrophobicContact CD1-CG 4.02Å; L136-L140 HydrophobicContact CG-CD1 4.02Å; L136-L140 HydrophobicContact CG-CG 4.33Å; L136-L140 WeakPolarHBondContact O-CG 3.29Å; L136-L140 PolarHBondContact O-N 2.9Å
137T98.4Very high98.3Very high0 Ų025.5 Ų25.50%013%0.128CC..Hα-helixtrans-51.4-47.2-179.6-60.60000111.9I35 V126 N128 W135I35-T137 HydrophobicContact CB-CG2 4.48Å; I35-T137 HydrophobicContact CG2-CG2 4.07Å; I35-T137 WeakPolarHBondContact O-CB 3.49Å; I35-T137 WeakPolarHBondContact O-CG2 3.35Å; I35-T137 PolarHBondContact O-OG1 2.9Å; V126-T137 HydrophobicContact CB-CG2 4.16Å; V126-T137 HydrophobicContact CG1-CG2 4.05Å; V126-T137 WeakPolarHBondContact O-CG2 3.31Å; N128-T137 PolarHBondContact N-OG1 3.13Å; N128-T137 PolarHBondContact OD1-OG1 3.42Å; W135-T137 PolarHBondContact O-N 3.06Å
138T97.8Very high98.3Very high6 Ų626.9 Ų26.94%0.03713%0.132CC..Hα-helixtrans-88.6-15.3-178.455.90000113.8K21 Y28 I35 W135 L136 E141 S388K21-T138 WeakPolarHBondContact CD-O 3.26Å; K21-T138 WeakPolarHBondContact CE-O 3.35Å; K21-T138 PolarHBondContact NZ-O 2.8Å; Y28-T138 VanDerWaalsContact OH-CG2 3.24Å; Y28-T138 WeakPolarHBondContact OH-CG2 3.16Å; Y28-T138 PolarHBondContact OH-OG1 3.38Å; I35-T138 HydrophobicContact CG2-CG2 4.01Å; W135-T138 PolarHBondContact O-N 3.35Å; W135-T138 PolarHBondContact O-OG1 2.81Å; L136-T138 VanDerWaalsContact C-N 3.27Å; L136-T138 PolarHBondContact O-N 3.01Å; T138-E141 WeakPolarHBondContact O-CB 3.26Å; T138-S388 WeakPolarHBondContact CG2-OG 3.45Å
139Y98.5Very high98.3Very high9 Ų928 Ų284%0.03514%0.136CC..Hα-helixtrans-67.4-41.5174.4-160-80.4000110.7I14 C17 K21 W93 W135 L136 E141I14-Y139 WeakPolarHBondContact O-CE1 3.29Å; I14-Y139 PolarHBondContact O-OH 2.84Å; C17-Y139 HydrophobicContact CB-CD1 4.09Å; C17-Y139 HydrophobicContact CB-CE1 3.63Å; C17-Y139 VanDerWaalsContact SG-CE1 3.56Å; C17-Y139 PolarHBondContact SG-OH 2.95Å; K21-Y139 HydrophobicContact CB-CD2 4.08Å; K21-Y139 HydrophobicContact CB-CE2 4.29Å; W93-Y139 HydrophobicContact CH2-CD1 4.19Å; W93-Y139 HydrophobicContact CH2-CE1 4.13Å; W93-Y139 AromaticContact CZ2-CD1 3.88Å; W93-Y139 HydrophobicContact CZ2-CD1 3.88Å; W93-Y139 HydrophobicContact CZ2-CD2 4.4Å; W93-Y139 AromaticContact CZ2-CE1 3.55Å; W93-Y139 HydrophobicContact CZ2-CE1 3.55Å; W93-Y139 HydrophobicContact CZ2-CE2 4.08Å; W93-Y139 HydrophobicContact CZ2-CG 4.3Å; W93-Y139 AromaticContact CZ2-CZ 3.65Å; W135-Y139 AromaticContact CE3-CD2 3.91Å; W135-Y139 HydrophobicContact CE3-CD2 3.91Å; W135-Y139 HydrophobicContact CE3-CG 4.26Å; W135-Y139 AromaticContact CZ3-CD2 3.89Å; W135-Y139 HydrophobicContact CZ3-CD2 3.89Å; W135-Y139 HydrophobicContact CZ3-CE2 4.37Å; W135-Y139 HydrophobicContact CZ3-CG 4.07Å; W135-Y139 PolarHBondContact O-N 2.78Å; L136-Y139 WeakPolarHBondContact O-CB 3.36Å; L136-Y139 PolarHBondContact O-N 3.05Å; Y139-E141 PolarHBondContact O-N 3.08Å
140L98.5Very high98.3Very high2 Ų226 Ų261%0.0112%0.124CC..THydrogen-bonded Turntrans-74.3-6.1-178.7-62173.7000114.3I13 L62 L104 I106 L136 T142 I143 L144I13-L140 HydrophobicContact CD1-CD2 3.89Å; L62-L140 HydrophobicContact CD2-CD1 4.47Å; L104-L140 HydrophobicContact CD1-CD1 4.23Å; L104-L140 HydrophobicContact CD1-CD2 4.1Å; I106-L140 HydrophobicContact CD1-CD1 3.3Å; I106-L140 HydrophobicContact CG1-CD1 4.48Å; I106-L140 HydrophobicContact CG2-CD1 4.11Å; L136-L140 HydrophobicContact CD1-CD1 4.15Å; L136-L140 HydrophobicContact CD1-CD2 4.27Å; L136-L140 HydrophobicContact CD1-CG 4.02Å; L136-L140 HydrophobicContact CG-CD1 4.02Å; L136-L140 HydrophobicContact CG-CG 4.33Å; L136-L140 WeakPolarHBondContact O-CG 3.29Å; L136-L140 PolarHBondContact O-N 2.9Å; L140-T142 VanDerWaalsContact C-N 3.26Å; L140-T142 PolarHBondContact O-N 2.92Å; L140-I143 PolarHBondContact O-N 3.36Å; L140-L144 HydrophobicContact CB-CD1 3.96Å; L140-L144 HydrophobicContact CB-CG 4.35Å; L140-L144 WeakPolarHBondContact O-CB 3.41Å; L140-L144 WeakPolarHBondContact O-CG 3.29Å; L140-L144 PolarHBondContact O-N 2.86Å
141E98.4Very high98.3Very high47 Ų4725.2 Ų25.222%0.2212%0.12CC..Hα-helixtrans-51.2-44.7179177178.4171.600112.3K21 T138 Y139 I143 L144 V145 F386K21-E141 IonicContact NZ-OE2 3.18Å; K21-E141 PolarHBondContact NZ-OE2 3.26Å; T138-E141 WeakPolarHBondContact O-CB 3.26Å; Y139-E141 PolarHBondContact O-N 3.08Å; E141-I143 PolarHBondContact O-N 3.13Å; E141-L144 PolarHBondContact O-N 3.08Å; E141-V145 HydrophobicContact CG-CG2 3.71Å; E141-V145 WeakPolarHBondContact O-CB 3.3Å; E141-V145 VanDerWaalsContact O-CG2 3.29Å; E141-V145 WeakPolarHBondContact O-CG2 3.35Å; E141-V145 PolarHBondContact O-N 2.91Å; E141-F386 HydrophobicContact CB-CD1 3.91Å; E141-F386 HydrophobicContact CB-CE1 4.1Å; E141-F386 HydrophobicContact CB-CG 4.32Å; E141-F386 HydrophobicContact CG-CB 3.76Å; E141-F386 HydrophobicContact CG-CD1 3.61Å; E141-F386 HydrophobicContact CG-CD2 4.5Å; E141-F386 HydrophobicContact CG-CE1 4.31Å; E141-F386 HydrophobicContact CG-CG 3.73Å
142T97.6Very high98.3Very high34 Ų3422.6 Ų22.621%0.20910%0.103CC..Hα-helixtrans-55.5-39.9-176.3-42.20000112.1C17 D18 L140C17-T142 WeakPolarHBondContact CA-OG1 3.38Å; D18-T142 PolarHBondContact N-OG1 3.21Å; L140-T142 VanDerWaalsContact C-N 3.26Å; L140-T142 PolarHBondContact O-N 2.92Å
143I97.8Very high98.3Very high5 Ų516.6 Ų16.63%0.0268%0.077CC..Hα-helixtrans-80-49178.7-63.8171.5000109.9I13 L16 I57 N61 L62 L140 E141 V145 Q146I13-I143 HydrophobicContact CD1-CD1 4.24Å; I13-I143 HydrophobicContact CG1-CD1 3.67Å; L16-I143 HydrophobicContact CB-CD1 3.85Å; L16-I143 HydrophobicContact CB-CG1 4.17Å; L16-I143 HydrophobicContact CD1-CD1 4.39Å; L16-I143 WeakPolarHBondContact O-CG1 3.2Å; I57-I143 HydrophobicContact CG2-CG2 3.57Å; N61-I143 HydrophobicContact CB-CG2 4.07Å; L62-I143 HydrophobicContact CD1-CG2 4.26Å; L140-I143 PolarHBondContact O-N 3.36Å; E141-I143 PolarHBondContact O-N 3.13Å; I143-V145 VanDerWaalsContact C-N 3.33Å; I143-V145 PolarHBondContact O-N 2.63Å; I143-Q146 VanDerWaalsContact O-CB 3.26Å; I143-Q146 WeakPolarHBondContact O-CB 3.05Å; I143-Q146 WeakPolarHBondContact O-CG 3.39Å; I143-Q146 PolarHBondContact O-N 2.86Å; I143-Q146 VanDerWaalsContact O-N 3.14Å
144L98.6Very high98.3Very high0 Ų016.6 Ų16.60%08%0.077CC..Hα-helixtrans-67.1-32.6-172.3-68.9177000113.1L54 I57 L58 L62 I108 M124 V126 L140 E141 Q146 V147 F386L54-L144 HydrophobicContact CD1-CD2 4.2Å; I57-L144 HydrophobicContact CG2-CD2 4.25Å; L58-L144 HydrophobicContact CD2-CD2 4.12Å; L62-L144 HydrophobicContact CD2-CD2 4.14Å; I108-L144 HydrophobicContact CD1-CD1 4.28Å; I108-L144 HydrophobicContact CD1-CD2 4.07Å; M124-L144 HydrophobicContact CE-CB 3.86Å; M124-L144 HydrophobicContact CE-CD1 4.45Å; M124-L144 HydrophobicContact SD-CD2 4.44Å; V126-L144 HydrophobicContact CG1-CD1 4.17Å; V126-L144 HydrophobicContact CG2-CD1 3.7Å; L140-L144 HydrophobicContact CB-CD1 3.96Å; L140-L144 HydrophobicContact CB-CG 4.35Å; L140-L144 WeakPolarHBondContact O-CB 3.41Å; L140-L144 WeakPolarHBondContact O-CG 3.29Å; L140-L144 PolarHBondContact O-N 2.86Å; E141-L144 PolarHBondContact O-N 3.08Å; L144-Q146 PolarHBondContact O-N 3.35Å; L144-V147 VanDerWaalsContact O-CG1 3.29Å; L144-V147 WeakPolarHBondContact O-CG1 3.29Å; L144-V147 PolarHBondContact O-N 3.25Å; L144-F386 HydrophobicContact CD1-CE2 4.36Å
145V98.2Very high98.3Very high20 Ų2014.6 Ų14.612%0.1217%0.07CC..G310 helixtrans-62.9-25.6176.6166.30000111.8F39 E141 I143 V147 W148 F386F39-V145 HydrophobicContact CD2-CG2 4.38Å; F39-V145 HydrophobicContact CE2-CG2 4.46Å; E141-V145 HydrophobicContact CG-CG2 3.71Å; E141-V145 WeakPolarHBondContact O-CB 3.3Å; E141-V145 VanDerWaalsContact O-CG2 3.29Å; E141-V145 WeakPolarHBondContact O-CG2 3.35Å; E141-V145 PolarHBondContact O-N 2.91Å; I143-V145 VanDerWaalsContact C-N 3.33Å; I143-V145 PolarHBondContact O-N 2.63Å; V145-V147 PolarHBondContact O-N 3.15Å; V145-W148 WeakPolarHBondContact O-CB 3.4Å; V145-W148 PolarHBondContact O-N 2.95Å; V145-F386 HydrophobicContact CG2-CB 3.53Å; V145-F386 HydrophobicContact CG2-CD2 4.41Å; V145-F386 HydrophobicContact CG2-CG 4.25Å
146Q97.8Very high98.3Very high89 Ų8914.5 Ų14.542%0.4167%0.069SC..G310 helixtrans-57.8-16.9-179.9-61.7-177.610.600113.6I57 I143 L144 W148 Y149 P150I57-Q146 HydrophobicContact CD1-CB 4.18Å; I143-Q146 VanDerWaalsContact O-CB 3.26Å; I143-Q146 WeakPolarHBondContact O-CB 3.05Å; I143-Q146 WeakPolarHBondContact O-CG 3.39Å; I143-Q146 PolarHBondContact O-N 2.86Å; I143-Q146 VanDerWaalsContact O-N 3.14Å; L144-Q146 PolarHBondContact O-N 3.35Å; Q146-W148 PolarHBondContact O-N 2.99Å; Q146-Y149 PolarHBondContact O-N 3.19Å; Q146-Y149 VanDerWaalsContact O-N 3.08Å; Q146-P150 WeakPolarHBondContact O-CD 3.33Å
147V98.4Very high98.3Very high0 Ų014.5 Ų14.50%07%0.069CC..G310 helixtrans-55-20.9171.3750000112.8F39 F51 L54 I57 L144 V145 Y149 P150 M151F39-V147 HydrophobicContact CD1-CG1 3.97Å; F39-V147 HydrophobicContact CD2-CG1 4.4Å; F39-V147 HydrophobicContact CE1-CG1 3.48Å; F39-V147 VanDerWaalsContact CE1-CG1 3.48Å; F39-V147 HydrophobicContact CE2-CG1 3.92Å; F39-V147 HydrophobicContact CG-CG1 4.42Å; F39-V147 HydrophobicContact CZ-CG1 3.44Å; F39-V147 VanDerWaalsContact CZ-CG1 3.44Å; F51-V147 HydrophobicContact CE2-CG2 4.1Å; F51-V147 HydrophobicContact CZ-CG2 4.48Å; L54-V147 HydrophobicContact CB-CG2 4.06Å; I57-V147 HydrophobicContact CD1-CB 3.76Å; I57-V147 HydrophobicContact CD1-CG2 4.44Å; I57-V147 VanDerWaalsContact CD1-N 3.26Å; L144-V147 VanDerWaalsContact O-CG1 3.29Å; L144-V147 WeakPolarHBondContact O-CG1 3.29Å; L144-V147 PolarHBondContact O-N 3.25Å; V145-V147 PolarHBondContact O-N 3.15Å; V147-Y149 PolarHBondContact O-N 3.42Å; V147-P150 WeakPolarHBondContact O-CD 3.29Å; V147-P150 WeakPolarHBondContact O-CG 3.19Å; V147-M151 VanDerWaalsContact O-CB 3.22Å; V147-M151 WeakPolarHBondContact O-CB 3.24Å; V147-M151 PolarHBondContact O-N 3.14Å
148W98.3Very high98.2Very high52 Ų5214.9 Ų14.920%0.1977%0.071CC..Hα-helixtrans-52.9-37.4174.380-102.4000112.4F39 V145 Q146 A152 L377 N378 R379 C384F39-W148 HydrophobicContact CZ-CB 4.39Å; V145-W148 WeakPolarHBondContact O-CB 3.4Å; V145-W148 PolarHBondContact O-N 2.95Å; Q146-W148 PolarHBondContact O-N 2.99Å; W148-A152 HydrophobicContact CE3-CB 4.21Å; W148-A152 HydrophobicContact CZ3-CB 4.38Å; W148-A152 WeakPolarHBondContact O-CB 3.5Å; W148-A152 PolarHBondContact O-N 3.3Å; W148-L377 HydrophobicContact CZ3-CB 4.45Å; W148-N378 VanDerWaalsContact CH2-CA 3.43Å; W148-N378 WeakPolarHBondContact CZ3-O 3.48Å; W148-R379 HydrophobicContact CB-CG 4.25Å; W148-R379 HydrophobicContact CD2-CB 3.94Å; W148-R379 HydrophobicContact CD2-CG 4.36Å; W148-R379 HydrophobicContact CE3-CB 4.46Å; W148-R379 HydrophobicContact CG-CB 4.03Å; W148-R379 HydrophobicContact CG-CG 3.91Å; W148-C384 HydrophobicContact CB-CB 3.96Å
149Y98.5Very high98.2Very high26 Ų2615.2 Ų15.210%0.1027%0.074CC..Hα-helixtrans-69.8-59.8-173.2174.3-117.4000112.8Q146 V147 M151 A152 V153 S194 I197 L374Q146-Y149 PolarHBondContact O-N 3.19Å; Q146-Y149 VanDerWaalsContact O-N 3.08Å; V147-Y149 PolarHBondContact O-N 3.42Å; Y149-M151 PolarHBondContact O-N 3.44Å; Y149-A152 PolarHBondContact O-N 3.14Å; Y149-A152 VanDerWaalsContact O-N 3.1Å; Y149-V153 HydrophobicContact CD2-CG2 4.13Å; Y149-V153 HydrophobicContact CE2-CG2 3.7Å; Y149-V153 WeakPolarHBondContact O-CG2 3.27Å; Y149-V153 PolarHBondContact O-N 2.92Å; Y149-S194 WeakPolarHBondContact CE1-O 3.4Å; Y149-S194 PolarHBondContact OH-O 3.49Å; Y149-I197 HydrophobicContact CD1-CB 4.16Å; Y149-I197 HydrophobicContact CD1-CG2 3.62Å; Y149-I197 HydrophobicContact CE1-CB 3.97Å; Y149-I197 HydrophobicContact CE1-CG2 3.87Å; Y149-L374 WeakPolarHBondContact CE2-O 3.42Å; Y149-L374 PolarHBondContact OH-O 2.98Å
150P98.6Very high98.2Very high3 Ų314.8 Ų14.82%0.0197%0.073CC..Hα-helixtrans-58.3-37.4174.919.1-29000112.2F52 Q146 V147 A152 V153 A154 I197 A201F52-P150 HydrophobicContact CD1-CB 3.78Å; F52-P150 HydrophobicContact CE1-CB 4.26Å; F52-P150 WeakPolarHBondContact O-CG 3.15Å; Q146-P150 WeakPolarHBondContact O-CD 3.33Å; V147-P150 WeakPolarHBondContact O-CD 3.29Å; V147-P150 WeakPolarHBondContact O-CG 3.19Å; P150-A152 PolarHBondContact O-N 3.08Å; P150-V153 PolarHBondContact O-N 2.83Å; P150-A154 VanDerWaalsContact O-CB 3.3Å; P150-A154 WeakPolarHBondContact O-CB 3.32Å; P150-A154 PolarHBondContact O-N 2.86Å; P150-I197 HydrophobicContact CB-CG2 3.69Å; P150-I197 HydrophobicContact CG-CG2 3.83Å; P150-A201 HydrophobicContact CB-CB 4.06Å; P150-A201 WeakPolarHBondContact O-CB 3.29Å
151M98.3Very high98.1Very high0 Ų015.6 Ų15.60%08%0.076CC..Hα-helixtrans-61-44.4174.8-176.6178.775.100112.1F39 V50 F51 L123 V147 Y149 T155 Q382 C384F39-M151 HydrophobicContact CE1-CE 4.18Å; F39-M151 HydrophobicContact CE1-SD 4.37Å; F39-M151 HydrophobicContact CZ-CE 4.31Å; V50-M151 WeakPolarHBondContact O-CG 3.41Å; F51-M151 HydrophobicContact CD2-SD 4.22Å; L123-M151 HydrophobicContact CD1-CE 4.28Å; L123-M151 HydrophobicContact CD1-SD 3.53Å; L123-M151 VanDerWaalsContact CD1-SD 3.53Å; V147-M151 VanDerWaalsContact O-CB 3.22Å; V147-M151 WeakPolarHBondContact O-CB 3.24Å; V147-M151 PolarHBondContact O-N 3.14Å; Y149-M151 PolarHBondContact O-N 3.44Å; M151-T155 VanDerWaalsContact O-CB 3.3Å; M151-T155 WeakPolarHBondContact O-CB 3.25Å; M151-T155 PolarHBondContact O-N 3.03Å; M151-T155 PolarHBondContact O-OG1 3.06Å; M151-Q382 HydrophobicContact CE-CB 4.24Å; M151-C384 WeakPolarHBondContact CE-SG 3.34Å
152A98.2Very high98.1Very high1 Ų116.4 Ų16.41%0.0088%0.08CC..Hα-helixtrans-65.8-43.4178.400000111.7W148 Y149 P150 T155 N156 L377W148-A152 HydrophobicContact CE3-CB 4.21Å; W148-A152 HydrophobicContact CZ3-CB 4.38Å; W148-A152 WeakPolarHBondContact O-CB 3.5Å; W148-A152 PolarHBondContact O-N 3.3Å; Y149-A152 PolarHBondContact O-N 3.14Å; Y149-A152 VanDerWaalsContact O-N 3.1Å; P150-A152 PolarHBondContact O-N 3.08Å; A152-T155 PolarHBondContact O-N 3.21Å; A152-N156 VanDerWaalsContact O-CB 3.26Å; A152-N156 WeakPolarHBondContact O-CB 3.31Å; A152-N156 PolarHBondContact O-N 2.82Å; A152-L377 HydrophobicContact CB-CB 4.46Å; A152-L377 HydrophobicContact CB-CD1 4.29Å
153V98.6Very high98.1Very high0 Ų016.3 Ų16.30%08%0.078CC..Hα-helixtrans-65.7-44.7178.3176.50000111.6Y149 P150 T155 N156 S157 G198 A201 H202 L374 L377Y149-V153 HydrophobicContact CD2-CG2 4.13Å; Y149-V153 HydrophobicContact CE2-CG2 3.7Å; Y149-V153 WeakPolarHBondContact O-CG2 3.27Å; Y149-V153 PolarHBondContact O-N 2.92Å; P150-V153 PolarHBondContact O-N 2.83Å; V153-T155 VanDerWaalsContact C-N 3.33Å; V153-T155 PolarHBondContact O-N 2.95Å; V153-N156 PolarHBondContact O-N 2.91Å; V153-S157 WeakPolarHBondContact O-CB 3.48Å; V153-S157 PolarHBondContact O-N 2.79Å; V153-S157 PolarHBondContact O-OG 3.11Å; V153-G198 VanDerWaalsContact CG1-O 3.3Å; V153-G198 WeakPolarHBondContact CG1-O 3.42Å; V153-A201 HydrophobicContact CB-CB 3.87Å; V153-A201 HydrophobicContact CG1-CB 3.9Å; V153-H202 HydrophobicContact CG1-CB 4.38Å; V153-L374 HydrophobicContact CG1-CD2 3.67Å; V153-L374 HydrophobicContact CG2-CD2 4.47Å; V153-L377 HydrophobicContact CB-CD1 4.3Å; V153-L377 HydrophobicContact CG2-CD1 3.59Å
154A98.6Very high98.1Very high0 Ų016.2 Ų16.20%08%0.077CC..Hα-helixtrans-63.5-39.8176.800000111.5V50 F52 P150 R158 A201 N205V50-A154 HydrophobicContact CB-CB 4.04Å; V50-A154 HydrophobicContact CG1-CB 3.99Å; F52-A154 HydrophobicContact CB-CB 4.28Å; P150-A154 VanDerWaalsContact O-CB 3.3Å; P150-A154 WeakPolarHBondContact O-CB 3.32Å; P150-A154 PolarHBondContact O-N 2.86Å; A154-R158 PolarHBondContact O-N 3.36Å; A154-A201 HydrophobicContact CB-CB 4.28Å; A154-N205 PolarHBondContact O-ND2 2.75Å
155T98.2Very high98.1Very high6 Ų616.7 Ų16.74%0.0378%0.08CC..Hα-helixtrans-67.4-44.2176.1-53.30000111.7F46 N48 S49 V50 M151 A152 V153 R158 A159F46-T155 HydrophobicContact CB-CG2 3.83Å; F46-T155 HydrophobicContact CD1-CG2 4.37Å; F46-T155 HydrophobicContact CD2-CG2 3.57Å; F46-T155 HydrophobicContact CE2-CG2 4.19Å; F46-T155 HydrophobicContact CG-CG2 3.67Å; N48-T155 WeakPolarHBondContact O-CG2 3.35Å; S49-T155 WeakPolarHBondContact CA-OG1 3.26Å; V50-T155 PolarHBondContact N-OG1 3.34Å; M151-T155 VanDerWaalsContact O-CB 3.3Å; M151-T155 WeakPolarHBondContact O-CB 3.25Å; M151-T155 PolarHBondContact O-N 3.03Å; M151-T155 PolarHBondContact O-OG1 3.06Å; A152-T155 PolarHBondContact O-N 3.21Å; V153-T155 VanDerWaalsContact C-N 3.33Å; V153-T155 PolarHBondContact O-N 2.95Å; T155-R158 WeakPolarHBondContact O-CB 3.49Å; T155-R158 PolarHBondContact O-N 3.34Å; T155-A159 PolarHBondContact O-N 2.9Å
156N97.9Very high98.1Very high4 Ų419.5 Ų19.52%0.0219%0.091CC..Hα-helixtrans-60.6-46.3176.6-176.960.1000111.3F46 A152 V153 R158 A159 M160 L345 L377F46-N156 HydrophobicContact CE2-CB 4.44Å; F46-N156 HydrophobicContact CZ-CB 4.15Å; A152-N156 VanDerWaalsContact O-CB 3.26Å; A152-N156 WeakPolarHBondContact O-CB 3.31Å; A152-N156 PolarHBondContact O-N 2.82Å; V153-N156 PolarHBondContact O-N 2.91Å; N156-R158 VanDerWaalsContact C-N 3.32Å; N156-R158 PolarHBondContact O-N 2.72Å; N156-A159 PolarHBondContact O-N 2.82Å; N156-M160 WeakPolarHBondContact O-CG 3.33Å; N156-M160 PolarHBondContact O-N 3.2Å; N156-L345 WeakPolarHBondContact OD1-CD2 3.49Å; N156-L377 HydrophobicContact CB-CD1 4.38Å; N156-L377 HydrophobicContact CB-CD2 4.27Å
157S98.2Very high98.1Very high0 Ų015.5 Ų15.50%07%0.072CC..Hα-helixtrans-60.3-41.6175.8-60.80000111.5V153 M160 K161 H202 F206V153-S157 WeakPolarHBondContact O-CB 3.48Å; V153-S157 PolarHBondContact O-N 2.79Å; V153-S157 PolarHBondContact O-OG 3.11Å; S157-M160 PolarHBondContact O-N 3.25Å; S157-K161 PolarHBondContact O-N 3.44Å; S157-H202 PolarHBondContact OG-ND1 3.38Å; S157-H202 VanDerWaalsContact OG-ND1 3.1Å; S157-F206 WeakPolarHBondContact O-CE2 3.15Å
158R97.9Very high98.1Very high8 Ų815.6 Ų15.63%0.037%0.072CC..Hα-helixtrans-60.2-48.5173.8-173.6176.8177.684.41.9111.5V50 A154 T155 N156 M160 K161 Q162 N205 I465 Y468 P469 L470V50-R158 HydrophobicContact CG2-CB 4.09Å; A154-R158 PolarHBondContact O-N 3.36Å; T155-R158 WeakPolarHBondContact O-CB 3.49Å; T155-R158 PolarHBondContact O-N 3.34Å; N156-R158 VanDerWaalsContact C-N 3.32Å; N156-R158 PolarHBondContact O-N 2.72Å; R158-M160 VanDerWaalsContact C-N 3.31Å; R158-M160 PolarHBondContact O-N 2.86Å; R158-K161 WeakPolarHBondContact O-CA 3.48Å; R158-K161 VanDerWaalsContact O-CB 3.24Å; R158-K161 WeakPolarHBondContact O-CB 3.49Å; R158-K161 PolarHBondContact O-N 2.98Å; R158-Q162 WeakPolarHBondContact O-CG 3.22Å; R158-Q162 PolarHBondContact O-N 3.35Å; R158-N205 WeakPolarHBondContact CA-OD1 3.38Å; R158-N205 VanDerWaalsContact CB-OD1 3.32Å; R158-N205 WeakPolarHBondContact CB-OD1 3.46Å; R158-I465 PolarHBondContact NH1-O 3.12Å; R158-I465 VanDerWaalsContact NH1-O 3.13Å; R158-Y468 VanDerWaalsContact NH2-C 3.33Å; R158-Y468 VanDerWaalsContact NH2-CB 3.29Å; R158-Y468 PolarHBondContact NH2-O 3.5Å; R158-P469 PolarHBondContact NH2-O 3.27Å; R158-L470 HydrophobicContact CG-CD2 4.21Å
159A97.4Very high98Very high13 Ų1317 Ų1711%0.1078%0.081CC..Hα-helixtrans-59.5-41.5179.900000112.2F46 T155 N156 K161 Q162 I163 L345F46-A159 HydrophobicContact CD1-CB 3.91Å; F46-A159 HydrophobicContact CE1-CB 3.42Å; F46-A159 VanDerWaalsContact CE1-CB 3.42Å; F46-A159 HydrophobicContact CZ-CB 4.29Å; T155-A159 PolarHBondContact O-N 2.9Å; N156-A159 PolarHBondContact O-N 2.82Å; A159-K161 VanDerWaalsContact C-N 3.32Å; A159-K161 PolarHBondContact O-N 2.8Å; A159-Q162 PolarHBondContact O-N 2.93Å; A159-I163 PolarHBondContact O-N 2.98Å; A159-L345 HydrophobicContact CB-CD1 3.94Å; A159-L345 HydrophobicContact CB-CD2 4.22Å
160M97.6Very high98Very high0 Ų018.9 Ų18.90%09%0.091CC..Hα-helixtrans-61.7-40.2172.7-66.1175.9141.100111.8N156 S157 R158 Q162 I163 I164 L181 L345 L348 L373N156-M160 WeakPolarHBondContact O-CG 3.33Å; N156-M160 PolarHBondContact O-N 3.2Å; S157-M160 PolarHBondContact O-N 3.25Å; R158-M160 VanDerWaalsContact C-N 3.31Å; R158-M160 PolarHBondContact O-N 2.86Å; M160-Q162 VanDerWaalsContact C-N 3.33Å; M160-Q162 PolarHBondContact O-N 3.06Å; M160-I163 PolarHBondContact O-N 3.19Å; M160-I164 WeakPolarHBondContact O-CG1 3.19Å; M160-I164 PolarHBondContact O-N 2.96Å; M160-L181 HydrophobicContact CB-CD2 3.82Å; M160-L181 HydrophobicContact CG-CD2 4.29Å; M160-L181 HydrophobicContact SD-CD2 3.44Å; M160-L181 WeakPolarHBondContact SD-CD2 3.3Å; M160-L345 HydrophobicContact CE-CB 4.06Å; M160-L345 HydrophobicContact CG-CB 4.21Å; M160-L345 HydrophobicContact CG-CD1 3.82Å; M160-L348 HydrophobicContact CB-CD1 3.6Å; M160-L348 HydrophobicContact CE-CD1 4.11Å; M160-L348 HydrophobicContact CG-CD1 3.61Å; M160-L348 HydrophobicContact SD-CD1 4.25Å; M160-L373 HydrophobicContact SD-CD1 3.85Å
161K97.8Very high98Very high19 Ų1918.8 Ų18.88%0.0839%0.09CC..Hα-helixtrans-60.8-40.1174.6-164.5173.9-177.4169.30112.2S157 R158 A159 I164 V165 T177 N205 F206 L470S157-K161 PolarHBondContact O-N 3.44Å; R158-K161 WeakPolarHBondContact O-CA 3.48Å; R158-K161 VanDerWaalsContact O-CB 3.24Å; R158-K161 WeakPolarHBondContact O-CB 3.49Å; R158-K161 PolarHBondContact O-N 2.98Å; A159-K161 VanDerWaalsContact C-N 3.32Å; A159-K161 PolarHBondContact O-N 2.8Å; K161-I164 PolarHBondContact O-N 2.99Å; K161-V165 HydrophobicContact CG-CG2 4.49Å; K161-V165 WeakPolarHBondContact O-CB 3.31Å; K161-V165 WeakPolarHBondContact O-CG2 3.35Å; K161-V165 PolarHBondContact O-N 2.87Å; K161-T177 WeakPolarHBondContact CE-OG1 3.49Å; K161-T177 PolarHBondContact NZ-OG1 3.11Å; K161-N205 HydrophobicContact CD-CB 4.26Å; K161-N205 WeakPolarHBondContact CD-O 3.4Å; K161-N205 PolarHBondContact NZ-O 2.94Å; K161-F206 HydrophobicContact CB-CE1 4.21Å; K161-F206 HydrophobicContact CB-CE2 3.9Å; K161-F206 HydrophobicContact CB-CZ 3.44Å; K161-F206 VanDerWaalsContact CB-CZ 3.44Å; K161-F206 HydrophobicContact CD-CE1 4.26Å; K161-F206 HydrophobicContact CD-CZ 4.18Å; K161-F206 HydrophobicContact CG-CE1 3.95Å; K161-F206 HydrophobicContact CG-CE2 4.42Å; K161-F206 HydrophobicContact CG-CZ 3.7Å; K161-L470 HydrophobicContact CB-CD2 4.45Å; K161-L470 HydrophobicContact CD-CD1 3.99Å; K161-L470 HydrophobicContact CD-CD2 4.23Å; K161-L470 HydrophobicContact CG-CD1 4.09Å; K161-L470 HydrophobicContact CG-CD2 4.3Å
162Q97.7Very high97.9Very high65 Ų6518.8 Ų18.830%0.3049%0.09SC..Hα-helixtrans-62.9-43177.8-61.8-178.8-79.500111.7R158 A159 M160 V165 K166 L470R158-Q162 WeakPolarHBondContact O-CG 3.22Å; R158-Q162 PolarHBondContact O-N 3.35Å; A159-Q162 PolarHBondContact O-N 2.93Å; M160-Q162 VanDerWaalsContact C-N 3.33Å; M160-Q162 PolarHBondContact O-N 3.06Å; Q162-V165 PolarHBondContact O-N 2.99Å; Q162-K166 PolarHBondContact O-N 3.02Å; Q162-L470 WeakPolarHBondContact CB-O 3.44Å; Q162-L470 HydrophobicContact CG-CB 4.27Å; Q162-L470 HydrophobicContact CG-CD2 3.87Å; Q162-L470 WeakPolarHBondContact CG-O 2.97Å; Q162-L470 PolarHBondContact NE2-O 3.14Å
163I97.8Very high97.9Very high31 Ų3122.6 Ų22.616%0.15911%0.11CC..Hα-helixtrans-60.7-48.9174.6-63.1169.4000110.1A159 M160 V165 K166 Y167 L345 L348 D349 L352A159-I163 PolarHBondContact O-N 2.98Å; M160-I163 PolarHBondContact O-N 3.19Å; I163-V165 VanDerWaalsContact C-N 3.34Å; I163-V165 PolarHBondContact O-N 3.19Å; I163-K166 WeakPolarHBondContact O-CB 3.21Å; I163-K166 PolarHBondContact O-N 3.41Å; I163-Y167 HydrophobicContact CG2-CD2 4.18Å; I163-Y167 HydrophobicContact CG2-CE2 4.15Å; I163-Y167 VanDerWaalsContact O-CD2 3.31Å; I163-Y167 WeakPolarHBondContact O-CD2 3.42Å; I163-Y167 PolarHBondContact O-N 2.71Å; I163-L345 HydrophobicContact CD1-CD1 3.56Å; I163-L348 HydrophobicContact CG2-CB 4.17Å; I163-D349 HydrophobicContact CG2-CB 3.98Å; I163-L352 HydrophobicContact CG2-CD1 4.01Å
164I98.2Very high97.5Very high4 Ų426.2 Ų26.22%0.02113%0.129CC..Hα-helixtrans-59.3-45179.2-69.2166.5000111.2M160 K161 Y167 L168 R180 L181 F206 L352 F367M160-I164 WeakPolarHBondContact O-CG1 3.19Å; M160-I164 PolarHBondContact O-N 2.96Å; K161-I164 PolarHBondContact O-N 2.99Å; I164-Y167 PolarHBondContact O-N 3.06Å; I164-L168 HydrophobicContact CG2-CD1 3.76Å; I164-L168 HydrophobicContact CG2-CG 4.26Å; I164-L168 WeakPolarHBondContact O-CG 3.41Å; I164-L168 PolarHBondContact O-N 3.35Å; I164-R180 HydrophobicContact CD1-CB 4.27Å; I164-R180 HydrophobicContact CG2-CB 3.77Å; I164-R180 HydrophobicContact CG2-CG 4.14Å; I164-L181 HydrophobicContact CD1-CB 4.04Å; I164-F206 HydrophobicContact CD1-CE1 4.49Å; I164-F206 HydrophobicContact CD1-CZ 4.25Å; I164-L352 HydrophobicContact CG1-CD1 4.22Å; I164-F367 HydrophobicContact CD1-CD2 4.32Å
165V97.6Very high97.1Very high9 Ų928.3 Ų28.36%0.05514%0.144CC..Hα-helixtrans-60.4-46.6179.2166.40000111.8K161 Q162 I163 Y167 L168 H169 T177 L470 E471K161-V165 HydrophobicContact CG-CG2 4.49Å; K161-V165 WeakPolarHBondContact O-CB 3.31Å; K161-V165 WeakPolarHBondContact O-CG2 3.35Å; K161-V165 PolarHBondContact O-N 2.87Å; Q162-V165 PolarHBondContact O-N 2.99Å; I163-V165 VanDerWaalsContact C-N 3.34Å; I163-V165 PolarHBondContact O-N 3.19Å; V165-Y167 VanDerWaalsContact C-N 3.26Å; V165-Y167 PolarHBondContact O-N 3.08Å; V165-L168 PolarHBondContact O-N 2.96Å; V165-L168 VanDerWaalsContact O-N 3.1Å; V165-H169 WeakPolarHBondContact O-CB 3.5Å; V165-H169 PolarHBondContact O-N 3.45Å; V165-T177 HydrophobicContact CG2-CG2 3.53Å; V165-L470 HydrophobicContact CG1-CB 4.43Å; V165-L470 HydrophobicContact CG2-CB 4.43Å; V165-L470 HydrophobicContact CG2-CD1 3.77Å; V165-E471 HydrophobicContact CG1-CG 4.28Å
166K97.6Very high96.9Very high80 Ų8030.7 Ų30.735%0.34816%0.161SC..Hα-helixtrans-49.9-49.8175.7171.2-167.6166.8-162.10110.9Q162 I163 H169 E170 D349Q162-K166 PolarHBondContact O-N 3.02Å; I163-K166 WeakPolarHBondContact O-CB 3.21Å; I163-K166 PolarHBondContact O-N 3.41Å; K166-H169 PolarHBondContact O-N 3.3Å; K166-E170 VanDerWaalsContact O-CG 3.3Å; K166-E170 WeakPolarHBondContact O-CG 3.42Å; K166-E170 PolarHBondContact O-N 2.92Å; K166-D349 IonicContact NZ-OD1 2.88Å; K166-D349 PolarHBondContact NZ-OD1 3.31Å; K166-D349 VanDerWaalsContact NZ-OD1 3.13Å
167Y98.3Very high96.7Very high5 Ų531.6 Ų31.62%0.0217%0.166CC..Hα-helixtrans-73.7-31-179-75.8-81.8000113.8I163 I164 V165 E170 T171 D349 L352 N353 K356I163-Y167 HydrophobicContact CG2-CD2 4.18Å; I163-Y167 HydrophobicContact CG2-CE2 4.15Å; I163-Y167 VanDerWaalsContact O-CD2 3.31Å; I163-Y167 WeakPolarHBondContact O-CD2 3.42Å; I163-Y167 PolarHBondContact O-N 2.71Å; I164-Y167 PolarHBondContact O-N 3.06Å; V165-Y167 VanDerWaalsContact C-N 3.26Å; V165-Y167 PolarHBondContact O-N 3.08Å; Y167-E170 PolarHBondContact O-N 3.11Å; Y167-T171 WeakPolarHBondContact O-CB 3.38Å; Y167-T171 WeakPolarHBondContact O-CG2 3.29Å; Y167-T171 PolarHBondContact O-N 3.39Å; Y167-T171 PolarHBondContact O-OG1 2.87Å; Y167-D349 WeakPolarHBondContact CE2-OD1 3.42Å; Y167-D349 PolarHBondContact OH-OD1 2.94Å; Y167-D349 VanDerWaalsContact OH-OD1 3.13Å; Y167-L352 HydrophobicContact CD1-CB 3.86Å; Y167-L352 HydrophobicContact CD2-CB 3.46Å; Y167-L352 VanDerWaalsContact CD2-CB 3.46Å; Y167-L352 HydrophobicContact CD2-CD1 3.7Å; Y167-L352 HydrophobicContact CD2-CG 4.14Å; Y167-L352 HydrophobicContact CE1-CB 4.1Å; Y167-L352 HydrophobicContact CE2-CB 3.73Å; Y167-L352 HydrophobicContact CE2-CD1 4.43Å; Y167-L352 HydrophobicContact CG-CB 3.54Å; Y167-L352 HydrophobicContact CG-CD1 4.17Å; Y167-L352 HydrophobicContact CG-CD2 4.44Å; Y167-L352 HydrophobicContact CG-CG 4.27Å; Y167-N353 HydrophobicContact CE1-CB 4.23Å; Y167-N353 WeakPolarHBondContact OH-CB 3.45Å; Y167-K356 HydrophobicContact CD1-CB 4.26Å; Y167-K356 HydrophobicContact CD1-CD 4.12Å; Y167-K356 HydrophobicContact CE1-CB 4.29Å; Y167-K356 HydrophobicContact CE1-CD 3.93Å
