A0A096MMF3_PAPAN Loading...

3-hydroxy-3-methylglutaryl coenzyme A reductase

AlphaFold DB , UniProt , Accession A0A096MMF3, Species PAPAN (Papio anubis, Olive baboon), Gene HMGCR, Length 888 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
1M58.7Low80.5Confident215 Ų21596.5 Ų96.5100%1.05946%0.458SS*.  0-52.80-68.3174.484.100112.2S3 R4M1-S3 PolarHBondContact O-N 3.19Å; M1-R4 WeakPolarHBondContact O-CB 3.16Å; M1-R4 PolarHBondContact O-N 3.16Å
2L69.6Low81.1Confident105 Ų10598.3 Ų98.355%0.5546%0.463SS..Hα-helixtrans-43.5-53.1-172-140.475.9000116R4 L5 F6 P166L2-R4 PolarHBondContact O-N 3.08Å; L2-R4 VanDerWaalsContact O-N 3.08Å; L2-L5 WeakPolarHBondContact O-CB 2.87Å; L2-L5 PolarHBondContact O-N 3.46Å; L2-F6 HydrophobicContact CD2-CE2 3.92Å; L2-F6 HydrophobicContact CG-CD2 4.28Å; L2-F6 HydrophobicContact CG-CE2 3.89Å; L2-F6 PolarHBondContact O-N 3.24Å; L2-P166 HydrophobicContact CD2-CB 4.25Å; L2-P166 HydrophobicContact CD2-CG 4.49Å
3S74.9Confident81.7Confident62 Ų6290.8 Ų90.843%0.43443%0.429SS..Hα-helixtrans-58.4-23.6179.1-57.70000115M1 R7 A162M1-S3 PolarHBondContact O-N 3.19Å; S3-R7 WeakPolarHBondContact O-CB 3.23Å; S3-R7 PolarHBondContact O-N 3.05Å; S3-A162 WeakPolarHBondContact CB-O 3.45Å; S3-A162 PolarHBondContact OG-O 3.43Å; S3-A162 VanDerWaalsContact OG-O 3.08Å
4R79.9Confident81.9Confident190 Ų19084.4 Ų84.472%0.71740%0.398SS*.Hα-helixtrans-72.2-34.6173.5-173.4176.8176.4177.4-0.4111.4M1 L2 M8M1-R4 WeakPolarHBondContact O-CB 3.16Å; M1-R4 PolarHBondContact O-N 3.16Å; L2-R4 PolarHBondContact O-N 3.08Å; L2-R4 VanDerWaalsContact O-N 3.08Å; R4-M8 VanDerWaalsContact O-CG 3.32Å; R4-M8 WeakPolarHBondContact O-CG 3.41Å; R4-M8 PolarHBondContact O-N 2.79Å; R4-M8 VanDerWaalsContact O-N 3.1Å
5L84.8Confident82.1Confident102 Ų10281.5 Ų81.553%0.53439%0.391SS..Hα-helixtrans-67.8-47.2174.2-60.3167.4000110.1L2 R7 M8 H9L2-L5 WeakPolarHBondContact O-CB 2.87Å; L2-L5 PolarHBondContact O-N 3.46Å; L5-R7 VanDerWaalsContact C-N 3.32Å; L5-R7 PolarHBondContact O-N 2.62Å; L5-M8 HydrophobicContact CD2-CE 3.87Å; L5-M8 PolarHBondContact O-N 2.77Å; L5-H9 WeakPolarHBondContact O-CB 3.49Å; L5-H9 PolarHBondContact O-N 2.75Å
6F86.4Confident82.4Confident27 Ų2781.4 Ų81.412%0.11839%0.39CS..Hα-helixtrans-61.6-35.2175.2-75.9-77.6000113.4L2 G10 M161 P166 T169 M209L2-F6 HydrophobicContact CD2-CE2 3.92Å; L2-F6 HydrophobicContact CG-CD2 4.28Å; L2-F6 HydrophobicContact CG-CE2 3.89Å; L2-F6 PolarHBondContact O-N 3.24Å; F6-G10 PolarHBondContact O-N 3.34Å; F6-M161 WeakPolarHBondContact CB-O 3.26Å; F6-P166 HydrophobicContact CD2-CG 3.69Å; F6-P166 HydrophobicContact CE2-CB 4.41Å; F6-P166 HydrophobicContact CE2-CG 3.9Å; F6-P166 HydrophobicContact CG-CG 4.46Å; F6-T169 VanDerWaalsContact CZ-OG1 3.25Å; F6-T169 WeakPolarHBondContact CZ-OG1 3.45Å; F6-M209 HydrophobicContact CE1-CE 4.46Å; F6-M209 HydrophobicContact CE1-SD 4.41Å
7R85.1Confident82.6Confident125 Ų12576.9 Ų76.947%0.47237%0.369SS..Hα-helixtrans-63.8-47.5172.3-165.1169.6171.5-162.7-6.6112.1S3 L5 G10 L11 E155 A158 A162S3-R7 WeakPolarHBondContact O-CB 3.23Å; S3-R7 PolarHBondContact O-N 3.05Å; L5-R7 VanDerWaalsContact C-N 3.32Å; L5-R7 PolarHBondContact O-N 2.62Å; R7-G10 PolarHBondContact O-N 3.08Å; R7-L11 WeakPolarHBondContact O-CB 3.3Å; R7-L11 PolarHBondContact O-N 2.78Å; R7-E155 IonicContact CZ-OE1 3.52Å; R7-E155 IonicContact NE-OE1 3.49Å; R7-E155 PolarHBondContact NE-OE1 3.46Å; R7-E155 IonicContact NH2-OE1 3.51Å; R7-E155 PolarHBondContact NH2-OE1 3.38Å; R7-E155 IonicContact NH2-OE2 3.34Å; R7-A158 HydrophobicContact CG-CB 4.06Å; R7-A162 HydrophobicContact CB-CB 3.82Å; R7-A162 HydrophobicContact CG-CB 4.3Å
8M86.1Confident82.5Confident100 Ų10081 Ų8149%0.49338%0.38SS..Hα-helixtrans-65.6-39.2179.3-67.4-177.3-45.100111.9R4 L5 L11 F12R4-M8 VanDerWaalsContact O-CG 3.32Å; R4-M8 WeakPolarHBondContact O-CG 3.41Å; R4-M8 PolarHBondContact O-N 2.79Å; R4-M8 VanDerWaalsContact O-N 3.1Å; L5-M8 HydrophobicContact CD2-CE 3.87Å; L5-M8 PolarHBondContact O-N 2.77Å; M8-L11 PolarHBondContact O-N 2.83Å; M8-F12 WeakPolarHBondContact O-CB 3.28Å; M8-F12 PolarHBondContact O-N 2.96Å
9H87.5Confident82.8Confident67 Ų6782.6 Ų82.631%0.3139%0.387SS..Hα-helixtrans-63.8-49.3173.9-179.777.1000111.9L5 L11 F12 V13 M209L5-H9 WeakPolarHBondContact O-CB 3.49Å; L5-H9 PolarHBondContact O-N 2.75Å; H9-L11 VanDerWaalsContact C-N 3.31Å; H9-L11 PolarHBondContact O-N 3.43Å; H9-F12 PolarHBondContact O-N 3.26Å; H9-V13 WeakPolarHBondContact O-CB 3.48Å; H9-V13 WeakPolarHBondContact O-CG2 3.46Å; H9-V13 PolarHBondContact O-N 3.35Å; H9-M209 PolarHBondContact NE2-O 3.45Å
10G85.2Confident82.9Confident0 Ų079.3 Ų79.30%037%0.373CS..Hα-helixtrans-60.4-38.3176.500000113.1F6 R7 A14F6-G10 PolarHBondContact O-N 3.34Å; R7-G10 PolarHBondContact O-N 3.08Å; G10-A14 VanDerWaalsContact O-CB 3.26Å; G10-A14 WeakPolarHBondContact O-CB 3.26Å; G10-A14 PolarHBondContact O-N 2.89Å
11L87.3Confident82.9Confident68 Ų6876.8 Ų76.836%0.35636%0.362SS..Hα-helixtrans-67.7-41.9175.3-173.165000112.2R7 M8 H9 A14 S15 R154 A158R7-L11 WeakPolarHBondContact O-CB 3.3Å; R7-L11 PolarHBondContact O-N 2.78Å; M8-L11 PolarHBondContact O-N 2.83Å; H9-L11 VanDerWaalsContact C-N 3.31Å; H9-L11 PolarHBondContact O-N 3.43Å; L11-A14 PolarHBondContact O-N 2.89Å; L11-S15 VanDerWaalsContact O-CB 3.27Å; L11-S15 WeakPolarHBondContact O-CB 3.2Å; L11-S15 PolarHBondContact O-N 3.46Å; L11-S15 PolarHBondContact O-OG 3.3Å; L11-R154 HydrophobicContact CD1-CB 4.48Å; L11-A158 HydrophobicContact CB-CB 3.83Å; L11-A158 HydrophobicContact CD1-CB 4.31Å
12F88.2Confident84.1Confident118 Ų11870.3 Ų70.352%0.51833%0.334SS..Hα-helixtrans-59.6-51174173.3-103.6000111.2M8 H9 A14 S15 H16 V20M8-F12 WeakPolarHBondContact O-CB 3.28Å; M8-F12 PolarHBondContact O-N 2.96Å; H9-F12 PolarHBondContact O-N 3.26Å; F12-A14 VanDerWaalsContact C-N 3.34Å; F12-A14 PolarHBondContact O-N 2.96Å; F12-S15 PolarHBondContact O-N 2.89Å; F12-S15 PolarHBondContact O-OG 3.43Å; F12-S15 VanDerWaalsContact O-OG 3.04Å; F12-H16 PolarHBondContact O-N 3.47Å; F12-H16 VanDerWaalsContact O-N 3.07Å; F12-V20 HydrophobicContact CD1-CG2 4.47Å; F12-V20 HydrophobicContact CE1-CG2 3.93Å
13V88.6Confident84.6Confident2 Ų267.1 Ų67.11%0.01233%0.327CS..Hα-helixtrans-61.9-37.5179.3171.50000112.8H9 V20 T210 P213 A214H9-V13 WeakPolarHBondContact O-CB 3.48Å; H9-V13 WeakPolarHBondContact O-CG2 3.46Å; H9-V13 PolarHBondContact O-N 3.35Å; V13-V20 HydrophobicContact CG1-CG1 4.44Å; V13-T210 WeakPolarHBondContact CG1-O 3.43Å; V13-P213 HydrophobicContact CG1-CB 3.8Å; V13-P213 HydrophobicContact CG1-CG 4.24Å; V13-A214 HydrophobicContact CG1-CB 3.88Å
14A84.6Confident84.7Confident0 Ų064.9 Ų64.90%031%0.311CS..Hα-helixtrans-80.7-20.817900000114.2G10 L11 F12 R154 I157 S217G10-A14 VanDerWaalsContact O-CB 3.26Å; G10-A14 WeakPolarHBondContact O-CB 3.26Å; G10-A14 PolarHBondContact O-N 2.89Å; L11-A14 PolarHBondContact O-N 2.89Å; F12-A14 VanDerWaalsContact C-N 3.34Å; F12-A14 PolarHBondContact O-N 2.96Å; A14-R154 HydrophobicContact CB-CB 4.23Å; A14-R154 HydrophobicContact CB-CG 4.3Å; A14-R154 PolarHBondContact O-NE 2.9Å; A14-I157 HydrophobicContact CB-CB 4.19Å; A14-I157 HydrophobicContact CB-CD1 4.33Å; A14-I157 HydrophobicContact CB-CG2 4Å; A14-S217 PolarHBondContact O-OG 2.72Å
15S85.3Confident84.6Confident42 Ų4258.8 Ų58.829%0.29429%0.294SS..Hα-helixtrans-90.1-29.9179.452.30000114L11 F12 P17L11-S15 VanDerWaalsContact O-CB 3.27Å; L11-S15 WeakPolarHBondContact O-CB 3.2Å; L11-S15 PolarHBondContact O-N 3.46Å; L11-S15 PolarHBondContact O-OG 3.3Å; F12-S15 PolarHBondContact O-N 2.89Å; F12-S15 PolarHBondContact O-OG 3.43Å; F12-S15 VanDerWaalsContact O-OG 3.04Å; S15-P17 VanDerWaalsContact O-CD 3.31Å; S15-P17 WeakPolarHBondContact O-CD 3.43Å
16H86.9Confident84.3Confident80 Ų8057.4 Ų57.437%0.3729%0.29SS..SBendtrans-120.859.3-179.7-60.378.7000111F12 W18 E19 V20F12-H16 PolarHBondContact O-N 3.47Å; F12-H16 VanDerWaalsContact O-N 3.07Å; H16-W18 PolarHBondContact O-N 2.98Å; H16-E19 VanDerWaalsContact CA-OE2 3.27Å; H16-E19 WeakPolarHBondContact CA-OE2 3.33Å; H16-E19 HydrophobicContact CB-CB 4.27Å; H16-E19 HydrophobicContact CB-CG 4.47Å; H16-E19 WeakPolarHBondContact CB-OE2 3.41Å; H16-E19 IonicContact CD2-OE1 2.75Å; H16-V20 WeakPolarHBondContact O-CG2 3.44Å; H16-V20 PolarHBondContact O-N 3.13Å; H16-V20 VanDerWaalsContact O-N 3.12Å
17P84.6Confident83.8Confident5 Ų559.9 Ų59.93%0.03230%0.304CS..Hα-helixtrans-70.1-35.3-16929.3-35.8000112.5S15 I21 A214 L218S15-P17 VanDerWaalsContact O-CD 3.31Å; S15-P17 WeakPolarHBondContact O-CD 3.43Å; P17-I21 VanDerWaalsContact O-CB 3.28Å; P17-I21 WeakPolarHBondContact O-CB 3.37Å; P17-I21 WeakPolarHBondContact O-CD1 3.35Å; P17-I21 WeakPolarHBondContact O-CG1 3.35Å; P17-I21 PolarHBondContact O-N 2.98Å; P17-A214 HydrophobicContact CB-CB 4.08Å; P17-A214 WeakPolarHBondContact CB-O 3.48Å; P17-L218 HydrophobicContact CB-CB 4.1Å; P17-L218 HydrophobicContact CG-CB 4.41Å
18W82.2Confident83.1Confident150 Ų15054.9 Ų54.957%0.56829%0.287SS*.Hα-helixtrans-66.3-44.5178.6-76.1106.3000111.3H16 I21 V22 L218H16-W18 PolarHBondContact O-N 2.98Å; W18-I21 PolarHBondContact O-N 3.36Å; W18-V22 VanDerWaalsContact O-CB 3.32Å; W18-V22 WeakPolarHBondContact O-CB 3.48Å; W18-V22 VanDerWaalsContact O-CG2 3.28Å; W18-V22 WeakPolarHBondContact O-CG2 3.39Å; W18-V22 PolarHBondContact O-N 3.49Å; W18-L218 HydrophobicContact CD2-CD1 4.4Å; W18-L218 HydrophobicContact CD2-CD2 4.2Å; W18-L218 HydrophobicContact CE3-CD2 4.38Å; W18-L218 HydrophobicContact CH2-CD2 4.25Å; W18-L218 HydrophobicContact CZ2-CD1 3.79Å; W18-L218 HydrophobicContact CZ2-CD2 4.06Å; W18-L218 HydrophobicContact CZ3-CD2 4.4Å
19E87.6Confident82.4Confident111 Ų11154.7 Ų54.752%0.51929%0.287SS..Hα-helixtrans-65.5-39.8-179.9-59.290.115100111.5H16 G23H16-E19 VanDerWaalsContact CA-OE2 3.27Å; H16-E19 WeakPolarHBondContact CA-OE2 3.33Å; H16-E19 HydrophobicContact CB-CB 4.27Å; H16-E19 HydrophobicContact CB-CG 4.47Å; H16-E19 WeakPolarHBondContact CB-OE2 3.41Å; H16-E19 IonicContact CD2-OE1 2.75Å; E19-G23 WeakPolarHBondContact O-CA 3.29Å; E19-G23 PolarHBondContact O-N 2.76Å
20V85.4Confident81.5Confident17 Ų1754.5 Ų54.510%0.10329%0.293CS..Hα-helixtrans-71.4-41.4175.7171.90000111.8F12 V13 H16 T24 T210 A214F12-V20 HydrophobicContact CD1-CG2 4.47Å; F12-V20 HydrophobicContact CE1-CG2 3.93Å; V13-V20 HydrophobicContact CG1-CG1 4.44Å; H16-V20 WeakPolarHBondContact O-CG2 3.44Å; H16-V20 PolarHBondContact O-N 3.13Å; H16-V20 VanDerWaalsContact O-N 3.12Å; V20-T24 VanDerWaalsContact O-CB 3.26Å; V20-T24 WeakPolarHBondContact O-CB 3.42Å; V20-T24 PolarHBondContact O-N 3.01Å; V20-T24 PolarHBondContact O-OG1 2.79Å; V20-T210 WeakPolarHBondContact CG1-O 3.49Å; V20-A214 HydrophobicContact CB-CB 4.25Å; V20-A214 HydrophobicContact CG1-CB 4.06Å
21I82Confident80.6Confident26 Ų2656.7 Ų56.713%0.13330%0.304CS..Hα-helixtrans-63.9-52.7176.6-74.3165.5000110.4P17 W18 T24 V25 F211 A214 L218P17-I21 VanDerWaalsContact O-CB 3.28Å; P17-I21 WeakPolarHBondContact O-CB 3.37Å; P17-I21 WeakPolarHBondContact O-CD1 3.35Å; P17-I21 WeakPolarHBondContact O-CG1 3.35Å; P17-I21 PolarHBondContact O-N 2.98Å; W18-I21 PolarHBondContact O-N 3.36Å; I21-T24 PolarHBondContact O-N 2.87Å; I21-V25 WeakPolarHBondContact O-CG2 3.46Å; I21-V25 PolarHBondContact O-N 3.2Å; I21-F211 HydrophobicContact CB-CE2 4.18Å; I21-F211 HydrophobicContact CG1-CD2 4.36Å; I21-F211 HydrophobicContact CG1-CE2 3.99Å; I21-F211 HydrophobicContact CG1-CZ 4.38Å; I21-F211 HydrophobicContact CG2-CE2 3.93Å; I21-F211 HydrophobicContact CG2-CZ 4.31Å; I21-A214 HydrophobicContact CD1-CB 4.24Å; I21-A214 HydrophobicContact CG1-CB 3.99Å; I21-L218 HydrophobicContact CD1-CB 4.5Å; I21-L218 HydrophobicContact CD1-CD2 3.69Å
22V83.1Confident79.4Confident79 Ų7959.6 Ų59.648%0.47932%0.317SS..Hα-helixtrans-63.1-47.3178.8173.20000110.4W18 T24 V25 T26W18-V22 VanDerWaalsContact O-CB 3.32Å; W18-V22 WeakPolarHBondContact O-CB 3.48Å; W18-V22 VanDerWaalsContact O-CG2 3.28Å; W18-V22 WeakPolarHBondContact O-CG2 3.39Å; W18-V22 PolarHBondContact O-N 3.49Å; V22-T24 VanDerWaalsContact C-N 3.31Å; V22-T24 PolarHBondContact O-N 2.75Å; V22-V25 PolarHBondContact O-N 2.81Å; V22-T26 WeakPolarHBondContact O-CB 3.36Å; V22-T26 PolarHBondContact O-N 2.82Å; V22-T26 PolarHBondContact O-OG1 2.8Å; V22-T26 VanDerWaalsContact O-OG1 3.12Å
23G81.4Confident78Confident39 Ų3957 Ų5740%0.40231%0.313SS..Hα-helixtrans-58.2-40.117800000113.2E19 L27E19-G23 WeakPolarHBondContact O-CA 3.29Å; E19-G23 PolarHBondContact O-N 2.76Å; G23-L27 WeakPolarHBondContact O-CB 3.24Å; G23-L27 PolarHBondContact O-N 2.98Å
24T77.3Confident76.5Confident15 Ų1563 Ų639%0.09234%0.343CS..Hα-helixtrans-68.5-42.7176.6-57.40000111.9V20 I21 V22 T28 F206 F211V20-T24 VanDerWaalsContact O-CB 3.26Å; V20-T24 WeakPolarHBondContact O-CB 3.42Å; V20-T24 PolarHBondContact O-N 3.01Å; V20-T24 PolarHBondContact O-OG1 2.79Å; I21-T24 PolarHBondContact O-N 2.87Å; V22-T24 VanDerWaalsContact C-N 3.31Å; V22-T24 PolarHBondContact O-N 2.75Å; T24-T28 PolarHBondContact O-N 3.36Å; T24-T28 PolarHBondContact O-OG1 2.81Å; T24-F206 HydrophobicContact CG2-CE1 4.23Å; T24-F211 HydrophobicContact CG2-CD2 3.94Å
25V77.4Confident74.7Confident62 Ų6264.7 Ų64.738%0.37635%0.352SS..Hα-helixtrans-66.7-46.2177.3170.90000111I21 V22 T28 I29 F211I21-V25 WeakPolarHBondContact O-CG2 3.46Å; I21-V25 PolarHBondContact O-N 3.2Å; V22-V25 PolarHBondContact O-N 2.81Å; V25-T28 WeakPolarHBondContact O-CB 3.3Å; V25-T28 PolarHBondContact O-N 3.41Å; V25-I29 HydrophobicContact CG1-CD1 3.8Å; V25-I29 WeakPolarHBondContact O-CG1 3.2Å; V25-I29 PolarHBondContact O-N 2.93Å; V25-F211 HydrophobicContact CG2-CE2 4.31Å
26T78.4Confident72.8Confident72 Ų7270.2 Ų70.244%0.44238%0.375SS..Hα-helixtrans-61.5-44175.8-62.40000111.5V22 T28 I29 C30V22-T26 WeakPolarHBondContact O-CB 3.36Å; V22-T26 PolarHBondContact O-N 2.82Å; V22-T26 PolarHBondContact O-OG1 2.8Å; V22-T26 VanDerWaalsContact O-OG1 3.12Å; T26-T28 VanDerWaalsContact C-N 3.3Å; T26-T28 PolarHBondContact O-N 2.92Å; T26-I29 PolarHBondContact O-N 2.95Å; T26-C30 WeakPolarHBondContact O-CB 3.29Å; T26-C30 PolarHBondContact O-N 3.02Å; T26-C30 PolarHBondContact O-SG 2.84Å
27L76.1Confident70.6Confident80 Ų8075.6 Ų75.642%0.41940%0.398SS..Hα-helixtrans-57-44.7174.1178.264.2000111.5G23 C30 M31G23-L27 WeakPolarHBondContact O-CB 3.24Å; G23-L27 PolarHBondContact O-N 2.98Å; L27-C30 PolarHBondContact O-N 2.91Å; L27-M31 HydrophobicContact CD1-CG 4.31Å; L27-M31 HydrophobicContact CD1-SD 4.36Å; L27-M31 HydrophobicContact CG-SD 4.37Å; L27-M31 WeakPolarHBondContact O-CG 3.4Å; L27-M31 PolarHBondContact O-N 2.88Å
28T70.3Confident68.4Low19 Ų1979.8 Ų79.812%0.11742%0.423CS..Hα-helixtrans-61.8-45.3178.3-52.10000111.5T24 V25 T26 M31 M32 V105 F106 V109T24-T28 PolarHBondContact O-N 3.36Å; T24-T28 PolarHBondContact O-OG1 2.81Å; V25-T28 WeakPolarHBondContact O-CB 3.3Å; V25-T28 PolarHBondContact O-N 3.41Å; T26-T28 VanDerWaalsContact C-N 3.3Å; T26-T28 PolarHBondContact O-N 2.92Å; T28-M31 PolarHBondContact O-N 2.97Å; T28-M32 WeakPolarHBondContact O-CB 3.35Å; T28-M32 PolarHBondContact O-N 2.99Å; T28-V105 HydrophobicContact CG2-CG1 4.14Å; T28-F106 HydrophobicContact CG2-CD2 4.19Å; T28-V109 HydrophobicContact CG2-CG2 4.14Å
29I71.8Confident66.6Low96 Ų9676.1 Ų76.149%0.49243%0.432SS..Hα-helixtrans-65.4-40.5176.9-67.1166.5000111.2V25 T26 M32 S33V25-I29 HydrophobicContact CG1-CD1 3.8Å; V25-I29 WeakPolarHBondContact O-CG1 3.2Å; V25-I29 PolarHBondContact O-N 2.93Å; T26-I29 PolarHBondContact O-N 2.95Å; I29-M32 PolarHBondContact O-N 2.92Å; I29-S33 WeakPolarHBondContact O-CB 3.27Å; I29-S33 PolarHBondContact O-N 3.35Å; I29-S33 PolarHBondContact O-OG 2.85Å
30C68.3Low63.9Low63 Ų6377.2 Ų77.243%0.42644%0.442SS..Hα-helixtrans-63.7-47.2176-72.90000111.6T26 L27 M32 S33 M34T26-C30 WeakPolarHBondContact O-CB 3.29Å; T26-C30 PolarHBondContact O-N 3.02Å; T26-C30 PolarHBondContact O-SG 2.84Å; L27-C30 PolarHBondContact O-N 2.91Å; C30-M32 VanDerWaalsContact C-N 3.32Å; C30-M32 PolarHBondContact O-N 2.77Å; C30-S33 WeakPolarHBondContact O-CA 3.32Å; C30-S33 WeakPolarHBondContact O-CB 3.44Å; C30-S33 PolarHBondContact O-N 3.47Å; C30-M34 WeakPolarHBondContact O-CG 3.42Å; C30-M34 PolarHBondContact O-N 2.95Å
31M65.4Low61.7Low46 Ų4684.1 Ų84.123%0.22748%0.478CS..Hα-helixtrans-61.7-40.3176.8-69.2-174.580.200111.9L27 T28 S33 M34 V109 F113L27-M31 HydrophobicContact CD1-CG 4.31Å; L27-M31 HydrophobicContact CD1-SD 4.36Å; L27-M31 HydrophobicContact CG-SD 4.37Å; L27-M31 WeakPolarHBondContact O-CG 3.4Å; L27-M31 PolarHBondContact O-N 2.88Å; T28-M31 PolarHBondContact O-N 2.97Å; M31-S33 PolarHBondContact O-N 2.89Å; M31-M34 PolarHBondContact O-N 3.01Å; M31-V109 HydrophobicContact CB-CG1 3.72Å; M31-F113 HydrophobicContact CE-CD1 4.47Å; M31-F113 HydrophobicContact CE-CG 4.38Å
32M61.6Low59.5Low130 Ų13090.8 Ų90.864%0.6451%0.506SS*.Hα-helixtrans-63.7-28.2172.8-170174.7-178.400112.9T28 I29 C30 V109T28-M32 WeakPolarHBondContact O-CB 3.35Å; T28-M32 PolarHBondContact O-N 2.99Å; I29-M32 PolarHBondContact O-N 2.92Å; C30-M32 VanDerWaalsContact C-N 3.32Å; C30-M32 PolarHBondContact O-N 2.77Å; M32-V109 HydrophobicContact CB-CG1 4.13Å; M32-V109 HydrophobicContact CB-CG2 3.97Å; M32-V109 HydrophobicContact CG-CG2 4.21Å; M32-V109 HydrophobicContact SD-CG2 4.27Å
33S59.1Low57.2Low63 Ų6394.6 Ų94.644%0.44152%0.522SS..Hα-helixtrans-84.9-28.7-179.7-56.90000113.6I29 C30 M31 N35 M36I29-S33 WeakPolarHBondContact O-CB 3.27Å; I29-S33 PolarHBondContact O-N 3.35Å; I29-S33 PolarHBondContact O-OG 2.85Å; C30-S33 WeakPolarHBondContact O-CA 3.32Å; C30-S33 WeakPolarHBondContact O-CB 3.44Å; C30-S33 PolarHBondContact O-N 3.47Å; M31-S33 PolarHBondContact O-N 2.89Å; S33-N35 VanDerWaalsContact C-N 3.35Å; S33-N35 PolarHBondContact O-N 2.99Å; S33-M36 WeakPolarHBondContact O-CB 3.43Å; S33-M36 PolarHBondContact O-N 3.48Å
34M58Low55.1Low129 Ų12996.6 Ų96.664%0.63553%0.529SS*.Hα-helixtrans-64-37-176.1-75.2-171.475.100112.9C30 M31 M36C30-M34 WeakPolarHBondContact O-CG 3.42Å; C30-M34 PolarHBondContact O-N 2.95Å; M31-M34 PolarHBondContact O-N 3.01Å; M34-M36 VanDerWaalsContact C-N 3.28Å; M34-M36 PolarHBondContact O-N 2.97Å
35N45.8Very low53.1Low34 Ų3496.9 Ų96.918%0.18254%0.535CS..THydrogen-bonded Turntrans-82.53.4179.3-73.933000114.2S33 F37 H112 F113S33-N35 VanDerWaalsContact C-N 3.35Å; S33-N35 PolarHBondContact O-N 2.99Å; N35-F37 PolarHBondContact O-N 3.41Å; N35-H112 PolarHBondContact ND2-O 3.01Å; N35-F113 WeakPolarHBondContact OD1-CD2 3.31Å
36M46.8Very low51.1Low158 Ų158104.3 Ų104.378%0.77856%0.556SS**THydrogen-bonded Turntrans-71.1-16.8167.9-74-100.4-69.100113S33 M34S33-M36 WeakPolarHBondContact O-CB 3.43Å; S33-M36 PolarHBondContact O-N 3.48Å; M34-M36 VanDerWaalsContact C-N 3.28Å; M34-M36 PolarHBondContact O-N 2.97Å
37F40.8Very low49Very low194 Ų194102.7 Ų102.785%0.85155%0.545SS*.SBendtrans-114.5-14.8-175.3-83.4-86.5000114.8N35 G39N35-F37 PolarHBondContact O-N 3.41Å; F37-G39 PolarHBondContact O-N 3.31Å
38T38.1Very low47.4Very low92 Ų92103.9 Ų103.956%0.56454%0.544SS*.SBendtrans-89.377.2174.153.60000110.1N40T38-N40 PolarHBondContact O-N 3.49Å
39G44.3Very low45.6Very low74 Ų74112.3 Ų112.376%0.76358%0.583SS**  trans-70.4128-173.700000114F37F37-G39 PolarHBondContact O-N 3.31Å
40N30.3Very low44Very low134 Ų134110.6 Ų110.672%0.71758%0.578SS**  trans-136136.7156.6-126.7-18.4000109.4T38 K42T38-N40 PolarHBondContact O-N 3.49Å; N40-K42 PolarHBondContact O-N 3.33Å
41N40Very low42.3Very low161 Ų161113.6 Ų113.686%0.86160%0.597SS**SBendtrans-87.997.8-159.2-77.9-44.4000113.9
42K34.9Very low40.7Very low166 Ų166120.1 Ų120.172%0.72262%0.624SS**  trans-156.647.6158.9-121.5-178.4-177.1-170.50115.2N40 C44 E117N40-K42 PolarHBondContact O-N 3.33Å; K42-C44 PolarHBondContact O-N 3.45Å; K42-E117 IonicContact NZ-OE1 3.62Å
43I35.6Very low39.3Very low159 Ų159123.5 Ų123.582%0.81564%0.636SS**  trans-76.186176-52.9176.8000110.1G45I43-G45 PolarHBondContact O-N 2.84Å
44C36.6Very low38.1Very low82 Ų82129.1 Ų129.155%0.55466%0.655SS**  trans-65.988.4153.4-80.40000107.3K42 C50K42-C44 PolarHBondContact O-N 3.45Å; C44-C50 HydrophobicContact CB-CB 4.19Å; C44-C50 WeakPolarHBondContact CB-SG 3.41Å; C44-C50 WeakPolarHBondContact SG-CB 3.2Å; C44-C50 CovalentContact SG-SG 2.05Å; C44-C50 PolarHBondContact SG-SG 2.72Å
45G34.9Very low37.1Very low20 Ų20130.9 Ų130.921%0.20666%0.662CS.*  trans-63.5149.9-174.900000112.4I43 N47 Y48I43-G45 PolarHBondContact O-N 2.84Å; G45-N47 PolarHBondContact O-N 2.88Å; G45-Y48 PolarHBondContact O-N 3.34Å; G45-Y48 VanDerWaalsContact O-N 3.12Å
46W36.4Very low36.6Very low219 Ų219136.5 Ų136.583%0.8369%0.692SS**THydrogen-bonded Turntrans-58.90.6-174.4-74.567.9000116.2F310W46-F310 WeakPolarHBondContact O-CE1 3.34Å; W46-F310 WeakPolarHBondContact O-CZ 3.4Å
47N33Very low36.3Very low38 Ų38134 Ų13420%0.20369%0.685CS.*THydrogen-bonded Turntrans-13321.6-175.3-15330000112.6G45 F310G45-N47 PolarHBondContact O-N 2.88Å; N47-F310 VanDerWaalsContact OD1-CD2 3.24Å; N47-F310 WeakPolarHBondContact OD1-CD2 3.25Å; N47-F310 WeakPolarHBondContact OD1-CG 3.23Å
48Y42.8Very low36.4Very low104 Ų104130.2 Ų130.241%0.40867%0.673SS.*SBendtrans-135.9137.4175.7-68.9-66.4000111.6G45 C50 I301 E302 P303G45-Y48 PolarHBondContact O-N 3.34Å; G45-Y48 VanDerWaalsContact O-N 3.12Å; Y48-C50 PolarHBondContact O-N 2.86Å; Y48-I301 HydrophobicContact CE1-CB 4.38Å; Y48-I301 HydrophobicContact CE1-CG2 3.77Å; Y48-I301 PolarHBondContact OH-O 2.86Å; Y48-E302 WeakPolarHBondContact OH-CA 3.37Å; Y48-P303 VanDerWaalsContact OH-N 3.16Å
49E33.9Very low37Very low197 Ų197130.4 Ų130.492%0.92168%0.678SS**  trans-80104.7172.5-67.3-171.9121.600110.4
50C37.4Very low37.5Very low60 Ų60129.1 Ų129.141%0.40566%0.658SS.*PPolyproline II helixtrans-75.1142161.3-72.50000109C44 Y48 K52C44-C50 HydrophobicContact CB-CB 4.19Å; C44-C50 WeakPolarHBondContact CB-SG 3.41Å; C44-C50 WeakPolarHBondContact SG-CB 3.2Å; C44-C50 CovalentContact SG-SG 2.05Å; C44-C50 PolarHBondContact SG-SG 2.72Å; Y48-C50 PolarHBondContact O-N 2.86Å; C50-K52 PolarHBondContact O-N 2.95Å
51P31.7Very low38.7Very low125 Ų125126.7 Ų126.781%0.81265%0.645SS**PPolyproline II helixtrans-63.2123.3-17525.7-34.2000110.4F53P51-F53 PolarHBondContact O-N 3.39Å
52K32.8Very low39.6Very low183 Ų183123 Ų12380%0.79662%0.624SS**PPolyproline II helixtrans-65.6133.1169.5-63.8-179.9-176.7175.90108.5C50 E54C50-K52 PolarHBondContact O-N 2.95Å; K52-E54 PolarHBondContact O-N 2.96Å
53F33.2Very low40.9Very low202 Ų202120 Ų12089%0.88662%0.615SS**PPolyproline II helixtrans-70.3117.8146.7-89.2-97.3000106.4P51 E55P51-F53 PolarHBondContact O-N 3.39Å; F53-E55 PolarHBondContact O-N 2.79Å
54E32.6Very low42.3Very low180 Ų180117.2 Ų117.284%0.84160%0.6SS**  trans-77.281.8169.7-67.7-177.9138.800108.1K52K52-E54 PolarHBondContact O-N 2.96Å
55E38.2Very low43.6Very low167 Ų167114.7 Ų114.778%0.7858%0.581SS**  trans-77.3124.4152.7-68.4-172.9144.900107.2F53 V57F53-E55 PolarHBondContact O-N 2.79Å; E55-V57 PolarHBondContact O-N 2.93Å
56D33.5Very low45.1Very low152 Ų152114.8 Ų114.881%0.81358%0.578SS**  trans-64.891.6179.3-82.1-51.1000110.6L58D56-L58 PolarHBondContact O-N 3.3Å
57V42.3Very low46.8Very low105 Ų105108.8 Ų108.864%0.63656%0.561SS**  trans-61.6110.4172.7179.90000108.7E55 D61 I62E55-V57 PolarHBondContact O-N 2.93Å; V57-D61 HydrophobicContact CG1-CB 4.37Å; V57-I62 HydrophobicContact CG1-CG1 4.36Å
58L41.8Very low48.4Very low114 Ų114108 Ų10860%0.59756%0.558SS**  trans-60.9143.4178.8-89.676000110.5D56 S60 D61D56-L58 PolarHBondContact O-N 3.3Å; L58-S60 VanDerWaalsContact CB-OG 3.3Å; L58-S60 WeakPolarHBondContact CB-OG 3.48Å; L58-S60 PolarHBondContact O-N 3.4Å; L58-D61 PolarHBondContact O-N 3.02Å
59S51.3Low49.8Very low96 Ų96105.3 Ų105.367%0.67155%0.547SS*.Hα-helixtrans-62.6-11.3175.951.40000114.1I63S59-I63 WeakPolarHBondContact O-CD1 3.16Å; S59-I63 WeakPolarHBondContact O-CG1 3.32Å
60S53.8Low51.7Low48 Ų4897.2 Ų97.234%0.33651%0.512SS..Hα-helixtrans-63.7-38.4166.746.80000113L58 I63 I64L58-S60 VanDerWaalsContact CB-OG 3.3Å; L58-S60 WeakPolarHBondContact CB-OG 3.48Å; L58-S60 PolarHBondContact O-N 3.4Å; S60-I63 WeakPolarHBondContact O-CB 3.47Å; S60-I63 PolarHBondContact O-N 3.48Å; S60-I64 VanDerWaalsContact O-CG1 3.3Å; S60-I64 WeakPolarHBondContact O-CG1 3.48Å; S60-I64 PolarHBondContact O-N 3.42Å
61D56.1Low53.5Low83 Ų8398.7 Ų98.744%0.44452%0.515SS..Hα-helixtrans-82.8-34.9-161.9-60.72.4000110.1V57 L58 I63 I64 L65V57-D61 HydrophobicContact CG1-CB 4.37Å; L58-D61 PolarHBondContact O-N 3.02Å; D61-I63 VanDerWaalsContact C-N 3.32Å; D61-I63 PolarHBondContact O-N 3.39Å; D61-I64 PolarHBondContact O-N 2.92Å; D61-L65 VanDerWaalsContact O-CB 3.23Å; D61-L65 WeakPolarHBondContact O-CB 3.36Å; D61-L65 PolarHBondContact O-N 3.01Å
62I59.6Low55.3Low82 Ų8292.9 Ų92.942%0.42148%0.477SS..Hα-helixtrans-54.8-46.8164.5-61.5172.7000110.5V57 L65 T66 E321V57-I62 HydrophobicContact CG1-CG1 4.36Å; I62-L65 PolarHBondContact O-N 3.32Å; I62-T66 VanDerWaalsContact O-CB 3.29Å; I62-T66 WeakPolarHBondContact O-CB 3.46Å; I62-T66 PolarHBondContact O-N 3.2Å; I62-T66 PolarHBondContact O-OG1 3.02Å; I62-E321 HydrophobicContact CG2-CG 4.1Å; I62-E321 VanDerWaalsContact O-OE1 3.09Å
63I62.4Low57.4Low104 Ų10485.9 Ų85.953%0.53345%0.448SS..Hα-helixtrans-65.6-44.6178.8-66.6168.8000110.9S59 S60 D61 T66 I67S59-I63 WeakPolarHBondContact O-CD1 3.16Å; S59-I63 WeakPolarHBondContact O-CG1 3.32Å; S60-I63 WeakPolarHBondContact O-CB 3.47Å; S60-I63 PolarHBondContact O-N 3.48Å; D61-I63 VanDerWaalsContact C-N 3.32Å; D61-I63 PolarHBondContact O-N 3.39Å; I63-T66 PolarHBondContact O-N 3.13Å; I63-I67 HydrophobicContact CG2-CD1 3.75Å; I63-I67 HydrophobicContact CG2-CG1 4.48Å; I63-I67 WeakPolarHBondContact O-CB 3.38Å; I63-I67 VanDerWaalsContact O-CG1 3.25Å; I63-I67 WeakPolarHBondContact O-CG1 3.35Å; I63-I67 PolarHBondContact O-N 2.93Å
64I64.8Low59.5Low101 Ų10180.3 Ų80.352%0.51843%0.427SS..Hα-helixtrans-64.2-43.1178.9-69162.7000111.1S60 D61 I67 T68S60-I64 VanDerWaalsContact O-CG1 3.3Å; S60-I64 WeakPolarHBondContact O-CG1 3.48Å; S60-I64 PolarHBondContact O-N 3.42Å; D61-I64 PolarHBondContact O-N 2.92Å; I64-I67 PolarHBondContact O-N 3.27Å; I64-T68 WeakPolarHBondContact O-CB 3.45Å; I64-T68 PolarHBondContact O-N 3.26Å; I64-T68 PolarHBondContact O-OG1 3.5Å
65L62.9Low61.5Low28 Ų2875.2 Ų75.215%0.14740%0.401CS..Hα-helixtrans-67.8-41.8179.4-170.762.8000111.5D61 I62 T68 R69 E123 P126D61-L65 VanDerWaalsContact O-CB 3.23Å; D61-L65 WeakPolarHBondContact O-CB 3.36Å; D61-L65 PolarHBondContact O-N 3.01Å; I62-L65 PolarHBondContact O-N 3.32Å; L65-T68 PolarHBondContact O-N 2.91Å; L65-R69 WeakPolarHBondContact O-CG 3.33Å; L65-R69 PolarHBondContact O-N 3.32Å; L65-E123 HydrophobicContact CD2-CG 4.11Å; L65-P126 HydrophobicContact CD1-CG 4.19Å
66T66.6Low63.1Low23 Ų2369.2 Ų69.214%0.14137%0.373CS..Hα-helixtrans-62.1-45.6172.4-77.80000112.1I62 I63 T68 R69 C70 E321I62-T66 VanDerWaalsContact O-CB 3.29Å; I62-T66 WeakPolarHBondContact O-CB 3.46Å; I62-T66 PolarHBondContact O-N 3.2Å; I62-T66 PolarHBondContact O-OG1 3.02Å; I63-T66 PolarHBondContact O-N 3.13Å; T66-T68 VanDerWaalsContact C-N 3.33Å; T66-T68 PolarHBondContact O-N 3.14Å; T66-R69 PolarHBondContact O-N 3.16Å; T66-C70 PolarHBondContact O-N 3Å; T66-C70 PolarHBondContact O-SG 3.49Å; T66-E321 VanDerWaalsContact OG1-CG 3.26Å; T66-E321 WeakPolarHBondContact OG1-CG 3.4Å; T66-E321 PolarHBondContact OG1-OE1 3.05Å
67I72.2Confident65.1Low92 Ų9263.2 Ų63.247%0.47234%0.339SS..Hα-helixtrans-59.7-44.9174.9-72.1167.6000110.7I63 I64 R69 C70 I71I63-I67 HydrophobicContact CG2-CD1 3.75Å; I63-I67 HydrophobicContact CG2-CG1 4.48Å; I63-I67 WeakPolarHBondContact O-CB 3.38Å; I63-I67 VanDerWaalsContact O-CG1 3.25Å; I63-I67 WeakPolarHBondContact O-CG1 3.35Å; I63-I67 PolarHBondContact O-N 2.93Å; I64-I67 PolarHBondContact O-N 3.27Å; I67-R69 VanDerWaalsContact C-N 3.35Å; I67-R69 PolarHBondContact O-N 3.29Å; I67-C70 PolarHBondContact O-N 3.41Å; I67-I71 HydrophobicContact CG2-CD1 3.77Å; I67-I71 HydrophobicContact CG2-CG1 4.44Å; I67-I71 WeakPolarHBondContact O-CG1 3.41Å; I67-I71 PolarHBondContact O-N 3.11Å
68T67.6Low66.5Low23 Ų2363.7 Ų63.714%0.14133%0.333CS..Hα-helixtrans-62.6-41179.5-54.70000111.5I64 L65 T66 I71 A72 P126 F127 L130I64-T68 WeakPolarHBondContact O-CB 3.45Å; I64-T68 PolarHBondContact O-N 3.26Å; I64-T68 PolarHBondContact O-OG1 3.5Å; L65-T68 PolarHBondContact O-N 2.91Å; T66-T68 VanDerWaalsContact C-N 3.33Å; T66-T68 PolarHBondContact O-N 3.14Å; T68-I71 PolarHBondContact O-N 3.19Å; T68-A72 WeakPolarHBondContact O-CB 3.26Å; T68-A72 PolarHBondContact O-N 2.94Å; T68-P126 HydrophobicContact CG2-CB 3.94Å; T68-F127 HydrophobicContact CG2-CE1 4.27Å; T68-F127 HydrophobicContact CG2-CZ 4.26Å; T68-L130 HydrophobicContact CG2-CD1 4.07Å
69R71.1Confident67.7Low47 Ų4759.3 Ų59.318%0.17731%0.31CS..Hα-helixtrans-61.6-44.8172.6-74.9167179.5161.2-0.5112.2L65 T66 I67 I71 A72 I73 N122 P126 E321 T325L65-R69 WeakPolarHBondContact O-CG 3.33Å; L65-R69 PolarHBondContact O-N 3.32Å; T66-R69 PolarHBondContact O-N 3.16Å; I67-R69 VanDerWaalsContact C-N 3.35Å; I67-R69 PolarHBondContact O-N 3.29Å; R69-I71 PolarHBondContact O-N 3.47Å; R69-A72 PolarHBondContact O-N 3.39Å; R69-I73 VanDerWaalsContact O-CG1 3.31Å; R69-I73 WeakPolarHBondContact O-CG1 3.26Å; R69-I73 PolarHBondContact O-N 3.35Å; R69-N122 PolarHBondContact NH2-O 3.07Å; R69-P126 HydrophobicContact CG-CB 4.06Å; R69-P126 HydrophobicContact CG-CG 3.47Å; R69-P126 VanDerWaalsContact CG-CG 3.47Å; R69-E321 IonicContact CZ-OE2 3.77Å; R69-E321 IonicContact NH1-OE1 3.39Å; R69-E321 PolarHBondContact NH1-OE1 2.88Å; R69-E321 IonicContact NH1-OE2 2.64Å; R69-E321 PolarHBondContact NH1-OE2 3.05Å; R69-T325 HydrophobicContact CB-CG2 3.72Å
70C74.3Confident68.5Low27 Ų2756.3 Ų56.318%0.18229%0.285CS..Hα-helixtrans-62.8-40.3176.3-70.70000112.5T66 I67 I73 L74 L328T66-C70 PolarHBondContact O-N 3Å; T66-C70 PolarHBondContact O-SG 3.49Å; I67-C70 PolarHBondContact O-N 3.41Å; C70-I73 PolarHBondContact O-N 3.46Å; C70-L74 WeakPolarHBondContact O-CG 3.46Å; C70-L74 PolarHBondContact O-N 3.05Å; C70-L328 HydrophobicContact CB-CD2 3.86Å
71I74.8Confident69.2Low91 Ų9155.7 Ų55.747%0.46728%0.277SS..Hα-helixtrans-64.4-44.6175.4-67.8168.2000110.9I67 T68 R69 I73 L74 Y75 L130I67-I71 HydrophobicContact CG2-CD1 3.77Å; I67-I71 HydrophobicContact CG2-CG1 4.44Å; I67-I71 WeakPolarHBondContact O-CG1 3.41Å; I67-I71 PolarHBondContact O-N 3.11Å; T68-I71 PolarHBondContact O-N 3.19Å; R69-I71 PolarHBondContact O-N 3.47Å; I71-I73 PolarHBondContact O-N 3.27Å; I71-L74 PolarHBondContact O-N 3.46Å; I71-Y75 WeakPolarHBondContact O-CB 3.45Å; I71-Y75 PolarHBondContact O-N 3.44Å; I71-L130 HydrophobicContact CG2-CD2 4.37Å
72A70.4Confident69.6Low2 Ų254.6 Ų54.62%0.01727%0.27CS..Hα-helixtrans-60.3-42.1176.800000112.3T68 R69 Y75 I76 L129 L130T68-A72 WeakPolarHBondContact O-CB 3.26Å; T68-A72 PolarHBondContact O-N 2.94Å; R69-A72 PolarHBondContact O-N 3.39Å; A72-Y75 PolarHBondContact O-N 3.46Å; A72-I76 VanDerWaalsContact O-CG1 3.27Å; A72-I76 WeakPolarHBondContact O-CG1 3.37Å; A72-I76 PolarHBondContact O-N 3.01Å; A72-L129 HydrophobicContact CB-CB 4.26Å; A72-L130 HydrophobicContact CB-CD2 4.24Å; A72-L130 HydrophobicContact CB-CG 4.17Å
73I75.4Confident69.7Low37 Ų3751 Ų5119%0.1925%0.252CS..Hα-helixtrans-63.8-42.8176.2-68.2165.2000111.4R69 C70 I71 I76 Y77 T325 L328 A329 L332R69-I73 VanDerWaalsContact O-CG1 3.31Å; R69-I73 WeakPolarHBondContact O-CG1 3.26Å; R69-I73 PolarHBondContact O-N 3.35Å; C70-I73 PolarHBondContact O-N 3.46Å; I71-I73 PolarHBondContact O-N 3.27Å; I73-I76 PolarHBondContact O-N 3.04Å; I73-Y77 PolarHBondContact O-N 3.44Å; I73-T325 HydrophobicContact CD1-CG2 4.23Å; I73-L328 HydrophobicContact CB-CD2 4.38Å; I73-L328 HydrophobicContact CG2-CD2 4.2Å; I73-L328 HydrophobicContact CG2-CG 4.13Å; I73-A329 HydrophobicContact CG2-CB 4.47Å; I73-L332 HydrophobicContact CG2-CD1 3.73Å
74L77.6Confident69.7Low85 Ų8548 Ų4845%0.44523%0.234SC..Hα-helixtrans-66.8-39.1177.1-73.2167.1000112.5C70 I71 Y77 F78 L332C70-L74 WeakPolarHBondContact O-CG 3.46Å; C70-L74 PolarHBondContact O-N 3.05Å; I71-L74 PolarHBondContact O-N 3.46Å; L74-Y77 PolarHBondContact O-N 3.31Å; L74-F78 PolarHBondContact O-N 3.01Å; L74-L332 HydrophobicContact CD2-CD1 3.97Å; L74-L332 HydrophobicContact CD2-CD2 4.46Å
75Y74.8Confident69.4Low73 Ų7350.2 Ų50.229%0.28624%0.242SC..Hα-helixtrans-61.9-47.3174.5174.8-110.3000111.3I71 A72 Y77 F78 Q79 L130 I132I71-Y75 WeakPolarHBondContact O-CB 3.45Å; I71-Y75 PolarHBondContact O-N 3.44Å; A72-Y75 PolarHBondContact O-N 3.46Å; Y75-Y77 PolarHBondContact O-N 2.71Å; Y75-F78 PolarHBondContact O-N 3.2Å; Y75-Q79 HydrophobicContact CE1-CG 4.45Å; Y75-Q79 HydrophobicContact CE2-CG 4.37Å; Y75-Q79 VanDerWaalsContact O-CG 3.26Å; Y75-Q79 WeakPolarHBondContact O-CG 3.02Å; Y75-Q79 PolarHBondContact O-N 3.09Å; Y75-Q79 PolarHBondContact OH-NE2 2.88Å; Y75-L130 HydrophobicContact CD1-CD2 4.21Å; Y75-L130 HydrophobicContact CG-CD2 4.39Å; Y75-I132 WeakPolarHBondContact CE1-O 3.45Å; Y75-I132 PolarHBondContact OH-O 2.95Å
76I71.3Confident69.1Low40 Ų4050.6 Ų50.621%0.20524%0.244CC..Hα-helixtrans-58.6-47.2174.6-70.9165.3000111.1A72 I73 F78 Q79 F80 L129A72-I76 VanDerWaalsContact O-CG1 3.27Å; A72-I76 WeakPolarHBondContact O-CG1 3.37Å; A72-I76 PolarHBondContact O-N 3.01Å; I73-I76 PolarHBondContact O-N 3.04Å; I76-F78 VanDerWaalsContact C-N 3.34Å; I76-F78 PolarHBondContact O-N 3.21Å; I76-Q79 PolarHBondContact O-N 3.47Å; I76-F80 HydrophobicContact CG2-CD2 3.66Å; I76-F80 HydrophobicContact CG2-CE2 3.64Å; I76-F80 WeakPolarHBondContact O-CD2 3.42Å; I76-F80 PolarHBondContact O-N 3.32Å; I76-L129 HydrophobicContact CD1-CB 4.13Å; I76-L129 HydrophobicContact CD1-CD1 3.92Å; I76-L129 HydrophobicContact CD1-CD2 4.03Å; I76-L129 HydrophobicContact CD1-CG 4.24Å
77Y75.4Confident68.4Low26 Ų2650.3 Ų50.310%0.10225%0.246CC..Hα-helixtrans-55.4-48.9176.1170.6-108.3000111.1I73 L74 Y75 Q79 F80 Q81 L332 K335 Y336 E340I73-Y77 PolarHBondContact O-N 3.44Å; L74-Y77 PolarHBondContact O-N 3.31Å; Y75-Y77 PolarHBondContact O-N 2.71Å; Y77-Q79 VanDerWaalsContact C-N 3.35Å; Y77-Q79 PolarHBondContact O-N 3.41Å; Y77-F80 PolarHBondContact O-N 2.81Å; Y77-F80 VanDerWaalsContact O-N 3.14Å; Y77-Q81 HydrophobicContact CD1-CG 4.44Å; Y77-Q81 HydrophobicContact CD2-CG 4.5Å; Y77-Q81 VanDerWaalsContact CE1-CD 3.43Å; Y77-Q81 HydrophobicContact CE1-CG 4.07Å; Y77-Q81 HydrophobicContact CE2-CG 4.1Å; Y77-Q81 WeakPolarHBondContact O-CG 3.49Å; Y77-Q81 PolarHBondContact O-N 2.9Å; Y77-Q81 PolarHBondContact OH-NE2 3.36Å; Y77-L332 HydrophobicContact CD1-CD2 3.94Å; Y77-L332 HydrophobicContact CD2-CB 4.22Å; Y77-L332 HydrophobicContact CD2-CD2 4.28Å; Y77-L332 HydrophobicContact CE1-CD2 4.11Å; Y77-L332 HydrophobicContact CE2-CD2 4.46Å; Y77-L332 HydrophobicContact CG-CB 4.46Å; Y77-L332 HydrophobicContact CG-CD1 4.49Å; Y77-L332 HydrophobicContact CG-CD2 4.03Å; Y77-K335 WeakPolarHBondContact OH-CD 3.36Å; Y77-K335 PolarHBondContact OH-NZ 3.08Å; Y77-Y336 HydrophobicContact CE2-CD2 4.09Å; Y77-E340 WeakPolarHBondContact CE2-OE2 3.31Å; Y77-E340 PolarHBondContact OH-OE2 2.93Å
78F71.3Confident67.6Low116 Ų11646.7 Ų46.751%0.50923%0.229SC..Hα-helixtrans-62-37.7177.2-171.3-106.6000113.2L74 Y75 I76 Q81 N82L74-F78 PolarHBondContact O-N 3.01Å; Y75-F78 PolarHBondContact O-N 3.2Å; I76-F78 VanDerWaalsContact C-N 3.34Å; I76-F78 PolarHBondContact O-N 3.21Å; F78-Q81 WeakPolarHBondContact O-CB 3.36Å; F78-Q81 PolarHBondContact O-N 3.1Å; F78-N82 WeakPolarHBondContact CD1-ND2 3.29Å; F78-N82 WeakPolarHBondContact CE1-ND2 3.29Å; F78-N82 PolarHBondContact O-N 3.37Å; F78-N82 PolarHBondContact O-ND2 2.93Å
79Q67.3Low67Low21 Ų2151.5 Ų51.510%0.09825%0.248CC..Hα-helixtrans-64.7-39.6173.8-61.4-133-27.500111.9Y75 I76 Y77 N82 L83 L134Y75-Q79 HydrophobicContact CE1-CG 4.45Å; Y75-Q79 HydrophobicContact CE2-CG 4.37Å; Y75-Q79 VanDerWaalsContact O-CG 3.26Å; Y75-Q79 WeakPolarHBondContact O-CG 3.02Å; Y75-Q79 PolarHBondContact O-N 3.09Å; Y75-Q79 PolarHBondContact OH-NE2 2.88Å; I76-Q79 PolarHBondContact O-N 3.47Å; Y77-Q79 VanDerWaalsContact C-N 3.35Å; Y77-Q79 PolarHBondContact O-N 3.41Å; Q79-N82 PolarHBondContact O-N 3.39Å; Q79-L83 WeakPolarHBondContact O-CG 3.46Å; Q79-L83 PolarHBondContact O-N 3.44Å; Q79-L134 HydrophobicContact CB-CD1 4.4Å
80F69Low66.3Low33 Ų3356 Ų5615%0.14527%0.266CS..Hα-helixtrans-66.9-36.7172.8-83.4-71.5000113.2I76 Y77 N82 L83 R84 G93 L97 I100 Y336I76-F80 HydrophobicContact CG2-CD2 3.66Å; I76-F80 HydrophobicContact CG2-CE2 3.64Å; I76-F80 WeakPolarHBondContact O-CD2 3.42Å; I76-F80 PolarHBondContact O-N 3.32Å; Y77-F80 PolarHBondContact O-N 2.81Å; Y77-F80 VanDerWaalsContact O-N 3.14Å; F80-N82 PolarHBondContact O-N 2.8Å; F80-L83 HydrophobicContact CD1-CD1 4.48Å; F80-L83 PolarHBondContact O-N 2.94Å; F80-R84 WeakPolarHBondContact O-CB 3.46Å; F80-R84 PolarHBondContact O-N 2.91Å; F80-G93 WeakPolarHBondContact CE1-O 3.44Å; F80-L97 HydrophobicContact CE1-CB 4.47Å; F80-L97 HydrophobicContact CZ-CB 4.07Å; F80-L97 HydrophobicContact CZ-CD1 4.21Å; F80-I100 HydrophobicContact CE2-CD1 4.18Å; F80-I100 HydrophobicContact CZ-CD1 4.17Å; F80-Y336 HydrophobicContact CB-CE2 4.14Å