168L98Very high96.6Very high1 Ų135 Ų351%0.00518%0.182CC..Hα-helixtrans-64.5-44.7170.1-71.8169.2000110.8I164 V165 E170 T171 A172 C175 T177 R180 A362I164-L168 HydrophobicContact CG2-CD1 3.76Å; I164-L168 HydrophobicContact CG2-CG 4.26Å; I164-L168 WeakPolarHBondContact O-CG 3.41Å; I164-L168 PolarHBondContact O-N 3.35Å; V165-L168 PolarHBondContact O-N 2.96Å; V165-L168 VanDerWaalsContact O-N 3.1Å; L168-E170 VanDerWaalsContact C-N 3.29Å; L168-E170 PolarHBondContact O-N 2.92Å; L168-T171 PolarHBondContact O-N 3.07Å; L168-A172 HydrophobicContact CB-CB 4.38Å; L168-A172 HydrophobicContact CD2-CB 3.83Å; L168-A172 WeakPolarHBondContact O-CA 3.48Å; L168-A172 WeakPolarHBondContact O-CB 3.33Å; L168-A172 PolarHBondContact O-N 3.26Å; L168-C175 HydrophobicContact CB-CB 4.46Å; L168-T177 HydrophobicContact CD1-CG2 4Å; L168-R180 HydrophobicContact CD1-CG 4.32Å; L168-A362 HydrophobicContact CD2-CB 4.02Å; L168-A362 HydrophobicContact CG-CB 4.42Å
169H97.2Very high96.6Very high82 Ų8239.2 Ų39.238%0.3820%0.201SC..Hα-helixtrans-62.8-35175.4-77.6-177.4000112.7V165 K166 C175 K326 E471V165-H169 WeakPolarHBondContact O-CB 3.5Å; V165-H169 PolarHBondContact O-N 3.45Å; K166-H169 PolarHBondContact O-N 3.3Å; H169-C175 VanDerWaalsContact CD2-SG 3.6Å; H169-K326 WeakPolarHBondContact O-CE 3.1Å; H169-K326 PolarHBondContact O-NZ 2.88Å; H169-E471 IonicContact CE1-OE1 3.9Å; H169-E471 IonicContact CE1-OE2 3.57Å; H169-E471 PolarHBondContact CE1-OE2 2.81Å; H169-E471 IonicContact CG-OE1 2.65Å; H169-E471 IonicContact ND1-OE1 3.09Å; H169-E471 PolarHBondContact ND1-OE1 2.99Å; H169-E471 IonicContact ND1-OE2 2.88Å; H169-E471 PolarHBondContact ND1-OE2 3.04Å; H169-E471 VanDerWaalsContact ND1-OE2 3.1Å
170E98Very high96.6Very high66 Ų6640 Ų4031%0.30820%0.201SC..Hα-helixtrans-76.8-28.8177.5-72174.6-176.800113.3K166 Y167 L168 Y328 K356K166-E170 VanDerWaalsContact O-CG 3.3Å; K166-E170 WeakPolarHBondContact O-CG 3.42Å; K166-E170 PolarHBondContact O-N 2.92Å; Y167-E170 PolarHBondContact O-N 3.11Å; L168-E170 VanDerWaalsContact C-N 3.29Å; L168-E170 PolarHBondContact O-N 2.92Å; E170-Y328 VanDerWaalsContact O-CE2 3.29Å; E170-Y328 WeakPolarHBondContact O-CE2 3.29Å; E170-K356 IonicContact OE1-NZ 2.75Å; E170-K356 WeakPolarHBondContact OE2-CD 3.4Å; E170-K356 VanDerWaalsContact OE2-CE 3.29Å; E170-K356 WeakPolarHBondContact OE2-CE 3.43Å; E170-K356 IonicContact OE2-NZ 3.53Å; E170-K356 PolarHBondContact OE2-NZ 3.01Å
171T98.5Very high96.6Very high1 Ų140 Ų401%0.00620%0.201CC..Hα-helixtrans-132.5-10.4-16373.50000116.3Y167 L168 N324 Y328 K356 S361 A362Y167-T171 WeakPolarHBondContact O-CB 3.38Å; Y167-T171 WeakPolarHBondContact O-CG2 3.29Å; Y167-T171 PolarHBondContact O-N 3.39Å; Y167-T171 PolarHBondContact O-OG1 2.87Å; L168-T171 PolarHBondContact O-N 3.07Å; T171-N324 PolarHBondContact O-ND2 2.77Å; T171-Y328 HydrophobicContact CG2-CD1 3.94Å; T171-Y328 HydrophobicContact CG2-CD2 4.15Å; T171-Y328 HydrophobicContact CG2-CE1 3.68Å; T171-Y328 HydrophobicContact CG2-CE2 3.9Å; T171-Y328 HydrophobicContact CG2-CG 4.18Å; T171-K356 HydrophobicContact CG2-CB 4.15Å; T171-K356 HydrophobicContact CG2-CD 4.23Å; T171-K356 HydrophobicContact CG2-CG 3.8Å; T171-S361 VanDerWaalsContact C-OG 3.31Å; T171-S361 WeakPolarHBondContact O-CB 3.41Å; T171-S361 PolarHBondContact O-OG 3.33Å; T171-A362 WeakPolarHBondContact OG1-CB 3.34Å; T171-A362 PolarHBondContact OG1-N 2.98Å
172A97.8Very high96.6Very high0 Ų040 Ų400%020%0.201CC..  trans-121.2149-173.700000112.7L168 D174 K326 S361 E363L168-A172 HydrophobicContact CB-CB 4.38Å; L168-A172 HydrophobicContact CD2-CB 3.83Å; L168-A172 WeakPolarHBondContact O-CA 3.48Å; L168-A172 WeakPolarHBondContact O-CB 3.33Å; L168-A172 PolarHBondContact O-N 3.26Å; A172-D174 WeakPolarHBondContact CB-O 3.39Å; A172-K326 VanDerWaalsContact O-CE 3.25Å; A172-K326 WeakPolarHBondContact O-CE 3.36Å; A172-K326 PolarHBondContact O-NZ 3.1Å; A172-S361 WeakPolarHBondContact CA-OG 3.2Å; A172-E363 HydrophobicContact CB-CB 3.87Å
173D96.5Very high96.7Very high81 Ų8136.9 Ų36.943%0.43319%0.187SC..SBendtrans-83.3-38.9169.4-68.6-15.3000110.2N324 S325D173-N324 WeakPolarHBondContact OD2-CB 3.18Å; D173-S325 WeakPolarHBondContact OD1-CB 3.25Å; D173-S325 PolarHBondContact OD1-N 2.88Å; D173-S325 PolarHBondContact OD1-OG 2.52Å; D173-S325 PolarHBondContact OD2-N 3.22Å
174D90.9Very high96.6Very high75 Ų7536.7 Ų36.740%0.40119%0.185SC..  trans-89.2121170.3176.424.7000111.1A172 S176A172-D174 WeakPolarHBondContact CB-O 3.39Å; D174-S176 VanDerWaalsContact CG-OG 3.31Å; D174-S176 VanDerWaalsContact OD1-CB 3.25Å; D174-S176 WeakPolarHBondContact OD1-CB 3.49Å; D174-S176 PolarHBondContact OD1-N 3.5Å; D174-S176 PolarHBondContact OD1-OG 3.5Å; D174-S176 WeakPolarHBondContact OD2-CB 3.33Å; D174-S176 PolarHBondContact OD2-OG 2.78Å
175C91.1Very high96.5Very high45 Ų4536.5 Ų36.530%0.30418%0.184SC..  trans-104.822.1179.7-58.10000112.6L168 H169 T177L168-C175 HydrophobicContact CB-CB 4.46Å; H169-C175 VanDerWaalsContact CD2-SG 3.6Å; C175-T177 VanDerWaalsContact O-CG2 3.3Å; C175-T177 WeakPolarHBondContact O-CG2 3.47Å; C175-T177 PolarHBondContact O-N 2.88Å
176S93.2Very high96.5Very high56 Ų5639.8 Ų39.839%0.39220%0.198SC..  trans-56.4130.7173.665.40000111.9D174 R180D174-S176 VanDerWaalsContact CG-OG 3.31Å; D174-S176 VanDerWaalsContact OD1-CB 3.25Å; D174-S176 WeakPolarHBondContact OD1-CB 3.49Å; D174-S176 PolarHBondContact OD1-N 3.5Å; D174-S176 PolarHBondContact OD1-OG 3.5Å; D174-S176 WeakPolarHBondContact OD2-CB 3.33Å; D174-S176 PolarHBondContact OD2-OG 2.78Å; S176-R180 VanDerWaalsContact O-CG 3.27Å; S176-R180 WeakPolarHBondContact O-CG 3.27Å; S176-R180 PolarHBondContact O-NE 2.5Å
177T94.5Very high96.4Very high22 Ų2245.1 Ų45.114%0.13522%0.216CC..  trans-118.6-19.3-170.557.30000115.4K161 V165 L168 C175 F179 R180 F206K161-T177 WeakPolarHBondContact CE-OG1 3.49Å; K161-T177 PolarHBondContact NZ-OG1 3.11Å; V165-T177 HydrophobicContact CG2-CG2 3.53Å; L168-T177 HydrophobicContact CD1-CG2 4Å; C175-T177 VanDerWaalsContact O-CG2 3.3Å; C175-T177 WeakPolarHBondContact O-CG2 3.47Å; C175-T177 PolarHBondContact O-N 2.88Å; T177-F179 PolarHBondContact O-N 3.07Å; T177-R180 PolarHBondContact O-N 3Å; T177-R180 VanDerWaalsContact O-N 3.12Å; T177-F206 VanDerWaalsContact O-CD1 3.29Å; T177-F206 WeakPolarHBondContact O-CD1 3.39Å; T177-F206 WeakPolarHBondContact O-CE1 3.45Å
178E95.7Very high96.1Very high72 Ų7246.4 Ų46.434%0.33623%0.23SC..THydrogen-bonded Turntrans-58.3-32.1-165.1-56.3-169.2137.800113.8K207E178-K207 HydrophobicContact CB-CB 4.3Å; E178-K207 HydrophobicContact CB-CD 4.16Å; E178-K207 HydrophobicContact CB-CG 4.27Å; E178-K207 HydrophobicContact CG-CD 4.39Å; E178-K207 PolarHBondContact O-N 3.32Å; E178-K207 WeakPolarHBondContact OE1-CE 3.24Å; E178-K207 IonicContact OE1-NZ 3.17Å; E178-K207 PolarHBondContact OE1-NZ 2.78Å; E178-K207 WeakPolarHBondContact OE2-CD 3.07Å; E178-K207 IonicContact OE2-NZ 3.14Å; E178-K207 PolarHBondContact OE2-NZ 2.65Å; E178-K207 VanDerWaalsContact OE2-NZ 3.09Å
179F97.2Very high96Very high97 Ų9747.3 Ų47.343%0.42524%0.236SC..THydrogen-bonded Turntrans-116.319-176.6-59.6-74000113.3T177 K207 F229T177-F179 PolarHBondContact O-N 3.07Å; F179-K207 HydrophobicContact CD1-CB 4.17Å; F179-K207 HydrophobicContact CE1-CB 3.5Å; F179-K207 HydrophobicContact CE2-CB 4.49Å; F179-K207 HydrophobicContact CZ-CB 3.71Å; F179-K207 HydrophobicContact CZ-CD 4.32Å; F179-F229 HydrophobicContact CE1-CB 4Å; F179-F229 AromaticContact CE1-CD2 3.92Å; F179-F229 HydrophobicContact CE1-CD2 3.92Å; F179-F229 HydrophobicContact CE1-CG 4.36Å; F179-F229 HydrophobicContact CZ-CB 4.47Å; F179-F229 AromaticContact CZ-CD2 3.86Å; F179-F229 HydrophobicContact CZ-CD2 3.86Å; F179-F229 HydrophobicContact CZ-CG 4.44Å
180R97.5Very high95.9Very high30 Ų3048 Ų4811%0.11325%0.25CS..SBendtrans-82.4-19.9-178.3-64.2-67.3-179.9-177.4-4.3113.8I164 L168 S176 T177 E363 V365 F367I164-R180 HydrophobicContact CD1-CB 4.27Å; I164-R180 HydrophobicContact CG2-CB 3.77Å; I164-R180 HydrophobicContact CG2-CG 4.14Å; L168-R180 HydrophobicContact CD1-CG 4.32Å; S176-R180 VanDerWaalsContact O-CG 3.27Å; S176-R180 WeakPolarHBondContact O-CG 3.27Å; S176-R180 PolarHBondContact O-NE 2.5Å; T177-R180 PolarHBondContact O-N 3Å; T177-R180 VanDerWaalsContact O-N 3.12Å; R180-E363 PolarHBondContact NH1-O 3.48Å; R180-V365 PolarHBondContact NH1-O 3.4Å; R180-F367 PolarHBondContact O-N 2.98Å
181L98.2Very high95.9Very high0 Ų047.2 Ų47.20%025%0.252CS..EExtended strand (participates in β ladder)trans-131.8123.6171.2-17765.9000108.9M160 I164 H202 F206 V343 F367 L373M160-L181 HydrophobicContact CB-CD2 3.82Å; M160-L181 HydrophobicContact CG-CD2 4.29Å; M160-L181 HydrophobicContact SD-CD2 3.44Å; M160-L181 WeakPolarHBondContact SD-CD2 3.3Å; I164-L181 HydrophobicContact CD1-CB 4.04Å; L181-H202 PolarHBondContact O-NE2 2.74Å; L181-F206 HydrophobicContact CB-CD1 4.07Å; L181-F206 HydrophobicContact CB-CD2 4.23Å; L181-F206 HydrophobicContact CB-CE1 3.74Å; L181-F206 HydrophobicContact CB-CE2 3.89Å; L181-F206 HydrophobicContact CB-CG 4.29Å; L181-F206 HydrophobicContact CB-CZ 3.62Å; L181-F206 HydrophobicContact CD2-CD2 4.35Å; L181-F206 HydrophobicContact CD2-CE2 3.75Å; L181-F206 HydrophobicContact CD2-CZ 4.1Å; L181-F206 HydrophobicContact CG-CE2 4.39Å; L181-V343 HydrophobicContact CD1-CG1 4.21Å; L181-F367 CarbonylContact C-O 3.59Å; L181-F367 VanDerWaalsContact CA-O 3.26Å; L181-F367 WeakPolarHBondContact CA-O 3.42Å; L181-F367 HydrophobicContact CD1-CB 3.8Å; L181-L373 HydrophobicContact CD2-CD1 4.33Å
182H98Very high95.8Very high18 Ų1852.8 Ų52.88%0.08328%0.28CS..EExtended strand (participates in β ladder)trans-109.2136.8-176.7-148.7107.2000110.1F184 G208 T209 D210 F229 F367 G368 S369H182-F184 HydrophobicContact CB-CE1 4.14Å; H182-F184 HydrophobicContact CB-CZ 4.43Å; H182-F184 AromaticContact CD2-CD1 3.79Å; H182-F184 AromaticContact CD2-CE1 3.37Å; H182-F184 WeakPolarHBondContact CD2-CE1 3.38Å; H182-F184 AromaticContact CG-CE1 3.96Å; H182-F184 PolarHBondContact O-N 3.12Å; H182-G208 WeakPolarHBondContact ND1-CA 3.44Å; H182-T209 PolarHBondContact CD2-N 3.29Å; H182-T209 PolarHBondContact CE1-N 2.91Å; H182-T209 WeakPolarHBondContact NE2-CA 3.48Å; H182-T209 PolarHBondContact NE2-N 2.95Å; H182-D210 IonicContact CD2-OD1 3.06Å; H182-D210 IonicContact CE1-OD1 2.65Å; H182-D210 IonicContact NE2-OD1 2.78Å; H182-D210 PolarHBondContact NE2-OD1 3.18Å; H182-F229 PolarHBondContact CE1-O 3Å; H182-F367 PolarHBondContact N-O 3.14Å; H182-G368 CarbonylContact O-C 3.49Å; H182-G368 WeakPolarHBondContact O-CA 3.48Å; H182-S369 PolarHBondContact O-N 3.32Å
183D98.4Very high95.8Very high0 Ų055.9 Ų55.90%030%0.295CS..EExtended strand (participates in β ladder)trans-81.5113176168.836.7000111.7G185 G199 H202 G208 T209 D210 S211 L373D183-G185 WeakPolarHBondContact OD1-CA 3.34Å; D183-G185 PolarHBondContact OD1-N 2.79Å; D183-G199 WeakPolarHBondContact OD2-CA 3.28Å; D183-H202 VanDerWaalsContact CB-CD2 3.49Å; D183-H202 WeakPolarHBondContact CB-CD2 3.46Å; D183-G208 PolarHBondContact N-O 3.42Å; D183-T209 PolarHBondContact OD2-OG1 3.1Å; D183-D210 PolarHBondContact O-N 2.89Å; D183-S211 WeakPolarHBondContact OD2-CB 3.38Å; D183-S211 PolarHBondContact OD2-OG 2.8Å; D183-L373 HydrophobicContact CB-CD2 3.79Å
184F96.8Very high95.9Very high27 Ų2753.2 Ų53.212%0.11828%0.283CS..  trans-108.619171.1-64.1-21000111.8H182 D210 I338 S369H182-F184 HydrophobicContact CB-CE1 4.14Å; H182-F184 HydrophobicContact CB-CZ 4.43Å; H182-F184 AromaticContact CD2-CD1 3.79Å; H182-F184 AromaticContact CD2-CE1 3.37Å; H182-F184 WeakPolarHBondContact CD2-CE1 3.38Å; H182-F184 AromaticContact CG-CE1 3.96Å; H182-F184 PolarHBondContact O-N 3.12Å; F184-D210 HydrophobicContact CD1-CB 4.26Å; F184-D210 WeakPolarHBondContact CD1-OD2 3.35Å; F184-D210 WeakPolarHBondContact CE1-OD2 3.37Å; F184-I338 HydrophobicContact CZ-CD1 4.11Å; F184-S369 PolarHBondContact N-O 3.45Å
185G96.3Very high96.2Very high0 Ų049.7 Ų49.70%026%0.263CS..  trans-82.7-13.2-163.800000116D183 R187 G188 V189D183-G185 WeakPolarHBondContact OD1-CA 3.34Å; D183-G185 PolarHBondContact OD1-N 2.79Å; G185-R187 PolarHBondContact O-N 2.73Å; G185-G188 WeakPolarHBondContact O-CA 3.43Å; G185-G188 PolarHBondContact O-N 3.29Å; G185-V189 PolarHBondContact O-N 3.14Å
186F97.2Very high96.6Very high78 Ų7848 Ų4834%0.34225%0.253SS..G310 helixtrans-52.4-50.8-175.1-169.1177.1000112.2G188 V189 I192 A195 V213F186-G188 PolarHBondContact O-N 3.01Å; F186-G188 VanDerWaalsContact O-N 3.13Å; F186-V189 VanDerWaalsContact O-CG2 3.32Å; F186-V189 WeakPolarHBondContact O-CG2 3.3Å; F186-V189 PolarHBondContact O-N 2.9Å; F186-I192 HydrophobicContact CE2-CG1 4.2Å; F186-I192 HydrophobicContact CZ-CG1 4.36Å; F186-A195 HydrophobicContact CB-CB 4.33Å; F186-A195 HydrophobicContact CD2-CB 3.22Å; F186-A195 HydrophobicContact CE2-CB 3.71Å; F186-A195 HydrophobicContact CG-CB 3.92Å; F186-V213 HydrophobicContact CD1-CG2 3.95Å; F186-V213 HydrophobicContact CD2-CG2 4.29Å; F186-V213 HydrophobicContact CE1-CB 4.35Å; F186-V213 HydrophobicContact CE1-CG1 3.59Å; F186-V213 HydrophobicContact CE1-CG2 3.81Å; F186-V213 HydrophobicContact CE2-CG1 4.43Å; F186-V213 HydrophobicContact CE2-CG2 4.18Å; F186-V213 HydrophobicContact CG-CG2 4.21Å; F186-V213 HydrophobicContact CZ-CB 4.41Å; F186-V213 HydrophobicContact CZ-CG1 3.55Å; F186-V213 HydrophobicContact CZ-CG2 3.94Å
187R94.6Very high96.8Very high192 Ų19246 Ų4673%0.72524%0.238SC*.G310 helixtrans-68.1-12.8179.668.6-178.8-177.2174.23.9114.5G185G185-R187 PolarHBondContact O-N 2.73Å
188G93.1Very high97Very high32 Ų3245 Ų4533%0.3323%0.231SC..G310 helixtrans-97.4-2-174.500000115.1G185 F186 Q375G185-G188 WeakPolarHBondContact O-CA 3.43Å; G185-G188 PolarHBondContact O-N 3.29Å; F186-G188 PolarHBondContact O-N 3.01Å; F186-G188 VanDerWaalsContact O-N 3.13Å; G188-Q375 WeakPolarHBondContact O-CB 3.4Å
189V96.1Very high97.1Very high20 Ų2041.5 Ų41.512%0.12122%0.215CC..SBendtrans-111.1161.6-178.8-62.60000112.3G185 F186 S191 A195 L374 Q375G185-V189 PolarHBondContact O-N 3.14Å; F186-V189 VanDerWaalsContact O-CG2 3.32Å; F186-V189 WeakPolarHBondContact O-CG2 3.3Å; F186-V189 PolarHBondContact O-N 2.9Å; V189-S191 PolarHBondContact O-N 2.84Å; V189-A195 HydrophobicContact CG2-CB 3.52Å; V189-L374 HydrophobicContact CG1-CB 3.41Å; V189-L374 VanDerWaalsContact CG1-CB 3.41Å; V189-L374 HydrophobicContact CG1-CD1 4.13Å; V189-L374 HydrophobicContact CG1-CG 4.42Å; V189-Q375 HydrophobicContact CG1-CB 4.26Å
190S95.4Very high97.2Very high97 Ų9736.9 Ų36.968%0.67820%0.195SC*.SBendtrans-78.2-11.2-171.357.10000115.7
191S96.5Very high97.3Very high49 Ų4935.5 Ų35.534%0.34319%0.189SC..  trans-157.1157.6178.971.50000112.8V189 E193 S194 A195V189-S191 PolarHBondContact O-N 2.84Å; S191-E193 PolarHBondContact O-N 2.79Å; S191-S194 PolarHBondContact O-N 2.91Å; S191-S194 VanDerWaalsContact O-N 3.11Å; S191-S194 WeakPolarHBondContact OG-CB 3.39Å; S191-S194 PolarHBondContact OG-N 3.04Å; S191-S194 PolarHBondContact OG-OG 3.29Å; S191-A195 PolarHBondContact O-N 3.33Å
192I97.7Very high97.3Very high118 Ų11835.5 Ų35.561%0.60519%0.189SC*.Hα-helixtrans-55.6-40.8172.7-65.4172.9000110.9F186 A195 A196 V213F186-I192 HydrophobicContact CE2-CG1 4.2Å; F186-I192 HydrophobicContact CZ-CG1 4.36Å; I192-A195 WeakPolarHBondContact O-CB 3.33Å; I192-A195 PolarHBondContact O-N 3.02Å; I192-A196 WeakPolarHBondContact O-CB 3.48Å; I192-A196 PolarHBondContact O-N 2.92Å; I192-V213 HydrophobicContact CG2-CG1 4.03Å
193E97.1Very high97.3Very high64 Ų6434.6 Ų34.630%0.29919%0.185SC..Hα-helixtrans-65.7-41.1177.6-178.1173.2173.400111.9Y56 K60 S191 A195 A196 I197Y56-E193 WeakPolarHBondContact OH-CG 3.16Å; Y56-E193 PolarHBondContact OH-OE1 3.33Å; K60-E193 IonicContact NZ-OE1 3.69Å; K60-E193 PolarHBondContact NZ-OE1 2.9Å; K60-E193 IonicContact NZ-OE2 3.55Å; K60-E193 PolarHBondContact NZ-OE2 2.8Å; S191-E193 PolarHBondContact O-N 2.79Å; E193-A195 VanDerWaalsContact C-N 3.28Å; E193-A195 PolarHBondContact O-N 2.87Å; E193-A196 PolarHBondContact O-N 2.9Å; E193-I197 HydrophobicContact CG-CD1 3.7Å; E193-I197 HydrophobicContact CG-CG1 4.33Å; E193-I197 WeakPolarHBondContact O-CD1 3.25Å; E193-I197 VanDerWaalsContact O-CG1 3.24Å; E193-I197 WeakPolarHBondContact O-CG1 3.42Å; E193-I197 PolarHBondContact O-N 3.44Å
194S97.6Very high97.4Very high26 Ų2634.8 Ų34.818%0.18219%0.187CC..Hα-helixtrans-63.9-36176.1-550000111.7Y149 S191 G198Y149-S194 WeakPolarHBondContact CE1-O 3.4Å; Y149-S194 PolarHBondContact OH-O 3.49Å; S191-S194 PolarHBondContact O-N 2.91Å; S191-S194 VanDerWaalsContact O-N 3.11Å; S191-S194 WeakPolarHBondContact OG-CB 3.39Å; S191-S194 PolarHBondContact OG-N 3.04Å; S191-S194 PolarHBondContact OG-OG 3.29Å; S194-G198 PolarHBondContact O-N 2.97Å
195A98.4Very high97.4Very high0 Ų033.9 Ų33.90%018%0.183CC..Hα-helixtrans-68-43.2175.700000111.5F186 V189 S191 I192 E193 G199 V213F186-A195 HydrophobicContact CB-CB 4.33Å; F186-A195 HydrophobicContact CD2-CB 3.22Å; F186-A195 HydrophobicContact CE2-CB 3.71Å; F186-A195 HydrophobicContact CG-CB 3.92Å; V189-A195 HydrophobicContact CG2-CB 3.52Å; S191-A195 PolarHBondContact O-N 3.33Å; I192-A195 WeakPolarHBondContact O-CB 3.33Å; I192-A195 PolarHBondContact O-N 3.02Å; E193-A195 VanDerWaalsContact C-N 3.28Å; E193-A195 PolarHBondContact O-N 2.87Å; A195-G199 WeakPolarHBondContact O-CA 3.33Å; A195-G199 PolarHBondContact O-N 3.44Å; A195-V213 HydrophobicContact CB-CG2 3.75Å
196A98.6Very high97.5Very high9 Ų934 Ų347%0.07418%0.183CC..Hα-helixtrans-62.2-50.1177.400000111.7I192 E193 T200 V213 F217I192-A196 WeakPolarHBondContact O-CB 3.48Å; I192-A196 PolarHBondContact O-N 2.92Å; E193-A196 PolarHBondContact O-N 2.9Å; A196-T200 WeakPolarHBondContact O-CB 3.3Å; A196-T200 PolarHBondContact O-N 3.24Å; A196-T200 VanDerWaalsContact O-N 3.08Å; A196-T200 PolarHBondContact O-OG1 2.84Å; A196-V213 HydrophobicContact CB-CB 4.17Å; A196-V213 HydrophobicContact CB-CG2 4.33Å; A196-F217 HydrophobicContact CB-CB 3.96Å; A196-F217 HydrophobicContact CB-CD2 3.65Å; A196-F217 HydrophobicContact CB-CE2 4.38Å; A196-F217 HydrophobicContact CB-CG 4.05Å
197I98.5Very high97.6Very high15 Ų1532.6 Ų32.68%0.07718%0.177CC..Hα-helixtrans-63.9-50.4179.2-63.3162.4000110.8Y56 Y149 P150 E193 A201 F217Y56-I197 HydrophobicContact CD1-CD1 4.29Å; Y56-I197 HydrophobicContact CD1-CG1 4.16Å; Y56-I197 HydrophobicContact CE1-CD1 3.56Å; Y56-I197 HydrophobicContact CE1-CG1 3.75Å; Y149-I197 HydrophobicContact CD1-CB 4.16Å; Y149-I197 HydrophobicContact CD1-CG2 3.62Å; Y149-I197 HydrophobicContact CE1-CB 3.97Å; Y149-I197 HydrophobicContact CE1-CG2 3.87Å; P150-I197 HydrophobicContact CB-CG2 3.69Å; P150-I197 HydrophobicContact CG-CG2 3.83Å; E193-I197 HydrophobicContact CG-CD1 3.7Å; E193-I197 HydrophobicContact CG-CG1 4.33Å; E193-I197 WeakPolarHBondContact O-CD1 3.25Å; E193-I197 VanDerWaalsContact O-CG1 3.24Å; E193-I197 WeakPolarHBondContact O-CG1 3.42Å; E193-I197 PolarHBondContact O-N 3.44Å; I197-A201 WeakPolarHBondContact O-CB 3.46Å; I197-A201 PolarHBondContact O-N 3.04Å; I197-F217 HydrophobicContact CB-CZ 4.35Å; I197-F217 HydrophobicContact CG1-CE2 3.69Å; I197-F217 HydrophobicContact CG1-CZ 3.65Å
198G98.5Very high97.7Very high0 Ų023.5 Ų23.50%014%0.143CC..Hα-helixtrans-65.5-48-177.300000112.2V153 S194 T200 A201 H202 L374V153-G198 VanDerWaalsContact CG1-O 3.3Å; V153-G198 WeakPolarHBondContact CG1-O 3.42Å; S194-G198 PolarHBondContact O-N 2.97Å; G198-T200 PolarHBondContact O-N 2.64Å; G198-A201 WeakPolarHBondContact O-CB 3.48Å; G198-A201 PolarHBondContact O-N 2.65Å; G198-A201 VanDerWaalsContact O-N 3.15Å; G198-H202 PolarHBondContact O-N 2.86Å; G198-L374 VanDerWaalsContact C-CD2 3.47Å
199G98.5Very high98Very high0 Ų022.2 Ų22.20%013%0.129CC..Hα-helixtrans-60.6-42.917800000112.1D183 A195 A201 H202 L203D183-G199 WeakPolarHBondContact OD2-CA 3.28Å; A195-G199 WeakPolarHBondContact O-CA 3.33Å; A195-G199 PolarHBondContact O-N 3.44Å; G199-A201 PolarHBondContact O-N 3.5Å; G199-H202 WeakPolarHBondContact O-CB 3.38Å; G199-H202 PolarHBondContact O-N 2.96Å; G199-L203 WeakPolarHBondContact O-CG 3.39Å; G199-L203 PolarHBondContact O-N 3.01Å; G199-L203 VanDerWaalsContact O-N 3.09Å
200T98.8Very high98Very high0 Ų024.3 Ų24.30%014%0.139CC..Hα-helixtrans-67.2-35.7175.1-54.50000112.3F52 A196 G198 H202 L203 V204 A214 F217 A218 Y222F52-T200 HydrophobicContact CE1-CG2 4.45Å; F52-T200 HydrophobicContact CZ-CG2 3.94Å; A196-T200 WeakPolarHBondContact O-CB 3.3Å; A196-T200 PolarHBondContact O-N 3.24Å; A196-T200 VanDerWaalsContact O-N 3.08Å; A196-T200 PolarHBondContact O-OG1 2.84Å; G198-T200 PolarHBondContact O-N 2.64Å; T200-H202 VanDerWaalsContact C-N 3.32Å; T200-H202 PolarHBondContact O-N 3.29Å; T200-L203 WeakPolarHBondContact O-CB 3.26Å; T200-L203 PolarHBondContact O-N 2.7Å; T200-L203 VanDerWaalsContact O-N 3.15Å; T200-V204 PolarHBondContact O-N 2.79Å; T200-A214 WeakPolarHBondContact OG1-CA 3.32Å; T200-A214 PolarHBondContact OG1-O 3.4Å; T200-F217 HydrophobicContact CG2-CD1 4.05Å; T200-F217 VanDerWaalsContact OG1-CD1 3.29Å; T200-F217 WeakPolarHBondContact OG1-CD1 3.42Å; T200-A218 HydrophobicContact CG2-CB 3.9Å; T200-Y222 HydrophobicContact CG2-CD2 4.32Å
201A98.8Very high98.1Very high0 Ų019.7 Ų19.70%011%0.107CC..Hα-helixtrans-63.7-36.7174.500000112.6F52 P150 V153 A154 I197 G198 G199 L203 V204F52-A201 HydrophobicContact CD1-CB 3.68Å; F52-A201 VanDerWaalsContact CE1-CA 3.44Å; F52-A201 HydrophobicContact CE1-CB 3.75Å; P150-A201 HydrophobicContact CB-CB 4.06Å; P150-A201 WeakPolarHBondContact O-CB 3.29Å; V153-A201 HydrophobicContact CB-CB 3.87Å; V153-A201 HydrophobicContact CG1-CB 3.9Å; A154-A201 HydrophobicContact CB-CB 4.28Å; I197-A201 WeakPolarHBondContact O-CB 3.46Å; I197-A201 PolarHBondContact O-N 3.04Å; G198-A201 WeakPolarHBondContact O-CB 3.48Å; G198-A201 PolarHBondContact O-N 2.65Å; G198-A201 VanDerWaalsContact O-N 3.15Å; G199-A201 PolarHBondContact O-N 3.5Å; A201-L203 VanDerWaalsContact C-N 3.34Å; A201-V204 WeakPolarHBondContact O-CB 3.3Å; A201-V204 PolarHBondContact O-N 3.1Å
202H98.7Very high98.2Very high0 Ų023.3 Ų23.30%012%0.122CC..Hα-helixtrans-62-42.5170.9170.772.2000111.8V153 S157 L181 D183 G198 G199 T200 V204 N205 F206 G208 L373V153-H202 HydrophobicContact CG1-CB 4.38Å; S157-H202 PolarHBondContact OG-ND1 3.38Å; S157-H202 VanDerWaalsContact OG-ND1 3.1Å; L181-H202 PolarHBondContact O-NE2 2.74Å; D183-H202 VanDerWaalsContact CB-CD2 3.49Å; D183-H202 WeakPolarHBondContact CB-CD2 3.46Å; G198-H202 PolarHBondContact O-N 2.86Å; G199-H202 WeakPolarHBondContact O-CB 3.38Å; G199-H202 PolarHBondContact O-N 2.96Å; T200-H202 VanDerWaalsContact C-N 3.32Å; T200-H202 PolarHBondContact O-N 3.29Å; H202-V204 PolarHBondContact O-N 3.45Å; H202-N205 PolarHBondContact O-N 3.37Å; H202-F206 AromaticContact CE1-CD2 3.29Å; H202-F206 WeakPolarHBondContact CE1-CD2 3.36Å; H202-F206 AromaticContact CE1-CG 3.77Å; H202-F206 AromaticContact ND1-CD2 3.78Å; H202-F206 PolarHBondContact O-N 3.34Å; H202-G208 PolarHBondContact NE2-O 2.99Å; H202-L373 HydrophobicContact CB-CD2 4.37Å
203L98.7Very high98.2Very high0 Ų018.6 Ų18.60%010%0.099CC..THydrogen-bonded Turntrans-64.2-9.2178.6-67.2175.3000114.1G199 T200 A201 N205 F206 T209 A214 L215 A227 R462G199-L203 WeakPolarHBondContact O-CG 3.39Å; G199-L203 PolarHBondContact O-N 3.01Å; G199-L203 VanDerWaalsContact O-N 3.09Å; T200-L203 WeakPolarHBondContact O-CB 3.26Å; T200-L203 PolarHBondContact O-N 2.7Å; T200-L203 VanDerWaalsContact O-N 3.15Å; A201-L203 VanDerWaalsContact C-N 3.34Å; L203-N205 PolarHBondContact O-N 3.48Å; L203-F206 CarbonylContact C-O 3.45Å; L203-F206 VanDerWaalsContact CA-O 3.24Å; L203-F206 WeakPolarHBondContact CA-O 3.28Å; L203-T209 HydrophobicContact CD1-CG2 4.08Å; L203-T209 HydrophobicContact CD2-CG2 3.93Å; L203-T209 HydrophobicContact CG-CG2 4.41Å; L203-A214 HydrophobicContact CD1-CB 4.08Å; L203-L215 HydrophobicContact CD1-CD2 4.29Å; L203-A227 HydrophobicContact CD1-CB 3.73Å; L203-R462 PolarHBondContact O-NE 2.8Å; L203-R462 PolarHBondContact O-NH2 3.31Å
204V98.6Very high98.2Very high4 Ų415.6 Ų15.62%0.0248%0.084CC..THydrogen-bonded Turntrans-62.7-33.3168173.50000111.4V50 F52 T200 A201 H202 L458 I461 I465V50-V204 HydrophobicContact CG1-CG1 4.27Å; F52-V204 HydrophobicContact CD1-CG2 4.07Å; F52-V204 HydrophobicContact CD2-CG2 3.67Å; F52-V204 HydrophobicContact CE1-CG2 4.15Å; F52-V204 HydrophobicContact CE2-CG2 3.74Å; F52-V204 HydrophobicContact CG-CG2 3.86Å; F52-V204 HydrophobicContact CZ-CG2 4Å; T200-V204 PolarHBondContact O-N 2.79Å; A201-V204 WeakPolarHBondContact O-CB 3.3Å; A201-V204 PolarHBondContact O-N 3.1Å; H202-V204 PolarHBondContact O-N 3.45Å; V204-L458 HydrophobicContact CG2-CD1 4.28Å; V204-I461 HydrophobicContact CG1-CG2 4.1Å; V204-I461 HydrophobicContact CG2-CG2 4.17Å; V204-I465 HydrophobicContact CG1-CB 4.39Å; V204-I465 HydrophobicContact CG1-CG2 3.83Å
205N98.3Very high98.3Very high8 Ų816 Ų164%0.0439%0.085CC..THydrogen-bonded Turntrans-107.3-23.2-176.1-69.4-86.1000114A154 R158 K161 H202 L203A154-N205 PolarHBondContact O-ND2 2.75Å; R158-N205 WeakPolarHBondContact CA-OD1 3.38Å; R158-N205 VanDerWaalsContact CB-OD1 3.32Å; R158-N205 WeakPolarHBondContact CB-OD1 3.46Å; K161-N205 HydrophobicContact CD-CB 4.26Å; K161-N205 WeakPolarHBondContact CD-O 3.4Å; K161-N205 PolarHBondContact NZ-O 2.94Å; H202-N205 PolarHBondContact O-N 3.37Å; L203-N205 PolarHBondContact O-N 3.48Å
206F98.3Very high98.3Very high1 Ų121.6 Ų21.60%0.00411%0.114CC..  trans-133.4176.2-176.5-65.2-80.2000111.6S157 K161 I164 T177 L181 H202 L203 R462S157-F206 WeakPolarHBondContact O-CE2 3.15Å; K161-F206 HydrophobicContact CB-CE1 4.21Å; K161-F206 HydrophobicContact CB-CE2 3.9Å; K161-F206 HydrophobicContact CB-CZ 3.44Å; K161-F206 VanDerWaalsContact CB-CZ 3.44Å; K161-F206 HydrophobicContact CD-CE1 4.26Å; K161-F206 HydrophobicContact CD-CZ 4.18Å; K161-F206 HydrophobicContact CG-CE1 3.95Å; K161-F206 HydrophobicContact CG-CE2 4.42Å; K161-F206 HydrophobicContact CG-CZ 3.7Å; I164-F206 HydrophobicContact CD1-CE1 4.49Å; I164-F206 HydrophobicContact CD1-CZ 4.25Å; T177-F206 VanDerWaalsContact O-CD1 3.29Å; T177-F206 WeakPolarHBondContact O-CD1 3.39Å; T177-F206 WeakPolarHBondContact O-CE1 3.45Å; L181-F206 HydrophobicContact CB-CD1 4.07Å; L181-F206 HydrophobicContact CB-CD2 4.23Å; L181-F206 HydrophobicContact CB-CE1 3.74Å; L181-F206 HydrophobicContact CB-CE2 3.89Å; L181-F206 HydrophobicContact CB-CG 4.29Å; L181-F206 HydrophobicContact CB-CZ 3.62Å; L181-F206 HydrophobicContact CD2-CD2 4.35Å; L181-F206 HydrophobicContact CD2-CE2 3.75Å; L181-F206 HydrophobicContact CD2-CZ 4.1Å; L181-F206 HydrophobicContact CG-CE2 4.39Å; H202-F206 AromaticContact CE1-CD2 3.29Å; H202-F206 WeakPolarHBondContact CE1-CD2 3.36Å; H202-F206 AromaticContact CE1-CG 3.77Å; H202-F206 AromaticContact ND1-CD2 3.78Å; H202-F206 PolarHBondContact O-N 3.34Å; L203-F206 CarbonylContact C-O 3.45Å; L203-F206 VanDerWaalsContact CA-O 3.24Å; L203-F206 WeakPolarHBondContact CA-O 3.28Å; F206-R462 PolarHBondContact O-NH2 2.92Å; F206-R462 VanDerWaalsContact O-NH2 3.12Å
207K98.2Very high98.3Very high50 Ų5021.8 Ų21.822%0.21711%0.113CC..  trans-126.6-4.5178.3-67.3-175.8-178166.20113.6E178 F179 G228 F229E178-K207 HydrophobicContact CB-CB 4.3Å; E178-K207 HydrophobicContact CB-CD 4.16Å; E178-K207 HydrophobicContact CB-CG 4.27Å; E178-K207 HydrophobicContact CG-CD 4.39Å; E178-K207 PolarHBondContact O-N 3.32Å; E178-K207 WeakPolarHBondContact OE1-CE 3.24Å; E178-K207 IonicContact OE1-NZ 3.17Å; E178-K207 PolarHBondContact OE1-NZ 2.78Å; E178-K207 WeakPolarHBondContact OE2-CD 3.07Å; E178-K207 IonicContact OE2-NZ 3.14Å; E178-K207 PolarHBondContact OE2-NZ 2.65Å; E178-K207 VanDerWaalsContact OE2-NZ 3.09Å; F179-K207 HydrophobicContact CD1-CB 4.17Å; F179-K207 HydrophobicContact CE1-CB 3.5Å; F179-K207 HydrophobicContact CE2-CB 4.49Å; F179-K207 HydrophobicContact CZ-CB 3.71Å; F179-K207 HydrophobicContact CZ-CD 4.32Å; K207-G228 CarbonylContact O-C 3.47Å; K207-G228 WeakPolarHBondContact O-CA 3.44Å; K207-F229 HydrophobicContact CB-CD2 4.22Å; K207-F229 HydrophobicContact CD-CE2 4.38Å; K207-F229 PolarHBondContact O-N 3.26Å
208G98.2Very high98.3Very high0 Ų021.1 Ų21.10%011%0.109CC..EExtended strand (participates in β ladder)trans-87.5122.7176.500000112.7H182 D183 H202H182-G208 WeakPolarHBondContact ND1-CA 3.44Å; D183-G208 PolarHBondContact N-O 3.42Å; H202-G208 PolarHBondContact NE2-O 2.99Å