81Q68.4Low65.7Low36 Ų3656.8 Ų56.817%0.16827%0.268CS..Hα-helixtrans-57.7-48171.4-64.9-176.9-73.200111.1Y77 F78 L83 R84 Q85 E340Y77-Q81 HydrophobicContact CD1-CG 4.44Å; Y77-Q81 HydrophobicContact CD2-CG 4.5Å; Y77-Q81 VanDerWaalsContact CE1-CD 3.43Å; Y77-Q81 HydrophobicContact CE1-CG 4.07Å; Y77-Q81 HydrophobicContact CE2-CG 4.1Å; Y77-Q81 WeakPolarHBondContact O-CG 3.49Å; Y77-Q81 PolarHBondContact O-N 2.9Å; Y77-Q81 PolarHBondContact OH-NE2 3.36Å; F78-Q81 WeakPolarHBondContact O-CB 3.36Å; F78-Q81 PolarHBondContact O-N 3.1Å; Q81-L83 PolarHBondContact O-N 2.69Å; Q81-R84 WeakPolarHBondContact O-CB 3.49Å; Q81-R84 PolarHBondContact O-N 2.78Å; Q81-R84 VanDerWaalsContact O-N 3.15Å; Q81-Q85 PolarHBondContact O-N 3.26Å; Q81-Q85 VanDerWaalsContact O-N 3.11Å; Q81-E340 WeakPolarHBondContact CG-OE1 3.41Å; Q81-E340 PolarHBondContact NE2-OE1 3.19Å
82N63.4Low65.2Low59 Ų5952.9 Ų52.932%0.31625%0.248SC..Hα-helixtrans-64.1-40.1179.4-67.4-30.1000112.4F78 Q79 F80 R84 Q85F78-N82 WeakPolarHBondContact CD1-ND2 3.29Å; F78-N82 WeakPolarHBondContact CE1-ND2 3.29Å; F78-N82 PolarHBondContact O-N 3.37Å; F78-N82 PolarHBondContact O-ND2 2.93Å; Q79-N82 PolarHBondContact O-N 3.39Å; F80-N82 PolarHBondContact O-N 2.8Å; N82-R84 VanDerWaalsContact C-N 3.31Å; N82-R84 PolarHBondContact O-N 2.83Å; N82-Q85 PolarHBondContact O-N 2.65Å
83L63Low64.9Low6 Ų653.7 Ų53.73%0.03126%0.256CS..Hα-helixtrans-64.3-33.6173.4-70.7168.8000112.5Q79 F80 Q81 L86 L92 L134Q79-L83 WeakPolarHBondContact O-CG 3.46Å; Q79-L83 PolarHBondContact O-N 3.44Å; F80-L83 HydrophobicContact CD1-CD1 4.48Å; F80-L83 PolarHBondContact O-N 2.94Å; Q81-L83 PolarHBondContact O-N 2.69Å; L83-L86 PolarHBondContact O-N 2.88Å; L83-L92 HydrophobicContact CD2-CD1 4.5Å; L83-L92 HydrophobicContact CD2-CD2 4.02Å; L83-L92 HydrophobicContact CD2-CG 4.06Å; L83-L134 HydrophobicContact CD1-CB 4.44Å; L83-L134 HydrophobicContact CD1-CD1 4.4Å
84R61.4Low64.5Low41 Ų4156.8 Ų56.816%0.15527%0.272CS..Hα-helixtrans-70.6-37178-166.2-176.9-170166.55.3112.9F80 Q81 N82 L86 G87 Y336F80-R84 WeakPolarHBondContact O-CB 3.46Å; F80-R84 PolarHBondContact O-N 2.91Å; Q81-R84 WeakPolarHBondContact O-CB 3.49Å; Q81-R84 PolarHBondContact O-N 2.78Å; Q81-R84 VanDerWaalsContact O-N 3.15Å; N82-R84 VanDerWaalsContact C-N 3.31Å; N82-R84 PolarHBondContact O-N 2.83Å; R84-L86 PolarHBondContact O-N 3.14Å; R84-G87 PolarHBondContact O-N 3.44Å; R84-Y336 HydrophobicContact CB-CE2 4.45Å; R84-Y336 PolarHBondContact NH1-O 2.89Å; R84-Y336 PolarHBondContact NH2-O 3.32Å
85Q59.3Low63.9Low149 Ų14953.1 Ų53.170%0.69625%0.254SS*.Hα-helixtrans-60.2-26.4176.2-70.2-177.721.400112.9Q81 N82 G87Q81-Q85 PolarHBondContact O-N 3.26Å; Q81-Q85 VanDerWaalsContact O-N 3.11Å; N82-Q85 PolarHBondContact O-N 2.65Å; Q85-G87 PolarHBondContact O-N 2.88Å
86L55.9Low63.6Low35 Ų3549.7 Ų49.718%0.18324%0.241CC..THydrogen-bonded Turntrans-78.65.5178.9-61.3175.7000114.5L83 R84 L92 K142L83-L86 PolarHBondContact O-N 2.88Å; R84-L86 PolarHBondContact O-N 3.14Å; L86-L92 HydrophobicContact CB-CD2 4.35Å; L86-K142 HydrophobicContact CD1-CG 4.31Å; L86-K142 HydrophobicContact CD2-CG 4.24Å
87G52.9Low63.5Low18 Ų1852.8 Ų52.819%0.18626%0.257CS..THydrogen-bonded Turntrans84.962161.800000115.5R84 Q85 W233R84-G87 PolarHBondContact O-N 3.44Å; Q85-G87 PolarHBondContact O-N 2.88Å; G87-W233 WeakPolarHBondContact O-CH2 3.22Å; G87-W233 WeakPolarHBondContact O-CZ2 3.41Å; G87-W233 VanDerWaalsContact O-CZ3 3.25Å; G87-W233 WeakPolarHBondContact O-CZ3 3.34Å
88S55Low63.1Low15 Ų1556.4 Ų56.411%0.10527%0.274CS..  trans-151.3136149.3-169.60000111.4Y90S88-Y90 VanDerWaalsContact C-N 3.27Å; S88-Y90 PolarHBondContact O-N 3.48Å
89K54.3Low63Low124 Ų12451 Ų5154%0.53925%0.25SS..SBendtrans-61.3-32.8-171-72.5-155.7171.6-155.30113.5E345K89-E345 IonicContact NZ-OE1 3.18Å
90Y57.6Low63.2Low142 Ų14251 Ų5156%0.55725%0.251SS*.SBendtrans-145.6-33.4-179.9-63.1-74.1000115S88 L92 G93 I94S88-Y90 VanDerWaalsContact C-N 3.27Å; S88-Y90 PolarHBondContact O-N 3.48Å; Y90-L92 PolarHBondContact O-N 2.83Å; Y90-G93 PolarHBondContact O-N 3.29Å; Y90-G93 VanDerWaalsContact O-N 3.16Å; Y90-I94 WeakPolarHBondContact O-CG1 3.46Å; Y90-I94 PolarHBondContact O-N 3.26Å
91I61.5Low63.3Low44 Ų4455.6 Ų55.623%0.22627%0.271CS..Hα-helixtrans-53.3-52.9-169.6-75.5161.5000113.5G93 I94 A95 V219 S223I91-G93 VanDerWaalsContact C-N 3.31Å; I91-G93 PolarHBondContact O-N 3.46Å; I91-I94 PolarHBondContact O-N 2.9Å; I91-A95 PolarHBondContact O-N 2.82Å; I91-A95 VanDerWaalsContact O-N 3.08Å; I91-V219 HydrophobicContact CB-CG1 4.22Å; I91-V219 HydrophobicContact CG1-CG1 3.97Å; I91-V219 HydrophobicContact CG2-CB 4.38Å; I91-V219 HydrophobicContact CG2-CG1 3.53Å; I91-S223 WeakPolarHBondContact CD1-OG 3.41Å
92L63.5Low63.3Low9 Ų954.9 Ų54.95%0.04727%0.27CS..Hα-helixtrans-70.3-30.3-175.8-175.356.9000112.2L83 L86 Y90 G96 A141 L145L83-L92 HydrophobicContact CD2-CD1 4.5Å; L83-L92 HydrophobicContact CD2-CD2 4.02Å; L83-L92 HydrophobicContact CD2-CG 4.06Å; L86-L92 HydrophobicContact CB-CD2 4.35Å; Y90-L92 PolarHBondContact O-N 2.83Å; L92-G96 PolarHBondContact O-N 3.03Å; L92-A141 HydrophobicContact CD1-CB 3.53Å; L92-A141 HydrophobicContact CD2-CB 4Å; L92-A141 HydrophobicContact CG-CB 4.45Å; L92-L145 HydrophobicContact CD2-CD1 4.5Å
93G65Low63.7Low18 Ų1852.1 Ų52.119%0.18626%0.255CS..Hα-helixtrans-66.6-41.217200000112.5F80 Y90 I91 G96 L97F80-G93 WeakPolarHBondContact CE1-O 3.44Å; Y90-G93 PolarHBondContact O-N 3.29Å; Y90-G93 VanDerWaalsContact O-N 3.16Å; I91-G93 VanDerWaalsContact C-N 3.31Å; I91-G93 PolarHBondContact O-N 3.46Å; G93-G96 PolarHBondContact O-N 3.49Å; G93-L97 WeakPolarHBondContact O-CB 3.25Å; G93-L97 PolarHBondContact O-N 3Å
94I65.8Low64.1Low102 Ų10254.5 Ų54.552%0.52327%0.265SS..Hα-helixtrans-63.7-44.7176.1-66.6164.5000110.5Y90 I91 G96 L97 F98Y90-I94 WeakPolarHBondContact O-CG1 3.46Å; Y90-I94 PolarHBondContact O-N 3.26Å; I91-I94 PolarHBondContact O-N 2.9Å; I94-G96 PolarHBondContact O-N 2.83Å; I94-L97 PolarHBondContact O-N 3.24Å; I94-F98 WeakPolarHBondContact O-CB 3.32Å; I94-F98 PolarHBondContact O-N 2.98Å
95A64.8Low64.5Low8 Ų855 Ų557%0.06627%0.273CS..Hα-helixtrans-62-41.9176.400000112.5I91 T99 F212I91-A95 PolarHBondContact O-N 2.82Å; I91-A95 VanDerWaalsContact O-N 3.08Å; A95-T99 WeakPolarHBondContact O-CB 3.45Å; A95-T99 PolarHBondContact O-N 3.26Å; A95-T99 VanDerWaalsContact O-N 3.07Å; A95-T99 PolarHBondContact O-OG1 2.65Å; A95-F212 HydrophobicContact CB-CE2 4.18Å
96G68.4Low64.9Low2 Ų249 Ų492%0.02124%0.244CC..Hα-helixtrans-63.1-47.7174.300000112.8L92 G93 I94 F98 T99 I100L92-G96 PolarHBondContact O-N 3.03Å; G93-G96 PolarHBondContact O-N 3.49Å; I94-G96 PolarHBondContact O-N 2.83Å; G96-F98 PolarHBondContact O-N 3.41Å; G96-T99 WeakPolarHBondContact O-CB 3.42Å; G96-T99 PolarHBondContact O-N 2.62Å; G96-T99 VanDerWaalsContact O-N 3.17Å; G96-I100 WeakPolarHBondContact O-CG1 3.35Å; G96-I100 PolarHBondContact O-N 2.96Å; G96-I100 VanDerWaalsContact O-N 3.08Å
97L69.7Low65.6Low105 Ų10547.4 Ų47.455%0.5524%0.236SC..Hα-helixtrans-60.4-44.4178.5-175.966.2000112.2F80 G93 I94 T99 I100 F101F80-L97 HydrophobicContact CE1-CB 4.47Å; F80-L97 HydrophobicContact CZ-CB 4.07Å; F80-L97 HydrophobicContact CZ-CD1 4.21Å; G93-L97 WeakPolarHBondContact O-CB 3.25Å; G93-L97 PolarHBondContact O-N 3Å; I94-L97 PolarHBondContact O-N 3.24Å; L97-T99 VanDerWaalsContact C-N 3.3Å; L97-T99 PolarHBondContact O-N 3.17Å; L97-I100 PolarHBondContact O-N 3.14Å; L97-F101 PolarHBondContact O-N 2.67Å; L97-F101 VanDerWaalsContact O-N 3.11Å
98F67.8Low66.3Low101 Ų10148.2 Ų48.244%0.44324%0.237SC..Hα-helixtrans-64.3-37.5177-153.3-68.6000111.2I94 G96 F101 S102 F211I94-F98 WeakPolarHBondContact O-CB 3.32Å; I94-F98 PolarHBondContact O-N 2.98Å; G96-F98 PolarHBondContact O-N 3.41Å; F98-F101 PolarHBondContact O-N 2.65Å; F98-S102 WeakPolarHBondContact CD1-OG 3.4Å; F98-S102 VanDerWaalsContact CE1-OG 3.29Å; F98-S102 WeakPolarHBondContact CE1-OG 3.3Å; F98-S102 WeakPolarHBondContact O-CB 3.39Å; F98-S102 PolarHBondContact O-N 2.95Å; F98-S102 PolarHBondContact O-OG 3.11Å; F98-F211 AromaticContact CD1-CE1 3.44Å; F98-F211 HydrophobicContact CD1-CE1 3.44Å; F98-F211 VanDerWaalsContact CD1-CE1 3.44Å; F98-F211 AromaticContact CD1-CZ 3.77Å; F98-F211 HydrophobicContact CD1-CZ 3.77Å; F98-F211 AromaticContact CE1-CE1 3.62Å; F98-F211 HydrophobicContact CE1-CE1 3.62Å; F98-F211 AromaticContact CE1-CZ 3.41Å; F98-F211 HydrophobicContact CE1-CZ 3.41Å; F98-F211 VanDerWaalsContact CE1-CZ 3.41Å; F98-F211 HydrophobicContact CG-CE1 4.49Å; F98-F211 HydrophobicContact CZ-CZ 4.33Å
99T69.4Low66.7Low2 Ų248 Ų481%0.01224%0.236CC..Hα-helixtrans-62.6-43.8176.7-56.50000112A95 G96 L97 F101 S103 V207 F212A95-T99 WeakPolarHBondContact O-CB 3.45Å; A95-T99 PolarHBondContact O-N 3.26Å; A95-T99 VanDerWaalsContact O-N 3.07Å; A95-T99 PolarHBondContact O-OG1 2.65Å; G96-T99 WeakPolarHBondContact O-CB 3.42Å; G96-T99 PolarHBondContact O-N 2.62Å; G96-T99 VanDerWaalsContact O-N 3.17Å; L97-T99 VanDerWaalsContact C-N 3.3Å; L97-T99 PolarHBondContact O-N 3.17Å; T99-F101 VanDerWaalsContact C-N 3.35Å; T99-F101 PolarHBondContact O-N 3Å; T99-S103 VanDerWaalsContact O-CB 3.3Å; T99-S103 WeakPolarHBondContact O-CB 3.43Å; T99-S103 PolarHBondContact O-N 3.15Å; T99-V207 HydrophobicContact CG2-CG1 4.14Å; T99-F212 HydrophobicContact CG2-CB 4.35Å; T99-F212 VanDerWaalsContact OG1-CD2 3.3Å; T99-F212 WeakPolarHBondContact OG1-CD2 3.29Å
100I71.6Confident67.2Low22 Ų2243 Ų4311%0.11322%0.215CC..Hα-helixtrans-57.9-48.8173.3-60.9159000110.3F80 G96 L97 S103 F104 L129 I132 L134F80-I100 HydrophobicContact CE2-CD1 4.18Å; F80-I100 HydrophobicContact CZ-CD1 4.17Å; G96-I100 WeakPolarHBondContact O-CG1 3.35Å; G96-I100 PolarHBondContact O-N 2.96Å; G96-I100 VanDerWaalsContact O-N 3.08Å; L97-I100 PolarHBondContact O-N 3.14Å; I100-S103 PolarHBondContact O-N 3.11Å; I100-F104 PolarHBondContact O-N 3.2Å; I100-L129 HydrophobicContact CG2-CD2 4.06Å; I100-I132 HydrophobicContact CG1-CG2 4.42Å; I100-I132 HydrophobicContact CG2-CD1 4.09Å; I100-L134 HydrophobicContact CD1-CD1 3.84Å; I100-L134 HydrophobicContact CG1-CD1 4.1Å; I100-L134 HydrophobicContact CG1-CD2 4.1Å
101F70.6Confident67.5Low130 Ų13037.3 Ų37.357%0.5719%0.194SC*.Hα-helixtrans-63.4-48.8-177.6-178.6-101.2000112.4L97 F98 T99 S103 F104 V105L97-F101 PolarHBondContact O-N 2.67Å; L97-F101 VanDerWaalsContact O-N 3.11Å; F98-F101 PolarHBondContact O-N 2.65Å; T99-F101 VanDerWaalsContact C-N 3.35Å; T99-F101 PolarHBondContact O-N 3Å; F101-S103 VanDerWaalsContact C-N 3.33Å; F101-S103 PolarHBondContact O-N 3.16Å; F101-F104 PolarHBondContact O-N 3.37Å; F101-V105 HydrophobicContact CD1-CG2 4.41Å; F101-V105 HydrophobicContact CE1-CG2 4.04Å; F101-V105 HydrophobicContact CE2-CG2 4.28Å; F101-V105 HydrophobicContact CZ-CG2 3.97Å; F101-V105 WeakPolarHBondContact O-CG2 3.38Å; F101-V105 PolarHBondContact O-N 2.84Å
102S68.1Low67.6Low21 Ų2140.1 Ų40.115%0.14721%0.207CC..Hα-helixtrans-60.7-40.3175.3-71.30000112.4F98 F106F98-S102 WeakPolarHBondContact CD1-OG 3.4Å; F98-S102 VanDerWaalsContact CE1-OG 3.29Å; F98-S102 WeakPolarHBondContact CE1-OG 3.3Å; F98-S102 WeakPolarHBondContact O-CB 3.39Å; F98-S102 PolarHBondContact O-N 2.95Å; F98-S102 PolarHBondContact O-OG 3.11Å; S102-F106 VanDerWaalsContact O-CB 3.24Å; S102-F106 WeakPolarHBondContact O-CB 3.39Å; S102-F106 PolarHBondContact O-N 3.45Å
103S71.8Confident67.4Low0 Ų044.1 Ų44.10%022%0.224CC..Hα-helixtrans-62.3-42.3175-171.30000111.7T99 I100 F101 S107 N204T99-S103 VanDerWaalsContact O-CB 3.3Å; T99-S103 WeakPolarHBondContact O-CB 3.43Å; T99-S103 PolarHBondContact O-N 3.15Å; I100-S103 PolarHBondContact O-N 3.11Å; F101-S103 VanDerWaalsContact C-N 3.33Å; F101-S103 PolarHBondContact O-N 3.16Å; S103-S107 VanDerWaalsContact O-CB 3.29Å; S103-S107 WeakPolarHBondContact O-CB 3.4Å; S103-S107 PolarHBondContact O-N 2.9Å; S103-S107 PolarHBondContact O-OG 3.31Å; S103-N204 VanDerWaalsContact OG-CA 3.27Å; S103-N204 WeakPolarHBondContact OG-CA 3.25Å; S103-N204 WeakPolarHBondContact OG-CB 3.4Å
104F71.6Confident67.1Low57 Ų5747.4 Ų47.425%0.2524%0.236CC..Hα-helixtrans-65.1-46.9178.7-178.9-104.1000112.3I100 F101 S107 T108 L125 F128I100-F104 PolarHBondContact O-N 3.2Å; F101-F104 PolarHBondContact O-N 3.37Å; F104-S107 PolarHBondContact O-N 2.85Å; F104-T108 WeakPolarHBondContact O-CB 3.28Å; F104-T108 PolarHBondContact O-N 3.04Å; F104-T108 PolarHBondContact O-OG1 3.3Å; F104-L125 HydrophobicContact CE2-CD1 3.82Å; F104-L125 HydrophobicContact CE2-CG 4.22Å; F104-L125 HydrophobicContact CZ-CD1 3.91Å; F104-F128 VanDerWaalsContact CA-CZ 3.46Å; F104-F128 HydrophobicContact CB-CE1 3.69Å; F104-F128 HydrophobicContact CB-CZ 3.94Å; F104-F128 AromaticContact CD2-CD1 3.87Å; F104-F128 HydrophobicContact CD2-CD1 3.87Å; F104-F128 AromaticContact CD2-CE1 3.73Å; F104-F128 HydrophobicContact CD2-CE1 3.73Å; F104-F128 HydrophobicContact CD2-CG 4.48Å; F104-F128 HydrophobicContact CD2-CZ 4.25Å; F104-F128 HydrophobicContact CG-CE1 4.21Å
105V70.3Confident66.5Low52 Ų5248.5 Ų48.532%0.31524%0.243SC..Hα-helixtrans-62-48.7177.2173.80000110.7T28 F101 S107 T108 V109T28-V105 HydrophobicContact CG2-CG1 4.14Å; F101-V105 HydrophobicContact CD1-CG2 4.41Å; F101-V105 HydrophobicContact CE1-CG2 4.04Å; F101-V105 HydrophobicContact CE2-CG2 4.28Å; F101-V105 HydrophobicContact CZ-CG2 3.97Å; F101-V105 WeakPolarHBondContact O-CG2 3.38Å; F101-V105 PolarHBondContact O-N 2.84Å; V105-S107 PolarHBondContact O-N 3.05Å; V105-T108 PolarHBondContact O-N 2.86Å; V105-V109 WeakPolarHBondContact O-CG2 3.43Å; V105-V109 PolarHBondContact O-N 2.73Å
106F67.9Low66Low22 Ų2253.2 Ų53.210%0.09626%0.262CS..Hα-helixtrans-64-41.5-179.5-168.1-99.9000112.1T28 S102 T108 V109 V110 A203 F206 V207T28-F106 HydrophobicContact CG2-CD2 4.19Å; S102-F106 VanDerWaalsContact O-CB 3.24Å; S102-F106 WeakPolarHBondContact O-CB 3.39Å; S102-F106 PolarHBondContact O-N 3.45Å; F106-T108 PolarHBondContact O-N 3.43Å; F106-V109 PolarHBondContact O-N 2.67Å; F106-V110 HydrophobicContact CD1-CG2 3.98Å; F106-V110 HydrophobicContact CE1-CG2 3.72Å; F106-V110 HydrophobicContact CZ-CG2 4.05Å; F106-V110 WeakPolarHBondContact O-CB 3.4Å; F106-V110 VanDerWaalsContact O-CG2 3.29Å; F106-V110 WeakPolarHBondContact O-CG2 3.47Å; F106-V110 PolarHBondContact O-N 2.88Å; F106-A203 HydrophobicContact CD1-CB 3.67Å; F106-A203 HydrophobicContact CE1-CB 4.35Å; F106-F206 HydrophobicContact CE1-CD1 4.11Å; F106-F206 HydrophobicContact CE2-CD1 4.46Å; F106-F206 HydrophobicContact CE2-CE1 4.49Å; F106-F206 AromaticContact CZ-CD1 3.98Å; F106-F206 HydrophobicContact CZ-CD1 3.98Å; F106-F206 HydrophobicContact CZ-CE1 4.28Å; F106-V207 HydrophobicContact CB-CG2 4.34Å
107S69.4Low65.3Low1 Ų158.5 Ų58.51%0.00729%0.287CS..Hα-helixtrans-59.1-46.4174.8-56.60000111.5S103 F104 V105 V109 V110 I111 F128 A203S103-S107 VanDerWaalsContact O-CB 3.29Å; S103-S107 WeakPolarHBondContact O-CB 3.4Å; S103-S107 PolarHBondContact O-N 2.9Å; S103-S107 PolarHBondContact O-OG 3.31Å; F104-S107 PolarHBondContact O-N 2.85Å; V105-S107 PolarHBondContact O-N 3.05Å; S107-V109 PolarHBondContact O-N 3.42Å; S107-V110 PolarHBondContact O-N 3.22Å; S107-I111 WeakPolarHBondContact O-CD1 3.2Å; S107-I111 VanDerWaalsContact O-CG1 3.29Å; S107-I111 WeakPolarHBondContact O-CG1 3.15Å; S107-I111 PolarHBondContact O-N 3.49Å; S107-F128 WeakPolarHBondContact OG-CE2 3.49Å; S107-A203 WeakPolarHBondContact OG-CB 3.09Å
108T67.2Low64.5Low35 Ų3557 Ų5722%0.21528%0.279CS..Hα-helixtrans-61.9-42.9179.9-54.90000111.7F104 V105 F106 I111 H112 L118F104-T108 WeakPolarHBondContact O-CB 3.28Å; F104-T108 PolarHBondContact O-N 3.04Å; F104-T108 PolarHBondContact O-OG1 3.3Å; V105-T108 PolarHBondContact O-N 2.86Å; F106-T108 PolarHBondContact O-N 3.43Å; T108-I111 PolarHBondContact O-N 3.49Å; T108-H112 WeakPolarHBondContact O-CB 3.48Å; T108-H112 PolarHBondContact O-N 3.35Å; T108-L118 HydrophobicContact CG2-CD2 4.31Å
109V65.4Low63.5Low12 Ų1256.9 Ų56.97%0.07329%0.286CS..Hα-helixtrans-64.5-44.2175.5172.10000111.6T28 M31 M32 V105 F106 S107 I111 H112 F113T28-V109 HydrophobicContact CG2-CG2 4.14Å; M31-V109 HydrophobicContact CB-CG1 3.72Å; M32-V109 HydrophobicContact CB-CG1 4.13Å; M32-V109 HydrophobicContact CB-CG2 3.97Å; M32-V109 HydrophobicContact CG-CG2 4.21Å; M32-V109 HydrophobicContact SD-CG2 4.27Å; V105-V109 WeakPolarHBondContact O-CG2 3.43Å; V105-V109 PolarHBondContact O-N 2.73Å; F106-V109 PolarHBondContact O-N 2.67Å; S107-V109 PolarHBondContact O-N 3.42Å; V109-I111 VanDerWaalsContact C-N 3.31Å; V109-I111 PolarHBondContact O-N 3.45Å; V109-H112 PolarHBondContact O-N 3.06Å; V109-F113 PolarHBondContact O-N 3.12Å
110V63.8Low62.7Low18 Ų1858 Ų5811%0.10930%0.299CS..Hα-helixtrans-64.7-33.8179167.30000112.3F106 S107 L114 M199F106-V110 HydrophobicContact CD1-CG2 3.98Å; F106-V110 HydrophobicContact CE1-CG2 3.72Å; F106-V110 HydrophobicContact CZ-CG2 4.05Å; F106-V110 WeakPolarHBondContact O-CB 3.4Å; F106-V110 VanDerWaalsContact O-CG2 3.29Å; F106-V110 WeakPolarHBondContact O-CG2 3.47Å; F106-V110 PolarHBondContact O-N 2.88Å; S107-V110 PolarHBondContact O-N 3.22Å; V110-L114 WeakPolarHBondContact O-CG 3.44Å; V110-M199 HydrophobicContact CG1-CB 4.29Å; V110-M199 HydrophobicContact CG1-CE 3.38Å
111I64.1Low62Low22 Ų2259 Ų5911%0.11330%0.304CS..Hα-helixtrans-72-43.6175.3-68.6156.9000111S107 T108 V109 F113 L114 F196 M199S107-I111 WeakPolarHBondContact O-CD1 3.2Å; S107-I111 VanDerWaalsContact O-CG1 3.29Å; S107-I111 WeakPolarHBondContact O-CG1 3.15Å; S107-I111 PolarHBondContact O-N 3.49Å; T108-I111 PolarHBondContact O-N 3.49Å; V109-I111 VanDerWaalsContact C-N 3.31Å; V109-I111 PolarHBondContact O-N 3.45Å; I111-F113 PolarHBondContact O-N 3.12Å; I111-L114 PolarHBondContact O-N 2.79Å; I111-F196 HydrophobicContact CD1-CD2 3.29Å; I111-F196 HydrophobicContact CD1-CE2 3.4Å; I111-F196 VanDerWaalsContact CD1-CE2 3.4Å; I111-F196 HydrophobicContact CD1-CG 4.02Å; I111-F196 HydrophobicContact CD1-CZ 4.24Å; I111-F196 HydrophobicContact CG1-CD2 4.49Å; I111-M199 HydrophobicContact CG1-CB 4.24Å
112H62.5Low61.2Low104 Ų10458.6 Ų58.648%0.48131%0.308SS..Hα-helixtrans-64.9-24.6175.4-166.7-53.5000112.5N35 T108 V109 L114 L118N35-H112 PolarHBondContact ND2-O 3.01Å; T108-H112 WeakPolarHBondContact O-CB 3.48Å; T108-H112 PolarHBondContact O-N 3.35Å; V109-H112 PolarHBondContact O-N 3.06Å; H112-L114 VanDerWaalsContact C-N 3.3Å; H112-L118 HydrophobicContact CB-CD1 4.45Å
113F60.6Low60.8Low93 Ų9361.7 Ų61.741%0.40832%0.32SS..Hα-helixtrans-70.8-23.7172.8-173.5-103000113.2M31 N35 V109 I111M31-F113 HydrophobicContact CE-CD1 4.47Å; M31-F113 HydrophobicContact CE-CG 4.38Å; N35-F113 WeakPolarHBondContact OD1-CD2 3.31Å; V109-F113 PolarHBondContact O-N 3.12Å; I111-F113 PolarHBondContact O-N 3.12Å
114L58.8Low60.3Low86 Ų8662 Ų6245%0.4532%0.323SS..THydrogen-bonded Turntrans-9717.8-175.5-67.6173000114.3V110 I111 H112 K116 M199V110-L114 WeakPolarHBondContact O-CG 3.44Å; I111-L114 PolarHBondContact O-N 2.79Å; H112-L114 VanDerWaalsContact C-N 3.3Å; L114-K116 VanDerWaalsContact C-N 3.26Å; L114-K116 PolarHBondContact O-N 3.31Å; L114-K116 VanDerWaalsContact O-N 3.14Å; L114-M199 HydrophobicContact CD1-CE 3.88Å; L114-M199 HydrophobicContact CD1-CG 4.13Å; L114-M199 HydrophobicContact CD1-SD 4.04Å
115D52.6Low59.9Low125 Ų12562.3 Ų62.367%0.66833%0.326SS*.THydrogen-bonded Turntrans54.732.5169.2-14130.6000115.3
116K54.7Low59.6Low108 Ų10859.9 Ų59.947%0.4731%0.312SS..  trans-102.8136.4173.9-67.9-169.2176.6-171.90111.4L114 L118 C195L114-K116 VanDerWaalsContact C-N 3.26Å; L114-K116 PolarHBondContact O-N 3.31Å; L114-K116 VanDerWaalsContact O-N 3.14Å; K116-L118 PolarHBondContact O-N 3.4Å; K116-C195 PolarHBondContact NZ-SG 2.96Å
117E53.7Low59.5Low113 Ų11363 Ų6353%0.52833%0.326SS..  trans-57130.2177.5-66.5178.215000111K42 T119K42-E117 IonicContact NZ-OE1 3.62Å; E117-T119 HydrophobicContact CB-CG2 4.47Å; E117-T119 PolarHBondContact O-N 2.74Å
118L52.6Low59.5Low73 Ų7363.1 Ų63.138%0.38233%0.326SS..  trans-78.123.5179.1-77.5107.8000114.1T108 H112 K116 G120 L121T108-L118 HydrophobicContact CG2-CD2 4.31Å; H112-L118 HydrophobicContact CB-CD1 4.45Å; K116-L118 PolarHBondContact O-N 3.4Å; L118-G120 PolarHBondContact O-N 2.92Å; L118-L121 HydrophobicContact CD2-CD2 4.19Å; L118-L121 PolarHBondContact O-N 3.5Å
119T47Very low59.4Low98 Ų9863.1 Ų63.160%0.60132%0.324SS*.THydrogen-bonded Turntrans-64.4115.6172.744.20000110E117E117-T119 HydrophobicContact CB-CG2 4.47Å; E117-T119 PolarHBondContact O-N 2.74Å
120G52.9Low59.5Low27 Ų2765.4 Ų65.428%0.27834%0.336SS..THydrogen-bonded Turntrans105.15.4179.500000116.5L118 N122 E123 A124L118-G120 PolarHBondContact O-N 2.92Å; G120-N122 PolarHBondContact O-N 2.78Å; G120-N122 VanDerWaalsContact O-N 3.15Å; G120-E123 WeakPolarHBondContact O-CB 3.49Å; G120-E123 PolarHBondContact O-N 3.49Å; G120-A124 PolarHBondContact O-N 3.07Å
121L55.8Low59.7Low42 Ų4266.8 Ų66.822%0.2234%0.343CS..Hα-helixtrans-55-36.7-178.8-173.965.5000113.6L118 E123 A124 L125 F196L118-L121 HydrophobicContact CD2-CD2 4.19Å; L118-L121 PolarHBondContact O-N 3.5Å; L121-E123 VanDerWaalsContact C-N 3.27Å; L121-E123 PolarHBondContact O-N 2.91Å; L121-A124 PolarHBondContact O-N 3.25Å; L121-L125 PolarHBondContact O-N 2.85Å; L121-L125 VanDerWaalsContact O-N 3.12Å; L121-F196 HydrophobicContact CD1-CE2 3.52Å; L121-F196 HydrophobicContact CD1-CZ 4.08Å
122N55.3Low60Low121 Ų12166.1 Ų66.165%0.64734%0.339SS*.Hα-helixtrans-72.7-15.7178.2-68.2-19.5000114.2R69 G120R69-N122 PolarHBondContact NH2-O 3.07Å; G120-N122 PolarHBondContact O-N 2.78Å; G120-N122 VanDerWaalsContact O-N 3.15Å
123E58.2Low60.2Low86 Ų8662.9 Ų62.940%0.40233%0.325SS..Hα-helixtrans-93.4-31.2173.8-66.6146-123.400111.2L65 G120 L121 P126 F127L65-E123 HydrophobicContact CD2-CG 4.11Å; G120-E123 WeakPolarHBondContact O-CB 3.49Å; G120-E123 PolarHBondContact O-N 3.49Å; L121-E123 VanDerWaalsContact C-N 3.27Å; L121-E123 PolarHBondContact O-N 2.91Å; E123-P126 VanDerWaalsContact O-CD 3.23Å; E123-P126 WeakPolarHBondContact O-CD 3.45Å; E123-F127 WeakPolarHBondContact O-CD2 3.27Å; E123-F127 WeakPolarHBondContact O-CE2 3.46Å
124A61.4Low60.5Low8 Ų858.9 Ų58.97%0.06631%0.308CS..Hα-helixtrans-77.5-28.6177.700000113.9G120 L121 P126 F127 F128 F196G120-A124 PolarHBondContact O-N 3.07Å; L121-A124 PolarHBondContact O-N 3.25Å; A124-P126 VanDerWaalsContact C-CD 3.41Å; A124-F127 WeakPolarHBondContact O-CB 3.47Å; A124-F127 PolarHBondContact O-N 3.02Å; A124-F128 PolarHBondContact O-N 3.31Å; A124-F196 HydrophobicContact CB-CD1 3.95Å; A124-F196 HydrophobicContact CB-CD2 4.22Å; A124-F196 HydrophobicContact CB-CE1 3.94Å; A124-F196 HydrophobicContact CB-CE2 4.21Å; A124-F196 HydrophobicContact CB-CG 4.14Å; A124-F196 HydrophobicContact CB-CZ 4.08Å
125L63.5Low60.8Low62 Ų6257.8 Ų57.833%0.32531%0.308SS..Hα-helixtrans-54.1-37.7-176.4-169.6151.7000115.6F104 L121 F128 L129F104-L125 HydrophobicContact CE2-CD1 3.82Å; F104-L125 HydrophobicContact CE2-CG 4.22Å; F104-L125 HydrophobicContact CZ-CD1 3.91Å; L121-L125 PolarHBondContact O-N 2.85Å; L121-L125 VanDerWaalsContact O-N 3.12Å; L125-F128 WeakPolarHBondContact O-CB 3.47Å; L125-F128 PolarHBondContact O-N 3.32Å; L125-L129 HydrophobicContact CD2-CD1 3.69Å; L125-L129 HydrophobicContact CD2-CG 4.36Å; L125-L129 WeakPolarHBondContact O-CG 3.36Å; L125-L129 PolarHBondContact O-N 2.82Å
126P64.8Low61.6Low2 Ų253.8 Ų53.81%0.01328%0.283CS..Hα-helixtrans-66.3-38.4175.4-19.734.6000112.4L65 T68 R69 E123 A124 L129 L130L65-P126 HydrophobicContact CD1-CG 4.19Å; T68-P126 HydrophobicContact CG2-CB 3.94Å; R69-P126 HydrophobicContact CG-CB 4.06Å; R69-P126 HydrophobicContact CG-CG 3.47Å; R69-P126 VanDerWaalsContact CG-CG 3.47Å; E123-P126 VanDerWaalsContact O-CD 3.23Å; E123-P126 WeakPolarHBondContact O-CD 3.45Å; A124-P126 VanDerWaalsContact C-CD 3.41Å; P126-L129 PolarHBondContact O-N 3.35Å; P126-L130 WeakPolarHBondContact O-CG 3.46Å; P126-L130 PolarHBondContact O-N 3.31Å
127F65.5Low62.3Low88 Ų8848.7 Ų48.739%0.38626%0.262SS..Hα-helixtrans-69.5-38.1177.1-58.8-83.8000111.4T68 E123 A124 L129 L130 L131 M193T68-F127 HydrophobicContact CG2-CE1 4.27Å; T68-F127 HydrophobicContact CG2-CZ 4.26Å; E123-F127 WeakPolarHBondContact O-CD2 3.27Å; E123-F127 WeakPolarHBondContact O-CE2 3.46Å; A124-F127 WeakPolarHBondContact O-CB 3.47Å; A124-F127 PolarHBondContact O-N 3.02Å; F127-L129 VanDerWaalsContact C-N 3.3Å; F127-L129 PolarHBondContact O-N 3.4Å; F127-L130 PolarHBondContact O-N 3.49Å; F127-L131 WeakPolarHBondContact O-CG 3.28Å; F127-L131 PolarHBondContact O-N 2.92Å; F127-M193 HydrophobicContact CD2-CE 3.75Å; F127-M193 HydrophobicContact CE2-CE 3.55Å; F127-M193 HydrophobicContact CG-CE 4.45Å; F127-M193 HydrophobicContact CZ-CE 4.1Å
128F68.5Low62.9Low2 Ų244.3 Ų44.31%0.00924%0.244CC..Hα-helixtrans-52.7-47.9170.2-179.7-100.1000112.1F104 S107 A124 L125 L130 L131 I132 F196 S200F104-F128 VanDerWaalsContact CA-CZ 3.46Å; F104-F128 HydrophobicContact CB-CE1 3.69Å; F104-F128 HydrophobicContact CB-CZ 3.94Å; F104-F128 AromaticContact CD2-CD1 3.87Å; F104-F128 HydrophobicContact CD2-CD1 3.87Å; F104-F128 AromaticContact CD2-CE1 3.73Å; F104-F128 HydrophobicContact CD2-CE1 3.73Å; F104-F128 HydrophobicContact CD2-CG 4.48Å; F104-F128 HydrophobicContact CD2-CZ 4.25Å; F104-F128 HydrophobicContact CG-CE1 4.21Å; S107-F128 WeakPolarHBondContact OG-CE2 3.49Å; A124-F128 PolarHBondContact O-N 3.31Å; L125-F128 WeakPolarHBondContact O-CB 3.47Å; L125-F128 PolarHBondContact O-N 3.32Å; F128-L130 VanDerWaalsContact C-N 3.31Å; F128-L130 PolarHBondContact O-N 2.89Å; F128-L131 PolarHBondContact O-N 3.39Å; F128-I132 HydrophobicContact CD1-CD1 4.05Å; F128-I132 HydrophobicContact CE1-CD1 3.36Å; F128-I132 HydrophobicContact CE1-CG1 4.35Å; F128-I132 HydrophobicContact CZ-CD1 3.63Å; F128-I132 HydrophobicContact CZ-CG1 4.4Å; F128-I132 PolarHBondContact O-N 2.87Å; F128-F196 HydrophobicContact CB-CE1 4.03Å; F128-F196 HydrophobicContact CB-CZ 4.47Å; F128-F196 HydrophobicContact CD2-CE1 4.08Å; F128-F196 HydrophobicContact CD2-CZ 4.35Å; F128-F196 HydrophobicContact CG-CE1 4.47Å; F128-S200 WeakPolarHBondContact CD2-OG 3.36Å
129L66.7Low63.7Low35 Ų3541.5 Ų41.518%0.18323%0.23CC..Hα-helixtrans-70.7-23.4-178.7-68.5175.2000113.8A72 I76 I100 L125 P126 F127A72-L129 HydrophobicContact CB-CB 4.26Å; I76-L129 HydrophobicContact CD1-CB 4.13Å; I76-L129 HydrophobicContact CD1-CD1 3.92Å; I76-L129 HydrophobicContact CD1-CD2 4.03Å; I76-L129 HydrophobicContact CD1-CG 4.24Å; I100-L129 HydrophobicContact CG2-CD2 4.06Å; L125-L129 HydrophobicContact CD2-CD1 3.69Å; L125-L129 HydrophobicContact CD2-CG 4.36Å; L125-L129 WeakPolarHBondContact O-CG 3.36Å; L125-L129 PolarHBondContact O-N 2.82Å; P126-L129 PolarHBondContact O-N 3.35Å; F127-L129 VanDerWaalsContact C-N 3.3Å; F127-L129 PolarHBondContact O-N 3.4Å
130L66.8Low64.9Low60 Ų6037 Ų3731%0.31420%0.203SC..Hα-helixtrans-81.1-27.4172.7-68.7169.1000112.7T68 I71 A72 Y75 P126 F127 F128 I132T68-L130 HydrophobicContact CG2-CD1 4.07Å; I71-L130 HydrophobicContact CG2-CD2 4.37Å; A72-L130 HydrophobicContact CB-CD2 4.24Å; A72-L130 HydrophobicContact CB-CG 4.17Å; Y75-L130 HydrophobicContact CD1-CD2 4.21Å; Y75-L130 HydrophobicContact CG-CD2 4.39Å; P126-L130 WeakPolarHBondContact O-CG 3.46Å; P126-L130 PolarHBondContact O-N 3.31Å; F127-L130 PolarHBondContact O-N 3.49Å; F128-L130 VanDerWaalsContact C-N 3.31Å; F128-L130 PolarHBondContact O-N 2.89Å; L130-I132 VanDerWaalsContact C-N 3.34Å
131L68.8Low65.8Low48 Ų4835.8 Ų35.825%0.25119%0.19SC..Hα-helixtrans-81.8-8174.6-68172.4000113.6F127 F128 I179 V201F127-L131 WeakPolarHBondContact O-CG 3.28Å; F127-L131 PolarHBondContact O-N 2.92Å; F128-L131 PolarHBondContact O-N 3.39Å; L131-I179 HydrophobicContact CD1-CD1 3.94Å; L131-I179 HydrophobicContact CD2-CD1 3.83Å; L131-V201 HydrophobicContact CD1-CG2 4.49Å
132I70.2Confident66.5Low8 Ų836.5 Ų36.54%0.04119%0.192CC..  trans-84.3123.5169.9-69.7177.5000109.6Y75 I100 F128 L130 L134Y75-I132 WeakPolarHBondContact CE1-O 3.45Å; Y75-I132 PolarHBondContact OH-O 2.95Å; I100-I132 HydrophobicContact CG1-CG2 4.42Å; I100-I132 HydrophobicContact CG2-CD1 4.09Å; F128-I132 HydrophobicContact CD1-CD1 4.05Å; F128-I132 HydrophobicContact CE1-CD1 3.36Å; F128-I132 HydrophobicContact CE1-CG1 4.35Å; F128-I132 HydrophobicContact CZ-CD1 3.63Å; F128-I132 HydrophobicContact CZ-CG1 4.4Å; F128-I132 PolarHBondContact O-N 2.87Å; L130-I132 VanDerWaalsContact C-N 3.34Å; I132-L134 HydrophobicContact CG2-CD2 3.72Å; I132-L134 HydrophobicContact CG2-CG 3.98Å
133D65.9Low67.2Low36 Ų3632.1 Ų32.119%0.19317%0.167CC..  trans-117.997177.6175.914.7000111S135 R136D133-S135 VanDerWaalsContact C-N 3.26Å; D133-S135 PolarHBondContact O-N 3.04Å; D133-S135 WeakPolarHBondContact OD1-CB 3.49Å; D133-S135 PolarHBondContact OD1-N 3.05Å; D133-S135 PolarHBondContact OD1-OG 3.04Å; D133-S135 PolarHBondContact OD2-OG 3.41Å; D133-R136 HydrophobicContact CB-CG 4.44Å; D133-R136 WeakPolarHBondContact OD2-CG 3.45Å; D133-R136 IonicContact OD2-CZ 2.69Å; D133-R136 IonicContact OD2-NE 3.6Å; D133-R136 PolarHBondContact OD2-NE 3.11Å; D133-R136 IonicContact OD2-NH2 3.69Å; D133-R136 PolarHBondContact OD2-NH2 3.15Å
134L66.5Low67.8Low8 Ų828 Ų284%0.04215%0.148CC..THydrogen-bonded Turntrans-80.9-0.3176.9-48.4169.4000112.7Q79 L83 I100 I132 R136 A137 S138Q79-L134 HydrophobicContact CB-CD1 4.4Å; L83-L134 HydrophobicContact CD1-CB 4.44Å; L83-L134 HydrophobicContact CD1-CD1 4.4Å; I100-L134 HydrophobicContact CD1-CD1 3.84Å; I100-L134 HydrophobicContact CG1-CD1 4.1Å; I100-L134 HydrophobicContact CG1-CD2 4.1Å; I132-L134 HydrophobicContact CG2-CD2 3.72Å; I132-L134 HydrophobicContact CG2-CG 3.98Å; L134-R136 PolarHBondContact O-N 3.35Å; L134-A137 HydrophobicContact CB-CB 4.44Å; L134-A137 WeakPolarHBondContact O-CB 3.42Å; L134-A137 PolarHBondContact O-N 3.03Å; L134-A137 VanDerWaalsContact O-N 3.13Å; L134-S138 PolarHBondContact O-N 3.07Å
135S64.7Low68.1Low64 Ų6429.6 Ų29.645%0.44815%0.154SC..Hα-helixtrans-64.1-33.7170.277.10000110.7D133 A137 S138 A139D133-S135 VanDerWaalsContact C-N 3.26Å; D133-S135 PolarHBondContact O-N 3.04Å; D133-S135 WeakPolarHBondContact OD1-CB 3.49Å; D133-S135 PolarHBondContact OD1-N 3.05Å; D133-S135 PolarHBondContact OD1-OG 3.04Å; D133-S135 PolarHBondContact OD2-OG 3.41Å; S135-A137 VanDerWaalsContact C-N 3.29Å; S135-A137 PolarHBondContact O-N 3.24Å; S135-S138 PolarHBondContact O-N 3.19Å; S135-S138 PolarHBondContact O-OG 3.21Å; S135-A139 PolarHBondContact O-N 2.67Å
136R70.3Confident68.2Low40 Ų4027.5 Ų27.515%0.15115%0.145CC..Hα-helixtrans-59-40.5171.8-50.7-179.1-163.1176.810.8111D133 L134 L140 F168 E175 F208D133-R136 HydrophobicContact CB-CG 4.44Å; D133-R136 WeakPolarHBondContact OD2-CG 3.45Å; D133-R136 IonicContact OD2-CZ 2.69Å; D133-R136 IonicContact OD2-NE 3.6Å; D133-R136 PolarHBondContact OD2-NE 3.11Å; D133-R136 IonicContact OD2-NH2 3.69Å; D133-R136 PolarHBondContact OD2-NH2 3.15Å; L134-R136 PolarHBondContact O-N 3.35Å; R136-L140 PolarHBondContact O-N 2.81Å; R136-F168 HydrophobicContact CB-CD1 4.27Å; R136-F168 HydrophobicContact CB-CD2 4.41Å; R136-F168 HydrophobicContact CB-CE1 3.84Å; R136-F168 HydrophobicContact CB-CE2 3.96Å; R136-F168 HydrophobicContact CB-CZ 3.66Å; R136-F168 HydrophobicContact CG-CD1 4.02Å; R136-F168 HydrophobicContact CG-CE1 3.76Å; R136-F168 HydrophobicContact CG-CZ 4.14Å; R136-E175 IonicContact CZ-OE2 3.86Å; R136-E175 IonicContact NH1-OE2 3.78Å; R136-E175 PolarHBondContact NH1-OE2 3.32Å; R136-E175 IonicContact NH2-OE1 3.18Å; R136-E175 IonicContact NH2-OE2 2.83Å; R136-E175 PolarHBondContact NH2-OE2 3.04Å; R136-F208 HydrophobicContact CB-CE1 4.4Å; R136-F208 HydrophobicContact CB-CE2 4.39Å; R136-F208 HydrophobicContact CB-CZ 4.12Å; R136-F208 WeakPolarHBondContact O-CZ 3.17Å
137A69.4Low68.1Low2 Ų227.9 Ų27.92%0.01715%0.148CC..Hα-helixtrans-68.7-41.1174.600000113.5L134 S135 A139 L140 A141 F208 F212L134-A137 HydrophobicContact CB-CB 4.44Å; L134-A137 WeakPolarHBondContact O-CB 3.42Å; L134-A137 PolarHBondContact O-N 3.03Å; L134-A137 VanDerWaalsContact O-N 3.13Å; S135-A137 VanDerWaalsContact C-N 3.29Å; S135-A137 PolarHBondContact O-N 3.24Å; A137-A139 VanDerWaalsContact C-N 3.31Å; A137-A139 PolarHBondContact O-N 3.13Å; A137-L140 PolarHBondContact O-N 3.43Å; A137-A141 WeakPolarHBondContact O-CB 3.14Å; A137-A141 PolarHBondContact O-N 2.87Å; A137-F208 VanDerWaalsContact CA-CE2 3.47Å; A137-F208 HydrophobicContact CB-CE2 3.75Å; A137-F212 HydrophobicContact CB-CD1 4.31Å; A137-F212 HydrophobicContact CB-CE1 3.71Å; A137-F212 HydrophobicContact CB-CE2 4.04Å; A137-F212 HydrophobicContact CB-CZ 3.55Å
138S65.3Low67.9Low21 Ų2129.2 Ų29.215%0.14716%0.159CC..Hα-helixtrans-61-41.2176.495.30000111.4L134 S135 A141 K142L134-S138 PolarHBondContact O-N 3.07Å; S135-S138 PolarHBondContact O-N 3.19Å; S135-S138 PolarHBondContact O-OG 3.21Å; S138-A141 PolarHBondContact O-N 3.36Å; S138-K142 WeakPolarHBondContact O-CG 3.02Å; S138-K142 PolarHBondContact O-N 2.83Å
139A70.1Confident67.8Low13 Ų1331.9 Ų31.911%0.10718%0.178CC..Hα-helixtrans-64.4-42.8178.300000113.1S135 A137 F143 L164 F168S135-A139 PolarHBondContact O-N 2.67Å; A137-A139 VanDerWaalsContact C-N 3.31Å; A137-A139 PolarHBondContact O-N 3.13Å; A139-F143 WeakPolarHBondContact O-CD2 3.38Å; A139-L164 HydrophobicContact CB-CD1 3.94Å; A139-F168 HydrophobicContact CB-CZ 4.48Å
140L73.1Confident67.5Low4 Ų433 Ų332%0.02118%0.182CC..Hα-helixtrans-70.4-35.8175.8-174.664.4000111.9R136 A137 K142 F143 A144 M161 L164 F208 F212 P213R136-L140 PolarHBondContact O-N 2.81Å; A137-L140 PolarHBondContact O-N 3.43Å; L140-K142 VanDerWaalsContact C-N 3.33Å; L140-K142 PolarHBondContact O-N 2.89Å; L140-F143 PolarHBondContact O-N 3.14Å; L140-A144 PolarHBondContact O-N 3.29Å; L140-M161 HydrophobicContact CD1-CG 4.07Å; L140-M161 HydrophobicContact CD1-SD 4.08Å; L140-M161 HydrophobicContact CD2-CG 4.45Å; L140-M161 HydrophobicContact CD2-SD 3.68Å; L140-L164 HydrophobicContact CB-CD1 4.37Å; L140-F208 HydrophobicContact CB-CZ 4.33Å; L140-F208 HydrophobicContact CD2-CZ 4.27Å; L140-F212 HydrophobicContact CB-CE1 4.27Å; L140-F212 HydrophobicContact CD2-CD1 4.11Å; L140-F212 HydrophobicContact CD2-CE1 4.17Å; L140-P213 HydrophobicContact CD2-CB 4.15Å; L140-P213 HydrophobicContact CD2-CG 3.88Å
141A71.3Confident67.5Low1 Ų136 Ų361%0.00820%0.198CC..Hα-helixtrans-64-34.4176.200000113L92 A137 S138 F143 A144 L145L92-A141 HydrophobicContact CD1-CB 3.53Å; L92-A141 HydrophobicContact CD2-CB 4Å; L92-A141 HydrophobicContact CG-CB 4.45Å; A137-A141 WeakPolarHBondContact O-CB 3.14Å; A137-A141 PolarHBondContact O-N 2.87Å; S138-A141 PolarHBondContact O-N 3.36Å; A141-F143 VanDerWaalsContact C-N 3.26Å; A141-F143 PolarHBondContact O-N 3.19Å; A141-A144 PolarHBondContact O-N 2.99Å; A141-L145 WeakPolarHBondContact O-CB 3.39Å; A141-L145 WeakPolarHBondContact O-CG 3.42Å; A141-L145 PolarHBondContact O-N 2.66Å
142K70.3Confident67.7Low58 Ų5836.5 Ų36.525%0.25220%0.2SC..Hα-helixtrans-52.7-42.7171.9-72.6178.6-177.3-173.60111.7L86 S138 L140 S146 E246L86-K142 HydrophobicContact CD1-CG 4.31Å; L86-K142 HydrophobicContact CD2-CG 4.24Å; S138-K142 WeakPolarHBondContact O-CG 3.02Å; S138-K142 PolarHBondContact O-N 2.83Å; L140-K142 VanDerWaalsContact C-N 3.33Å; L140-K142 PolarHBondContact O-N 2.89Å; K142-S146 PolarHBondContact O-N 2.73Å; K142-E246 IonicContact NZ-OE2 2.62Å; K142-E246 PolarHBondContact NZ-OE2 3.19Å
143F70.3Confident68Low29 Ų2936.3 Ų36.313%0.12720%0.199CC..Hα-helixtrans-69.9-38.4178-71-73.7000113.2A139 L140 A141 L145 S146 N156 L164A139-F143 WeakPolarHBondContact O-CD2 3.38Å; L140-F143 PolarHBondContact O-N 3.14Å; A141-F143 VanDerWaalsContact C-N 3.26Å; A141-F143 PolarHBondContact O-N 3.19Å; F143-L145 VanDerWaalsContact C-N 3.34Å; F143-S146 PolarHBondContact O-OG 2.75Å; F143-N156 VanDerWaalsContact O-CB 3.25Å; F143-N156 WeakPolarHBondContact O-CB 3.29Å; F143-L164 HydrophobicContact CD2-CD1 4.2Å; F143-L164 HydrophobicContact CE2-CD1 3.93Å; F143-L164 HydrophobicContact CE2-CG 4.23Å
144A69.8Low68.8Low0 Ų037 Ų370%020%0.199CC..Hα-helixtrans-65.4-40176.700000111.9L140 A141 S146 S147 I157 V216 L220L140-A144 PolarHBondContact O-N 3.29Å; A141-A144 PolarHBondContact O-N 2.99Å; A144-S146 VanDerWaalsContact C-N 3.34Å; A144-S146 PolarHBondContact O-N 2.86Å; A144-S147 PolarHBondContact O-OG 3.43Å; A144-I157 HydrophobicContact CB-CD1 4.05Å; A144-I157 HydrophobicContact CB-CG1 3.78Å; A144-V216 HydrophobicContact CB-CG1 3.51Å; A144-L220 HydrophobicContact CB-CD1 3.71Å