209T98.4Very high98.3Very high6 Ų628 Ų284%0.03714%0.136CC..EExtended strand (participates in β ladder)trans-156.4142.3173.4-175.50000111.8H182 D183 L203 S211 L215 F229H182-T209 PolarHBondContact CD2-N 3.29Å; H182-T209 PolarHBondContact CE1-N 2.91Å; H182-T209 WeakPolarHBondContact NE2-CA 3.48Å; H182-T209 PolarHBondContact NE2-N 2.95Å; D183-T209 PolarHBondContact OD2-OG1 3.1Å; L203-T209 HydrophobicContact CD1-CG2 4.08Å; L203-T209 HydrophobicContact CD2-CG2 3.93Å; L203-T209 HydrophobicContact CG-CG2 4.41Å; T209-S211 WeakPolarHBondContact OG1-CB 3.36Å; T209-S211 PolarHBondContact OG1-N 3.44Å; T209-L215 HydrophobicContact CG2-CD2 4.17Å; T209-F229 PolarHBondContact N-O 3.23Å; T209-F229 VanDerWaalsContact N-O 3.11Å
210D97Very high98.3Very high63 Ų6334.8 Ų34.834%0.33717%0.165SC..  trans-99.1-4.2165.8-70-7.1000111.9H182 D183 F184 L212 S230H182-D210 IonicContact CD2-OD1 3.06Å; H182-D210 IonicContact CE1-OD1 2.65Å; H182-D210 IonicContact NE2-OD1 2.78Å; H182-D210 PolarHBondContact NE2-OD1 3.18Å; D183-D210 PolarHBondContact O-N 2.89Å; F184-D210 HydrophobicContact CD1-CB 4.26Å; F184-D210 WeakPolarHBondContact CD1-OD2 3.35Å; F184-D210 WeakPolarHBondContact CE1-OD2 3.37Å; D210-L212 PolarHBondContact O-N 3.23Å; D210-S230 VanDerWaalsContact OD1-CB 3.25Å; D210-S230 WeakPolarHBondContact OD1-CB 3.32Å; D210-S230 PolarHBondContact OD1-OG 3.45Å
211S96.7Very high98.2Very high1 Ų136.1 Ų36.11%0.00717%0.17CC..  trans-78.482177.9-56.30000110.5D183 T209 V213 A214D183-S211 WeakPolarHBondContact OD2-CB 3.38Å; D183-S211 PolarHBondContact OD2-OG 2.8Å; T209-S211 WeakPolarHBondContact OG1-CB 3.36Å; T209-S211 PolarHBondContact OG1-N 3.44Å; S211-V213 PolarHBondContact O-N 2.99Å; S211-A214 WeakPolarHBondContact O-CB 3.43Å; S211-A214 PolarHBondContact O-N 3.1Å
212L97.7Very high98.2Very high125 Ų12536.1 Ų36.165%0.65417%0.17SC*.Hα-helixtrans-51.1-31.9178.4-73.4176.8000113.8D210 A214 L215 L216D210-L212 PolarHBondContact O-N 3.23Å; L212-A214 PolarHBondContact O-N 2.99Å; L212-L215 HydrophobicContact CD2-CD1 3.99Å; L212-L215 WeakPolarHBondContact O-CB 3.31Å; L212-L215 PolarHBondContact O-N 3.28Å; L212-L216 PolarHBondContact O-N 2.88Å
213V98.1Very high98.2Very high19 Ų1940.1 Ų40.112%0.11519%0.192CC..Hα-helixtrans-61.1-28176.6-66.60000113.1F186 I192 A195 A196 S211 L215 L216 F217F186-V213 HydrophobicContact CD1-CG2 3.95Å; F186-V213 HydrophobicContact CD2-CG2 4.29Å; F186-V213 HydrophobicContact CE1-CB 4.35Å; F186-V213 HydrophobicContact CE1-CG1 3.59Å; F186-V213 HydrophobicContact CE1-CG2 3.81Å; F186-V213 HydrophobicContact CE2-CG1 4.43Å; F186-V213 HydrophobicContact CE2-CG2 4.18Å; F186-V213 HydrophobicContact CG-CG2 4.21Å; F186-V213 HydrophobicContact CZ-CB 4.41Å; F186-V213 HydrophobicContact CZ-CG1 3.55Å; F186-V213 HydrophobicContact CZ-CG2 3.94Å; I192-V213 HydrophobicContact CG2-CG1 4.03Å; A195-V213 HydrophobicContact CB-CG2 3.75Å; A196-V213 HydrophobicContact CB-CB 4.17Å; A196-V213 HydrophobicContact CB-CG2 4.33Å; S211-V213 PolarHBondContact O-N 2.99Å; V213-L215 VanDerWaalsContact C-N 3.32Å; V213-L216 PolarHBondContact O-N 2.93Å; V213-F217 VanDerWaalsContact O-CB 3.27Å; V213-F217 WeakPolarHBondContact O-CB 3.25Å; V213-F217 PolarHBondContact O-N 2.97Å
214A98.4Very high98.2Very high0 Ų040.3 Ų40.30%019%0.193CC..Hα-helixtrans-67.5-32.6172.900000112.2T200 L203 S211 L212 A218T200-A214 WeakPolarHBondContact OG1-CA 3.32Å; T200-A214 PolarHBondContact OG1-O 3.4Å; L203-A214 HydrophobicContact CD1-CB 4.08Å; S211-A214 WeakPolarHBondContact O-CB 3.43Å; S211-A214 PolarHBondContact O-N 3.1Å; L212-A214 PolarHBondContact O-N 2.99Å; A214-A218 VanDerWaalsContact O-CB 3.31Å; A214-A218 WeakPolarHBondContact O-CB 3.22Å; A214-A218 PolarHBondContact O-N 2.92Å
215L98.5Very high98Very high36 Ų3644.3 Ų44.319%0.18822%0.219CC..Hα-helixtrans-70.8-45176.2-53.5-175.1000110.9L203 T209 L212 V213 F217 A218 R219 A227 G228L203-L215 HydrophobicContact CD1-CD2 4.29Å; T209-L215 HydrophobicContact CG2-CD2 4.17Å; L212-L215 HydrophobicContact CD2-CD1 3.99Å; L212-L215 WeakPolarHBondContact O-CB 3.31Å; L212-L215 PolarHBondContact O-N 3.28Å; V213-L215 VanDerWaalsContact C-N 3.32Å; L215-F217 VanDerWaalsContact C-N 3.27Å; L215-F217 PolarHBondContact O-N 3.31Å; L215-A218 PolarHBondContact O-N 3.13Å; L215-R219 WeakPolarHBondContact O-CB 3.33Å; L215-R219 PolarHBondContact O-N 3.29Å; L215-A227 HydrophobicContact CD2-CB 4.16Å; L215-G228 WeakPolarHBondContact CD2-O 3.4Å
216L98.4Very high98Very high116 Ų11647.1 Ų47.161%0.60724%0.237SC*.Hα-helixtrans-59.4-42.6175.9-60.9-179.4000111L212 V213 R219 K220L212-L216 PolarHBondContact O-N 2.88Å; V213-L216 PolarHBondContact O-N 2.93Å; L216-R219 PolarHBondContact O-N 3.28Å; L216-K220 WeakPolarHBondContact O-CB 3.26Å; L216-K220 PolarHBondContact O-N 3.4Å
217F98.6Very high97.9Very high14 Ų1447.1 Ų47.16%0.06124%0.236CC..Hα-helixtrans-66.8-47.8179.5-170.3-86.8000112.6Y56 A196 I197 T200 V213 L215 R219 K220 Y221 Y222Y56-F217 HydrophobicContact CD1-CE2 4.15Å; Y56-F217 AromaticContact CD1-CZ 3.65Å; Y56-F217 HydrophobicContact CD1-CZ 3.65Å; Y56-F217 HydrophobicContact CD2-CD2 4.45Å; Y56-F217 HydrophobicContact CD2-CE1 4.26Å; Y56-F217 AromaticContact CD2-CE2 3.36Å; Y56-F217 HydrophobicContact CD2-CE2 3.36Å; Y56-F217 AromaticContact CD2-CZ 3.25Å; Y56-F217 HydrophobicContact CD2-CZ 3.25Å; Y56-F217 HydrophobicContact CE1-CE2 4.08Å; Y56-F217 HydrophobicContact CE1-CZ 4.03Å; Y56-F217 HydrophobicContact CE2-CD2 4.31Å; Y56-F217 AromaticContact CE2-CE2 3.27Å; Y56-F217 HydrophobicContact CE2-CE2 3.27Å; Y56-F217 AromaticContact CE2-CZ 3.67Å; Y56-F217 HydrophobicContact CE2-CZ 3.67Å; Y56-F217 HydrophobicContact CG-CE1 4.15Å; Y56-F217 AromaticContact CG-CE2 3.79Å; Y56-F217 HydrophobicContact CG-CE2 3.79Å; Y56-F217 AromaticContact CG-CZ 3.21Å; Y56-F217 HydrophobicContact CG-CZ 3.21Å; Y56-F217 AromaticContact CZ-CE2 3.62Å; A196-F217 HydrophobicContact CB-CB 3.96Å; A196-F217 HydrophobicContact CB-CD2 3.65Å; A196-F217 HydrophobicContact CB-CE2 4.38Å; A196-F217 HydrophobicContact CB-CG 4.05Å; I197-F217 HydrophobicContact CB-CZ 4.35Å; I197-F217 HydrophobicContact CG1-CE2 3.69Å; I197-F217 HydrophobicContact CG1-CZ 3.65Å; T200-F217 HydrophobicContact CG2-CD1 4.05Å; T200-F217 VanDerWaalsContact OG1-CD1 3.29Å; T200-F217 WeakPolarHBondContact OG1-CD1 3.42Å; V213-F217 VanDerWaalsContact O-CB 3.27Å; V213-F217 WeakPolarHBondContact O-CB 3.25Å; V213-F217 PolarHBondContact O-N 2.97Å; L215-F217 VanDerWaalsContact C-N 3.27Å; L215-F217 PolarHBondContact O-N 3.31Å; F217-R219 VanDerWaalsContact C-N 3.31Å; F217-R219 PolarHBondContact O-N 3.27Å; F217-K220 PolarHBondContact O-N 2.92Å; F217-Y221 HydrophobicContact CD1-CD2 4.17Å; F217-Y221 AromaticContact CD2-CD2 3.69Å; F217-Y221 HydrophobicContact CD2-CD2 3.69Å; F217-Y221 AromaticContact CD2-CE2 3.83Å; F217-Y221 HydrophobicContact CD2-CE2 3.83Å; F217-Y221 HydrophobicContact CE1-CD2 4.27Å; F217-Y221 AromaticContact CE2-CD2 3.79Å; F217-Y221 HydrophobicContact CE2-CD2 3.79Å; F217-Y221 AromaticContact CE2-CE2 3.89Å; F217-Y221 HydrophobicContact CE2-CE2 3.89Å; F217-Y221 AromaticContact CG-CD2 3.91Å; F217-Y221 HydrophobicContact CG-CD2 3.91Å; F217-Y221 HydrophobicContact CG-CE2 4.46Å; F217-Y221 HydrophobicContact CZ-CD2 4.09Å; F217-Y221 PolarHBondContact O-N 2.79Å; F217-Y222 HydrophobicContact CD1-CE2 4.35Å; F217-Y222 HydrophobicContact CE1-CD2 4.44Å; F217-Y222 AromaticContact CE1-CE2 3.85Å; F217-Y222 HydrophobicContact CE1-CE2 3.85Å
218A98.6Very high97.9Very high0 Ų044.8 Ų44.80%023%0.227CC..Hα-helixtrans-61.2-39.1176.100000112.3T200 A214 L215 Y222 N223 C224 A227 L458T200-A218 HydrophobicContact CG2-CB 3.9Å; A214-A218 VanDerWaalsContact O-CB 3.31Å; A214-A218 WeakPolarHBondContact O-CB 3.22Å; A214-A218 PolarHBondContact O-N 2.92Å; L215-A218 PolarHBondContact O-N 3.13Å; A218-Y222 CarbonylContact O-C 3.5Å; A218-Y222 VanDerWaalsContact O-C 3.23Å; A218-Y222 VanDerWaalsContact O-CA 3.32Å; A218-Y222 WeakPolarHBondContact O-CA 3.5Å; A218-Y222 WeakPolarHBondContact O-CB 3.4Å; A218-Y222 PolarHBondContact O-N 2.9Å; A218-N223 PolarHBondContact O-N 3.15Å; A218-C224 HydrophobicContact CB-CB 4.26Å; A218-C224 PolarHBondContact O-N 2.61Å; A218-A227 HydrophobicContact CB-CB 3.38Å; A218-L458 HydrophobicContact CB-CD2 4.21Å
219R98.3Very high97.9Very high146 Ų14649.7 Ų49.755%0.55125%0.248SC*.Hα-helixtrans-63-46175.3-174.4179.4-69.2-168.2-1.5111.8L215 L216 F217 C224 P225L215-R219 WeakPolarHBondContact O-CB 3.33Å; L215-R219 PolarHBondContact O-N 3.29Å; L216-R219 PolarHBondContact O-N 3.28Å; F217-R219 VanDerWaalsContact C-N 3.31Å; F217-R219 PolarHBondContact O-N 3.27Å; R219-C224 WeakPolarHBondContact CA-O 3.3Å; R219-C224 PolarHBondContact N-O 3.41Å; R219-P225 PolarHBondContact NE-O 3.09Å; R219-P225 PolarHBondContact NH2-O 3.17Å
220K98.1Very high97.9Very high141 Ų14152.3 Ų52.361%0.61327%0.267SS*.Hα-helixtrans-72.6-45.6-177.3-179.3172.8178.4-179.80113.1L216 F217L216-K220 WeakPolarHBondContact O-CB 3.26Å; L216-K220 PolarHBondContact O-N 3.4Å; F217-K220 PolarHBondContact O-N 2.92Å
221Y98.5Very high97.9Very high28 Ų2852.4 Ų52.411%0.1127%0.267CS..Hα-helixtrans-102.6-19.1-168.1-65.2-70.1000114.2Q55 Y56 K59 K60 F217Q55-Y221 PolarHBondContact NE2-O 2.85Å; Y56-Y221 AromaticContact CD2-CD1 3.79Å; Y56-Y221 HydrophobicContact CD2-CD1 3.79Å; Y56-Y221 AromaticContact CD2-CD2 3.56Å; Y56-Y221 HydrophobicContact CD2-CD2 3.56Å; Y56-Y221 AromaticContact CD2-CE1 3.77Å; Y56-Y221 HydrophobicContact CD2-CE1 3.77Å; Y56-Y221 AromaticContact CD2-CE2 3.51Å; Y56-Y221 HydrophobicContact CD2-CE2 3.51Å; Y56-Y221 AromaticContact CD2-CG 3.7Å; Y56-Y221 HydrophobicContact CD2-CG 3.7Å; Y56-Y221 AromaticContact CD2-CZ 3.62Å; Y56-Y221 AromaticContact CE2-CD2 3.99Å; Y56-Y221 HydrophobicContact CE2-CD2 3.99Å; Y56-Y221 HydrophobicContact CE2-CE1 4.06Å; Y56-Y221 AromaticContact CE2-CE2 3.46Å; Y56-Y221 HydrophobicContact CE2-CE2 3.46Å; Y56-Y221 VanDerWaalsContact CE2-CE2 3.46Å; Y56-Y221 HydrophobicContact CE2-CG 4.48Å; Y56-Y221 AromaticContact CE2-CZ 3.5Å; K59-Y221 HydrophobicContact CB-CD1 3.86Å; K59-Y221 HydrophobicContact CB-CE1 4.09Å; K59-Y221 HydrophobicContact CD-CD1 4.04Å; K59-Y221 PolarHBondContact NZ-O 2.83Å; K60-Y221 HydrophobicContact CB-CE1 4.48Å; F217-Y221 HydrophobicContact CD1-CD2 4.17Å; F217-Y221 AromaticContact CD2-CD2 3.69Å; F217-Y221 HydrophobicContact CD2-CD2 3.69Å; F217-Y221 AromaticContact CD2-CE2 3.83Å; F217-Y221 HydrophobicContact CD2-CE2 3.83Å; F217-Y221 HydrophobicContact CE1-CD2 4.27Å; F217-Y221 AromaticContact CE2-CD2 3.79Å; F217-Y221 HydrophobicContact CE2-CD2 3.79Å; F217-Y221 AromaticContact CE2-CE2 3.89Å; F217-Y221 HydrophobicContact CE2-CE2 3.89Å; F217-Y221 AromaticContact CG-CD2 3.91Å; F217-Y221 HydrophobicContact CG-CD2 3.91Å; F217-Y221 HydrophobicContact CG-CE2 4.46Å; F217-Y221 HydrophobicContact CZ-CD2 4.09Å; F217-Y221 PolarHBondContact O-N 2.79Å
222Y98.6Very high97.9Very high0 Ų054.7 Ų54.70%028%0.282CS..Hα-helixtrans-131.219.6-174.9-64.7-81.3000113.6F52 G53 Q55 E113 T200 F217 A218 C224 T457 L458 I461F52-Y222 HydrophobicContact CE2-CD1 4.31Å; F52-Y222 AromaticContact CE2-CE1 3.71Å; F52-Y222 HydrophobicContact CE2-CE1 3.71Å; F52-Y222 HydrophobicContact CE2-CE2 4.11Å; F52-Y222 AromaticContact CE2-CZ 3.6Å; F52-Y222 HydrophobicContact CZ-CD2 4.35Å; F52-Y222 HydrophobicContact CZ-CE1 4.18Å; F52-Y222 AromaticContact CZ-CE2 3.71Å; F52-Y222 HydrophobicContact CZ-CE2 3.71Å; F52-Y222 AromaticContact CZ-CZ 3.61Å; G53-Y222 VanDerWaalsContact CA-OH 3.28Å; G53-Y222 WeakPolarHBondContact CA-OH 3.08Å; Q55-Y222 HydrophobicContact CB-CE1 3.97Å; Q55-Y222 HydrophobicContact CG-CE1 4.28Å; E113-Y222 WeakPolarHBondContact OE2-CE1 3.14Å; E113-Y222 PolarHBondContact OE2-OH 3.19Å; T200-Y222 HydrophobicContact CG2-CD2 4.32Å; F217-Y222 HydrophobicContact CD1-CE2 4.35Å; F217-Y222 HydrophobicContact CE1-CD2 4.44Å; F217-Y222 AromaticContact CE1-CE2 3.85Å; F217-Y222 HydrophobicContact CE1-CE2 3.85Å; A218-Y222 CarbonylContact O-C 3.5Å; A218-Y222 VanDerWaalsContact O-C 3.23Å; A218-Y222 VanDerWaalsContact O-CA 3.32Å; A218-Y222 WeakPolarHBondContact O-CA 3.5Å; A218-Y222 WeakPolarHBondContact O-CB 3.4Å; A218-Y222 PolarHBondContact O-N 2.9Å; Y222-C224 PolarHBondContact O-N 3.37Å; Y222-T457 CarbonylContact O-C 3.51Å; Y222-T457 VanDerWaalsContact O-CA 3.25Å; Y222-T457 WeakPolarHBondContact O-CA 3.48Å; Y222-L458 PolarHBondContact O-N 3.02Å; Y222-I461 HydrophobicContact CD1-CD1 3.55Å; Y222-I461 HydrophobicContact CE1-CD1 3.61Å
223N98.1Very high97.9Very high85 Ų8551 Ų5146%0.45527%0.269SS..  trans48.336.5173.7-60.2-35.5000113.9A218 D455 T457A218-N223 PolarHBondContact O-N 3.15Å; N223-D455 PolarHBondContact ND2-OD2 3.42Å; N223-T457 HydrophobicContact CB-CG2 4.25Å
224C98Very high97.9Very high4 Ų450.8 Ų50.83%0.02727%0.268CS..  trans-109.7106.5-179.5-172.30000109.5A218 R219 Y222 T226 A227 L458A218-C224 HydrophobicContact CB-CB 4.26Å; A218-C224 PolarHBondContact O-N 2.61Å; R219-C224 WeakPolarHBondContact CA-O 3.3Å; R219-C224 PolarHBondContact N-O 3.41Å; Y222-C224 PolarHBondContact O-N 3.37Å; C224-T226 VanDerWaalsContact C-N 3.29Å; C224-T226 PolarHBondContact O-N 2.96Å; C224-A227 HydrophobicContact CB-CB 4.45Å; C224-A227 VanDerWaalsContact SG-CA 3.59Å; C224-L458 HydrophobicContact CB-CB 3.68Å; C224-L458 HydrophobicContact CB-CD2 4.15Å
225P95.8Very high97.7Very high87 Ų8755.6 Ų55.657%0.56529%0.29SS*.SBendtrans-55.7-42.8-176.2-28.235.7000113.4R219R219-P225 PolarHBondContact NE-O 3.09Å; R219-P225 PolarHBondContact NH2-O 3.17Å
226T96.8Very high97.6Very high68 Ų6856.9 Ų56.942%0.41730%0.295SS..  trans-141.498.8179-54.60000109.6C224 F229C224-T226 VanDerWaalsContact C-N 3.29Å; C224-T226 PolarHBondContact O-N 2.96Å; T226-F229 HydrophobicContact CG2-CD1 4.19Å; T226-F229 HydrophobicContact CG2-CE1 3.7Å; T226-F229 HydrophobicContact CG2-CZ 4.03Å
227A97.3Very high97.5Very high0 Ų054.4 Ų54.40%029%0.288CS..  trans-80.8-26.4-174.800000114.1L203 L215 A218 C224 L458 R462L203-A227 HydrophobicContact CD1-CB 3.73Å; L215-A227 HydrophobicContact CD2-CB 4.16Å; A218-A227 HydrophobicContact CB-CB 3.38Å; C224-A227 HydrophobicContact CB-CB 4.45Å; C224-A227 VanDerWaalsContact SG-CA 3.59Å; A227-L458 HydrophobicContact CB-CD2 3.49Å; A227-L458 VanDerWaalsContact CB-CD2 3.49Å; A227-R462 PolarHBondContact O-NH1 2.55Å; A227-R462 PolarHBondContact O-NH2 3.3Å
228G97.8Very high97.3Very high2 Ų255.7 Ų55.72%0.02130%0.301CS..  trans-153.3168.9-175.700000111.6K207 L215K207-G228 CarbonylContact O-C 3.47Å; K207-G228 WeakPolarHBondContact O-CA 3.44Å; L215-G228 WeakPolarHBondContact CD2-O 3.4Å
229F98.2Very high97.3Very high102 Ų10256 Ų5645%0.44730%0.302SS..BIsolated β-bridgetrans-137.1158.4-169.4-51.2-92.8000110.4F179 H182 K207 T209 T226F179-F229 HydrophobicContact CE1-CB 4Å; F179-F229 AromaticContact CE1-CD2 3.92Å; F179-F229 HydrophobicContact CE1-CD2 3.92Å; F179-F229 HydrophobicContact CE1-CG 4.36Å; F179-F229 HydrophobicContact CZ-CB 4.47Å; F179-F229 AromaticContact CZ-CD2 3.86Å; F179-F229 HydrophobicContact CZ-CD2 3.86Å; F179-F229 HydrophobicContact CZ-CG 4.44Å; H182-F229 PolarHBondContact CE1-O 3Å; K207-F229 HydrophobicContact CB-CD2 4.22Å; K207-F229 HydrophobicContact CD-CE2 4.38Å; K207-F229 PolarHBondContact O-N 3.26Å; T209-F229 PolarHBondContact N-O 3.23Å; T209-F229 VanDerWaalsContact N-O 3.11Å; T226-F229 HydrophobicContact CG2-CD1 4.19Å; T226-F229 HydrophobicContact CG2-CE1 3.7Å; T226-F229 HydrophobicContact CG2-CZ 4.03Å
230S97.6Very high97.2Very high61 Ų6151.7 Ų51.743%0.42729%0.292SS..  trans-143175.2171.7-167.70000110.4D210D210-S230 VanDerWaalsContact OD1-CB 3.25Å; D210-S230 WeakPolarHBondContact OD1-CB 3.32Å; D210-S230 PolarHBondContact OD1-OG 3.45Å
231I97.1Very high97.2Very high65 Ų6550.6 Ų50.633%0.33330%0.297SS..  trans-122.1162.4175.657.9173.9000108.6A233 T262 A264 V296I231-A233 PolarHBondContact O-N 2.94Å; I231-T262 WeakPolarHBondContact CB-O 3.43Å; I231-T262 HydrophobicContact CD1-CG2 3.75Å; I231-T262 HydrophobicContact CG2-CG2 4.32Å; I231-A264 HydrophobicContact CD1-CB 3.95Å; I231-V296 HydrophobicContact CD1-CG2 4.45Å
232P98.1Very high97.2Very high50 Ų5054.1 Ų54.133%0.32531%0.31SS..  trans-54126.8164.2-2333.8000110.3Y258 F263 A264P232-Y258 HydrophobicContact CB-CD1 4.14Å; P232-Y258 HydrophobicContact CB-CD2 4.16Å; P232-Y258 HydrophobicContact CB-CE1 3.68Å; P232-Y258 HydrophobicContact CB-CE2 3.7Å; P232-Y258 HydrophobicContact CB-CG 4.37Å; P232-Y258 VanDerWaalsContact CB-CZ 3.44Å; P232-Y258 HydrophobicContact CG-CD1 3.83Å; P232-Y258 HydrophobicContact CG-CE1 3.56Å; P232-Y258 HydrophobicContact CG-CE2 4.43Å; P232-Y258 HydrophobicContact CG-CG 4.37Å; P232-F263 HydrophobicContact CB-CB 4.09Å; P232-F263 CarbonylContact O-C 3.33Å; P232-F263 WeakPolarHBondContact O-CA 3.46Å; P232-F263 WeakPolarHBondContact O-CB 3.38Å; P232-A264 PolarHBondContact O-N 2.67Å
233A97.1Very high97.1Very high47 Ų4755.4 Ų55.439%0.38832%0.324SS..BIsolated β-bridgetrans-140.7141.6-178.700000109.9I231 A264I231-A233 PolarHBondContact O-N 2.94Å; A233-A264 WeakPolarHBondContact CA-O 3.45Å; A233-A264 HydrophobicContact CB-CB 4.05Å
234T97.2Very high97.1Very high14 Ų1457.4 Ų57.49%0.08633%0.33CS..  trans-96.3152.3175.665.40000111.9M239 L254 A264 C265 V266T234-M239 HydrophobicContact CG2-CE 3.61Å; T234-M239 HydrophobicContact CG2-SD 4.06Å; T234-L254 HydrophobicContact CG2-CD1 3.71Å; T234-L254 HydrophobicContact CG2-CD2 3.66Å; T234-L254 HydrophobicContact CG2-CG 4.33Å; T234-A264 PolarHBondContact N-O 3Å; T234-A264 VanDerWaalsContact N-O 3.14Å; T234-C265 WeakPolarHBondContact OG1-CA 3.47Å; T234-V266 PolarHBondContact OG1-N 2.96Å
235E94.8Very high97.1Very high101 Ų10166.3 Ų66.347%0.47237%0.371SS..  trans-115.2171.3162.762.7164.7-159.200109.7S237 A238 V266E235-S237 VanDerWaalsContact C-N 3.26Å; E235-S237 WeakPolarHBondContact CG-OG 3.49Å; E235-S237 PolarHBondContact O-N 3.4Å; E235-S237 PolarHBondContact OE1-OG 2.98Å; E235-A238 PolarHBondContact O-N 3.24Å; E235-A238 VanDerWaalsContact O-N 3.1Å; E235-V266 VanDerWaalsContact C-CG1 3.42Å
236H95.8Very high97.2Very high64 Ų6465.2 Ų65.230%0.29636%0.361SS..Hα-helixtrans-56.1-40.4-171.1-64.494.6000112.7A238 M239 T240 V266 D268 D300H236-A238 VanDerWaalsContact C-N 3.25Å; H236-A238 PolarHBondContact O-N 3.47Å; H236-M239 PolarHBondContact O-N 2.74Å; H236-T240 HydrophobicContact CB-CG2 4.39Å; H236-T240 WeakPolarHBondContact O-CB 3.28Å; H236-T240 WeakPolarHBondContact O-CG2 3.42Å; H236-T240 PolarHBondContact O-N 3.12Å; H236-T240 PolarHBondContact O-OG1 3.37Å; H236-V266 WeakPolarHBondContact NE2-CG2 3.32Å; H236-D268 IonicContact CD2-OD1 3.1Å; H236-D268 IonicContact CE1-OD1 2.65Å; H236-D268 IonicContact NE2-OD1 3.47Å; H236-D268 PolarHBondContact NE2-OD1 3.01Å; H236-D300 IonicContact CE1-OD2 3.51Å; H236-D300 PolarHBondContact CE1-OD2 3.38Å
237S96.2Very high97.3Very high64 Ų6462.4 Ų62.445%0.44834%0.343SS..Hα-helixtrans-54.9-40.1-179.468.70000112.9E235 M239 V241E235-S237 VanDerWaalsContact C-N 3.26Å; E235-S237 WeakPolarHBondContact CG-OG 3.49Å; E235-S237 PolarHBondContact O-N 3.4Å; E235-S237 PolarHBondContact OE1-OG 2.98Å; S237-M239 VanDerWaalsContact C-N 3.29Å; S237-M239 PolarHBondContact O-N 2.62Å; S237-V241 WeakPolarHBondContact O-CB 3.34Å; S237-V241 PolarHBondContact O-N 3.36Å
238A96.1Very high97.3Very high40 Ų4064.9 Ų64.933%0.33136%0.358SS..Hα-helixtrans-70.4-26.1-179.300000112.8E235 H236 W242E235-A238 PolarHBondContact O-N 3.24Å; E235-A238 VanDerWaalsContact O-N 3.1Å; H236-A238 VanDerWaalsContact C-N 3.25Å; H236-A238 PolarHBondContact O-N 3.47Å; A238-W242 VanDerWaalsContact O-CD1 3.29Å; A238-W242 PolarHBondContact O-NE1 2.92Å
239M97.4Very high97.4Very high7 Ų768.7 Ų68.73%0.03438%0.378CS..Hα-helixtrans-93.1-45.4178.8-56.1-63.781.700111.3T234 H236 S237 V241 W242 A250 Y251 L254 C265 V266T234-M239 HydrophobicContact CG2-CE 3.61Å; T234-M239 HydrophobicContact CG2-SD 4.06Å; H236-M239 PolarHBondContact O-N 2.74Å; S237-M239 VanDerWaalsContact C-N 3.29Å; S237-M239 PolarHBondContact O-N 2.62Å; M239-V241 VanDerWaalsContact C-N 3.3Å; M239-V241 PolarHBondContact O-N 3.08Å; M239-W242 WeakPolarHBondContact O-CB 3.3Å; M239-W242 PolarHBondContact O-N 3.28Å; M239-A250 HydrophobicContact CE-CB 4.5Å; M239-A250 HydrophobicContact SD-CB 4.5Å; M239-Y251 HydrophobicContact CG-CE1 4.29Å; M239-Y251 HydrophobicContact SD-CD1 3.84Å; M239-Y251 HydrophobicContact SD-CE1 3.69Å; M239-L254 HydrophobicContact CE-CD1 4.23Å; M239-L254 HydrophobicContact CE-CD2 4.47Å; M239-L254 HydrophobicContact SD-CD1 4.09Å; M239-C265 VanDerWaalsContact SD-SG 3.63Å; M239-V266 HydrophobicContact CG-CG1 3.67Å
240T97.5Very high97.4Very high56 Ų5663.9 Ų63.934%0.34436%0.357SS..Hα-helixtrans-69.9-24.6-174.858.90000113.2H236 W242 G243 Y270H236-T240 HydrophobicContact CB-CG2 4.39Å; H236-T240 WeakPolarHBondContact O-CB 3.28Å; H236-T240 WeakPolarHBondContact O-CG2 3.42Å; H236-T240 PolarHBondContact O-N 3.12Å; H236-T240 PolarHBondContact O-OG1 3.37Å; T240-W242 PolarHBondContact O-N 2.83Å; T240-G243 PolarHBondContact O-N 2.92Å; T240-Y270 PolarHBondContact O-OH 3.42Å
241V97.6Very high97.4Very high117 Ų11761 Ų6171%0.70934%0.337SS*.THydrogen-bonded Turntrans-62.2-21.7176.271.80000113.1S237 M239 G243S237-V241 WeakPolarHBondContact O-CB 3.34Å; S237-V241 PolarHBondContact O-N 3.36Å; M239-V241 VanDerWaalsContact C-N 3.3Å; M239-V241 PolarHBondContact O-N 3.08Å; V241-G243 VanDerWaalsContact C-N 3.27Å
242W97.9Very high97.5Very high102 Ų10258.8 Ų58.839%0.38633%0.327SS..THydrogen-bonded Turntrans-74.6-19.5173.7-67.679.4000112.5A238 M239 T240 N246 N249 A250 N253A238-W242 VanDerWaalsContact O-CD1 3.29Å; A238-W242 PolarHBondContact O-NE1 2.92Å; M239-W242 WeakPolarHBondContact O-CB 3.3Å; M239-W242 PolarHBondContact O-N 3.28Å; T240-W242 PolarHBondContact O-N 2.83Å; W242-N246 HydrophobicContact CB-CB 3.98Å; W242-N246 HydrophobicContact CE3-CB 4.43Å; W242-N246 VanDerWaalsContact O-CB 3.29Å; W242-N246 WeakPolarHBondContact O-CB 3.1Å; W242-N246 PolarHBondContact O-ND2 2.65Å; W242-N249 HydrophobicContact CE3-CB 4.3Å; W242-N249 HydrophobicContact CZ3-CB 4.31Å; W242-A250 HydrophobicContact CB-CB 4.01Å; W242-A250 HydrophobicContact CD2-CB 3.87Å; W242-A250 HydrophobicContact CG-CB 3.56Å; W242-N253 HydrophobicContact CH2-CB 4.17Å; W242-N253 HydrophobicContact CZ2-CB 4.17Å
243G97.4Very high97.5Very high28 Ų2859 Ų5929%0.28933%0.325SS..  trans77156.8-168.500000112.5T240 V241 E245 N246 E247T240-G243 PolarHBondContact O-N 2.92Å; V241-G243 VanDerWaalsContact C-N 3.27Å; G243-E245 VanDerWaalsContact C-N 3.34Å; G243-E245 PolarHBondContact O-N 2.87Å; G243-N246 PolarHBondContact O-N 3.29Å; G243-N246 VanDerWaalsContact O-N 3.11Å; G243-E247 PolarHBondContact O-N 3.47Å
244E97.9Very high97.5Very high127 Ų12757.2 Ų57.259%0.59331%0.309SS*.G310 helixtrans-57.5-43.2-175.7-172.3171.1179.300112.8N246 E247 Y270E244-N246 PolarHBondContact O-N 2.93Å; E244-N246 VanDerWaalsContact O-N 3.07Å; E244-E247 WeakPolarHBondContact O-CB 3.28Å; E244-E247 PolarHBondContact O-N 3.1Å; E244-E247 VanDerWaalsContact O-N 3.12Å; E244-Y270 VanDerWaalsContact CA-CE2 3.49Å; E244-Y270 HydrophobicContact CB-CD1 3.9Å; E244-Y270 HydrophobicContact CB-CD2 4.13Å; E244-Y270 HydrophobicContact CB-CE1 3.71Å; E244-Y270 HydrophobicContact CB-CE2 3.94Å; E244-Y270 HydrophobicContact CB-CG 4.1Å; E244-Y270 HydrophobicContact CG-CD1 3.8Å; E244-Y270 HydrophobicContact CG-CD2 3.94Å; E244-Y270 HydrophobicContact CG-CE1 4.15Å; E244-Y270 HydrophobicContact CG-CE2 4.28Å; E244-Y270 HydrophobicContact CG-CG 3.68Å; E244-Y270 PolarHBondContact N-OH 3.27Å
245E97.5Very high97.6Very high190 Ų19057 Ų5789%0.88831%0.308SS*.G310 helixtrans-60.8-21.8179.3-60.6-179176.800113.6G243G243-E245 VanDerWaalsContact C-N 3.34Å; G243-E245 PolarHBondContact O-N 2.87Å
246N98.1Very high97.7Very high64 Ų6457.2 Ų57.234%0.34231%0.312SS..G310 helixtrans-108.214.6-178.9-65.3-67.1000113.3W242 G243 E244 T248 N249 A250W242-N246 HydrophobicContact CB-CB 3.98Å; W242-N246 HydrophobicContact CE3-CB 4.43Å; W242-N246 VanDerWaalsContact O-CB 3.29Å; W242-N246 WeakPolarHBondContact O-CB 3.1Å; W242-N246 PolarHBondContact O-ND2 2.65Å; G243-N246 PolarHBondContact O-N 3.29Å; G243-N246 VanDerWaalsContact O-N 3.11Å; E244-N246 PolarHBondContact O-N 2.93Å; E244-N246 VanDerWaalsContact O-N 3.07Å; N246-T248 VanDerWaalsContact C-N 3.29Å; N246-T248 PolarHBondContact O-N 3.04Å; N246-N249 HydrophobicContact CB-CB 4.26Å; N246-N249 WeakPolarHBondContact O-CA 3.44Å; N246-N249 WeakPolarHBondContact O-CB 3.38Å; N246-N249 PolarHBondContact O-N 2.84Å; N246-N249 PolarHBondContact OD1-ND2 2.75Å; N246-A250 PolarHBondContact O-N 3.48Å
247E98.2Very high97.8Very high10 Ų1058.9 Ų58.95%0.04732%0.323CS..Hα-helixtrans-55.6-43.7-179.8-172.8177.4-137.200111.9G243 E244 N249 A250 Y251 I279G243-E247 PolarHBondContact O-N 3.47Å; E244-E247 WeakPolarHBondContact O-CB 3.28Å; E244-E247 PolarHBondContact O-N 3.1Å; E244-E247 VanDerWaalsContact O-N 3.12Å; E247-N249 VanDerWaalsContact C-N 3.29Å; E247-N249 PolarHBondContact O-N 3.31Å; E247-A250 WeakPolarHBondContact O-CB 3.36Å; E247-A250 PolarHBondContact O-N 3.24Å; E247-Y251 VanDerWaalsContact CD-OH 3.26Å; E247-Y251 HydrophobicContact CG-CD2 4.34Å; E247-Y251 HydrophobicContact CG-CE1 3.9Å; E247-Y251 HydrophobicContact CG-CE2 3.63Å; E247-Y251 WeakPolarHBondContact CG-OH 3.35Å; E247-Y251 PolarHBondContact O-N 3Å; E247-Y251 PolarHBondContact OE1-OH 3.5Å; E247-I279 HydrophobicContact CB-CD1 4.19Å; E247-I279 HydrophobicContact CG-CD1 3.89Å; E247-I279 VanDerWaalsContact OE2-CD1 3.27Å; E247-I279 WeakPolarHBondContact OE2-CD1 3.47Å
248T98.5Very high97.9Very high51 Ų5160 Ų6031%0.31332%0.318SS..Hα-helixtrans-58.9-38173.3-58.90000112.7N246 S252 I279 A283 L284N246-T248 VanDerWaalsContact C-N 3.29Å; N246-T248 PolarHBondContact O-N 3.04Å; T248-S252 WeakPolarHBondContact O-CB 3.34Å; T248-S252 PolarHBondContact O-N 2.69Å; T248-I279 HydrophobicContact CG2-CG2 4.06Å; T248-A283 HydrophobicContact CG2-CB 4.15Å; T248-L284 HydrophobicContact CG2-CD2 4.39Å
249N98.5Very high97.8Very high83 Ų8362 Ų6244%0.44433%0.327SS..Hα-helixtrans-70.4-40.6178.2-67.3-30000111W242 N246 E247 Y251 S252 N253W242-N249 HydrophobicContact CE3-CB 4.3Å; W242-N249 HydrophobicContact CZ3-CB 4.31Å; N246-N249 HydrophobicContact CB-CB 4.26Å; N246-N249 WeakPolarHBondContact O-CA 3.44Å; N246-N249 WeakPolarHBondContact O-CB 3.38Å; N246-N249 PolarHBondContact O-N 2.84Å; N246-N249 PolarHBondContact OD1-ND2 2.75Å; E247-N249 VanDerWaalsContact C-N 3.29Å; E247-N249 PolarHBondContact O-N 3.31Å; N249-Y251 VanDerWaalsContact C-N 3.35Å; N249-Y251 PolarHBondContact O-N 3.45Å; N249-S252 PolarHBondContact O-N 2.95Å; N249-N253 WeakPolarHBondContact O-CB 3.47Å; N249-N253 PolarHBondContact O-N 3.08Å
250A98.4Very high97.8Very high1 Ų166.6 Ų66.61%0.00835%0.352CS..Hα-helixtrans-58.5-47.5174.300000111M239 W242 N246 E247 N253 L254M239-A250 HydrophobicContact CE-CB 4.5Å; M239-A250 HydrophobicContact SD-CB 4.5Å; W242-A250 HydrophobicContact CB-CB 4.01Å; W242-A250 HydrophobicContact CD2-CB 3.87Å; W242-A250 HydrophobicContact CG-CB 3.56Å; N246-A250 PolarHBondContact O-N 3.48Å; E247-A250 WeakPolarHBondContact O-CB 3.36Å; E247-A250 PolarHBondContact O-N 3.24Å; A250-N253 WeakPolarHBondContact O-CB 3.44Å; A250-N253 PolarHBondContact O-N 2.8Å; A250-L254 PolarHBondContact O-N 3.09Å
251Y98.6Very high97.8Very high0 Ų065.6 Ų65.60%035%0.353CS..Hα-helixtrans-67.8-42179.1-65.8-2000112M239 E247 N249 N253 L254 L255 C265 S267 A275 I279 W280M239-Y251 HydrophobicContact CG-CE1 4.29Å; M239-Y251 HydrophobicContact SD-CD1 3.84Å; M239-Y251 HydrophobicContact SD-CE1 3.69Å; E247-Y251 VanDerWaalsContact CD-OH 3.26Å; E247-Y251 HydrophobicContact CG-CD2 4.34Å; E247-Y251 HydrophobicContact CG-CE1 3.9Å; E247-Y251 HydrophobicContact CG-CE2 3.63Å; E247-Y251 WeakPolarHBondContact CG-OH 3.35Å; E247-Y251 PolarHBondContact O-N 3Å; E247-Y251 PolarHBondContact OE1-OH 3.5Å; N249-Y251 VanDerWaalsContact C-N 3.35Å; N249-Y251 PolarHBondContact O-N 3.45Å; Y251-N253 VanDerWaalsContact C-N 3.25Å; Y251-N253 PolarHBondContact O-N 2.72Å; Y251-L254 WeakPolarHBondContact O-CB 3.09Å; Y251-L254 PolarHBondContact O-N 2.83Å; Y251-L255 PolarHBondContact O-N 3.09Å; Y251-C265 VanDerWaalsContact CD1-SG 3.6Å; Y251-S267 WeakPolarHBondContact OH-CA 3.45Å; Y251-A275 HydrophobicContact CE2-CB 3.97Å; Y251-I279 HydrophobicContact CD2-CB 4.24Å; Y251-I279 HydrophobicContact CD2-CD1 4.32Å; Y251-I279 HydrophobicContact CD2-CG2 3.56Å; Y251-I279 HydrophobicContact CE2-CD1 4.07Å; Y251-I279 HydrophobicContact CE2-CG2 4.29Å; Y251-I279 HydrophobicContact CG-CG2 4.43Å; Y251-W280 AromaticContact CD1-CZ2 3.98Å; Y251-W280 HydrophobicContact CD1-CZ2 3.98Å; Y251-W280 HydrophobicContact CD2-CD2 4.27Å; Y251-W280 AromaticContact CD2-CE2 3.47Å; Y251-W280 VanDerWaalsContact CD2-CE2 3.47Å; Y251-W280 HydrophobicContact CD2-CH2 4.36Å; Y251-W280 AromaticContact CD2-CZ2 3.53Å; Y251-W280 HydrophobicContact CD2-CZ2 3.53Å; Y251-W280 AromaticContact CD2-NE1 3.49Å; Y251-W280 HydrophobicContact CE2-CZ2 4.29Å; Y251-W280 AromaticContact CE2-NE1 3.6Å; Y251-W280 AromaticContact CG-CE2 3.88Å; Y251-W280 AromaticContact CG-CH2 3.97Å; Y251-W280 HydrophobicContact CG-CH2 3.97Å; Y251-W280 AromaticContact CG-CZ2 3.4Å; Y251-W280 HydrophobicContact CG-CZ2 3.4Å
252S98.3Very high97.8Very high18 Ų1862.8 Ų62.813%0.12634%0.336CS..Hα-helixtrans-63.7-31.9174.8-173.10000112.3T248 N249 L254 L255 N256 K287T248-S252 WeakPolarHBondContact O-CB 3.34Å; T248-S252 PolarHBondContact O-N 2.69Å; N249-S252 PolarHBondContact O-N 2.95Å; S252-L254 VanDerWaalsContact C-N 3.33Å; S252-L255 PolarHBondContact O-N 3.01Å; S252-N256 PolarHBondContact O-N 3.47Å; S252-N256 PolarHBondContact O-ND2 3.15Å; S252-K287 PolarHBondContact OG-NZ 3.43Å
253N98.4Very high97.8Very high54 Ų5458 Ų5829%0.28932%0.318SS..Hα-helixtrans-65-38.2177.1-179.462.2000111.4W242 N249 A250 Y251 L255 N256 L257W242-N253 HydrophobicContact CH2-CB 4.17Å; W242-N253 HydrophobicContact CZ2-CB 4.17Å; N249-N253 WeakPolarHBondContact O-CB 3.47Å; N249-N253 PolarHBondContact O-N 3.08Å; A250-N253 WeakPolarHBondContact O-CB 3.44Å; A250-N253 PolarHBondContact O-N 2.8Å; Y251-N253 VanDerWaalsContact C-N 3.25Å; Y251-N253 PolarHBondContact O-N 2.72Å; N253-L255 VanDerWaalsContact C-N 3.32Å; N253-L255 PolarHBondContact O-N 2.88Å; N253-N256 WeakPolarHBondContact O-CB 3.36Å; N253-N256 PolarHBondContact O-N 3.15Å; N253-N256 VanDerWaalsContact O-N 3.1Å; N253-L257 WeakPolarHBondContact ND2-CD1 3.39Å; N253-L257 WeakPolarHBondContact O-CG 3.43Å; N253-L257 PolarHBondContact O-N 3.02Å
254L98.3Very high97.8Very high10 Ų1057 Ų575%0.05231%0.307CS..Hα-helixtrans-61-40.5174.8-60.7173.5000112.1T234 M239 A250 Y251 S252 N256 L257 Y258 F263 C265T234-L254 HydrophobicContact CG2-CD1 3.71Å; T234-L254 HydrophobicContact CG2-CD2 3.66Å; T234-L254 HydrophobicContact CG2-CG 4.33Å; M239-L254 HydrophobicContact CE-CD1 4.23Å; M239-L254 HydrophobicContact CE-CD2 4.47Å; M239-L254 HydrophobicContact SD-CD1 4.09Å; A250-L254 PolarHBondContact O-N 3.09Å; Y251-L254 WeakPolarHBondContact O-CB 3.09Å; Y251-L254 PolarHBondContact O-N 2.83Å; S252-L254 VanDerWaalsContact C-N 3.33Å; L254-N256 VanDerWaalsContact C-N 3.26Å; L254-N256 PolarHBondContact O-N 2.96Å; L254-L257 PolarHBondContact O-N 2.86Å; L254-Y258 HydrophobicContact CD2-CE2 4.22Å; L254-Y258 WeakPolarHBondContact O-CD2 3.27Å; L254-Y258 PolarHBondContact O-N 2.92Å; L254-F263 HydrophobicContact CB-CD2 4.29Å; L254-F263 HydrophobicContact CB-CE2 3.71Å; L254-F263 HydrophobicContact CB-CZ 3.95Å; L254-F263 HydrophobicContact CD1-CD2 4.42Å; L254-F263 HydrophobicContact CD1-CE2 4.01Å; L254-F263 HydrophobicContact CG-CE2 4.5Å; L254-C265 HydrophobicContact CD1-CB 3.9Å; L254-C265 WeakPolarHBondContact CD1-SG 3.29Å
255L98.2Very high97.9Very high11 Ų1150.9 Ų50.96%0.05828%0.279CS..Hα-helixtrans-63.8-31.3175.4-68.4168.2000112.6Y251 S252 N253 F263 W280 L284 K287 V288 V295Y251-L255 PolarHBondContact O-N 3.09Å; S252-L255 PolarHBondContact O-N 3.01Å; N253-L255 VanDerWaalsContact C-N 3.32Å; N253-L255 PolarHBondContact O-N 2.88Å; L255-F263 HydrophobicContact CD2-CE1 3.94Å; L255-F263 HydrophobicContact CD2-CZ 3.84Å; L255-F263 HydrophobicContact CG-CZ 4.24Å; L255-W280 HydrophobicContact CD1-CZ3 4.14Å; L255-W280 HydrophobicContact CG-CZ3 4.31Å; L255-L284 HydrophobicContact CD1-CB 4.04Å; L255-L284 HydrophobicContact CD1-CD1 4.12Å; L255-L284 HydrophobicContact CD1-CD2 4.45Å; L255-L284 HydrophobicContact CD1-CG 4.44Å; L255-K287 HydrophobicContact CD1-CB 3.83Å; L255-K287 HydrophobicContact CD1-CD 4.18Å; L255-V288 HydrophobicContact CD1-CG2 4.34Å; L255-V288 HydrophobicContact CD2-CG2 4.25Å; L255-V295 HydrophobicContact CD2-CG2 4.04Å
256N97.4Very high97.9Very high104 Ų10441.9 Ų41.956%0.55624%0.236SC*.Hα-helixtrans-78-37.8176.1-62.8-22.3000112S252 N253 L254S252-N256 PolarHBondContact O-N 3.47Å; S252-N256 PolarHBondContact O-ND2 3.15Å; N253-N256 WeakPolarHBondContact O-CB 3.36Å; N253-N256 PolarHBondContact O-N 3.15Å; N253-N256 VanDerWaalsContact O-N 3.1Å; L254-N256 VanDerWaalsContact C-N 3.26Å; L254-N256 PolarHBondContact O-N 2.96Å
257L97.7Very high97.9Very high99 Ų9938.8 Ų38.852%0.51822%0.22SC..Hα-helixtrans-70.9-34.3178-72.1173.9000112.5N253 L254 P259N253-L257 WeakPolarHBondContact ND2-CD1 3.39Å; N253-L257 WeakPolarHBondContact O-CG 3.43Å; N253-L257 PolarHBondContact O-N 3.02Å; L254-L257 PolarHBondContact O-N 2.86Å; L257-P259 VanDerWaalsContact C-CD 3.47Å; L257-P259 WeakPolarHBondContact O-CD 3.25Å
258Y97.4Very high97.8Very high87 Ų8738.9 Ų38.934%0.34122%0.221SC..  trans-123.370.8-177.1-50.7-62.5000110.6P232 L254 D260 F263 R291P232-Y258 HydrophobicContact CB-CD1 4.14Å; P232-Y258 HydrophobicContact CB-CD2 4.16Å; P232-Y258 HydrophobicContact CB-CE1 3.68Å; P232-Y258 HydrophobicContact CB-CE2 3.7Å; P232-Y258 HydrophobicContact CB-CG 4.37Å; P232-Y258 VanDerWaalsContact CB-CZ 3.44Å; P232-Y258 HydrophobicContact CG-CD1 3.83Å; P232-Y258 HydrophobicContact CG-CE1 3.56Å; P232-Y258 HydrophobicContact CG-CE2 4.43Å; P232-Y258 HydrophobicContact CG-CG 4.37Å; L254-Y258 HydrophobicContact CD2-CE2 4.22Å; L254-Y258 WeakPolarHBondContact O-CD2 3.27Å; L254-Y258 PolarHBondContact O-N 2.92Å; Y258-D260 PolarHBondContact O-N 3.4Å; Y258-F263 HydrophobicContact CD2-CB 4.18Å; Y258-F263 HydrophobicContact CD2-CD1 4.31Å; Y258-F263 HydrophobicContact CD2-CG 4.19Å; Y258-F263 HydrophobicContact CG-CB 4.5Å; Y258-F263 HydrophobicContact CG-CD1 4.48Å; Y258-R291 PolarHBondContact O-NH1 2.95Å; Y258-R291 VanDerWaalsContact O-NH1 3.12Å
259P95.2Very high97.7Very high83 Ų8337.6 Ų37.654%0.53921%0.214SC..SBendtrans-65.9-18.4-175.228.4-36.6000113.5L257 R291L257-P259 VanDerWaalsContact C-CD 3.47Å; L257-P259 WeakPolarHBondContact O-CD 3.25Å; P259-R291 WeakPolarHBondContact O-CG 3.24Å
260D96.6Very high97.6Very high103 Ų10337.5 Ų37.555%0.55121%0.208SC*.BIsolated β-bridgetrans-137.2176.6174.459.730.8000111.5Y258 R291 N292Y258-D260 PolarHBondContact O-N 3.4Å; D260-R291 PolarHBondContact O-NH1 3.39Å; D260-N292 CarbonylContact C-O 3.56Å; D260-N292 VanDerWaalsContact CA-O 3.3Å; D260-N292 WeakPolarHBondContact CA-O 3.49Å; D260-N292 WeakPolarHBondContact CB-O 3.32Å
261G97.1Very high97.6Very high36 Ų3640.7 Ų40.737%0.37123%0.225SC..SBendtrans73.4-166.517800000113.8R291 N292 G293 T294G261-R291 PolarHBondContact O-NH1 2.97Å; G261-R291 PolarHBondContact O-NH2 2.87Å; G261-N292 PolarHBondContact N-O 3.29Å; G261-G293 VanDerWaalsContact O-CA 3.23Å; G261-G293 WeakPolarHBondContact O-CA 3.37Å; G261-T294 PolarHBondContact O-N 3.27Å
262T97.9Very high97.6Very high57 Ų5741.3 Ų41.335%0.3523%0.228SC..  trans-108.1136.3-176.2-60.50000110.3I231 T294 V296I231-T262 WeakPolarHBondContact CB-O 3.43Å; I231-T262 HydrophobicContact CD1-CG2 3.75Å; I231-T262 HydrophobicContact CG2-CG2 4.32Å; T262-T294 VanDerWaalsContact CA-O 3.29Å; T262-T294 WeakPolarHBondContact CA-O 3.29Å; T262-T294 WeakPolarHBondContact CG2-O 3.34Å; T262-V296 HydrophobicContact CG2-CG2 3.63Å
263F98.3Very high97.6Very high2 Ų244.7 Ų44.71%0.00924%0.238CC..EExtended strand (participates in β ladder)trans-137.6152167.973.1-95.2000110.5P232 L254 L255 Y258 C265 W280 T294 V295 V296P232-F263 HydrophobicContact CB-CB 4.09Å; P232-F263 CarbonylContact O-C 3.33Å; P232-F263 WeakPolarHBondContact O-CA 3.46Å; P232-F263 WeakPolarHBondContact O-CB 3.38Å; L254-F263 HydrophobicContact CB-CD2 4.29Å; L254-F263 HydrophobicContact CB-CE2 3.71Å; L254-F263 HydrophobicContact CB-CZ 3.95Å; L254-F263 HydrophobicContact CD1-CD2 4.42Å; L254-F263 HydrophobicContact CD1-CE2 4.01Å; L254-F263 HydrophobicContact CG-CE2 4.5Å; L255-F263 HydrophobicContact CD2-CE1 3.94Å; L255-F263 HydrophobicContact CD2-CZ 3.84Å; L255-F263 HydrophobicContact CG-CZ 4.24Å; Y258-F263 HydrophobicContact CD2-CB 4.18Å; Y258-F263 HydrophobicContact CD2-CD1 4.31Å; Y258-F263 HydrophobicContact CD2-CG 4.19Å; Y258-F263 HydrophobicContact CG-CB 4.5Å; Y258-F263 HydrophobicContact CG-CD1 4.48Å; F263-C265 HydrophobicContact CE2-CB 4.26Å; F263-W280 HydrophobicContact CE2-CH2 4.28Å; F263-W280 HydrophobicContact CZ-CH2 4.37Å; F263-T294 PolarHBondContact N-O 2.78Å; F263-V295 HydrophobicContact CE1-CG2 3.79Å; F263-V295 HydrophobicContact CE2-CG1 4.06Å; F263-V295 HydrophobicContact CE2-CG2 4.48Å; F263-V295 HydrophobicContact CZ-CB 4.42Å; F263-V295 HydrophobicContact CZ-CG1 4.04Å; F263-V295 HydrophobicContact CZ-CG2 3.7Å; F263-V296 PolarHBondContact O-N 2.97Å
264A98.3Very high97.6Very high6 Ų644.8 Ų44.85%0.0524%0.238CC..EExtended strand (participates in β ladder)trans-105.9141174.500000111.4I231 P232 A233 T234 V296 I338I231-A264 HydrophobicContact CD1-CB 3.95Å; P232-A264 PolarHBondContact O-N 2.67Å; A233-A264 WeakPolarHBondContact CA-O 3.45Å; A233-A264 HydrophobicContact CB-CB 4.05Å; T234-A264 PolarHBondContact N-O 3Å; T234-A264 VanDerWaalsContact N-O 3.14Å; A264-V296 CarbonylContact C-O 3.57Å; A264-V296 VanDerWaalsContact CA-O 3.24Å; A264-V296 WeakPolarHBondContact CA-O 3.38Å; A264-V296 HydrophobicContact CB-CB 4.02Å; A264-I338 HydrophobicContact CB-CG2 4.43Å
265C98.5Very high97.6Very high0 Ų044.3 Ų44.30%024%0.236CC..EExtended strand (participates in β ladder)trans-126.8118.9177.3-172.80000111T234 M239 Y251 L254 F263 S267 W280 V296 R298T234-C265 WeakPolarHBondContact OG1-CA 3.47Å; M239-C265 VanDerWaalsContact SD-SG 3.63Å; Y251-C265 VanDerWaalsContact CD1-SG 3.6Å; L254-C265 HydrophobicContact CD1-CB 3.9Å; L254-C265 WeakPolarHBondContact CD1-SG 3.29Å; F263-C265 HydrophobicContact CE2-CB 4.26Å; C265-S267 PolarHBondContact O-N 3.02Å; C265-S267 VanDerWaalsContact O-N 3.12Å; C265-S267 PolarHBondContact O-OG 3.27Å; C265-W280 HydrophobicContact CB-CH2 4.4Å; C265-W280 HydrophobicContact CB-CZ2 3.79Å; C265-V296 PolarHBondContact N-O 2.85Å; C265-R298 WeakPolarHBondContact O-CB 3.27Å; C265-R298 PolarHBondContact O-N 3.18Å
266V97.8Very high97.6Very high0 Ų043.8 Ų43.80%023%0.233CC..EExtended strand (participates in β ladder)trans-61116.4166.7690000108.5T234 E235 H236 M239 D268 R298 D300T234-V266 PolarHBondContact OG1-N 2.96Å; E235-V266 VanDerWaalsContact C-CG1 3.42Å; H236-V266 WeakPolarHBondContact NE2-CG2 3.32Å; M239-V266 HydrophobicContact CG-CG1 3.67Å; V266-D268 WeakPolarHBondContact CG2-OD1 3.47Å; V266-R298 WeakPolarHBondContact CA-O 3.38Å; V266-D300 HydrophobicContact CG2-CB 4.01Å
267S98.2Very high97.6Very high0 Ų040.2 Ų40.20%022%0.216CC..  trans-115.214.4-167.4-610000112.7Y251 C265 I272 A275 W280 R298Y251-S267 WeakPolarHBondContact OH-CA 3.45Å; C265-S267 PolarHBondContact O-N 3.02Å; C265-S267 VanDerWaalsContact O-N 3.12Å; C265-S267 PolarHBondContact O-OG 3.27Å; S267-I272 WeakPolarHBondContact O-CA 3.24Å; S267-I272 WeakPolarHBondContact O-CD1 3.2Å; S267-A275 WeakPolarHBondContact O-CB 3.27Å; S267-W280 PolarHBondContact OG-NE1 3.48Å; S267-W280 VanDerWaalsContact OG-NE1 3.11Å; S267-R298 PolarHBondContact N-O 2.63Å
268D96.7Very high97.7Very high12 Ų1238.8 Ų38.86%0.06421%0.209CC..  trans-12424.6-176.475.4-23000113H236 V266 Y270 I272 D300 S301H236-D268 IonicContact CD2-OD1 3.1Å; H236-D268 IonicContact CE1-OD1 2.65Å; H236-D268 IonicContact NE2-OD1 3.47Å; H236-D268 PolarHBondContact NE2-OD1 3.01Å; V266-D268 WeakPolarHBondContact CG2-OD1 3.47Å; D268-Y270 PolarHBondContact O-N 3.43Å; D268-I272 HydrophobicContact CB-CB 3.76Å; D268-I272 HydrophobicContact CB-CD1 4.22Å; D268-I272 HydrophobicContact CB-CG1 4.34Å; D268-D300 WeakPolarHBondContact OD2-CA 3.41Å; D268-D300 PolarHBondContact OD2-N 2.93Å; D268-S301 VanDerWaalsContact OD2-CB 3.27Å; D268-S301 WeakPolarHBondContact OD2-CB 3.43Å; D268-S301 PolarHBondContact OD2-N 3.43Å; D268-S301 PolarHBondContact OD2-OG 2.97Å
269S96.6Very high97.7Very high23 Ų2334.9 Ų34.916%0.16119%0.194CC..SBendtrans-54.4-32.3173.3-74.90000112.9
270Y96.7Very high97.9Very high81 Ų8130.9 Ų30.932%0.31817%0.168SC..SBendtrans-133-61.6178.5-52.5-77.9000111.6T240 E244 D268T240-Y270 PolarHBondContact O-OH 3.42Å; E244-Y270 VanDerWaalsContact CA-CE2 3.49Å; E244-Y270 HydrophobicContact CB-CD1 3.9Å; E244-Y270 HydrophobicContact CB-CD2 4.13Å; E244-Y270 HydrophobicContact CB-CE1 3.71Å; E244-Y270 HydrophobicContact CB-CE2 3.94Å; E244-Y270 HydrophobicContact CB-CG 4.1Å; E244-Y270 HydrophobicContact CG-CD1 3.8Å; E244-Y270 HydrophobicContact CG-CD2 3.94Å; E244-Y270 HydrophobicContact CG-CE1 4.15Å; E244-Y270 HydrophobicContact CG-CE2 4.28Å; E244-Y270 HydrophobicContact CG-CG 3.68Å; E244-Y270 PolarHBondContact N-OH 3.27Å; D268-Y270 PolarHBondContact O-N 3.43Å
271D97.4Very high98Very high68 Ų6826.1 Ų26.136%0.36414%0.144SC..  trans-145105-179.5-179.2-2.4000111.7W273 N274 A275D271-W273 PolarHBondContact O-N 3.49Å; D271-W273 WeakPolarHBondContact OD1-CA 3.21Å; D271-W273 VanDerWaalsContact OD1-CB 3.29Å; D271-W273 WeakPolarHBondContact OD1-CB 3.35Å; D271-W273 PolarHBondContact OD1-N 3.38Å; D271-N274 HydrophobicContact CB-CB 3.96Å; D271-N274 PolarHBondContact O-N 3.13Å; D271-N274 PolarHBondContact OD1-N 3.13Å; D271-A275 WeakPolarHBondContact O-CB 3.4Å; D271-A275 PolarHBondContact O-N 3.4Å
272I97.8Very high98Very high14 Ų1430.3 Ų30.37%0.07215%0.153CC..Hα-helixtrans-59.9-29.6178.1-173.159.1000113.4S267 D268 C276 I297 P299 V311S267-I272 WeakPolarHBondContact O-CA 3.24Å; S267-I272 WeakPolarHBondContact O-CD1 3.2Å; D268-I272 HydrophobicContact CB-CB 3.76Å; D268-I272 HydrophobicContact CB-CD1 4.22Å; D268-I272 HydrophobicContact CB-CG1 4.34Å; I272-C276 WeakPolarHBondContact O-CB 3.33Å; I272-C276 PolarHBondContact O-N 3.49Å; I272-C276 PolarHBondContact O-SG 3Å; I272-I297 HydrophobicContact CD1-CG2 4.12Å; I272-P299 HydrophobicContact CD1-CB 4.35Å; I272-P299 HydrophobicContact CG1-CB 4.35Å; I272-V311 HydrophobicContact CD1-CG2 4.48Å; I272-V311 HydrophobicContact CG1-CG2 3.83Å
273W98.3Very high98Very high89 Ų8930.7 Ų30.734%0.33716%0.162SC..Hα-helixtrans-73.9-46.1-179.7-44123.1000110.6D271 C276 S277 V307 K310 V311 I314D271-W273 PolarHBondContact O-N 3.49Å; D271-W273 WeakPolarHBondContact OD1-CA 3.21Å; D271-W273 VanDerWaalsContact OD1-CB 3.29Å; D271-W273 WeakPolarHBondContact OD1-CB 3.35Å; D271-W273 PolarHBondContact OD1-N 3.38Å; W273-C276 PolarHBondContact O-N 2.7Å; W273-S277 WeakPolarHBondContact O-CB 3.41Å; W273-S277 PolarHBondContact O-N 2.74Å; W273-V307 HydrophobicContact CH2-CB 4.35Å; W273-V307 HydrophobicContact CH2-CG1 4.17Å; W273-V307 HydrophobicContact CH2-CG2 4.21Å; W273-K310 HydrophobicContact CE3-CB 4.41Å; W273-K310 HydrophobicContact CH2-CB 3.78Å; W273-K310 HydrophobicContact CH2-CD 3.98Å; W273-K310 HydrophobicContact CZ2-CD 4.31Å; W273-K310 HydrophobicContact CZ3-CB 3.54Å; W273-K310 HydrophobicContact CZ3-CD 4.42Å; W273-V311 HydrophobicContact CZ3-CG2 3.79Å; W273-I314 HydrophobicContact CB-CD1 4.28Å; W273-I314 HydrophobicContact CD2-CD1 4.35Å; W273-I314 HydrophobicContact CE3-CD1 3.56Å; W273-I314 HydrophobicContact CZ3-CD1 4.33Å
274N98.4Very high98.1Very high55 Ų5530.9 Ų30.929%0.29416%0.164SC..Hα-helixtrans-61.9-45.5173.5179.761.5000111.3D271 C276 S277 N278 I279D271-N274 HydrophobicContact CB-CB 3.96Å; D271-N274 PolarHBondContact O-N 3.13Å; D271-N274 PolarHBondContact OD1-N 3.13Å; N274-C276 PolarHBondContact O-N 3.37Å; N274-S277 PolarHBondContact O-N 3.13Å; N274-N278 PolarHBondContact O-N 3.31Å; N274-N278 PolarHBondContact OD1-ND2 3.4Å; N274-I279 PolarHBondContact O-N 2.81Å
275A98.5Very high98.1Very high0 Ų034.5 Ų34.50%018%0.176CC..Iπ-helixtrans-57.1-47.9177.300000111.6Y251 S267 D271 I279 W280Y251-A275 HydrophobicContact CE2-CB 3.97Å; S267-A275 WeakPolarHBondContact O-CB 3.27Å; D271-A275 WeakPolarHBondContact O-CB 3.4Å; D271-A275 PolarHBondContact O-N 3.4Å; A275-I279 PolarHBondContact O-N 3.45Å; A275-W280 WeakPolarHBondContact O-CB 3.4Å; A275-W280 PolarHBondContact O-N 2.93Å
276C98.7Very high98Very high0 Ų039.3 Ų39.30%020%0.202CC..Iπ-helixtrans-69.9-42.4179.1-67.10000113.1I272 W273 N274 G281 I314 L315I272-C276 WeakPolarHBondContact O-CB 3.33Å; I272-C276 PolarHBondContact O-N 3.49Å; I272-C276 PolarHBondContact O-SG 3Å; W273-C276 PolarHBondContact O-N 2.7Å; N274-C276 PolarHBondContact O-N 3.37Å; C276-G281 WeakPolarHBondContact O-CA 3.27Å; C276-G281 PolarHBondContact O-N 3.03Å; C276-I314 HydrophobicContact CB-CB 4.35Å; C276-I314 HydrophobicContact CB-CG2 3.67Å; C276-L315 HydrophobicContact CB-CD2 3.87Å; C276-L315 HydrophobicContact CB-CG 4.39Å
277S98.3Very high98Very high29 Ų2944.1 Ų44.120%0.20322%0.222CC..Iπ-helixtrans-78.2-53-173.6176.50000112.8W273 N274 G281 K318W273-S277 WeakPolarHBondContact O-CB 3.41Å; W273-S277 PolarHBondContact O-N 2.74Å; N274-S277 PolarHBondContact O-N 3.13Å; S277-G281 CarbonylContact O-C 3.6Å; S277-G281 WeakPolarHBondContact O-CA 3.14Å; S277-K318 WeakPolarHBondContact O-CE 3.37Å; S277-K318 PolarHBondContact O-NZ 3.29Å; S277-K318 WeakPolarHBondContact OG-CE 3.45Å; S277-K318 PolarHBondContact OG-NZ 3.03Å
278N98.5Very high98Very high69 Ų6944.1 Ų44.137%0.36922%0.222SC..Iπ-helixtrans-105.8-29-163-55.8-27.8000112.1N274 E282 A283N274-N278 PolarHBondContact O-N 3.31Å; N274-N278 PolarHBondContact OD1-ND2 3.4Å; N278-E282 WeakPolarHBondContact O-CB 3.42Å; N278-A283 WeakPolarHBondContact O-CB 3.44Å; N278-A283 PolarHBondContact O-N 3.44Å
279I98.7Very high98.1Very high5 Ų546.6 Ų46.63%0.02624%0.235CC..Iπ-helixtrans-88.9-70.5177.9-49.3-178000110.1E247 T248 Y251 N274 A275 A283 L284E247-I279 HydrophobicContact CB-CD1 4.19Å; E247-I279 HydrophobicContact CG-CD1 3.89Å; E247-I279 VanDerWaalsContact OE2-CD1 3.27Å; E247-I279 WeakPolarHBondContact OE2-CD1 3.47Å; T248-I279 HydrophobicContact CG2-CG2 4.06Å; Y251-I279 HydrophobicContact CD2-CB 4.24Å; Y251-I279 HydrophobicContact CD2-CD1 4.32Å; Y251-I279 HydrophobicContact CD2-CG2 3.56Å; Y251-I279 HydrophobicContact CE2-CD1 4.07Å; Y251-I279 HydrophobicContact CE2-CG2 4.29Å; Y251-I279 HydrophobicContact CG-CG2 4.43Å; N274-I279 PolarHBondContact O-N 2.81Å; A275-I279 PolarHBondContact O-N 3.45Å; I279-A283 PolarHBondContact O-N 2.82Å; I279-L284 HydrophobicContact CG2-CD1 3.87Å; I279-L284 HydrophobicContact CG2-CG 4.2Å; I279-L284 WeakPolarHBondContact O-CB 3.39Å; I279-L284 PolarHBondContact O-N 3.38Å
280W98.6Very high98.1Very high0 Ų051.9 Ų51.90%026%0.262CS..Iπ-helixtrans-65.9-46.3179-65.4118.9000111.7Y251 L255 F263 C265 S267 A275 E282 L284 R285 V288 V295 I297 F319Y251-W280 AromaticContact CD1-CZ2 3.98Å; Y251-W280 HydrophobicContact CD1-CZ2 3.98Å; Y251-W280 HydrophobicContact CD2-CD2 4.27Å; Y251-W280 AromaticContact CD2-CE2 3.47Å; Y251-W280 VanDerWaalsContact CD2-CE2 3.47Å; Y251-W280 HydrophobicContact CD2-CH2 4.36Å; Y251-W280 AromaticContact CD2-CZ2 3.53Å; Y251-W280 HydrophobicContact CD2-CZ2 3.53Å; Y251-W280 AromaticContact CD2-NE1 3.49Å; Y251-W280 HydrophobicContact CE2-CZ2 4.29Å; Y251-W280 AromaticContact CE2-NE1 3.6Å; Y251-W280 AromaticContact CG-CE2 3.88Å; Y251-W280 AromaticContact CG-CH2 3.97Å; Y251-W280 HydrophobicContact CG-CH2 3.97Å; Y251-W280 AromaticContact CG-CZ2 3.4Å; Y251-W280 HydrophobicContact CG-CZ2 3.4Å; L255-W280 HydrophobicContact CD1-CZ3 4.14Å; L255-W280 HydrophobicContact CG-CZ3 4.31Å; F263-W280 HydrophobicContact CE2-CH2 4.28Å; F263-W280 HydrophobicContact CZ-CH2 4.37Å; C265-W280 HydrophobicContact CB-CH2 4.4Å; C265-W280 HydrophobicContact CB-CZ2 3.79Å; S267-W280 PolarHBondContact OG-NE1 3.48Å; S267-W280 VanDerWaalsContact OG-NE1 3.11Å; A275-W280 WeakPolarHBondContact O-CB 3.4Å; A275-W280 PolarHBondContact O-N 2.93Å; W280-E282 VanDerWaalsContact C-N 3.31Å; W280-E282 PolarHBondContact O-N 3.04Å; W280-L284 HydrophobicContact CE3-CB 4.31Å; W280-L284 HydrophobicContact CE3-CD1 4.04Å; W280-L284 HydrophobicContact CH2-CD1 4.49Å; W280-L284 HydrophobicContact CZ3-CD1 3.9Å; W280-R285 VanDerWaalsContact O-CA 3.23Å; W280-R285 WeakPolarHBondContact O-CA 3.34Å; W280-R285 PolarHBondContact O-N 3.12Å; W280-V288 HydrophobicContact CE3-CG2 3.94Å; W280-V288 HydrophobicContact CZ3-CG2 4.25Å; W280-V295 HydrophobicContact CE3-CG1 4.34Å; W280-V295 HydrophobicContact CH2-CG1 4.22Å; W280-V295 HydrophobicContact CZ3-CG1 4.09Å; W280-I297 HydrophobicContact CB-CD1 4.43Å; W280-I297 VanDerWaalsContact CD1-CD1 3.46Å; W280-I297 HydrophobicContact CD2-CD1 3.87Å; W280-I297 HydrophobicContact CG-CD1 3.69Å; W280-F319 WeakPolarHBondContact O-CZ 3.46Å
281G98.2Very high98Very high3 Ų349.2 Ų49.23%0.03125%0.251CS..Iπ-helixtrans-77.2-5.9-176.100000115.8C276 S277 R285 K318C276-G281 WeakPolarHBondContact O-CA 3.27Å; C276-G281 PolarHBondContact O-N 3.03Å; S277-G281 CarbonylContact O-C 3.6Å; S277-G281 WeakPolarHBondContact O-CA 3.14Å; G281-R285 WeakPolarHBondContact O-CD 3.45Å; G281-K318 WeakPolarHBondContact O-CD 3.18Å
282E98.2Very high98Very high123 Ų12352.5 Ų52.558%0.57527%0.268SS*.Iπ-helixtrans-142.6-73-178.6-171.6169.5168.200111.9N278 W280 L284 R285 K318N278-E282 WeakPolarHBondContact O-CB 3.42Å; W280-E282 VanDerWaalsContact C-N 3.31Å; W280-E282 PolarHBondContact O-N 3.04Å; E282-L284 VanDerWaalsContact C-N 3.26Å; E282-L284 PolarHBondContact O-N 3.36Å; E282-L284 VanDerWaalsContact O-N 3.15Å; E282-R285 WeakPolarHBondContact O-CB 3.45Å; E282-R285 PolarHBondContact O-N 3.31Å; E282-K318 IonicContact OE2-NZ 2.64Å; E282-K318 PolarHBondContact OE2-NZ 2.95Å
283A98.3Very high97.9Very high65 Ų6552.7 Ų52.754%0.53727%0.274SS..Iπ-helixtrans-57.2-35.5-175.100000114.2T248 N278 I279T248-A283 HydrophobicContact CG2-CB 4.15Å; N278-A283 WeakPolarHBondContact O-CB 3.44Å; N278-A283 PolarHBondContact O-N 3.44Å; I279-A283 PolarHBondContact O-N 2.82Å
284L98.5Very high97.9Very high7 Ų749.9 Ų49.94%0.03727%0.267CS..THydrogen-bonded Turntrans-111.20.4-178.5-55.8-177.8000113.4T248 L255 I279 W280 E282 D286 K287 V288T248-L284 HydrophobicContact CG2-CD2 4.39Å; L255-L284 HydrophobicContact CD1-CB 4.04Å; L255-L284 HydrophobicContact CD1-CD1 4.12Å; L255-L284 HydrophobicContact CD1-CD2 4.45Å; L255-L284 HydrophobicContact CD1-CG 4.44Å; I279-L284 HydrophobicContact CG2-CD1 3.87Å; I279-L284 HydrophobicContact CG2-CG 4.2Å; I279-L284 WeakPolarHBondContact O-CB 3.39Å; I279-L284 PolarHBondContact O-N 3.38Å; W280-L284 HydrophobicContact CE3-CB 4.31Å; W280-L284 HydrophobicContact CE3-CD1 4.04Å; W280-L284 HydrophobicContact CH2-CD1 4.49Å; W280-L284 HydrophobicContact CZ3-CD1 3.9Å; E282-L284 VanDerWaalsContact C-N 3.26Å; E282-L284 PolarHBondContact O-N 3.36Å; E282-L284 VanDerWaalsContact O-N 3.15Å; L284-D286 VanDerWaalsContact C-N 3.35Å; L284-D286 PolarHBondContact O-N 3.05Å; L284-K287 WeakPolarHBondContact O-CB 3.47Å; L284-K287 PolarHBondContact O-N 3.31Å; L284-V288 WeakPolarHBondContact O-CG2 3.42Å; L284-V288 PolarHBondContact O-N 3.31Å
285R98.4Very high97.9Very high81 Ų8147.3 Ų47.331%0.30625%0.253SS..Hα-helixtrans-54.3-48.8-170.9-177.5-173.5173.4-81.6-0.4112.7W280 G281 E282 K287 V288 I289 K318 F319W280-R285 VanDerWaalsContact O-CA 3.23Å; W280-R285 WeakPolarHBondContact O-CA 3.34Å; W280-R285 PolarHBondContact O-N 3.12Å; G281-R285 WeakPolarHBondContact O-CD 3.45Å; E282-R285 WeakPolarHBondContact O-CB 3.45Å; E282-R285 PolarHBondContact O-N 3.31Å; R285-K287 VanDerWaalsContact C-N 3.31Å; R285-K287 PolarHBondContact O-N 3.33Å; R285-V288 PolarHBondContact O-N 3.45Å; R285-V288 VanDerWaalsContact O-N 3.14Å; R285-I289 HydrophobicContact CG-CD1 3.78Å; R285-I289 VanDerWaalsContact NH1-CD1 3.31Å; R285-I289 WeakPolarHBondContact O-CG1 3.4Å; R285-I289 PolarHBondContact O-N 3.22Å; R285-K318 PolarHBondContact NE-O 3.38Å; R285-F319 HydrophobicContact CG-CD1 4.26Å; R285-F319 HydrophobicContact CG-CE1 3.87Å; R285-F319 HydrophobicContact CG-CZ 4.22Å
286D97.7Very high97.9Very high102 Ų10247.9 Ų47.955%0.54526%0.257SS..Hα-helixtrans-67.5-34.6-177.4-69.1-14.5000111.6L284 V288 N290L284-D286 VanDerWaalsContact C-N 3.35Å; L284-D286 PolarHBondContact O-N 3.05Å; D286-V288 VanDerWaalsContact C-N 3.34Å; D286-N290 VanDerWaalsContact O-CB 3.28Å; D286-N290 WeakPolarHBondContact O-CB 3.44Å; D286-N290 VanDerWaalsContact O-CG 3.3Å; D286-N290 PolarHBondContact O-N 3.46Å; D286-N290 PolarHBondContact O-ND2 3.24Å
287K97.6Very high97.9Very high100 Ų10047.9 Ų47.944%0.43526%0.257SS..Hα-helixtrans-65.9-38.5173-68-171.7179.8-174.90111.5S252 L255 L284 R285 R291S252-K287 PolarHBondContact OG-NZ 3.43Å; L255-K287 HydrophobicContact CD1-CB 3.83Å; L255-K287 HydrophobicContact CD1-CD 4.18Å; L284-K287 WeakPolarHBondContact O-CB 3.47Å; L284-K287 PolarHBondContact O-N 3.31Å; R285-K287 VanDerWaalsContact C-N 3.31Å; R285-K287 PolarHBondContact O-N 3.33Å; K287-R291 WeakPolarHBondContact O-CB 3.38Å; K287-R291 PolarHBondContact O-N 2.96Å
288V98.2Very high97.9Very high0 Ų047.4 Ų47.40%025%0.25CS..Hα-helixtrans-67-46.8177.5175.30000111.1L255 W280 L284 R285 D286 R291 V295 F319 C334L255-V288 HydrophobicContact CD1-CG2 4.34Å; L255-V288 HydrophobicContact CD2-CG2 4.25Å; W280-V288 HydrophobicContact CE3-CG2 3.94Å; W280-V288 HydrophobicContact CZ3-CG2 4.25Å; L284-V288 WeakPolarHBondContact O-CG2 3.42Å; L284-V288 PolarHBondContact O-N 3.31Å; R285-V288 PolarHBondContact O-N 3.45Å; R285-V288 VanDerWaalsContact O-N 3.14Å; D286-V288 VanDerWaalsContact C-N 3.34Å; V288-R291 WeakPolarHBondContact O-CB 3.19Å; V288-R291 PolarHBondContact O-N 3.46Å; V288-V295 HydrophobicContact CG1-CB 4.32Å; V288-V295 HydrophobicContact CG1-CG2 4.01Å; V288-V295 HydrophobicContact CG2-CG2 4.16Å; V288-F319 HydrophobicContact CB-CE1 4.03Å; V288-F319 HydrophobicContact CB-CZ 4.38Å; V288-F319 HydrophobicContact CG1-CE1 3.8Å; V288-F319 HydrophobicContact CG1-CZ 4.22Å; V288-C334 HydrophobicContact CG1-CB 4.34Å
289I97.6Very high97.8Very high64 Ų6444.1 Ų44.133%0.32823%0.233SC..Hα-helixtrans-67.6-38.8-177.4-69.1171.1000112.1R285 R291 F319R285-I289 HydrophobicContact CG-CD1 3.78Å; R285-I289 VanDerWaalsContact NH1-CD1 3.31Å; R285-I289 WeakPolarHBondContact O-CG1 3.4Å; R285-I289 PolarHBondContact O-N 3.22Å; I289-R291 PolarHBondContact O-N 3.01Å; I289-F319 HydrophobicContact CD1-CD1 4.05Å; I289-F319 HydrophobicContact CD1-CE1 4.4Å; I289-F319 HydrophobicContact CG1-CD1 3.9Å; I289-F319 HydrophobicContact CG1-CE1 4.05Å
290N96.7Very high97.6Very high135 Ų13545 Ų4572%0.72224%0.238SC*.THydrogen-bonded Turntrans-82.61.3-177.9-65.9-49000113.5D286D286-N290 VanDerWaalsContact O-CB 3.28Å; D286-N290 WeakPolarHBondContact O-CB 3.44Å; D286-N290 VanDerWaalsContact O-CG 3.3Å; D286-N290 PolarHBondContact O-N 3.46Å; D286-N290 PolarHBondContact O-ND2 3.24Å
291R96Very high97.2Very high25 Ų2547.8 Ų47.89%0.09426%0.257CS..SBendtrans-84143.8-179.9-153.1173.966.784.16.5111.7Y258 P259 D260 G261 K287 V288 I289 G293 T294Y258-R291 PolarHBondContact O-NH1 2.95Å; Y258-R291 VanDerWaalsContact O-NH1 3.12Å; P259-R291 WeakPolarHBondContact O-CG 3.24Å; D260-R291 PolarHBondContact O-NH1 3.39Å; G261-R291 PolarHBondContact O-NH1 2.97Å; G261-R291 PolarHBondContact O-NH2 2.87Å; K287-R291 WeakPolarHBondContact O-CB 3.38Å; K287-R291 PolarHBondContact O-N 2.96Å; V288-R291 WeakPolarHBondContact O-CB 3.19Å; V288-R291 PolarHBondContact O-N 3.46Å; I289-R291 PolarHBondContact O-N 3.01Å; R291-G293 PolarHBondContact O-N 3.41Å; R291-G293 VanDerWaalsContact O-N 3.12Å; R291-T294 PolarHBondContact NH2-O 3.21Å