145L68.4Low69.5Low40 Ų4039.5 Ų39.521%0.20921%0.21CC..Hα-helixtrans-76.5-11-177.5-68.8169.2000114.8L92 A141 F143 S147 L220L92-L145 HydrophobicContact CD2-CD1 4.5Å; A141-L145 WeakPolarHBondContact O-CB 3.39Å; A141-L145 WeakPolarHBondContact O-CG 3.42Å; A141-L145 PolarHBondContact O-N 2.66Å; F143-L145 VanDerWaalsContact C-N 3.34Å; L145-S147 VanDerWaalsContact C-N 3.3Å; L145-L220 HydrophobicContact CD2-CD2 3.99Å
146S65.9Low70.3Confident18 Ų1837.5 Ų37.513%0.12619%0.194CC..THydrogen-bonded Turntrans-82.9-1.8177.366.80000114.4K142 F143 A144 N156K142-S146 PolarHBondContact O-N 2.73Å; F143-S146 PolarHBondContact O-OG 2.75Å; A144-S146 VanDerWaalsContact C-N 3.34Å; A144-S146 PolarHBondContact O-N 2.86Å; S146-N156 PolarHBondContact OG-ND2 2.85Å
147S63.3Low70.8Confident10 Ų1035.6 Ų35.67%0.0719%0.187CC..  trans-86.4135.7-173.860.80000114.2A144 L145 V153 R224A144-S147 PolarHBondContact O-OG 3.43Å; L145-S147 VanDerWaalsContact C-N 3.3Å; S147-V153 WeakPolarHBondContact OG-CG2 3.26Å; S147-R224 PolarHBondContact O-NH2 3.35Å
148N61.3Low71.6Confident117 Ų11735.5 Ų35.563%0.62619%0.186SC*.SBendtrans-93.4-22.4177.5-60.1-75.6000113.1E152N148-E152 WeakPolarHBondContact CA-OE2 3.38Å; N148-E152 PolarHBondContact N-OE2 2.92Å
149S64.6Low72.3Confident58 Ų5841 Ų4141%0.40620%0.204SC..SBendtrans-124.6171.9-179.861.70000112.5E152 V153 R224S149-E152 PolarHBondContact N-OE2 3.32Å; S149-E152 WeakPolarHBondContact OG-CB 3.42Å; S149-E152 PolarHBondContact OG-OE2 3.37Å; S149-V153 PolarHBondContact O-N 3.02Å; S149-R224 VanDerWaalsContact C-NH1 3.33Å; S149-R224 PolarHBondContact O-NH1 3.31Å
150Q61.5Low72.7Confident58 Ų5840.4 Ų40.427%0.27120%0.199SC..Hα-helixtrans-75.6-45.1-177-69.1-68.25000113.2E152 V153 R224Q150-E152 PolarHBondContact O-N 3.03Å; Q150-V153 VanDerWaalsContact O-CB 3.29Å; Q150-V153 WeakPolarHBondContact O-CB 3.47Å; Q150-V153 PolarHBondContact O-N 3.1Å; Q150-R224 VanDerWaalsContact CD-CD 3.49Å
151D65.4Low73.3Confident122 Ų12240.3 Ų40.365%0.65220%0.199SC*.Hα-helixtrans-65-29.8179.2-56.6-51.9000111.7R154 E155D151-R154 PolarHBondContact O-N 2.97Å; D151-E155 PolarHBondContact O-N 2.93Å
152E74.9Confident73.8Confident60 Ų6040.9 Ų40.928%0.2820%0.203SC..Hα-helixtrans-68.9-26.5172.2-172.7-177-167.600113.3N148 S149 Q150 N156N148-E152 WeakPolarHBondContact CA-OE2 3.38Å; N148-E152 PolarHBondContact N-OE2 2.92Å; S149-E152 PolarHBondContact N-OE2 3.32Å; S149-E152 WeakPolarHBondContact OG-CB 3.42Å; S149-E152 PolarHBondContact OG-OE2 3.37Å; Q150-E152 PolarHBondContact O-N 3.03Å; E152-N156 WeakPolarHBondContact O-CB 3.17Å; E152-N156 PolarHBondContact O-N 3.08Å
153V74.7Confident74.2Confident3 Ų341.2 Ų41.22%0.01821%0.207CC..Hα-helixtrans-60.6-50.9169179.20000109.1S147 S149 Q150 N156 I157 L220S147-V153 WeakPolarHBondContact OG-CG2 3.26Å; S149-V153 PolarHBondContact O-N 3.02Å; Q150-V153 VanDerWaalsContact O-CB 3.29Å; Q150-V153 WeakPolarHBondContact O-CB 3.47Å; Q150-V153 PolarHBondContact O-N 3.1Å; V153-N156 PolarHBondContact O-N 2.8Å; V153-I157 HydrophobicContact CG1-CD1 3.78Å; V153-I157 HydrophobicContact CG1-CG1 4.48Å; V153-I157 WeakPolarHBondContact O-CB 3.45Å; V153-I157 VanDerWaalsContact O-CG1 3.31Å; V153-I157 WeakPolarHBondContact O-CG1 3.36Å; V153-I157 PolarHBondContact O-N 2.88Å; V153-L220 HydrophobicContact CG1-CD1 3.98Å
154R83.5Confident74.6Confident51 Ų5140.2 Ų40.219%0.19220%0.203CC..Hα-helixtrans-65.1-44.4-174.9-63-179.2168.2114.84.7111.1L11 A14 D151 A158 E221L11-R154 HydrophobicContact CD1-CB 4.48Å; A14-R154 HydrophobicContact CB-CB 4.23Å; A14-R154 HydrophobicContact CB-CG 4.3Å; A14-R154 PolarHBondContact O-NE 2.9Å; D151-R154 PolarHBondContact O-N 2.97Å; R154-A158 WeakPolarHBondContact O-CB 3.31Å; R154-A158 PolarHBondContact O-N 3.27Å; R154-E221 IonicContact CZ-OE1 2.63Å; R154-E221 IonicContact NH1-OE1 3.36Å; R154-E221 IonicContact NH2-OE1 2.89Å; R154-E221 PolarHBondContact NH2-OE1 3.03Å; R154-E221 IonicContact NH2-OE2 3.87Å; R154-E221 PolarHBondContact NH2-OE2 3.36Å
155E81.6Confident75.2Confident61 Ų6140.2 Ų40.229%0.28520%0.203SC..Hα-helixtrans-71.9-35.5177.4-172.155.1-138.200112.8R7 D151 A158 R159R7-E155 IonicContact CZ-OE1 3.52Å; R7-E155 IonicContact NE-OE1 3.49Å; R7-E155 PolarHBondContact NE-OE1 3.46Å; R7-E155 IonicContact NH2-OE1 3.51Å; R7-E155 PolarHBondContact NH2-OE1 3.38Å; R7-E155 IonicContact NH2-OE2 3.34Å; D151-E155 PolarHBondContact O-N 2.93Å; E155-A158 PolarHBondContact O-N 2.89Å; E155-R159 VanDerWaalsContact O-CB 3.29Å; E155-R159 WeakPolarHBondContact O-CB 3.42Å; E155-R159 PolarHBondContact O-N 3.5Å
156N80.6Confident75.9Confident21 Ų2139.6 Ų39.611%0.11220%0.201CC..Hα-helixtrans-69.7-36.4174.9-74.6-4000112.3F143 S146 E152 V153 R159 G160F143-N156 VanDerWaalsContact O-CB 3.25Å; F143-N156 WeakPolarHBondContact O-CB 3.29Å; S146-N156 PolarHBondContact OG-ND2 2.85Å; E152-N156 WeakPolarHBondContact O-CB 3.17Å; E152-N156 PolarHBondContact O-N 3.08Å; V153-N156 PolarHBondContact O-N 2.8Å; N156-R159 PolarHBondContact O-N 2.85Å; N156-G160 PolarHBondContact O-N 2.96Å
157I82.1Confident76.6Confident1 Ų139.9 Ų39.91%0.00520%0.202CC..Hα-helixtrans-62-46.7170.1-69.8170000109.9A14 A144 V153 R159 G160 M161 P213 V216A14-I157 HydrophobicContact CB-CB 4.19Å; A14-I157 HydrophobicContact CB-CD1 4.33Å; A14-I157 HydrophobicContact CB-CG2 4Å; A144-I157 HydrophobicContact CB-CD1 4.05Å; A144-I157 HydrophobicContact CB-CG1 3.78Å; V153-I157 HydrophobicContact CG1-CD1 3.78Å; V153-I157 HydrophobicContact CG1-CG1 4.48Å; V153-I157 WeakPolarHBondContact O-CB 3.45Å; V153-I157 VanDerWaalsContact O-CG1 3.31Å; V153-I157 WeakPolarHBondContact O-CG1 3.36Å; V153-I157 PolarHBondContact O-N 2.88Å; I157-R159 VanDerWaalsContact C-N 3.3Å; I157-R159 PolarHBondContact O-N 2.86Å; I157-G160 PolarHBondContact O-N 3.36Å; I157-M161 HydrophobicContact CG2-CG 4.41Å; I157-M161 WeakPolarHBondContact O-CB 3.21Å; I157-M161 VanDerWaalsContact O-CG 3.27Å; I157-M161 WeakPolarHBondContact O-CG 3.47Å; I157-M161 PolarHBondContact O-N 3.34Å; I157-P213 HydrophobicContact CG2-CB 3.99Å; I157-V216 HydrophobicContact CD1-CG1 4.29Å
158A84.7Confident77.4Confident0 Ų040.6 Ų40.60%020%0.204CC..Hα-helixtrans-59.2-39.2175.700000112.6R7 L11 R154 E155 A162R7-A158 HydrophobicContact CG-CB 4.06Å; L11-A158 HydrophobicContact CB-CB 3.83Å; L11-A158 HydrophobicContact CD1-CB 4.31Å; R154-A158 WeakPolarHBondContact O-CB 3.31Å; R154-A158 PolarHBondContact O-N 3.27Å; E155-A158 PolarHBondContact O-N 2.89Å; A158-A162 WeakPolarHBondContact O-CB 3.39Å; A158-A162 PolarHBondContact O-N 2.98Å
159R80.7Confident78.5Confident136 Ų13636.4 Ų36.451%0.51318%0.183SC..Hα-helixtrans-68.8-42.4175.9-173.6179179.6-167-3.7112.3E155 N156 I157 A162 I163E155-R159 VanDerWaalsContact O-CB 3.29Å; E155-R159 WeakPolarHBondContact O-CB 3.42Å; E155-R159 PolarHBondContact O-N 3.5Å; N156-R159 PolarHBondContact O-N 2.85Å; I157-R159 VanDerWaalsContact C-N 3.3Å; I157-R159 PolarHBondContact O-N 2.86Å; R159-A162 WeakPolarHBondContact O-CB 3.3Å; R159-A162 PolarHBondContact O-N 3.11Å; R159-I163 HydrophobicContact CG-CD1 4.24Å; R159-I163 WeakPolarHBondContact O-CG1 3.36Å; R159-I163 PolarHBondContact O-N 3.15Å
160G79.7Confident79.3Confident0 Ų034.5 Ų34.50%017%0.168CC..Hα-helixtrans-60.1-47.6173.500000111.6N156 I157 A162 I163 L164N156-G160 PolarHBondContact O-N 2.96Å; I157-G160 PolarHBondContact O-N 3.36Å; G160-A162 VanDerWaalsContact C-N 3.32Å; G160-A162 PolarHBondContact O-N 3.13Å; G160-I163 PolarHBondContact O-N 2.79Å; G160-L164 WeakPolarHBondContact O-CB 3.3Å; G160-L164 PolarHBondContact O-N 2.93Å
161M84.1Confident80.1Confident3 Ų333.2 Ų33.22%0.01516%0.163CC..Hα-helixtrans-60.2-38.8174.3-67.9-67.1-83.400112.3F6 L140 I157 I163 G165 M209 P213F6-M161 WeakPolarHBondContact CB-O 3.26Å; L140-M161 HydrophobicContact CD1-CG 4.07Å; L140-M161 HydrophobicContact CD1-SD 4.08Å; L140-M161 HydrophobicContact CD2-CG 4.45Å; L140-M161 HydrophobicContact CD2-SD 3.68Å; I157-M161 HydrophobicContact CG2-CG 4.41Å; I157-M161 WeakPolarHBondContact O-CB 3.21Å; I157-M161 VanDerWaalsContact O-CG 3.27Å; I157-M161 WeakPolarHBondContact O-CG 3.47Å; I157-M161 PolarHBondContact O-N 3.34Å; M161-I163 VanDerWaalsContact C-N 3.28Å; M161-I163 PolarHBondContact O-N 3.31Å; M161-G165 VanDerWaalsContact O-CA 3.26Å; M161-G165 WeakPolarHBondContact O-CA 3.23Å; M161-G165 PolarHBondContact O-N 3.4Å; M161-M209 HydrophobicContact CE-SD 3.64Å; M161-M209 HydrophobicContact SD-SD 4.44Å; M161-P213 HydrophobicContact CE-CG 4.11Å; M161-P213 HydrophobicContact SD-CG 4.17Å
162A81.8Confident81Confident13 Ų1327.6 Ų27.611%0.10713%0.134CC..Hα-helixtrans-63.8-29.1177.600000114.3S3 R7 A158 R159 G160S3-A162 WeakPolarHBondContact CB-O 3.45Å; S3-A162 PolarHBondContact OG-O 3.43Å; S3-A162 VanDerWaalsContact OG-O 3.08Å; R7-A162 HydrophobicContact CB-CB 3.82Å; R7-A162 HydrophobicContact CG-CB 4.3Å; A158-A162 WeakPolarHBondContact O-CB 3.39Å; A158-A162 PolarHBondContact O-N 2.98Å; R159-A162 WeakPolarHBondContact O-CB 3.3Å; R159-A162 PolarHBondContact O-N 3.11Å; G160-A162 VanDerWaalsContact C-N 3.32Å; G160-A162 PolarHBondContact O-N 3.13Å
163I78.8Confident81.4Confident65 Ų6529.1 Ų29.133%0.33314%0.143SC..Hα-helixtrans-93.1-52.9-177.8-64.2166.6000110.7R159 G160 M161R159-I163 HydrophobicContact CG-CD1 4.24Å; R159-I163 WeakPolarHBondContact O-CG1 3.36Å; R159-I163 PolarHBondContact O-N 3.15Å; G160-I163 PolarHBondContact O-N 2.79Å; M161-I163 VanDerWaalsContact C-N 3.28Å; M161-I163 PolarHBondContact O-N 3.31Å
164L79.6Confident81.7Confident8 Ų829.8 Ų29.84%0.04215%0.147CC..Hα-helixtrans-80.2-37.1-174.2-60.7178.2000112.7A139 L140 F143 G160 T167 F168A139-L164 HydrophobicContact CB-CD1 3.94Å; L140-L164 HydrophobicContact CB-CD1 4.37Å; F143-L164 HydrophobicContact CD2-CD1 4.2Å; F143-L164 HydrophobicContact CE2-CD1 3.93Å; F143-L164 HydrophobicContact CE2-CG 4.23Å; G160-L164 WeakPolarHBondContact O-CB 3.3Å; G160-L164 PolarHBondContact O-N 2.93Å; L164-T167 WeakPolarHBondContact O-CB 3.44Å; L164-T167 PolarHBondContact O-N 3.44Å; L164-F168 HydrophobicContact CB-CD2 3.98Å; L164-F168 HydrophobicContact CB-CE2 3.56Å; L164-F168 HydrophobicContact CB-CZ 3.95Å; L164-F168 HydrophobicContact CD1-CE2 3.94Å; L164-F168 HydrophobicContact CD1-CZ 4.05Å; L164-F168 HydrophobicContact CD2-CZ 4.32Å; L164-F168 HydrophobicContact CG-CE2 4.28Å; L164-F168 HydrophobicContact CG-CZ 4.34Å; L164-F168 PolarHBondContact O-N 3.13Å
165G82.4Confident81.6Confident0 Ų029.3 Ų29.30%015%0.147CC..Hα-helixtrans-47.9-56.4-172.900000114.3M161 T167 F168 T169M161-G165 VanDerWaalsContact O-CA 3.26Å; M161-G165 WeakPolarHBondContact O-CA 3.23Å; M161-G165 PolarHBondContact O-N 3.4Å; G165-T167 PolarHBondContact O-N 2.87Å; G165-T167 VanDerWaalsContact O-N 3.15Å; G165-F168 PolarHBondContact O-N 3.04Å; G165-T169 PolarHBondContact O-N 3.01Å; G165-T169 PolarHBondContact O-OG1 3.03Å; G165-T169 VanDerWaalsContact O-OG1 3.05Å
166P82.8Confident81.7Confident27 Ų2727.5 Ų27.518%0.17514%0.141CC..Hα-helixtrans-55-32.5177.5-27.835.5000114.9L2 F6 L170L2-P166 HydrophobicContact CD2-CB 4.25Å; L2-P166 HydrophobicContact CD2-CG 4.49Å; F6-P166 HydrophobicContact CD2-CG 3.69Å; F6-P166 HydrophobicContact CE2-CB 4.41Å; F6-P166 HydrophobicContact CE2-CG 3.9Å; F6-P166 HydrophobicContact CG-CG 4.46Å; P166-L170 PolarHBondContact O-N 3.14Å
167T79.8Confident81.6Confident23 Ų2328.3 Ų28.314%0.14115%0.145CC..Hα-helixtrans-76.6-46.3179.4-52.40000110.5L164 G165 T169 L170 D171 P249 Q254L164-T167 WeakPolarHBondContact O-CB 3.44Å; L164-T167 PolarHBondContact O-N 3.44Å; G165-T167 PolarHBondContact O-N 2.87Å; G165-T167 VanDerWaalsContact O-N 3.15Å; T167-T169 VanDerWaalsContact C-N 3.32Å; T167-T169 PolarHBondContact O-N 2.89Å; T167-L170 PolarHBondContact O-N 2.98Å; T167-D171 WeakPolarHBondContact O-CB 3.37Å; T167-D171 VanDerWaalsContact O-CG 3.31Å; T167-D171 PolarHBondContact O-N 3.47Å; T167-P249 HydrophobicContact CG2-CB 4.4Å; T167-Q254 PolarHBondContact OG1-NE2 2.94Å
168F81.1Confident81.5Confident25 Ų2532.1 Ų32.111%0.1117%0.168CC..Hα-helixtrans-65.5-32.9177.8-62.3-26.5000113R136 A139 L164 G165 D171 A172 F208 M209R136-F168 HydrophobicContact CB-CD1 4.27Å; R136-F168 HydrophobicContact CB-CD2 4.41Å; R136-F168 HydrophobicContact CB-CE1 3.84Å; R136-F168 HydrophobicContact CB-CE2 3.96Å; R136-F168 HydrophobicContact CB-CZ 3.66Å; R136-F168 HydrophobicContact CG-CD1 4.02Å; R136-F168 HydrophobicContact CG-CE1 3.76Å; R136-F168 HydrophobicContact CG-CZ 4.14Å; A139-F168 HydrophobicContact CB-CZ 4.48Å; L164-F168 HydrophobicContact CB-CD2 3.98Å; L164-F168 HydrophobicContact CB-CE2 3.56Å; L164-F168 HydrophobicContact CB-CZ 3.95Å; L164-F168 HydrophobicContact CD1-CE2 3.94Å; L164-F168 HydrophobicContact CD1-CZ 4.05Å; L164-F168 HydrophobicContact CD2-CZ 4.32Å; L164-F168 HydrophobicContact CG-CE2 4.28Å; L164-F168 HydrophobicContact CG-CZ 4.34Å; L164-F168 PolarHBondContact O-N 3.13Å; G165-F168 PolarHBondContact O-N 3.04Å; F168-D171 PolarHBondContact O-N 2.88Å; F168-A172 WeakPolarHBondContact O-CB 3.49Å; F168-A172 PolarHBondContact O-N 2.92Å; F168-F208 HydrophobicContact CD2-CD1 4.32Å; F168-F208 AromaticContact CD2-CE1 3.57Å; F168-F208 HydrophobicContact CD2-CE1 3.57Å; F168-F208 HydrophobicContact CD2-CZ 4.37Å; F168-F208 AromaticContact CE2-CE1 3.73Å; F168-F208 HydrophobicContact CE2-CE1 3.73Å; F168-F208 HydrophobicContact CE2-CZ 4.08Å; F168-M209 HydrophobicContact CB-CE 3.69Å; F168-M209 HydrophobicContact CD2-CE 4.38Å
169T84.7Confident81.2Confident29 Ų2933.6 Ų33.618%0.17818%0.176CC..Hα-helixtrans-65.9-44.6171.4-52.50000112F6 G165 T167 D171 L173 Y205F6-T169 VanDerWaalsContact CZ-OG1 3.25Å; F6-T169 WeakPolarHBondContact CZ-OG1 3.45Å; G165-T169 PolarHBondContact O-N 3.01Å; G165-T169 PolarHBondContact O-OG1 3.03Å; G165-T169 VanDerWaalsContact O-OG1 3.05Å; T167-T169 VanDerWaalsContact C-N 3.32Å; T167-T169 PolarHBondContact O-N 2.89Å; T169-D171 VanDerWaalsContact C-N 3.29Å; T169-D171 PolarHBondContact O-N 3.41Å; T169-L173 HydrophobicContact CG2-CD1 4.15Å; T169-L173 WeakPolarHBondContact O-CB 3.5Å; T169-L173 VanDerWaalsContact O-CG 3.25Å; T169-L173 WeakPolarHBondContact O-CG 3.42Å; T169-L173 PolarHBondContact O-N 3.37Å; T169-L173 VanDerWaalsContact O-N 3.08Å; T169-Y205 HydrophobicContact CG2-CE2 4.22Å; T169-Y205 WeakPolarHBondContact CG2-OH 3.41Å; T169-Y205 WeakPolarHBondContact OG1-CE2 3.12Å; T169-Y205 PolarHBondContact OG1-OH 3.16Å
170L80.6Confident80.8Confident19 Ų1927.5 Ų27.510%0.09916%0.156CC..Hα-helixtrans-62.3-40.4176.2178.960.9000111.3P166 T167 L173 V174 K257 M258P166-L170 PolarHBondContact O-N 3.14Å; T167-L170 PolarHBondContact O-N 2.98Å; L170-L173 PolarHBondContact O-N 3.21Å; L170-V174 HydrophobicContact CD1-CG2 4.46Å; L170-V174 WeakPolarHBondContact O-CG2 3.35Å; L170-V174 PolarHBondContact O-N 3.13Å; L170-K257 HydrophobicContact CD2-CB 3.8Å; L170-K257 HydrophobicContact CG-CB 4.2Å; L170-M258 HydrophobicContact CD1-CG 4.02Å; L170-M258 HydrophobicContact CD1-SD 3.95Å; L170-M258 HydrophobicContact CD2-CG 3.9Å; L170-M258 HydrophobicContact CD2-SD 4.49Å
171D79.6Confident80.6Confident31 Ų3131.2 Ų31.217%0.16618%0.178CC..Hα-helixtrans-70.6-44.7-178.3-72.3-2.2000111.8T167 F168 T169 L173 V174 E175 K257T167-D171 WeakPolarHBondContact O-CB 3.37Å; T167-D171 VanDerWaalsContact O-CG 3.31Å; T167-D171 PolarHBondContact O-N 3.47Å; F168-D171 PolarHBondContact O-N 2.88Å; T169-D171 VanDerWaalsContact C-N 3.29Å; T169-D171 PolarHBondContact O-N 3.41Å; D171-L173 VanDerWaalsContact C-N 3.28Å; D171-L173 PolarHBondContact O-N 3.23Å; D171-V174 PolarHBondContact O-N 3.36Å; D171-E175 WeakPolarHBondContact O-CB 3.5Å; D171-E175 PolarHBondContact O-N 3.14Å; D171-K257 VanDerWaalsContact OD1-CD 3.22Å; D171-K257 WeakPolarHBondContact OD1-CD 3.37Å; D171-K257 WeakPolarHBondContact OD1-CE 3.41Å; D171-K257 IonicContact OD1-NZ 2.92Å; D171-K257 PolarHBondContact OD1-NZ 2.82Å; D171-K257 IonicContact OD2-NZ 2.67Å; D171-K257 PolarHBondContact OD2-NZ 3.3Å
172A83.1Confident79.9Confident4 Ų431.9 Ų31.93%0.03319%0.186CC..Hα-helixtrans-61.6-34.4173.400000112.9F168 C176 V201 Y205F168-A172 WeakPolarHBondContact O-CB 3.49Å; F168-A172 PolarHBondContact O-N 2.92Å; A172-C176 VanDerWaalsContact O-CB 3.23Å; A172-C176 WeakPolarHBondContact O-CB 3.49Å; A172-C176 PolarHBondContact O-N 3.17Å; A172-V201 HydrophobicContact CB-CG1 4.33Å; A172-Y205 HydrophobicContact CB-CD2 3.63Å; A172-Y205 HydrophobicContact CB-CE2 4.46Å; A172-Y205 HydrophobicContact CB-CG 3.96Å
173L82.8Confident79.2Confident91 Ų9132.9 Ų32.948%0.47619%0.191SC..Hα-helixtrans-69.5-43.7173.8-73.2170.2000112.1T169 L170 D171 L177T169-L173 HydrophobicContact CG2-CD1 4.15Å; T169-L173 WeakPolarHBondContact O-CB 3.5Å; T169-L173 VanDerWaalsContact O-CG 3.25Å; T169-L173 WeakPolarHBondContact O-CG 3.42Å; T169-L173 PolarHBondContact O-N 3.37Å; T169-L173 VanDerWaalsContact O-N 3.08Å; L170-L173 PolarHBondContact O-N 3.21Å; D171-L173 VanDerWaalsContact C-N 3.28Å; D171-L173 PolarHBondContact O-N 3.23Å; L173-L177 WeakPolarHBondContact O-CB 3.32Å; L173-L177 WeakPolarHBondContact O-CD1 3.1Å; L173-L177 WeakPolarHBondContact O-CG 3.48Å; L173-L177 PolarHBondContact O-N 3.44Å
174V81Confident78.5Confident17 Ų1733.3 Ų33.310%0.10319%0.192CC..Hα-helixtrans-59.8-47173.6165.80000110.7L170 D171 L177 V178 K257 M260L170-V174 HydrophobicContact CD1-CG2 4.46Å; L170-V174 WeakPolarHBondContact O-CG2 3.35Å; L170-V174 PolarHBondContact O-N 3.13Å; D171-V174 PolarHBondContact O-N 3.36Å; V174-L177 PolarHBondContact O-N 3.45Å; V174-V178 HydrophobicContact CG1-CG2 4.4Å; V174-V178 WeakPolarHBondContact O-CG2 3.22Å; V174-V178 PolarHBondContact O-N 3.48Å; V174-K257 HydrophobicContact CG2-CB 4.49Å; V174-M260 HydrophobicContact CG1-CE 3.5Å; V174-M260 HydrophobicContact CG2-CE 4.4Å
175E82.3Confident77.9Confident41 Ų4136 Ų3619%0.19221%0.211CC..Hα-helixtrans-61.4-48-179.1-168.3169.6-176.600110.9R136 D171 L177 V178 I179 V201R136-E175 IonicContact CZ-OE2 3.86Å; R136-E175 IonicContact NH1-OE2 3.78Å; R136-E175 PolarHBondContact NH1-OE2 3.32Å; R136-E175 IonicContact NH2-OE1 3.18Å; R136-E175 IonicContact NH2-OE2 2.83Å; R136-E175 PolarHBondContact NH2-OE2 3.04Å; D171-E175 WeakPolarHBondContact O-CB 3.5Å; D171-E175 PolarHBondContact O-N 3.14Å; E175-L177 PolarHBondContact O-N 2.85Å; E175-V178 PolarHBondContact O-N 3.31Å; E175-I179 HydrophobicContact CG-CD1 4.45Å; E175-I179 VanDerWaalsContact O-CG1 3.31Å; E175-I179 WeakPolarHBondContact O-CG1 3.32Å; E175-I179 PolarHBondContact O-N 2.94Å; E175-I179 VanDerWaalsContact O-N 3.09Å; E175-V201 HydrophobicContact CB-CG1 4.12Å; E175-V201 HydrophobicContact CG-CG1 4.07Å; E175-V201 HydrophobicContact CG-CG2 4.01Å
176C82.7Confident76.6Confident24 Ų2439.1 Ų39.116%0.16224%0.244CC..Hα-helixtrans-62.5-36.5173.6-172.50000113.3A172 G180 C198 V201A172-C176 VanDerWaalsContact O-CB 3.23Å; A172-C176 WeakPolarHBondContact O-CB 3.49Å; A172-C176 PolarHBondContact O-N 3.17Å; C176-G180 WeakPolarHBondContact O-CA 3.45Å; C176-G180 PolarHBondContact O-N 3.12Å; C176-C198 PolarHBondContact O-SG 3.46Å; C176-V201 HydrophobicContact CB-CG1 4.37Å
177L79.4Confident75.6Confident37 Ų3741.6 Ų41.619%0.19426%0.259CS..Hα-helixtrans-71.2-40.8177.9-75.4163.8000112.5L173 V174 E175 G180 V181 L264 V265L173-L177 WeakPolarHBondContact O-CB 3.32Å; L173-L177 WeakPolarHBondContact O-CD1 3.1Å; L173-L177 WeakPolarHBondContact O-CG 3.48Å; L173-L177 PolarHBondContact O-N 3.44Å; V174-L177 PolarHBondContact O-N 3.45Å; E175-L177 PolarHBondContact O-N 2.85Å; L177-G180 PolarHBondContact O-N 2.98Å; L177-V181 PolarHBondContact O-N 3.2Å; L177-L264 HydrophobicContact CB-CB 4.2Å; L177-L264 HydrophobicContact CB-CD1 4.19Å; L177-L264 HydrophobicContact CD1-CB 4.48Å; L177-V265 HydrophobicContact CD1-CG2 3.69Å; L177-V265 HydrophobicContact CD2-CG2 3.7Å; L177-V265 HydrophobicContact CG-CG2 4.36Å
178V80.1Confident74.4Confident82 Ų8249.7 Ų49.750%0.49729%0.286SS..Hα-helixtrans-65.4-46.3178.1169.50000110.8V174 E175 G180 V181 L264V174-V178 HydrophobicContact CG1-CG2 4.4Å; V174-V178 WeakPolarHBondContact O-CG2 3.22Å; V174-V178 PolarHBondContact O-N 3.48Å; E175-V178 PolarHBondContact O-N 3.31Å; V178-G180 VanDerWaalsContact C-N 3.26Å; V178-G180 PolarHBondContact O-N 3.47Å; V178-V181 PolarHBondContact O-N 3.39Å; V178-L264 HydrophobicContact CG2-CD1 3.82Å
179I77.4Confident73.2Confident30 Ų3054.4 Ų54.415%0.15431%0.309CS..Hα-helixtrans-65.3-34.8173.6-57.9169.1000110.3L131 E175 V181 G182 C194 V201L131-I179 HydrophobicContact CD1-CD1 3.94Å; L131-I179 HydrophobicContact CD2-CD1 3.83Å; E175-I179 HydrophobicContact CG-CD1 4.45Å; E175-I179 VanDerWaalsContact O-CG1 3.31Å; E175-I179 WeakPolarHBondContact O-CG1 3.32Å; E175-I179 PolarHBondContact O-N 2.94Å; E175-I179 VanDerWaalsContact O-N 3.09Å; I179-V181 VanDerWaalsContact C-N 3.28Å; I179-V181 PolarHBondContact O-N 2.87Å; I179-G182 PolarHBondContact O-N 3.36Å; I179-C194 HydrophobicContact CG2-CB 4.02Å; I179-C194 WeakPolarHBondContact CG2-O 3.33Å; I179-V201 HydrophobicContact CD1-CG2 3.89Å
180G73.1Confident72.1Confident9 Ų956.5 Ų56.59%0.09332%0.318CS..Hα-helixtrans-58.3-31.8177.500000114.6C176 L177 V178 G182 T183 C198C176-G180 WeakPolarHBondContact O-CA 3.45Å; C176-G180 PolarHBondContact O-N 3.12Å; L177-G180 PolarHBondContact O-N 2.98Å; V178-G180 VanDerWaalsContact C-N 3.26Å; V178-G180 PolarHBondContact O-N 3.47Å; G180-G182 VanDerWaalsContact C-N 3.26Å; G180-G182 PolarHBondContact O-N 2.85Å; G180-T183 WeakPolarHBondContact O-CB 3.4Å; G180-T183 PolarHBondContact O-N 3.38Å; G180-T183 VanDerWaalsContact O-N 3.1Å; G180-T183 PolarHBondContact O-OG1 2.69Å; G180-C198 PolarHBondContact N-SG 2.96Å; G180-C198 VanDerWaalsContact N-SG 3.4Å
181V74.8Confident71.3Confident77 Ų7758.4 Ų58.447%0.46733%0.327SS..Hα-helixtrans-60.9-36.3172.8177.50000111.3L177 V178 I179 T183 M184 L264L177-V181 PolarHBondContact O-N 3.2Å; V178-V181 PolarHBondContact O-N 3.39Å; I179-V181 VanDerWaalsContact C-N 3.28Å; I179-V181 PolarHBondContact O-N 2.87Å; V181-T183 PolarHBondContact O-N 2.75Å; V181-M184 PolarHBondContact O-N 3.37Å; V181-M184 VanDerWaalsContact O-N 3.07Å; V181-L264 HydrophobicContact CG2-CD2 4.18Å
182G69.9Low70.6Confident17 Ų1760.1 Ų60.118%0.17534%0.336CS..Hα-helixtrans-66-18.3176.400000114.4I179 G180 M184 S185I179-G182 PolarHBondContact O-N 3.36Å; G180-G182 VanDerWaalsContact C-N 3.26Å; G180-G182 PolarHBondContact O-N 2.85Å; G182-M184 PolarHBondContact O-N 3.33Å; G182-S185 WeakPolarHBondContact O-CB 3.31Å; G182-S185 PolarHBondContact O-N 3.38Å
183T67.4Low69.9Low35 Ų3562.8 Ų62.822%0.21535%0.348CS..THydrogen-bonded Turntrans-753.8171.572.90000114.1G180 V181 C194 C195G180-T183 WeakPolarHBondContact O-CB 3.4Å; G180-T183 PolarHBondContact O-N 3.38Å; G180-T183 VanDerWaalsContact O-N 3.1Å; G180-T183 PolarHBondContact O-OG1 2.69Å; V181-T183 PolarHBondContact O-N 2.75Å; T183-C194 HydrophobicContact CG2-CB 3.7Å; T183-C195 HydrophobicContact CG2-CB 4.29Å
184M63.6Low69.4Low73 Ų7359.3 Ų59.336%0.3633%0.331SS..THydrogen-bonded Turntrans-123.419179-50.8-170.369.700112.2V181 G182 H268 S271 R272V181-M184 PolarHBondContact O-N 3.37Å; V181-M184 VanDerWaalsContact O-N 3.07Å; G182-M184 PolarHBondContact O-N 3.33Å; M184-H268 PolarHBondContact SD-CE1 3.09Å; M184-H268 PolarHBondContact SD-ND1 3.49Å; M184-S271 VanDerWaalsContact CE-OG 3.27Å; M184-S271 WeakPolarHBondContact CE-OG 3.41Å; M184-R272 HydrophobicContact CE-CG 4.22Å
185S68.3Low68.9Low64 Ų6459.9 Ų59.945%0.44834%0.336SS..SBendtrans-80.7-11.7-170.3-160.90000114.3G182 V187G182-S185 WeakPolarHBondContact O-CB 3.31Å; G182-S185 PolarHBondContact O-N 3.38Å; S185-V187 PolarHBondContact O-N 2.75Å
186G53.3Low68.4Low67 Ų6759.1 Ų59.169%0.69133%0.332SS*.SBendtrans74.8-1.4-173.700000114.2E191G186-E191 VanDerWaalsContact CA-OE1 3.24Å; G186-E191 WeakPolarHBondContact CA-OE1 3.42Å; G186-E191 PolarHBondContact N-OE1 3Å
187V63.4Low68Low79 Ų7958.2 Ų58.248%0.47933%0.326SS..  trans-105.599.7-178.4179.40000109S185 Q189 L190 E191S185-V187 PolarHBondContact O-N 2.75Å; V187-Q189 VanDerWaalsContact C-N 3.3Å; V187-Q189 PolarHBondContact O-N 3.41Å; V187-Q189 VanDerWaalsContact O-N 3.11Å; V187-L190 HydrophobicContact CB-CB 4.1Å; V187-L190 HydrophobicContact CG1-CB 4.03Å; V187-L190 WeakPolarHBondContact O-CA 3.1Å; V187-L190 WeakPolarHBondContact O-CB 3.47Å; V187-L190 PolarHBondContact O-N 2.84Å; V187-E191 WeakPolarHBondContact O-CG 3.32Å; V187-E191 PolarHBondContact O-N 3.45Å
188R53.5Low67.8Low192 Ų19257.1 Ų57.173%0.72532%0.322SS*.Hα-helixtrans-49.1-41.9-169.1-174.2174.3176.6167.3-2.3115I192R188-I192 HydrophobicContact CG-CD1 4.21Å; R188-I192 WeakPolarHBondContact O-CD1 3.5Å; R188-I192 VanDerWaalsContact O-CG1 3.27Å; R188-I192 WeakPolarHBondContact O-CG1 3.34Å; R188-I192 PolarHBondContact O-N 3.34Å; R188-I192 VanDerWaalsContact O-N 3.1Å
189Q56.8Low67.6Low125 Ų12555.3 Ų55.358%0.58431%0.308SS*.Hα-helixtrans-68.1-44.3178.8-167.3178.713.500111.7V187 E191 I192 M193V187-Q189 VanDerWaalsContact C-N 3.3Å; V187-Q189 PolarHBondContact O-N 3.41Å; V187-Q189 VanDerWaalsContact O-N 3.11Å; Q189-E191 PolarHBondContact O-N 2.99Å; Q189-I192 PolarHBondContact O-N 3.4Å; Q189-M193 WeakPolarHBondContact O-CG 3.37Å; Q189-M193 PolarHBondContact O-N 2.94Å
190L61.8Low67.5Low72 Ų7254 Ų5438%0.37730%0.302SS..Hα-helixtrans-64.8-38.8175.7-179.960.8000111.6V187 I192 M193 C194V187-L190 HydrophobicContact CB-CB 4.1Å; V187-L190 HydrophobicContact CG1-CB 4.03Å; V187-L190 WeakPolarHBondContact O-CA 3.1Å; V187-L190 WeakPolarHBondContact O-CB 3.47Å; V187-L190 PolarHBondContact O-N 2.84Å; L190-I192 VanDerWaalsContact C-N 3.33Å; L190-I192 PolarHBondContact O-N 2.91Å; L190-M193 PolarHBondContact O-N 3.36Å; L190-C194 WeakPolarHBondContact O-CB 3.22Å; L190-C194 PolarHBondContact O-N 3.26Å; L190-C194 PolarHBondContact O-SG 2.86Å; L190-C194 VanDerWaalsContact O-SG 3.4Å
191E64Low67.9Low59 Ų5953.8 Ų53.828%0.27630%0.299SS..Hα-helixtrans-63.8-37.7175.9-69.2176.716400112.4G186 V187 Q189 C195G186-E191 VanDerWaalsContact CA-OE1 3.24Å; G186-E191 WeakPolarHBondContact CA-OE1 3.42Å; G186-E191 PolarHBondContact N-OE1 3Å; V187-E191 WeakPolarHBondContact O-CG 3.32Å; V187-E191 PolarHBondContact O-N 3.45Å; Q189-E191 PolarHBondContact O-N 2.99Å; E191-C195 WeakPolarHBondContact O-CB 3.28Å; E191-C195 PolarHBondContact O-N 3.47Å
192I64.4Low68.1Low68 Ų6853.5 Ų53.535%0.34929%0.294SS..Hα-helixtrans-65.5-47.8172.8-69.3163.8000110.3R188 Q189 L190 C195 F196R188-I192 HydrophobicContact CG-CD1 4.21Å; R188-I192 WeakPolarHBondContact O-CD1 3.5Å; R188-I192 VanDerWaalsContact O-CG1 3.27Å; R188-I192 WeakPolarHBondContact O-CG1 3.34Å; R188-I192 PolarHBondContact O-N 3.34Å; R188-I192 VanDerWaalsContact O-N 3.1Å; Q189-I192 PolarHBondContact O-N 3.4Å; L190-I192 VanDerWaalsContact C-N 3.33Å; L190-I192 PolarHBondContact O-N 2.91Å; I192-C195 PolarHBondContact O-N 2.85Å; I192-F196 WeakPolarHBondContact O-CB 3.46Å; I192-F196 PolarHBondContact O-N 2.82Å
193M68.3Low68.4Low60 Ų6052.8 Ų52.830%0.29629%0.287SS..Hα-helixtrans-63.3-41.6178.4-69.2177.276.100113F127 Q189 L190 F196 G197F127-M193 HydrophobicContact CD2-CE 3.75Å; F127-M193 HydrophobicContact CE2-CE 3.55Å; F127-M193 HydrophobicContact CG-CE 4.45Å; F127-M193 HydrophobicContact CZ-CE 4.1Å; Q189-M193 WeakPolarHBondContact O-CG 3.37Å; Q189-M193 PolarHBondContact O-N 2.94Å; L190-M193 PolarHBondContact O-N 3.36Å; M193-F196 WeakPolarHBondContact O-CB 3.41Å; M193-F196 PolarHBondContact O-N 3.24Å; M193-G197 PolarHBondContact O-N 3.47Å
194C71.3Confident69Low18 Ų1852 Ų5212%0.12228%0.281CS..Hα-helixtrans-69.7-37.1175.6-71.90000111.6I179 T183 L190 F196 G197 C198I179-C194 HydrophobicContact CG2-CB 4.02Å; I179-C194 WeakPolarHBondContact CG2-O 3.33Å; T183-C194 HydrophobicContact CG2-CB 3.7Å; L190-C194 WeakPolarHBondContact O-CB 3.22Å; L190-C194 PolarHBondContact O-N 3.26Å; L190-C194 PolarHBondContact O-SG 2.86Å; L190-C194 VanDerWaalsContact O-SG 3.4Å; C194-F196 VanDerWaalsContact C-N 3.34Å; C194-F196 PolarHBondContact O-N 3.15Å; C194-G197 PolarHBondContact O-N 3.49Å; C194-C198 PolarHBondContact O-N 2.95Å; C194-C198 PolarHBondContact O-SG 2.82Å
195C70.9Confident69.9Low29 Ų2951.4 Ų51.420%0.19628%0.275CS..Hα-helixtrans-62.4-43.5173.1-173.30000111.1K116 T183 E191 I192 M199K116-C195 PolarHBondContact NZ-SG 2.96Å; T183-C195 HydrophobicContact CG2-CB 4.29Å; E191-C195 WeakPolarHBondContact O-CB 3.28Å; E191-C195 PolarHBondContact O-N 3.47Å; I192-C195 PolarHBondContact O-N 2.85Å; C195-M199 WeakPolarHBondContact O-CG 3.4Å; C195-M199 PolarHBondContact O-N 3.01Å
196F72Confident70.6Confident25 Ų2551.8 Ų51.811%0.1127%0.269CS..Hα-helixtrans-58.2-47.1172.7177.8-76.5000111.3I111 L121 A124 F128 I192 M193 C194 M199 S200I111-F196 HydrophobicContact CD1-CD2 3.29Å; I111-F196 HydrophobicContact CD1-CE2 3.4Å; I111-F196 VanDerWaalsContact CD1-CE2 3.4Å; I111-F196 HydrophobicContact CD1-CG 4.02Å; I111-F196 HydrophobicContact CD1-CZ 4.24Å; I111-F196 HydrophobicContact CG1-CD2 4.49Å; L121-F196 HydrophobicContact CD1-CE2 3.52Å; L121-F196 HydrophobicContact CD1-CZ 4.08Å; A124-F196 HydrophobicContact CB-CD1 3.95Å; A124-F196 HydrophobicContact CB-CD2 4.22Å; A124-F196 HydrophobicContact CB-CE1 3.94Å; A124-F196 HydrophobicContact CB-CE2 4.21Å; A124-F196 HydrophobicContact CB-CG 4.14Å; A124-F196 HydrophobicContact CB-CZ 4.08Å; F128-F196 HydrophobicContact CB-CE1 4.03Å; F128-F196 HydrophobicContact CB-CZ 4.47Å; F128-F196 HydrophobicContact CD2-CE1 4.08Å; F128-F196 HydrophobicContact CD2-CZ 4.35Å; F128-F196 HydrophobicContact CG-CE1 4.47Å; I192-F196 WeakPolarHBondContact O-CB 3.46Å; I192-F196 PolarHBondContact O-N 2.82Å; M193-F196 WeakPolarHBondContact O-CB 3.41Å; M193-F196 PolarHBondContact O-N 3.24Å; C194-F196 VanDerWaalsContact C-N 3.34Å; C194-F196 PolarHBondContact O-N 3.15Å; F196-M199 PolarHBondContact O-N 2.99Å; F196-S200 VanDerWaalsContact CE1-OG 3.31Å; F196-S200 WeakPolarHBondContact CE1-OG 3.32Å; F196-S200 WeakPolarHBondContact O-CB 3.21Å; F196-S200 PolarHBondContact O-N 3.08Å; F196-S200 PolarHBondContact O-OG 2.91Å
197G74.3Confident71.9Confident5 Ų548.7 Ų48.75%0.05224%0.237CC..Hα-helixtrans-61-45.4178.900000113.3M193 C194 M199 S200 V201M193-G197 PolarHBondContact O-N 3.47Å; C194-G197 PolarHBondContact O-N 3.49Å; G197-M199 PolarHBondContact O-N 2.81Å; G197-S200 WeakPolarHBondContact O-CB 3.44Å; G197-S200 PolarHBondContact O-N 2.75Å; G197-V201 WeakPolarHBondContact O-CG2 3.47Å; G197-V201 PolarHBondContact O-N 3.27Å
198C76.3Confident72.8Confident14 Ų1445.5 Ų45.510%0.09522%0.217CC..Hα-helixtrans-58.1-49.5176.2-68.40000112.3C176 G180 C194 S200 V201 L202C176-C198 PolarHBondContact O-SG 3.46Å; G180-C198 PolarHBondContact N-SG 2.96Å; G180-C198 VanDerWaalsContact N-SG 3.4Å; C194-C198 PolarHBondContact O-N 2.95Å; C194-C198 PolarHBondContact O-SG 2.82Å; C198-S200 VanDerWaalsContact C-N 3.28Å; C198-S200 PolarHBondContact O-N 2.93Å; C198-V201 PolarHBondContact O-N 3.2Å; C198-L202 WeakPolarHBondContact O-CG 3.4Å; C198-L202 PolarHBondContact O-N 3.16Å
199M75.9Confident74.3Confident44 Ų4436.8 Ų36.822%0.21718%0.184CC..Hα-helixtrans-65.3-34.7178.9-59.8-44.4-61.100111.7V110 I111 L114 C195 F196 G197 L202 A203V110-M199 HydrophobicContact CG1-CB 4.29Å; V110-M199 HydrophobicContact CG1-CE 3.38Å; I111-M199 HydrophobicContact CG1-CB 4.24Å; L114-M199 HydrophobicContact CD1-CE 3.88Å; L114-M199 HydrophobicContact CD1-CG 4.13Å; L114-M199 HydrophobicContact CD1-SD 4.04Å; C195-M199 WeakPolarHBondContact O-CG 3.4Å; C195-M199 PolarHBondContact O-N 3.01Å; F196-M199 PolarHBondContact O-N 2.99Å; G197-M199 PolarHBondContact O-N 2.81Å; M199-L202 PolarHBondContact O-N 3.46Å; M199-L202 HydrophobicContact SD-CD1 4.5Å; M199-A203 VanDerWaalsContact O-CB 3.23Å; M199-A203 WeakPolarHBondContact O-CB 3.43Å; M199-A203 PolarHBondContact O-N 3.43Å
200S75.4Confident75.6Confident3 Ų331.6 Ų31.62%0.02116%0.161CC..Hα-helixtrans-65.5-40.7176.7-61.80000113.2F128 F196 G197 C198 A203 N204F128-S200 WeakPolarHBondContact CD2-OG 3.36Å; F196-S200 VanDerWaalsContact CE1-OG 3.31Å; F196-S200 WeakPolarHBondContact CE1-OG 3.32Å; F196-S200 WeakPolarHBondContact O-CB 3.21Å; F196-S200 PolarHBondContact O-N 3.08Å; F196-S200 PolarHBondContact O-OG 2.91Å; G197-S200 WeakPolarHBondContact O-CB 3.44Å; G197-S200 PolarHBondContact O-N 2.75Å; C198-S200 VanDerWaalsContact C-N 3.28Å; C198-S200 PolarHBondContact O-N 2.93Å; S200-A203 PolarHBondContact O-N 2.98Å; S200-N204 VanDerWaalsContact O-CB 3.31Å; S200-N204 WeakPolarHBondContact O-CB 3.45Å; S200-N204 PolarHBondContact O-N 3.34Å
201V79.8Confident76.6Confident4 Ų428.3 Ų28.32%0.02414%0.144CC..Hα-helixtrans-66.3-41.5176.2169.60000111.1L131 A172 E175 C176 I179 G197 C198 Y205L131-V201 HydrophobicContact CD1-CG2 4.49Å; A172-V201 HydrophobicContact CB-CG1 4.33Å; E175-V201 HydrophobicContact CB-CG1 4.12Å; E175-V201 HydrophobicContact CG-CG1 4.07Å; E175-V201 HydrophobicContact CG-CG2 4.01Å; C176-V201 HydrophobicContact CB-CG1 4.37Å; I179-V201 HydrophobicContact CD1-CG2 3.89Å; G197-V201 WeakPolarHBondContact O-CG2 3.47Å; G197-V201 PolarHBondContact O-N 3.27Å; C198-V201 PolarHBondContact O-N 3.2Å; V201-Y205 VanDerWaalsContact O-CB 3.3Å; V201-Y205 WeakPolarHBondContact O-CB 3.33Å; V201-Y205 PolarHBondContact O-N 3.03Å
202L79.6Confident77.5Confident70 Ų7025.5 Ų25.537%0.36613%0.13SC..Hα-helixtrans-67-40.3176.2-66.2173.2000112.2C198 M199 Y205 F206C198-L202 WeakPolarHBondContact O-CG 3.4Å; C198-L202 PolarHBondContact O-N 3.16Å; M199-L202 PolarHBondContact O-N 3.46Å; M199-L202 HydrophobicContact SD-CD1 4.5Å; L202-Y205 PolarHBondContact O-N 3.34Å; L202-F206 PolarHBondContact O-N 3.42Å
203A77.1Confident78.4Confident3 Ų322.2 Ų22.23%0.02511%0.114CC..Hα-helixtrans-61-50.7173.500000112.1F106 S107 M199 S200 Y205 F206 V207F106-A203 HydrophobicContact CD1-CB 3.67Å; F106-A203 HydrophobicContact CE1-CB 4.35Å; S107-A203 WeakPolarHBondContact OG-CB 3.09Å; M199-A203 VanDerWaalsContact O-CB 3.23Å; M199-A203 WeakPolarHBondContact O-CB 3.43Å; M199-A203 PolarHBondContact O-N 3.43Å; S200-A203 PolarHBondContact O-N 2.98Å; A203-Y205 VanDerWaalsContact C-N 3.35Å; A203-Y205 PolarHBondContact O-N 2.9Å; A203-F206 PolarHBondContact O-N 3.34Å; A203-V207 WeakPolarHBondContact O-CG2 3.45Å; A203-V207 PolarHBondContact O-N 3.36Å
204N78.6Confident79.2Confident17 Ų1719.4 Ų19.49%0.09110%0.1CC..Hα-helixtrans-59.6-45.2176.9-173.927.4000111.2S103 S200 F206 V207 F208S103-N204 VanDerWaalsContact OG-CA 3.27Å; S103-N204 WeakPolarHBondContact OG-CA 3.25Å; S103-N204 WeakPolarHBondContact OG-CB 3.4Å; S200-N204 VanDerWaalsContact O-CB 3.31Å; S200-N204 WeakPolarHBondContact O-CB 3.45Å; S200-N204 PolarHBondContact O-N 3.34Å; N204-F206 VanDerWaalsContact C-N 3.35Å; N204-F206 PolarHBondContact O-N 2.63Å; N204-V207 PolarHBondContact O-N 2.92Å; N204-F208 WeakPolarHBondContact O-CB 3.37Å; N204-F208 PolarHBondContact O-N 2.68Å
205Y83.9Confident79.6Confident62 Ų6219.3 Ų19.324%0.24310%0.099CC..Hα-helixtrans-58.2-42.7175.2170.5-94.5000112.8T169 A172 V201 L202 A203 F208 M209T169-Y205 HydrophobicContact CG2-CE2 4.22Å; T169-Y205 WeakPolarHBondContact CG2-OH 3.41Å; T169-Y205 WeakPolarHBondContact OG1-CE2 3.12Å; T169-Y205 PolarHBondContact OG1-OH 3.16Å; A172-Y205 HydrophobicContact CB-CD2 3.63Å; A172-Y205 HydrophobicContact CB-CE2 4.46Å; A172-Y205 HydrophobicContact CB-CG 3.96Å; V201-Y205 VanDerWaalsContact O-CB 3.3Å; V201-Y205 WeakPolarHBondContact O-CB 3.33Å; V201-Y205 PolarHBondContact O-N 3.03Å; L202-Y205 PolarHBondContact O-N 3.34Å; A203-Y205 VanDerWaalsContact C-N 3.35Å; A203-Y205 PolarHBondContact O-N 2.9Å; Y205-F208 PolarHBondContact O-N 3.2Å; Y205-M209 HydrophobicContact CD2-CE 4.23Å; Y205-M209 HydrophobicContact CD2-CG 4.11Å; Y205-M209 HydrophobicContact CE1-CG 4.2Å; Y205-M209 HydrophobicContact CE2-CE 3.48Å; Y205-M209 VanDerWaalsContact CE2-CE 3.48Å; Y205-M209 HydrophobicContact CE2-CG 3.62Å; Y205-M209 HydrophobicContact CE2-SD 4.38Å; Y205-M209 WeakPolarHBondContact O-CB 3.31Å; Y205-M209 WeakPolarHBondContact O-CG 3.48Å; Y205-M209 PolarHBondContact O-N 3.45Å
206F82.6Confident79.9Confident71 Ų7118.5 Ų18.531%0.3119%0.093SC..Hα-helixtrans-63.8-53.7177.3-180-100.8000111.4T24 F106 L202 A203 N204 F208 M209 T210T24-F206 HydrophobicContact CG2-CE1 4.23Å; F106-F206 HydrophobicContact CE1-CD1 4.11Å; F106-F206 HydrophobicContact CE2-CD1 4.46Å; F106-F206 HydrophobicContact CE2-CE1 4.49Å; F106-F206 AromaticContact CZ-CD1 3.98Å; F106-F206 HydrophobicContact CZ-CD1 3.98Å; F106-F206 HydrophobicContact CZ-CE1 4.28Å; L202-F206 PolarHBondContact O-N 3.42Å; A203-F206 PolarHBondContact O-N 3.34Å; N204-F206 VanDerWaalsContact C-N 3.35Å; N204-F206 PolarHBondContact O-N 2.63Å; F206-F208 PolarHBondContact O-N 2.91Å; F206-M209 PolarHBondContact O-N 3.36Å; F206-T210 HydrophobicContact CD2-CG2 4.22Å; F206-T210 HydrophobicContact CE2-CG2 3.83Å; F206-T210 HydrophobicContact CZ-CG2 4.09Å; F206-T210 PolarHBondContact O-N 3.31Å; F206-T210 PolarHBondContact O-OG1 3.01Å
207V81.2Confident80.5Confident2 Ų217.5 Ų17.51%0.0129%0.089CC..Hα-helixtrans-57.4-37.1177.5175.50000110.9T99 F106 A203 N204 F211 F212T99-V207 HydrophobicContact CG2-CG1 4.14Å; F106-V207 HydrophobicContact CB-CG2 4.34Å; A203-V207 WeakPolarHBondContact O-CG2 3.45Å; A203-V207 PolarHBondContact O-N 3.36Å; N204-V207 PolarHBondContact O-N 2.92Å; V207-F211 HydrophobicContact CG1-CB 3.94Å; V207-F211 HydrophobicContact CG1-CD1 4.35Å; V207-F211 HydrophobicContact CG1-CG 4.42Å; V207-F211 WeakPolarHBondContact O-CA 3.49Å; V207-F211 VanDerWaalsContact O-CB 3.31Å; V207-F211 WeakPolarHBondContact O-CB 3.26Å; V207-F211 PolarHBondContact O-N 3.46Å; V207-F212 PolarHBondContact O-N 3.03Å
208F81.9Confident80.8Confident13 Ų1318 Ų186%0.0579%0.091CC..Hα-helixtrans-67.7-37.6176-171.2-98.7000113.8R136 A137 L140 F168 N204 Y205 F206 F212 P213R136-F208 HydrophobicContact CB-CE1 4.4Å; R136-F208 HydrophobicContact CB-CE2 4.39Å; R136-F208 HydrophobicContact CB-CZ 4.12Å; R136-F208 WeakPolarHBondContact O-CZ 3.17Å; A137-F208 VanDerWaalsContact CA-CE2 3.47Å; A137-F208 HydrophobicContact CB-CE2 3.75Å; L140-F208 HydrophobicContact CB-CZ 4.33Å; L140-F208 HydrophobicContact CD2-CZ 4.27Å; F168-F208 HydrophobicContact CD2-CD1 4.32Å; F168-F208 AromaticContact CD2-CE1 3.57Å; F168-F208 HydrophobicContact CD2-CE1 3.57Å; F168-F208 HydrophobicContact CD2-CZ 4.37Å; F168-F208 AromaticContact CE2-CE1 3.73Å; F168-F208 HydrophobicContact CE2-CE1 3.73Å; F168-F208 HydrophobicContact CE2-CZ 4.08Å; N204-F208 WeakPolarHBondContact O-CB 3.37Å; N204-F208 PolarHBondContact O-N 2.68Å; Y205-F208 PolarHBondContact O-N 3.2Å; F206-F208 PolarHBondContact O-N 2.91Å; F208-F212 HydrophobicContact CD2-CB 4.34Å; F208-F212 HydrophobicContact CD2-CD1 4.02Å; F208-F212 HydrophobicContact CD2-CG 4.36Å; F208-F212 AromaticContact CE2-CD1 3.43Å; F208-F212 HydrophobicContact CE2-CD1 3.43Å; F208-F212 VanDerWaalsContact CE2-CD1 3.43Å; F208-F212 AromaticContact CE2-CE1 3.86Å; F208-F212 HydrophobicContact CE2-CE1 3.86Å; F208-F212 HydrophobicContact CE2-CG 4.17Å; F208-F212 HydrophobicContact CZ-CD1 4.08Å; F208-F212 HydrophobicContact CZ-CE1 4.37Å; F208-P213 WeakPolarHBondContact O-CD 3.35Å
209M84Confident80.7Confident8 Ų819.5 Ų19.54%0.03910%0.1CC..Hα-helixtrans-85.6-17.8-177.3-72.5-65.8178.700114.4F6 H9 M161 F168 Y205 F206F6-M209 HydrophobicContact CE1-CE 4.46Å; F6-M209 HydrophobicContact CE1-SD 4.41Å; H9-M209 PolarHBondContact NE2-O 3.45Å; M161-M209 HydrophobicContact CE-SD 3.64Å; M161-M209 HydrophobicContact SD-SD 4.44Å; F168-M209 HydrophobicContact CB-CE 3.69Å; F168-M209 HydrophobicContact CD2-CE 4.38Å; Y205-M209 HydrophobicContact CD2-CE 4.23Å; Y205-M209 HydrophobicContact CD2-CG 4.11Å; Y205-M209 HydrophobicContact CE1-CG 4.2Å; Y205-M209 HydrophobicContact CE2-CE 3.48Å; Y205-M209 VanDerWaalsContact CE2-CE 3.48Å; Y205-M209 HydrophobicContact CE2-CG 3.62Å; Y205-M209 HydrophobicContact CE2-SD 4.38Å; Y205-M209 WeakPolarHBondContact O-CB 3.31Å; Y205-M209 WeakPolarHBondContact O-CG 3.48Å; Y205-M209 PolarHBondContact O-N 3.45Å; F206-M209 PolarHBondContact O-N 3.36Å
210T84.9Confident80.6Confident17 Ų1718.5 Ų18.510%0.10410%0.095CC..Hα-helixtrans-120-50.9-177.761.30000112.9V13 V20 F206V13-T210 WeakPolarHBondContact CG1-O 3.43Å; V20-T210 WeakPolarHBondContact CG1-O 3.49Å; F206-T210 HydrophobicContact CD2-CG2 4.22Å; F206-T210 HydrophobicContact CE2-CG2 3.83Å; F206-T210 HydrophobicContact CZ-CG2 4.09Å; F206-T210 PolarHBondContact O-N 3.31Å; F206-T210 PolarHBondContact O-OG1 3.01Å
211F82.6Confident80.5Confident2 Ų220.8 Ų20.81%0.00911%0.105CC..Hα-helixtrans-83.8-48.4-168.8-169.8-89.4000112.4I21 T24 V25 F98 V207 A214 C215I21-F211 HydrophobicContact CB-CE2 4.18Å; I21-F211 HydrophobicContact CG1-CD2 4.36Å; I21-F211 HydrophobicContact CG1-CE2 3.99Å; I21-F211 HydrophobicContact CG1-CZ 4.38Å; I21-F211 HydrophobicContact CG2-CE2 3.93Å; I21-F211 HydrophobicContact CG2-CZ 4.31Å; T24-F211 HydrophobicContact CG2-CD2 3.94Å; V25-F211 HydrophobicContact CG2-CE2 4.31Å; F98-F211 AromaticContact CD1-CE1 3.44Å; F98-F211 HydrophobicContact CD1-CE1 3.44Å; F98-F211 VanDerWaalsContact CD1-CE1 3.44Å; F98-F211 AromaticContact CD1-CZ 3.77Å; F98-F211 HydrophobicContact CD1-CZ 3.77Å; F98-F211 AromaticContact CE1-CE1 3.62Å; F98-F211 HydrophobicContact CE1-CE1 3.62Å; F98-F211 AromaticContact CE1-CZ 3.41Å; F98-F211 HydrophobicContact CE1-CZ 3.41Å; F98-F211 VanDerWaalsContact CE1-CZ 3.41Å; F98-F211 HydrophobicContact CG-CE1 4.49Å; F98-F211 HydrophobicContact CZ-CZ 4.33Å; V207-F211 HydrophobicContact CG1-CB 3.94Å; V207-F211 HydrophobicContact CG1-CD1 4.35Å; V207-F211 HydrophobicContact CG1-CG 4.42Å; V207-F211 WeakPolarHBondContact O-CA 3.49Å; V207-F211 VanDerWaalsContact O-CB 3.31Å; V207-F211 WeakPolarHBondContact O-CB 3.26Å; V207-F211 PolarHBondContact O-N 3.46Å; F211-A214 PolarHBondContact O-N 3.46Å; F211-C215 WeakPolarHBondContact CE1-SG 3.09Å; F211-C215 VanDerWaalsContact CZ-SG 3.6Å; F211-C215 PolarHBondContact O-N 3.04Å
212F81.9Confident80.2Confident0 Ų024.7 Ų24.70%013%0.125CC..Hα-helixtrans-57.6-45.3-178.9176.6-110.1000113.9A95 T99 A137 L140 V207 F208 A214 C215 V216A95-F212 HydrophobicContact CB-CE2 4.18Å; T99-F212 HydrophobicContact CG2-CB 4.35Å; T99-F212 VanDerWaalsContact OG1-CD2 3.3Å; T99-F212 WeakPolarHBondContact OG1-CD2 3.29Å; A137-F212 HydrophobicContact CB-CD1 4.31Å; A137-F212 HydrophobicContact CB-CE1 3.71Å; A137-F212 HydrophobicContact CB-CE2 4.04Å; A137-F212 HydrophobicContact CB-CZ 3.55Å; L140-F212 HydrophobicContact CB-CE1 4.27Å; L140-F212 HydrophobicContact CD2-CD1 4.11Å; L140-F212 HydrophobicContact CD2-CE1 4.17Å; V207-F212 PolarHBondContact O-N 3.03Å; F208-F212 HydrophobicContact CD2-CB 4.34Å; F208-F212 HydrophobicContact CD2-CD1 4.02Å; F208-F212 HydrophobicContact CD2-CG 4.36Å; F208-F212 AromaticContact CE2-CD1 3.43Å; F208-F212 HydrophobicContact CE2-CD1 3.43Å; F208-F212 VanDerWaalsContact CE2-CD1 3.43Å; F208-F212 AromaticContact CE2-CE1 3.86Å; F208-F212 HydrophobicContact CE2-CE1 3.86Å; F208-F212 HydrophobicContact CE2-CG 4.17Å; F208-F212 HydrophobicContact CZ-CD1 4.08Å; F208-F212 HydrophobicContact CZ-CE1 4.37Å; F212-A214 PolarHBondContact O-N 3.27Å; F212-C215 PolarHBondContact O-N 2.92Å; F212-V216 HydrophobicContact CD1-CG2 4.45Å; F212-V216 HydrophobicContact CD2-CG2 4.04Å; F212-V216 HydrophobicContact CE1-CG2 3.98Å; F212-V216 HydrophobicContact CE2-CG2 3.54Å; F212-V216 HydrophobicContact CG-CG2 4.48Å; F212-V216 HydrophobicContact CZ-CG2 3.5Å; F212-V216 VanDerWaalsContact CZ-CG2 3.5Å; F212-V216 WeakPolarHBondContact O-CG2 3.44Å; F212-V216 PolarHBondContact O-N 3.49Å
213P84.1Confident79.5Confident0 Ų023.2 Ų23.20%012%0.121CC..Hα-helixtrans-70.2-31.9-178.9-13.328.9000112.3V13 L140 I157 M161 F208 S217V13-P213 HydrophobicContact CG1-CB 3.8Å; V13-P213 HydrophobicContact CG1-CG 4.24Å; L140-P213 HydrophobicContact CD2-CB 4.15Å; L140-P213 HydrophobicContact CD2-CG 3.88Å; I157-P213 HydrophobicContact CG2-CB 3.99Å; M161-P213 HydrophobicContact CE-CG 4.11Å; M161-P213 HydrophobicContact SD-CG 4.17Å; F208-P213 WeakPolarHBondContact O-CD 3.35Å; P213-S217 WeakPolarHBondContact O-CB 3.11Å; P213-S217 PolarHBondContact O-N 3Å
214A84.3Confident78.8Confident0 Ų027.7 Ų27.70%014%0.137CC..Hα-helixtrans-64.5-45.5172.200000111.2V13 P17 V20 I21 F211 F212 S217 L218V13-A214 HydrophobicContact CG1-CB 3.88Å; P17-A214 HydrophobicContact CB-CB 4.08Å; P17-A214 WeakPolarHBondContact CB-O 3.48Å; V20-A214 HydrophobicContact CB-CB 4.25Å; V20-A214 HydrophobicContact CG1-CB 4.06Å; I21-A214 HydrophobicContact CD1-CB 4.24Å; I21-A214 HydrophobicContact CG1-CB 3.99Å; F211-A214 PolarHBondContact O-N 3.46Å; F212-A214 PolarHBondContact O-N 3.27Å; A214-S217 PolarHBondContact O-N 2.87Å; A214-L218 WeakPolarHBondContact O-CB 3.49Å; A214-L218 PolarHBondContact O-N 2.81Å
215C79.8Confident77.8Confident16 Ų1634 Ų3411%0.10817%0.166CC..Hα-helixtrans-64.2-40175.7-73.80000113.1F211 F212 L218 V219F211-C215 WeakPolarHBondContact CE1-SG 3.09Å; F211-C215 VanDerWaalsContact CZ-SG 3.6Å; F211-C215 PolarHBondContact O-N 3.04Å; F212-C215 PolarHBondContact O-N 2.92Å; C215-L218 PolarHBondContact O-N 3.08Å; C215-V219 WeakPolarHBondContact O-CB 3.38Å; C215-V219 VanDerWaalsContact O-CG2 3.28Å; C215-V219 WeakPolarHBondContact O-CG2 3.42Å; C215-V219 PolarHBondContact O-N 3.39Å
216V79Confident76.5Confident13 Ų1335 Ų358%0.07918%0.182CC..Hα-helixtrans-64.3-41.9175.3172.10000110.9A144 I157 F212 L220A144-V216 HydrophobicContact CB-CG1 3.51Å; I157-V216 HydrophobicContact CD1-CG1 4.29Å; F212-V216 HydrophobicContact CD1-CG2 4.45Å; F212-V216 HydrophobicContact CD2-CG2 4.04Å; F212-V216 HydrophobicContact CE1-CG2 3.98Å; F212-V216 HydrophobicContact CE2-CG2 3.54Å; F212-V216 HydrophobicContact CG-CG2 4.48Å; F212-V216 HydrophobicContact CZ-CG2 3.5Å; F212-V216 VanDerWaalsContact CZ-CG2 3.5Å; F212-V216 WeakPolarHBondContact O-CG2 3.44Å; F212-V216 PolarHBondContact O-N 3.49Å; V216-L220 HydrophobicContact CG1-CD1 3.96Å; V216-L220 WeakPolarHBondContact O-CB 3.46Å; V216-L220 VanDerWaalsContact O-CG 3.26Å; V216-L220 WeakPolarHBondContact O-CG 3.28Å; V216-L220 PolarHBondContact O-N 3.07Å
217S82.8Confident74.9Confident3 Ų339.7 Ų39.72%0.02120%0.198CC..Hα-helixtrans-59.5-53.7174.1-159.30000111.1A14 P213 A214 V219 L220 E221A14-S217 PolarHBondContact O-OG 2.72Å; P213-S217 WeakPolarHBondContact O-CB 3.11Å; P213-S217 PolarHBondContact O-N 3Å; A214-S217 PolarHBondContact O-N 2.87Å; S217-V219 PolarHBondContact O-N 3.47Å; S217-L220 PolarHBondContact O-N 3.49Å; S217-E221 WeakPolarHBondContact O-CB 3.25Å; S217-E221 PolarHBondContact O-N 3.04Å
218L80.6Confident73.2Confident16 Ų1649 Ų498%0.08424%0.241CC..Hα-helixtrans-62.4-42.6-176.8-179.758.8000113.5P17 W18 I21 A214 C215 E221 L222P17-L218 HydrophobicContact CB-CB 4.1Å; P17-L218 HydrophobicContact CG-CB 4.41Å; W18-L218 HydrophobicContact CD2-CD1 4.4Å; W18-L218 HydrophobicContact CD2-CD2 4.2Å; W18-L218 HydrophobicContact CE3-CD2 4.38Å; W18-L218 HydrophobicContact CH2-CD2 4.25Å; W18-L218 HydrophobicContact CZ2-CD1 3.79Å; W18-L218 HydrophobicContact CZ2-CD2 4.06Å; W18-L218 HydrophobicContact CZ3-CD2 4.4Å; I21-L218 HydrophobicContact CD1-CB 4.5Å; I21-L218 HydrophobicContact CD1-CD2 3.69Å; A214-L218 WeakPolarHBondContact O-CB 3.49Å; A214-L218 PolarHBondContact O-N 2.81Å; C215-L218 PolarHBondContact O-N 3.08Å; L218-E221 WeakPolarHBondContact O-CB 3.39Å; L218-E221 PolarHBondContact O-N 2.84Å; L218-L222 HydrophobicContact CD1-CD1 4.02Å; L218-L222 HydrophobicContact CD1-CG 4.07Å; L218-L222 HydrophobicContact CG-CD1 4.02Å; L218-L222 HydrophobicContact CG-CG 4.46Å; L218-L222 WeakPolarHBondContact O-CG 3.2Å; L218-L222 PolarHBondContact O-N 2.98Å
219V75.2Confident71.3Confident46 Ų4652.1 Ų52.128%0.27928%0.277SS..Hα-helixtrans-74.8-28-177.9-176.40000111.5I91 C215 S217 S223I91-V219 HydrophobicContact CB-CG1 4.22Å; I91-V219 HydrophobicContact CG1-CG1 3.97Å; I91-V219 HydrophobicContact CG2-CB 4.38Å; I91-V219 HydrophobicContact CG2-CG1 3.53Å; C215-V219 WeakPolarHBondContact O-CB 3.38Å; C215-V219 VanDerWaalsContact O-CG2 3.28Å; C215-V219 WeakPolarHBondContact O-CG2 3.42Å; C215-V219 PolarHBondContact O-N 3.39Å; S217-V219 PolarHBondContact O-N 3.47Å; V219-S223 WeakPolarHBondContact O-CB 3.26Å; V219-S223 PolarHBondContact O-N 3.23Å
220L72.6Confident69.1Low23 Ų2362 Ų6212%0.1231%0.314CS..Hα-helixtrans-71.8-33.5169.5-70.2174000112.3A144 L145 V153 V216 S217 R224A144-L220 HydrophobicContact CB-CD1 3.71Å; L145-L220 HydrophobicContact CD2-CD2 3.99Å; V153-L220 HydrophobicContact CG1-CD1 3.98Å; V216-L220 HydrophobicContact CG1-CD1 3.96Å; V216-L220 WeakPolarHBondContact O-CB 3.46Å; V216-L220 VanDerWaalsContact O-CG 3.26Å; V216-L220 WeakPolarHBondContact O-CG 3.28Å; V216-L220 PolarHBondContact O-N 3.07Å; S217-L220 PolarHBondContact O-N 3.49Å; L220-R224 PolarHBondContact O-N 2.76Å
221E74.7Confident66.9Low50 Ų5067.5 Ų67.523%0.23435%0.35CS..Hα-helixtrans-63.7-59173.1-170.7150.4-133.600111R154 S217 L218 S223 R224 E225R154-E221 IonicContact CZ-OE1 2.63Å; R154-E221 IonicContact NH1-OE1 3.36Å; R154-E221 IonicContact NH2-OE1 2.89Å; R154-E221 PolarHBondContact NH2-OE1 3.03Å; R154-E221 IonicContact NH2-OE2 3.87Å; R154-E221 PolarHBondContact NH2-OE2 3.36Å; S217-E221 WeakPolarHBondContact O-CB 3.25Å; S217-E221 PolarHBondContact O-N 3.04Å; L218-E221 WeakPolarHBondContact O-CB 3.39Å; L218-E221 PolarHBondContact O-N 2.84Å; E221-S223 VanDerWaalsContact C-N 3.3Å; E221-S223 PolarHBondContact O-N 3.13Å; E221-R224 PolarHBondContact O-N 3.02Å; E221-E225 PolarHBondContact O-N 3.21Å
222L72.8Confident65.1Low86 Ų8672.2 Ų72.245%0.4537%0.374SS..Hα-helixtrans-59.5-36.3177.4-65172.9000113L218 R224 S226L218-L222 HydrophobicContact CD1-CD1 4.02Å; L218-L222 HydrophobicContact CD1-CG 4.07Å; L218-L222 HydrophobicContact CG-CD1 4.02Å; L218-L222 HydrophobicContact CG-CG 4.46Å; L218-L222 WeakPolarHBondContact O-CG 3.2Å; L218-L222 PolarHBondContact O-N 2.98Å; L222-R224 VanDerWaalsContact C-N 3.27Å; L222-R224 PolarHBondContact O-N 2.74Å; L222-S226 PolarHBondContact O-N 3.13Å
223S65.9Low63.5Low40 Ų4077.2 Ų77.228%0.2839%0.393SS..Hα-helixtrans-68-25.8178.2-176.10000113I91 V219 E221 S226I91-S223 WeakPolarHBondContact CD1-OG 3.41Å; V219-S223 WeakPolarHBondContact O-CB 3.26Å; V219-S223 PolarHBondContact O-N 3.23Å; E221-S223 VanDerWaalsContact C-N 3.3Å; E221-S223 PolarHBondContact O-N 3.13Å; S223-S226 PolarHBondContact O-OG 3.32Å
224R62.2Low61.5Low96 Ų9686 Ų8636%0.36243%0.434SS..Hα-helixtrans-82.3-37179.4-86.1174.6164.61650.7112.7S147 S149 Q150 L220 E221 L222 S226S147-R224 PolarHBondContact O-NH2 3.35Å; S149-R224 VanDerWaalsContact C-NH1 3.33Å; S149-R224 PolarHBondContact O-NH1 3.31Å; Q150-R224 VanDerWaalsContact CD-CD 3.49Å; L220-R224 PolarHBondContact O-N 2.76Å; E221-R224 PolarHBondContact O-N 3.02Å; L222-R224 VanDerWaalsContact C-N 3.27Å; L222-R224 PolarHBondContact O-N 2.74Å; R224-S226 VanDerWaalsContact C-N 3.28Å; R224-S226 PolarHBondContact O-N 3.02Å
225E57.3Low59.9Low150 Ų15088.7 Ų88.770%0.70145%0.448SS*.Hα-helixtrans-64.4-33175-66.4-171.2126.800112.7E221 R227E221-E225 PolarHBondContact O-N 3.21Å; E225-R227 PolarHBondContact O-N 3.44Å
226S56.5Low58.2Low82 Ų8290.6 Ų90.657%0.57346%0.461SS*.THydrogen-bonded Turntrans-65.9-7.1-173.772.60000116.6L222 S223 R224L222-S226 PolarHBondContact O-N 3.13Å; S223-S226 PolarHBondContact O-OG 3.32Å; R224-S226 VanDerWaalsContact C-N 3.28Å; R224-S226 PolarHBondContact O-N 3.02Å
227R49.8Very low56.6Low171 Ų17197 Ų9765%0.64549%0.49SS*.  trans-147.697.5-171-68.2-173.5179.8-157.2-5114.1E225 G229E225-R227 PolarHBondContact O-N 3.44Å; R227-G229 PolarHBondContact O-N 2.89Å
228E44.9Very low54.7Low197 Ų197103.8 Ų103.892%0.92152%0.52SS*.SBendtrans-60.9132.3165.6-63.3-173.5133.100112R230E228-R230 PolarHBondContact O-N 2.67Å
229G42.1Very low52.9Low78 Ų78104 Ų10480%0.80452%0.523SS*.SBendtrans87.2-0.2150.600000119.9R227R227-G229 PolarHBondContact O-N 2.89Å
230R36.8Very low51.3Low217 Ų217110.7 Ų110.782%0.81954%0.544SS*.  trans-141.3116.2172.4-65.9-168.9-173.6-159.92.2114.2E228 I232E228-R230 PolarHBondContact O-N 2.67Å; R230-I232 PolarHBondContact O-N 2.92Å; R230-I232 VanDerWaalsContact O-N 3.08Å
231P39.3Very low49.8Very low132 Ų132113.8 Ų113.886%0.85756%0.563SS**  trans-76.796.9175.231.3-33.6000111.2W233P231-W233 VanDerWaalsContact C-N 3.35Å; P231-W233 PolarHBondContact O-N 2.89Å
232I44Very low48.2Very low101 Ų101115.1 Ų115.152%0.51857%0.572SS.*  trans-75.996.3152.9-59.6175.3000106R230R230-I232 PolarHBondContact O-N 2.92Å; R230-I232 VanDerWaalsContact O-N 3.08Å
233W48.8Very low46.8Very low104 Ų104115.1 Ų115.139%0.39457%0.569SS.*  trans178.381.9141.6-77.6133.7000109.8G87 P231 L235G87-W233 WeakPolarHBondContact O-CH2 3.22Å; G87-W233 WeakPolarHBondContact O-CZ2 3.41Å; G87-W233 VanDerWaalsContact O-CZ3 3.25Å; G87-W233 WeakPolarHBondContact O-CZ3 3.34Å; P231-W233 VanDerWaalsContact C-N 3.35Å; P231-W233 PolarHBondContact O-N 2.89Å; W233-L235 HydrophobicContact CE3-CD1 3.87Å; W233-L235 HydrophobicContact CZ3-CD1 4.36Å; W233-L235 PolarHBondContact O-N 3.25Å
234Q42.7Very low45.7Very low184 Ų184121.6 Ų121.686%0.8660%0.595SS**THydrogen-bonded Turntrans-77.428172.4-145.1169.85.300112.2
235L49.7Very low44.8Very low57 Ų57125.5 Ų125.530%0.29862%0.617SS.*THydrogen-bonded Turntrans-88-7.8-176.7-10794.9000113.9W233 H237 F238 A239W233-L235 HydrophobicContact CE3-CD1 3.87Å; W233-L235 HydrophobicContact CZ3-CD1 4.36Å; W233-L235 PolarHBondContact O-N 3.25Å; L235-H237 PolarHBondContact O-N 3.26Å; L235-H237 VanDerWaalsContact O-N 3.13Å; L235-F238 PolarHBondContact O-N 3.49Å; L235-A239 PolarHBondContact O-N 2.84Å
236S45.1Very low44.3Very low56 Ų56123.9 Ų123.939%0.39261%0.61SS.*Hα-helixtrans-55.9-30.6177.453.40000112.9R240S236-R240 WeakPolarHBondContact O-CB 3.13Å; S236-R240 PolarHBondContact O-N 2.87Å
237H44.1Very low44Very low148 Ų148123.4 Ų123.469%0.68560%0.601SS**Hα-helixtrans-78.9-22.2174.2-156.5-55.3000113.9L235 V241L235-H237 PolarHBondContact O-N 3.26Å; L235-H237 VanDerWaalsContact O-N 3.13Å; H237-V241 WeakPolarHBondContact O-CG2 3.49Å
238F42.9Very low44Very low146 Ų146124.9 Ų124.964%0.6461%0.612SS**Hα-helixtrans-87.7-43.2174.8-92.9-82.1000111.9L235 R240 V241 L242L235-F238 PolarHBondContact O-N 3.49Å; F238-R240 PolarHBondContact O-N 3.28Å; F238-V241 PolarHBondContact O-N 3Å; F238-L242 PolarHBondContact O-N 3.05Å; F238-L242 VanDerWaalsContact O-N 3.11Å
239A42.8Very low44.4Very low19 Ų19118 Ų11816%0.15758%0.584CS.*Hα-helixtrans-58.6-47.3176.500000111.3L235 V241 L242 E243L235-A239 PolarHBondContact O-N 2.84Å; A239-V241 VanDerWaalsContact C-N 3.27Å; A239-V241 PolarHBondContact O-N 3.33Å; A239-L242 PolarHBondContact O-N 3.37Å; A239-L242 VanDerWaalsContact O-N 3.13Å; A239-E243 PolarHBondContact O-N 3.42Å
240R41.3Very low45.2Very low188 Ų188118.3 Ų118.371%0.70957%0.568SS**Hα-helixtrans-71.7-16.4-178.7-144.2-170.984.6-178.17114.6S236 F238S236-R240 WeakPolarHBondContact O-CB 3.13Å; S236-R240 PolarHBondContact O-N 2.87Å; F238-R240 PolarHBondContact O-N 3.28Å
241V41Very low46.4Very low88 Ų88111.6 Ų111.653%0.53355%0.552SS.*Hα-helixtrans-84.6-29.1171.7168.90000111H237 F238 A239H237-V241 WeakPolarHBondContact O-CG2 3.49Å; F238-V241 PolarHBondContact O-N 3Å; A239-V241 VanDerWaalsContact C-N 3.27Å; A239-V241 PolarHBondContact O-N 3.33Å
242L42.2Very low47.6Very low78 Ų78109.8 Ų109.841%0.40854%0.539SS..Hα-helixtrans-83.8-14.9174.2-72.1164.5000113.9F238 A239 E244F238-L242 PolarHBondContact O-N 3.05Å; F238-L242 VanDerWaalsContact O-N 3.11Å; A239-L242 PolarHBondContact O-N 3.37Å; A239-L242 VanDerWaalsContact O-N 3.13Å; L242-E244 VanDerWaalsContact C-N 3.31Å; L242-E244 PolarHBondContact O-N 2.94Å
243E43.1Very low48.4Very low85 Ų85108.4 Ų108.440%0.39754%0.535SS..THydrogen-bonded Turntrans-70.6-19.6177.3-85.5-171.813900114.2A239A239-E243 PolarHBondContact O-N 3.42Å
244E43.8Very low49Very low176 Ų176106.2 Ų106.282%0.82253%0.529SS*.THydrogen-bonded Turntrans-90.8-26-174.2-64.2-162.4126.800114.8L242L242-E244 VanDerWaalsContact C-N 3.31Å; L242-E244 PolarHBondContact O-N 2.94Å
245E42.6Very low50.4Low178 Ų178105.8 Ų105.883%0.83252%0.52SS*.THydrogen-bonded Turntrans-96.4-40.4-176-68.4-164.9123.100115.3
246E46.3Very low51.5Low116 Ų116107.3 Ų107.354%0.54253%0.531SS..SBendtrans-96.7-26.2-148.3-146.3-176.6-145.900117K142K142-E246 IonicContact NZ-OE2 2.62Å; K142-E246 PolarHBondContact NZ-OE2 3.19Å
247N50.9Low52.5Low73 Ų73107.6 Ų107.639%0.3953%0.525SS..  trans-135.453.5-161.8-87-78.5000117
248K49Very low53.7Low201 Ų201106 Ų10687%0.87452%0.519SS*.  trans-103.8109153.1-77.4173.3-174.5156.90109N250K248-N250 PolarHBondContact O-N 3.06Å
249P53.5Low55.2Low52 Ų52104.9 Ų104.934%0.33852%0.519SS..  trans-63.9127.1-177.426.4-34.5000110.3T167 P251 Q254T167-P249 HydrophobicContact CG2-CB 4.4Å; P249-P251 WeakPolarHBondContact O-CD 3.03Å; P249-Q254 HydrophobicContact CB-CG 4.27Å; P249-Q254 VanDerWaalsContact CG-NE2 3.35Å
250N59.3Low56.6Low86 Ų86108.3 Ų108.346%0.4653%0.533SS..  trans-59.6120.6-175.7179.2-22.7000110.3K248 V252 T253 Q254K248-N250 PolarHBondContact O-N 3.06Å; N250-V252 PolarHBondContact O-N 2.98Å; N250-V252 WeakPolarHBondContact OD1-CB 3.22Å; N250-V252 PolarHBondContact OD1-N 2.97Å; N250-T253 PolarHBondContact O-N 3.13Å; N250-Q254 PolarHBondContact O-N 3.38Å
251P62.4Low57.8Low76 Ų76100.1 Ų100.149%0.49450%0.504SS..Hα-helixtrans-67.6-22.1-174.727.5-35.6000112.9P249 R255P249-P251 WeakPolarHBondContact O-CD 3.03Å; P251-R255 WeakPolarHBondContact O-CB 3.4Å; P251-R255 WeakPolarHBondContact O-CD 3.33Å; P251-R255 WeakPolarHBondContact O-CG 3.33Å; P251-R255 PolarHBondContact O-N 3.36Å; P251-R255 VanDerWaalsContact O-N 3.12Å
252V64.3Low59.3Low94 Ų94101 Ų10157%0.5751%0.505SS*.Hα-helixtrans-69.7-48170.9-174.70000109.6N250 Q254 R255 V256N250-V252 PolarHBondContact O-N 2.98Å; N250-V252 WeakPolarHBondContact OD1-CB 3.22Å; N250-V252 PolarHBondContact OD1-N 2.97Å; V252-Q254 PolarHBondContact O-N 3.03Å; V252-R255 PolarHBondContact O-N 3.42Å; V252-R255 VanDerWaalsContact O-N 3.15Å; V252-V256 WeakPolarHBondContact O-CG2 3.49Å; V252-V256 PolarHBondContact O-N 3.4Å
253T61.3Low60.8Low71 Ų7198.7 Ų98.744%0.43650%0.501SS..Hα-helixtrans-63.2-40.4179-46.40000112.1N250 V256 K257N250-T253 PolarHBondContact O-N 3.13Å; T253-V256 PolarHBondContact O-N 3.49Å; T253-K257 WeakPolarHBondContact O-CB 3.4Å; T253-K257 WeakPolarHBondContact O-CG 3.39Å; T253-K257 PolarHBondContact O-N 3.11Å
254Q61.2Low62Low58 Ų5896.6 Ų96.627%0.27149%0.492SS..Hα-helixtrans-62.2-42.6172.2-75.6-173.9-26.200112.2T167 P249 N250 V252 K257 M258T167-Q254 PolarHBondContact OG1-NE2 2.94Å; P249-Q254 HydrophobicContact CB-CG 4.27Å; P249-Q254 VanDerWaalsContact CG-NE2 3.35Å; N250-Q254 PolarHBondContact O-N 3.38Å; V252-Q254 PolarHBondContact O-N 3.03Å; Q254-K257 PolarHBondContact O-N 3.45Å; Q254-M258 WeakPolarHBondContact O-CB 3.48Å; Q254-M258 WeakPolarHBondContact O-CG 3.47Å; Q254-M258 PolarHBondContact O-N 3.27Å
255R71.3Confident63.3Low176 Ų17691.5 Ų91.566%0.66447%0.473SS*.Hα-helixtrans-64.2-40.1175.6-74.1167.6-174.4-170.51.8112.1P251 V252 M258 I259P251-R255 WeakPolarHBondContact O-CB 3.4Å; P251-R255 WeakPolarHBondContact O-CD 3.33Å; P251-R255 WeakPolarHBondContact O-CG 3.33Å; P251-R255 PolarHBondContact O-N 3.36Å; P251-R255 VanDerWaalsContact O-N 3.12Å; V252-R255 PolarHBondContact O-N 3.42Å; V252-R255 VanDerWaalsContact O-N 3.15Å; R255-M258 PolarHBondContact O-N 3.4Å; R255-I259 WeakPolarHBondContact O-CD1 3.36Å; R255-I259 VanDerWaalsContact O-CG1 3.26Å; R255-I259 WeakPolarHBondContact O-CG1 3.29Å; R255-I259 PolarHBondContact O-N 3.37Å
256V72.4Confident64.7Low88 Ų8888.2 Ų88.253%0.53346%0.46SS..Hα-helixtrans-63.7-46.5174.6171.30000110.8V252 T253 M258 I259 M260V252-V256 WeakPolarHBondContact O-CG2 3.49Å; V252-V256 PolarHBondContact O-N 3.4Å; T253-V256 PolarHBondContact O-N 3.49Å; V256-M258 VanDerWaalsContact C-N 3.33Å; V256-M258 PolarHBondContact O-N 3.27Å; V256-I259 PolarHBondContact O-N 3.28Å; V256-M260 WeakPolarHBondContact O-CB 3.37Å; V256-M260 PolarHBondContact O-N 2.88Å
257K66.5Low65.8Low62 Ų6287.2 Ų87.227%0.2746%0.462SS..Hα-helixtrans-59-41174.4-77-178170.7-176.10112.4L170 D171 V174 T253 Q254 M260 S261L170-K257 HydrophobicContact CD2-CB 3.8Å; L170-K257 HydrophobicContact CG-CB 4.2Å; D171-K257 VanDerWaalsContact OD1-CD 3.22Å; D171-K257 WeakPolarHBondContact OD1-CD 3.37Å; D171-K257 WeakPolarHBondContact OD1-CE 3.41Å; D171-K257 IonicContact OD1-NZ 2.92Å; D171-K257 PolarHBondContact OD1-NZ 2.82Å; D171-K257 IonicContact OD2-NZ 2.67Å; D171-K257 PolarHBondContact OD2-NZ 3.3Å; V174-K257 HydrophobicContact CG2-CB 4.49Å; T253-K257 WeakPolarHBondContact O-CB 3.4Å; T253-K257 WeakPolarHBondContact O-CG 3.39Å; T253-K257 PolarHBondContact O-N 3.11Å; Q254-K257 PolarHBondContact O-N 3.45Å; K257-M260 PolarHBondContact O-N 3.13Å; K257-S261 WeakPolarHBondContact O-CB 3.26Å; K257-S261 PolarHBondContact O-N 2.99Å; K257-S261 PolarHBondContact O-OG 3.06Å
258M70.1Confident66.3Low115 Ų11586.2 Ų86.257%0.56746%0.455SS*.Hα-helixtrans-64.9-40.5174.9-72.3-93.3-66.500113.4L170 Q254 R255 V256 S261 L262L170-M258 HydrophobicContact CD1-CG 4.02Å; L170-M258 HydrophobicContact CD1-SD 3.95Å; L170-M258 HydrophobicContact CD2-CG 3.9Å; L170-M258 HydrophobicContact CD2-SD 4.49Å; Q254-M258 WeakPolarHBondContact O-CB 3.48Å; Q254-M258 WeakPolarHBondContact O-CG 3.47Å; Q254-M258 PolarHBondContact O-N 3.27Å; R255-M258 PolarHBondContact O-N 3.4Å; V256-M258 VanDerWaalsContact C-N 3.33Å; V256-M258 PolarHBondContact O-N 3.27Å; M258-S261 PolarHBondContact O-OG 3.04Å; M258-L262 VanDerWaalsContact O-CB 3.25Å; M258-L262 WeakPolarHBondContact O-CB 3.33Å; M258-L262 PolarHBondContact O-N 3.49Å
259I74.7Confident67Low123 Ų12378.7 Ų78.763%0.63143%0.43SS*.Hα-helixtrans-68.6-39.9176.5-69.2162.8000110.2R255 V256 G263R255-I259 WeakPolarHBondContact O-CD1 3.36Å; R255-I259 VanDerWaalsContact O-CG1 3.26Å; R255-I259 WeakPolarHBondContact O-CG1 3.29Å; R255-I259 PolarHBondContact O-N 3.37Å; V256-I259 PolarHBondContact O-N 3.28Å; I259-G263 PolarHBondContact O-N 3.23Å
260M72.4Confident67.5Low90 Ų9082.3 Ų82.344%0.44344%0.442SS..Hα-helixtrans-67.1-44.7177.6-170.4179.677.400112.2V174 V256 K257 G263 L264V174-M260 HydrophobicContact CG1-CE 3.5Å; V174-M260 HydrophobicContact CG2-CE 4.4Å; V256-M260 WeakPolarHBondContact O-CB 3.37Å; V256-M260 PolarHBondContact O-N 2.88Å; K257-M260 PolarHBondContact O-N 3.13Å; M260-G263 PolarHBondContact O-N 3.39Å; M260-L264 HydrophobicContact CG-CD1 4.45Å; M260-L264 WeakPolarHBondContact O-CG 3.35Å; M260-L264 PolarHBondContact O-N 3.43Å
261S66.4Low67.5Low16 Ų1681 Ų8111%0.11244%0.44CS..Hα-helixtrans-66.5-41.2176.261.50000111.9K257 M258 G263 L264 V265K257-S261 WeakPolarHBondContact O-CB 3.26Å; K257-S261 PolarHBondContact O-N 2.99Å; K257-S261 PolarHBondContact O-OG 3.06Å; M258-S261 PolarHBondContact O-OG 3.04Å; S261-G263 VanDerWaalsContact C-N 3.31Å; S261-G263 PolarHBondContact O-N 3.22Å; S261-L264 PolarHBondContact O-N 3.36Å; S261-V265 WeakPolarHBondContact O-CB 3.35Å; S261-V265 VanDerWaalsContact O-CG2 3.31Å; S261-V265 WeakPolarHBondContact O-CG2 3.24Å; S261-V265 PolarHBondContact O-N 2.87Å
262L72.1Confident67.3Low106 Ų10685 Ų8556%0.55545%0.445SS*.Hα-helixtrans-60.8-41.1173.1-177.262.9000111.6M258 V265 L266M258-L262 VanDerWaalsContact O-CB 3.25Å; M258-L262 WeakPolarHBondContact O-CB 3.33Å; M258-L262 PolarHBondContact O-N 3.49Å; L262-V265 PolarHBondContact O-N 3.26Å; L262-L266 HydrophobicContact CD1-CD1 4.44Å; L262-L266 HydrophobicContact CG-CD1 4.16Å; L262-L266 WeakPolarHBondContact O-CB 3.45Å; L262-L266 VanDerWaalsContact O-CG 3.28Å; L262-L266 WeakPolarHBondContact O-CG 3.3Å; L262-L266 PolarHBondContact O-N 3.15Å
263G72.7Confident66.6Low31 Ų3191.4 Ų91.432%0.3246%0.459SS..Hα-helixtrans-60.4-47.4173.500000112.7I259 M260 S261 L266 V267I259-G263 PolarHBondContact O-N 3.23Å; M260-G263 PolarHBondContact O-N 3.39Å; S261-G263 VanDerWaalsContact C-N 3.31Å; S261-G263 PolarHBondContact O-N 3.22Å; G263-L266 PolarHBondContact O-N 3.04Å; G263-V267 WeakPolarHBondContact O-CG2 3.36Å; G263-V267 PolarHBondContact O-N 2.89Å
264L69.1Low66.2Low40 Ų4093.7 Ų93.721%0.20947%0.468CS..Hα-helixtrans-64-39.8176.5-71.6169.6000112.4L177 V178 V181 M260 S261 V267 H268L177-L264 HydrophobicContact CB-CB 4.2Å; L177-L264 HydrophobicContact CB-CD1 4.19Å; L177-L264 HydrophobicContact CD1-CB 4.48Å; V178-L264 HydrophobicContact CG2-CD1 3.82Å; V181-L264 HydrophobicContact CG2-CD2 4.18Å; M260-L264 HydrophobicContact CG-CD1 4.45Å; M260-L264 WeakPolarHBondContact O-CG 3.35Å; M260-L264 PolarHBondContact O-N 3.43Å; S261-L264 PolarHBondContact O-N 3.36Å; L264-V267 PolarHBondContact O-N 2.88Å; L264-H268 VanDerWaalsContact O-CB 3.32Å; L264-H268 WeakPolarHBondContact O-CB 3.27Å; L264-H268 PolarHBondContact O-N 3.28Å
265V70.4Confident65.5Low69 Ų6994.3 Ų94.342%0.41848%0.483SS..Hα-helixtrans-61.8-44.8173.5168.80000111L177 S261 L262 H268 A269L177-V265 HydrophobicContact CD1-CG2 3.69Å; L177-V265 HydrophobicContact CD2-CG2 3.7Å; L177-V265 HydrophobicContact CG-CG2 4.36Å; S261-V265 WeakPolarHBondContact O-CB 3.35Å; S261-V265 VanDerWaalsContact O-CG2 3.31Å; S261-V265 WeakPolarHBondContact O-CG2 3.24Å; S261-V265 PolarHBondContact O-N 2.87Å; L262-V265 PolarHBondContact O-N 3.26Å; V265-H268 PolarHBondContact O-N 2.96Å; V265-A269 WeakPolarHBondContact O-CB 3.29Å; V265-A269 PolarHBondContact O-N 3.18Å
266L71.5Confident63.8Low109 Ų10992.4 Ų92.457%0.57149%0.486SS*.Hα-helixtrans-65.5-40.9178.2-72.5168.2000112L262 G263 H270L262-L266 HydrophobicContact CD1-CD1 4.44Å; L262-L266 HydrophobicContact CG-CD1 4.16Å; L262-L266 WeakPolarHBondContact O-CB 3.45Å; L262-L266 VanDerWaalsContact O-CG 3.28Å; L262-L266 WeakPolarHBondContact O-CG 3.3Å; L262-L266 PolarHBondContact O-N 3.15Å; G263-L266 PolarHBondContact O-N 3.04Å; L266-H270 WeakPolarHBondContact O-CB 3.28Å; L266-H270 PolarHBondContact O-N 3.28Å
267V70.4Confident62.3Low96 Ų9693.7 Ų93.758%0.58250%0.496SS*.Hα-helixtrans-64-46.6174.4169.40000111.2G263 L264 H270 S271G263-V267 WeakPolarHBondContact O-CG2 3.36Å; G263-V267 PolarHBondContact O-N 2.89Å; L264-V267 PolarHBondContact O-N 2.88Å; V267-H270 PolarHBondContact O-N 3.07Å; V267-S271 VanDerWaalsContact O-CB 3.26Å; V267-S271 WeakPolarHBondContact O-CB 3.27Å; V267-S271 PolarHBondContact O-N 2.88Å
268H61.2Low60.4Low51 Ų5195.9 Ų95.924%0.23652%0.519CS..Hα-helixtrans-66.1-40.9179.3-16781.4000111.9M184 L264 V265 S271 R272M184-H268 PolarHBondContact SD-CE1 3.09Å; M184-H268 PolarHBondContact SD-ND1 3.49Å; L264-H268 VanDerWaalsContact O-CB 3.32Å; L264-H268 WeakPolarHBondContact O-CB 3.27Å; L264-H268 PolarHBondContact O-N 3.28Å; V265-H268 PolarHBondContact O-N 2.96Å; H268-S271 PolarHBondContact O-N 3.15Å; H268-R272 WeakPolarHBondContact O-CB 3.38Å; H268-R272 PolarHBondContact O-N 3.34Å
269A63.2Low59.6Low43 Ų4395.9 Ų95.936%0.35553%0.527SS..Hα-helixtrans-63.7-49.1174.900000111.5V265 S271 R272 W273V265-A269 WeakPolarHBondContact O-CB 3.29Å; V265-A269 PolarHBondContact O-N 3.18Å; A269-S271 VanDerWaalsContact C-N 3.34Å; A269-S271 PolarHBondContact O-N 3.49Å; A269-R272 PolarHBondContact O-N 3.16Å; A269-W273 WeakPolarHBondContact O-CB 3.44Å; A269-W273 PolarHBondContact O-N 3.05Å
270H63.6Low57.3Low128 Ų12898.7 Ų98.759%0.59354%0.538SS*.Hα-helixtrans-58.6-44.6176.4-175.6-89.6000111.7L266 V267 R272 W273 I274L266-H270 WeakPolarHBondContact O-CB 3.28Å; L266-H270 PolarHBondContact O-N 3.28Å; V267-H270 PolarHBondContact O-N 3.07Å; H270-R272 VanDerWaalsContact C-N 3.31Å; H270-R272 PolarHBondContact O-N 3.43Å; H270-W273 PolarHBondContact O-N 3.18Å; H270-I274 WeakPolarHBondContact CE1-CD1 3.38Å; H270-I274 WeakPolarHBondContact O-CG1 3.35Å; H270-I274 PolarHBondContact O-N 3.35Å
271S59.8Low55.2Low60 Ų60101.4 Ų101.442%0.4255%0.554SS.*Hα-helixtrans-73.6-16.5179.5-1630000114.4M184 V267 H268 A269M184-S271 VanDerWaalsContact CE-OG 3.27Å; M184-S271 WeakPolarHBondContact CE-OG 3.41Å; V267-S271 VanDerWaalsContact O-CB 3.26Å; V267-S271 WeakPolarHBondContact O-CB 3.27Å; V267-S271 PolarHBondContact O-N 2.88Å; H268-S271 PolarHBondContact O-N 3.15Å; A269-S271 VanDerWaalsContact C-N 3.34Å; A269-S271 PolarHBondContact O-N 3.49Å
272R57.8Low53.4Low159 Ų159105.8 Ų105.860%0.659%0.585SS**Hα-helixtrans-96.4-22.1171.3-81.2-133.5-177.8-167.8-0.9114.3M184 H268 A269 H270M184-R272 HydrophobicContact CE-CG 4.22Å; H268-R272 WeakPolarHBondContact O-CB 3.38Å; H268-R272 PolarHBondContact O-N 3.34Å; A269-R272 PolarHBondContact O-N 3.16Å; H270-R272 VanDerWaalsContact C-N 3.31Å; H270-R272 PolarHBondContact O-N 3.43Å
273W49.7Very low51.3Low228 Ų228107.2 Ų107.286%0.86460%0.598SS**Hα-helixtrans-85.2-18.2179.3-142.8-65.7000112.6A269 H270A269-W273 WeakPolarHBondContact O-CB 3.44Å; A269-W273 PolarHBondContact O-N 3.05Å; H270-W273 PolarHBondContact O-N 3.18Å
274I53.7Low49.1Very low120 Ų120109.8 Ų109.862%0.61562%0.617SS**SBendtrans-90.3-5.7179.5-69174.7000112.6H270H270-I274 WeakPolarHBondContact CE1-CD1 3.38Å; H270-I274 WeakPolarHBondContact O-CG1 3.35Å; H270-I274 PolarHBondContact O-N 3.35Å
275A45.9Very low47.2Very low70 Ų70115 Ų11558%0.57964%0.644SS**SBendtrans-136.5108.2170.100000108.8
276D36.3Very low45Very low136 Ų136117.3 Ų117.373%0.72766%0.659SS**  cis-151.6158.510.3-146.7-34.6000107.7S278D276-S278 PolarHBondContact OD1-N 3.48Å
277P41.8Very low42.9Very low116 Ų116116.5 Ų116.575%0.75366%0.662SS**  -153.4144.487.237.2-17.9000116.7
278S26.3Very low40.8Very low107 Ų107121.5 Ų121.575%0.74868%0.677SS**  -176.2150.6109.945.90000114.1D276D276-S278 PolarHBondContact OD1-N 3.48Å
279P52.4Low39.1Very low115 Ų115125.1 Ų125.175%0.74770%0.702SS**  trans-100.4138.2-175.736.3-31.9000113.9
280Q27.5Very low37.3Very low183 Ų183128 Ų12886%0.85572%0.719SS**  trans-165.4125146.4-112.3156.748.900114.9
281N27.8Very low35.5Very low146 Ų146129.5 Ų129.578%0.78173%0.731SS**  trans14.7128.7138.2-50.7-15.4000119.3
282S27.4Very low33.8Very low108 Ų108129.9 Ų129.976%0.75574%0.744SS**  178.6119.595.8-72.20000114.3
283T28Very low32.4Very low137 Ų137129.1 Ų129.184%0.8475%0.751SS**  trans16.6128.3145.554.20000121.5
284A27.5Very low31.3Very low85 Ų85124.8 Ų124.870%0.70275%0.745SS**  179.8121.99900000113.9
285D28.3Very low30.1Very low148 Ų148127.6 Ų127.679%0.79176%0.755SS**  48.5149.9126.2-62-23.2000123.1
286T25.4Very low29.4Very low119 Ų119132.4 Ų132.473%0.7377%0.772SS**  cis-166.7169.6-4.127.40000108.7
287S26Very low29.1Very low91 Ų91130.7 Ų130.764%0.63677%0.766SS**  cis-172.8155.4-34.962.60000109.6
288K26.6Very low28.4Very low202 Ų202131.2 Ų131.288%0.87877%0.772SS**  trans179.4111.1160-98.2150.6-171.4178.60107.8
289V26.9Very low28.4Very low126 Ų126134.7 Ų134.776%0.76477%0.774SS**  67.9121.159.2179.40000111.5
290S24.6Very low27.3Very low103 Ų103140 Ų14072%0.7278%0.779SS**  cis-165.6-171.9-10.8-88.60000107.3
291L26Very low27.4Very low161 Ų161137 Ų13784%0.84377%0.767SS**  cis-163.8153.99.2-141.7169.3000109.1L293L291-L293 HydrophobicContact CD2-CD1 4.47Å
292G24.8Very low27.7Very low68 Ų68137.5 Ų137.570%0.70177%0.765SS**  trans160.8143.6164.500000114.7
293L27.6Very low28.3Very low142 Ų142136.3 Ų136.374%0.74376%0.755SS**  trans-113.6159.4-176.8-81.987.3000113.6L291L291-L293 HydrophobicContact CD2-CD1 4.47Å
294D26.5Very low28.9Very low138 Ų138135.5 Ų135.574%0.73876%0.755SS**  trans41.2124.9146.9-54.5-17.4000121.6
295E27.6Very low30Very low178 Ų178134.7 Ų134.783%0.83274%0.741SS**  -174.915395.2-98-16013900113.1V297E295-V297 HydrophobicContact CB-CG2 4.49Å
296N33.1Very low31.1Very low172 Ų172130.4 Ų130.492%0.9272%0.723SS**  trans-87.6110.1170.8-97.4-39.9000110.6
297V28.1Very low32.3Very low100 Ų100130.2 Ų130.261%0.60672%0.717SS**  trans-130103.8174.2-175.10000112.5E295 K299E295-V297 HydrophobicContact CB-CG2 4.49Å; V297-K299 HydrophobicContact CG1-CG 4.33Å; V297-K299 PolarHBondContact O-N 3.33Å; V297-K299 VanDerWaalsContact O-N 3.09Å
298S28.8Very low33.4Very low127 Ų127135.6 Ų135.689%0.88872%0.723SS**  trans-70.894.8174.8-55.40000112.2R300S298-R300 PolarHBondContact O-N 2.98Å
299K26.4Very low34.6Very low179 Ų179131.7 Ų131.778%0.77871%0.708SS**  trans-83.2103173.6-72.9-175.4177.7175.80111.8V297V297-K299 HydrophobicContact CG1-CG 4.33Å; V297-K299 PolarHBondContact O-N 3.33Å; V297-K299 VanDerWaalsContact O-N 3.09Å
300R28.4Very low35.8Very low228 Ų228128.2 Ų128.286%0.8668%0.683SS**  trans-67.7136161.8-177.9-173.1-71.1-166.7-1.5108.8S298S298-R300 PolarHBondContact O-N 2.98Å
301I30.1Very low36.9Very low118 Ų118129.6 Ų129.661%0.60567%0.673SS**  trans-130.1142.8174.9-54.8-180000108.2Y48Y48-I301 HydrophobicContact CE1-CB 4.38Å; Y48-I301 HydrophobicContact CE1-CG2 3.77Å; Y48-I301 PolarHBondContact OH-O 2.86Å
302E33.9Very low38.1Very low157 Ų157125.8 Ų125.873%0.73465%0.653SS**  trans-107.1146.6178.2-65.6-176.8150.400111Y48Y48-E302 WeakPolarHBondContact OH-CA 3.37Å
303P38.8Very low39.5Very low83 Ų83126.4 Ų126.454%0.53965%0.646SS.*  trans-78.3132.3-172.930.4-34.5000112Y48Y48-P303 VanDerWaalsContact OH-N 3.16Å
304S41.1Very low40.5Very low120 Ų120125.9 Ų125.984%0.83964%0.638SS**SBendtrans-84.2-9.8-17354.20000115.7
305V51.4Low41.3Very low68 Ų68125.8 Ų125.841%0.41264%0.635SS.*SBendtrans-143.5151.2-178.8-83.90000112.6
306S50.9Low42.2Very low58 Ų58123.8 Ų123.841%0.40663%0.629SS.*  trans-67.9145.3175.971.30000112W308 Q309 F310S306-W308 PolarHBondContact O-N 3.36Å; S306-W308 VanDerWaalsContact O-N 3.13Å; S306-Q309 PolarHBondContact O-N 3.37Å; S306-Q309 WeakPolarHBondContact OG-CG 3.5Å; S306-Q309 PolarHBondContact OG-OE1 3.25Å; S306-F310 PolarHBondContact O-N 2.96Å; S306-F310 VanDerWaalsContact O-N 3.09Å