292N96.1Very high97Very high136 Ų13650.1 Ų50.173%0.72728%0.281SS*.BIsolated β-bridgetrans-8478.4169-176.429000110.8D260 G261D260-N292 CarbonylContact C-O 3.56Å; D260-N292 VanDerWaalsContact CA-O 3.3Å; D260-N292 WeakPolarHBondContact CA-O 3.49Å; D260-N292 WeakPolarHBondContact CB-O 3.32Å; G261-N292 PolarHBondContact N-O 3.29Å
293G96.5Very high96.9Very high19 Ų1948.6 Ų48.620%0.19628%0.277CS..SBendtrans162.4-174.8179.800000113.6G261 R291 C334G261-G293 VanDerWaalsContact O-CA 3.23Å; G261-G293 WeakPolarHBondContact O-CA 3.37Å; R291-G293 PolarHBondContact O-N 3.41Å; R291-G293 VanDerWaalsContact O-N 3.12Å; G293-C334 WeakPolarHBondContact O-CA 3.3Å
294T98.1Very high96.8Very high30 Ų3046.1 Ų46.118%0.18426%0.255CS..  trans-116.3128.2-178.2-53.80000111.4G261 T262 F263 R291 V296 S333 C334 R336G261-T294 PolarHBondContact O-N 3.27Å; T262-T294 VanDerWaalsContact CA-O 3.29Å; T262-T294 WeakPolarHBondContact CA-O 3.29Å; T262-T294 WeakPolarHBondContact CG2-O 3.34Å; F263-T294 PolarHBondContact N-O 2.78Å; R291-T294 PolarHBondContact NH2-O 3.21Å; T294-V296 HydrophobicContact CG2-CG2 4.22Å; T294-S333 WeakPolarHBondContact CB-O 3.28Å; T294-S333 WeakPolarHBondContact CG2-O 3.37Å; T294-S333 PolarHBondContact OG1-O 3Å; T294-C334 CarbonylContact C-O 2.87Å; T294-C334 WeakPolarHBondContact CA-O 3.48Å; T294-R336 HydrophobicContact CG2-CB 3.95Å; T294-R336 HydrophobicContact CG2-CG 3.67Å
295V98.6Very high96.8Very high0 Ų048.1 Ų48.10%027%0.267CS..EExtended strand (participates in β ladder)trans-88.3125.2165.7179.50000108.1L255 F263 W280 V288 I297 C334 I335 R336L255-V295 HydrophobicContact CD2-CG2 4.04Å; F263-V295 HydrophobicContact CE1-CG2 3.79Å; F263-V295 HydrophobicContact CE2-CG1 4.06Å; F263-V295 HydrophobicContact CE2-CG2 4.48Å; F263-V295 HydrophobicContact CZ-CB 4.42Å; F263-V295 HydrophobicContact CZ-CG1 4.04Å; F263-V295 HydrophobicContact CZ-CG2 3.7Å; W280-V295 HydrophobicContact CE3-CG1 4.34Å; W280-V295 HydrophobicContact CH2-CG1 4.22Å; W280-V295 HydrophobicContact CZ3-CG1 4.09Å; V288-V295 HydrophobicContact CG1-CB 4.32Å; V288-V295 HydrophobicContact CG1-CG2 4.01Å; V288-V295 HydrophobicContact CG2-CG2 4.16Å; V295-I297 HydrophobicContact CG1-CD1 3.97Å; V295-C334 PolarHBondContact N-O 3.29Å; V295-I335 VanDerWaalsContact O-CA 3.31Å; V295-I335 WeakPolarHBondContact O-CA 3.49Å; V295-R336 PolarHBondContact O-N 3.47Å
296V98.7Very high96.7Very high12 Ų1247.5 Ų47.57%0.07327%0.273CS..EExtended strand (participates in β ladder)trans-104.9111.2178.5-168.80000109.2I231 T262 F263 A264 C265 T294 R336 I338I231-V296 HydrophobicContact CD1-CG2 4.45Å; T262-V296 HydrophobicContact CG2-CG2 3.63Å; F263-V296 PolarHBondContact O-N 2.97Å; A264-V296 CarbonylContact C-O 3.57Å; A264-V296 VanDerWaalsContact CA-O 3.24Å; A264-V296 WeakPolarHBondContact CA-O 3.38Å; A264-V296 HydrophobicContact CB-CB 4.02Å; C265-V296 PolarHBondContact N-O 2.85Å; T294-V296 HydrophobicContact CG2-CG2 4.22Å; V296-R336 CarbonylContact C-O 3.59Å; V296-R336 WeakPolarHBondContact CA-O 3.47Å; V296-R336 HydrophobicContact CG1-CB 4.47Å; V296-R336 HydrophobicContact CG2-CB 4.44Å; V296-I338 HydrophobicContact CG1-CB 3.71Å; V296-I338 HydrophobicContact CG1-CG2 3.49Å; V296-I338 VanDerWaalsContact CG1-CG2 3.49Å
297I98.5Very high96.7Very high0 Ų043 Ų430%025%0.249CC..EExtended strand (participates in β ladder)trans-75.5126.7177.8-55.6-54.1000108.8I272 W280 V295 P299 V311 L315 I335 R336 V337 I338I272-I297 HydrophobicContact CD1-CG2 4.12Å; W280-I297 HydrophobicContact CB-CD1 4.43Å; W280-I297 VanDerWaalsContact CD1-CD1 3.46Å; W280-I297 HydrophobicContact CD2-CD1 3.87Å; W280-I297 HydrophobicContact CG-CD1 3.69Å; V295-I297 HydrophobicContact CG1-CD1 3.97Å; I297-P299 WeakPolarHBondContact O-CD 3.39Å; I297-V311 HydrophobicContact CG2-CG1 4.5Å; I297-L315 HydrophobicContact CB-CD1 4.42Å; I297-L315 HydrophobicContact CG1-CD1 4Å; I297-I335 HydrophobicContact CD1-CD1 4.35Å; I297-I335 HydrophobicContact CG1-CD1 3.98Å; I297-I335 HydrophobicContact CG1-CG1 4.1Å; I297-R336 PolarHBondContact N-O 3.1Å; I297-V337 CarbonylContact O-C 3.52Å; I297-V337 VanDerWaalsContact O-CA 3.25Å; I297-V337 WeakPolarHBondContact O-CA 3.47Å; I297-V337 WeakPolarHBondContact O-CG1 3.25Å; I297-I338 PolarHBondContact O-N 3.34Å
298R98Very high96.8Very high20 Ų2038.3 Ų38.38%0.07523%0.228CC..EExtended strand (participates in β ladder)trans-114.598-179.2180-178.3165.8-177.9-4.4111.3C265 V266 S267 D300 I338C265-R298 WeakPolarHBondContact O-CB 3.27Å; C265-R298 PolarHBondContact O-N 3.18Å; V266-R298 WeakPolarHBondContact CA-O 3.38Å; S267-R298 PolarHBondContact N-O 2.63Å; R298-D300 IonicContact CZ-OD1 3.94Å; R298-D300 IonicContact NE-OD1 2.7Å; R298-D300 PolarHBondContact NE-OD1 3.13Å; R298-D300 IonicContact NH2-OD1 3.54Å; R298-D300 PolarHBondContact NH2-OD1 3.14Å; R298-D300 IonicContact NH2-OD2 3.94Å; R298-D300 PolarHBondContact NH2-OD2 3.26Å; R298-I338 WeakPolarHBondContact CA-O 3.3Å; R298-I338 HydrophobicContact CB-CG2 3.69Å; R298-I338 HydrophobicContact CG-CG2 3.94Å
299P96.5Very high96.8Very high0 Ų039 Ų390%023%0.233CC..  trans-68.9138.9156.927.3-33.1000110.9I272 I297 V307 M308 V337 I338 G340I272-P299 HydrophobicContact CD1-CB 4.35Å; I272-P299 HydrophobicContact CG1-CB 4.35Å; I297-P299 WeakPolarHBondContact O-CD 3.39Å; P299-V307 HydrophobicContact CB-CG1 3.74Å; P299-V307 HydrophobicContact CG-CG1 4.21Å; P299-M308 HydrophobicContact CG-SD 3.91Å; P299-V337 HydrophobicContact CG-CG1 4.08Å; P299-I338 WeakPolarHBondContact CD-O 3.49Å; P299-G340 PolarHBondContact O-N 3.01Å
300D93.8Very high96.8Very high24 Ų2441.1 Ų41.113%0.12824%0.24CC..  trans-137.319.8-176.7-147.861.9000111.8H236 V266 D268 R298 D341H236-D300 IonicContact CE1-OD2 3.51Å; H236-D300 PolarHBondContact CE1-OD2 3.38Å; V266-D300 HydrophobicContact CG2-CB 4.01Å; D268-D300 WeakPolarHBondContact OD2-CA 3.41Å; D268-D300 PolarHBondContact OD2-N 2.93Å; R298-D300 IonicContact CZ-OD1 3.94Å; R298-D300 IonicContact NE-OD1 2.7Å; R298-D300 PolarHBondContact NE-OD1 3.13Å; R298-D300 IonicContact NH2-OD1 3.54Å; R298-D300 PolarHBondContact NH2-OD1 3.14Å; R298-D300 IonicContact NH2-OD2 3.94Å; R298-D300 PolarHBondContact NH2-OD2 3.26Å; D300-D341 VanDerWaalsContact O-CB 3.24Å; D300-D341 WeakPolarHBondContact O-CB 3.4Å; D300-D341 PolarHBondContact OD1-N 2.7Å
301S92.2Very high96.9Very high58 Ų5834.7 Ų34.741%0.40621%0.206SC..SBendtrans-154.7164.7179.267.10000112.3D268D268-S301 VanDerWaalsContact OD2-CB 3.27Å; D268-S301 WeakPolarHBondContact OD2-CB 3.43Å; D268-S301 PolarHBondContact OD2-N 3.43Å; D268-S301 PolarHBondContact OD2-OG 2.97Å
302G92.8Very high97.1Very high52 Ų5233.5 Ų33.554%0.53620%0.201SC..SBendtrans81.3-177.6-176.900000113.4P304G302-P304 VanDerWaalsContact O-CD 3.27Å; G302-P304 WeakPolarHBondContact O-CD 3.25Å
303D95.9Very high97.2Very high91 Ų9130.5 Ų30.549%0.48719%0.185SC..  trans-80.7114.2174178.4-0.9000109.7V305 V306 V307D303-V305 PolarHBondContact O-N 2.85Å; D303-V305 VanDerWaalsContact O-N 3.11Å; D303-V305 WeakPolarHBondContact OD1-CB 3.41Å; D303-V305 PolarHBondContact OD1-N 3.04Å; D303-V306 HydrophobicContact CB-CB 4.49Å; D303-V306 HydrophobicContact CB-CG2 4.33Å; D303-V306 PolarHBondContact O-N 2.73Å; D303-V307 WeakPolarHBondContact O-CG2 3.49Å; D303-V307 PolarHBondContact O-N 3.3Å
304P96.9Very high97.3Very high12 Ų1231.4 Ų31.48%0.07819%0.185CC..Hα-helixtrans-58.3-26.7-178.3-2839.1000114.6G302 V306 M308 Q339 I351G302-P304 VanDerWaalsContact O-CD 3.27Å; G302-P304 WeakPolarHBondContact O-CD 3.25Å; P304-V306 PolarHBondContact O-N 2.92Å; P304-M308 VanDerWaalsContact O-CB 3.29Å; P304-M308 WeakPolarHBondContact O-CB 3.29Å; P304-M308 VanDerWaalsContact O-CG 3.29Å; P304-M308 WeakPolarHBondContact O-CG 3.4Å; P304-M308 PolarHBondContact O-N 3.37Å; P304-Q339 HydrophobicContact CB-CG 3.92Å; P304-Q339 HydrophobicContact CG-CG 4.03Å; P304-I351 HydrophobicContact CB-CD1 3.5Å; P304-I351 VanDerWaalsContact CB-CD1 3.5Å; P304-I351 HydrophobicContact CB-CG1 3.72Å; P304-I351 HydrophobicContact CB-CG2 4.48Å; P304-I351 HydrophobicContact CG-CD1 4.17Å
305V97.8Very high97.3Very high49 Ų4930 Ų3030%0.29718%0.176SC..Hα-helixtrans-64.9-31.1176.21780000111.3D303 P309 P350 I351 S354D303-V305 PolarHBondContact O-N 2.85Å; D303-V305 VanDerWaalsContact O-N 3.11Å; D303-V305 WeakPolarHBondContact OD1-CB 3.41Å; D303-V305 PolarHBondContact OD1-N 3.04Å; V305-P309 VanDerWaalsContact O-CD 3.32Å; V305-P309 WeakPolarHBondContact O-CD 3.32Å; V305-P309 WeakPolarHBondContact O-CG 3.37Å; V305-P350 HydrophobicContact CG2-CB 3.9Å; V305-I351 HydrophobicContact CG2-CG1 3.96Å; V305-S354 WeakPolarHBondContact O-CB 3.39Å; V305-S354 PolarHBondContact O-OG 3.47Å
306V97.6Very high97.3Very high68 Ų6830 Ų3041%0.41218%0.177SC..Hα-helixtrans-91.9-40.6177179.70000111D303 P304 K310D303-V306 HydrophobicContact CB-CB 4.49Å; D303-V306 HydrophobicContact CB-CG2 4.33Å; D303-V306 PolarHBondContact O-N 2.73Å; P304-V306 PolarHBondContact O-N 2.92Å; V306-K310 HydrophobicContact CG1-CD 4.16Å; V306-K310 WeakPolarHBondContact O-CG 3.29Å
307V97.7Very high97.3Very high9 Ų933.8 Ų33.86%0.05520%0.204CC..Hα-helixtrans-70.2-46.8-172172.10000111.5W273 P299 D303 K310 V311W273-V307 HydrophobicContact CH2-CB 4.35Å; W273-V307 HydrophobicContact CH2-CG1 4.17Å; W273-V307 HydrophobicContact CH2-CG2 4.21Å; P299-V307 HydrophobicContact CB-CG1 3.74Å; P299-V307 HydrophobicContact CG-CG1 4.21Å; D303-V307 WeakPolarHBondContact O-CG2 3.49Å; D303-V307 PolarHBondContact O-N 3.3Å; V307-K310 PolarHBondContact O-N 2.94Å; V307-V311 HydrophobicContact CG1-CG2 3.91Å; V307-V311 WeakPolarHBondContact O-CG2 3.34Å; V307-V311 PolarHBondContact O-N 3.04Å
308M98.3Very high97.3Very high0 Ų036.3 Ų36.30%022%0.215CC..Hα-helixtrans-62.1-49.2-172.4-69.8-62.7-65.600113.5P299 P304 K310 V311 L312 V337 Q339 I351 I355 V365P299-M308 HydrophobicContact CG-SD 3.91Å; P304-M308 VanDerWaalsContact O-CB 3.29Å; P304-M308 WeakPolarHBondContact O-CB 3.29Å; P304-M308 VanDerWaalsContact O-CG 3.29Å; P304-M308 WeakPolarHBondContact O-CG 3.4Å; P304-M308 PolarHBondContact O-N 3.37Å; M308-K310 VanDerWaalsContact C-N 3.33Å; M308-K310 PolarHBondContact O-N 3.11Å; M308-V311 PolarHBondContact O-N 2.87Å; M308-L312 VanDerWaalsContact O-CG 3.29Å; M308-L312 WeakPolarHBondContact O-CG 3.29Å; M308-L312 PolarHBondContact O-N 3.39Å; M308-L312 VanDerWaalsContact O-N 3.07Å; M308-V337 HydrophobicContact CE-CB 4.02Å; M308-V337 HydrophobicContact CE-CG1 3.56Å; M308-V337 HydrophobicContact SD-CG1 3.79Å; M308-Q339 HydrophobicContact CE-CB 4.43Å; M308-Q339 HydrophobicContact CG-CB 4.34Å; M308-Q339 HydrophobicContact SD-CB 3.77Å; M308-I351 HydrophobicContact CB-CG2 4.39Å; M308-I351 HydrophobicContact CG-CG2 4.05Å; M308-I355 HydrophobicContact CB-CD1 3.98Å; M308-I355 HydrophobicContact CB-CG1 3.98Å; M308-I355 HydrophobicContact CE-CD1 4.26Å; M308-V365 HydrophobicContact CE-CB 3.91Å; M308-V365 HydrophobicContact CE-CG1 3.35Å
309P98.4Very high97.3Very high16 Ų1636 Ų3610%0.10421%0.214CC..Hα-helixtrans-58.9-41.7175.6-26.436.7000113.3V305 L312 D313 S354 A358V305-P309 VanDerWaalsContact O-CD 3.32Å; V305-P309 WeakPolarHBondContact O-CD 3.32Å; V305-P309 WeakPolarHBondContact O-CG 3.37Å; P309-L312 PolarHBondContact O-N 2.76Å; P309-D313 PolarHBondContact O-N 3.05Å; P309-S354 WeakPolarHBondContact CG-OG 3.29Å; P309-A358 HydrophobicContact CB-CB 3.8Å; P309-A358 HydrophobicContact CG-CB 4.49Å
310K98.4Very high97.4Very high108 Ų10837.5 Ų37.547%0.4723%0.229SC..Hα-helixtrans-66.8-43.4-179.2-73.1-176178.4-176.40112.6W273 V306 V307 M308 L312 D313 I314W273-K310 HydrophobicContact CE3-CB 4.41Å; W273-K310 HydrophobicContact CH2-CB 3.78Å; W273-K310 HydrophobicContact CH2-CD 3.98Å; W273-K310 HydrophobicContact CZ2-CD 4.31Å; W273-K310 HydrophobicContact CZ3-CB 3.54Å; W273-K310 HydrophobicContact CZ3-CD 4.42Å; V306-K310 HydrophobicContact CG1-CD 4.16Å; V306-K310 WeakPolarHBondContact O-CG 3.29Å; V307-K310 PolarHBondContact O-N 2.94Å; M308-K310 VanDerWaalsContact C-N 3.33Å; M308-K310 PolarHBondContact O-N 3.11Å; K310-L312 VanDerWaalsContact C-N 3.3Å; K310-L312 PolarHBondContact O-N 3.45Å; K310-D313 PolarHBondContact O-N 3.34Å; K310-I314 WeakPolarHBondContact O-CG1 3.49Å; K310-I314 PolarHBondContact O-N 3.21Å
311V98.7Very high97.6Very high0 Ų042.1 Ų42.10%025%0.246CC..Hα-helixtrans-58.3-47.1174169.40000109.7I272 W273 I297 V307 M308 D313 I314 L315 V337I272-V311 HydrophobicContact CD1-CG2 4.48Å; I272-V311 HydrophobicContact CG1-CG2 3.83Å; W273-V311 HydrophobicContact CZ3-CG2 3.79Å; I297-V311 HydrophobicContact CG2-CG1 4.5Å; V307-V311 HydrophobicContact CG1-CG2 3.91Å; V307-V311 WeakPolarHBondContact O-CG2 3.34Å; V307-V311 PolarHBondContact O-N 3.04Å; M308-V311 PolarHBondContact O-N 2.87Å; V311-D313 PolarHBondContact O-N 3.12Å; V311-I314 PolarHBondContact O-N 3.43Å; V311-L315 HydrophobicContact CG1-CD1 3.79Å; V311-L315 HydrophobicContact CG1-CG 4.23Å; V311-L315 WeakPolarHBondContact O-CB 3.5Å; V311-L315 VanDerWaalsContact O-CG 3.28Å; V311-L315 WeakPolarHBondContact O-CG 3.32Å; V311-L315 PolarHBondContact O-N 2.8Å; V311-V337 HydrophobicContact CG1-CG1 4.06Å; V311-V337 HydrophobicContact CG1-CG2 3.86Å
312L98.9Very high97.9Very high0 Ų045.3 Ų45.30%025%0.252CS..Hα-helixtrans-62.6-41.4178.8-68.5170.3000112.5M308 P309 K310 G316 L331 V337 I355 W360 N364 V365M308-L312 VanDerWaalsContact O-CG 3.29Å; M308-L312 WeakPolarHBondContact O-CG 3.29Å; M308-L312 PolarHBondContact O-N 3.39Å; M308-L312 VanDerWaalsContact O-N 3.07Å; P309-L312 PolarHBondContact O-N 2.76Å; K310-L312 VanDerWaalsContact C-N 3.3Å; K310-L312 PolarHBondContact O-N 3.45Å; L312-G316 WeakPolarHBondContact O-CA 3.4Å; L312-G316 PolarHBondContact O-N 3.42Å; L312-L331 HydrophobicContact CD2-CD1 3.71Å; L312-V337 HydrophobicContact CD2-CG2 3.78Å; L312-I355 HydrophobicContact CD1-CG1 4.13Å; L312-I355 HydrophobicContact CD1-CG2 3.78Å; L312-W360 HydrophobicContact CB-CD2 3.71Å; L312-W360 HydrophobicContact CB-CE3 4.29Å; L312-W360 HydrophobicContact CB-CG 3.83Å; L312-W360 HydrophobicContact CB-CZ2 4.39Å; L312-W360 HydrophobicContact CD1-CB 3.82Å; L312-W360 HydrophobicContact CD1-CD2 4.4Å; L312-W360 HydrophobicContact CD1-CG 3.88Å; L312-W360 HydrophobicContact CG-CG 4.44Å; L312-W360 WeakPolarHBondContact O-CH2 3.45Å; L312-W360 WeakPolarHBondContact O-CZ2 3.26Å; L312-N364 HydrophobicContact CD2-CB 3.78Å; L312-V365 HydrophobicContact CD1-CG1 4.1Å; L312-V365 HydrophobicContact CD2-CG1 4.31Å
313D98.8Very high98.2Very high73 Ų7347.5 Ų47.539%0.3925%0.251SS..Hα-helixtrans-63.7-43.3176-77.9-27.5000112.5P309 K310 V311 G316 S317 K329 W360P309-D313 PolarHBondContact O-N 3.05Å; K310-D313 PolarHBondContact O-N 3.34Å; V311-D313 PolarHBondContact O-N 3.12Å; D313-G316 PolarHBondContact O-N 2.98Å; D313-S317 WeakPolarHBondContact O-CB 3.31Å; D313-S317 PolarHBondContact O-N 3.21Å; D313-K329 IonicContact OD1-NZ 3.55Å; D313-K329 PolarHBondContact OD1-NZ 2.99Å; D313-K329 VanDerWaalsContact OD1-NZ 3.14Å; D313-W360 PolarHBondContact OD1-NE1 3.28Å
314I98.8Very high98.3Very high37 Ų3743.8 Ų43.819%0.1923%0.231CC..Hα-helixtrans-63.2-51.8177-68.1164.8000110.1W273 C276 K310 V311 G316 S317 K318W273-I314 HydrophobicContact CB-CD1 4.28Å; W273-I314 HydrophobicContact CD2-CD1 4.35Å; W273-I314 HydrophobicContact CE3-CD1 3.56Å; W273-I314 HydrophobicContact CZ3-CD1 4.33Å; C276-I314 HydrophobicContact CB-CB 4.35Å; C276-I314 HydrophobicContact CB-CG2 3.67Å; K310-I314 WeakPolarHBondContact O-CG1 3.49Å; K310-I314 PolarHBondContact O-N 3.21Å; V311-I314 PolarHBondContact O-N 3.43Å; I314-G316 VanDerWaalsContact C-N 3.28Å; I314-G316 PolarHBondContact O-N 3.43Å; I314-S317 PolarHBondContact O-N 3.48Å; I314-S317 VanDerWaalsContact O-N 3.13Å; I314-S317 PolarHBondContact O-OG 2.99Å; I314-K318 WeakPolarHBondContact O-CG 3.34Å; I314-K318 PolarHBondContact O-N 3.24Å; I314-K318 VanDerWaalsContact O-N 3.12Å
315L98.8Very high98.4Very high0 Ų048 Ų480%026%0.261CS..Hα-helixtrans-61.4-40.2178.9-65.9-179.7000111.1C276 I297 V311 S317 K318 F319 L331 I335 V337C276-L315 HydrophobicContact CB-CD2 3.87Å; C276-L315 HydrophobicContact CB-CG 4.39Å; I297-L315 HydrophobicContact CB-CD1 4.42Å; I297-L315 HydrophobicContact CG1-CD1 4Å; V311-L315 HydrophobicContact CG1-CD1 3.79Å; V311-L315 HydrophobicContact CG1-CG 4.23Å; V311-L315 WeakPolarHBondContact O-CB 3.5Å; V311-L315 VanDerWaalsContact O-CG 3.28Å; V311-L315 WeakPolarHBondContact O-CG 3.32Å; V311-L315 PolarHBondContact O-N 2.8Å; L315-S317 VanDerWaalsContact C-N 3.34Å; L315-S317 PolarHBondContact O-N 3.11Å; L315-K318 PolarHBondContact O-N 3Å; L315-F319 HydrophobicContact CD2-CD2 4.28Å; L315-F319 HydrophobicContact CD2-CE2 4.04Å; L315-F319 WeakPolarHBondContact O-CB 3.24Å; L315-F319 WeakPolarHBondContact O-CD2 3.46Å; L315-F319 PolarHBondContact O-N 2.95Å; L315-L331 HydrophobicContact CB-CD1 4.33Å; L315-L331 HydrophobicContact CB-CD2 4.1Å; L315-L331 HydrophobicContact CD1-CD1 4.36Å; L315-I335 HydrophobicContact CD1-CD1 4.08Å; L315-I335 HydrophobicContact CD1-CG1 4.29Å; L315-I335 HydrophobicContact CD2-CD1 3.71Å; L315-I335 HydrophobicContact CG-CD1 4.4Å; L315-V337 HydrophobicContact CD1-CG2 3.73Å
316G98.7Very high98.4Very high2 Ų249.4 Ų49.42%0.02126%0.263CS..Hα-helixtrans-58.1-42.2173.700000113.5L312 D313 I314 K318 G320L312-G316 WeakPolarHBondContact O-CA 3.4Å; L312-G316 PolarHBondContact O-N 3.42Å; D313-G316 PolarHBondContact O-N 2.98Å; I314-G316 VanDerWaalsContact C-N 3.28Å; I314-G316 PolarHBondContact O-N 3.43Å; G316-K318 VanDerWaalsContact C-N 3.34Å; G316-G320 CarbonylContact O-C 3.44Å; G316-G320 WeakPolarHBondContact O-CA 3.34Å; G316-G320 PolarHBondContact O-N 2.62Å
317S98.5Very high98.4Very high91 Ų9148.6 Ų48.664%0.63627%0.269SS*.Hα-helixtrans-68.3-32177.876.30000113D313 I314 L315D313-S317 WeakPolarHBondContact O-CB 3.31Å; D313-S317 PolarHBondContact O-N 3.21Å; I314-S317 PolarHBondContact O-N 3.48Å; I314-S317 VanDerWaalsContact O-N 3.13Å; I314-S317 PolarHBondContact O-OG 2.99Å; L315-S317 VanDerWaalsContact C-N 3.34Å; L315-S317 PolarHBondContact O-N 3.11Å
318K98.5Very high98.5Very high53 Ų5350.3 Ų50.323%0.2327%0.274CS..Hα-helixtrans-90-39-176.3-66.7-70.2-173.2150.70113.3S277 G281 E282 R285 I314 L315 G316S277-K318 WeakPolarHBondContact O-CE 3.37Å; S277-K318 PolarHBondContact O-NZ 3.29Å; S277-K318 WeakPolarHBondContact OG-CE 3.45Å; S277-K318 PolarHBondContact OG-NZ 3.03Å; G281-K318 WeakPolarHBondContact O-CD 3.18Å; E282-K318 IonicContact OE2-NZ 2.64Å; E282-K318 PolarHBondContact OE2-NZ 2.95Å; R285-K318 PolarHBondContact NE-O 3.38Å; I314-K318 WeakPolarHBondContact O-CG 3.34Å; I314-K318 PolarHBondContact O-N 3.24Å; I314-K318 VanDerWaalsContact O-N 3.12Å; L315-K318 PolarHBondContact O-N 3Å; G316-K318 VanDerWaalsContact C-N 3.34Å
319F98.5Very high98.5Very high13 Ų1352 Ų526%0.05728%0.281CS..Hα-helixtrans-100.8-13.1-177.2-69.8-91.1000113.6W280 R285 V288 I289 L315 P332 I335W280-F319 WeakPolarHBondContact O-CZ 3.46Å; R285-F319 HydrophobicContact CG-CD1 4.26Å; R285-F319 HydrophobicContact CG-CE1 3.87Å; R285-F319 HydrophobicContact CG-CZ 4.22Å; V288-F319 HydrophobicContact CB-CE1 4.03Å; V288-F319 HydrophobicContact CB-CZ 4.38Å; V288-F319 HydrophobicContact CG1-CE1 3.8Å; V288-F319 HydrophobicContact CG1-CZ 4.22Å; I289-F319 HydrophobicContact CD1-CD1 4.05Å; I289-F319 HydrophobicContact CD1-CE1 4.4Å; I289-F319 HydrophobicContact CG1-CD1 3.9Å; I289-F319 HydrophobicContact CG1-CE1 4.05Å; L315-F319 HydrophobicContact CD2-CD2 4.28Å; L315-F319 HydrophobicContact CD2-CE2 4.04Å; L315-F319 WeakPolarHBondContact O-CB 3.24Å; L315-F319 WeakPolarHBondContact O-CD2 3.46Å; L315-F319 PolarHBondContact O-N 2.95Å; F319-P332 HydrophobicContact CB-CG 4.18Å; F319-P332 WeakPolarHBondContact O-CG 3.47Å; F319-I335 HydrophobicContact CB-CG2 4.34Å; F319-I335 HydrophobicContact CD1-CG2 4.33Å; F319-I335 HydrophobicContact CD2-CD1 3.95Å; F319-I335 HydrophobicContact CD2-CG2 4.41Å; F319-I335 HydrophobicContact CE1-CD1 4.29Å; F319-I335 HydrophobicContact CE2-CD1 3.48Å; F319-I335 VanDerWaalsContact CE2-CD1 3.48Å; F319-I335 HydrophobicContact CG-CG2 4.12Å; F319-I335 HydrophobicContact CZ-CD1 3.66Å
320G98.2Very high98.5Very high31 Ų3151.2 Ų51.232%0.3228%0.277SS..  trans79.3-178.2-169.100000112G316 P332G316-G320 CarbonylContact O-C 3.44Å; G316-G320 WeakPolarHBondContact O-CA 3.34Å; G316-G320 PolarHBondContact O-N 2.62Å; G320-P332 VanDerWaalsContact O-CD 3.25Å; G320-P332 WeakPolarHBondContact O-CD 3.2Å
321Y98.4Very high98.5Very high122 Ų12246.1 Ų46.148%0.47826%0.255SS..  trans-157.8161.2174.353.8-97.8000110I323 K329 V330 W360Y321-I323 HydrophobicContact CD2-CD1 3.95Å; Y321-I323 HydrophobicContact CE2-CD1 3.8Å; Y321-I323 HydrophobicContact CE2-CG1 4.49Å; Y321-K329 HydrophobicContact CD1-CD 4.26Å; Y321-K329 HydrophobicContact CD2-CB 3.99Å; Y321-K329 HydrophobicContact CD2-CD 4.15Å; Y321-K329 HydrophobicContact CD2-CG 3.67Å; Y321-K329 HydrophobicContact CE1-CD 4.01Å; Y321-K329 HydrophobicContact CE2-CD 3.91Å; Y321-K329 HydrophobicContact CE2-CG 3.71Å; Y321-K329 HydrophobicContact CG-CB 4.11Å; Y321-K329 HydrophobicContact CG-CD 4.32Å; Y321-K329 HydrophobicContact CG-CG 4.12Å; Y321-V330 VanDerWaalsContact CA-O 3.3Å; Y321-V330 WeakPolarHBondContact CA-O 3.33Å; Y321-V330 WeakPolarHBondContact CB-O 3.35Å; Y321-W360 AromaticContact CD1-CH2 3.75Å; Y321-W360 HydrophobicContact CD1-CH2 3.75Å; Y321-W360 HydrophobicContact CD1-CZ2 4.49Å; Y321-W360 HydrophobicContact CG-CH2 4.09Å; Y321-W360 HydrophobicContact CG-CZ3 4.41Å
322K98.2Very high98.5Very high124 Ų12448.2 Ų48.254%0.53927%0.268SS..EExtended strand (participates in β ladder)trans-104154.3164.365.3178.2-178.3173.90109.8K329 V330K322-K329 CarbonylContact O-C 3.6Å; K322-K329 WeakPolarHBondContact O-CA 3.42Å; K322-V330 HydrophobicContact CG-CB 3.93Å; K322-V330 PolarHBondContact N-O 3.42Å; K322-V330 PolarHBondContact O-N 2.77Å
323I98.5Very high98.4Very high98 Ų9852.5 Ų52.550%0.50330%0.298SS..EExtended strand (participates in β ladder)trans-93.1127.1165.5-56.7-57.4000107.6Y321 Y328 K329Y321-I323 HydrophobicContact CD2-CD1 3.95Å; Y321-I323 HydrophobicContact CE2-CD1 3.8Å; Y321-I323 HydrophobicContact CE2-CG1 4.49Å; I323-Y328 WeakPolarHBondContact CA-O 3.48Å; I323-K329 HydrophobicContact CD1-CB 4.37Å; I323-K329 HydrophobicContact CD1-CG 3.62Å
324N98.3Very high98.4Very high14 Ų1449.6 Ų49.68%0.07528%0.284CS..  trans-84.3-177.4179.272.85.8000112.3T171 D173 K326 G327 Y328 V330T171-N324 PolarHBondContact O-ND2 2.77Å; D173-N324 WeakPolarHBondContact OD2-CB 3.18Å; N324-K326 PolarHBondContact O-N 2.99Å; N324-K326 PolarHBondContact OD1-N 3.18Å; N324-G327 PolarHBondContact O-N 3.18Å; N324-G327 VanDerWaalsContact O-N 3.13Å; N324-G327 PolarHBondContact OD1-N 3.48Å; N324-Y328 PolarHBondContact N-O 2.81Å; N324-Y328 PolarHBondContact OD1-N 3.22Å; N324-Y328 PolarHBondContact OD1-O 3Å; N324-V330 HydrophobicContact CB-CG2 3.94Å
325S98.1Very high98.4Very high100 Ų10047.9 Ų47.970%0.69927%0.274SS*.THydrogen-bonded Turntrans-62.8-17.5-176.977.90000114.4D173D173-S325 WeakPolarHBondContact OD1-CB 3.25Å; D173-S325 PolarHBondContact OD1-N 2.88Å; D173-S325 PolarHBondContact OD1-OG 2.52Å; D173-S325 PolarHBondContact OD2-N 3.22Å
326K98.2Very high98.3Very high78 Ų7849.7 Ų49.734%0.33928%0.282SS..THydrogen-bonded Turntrans-100.13.5-178.1-60.7-179.4-176.6171.80113.4H169 A172 N324 Y328H169-K326 WeakPolarHBondContact O-CE 3.1Å; H169-K326 PolarHBondContact O-NZ 2.88Å; A172-K326 VanDerWaalsContact O-CE 3.25Å; A172-K326 WeakPolarHBondContact O-CE 3.36Å; A172-K326 PolarHBondContact O-NZ 3.1Å; N324-K326 PolarHBondContact O-N 2.99Å; N324-K326 PolarHBondContact OD1-N 3.18Å; K326-Y328 HydrophobicContact CB-CD2 3.89Å; K326-Y328 HydrophobicContact CB-CE2 4.29Å; K326-Y328 WeakPolarHBondContact O-CD2 3.37Å; K326-Y328 VanDerWaalsContact O-CE2 3.32Å; K326-Y328 WeakPolarHBondContact O-CE2 3.45Å
327G98.3Very high98.3Very high52 Ų5249.6 Ų49.654%0.53628%0.281SS..SBendtrans84.113.3178.100000114.9N324N324-G327 PolarHBondContact O-N 3.18Å; N324-G327 VanDerWaalsContact O-N 3.13Å; N324-G327 PolarHBondContact OD1-N 3.48Å
328Y98.8Very high98.3Very high45 Ų4545.9 Ų45.918%0.17625%0.253CS..  trans-104.7146.3-178.6-67.3-92.5000112.3E170 T171 I323 N324 K326 K356 W360E170-Y328 VanDerWaalsContact O-CE2 3.29Å; E170-Y328 WeakPolarHBondContact O-CE2 3.29Å; T171-Y328 HydrophobicContact CG2-CD1 3.94Å; T171-Y328 HydrophobicContact CG2-CD2 4.15Å; T171-Y328 HydrophobicContact CG2-CE1 3.68Å; T171-Y328 HydrophobicContact CG2-CE2 3.9Å; T171-Y328 HydrophobicContact CG2-CG 4.18Å; I323-Y328 WeakPolarHBondContact CA-O 3.48Å; N324-Y328 PolarHBondContact N-O 2.81Å; N324-Y328 PolarHBondContact OD1-N 3.22Å; N324-Y328 PolarHBondContact OD1-O 3Å; K326-Y328 HydrophobicContact CB-CD2 3.89Å; K326-Y328 HydrophobicContact CB-CE2 4.29Å; K326-Y328 WeakPolarHBondContact O-CD2 3.37Å; K326-Y328 VanDerWaalsContact O-CE2 3.32Å; K326-Y328 WeakPolarHBondContact O-CE2 3.45Å; Y328-K356 HydrophobicContact CE1-CB 4.45Å; Y328-K356 HydrophobicContact CE1-CG 3.68Å; Y328-K356 WeakPolarHBondContact CE1-O 3.24Å; Y328-K356 VanDerWaalsContact OH-CE 3.28Å; Y328-K356 WeakPolarHBondContact OH-CE 3.4Å; Y328-W360 WeakPolarHBondContact CD1-O 3.44Å
329K98.8Very high98.2Very high34 Ų3443.4 Ų43.415%0.14824%0.242CC..EExtended strand (participates in β ladder)trans-70.5130.6177-62.2175.5-76.4179.20110.5D313 Y321 K322 I323 A358 G359 W360 S361 N364D313-K329 IonicContact OD1-NZ 3.55Å; D313-K329 PolarHBondContact OD1-NZ 2.99Å; D313-K329 VanDerWaalsContact OD1-NZ 3.14Å; Y321-K329 HydrophobicContact CD1-CD 4.26Å; Y321-K329 HydrophobicContact CD2-CB 3.99Å; Y321-K329 HydrophobicContact CD2-CD 4.15Å; Y321-K329 HydrophobicContact CD2-CG 3.67Å; Y321-K329 HydrophobicContact CE1-CD 4.01Å; Y321-K329 HydrophobicContact CE2-CD 3.91Å; Y321-K329 HydrophobicContact CE2-CG 3.71Å; Y321-K329 HydrophobicContact CG-CB 4.11Å; Y321-K329 HydrophobicContact CG-CD 4.32Å; Y321-K329 HydrophobicContact CG-CG 4.12Å; K322-K329 CarbonylContact O-C 3.6Å; K322-K329 WeakPolarHBondContact O-CA 3.42Å; I323-K329 HydrophobicContact CD1-CB 4.37Å; I323-K329 HydrophobicContact CD1-CG 3.62Å; K329-A358 VanDerWaalsContact CE-O 3.27Å; K329-A358 WeakPolarHBondContact CE-O 3.41Å; K329-A358 PolarHBondContact NZ-O 2.86Å; K329-G359 WeakPolarHBondContact CB-O 3.44Å; K329-G359 VanDerWaalsContact CE-O 3.29Å; K329-G359 WeakPolarHBondContact CE-O 3.33Å; K329-G359 WeakPolarHBondContact CG-O 3.37Å; K329-G359 PolarHBondContact N-O 3.47Å; K329-W360 HydrophobicContact CB-CD2 3.77Å; K329-W360 HydrophobicContact CB-CE3 3.33Å; K329-W360 HydrophobicContact CB-CH2 3.86Å; K329-W360 HydrophobicContact CB-CZ2 4.29Å; K329-W360 HydrophobicContact CB-CZ3 3.4Å; K329-W360 VanDerWaalsContact CB-CZ3 3.4Å; K329-W360 HydrophobicContact CD-CD2 4.28Å; K329-W360 HydrophobicContact CD-CH2 3.99Å; K329-W360 HydrophobicContact CD-CZ2 3.76Å; K329-W360 HydrophobicContact CD-CZ3 4.4Å; K329-W360 VanDerWaalsContact CE-CE2 3.44Å; K329-W360 HydrophobicContact CG-CH2 4.5Å; K329-W360 HydrophobicContact CG-CZ3 4.47Å; K329-S361 WeakPolarHBondContact O-CB 3.25Å; K329-S361 PolarHBondContact O-N 2.83Å; K329-N364 PolarHBondContact O-ND2 3.21Å
330V98.7Very high97.8Very high0 Ų043.1 Ų43.10%024%0.244CC..EExtended strand (participates in β ladder)trans-124.8124.2175.4-177.20000108.9Y321 K322 N324 E363 N364Y321-V330 VanDerWaalsContact CA-O 3.3Å; Y321-V330 WeakPolarHBondContact CA-O 3.33Å; Y321-V330 WeakPolarHBondContact CB-O 3.35Å; K322-V330 HydrophobicContact CG-CB 3.93Å; K322-V330 PolarHBondContact N-O 3.42Å; K322-V330 PolarHBondContact O-N 2.77Å; N324-V330 HydrophobicContact CB-CG2 3.94Å; V330-E363 WeakPolarHBondContact CG1-OE1 3.32Å; V330-N364 WeakPolarHBondContact CA-OD1 3.29Å
331L98.6Very high97.4Very high2 Ų245.4 Ų45.41%0.0125%0.248CC..  trans-64.2152.7176-68.4173.4000110.9L312 L315 I335 R336 W360 N364L312-L331 HydrophobicContact CD2-CD1 3.71Å; L315-L331 HydrophobicContact CB-CD1 4.33Å; L315-L331 HydrophobicContact CB-CD2 4.1Å; L315-L331 HydrophobicContact CD1-CD1 4.36Å; L331-I335 HydrophobicContact CB-CG2 4.2Å; L331-I335 HydrophobicContact CD1-CG2 4.4Å; L331-R336 PolarHBondContact O-NH1 2.65Å; L331-R336 PolarHBondContact O-NH2 3.38Å; L331-W360 HydrophobicContact CD2-CH2 4Å; L331-W360 HydrophobicContact CD2-CZ3 3.75Å; L331-W360 HydrophobicContact CG-CZ3 3.93Å; L331-N364 WeakPolarHBondContact CB-OD1 3.38Å; L331-N364 HydrophobicContact CD1-CB 4.43Å; L331-N364 PolarHBondContact N-OD1 3.31Å
332P97.9Very high97Very high44 Ų4441.5 Ų41.529%0.28625%0.246SC..  trans-53.7144.5169.9-24.133.9000111.2F319 G320 C334 I335 R336F319-P332 HydrophobicContact CB-CG 4.18Å; F319-P332 WeakPolarHBondContact O-CG 3.47Å; G320-P332 VanDerWaalsContact O-CD 3.25Å; G320-P332 WeakPolarHBondContact O-CD 3.2Å; P332-C334 PolarHBondContact O-N 3.2Å; P332-I335 PolarHBondContact O-N 2.93Å; P332-I335 VanDerWaalsContact O-O 3.09Å; P332-R336 PolarHBondContact O-NH1 2.98Å
333S97Very high96.9Very high90 Ų9035.8 Ų35.863%0.62922%0.221SC*.THydrogen-bonded Turntrans-59.9-17.3-174.553.70000114.3T294 I335T294-S333 WeakPolarHBondContact CB-O 3.28Å; T294-S333 WeakPolarHBondContact CG2-O 3.37Å; T294-S333 PolarHBondContact OG1-O 3Å; S333-I335 PolarHBondContact O-N 3.19Å
334C97.9Very high96.8Very high12 Ų1231.7 Ų31.78%0.08120%0.201CC..THydrogen-bonded Turntrans-71.9-12.5176.4620000113.8V288 G293 T294 V295 P332V288-C334 HydrophobicContact CG1-CB 4.34Å; G293-C334 WeakPolarHBondContact O-CA 3.3Å; T294-C334 CarbonylContact C-O 2.87Å; T294-C334 WeakPolarHBondContact CA-O 3.48Å; V295-C334 PolarHBondContact N-O 3.29Å; P332-C334 PolarHBondContact O-N 3.2Å
335I98.5Very high96.8Very high0 Ų032 Ų320%020%0.202CC..EExtended strand (participates in β ladder)trans-141.5135.2-179-163.1162.9000113.5V295 I297 L315 F319 L331 P332 S333V295-I335 VanDerWaalsContact O-CA 3.31Å; V295-I335 WeakPolarHBondContact O-CA 3.49Å; I297-I335 HydrophobicContact CD1-CD1 4.35Å; I297-I335 HydrophobicContact CG1-CD1 3.98Å; I297-I335 HydrophobicContact CG1-CG1 4.1Å; L315-I335 HydrophobicContact CD1-CD1 4.08Å; L315-I335 HydrophobicContact CD1-CG1 4.29Å; L315-I335 HydrophobicContact CD2-CD1 3.71Å; L315-I335 HydrophobicContact CG-CD1 4.4Å; F319-I335 HydrophobicContact CB-CG2 4.34Å; F319-I335 HydrophobicContact CD1-CG2 4.33Å; F319-I335 HydrophobicContact CD2-CD1 3.95Å; F319-I335 HydrophobicContact CD2-CG2 4.41Å; F319-I335 HydrophobicContact CE1-CD1 4.29Å; F319-I335 HydrophobicContact CE2-CD1 3.48Å; F319-I335 VanDerWaalsContact CE2-CD1 3.48Å; F319-I335 HydrophobicContact CG-CG2 4.12Å; F319-I335 HydrophobicContact CZ-CD1 3.66Å; L331-I335 HydrophobicContact CB-CG2 4.2Å; L331-I335 HydrophobicContact CD1-CG2 4.4Å; P332-I335 PolarHBondContact O-N 2.93Å; P332-I335 VanDerWaalsContact O-O 3.09Å; S333-I335 PolarHBondContact O-N 3.19Å
336R98.4Very high96.7Very high39 Ų3932.5 Ų32.515%0.14719%0.194CC..EExtended strand (participates in β ladder)trans-142175.1177.7-69.3-67.4-179.1-9312.3110T294 V295 V296 I297 L331 P332 E363 N364T294-R336 HydrophobicContact CG2-CB 3.95Å; T294-R336 HydrophobicContact CG2-CG 3.67Å; V295-R336 PolarHBondContact O-N 3.47Å; V296-R336 CarbonylContact C-O 3.59Å; V296-R336 WeakPolarHBondContact CA-O 3.47Å; V296-R336 HydrophobicContact CG1-CB 4.47Å; V296-R336 HydrophobicContact CG2-CB 4.44Å; I297-R336 PolarHBondContact N-O 3.1Å; L331-R336 PolarHBondContact O-NH1 2.65Å; L331-R336 PolarHBondContact O-NH2 3.38Å; P332-R336 PolarHBondContact O-NH1 2.98Å; R336-E363 IonicContact NH2-OE1 3.04Å; R336-E363 PolarHBondContact NH2-OE1 2.88Å; R336-E363 VanDerWaalsContact NH2-OE1 3.17Å; R336-N364 WeakPolarHBondContact CD-O 3.36Å
337V98.6Very high96.6Very high0 Ų030 Ų300%019%0.186CC..EExtended strand (participates in β ladder)trans-127.8139.9179.4-170.10000110.5I297 P299 M308 V311 L312 L315 N364 V365 S366I297-V337 CarbonylContact O-C 3.52Å; I297-V337 VanDerWaalsContact O-CA 3.25Å; I297-V337 WeakPolarHBondContact O-CA 3.47Å; I297-V337 WeakPolarHBondContact O-CG1 3.25Å; P299-V337 HydrophobicContact CG-CG1 4.08Å; M308-V337 HydrophobicContact CE-CB 4.02Å; M308-V337 HydrophobicContact CE-CG1 3.56Å; M308-V337 HydrophobicContact SD-CG1 3.79Å; V311-V337 HydrophobicContact CG1-CG1 4.06Å; V311-V337 HydrophobicContact CG1-CG2 3.86Å; L312-V337 HydrophobicContact CD2-CG2 3.78Å; L315-V337 HydrophobicContact CD1-CG2 3.73Å; V337-N364 PolarHBondContact N-O 2.9Å; V337-V365 HydrophobicContact CB-CG1 4.37Å; V337-V365 CarbonylContact O-C 3.57Å; V337-V365 VanDerWaalsContact O-CA 3.24Å; V337-V365 WeakPolarHBondContact O-CA 3.4Å; V337-S366 PolarHBondContact O-N 2.92Å
338I98.3Very high96.6Very high13 Ų1327.5 Ų27.57%0.06716%0.16CC..EExtended strand (participates in β ladder)trans-124.7121.9169.6-174.1171.8000110.2F184 A264 V296 I297 R298 P299 S366F184-I338 HydrophobicContact CZ-CD1 4.11Å; A264-I338 HydrophobicContact CB-CG2 4.43Å; V296-I338 HydrophobicContact CG1-CB 3.71Å; V296-I338 HydrophobicContact CG1-CG2 3.49Å; V296-I338 VanDerWaalsContact CG1-CG2 3.49Å; I297-I338 PolarHBondContact O-N 3.34Å; R298-I338 WeakPolarHBondContact CA-O 3.3Å; R298-I338 HydrophobicContact CB-CG2 3.69Å; R298-I338 HydrophobicContact CG-CG2 3.94Å; P299-I338 WeakPolarHBondContact CD-O 3.49Å; I338-S366 VanDerWaalsContact CA-O 3.31Å; I338-S366 WeakPolarHBondContact CA-O 3.45Å; I338-S366 WeakPolarHBondContact CB-OG 3.4Å; I338-S366 WeakPolarHBondContact CG1-OG 3.15Å
339Q96.8Very high96.5Very high0 Ų028.1 Ų28.10%017%0.167CC..EExtended strand (participates in β ladder)trans-87.7122.6171.6178.666.141.900109.5P304 M308 D341 V343 S366 F367 G368P304-Q339 HydrophobicContact CB-CG 3.92Å; P304-Q339 HydrophobicContact CG-CG 4.03Å; M308-Q339 HydrophobicContact CE-CB 4.43Å; M308-Q339 HydrophobicContact CG-CB 4.34Å; M308-Q339 HydrophobicContact SD-CB 3.77Å; Q339-D341 WeakPolarHBondContact CG-O 3.41Å; Q339-D341 PolarHBondContact NE2-O 2.81Å; Q339-V343 HydrophobicContact CB-CG2 4.27Å; Q339-V343 HydrophobicContact CG-CG2 3.8Å; Q339-V343 WeakPolarHBondContact O-CG2 3.41Å; Q339-S366 PolarHBondContact N-O 2.63Å; Q339-S366 VanDerWaalsContact N-O 3.16Å; Q339-F367 HydrophobicContact CB-CD1 4.08Å; Q339-F367 HydrophobicContact CB-CE1 4.47Å; Q339-F367 CarbonylContact O-C 3.54Å; Q339-F367 WeakPolarHBondContact O-CA 3.37Å; Q339-G368 PolarHBondContact O-N 3.25Å
340G89.2Confident96.5Very high8 Ų829.2 Ų29.28%0.08218%0.178CC..  trans-99.1-44.5177.400000114.1P299P299-G340 PolarHBondContact O-N 3.01Å
341D89.8Confident96.5Very high78 Ų7829.3 Ų29.342%0.41718%0.178SC..THydrogen-bonded Turntrans-80.3149.5-177.1-172.249.3000112.7D300 Q339 V343D300-D341 VanDerWaalsContact O-CB 3.24Å; D300-D341 WeakPolarHBondContact O-CB 3.4Å; D300-D341 PolarHBondContact OD1-N 2.7Å; Q339-D341 WeakPolarHBondContact CG-O 3.41Å; Q339-D341 PolarHBondContact NE2-O 2.81Å; D341-V343 PolarHBondContact O-N 3.26Å; D341-V343 VanDerWaalsContact O-N 3.09Å
342G90.5Very high96.5Very high41 Ų4129.3 Ų29.342%0.42318%0.178SC..THydrogen-bonded Turntrans69.72.9173.300000116.3S344 S347G342-S344 PolarHBondContact O-N 3.1Å; G342-S347 WeakPolarHBondContact O-CB 3.03Å; G342-S347 PolarHBondContact O-OG 3.47Å
343V96.1Very high96.6Very high4 Ų430.7 Ų30.72%0.02418%0.183CC..  trans-78.5121-178.6-178.50000111.4L181 Q339 D341 L348 F367 G368 S369 A372L181-V343 HydrophobicContact CD1-CG1 4.21Å; Q339-V343 HydrophobicContact CB-CG2 4.27Å; Q339-V343 HydrophobicContact CG-CG2 3.8Å; Q339-V343 WeakPolarHBondContact O-CG2 3.41Å; D341-V343 PolarHBondContact O-N 3.26Å; D341-V343 VanDerWaalsContact O-N 3.09Å; V343-L348 HydrophobicContact CG1-CD2 3.89Å; V343-L348 HydrophobicContact CG1-CG 4.14Å; V343-F367 HydrophobicContact CG1-CB 3.9Å; V343-F367 HydrophobicContact CG1-CD1 4.49Å; V343-F367 HydrophobicContact CG1-CG 4.45Å; V343-F367 HydrophobicContact CG2-CB 4.24Å; V343-F367 HydrophobicContact CG2-CD1 4.09Å; V343-G368 VanDerWaalsContact CB-O 3.25Å; V343-G368 WeakPolarHBondContact CB-O 3.31Å; V343-G368 WeakPolarHBondContact CG2-O 3.44Å; V343-S369 PolarHBondContact O-OG 3.37Å; V343-A372 WeakPolarHBondContact O-CB 3.36Å
344S96.7Very high96.6Very high12 Ų1227.1 Ų27.18%0.08416%0.158CC..  trans-148.3173.9178.6660000109.8G342 E346 S347 L348G342-S344 PolarHBondContact O-N 3.1Å; S344-E346 PolarHBondContact O-N 3.18Å; S344-E346 PolarHBondContact OG-OE2 3.17Å; S344-S347 PolarHBondContact N-OG 3.34Å; S344-S347 PolarHBondContact O-N 2.74Å; S344-S347 PolarHBondContact O-OG 3.48Å; S344-S347 PolarHBondContact OG-N 2.97Å; S344-S347 PolarHBondContact OG-OG 3.08Å; S344-L348 WeakPolarHBondContact O-CG 3.34Å; S344-L348 PolarHBondContact O-N 2.93Å; S344-L348 VanDerWaalsContact O-N 3.12Å
345L96.5Very high96.7Very high19 Ų1926.6 Ų26.610%0.09916%0.155CC..Hα-helixtrans-63.9-34.8-180175.759.8000110.8R45 F46 N156 A159 M160 I163R45-L345 VanDerWaalsContact CZ-CD2 3.44Å; F46-L345 HydrophobicContact CE1-CD2 3.34Å; F46-L345 HydrophobicContact CZ-CD2 3.46Å; F46-L345 VanDerWaalsContact CZ-CD2 3.46Å; N156-L345 WeakPolarHBondContact OD1-CD2 3.49Å; A159-L345 HydrophobicContact CB-CD1 3.94Å; A159-L345 HydrophobicContact CB-CD2 4.22Å; M160-L345 HydrophobicContact CE-CB 4.06Å; M160-L345 HydrophobicContact CG-CB 4.21Å; M160-L345 HydrophobicContact CG-CD1 3.82Å; I163-L345 HydrophobicContact CD1-CD1 3.56Å
346E96.2Very high96.7Very high111 Ų11129.4 Ų29.452%0.51917%0.167SC..Hα-helixtrans-72.2-33.5178.2-63.582.2178.900113.1R45 S344 P350R45-E346 IonicContact CZ-OE1 2.67Å; R45-E346 IonicContact NH1-OE1 2.68Å; R45-E346 PolarHBondContact NH1-OE1 3.2Å; R45-E346 IonicContact NH2-OE1 3.74Å; R45-E346 PolarHBondContact NH2-OE1 3.44Å; R45-E346 IonicContact NH2-OE2 3.23Å; S344-E346 PolarHBondContact O-N 3.18Å; S344-E346 PolarHBondContact OG-OE2 3.17Å; E346-P350 VanDerWaalsContact O-CD 3.3Å; E346-P350 WeakPolarHBondContact O-CD 3.49Å
347S97.1Very high96.7Very high25 Ų2532.7 Ų32.718%0.17519%0.191CC..Hα-helixtrans-89.7-21.2-175.555.90000113.8G342 S344 D349 P350 I351G342-S347 WeakPolarHBondContact O-CB 3.03Å; G342-S347 PolarHBondContact O-OG 3.47Å; S344-S347 PolarHBondContact N-OG 3.34Å; S344-S347 PolarHBondContact O-N 2.74Å; S344-S347 PolarHBondContact O-OG 3.48Å; S344-S347 PolarHBondContact OG-N 2.97Å; S344-S347 PolarHBondContact OG-OG 3.08Å; S347-D349 PolarHBondContact O-N 3.33Å; S347-P350 WeakPolarHBondContact O-CD 3.43Å; S347-I351 VanDerWaalsContact O-CD1 3.28Å; S347-I351 WeakPolarHBondContact O-CD1 3.49Å; S347-I351 WeakPolarHBondContact O-CG1 3.3Å; S347-I351 PolarHBondContact O-N 2.86Å; S347-I351 VanDerWaalsContact O-N 3.08Å
348L97.5Very high96.7Very high0 Ų034.1 Ų34.10%020%0.203CC..Hα-helixtrans-59.4-47.3-177.2-83.8170.8000114.1M160 I163 V343 S344 I351 L352 F367M160-L348 HydrophobicContact CB-CD1 3.6Å; M160-L348 HydrophobicContact CE-CD1 4.11Å; M160-L348 HydrophobicContact CG-CD1 3.61Å; M160-L348 HydrophobicContact SD-CD1 4.25Å; I163-L348 HydrophobicContact CG2-CB 4.17Å; V343-L348 HydrophobicContact CG1-CD2 3.89Å; V343-L348 HydrophobicContact CG1-CG 4.14Å; S344-L348 WeakPolarHBondContact O-CG 3.34Å; S344-L348 PolarHBondContact O-N 2.93Å; S344-L348 VanDerWaalsContact O-N 3.12Å; L348-I351 PolarHBondContact O-N 2.87Å; L348-L352 WeakPolarHBondContact O-CB 3.47Å; L348-L352 WeakPolarHBondContact O-CG 3.28Å; L348-L352 PolarHBondContact O-N 2.86Å; L348-F367 HydrophobicContact CD2-CB 4.27Å; L348-F367 HydrophobicContact CD2-CD1 3.89Å; L348-F367 HydrophobicContact CD2-CD2 3.7Å; L348-F367 HydrophobicContact CD2-CE1 4.17Å; L348-F367 HydrophobicContact CD2-CE2 3.99Å; L348-F367 HydrophobicContact CD2-CG 3.66Å; L348-F367 HydrophobicContact CD2-CZ 4.21Å
349D98.2Very high96.7Very high59 Ų5934.6 Ų34.632%0.31621%0.211SC..Hα-helixtrans-65.2-48.5-178.5-17898.1000111.7I163 K166 Y167 S347 I351 L352 N353I163-D349 HydrophobicContact CG2-CB 3.98Å; K166-D349 IonicContact NZ-OD1 2.88Å; K166-D349 PolarHBondContact NZ-OD1 3.31Å; K166-D349 VanDerWaalsContact NZ-OD1 3.13Å; Y167-D349 WeakPolarHBondContact CE2-OD1 3.42Å; Y167-D349 PolarHBondContact OH-OD1 2.94Å; Y167-D349 VanDerWaalsContact OH-OD1 3.13Å; S347-D349 PolarHBondContact O-N 3.33Å; D349-I351 VanDerWaalsContact C-N 3.33Å; D349-I351 PolarHBondContact O-N 3.47Å; D349-L352 PolarHBondContact O-N 3.26Å; D349-N353 WeakPolarHBondContact O-CB 3.27Å; D349-N353 PolarHBondContact O-N 2.97Å
350P98.5Very high96.8Very high57 Ų5734.7 Ų34.737%0.3721%0.211SC..Hα-helixtrans-54.5-43171.7-28.334.3000114.3V305 E346 S347 S354V305-P350 HydrophobicContact CG2-CB 3.9Å; E346-P350 VanDerWaalsContact O-CD 3.3Å; E346-P350 WeakPolarHBondContact O-CD 3.49Å; S347-P350 WeakPolarHBondContact O-CD 3.43Å; P350-S354 PolarHBondContact O-N 3.4Å
351I98.5Very high97.3Very high1 Ų134.3 Ų34.31%0.00521%0.207CC..Hα-helixtrans-65.3-52.1-179.9-64.6164000110.3P304 V305 M308 S347 L348 D349 N353 S354 I355 F367P304-I351 HydrophobicContact CB-CD1 3.5Å; P304-I351 VanDerWaalsContact CB-CD1 3.5Å; P304-I351 HydrophobicContact CB-CG1 3.72Å; P304-I351 HydrophobicContact CB-CG2 4.48Å; P304-I351 HydrophobicContact CG-CD1 4.17Å; V305-I351 HydrophobicContact CG2-CG1 3.96Å; M308-I351 HydrophobicContact CB-CG2 4.39Å; M308-I351 HydrophobicContact CG-CG2 4.05Å; S347-I351 VanDerWaalsContact O-CD1 3.28Å; S347-I351 WeakPolarHBondContact O-CD1 3.49Å; S347-I351 WeakPolarHBondContact O-CG1 3.3Å; S347-I351 PolarHBondContact O-N 2.86Å; S347-I351 VanDerWaalsContact O-N 3.08Å; L348-I351 PolarHBondContact O-N 2.87Å; D349-I351 VanDerWaalsContact C-N 3.33Å; D349-I351 PolarHBondContact O-N 3.47Å; I351-N353 VanDerWaalsContact C-N 3.29Å; I351-N353 PolarHBondContact O-N 3.07Å; I351-S354 WeakPolarHBondContact O-CB 3.29Å; I351-S354 PolarHBondContact O-N 3.37Å; I351-S354 VanDerWaalsContact O-N 3.14Å; I351-S354 PolarHBondContact O-OG 3.39Å; I351-I355 HydrophobicContact CG2-CD1 4.03Å; I351-I355 WeakPolarHBondContact O-CG1 3.42Å; I351-I355 PolarHBondContact O-N 2.81Å; I351-I355 VanDerWaalsContact O-N 3.13Å; I351-F367 HydrophobicContact CG2-CE1 3.8Å; I351-F367 HydrophobicContact CG2-CZ 4.33Å
352L98.7Very high97.7Very high3 Ų330.9 Ų30.92%0.01619%0.19CC..Hα-helixtrans-64-36.1180-76.8163.8000112.1I163 I164 Y167 L348 D349 S354 I355 K356 A362 V365 F367I163-L352 HydrophobicContact CG2-CD1 4.01Å; I164-L352 HydrophobicContact CG1-CD1 4.22Å; Y167-L352 HydrophobicContact CD1-CB 3.86Å; Y167-L352 HydrophobicContact CD2-CB 3.46Å; Y167-L352 VanDerWaalsContact CD2-CB 3.46Å; Y167-L352 HydrophobicContact CD2-CD1 3.7Å; Y167-L352 HydrophobicContact CD2-CG 4.14Å; Y167-L352 HydrophobicContact CE1-CB 4.1Å; Y167-L352 HydrophobicContact CE2-CB 3.73Å; Y167-L352 HydrophobicContact CE2-CD1 4.43Å; Y167-L352 HydrophobicContact CG-CB 3.54Å; Y167-L352 HydrophobicContact CG-CD1 4.17Å; Y167-L352 HydrophobicContact CG-CD2 4.44Å; Y167-L352 HydrophobicContact CG-CG 4.27Å; L348-L352 WeakPolarHBondContact O-CB 3.47Å; L348-L352 WeakPolarHBondContact O-CG 3.28Å; L348-L352 PolarHBondContact O-N 2.86Å; D349-L352 PolarHBondContact O-N 3.26Å; L352-S354 VanDerWaalsContact C-N 3.33Å; L352-S354 PolarHBondContact O-N 3.28Å; L352-I355 PolarHBondContact O-N 3.07Å; L352-K356 WeakPolarHBondContact O-CB 3.31Å; L352-K356 PolarHBondContact O-N 3.24Å; L352-A362 HydrophobicContact CD2-CB 3.97Å; L352-V365 HydrophobicContact CD2-CG2 4.25Å; L352-F367 HydrophobicContact CD1-CE2 4.22Å; L352-F367 HydrophobicContact CD1-CZ 4.38Å; L352-F367 HydrophobicContact CD2-CE2 3.85Å; L352-F367 HydrophobicContact CD2-CZ 3.69Å; L352-F367 HydrophobicContact CG-CE2 4.09Å; L352-F367 HydrophobicContact CG-CZ 3.8Å
353N98.8Very high98Very high72 Ų7230 Ų3039%0.38518%0.175SC..Hα-helixtrans-62.9-39.3174.1-167.458.9000112.3Y167 D349 I351 K356 T357Y167-N353 HydrophobicContact CE1-CB 4.23Å; Y167-N353 WeakPolarHBondContact OH-CB 3.45Å; D349-N353 WeakPolarHBondContact O-CB 3.27Å; D349-N353 PolarHBondContact O-N 2.97Å; I351-N353 VanDerWaalsContact C-N 3.29Å; I351-N353 PolarHBondContact O-N 3.07Å; N353-K356 PolarHBondContact O-N 3.07Å; N353-T357 VanDerWaalsContact O-CB 3.3Å; N353-T357 WeakPolarHBondContact O-CB 3.13Å; N353-T357 PolarHBondContact O-N 2.9Å; N353-T357 PolarHBondContact O-OG1 3.27Å
354S98.7Very high98.1Very high16 Ų1629.8 Ų29.811%0.11217%0.174CC..Hα-helixtrans-64.4-42.1176.376.60000112.1V305 P309 P350 I351 L352 T357 A358V305-S354 WeakPolarHBondContact O-CB 3.39Å; V305-S354 PolarHBondContact O-OG 3.47Å; P309-S354 WeakPolarHBondContact CG-OG 3.29Å; P350-S354 PolarHBondContact O-N 3.4Å; I351-S354 WeakPolarHBondContact O-CB 3.29Å; I351-S354 PolarHBondContact O-N 3.37Å; I351-S354 VanDerWaalsContact O-N 3.14Å; I351-S354 PolarHBondContact O-OG 3.39Å; L352-S354 VanDerWaalsContact C-N 3.33Å; L352-S354 PolarHBondContact O-N 3.28Å; S354-T357 PolarHBondContact O-N 2.79Å; S354-A358 WeakPolarHBondContact O-CB 3.19Å; S354-A358 PolarHBondContact O-N 3.12Å
355I98.8Very high98.2Very high1 Ų129.4 Ų29.41%0.00517%0.171CC..Hα-helixtrans-62.1-49.1176.6-67166.5000110M308 L312 I351 L352 T357 A358 G359 W360 V365M308-I355 HydrophobicContact CB-CD1 3.98Å; M308-I355 HydrophobicContact CB-CG1 3.98Å; M308-I355 HydrophobicContact CE-CD1 4.26Å; L312-I355 HydrophobicContact CD1-CG1 4.13Å; L312-I355 HydrophobicContact CD1-CG2 3.78Å; I351-I355 HydrophobicContact CG2-CD1 4.03Å; I351-I355 WeakPolarHBondContact O-CG1 3.42Å; I351-I355 PolarHBondContact O-N 2.81Å; I351-I355 VanDerWaalsContact O-N 3.13Å; L352-I355 PolarHBondContact O-N 3.07Å; I355-T357 PolarHBondContact O-N 2.8Å; I355-A358 PolarHBondContact O-N 2.92Å; I355-G359 PolarHBondContact O-N 2.88Å; I355-W360 HydrophobicContact CG2-CB 3.68Å; I355-W360 PolarHBondContact O-N 2.78Å; I355-V365 HydrophobicContact CD1-CB 4.48Å; I355-V365 HydrophobicContact CD1-CG1 4Å; I355-V365 HydrophobicContact CD1-CG2 3.94Å
356K98.8Very high98.2Very high58 Ų5829.6 Ų29.625%0.25217%0.174SC..Hα-helixtrans-57.1-48.6175.3178.2-173.5176.5-175.30111.4Y167 E170 T171 Y328 L352 N353 A358 G359Y167-K356 HydrophobicContact CD1-CB 4.26Å; Y167-K356 HydrophobicContact CD1-CD 4.12Å; Y167-K356 HydrophobicContact CE1-CB 4.29Å; Y167-K356 HydrophobicContact CE1-CD 3.93Å; E170-K356 IonicContact OE1-NZ 2.75Å; E170-K356 WeakPolarHBondContact OE2-CD 3.4Å; E170-K356 VanDerWaalsContact OE2-CE 3.29Å; E170-K356 WeakPolarHBondContact OE2-CE 3.43Å; E170-K356 IonicContact OE2-NZ 3.53Å; E170-K356 PolarHBondContact OE2-NZ 3.01Å; T171-K356 HydrophobicContact CG2-CB 4.15Å; T171-K356 HydrophobicContact CG2-CD 4.23Å; T171-K356 HydrophobicContact CG2-CG 3.8Å; Y328-K356 HydrophobicContact CE1-CB 4.45Å; Y328-K356 HydrophobicContact CE1-CG 3.68Å; Y328-K356 WeakPolarHBondContact CE1-O 3.24Å; Y328-K356 VanDerWaalsContact OH-CE 3.28Å; Y328-K356 WeakPolarHBondContact OH-CE 3.4Å; L352-K356 WeakPolarHBondContact O-CB 3.31Å; L352-K356 PolarHBondContact O-N 3.24Å; N353-K356 PolarHBondContact O-N 3.07Å; K356-A358 VanDerWaalsContact C-N 3.26Å; K356-A358 PolarHBondContact O-N 3.44Å; K356-G359 WeakPolarHBondContact O-CA 3.36Å; K356-G359 PolarHBondContact O-N 3.16Å
357T98.7Very high98.3Very high108 Ų10824.4 Ų24.466%0.66315%0.15SC*.Hα-helixtrans-63.2-33.6-178.4-58.10000111.9N353 S354 I355 G359N353-T357 VanDerWaalsContact O-CB 3.3Å; N353-T357 WeakPolarHBondContact O-CB 3.13Å; N353-T357 PolarHBondContact O-N 2.9Å; N353-T357 PolarHBondContact O-OG1 3.27Å; S354-T357 PolarHBondContact O-N 2.79Å; I355-T357 PolarHBondContact O-N 2.8Å; T357-G359 PolarHBondContact O-N 2.7Å
358A98.6Very high98.3Very high30 Ų3023.2 Ų23.225%0.24814%0.141CC..THydrogen-bonded Turntrans-75.24.117300000114P309 K329 S354 I355 K356P309-A358 HydrophobicContact CB-CB 3.8Å; P309-A358 HydrophobicContact CG-CB 4.49Å; K329-A358 VanDerWaalsContact CE-O 3.27Å; K329-A358 WeakPolarHBondContact CE-O 3.41Å; K329-A358 PolarHBondContact NZ-O 2.86Å; S354-A358 WeakPolarHBondContact O-CB 3.19Å; S354-A358 PolarHBondContact O-N 3.12Å; I355-A358 PolarHBondContact O-N 2.92Å; K356-A358 VanDerWaalsContact C-N 3.26Å; K356-A358 PolarHBondContact O-N 3.44Å
359G98.6Very high98.2Very high23 Ų2323.2 Ų23.224%0.23714%0.141CC..THydrogen-bonded Turntrans77.318.2177.700000114K329 I355 K356 T357K329-G359 WeakPolarHBondContact CB-O 3.44Å; K329-G359 VanDerWaalsContact CE-O 3.29Å; K329-G359 WeakPolarHBondContact CE-O 3.33Å; K329-G359 WeakPolarHBondContact CG-O 3.37Å; K329-G359 PolarHBondContact N-O 3.47Å; I355-G359 PolarHBondContact O-N 2.88Å; K356-G359 WeakPolarHBondContact O-CA 3.36Å; K356-G359 PolarHBondContact O-N 3.16Å; T357-G359 PolarHBondContact O-N 2.7Å
360W98.8Very high98Very high2 Ų221.5 Ų21.51%0.00814%0.137CC..BIsolated β-bridgetrans-99.4146.2178.6-70.4101.1000112L312 D313 Y321 Y328 K329 L331 I355L312-W360 HydrophobicContact CB-CD2 3.71Å; L312-W360 HydrophobicContact CB-CE3 4.29Å; L312-W360 HydrophobicContact CB-CG 3.83Å; L312-W360 HydrophobicContact CB-CZ2 4.39Å; L312-W360 HydrophobicContact CD1-CB 3.82Å; L312-W360 HydrophobicContact CD1-CD2 4.4Å; L312-W360 HydrophobicContact CD1-CG 3.88Å; L312-W360 HydrophobicContact CG-CG 4.44Å; L312-W360 WeakPolarHBondContact O-CH2 3.45Å; L312-W360 WeakPolarHBondContact O-CZ2 3.26Å; D313-W360 PolarHBondContact OD1-NE1 3.28Å; Y321-W360 AromaticContact CD1-CH2 3.75Å; Y321-W360 HydrophobicContact CD1-CH2 3.75Å; Y321-W360 HydrophobicContact CD1-CZ2 4.49Å; Y321-W360 HydrophobicContact CG-CH2 4.09Å; Y321-W360 HydrophobicContact CG-CZ3 4.41Å; Y328-W360 WeakPolarHBondContact CD1-O 3.44Å; K329-W360 HydrophobicContact CB-CD2 3.77Å; K329-W360 HydrophobicContact CB-CE3 3.33Å; K329-W360 HydrophobicContact CB-CH2 3.86Å; K329-W360 HydrophobicContact CB-CZ2 4.29Å; K329-W360 HydrophobicContact CB-CZ3 3.4Å; K329-W360 VanDerWaalsContact CB-CZ3 3.4Å; K329-W360 HydrophobicContact CD-CD2 4.28Å; K329-W360 HydrophobicContact CD-CH2 3.99Å; K329-W360 HydrophobicContact CD-CZ2 3.76Å; K329-W360 HydrophobicContact CD-CZ3 4.4Å; K329-W360 VanDerWaalsContact CE-CE2 3.44Å; K329-W360 HydrophobicContact CG-CH2 4.5Å; K329-W360 HydrophobicContact CG-CZ3 4.47Å; L331-W360 HydrophobicContact CD2-CH2 4Å; L331-W360 HydrophobicContact CD2-CZ3 3.75Å; L331-W360 HydrophobicContact CG-CZ3 3.93Å; I355-W360 HydrophobicContact CG2-CB 3.68Å; I355-W360 PolarHBondContact O-N 2.78Å
361S98.6Very high97.6Very high0 Ų019.9 Ų19.90%013%0.131CC..  trans-77.5142.1174.7-176.30000111.9T171 A172 K329 E363 N364T171-S361 VanDerWaalsContact C-OG 3.31Å; T171-S361 WeakPolarHBondContact O-CB 3.41Å; T171-S361 PolarHBondContact O-OG 3.33Å; A172-S361 WeakPolarHBondContact CA-OG 3.2Å; K329-S361 WeakPolarHBondContact O-CB 3.25Å; K329-S361 PolarHBondContact O-N 2.83Å; S361-E363 PolarHBondContact O-N 3.13Å; S361-E363 WeakPolarHBondContact OG-CB 3.46Å; S361-E363 PolarHBondContact OG-N 2.9Å; S361-E363 VanDerWaalsContact OG-N 3.14Å; S361-N364 PolarHBondContact N-ND2 3.24Å; S361-N364 WeakPolarHBondContact O-CB 3.29Å; S361-N364 PolarHBondContact O-N 3Å; S361-N364 PolarHBondContact O-ND2 2.99Å
362A98.2Very high97.3Very high6 Ų620.8 Ų20.85%0.0514%0.138CC..G310 helixtrans-62.1-17.4168.400000112.7L168 T171 L352 N364 V365L168-A362 HydrophobicContact CD2-CB 4.02Å; L168-A362 HydrophobicContact CG-CB 4.42Å; T171-A362 WeakPolarHBondContact OG1-CB 3.34Å; T171-A362 PolarHBondContact OG1-N 2.98Å; L352-A362 HydrophobicContact CD2-CB 3.97Å; A362-N364 PolarHBondContact O-N 3.12Å; A362-V365 WeakPolarHBondContact O-CG2 3.32Å; A362-V365 PolarHBondContact O-N 3.11Å
363E97.3Very high97.2Very high23 Ų2320.6 Ų20.611%0.10714%0.138CC..G310 helixtrans-58.4-27.4172.7-165.7-164.9124.800112.6A172 R180 V330 R336 S361 V365A172-E363 HydrophobicContact CB-CB 3.87Å; R180-E363 PolarHBondContact NH1-O 3.48Å; V330-E363 WeakPolarHBondContact CG1-OE1 3.32Å; R336-E363 IonicContact NH2-OE1 3.04Å; R336-E363 PolarHBondContact NH2-OE1 2.88Å; R336-E363 VanDerWaalsContact NH2-OE1 3.17Å; S361-E363 PolarHBondContact O-N 3.13Å; S361-E363 WeakPolarHBondContact OG-CB 3.46Å; S361-E363 PolarHBondContact OG-N 2.9Å; S361-E363 VanDerWaalsContact OG-N 3.14Å; E363-V365 PolarHBondContact O-N 3.31Å
364N98.2Very high97.1Very high0 Ų017.2 Ų17.20%012%0.119CC..G310 helixtrans-72.3-17.8-177.6-64-55.7000113.6L312 K329 V330 L331 R336 V337 S361 A362L312-N364 HydrophobicContact CD2-CB 3.78Å; K329-N364 PolarHBondContact O-ND2 3.21Å; V330-N364 WeakPolarHBondContact CA-OD1 3.29Å; L331-N364 WeakPolarHBondContact CB-OD1 3.38Å; L331-N364 HydrophobicContact CD1-CB 4.43Å; L331-N364 PolarHBondContact N-OD1 3.31Å; R336-N364 WeakPolarHBondContact CD-O 3.36Å; V337-N364 PolarHBondContact N-O 2.9Å; S361-N364 PolarHBondContact N-ND2 3.24Å; S361-N364 WeakPolarHBondContact O-CB 3.29Å; S361-N364 PolarHBondContact O-N 3Å; S361-N364 PolarHBondContact O-ND2 2.99Å; A362-N364 PolarHBondContact O-N 3.12Å
365V98Very high96.8Very high3 Ų320.4 Ų20.42%0.01813%0.133CC..EExtended strand (participates in β ladder)trans-123.3148.8-166.5-54.70000112.7R180 M308 L312 V337 L352 I355 A362 E363 F367R180-V365 PolarHBondContact NH1-O 3.4Å; M308-V365 HydrophobicContact CE-CB 3.91Å; M308-V365 HydrophobicContact CE-CG1 3.35Å; L312-V365 HydrophobicContact CD1-CG1 4.1Å; L312-V365 HydrophobicContact CD2-CG1 4.31Å; V337-V365 HydrophobicContact CB-CG1 4.37Å; V337-V365 CarbonylContact O-C 3.57Å; V337-V365 VanDerWaalsContact O-CA 3.24Å; V337-V365 WeakPolarHBondContact O-CA 3.4Å; L352-V365 HydrophobicContact CD2-CG2 4.25Å; I355-V365 HydrophobicContact CD1-CB 4.48Å; I355-V365 HydrophobicContact CD1-CG1 4Å; I355-V365 HydrophobicContact CD1-CG2 3.94Å; A362-V365 WeakPolarHBondContact O-CG2 3.32Å; A362-V365 PolarHBondContact O-N 3.11Å; E363-V365 PolarHBondContact O-N 3.31Å; V365-F367 HydrophobicContact CG2-CE2 4.03Å; V365-F367 HydrophobicContact CG2-CZ 3.8Å
366S97.9Very high96.6Very high23 Ų2329.2 Ų29.216%0.16117%0.166CC..EExtended strand (participates in β ladder)trans-128.4172.9159.557.90000109V337 I338 Q339V337-S366 PolarHBondContact O-N 2.92Å; I338-S366 VanDerWaalsContact CA-O 3.31Å; I338-S366 WeakPolarHBondContact CA-O 3.45Å; I338-S366 WeakPolarHBondContact CB-OG 3.4Å; I338-S366 WeakPolarHBondContact CG1-OG 3.15Å; Q339-S366 PolarHBondContact N-O 2.63Å; Q339-S366 VanDerWaalsContact N-O 3.16Å
367F98.1Very high96.4Very high3 Ų327.3 Ų27.31%0.01316%0.158CC..EExtended strand (participates in β ladder)trans-130144.8-178.9-56.8-81.8000109.8I164 R180 L181 H182 Q339 V343 L348 I351 L352 V365I164-F367 HydrophobicContact CD1-CD2 4.32Å; R180-F367 PolarHBondContact O-N 2.98Å; L181-F367 CarbonylContact C-O 3.59Å; L181-F367 VanDerWaalsContact CA-O 3.26Å; L181-F367 WeakPolarHBondContact CA-O 3.42Å; L181-F367 HydrophobicContact CD1-CB 3.8Å; H182-F367 PolarHBondContact N-O 3.14Å; Q339-F367 HydrophobicContact CB-CD1 4.08Å; Q339-F367 HydrophobicContact CB-CE1 4.47Å; Q339-F367 CarbonylContact O-C 3.54Å; Q339-F367 WeakPolarHBondContact O-CA 3.37Å; V343-F367 HydrophobicContact CG1-CB 3.9Å; V343-F367 HydrophobicContact CG1-CD1 4.49Å; V343-F367 HydrophobicContact CG1-CG 4.45Å; V343-F367 HydrophobicContact CG2-CB 4.24Å; V343-F367 HydrophobicContact CG2-CD1 4.09Å; L348-F367 HydrophobicContact CD2-CB 4.27Å; L348-F367 HydrophobicContact CD2-CD1 3.89Å; L348-F367 HydrophobicContact CD2-CD2 3.7Å; L348-F367 HydrophobicContact CD2-CE1 4.17Å; L348-F367 HydrophobicContact CD2-CE2 3.99Å; L348-F367 HydrophobicContact CD2-CG 3.66Å; L348-F367 HydrophobicContact CD2-CZ 4.21Å; I351-F367 HydrophobicContact CG2-CE1 3.8Å; I351-F367 HydrophobicContact CG2-CZ 4.33Å; L352-F367 HydrophobicContact CD1-CE2 4.22Å; L352-F367 HydrophobicContact CD1-CZ 4.38Å; L352-F367 HydrophobicContact CD2-CE2 3.85Å; L352-F367 HydrophobicContact CD2-CZ 3.69Å; L352-F367 HydrophobicContact CG-CE2 4.09Å; L352-F367 HydrophobicContact CG-CZ 3.8Å; V365-F367 HydrophobicContact CG2-CE2 4.03Å; V365-F367 HydrophobicContact CG2-CZ 3.8Å