307L49.6Very low42.9Very low116 Ų116119.2 Ų119.261%0.60761%0.61SS**Hα-helixtrans-50.5-39.6178.6-87.6162.6000112.8F310 Y311L307-F310 PolarHBondContact O-N 3.37Å; L307-Y311 HydrophobicContact CD2-CE2 4.36Å; L307-Y311 WeakPolarHBondContact O-CD2 3.46Å; L307-Y311 PolarHBondContact O-N 3.07Å
308W50.2Low44Very low204 Ų204118.2 Ų118.277%0.77360%0.6SS**Hα-helixtrans-68.4-37.9-179.4-122.382.5000112.8S306 L312S306-W308 PolarHBondContact O-N 3.36Å; S306-W308 VanDerWaalsContact O-N 3.13Å; W308-L312 HydrophobicContact CZ3-CD1 4.32Å; W308-L312 VanDerWaalsContact O-CB 3.29Å; W308-L312 WeakPolarHBondContact O-CB 3.26Å; W308-L312 PolarHBondContact O-N 3.3Å
309Q50.7Low45.5Very low119 Ų119116.4 Ų116.456%0.55658%0.58SS**Hα-helixtrans-69.5-36.3174.6-73168.8-64.300112.1S306 L312 S313S306-Q309 PolarHBondContact O-N 3.37Å; S306-Q309 WeakPolarHBondContact OG-CG 3.5Å; S306-Q309 PolarHBondContact OG-OE1 3.25Å; Q309-L312 PolarHBondContact O-N 3.36Å; Q309-S313 VanDerWaalsContact O-CB 3.23Å; Q309-S313 WeakPolarHBondContact O-CB 3.46Å; Q309-S313 PolarHBondContact O-N 3.42Å
310F52.7Low47.3Very low53 Ų53113.9 Ų113.923%0.23257%0.574CS.*Hα-helixtrans-61.4-49.7173.9176.8-97.9000111.5W46 N47 S306 L307 S313 K314W46-F310 WeakPolarHBondContact O-CE1 3.34Å; W46-F310 WeakPolarHBondContact O-CZ 3.4Å; N47-F310 VanDerWaalsContact OD1-CD2 3.24Å; N47-F310 WeakPolarHBondContact OD1-CD2 3.25Å; N47-F310 WeakPolarHBondContact OD1-CG 3.23Å; S306-F310 PolarHBondContact O-N 2.96Å; S306-F310 VanDerWaalsContact O-N 3.09Å; L307-F310 PolarHBondContact O-N 3.37Å; F310-S313 PolarHBondContact O-N 3.35Å; F310-K314 HydrophobicContact CE1-CD 4.34Å; F310-K314 HydrophobicContact CZ-CD 4.27Å; F310-K314 WeakPolarHBondContact O-CB 3.43Å; F310-K314 PolarHBondContact O-N 3.22Å
311Y48.1Very low49.1Very low133 Ų133104.2 Ų104.252%0.52254%0.538SS..Hα-helixtrans-63-42.6175.8-85.9-72.7000112.6L307 K314 M315L307-Y311 HydrophobicContact CD2-CE2 4.36Å; L307-Y311 WeakPolarHBondContact O-CD2 3.46Å; L307-Y311 PolarHBondContact O-N 3.07Å; Y311-K314 PolarHBondContact O-N 3.14Å; Y311-M315 VanDerWaalsContact O-CB 3.29Å; Y311-M315 WeakPolarHBondContact O-CB 3.45Å; Y311-M315 PolarHBondContact O-N 3.35Å
312L51.5Low50.7Low80 Ų80103.2 Ų103.242%0.41953%0.531SS..Hα-helixtrans-65.2-41.7179.7-161.175.8000112W308 Q309 M315 I316W308-L312 HydrophobicContact CZ3-CD1 4.32Å; W308-L312 VanDerWaalsContact O-CB 3.29Å; W308-L312 WeakPolarHBondContact O-CB 3.26Å; W308-L312 PolarHBondContact O-N 3.3Å; Q309-L312 PolarHBondContact O-N 3.36Å; L312-M315 PolarHBondContact O-N 3.06Å; L312-I316 HydrophobicContact CG-CD1 4.5Å; L312-I316 WeakPolarHBondContact O-CD1 3.45Å; L312-I316 WeakPolarHBondContact O-CG1 3.17Å; L312-I316 PolarHBondContact O-N 3.1Å
313S53.7Low52.5Low81 Ų8198.9 Ų98.957%0.56652%0.515SS*.Hα-helixtrans-58.5-51.7173.1-178.80000111.2Q309 F310 M315 I316 S317Q309-S313 VanDerWaalsContact O-CB 3.23Å; Q309-S313 WeakPolarHBondContact O-CB 3.46Å; Q309-S313 PolarHBondContact O-N 3.42Å; F310-S313 PolarHBondContact O-N 3.35Å; S313-M315 VanDerWaalsContact C-N 3.28Å; S313-M315 PolarHBondContact O-N 3.24Å; S313-I316 PolarHBondContact O-N 3.02Å; S313-S317 PolarHBondContact O-N 2.7Å; S313-S317 VanDerWaalsContact O-N 3.1Å
314K48.5Very low54.2Low132 Ų13298.8 Ų98.857%0.57451%0.509SS*.Hα-helixtrans-68.5-24.6-177.3-159.5171.3-173.51750113.7F310 Y311 S317F310-K314 HydrophobicContact CE1-CD 4.34Å; F310-K314 HydrophobicContact CZ-CD 4.27Å; F310-K314 WeakPolarHBondContact O-CB 3.43Å; F310-K314 PolarHBondContact O-N 3.22Å; Y311-K314 PolarHBondContact O-N 3.14Å; K314-S317 WeakPolarHBondContact CA-OG 3.12Å; K314-S317 PolarHBondContact O-OG 3.45Å
315M43.6Very low55.6Low135 Ų13594.2 Ų94.267%0.66548%0.477SS*.Hα-helixtrans-79.8-20.1173.8-160.6-179.381.400112.9Y311 L312 S313Y311-M315 VanDerWaalsContact O-CB 3.29Å; Y311-M315 WeakPolarHBondContact O-CB 3.45Å; Y311-M315 PolarHBondContact O-N 3.35Å; L312-M315 PolarHBondContact O-N 3.06Å; S313-M315 VanDerWaalsContact C-N 3.28Å; S313-M315 PolarHBondContact O-N 3.24Å
316I47.4Very low56.5Low136 Ų13695.9 Ų95.970%0.69748%0.483SS*.Hα-helixtrans-83.4-33.9171.9-68164.5000110.5L312 S313 M318L312-I316 HydrophobicContact CG-CD1 4.5Å; L312-I316 WeakPolarHBondContact O-CD1 3.45Å; L312-I316 WeakPolarHBondContact O-CG1 3.17Å; L312-I316 PolarHBondContact O-N 3.1Å; S313-I316 PolarHBondContact O-N 3.02Å; I316-M318 PolarHBondContact O-N 3.12Å
317S46Very low57.7Low77 Ų7796.4 Ų96.454%0.53849%0.487SS..SBendtrans-79.559.7172.168.40000112.6S313 K314 D319S313-S317 PolarHBondContact O-N 2.7Å; S313-S317 VanDerWaalsContact O-N 3.1Å; K314-S317 WeakPolarHBondContact CA-OG 3.12Å; K314-S317 PolarHBondContact O-OG 3.45Å; S317-D319 PolarHBondContact O-N 2.91Å
318M52.4Low59.2Low78 Ų7893 Ų9338%0.38447%0.468SS..  trans-69.9122.9172.3-74.7-164.670.800111I316 Q322 V323 L326I316-M318 PolarHBondContact O-N 3.12Å; M318-Q322 HydrophobicContact CE-CB 3.97Å; M318-V323 HydrophobicContact CB-CG2 3.78Å; M318-V323 HydrophobicContact CE-CG2 4.03Å; M318-V323 HydrophobicContact SD-CG2 4.4Å; M318-L326 HydrophobicContact CE-CB 4.38Å; M318-L326 HydrophobicContact CE-CD2 3.78Å; M318-L326 HydrophobicContact SD-CD2 4.44Å
319D59.9Low60.4Low90 Ų9085.1 Ų85.148%0.48145%0.447SS..  trans-71.9153.5173-155-24.1000111.1S317 E321 Q322 V323S317-D319 PolarHBondContact O-N 2.91Å; D319-E321 VanDerWaalsContact C-N 3.25Å; D319-E321 PolarHBondContact O-N 3.38Å; D319-Q322 HydrophobicContact CB-CG 4.19Å; D319-Q322 WeakPolarHBondContact O-CA 3.32Å; D319-Q322 WeakPolarHBondContact O-CB 3.45Å; D319-Q322 PolarHBondContact O-N 2.8Å; D319-V323 PolarHBondContact O-N 3.09Å
320I63.8Low61.7Low125 Ų12585 Ų8564%0.64145%0.449SS*.Hα-helixtrans-59.2-38.4-175.5-63.9175.8000110.8Q322 V323 I324I320-Q322 VanDerWaalsContact C-N 3.27Å; I320-Q322 PolarHBondContact O-N 2.9Å; I320-V323 PolarHBondContact O-N 3Å; I320-I324 HydrophobicContact CG2-CD1 3.8Å; I320-I324 HydrophobicContact CG2-CG1 4.43Å; I320-I324 VanDerWaalsContact O-CG1 3.31Å; I320-I324 WeakPolarHBondContact O-CG1 3.49Å; I320-I324 PolarHBondContact O-N 3.07Å
321E66.6Low63.1Low25 Ų2587.8 Ų87.812%0.11747%0.466CS..Hα-helixtrans-56.9-41173.1-52.7-161.5106.200112.4I62 T66 R69 D319 T325I62-E321 HydrophobicContact CG2-CG 4.1Å; I62-E321 VanDerWaalsContact O-OE1 3.09Å; T66-E321 VanDerWaalsContact OG1-CG 3.26Å; T66-E321 WeakPolarHBondContact OG1-CG 3.4Å; T66-E321 PolarHBondContact OG1-OE1 3.05Å; R69-E321 IonicContact CZ-OE2 3.77Å; R69-E321 IonicContact NH1-OE1 3.39Å; R69-E321 PolarHBondContact NH1-OE1 2.88Å; R69-E321 IonicContact NH1-OE2 2.64Å; R69-E321 PolarHBondContact NH1-OE2 3.05Å; D319-E321 VanDerWaalsContact C-N 3.25Å; D319-E321 PolarHBondContact O-N 3.38Å; E321-T325 WeakPolarHBondContact O-CB 3.35Å; E321-T325 WeakPolarHBondContact O-CG2 3.15Å; E321-T325 PolarHBondContact O-N 3.02Å; E321-T325 PolarHBondContact O-OG1 3.09Å
322Q63.6Low64.7Low97 Ų9782.2 Ų82.245%0.45345%0.446SS..Hα-helixtrans-74.8-37.9-176.9-59.2177.11200110.8M318 D319 I320 T325 L326M318-Q322 HydrophobicContact CE-CB 3.97Å; D319-Q322 HydrophobicContact CB-CG 4.19Å; D319-Q322 WeakPolarHBondContact O-CA 3.32Å; D319-Q322 WeakPolarHBondContact O-CB 3.45Å; D319-Q322 PolarHBondContact O-N 2.8Å; I320-Q322 VanDerWaalsContact C-N 3.27Å; I320-Q322 PolarHBondContact O-N 2.9Å; Q322-T325 WeakPolarHBondContact CA-OG1 3.47Å; Q322-T325 PolarHBondContact O-OG1 2.85Å; Q322-L326 WeakPolarHBondContact O-CB 3.1Å; Q322-L326 PolarHBondContact O-N 3.45Å
323V72.7Confident65.7Low66 Ų6680.5 Ų80.540%0.444%0.443SS..Hα-helixtrans-62.7-46173.1179.60000110.8M318 D319 I320 S327M318-V323 HydrophobicContact CB-CG2 3.78Å; M318-V323 HydrophobicContact CE-CG2 4.03Å; M318-V323 HydrophobicContact SD-CG2 4.4Å; D319-V323 PolarHBondContact O-N 3.09Å; I320-V323 PolarHBondContact O-N 3Å; V323-S327 WeakPolarHBondContact O-CB 3.39Å; V323-S327 PolarHBondContact O-N 3.42Å; V323-S327 PolarHBondContact O-OG 3.33Å
324I73.9Confident66.9Low81 Ų8179.7 Ų79.742%0.41543%0.434SS..Hα-helixtrans-64-49.5179.7-69.3168.6000111I320 S327 L328I320-I324 HydrophobicContact CG2-CD1 3.8Å; I320-I324 HydrophobicContact CG2-CG1 4.43Å; I320-I324 VanDerWaalsContact O-CG1 3.31Å; I320-I324 WeakPolarHBondContact O-CG1 3.49Å; I320-I324 PolarHBondContact O-N 3.07Å; I324-S327 PolarHBondContact O-N 3.12Å; I324-L328 WeakPolarHBondContact O-CB 3.49Å; I324-L328 PolarHBondContact O-N 3.12Å
325T69.8Low68.3Low24 Ų2476.8 Ų76.815%0.14742%0.422CS..Hα-helixtrans-68.6-40-177.550.10000112.7R69 I73 E321 Q322 L328 A329R69-T325 HydrophobicContact CB-CG2 3.72Å; I73-T325 HydrophobicContact CD1-CG2 4.23Å; E321-T325 WeakPolarHBondContact O-CB 3.35Å; E321-T325 WeakPolarHBondContact O-CG2 3.15Å; E321-T325 PolarHBondContact O-N 3.02Å; E321-T325 PolarHBondContact O-OG1 3.09Å; Q322-T325 WeakPolarHBondContact CA-OG1 3.47Å; Q322-T325 PolarHBondContact O-OG1 2.85Å; T325-L328 PolarHBondContact O-N 3.12Å; T325-A329 WeakPolarHBondContact O-CB 3.35Å; T325-A329 PolarHBondContact O-N 3.07Å
326L71.2Confident69.8Low104 Ų10472.8 Ų72.855%0.54540%0.4SS..Hα-helixtrans-65.4-40.7173.9-173.266.2000111.6M318 Q322 A329 L330M318-L326 HydrophobicContact CE-CB 4.38Å; M318-L326 HydrophobicContact CE-CD2 3.78Å; M318-L326 HydrophobicContact SD-CD2 4.44Å; Q322-L326 WeakPolarHBondContact O-CB 3.1Å; Q322-L326 PolarHBondContact O-N 3.45Å; L326-A329 PolarHBondContact O-N 3.11Å; L326-L330 VanDerWaalsContact O-CB 3.3Å; L326-L330 WeakPolarHBondContact O-CB 3.3Å; L326-L330 PolarHBondContact O-N 3.22Å
327S77Confident70.9Confident69 Ų6970.2 Ų70.248%0.48339%0.387SS..Hα-helixtrans-63.4-42.6176.9-61.80000112V323 I324 L331V323-S327 WeakPolarHBondContact O-CB 3.39Å; V323-S327 PolarHBondContact O-N 3.42Å; V323-S327 PolarHBondContact O-OG 3.33Å; I324-S327 PolarHBondContact O-N 3.12Å; S327-L331 VanDerWaalsContact O-CB 3.29Å; S327-L331 WeakPolarHBondContact O-CB 3.34Å; S327-L331 PolarHBondContact O-N 2.94Å
328L80.4Confident72Confident43 Ų4373.4 Ų73.423%0.22539%0.391CS..Hα-helixtrans-63.6-46.5175.2178.962.3000111.5C70 I73 I324 T325 L331 L332C70-L328 HydrophobicContact CB-CD2 3.86Å; I73-L328 HydrophobicContact CB-CD2 4.38Å; I73-L328 HydrophobicContact CG2-CD2 4.2Å; I73-L328 HydrophobicContact CG2-CG 4.13Å; I324-L328 WeakPolarHBondContact O-CB 3.49Å; I324-L328 PolarHBondContact O-N 3.12Å; T325-L328 PolarHBondContact O-N 3.12Å; L328-L331 PolarHBondContact O-N 2.86Å; L328-L332 HydrophobicContact CD1-CD1 3.84Å; L328-L332 HydrophobicContact CD1-CG 4.21Å; L328-L332 HydrophobicContact CG-CD1 3.94Å; L328-L332 WeakPolarHBondContact O-CB 3.22Å; L328-L332 WeakPolarHBondContact O-CG 3.38Å; L328-L332 PolarHBondContact O-N 2.95Å
329A74.9Confident72.4Confident40 Ų4076 Ų7633%0.33140%0.4SS..Hα-helixtrans-61.9-4317800000112.1I73 T325 L326 L332 A333I73-A329 HydrophobicContact CG2-CB 4.47Å; T325-A329 WeakPolarHBondContact O-CB 3.35Å; T325-A329 PolarHBondContact O-N 3.07Å; L326-A329 PolarHBondContact O-N 3.11Å; A329-L332 PolarHBondContact O-N 3.15Å; A329-A333 VanDerWaalsContact O-CB 3.3Å; A329-A333 WeakPolarHBondContact O-CB 3.48Å; A329-A333 PolarHBondContact O-N 3.47Å
330L77.4Confident72.7Confident115 Ų11572.5 Ų72.560%0.60238%0.381SS*.Hα-helixtrans-65.6-43.8177.5-173.467.1000111.8L326 A333 V334L326-L330 VanDerWaalsContact O-CB 3.3Å; L326-L330 WeakPolarHBondContact O-CB 3.3Å; L326-L330 PolarHBondContact O-N 3.22Å; L330-A333 PolarHBondContact O-N 3.26Å; L330-V334 WeakPolarHBondContact O-CB 3.47Å; L330-V334 WeakPolarHBondContact O-CG2 3.37Å; L330-V334 PolarHBondContact O-N 2.75Å
331L82.8Confident72.2Confident112 Ų11269.3 Ų69.359%0.58636%0.363SS*.Hα-helixtrans-62.5-44.1177.6-172.6156.6000111.4S327 L328 V334 K335S327-L331 VanDerWaalsContact O-CB 3.29Å; S327-L331 WeakPolarHBondContact O-CB 3.34Å; S327-L331 PolarHBondContact O-N 2.94Å; L328-L331 PolarHBondContact O-N 2.86Å; L331-V334 PolarHBondContact O-N 2.83Å; L331-K335 WeakPolarHBondContact O-CB 3.47Å; L331-K335 PolarHBondContact O-N 3.48Å
332L81.5Confident71.5Confident17 Ų1771.1 Ų71.19%0.08938%0.383CS..Hα-helixtrans-67.9-37.4176.6-69.5169.3000112.2I73 L74 Y77 L328 A329 K335 Y336I73-L332 HydrophobicContact CG2-CD1 3.73Å; L74-L332 HydrophobicContact CD2-CD1 3.97Å; L74-L332 HydrophobicContact CD2-CD2 4.46Å; Y77-L332 HydrophobicContact CD1-CD2 3.94Å; Y77-L332 HydrophobicContact CD2-CB 4.22Å; Y77-L332 HydrophobicContact CD2-CD2 4.28Å; Y77-L332 HydrophobicContact CE1-CD2 4.11Å; Y77-L332 HydrophobicContact CE2-CD2 4.46Å; Y77-L332 HydrophobicContact CG-CB 4.46Å; Y77-L332 HydrophobicContact CG-CD1 4.49Å; Y77-L332 HydrophobicContact CG-CD2 4.03Å; L328-L332 HydrophobicContact CD1-CD1 3.84Å; L328-L332 HydrophobicContact CD1-CG 4.21Å; L328-L332 HydrophobicContact CG-CD1 3.94Å; L328-L332 WeakPolarHBondContact O-CB 3.22Å; L328-L332 WeakPolarHBondContact O-CG 3.38Å; L328-L332 PolarHBondContact O-N 2.95Å; A329-L332 PolarHBondContact O-N 3.15Å; L332-K335 PolarHBondContact O-N 2.97Å; L332-Y336 VanDerWaalsContact O-CB 3.25Å; L332-Y336 WeakPolarHBondContact O-CB 3.44Å; L332-Y336 PolarHBondContact O-N 2.91Å
333A72.6Confident71.2Confident44 Ų4471.6 Ų71.636%0.36439%0.385SS..Hα-helixtrans-63.6-43.8173.500000112A329 L330 Y336 I337A329-A333 VanDerWaalsContact O-CB 3.3Å; A329-A333 WeakPolarHBondContact O-CB 3.48Å; A329-A333 PolarHBondContact O-N 3.47Å; L330-A333 PolarHBondContact O-N 3.26Å; A333-Y336 PolarHBondContact O-N 2.82Å; A333-I337 WeakPolarHBondContact O-CB 3.34Å; A333-I337 VanDerWaalsContact O-CG1 3.27Å; A333-I337 WeakPolarHBondContact O-CG1 3.43Å; A333-I337 PolarHBondContact O-N 2.74Å
334V78.6Confident70.3Confident63 Ų6371 Ų7138%0.38238%0.381SS..Hα-helixtrans-63.2-44174.4169.10000111.1L330 L331 I337 F338 F339L330-V334 WeakPolarHBondContact O-CB 3.47Å; L330-V334 WeakPolarHBondContact O-CG2 3.37Å; L330-V334 PolarHBondContact O-N 2.75Å; L331-V334 PolarHBondContact O-N 2.83Å; V334-I337 PolarHBondContact O-N 3.09Å; V334-F338 HydrophobicContact CG1-CD2 4.11Å; V334-F338 WeakPolarHBondContact O-CD2 3.46Å; V334-F338 PolarHBondContact O-N 3.49Å; V334-F339 HydrophobicContact CG1-CE2 4.46Å
335K79.2Confident69.3Low71 Ų7172.3 Ų72.331%0.30939%0.386SS..Iπ-helixtrans-58.8-50175.3-170.7-168.4174-1400111.3Y77 L331 L332 F339 E340Y77-K335 WeakPolarHBondContact OH-CD 3.36Å; Y77-K335 PolarHBondContact OH-NZ 3.08Å; L331-K335 WeakPolarHBondContact O-CB 3.47Å; L331-K335 PolarHBondContact O-N 3.48Å; L332-K335 PolarHBondContact O-N 2.97Å; K335-F339 HydrophobicContact CG-CB 4.39Å; K335-F339 PolarHBondContact O-N 3.04Å; K335-E340 PolarHBondContact O-N 3.3Å
336Y73.8Confident68.1Low51 Ų5174.1 Ų74.120%0.240%0.399CS..Iπ-helixtrans-60.6-46.7-179.5-175-103.6000112Y77 F80 R84 L332 A333Y77-Y336 HydrophobicContact CE2-CD2 4.09Å; F80-Y336 HydrophobicContact CB-CE2 4.14Å; R84-Y336 HydrophobicContact CB-CE2 4.45Å; R84-Y336 PolarHBondContact NH1-O 2.89Å; R84-Y336 PolarHBondContact NH2-O 3.32Å; L332-Y336 VanDerWaalsContact O-CB 3.25Å; L332-Y336 WeakPolarHBondContact O-CB 3.44Å; L332-Y336 PolarHBondContact O-N 2.91Å; A333-Y336 PolarHBondContact O-N 2.82Å
337I70.7Confident67.1Low83 Ų8373.1 Ų73.143%0.42640%0.398SS..Iπ-helixtrans-70.2-50.3-177.2-67.7167.7000111.1A333 V334A333-I337 WeakPolarHBondContact O-CB 3.34Å; A333-I337 VanDerWaalsContact O-CG1 3.27Å; A333-I337 WeakPolarHBondContact O-CG1 3.43Å; A333-I337 PolarHBondContact O-N 2.74Å; V334-I337 PolarHBondContact O-N 3.09Å
338F69Low65.7Low143 Ų14375.7 Ų75.763%0.62741%0.405SS*.Iπ-helixtrans-98.6-47.2-165.6-65.5-80.3000114.8V334V334-F338 HydrophobicContact CG1-CD2 4.11Å; V334-F338 WeakPolarHBondContact O-CD2 3.46Å; V334-F338 PolarHBondContact O-N 3.49Å
339F61.5Low63.6Low134 Ų13478.2 Ų78.259%0.58843%0.427SS*.Iπ-helixtrans-85.8-40.7-170.3-71.4-92000112.3V334 K335 Q341 A342 E343V334-F339 HydrophobicContact CG1-CE2 4.46Å; K335-F339 HydrophobicContact CG-CB 4.39Å; K335-F339 PolarHBondContact O-N 3.04Å; F339-Q341 PolarHBondContact O-N 3.37Å; F339-A342 WeakPolarHBondContact O-CB 3.19Å; F339-A342 PolarHBondContact O-N 3.38Å; F339-E343 PolarHBondContact O-N 3.35Å
340E65.4Low62Low16 Ų1683.1 Ų83.18%0.07545%0.447CS..Hα-helixtrans-72.4-15.4-171.4-170.4153.8-164.800113.7Y77 Q81 K335 T344Y77-E340 WeakPolarHBondContact CE2-OE2 3.31Å; Y77-E340 PolarHBondContact OH-OE2 2.93Å; Q81-E340 WeakPolarHBondContact CG-OE1 3.41Å; Q81-E340 PolarHBondContact NE2-OE1 3.19Å; K335-E340 PolarHBondContact O-N 3.3Å; E340-T344 WeakPolarHBondContact O-CG2 3.37Å; E340-T344 PolarHBondContact O-N 2.82Å; E340-T344 PolarHBondContact O-OG1 3.46Å
341Q53Low60.1Low57 Ų5785.7 Ų85.727%0.26645%0.453SS..Hα-helixtrans-71-35.5167.9-169.1172.7-3600112.1F339 T344 E345F339-Q341 PolarHBondContact O-N 3.37Å; Q341-T344 PolarHBondContact O-OG1 2.91Å; Q341-E345 WeakPolarHBondContact CG-OE1 3.14Å; Q341-E345 PolarHBondContact NE2-OE1 3.17Å; Q341-E345 WeakPolarHBondContact O-CB 3.46Å; Q341-E345 WeakPolarHBondContact O-CG 3.5Å; Q341-E345 PolarHBondContact O-N 2.98Å; Q341-E345 VanDerWaalsContact O-N 3.12Å
342A53.5Low57.8Low64 Ų6487.3 Ų87.353%0.52946%0.462SS..Hα-helixtrans-71.9-38.6177.200000111.8F339 S346F339-A342 WeakPolarHBondContact O-CB 3.19Å; F339-A342 PolarHBondContact O-N 3.38Å; A342-S346 WeakPolarHBondContact O-CB 3.48Å; A342-S346 PolarHBondContact O-N 3.01Å
343E55.4Low55.3Low107 Ų10791.4 Ų91.450%0.549%0.49SS..Hα-helixtrans-65.6-37.7176.7-65.1-176.213600112.2F339 T347F339-E343 PolarHBondContact O-N 3.35Å; E343-T347 WeakPolarHBondContact O-CB 3.46Å; E343-T347 WeakPolarHBondContact O-CG2 3.32Å; E343-T347 PolarHBondContact O-N 2.86Å; E343-T347 PolarHBondContact O-OG1 2.87Å
344T53.8Low53.3Low52 Ų5297.3 Ų97.332%0.31951%0.513SS..Hα-helixtrans-74.7-39.1178.344.80000113.2E340 Q341 T347 L348E340-T344 WeakPolarHBondContact O-CG2 3.37Å; E340-T344 PolarHBondContact O-N 2.82Å; E340-T344 PolarHBondContact O-OG1 3.46Å; Q341-T344 PolarHBondContact O-OG1 2.91Å; T344-T347 PolarHBondContact O-OG1 3.07Å; T344-L348 WeakPolarHBondContact O-CG 3.39Å; T344-L348 PolarHBondContact O-N 3.16Å
345E53.9Low50.9Low110 Ų110101.1 Ų101.151%0.51454%0.537SS..Hα-helixtrans-68.5-34.7173.1-69.4175.5-16900111.3K89 Q341 S349K89-E345 IonicContact NZ-OE1 3.18Å; Q341-E345 WeakPolarHBondContact CG-OE1 3.14Å; Q341-E345 PolarHBondContact NE2-OE1 3.17Å; Q341-E345 WeakPolarHBondContact O-CB 3.46Å; Q341-E345 WeakPolarHBondContact O-CG 3.5Å; Q341-E345 PolarHBondContact O-N 2.98Å; Q341-E345 VanDerWaalsContact O-N 3.12Å; E345-S349 PolarHBondContact O-N 2.75Å
346S44.4Very low48.5Very low61 Ų61102.3 Ų102.343%0.42755%0.554SS.*Hα-helixtrans-65.8-49173.7179.30000113.3A342 L348 S349 L350A342-S346 WeakPolarHBondContact O-CB 3.48Å; A342-S346 PolarHBondContact O-N 3.01Å; S346-L348 VanDerWaalsContact C-N 3.32Å; S346-L348 PolarHBondContact O-N 3Å; S346-S349 WeakPolarHBondContact O-CB 3.48Å; S346-S349 PolarHBondContact O-N 3.16Å; S346-S349 VanDerWaalsContact O-N 3.15Å; S346-L350 PolarHBondContact O-N 3.46Å
347T49.7Very low46.5Very low83 Ų83105.6 Ų105.651%0.50958%0.582SS.*Hα-helixtrans-70.3-25.4-177.3470000113.6E343 T344E343-T347 WeakPolarHBondContact O-CB 3.46Å; E343-T347 WeakPolarHBondContact O-CG2 3.32Å; E343-T347 PolarHBondContact O-N 2.86Å; E343-T347 PolarHBondContact O-OG1 2.87Å; T344-T347 PolarHBondContact O-OG1 3.07Å
348L47.3Very low44.4Very low123 Ų123108.2 Ų108.264%0.64460%0.602SS**Hα-helixtrans-71.4-39.8168.5-77.6167.4000112.1T344 S346 L350 K351T344-L348 WeakPolarHBondContact O-CG 3.39Å; T344-L348 PolarHBondContact O-N 3.16Å; S346-L348 VanDerWaalsContact C-N 3.32Å; S346-L348 PolarHBondContact O-N 3Å; L348-L350 PolarHBondContact O-N 3.49Å; L348-K351 PolarHBondContact O-N 3.18Å
349S36.6Very low42.4Very low96 Ų96107.9 Ų107.967%0.67161%0.611SS**Hα-helixtrans-61.3-43.1175.1-169.70000112E345 S346 K351E345-S349 PolarHBondContact O-N 2.75Å; S346-S349 WeakPolarHBondContact O-CB 3.48Å; S346-S349 PolarHBondContact O-N 3.16Å; S346-S349 VanDerWaalsContact O-N 3.15Å; S349-K351 PolarHBondContact O-N 2.85Å
350L42.3Very low40.7Very low144 Ų144107.7 Ų107.775%0.75462%0.621SS**THydrogen-bonded Turntrans-69.8-9.8178.8-106.4144.7000115.1S346 L348S346-L350 PolarHBondContact O-N 3.46Å; L348-L350 PolarHBondContact O-N 3.49Å
351K38Very low38.7Very low169 Ų169115.8 Ų115.874%0.73566%0.659SS**THydrogen-bonded Turntrans-96.72.2-177.3-96.7-172.7173.3-175.90115.6L348 S349 P353L348-K351 PolarHBondContact O-N 3.18Å; S349-K351 PolarHBondContact O-N 2.85Å; K351-P353 WeakPolarHBondContact O-CD 3.46Å
352N32.5Very low37.3Very low146 Ų146123.2 Ų123.278%0.78169%0.69SS**  trans-11078-179.5-78.4-14000114.2
353P30.1Very low35.7Very low103 Ų103129.7 Ų129.767%0.66971%0.706SS**  trans-82.7160.915235.7-30.6000110.9K351K351-P353 WeakPolarHBondContact O-CD 3.46Å
354I30.1Very low34Very low167 Ų167131 Ų13186%0.85672%0.721SS**  trans72.775.8176.5-41175.1000115.2
355T28.1Very low32.9Very low144 Ų144133.2 Ų133.288%0.88374%0.736SS**  trans-127.5121133.5-40.20000107.8
356S29.4Very low31.4Very low96 Ų96134.2 Ų134.267%0.67175%0.746SS**PPolyproline II helixtrans-68.9153.6-179.646.80000112.3
357P32.5Very low30.4Very low120 Ų120138 Ų13878%0.77976%0.761SS**PPolyproline II helixtrans-64.1141.5-172.625.8-35.4000113.2V359P357-V359 PolarHBondContact O-N 3.46Å
358V26.5Very low29.2Very low138 Ų138139 Ų13984%0.83677%0.77SS**PPolyproline II helixtrans-72.5118.2177.6176.50000110.2
359V26.3Very low28.2Very low135 Ų135138.6 Ų138.682%0.81878%0.776SS**PPolyproline II helixtrans-90.5123.6168.1176.80000109.4P357P357-V359 PolarHBondContact O-N 3.46Å
360T25Very low27.6Very low130 Ų130144.9 Ų144.980%0.79879%0.785SS**PPolyproline II helixtrans-72.7143.7-178.7-28.40000112
361Q23.8Very low26.6Very low187 Ų187149.3 Ų149.387%0.87479%0.792SS**PPolyproline II helixtrans-61.8141.8-176.6-65.6177.8-1800114.4
362K23.4Very low25.9Very low212 Ų212149.8 Ų149.892%0.92280%0.797SS**  trans-145.7168.7149.1-117.1176.8-175.6178.50111
363K20.8Very low25.9Very low201 Ų201148.4 Ų148.487%0.87480%0.796SS**  trans-87.8153.9-156.6-64179.2177.6-179.40115.1
364V19.9Very low25.5Very low134 Ų134150 Ų15081%0.81280%0.804SS**  trans-26.3152.5146.3-115.50000113.6
365P30.4Very low25.3Very low98 Ų98149.6 Ų149.664%0.63680%0.802SS**  cis-148.3-17337.845.3-25.3000119.8
366D23.3Very low25.1Very low132 Ų132150 Ų15071%0.70680%0.804SS**  trans81.6121.3149-66.6-21.9000123.6
367N23.4Very low24.8Very low141 Ų141155 Ų15575%0.75481%0.808SS**  trans63.4151.1141.1-67.4-48000119.8
368C24.2Very low24.3Very low102 Ų102155.9 Ų155.969%0.68981%0.806SS**  cis-150.2167.20.3-140.30000112.9
369C25.3Very low24.2Very low115 Ų115154.3 Ų154.378%0.77779%0.793SS**  trans29.5129.3159.1-66.80000124
370R23.4Very low24.1Very low229 Ų229155.6 Ų155.686%0.86479%0.79SS**  trans-14.7151.5131.8-68.9171.5169.7166.6-4.7115.2
371R23.1Very low23.9Very low236 Ų236158.2 Ų158.289%0.89179%0.791SS**  cis-164.316848.2-148.7170.5-166.71660.8113.8
372E23Very low23.8Very low179 Ų179154.6 Ų154.684%0.83678%0.784SS**  trans-78.4175.8179.9-101-175.615500115
373P32.6Very low23.7Very low117 Ų117151 Ų15176%0.7678%0.776SS**  trans-94.1175.7-148.638.7-39.9000116
374V21.7Very low23.9Very low138 Ų138146.1 Ų146.184%0.83677%0.766SS**  trans-134.6146.2169.4-174.90000110
375L25.2Very low24.1Very low157 Ų157146.3 Ų146.382%0.82276%0.762SS**  trans-72.7172.9176.9-49.597.3000112.5
376V22.9Very low23.7Very low152 Ų152148.9 Ų148.992%0.92177%0.765SS**  -159.2163.8123.1130.90000111.9
377R23.2Very low23.7Very low202 Ų202150.8 Ų150.876%0.76277%0.77SS**  trans-130151.3-162.5162.4-160.4-171.9177.76.2109.3
378N23.4Very low23.7Very low139 Ų139151.4 Ų151.474%0.74377%0.768SS**  trans-179.3136.2148.8-93-17.8000110.1
379N22.8Very low23.7Very low105 Ų105152.5 Ų152.556%0.56177%0.772SS**  82.1139.959.2-77.219.8000112.3
380Q24.9Very low23.6Very low162 Ų162150.4 Ų150.476%0.75777%0.77SS**  cis-170.1-179.71.8-128.1174.7-26.500112.8
381K22.2Very low23.6Very low185 Ų185147.4 Ų147.480%0.80477%0.769SS**  trans76.6135.2167.8-58.5-172.1177.1-170.40117.6
382C20.5Very low23.6Very low110 Ų110143.4 Ų143.474%0.74377%0.765SS**  cis97.6151.44.4-148.20000118.3
383D22.4Very low23.6Very low138 Ų138146 Ų14674%0.73877%0.768SS**  trans80.5141.2173.8-46-30.3000115.1
384S23.2Very low23.3Very low97 Ų97148.5 Ų148.568%0.67877%0.769SS**  cis-161146.76.770.10000112
385I24.1Very low23.4Very low139 Ų139154 Ų15471%0.71378%0.775SS**  72.2132.8101.4-67.7178.9000115.3
386E23.5Very low23.3Very low151 Ų151155.3 Ų155.371%0.70677%0.774SS**  cis-160.4163.80.5-132.8141.8-125.600113.7
387E23.4Very low23.5Very low172 Ų172154.1 Ų154.180%0.80477%0.767SS**  trans24.1173.5147.3-68-171.715200125.4
388E23.1Very low23.6Very low154 Ų154153 Ų15372%0.7277%0.77SS**  cis-158.8155.920.5-150-159.416600115.9
389T23.2Very low23.7Very low125 Ų125151.7 Ų151.777%0.76777%0.767SS**  trans62.1159.4164.973.20000119.4
390G23.3Very low23.8Very low72 Ų72155 Ų15574%0.74278%0.783SS**  cis160.6167.52.400000110.3
391I24Very low23.9Very low165 Ų165156 Ų15685%0.84679%0.785SS**  cis-150.4161.3-7.8-80.6172.8000108.2
392N23.1Very low24.5Very low152 Ų152152.7 Ų152.781%0.81378%0.782SS**  trans-60.1154.6-176.3-63.8-61.7000119.2
393R24Very low24.6Very low235 Ų235155.1 Ų155.189%0.88779%0.787SS**  -161.7161.8116.2-117.7175.9176.9159.73.2116
394E24.7Very low24.8Very low168 Ų168154.6 Ų154.679%0.78579%0.789SS**  trans-85.7163.1-163.6-47.7140100.100115.2
395R24.3Very low24.8Very low253 Ų253153.5 Ų153.596%0.95579%0.785SS**  trans-150158.4130.2-115.4171.7-165.9-164.52.6113.3
396K23.7Very low24.8Very low185 Ų185155.2 Ų155.280%0.80479%0.79SS**  trans-80.1153.8-159.2-67.5176.3174.1-179.80114.8
397V27.1Very low24.8Very low128 Ų128153.9 Ų153.978%0.77679%0.792SS**  trans-71.9140.3151.4175.10000109.1V399V397-V399 HydrophobicContact CG1-CG2 4.33Å
398E25.2Very low24.8Very low177 Ų177153.1 Ų153.183%0.82779%0.794SS**  trans-131.3151.9160.6-115.8167.8-143.800110.7
399V24.5Very low24.9Very low113 Ų113151.7 Ų151.769%0.68580%0.796SS**  trans-121.1133-166.9173.70000109.3V397 K401V397-V399 HydrophobicContact CG1-CG2 4.33Å; V399-K401 HydrophobicContact CG1-CG 4.43Å
400I26.4Very low25.6Very low173 Ų173151.1 Ų151.189%0.88779%0.794SS**  trans-112.5122.7166-59.4-177.8000108.5
401K25.2Very low25.6Very low183 Ų183156 Ų15680%0.79680%0.803SS**  trans-95.6158176.6-88.8-175.8173.5-179.10111.2V399V399-K401 HydrophobicContact CG1-CG 4.43Å
402P35.1Very low26Very low116 Ų116157.5 Ų157.575%0.75380%0.804SS**  trans-85.1156.4174.535.4-35.7000113.6
403L23.3Very low26.1Very low161 Ų161155.2 Ų155.284%0.84381%0.806SS**  trans-139.2129.6161.2-80.6149.5000104.7
404V25.6Very low26.3Very low128 Ų128149.7 Ų149.778%0.77680%0.799SS**  cis68.112343.9-174.30000109.9
405A24.1Very low26.3Very low73 Ų73151.3 Ų151.360%0.60380%0.803SS**  cis-138.5-167.820.800000111.7
406E23.3Very low26.5Very low176 Ų176145 Ų14582%0.82279%0.793SS**  cis-153.3-175.72.8-149.2135-119.400112.7
407T25.4Very low26.9Very low122 Ų122142.2 Ų142.275%0.74879%0.791SS**  trans-42.4142.3-177.149.40000119
408D23.3Very low26.8Very low156 Ų156139.3 Ų139.383%0.83479%0.787SS**  -160.7163.9109.1-130-19.1000115
409T25.1Very low27Very low124 Ų124138.4 Ų138.476%0.76179%0.788SS**  trans-153168177.561.40000112
410P36.2Very low27.2Very low114 Ų114138.6 Ų138.674%0.7479%0.794SS**  cis-123.9136.2-35.132.5-17.8000111.2
411N25Very low27.2Very low174 Ų174135.6 Ų135.693%0.9379%0.788SS**  trans-118145.5174.2-100.6-47.2000113.3A413N411-A413 PolarHBondContact O-N 3.33Å
412K31.7Very low27.5Very low196 Ų196134.7 Ų134.785%0.85279%0.792SS**  trans-65.8128.6-173.7-65.5173.4179.8172.30110.8T414K412-T414 PolarHBondContact O-N 2.69Å; K412-T414 VanDerWaalsContact O-N 3.09Å
413A25.9Very low27.1Very low105 Ų105137.1 Ų137.187%0.86880%0.797SS**  trans-72.499168.100000110N411N411-A413 PolarHBondContact O-N 3.33Å
414T27Very low27.5Very low118 Ų118137 Ų13772%0.72480%0.798SS**  trans-68.2132.9171.4-55.90000109.8K412 V416K412-T414 PolarHBondContact O-N 2.69Å; K412-T414 VanDerWaalsContact O-N 3.09Å; T414-V416 PolarHBondContact O-N 2.85Å
415F25.6Very low27.6Very low202 Ų202137.4 Ų137.489%0.88680%0.801SS**  trans-70.6120.1175.3-134.9-97.5000109.5
416V28.6Very low27.8Very low122 Ų122139.3 Ų139.374%0.73981%0.809SS**  trans-118.2119177.3179.20000108.9T414 G418T414-V416 PolarHBondContact O-N 2.85Å; V416-G418 PolarHBondContact O-N 2.96Å
417V31.2Very low28.2Very low125 Ų125137.2 Ų137.276%0.75881%0.814SS**  trans-76.7119.1169.6178.30000107.8N419V417-N419 PolarHBondContact O-N 3.23Å
418G25.3Very low28.5Very low67 Ų67137 Ų13769%0.69181%0.813SS**  trans-77.5106.8-177.300000112.5V416 S420V416-G418 PolarHBondContact O-N 2.96Å; G418-S420 PolarHBondContact O-N 3.41Å
419N29.2Very low28.9Very low159 Ų159137.8 Ų137.885%0.8582%0.816SS**  trans-66.7117.4161.1-863.5000109.2V417 S421V417-N419 PolarHBondContact O-N 3.23Å; N419-S421 PolarHBondContact O-N 3.34Å
420S28.5Very low29.1Very low116 Ų116137.9 Ų137.981%0.81182%0.816SS**  trans-83101.9166.740.10000109.1G418 L422G418-S420 PolarHBondContact O-N 3.41Å; S420-L422 PolarHBondContact O-N 2.75Å
421S27.4Very low28.8Very low110 Ų110138.7 Ų138.777%0.76982%0.819SS**  trans-63.4121.5170.5540000109.9N419N419-S421 PolarHBondContact O-N 3.34Å
422L29.8Very low29.2Very low165 Ų165139.1 Ų139.186%0.86482%0.815SS**  trans-61.2141.7173.2-68164000110.9S420S420-L422 PolarHBondContact O-N 2.75Å
423L28.4Very low29.4Very low167 Ų167136.6 Ų136.687%0.87481%0.806SS**  trans-109.6126.4161.6-86.2167000107.7T425L423-T425 PolarHBondContact O-N 2.79Å
424D30.2Very low30.2Very low159 Ų159136.8 Ų136.885%0.8580%0.799SS**  trans-65.5123.9-174.6-75.9-61.1000112.8
425T28Very low31.2Very low136 Ų136140.5 Ų140.583%0.83481%0.808SS**  trans-161.784.2149.6-5.60000112.4L423L423-T425 PolarHBondContact O-N 2.79Å
426S28.3Very low33.1Very low113 Ų113133.3 Ų133.379%0.7978%0.778SS**  trans-175.5107.5146.5-850000111.4V428S426-V428 PolarHBondContact O-N 2.88Å; S426-V428 VanDerWaalsContact O-N 3.14Å
427S32.4Very low34.5Very low132 Ų132136.6 Ų136.692%0.92379%0.786SS**  trans-74.697.4169.954.50000110.4
428V31.4Very low36.6Very low118 Ų118134.3 Ų134.372%0.71577%0.769SS**  trans-109.2128.3169.6-178.10000108.8S426 V430S426-V428 PolarHBondContact O-N 2.88Å; S426-V428 VanDerWaalsContact O-N 3.14Å; V428-V430 PolarHBondContact O-N 2.97Å; V428-V430 VanDerWaalsContact O-N 3.09Å
429L30.9Very low38.7Very low172 Ų172133.8 Ų133.890%0.90175%0.753SS**  trans-69.5102.7179.1-76.4157.2000110.1T431L429-T431 PolarHBondContact O-N 2.94Å
430V29.8Very low40.4Very low126 Ų126130.4 Ų130.476%0.76476%0.755SS**  trans-7899.2169.7-179.40000108.6V428 Q432V428-V430 PolarHBondContact O-N 2.97Å; V428-V430 VanDerWaalsContact O-N 3.09Å; V430-Q432 PolarHBondContact O-N 3.2Å
431T29.6Very low42.9Very low131 Ų131132.7 Ų132.780%0.80475%0.753SS**  trans-61.3115.1156.728.20000108.4L429 E433L429-T431 PolarHBondContact O-N 2.94Å; T431-E433 PolarHBondContact O-N 2.97Å
432Q34.1Very low45.8Very low182 Ų182130.8 Ų130.885%0.8574%0.739SS**PPolyproline II helixtrans-67116.7171.6-68.4175.2-41.900108.9V430V430-Q432 PolarHBondContact O-N 3.2Å
433E36.5Very low48.7Very low143 Ų143125 Ų12567%0.66871%0.705SS**PPolyproline II helixtrans-68.1141.1157.3-69.8-165.5169.700108.5T431 K460T431-E433 PolarHBondContact O-N 2.97Å; E433-K460 IonicContact OE1-NZ 3.55Å; E433-K460 IonicContact OE2-NZ 3.95Å; E433-K460 PolarHBondContact OE2-NZ 3.12Å
434P42.9Very low51.8Low109 Ų109121 Ų12171%0.70869%0.689SS**PPolyproline II helixtrans-67136.3174.128.3-33.8000110.4I436P434-I436 PolarHBondContact O-N 3.45Å
435E47.6Very low54.7Low196 Ų196115.4 Ų115.492%0.91666%0.66SS**PPolyproline II helixtrans-62.6127.7169.4-69.6-173.712000109.6E437E435-E437 PolarHBondContact O-N 3.08Å
436I64.7Low57.6Low52 Ų52116.1 Ų116.127%0.26765%0.653SS.*  trans-86.6107.8179.3-63.8165.9000107.6P434 L438 K460 F461P434-I436 PolarHBondContact O-N 3.45Å; I436-L438 HydrophobicContact CG2-CD2 4.17Å; I436-L438 PolarHBondContact O-N 3.14Å; I436-L438 VanDerWaalsContact O-N 3.08Å; I436-K460 HydrophobicContact CD1-CD 3.79Å; I436-K460 HydrophobicContact CD1-CG 3.86Å; I436-F461 HydrophobicContact CD1-CD1 4.35Å; I436-F461 HydrophobicContact CD1-CD2 4.23Å; I436-F461 HydrophobicContact CD1-CE1 3.91Å; I436-F461 HydrophobicContact CD1-CE2 3.8Å; I436-F461 HydrophobicContact CD1-CZ 3.62Å; I436-F461 HydrophobicContact CG1-CE1 4.06Å; I436-F461 HydrophobicContact CG1-CZ 4.15Å; I436-F461 HydrophobicContact CG2-CD1 3.56Å; I436-F461 HydrophobicContact CG2-CE1 3.71Å; I436-F461 HydrophobicContact CG2-CG 4.27Å
437E59.2Low60.7Low191 Ų191114.7 Ų114.789%0.89363%0.634SS**  trans-62.8109.6170.3-67.3-171.8154.400109.8E435E435-E437 PolarHBondContact O-N 3.08Å
438L73.7Confident63.5Low77 Ų77108.4 Ų108.440%0.40359%0.59SS.*  trans-89.8140.6172.9-66.6175000109.9I436 F461I436-L438 HydrophobicContact CG2-CD2 4.17Å; I436-L438 PolarHBondContact O-N 3.14Å; I436-L438 VanDerWaalsContact O-N 3.08Å; L438-F461 VanDerWaalsContact CD2-C 3.5Å; L438-F461 WeakPolarHBondContact CD2-O 3.32Å
439P70Confident66.3Low56 Ų56105.7 Ų105.736%0.36457%0.571SS.*  trans-65.8145.4178.627.1-33.5000111.8E441 R443P439-E441 VanDerWaalsContact C-N 3.35Å; P439-E441 PolarHBondContact O-N 3.09Å; P439-R443 HydrophobicContact CG-CG 4.44Å; P439-R443 VanDerWaalsContact CG-CZ 3.49Å
440G65.8Low69.1Low87 Ų87104.3 Ų104.390%0.89756%0.56SS**SBendtrans-75.5-16.3-176.200000115.6
441E80.7Confident72Confident164 Ų16498.9 Ų98.977%0.76653%0.527SS*.SBendtrans-117.5145.9173.3-69.4-164.7168.600110.7P439 R443P439-E441 VanDerWaalsContact C-N 3.35Å; P439-E441 PolarHBondContact O-N 3.09Å; E441-R443 PolarHBondContact O-N 3.31Å
442P86.9Confident74.8Confident71 Ų7194.4 Ų94.446%0.46150%0.498SS..PPolyproline II helixtrans-72.4127.6-176.429.5-34.7000111.9E466P442-E466 HydrophobicContact CB-CG 3.76Å
443R91.9Very high77.2Confident42 Ų4289 Ų8916%0.15849%0.491CS..PPolyproline II helixtrans-69161.2178-72.5161.8-72.5-166.72.2112.8P439 E441 E447 I451 F461 E466 Q469P439-R443 HydrophobicContact CG-CG 4.44Å; P439-R443 VanDerWaalsContact CG-CZ 3.49Å; E441-R443 PolarHBondContact O-N 3.31Å; R443-E447 HydrophobicContact CB-CB 4.46Å; R443-E447 VanDerWaalsContact CD-CD 3.47Å; R443-E447 WeakPolarHBondContact CD-OE1 3.36Å; R443-E447 WeakPolarHBondContact CG-OE2 3.23Å; R443-I451 VanDerWaalsContact NH1-CD1 3.34Å; R443-F461 PolarHBondContact NH2-O 2.79Å; R443-E466 WeakPolarHBondContact CB-OE1 3.4Å; R443-E466 IonicContact CZ-OE1 2.85Å; R443-E466 IonicContact CZ-OE2 3.37Å; R443-E466 PolarHBondContact N-OE1 3.2Å; R443-E466 IonicContact NE-OE1 2.62Å; R443-E466 PolarHBondContact NE-OE1 3.32Å; R443-E466 IonicContact NE-OE2 2.7Å; R443-E466 IonicContact NH2-OE1 3.18Å; R443-E466 PolarHBondContact NH2-OE1 3.29Å; R443-E466 IonicContact NH2-OE2 2.69Å; R443-E466 PolarHBondContact NH2-OE2 3.09Å; R443-Q469 PolarHBondContact O-NE2 3.37Å
444P92.3Very high79.8Confident84 Ų8485.2 Ų85.255%0.54548%0.475SS..PPolyproline II helixtrans-58.4150.6173.4-23.334.5000112.8E446 E447 C448P444-E446 PolarHBondContact O-N 3.46Å; P444-E446 VanDerWaalsContact O-N 3.14Å; P444-E447 PolarHBondContact O-N 3.36Å; P444-C448 PolarHBondContact O-N 2.64Å; P444-C448 VanDerWaalsContact O-N 3.07Å; P444-C448 PolarHBondContact O-SG 3.15Å; P444-C448 VanDerWaalsContact O-SG 3.37Å
445N91.4Very high81.7Confident42 Ų4285.2 Ų85.223%0.22548%0.484CS..Hα-helixtrans-52.3-40.4-179.3-76.57.4000113.3C448 L449 Q469 L470 A473 H475N445-C448 PolarHBondContact O-N 3.33Å; N445-L449 WeakPolarHBondContact O-CB 3.48Å; N445-L449 VanDerWaalsContact O-CG 3.23Å; N445-L449 WeakPolarHBondContact O-CG 3.21Å; N445-L449 PolarHBondContact O-N 3.34Å; N445-Q469 WeakPolarHBondContact OD1-CG 3.33Å; N445-Q469 PolarHBondContact OD1-NE2 3.33Å; N445-L470 HydrophobicContact CB-CD2 4.02Å; N445-A473 VanDerWaalsContact ND2-CB 3.31Å; N445-A473 WeakPolarHBondContact ND2-CB 3.35Å; N445-H475 PolarHBondContact ND2-NE2 3.48Å
446E90.3Very high83.3Confident151 Ų15184.2 Ų84.271%0.70648%0.48SS*.Hα-helixtrans-65.8-41.6-176.6-62.2-177.4177.800112.2P444 L449 Q450P444-E446 PolarHBondContact O-N 3.46Å; P444-E446 VanDerWaalsContact O-N 3.14Å; E446-L449 PolarHBondContact O-N 2.9Å; E446-Q450 WeakPolarHBondContact O-CG 3.14Å; E446-Q450 PolarHBondContact O-N 3.14Å
447E91.9Very high84.3Confident83 Ų8386.2 Ų86.239%0.38849%0.486SS..Hα-helixtrans-67.1-44.4174.9-167.5-170.9160.400110.8R443 P444 L449 Q450 I451R443-E447 HydrophobicContact CB-CB 4.46Å; R443-E447 VanDerWaalsContact CD-CD 3.47Å; R443-E447 WeakPolarHBondContact CD-OE1 3.36Å; R443-E447 WeakPolarHBondContact CG-OE2 3.23Å; P444-E447 PolarHBondContact O-N 3.36Å; E447-L449 PolarHBondContact O-N 2.85Å; E447-Q450 PolarHBondContact O-N 3.33Å; E447-Q450 VanDerWaalsContact O-N 3.13Å; E447-I451 HydrophobicContact CG-CD1 4.13Å; E447-I451 WeakPolarHBondContact O-CG1 3.33Å; E447-I451 PolarHBondContact O-N 3.34Å
448C90.9Very high85.6Confident0 Ų078 Ų780%045%0.454CS..Hα-helixtrans-58.9-36.5176-66.20000112.3P444 N445 L452 L462 L470P444-C448 PolarHBondContact O-N 2.64Å; P444-C448 VanDerWaalsContact O-N 3.07Å; P444-C448 PolarHBondContact O-SG 3.15Å; P444-C448 VanDerWaalsContact O-SG 3.37Å; N445-C448 PolarHBondContact O-N 3.33Å; C448-L452 WeakPolarHBondContact O-CB 3.32Å; C448-L452 PolarHBondContact O-N 3.04Å; C448-L462 HydrophobicContact CB-CD2 4.02Å; C448-L470 HydrophobicContact CB-CD1 3.87Å; C448-L470 HydrophobicContact CB-CD2 4.12Å; C448-L470 HydrophobicContact CB-CG 4.14Å
449L90.5Very high86.3Confident60 Ų6074.7 Ų74.731%0.31444%0.437SS..Hα-helixtrans-71.7-37.6175.1-72.5168.5000112.9N445 E446 E447 I451 L452 G453 L470 H475N445-L449 WeakPolarHBondContact O-CB 3.48Å; N445-L449 VanDerWaalsContact O-CG 3.23Å; N445-L449 WeakPolarHBondContact O-CG 3.21Å; N445-L449 PolarHBondContact O-N 3.34Å; E446-L449 PolarHBondContact O-N 2.9Å; E447-L449 PolarHBondContact O-N 2.85Å; L449-I451 VanDerWaalsContact C-N 3.33Å; L449-L452 PolarHBondContact O-N 2.88Å; L449-G453 PolarHBondContact O-N 3.02Å; L449-L470 HydrophobicContact CD1-CD2 4.41Å; L449-L470 HydrophobicContact CD2-CD1 4.17Å; L449-L470 HydrophobicContact CD2-CD2 4.06Å; L449-L470 HydrophobicContact CG-CD1 4.48Å; L449-L470 HydrophobicContact CG-CD2 3.84Å; L449-H475 HydrophobicContact CD1-CB 4.43Å; L449-H475 HydrophobicContact CD2-CB 3.9Å
450Q90.3Very high87.3Confident143 Ų14375.8 Ų75.867%0.66844%0.436SS*.Hα-helixtrans-64.4-38.1173.3-70.8174.73200111.9E446 E447 N454E446-Q450 WeakPolarHBondContact O-CG 3.14Å; E446-Q450 PolarHBondContact O-N 3.14Å; E447-Q450 PolarHBondContact O-N 3.33Å; E447-Q450 VanDerWaalsContact O-N 3.13Å; Q450-N454 WeakPolarHBondContact O-CB 3.13Å; Q450-N454 PolarHBondContact O-N 3.14Å
451I90.1Very high88.4Confident12 Ų1274.8 Ų74.86%0.06241%0.407CS..Hα-helixtrans-67.3-47.5174.8-67162.7000110.7R443 E447 L449 G453 N454 K457 G458 F461 L462R443-I451 VanDerWaalsContact NH1-CD1 3.34Å; E447-I451 HydrophobicContact CG-CD1 4.13Å; E447-I451 WeakPolarHBondContact O-CG1 3.33Å; E447-I451 PolarHBondContact O-N 3.34Å; L449-I451 VanDerWaalsContact C-N 3.33Å; I451-G453 VanDerWaalsContact C-N 3.31Å; I451-G453 PolarHBondContact O-N 3.4Å; I451-N454 PolarHBondContact O-N 3.5Å; I451-K457 HydrophobicContact CG2-CB 4.13Å; I451-K457 HydrophobicContact CG2-CD 4.15Å; I451-G458 PolarHBondContact O-N 2.77Å; I451-F461 HydrophobicContact CG2-CB 3.83Å; I451-L462 HydrophobicContact CB-CD2 3.96Å; I451-L462 HydrophobicContact CD1-CD2 4.08Å; I451-L462 HydrophobicContact CG2-CD2 3.73Å; I451-L462 HydrophobicContact CG2-CG 4.02Å
452L88.6Confident88.8Confident37 Ų3767 Ų6719%0.19437%0.37CS..Hα-helixtrans-63.2-35.9179.1-17464.5000112.8C448 L449 N454 A459 L462 L470 I476C448-L452 WeakPolarHBondContact O-CB 3.32Å; C448-L452 PolarHBondContact O-N 3.04Å; L449-L452 PolarHBondContact O-N 2.88Å; L452-N454 VanDerWaalsContact C-N 3.33Å; L452-A459 HydrophobicContact CD1-CB 4.13Å; L452-L462 HydrophobicContact CB-CD1 4.15Å; L452-L462 HydrophobicContact CD1-CD1 4.4Å; L452-L470 HydrophobicContact CD2-CD1 4.23Å; L452-I476 HydrophobicContact CD2-CD1 3.7Å; L452-I476 HydrophobicContact CD2-CG1 4.01Å
453G86Confident89Confident68 Ų6864.7 Ų64.770%0.70136%0.356SS*.THydrogen-bonded Turntrans-79.1-10.1177.300000114.8L449 I451L449-G453 PolarHBondContact O-N 3.02Å; I451-G453 VanDerWaalsContact C-N 3.31Å; I451-G453 PolarHBondContact O-N 3.4Å
454N89.9Confident89Confident64 Ų6464.5 Ų64.534%0.34236%0.359SS..  trans-84.6118.6177.2-177-31.2000110.3Q450 I451 L452 E456 K457 G458Q450-N454 WeakPolarHBondContact O-CB 3.13Å; Q450-N454 PolarHBondContact O-N 3.14Å; I451-N454 PolarHBondContact O-N 3.5Å; L452-N454 VanDerWaalsContact C-N 3.33Å; N454-E456 PolarHBondContact O-N 3.26Å; N454-E456 PolarHBondContact OD1-N 3.08Å; N454-K457 HydrophobicContact CB-CB 4.29Å; N454-K457 HydrophobicContact CB-CG 4.44Å; N454-K457 PolarHBondContact O-N 2.62Å; N454-G458 PolarHBondContact O-N 3.3Å
455A82Confident88.9Confident109 Ų10963 Ų6390%0.90135%0.353SS*.THydrogen-bonded Turntrans-61.6-23.8-176.600000114.8
456E82.6Confident89Confident175 Ų17561 Ų6182%0.81834%0.343SS*.THydrogen-bonded Turntrans-89.1-6.3176.4-61.4-173.7161.700112.9N454N454-E456 PolarHBondContact O-N 3.26Å; N454-E456 PolarHBondContact OD1-N 3.08Å
457K84.8Confident89.1Confident94 Ų9453.9 Ų53.941%0.40931%0.309SS..THydrogen-bonded Turntrans-116.4-66.2179-62.6-171.6-178.5-174.60112.7I451 N454 F461I451-K457 HydrophobicContact CG2-CB 4.13Å; I451-K457 HydrophobicContact CG2-CD 4.15Å; N454-K457 HydrophobicContact CB-CB 4.29Å; N454-K457 HydrophobicContact CB-CG 4.44Å; N454-K457 PolarHBondContact O-N 2.62Å; K457-F461 VanDerWaalsContact CA-CD2 3.48Å; K457-F461 HydrophobicContact CB-CB 4.21Å; K457-F461 HydrophobicContact CB-CD2 3.68Å; K457-F461 HydrophobicContact CB-CE2 4.23Å; K457-F461 HydrophobicContact CB-CG 4.04Å; K457-F461 HydrophobicContact CD-CG 4.46Å; K457-F461 HydrophobicContact CG-CD2 4.06Å; K457-F461 HydrophobicContact CG-CE2 4.3Å; K457-F461 HydrophobicContact CG-CG 4.2Å; K457-F461 WeakPolarHBondContact O-CD2 3.1Å
458G87.6Confident89.1Confident20 Ų2050.2 Ų50.221%0.20629%0.292CS..G310 helixtrans54.4-151.9-172.100000113.6I451 N454 K460I451-G458 PolarHBondContact O-N 2.77Å; N454-G458 PolarHBondContact O-N 3.3Å; G458-K460 VanDerWaalsContact C-N 3.31Å; G458-K460 PolarHBondContact O-N 3.24Å
459A88.4Confident89.1Confident6 Ų653.3 Ų53.35%0.0531%0.307CS..G310 helixtrans-70.5-18.7-175.100000115.2L452 F461 L462 L484 M485 R490L452-A459 HydrophobicContact CD1-CB 4.13Å; A459-F461 PolarHBondContact O-N 3.15Å; A459-L462 PolarHBondContact O-N 3.07Å; A459-L462 VanDerWaalsContact O-N 3.1Å; A459-L484 VanDerWaalsContact CB-O 3.31Å; A459-L484 WeakPolarHBondContact CB-O 3.32Å; A459-M485 HydrophobicContact CB-CE 3.52Å; A459-M485 HydrophobicContact CB-SD 3.85Å; A459-R490 PolarHBondContact O-NH1 2.89Å
460K89.6Confident89.2Confident80 Ų8050.5 Ų50.535%0.34829%0.292SS..G310 helixtrans-61.7-25.2179.9-164-177-177.7-1780112.8E433 I436 G458 E486E433-K460 IonicContact OE1-NZ 3.55Å; E433-K460 IonicContact OE2-NZ 3.95Å; E433-K460 PolarHBondContact OE2-NZ 3.12Å; I436-K460 HydrophobicContact CD1-CD 3.79Å; I436-K460 HydrophobicContact CD1-CG 3.86Å; G458-K460 VanDerWaalsContact C-N 3.31Å; G458-K460 PolarHBondContact O-N 3.24Å; K460-E486 HydrophobicContact CB-CG 4.38Å; K460-E486 HydrophobicContact CG-CG 4.39Å
461F88.8Confident89.3Confident65 Ų6544.5 Ų44.529%0.28527%0.265SS..G310 helixtrans-98.78.6179.6-70.2-101000114.1I436 L438 R443 I451 K457 A459I436-F461 HydrophobicContact CD1-CD1 4.35Å; I436-F461 HydrophobicContact CD1-CD2 4.23Å; I436-F461 HydrophobicContact CD1-CE1 3.91Å; I436-F461 HydrophobicContact CD1-CE2 3.8Å; I436-F461 HydrophobicContact CD1-CZ 3.62Å; I436-F461 HydrophobicContact CG1-CE1 4.06Å; I436-F461 HydrophobicContact CG1-CZ 4.15Å; I436-F461 HydrophobicContact CG2-CD1 3.56Å; I436-F461 HydrophobicContact CG2-CE1 3.71Å; I436-F461 HydrophobicContact CG2-CG 4.27Å; L438-F461 VanDerWaalsContact CD2-C 3.5Å; L438-F461 WeakPolarHBondContact CD2-O 3.32Å; R443-F461 PolarHBondContact NH2-O 2.79Å; I451-F461 HydrophobicContact CG2-CB 3.83Å; K457-F461 VanDerWaalsContact CA-CD2 3.48Å; K457-F461 HydrophobicContact CB-CB 4.21Å; K457-F461 HydrophobicContact CB-CD2 3.68Å; K457-F461 HydrophobicContact CB-CE2 4.23Å; K457-F461 HydrophobicContact CB-CG 4.04Å; K457-F461 HydrophobicContact CD-CG 4.46Å; K457-F461 HydrophobicContact CG-CD2 4.06Å; K457-F461 HydrophobicContact CG-CE2 4.3Å; K457-F461 HydrophobicContact CG-CG 4.2Å; K457-F461 WeakPolarHBondContact O-CD2 3.1Å; A459-F461 PolarHBondContact O-N 3.15Å
462L90.1Very high89.4Confident0 Ų048.3 Ų48.30%029%0.286CS..SBendtrans-109.7146172.2-62.6-178.6000110.4C448 I451 L452 A459 I467 L470 R490C448-L462 HydrophobicContact CB-CD2 4.02Å; I451-L462 HydrophobicContact CB-CD2 3.96Å; I451-L462 HydrophobicContact CD1-CD2 4.08Å; I451-L462 HydrophobicContact CG2-CD2 3.73Å; I451-L462 HydrophobicContact CG2-CG 4.02Å; L452-L462 HydrophobicContact CB-CD1 4.15Å; L452-L462 HydrophobicContact CD1-CD1 4.4Å; A459-L462 PolarHBondContact O-N 3.07Å; A459-L462 VanDerWaalsContact O-N 3.1Å; L462-I467 HydrophobicContact CB-CD1 3.99Å; L462-I467 HydrophobicContact CB-CG1 3.83Å; L462-I467 HydrophobicContact CD1-CG1 4.12Å; L462-L470 HydrophobicContact CD1-CD1 4.23Å; L462-R490 PolarHBondContact O-NH2 3.01Å
463S91.6Very high89.6Confident23 Ų2348.6 Ų48.616%0.16129%0.293CS..  trans-77.8157.7169.465.50000111.8A465 E466 I467S463-A465 PolarHBondContact O-N 2.86Å; S463-E466 WeakPolarHBondContact CB-OE2 3.46Å; S463-E466 PolarHBondContact N-OE2 2.66Å; S463-E466 PolarHBondContact O-N 2.96Å; S463-E466 VanDerWaalsContact O-N 3.16Å; S463-E466 VanDerWaalsContact OG-CG 3.24Å; S463-E466 WeakPolarHBondContact OG-CG 3.25Å; S463-E466 PolarHBondContact OG-N 3.28Å; S463-E466 PolarHBondContact OG-OE2 2.65Å; S463-I467 WeakPolarHBondContact O-CD1 3.28Å; S463-I467 WeakPolarHBondContact O-CG1 3.25Å; S463-I467 PolarHBondContact O-N 2.82Å; S463-I467 VanDerWaalsContact O-N 3.1Å
464D92Very high89.8Confident39 Ų3954.3 Ų54.321%0.20930%0.299CS..Hα-helixtrans-57.6-33.8175-78.825.4000111.9I467 I468 R490 I494 Q497D464-I467 PolarHBondContact O-N 2.8Å; D464-I468 WeakPolarHBondContact O-CB 3.34Å; D464-I468 WeakPolarHBondContact O-CD1 3.43Å; D464-I468 WeakPolarHBondContact O-CG1 3.46Å; D464-I468 PolarHBondContact O-N 3.35Å; D464-R490 IonicContact OD1-CZ 3.16Å; D464-R490 VanDerWaalsContact OD1-CZ 3.27Å; D464-R490 IonicContact OD1-NE 3.93Å; D464-R490 PolarHBondContact OD1-NE 3.45Å; D464-R490 IonicContact OD1-NH2 3.98Å; D464-R490 PolarHBondContact OD1-NH2 3.08Å; D464-I494 HydrophobicContact CB-CG1 4.21Å; D464-Q497 PolarHBondContact OD2-NE2 2.99Å
465A90.3Very high89.8Confident53 Ų5355.8 Ų55.844%0.43830%0.303SS..Hα-helixtrans-63.6-44.2176.600000112.5S463 I468 Q469S463-A465 PolarHBondContact O-N 2.86Å; A465-I468 WeakPolarHBondContact O-CB 3.17Å; A465-I468 PolarHBondContact O-N 3.39Å; A465-Q469 WeakPolarHBondContact O-CB 3.39Å; A465-Q469 PolarHBondContact O-N 3.15Å
466E92.4Very high90.1Very high0 Ų050.8 Ų50.80%026%0.261CS..Hα-helixtrans-67.3-40.4177.9-69.9163.3144.400111.7P442 R443 S463 I468 Q469 L470P442-E466 HydrophobicContact CB-CG 3.76Å; R443-E466 WeakPolarHBondContact CB-OE1 3.4Å; R443-E466 IonicContact CZ-OE1 2.85Å; R443-E466 IonicContact CZ-OE2 3.37Å; R443-E466 PolarHBondContact N-OE1 3.2Å; R443-E466 IonicContact NE-OE1 2.62Å; R443-E466 PolarHBondContact NE-OE1 3.32Å; R443-E466 IonicContact NE-OE2 2.7Å; R443-E466 IonicContact NH2-OE1 3.18Å; R443-E466 PolarHBondContact NH2-OE1 3.29Å; R443-E466 IonicContact NH2-OE2 2.69Å; R443-E466 PolarHBondContact NH2-OE2 3.09Å; S463-E466 WeakPolarHBondContact CB-OE2 3.46Å; S463-E466 PolarHBondContact N-OE2 2.66Å; S463-E466 PolarHBondContact O-N 2.96Å; S463-E466 VanDerWaalsContact O-N 3.16Å; S463-E466 VanDerWaalsContact OG-CG 3.24Å; S463-E466 WeakPolarHBondContact OG-CG 3.25Å; S463-E466 PolarHBondContact OG-N 3.28Å; S463-E466 PolarHBondContact OG-OE2 2.65Å; E466-I468 VanDerWaalsContact C-N 3.34Å; E466-I468 PolarHBondContact O-N 2.84Å; E466-Q469 WeakPolarHBondContact O-CB 3.45Å; E466-Q469 PolarHBondContact O-N 3.28Å; E466-Q469 VanDerWaalsContact O-N 3.16Å; E466-L470 WeakPolarHBondContact O-CG 3.24Å; E466-L470 PolarHBondContact O-N 2.81Å
467I92.3Very high90.4Very high0 Ų044.8 Ų44.80%024%0.238CC..Hα-helixtrans-66.6-39.5176.7-60.5153000110.2L462 S463 D464 Q469 L470 V471 I476 L481 M485 I494L462-I467 HydrophobicContact CB-CD1 3.99Å; L462-I467 HydrophobicContact CB-CG1 3.83Å; L462-I467 HydrophobicContact CD1-CG1 4.12Å; S463-I467 WeakPolarHBondContact O-CD1 3.28Å; S463-I467 WeakPolarHBondContact O-CG1 3.25Å; S463-I467 PolarHBondContact O-N 2.82Å; S463-I467 VanDerWaalsContact O-N 3.1Å; D464-I467 PolarHBondContact O-N 2.8Å; I467-Q469 VanDerWaalsContact C-N 3.31Å; I467-Q469 PolarHBondContact O-N 3.45Å; I467-L470 PolarHBondContact O-N 3.23Å; I467-V471 WeakPolarHBondContact O-CG2 3.45Å; I467-V471 PolarHBondContact O-N 2.88Å; I467-I476 HydrophobicContact CG2-CD1 4.2Å; I467-L481 HydrophobicContact CG2-CD2 3.94Å; I467-M485 HydrophobicContact CD1-CE 4.22Å; I467-M485 HydrophobicContact CD1-SD 3.67Å; I467-M485 HydrophobicContact CG1-CE 4.41Å; I467-M485 HydrophobicContact CG1-SD 4.43Å; I467-M485 HydrophobicContact CG2-CE 3.85Å; I467-M485 HydrophobicContact CG2-SD 4.13Å; I467-I494 HydrophobicContact CB-CD1 4.14Å; I467-I494 HydrophobicContact CD1-CD1 3.74Å; I467-I494 HydrophobicContact CG2-CD1 3.95Å; I467-I494 HydrophobicContact CG2-CG2 4.09Å
468I91.9Very high90.4Very high6 Ų642.1 Ų42.13%0.03123%0.234CC..Hα-helixtrans-59.5-41.4171.1-74.8166.9000111.3D464 A465 E466 V471 N472 I494 Q497 L498D464-I468 WeakPolarHBondContact O-CB 3.34Å; D464-I468 WeakPolarHBondContact O-CD1 3.43Å; D464-I468 WeakPolarHBondContact O-CG1 3.46Å; D464-I468 PolarHBondContact O-N 3.35Å; A465-I468 WeakPolarHBondContact O-CB 3.17Å; A465-I468 PolarHBondContact O-N 3.39Å; E466-I468 VanDerWaalsContact C-N 3.34Å; E466-I468 PolarHBondContact O-N 2.84Å; I468-V471 PolarHBondContact O-N 3.33Å; I468-N472 WeakPolarHBondContact O-CB 3.29Å; I468-N472 VanDerWaalsContact O-CG 3.26Å; I468-N472 PolarHBondContact O-N 3.01Å; I468-N472 PolarHBondContact O-ND2 3.27Å; I468-I494 HydrophobicContact CG1-CG2 4.1Å; I468-Q497 HydrophobicContact CD1-CB 3.7Å; I468-L498 HydrophobicContact CB-CD2 4.26Å; I468-L498 HydrophobicContact CG1-CD2 4.09Å; I468-L498 HydrophobicContact CG1-CG 4.09Å; I468-L498 HydrophobicContact CG2-CD2 3.87Å
469Q92.3Very high90.1Very high66 Ų6648.1 Ų48.131%0.30825%0.251SS..Hα-helixtrans-62.9-46.8176.9-163.6176.7-7200111.4R443 N445 A465 E466 I467 V471 N472 A473R443-Q469 PolarHBondContact O-NE2 3.37Å; N445-Q469 WeakPolarHBondContact OD1-CG 3.33Å; N445-Q469 PolarHBondContact OD1-NE2 3.33Å; A465-Q469 WeakPolarHBondContact O-CB 3.39Å; A465-Q469 PolarHBondContact O-N 3.15Å; E466-Q469 WeakPolarHBondContact O-CB 3.45Å; E466-Q469 PolarHBondContact O-N 3.28Å; E466-Q469 VanDerWaalsContact O-N 3.16Å; I467-Q469 VanDerWaalsContact C-N 3.31Å; I467-Q469 PolarHBondContact O-N 3.45Å; Q469-V471 PolarHBondContact O-N 3.24Å; Q469-N472 PolarHBondContact O-N 3.31Å; Q469-A473 WeakPolarHBondContact O-CB 3.46Å; Q469-A473 PolarHBondContact O-N 3.2Å
470L92.5Very high90Very high0 Ų052.5 Ų52.50%027%0.269CS..Hα-helixtrans-64.2-35.4176.3-69.3-175.2000113.5N445 C448 L449 L452 L462 E466 I467 K474 H475 I476N445-L470 HydrophobicContact CB-CD2 4.02Å; C448-L470 HydrophobicContact CB-CD1 3.87Å; C448-L470 HydrophobicContact CB-CD2 4.12Å; C448-L470 HydrophobicContact CB-CG 4.14Å; L449-L470 HydrophobicContact CD1-CD2 4.41Å; L449-L470 HydrophobicContact CD2-CD1 4.17Å; L449-L470 HydrophobicContact CD2-CD2 4.06Å; L449-L470 HydrophobicContact CG-CD1 4.48Å; L449-L470 HydrophobicContact CG-CD2 3.84Å; L452-L470 HydrophobicContact CD2-CD1 4.23Å; L462-L470 HydrophobicContact CD1-CD1 4.23Å; E466-L470 WeakPolarHBondContact O-CG 3.24Å; E466-L470 PolarHBondContact O-N 2.81Å; I467-L470 PolarHBondContact O-N 3.23Å; L470-K474 PolarHBondContact O-N 3.38Å; L470-H475 HydrophobicContact CD2-CB 4.45Å; L470-H475 PolarHBondContact O-N 2.79Å; L470-I476 HydrophobicContact CB-CD1 3.68Å; L470-I476 HydrophobicContact CB-CG1 3.99Å; L470-I476 HydrophobicContact CD1-CD1 3.88Å; L470-I476 HydrophobicContact CG-CD1 4.46Å; L470-I476 PolarHBondContact O-N 3Å
471V92.5Very high89.8Confident17 Ų1748.7 Ų48.710%0.10325%0.252CS..Hα-helixtrans-69.3-44.1174.2173.80000111.2I467 I468 Q469 A473 K474 I476 A478 L481 L498I467-V471 WeakPolarHBondContact O-CG2 3.45Å; I467-V471 PolarHBondContact O-N 2.88Å; I468-V471 PolarHBondContact O-N 3.33Å; Q469-V471 PolarHBondContact O-N 3.24Å; V471-A473 VanDerWaalsContact C-N 3.33Å; V471-A473 PolarHBondContact O-N 3.27Å; V471-K474 WeakPolarHBondContact O-CA 3.48Å; V471-K474 PolarHBondContact O-N 3.17Å; V471-I476 WeakPolarHBondContact CA-O 3.34Å; V471-I476 HydrophobicContact CG2-CB 3.72Å; V471-I476 HydrophobicContact CG2-CG2 3.8Å; V471-A478 HydrophobicContact CG1-CB 3.86Å; V471-L481 HydrophobicContact CG2-CD2 3.98Å; V471-L498 HydrophobicContact CB-CD1 4.11Å; V471-L498 HydrophobicContact CB-CD2 4.36Å; V471-L498 HydrophobicContact CG1-CD1 3.7Å; V471-L498 HydrophobicContact CG1-CD2 4.16Å; V471-L498 HydrophobicContact CG2-CD1 4.23Å
472N90.9Very high89.4Confident93 Ų9346 Ų4650%0.49724%0.24SC..Hα-helixtrans-65.5-36.5178.2-72.7-27.8000112.1I468 Q469 K474I468-N472 WeakPolarHBondContact O-CB 3.29Å; I468-N472 VanDerWaalsContact O-CG 3.26Å; I468-N472 PolarHBondContact O-N 3.01Å; I468-N472 PolarHBondContact O-ND2 3.27Å; Q469-N472 PolarHBondContact O-N 3.31Å; N472-K474 PolarHBondContact O-N 3.44Å
473A92.1Very high89Confident43 Ų4351.6 Ų51.636%0.35528%0.275SS..THydrogen-bonded Turntrans-73.13171.200000114.1N445 Q469 V471 H475N445-A473 VanDerWaalsContact ND2-CB 3.31Å; N445-A473 WeakPolarHBondContact ND2-CB 3.35Å; Q469-A473 WeakPolarHBondContact O-CB 3.46Å; Q469-A473 PolarHBondContact O-N 3.2Å; V471-A473 VanDerWaalsContact C-N 3.33Å; V471-A473 PolarHBondContact O-N 3.27Å; A473-H475 VanDerWaalsContact CB-CD2 3.5Å; A473-H475 WeakPolarHBondContact CB-CD2 3.45Å; A473-H475 PolarHBondContact O-N 3.42Å
474K91.4Very high88.6Confident187 Ų18754 Ų5481%0.81329%0.285SS*.THydrogen-bonded Turntrans63.412.1179.8-52.5178.1-177173.70115.5L470 V471 N472L470-K474 PolarHBondContact O-N 3.38Å; V471-K474 WeakPolarHBondContact O-CA 3.48Å; V471-K474 PolarHBondContact O-N 3.17Å; N472-K474 PolarHBondContact O-N 3.44Å
475H90.3Very high88.4Confident95 Ų9552.7 Ų52.744%0.4428%0.279SS..SBendtrans-70.7-33173-57.3-64000111.9N445 L449 L470 A473N445-H475 PolarHBondContact ND2-NE2 3.48Å; L449-H475 HydrophobicContact CD1-CB 4.43Å; L449-H475 HydrophobicContact CD2-CB 3.9Å; L470-H475 HydrophobicContact CD2-CB 4.45Å; L470-H475 PolarHBondContact O-N 2.79Å; A473-H475 VanDerWaalsContact CB-CD2 3.5Å; A473-H475 WeakPolarHBondContact CB-CD2 3.45Å; A473-H475 PolarHBondContact O-N 3.42Å
476I88.4Confident88.3Confident4 Ų454.5 Ų54.52%0.02128%0.278CS..SBendtrans-112.1121.8174.4-60.1173.6000109.9L452 I467 L470 V471 A478 L481 L484L452-I476 HydrophobicContact CD2-CD1 3.7Å; L452-I476 HydrophobicContact CD2-CG1 4.01Å; I467-I476 HydrophobicContact CG2-CD1 4.2Å; L470-I476 HydrophobicContact CB-CD1 3.68Å; L470-I476 HydrophobicContact CB-CG1 3.99Å; L470-I476 HydrophobicContact CD1-CD1 3.88Å; L470-I476 HydrophobicContact CG-CD1 4.46Å; L470-I476 PolarHBondContact O-N 3Å; V471-I476 WeakPolarHBondContact CA-O 3.34Å; V471-I476 HydrophobicContact CG2-CB 3.72Å; V471-I476 HydrophobicContact CG2-CG2 3.8Å; I476-A478 PolarHBondContact O-N 3.28Å; I476-L481 HydrophobicContact CG2-CD2 4.09Å; I476-L484 HydrophobicContact CG2-CD1 3.8Å
477P87.4Confident88.2Confident49 Ų4957.9 Ų57.932%0.31830%0.299SS..  trans-74122.4171.928.7-32.2000110.9Y479 K480P477-Y479 HydrophobicContact CB-CD1 4.03Å; P477-Y479 HydrophobicContact CB-CE1 3.63Å; P477-Y479 HydrophobicContact CG-CE1 4.45Å; P477-Y479 PolarHBondContact O-N 3.3Å; P477-K480 HydrophobicContact CG-CB 4.2Å; P477-K480 HydrophobicContact CG-CD 3.87Å; P477-K480 HydrophobicContact CG-CG 3.93Å; P477-K480 PolarHBondContact O-N 3.34Å
478A84.6Confident88.3Confident39 Ų3961.4 Ų61.432%0.32232%0.315SS..THydrogen-bonded Turntrans-59.7-14.3-17200000116.2V471 I476 R495V471-A478 HydrophobicContact CG1-CB 3.86Å; I476-A478 PolarHBondContact O-N 3.28Å; A478-R495 PolarHBondContact O-NE 3.26Å; A478-R495 PolarHBondContact O-NH2 2.98Å
479Y82.6Confident88.4Confident146 Ų14663.8 Ų63.857%0.57333%0.326SS*.THydrogen-bonded Turntrans-86.3-6.3175.270.2-97.5000113.7P477P477-Y479 HydrophobicContact CB-CD1 4.03Å; P477-Y479 HydrophobicContact CB-CE1 3.63Å; P477-Y479 HydrophobicContact CG-CE1 4.45Å; P477-Y479 PolarHBondContact O-N 3.3Å
480K85.5Confident88.5Confident98 Ų9862.3 Ų62.343%0.42632%0.317SS..SBendtrans-104.76.2176.3-62.3-164.9178.9-174.90113.9P477 E482 T483 L484P477-K480 HydrophobicContact CG-CB 4.2Å; P477-K480 HydrophobicContact CG-CD 3.87Å; P477-K480 HydrophobicContact CG-CG 3.93Å; P477-K480 PolarHBondContact O-N 3.34Å; K480-E482 VanDerWaalsContact C-N 3.33Å; K480-E482 PolarHBondContact O-N 3Å; K480-T483 PolarHBondContact O-N 2.93Å; K480-L484 HydrophobicContact CB-CD1 3.97Å; K480-L484 HydrophobicContact CB-CG 4.43Å; K480-L484 WeakPolarHBondContact O-CG 3.44Å; K480-L484 PolarHBondContact O-N 3.45Å; K480-L484 VanDerWaalsContact O-N 3.14Å
481L86.1Confident88.6Confident0 Ų062.3 Ų62.30%032%0.317CS..Hα-helixtrans-56.2-46.9-174.7-77.9169.6000111.7I467 V471 I476 T483 L484 M485 I494 R495 L498I467-L481 HydrophobicContact CG2-CD2 3.94Å; V471-L481 HydrophobicContact CG2-CD2 3.98Å; I476-L481 HydrophobicContact CG2-CD2 4.09Å; L481-T483 PolarHBondContact O-N 2.95Å; L481-T483 VanDerWaalsContact O-N 3.09Å; L481-L484 PolarHBondContact O-N 3.22Å; L481-M485 HydrophobicContact CD2-CE 4.29Å; L481-M485 WeakPolarHBondContact O-CB 3.45Å; L481-M485 VanDerWaalsContact O-CG 3.25Å; L481-M485 WeakPolarHBondContact O-CG 3.18Å; L481-M485 PolarHBondContact O-N 3.25Å; L481-I494 HydrophobicContact CD1-CB 4.45Å; L481-I494 HydrophobicContact CD1-CG2 3.92Å; L481-I494 HydrophobicContact CD2-CG2 4.12Å; L481-R495 HydrophobicContact CD1-CB 4.33Å; L481-L498 HydrophobicContact CD1-CD1 4.02Å
482E80.1Confident88.7Confident7 Ų761.5 Ų61.53%0.03331%0.313CS..Hα-helixtrans-67.1-10.2-179.8-50.992.8128.400114.1K480 V492 R495 M523K480-E482 VanDerWaalsContact C-N 3.33Å; K480-E482 PolarHBondContact O-N 3Å; E482-V492 HydrophobicContact CG-CG2 4.43Å; E482-R495 VanDerWaalsContact CD-NH2 3.25Å; E482-R495 IonicContact OE1-CZ 2.79Å; E482-R495 IonicContact OE1-NH1 3.55Å; E482-R495 PolarHBondContact OE1-NH1 3.12Å; E482-R495 IonicContact OE1-NH2 3.6Å; E482-R495 PolarHBondContact OE1-NH2 3.2Å; E482-R495 VanDerWaalsContact OE1-NH2 3.1Å; E482-R495 IonicContact OE2-CZ 3.27Å; E482-R495 IonicContact OE2-NH1 2.86Å; E482-R495 IonicContact OE2-NH2 2.77Å; E482-R495 PolarHBondContact OE2-NH2 2.87Å; E482-M523 HydrophobicContact CB-CE 4.07Å; E482-M523 HydrophobicContact CB-CG 4.27Å; E482-M523 HydrophobicContact CB-SD 4.35Å; E482-M523 HydrophobicContact CG-CE 3.99Å; E482-M523 HydrophobicContact CG-SD 4.04Å; E482-M523 WeakPolarHBondContact OE1-CE 3.15Å
483T81.9Confident89Confident119 Ų11958 Ų5873%0.7330%0.296SS*.Hα-helixtrans-102.8-14.6174.1-38.20000112.5K480 L481K480-T483 PolarHBondContact O-N 2.93Å; L481-T483 PolarHBondContact O-N 2.95Å; L481-T483 VanDerWaalsContact O-N 3.09Å
484L83.8Confident89.1Confident72 Ų7256 Ų5638%0.37728%0.279SS..Hα-helixtrans-107.1-24.8-178.6-68.5169.8000112.6A459 I476 K480 L481A459-L484 VanDerWaalsContact CB-O 3.31Å; A459-L484 WeakPolarHBondContact CB-O 3.32Å; I476-L484 HydrophobicContact CG2-CD1 3.8Å; K480-L484 HydrophobicContact CB-CD1 3.97Å; K480-L484 HydrophobicContact CB-CG 4.43Å; K480-L484 WeakPolarHBondContact O-CG 3.44Å; K480-L484 PolarHBondContact O-N 3.45Å; K480-L484 VanDerWaalsContact O-N 3.14Å; L481-L484 PolarHBondContact O-N 3.22Å
485M87.8Confident89.3Confident13 Ų1347.9 Ų47.96%0.06424%0.243CC..SBendtrans-80.8150.5172.4-61.4-53.996.100110.5A459 I467 L481 T487 R490 I494A459-M485 HydrophobicContact CB-CE 3.52Å; A459-M485 HydrophobicContact CB-SD 3.85Å; I467-M485 HydrophobicContact CD1-CE 4.22Å; I467-M485 HydrophobicContact CD1-SD 3.67Å; I467-M485 HydrophobicContact CG1-CE 4.41Å; I467-M485 HydrophobicContact CG1-SD 4.43Å; I467-M485 HydrophobicContact CG2-CE 3.85Å; I467-M485 HydrophobicContact CG2-SD 4.13Å; L481-M485 HydrophobicContact CD2-CE 4.29Å; L481-M485 WeakPolarHBondContact O-CB 3.45Å; L481-M485 VanDerWaalsContact O-CG 3.25Å; L481-M485 WeakPolarHBondContact O-CG 3.18Å; L481-M485 PolarHBondContact O-N 3.25Å; M485-T487 PolarHBondContact O-N 2.95Å; M485-R490 HydrophobicContact CB-CB 4.47Å; M485-I494 HydrophobicContact CG-CD1 4.28Å; M485-I494 HydrophobicContact SD-CD1 3.6Å
486E86.7Confident89.5Confident90 Ų9044.5 Ų44.542%0.42123%0.227SC..SBendtrans-64.9-20.3176.368.9-75.5179.100113.6K460 R490K460-E486 HydrophobicContact CB-CG 4.38Å; K460-E486 HydrophobicContact CG-CG 4.39Å; E486-R490 WeakPolarHBondContact OE1-CD 3.38Å; E486-R490 IonicContact OE1-CZ 3.47Å; E486-R490 IonicContact OE1-NE 3.64Å; E486-R490 IonicContact OE1-NH1 3.42Å; E486-R490 PolarHBondContact OE1-NH1 2.85Å; E486-R490 IonicContact OE2-NH1 3.06Å; E486-R490 PolarHBondContact OE2-NH1 3.09Å
487T91.9Very high89.9Confident72 Ų7247.6 Ų47.644%0.44224%0.241SC..SBendtrans-137144.817063.90000112.3M485 E489 R490 G491M485-T487 PolarHBondContact O-N 2.95Å; T487-E489 VanDerWaalsContact C-N 3.28Å; T487-E489 PolarHBondContact O-N 2.93Å; T487-R490 PolarHBondContact O-N 3.33Å; T487-R490 VanDerWaalsContact OG1-CB 3.3Å; T487-R490 WeakPolarHBondContact OG1-CB 3.37Å; T487-R490 PolarHBondContact OG1-N 3.12Å; T487-G491 PolarHBondContact O-N 3.24Å
488H93.1Very high90.2Very high73 Ų7345.8 Ų45.834%0.33823%0.228SC..Hα-helixtrans-57.5-40.1174-56.798.6000112.2R490 G491 V492H488-R490 PolarHBondContact O-N 3.35Å; H488-G491 PolarHBondContact O-N 3.37Å; H488-V492 WeakPolarHBondContact O-CG2 3.29Å; H488-V492 PolarHBondContact O-N 2.87Å
489E95.1Very high90.7Very high57 Ų5746.4 Ų46.427%0.26623%0.226SC..Hα-helixtrans-63.7-40.3179-171.6-179.3128.100112T487 G491 V492 S493 Y514 R515 D516T487-E489 VanDerWaalsContact C-N 3.28Å; T487-E489 PolarHBondContact O-N 2.93Å; E489-G491 VanDerWaalsContact C-N 3.32Å; E489-G491 PolarHBondContact O-N 3.2Å; E489-V492 CarbonylContact O-C 3.6Å; E489-V492 WeakPolarHBondContact O-CB 3.42Å; E489-V492 PolarHBondContact O-N 3.37Å; E489-V492 VanDerWaalsContact O-N 3.15Å; E489-S493 PolarHBondContact O-N 3.15Å; E489-Y514 HydrophobicContact CG-CD2 3.96Å; E489-Y514 HydrophobicContact CG-CE2 4.05Å; E489-R515 WeakPolarHBondContact OE1-CG 3.36Å; E489-R515 WeakPolarHBondContact OE2-CA 3.49Å; E489-D516 PolarHBondContact OE2-N 3.45Å
490R94.4Very high91.3Very high34 Ų3440.7 Ų40.713%0.12821%0.207CC..Hα-helixtrans-63.8-38.8174.5-170.1177.7-176.9-153.8-3.2111.8A459 L462 D464 M485 E486 T487 H488 V492 S493 I494A459-R490 PolarHBondContact O-NH1 2.89Å; L462-R490 PolarHBondContact O-NH2 3.01Å; D464-R490 IonicContact OD1-CZ 3.16Å; D464-R490 VanDerWaalsContact OD1-CZ 3.27Å; D464-R490 IonicContact OD1-NE 3.93Å; D464-R490 PolarHBondContact OD1-NE 3.45Å; D464-R490 IonicContact OD1-NH2 3.98Å; D464-R490 PolarHBondContact OD1-NH2 3.08Å; M485-R490 HydrophobicContact CB-CB 4.47Å; E486-R490 WeakPolarHBondContact OE1-CD 3.38Å; E486-R490 IonicContact OE1-CZ 3.47Å; E486-R490 IonicContact OE1-NE 3.64Å; E486-R490 IonicContact OE1-NH1 3.42Å; E486-R490 PolarHBondContact OE1-NH1 2.85Å; E486-R490 IonicContact OE2-NH1 3.06Å; E486-R490 PolarHBondContact OE2-NH1 3.09Å; T487-R490 PolarHBondContact O-N 3.33Å; T487-R490 VanDerWaalsContact OG1-CB 3.3Å; T487-R490 WeakPolarHBondContact OG1-CB 3.37Å; T487-R490 PolarHBondContact OG1-N 3.12Å; H488-R490 PolarHBondContact O-N 3.35Å; R490-V492 VanDerWaalsContact C-N 3.31Å; R490-V492 PolarHBondContact O-N 2.91Å; R490-S493 WeakPolarHBondContact O-CB 3.43Å; R490-S493 PolarHBondContact O-N 3.38Å; R490-I494 HydrophobicContact CG-CD1 3.93Å; R490-I494 HydrophobicContact CG-CG1 4.43Å; R490-I494 WeakPolarHBondContact O-CG1 3.47Å; R490-I494 PolarHBondContact O-N 2.91Å
491G94.1Very high91.7Very high0 Ų043.2 Ų43.20%022%0.218CC..Hα-helixtrans-57.8-41.8171.600000113T487 H488 E489 R495T487-G491 PolarHBondContact O-N 3.24Å; H488-G491 PolarHBondContact O-N 3.37Å; E489-G491 VanDerWaalsContact C-N 3.32Å; E489-G491 PolarHBondContact O-N 3.2Å; G491-R495 PolarHBondContact O-N 2.91Å
492V95.5Very high92.1Very high0 Ų050.7 Ų50.70%025%0.251CS..Hα-helixtrans-67.7-42.7173.9174.40000111.8E482 H488 E489 R490 R495 R496 Y514 Y519 V530E482-V492 HydrophobicContact CG-CG2 4.43Å; H488-V492 WeakPolarHBondContact O-CG2 3.29Å; H488-V492 PolarHBondContact O-N 2.87Å; E489-V492 CarbonylContact O-C 3.6Å; E489-V492 WeakPolarHBondContact O-CB 3.42Å; E489-V492 PolarHBondContact O-N 3.37Å; E489-V492 VanDerWaalsContact O-N 3.15Å; R490-V492 VanDerWaalsContact C-N 3.31Å; R490-V492 PolarHBondContact O-N 2.91Å; V492-R495 PolarHBondContact O-N 2.93Å; V492-R496 HydrophobicContact CG1-CG 4.48Å; V492-R496 VanDerWaalsContact O-CG 3.25Å; V492-R496 WeakPolarHBondContact O-CG 3.41Å; V492-R496 PolarHBondContact O-N 2.85Å; V492-Y514 HydrophobicContact CG1-CD2 4.24Å; V492-Y514 HydrophobicContact CG1-CG 4.46Å; V492-Y519 HydrophobicContact CB-CE2 4.34Å; V492-Y519 HydrophobicContact CG1-CE2 4.38Å; V492-Y519 HydrophobicContact CG2-CD2 4.15Å; V492-Y519 HydrophobicContact CG2-CE1 4.48Å; V492-Y519 HydrophobicContact CG2-CE2 3.99Å; V492-Y519 HydrophobicContact CG2-CG 4.43Å; V492-V530 HydrophobicContact CG2-CB 4.12Å; V492-V530 HydrophobicContact CG2-CG1 3.89Å
493S96.3Very high92.8Very high20 Ų2053.3 Ų53.314%0.1427%0.265CS..Hα-helixtrans-56.1-50.8174.4176.80000111.6E489 R490 R495 R496 Q497E489-S493 PolarHBondContact O-N 3.15Å; R490-S493 WeakPolarHBondContact O-CB 3.43Å; R490-S493 PolarHBondContact O-N 3.38Å; S493-R495 VanDerWaalsContact C-N 3.35Å; S493-R495 PolarHBondContact O-N 3.34Å; S493-R496 WeakPolarHBondContact O-CB 3.14Å; S493-R496 PolarHBondContact O-N 3.2Å; S493-R496 VanDerWaalsContact O-N 3.13Å; S493-Q497 WeakPolarHBondContact O-CG 3.41Å; S493-Q497 PolarHBondContact O-N 3.24Å; S493-Q497 PolarHBondContact OG-NE2 3.21Å; S493-Q497 VanDerWaalsContact OG-NE2 3.11Å
494I94.8Very high93.5Very high0 Ų054 Ų540%027%0.274CS..Hα-helixtrans-65.2-38.8-179.1-69.1169.9000110.6D464 I467 I468 L481 M485 R490 R496 Q497 L498D464-I494 HydrophobicContact CB-CG1 4.21Å; I467-I494 HydrophobicContact CB-CD1 4.14Å; I467-I494 HydrophobicContact CD1-CD1 3.74Å; I467-I494 HydrophobicContact CG2-CD1 3.95Å; I467-I494 HydrophobicContact CG2-CG2 4.09Å; I468-I494 HydrophobicContact CG1-CG2 4.1Å; L481-I494 HydrophobicContact CD1-CB 4.45Å; L481-I494 HydrophobicContact CD1-CG2 3.92Å; L481-I494 HydrophobicContact CD2-CG2 4.12Å; M485-I494 HydrophobicContact CG-CD1 4.28Å; M485-I494 HydrophobicContact SD-CD1 3.6Å; R490-I494 HydrophobicContact CG-CD1 3.93Å; R490-I494 HydrophobicContact CG-CG1 4.43Å; R490-I494 WeakPolarHBondContact O-CG1 3.47Å; R490-I494 PolarHBondContact O-N 2.91Å; I494-R496 PolarHBondContact O-N 3.37Å; I494-Q497 PolarHBondContact O-N 3.43Å; I494-L498 HydrophobicContact CG2-CD1 4.08Å; I494-L498 WeakPolarHBondContact O-CB 3.48Å; I494-L498 VanDerWaalsContact O-CG 3.32Å; I494-L498 WeakPolarHBondContact O-CG 3.39Å; I494-L498 PolarHBondContact O-N 2.98Å
495R94.8Very high94.1Very high17 Ų1755.1 Ų55.16%0.06428%0.278CS..Hα-helixtrans-62.5-40.8172.2-172177.2-63.6114.92.6112.3A478 L481 E482 G491 V492 S493 L498 L499 N529 V530 I531A478-R495 PolarHBondContact O-NE 3.26Å; A478-R495 PolarHBondContact O-NH2 2.98Å; L481-R495 HydrophobicContact CD1-CB 4.33Å; E482-R495 VanDerWaalsContact CD-NH2 3.25Å; E482-R495 IonicContact OE1-CZ 2.79Å; E482-R495 IonicContact OE1-NH1 3.55Å; E482-R495 PolarHBondContact OE1-NH1 3.12Å; E482-R495 IonicContact OE1-NH2 3.6Å; E482-R495 PolarHBondContact OE1-NH2 3.2Å; E482-R495 VanDerWaalsContact OE1-NH2 3.1Å; E482-R495 IonicContact OE2-CZ 3.27Å; E482-R495 IonicContact OE2-NH1 2.86Å; E482-R495 IonicContact OE2-NH2 2.77Å; E482-R495 PolarHBondContact OE2-NH2 2.87Å; G491-R495 PolarHBondContact O-N 2.91Å; V492-R495 PolarHBondContact O-N 2.93Å; S493-R495 VanDerWaalsContact C-N 3.35Å; S493-R495 PolarHBondContact O-N 3.34Å; R495-L498 PolarHBondContact O-N 3.39Å; R495-L499 WeakPolarHBondContact O-CB 3.43Å; R495-L499 PolarHBondContact O-N 2.93Å; R495-N529 WeakPolarHBondContact CD-O 3.33Å; R495-N529 VanDerWaalsContact NH1-C 3.32Å; R495-V530 VanDerWaalsContact NH1-N 3.16Å; R495-V530 PolarHBondContact NH1-O 3.22Å; R495-I531 HydrophobicContact CG-CG2 3.93Å
496R95.8Very high94.3Very high25 Ų2557.9 Ų57.99%0.09430%0.296CS..Hα-helixtrans-61.8-43.8175.8-69.7162.761.587.5-1111.4V492 S493 I494 L498 L499 S500 L509 L512 I531V492-R496 HydrophobicContact CG1-CG 4.48Å; V492-R496 VanDerWaalsContact O-CG 3.25Å; V492-R496 WeakPolarHBondContact O-CG 3.41Å; V492-R496 PolarHBondContact O-N 2.85Å; S493-R496 WeakPolarHBondContact O-CB 3.14Å; S493-R496 PolarHBondContact O-N 3.2Å; S493-R496 VanDerWaalsContact O-N 3.13Å; I494-R496 PolarHBondContact O-N 3.37Å; R496-L498 PolarHBondContact O-N 3.1Å; R496-L499 PolarHBondContact O-N 3.4Å; R496-L499 VanDerWaalsContact O-N 3.15Å; R496-S500 PolarHBondContact O-N 3.21Å; R496-L509 HydrophobicContact CB-CD1 4.35Å; R496-L509 PolarHBondContact NH2-O 2.98Å; R496-L512 PolarHBondContact NH1-O 3.39Å; R496-L512 PolarHBondContact NH2-O 3.02Å; R496-L512 VanDerWaalsContact NH2-O 3.13Å; R496-I531 WeakPolarHBondContact CD-O 3.38Å; R496-I531 HydrophobicContact CG-CB 4.12Å; R496-I531 VanDerWaalsContact CG-O 3.25Å; R496-I531 WeakPolarHBondContact CG-O 3.48Å; R496-I531 PolarHBondContact NH1-O 3.38Å
497Q95.3Very high94.7Very high68 Ų6856.6 Ų56.632%0.31830%0.297SS..Hα-helixtrans-63.1-40.1175.4-67.5173.459.700112.6D464 I468 S493 I494 L499D464-Q497 PolarHBondContact OD2-NE2 2.99Å; I468-Q497 HydrophobicContact CD1-CB 3.7Å; S493-Q497 WeakPolarHBondContact O-CG 3.41Å; S493-Q497 PolarHBondContact O-N 3.24Å; S493-Q497 PolarHBondContact OG-NE2 3.21Å; S493-Q497 VanDerWaalsContact OG-NE2 3.11Å; I494-Q497 PolarHBondContact O-N 3.43Å; Q497-L499 VanDerWaalsContact C-N 3.3Å; Q497-L499 PolarHBondContact O-N 3.31Å
498L93.9Very high94.9Very high11 Ų1156.7 Ų56.76%0.05830%0.301CS..Hα-helixtrans-65.8-30172.9-73.8164.6000113.2I468 V471 L481 I494 R495 R496I468-L498 HydrophobicContact CB-CD2 4.26Å; I468-L498 HydrophobicContact CG1-CD2 4.09Å; I468-L498 HydrophobicContact CG1-CG 4.09Å; I468-L498 HydrophobicContact CG2-CD2 3.87Å; V471-L498 HydrophobicContact CB-CD1 4.11Å; V471-L498 HydrophobicContact CB-CD2 4.36Å; V471-L498 HydrophobicContact CG1-CD1 3.7Å; V471-L498 HydrophobicContact CG1-CD2 4.16Å; V471-L498 HydrophobicContact CG2-CD1 4.23Å; L481-L498 HydrophobicContact CD1-CD1 4.02Å; I494-L498 HydrophobicContact CG2-CD1 4.08Å; I494-L498 WeakPolarHBondContact O-CB 3.48Å; I494-L498 VanDerWaalsContact O-CG 3.32Å; I494-L498 WeakPolarHBondContact O-CG 3.39Å; I494-L498 PolarHBondContact O-N 2.98Å; R495-L498 PolarHBondContact O-N 3.39Å; R496-L498 PolarHBondContact O-N 3.1Å
499L95.6Very high95Very high52 Ų5253.9 Ų53.927%0.27229%0.289SS..Hα-helixtrans-80.8-46178.4-177.957.5000111.8R495 R496 Q497 K501 K502 L503 L509 I531R495-L499 WeakPolarHBondContact O-CB 3.43Å; R495-L499 PolarHBondContact O-N 2.93Å; R496-L499 PolarHBondContact O-N 3.4Å; R496-L499 VanDerWaalsContact O-N 3.15Å; Q497-L499 VanDerWaalsContact C-N 3.3Å; Q497-L499 PolarHBondContact O-N 3.31Å; L499-K501 PolarHBondContact O-N 2.82Å; L499-K501 VanDerWaalsContact O-N 3.14Å; L499-K502 WeakPolarHBondContact O-CA 3.35Å; L499-K502 WeakPolarHBondContact O-CB 3.32Å; L499-K502 PolarHBondContact O-N 3.36Å; L499-L503 HydrophobicContact CD1-CD2 4.05Å; L499-L503 HydrophobicContact CD1-CG 4.49Å; L499-L503 HydrophobicContact CG-CD1 4.49Å; L499-L503 HydrophobicContact CG-CD2 4.31Å; L499-L503 HydrophobicContact CG-CG 4.36Å; L499-L503 PolarHBondContact O-N 2.82Å; L499-L509 HydrophobicContact CB-CD1 4.12Å; L499-L509 HydrophobicContact CD2-CD1 4.08Å; L499-L509 HydrophobicContact CD2-CD2 4.46Å; L499-L509 HydrophobicContact CG-CD1 4.08Å; L499-I531 HydrophobicContact CD2-CD1 3.87Å; L499-I531 HydrophobicContact CD2-CG2 4.01Å
500S96Very high95.1Very high26 Ų2657.6 Ų57.618%0.18231%0.306CS..Hα-helixtrans-51.9-37.2176.5-84.30000112.7R496 K502 L503 P506R496-S500 PolarHBondContact O-N 3.21Å; S500-K502 PolarHBondContact O-N 3.39Å; S500-K502 VanDerWaalsContact O-N 3.16Å; S500-L503 PolarHBondContact O-N 2.9Å; S500-P506 WeakPolarHBondContact CB-O 3.29Å; S500-P506 PolarHBondContact OG-O 3.27Å
501K93.8Very high95.1Very high151 Ų15165.4 Ų65.466%0.65734%0.337SS*.THydrogen-bonded Turntrans-69.2-4176.2-66.9-179.8-178.3-175.60114.7L499L499-K501 PolarHBondContact O-N 2.82Å; L499-K501 VanDerWaalsContact O-N 3.14Å
502K94.6Very high95.3Very high158 Ų15867 Ų6769%0.68735%0.345SS*.THydrogen-bonded Turntrans-120.7-5.3-179.4-60.8175.5-175.3178.60113.3L499 S500L499-K502 WeakPolarHBondContact O-CA 3.35Å; L499-K502 WeakPolarHBondContact O-CB 3.32Å; L499-K502 PolarHBondContact O-N 3.36Å; S500-K502 PolarHBondContact O-N 3.39Å; S500-K502 VanDerWaalsContact O-N 3.16Å
503L95Very high95.4Very high61 Ų6168.8 Ų68.832%0.31936%0.357SS..SBendtrans-85.5149.5173.6-58.4-179.5000109.5L499 S500 E505 L509L499-L503 HydrophobicContact CD1-CD2 4.05Å; L499-L503 HydrophobicContact CD1-CG 4.49Å; L499-L503 HydrophobicContact CG-CD1 4.49Å; L499-L503 HydrophobicContact CG-CD2 4.31Å; L499-L503 HydrophobicContact CG-CG 4.36Å; L499-L503 PolarHBondContact O-N 2.82Å; S500-L503 PolarHBondContact O-N 2.9Å; L503-E505 PolarHBondContact O-N 3.34Å; L503-L509 HydrophobicContact CD1-CD1 4.16Å; L503-L509 HydrophobicContact CD1-CG 4.18Å