368G96.6Very high96.3Very high0 Ų026.3 Ų26.30%015%0.149CC..EExtended strand (participates in β ladder)trans-111.6139.7163.600000109H182 Q339 V343H182-G368 CarbonylContact O-C 3.49Å; H182-G368 WeakPolarHBondContact O-CA 3.48Å; Q339-G368 PolarHBondContact O-N 3.25Å; V343-G368 VanDerWaalsContact CB-O 3.25Å; V343-G368 WeakPolarHBondContact CB-O 3.31Å; V343-G368 WeakPolarHBondContact CG2-O 3.44Å
369S96.6Very high96.1Very high0 Ų030.7 Ų30.70%016%0.159CC..EExtended strand (participates in β ladder)trans-129.8127.9176.7-173.40000110.9H182 F184 V343 L373H182-S369 PolarHBondContact O-N 3.32Å; F184-S369 PolarHBondContact N-O 3.45Å; V343-S369 PolarHBondContact O-OG 3.37Å; S369-L373 PolarHBondContact OG-N 3.37Å
370G93.2Very high95.9Very high22 Ų2233.9 Ų33.923%0.22717%0.171CC..SBendtrans-90-122.1-178.500000112.9A372 L373G370-A372 PolarHBondContact O-N 3.11Å; G370-A372 VanDerWaalsContact O-N 3.1Å; G370-L373 WeakPolarHBondContact O-CB 3.33Å; G370-L373 PolarHBondContact O-N 3.12Å
371G89.2Confident95.8Very high24 Ų2434.8 Ų34.825%0.24718%0.176CC..Hα-helixtrans-60.2-22.1-178.700000114.5L373 Q375 R376G371-L373 VanDerWaalsContact C-N 3.29Å; G371-L373 PolarHBondContact O-N 3.49Å; G371-Q375 WeakPolarHBondContact O-CA 3.27Å; G371-Q375 VanDerWaalsContact O-CB 3.29Å; G371-Q375 WeakPolarHBondContact O-CB 3.41Å; G371-Q375 PolarHBondContact O-N 3.07Å; G371-R376 PolarHBondContact O-N 3.38Å; G371-R376 VanDerWaalsContact O-N 3.11Å
372A92.8Very high95.7Very high19 Ų1934.9 Ų34.916%0.15718%0.177CC..Hα-helixtrans-66.4-30.4173.700000113.1V343 G370V343-A372 WeakPolarHBondContact O-CB 3.36Å; G370-A372 PolarHBondContact O-N 3.11Å; G370-A372 VanDerWaalsContact O-N 3.1Å
373L96.3Very high95.6Very high0 Ų039.7 Ų39.70%020%0.196CC..Hα-helixtrans-73.9-46.2178.4-175.862000112M160 L181 D183 H202 S369 G370 G371M160-L373 HydrophobicContact SD-CD1 3.85Å; L181-L373 HydrophobicContact CD2-CD1 4.33Å; D183-L373 HydrophobicContact CB-CD2 3.79Å; H202-L373 HydrophobicContact CB-CD2 4.37Å; S369-L373 PolarHBondContact OG-N 3.37Å; G370-L373 WeakPolarHBondContact O-CB 3.33Å; G370-L373 PolarHBondContact O-N 3.12Å; G371-L373 VanDerWaalsContact C-N 3.29Å; G371-L373 PolarHBondContact O-N 3.49Å
374L96.5Very high95.6Very high0 Ų038.9 Ų38.90%019%0.193CC..Hα-helixtrans-105.6-29.2-168.9-56.8-169.7000114.2Y149 V153 V189 G198Y149-L374 WeakPolarHBondContact CE2-O 3.42Å; Y149-L374 PolarHBondContact OH-O 2.98Å; V153-L374 HydrophobicContact CG1-CD2 3.67Å; V153-L374 HydrophobicContact CG2-CD2 4.47Å; V189-L374 HydrophobicContact CG1-CB 3.41Å; V189-L374 VanDerWaalsContact CG1-CB 3.41Å; V189-L374 HydrophobicContact CG1-CD1 4.13Å; V189-L374 HydrophobicContact CG1-CG 4.42Å; G198-L374 VanDerWaalsContact C-CD2 3.47Å
375Q94Very high95.5Very high84 Ų8439.5 Ų39.539%0.39320%0.199SC..THydrogen-bonded Turntrans-110.9-26-168.9-168.366.620.700114.2G188 V189 G371 L377G188-Q375 WeakPolarHBondContact O-CB 3.4Å; V189-Q375 HydrophobicContact CG1-CB 4.26Å; G371-Q375 WeakPolarHBondContact O-CA 3.27Å; G371-Q375 VanDerWaalsContact O-CB 3.29Å; G371-Q375 WeakPolarHBondContact O-CB 3.41Å; G371-Q375 PolarHBondContact O-N 3.07Å; Q375-L377 PolarHBondContact O-N 3.44Å
376R93.2Very high95.4Very high186 Ų18640 Ų4070%0.70220%0.201SC*.SBendtrans-78.644179.3-67.3-171.9-179177.20.1112.9G371G371-R376 PolarHBondContact O-N 3.38Å; G371-R376 VanDerWaalsContact O-N 3.11Å
377L94.6Very high95.4Very high17 Ų1740.6 Ų40.69%0.08920%0.2CC..  trans-138.8149.3-179-58.7165.3000108.7W148 A152 V153 N156 Q375 T381W148-L377 HydrophobicContact CZ3-CB 4.45Å; A152-L377 HydrophobicContact CB-CB 4.46Å; A152-L377 HydrophobicContact CB-CD1 4.29Å; V153-L377 HydrophobicContact CB-CD1 4.3Å; V153-L377 HydrophobicContact CG2-CD1 3.59Å; N156-L377 HydrophobicContact CB-CD1 4.38Å; N156-L377 HydrophobicContact CB-CD2 4.27Å; Q375-L377 PolarHBondContact O-N 3.44Å; L377-T381 HydrophobicContact CD2-CG2 3.85Å
378N96Very high95.4Very high87 Ų8741.8 Ų41.847%0.46521%0.209SC..  trans-143.7174.4173.162.447.5000110.2W148 D380 T381W148-N378 VanDerWaalsContact CH2-CA 3.43Å; W148-N378 WeakPolarHBondContact CZ3-O 3.48Å; N378-D380 PolarHBondContact O-N 2.69Å; N378-D380 VanDerWaalsContact O-N 3.08Å; N378-D380 WeakPolarHBondContact OD1-CA 3.29Å; N378-D380 WeakPolarHBondContact OD1-CB 3.29Å; N378-D380 PolarHBondContact OD1-N 3.23Å; N378-T381 PolarHBondContact N-OG1 2.66Å; N378-T381 WeakPolarHBondContact O-CB 3.41Å; N378-T381 PolarHBondContact O-N 3.34Å; N378-T381 PolarHBondContact O-OG1 3.27Å; N378-T381 VanDerWaalsContact O-OG1 3.06Å; N378-T381 PolarHBondContact OD1-N 2.89Å; N378-T381 VanDerWaalsContact OD1-N 3.08Å
379R95.8Very high95.4Very high123 Ų12341.8 Ų41.846%0.46421%0.209SC..G310 helixtrans-54.8-31.2-179.9-169.9-168.167.6-169.3-5.1112.8W148 K383 C384W148-R379 HydrophobicContact CB-CG 4.25Å; W148-R379 HydrophobicContact CD2-CB 3.94Å; W148-R379 HydrophobicContact CD2-CG 4.36Å; W148-R379 HydrophobicContact CE3-CB 4.46Å; W148-R379 HydrophobicContact CG-CB 4.03Å; W148-R379 HydrophobicContact CG-CG 3.91Å; R379-K383 PolarHBondContact O-N 3.04Å; R379-C384 HydrophobicContact CG-CB 3.99Å; R379-C384 PolarHBondContact O-N 2.91Å; R379-C384 VanDerWaalsContact O-N 3.13Å
380D95Very high95.5Very high90 Ų9042.2 Ų42.248%0.48121%0.211SC..G310 helixtrans-81.9-11.8-178.8-62.3-37.3000113.4N378 Q382 K383N378-D380 PolarHBondContact O-N 2.69Å; N378-D380 VanDerWaalsContact O-N 3.08Å; N378-D380 WeakPolarHBondContact OD1-CA 3.29Å; N378-D380 WeakPolarHBondContact OD1-CB 3.29Å; N378-D380 PolarHBondContact OD1-N 3.23Å; D380-Q382 PolarHBondContact O-N 2.91Å; D380-Q382 VanDerWaalsContact O-N 3.13Å; D380-K383 WeakPolarHBondContact O-CG 3.43Å; D380-K383 PolarHBondContact O-N 3.43Å
381T96Very high95.7Very high20 Ų2041.4 Ų41.412%0.12320%0.202CC..G310 helixtrans-52.2-35.6170-59.10000111.5G44 R45 F46 L377 N378G44-T381 WeakPolarHBondContact CA-O 3.4Å; R45-T381 HydrophobicContact CB-CG2 4.05Å; R45-T381 WeakPolarHBondContact CB-O 3.49Å; R45-T381 PolarHBondContact N-O 3.04Å; F46-T381 HydrophobicContact CE2-CG2 4.15Å; L377-T381 HydrophobicContact CD2-CG2 3.85Å; N378-T381 PolarHBondContact N-OG1 2.66Å; N378-T381 WeakPolarHBondContact O-CB 3.41Å; N378-T381 PolarHBondContact O-N 3.34Å; N378-T381 PolarHBondContact O-OG1 3.27Å; N378-T381 VanDerWaalsContact O-OG1 3.06Å; N378-T381 PolarHBondContact OD1-N 2.89Å; N378-T381 VanDerWaalsContact OD1-N 3.08Å
382Q96Very high96.1Very high2 Ų241.6 Ų41.61%0.00920%0.197CC..G310 helixtrans-122.823.5172-70.6-72.348.100112.9S41 G43 F46 N48 S49 M151 D380 C384S41-Q382 WeakPolarHBondContact CA-O 3.47Å; S41-Q382 VanDerWaalsContact CB-O 3.27Å; S41-Q382 WeakPolarHBondContact CB-O 3.47Å; S41-Q382 PolarHBondContact OG-O 3Å; G43-Q382 CarbonylContact O-C 3.55Å; G43-Q382 VanDerWaalsContact O-CA 3.31Å; G43-Q382 WeakPolarHBondContact O-CA 3.43Å; F46-Q382 HydrophobicContact CD2-CG 4.48Å; F46-Q382 PolarHBondContact O-OE1 3.43Å; N48-Q382 PolarHBondContact O-NE2 2.79Å; S49-Q382 PolarHBondContact OG-NE2 2.87Å; M151-Q382 HydrophobicContact CE-CB 4.24Å; D380-Q382 PolarHBondContact O-N 2.91Å; D380-Q382 VanDerWaalsContact O-N 3.13Å; Q382-C384 PolarHBondContact O-N 3.17Å
383K95.9Very high96.4Very high107 Ų10741.4 Ų41.447%0.46519%0.194SC..THydrogen-bonded Turntrans40.641.8177.1-58.3-177.2178.4179.20113.2R42 G43 R379 D380R42-K383 HydrophobicContact CB-CB 4.24Å; R42-K383 PolarHBondContact N-O 3.27Å; R42-K383 PolarHBondContact NE-O 3.04Å; G43-K383 WeakPolarHBondContact O-CB 3.41Å; G43-K383 PolarHBondContact O-N 2.92Å; R379-K383 PolarHBondContact O-N 3.04Å; D380-K383 WeakPolarHBondContact O-CG 3.43Å; D380-K383 PolarHBondContact O-N 3.43Å
384C97.3Very high96.4Very high7 Ų746.8 Ų46.85%0.04722%0.223CC..EExtended strand (participates in β ladder)trans-64.3139.7-169.3-60.90000110.3F39 E40 W148 M151 R379 Q382F39-C384 HydrophobicContact CE2-CB 3.8Å; F39-C384 HydrophobicContact CZ-CB 3.66Å; E40-C384 CarbonylContact O-C 3.44Å; E40-C384 WeakPolarHBondContact O-CA 3.37Å; W148-C384 HydrophobicContact CB-CB 3.96Å; M151-C384 WeakPolarHBondContact CE-SG 3.34Å; R379-C384 HydrophobicContact CG-CB 3.99Å; R379-C384 PolarHBondContact O-N 2.91Å; R379-C384 VanDerWaalsContact O-N 3.13Å; Q382-C384 PolarHBondContact O-N 3.17Å
385A95.7Very high96.4Very high13 Ų1349.5 Ų49.511%0.10725%0.25CS..EExtended strand (participates in β ladder)trans-141.4141.7-179.300000111.2F39 E40 R42F39-A385 VanDerWaalsContact CA-O 3.31Å; F39-A385 WeakPolarHBondContact CA-O 3.42Å; E40-A385 PolarHBondContact N-O 3.44Å; E40-A385 PolarHBondContact O-N 3.21Å; R42-A385 HydrophobicContact CG-CB 4.19Å
386F97.6Very high96.6Very high14 Ų1454.7 Ų54.76%0.06127%0.266CS..EExtended strand (participates in β ladder)trans-111.9130167.5-169.1-82.4000108.4Y38 F39 M124 V126 E141 L144 V145Y38-F386 CarbonylContact O-C 3.57Å; Y38-F386 VanDerWaalsContact O-CA 3.25Å; Y38-F386 WeakPolarHBondContact O-CA 3.27Å; F39-F386 HydrophobicContact CB-CD2 4.06Å; F39-F386 HydrophobicContact CD2-CB 4.46Å; M124-F386 HydrophobicContact CE-CD2 4.37Å; M124-F386 HydrophobicContact CE-CE2 4.14Å; V126-F386 HydrophobicContact CB-CE2 4.45Å; V126-F386 HydrophobicContact CB-CZ 4.11Å; V126-F386 HydrophobicContact CG2-CE2 3.73Å; V126-F386 HydrophobicContact CG2-CZ 3.88Å; E141-F386 HydrophobicContact CB-CD1 3.91Å; E141-F386 HydrophobicContact CB-CE1 4.1Å; E141-F386 HydrophobicContact CB-CG 4.32Å; E141-F386 HydrophobicContact CG-CB 3.76Å; E141-F386 HydrophobicContact CG-CD1 3.61Å; E141-F386 HydrophobicContact CG-CD2 4.5Å; E141-F386 HydrophobicContact CG-CE1 4.31Å; E141-F386 HydrophobicContact CG-CG 3.73Å; L144-F386 HydrophobicContact CD1-CE2 4.36Å; V145-F386 HydrophobicContact CG2-CB 3.53Å; V145-F386 HydrophobicContact CG2-CD2 4.41Å; V145-F386 HydrophobicContact CG2-CG 4.25Å
387K96.9Very high96.8Very high34 Ų3453.7 Ų53.715%0.14827%0.267CS..EExtended strand (participates in β ladder)trans-146.9144.2-175.5-63.6-168.6-178.6178.80111.5S37 Y38 K410S37-K387 CarbonylContact C-O 3.43Å; S37-K387 WeakPolarHBondContact CA-O 3.43Å; S37-K387 VanDerWaalsContact CB-O 3.31Å; S37-K387 WeakPolarHBondContact CB-O 3.46Å; Y38-K387 HydrophobicContact CD1-CB 4.32Å; Y38-K387 WeakPolarHBondContact CD1-O 3.25Å; Y38-K387 HydrophobicContact CE1-CB 3.69Å; Y38-K387 PolarHBondContact N-O 3.18Å; Y38-K387 PolarHBondContact O-N 2.92Å; K387-K410 PolarHBondContact NZ-O 2.86Å
388S97.4Very high96.7Very high29 Ų2956.4 Ų56.420%0.20328%0.281CS..EExtended strand (participates in β ladder)trans-76.8133.7166.6-52.60000110.3Y36 S37 T138Y36-S388 WeakPolarHBondContact O-CA 3.46Å; S37-S388 WeakPolarHBondContact OG-CA 3.11Å; S37-S388 PolarHBondContact OG-OG 3.14Å; T138-S388 WeakPolarHBondContact CG2-OG 3.45Å
389S97.6Very high96.5Very high0 Ų056.3 Ų56.30%028%0.278CS..EExtended strand (participates in β ladder)trans-120.1-17178.860.20000113.1Y36 V400 G415Y36-S389 VanDerWaalsContact CD1-OG 3.29Å; Y36-S389 WeakPolarHBondContact CD1-OG 3.36Å; Y36-S389 WeakPolarHBondContact CE1-OG 3.34Å; Y36-S389 PolarHBondContact O-N 3.19Å; S389-V400 CarbonylContact C-O 3.54Å; S389-V400 VanDerWaalsContact CA-O 3.26Å; S389-V400 WeakPolarHBondContact CA-O 3.2Å; S389-V400 PolarHBondContact O-N 3.04Å; S389-V400 VanDerWaalsContact O-O 3.06Å; S389-G415 WeakPolarHBondContact CB-O 3.29Å; S389-G415 WeakPolarHBondContact O-CA 3.46Å; S389-G415 PolarHBondContact O-N 3.4Å; S389-G415 PolarHBondContact OG-O 3.42Å
390F98.1Very high96.3Very high9 Ų952.9 Ų52.94%0.03927%0.27CS..EExtended strand (participates in β ladder)trans-150.7148.9-177.3175.8-91.3000111.7Y36 I392 K397 I398Y36-F390 HydrophobicContact CD1-CB 4.09Å; Y36-F390 HydrophobicContact CG-CB 4.35Å; Y36-F390 PolarHBondContact N-O 2.8Å; Y36-F390 PolarHBondContact O-N 2.99Å; F390-I392 HydrophobicContact CE1-CD1 4.15Å; F390-I392 HydrophobicContact CE1-CG1 3.71Å; F390-I392 HydrophobicContact CZ-CD1 4.43Å; F390-I392 HydrophobicContact CZ-CG1 3.94Å; F390-K397 HydrophobicContact CE2-CB 3.81Å; F390-K397 HydrophobicContact CE2-CD 4.32Å; F390-K397 HydrophobicContact CE2-CG 4.21Å; F390-K397 HydrophobicContact CZ-CB 3.87Å; F390-K397 HydrophobicContact CZ-CD 4.05Å; F390-K397 HydrophobicContact CZ-CG 3.81Å; F390-I398 WeakPolarHBondContact CA-O 3.24Å
391A97.9Very high96.2Very high5 Ų550.7 Ų50.74%0.04126%0.262CS..EExtended strand (participates in β ladder)trans-144.7160.4174.500000112.3F34 I35 I398 V400F34-A391 CarbonylContact O-C 3.55Å; F34-A391 WeakPolarHBondContact O-CA 3.28Å; F34-A391 WeakPolarHBondContact O-CB 3.45Å; I35-A391 HydrophobicContact CD1-CB 3.75Å; A391-I398 PolarHBondContact N-O 3.34Å; A391-I398 PolarHBondContact O-N 3.47Å; A391-V400 HydrophobicContact CB-CG2 3.93Å
392I98.3Very high95.8Very high28 Ų2855.3 Ų55.314%0.14428%0.28CS..EExtended strand (participates in β ladder)trans-119.7125.2165.2-60.6175.2000107.9E33 F34 F390 R396 K397E33-I392 HydrophobicContact CB-CG2 4.42Å; E33-I392 PolarHBondContact N-O 2.66Å; F34-I392 HydrophobicContact CB-CB 4.1Å; F34-I392 HydrophobicContact CB-CD1 4.25Å; F34-I392 HydrophobicContact CB-CG1 4.25Å; F34-I392 HydrophobicContact CD2-CB 4.09Å; F34-I392 HydrophobicContact CD2-CD1 3.83Å; F34-I392 HydrophobicContact CD2-CG1 4.42Å; F34-I392 HydrophobicContact CG-CD1 4.33Å; F34-I392 PolarHBondContact N-O 3.3Å; F34-I392 PolarHBondContact O-N 3.05Å; F390-I392 HydrophobicContact CE1-CD1 4.15Å; F390-I392 HydrophobicContact CE1-CG1 3.71Å; F390-I392 HydrophobicContact CZ-CD1 4.43Å; F390-I392 HydrophobicContact CZ-CG1 3.94Å; I392-R396 WeakPolarHBondContact CA-O 3.34Å; I392-K397 HydrophobicContact CG1-CG 4.49Å
393V98Very high95.5Very high15 Ų1559 Ų599%0.09130%0.297CS..EExtended strand (participates in β ladder)trans-133.1119.8-179.8-176.50000108.6P29 G31 T32 G395 R396 I398P29-V393 HydrophobicContact CB-CG1 3.95Å; G31-V393 CarbonylContact O-C 3.49Å; G31-V393 WeakPolarHBondContact O-CA 3.39Å; T32-V393 HydrophobicContact CG2-CG2 4.38Å; V393-G395 VanDerWaalsContact C-N 3.28Å; V393-G395 PolarHBondContact O-N 3.09Å; V393-R396 PolarHBondContact N-O 3.32Å; V393-R396 WeakPolarHBondContact O-CB 3.21Å; V393-R396 PolarHBondContact O-N 2.65Å; V393-I398 HydrophobicContact CB-CD1 3.79Å; V393-I398 HydrophobicContact CG2-CD1 3.69Å
394N97.6Very high95Very high113 Ų11355.3 Ų55.360%0.60428%0.284SS*.THydrogen-bonded Turntrans51.146.4-175-61.1-61.5000112.3A30 G31 E33 R396A30-N394 PolarHBondContact O-ND2 3.32Å; G31-N394 WeakPolarHBondContact CA-OD1 3.46Å; G31-N394 PolarHBondContact O-N 2.72Å; E33-N394 PolarHBondContact OE2-N 2.88Å; N394-R396 PolarHBondContact O-N 3.46Å; N394-R396 VanDerWaalsContact O-N 3.08Å
395G96.6Very high94.5Very high56 Ų5663 Ų6358%0.57732%0.323SS*.THydrogen-bonded Turntrans69.9-3.8-176.200000115.2E33 V393E33-G395 PolarHBondContact OE2-N 2.78Å; V393-G395 VanDerWaalsContact C-N 3.28Å; V393-G395 PolarHBondContact O-N 3.09Å
396R97.2Very high94.1Very high193 Ų19368.9 Ų68.973%0.72836%0.358SS*.EExtended strand (participates in β ladder)trans-92.3129.6-179.1-60.7-177.6-179.2-179.40.4110.9I392 V393 N394I392-R396 WeakPolarHBondContact CA-O 3.34Å; V393-R396 PolarHBondContact N-O 3.32Å; V393-R396 WeakPolarHBondContact O-CB 3.21Å; V393-R396 PolarHBondContact O-N 2.65Å; N394-R396 PolarHBondContact O-N 3.46Å; N394-R396 VanDerWaalsContact O-N 3.08Å
397K96.5Very high93.4Very high166 Ų16670.1 Ų70.172%0.72237%0.365SS*.EExtended strand (participates in β ladder)trans-74.7127.7174.5-62-174.2-179.5174.90110.2F390 I392F390-K397 HydrophobicContact CE2-CB 3.81Å; F390-K397 HydrophobicContact CE2-CD 4.32Å; F390-K397 HydrophobicContact CE2-CG 4.21Å; F390-K397 HydrophobicContact CZ-CB 3.87Å; F390-K397 HydrophobicContact CZ-CD 4.05Å; F390-K397 HydrophobicContact CZ-CG 3.81Å; I392-K397 HydrophobicContact CG1-CG 4.49Å
398I94.2Very high92.6Very high73 Ų7372.7 Ų72.737%0.37439%0.385SS..EExtended strand (participates in β ladder)trans-124.5130.8-178.5-57.7-180000109.5F390 A391 V393F390-I398 WeakPolarHBondContact CA-O 3.24Å; A391-I398 PolarHBondContact N-O 3.34Å; A391-I398 PolarHBondContact O-N 3.47Å; V393-I398 HydrophobicContact CB-CD1 3.79Å; V393-I398 HydrophobicContact CG2-CD1 3.69Å
399Q91.4Very high91.6Very high86 Ų8679.9 Ų79.940%0.40242%0.416SS..EExtended strand (participates in β ladder)trans-79.6122169.6-59.8-66.1-0.700109
400V92.2Very high90.8Very high51 Ų5184.1 Ų84.131%0.30943%0.434SS..  trans-104.3128.4178.6-177.60000108.1S389 A391S389-V400 CarbonylContact C-O 3.54Å; S389-V400 VanDerWaalsContact CA-O 3.26Å; S389-V400 WeakPolarHBondContact CA-O 3.2Å; S389-V400 PolarHBondContact O-N 3.04Å; S389-V400 VanDerWaalsContact O-O 3.06Å; A391-V400 HydrophobicContact CB-CG2 3.93Å
401S91Very high90.2Very high43 Ų4387.5 Ų87.530%0.30145%0.452SS..  trans-159.4146.2179.457.10000112.8H403 S412 K414S401-H403 VanDerWaalsContact CB-NE2 3.27Å; S401-H403 WeakPolarHBondContact CB-NE2 3.4Å; S401-H403 PolarHBondContact OG-CD2 2.93Å; S401-H403 PolarHBondContact OG-NE2 2.83Å; S401-S412 WeakPolarHBondContact CA-OG 3.34Å; S401-K414 WeakPolarHBondContact OG-CD 3.25Å; S401-K414 WeakPolarHBondContact OG-CE 3.21Å; S401-K414 PolarHBondContact OG-NZ 3.23Å
402K88.7Confident89.8Confident117 Ų11787.7 Ų87.751%0.50945%0.454SS..  trans-98125.5175.4-173.2-177179.6168.40109.2N411 S412K402-N411 WeakPolarHBondContact O-CA 3.43Å; K402-S412 PolarHBondContact N-OG 2.98Å; K402-S412 PolarHBondContact O-N 3.34Å; K402-S412 VanDerWaalsContact O-N 3.11Å
403H88.9Confident89.6Confident80 Ų8087.3 Ų87.337%0.3745%0.451SS..  trans-13679.2176.2-64.2-66.4000110.9S401 I405 N411 K414S401-H403 VanDerWaalsContact CB-NE2 3.27Å; S401-H403 WeakPolarHBondContact CB-NE2 3.4Å; S401-H403 PolarHBondContact OG-CD2 2.93Å; S401-H403 PolarHBondContact OG-NE2 2.83Å; H403-I405 PolarHBondContact O-N 3.44Å; H403-N411 WeakPolarHBondContact CA-OD1 3.35Å; H403-N411 VanDerWaalsContact ND1-CG 3.25Å; H403-N411 PolarHBondContact ND1-OD1 2.84Å; H403-K414 VanDerWaalsContact CE1-CE 3.42Å; H403-K414 WeakPolarHBondContact CE1-CE 3.32Å; H403-K414 WeakPolarHBondContact NE2-CE 3.41Å; H403-K414 PolarHBondContact NE2-NZ 3.35Å
404P85.3Confident89.4Confident30 Ų3089.3 Ų89.320%0.19546%0.459CS..  trans-77.7126.4-177.729.5-23.4000109.9T406 D407 K410P404-T406 PolarHBondContact O-N 2.99Å; P404-D407 HydrophobicContact CG-CB 4.43Å; P404-D407 WeakPolarHBondContact CG-O 3.38Å; P404-D407 CarbonylContact O-C 3.37Å; P404-D407 PolarHBondContact O-N 2.88Å; P404-D407 VanDerWaalsContact O-N 3.13Å; P404-K410 HydrophobicContact CG-CB 3.75Å
405I88.1Confident89.3Confident168 Ų16884 Ų8486%0.86243%0.43SS*.THydrogen-bonded Turntrans-57.6-34.8-180-63.4170.6000111.6H403 D407H403-I405 PolarHBondContact O-N 3.44Å; I405-D407 VanDerWaalsContact C-N 3.32Å; I405-D407 PolarHBondContact O-N 3.38Å
406T86.2Confident89.4Confident136 Ų13685.5 Ų85.583%0.83442%0.418SS*.THydrogen-bonded Turntrans-78.1-12.5-177.352.50000114.3P404P404-T406 PolarHBondContact O-N 2.99Å
407D82.5Confident89.4Confident41 Ų4176.6 Ų76.622%0.21939%0.385CS..  trans-153.978.4-178-169.1-16.8000111.1P404 I405 Q409 K410P404-D407 HydrophobicContact CG-CB 4.43Å; P404-D407 WeakPolarHBondContact CG-O 3.38Å; P404-D407 CarbonylContact O-C 3.37Å; P404-D407 PolarHBondContact O-N 2.88Å; P404-D407 VanDerWaalsContact O-N 3.13Å; I405-D407 VanDerWaalsContact C-N 3.32Å; I405-D407 PolarHBondContact O-N 3.38Å; D407-Q409 PolarHBondContact O-N 3.42Å; D407-Q409 WeakPolarHBondContact OD1-CB 3.38Å; D407-Q409 PolarHBondContact OD1-N 3.24Å; D407-K410 HydrophobicContact CB-CB 4.38Å; D407-K410 HydrophobicContact CB-CD 4.05Å; D407-K410 HydrophobicContact CB-CG 4.26Å; D407-K410 WeakPolarHBondContact O-CB 3.49Å; D407-K410 PolarHBondContact O-N 2.86Å; D407-K410 WeakPolarHBondContact OD2-CD 3.36Å; D407-K410 WeakPolarHBondContact OD2-CE 3.43Å; D407-K410 WeakPolarHBondContact OD2-CG 3.4Å; D407-K410 IonicContact OD2-NZ 2.7Å; D407-K410 PolarHBondContact OD2-NZ 3.48Å
408P81.3Confident89.4Confident87 Ų8769.3 Ų69.357%0.56536%0.355SS*.G310 helixtrans-57.4-22.5-180-25.935.2000113.8K410 N411P408-K410 PolarHBondContact O-N 2.83Å; P408-N411 WeakPolarHBondContact O-CB 3.43Å; P408-N411 PolarHBondContact O-N 2.89Å; P408-N411 PolarHBondContact O-ND2 3.28Å; P408-N411 PolarHBondContact O-OD1 2.98Å
409Q77Confident89.6Confident180 Ų18065.9 Ų65.984%0.84134%0.337SS*.G310 helixtrans-70-14.9175.9-57.6-172.61.100112.7D407 N411D407-Q409 PolarHBondContact O-N 3.42Å; D407-Q409 WeakPolarHBondContact OD1-CB 3.38Å; D407-Q409 PolarHBondContact OD1-N 3.24Å; Q409-N411 VanDerWaalsContact C-N 3.3Å
410K79.1Confident89.9Confident90 Ų9062.8 Ų62.839%0.39132%0.322SS..G310 helixtrans-87.68.5174.9-74.7-179.6179.11330114.1K387 P404 D407 P408 S412K387-K410 PolarHBondContact NZ-O 2.86Å; P404-K410 HydrophobicContact CG-CB 3.75Å; D407-K410 HydrophobicContact CB-CB 4.38Å; D407-K410 HydrophobicContact CB-CD 4.05Å; D407-K410 HydrophobicContact CB-CG 4.26Å; D407-K410 WeakPolarHBondContact O-CB 3.49Å; D407-K410 PolarHBondContact O-N 2.86Å; D407-K410 WeakPolarHBondContact OD2-CD 3.36Å; D407-K410 WeakPolarHBondContact OD2-CE 3.43Å; D407-K410 WeakPolarHBondContact OD2-CG 3.4Å; D407-K410 IonicContact OD2-NZ 2.7Å; D407-K410 PolarHBondContact OD2-NZ 3.48Å; P408-K410 PolarHBondContact O-N 2.83Å; K410-S412 PolarHBondContact O-N 3.49Å
411N85.7Confident90.1Very high79 Ų7967 Ų6742%0.42234%0.337SS..PPolyproline II helixtrans-49.7134.1170.2-75.4-11.6000110.9K402 H403 P408 Q409K402-N411 WeakPolarHBondContact O-CA 3.43Å; H403-N411 WeakPolarHBondContact CA-OD1 3.35Å; H403-N411 VanDerWaalsContact ND1-CG 3.25Å; H403-N411 PolarHBondContact ND1-OD1 2.84Å; P408-N411 WeakPolarHBondContact O-CB 3.43Å; P408-N411 PolarHBondContact O-N 2.89Å; P408-N411 PolarHBondContact O-ND2 3.28Å; P408-N411 PolarHBondContact O-OD1 2.98Å; Q409-N411 VanDerWaalsContact C-N 3.3Å
412S91.1Very high90.1Very high10 Ų1066.4 Ų66.47%0.0733%0.332CS..PPolyproline II helixtrans-100.2160.3174.770.60000111.6S401 K402 K410S401-S412 WeakPolarHBondContact CA-OG 3.34Å; K402-S412 PolarHBondContact N-OG 2.98Å; K402-S412 PolarHBondContact O-N 3.34Å; K402-S412 VanDerWaalsContact O-N 3.11Å; K410-S412 PolarHBondContact O-N 3.49Å
413K94.2Very high90.1Very high19 Ų1967.3 Ų67.38%0.08335%0.35CS..PPolyproline II helixtrans-64158.2169.1-60.1-173.5160.154.60111.3Y38 E40 K120 L417 T430 E432Y38-K413 HydrophobicContact CE1-CB 3.9Å; Y38-K413 HydrophobicContact CE2-CB 4.36Å; Y38-K413 HydrophobicContact CE2-CD 4.08Å; Y38-K413 HydrophobicContact CE2-CG 4.27Å; Y38-K413 PolarHBondContact OH-N 2.88Å; Y38-K413 VanDerWaalsContact OH-N 3.09Å; E40-K413 IonicContact OE1-NZ 3.64Å; E40-K413 IonicContact OE2-NZ 3.6Å; E40-K413 PolarHBondContact OE2-NZ 3.3Å; K120-K413 WeakPolarHBondContact O-CE 3.32Å; K120-K413 PolarHBondContact O-NZ 3.2Å; K413-L417 HydrophobicContact CB-CD1 4.31Å; K413-L417 HydrophobicContact CB-CD2 4.08Å; K413-L417 HydrophobicContact CD-CD1 3.96Å; K413-L417 HydrophobicContact CD-CD2 4.33Å; K413-T430 HydrophobicContact CD-CG2 3.74Å; K413-T430 VanDerWaalsContact CE-CG2 3.47Å; K413-E432 WeakPolarHBondContact CA-OE2 3.2Å; K413-E432 HydrophobicContact CB-CG 4.27Å; K413-E432 VanDerWaalsContact CB-OE2 3.27Å; K413-E432 WeakPolarHBondContact CB-OE2 3.36Å; K413-E432 HydrophobicContact CD-CG 4.39Å; K413-E432 HydrophobicContact CG-CG 4.36Å; K413-E432 WeakPolarHBondContact CG-OE1 3.31Å
414K93.3Very high90Very high58 Ų5871.1 Ų71.125%0.25237%0.371SS..  trans-126.5147.6179.3-33.7-164.7-175.7-165.20111.7S401 H403 E432 E433S401-K414 WeakPolarHBondContact OG-CD 3.25Å; S401-K414 WeakPolarHBondContact OG-CE 3.21Å; S401-K414 PolarHBondContact OG-NZ 3.23Å; H403-K414 VanDerWaalsContact CE1-CE 3.42Å; H403-K414 WeakPolarHBondContact CE1-CE 3.32Å; H403-K414 WeakPolarHBondContact NE2-CE 3.41Å; H403-K414 PolarHBondContact NE2-NZ 3.35Å; K414-E432 PolarHBondContact N-OE2 3.32Å; K414-E433 HydrophobicContact CB-CG 4.26Å; K414-E433 PolarHBondContact O-N 2.71Å
415G95.8Very high90.2Very high0 Ų073.8 Ų73.80%039%0.387CS..SBendtrans77-163.2170.700000115.4S389S389-G415 WeakPolarHBondContact CB-O 3.29Å; S389-G415 WeakPolarHBondContact O-CA 3.46Å; S389-G415 PolarHBondContact O-N 3.4Å; S389-G415 PolarHBondContact OG-O 3.42Å
416R96.9Very high90.3Very high88 Ų8868.1 Ų68.133%0.33237%0.37SS..SBendtrans-70.8134.6172.5-65.2-82-177.7-178.7-4.2108E127 E432 E433 G434E127-R416 IonicContact OE1-CZ 2.62Å; E127-R416 VanDerWaalsContact OE1-CZ 3.23Å; E127-R416 IonicContact OE1-NH1 2.64Å; E127-R416 PolarHBondContact OE1-NH1 3.35Å; E127-R416 IonicContact OE1-NH2 3.42Å; E127-R416 PolarHBondContact OE1-NH2 2.89Å; E127-R416 IonicContact OE2-CZ 2.68Å; E127-R416 IonicContact OE2-NH1 3.92Å; E127-R416 PolarHBondContact OE2-NH1 3.29Å; E127-R416 IonicContact OE2-NH2 2.74Å; R416-E432 CarbonylContact O-C 3.6Å; R416-E433 PolarHBondContact O-N 2.91Å; R416-G434 PolarHBondContact O-N 3.44Å
417L97.7Very high90.5Very high7 Ų766.9 Ų66.94%0.03736%0.356CS..  trans-112.9142.8-177.4-50.4-178.5000110.2Y36 Y38 V122 K413 T430 V431 E432Y36-L417 HydrophobicContact CE1-CG 4.22Å; Y36-L417 PolarHBondContact OH-N 3.06Å; Y36-L417 PolarHBondContact OH-O 2.93Å; Y38-L417 HydrophobicContact CD1-CD1 3.75Å; Y38-L417 HydrophobicContact CD2-CD1 3.94Å; Y38-L417 HydrophobicContact CE1-CD1 4.4Å; Y38-L417 HydrophobicContact CG-CD1 3.5Å; Y38-L417 VanDerWaalsContact CG-CD1 3.5Å; V122-L417 HydrophobicContact CB-CD1 4.17Å; V122-L417 HydrophobicContact CG1-CB 4.36Å; V122-L417 HydrophobicContact CG2-CD1 4.11Å; K413-L417 HydrophobicContact CB-CD1 4.31Å; K413-L417 HydrophobicContact CB-CD2 4.08Å; K413-L417 HydrophobicContact CD-CD1 3.96Å; K413-L417 HydrophobicContact CD-CD2 4.33Å; L417-T430 HydrophobicContact CB-CG2 4.09Å; L417-T430 HydrophobicContact CD1-CG2 4.38Å; L417-T430 HydrophobicContact CD2-CG2 4.23Å; L417-T430 HydrophobicContact CG-CG2 4.47Å; L417-V431 WeakPolarHBondContact CA-O 3.48Å; L417-E432 HydrophobicContact CD2-CB 4.16Å; L417-E432 HydrophobicContact CD2-CG 3.95Å
418T97.9Very high91.2Very high13 Ų1365.9 Ų65.98%0.0835%0.351CS..EExtended strand (participates in β ladder)trans-121.5154.4161.259.60000108.9E420 T430 V431 G436 D441T418-E420 PolarHBondContact OG1-OE1 3.24Å; T418-T430 CarbonylContact O-C 3.46Å; T418-T430 VanDerWaalsContact O-CA 3.29Å; T418-T430 WeakPolarHBondContact O-CA 3.38Å; T418-V431 PolarHBondContact N-O 2.84Å; T418-V431 VanDerWaalsContact N-O 3.11Å; T418-V431 PolarHBondContact O-N 2.81Å; T418-G436 WeakPolarHBondContact OG1-CA 3.44Å; T418-D441 WeakPolarHBondContact CA-OD1 3.44Å; T418-D441 HydrophobicContact CG2-CB 3.91Å
419L98.3Very high91.9Very high0 Ų064.7 Ų64.70%034%0.342CS..EExtended strand (participates in β ladder)trans-108.4118.5166.4-174.471.3000109.1V111 V117 N121 V122 L428 D441 L442 L443V111-L419 HydrophobicContact CG1-CD2 3.23Å; V117-L419 HydrophobicContact CG1-CD2 4.42Å; N121-L419 HydrophobicContact CB-CD1 3.77Å; V122-L419 HydrophobicContact CG1-CB 4.01Å; V122-L419 HydrophobicContact CG1-CD1 4.41Å; L419-L428 HydrophobicContact CD1-CB 4.16Å; L419-L428 HydrophobicContact CD2-CD1 4.19Å; L419-L428 HydrophobicContact CG-CB 4.43Å; L419-D441 PolarHBondContact N-OD1 2.71Å; L419-L442 HydrophobicContact CB-CB 4.39Å; L419-L442 HydrophobicContact CD2-CB 4.39Å; L419-L442 HydrophobicContact CG-CD1 4.48Å; L419-L442 WeakPolarHBondContact O-CB 3.42Å; L419-L442 WeakPolarHBondContact O-CG 3.43Å; L419-L442 PolarHBondContact O-N 3.01Å; L419-L443 HydrophobicContact CB-CD2 4.33Å; L419-L443 HydrophobicContact CB-CG 4.06Å
420E97.5Very high92.9Very high21 Ų2156.8 Ų56.810%0.09831%0.306CS..EExtended strand (participates in β ladder)trans-125160.9-174-59.6-174-150.700111T418 L428 V429 V431 G436 S437 N440T418-E420 PolarHBondContact OG1-OE1 3.24Å; E420-L428 CarbonylContact O-C 3.59Å; E420-L428 WeakPolarHBondContact O-CA 3.49Å; E420-V429 PolarHBondContact N-O 2.82Å; E420-V429 PolarHBondContact O-N 2.91Å; E420-V431 HydrophobicContact CB-CG2 4.42Å; E420-V431 HydrophobicContact CG-CG2 4.23Å; E420-G436 WeakPolarHBondContact OE1-CA 3.21Å; E420-S437 PolarHBondContact OE1-N 3.13Å; E420-N440 HydrophobicContact CB-CB 4.32Å; E420-N440 HydrophobicContact CG-CB 3.76Å; E420-N440 VanDerWaalsContact OE2-CB 3.27Å; E420-N440 WeakPolarHBondContact OE2-CB 3.48Å; E420-N440 PolarHBondContact OE2-ND2 3.13Å; E420-N440 VanDerWaalsContact OE2-ND2 3.12Å