504S96.2Very high95.5Very high133 Ų13369.4 Ų69.493%0.9336%0.356SS*.SBendtrans-63.8-31.5169.946.60000112.5
505E95.3Very high95.6Very high96 Ų9676.4 Ų76.445%0.44938%0.383SS..SBendtrans-118.896.2174175.345-9900109.3L503 S507 S508L503-E505 PolarHBondContact O-N 3.34Å; E505-S507 PolarHBondContact O-N 3.44Å; E505-S507 VanDerWaalsContact OE1-CB 3.28Å; E505-S507 WeakPolarHBondContact OE1-CB 3.37Å; E505-S507 PolarHBondContact OE1-N 2.92Å; E505-S507 PolarHBondContact OE1-OG 2.72Å; E505-S508 WeakPolarHBondContact CB-OG 3.4Å; E505-S508 WeakPolarHBondContact O-CB 3.35Å; E505-S508 PolarHBondContact O-N 3.23Å; E505-S508 VanDerWaalsContact O-N 3.15Å; E505-S508 PolarHBondContact O-OG 3.37Å
506P92.2Very high95.7Very high71 Ų7183.1 Ų83.146%0.46142%0.42SS..G310 helixtrans-60.4-25.1-175.3-26.536000114.8S500 S508S500-P506 WeakPolarHBondContact CB-O 3.29Å; S500-P506 PolarHBondContact OG-O 3.27Å; P506-S508 VanDerWaalsContact C-N 3.3Å; P506-S508 PolarHBondContact O-N 3.49Å
507S95.5Very high95.8Very high63 Ų6384.6 Ų84.644%0.44143%0.426SS..G310 helixtrans-77.2-11179.569.90000114.1E505 L509 Q510E505-S507 PolarHBondContact O-N 3.44Å; E505-S507 VanDerWaalsContact OE1-CB 3.28Å; E505-S507 WeakPolarHBondContact OE1-CB 3.37Å; E505-S507 PolarHBondContact OE1-N 2.92Å; E505-S507 PolarHBondContact OE1-OG 2.72Å; S507-L509 PolarHBondContact O-N 2.86Å; S507-Q510 WeakPolarHBondContact O-CB 3.14Å; S507-Q510 PolarHBondContact O-N 3.11Å
508S95.4Very high95.8Very high75 Ų7584.8 Ų84.852%0.52443%0.429SS..G310 helixtrans-49.4-30.1-175.7-60.60000115E505 P506 Q510E505-S508 WeakPolarHBondContact CB-OG 3.4Å; E505-S508 WeakPolarHBondContact O-CB 3.35Å; E505-S508 PolarHBondContact O-N 3.23Å; E505-S508 VanDerWaalsContact O-N 3.15Å; E505-S508 PolarHBondContact O-OG 3.37Å; P506-S508 VanDerWaalsContact C-N 3.3Å; P506-S508 PolarHBondContact O-N 3.49Å; S508-Q510 VanDerWaalsContact C-N 3.35Å
509L96.2Very high95.9Very high14 Ų1484.5 Ų84.57%0.07343%0.427CS..G310 helixtrans-81.7-6.9-178.7-71.5165.8000114R496 L499 L503 S507 Y511 L512 I531R496-L509 HydrophobicContact CB-CD1 4.35Å; R496-L509 PolarHBondContact NH2-O 2.98Å; L499-L509 HydrophobicContact CB-CD1 4.12Å; L499-L509 HydrophobicContact CD2-CD1 4.08Å; L499-L509 HydrophobicContact CD2-CD2 4.46Å; L499-L509 HydrophobicContact CG-CD1 4.08Å; L503-L509 HydrophobicContact CD1-CD1 4.16Å; L503-L509 HydrophobicContact CD1-CG 4.18Å; S507-L509 PolarHBondContact O-N 2.86Å; L509-Y511 VanDerWaalsContact C-N 3.32Å; L509-Y511 PolarHBondContact O-N 3.15Å; L509-L512 HydrophobicContact CD2-CB 4.49Å; L509-L512 HydrophobicContact CD2-CD2 3.72Å; L509-L512 PolarHBondContact O-N 3.48Å; L509-I531 HydrophobicContact CD2-CD1 4.17Å
510Q95.8Very high95.8Very high134 Ų13485 Ų8563%0.62644%0.435SS*.THydrogen-bonded Turntrans-54.3-44.2-176-178.9179.59.600112.8S507 S508S507-Q510 WeakPolarHBondContact O-CB 3.14Å; S507-Q510 PolarHBondContact O-N 3.11Å; S508-Q510 VanDerWaalsContact C-N 3.35Å
511Y95.9Very high95.7Very high198 Ų19886.7 Ų86.778%0.77644%0.442SS*.THydrogen-bonded Turntrans-95.21.4-176.9-64.3-78.5000114.2L509 P513L509-Y511 VanDerWaalsContact C-N 3.32Å; L509-Y511 PolarHBondContact O-N 3.15Å; Y511-P513 VanDerWaalsContact O-CD 3.31Å; Y511-P513 WeakPolarHBondContact O-CD 3.15Å
512L98Very high95.7Very high33 Ų3380 Ų8017%0.17341%0.413CS..SBendtrans-85.9108169.1-178.669.6000108.4R496 L509 I531 Y533 M534R496-L512 PolarHBondContact NH1-O 3.39Å; R496-L512 PolarHBondContact NH2-O 3.02Å; R496-L512 VanDerWaalsContact NH2-O 3.13Å; L509-L512 HydrophobicContact CD2-CB 4.49Å; L509-L512 HydrophobicContact CD2-CD2 3.72Å; L509-L512 PolarHBondContact O-N 3.48Å; L512-I531 HydrophobicContact CD2-CD1 3.89Å; L512-I531 HydrophobicContact CD2-CG1 3.99Å; L512-Y533 WeakPolarHBondContact CD1-O 3.25Å; L512-M534 HydrophobicContact CD1-CE 3.78Å
513P98Very high95.4Very high38 Ų3874.7 Ų74.725%0.24739%0.392CS..  trans-70.4156.6-17731.6-36.6000111.6Y511 G532 Y533 P535Y511-P513 VanDerWaalsContact O-CD 3.31Å; Y511-P513 WeakPolarHBondContact O-CD 3.15Å; P513-G532 CarbonylContact O-C 3.32Å; P513-G532 WeakPolarHBondContact O-CA 3.32Å; P513-Y533 HydrophobicContact CB-CE1 3.91Å; P513-Y533 HydrophobicContact CB-CE2 4.14Å; P513-Y533 WeakPolarHBondContact CD-O 3.33Å; P513-Y533 HydrophobicContact CG-CD2 4.03Å; P513-Y533 HydrophobicContact CG-CE1 4.2Å; P513-Y533 HydrophobicContact CG-CE2 3.71Å; P513-Y533 HydrophobicContact CG-CG 4.42Å; P513-Y533 WeakPolarHBondContact CG-O 3.15Å; P513-Y533 PolarHBondContact O-N 3.02Å; P513-P535 HydrophobicContact CG-CG 3.74Å
514Y97.9Very high95Very high34 Ų3475.5 Ų75.513%0.13342%0.415CS..  trans-152.2-28.7178.874.9-80.4000113.9E489 V492 Y519E489-Y514 HydrophobicContact CG-CD2 3.96Å; E489-Y514 HydrophobicContact CG-CE2 4.05Å; V492-Y514 HydrophobicContact CG1-CD2 4.24Å; V492-Y514 HydrophobicContact CG1-CG 4.46Å; Y514-Y519 WeakPolarHBondContact CA-OH 3.35Å; Y514-Y519 WeakPolarHBondContact O-CE2 3.4Å; Y514-Y519 PolarHBondContact O-OH 3.34Å; Y514-Y519 VanDerWaalsContact O-OH 3.11Å
515R97.1Very high94.6Very high147 Ų14771.9 Ų71.956%0.55539%0.393SS*.THydrogen-bonded Turntrans-66.6157.1-179.4-59.6-163.3171.2164.2-6112.9E489 Y517E489-R515 WeakPolarHBondContact OE1-CG 3.36Å; E489-R515 WeakPolarHBondContact OE2-CA 3.49Å; R515-Y517 PolarHBondContact O-N 3.44Å; R515-Y517 VanDerWaalsContact O-N 3.07Å
516D96.9Very high94.4Very high157 Ų15769.7 Ų69.784%0.8439%0.388SS*.THydrogen-bonded Turntrans62.218.4169.5-51.1-69.8000113.7E489E489-D516 PolarHBondContact OE2-N 3.45Å
517Y96.5Very high94.5Very high56 Ų5669 Ų6922%0.2238%0.384CS..  trans-102.4134.2179.8-173-81.7000111.6R515 Y519 V522 Y533R515-Y517 PolarHBondContact O-N 3.44Å; R515-Y517 VanDerWaalsContact O-N 3.07Å; Y517-Y519 VanDerWaalsContact C-N 3.32Å; Y517-Y519 AromaticContact CD1-CD1 3.5Å; Y517-Y519 HydrophobicContact CD1-CD1 3.5Å; Y517-Y519 VanDerWaalsContact CD1-CD1 3.5Å; Y517-Y519 HydrophobicContact CD1-CD2 4.34Å; Y517-Y519 AromaticContact CD1-CE1 3.43Å; Y517-Y519 HydrophobicContact CD1-CE1 3.43Å; Y517-Y519 VanDerWaalsContact CD1-CE1 3.43Å; Y517-Y519 HydrophobicContact CD1-CE2 4.33Å; Y517-Y519 AromaticContact CD1-CG 3.95Å; Y517-Y519 HydrophobicContact CD1-CG 3.95Å; Y517-Y519 AromaticContact CD1-CZ 3.9Å; Y517-Y519 AromaticContact CE1-CD1 3.97Å; Y517-Y519 HydrophobicContact CE1-CD1 3.97Å; Y517-Y519 HydrophobicContact CE1-CE1 4.05Å; Y517-Y519 HydrophobicContact CG-CE1 4.15Å; Y517-Y519 WeakPolarHBondContact O-CD2 3.5Å; Y517-Y519 PolarHBondContact O-N 3.45Å; Y517-V522 HydrophobicContact CE1-CG2 3.78Å; Y517-Y533 AromaticContact CD2-CD1 3.63Å; Y517-Y533 HydrophobicContact CD2-CD1 3.63Å; Y517-Y533 HydrophobicContact CD2-CD2 4.28Å; Y517-Y533 HydrophobicContact CD2-CE1 4.01Å; Y517-Y533 AromaticContact CD2-CG 3.78Å; Y517-Y533 HydrophobicContact CD2-CG 3.78Å; Y517-Y533 HydrophobicContact CE2-CG 4.26Å; Y517-Y533 AromaticContact CG-CD1 3.78Å; Y517-Y533 HydrophobicContact CG-CD1 3.78Å; Y517-Y533 HydrophobicContact CG-CE1 4.2Å; Y517-Y533 HydrophobicContact CG-CG 4.33Å
518N95.6Very high94.3Very high72 Ų7272.3 Ų72.339%0.38539%0.393SS..  trans-76.378-179.1-171.81000113S520N518-S520 PolarHBondContact O-N 3.34Å; N518-S520 PolarHBondContact OD1-N 3.05Å; N518-S520 PolarHBondContact OD1-OG 3Å
519Y95.6Very high94.2Very high6 Ų673.3 Ų73.32%0.02439%0.392CS..G310 helixtrans-65.5-17178.2-70-58.9000115.1V492 Y514 Y517 L521 V522 M523 V530 G532V492-Y519 HydrophobicContact CB-CE2 4.34Å; V492-Y519 HydrophobicContact CG1-CE2 4.38Å; V492-Y519 HydrophobicContact CG2-CD2 4.15Å; V492-Y519 HydrophobicContact CG2-CE1 4.48Å; V492-Y519 HydrophobicContact CG2-CE2 3.99Å; V492-Y519 HydrophobicContact CG2-CG 4.43Å; Y514-Y519 WeakPolarHBondContact CA-OH 3.35Å; Y514-Y519 WeakPolarHBondContact O-CE2 3.4Å; Y514-Y519 PolarHBondContact O-OH 3.34Å; Y514-Y519 VanDerWaalsContact O-OH 3.11Å; Y517-Y519 VanDerWaalsContact C-N 3.32Å; Y517-Y519 AromaticContact CD1-CD1 3.5Å; Y517-Y519 HydrophobicContact CD1-CD1 3.5Å; Y517-Y519 VanDerWaalsContact CD1-CD1 3.5Å; Y517-Y519 HydrophobicContact CD1-CD2 4.34Å; Y517-Y519 AromaticContact CD1-CE1 3.43Å; Y517-Y519 HydrophobicContact CD1-CE1 3.43Å; Y517-Y519 VanDerWaalsContact CD1-CE1 3.43Å; Y517-Y519 HydrophobicContact CD1-CE2 4.33Å; Y517-Y519 AromaticContact CD1-CG 3.95Å; Y517-Y519 HydrophobicContact CD1-CG 3.95Å; Y517-Y519 AromaticContact CD1-CZ 3.9Å; Y517-Y519 AromaticContact CE1-CD1 3.97Å; Y517-Y519 HydrophobicContact CE1-CD1 3.97Å; Y517-Y519 HydrophobicContact CE1-CE1 4.05Å; Y517-Y519 HydrophobicContact CG-CE1 4.15Å; Y517-Y519 WeakPolarHBondContact O-CD2 3.5Å; Y517-Y519 PolarHBondContact O-N 3.45Å; Y519-L521 PolarHBondContact O-N 2.97Å; Y519-L521 VanDerWaalsContact O-N 3.15Å; Y519-V522 PolarHBondContact O-N 2.91Å; Y519-M523 PolarHBondContact O-N 3.04Å; Y519-M523 VanDerWaalsContact O-N 3.09Å; Y519-V530 HydrophobicContact CD1-CG1 3.83Å; Y519-V530 HydrophobicContact CE1-CG1 3.36Å; Y519-G532 WeakPolarHBondContact OH-CA 3.29Å; Y519-G532 PolarHBondContact OH-O 3.17Å
520S94.4Very high94.2Very high62 Ų6273 Ų7343%0.43439%0.391SS..G310 helixtrans-62.1-24.4-179.572.80000113.4N518N518-S520 PolarHBondContact O-N 3.34Å; N518-S520 PolarHBondContact OD1-N 3.05Å; N518-S520 PolarHBondContact OD1-OG 3Å
521L93.8Very high94.2Very high61 Ų6169.2 Ų69.232%0.31937%0.374SS..G310 helixtrans-90.3-7.6176.4-58.1177.1000113.4Y519 L811 L812Y519-L521 PolarHBondContact O-N 2.97Å; Y519-L521 VanDerWaalsContact O-N 3.15Å; L521-L811 HydrophobicContact CB-CD2 3.81Å; L521-L811 WeakPolarHBondContact O-CD2 3.26Å; L521-L812 HydrophobicContact CD1-CD1 4.27Å; L521-L812 HydrophobicContact CD1-CD2 4.23Å; L521-L812 HydrophobicContact CD1-CG 3.8Å
522V94.1Very high94.3Very high11 Ų1160.4 Ų60.47%0.06734%0.344CS..THydrogen-bonded Turntrans-98.9-43.3-180174.80000111.4Y517 Y519 G524 A525 C526 C527 V530 L811Y517-V522 HydrophobicContact CE1-CG2 3.78Å; Y519-V522 PolarHBondContact O-N 2.91Å; V522-G524 PolarHBondContact O-N 2.7Å; V522-A525 PolarHBondContact O-N 3.27Å; V522-A525 VanDerWaalsContact O-N 3.12Å; V522-C526 HydrophobicContact CG1-CB 4.3Å; V522-C526 PolarHBondContact O-N 3.22Å; V522-C527 HydrophobicContact CG1-CB 3.6Å; V522-C527 PolarHBondContact O-N 3Å; V522-V530 HydrophobicContact CG1-CG2 4.06Å; V522-L811 HydrophobicContact CG2-CD1 4.47Å; V522-L811 HydrophobicContact CG2-CD2 3.73Å
523M88.4Confident94.3Very high46 Ų4662.8 Ų62.823%0.22735%0.351CS..THydrogen-bonded Turntrans-63.1124.9-174.1-66.5-45.4-59.300111.9E482 Y519 A525 V530E482-M523 HydrophobicContact CB-CE 4.07Å; E482-M523 HydrophobicContact CB-CG 4.27Å; E482-M523 HydrophobicContact CB-SD 4.35Å; E482-M523 HydrophobicContact CG-CE 3.99Å; E482-M523 HydrophobicContact CG-SD 4.04Å; E482-M523 WeakPolarHBondContact OE1-CE 3.15Å; Y519-M523 PolarHBondContact O-N 3.04Å; Y519-M523 VanDerWaalsContact O-N 3.09Å; M523-A525 PolarHBondContact O-N 2.76Å; M523-V530 HydrophobicContact SD-CG2 3.96Å
524G86.4Confident94.3Very high78 Ų7867.3 Ų67.380%0.80437%0.371SS*.THydrogen-bonded Turntrans69.28.9-178.600000115.1V522V522-G524 PolarHBondContact O-N 2.7Å
525A88Confident94.3Very high58 Ų5869.5 Ų69.548%0.47939%0.389SS..THydrogen-bonded Turntrans-133.3-35.7-175.400000114.5V522 M523V522-A525 PolarHBondContact O-N 3.27Å; V522-A525 VanDerWaalsContact O-N 3.12Å; M523-A525 PolarHBondContact O-N 2.76Å
526C90.6Very high94.4Very high49 Ų4965.6 Ų65.633%0.33138%0.379SS..THydrogen-bonded Turntrans-135.9-27.4-172.2-65.70000115.1V522V522-C526 HydrophobicContact CG1-CB 4.3Å; V522-C526 PolarHBondContact O-N 3.22Å
527C94.3Very high94.4Very high58 Ų5862 Ų6239%0.39236%0.363SS..  trans-161.4147.5-179.6-162.80000112.9V522 V530V522-C527 HydrophobicContact CG1-CB 3.6Å; V522-C527 PolarHBondContact O-N 3Å; C527-V530 HydrophobicContact CB-CG2 4.14Å
528E91.6Very high94.5Very high132 Ų13263.3 Ų63.362%0.61738%0.377SS*.SBendtrans-114.8161.5175-54.470.6-144.200111.1V530E528-V530 PolarHBondContact O-N 3.47Å
529N92.9Very high94.7Very high95 Ų9561.1 Ų61.151%0.50837%0.372SS..SBendtrans55.131.7179.9-63.6-55.6000114.5R495 I531R495-N529 WeakPolarHBondContact CD-O 3.33Å; R495-N529 VanDerWaalsContact NH1-C 3.32Å; N529-I531 PolarHBondContact O-N 3.29Å
530V95.8Very high94.8Very high9 Ų964.5 Ų64.56%0.05539%0.393CS..  trans-52.5131.9-178-177.70000112.2V492 R495 Y519 V522 M523 C527 E528V492-V530 HydrophobicContact CG2-CB 4.12Å; V492-V530 HydrophobicContact CG2-CG1 3.89Å; R495-V530 VanDerWaalsContact NH1-N 3.16Å; R495-V530 PolarHBondContact NH1-O 3.22Å; Y519-V530 HydrophobicContact CD1-CG1 3.83Å; Y519-V530 HydrophobicContact CE1-CG1 3.36Å; V522-V530 HydrophobicContact CG1-CG2 4.06Å; M523-V530 HydrophobicContact SD-CG2 3.96Å; C527-V530 HydrophobicContact CB-CG2 4.14Å; E528-V530 PolarHBondContact O-N 3.47Å
531I96.6Very high95Very high53 Ų5361.6 Ų61.627%0.27237%0.372SS..  trans-125.77.6178.754.1166000113.1R495 R496 L499 L509 L512 N529R495-I531 HydrophobicContact CG-CG2 3.93Å; R496-I531 WeakPolarHBondContact CD-O 3.38Å; R496-I531 HydrophobicContact CG-CB 4.12Å; R496-I531 VanDerWaalsContact CG-O 3.25Å; R496-I531 WeakPolarHBondContact CG-O 3.48Å; R496-I531 PolarHBondContact NH1-O 3.38Å; L499-I531 HydrophobicContact CD2-CD1 3.87Å; L499-I531 HydrophobicContact CD2-CG2 4.01Å; L509-I531 HydrophobicContact CD2-CD1 4.17Å; L512-I531 HydrophobicContact CD2-CD1 3.89Å; L512-I531 HydrophobicContact CD2-CG1 3.99Å; N529-I531 PolarHBondContact O-N 3.29Å
532G97.2Very high95.2Very high14 Ų1459.4 Ų59.414%0.14437%0.365CS..  trans150.6-160.6-17200000111.7P513 Y519P513-G532 CarbonylContact O-C 3.32Å; P513-G532 WeakPolarHBondContact O-CA 3.32Å; Y519-G532 WeakPolarHBondContact OH-CA 3.29Å; Y519-G532 PolarHBondContact OH-O 3.17Å
533Y98.1Very high95.4Very high82 Ų8261.2 Ų61.232%0.32238%0.377SS..  trans-138.9162.2168.261.4-88.3000110L512 P513 Y517 P535L512-Y533 WeakPolarHBondContact CD1-O 3.25Å; P513-Y533 HydrophobicContact CB-CE1 3.91Å; P513-Y533 HydrophobicContact CB-CE2 4.14Å; P513-Y533 WeakPolarHBondContact CD-O 3.33Å; P513-Y533 HydrophobicContact CG-CD2 4.03Å; P513-Y533 HydrophobicContact CG-CE1 4.2Å; P513-Y533 HydrophobicContact CG-CE2 3.71Å; P513-Y533 HydrophobicContact CG-CG 4.42Å; P513-Y533 WeakPolarHBondContact CG-O 3.15Å; P513-Y533 PolarHBondContact O-N 3.02Å; Y517-Y533 AromaticContact CD2-CD1 3.63Å; Y517-Y533 HydrophobicContact CD2-CD1 3.63Å; Y517-Y533 HydrophobicContact CD2-CD2 4.28Å; Y517-Y533 HydrophobicContact CD2-CE1 4.01Å; Y517-Y533 AromaticContact CD2-CG 3.78Å; Y517-Y533 HydrophobicContact CD2-CG 3.78Å; Y517-Y533 HydrophobicContact CE2-CG 4.26Å; Y517-Y533 AromaticContact CG-CD1 3.78Å; Y517-Y533 HydrophobicContact CG-CD1 3.78Å; Y517-Y533 HydrophobicContact CG-CE1 4.2Å; Y517-Y533 HydrophobicContact CG-CG 4.33Å; Y533-P535 HydrophobicContact CD2-CG 4.28Å; Y533-P535 HydrophobicContact CE2-CG 4.06Å
534M98.6Very high95.9Very high133 Ų13359 Ų5966%0.65537%0.366SS*.  trans-111.2109.9179.9-173.957.663.900110.3L512 I536L512-M534 HydrophobicContact CD1-CE 3.78Å; M534-I536 HydrophobicContact CG-CD1 3.94Å; M534-I536 PolarHBondContact O-N 3.06Å
535P97.9Very high96.5Very high80 Ų8056.4 Ų56.452%0.51934%0.335SS..  trans-67.3120.8173.5-17.631.1000110.9P513 Y533P513-P535 HydrophobicContact CG-CG 3.74Å; Y533-P535 HydrophobicContact CD2-CG 4.28Å; Y533-P535 HydrophobicContact CE2-CG 4.06Å
536I98.5Very high97Very high66 Ų6653.7 Ų53.734%0.33831%0.313SS..  trans-107.3128.8170.1-53.1-59000107.8M534 V538 A556 I762M534-I536 HydrophobicContact CG-CD1 3.94Å; M534-I536 PolarHBondContact O-N 3.06Å; I536-V538 PolarHBondContact O-N 3.36Å; I536-A556 HydrophobicContact CB-CB 4.47Å; I536-A556 HydrophobicContact CG2-CB 3.91Å; I536-I762 HydrophobicContact CG1-CG2 4.34Å; I536-I762 HydrophobicContact CG2-CG2 4.48Å
537P98.5Very high97.4Very high80 Ų8053.1 Ų53.152%0.51931%0.306SS..  trans-60.3128.4177.2-22.133.1000111.4A556 T557 T558P537-A556 CarbonylContact O-C 3.2Å; P537-A556 VanDerWaalsContact O-CA 3.32Å; P537-A556 WeakPolarHBondContact O-CA 3.39Å; P537-T557 PolarHBondContact O-N 2.97Å; P537-T558 HydrophobicContact CG-CG2 4.46Å
538V98.7Very high97.5Very high85 Ų8554.5 Ų54.552%0.51533%0.331SS..EExtended strand (participates in β ladder)trans-105.4114.4176.1-171.50000109.1I536 P554 M555 A556I536-V538 PolarHBondContact O-N 3.36Å; V538-P554 HydrophobicContact CG1-CB 4.15Å; V538-M555 WeakPolarHBondContact CA-O 3.5Å; V538-A556 HydrophobicContact CG2-CB 4.08Å
539G98.4Very high97.8Very high26 Ų2653.5 Ų53.527%0.26832%0.324SS..EExtended strand (participates in β ladder)trans-96.3174167.400000111.8M555G539-M555 PolarHBondContact N-O 2.92Å; G539-M555 PolarHBondContact O-N 3.47Å
540V98.7Very high98.1Very high77 Ų7755.2 Ų55.247%0.46733%0.329SS..EExtended strand (participates in β ladder)trans-127140.817464.30000110.5Q552 V553 V563 M820V540-Q552 HydrophobicContact CG2-CB 3.97Å; V540-V553 WeakPolarHBondContact CA-O 3.14Å; V540-V563 VanDerWaalsContact O-CG1 3.26Å; V540-V563 WeakPolarHBondContact O-CG1 3.47Å; V540-M820 HydrophobicContact CG2-CE 4.14Å
541A98.8Very high98.3Very high0 Ų055.5 Ų55.50%033%0.33CS..EExtended strand (participates in β ladder)trans-125.2126.717200000110V553 M555 V563 T566 N567A541-V553 PolarHBondContact N-O 3.11Å; A541-V553 WeakPolarHBondContact O-CB 3.42Å; A541-V553 PolarHBondContact O-N 3.04Å; A541-M555 HydrophobicContact CB-SD 3.94Å; A541-V563 HydrophobicContact CB-CG1 4.33Å; A541-T566 HydrophobicContact CB-CG2 4.05Å; A541-N567 WeakPolarHBondContact CA-OD1 3.44Å; A541-N567 HydrophobicContact CB-CB 4.01Å
542G96.9Very high98.4Very high16 Ų1656.9 Ų56.917%0.16534%0.335CS..EExtended strand (participates in β ladder)trans166.7-175.7179.400000115.5N567G542-N567 PolarHBondContact N-OD1 3.26Å; G542-N567 PolarHBondContact O-OD1 3.29Å; G542-N567 VanDerWaalsContact O-OD1 3.11Å
543P98.4Very high98.4Very high49 Ų4956.2 Ų56.232%0.31833%0.328SS..EExtended strand (participates in β ladder)cis-67.4132.6-5.327.9-33.6000111.9C545 E550 F551P543-C545 PolarHBondContact O-N 3.41Å; P543-E550 HydrophobicContact CB-CB 3.89Å; P543-E550 HydrophobicContact CB-CG 3.98Å; P543-E550 VanDerWaalsContact CB-OE2 3.26Å; P543-E550 WeakPolarHBondContact CB-OE2 3.18Å; P543-F551 WeakPolarHBondContact CA-O 3.11Å
544L98.9Very high98.5Very high0 Ų052.3 Ų52.30%031%0.313CS..EExtended strand (participates in β ladder)trans-82.7107.316417466.9000107.9L546 E550 F551 V553 I573 T845L544-L546 HydrophobicContact CD2-CD2 4.31Å; L544-L546 HydrophobicContact CG-CB 4.23Å; L544-L546 PolarHBondContact O-N 3.03Å; L544-E550 WeakPolarHBondContact O-CA 3.38Å; L544-F551 HydrophobicContact CB-CB 4.45Å; L544-F551 PolarHBondContact N-O 3.49Å; L544-F551 PolarHBondContact O-N 3.21Å; L544-V553 HydrophobicContact CB-CG2 4.2Å; L544-V553 HydrophobicContact CD2-CG2 4.22Å; L544-I573 HydrophobicContact CD1-CD1 4.2Å; L544-T845 WeakPolarHBondContact CD2-OG1 3.5Å
545C98.8Very high98.5Very high23 Ų2346 Ų4616%0.15528%0.281CS..EExtended strand (participates in β ladder)trans-78.7108.9175.4-580000109.3P543 K549 G578 A579P543-C545 PolarHBondContact O-N 3.41Å; C545-K549 CarbonylContact C-O 3.53Å; C545-K549 WeakPolarHBondContact CA-O 3.11Å; C545-G578 WeakPolarHBondContact O-CA 3.32Å; C545-A579 PolarHBondContact O-N 3.45Å
546L98.8Very high98.5Very high1 Ų142.3 Ų42.31%0.00526%0.258CS..EExtended strand (participates in β ladder)trans-145.6129.3-171.4179.367.7000111.6L544 G548 K549 F551 A579 R840 I841L544-L546 HydrophobicContact CD2-CD2 4.31Å; L544-L546 HydrophobicContact CG-CB 4.23Å; L544-L546 PolarHBondContact O-N 3.03Å; L546-G548 PolarHBondContact O-N 3.28Å; L546-K549 PolarHBondContact N-O 3.37Å; L546-K549 PolarHBondContact O-N 2.89Å; L546-F551 HydrophobicContact CB-CD2 4.14Å; L546-F551 HydrophobicContact CB-CE2 4.1Å; L546-F551 HydrophobicContact CD2-CE2 4.34Å; L546-A579 CarbonylContact C-O 3.6Å; L546-A579 WeakPolarHBondContact CA-O 3.44Å; L546-A579 HydrophobicContact CD1-CB 3.83Å; L546-R840 HydrophobicContact CD2-CB 4.48Å; L546-R840 WeakPolarHBondContact CD2-O 3.25Å; L546-I841 HydrophobicContact CD2-CG1 4.38Å
547D98.4Very high98.5Very high36 Ų3640.5 Ų40.519%0.19325%0.25CC..THydrogen-bonded Turntrans5037.9-179.4-68-40.4000113.4K549 A579 S581 R582 R840D547-K549 VanDerWaalsContact C-N 3.3Å; D547-K549 PolarHBondContact O-N 3.07Å; D547-A579 PolarHBondContact N-O 3.13Å; D547-S581 PolarHBondContact OD1-N 3.22Å; D547-S581 PolarHBondContact OD2-OG 3.38Å; D547-R582 IonicContact OD1-CZ 3.95Å; D547-R582 IonicContact OD1-NH1 2.77Å; D547-R582 PolarHBondContact OD1-NH1 3.49Å; D547-R840 IonicContact OD2-CZ 3.92Å; D547-R840 IonicContact OD2-NH1 2.81Å; D547-R840 PolarHBondContact OD2-NH1 2.94Å
548G97.5Very high98.4Very high88 Ų8842.1 Ų42.191%0.90726%0.259SS*.THydrogen-bonded Turntrans74.213.1-178.300000115.4L546L546-G548 PolarHBondContact O-N 3.28Å
549K98.2Very high98.2Very high110 Ų11041 Ų4148%0.47825%0.248SC..EExtended strand (participates in β ladder)trans-121164.8176-59.7176.6-177.2178.50110.9C545 L546 D547 F551C545-K549 CarbonylContact C-O 3.53Å; C545-K549 WeakPolarHBondContact CA-O 3.11Å; L546-K549 PolarHBondContact N-O 3.37Å; L546-K549 PolarHBondContact O-N 2.89Å; D547-K549 VanDerWaalsContact C-N 3.3Å; D547-K549 PolarHBondContact O-N 3.07Å; K549-F551 HydrophobicContact CB-CE2 3.78Å; K549-F551 HydrophobicContact CB-CZ 3.91Å; K549-F551 HydrophobicContact CD-CE2 4.37Å; K549-F551 HydrophobicContact CD-CZ 3.77Å
550E98.6Very high97.7Very high131 Ų13140.5 Ų40.561%0.61224%0.243SC*.EExtended strand (participates in β ladder)trans-112.9139.3169.2-67.9-167.6174.800111.2P543 L544P543-E550 HydrophobicContact CB-CB 3.89Å; P543-E550 HydrophobicContact CB-CG 3.98Å; P543-E550 VanDerWaalsContact CB-OE2 3.26Å; P543-E550 WeakPolarHBondContact CB-OE2 3.18Å; L544-E550 WeakPolarHBondContact O-CA 3.38Å
551F98.8Very high97.4Very high15 Ų1537.8 Ų37.87%0.06623%0.227CC..EExtended strand (participates in β ladder)trans-126.6137177.5-60.4-81.3000111.6P543 L544 L546 K549 V553 L821 Q837 I841P543-F551 WeakPolarHBondContact CA-O 3.11Å; L544-F551 HydrophobicContact CB-CB 4.45Å; L544-F551 PolarHBondContact N-O 3.49Å; L544-F551 PolarHBondContact O-N 3.21Å; L546-F551 HydrophobicContact CB-CD2 4.14Å; L546-F551 HydrophobicContact CB-CE2 4.1Å; L546-F551 HydrophobicContact CD2-CE2 4.34Å; K549-F551 HydrophobicContact CB-CE2 3.78Å; K549-F551 HydrophobicContact CB-CZ 3.91Å; K549-F551 HydrophobicContact CD-CE2 4.37Å; K549-F551 HydrophobicContact CD-CZ 3.77Å; F551-V553 HydrophobicContact CB-CG2 4.29Å; F551-L821 HydrophobicContact CB-CD2 4.07Å; F551-L821 HydrophobicContact CD1-CD2 4.31Å; F551-Q837 HydrophobicContact CZ-CG 4.49Å; F551-I841 HydrophobicContact CD1-CD1 3.58Å; F551-I841 HydrophobicContact CD1-CG1 3.97Å; F551-I841 HydrophobicContact CD2-CG1 4.05Å; F551-I841 HydrophobicContact CE1-CD1 3.53Å; F551-I841 HydrophobicContact CE1-CG1 4.01Å; F551-I841 HydrophobicContact CE2-CD1 4.5Å; F551-I841 HydrophobicContact CE2-CG1 4.08Å; F551-I841 HydrophobicContact CG-CD1 4.11Å; F551-I841 HydrophobicContact CG-CG1 3.98Å; F551-I841 HydrophobicContact CZ-CD1 4.01Å; F551-I841 HydrophobicContact CZ-CG1 4.05Å
552Q98.8Very high97.3Very high82 Ų8238.2 Ų38.238%0.38323%0.229SC..EExtended strand (participates in β ladder)trans-100.1102.9170.7-63.2-62-15.100108.2V540 P554V540-Q552 HydrophobicContact CG2-CB 3.97Å; Q552-P554 WeakPolarHBondContact O-CD 3.46Å
553V98.9Very high97.4Very high0 Ų038.7 Ų38.70%023%0.229CC..EExtended strand (participates in β ladder)trans-90116.5-164.2-171.10000111V540 A541 L544 F551 I760 L821 I841 T845V540-V553 WeakPolarHBondContact CA-O 3.14Å; A541-V553 PolarHBondContact N-O 3.11Å; A541-V553 WeakPolarHBondContact O-CB 3.42Å; A541-V553 PolarHBondContact O-N 3.04Å; L544-V553 HydrophobicContact CB-CG2 4.2Å; L544-V553 HydrophobicContact CD2-CG2 4.22Å; F551-V553 HydrophobicContact CB-CG2 4.29Å; V553-I760 HydrophobicContact CG1-CD1 3.85Å; V553-I760 HydrophobicContact CG1-CG1 3.91Å; V553-L821 HydrophobicContact CG2-CD2 4.35Å; V553-I841 HydrophobicContact CG1-CG2 4.45Å; V553-I841 HydrophobicContact CG2-CG2 4.08Å; V553-T845 HydrophobicContact CB-CG2 4.48Å; V553-T845 HydrophobicContact CG1-CG2 4.09Å
554P98.8Very high97.3Very high0 Ų039.5 Ų39.50%024%0.239CC..EExtended strand (participates in β ladder)trans-75.8136.217631.4-33.6000110.9V538 Q552 A763 C817 M820V538-P554 HydrophobicContact CG1-CB 4.15Å; Q552-P554 WeakPolarHBondContact O-CD 3.46Å; P554-A763 HydrophobicContact CB-CB 4.17Å; P554-A763 HydrophobicContact CG-CB 4.44Å; P554-C817 HydrophobicContact CB-CB 4.14Å; P554-C817 HydrophobicContact CG-CB 3.77Å; P554-M820 HydrophobicContact CB-CE 4.04Å; P554-M820 HydrophobicContact CB-SD 4.12Å; P554-M820 HydrophobicContact CG-CE 4.45Å; P554-M820 HydrophobicContact CG-SD 4.41Å
555M98.9Very high97.2Very high0 Ų040.7 Ų40.70%025%0.248CC..EExtended strand (participates in β ladder)trans-135.4106.7-175.6-65.6-173.277.600110.3V538 G539 A541 L562 V563 T566 I756 A759V538-M555 WeakPolarHBondContact CA-O 3.5Å; G539-M555 PolarHBondContact N-O 2.92Å; G539-M555 PolarHBondContact O-N 3.47Å; A541-M555 HydrophobicContact CB-SD 3.94Å; M555-L562 HydrophobicContact CE-CD2 4.38Å; M555-L562 HydrophobicContact CE-CG 4.12Å; M555-V563 HydrophobicContact CB-CG2 3.95Å; M555-V563 HydrophobicContact SD-CG1 4.36Å; M555-V563 HydrophobicContact SD-CG2 4.38Å; M555-T566 HydrophobicContact CE-CG2 4.13Å; M555-T566 HydrophobicContact SD-CG2 3.79Å; M555-I756 HydrophobicContact CE-CD1 3.82Å; M555-I756 HydrophobicContact CE-CG2 4.49Å; M555-A759 HydrophobicContact CB-CB 4.04Å; M555-A759 HydrophobicContact CE-CB 3.85Å; M555-A759 HydrophobicContact CG-CB 4.49Å
556A98.8Very high97.2Very high3 Ų339.6 Ų39.63%0.02524%0.24CC..EExtended strand (participates in β ladder)trans-88.3110.3177.500000110.2I536 P537 V538 A759 I762 A763I536-A556 HydrophobicContact CB-CB 4.47Å; I536-A556 HydrophobicContact CG2-CB 3.91Å; P537-A556 CarbonylContact O-C 3.2Å; P537-A556 VanDerWaalsContact O-CA 3.32Å; P537-A556 WeakPolarHBondContact O-CA 3.39Å; V538-A556 HydrophobicContact CG2-CB 4.08Å; A556-A759 PolarHBondContact N-O 3.43Å; A556-A759 WeakPolarHBondContact O-CA 3.28Å; A556-I762 HydrophobicContact CB-CB 3.94Å; A556-I762 HydrophobicContact CB-CG2 3.63Å; A556-A763 HydrophobicContact CB-CB 3.86Å
557T98.3Very high97.2Very high28 Ų2842.5 Ų42.517%0.17226%0.256CS..  trans-156.3154-175.8-172.20000113P537 E559 L562 V563P537-T557 PolarHBondContact O-N 2.97Å; T557-E559 PolarHBondContact OG1-N 3.1Å; T557-L562 HydrophobicContact CG2-CB 4.4Å; T557-L562 HydrophobicContact CG2-CD2 4.12Å; T557-V563 HydrophobicContact CG2-CG2 3.75Å
558T96.6Very high97.2Very high115 Ų11543.8 Ų43.871%0.70626%0.258SS*.  trans-104.5-1.916750.80000112.7P537 G560P537-T558 HydrophobicContact CG-CG2 4.46Å; T558-G560 PolarHBondContact O-N 3.33Å
559E93.3Very high97.2Very high62 Ų6239.6 Ų39.629%0.2922%0.215SC..  trans-78.6114178.4-171.2-174.3-159.500111.6T557 L562 N755 H866T557-E559 PolarHBondContact OG1-N 3.1Å; E559-L562 HydrophobicContact CB-CB 4.21Å; E559-L562 HydrophobicContact CG-CB 4.4Å; E559-L562 PolarHBondContact O-N 3.2Å; E559-N755 PolarHBondContact OE2-ND2 2.92Å; E559-H866 IonicContact OE1-CE1 3.94Å
560G88.3Confident97.3Very high15 Ų1534.4 Ų34.416%0.15519%0.192CC..THydrogen-bonded Turntrans-62.3147.5171.900000112.5T558 L562 H869 N870T558-G560 PolarHBondContact O-N 3.33Å; G560-L562 VanDerWaalsContact C-N 3.28Å; G560-L562 PolarHBondContact O-N 3.43Å; G560-H869 WeakPolarHBondContact CA-O 3.39Å; G560-N870 VanDerWaalsContact CA-CG 3.49Å; G560-N870 VanDerWaalsContact N-CG 3.32Å; G560-N870 PolarHBondContact N-ND2 2.05Å; G560-N870 PolarHBondContact N-OD1 3.24Å; G560-N870 VanDerWaalsContact N-OD1 3.14Å; G560-N870 PolarHBondContact O-ND2 2.66Å
561C92.9Very high97.3Very high20 Ų2035.4 Ų35.414%0.13519%0.19CC..THydrogen-bonded Turntrans74.7-27.3-168-49.50000116.9V563 A564 S565 S865C561-V563 PolarHBondContact O-N 2.88Å; C561-A564 PolarHBondContact O-N 3.41Å; C561-S565 WeakPolarHBondContact O-CB 3.2Å; C561-S565 PolarHBondContact O-N 2.87Å; C561-S865 VanDerWaalsContact SG-C 3.53Å; C561-S865 PolarHBondContact SG-O 3Å
562L96.5Very high97.3Very high8 Ų834.7 Ų34.74%0.04219%0.187CC..Hα-helixtrans-56.9-53.9-166.3-178.660000113.4M555 T557 E559 G560 A564 S565 T566 N755 I756 A759M555-L562 HydrophobicContact CE-CD2 4.38Å; M555-L562 HydrophobicContact CE-CG 4.12Å; T557-L562 HydrophobicContact CG2-CB 4.4Å; T557-L562 HydrophobicContact CG2-CD2 4.12Å; E559-L562 HydrophobicContact CB-CB 4.21Å; E559-L562 HydrophobicContact CG-CB 4.4Å; E559-L562 PolarHBondContact O-N 3.2Å; G560-L562 VanDerWaalsContact C-N 3.28Å; G560-L562 PolarHBondContact O-N 3.43Å; L562-A564 PolarHBondContact O-N 3.15Å; L562-S565 PolarHBondContact O-N 3.02Å; L562-T566 WeakPolarHBondContact O-CB 3.45Å; L562-T566 PolarHBondContact O-N 2.83Å; L562-T566 PolarHBondContact O-OG1 2.69Å; L562-N755 HydrophobicContact CD1-CB 3.76Å; L562-N755 HydrophobicContact CD2-CB 4Å; L562-I756 HydrophobicContact CD1-CD1 3.92Å; L562-A759 HydrophobicContact CD2-CB 4.18Å
563V98.1Very high97.3Very high27 Ų2730.8 Ų30.816%0.16417%0.169CC..Hα-helixtrans-63.8-42.5179.9-173.30000111.3V540 A541 M555 T557 C561 S565 T566 N567V540-V563 VanDerWaalsContact O-CG1 3.26Å; V540-V563 WeakPolarHBondContact O-CG1 3.47Å; A541-V563 HydrophobicContact CB-CG1 4.33Å; M555-V563 HydrophobicContact CB-CG2 3.95Å; M555-V563 HydrophobicContact SD-CG1 4.36Å; M555-V563 HydrophobicContact SD-CG2 4.38Å; T557-V563 HydrophobicContact CG2-CG2 3.75Å; C561-V563 PolarHBondContact O-N 2.88Å; V563-S565 PolarHBondContact O-N 2.92Å; V563-T566 PolarHBondContact O-N 3.25Å; V563-N567 VanDerWaalsContact O-CB 3.28Å; V563-N567 WeakPolarHBondContact O-CB 3.47Å; V563-N567 PolarHBondContact O-N 2.91Å
564A96.3Very high97.3Very high65 Ų6532.2 Ų32.254%0.53718%0.183SC..Hα-helixtrans-65.4-38.3179.900000112.8C561 L562 R568C561-A564 PolarHBondContact O-N 3.41Å; L562-A564 PolarHBondContact O-N 3.15Å; A564-R568 WeakPolarHBondContact O-CB 3.22Å; A564-R568 PolarHBondContact O-N 3.42Å
565S97.5Very high97.2Very high25 Ų2535.7 Ų35.718%0.17520%0.201CC..Hα-helixtrans-66.3-45.6174.2-166.30000110.9C561 L562 V563 N567 R568 G569 S852C561-S565 WeakPolarHBondContact O-CB 3.2Å; C561-S565 PolarHBondContact O-N 2.87Å; L562-S565 PolarHBondContact O-N 3.02Å; V563-S565 PolarHBondContact O-N 2.92Å; S565-N567 VanDerWaalsContact C-N 3.34Å; S565-N567 PolarHBondContact O-N 3.46Å; S565-R568 WeakPolarHBondContact O-CB 3.35Å; S565-R568 PolarHBondContact O-N 2.94Å; S565-G569 PolarHBondContact O-N 2.77Å; S565-S852 WeakPolarHBondContact O-CB 3.38Å; S565-S852 PolarHBondContact O-OG 3.16Å; S565-S852 VanDerWaalsContact O-OG 3.12Å; S565-S852 VanDerWaalsContact OG-CB 3.29Å; S565-S852 WeakPolarHBondContact OG-CB 3.49Å; S565-S852 PolarHBondContact OG-OG 3Å
566T98.8Very high97.2Very high0 Ų037 Ų370%022%0.215CC..Hα-helixtrans-61.1-43.8177.2-500000111.4A541 M555 L562 V563 R568 G569 C570 I756 T845A541-T566 HydrophobicContact CB-CG2 4.05Å; M555-T566 HydrophobicContact CE-CG2 4.13Å; M555-T566 HydrophobicContact SD-CG2 3.79Å; L562-T566 WeakPolarHBondContact O-CB 3.45Å; L562-T566 PolarHBondContact O-N 2.83Å; L562-T566 PolarHBondContact O-OG1 2.69Å; V563-T566 PolarHBondContact O-N 3.25Å; T566-R568 VanDerWaalsContact C-N 3.35Å; T566-R568 PolarHBondContact O-N 3.06Å; T566-G569 WeakPolarHBondContact O-CA 3.39Å; T566-G569 PolarHBondContact O-N 3.15Å; T566-C570 PolarHBondContact O-N 2.96Å; T566-C570 PolarHBondContact O-SG 3.08Å; T566-C570 VanDerWaalsContact O-SG 3.35Å; T566-I756 HydrophobicContact CG2-CD1 3.98Å; T566-I756 WeakPolarHBondContact OG1-CD1 3.5Å; T566-T845 HydrophobicContact CG2-CG2 3.46Å; T566-T845 VanDerWaalsContact CG2-CG2 3.46Å
567N98.7Very high97.1Very high62 Ų6240.4 Ų40.433%0.33225%0.251SS..Hα-helixtrans-61.5-39.4176.2-167.769.3000112.8A541 G542 V563 S565 G569 C570 R571A541-N567 WeakPolarHBondContact CA-OD1 3.44Å; A541-N567 HydrophobicContact CB-CB 4.01Å; G542-N567 PolarHBondContact N-OD1 3.26Å; G542-N567 PolarHBondContact O-OD1 3.29Å; G542-N567 VanDerWaalsContact O-OD1 3.11Å; V563-N567 VanDerWaalsContact O-CB 3.28Å; V563-N567 WeakPolarHBondContact O-CB 3.47Å; V563-N567 PolarHBondContact O-N 2.91Å; S565-N567 VanDerWaalsContact C-N 3.34Å; S565-N567 PolarHBondContact O-N 3.46Å; N567-G569 VanDerWaalsContact C-N 3.3Å; N567-G569 PolarHBondContact O-N 3.5Å; N567-C570 PolarHBondContact O-N 3.22Å; N567-R571 PolarHBondContact O-N 3.35Å
568R98.5Very high97.1Very high64 Ų6439.8 Ų39.824%0.24225%0.25CS..Hα-helixtrans-63.5-35.8172.4175.4178.6176.8-120.610.7112.2A564 S565 T566 R571 A572 V720 L721 S852A564-R568 WeakPolarHBondContact O-CB 3.22Å; A564-R568 PolarHBondContact O-N 3.42Å; S565-R568 WeakPolarHBondContact O-CB 3.35Å; S565-R568 PolarHBondContact O-N 2.94Å; T566-R568 VanDerWaalsContact C-N 3.35Å; T566-R568 PolarHBondContact O-N 3.06Å; R568-R571 PolarHBondContact O-N 2.58Å; R568-A572 PolarHBondContact O-N 2.97Å; R568-A572 VanDerWaalsContact O-N 3.13Å; R568-V720 HydrophobicContact CG-CG1 4.08Å; R568-V720 PolarHBondContact NE-O 3.19Å; R568-V720 PolarHBondContact NH2-O 3.49Å; R568-L721 VanDerWaalsContact NH2-CA 3.33Å; R568-L721 PolarHBondContact NH2-O 3.44Å; R568-S852 PolarHBondContact NH1-O 3.05Å; R568-S852 PolarHBondContact NH1-OG 2.96Å; R568-S852 VanDerWaalsContact NH1-OG 3.12Å
569G98.7Very high97.2Very high0 Ų034.6 Ų34.60%022%0.218CC..Hα-helixtrans-62.1-49.9169.800000113S565 T566 N567 R571 A572 I573 A848S565-G569 PolarHBondContact O-N 2.77Å; T566-G569 WeakPolarHBondContact O-CA 3.39Å; T566-G569 PolarHBondContact O-N 3.15Å; N567-G569 VanDerWaalsContact C-N 3.3Å; N567-G569 PolarHBondContact O-N 3.5Å; G569-R571 VanDerWaalsContact C-N 3.25Å; G569-R571 PolarHBondContact O-N 2.78Å; G569-A572 WeakPolarHBondContact O-CB 3.44Å; G569-A572 PolarHBondContact O-N 2.88Å; G569-I573 PolarHBondContact O-N 3.21Å; G569-A848 VanDerWaalsContact CA-O 3.26Å; G569-A848 WeakPolarHBondContact CA-O 3.26Å
570C98.8Very high97.5Very high0 Ų033.9 Ų33.90%022%0.221CC..Hα-helixtrans-56.7-41.3176-61.60000111.3T566 N567 A572 I573 G574T566-C570 PolarHBondContact O-N 2.96Å; T566-C570 PolarHBondContact O-SG 3.08Å; T566-C570 VanDerWaalsContact O-SG 3.35Å; N567-C570 PolarHBondContact O-N 3.22Å; C570-A572 VanDerWaalsContact C-N 3.35Å; C570-A572 PolarHBondContact O-N 3.2Å; C570-I573 PolarHBondContact O-N 2.91Å; C570-G574 PolarHBondContact O-N 2.99Å
571R98.7Very high98Very high153 Ų15333.3 Ų33.358%0.57721%0.214SC*.Hα-helixtrans-63.3-35.5175.1-178.156.4176.6174.31.2113.4N567 R568 G569 L575 V720N567-R571 PolarHBondContact O-N 3.35Å; R568-R571 PolarHBondContact O-N 2.58Å; G569-R571 VanDerWaalsContact C-N 3.25Å; G569-R571 PolarHBondContact O-N 2.78Å; R571-L575 HydrophobicContact CG-CD1 4.29Å; R571-L575 WeakPolarHBondContact O-CB 3.4Å; R571-L575 WeakPolarHBondContact O-CG 3.43Å; R571-L575 PolarHBondContact O-N 3.39Å; R571-V720 HydrophobicContact CG-CG1 4.46Å
572A98.7Very high98.3Very high0 Ų038.8 Ų38.80%023%0.232CC..Hα-helixtrans-68.7-45.4174.600000111.4R568 G569 C570 L575 G576 I712 V716 V720 L721R568-A572 PolarHBondContact O-N 2.97Å; R568-A572 VanDerWaalsContact O-N 3.13Å; G569-A572 WeakPolarHBondContact O-CB 3.44Å; G569-A572 PolarHBondContact O-N 2.88Å; C570-A572 VanDerWaalsContact C-N 3.35Å; C570-A572 PolarHBondContact O-N 3.2Å; A572-L575 PolarHBondContact O-N 2.91Å; A572-G576 PolarHBondContact O-N 3.4Å; A572-G576 VanDerWaalsContact O-N 3.13Å; A572-I712 HydrophobicContact CB-CG2 4.29Å; A572-V716 HydrophobicContact CB-CG1 4.04Å; A572-V720 HydrophobicContact CB-CG1 4.26Å; A572-L721 HydrophobicContact CB-CD1 4.32Å; A572-L721 HydrophobicContact CB-CD2 3.95Å; A572-L721 HydrophobicContact CB-CG 4.11Å
573I98.8Very high98.4Very high0 Ų040.3 Ų40.30%024%0.242CC..Hα-helixtrans-60.6-48.5177.1-69.8170.7000111.3L544 G569 C570 L575 G576 G577 G578 A579 I712 M847 A848 L851L544-I573 HydrophobicContact CD1-CD1 4.2Å; G569-I573 PolarHBondContact O-N 3.21Å; C570-I573 PolarHBondContact O-N 2.91Å; I573-L575 VanDerWaalsContact C-N 3.3Å; I573-L575 PolarHBondContact O-N 3.17Å; I573-G576 WeakPolarHBondContact O-CA 3.47Å; I573-G576 PolarHBondContact O-N 3.32Å; I573-G577 PolarHBondContact O-N 3.06Å; I573-G578 WeakPolarHBondContact O-CA 3.22Å; I573-G578 PolarHBondContact O-N 3.47Å; I573-A579 HydrophobicContact CG2-CB 3.84Å; I573-I712 HydrophobicContact CG1-CD1 4.06Å; I573-M847 HydrophobicContact CD1-CE 3.92Å; I573-A848 HydrophobicContact CD1-CB 3.82Å; I573-L851 HydrophobicContact CD1-CD1 4.11Å; I573-L851 HydrophobicContact CG1-CD1 3.7Å