421K95.6Very high93.7Very high141 Ų14154.3 Ų54.361%0.61330%0.298SS*.EExtended strand (participates in β ladder)trans-82.5124165.4-69.6-177.6178.7-177.50108.6P423 L428 L442K421-P423 WeakPolarHBondContact O-CD 3.48Å; K421-L428 HydrophobicContact CG-CD2 3.76Å; K421-L442 HydrophobicContact CG-CD1 4.3Å
422C91.1Very high94.2Very high30 Ų3053.9 Ų53.920%0.20329%0.294CS..  trans-59123172179.90000109.3I424 T425 G426 M427 V429C422-I424 PolarHBondContact O-N 3.36Å; C422-I424 VanDerWaalsContact O-N 3.15Å; C422-T425 VanDerWaalsContact CB-OG1 3.31Å; C422-T425 WeakPolarHBondContact CB-OG1 3.47Å; C422-G426 VanDerWaalsContact O-CA 3.26Å; C422-G426 WeakPolarHBondContact O-CA 3.37Å; C422-G426 PolarHBondContact O-N 2.74Å; C422-M427 WeakPolarHBondContact CB-O 3.46Å; C422-M427 PolarHBondContact N-O 2.83Å; C422-V429 HydrophobicContact CB-CG1 4.15Å
423P88.2Confident94.3Very high136 Ų13658.6 Ų58.688%0.88332%0.315SS*.THydrogen-bonded Turntrans-61.8-24.9-179.3-25.134.6000113.8K421K421-P423 WeakPolarHBondContact O-CD 3.48Å
424I88.1Confident94.3Very high160 Ų16059.9 Ų59.982%0.82133%0.333SS*.THydrogen-bonded Turntrans-87.5-49-176.4-59169.8000111C422C422-I424 PolarHBondContact O-N 3.36Å; C422-I424 VanDerWaalsContact O-N 3.15Å
425T88.4Confident94.3Very high86 Ų8662.1 Ų62.153%0.52836%0.355SS..THydrogen-bonded Turntrans-100.7-13-172.766.10000113.8C422 M427C422-T425 VanDerWaalsContact CB-OG1 3.31Å; C422-T425 WeakPolarHBondContact CB-OG1 3.47Å; T425-M427 PolarHBondContact O-N 2.67Å; T425-M427 VanDerWaalsContact O-N 3.09Å; T425-M427 WeakPolarHBondContact OG1-CB 3.46Å; T425-M427 PolarHBondContact OG1-N 3.14Å
426G90.5Very high94.2Very high49 Ų4962.8 Ų62.851%0.50536%0.362SS..  trans70.2-7.4-170.900000114.7C422C422-G426 VanDerWaalsContact O-CA 3.26Å; C422-G426 WeakPolarHBondContact O-CA 3.37Å; C422-G426 PolarHBondContact O-N 2.74Å
427M91.1Very high94Very high109 Ų10960.4 Ų60.454%0.53736%0.359SS..  trans-72.2151.9-178.8-65.8-17863.100112.1P118 C422 T425P118-M427 HydrophobicContact CB-CE 4.48Å; P118-M427 HydrophobicContact CG-CE 4.18Å; C422-M427 WeakPolarHBondContact CB-O 3.46Å; C422-M427 PolarHBondContact N-O 2.83Å; T425-M427 PolarHBondContact O-N 2.67Å; T425-M427 VanDerWaalsContact O-N 3.09Å; T425-M427 WeakPolarHBondContact OG1-CB 3.46Å; T425-M427 PolarHBondContact OG1-N 3.14Å
428L96.3Very high93.7Very high20 Ų2065.3 Ų65.311%0.10539%0.391CS..EExtended strand (participates in β ladder)trans-71.6131173.2-53.9-174.6000110.6T115 V117 N121 L419 E420 K421 L442T115-L428 HydrophobicContact CG2-CD1 4.2Å; V117-L428 HydrophobicContact CB-CD1 4.44Å; V117-L428 HydrophobicContact CG1-CD1 4.27Å; V117-L428 HydrophobicContact CG2-CD1 4.06Å; N121-L428 PolarHBondContact ND2-O 3.38Å; N121-L428 VanDerWaalsContact ND2-O 3.14Å; L419-L428 HydrophobicContact CD1-CB 4.16Å; L419-L428 HydrophobicContact CD2-CD1 4.19Å; L419-L428 HydrophobicContact CG-CB 4.43Å; E420-L428 CarbonylContact O-C 3.59Å; E420-L428 WeakPolarHBondContact O-CA 3.49Å; K421-L428 HydrophobicContact CG-CD2 3.76Å; L428-L442 HydrophobicContact CD2-CD1 3.4Å
429V96.9Very high93.5Very high63 Ų6375.1 Ų75.138%0.38243%0.428SS..EExtended strand (participates in β ladder)trans-137.5137.1179.365.70000110.5N121 E420 C422N121-V429 VanDerWaalsContact OD1-C 3.31Å; N121-V429 VanDerWaalsContact OD1-CA 3.24Å; N121-V429 WeakPolarHBondContact OD1-CA 3.49Å; E420-V429 PolarHBondContact N-O 2.82Å; E420-V429 PolarHBondContact O-N 2.91Å; C422-V429 HydrophobicContact CB-CG1 4.15Å
430T97.4Very high93.3Very high14 Ų1479.4 Ų79.49%0.08645%0.451CS..EExtended strand (participates in β ladder)trans-81.4125.9172.5-55.40000109.5N121 V122 K413 L417 T418 E432N121-T430 WeakPolarHBondContact CA-OG1 3.46Å; N121-T430 PolarHBondContact OD1-N 3.17Å; N121-T430 PolarHBondContact OD1-OG1 2.78Å; N121-T430 VanDerWaalsContact OD1-OG1 3.06Å; V122-T430 HydrophobicContact CB-CG2 4.14Å; V122-T430 HydrophobicContact CG1-CG2 3.71Å; V122-T430 PolarHBondContact N-OG1 3.28Å; K413-T430 HydrophobicContact CD-CG2 3.74Å; K413-T430 VanDerWaalsContact CE-CG2 3.47Å; L417-T430 HydrophobicContact CB-CG2 4.09Å; L417-T430 HydrophobicContact CD1-CG2 4.38Å; L417-T430 HydrophobicContact CD2-CG2 4.23Å; L417-T430 HydrophobicContact CG-CG2 4.47Å; T418-T430 CarbonylContact O-C 3.46Å; T418-T430 VanDerWaalsContact O-CA 3.29Å; T418-T430 WeakPolarHBondContact O-CA 3.38Å; T430-E432 HydrophobicContact CG2-CG 4.46Å
431V96.6Very high93.3Very high38 Ų3879.6 Ų79.623%0.2345%0.453CS..EExtended strand (participates in β ladder)trans-98.5127.8170.5-170.20000108.1L417 T418 E420 C435L417-V431 WeakPolarHBondContact CA-O 3.48Å; T418-V431 PolarHBondContact N-O 2.84Å; T418-V431 VanDerWaalsContact N-O 3.11Å; T418-V431 PolarHBondContact O-N 2.81Å; E420-V431 HydrophobicContact CB-CG2 4.42Å; E420-V431 HydrophobicContact CG-CG2 4.23Å; V431-C435 HydrophobicContact CG1-CB 3.95Å
432E95.5Very high93.4Very high69 Ų6975.8 Ų75.832%0.32244%0.439SS..  trans-99.3177.2-172.5-59.6-169.4-143.900112.4K413 K414 R416 L417 T430 G434 C435K413-E432 WeakPolarHBondContact CA-OE2 3.2Å; K413-E432 HydrophobicContact CB-CG 4.27Å; K413-E432 VanDerWaalsContact CB-OE2 3.27Å; K413-E432 WeakPolarHBondContact CB-OE2 3.36Å; K413-E432 HydrophobicContact CD-CG 4.39Å; K413-E432 HydrophobicContact CG-CG 4.36Å; K413-E432 WeakPolarHBondContact CG-OE1 3.31Å; K414-E432 PolarHBondContact N-OE2 3.32Å; R416-E432 CarbonylContact O-C 3.6Å; L417-E432 HydrophobicContact CD2-CB 4.16Å; L417-E432 HydrophobicContact CD2-CG 3.95Å; T430-E432 HydrophobicContact CG2-CG 4.46Å; E432-G434 PolarHBondContact O-N 3.23Å; E432-C435 PolarHBondContact O-N 3.12Å
433E94Very high93.8Very high110 Ų11074.6 Ų74.651%0.51443%0.43SS..THydrogen-bonded Turntrans60.410.4169.8-58.1-171.3-175.100116K414 R416 C435K414-E433 HydrophobicContact CB-CG 4.26Å; K414-E433 PolarHBondContact O-N 2.71Å; R416-E433 PolarHBondContact O-N 2.91Å; E433-C435 VanDerWaalsContact C-N 3.31Å
434G92.5Very high94.2Very high46 Ų4671 Ų7147%0.47440%0.403SS..THydrogen-bonded Turntrans76.816.3-17400000114R416 E432 G436R416-G434 PolarHBondContact O-N 3.44Å; E432-G434 PolarHBondContact O-N 3.23Å; G434-G436 VanDerWaalsContact C-N 3.26Å
435C94.8Very high94.7Very high104 Ų10465.9 Ų65.970%0.70338%0.38SS*.  trans-77.8-12.3175-63.10000113.2V431 E432 E433V431-C435 HydrophobicContact CG1-CB 3.95Å; E432-C435 PolarHBondContact O-N 3.12Å; E433-C435 VanDerWaalsContact C-N 3.31Å
436G92.8Very high95.2Very high15 Ų1562.2 Ų62.216%0.15536%0.357CS..SBendtrans-74.5158.9178.400000114.1T418 E420 G434T418-G436 WeakPolarHBondContact OG1-CA 3.44Å; E420-G436 WeakPolarHBondContact OE1-CA 3.21Å; G434-G436 VanDerWaalsContact C-N 3.26Å
437S93.1Very high95.6Very high37 Ų3759.9 Ų59.926%0.25933%0.333SS..  trans-94.9124.4177.3177.10000110.8E420 Y439 N440 D441E420-S437 PolarHBondContact OE1-N 3.13Å; S437-Y439 PolarHBondContact O-N 3.41Å; S437-Y439 VanDerWaalsContact O-N 3.1Å; S437-Y439 PolarHBondContact OG-N 2.98Å; S437-N440 PolarHBondContact O-N 3.37Å; S437-D441 PolarHBondContact O-N 2.8Å
438P91.6Very high95.9Very high110 Ų11059.6 Ų59.671%0.71433%0.329SS*.THydrogen-bonded Turntrans-57.4-24172-25.234.7000114N440P438-N440 VanDerWaalsContact C-N 3.34Å
439Y93.3Very high96Very high220 Ų22061.5 Ų61.586%0.86334%0.339SS*.THydrogen-bonded Turntrans-74.5-24.8177.4-64.2-79.2000113.2S437S437-Y439 PolarHBondContact O-N 3.41Å; S437-Y439 VanDerWaalsContact O-N 3.1Å; S437-Y439 PolarHBondContact OG-N 2.98Å
440N94.7Very high96.1Very high90 Ų9058.5 Ų58.548%0.48132%0.321SS..THydrogen-bonded Turntrans-98.5-9.5179.2-64.9-18.1000112.6E420 S437 P438 L442E420-N440 HydrophobicContact CB-CB 4.32Å; E420-N440 HydrophobicContact CG-CB 3.76Å; E420-N440 VanDerWaalsContact OE2-CB 3.27Å; E420-N440 WeakPolarHBondContact OE2-CB 3.48Å; E420-N440 PolarHBondContact OE2-ND2 3.13Å; E420-N440 VanDerWaalsContact OE2-ND2 3.12Å; S437-N440 PolarHBondContact O-N 3.37Å; P438-N440 VanDerWaalsContact C-N 3.34Å; N440-L442 PolarHBondContact O-N 3.03Å
441D97.7Very high96.2Very high25 Ų2562.4 Ų62.413%0.13434%0.341CS..  trans-68.2120.8-173.4-168.812.8000111.1T418 L419 S437 L443T418-D441 WeakPolarHBondContact CA-OD1 3.44Å; T418-D441 HydrophobicContact CG2-CB 3.91Å; L419-D441 PolarHBondContact N-OD1 2.71Å; S437-D441 PolarHBondContact O-N 2.8Å; D441-L443 VanDerWaalsContact C-N 3.31Å; D441-L443 WeakPolarHBondContact OD1-CB 3.08Å; D441-L443 WeakPolarHBondContact OD1-CG 3.49Å; D441-L443 PolarHBondContact OD1-N 3.37Å
442L97.5Very high96.3Very high60 Ų6062.3 Ų62.331%0.31434%0.338SS..  trans-83.4-9.9176.1-61.8174.4000112.2L419 K421 L428 N440 I444L419-L442 HydrophobicContact CB-CB 4.39Å; L419-L442 HydrophobicContact CD2-CB 4.39Å; L419-L442 HydrophobicContact CG-CD1 4.48Å; L419-L442 WeakPolarHBondContact O-CB 3.42Å; L419-L442 WeakPolarHBondContact O-CG 3.43Å; L419-L442 PolarHBondContact O-N 3.01Å; K421-L442 HydrophobicContact CG-CD1 4.3Å; L428-L442 HydrophobicContact CD2-CD1 3.4Å; N440-L442 PolarHBondContact O-N 3.03Å; L442-I444 PolarHBondContact O-N 3.48Å
443L98.4Very high96.4Very high5 Ų563.3 Ų63.33%0.02635%0.345CS..  trans-75.3107.8171-58.8177.4000109.7K109 V111 V122 T125 L419 D441K109-L443 HydrophobicContact CB-CB 4Å; V111-L443 HydrophobicContact CG1-CD2 3.76Å; V122-L443 HydrophobicContact CG1-CD1 3.83Å; V122-L443 HydrophobicContact CG1-CD2 4.38Å; V122-L443 HydrophobicContact CG1-CG 4.42Å; V122-L443 HydrophobicContact CG2-CD1 4.12Å; T125-L443 HydrophobicContact CG2-CD1 3.63Å; L419-L443 HydrophobicContact CB-CD2 4.33Å; L419-L443 HydrophobicContact CB-CG 4.06Å; D441-L443 VanDerWaalsContact C-N 3.31Å; D441-L443 WeakPolarHBondContact OD1-CB 3.08Å; D441-L443 WeakPolarHBondContact OD1-CG 3.49Å; D441-L443 PolarHBondContact OD1-N 3.37Å
444I97.6Very high96.6Very high60 Ų6061.4 Ų61.431%0.30834%0.335SS..EExtended strand (participates in β ladder)trans-97.9146.717864.8168.1000110.9K109 A110 P112 L442 I446 K454 Y456K109-I444 CarbonylContact C-O 3.23Å; K109-I444 WeakPolarHBondContact CA-O 3.42Å; K109-I444 WeakPolarHBondContact CB-O 3.45Å; A110-I444 PolarHBondContact N-O 3.05Å; A110-I444 PolarHBondContact O-N 2.68Å; P112-I444 HydrophobicContact CG-CD1 4.42Å; L442-I444 PolarHBondContact O-N 3.48Å; I444-I446 HydrophobicContact CG1-CG2 4.07Å; I444-I446 PolarHBondContact O-N 3.04Å; I444-K454 HydrophobicContact CD1-CG 4.46Å; I444-Y456 WeakPolarHBondContact CD1-OH 3.49Å
445P98.1Very high96.8Very high54 Ų5462.2 Ų62.235%0.35133%0.329SS..EExtended strand (participates in β ladder)trans-59122.6168.7-20.932.8000110.5K109 I453K109-P445 HydrophobicContact CG-CG 4.4Å; P445-I453 HydrophobicContact CB-CD1 3.8Å
446I98.4Very high97Very high8 Ų857.6 Ų57.64%0.04130%0.296CS..EExtended strand (participates in β ladder)trans-113.8-21.1178.160163.3000112.4L54 L58 I108 A110 I444 I453 K454L54-I446 HydrophobicContact CD2-CD1 3.32Å; L54-I446 HydrophobicContact CG-CD1 3.82Å; L58-I446 HydrophobicContact CD1-CD1 3.45Å; L58-I446 VanDerWaalsContact CD1-CD1 3.45Å; L58-I446 HydrophobicContact CD1-CG1 4.03Å; I108-I446 HydrophobicContact CB-CG1 4.28Å; I108-I446 HydrophobicContact CG2-CD1 3.98Å; I108-I446 HydrophobicContact CG2-CG1 3.98Å; I108-I446 WeakPolarHBondContact O-CG1 3.48Å; I108-I446 PolarHBondContact O-N 2.86Å; A110-I446 HydrophobicContact CB-CD1 3.79Å; A110-I446 HydrophobicContact CB-CG1 4.38Å; I444-I446 HydrophobicContact CG1-CG2 4.07Å; I444-I446 PolarHBondContact O-N 3.04Å; I446-I453 PolarHBondContact O-N 3.39Å; I446-K454 HydrophobicContact CG2-CB 4.37Å; I446-K454 PolarHBondContact O-N 2.82Å
447Y98.8Very high97.3Very high0 Ų058.8 Ų58.80%030%0.301CS..EExtended strand (participates in β ladder)trans-149.4141.4179170.2-76.2000109.8L62 V63 I106 I107 I108 G450 I451L62-Y447 HydrophobicContact CB-CE2 3.76Å; L62-Y447 VanDerWaalsContact O-CE2 3.29Å; L62-Y447 WeakPolarHBondContact O-CE2 3.18Å; L62-Y447 PolarHBondContact O-OH 3.06Å; V63-Y447 HydrophobicContact CG2-CD2 4.06Å; V63-Y447 HydrophobicContact CG2-CE2 4.04Å; I106-Y447 HydrophobicContact CD1-CD1 4.34Å; I106-Y447 HydrophobicContact CD1-CE1 3.82Å; I106-Y447 HydrophobicContact CG1-CD1 3.94Å; I106-Y447 HydrophobicContact CG1-CE1 3.35Å; I107-Y447 WeakPolarHBondContact CA-O 3.36Å; I108-Y447 HydrophobicContact CD1-CD1 4.33Å; I108-Y447 HydrophobicContact CG1-CD1 4.28Å; I108-Y447 PolarHBondContact N-O 3.37Å; I108-Y447 PolarHBondContact O-N 2.81Å; Y447-G450 VanDerWaalsContact CZ-CA 3.4Å; Y447-G450 WeakPolarHBondContact OH-CA 3.47Å; Y447-G450 PolarHBondContact OH-N 3.26Å; Y447-I451 VanDerWaalsContact CA-O 3.31Å; Y447-I451 WeakPolarHBondContact CA-O 3.39Å
448K98.8Very high97.5Very high104 Ų10457 Ų5745%0.45229%0.289SS..EExtended strand (participates in β ladder)trans-151.1129.5171.9-173.6-179.8-179.5-175.60110I106 I107 G450 I451 I453I106-K448 CarbonylContact O-C 3.56Å; I106-K448 WeakPolarHBondContact O-CA 3.47Å; I107-K448 HydrophobicContact CB-CG 4.46Å; I107-K448 HydrophobicContact CD1-CD 4.45Å; K448-G450 PolarHBondContact O-N 2.76Å; K448-I451 PolarHBondContact N-O 2.72Å; K448-I451 WeakPolarHBondContact O-CB 3.46Å; K448-I451 PolarHBondContact O-N 2.83Å; K448-I453 HydrophobicContact CB-CD1 3.62Å; K448-I453 HydrophobicContact CB-CG1 4.36Å
449N98.7Very high97.8Very high59 Ų5956.3 Ų56.332%0.31628%0.279SS..THydrogen-bonded Turntrans50.752.2170.2-60.7-3.1000113.5L104 I106 T129 I451L104-N449 VanDerWaalsContact O-CA 3.26Å; L104-N449 WeakPolarHBondContact O-CA 3.35Å; I106-N449 PolarHBondContact O-N 2.89Å; T129-N449 WeakPolarHBondContact CB-OD1 3.26Å; T129-N449 WeakPolarHBondContact CG2-OD1 3.49Å; T129-N449 PolarHBondContact OG1-OD1 3.15Å; N449-I451 PolarHBondContact O-N 2.98Å
450G98.4Very high98.1Very high0 Ų049.5 Ų49.50%026%0.255CS..THydrogen-bonded Turntrans76.1-1-178.800000116.1V63 G64 L104 Y447 K448V63-G450 WeakPolarHBondContact CA-O 3.29Å; G64-G450 PolarHBondContact N-O 3.21Å; L104-G450 PolarHBondContact O-N 3.49Å; Y447-G450 VanDerWaalsContact CZ-CA 3.4Å; Y447-G450 WeakPolarHBondContact OH-CA 3.47Å; Y447-G450 PolarHBondContact OH-N 3.26Å; K448-G450 PolarHBondContact O-N 2.76Å
451I98.7Very high98.3Very high97 Ų9745.2 Ų45.250%0.49723%0.232SC..EExtended strand (participates in β ladder)trans-109.4131.7-179.6-52.7-59.4000110.6Y103 Y447 K448 N449 I453Y103-I451 HydrophobicContact CD1-CD1 4.42Å; Y103-I451 HydrophobicContact CE1-CD1 4.17Å; Y447-I451 VanDerWaalsContact CA-O 3.31Å; Y447-I451 WeakPolarHBondContact CA-O 3.39Å; K448-I451 PolarHBondContact N-O 2.72Å; K448-I451 WeakPolarHBondContact O-CB 3.46Å; K448-I451 PolarHBondContact O-N 2.83Å; N449-I451 PolarHBondContact O-N 2.98Å; I451-I453 PolarHBondContact O-N 3.22Å
452L98.5Very high98.3Very high35 Ų3544.9 Ų44.918%0.18323%0.229CC..EExtended strand (participates in β ladder)trans-75.4117.3168.6-169.272.9000109.1L58 K59 V63 K454 D455L58-L452 HydrophobicContact CB-CD1 4.29Å; L58-L452 HydrophobicContact CD1-CD1 4.15Å; K59-L452 HydrophobicContact CD-CD2 4.27Å; K59-L452 HydrophobicContact CG-CD2 3.95Å; V63-L452 HydrophobicContact CG2-CB 3.93Å; L452-K454 WeakPolarHBondContact CG-O 3.23Å; L452-D455 HydrophobicContact CD2-CB 3.9Å
453I98.4Very high98.3Very high91 Ų9143.3 Ų43.347%0.46723%0.227SC..SBendtrans-82.6-38.7179.8-63.4172.4000110.7P445 I446 K448 I451P445-I453 HydrophobicContact CB-CD1 3.8Å; I446-I453 PolarHBondContact O-N 3.39Å; K448-I453 HydrophobicContact CB-CD1 3.62Å; K448-I453 HydrophobicContact CB-CG1 4.36Å; I451-I453 PolarHBondContact O-N 3.22Å
454K97.4Very high98.3Very high69 Ų6945.7 Ų45.730%0.324%0.236SC..  trans-125.4121.1-178.9-173.759.9-178.5163.40110.3I444 I446 L452 Y456 E460I444-K454 HydrophobicContact CD1-CG 4.46Å; I446-K454 HydrophobicContact CG2-CB 4.37Å; I446-K454 PolarHBondContact O-N 2.82Å; L452-K454 WeakPolarHBondContact CG-O 3.23Å; K454-Y456 HydrophobicContact CB-CE2 4.49Å; K454-Y456 HydrophobicContact CD-CD1 4.47Å; K454-Y456 HydrophobicContact CD-CE1 4.12Å; K454-Y456 HydrophobicContact CG-CD1 4.07Å; K454-Y456 HydrophobicContact CG-CD2 4.27Å; K454-Y456 HydrophobicContact CG-CE1 3.56Å; K454-Y456 HydrophobicContact CG-CE2 3.79Å; K454-Y456 HydrophobicContact CG-CG 4.4Å; K454-E460 IonicContact NZ-OE1 3.22Å
455D97.9Very high98.3Very high63 Ų6343 Ų4334%0.33722%0.222SC..  trans-110.3109.8173.1-166.5-7.8000108.9Q55 K59 N223 L452Q55-D455 PolarHBondContact NE2-OD1 3.12Å; Q55-D455 PolarHBondContact OE1-OD1 2.98Å; K59-D455 WeakPolarHBondContact CE-OD1 3.4Å; K59-D455 WeakPolarHBondContact CE-OD2 3.23Å; K59-D455 IonicContact NZ-OD1 3Å; K59-D455 PolarHBondContact NZ-OD1 3.18Å; K59-D455 IonicContact NZ-OD2 3.9Å; K59-D455 PolarHBondContact NZ-OD2 3.34Å; N223-D455 PolarHBondContact ND2-OD2 3.42Å; L452-D455 HydrophobicContact CD2-CB 3.9Å
456Y98.2Very high98.2Very high7 Ų746.2 Ų46.23%0.02723%0.232CC..  trans-87.6138.3178.9-62.9-69.5000111.6Q55 P112 E113 I444 K454 E460Q55-Y456 PolarHBondContact NE2-O 3.42Å; P112-Y456 WeakPolarHBondContact CA-OH 3.31Å; P112-Y456 HydrophobicContact CB-CE1 4.23Å; P112-Y456 WeakPolarHBondContact CB-OH 3.44Å; E113-Y456 HydrophobicContact CB-CD2 4.44Å; E113-Y456 HydrophobicContact CG-CD2 4.4Å; I444-Y456 WeakPolarHBondContact CD1-OH 3.49Å; K454-Y456 HydrophobicContact CB-CE2 4.49Å; K454-Y456 HydrophobicContact CD-CD1 4.47Å; K454-Y456 HydrophobicContact CD-CE1 4.12Å; K454-Y456 HydrophobicContact CG-CD1 4.07Å; K454-Y456 HydrophobicContact CG-CD2 4.27Å; K454-Y456 HydrophobicContact CG-CE1 3.56Å; K454-Y456 HydrophobicContact CG-CE2 3.79Å; K454-Y456 HydrophobicContact CG-CG 4.4Å; Y456-E460 VanDerWaalsContact CA-OE2 3.27Å; Y456-E460 WeakPolarHBondContact CA-OE2 3.37Å
457T98.6Very high98Very high41 Ų4154.1 Ų54.125%0.25227%0.267SS..  trans-82.6156.4164.975.40000110.9Y222 N223 D459 E460 I461Y222-T457 CarbonylContact O-C 3.51Å; Y222-T457 VanDerWaalsContact O-CA 3.25Å; Y222-T457 WeakPolarHBondContact O-CA 3.48Å; N223-T457 HydrophobicContact CB-CG2 4.25Å; T457-D459 PolarHBondContact O-N 2.9Å; T457-D459 PolarHBondContact OG1-N 3.47Å; T457-E460 PolarHBondContact N-OE2 3.31Å; T457-E460 PolarHBondContact O-N 3.23Å; T457-E460 WeakPolarHBondContact OG1-CG 3.49Å; T457-E460 PolarHBondContact OG1-N 2.91Å; T457-I461 WeakPolarHBondContact O-CG1 3.44Å; T457-I461 PolarHBondContact O-N 2.9Å
458L98.7Very high97.8Very high0 Ų057.3 Ų57.30%028%0.279CS..Hα-helixtrans-60.9-32.7173.7-171.962.2000111.4F52 V204 A218 Y222 C224 A227 I461 R462F52-L458 HydrophobicContact CE2-CD1 4.41Å; V204-L458 HydrophobicContact CG2-CD1 4.28Å; A218-L458 HydrophobicContact CB-CD2 4.21Å; Y222-L458 PolarHBondContact O-N 3.02Å; C224-L458 HydrophobicContact CB-CB 3.68Å; C224-L458 HydrophobicContact CB-CD2 4.15Å; A227-L458 HydrophobicContact CB-CD2 3.49Å; A227-L458 VanDerWaalsContact CB-CD2 3.49Å; L458-I461 WeakPolarHBondContact O-CB 3.38Å; L458-I461 PolarHBondContact O-N 3.38Å; L458-R462 WeakPolarHBondContact O-CB 3.37Å; L458-R462 WeakPolarHBondContact O-CG 3.44Å; L458-R462 PolarHBondContact O-N 3.07Å
459D98.3Very high97.5Very high94 Ų9456.8 Ų56.850%0.50329%0.286SS..Hα-helixtrans-69.6-38.3178.8-64.1-25.4000112T457 I461 R462 G463T457-D459 PolarHBondContact O-N 2.9Å; T457-D459 PolarHBondContact OG1-N 3.47Å; D459-I461 VanDerWaalsContact C-N 3.27Å; D459-I461 PolarHBondContact O-N 3.1Å; D459-R462 PolarHBondContact O-N 3.05Å; D459-G463 PolarHBondContact O-N 3.38Å
460E98.4Very high97.2Very high77 Ų7755.8 Ų55.836%0.3628%0.281SS..Hα-helixtrans-61.7-37.6171.6-75.117913200111.6K454 Y456 T457 R464K454-E460 IonicContact NZ-OE1 3.22Å; Y456-E460 VanDerWaalsContact CA-OE2 3.27Å; Y456-E460 WeakPolarHBondContact CA-OE2 3.37Å; T457-E460 PolarHBondContact N-OE2 3.31Å; T457-E460 PolarHBondContact O-N 3.23Å; T457-E460 WeakPolarHBondContact OG1-CG 3.49Å; T457-E460 PolarHBondContact OG1-N 2.91Å; E460-R464 WeakPolarHBondContact O-CB 3.25Å; E460-R464 PolarHBondContact O-N 3Å; E460-R464 VanDerWaalsContact O-N 3.17Å; E460-R464 PolarHBondContact O-NH1 2.92Å
461I98.7Very high96.1Very high0 Ų060 Ų600%030%0.3CS..Hα-helixtrans-69-46.3178.2-66.2170.4000110.3F52 E113 V204 Y222 T457 L458 D459 R464 I465F52-I461 HydrophobicContact CD2-CD1 4.1Å; F52-I461 HydrophobicContact CD2-CG2 4.02Å; F52-I461 HydrophobicContact CE2-CD1 3.85Å; F52-I461 HydrophobicContact CE2-CG2 4.34Å; E113-I461 HydrophobicContact CB-CD1 3.8Å; E113-I461 HydrophobicContact CB-CG1 3.91Å; V204-I461 HydrophobicContact CG1-CG2 4.1Å; V204-I461 HydrophobicContact CG2-CG2 4.17Å; Y222-I461 HydrophobicContact CD1-CD1 3.55Å; Y222-I461 HydrophobicContact CE1-CD1 3.61Å; T457-I461 WeakPolarHBondContact O-CG1 3.44Å; T457-I461 PolarHBondContact O-N 2.9Å; L458-I461 WeakPolarHBondContact O-CB 3.38Å; L458-I461 PolarHBondContact O-N 3.38Å; D459-I461 VanDerWaalsContact C-N 3.27Å; D459-I461 PolarHBondContact O-N 3.1Å; I461-R464 WeakPolarHBondContact O-CB 3.12Å; I461-R464 PolarHBondContact O-N 2.93Å; I461-I465 PolarHBondContact O-N 3.38Å
462R98.3Very high94.2Very high18 Ų1866.1 Ų66.17%0.06833%0.334CS..Hα-helixtrans-59.7-50.8175.3-78.3173.8167167.3-8.2111.9L203 F206 A227 L458 D459 R464 I465 E466L203-R462 PolarHBondContact O-NE 2.8Å; L203-R462 PolarHBondContact O-NH2 3.31Å; F206-R462 PolarHBondContact O-NH2 2.92Å; F206-R462 VanDerWaalsContact O-NH2 3.12Å; A227-R462 PolarHBondContact O-NH1 2.55Å; A227-R462 PolarHBondContact O-NH2 3.3Å; L458-R462 WeakPolarHBondContact O-CB 3.37Å; L458-R462 WeakPolarHBondContact O-CG 3.44Å; L458-R462 PolarHBondContact O-N 3.07Å; D459-R462 PolarHBondContact O-N 3.05Å; R462-R464 PolarHBondContact O-N 2.92Å; R462-R464 VanDerWaalsContact O-N 3.08Å; R462-I465 VanDerWaalsContact O-CG2 3.29Å; R462-I465 WeakPolarHBondContact O-CG2 3.34Å; R462-I465 PolarHBondContact O-N 3.42Å; R462-I465 VanDerWaalsContact O-N 3.12Å; R462-E466 WeakPolarHBondContact O-CB 3.43Å; R462-E466 VanDerWaalsContact O-CG 3.28Å; R462-E466 WeakPolarHBondContact O-CG 3.5Å; R462-E466 PolarHBondContact O-N 3.43Å
463G98.1Very high94Very high28 Ų2867.7 Ų67.729%0.28934%0.342SS..Hα-helixtrans-62.7-19.4177.400000113.6D459 K467D459-G463 PolarHBondContact O-N 3.38Å; G463-K467 WeakPolarHBondContact O-CD 3.3Å; G463-K467 VanDerWaalsContact O-CE 3.25Å; G463-K467 WeakPolarHBondContact O-CE 3.3Å; G463-K467 WeakPolarHBondContact O-CG 3.49Å
464R97.7Very high93.8Very high55 Ų5566.5 Ų66.521%0.20834%0.335CS..Hα-helixtrans-81-48.1171.8-170.4177-6594.23.3111.9E113 T115 E460 I461 R462 E466 K467 Y468E113-R464 WeakPolarHBondContact O-CD 3.41Å; E113-R464 PolarHBondContact O-NH1 3.25Å; T115-R464 WeakPolarHBondContact OG1-CD 3.19Å; E460-R464 WeakPolarHBondContact O-CB 3.25Å; E460-R464 PolarHBondContact O-N 3Å; E460-R464 VanDerWaalsContact O-N 3.17Å; E460-R464 PolarHBondContact O-NH1 2.92Å; I461-R464 WeakPolarHBondContact O-CB 3.12Å; I461-R464 PolarHBondContact O-N 2.93Å; R462-R464 PolarHBondContact O-N 2.92Å; R462-R464 VanDerWaalsContact O-N 3.08Å; R464-E466 VanDerWaalsContact C-N 3.3Å; R464-E466 PolarHBondContact O-N 2.98Å; R464-K467 PolarHBondContact O-N 2.82Å; R464-Y468 WeakPolarHBondContact O-CD2 3.46Å; R464-Y468 WeakPolarHBondContact O-CE2 3.46Å
465I97.6Very high93.6Very high3 Ų366.3 Ų66.32%0.01534%0.337CS..Hα-helixtrans-70.6-27.2-176.9-167.553.4000112.7V50 G114 L116 R158 V204 I461 R462 K467 Y468V50-I465 HydrophobicContact CG1-CD1 3.99Å; V50-I465 HydrophobicContact CG1-CG1 4.19Å; V50-I465 HydrophobicContact CG2-CD1 3.87Å; V50-I465 HydrophobicContact CG2-CG1 4.48Å; G114-I465 WeakPolarHBondContact O-CA 3.42Å; G114-I465 WeakPolarHBondContact O-CB 3.46Å; G114-I465 PolarHBondContact O-N 3.39Å; L116-I465 HydrophobicContact CB-CD1 4.17Å; R158-I465 PolarHBondContact NH1-O 3.12Å; R158-I465 VanDerWaalsContact NH1-O 3.13Å; V204-I465 HydrophobicContact CG1-CB 4.39Å; V204-I465 HydrophobicContact CG1-CG2 3.83Å; I461-I465 PolarHBondContact O-N 3.38Å; R462-I465 VanDerWaalsContact O-CG2 3.29Å; R462-I465 WeakPolarHBondContact O-CG2 3.34Å; R462-I465 PolarHBondContact O-N 3.42Å; R462-I465 VanDerWaalsContact O-N 3.12Å; I465-K467 VanDerWaalsContact C-N 3.26Å; I465-K467 PolarHBondContact O-N 2.98Å; I465-Y468 HydrophobicContact CD1-CD2 4.04Å; I465-Y468 PolarHBondContact O-N 3.2Å
466E95.8Very high93.3Very high121 Ų12166.5 Ų66.557%0.56534%0.337SS*.THydrogen-bonded Turntrans-67.4-22.8175.5-75.9170.8179.300113.6R462 R464 Y468R462-E466 WeakPolarHBondContact O-CB 3.43Å; R462-E466 VanDerWaalsContact O-CG 3.28Å; R462-E466 WeakPolarHBondContact O-CG 3.5Å; R462-E466 PolarHBondContact O-N 3.43Å; R464-E466 VanDerWaalsContact C-N 3.3Å; R464-E466 PolarHBondContact O-N 2.98Å; E466-Y468 PolarHBondContact O-N 3.06Å
467K95.1Very high93Very high175 Ų17570.3 Ų70.376%0.76136%0.357SS*.THydrogen-bonded Turntrans-73.2-15.4176.9-68.1170.4-176.9175.80113.2G463 R464 I465G463-K467 WeakPolarHBondContact O-CD 3.3Å; G463-K467 VanDerWaalsContact O-CE 3.25Å; G463-K467 WeakPolarHBondContact O-CE 3.3Å; G463-K467 WeakPolarHBondContact O-CG 3.49Å; R464-K467 PolarHBondContact O-N 2.82Å; I465-K467 VanDerWaalsContact C-N 3.26Å; I465-K467 PolarHBondContact O-N 2.98Å
468Y94.3Very high92.6Very high67 Ų6772.2 Ų72.226%0.26336%0.364SS..SBendtrans-89.1128.5176.5-63.5-87.9000109.3T115 L116 R158 R464 I465 E466T115-Y468 VanDerWaalsContact CG2-OH 3.25Å; T115-Y468 WeakPolarHBondContact CG2-OH 3.47Å; L116-Y468 HydrophobicContact CB-CD1 3.66Å; L116-Y468 HydrophobicContact CB-CD2 3.94Å; L116-Y468 HydrophobicContact CB-CE1 3.75Å; L116-Y468 HydrophobicContact CB-CE2 4.02Å; L116-Y468 HydrophobicContact CB-CG 3.74Å; L116-Y468 HydrophobicContact CD2-CD1 4.06Å; L116-Y468 HydrophobicContact CD2-CG 4.17Å; L116-Y468 HydrophobicContact CG-CD1 4.47Å; R158-Y468 VanDerWaalsContact NH2-C 3.33Å; R158-Y468 VanDerWaalsContact NH2-CB 3.29Å; R158-Y468 PolarHBondContact NH2-O 3.5Å; R464-Y468 WeakPolarHBondContact O-CD2 3.46Å; R464-Y468 WeakPolarHBondContact O-CE2 3.46Å; I465-Y468 HydrophobicContact CD1-CD2 4.04Å; I465-Y468 PolarHBondContact O-N 3.2Å; E466-Y468 PolarHBondContact O-N 3.06Å
469P92Very high92.2Very high93 Ų9377.4 Ų77.460%0.60439%0.39SS*.  trans-62.2145.4-179.529.6-36.2000110.9R158 E471R158-P469 PolarHBondContact NH2-O 3.27Å; P469-E471 WeakPolarHBondContact CB-O 3.28Å
470L91.9Very high91.7Very high38 Ų3876.1 Ų76.120%0.19938%0.381CS..SBendtrans-87.6-16.1177.7-71.2167.9000112.1R158 K161 Q162 V165R158-L470 HydrophobicContact CG-CD2 4.21Å; K161-L470 HydrophobicContact CB-CD2 4.45Å; K161-L470 HydrophobicContact CD-CD1 3.99Å; K161-L470 HydrophobicContact CD-CD2 4.23Å; K161-L470 HydrophobicContact CG-CD1 4.09Å; K161-L470 HydrophobicContact CG-CD2 4.3Å; Q162-L470 WeakPolarHBondContact CB-O 3.44Å; Q162-L470 HydrophobicContact CG-CB 4.27Å; Q162-L470 HydrophobicContact CG-CD2 3.87Å; Q162-L470 WeakPolarHBondContact CG-O 2.97Å; Q162-L470 PolarHBondContact NE2-O 3.14Å; V165-L470 HydrophobicContact CG1-CB 4.43Å; V165-L470 HydrophobicContact CG2-CB 4.43Å; V165-L470 HydrophobicContact CG2-CD1 3.77Å
471E76.5Confident91.2Very high88 Ų8876 Ų7641%0.41138%0.383SS..  trans-109.4149.3171.2-61.2179.9153.200108.3V165 H169 P469V165-E471 HydrophobicContact CG1-CG 4.28Å; H169-E471 IonicContact CE1-OE1 3.9Å; H169-E471 IonicContact CE1-OE2 3.57Å; H169-E471 PolarHBondContact CE1-OE2 2.81Å; H169-E471 IonicContact CG-OE1 2.65Å; H169-E471 IonicContact ND1-OE1 3.09Å; H169-E471 PolarHBondContact ND1-OE1 2.99Å; H169-E471 IonicContact ND1-OE2 2.88Å; H169-E471 PolarHBondContact ND1-OE2 3.04Å; H169-E471 VanDerWaalsContact ND1-OE2 3.1Å; P469-E471 WeakPolarHBondContact CB-O 3.28Å
472D58.3Low90.5Very high226 Ų22682.9 Ų82.9100%1.20942%0.417SS*.  trans-710178.9-76.1-29.7000112.7

Retrieved 472 of 472 residues in 1538.7 ms (Link to these results)

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