574G98.6Very high98.4Very high29 Ų2944.5 Ų44.530%0.29926%0.262SS..Hα-helixtrans-61.8-35.317900000113.5C570 G576 G577C570-G574 PolarHBondContact O-N 2.99Å; G574-G576 VanDerWaalsContact C-N 3.28Å; G574-G576 PolarHBondContact O-N 3.41Å; G574-G577 PolarHBondContact O-N 3.24Å
575L98.5Very high98.5Very high73 Ų7343.4 Ų43.438%0.38225%0.253SS..Hα-helixtrans-76-12.1173.5-71.8173.7000114.1R571 A572 I573 V716 V720R571-L575 HydrophobicContact CG-CD1 4.29Å; R571-L575 WeakPolarHBondContact O-CB 3.4Å; R571-L575 WeakPolarHBondContact O-CG 3.43Å; R571-L575 PolarHBondContact O-N 3.39Å; A572-L575 PolarHBondContact O-N 2.91Å; I573-L575 VanDerWaalsContact C-N 3.3Å; I573-L575 PolarHBondContact O-N 3.17Å; L575-V716 HydrophobicContact CB-CG1 3.98Å; L575-V716 HydrophobicContact CB-CG2 3.74Å; L575-V716 HydrophobicContact CD1-CG1 4.34Å; L575-V720 HydrophobicContact CD1-CG2 3.88Å
576G97.7Very high98.5Very high27 Ų2742.7 Ų42.728%0.27825%0.247SC..THydrogen-bonded Turntrans-88.91169.100000114.6A572 I573 G574 P713A572-G576 PolarHBondContact O-N 3.4Å; A572-G576 VanDerWaalsContact O-N 3.13Å; I573-G576 WeakPolarHBondContact O-CA 3.47Å; I573-G576 PolarHBondContact O-N 3.32Å; G574-G576 VanDerWaalsContact C-N 3.28Å; G574-G576 PolarHBondContact O-N 3.41Å; G576-P713 VanDerWaalsContact CA-CD 3.49Å
577G97.4Very high98.5Very high76 Ų7642.7 Ų42.778%0.78425%0.247SC*.THydrogen-bonded Turntrans93.93.4-174.600000114.5I573 G574I573-G577 PolarHBondContact O-N 3.06Å; G574-G577 PolarHBondContact O-N 3.24Å
578G98.4Very high98.5Very high15 Ų1539.8 Ų39.816%0.15523%0.232CC..  trans98.9177.8179.100000114.5C545 I573C545-G578 WeakPolarHBondContact O-CA 3.32Å; I573-G578 WeakPolarHBondContact O-CA 3.22Å; I573-G578 PolarHBondContact O-N 3.47Å
579A98.8Very high98.5Very high5 Ų536.8 Ų36.84%0.04122%0.22CC..BIsolated β-bridgetrans-109.8156177.900000112C545 L546 D547 I573 E709 A710 M847C545-A579 PolarHBondContact O-N 3.45Å; L546-A579 CarbonylContact C-O 3.6Å; L546-A579 WeakPolarHBondContact CA-O 3.44Å; L546-A579 HydrophobicContact CD1-CB 3.83Å; D547-A579 PolarHBondContact N-O 3.13Å; I573-A579 HydrophobicContact CG2-CB 3.84Å; A579-E709 VanDerWaalsContact CA-O 3.27Å; A579-E709 WeakPolarHBondContact CA-O 3.27Å; A579-E709 WeakPolarHBondContact CB-O 3.37Å; A579-A710 HydrophobicContact CB-CB 4.17Å; A579-M847 HydrophobicContact CB-CE 3.54Å
580S98.9Very high98.5Very high48 Ų4837.5 Ų37.534%0.33622%0.223SC..EExtended strand (participates in β ladder)trans-114.2144169.7-72.80000110.4C708 E709S580-C708 CarbonylContact O-C 3.52Å; S580-C708 WeakPolarHBondContact O-CA 3.48Å; S580-C708 PolarHBondContact O-SG 2.89Å; S580-C708 VanDerWaalsContact O-SG 3.41Å; S580-E709 PolarHBondContact N-O 3.42Å; S580-E709 PolarHBondContact O-N 2.95Å
581S98.8Very high98.4Very high2 Ų237.5 Ų37.51%0.01422%0.223CC..EExtended strand (participates in β ladder)trans-143.7145.917873.50000114.7D547 V707 R840D547-S581 PolarHBondContact OD1-N 3.22Å; D547-S581 PolarHBondContact OD2-OG 3.38Å; S581-V707 CarbonylContact C-O 3.46Å; S581-V707 WeakPolarHBondContact CA-O 3.27Å; S581-V707 WeakPolarHBondContact CB-O 3.33Å; S581-R840 VanDerWaalsContact OG-CB 3.3Å; S581-R840 WeakPolarHBondContact OG-CB 3.39Å; S581-R840 VanDerWaalsContact OG-CD 3.29Å; S581-R840 WeakPolarHBondContact OG-CD 3.38Å; S581-R840 VanDerWaalsContact OG-CG 3.24Å; S581-R840 WeakPolarHBondContact OG-CG 3.33Å
582R98.8Very high98.4Very high135 Ų13530.2 Ų30.251%0.50920%0.196SC..EExtended strand (participates in β ladder)trans-132.8135.3-178.8-58-65.2172.9-101-3.6110.8D547 L584 V706 V707D547-R582 IonicContact OD1-CZ 3.95Å; D547-R582 IonicContact OD1-NH1 2.77Å; D547-R582 PolarHBondContact OD1-NH1 3.49Å; R582-L584 HydrophobicContact CB-CD2 4.4Å; R582-V706 WeakPolarHBondContact O-CA 3.45Å; R582-V707 HydrophobicContact CB-CG1 4.24Å; R582-V707 PolarHBondContact N-O 3.24Å; R582-V707 PolarHBondContact O-N 2.96Å
583V98.8Very high98.5Very high41 Ų4130.8 Ų30.825%0.24820%0.199CC..EExtended strand (participates in β ladder)trans-84.7111.7169.3-176.50000107.5A585 K704 S705 V706 R836 R840V583-A585 WeakPolarHBondContact CG1-O 3.44Å; V583-K704 HydrophobicContact CG1-CD 4.42Å; V583-S705 CarbonylContact C-O 3.57Å; V583-S705 WeakPolarHBondContact CA-O 3.35Å; V583-V706 HydrophobicContact CG2-CG2 4.3Å; V583-R836 HydrophobicContact CG1-CG 4.42Å; V583-R836 HydrophobicContact CG2-CB 4.14Å; V583-R836 HydrophobicContact CG2-CG 4.38Å; V583-R840 HydrophobicContact CG2-CG 3.76Å
584L98.6Very high98.5Very high115 Ų11530.8 Ų30.860%0.60220%0.199SC*.EExtended strand (participates in β ladder)trans-82.6-34.6-176.6-55.3178.5000111.8R582 S705 V707R582-L584 HydrophobicContact CB-CD2 4.4Å; L584-S705 PolarHBondContact N-O 2.62Å; L584-V707 HydrophobicContact CD1-CB 4.24Å; L584-V707 HydrophobicContact CD1-CG1 4.05Å; L584-V707 HydrophobicContact CD2-CG1 3.94Å; L584-V707 HydrophobicContact CG-CG1 4.11Å
585A98.3Very high98.5Very high41 Ų4133 Ų3334%0.33920%0.198SC..EExtended strand (participates in β ladder)trans-147.7152.7176.400000111.9V583 K704 S705V583-A585 WeakPolarHBondContact CG1-O 3.44Å; A585-K704 WeakPolarHBondContact O-CA 3.39Å; A585-S705 PolarHBondContact N-O 2.91Å; A585-S705 PolarHBondContact O-N 3.44Å
586D98.4Very high98.5Very high10 Ų1029.8 Ų29.85%0.05318%0.182CC..EExtended strand (participates in β ladder)trans-141.2107.3176.3-176.9-0.8000108.7Q632 R650 G703 K704 R836D586-Q632 PolarHBondContact O-NE2 2.93Å; D586-Q632 PolarHBondContact O-OE1 3.22Å; D586-R650 WeakPolarHBondContact O-CG 3.43Å; D586-G703 CarbonylContact C-O 3.58Å; D586-G703 WeakPolarHBondContact CA-O 3.34Å; D586-K704 HydrophobicContact CB-CD 3.94Å; D586-K704 VanDerWaalsContact CG-CD 3.5Å; D586-K704 VanDerWaalsContact CG-NZ 3.34Å; D586-K704 WeakPolarHBondContact OD1-CD 3.31Å; D586-K704 WeakPolarHBondContact OD1-CE 3.35Å; D586-K704 IonicContact OD1-NZ 3.11Å; D586-K704 PolarHBondContact OD1-NZ 3.14Å; D586-K704 VanDerWaalsContact OD2-CE 3.29Å; D586-K704 WeakPolarHBondContact OD2-CE 3.17Å; D586-K704 IonicContact OD2-NZ 2.66Å; D586-K704 PolarHBondContact OD2-NZ 2.98Å; D586-R836 IonicContact OD2-NH1 2.82Å
587G97.8Very high98.5Very high0 Ų031.1 Ų31.10%019%0.186CC..EExtended strand (participates in β ladder)trans-176.1112.6177.500000112.5Q648 S649 G703G587-Q648 PolarHBondContact O-NE2 2.93Å; G587-S649 CarbonylContact C-O 3.29Å; G587-S649 WeakPolarHBondContact CA-O 3.4Å; G587-G703 PolarHBondContact N-O 2.95Å; G587-G703 PolarHBondContact O-N 3.45Å
588M98.4Very high98.5Very high2 Ų235.2 Ų35.21%0.0118%0.177CC..EExtended strand (participates in β ladder)trans-76.1153.1171.6179.85166.200110.5Q648 S649 M655 M657 I660 R702 E801M588-Q648 WeakPolarHBondContact O-CA 3.49Å; M588-S649 PolarHBondContact N-O 3.44Å; M588-S649 PolarHBondContact O-N 3.3Å; M588-M655 HydrophobicContact CE-CG 4.14Å; M588-M655 WeakPolarHBondContact CE-O 3.25Å; M588-M655 HydrophobicContact CE-SD 3.88Å; M588-M655 WeakPolarHBondContact CG-O 3.25Å; M588-M657 HydrophobicContact CG-CG 4.38Å; M588-M657 HydrophobicContact SD-CG 4.11Å; M588-M657 HydrophobicContact SD-SD 4.16Å; M588-I660 HydrophobicContact CB-CG1 3.94Å; M588-I660 HydrophobicContact CG-CG1 3.84Å; M588-R702 HydrophobicContact SD-CG 4.25Å; M588-R702 PolarHBondContact SD-NH2 2.99Å; M588-R702 VanDerWaalsContact SD-NH2 3.42Å; M588-E801 HydrophobicContact CE-CB 4.03Å; M588-E801 HydrophobicContact CE-CG 4.12Å
589T98.6Very high98.5Very high0 Ų036.9 Ų36.90%019%0.19CC..EExtended strand (participates in β ladder)trans-126.7149.4-170.864.10000114.9R646 F647 Q648 C688 R702T589-R646 HydrophobicContact CG2-CG 4.4Å; T589-F647 WeakPolarHBondContact CA-O 3.3Å; T589-F647 WeakPolarHBondContact CB-O 3.31Å; T589-Q648 HydrophobicContact CG2-CB 3.94Å; T589-Q648 HydrophobicContact CG2-CG 3.8Å; T589-C688 PolarHBondContact OG1-O 2.95Å; T589-R702 HydrophobicContact CG2-CG 4.33Å; T589-R702 WeakPolarHBondContact OG1-CD 3.42Å; T589-R702 WeakPolarHBondContact OG1-CG 3.44Å; T589-R702 PolarHBondContact OG1-NE 2.97Å
590R98.6Very high98.5Very high15 Ų1541.1 Ų41.16%0.05722%0.218CC..EExtended strand (participates in β ladder)trans-134130.2167-178.964.466.5-145.2-1.7108.1P592 F647 M657 I660 S661 T664 V683R590-P592 WeakPolarHBondContact O-CD 3.26Å; R590-F647 PolarHBondContact N-O 3.47Å; R590-F647 PolarHBondContact O-N 3.39Å; R590-M657 VanDerWaalsContact NH2-CE 3.28Å; R590-M657 PolarHBondContact NH2-O 3.45Å; R590-M657 VanDerWaalsContact NH2-O 3.11Å; R590-M657 PolarHBondContact NH2-SD 3.47Å; R590-I660 HydrophobicContact CB-CB 4.45Å; R590-I660 HydrophobicContact CB-CG2 3.66Å; R590-S661 VanDerWaalsContact CZ-OG 3.27Å; R590-S661 PolarHBondContact NE-OG 3.5Å; R590-S661 PolarHBondContact NH2-OG 3.42Å; R590-T664 HydrophobicContact CG-CG2 3.99Å; R590-V683 WeakPolarHBondContact CD-O 3.19Å; R590-V683 HydrophobicContact CG-CG2 4.31Å; R590-V683 WeakPolarHBondContact CG-O 3.33Å
591G98.1Very high98.5Very high0 Ų039.2 Ų39.20%020%0.204CC..  trans-122.478.8-176.700000111.8I645 S684 G685 C688G591-I645 WeakPolarHBondContact CA-O 3.08Å; G591-S684 CarbonylContact O-C 3.57Å; G591-G685 PolarHBondContact O-N 2.65Å; G591-C688 PolarHBondContact N-SG 3.5Å
592P98.7Very high98.5Very high0 Ų039.1 Ų39.10%020%0.204CC..  trans-58.7164.9168.926.1-40000113.2R590 Y644 I645 F647 T664 L668 A682 V683R590-P592 WeakPolarHBondContact O-CD 3.26Å; P592-Y644 WeakPolarHBondContact O-CA 3.36Å; P592-I645 WeakPolarHBondContact CD-O 3.47Å; P592-I645 HydrophobicContact CG-CB 4.34Å; P592-I645 WeakPolarHBondContact CG-O 3.47Å; P592-I645 PolarHBondContact O-N 3Å; P592-F647 HydrophobicContact CG-CD2 4Å; P592-F647 HydrophobicContact CG-CE2 3.72Å; P592-T664 HydrophobicContact CB-CG2 4.33Å; P592-T664 HydrophobicContact CG-CG2 3.73Å; P592-L668 HydrophobicContact CB-CD1 3.75Å; P592-L668 HydrophobicContact CG-CD1 3.97Å; P592-L668 HydrophobicContact CG-CD2 4.25Å; P592-L668 HydrophobicContact CG-CG 4.48Å; P592-A682 VanDerWaalsContact CA-O 3.24Å; P592-A682 WeakPolarHBondContact CA-O 3.29Å; P592-A682 WeakPolarHBondContact CB-O 3.48Å; P592-V683 VanDerWaalsContact CA-O 3.25Å; P592-V683 WeakPolarHBondContact CA-O 3.31Å; P592-V683 WeakPolarHBondContact CB-O 3.44Å; P592-V683 WeakPolarHBondContact CD-O 3.32Å
593V98.8Very high98.5Very high13 Ų1335 Ų358%0.07920%0.198CC..EExtended strand (participates in β ladder)trans-123.2127.1163.260.50000109.6N642 Y644 L681 A682V593-N642 HydrophobicContact CG2-CB 4.09Å; V593-Y644 HydrophobicContact CB-CD1 3.65Å; V593-Y644 HydrophobicContact CB-CE1 3.58Å; V593-Y644 HydrophobicContact CB-CG 4.42Å; V593-Y644 HydrophobicContact CG1-CE1 4.36Å; V593-Y644 HydrophobicContact CG2-CD1 3.8Å; V593-Y644 HydrophobicContact CG2-CD2 4.4Å; V593-Y644 HydrophobicContact CG2-CE1 3.51Å; V593-Y644 HydrophobicContact CG2-CE2 4.13Å; V593-Y644 HydrophobicContact CG2-CG 4.24Å; V593-L681 HydrophobicContact CG1-CB 4.15Å; V593-L681 HydrophobicContact CG1-CD1 4.41Å; V593-L681 HydrophobicContact CG2-CD1 4.36Å; V593-L681 WeakPolarHBondContact O-CB 3.27Å; V593-L681 PolarHBondContact O-N 2.9Å; V593-L681 VanDerWaalsContact O-N 3.15Å; V593-A682 HydrophobicContact CG1-CB 4.33Å; V593-A682 PolarHBondContact N-O 3.07Å; V593-A682 PolarHBondContact O-N 3.15Å
594V98.8Very high98.4Very high0 Ų038.9 Ų38.90%021%0.214CC..EExtended strand (participates in β ladder)trans-114.6166172.5-550000109.6N642 L643 I645 L668 M678 Q679 I680V594-N642 CarbonylContact O-C 3.43Å; V594-N642 WeakPolarHBondContact O-CA 3.43Å; V594-L643 HydrophobicContact CG2-CB 3.83Å; V594-L643 HydrophobicContact CG2-CD2 4.22Å; V594-L643 HydrophobicContact CG2-CG 4.24Å; V594-L643 PolarHBondContact N-O 2.99Å; V594-L643 PolarHBondContact O-N 3.45Å; V594-I645 HydrophobicContact CG2-CD1 4.16Å; V594-L668 HydrophobicContact CG1-CD2 3.8Å; V594-M678 HydrophobicContact CB-CG 3.79Å; V594-M678 HydrophobicContact CB-SD 3.85Å; V594-M678 HydrophobicContact CG1-CE 4.45Å; V594-M678 HydrophobicContact CG1-CG 4.38Å; V594-M678 HydrophobicContact CG1-SD 3.94Å; V594-M678 HydrophobicContact CG2-CG 3.94Å; V594-M678 HydrophobicContact CG2-SD 3.72Å; V594-Q679 CarbonylContact C-O 3.54Å; V594-Q679 WeakPolarHBondContact CA-O 3.35Å; V594-I680 HydrophobicContact CG1-CG1 4.26Å
595R98.6Very high98.5Very high74 Ų7433.4 Ų33.428%0.27919%0.185SC..EExtended strand (participates in β ladder)trans-143.2136.7-174.4167.6-173.7-70.8164.3-0.2110.2R641 N642 M678 Q679 L681R595-R641 WeakPolarHBondContact CA-O 3.42Å; R595-R641 HydrophobicContact CG-CG 4.38Å; R595-N642 PolarHBondContact NE-OD1 3.33Å; R595-M678 CarbonylContact O-C 3.36Å; R595-Q679 HydrophobicContact CB-CB 4.44Å; R595-Q679 PolarHBondContact N-O 3.08Å; R595-Q679 PolarHBondContact O-N 2.87Å; R595-L681 HydrophobicContact CB-CD1 3.87Å; R595-L681 HydrophobicContact CB-CD2 4.29Å; R595-L681 HydrophobicContact CB-CG 3.99Å
596L98.8Very high98.5Very high6 Ų633.9 Ų33.93%0.03118%0.18CC..  trans-115.3173.4174.3-75.895.5000111R598 D601 V605 R641 M678L596-R598 PolarHBondContact O-N 3.39Å; L596-D601 HydrophobicContact CB-CB 3.89Å; L596-D601 HydrophobicContact CD2-CB 3.76Å; L596-D601 HydrophobicContact CG-CB 4.47Å; L596-V605 HydrophobicContact CD1-CG2 4.03Å; L596-V605 HydrophobicContact CD2-CG2 3.5Å; L596-V605 VanDerWaalsContact CD2-CG2 3.5Å; L596-V605 HydrophobicContact CG-CG2 4.42Å; L596-R641 PolarHBondContact N-O 3.07Å; L596-R641 WeakPolarHBondContact O-CD 3.35Å; L596-R641 PolarHBondContact O-NH1 3.08Å; L596-M678 HydrophobicContact CD1-CB 4.31Å; L596-M678 HydrophobicContact CD1-CG 3.93Å; L596-M678 HydrophobicContact CG-CB 4.18Å; L596-M678 HydrophobicContact CG-CG 4.33Å
597P98.5Very high98.5Very high56 Ų5636 Ų3636%0.36420%0.199SC..SBendtrans-60-43.5-179.8-25.936.2000113.2R641 E677P597-R641 VanDerWaalsContact O-CD 3.26Å; P597-R641 WeakPolarHBondContact O-CD 3.5Å; P597-E677 HydrophobicContact CG-CB 3.86Å; P597-E677 HydrophobicContact CG-CG 4.42Å
598R97.8Very high98.5Very high161 Ų16138.7 Ų38.761%0.60821%0.209SC*.SBendtrans-132.8167.8-176-48.9167.5-65.8-165.32.8111.6L596 D601 S602L596-R598 PolarHBondContact O-N 3.39Å; R598-D601 WeakPolarHBondContact CA-OD2 3.21Å; R598-D601 WeakPolarHBondContact CB-OD2 3.03Å; R598-D601 WeakPolarHBondContact CG-OD2 3.31Å; R598-D601 IonicContact CZ-OD1 2.65Å; R598-D601 IonicContact CZ-OD2 2.69Å; R598-D601 PolarHBondContact N-OD2 3.08Å; R598-D601 IonicContact NE-OD1 2.78Å; R598-D601 PolarHBondContact NE-OD1 3.35Å; R598-D601 IonicContact NE-OD2 2.83Å; R598-D601 PolarHBondContact NE-OD2 3.25Å; R598-D601 VanDerWaalsContact NE-OD2 3.16Å; R598-D601 IonicContact NH2-OD1 2.65Å; R598-D601 PolarHBondContact NH2-OD1 3.42Å; R598-D601 IonicContact NH2-OD2 3.51Å; R598-D601 PolarHBondContact O-N 3.42Å; R598-S602 PolarHBondContact O-N 3.2Å; R598-S602 PolarHBondContact O-OG 2.89Å
599A98.2Very high98.5Very high50 Ų5038.8 Ų38.841%0.41321%0.209SC..Hα-helixtrans-67.5-34.1177.100000113.2D601 S602 A603 G640A599-D601 VanDerWaalsContact C-N 3.35Å; A599-S602 WeakPolarHBondContact CA-OG 3.49Å; A599-S602 PolarHBondContact O-N 2.94Å; A599-S602 PolarHBondContact O-OG 2.86Å; A599-A603 PolarHBondContact O-N 2.83Å; A599-G640 WeakPolarHBondContact CA-O 3.31Å; A599-G640 VanDerWaalsContact CB-O 3.29Å; A599-G640 WeakPolarHBondContact CB-O 3.44Å
600C98.5Very high98.5Very high94 Ų9444.4 Ų44.464%0.63524%0.235SC*.Hα-helixtrans-59.8-46.3176.1-52.70000111.2S602 A603 E604C600-S602 VanDerWaalsContact C-N 3.34Å; C600-S602 PolarHBondContact O-N 3.46Å; C600-A603 WeakPolarHBondContact O-CA 3.33Å; C600-A603 WeakPolarHBondContact O-CB 3.39Å; C600-A603 PolarHBondContact O-N 3.16Å; C600-E604 PolarHBondContact O-N 3.33Å
601D98.5Very high98.5Very high9 Ų946.1 Ų46.15%0.04825%0.247CC..Hα-helixtrans-62.4-41.6-179.2-36.1-26.7000110.5L596 R598 A599 A603 E604 V605L596-D601 HydrophobicContact CB-CB 3.89Å; L596-D601 HydrophobicContact CD2-CB 3.76Å; L596-D601 HydrophobicContact CG-CB 4.47Å; R598-D601 WeakPolarHBondContact CA-OD2 3.21Å; R598-D601 WeakPolarHBondContact CB-OD2 3.03Å; R598-D601 WeakPolarHBondContact CG-OD2 3.31Å; R598-D601 IonicContact CZ-OD1 2.65Å; R598-D601 IonicContact CZ-OD2 2.69Å; R598-D601 PolarHBondContact N-OD2 3.08Å; R598-D601 IonicContact NE-OD1 2.78Å; R598-D601 PolarHBondContact NE-OD1 3.35Å; R598-D601 IonicContact NE-OD2 2.83Å; R598-D601 PolarHBondContact NE-OD2 3.25Å; R598-D601 VanDerWaalsContact NE-OD2 3.16Å; R598-D601 IonicContact NH2-OD1 2.65Å; R598-D601 PolarHBondContact NH2-OD1 3.42Å; R598-D601 IonicContact NH2-OD2 3.51Å; R598-D601 PolarHBondContact O-N 3.42Å; A599-D601 VanDerWaalsContact C-N 3.35Å; D601-A603 VanDerWaalsContact C-N 3.29Å; D601-A603 PolarHBondContact O-N 3.01Å; D601-E604 WeakPolarHBondContact O-CB 3.15Å; D601-E604 PolarHBondContact O-N 3Å; D601-V605 WeakPolarHBondContact O-CG2 3.43Å; D601-V605 PolarHBondContact O-N 3.5Å
602S98.3Very high98.4Very high0 Ų050 Ų500%028%0.275CS..Hα-helixtrans-68.5-23.7173.1500000114.4R598 A599 C600 K606 I638 G640R598-S602 PolarHBondContact O-N 3.2Å; R598-S602 PolarHBondContact O-OG 2.89Å; A599-S602 WeakPolarHBondContact CA-OG 3.49Å; A599-S602 PolarHBondContact O-N 2.94Å; A599-S602 PolarHBondContact O-OG 2.86Å; C600-S602 VanDerWaalsContact C-N 3.34Å; C600-S602 PolarHBondContact O-N 3.46Å; S602-K606 WeakPolarHBondContact O-CB 3.26Å; S602-K606 PolarHBondContact O-N 2.92Å; S602-K606 VanDerWaalsContact O-N 3.13Å; S602-I638 WeakPolarHBondContact O-CD1 3.49Å; S602-G640 PolarHBondContact OG-O 3.42Å
603A98.6Very high98.4Very high48 Ų4855.9 Ų55.940%0.39730%0.302SS..Hα-helixtrans-75.7-36.4171.700000111.7A599 C600 D601 K606 A607 I638A599-A603 PolarHBondContact O-N 2.83Å; C600-A603 WeakPolarHBondContact O-CA 3.33Å; C600-A603 WeakPolarHBondContact O-CB 3.39Å; C600-A603 PolarHBondContact O-N 3.16Å; D601-A603 VanDerWaalsContact C-N 3.29Å; D601-A603 PolarHBondContact O-N 3.01Å; A603-K606 PolarHBondContact O-N 3.31Å; A603-A607 WeakPolarHBondContact O-CB 3.33Å; A603-A607 PolarHBondContact O-N 3.43Å; A603-I638 HydrophobicContact CB-CD1 4.17Å
604E98.7Very high98.3Very high122 Ų12255.3 Ų55.357%0.5730%0.299SS*.Hα-helixtrans-61-49.1171.1-175.8178.5-178.300111.3C600 D601 K606 A607 W608 F675C600-E604 PolarHBondContact O-N 3.33Å; D601-E604 WeakPolarHBondContact O-CB 3.15Å; D601-E604 PolarHBondContact O-N 3Å; E604-K606 VanDerWaalsContact C-N 3.32Å; E604-K606 PolarHBondContact O-N 2.97Å; E604-A607 PolarHBondContact O-N 3.29Å; E604-W608 WeakPolarHBondContact O-CB 3.47Å; E604-W608 PolarHBondContact O-N 2.96Å; E604-F675 HydrophobicContact CG-CE1 4.3Å
605V98.6Very high98.3Very high0 Ų057.9 Ų57.90%031%0.31CS..Hα-helixtrans-60.2-40.6175.4178.90000111.8L596 D601 W608 L609 L643 L671 F675L596-V605 HydrophobicContact CD1-CG2 4.03Å; L596-V605 HydrophobicContact CD2-CG2 3.5Å; L596-V605 VanDerWaalsContact CD2-CG2 3.5Å; L596-V605 HydrophobicContact CG-CG2 4.42Å; D601-V605 WeakPolarHBondContact O-CG2 3.43Å; D601-V605 PolarHBondContact O-N 3.5Å; V605-W608 PolarHBondContact O-N 2.94Å; V605-L609 HydrophobicContact CG1-CD1 3.99Å; V605-L609 HydrophobicContact CG1-CG 4.38Å; V605-L609 WeakPolarHBondContact O-CB 3.37Å; V605-L609 VanDerWaalsContact O-CG 3.26Å; V605-L609 WeakPolarHBondContact O-CG 3.22Å; V605-L609 PolarHBondContact O-N 2.68Å; V605-L643 HydrophobicContact CB-CD2 3.97Å; V605-L643 HydrophobicContact CG1-CD2 3.52Å; V605-L671 HydrophobicContact CG1-CD1 4.25Å; V605-L671 HydrophobicContact CG1-CD2 4.13Å; V605-L671 HydrophobicContact CG1-CG 4.49Å; V605-F675 HydrophobicContact CG1-CD2 4.37Å; V605-F675 HydrophobicContact CG1-CE2 4.42Å; V605-F675 HydrophobicContact CG2-CB 4.19Å; V605-F675 HydrophobicContact CG2-CD1 3.58Å; V605-F675 HydrophobicContact CG2-CD2 3.83Å; V605-F675 HydrophobicContact CG2-CE1 3.82Å; V605-F675 HydrophobicContact CG2-CE2 4.06Å; V605-F675 HydrophobicContact CG2-CG 3.58Å; V605-F675 HydrophobicContact CG2-CZ 4.05Å
606K98.7Very high98.3Very high52 Ų5256.9 Ų56.923%0.22632%0.318CS..Hα-helixtrans-61.2-50.3175.2178.3178.8-179.9-66.70111.3S602 A603 E604 W608 L609 E610 T636 I638 L643S602-K606 WeakPolarHBondContact O-CB 3.26Å; S602-K606 PolarHBondContact O-N 2.92Å; S602-K606 VanDerWaalsContact O-N 3.13Å; A603-K606 PolarHBondContact O-N 3.31Å; E604-K606 VanDerWaalsContact C-N 3.32Å; E604-K606 PolarHBondContact O-N 2.97Å; K606-W608 VanDerWaalsContact C-N 3.31Å; K606-W608 PolarHBondContact O-N 2.95Å; K606-L609 PolarHBondContact O-N 3.44Å; K606-E610 WeakPolarHBondContact CE-OE1 3.45Å; K606-E610 IonicContact NZ-OE1 3.92Å; K606-E610 PolarHBondContact NZ-OE1 3.28Å; K606-E610 IonicContact NZ-OE2 3.82Å; K606-E610 PolarHBondContact NZ-OE2 3.06Å; K606-E610 WeakPolarHBondContact O-CG 3.44Å; K606-E610 PolarHBondContact O-N 2.62Å; K606-E610 VanDerWaalsContact O-N 3.14Å; K606-T636 WeakPolarHBondContact CE-O 3.25Å; K606-I638 HydrophobicContact CB-CD1 3.86Å; K606-I638 HydrophobicContact CB-CG1 4.46Å; K606-I638 HydrophobicContact CD-CD1 3.68Å; K606-I638 HydrophobicContact CD-CG1 4.09Å; K606-I638 HydrophobicContact CG-CD1 4.37Å; K606-L643 HydrophobicContact CB-CD1 4.18Å
607A98.5Very high98.3Very high55 Ų5558.3 Ų58.346%0.45533%0.326SS..Hα-helixtrans-60.6-41.1179.900000111.6A603 E604 E610 T611A603-A607 WeakPolarHBondContact O-CB 3.33Å; A603-A607 PolarHBondContact O-N 3.43Å; E604-A607 PolarHBondContact O-N 3.29Å; A607-E610 PolarHBondContact O-N 3.18Å; A607-E610 VanDerWaalsContact O-N 3.17Å; A607-T611 PolarHBondContact O-N 3.18Å
608W98.7Very high98.3Very high56 Ų5655.6 Ų55.621%0.21231%0.309CS..Hα-helixtrans-62.1-43.8175.3-173.691.1000112.3E604 V605 K606 E610 T611 V617 I618 L671 Y674 F675E604-W608 WeakPolarHBondContact O-CB 3.47Å; E604-W608 PolarHBondContact O-N 2.96Å; V605-W608 PolarHBondContact O-N 2.94Å; K606-W608 VanDerWaalsContact C-N 3.31Å; K606-W608 PolarHBondContact O-N 2.95Å; W608-E610 PolarHBondContact O-N 2.79Å; W608-T611 WeakPolarHBondContact O-CB 3.25Å; W608-T611 PolarHBondContact O-N 3.2Å; W608-T611 VanDerWaalsContact O-N 3.11Å; W608-T611 PolarHBondContact O-OG1 3.25Å; W608-V617 HydrophobicContact CH2-CB 4.42Å; W608-V617 HydrophobicContact CH2-CG1 4.42Å; W608-I618 HydrophobicContact CH2-CD1 4.45Å; W608-I618 HydrophobicContact CH2-CG1 4.1Å; W608-I618 HydrophobicContact CZ3-CD1 4.15Å; W608-I618 HydrophobicContact CZ3-CG1 3.68Å; W608-L671 HydrophobicContact CE3-CD1 3.85Å; W608-L671 HydrophobicContact CH2-CD1 4.43Å; W608-L671 HydrophobicContact CZ3-CD1 3.54Å; W608-Y674 HydrophobicContact CH2-CD1 4.46Å; W608-Y674 HydrophobicContact CH2-CD2 4.11Å; W608-Y674 HydrophobicContact CH2-CE2 4.32Å; W608-Y674 HydrophobicContact CH2-CG 4.2Å; W608-Y674 AromaticContact CZ2-CD1 3.71Å; W608-Y674 HydrophobicContact CZ2-CD1 3.71Å; W608-Y674 HydrophobicContact CZ2-CD2 4.15Å; W608-Y674 AromaticContact CZ2-CE1 3.85Å; W608-Y674 HydrophobicContact CZ2-CE1 3.85Å; W608-Y674 HydrophobicContact CZ2-CE2 4.29Å; W608-Y674 AromaticContact CZ2-CG 3.87Å; W608-Y674 HydrophobicContact CZ2-CG 3.87Å; W608-F675 HydrophobicContact CB-CE2 4.22Å; W608-F675 HydrophobicContact CB-CZ 3.86Å; W608-F675 AromaticContact CD2-CE2 3.81Å; W608-F675 HydrophobicContact CD2-CE2 3.81Å; W608-F675 HydrophobicContact CD2-CZ 4.17Å; W608-F675 AromaticContact CE3-CE2 3.94Å; W608-F675 HydrophobicContact CE3-CE2 3.94Å; W608-F675 AromaticContact CG-CE2 3.94Å; W608-F675 HydrophobicContact CG-CE2 3.94Å; W608-F675 AromaticContact CG-CZ 3.8Å; W608-F675 HydrophobicContact CG-CZ 3.8Å
609L98.5Very high98.4Very high4 Ų450.8 Ų50.82%0.02129%0.292CS..Hα-helixtrans-65.1-18.3175.5-72.8171.5000114V605 K606 I618 L634 T636 L643 I645 L671V605-L609 HydrophobicContact CG1-CD1 3.99Å; V605-L609 HydrophobicContact CG1-CG 4.38Å; V605-L609 WeakPolarHBondContact O-CB 3.37Å; V605-L609 VanDerWaalsContact O-CG 3.26Å; V605-L609 WeakPolarHBondContact O-CG 3.22Å; V605-L609 PolarHBondContact O-N 2.68Å; K606-L609 PolarHBondContact O-N 3.44Å; L609-I618 HydrophobicContact CD2-CG1 3.85Å; L609-L634 HydrophobicContact CB-CD1 4.25Å; L609-L634 HydrophobicContact CD2-CD1 3.85Å; L609-T636 HydrophobicContact CD1-CG2 4.09Å; L609-L643 HydrophobicContact CD1-CD2 4.16Å; L609-I645 HydrophobicContact CD1-CD1 3.74Å; L609-I645 HydrophobicContact CD1-CG1 4.14Å; L609-I645 HydrophobicContact CD1-CG2 4.41Å; L609-L671 HydrophobicContact CD1-CD2 4.2Å; L609-L671 HydrophobicContact CD2-CD1 3.94Å; L609-L671 HydrophobicContact CD2-CD2 4.29Å; L609-L671 HydrophobicContact CG-CD1 4.4Å
610E97.8Very high98.4Very high117 Ų11755.4 Ų55.455%0.54731%0.305SS..THydrogen-bonded Turntrans-94.2-5.7176-70.2172.5143.500113K606 A607 W608K606-E610 WeakPolarHBondContact CE-OE1 3.45Å; K606-E610 IonicContact NZ-OE1 3.92Å; K606-E610 PolarHBondContact NZ-OE1 3.28Å; K606-E610 IonicContact NZ-OE2 3.82Å; K606-E610 PolarHBondContact NZ-OE2 3.06Å; K606-E610 WeakPolarHBondContact O-CG 3.44Å; K606-E610 PolarHBondContact O-N 2.62Å; K606-E610 VanDerWaalsContact O-N 3.14Å; A607-E610 PolarHBondContact O-N 3.18Å; A607-E610 VanDerWaalsContact O-N 3.17Å; W608-E610 PolarHBondContact O-N 2.79Å
611T98.4Very high98.4Very high51 Ų5151.3 Ų51.331%0.31328%0.278SS..SBendtrans-74.2152.7167.867.20000111.6A607 W608 E613 G614 F615A607-T611 PolarHBondContact O-N 3.18Å; W608-T611 WeakPolarHBondContact O-CB 3.25Å; W608-T611 PolarHBondContact O-N 3.2Å; W608-T611 VanDerWaalsContact O-N 3.11Å; W608-T611 PolarHBondContact O-OG1 3.25Å; T611-E613 PolarHBondContact O-N 3.26Å; T611-G614 PolarHBondContact OG1-N 2.83Å; T611-F615 VanDerWaalsContact O-CB 3.31Å; T611-F615 WeakPolarHBondContact O-CB 3.38Å; T611-F615 PolarHBondContact O-N 3.45Å
612S97.6Very high98.4Very high82 Ų8250.9 Ų50.957%0.57328%0.276SS*.Hα-helixtrans-59.3-36.5173.324.70000112A616S612-A616 WeakPolarHBondContact O-CB 3.19Å; S612-A616 PolarHBondContact O-N 3.22Å
613E97.4Very high98.4Very high124 Ų12452 Ų5258%0.57928%0.282SS*.Hα-helixtrans-75.9-48.1-174.9-60.262.4-126.700110.5T611 A616 V617T611-E613 PolarHBondContact O-N 3.26Å; E613-A616 PolarHBondContact O-N 3.15Å; E613-V617 WeakPolarHBondContact O-CG2 3.37Å; E613-V617 PolarHBondContact O-N 2.78Å
614G97.6Very high98.4Very high0 Ų053.7 Ų53.70%029%0.291CS..Hα-helixtrans-63.8-43176.200000112.3T611 A616 I618T611-G614 PolarHBondContact OG1-N 2.83Å; G614-A616 PolarHBondContact O-N 2.8Å; G614-I618 WeakPolarHBondContact O-CB 3.42Å; G614-I618 VanDerWaalsContact O-CG1 3.25Å; G614-I618 WeakPolarHBondContact O-CG1 3.48Å; G614-I618 PolarHBondContact O-N 3.19Å; G614-I618 VanDerWaalsContact O-N 3.13Å
615F98.5Very high98.3Very high55 Ų5548.7 Ų48.724%0.24127%0.269CS..Hα-helixtrans-62-41.8172.7178.9-103000112.1T611 I618 K619 L631 L634T611-F615 VanDerWaalsContact O-CB 3.31Å; T611-F615 WeakPolarHBondContact O-CB 3.38Å; T611-F615 PolarHBondContact O-N 3.45Å; F615-I618 PolarHBondContact O-N 2.91Å; F615-K619 HydrophobicContact CE1-CB 4.43Å; F615-K619 HydrophobicContact CE1-CD 3.85Å; F615-K619 HydrophobicContact CZ-CD 4.15Å; F615-K619 WeakPolarHBondContact O-CB 3.38Å; F615-K619 PolarHBondContact O-N 3.41Å; F615-L631 HydrophobicContact CE2-CD2 3.89Å; F615-L631 HydrophobicContact CE2-CG 4.21Å; F615-L631 HydrophobicContact CZ-CD2 4.38Å; F615-L631 HydrophobicContact CZ-CG 4.44Å; F615-L634 HydrophobicContact CD2-CD1 4.16Å; F615-L634 HydrophobicContact CD2-CG 3.98Å; F615-L634 HydrophobicContact CE2-CG 4.07Å
616A98.4Very high98.2Very high53 Ų5350 Ų5044%0.43828%0.278SS..Hα-helixtrans-62.8-46.7179.600000112.7S612 E613 G614 I618 K619 E620S612-A616 WeakPolarHBondContact O-CB 3.19Å; S612-A616 PolarHBondContact O-N 3.22Å; E613-A616 PolarHBondContact O-N 3.15Å; G614-A616 PolarHBondContact O-N 2.8Å; A616-I618 VanDerWaalsContact C-N 3.35Å; A616-I618 PolarHBondContact O-N 3.13Å; A616-K619 PolarHBondContact O-N 2.79Å; A616-E620 PolarHBondContact O-N 3.29Å
617V98.5Very high98Very high35 Ų3556.9 Ų56.921%0.21230%0.303CS..Hα-helixtrans-61.3-42.9177.11700000111.5W608 E613 E620 A621 K670 Y674W608-V617 HydrophobicContact CH2-CB 4.42Å; W608-V617 HydrophobicContact CH2-CG1 4.42Å; E613-V617 WeakPolarHBondContact O-CG2 3.37Å; E613-V617 PolarHBondContact O-N 2.78Å; V617-E620 PolarHBondContact O-N 2.8Å; V617-A621 PolarHBondContact O-N 3.24Å; V617-A621 VanDerWaalsContact O-N 3.11Å; V617-K670 HydrophobicContact CG1-CD 3.99Å; V617-K670 HydrophobicContact CG1-CG 3.75Å; V617-Y674 HydrophobicContact CG1-CE2 3.75Å
618I98.7Very high97.9Very high0 Ų057.4 Ų57.40%030%0.295CS..Hα-helixtrans-69.9-36.2178.8-68.5-63.2000111.7W608 L609 G614 F615 A616 F622 L631 L634 F647 A667 K670 L671W608-I618 HydrophobicContact CH2-CD1 4.45Å; W608-I618 HydrophobicContact CH2-CG1 4.1Å; W608-I618 HydrophobicContact CZ3-CD1 4.15Å; W608-I618 HydrophobicContact CZ3-CG1 3.68Å; L609-I618 HydrophobicContact CD2-CG1 3.85Å; G614-I618 WeakPolarHBondContact O-CB 3.42Å; G614-I618 VanDerWaalsContact O-CG1 3.25Å; G614-I618 WeakPolarHBondContact O-CG1 3.48Å; G614-I618 PolarHBondContact O-N 3.19Å; G614-I618 VanDerWaalsContact O-N 3.13Å; F615-I618 PolarHBondContact O-N 2.91Å; A616-I618 VanDerWaalsContact C-N 3.35Å; A616-I618 PolarHBondContact O-N 3.13Å; I618-F622 VanDerWaalsContact O-CB 3.32Å; I618-F622 WeakPolarHBondContact O-CB 3.26Å; I618-F622 PolarHBondContact O-N 3.25Å; I618-L631 HydrophobicContact CG2-CD2 4.33Å; I618-L634 HydrophobicContact CG2-CD1 4.25Å; I618-F647 HydrophobicContact CG2-CE1 3.78Å; I618-F647 HydrophobicContact CG2-CZ 4.45Å; I618-A667 WeakPolarHBondContact CD1-O 3.36Å; I618-A667 HydrophobicContact CG2-CB 4.15Å; I618-K670 HydrophobicContact CD1-CB 4.49Å; I618-K670 HydrophobicContact CD1-CG 4.41Å; I618-L671 HydrophobicContact CD1-CB 3.78Å; I618-L671 HydrophobicContact CD1-CD1 4.1Å; I618-L671 HydrophobicContact CD1-CG 4.47Å
619K98.7Very high97.7Very high60 Ų6054.8 Ų54.826%0.26129%0.285SS..Hα-helixtrans-64.8-44.6173.3173.3166.2175.357.90112.3F615 A616 F622 D623 L631F615-K619 HydrophobicContact CE1-CB 4.43Å; F615-K619 HydrophobicContact CE1-CD 3.85Å; F615-K619 HydrophobicContact CZ-CD 4.15Å; F615-K619 WeakPolarHBondContact O-CB 3.38Å; F615-K619 PolarHBondContact O-N 3.41Å; A616-K619 PolarHBondContact O-N 2.79Å; K619-F622 PolarHBondContact O-N 3.02Å; K619-D623 IonicContact NZ-OD1 2.65Å; K619-D623 IonicContact NZ-OD2 3.9Å; K619-D623 PolarHBondContact NZ-OD2 2.69Å; K619-D623 VanDerWaalsContact O-CB 3.3Å; K619-D623 WeakPolarHBondContact O-CB 3.46Å; K619-D623 PolarHBondContact O-N 3.04Å; K619-L631 HydrophobicContact CB-CB 4.45Å; K619-L631 HydrophobicContact CB-CD2 4.09Å; K619-L631 HydrophobicContact CG-CB 4.18Å; K619-L631 PolarHBondContact NZ-O 2.84Å
620E98.6Very high97.6Very high146 Ų14660.1 Ų60.168%0.68231%0.305SS*.Hα-helixtrans-59.1-50175.3-178.4-179-14100110.8A616 V617 F622 D623 S624A616-E620 PolarHBondContact O-N 3.29Å; V617-E620 PolarHBondContact O-N 2.8Å; E620-F622 VanDerWaalsContact C-N 3.32Å; E620-F622 PolarHBondContact O-N 3.14Å; E620-D623 PolarHBondContact O-N 3.34Å; E620-S624 WeakPolarHBondContact O-CB 3.4Å; E620-S624 PolarHBondContact O-N 3.46Å
621A98.6Very high97.6Very high8 Ų854.8 Ų54.87%0.06628%0.28CS..Hα-helixtrans-58.9-41.6177.700000112.5V617 S624 K666 K670V617-A621 PolarHBondContact O-N 3.24Å; V617-A621 VanDerWaalsContact O-N 3.11Å; A621-S624 PolarHBondContact O-OG 2.92Å; A621-K666 VanDerWaalsContact O-CG 3.28Å; A621-K666 WeakPolarHBondContact O-CG 3.34Å; A621-K670 HydrophobicContact CB-CB 3.61Å; A621-K670 HydrophobicContact CB-CG 3.88Å
622F98.7Very high97.5Very high0 Ų056.1 Ų56.10%028%0.283CS..Hα-helixtrans-66.1-54.4176.9-171.1-80.2000112.3I618 K619 E620 S624 T625 A629 L631 F647 S649 I660 G663 T664 A667I618-F622 VanDerWaalsContact O-CB 3.32Å; I618-F622 WeakPolarHBondContact O-CB 3.26Å; I618-F622 PolarHBondContact O-N 3.25Å; K619-F622 PolarHBondContact O-N 3.02Å; E620-F622 VanDerWaalsContact C-N 3.32Å; E620-F622 PolarHBondContact O-N 3.14Å; F622-S624 PolarHBondContact O-N 2.79Å; F622-T625 WeakPolarHBondContact O-CB 3.49Å; F622-T625 WeakPolarHBondContact O-CG2 3.44Å; F622-T625 PolarHBondContact O-N 3.33Å; F622-T625 PolarHBondContact O-OG1 3.09Å; F622-A629 HydrophobicContact CD1-CB 4.19Å; F622-A629 HydrophobicContact CE1-CB 3.89Å; F622-L631 HydrophobicContact CB-CB 4.43Å; F622-L631 HydrophobicContact CB-CD2 4.33Å; F622-L631 HydrophobicContact CD1-CB 3.9Å; F622-L631 HydrophobicContact CD1-CD1 4.29Å; F622-L631 HydrophobicContact CD2-CD1 4.1Å; F622-L631 HydrophobicContact CE1-CB 4.41Å; F622-L631 HydrophobicContact CE1-CD1 4.35Å; F622-L631 HydrophobicContact CE2-CD1 4.16Å; F622-L631 HydrophobicContact CG-CB 4.19Å; F622-L631 HydrophobicContact CG-CD1 4.17Å; F622-L631 HydrophobicContact CG-CD2 4.48Å; F622-L631 HydrophobicContact CZ-CD1 4.29Å; F622-F647 AromaticContact CD2-CD1 3.73Å; F622-F647 HydrophobicContact CD2-CD1 3.73Å; F622-F647 HydrophobicContact CD2-CE1 4.3Å; F622-F647 HydrophobicContact CD2-CG 4.5Å; F622-F647 HydrophobicContact CE2-CB 4.1Å; F622-F647 AromaticContact CE2-CD1 3.95Å; F622-F647 HydrophobicContact CE2-CD1 3.95Å; F622-F647 HydrophobicContact CE2-CG 4.29Å; F622-S649 VanDerWaalsContact CE1-CB 3.49Å; F622-S649 WeakPolarHBondContact CE1-OG 3.45Å; F622-I660 HydrophobicContact CE2-CG2 4.24Å; F622-I660 HydrophobicContact CZ-CB 4.45Å; F622-I660 HydrophobicContact CZ-CD1 4.26Å; F622-I660 HydrophobicContact CZ-CG2 3.83Å; F622-G663 WeakPolarHBondContact CD2-O 3.5Å; F622-G663 VanDerWaalsContact CE2-C 3.43Å; F622-T664 VanDerWaalsContact CE2-N 3.35Å; F622-A667 HydrophobicContact CB-CB 4.19Å; F622-A667 HydrophobicContact CD2-CB 4.2Å
623D98.4Very high97.1Very high25 Ų2556.1 Ų56.113%0.13427%0.272CS..Hα-helixtrans-67.7-24.2-174-71.48.4000112.1K619 E620 T625 S626 R630 L631K619-D623 IonicContact NZ-OD1 2.65Å; K619-D623 IonicContact NZ-OD2 3.9Å; K619-D623 PolarHBondContact NZ-OD2 2.69Å; K619-D623 VanDerWaalsContact O-CB 3.3Å; K619-D623 WeakPolarHBondContact O-CB 3.46Å; K619-D623 PolarHBondContact O-N 3.04Å; E620-D623 PolarHBondContact O-N 3.34Å; D623-T625 PolarHBondContact O-N 2.82Å; D623-T625 VanDerWaalsContact O-N 3.14Å; D623-S626 VanDerWaalsContact O-O 3.13Å; D623-R630 VanDerWaalsContact OD1-CA 3.28Å; D623-R630 WeakPolarHBondContact OD1-CA 3.45Å; D623-R630 WeakPolarHBondContact OD2-CD 3.27Å; D623-L631 PolarHBondContact OD1-N 3.07Å
624S98.3Very high97.2Very high82 Ų8251.6 Ų51.657%0.57325%0.252SS*.THydrogen-bonded Turntrans-58.1-22.8173.6770000113.9E620 A621 F622E620-S624 WeakPolarHBondContact O-CB 3.4Å; E620-S624 PolarHBondContact O-N 3.46Å; A621-S624 PolarHBondContact O-OG 2.92Å; F622-S624 PolarHBondContact O-N 2.79Å
625T97.9Very high97.2Very high18 Ų1854.6 Ų54.611%0.1127%0.265CS..THydrogen-bonded Turntrans-81.7-17.6-17165.90000114.7F622 D623 K662 G663 K666F622-T625 WeakPolarHBondContact O-CB 3.49Å; F622-T625 WeakPolarHBondContact O-CG2 3.44Å; F622-T625 PolarHBondContact O-N 3.33Å; F622-T625 PolarHBondContact O-OG1 3.09Å; D623-T625 PolarHBondContact O-N 2.82Å; D623-T625 VanDerWaalsContact O-N 3.14Å; T625-K662 HydrophobicContact CG2-CG 4.44Å; T625-K662 PolarHBondContact O-NZ 3.38Å; T625-G663 WeakPolarHBondContact OG1-CA 3.41Å; T625-K666 HydrophobicContact CG2-CB 3.44Å; T625-K666 VanDerWaalsContact CG2-CB 3.44Å; T625-K666 HydrophobicContact CG2-CG 3.83Å
626S96.8Very high97.2Very high28 Ų2852.8 Ų52.820%0.19626%0.259CS..  trans-161.9138.8-176.3169.70000112.4D623 F628 A629 R630 M659D623-S626 VanDerWaalsContact O-O 3.13Å; S626-F628 PolarHBondContact O-N 2.93Å; S626-F628 VanDerWaalsContact O-N 3.07Å; S626-F628 PolarHBondContact OG-N 2.95Å; S626-A629 PolarHBondContact O-N 2.81Å; S626-A629 VanDerWaalsContact O-N 3.15Å; S626-R630 PolarHBondContact O-NH1 3.46Å; S626-M659 PolarHBondContact OG-SD 3Å
627R94.4Very high97.2Very high196 Ų19652.6 Ų52.674%0.7425%0.254SS*.THydrogen-bonded Turntrans-58-21.317468.3-174.5178.8-136.80.3114.8R630R627-R630 PolarHBondContact O-NH2 3.42Å
628F94.7Very high97.2Very high66 Ų6653.7 Ų53.729%0.28926%0.259SS..THydrogen-bonded Turntrans-105.7-12.4179.8-56.6-58.3000114S626 R630 M659 P831S626-F628 PolarHBondContact O-N 2.93Å; S626-F628 VanDerWaalsContact O-N 3.07Å; S626-F628 PolarHBondContact OG-N 2.95Å; F628-R630 PolarHBondContact O-N 2.92Å; F628-M659 HydrophobicContact CB-CE 4.04Å; F628-M659 HydrophobicContact CB-SD 3.9Å; F628-M659 HydrophobicContact CD2-CE 4.27Å; F628-P831 HydrophobicContact CD1-CB 4.3Å; F628-P831 HydrophobicContact CE1-CB 4.02Å; F628-P831 HydrophobicContact CE1-CG 4.23Å
629A94.9Very high97.2Very high0 Ų056 Ų560%028%0.278CS..  trans-73119.2175.800000108.8F622 S626 M659F622-A629 HydrophobicContact CD1-CB 4.19Å; F622-A629 HydrophobicContact CE1-CB 3.89Å; S626-A629 PolarHBondContact O-N 2.81Å; S626-A629 VanDerWaalsContact O-N 3.15Å; A629-M659 HydrophobicContact CB-CG 4.37Å; A629-M659 HydrophobicContact CB-SD 4.21Å
630R97.4Very high97.1Very high117 Ų11755.5 Ų55.544%0.44229%0.289SS..EExtended strand (participates in β ladder)trans-139.794.3178.2-65.5-63178.7-1036.7107.9D623 S626 R627 F628 Q632 S649 R650D623-R630 VanDerWaalsContact OD1-CA 3.28Å; D623-R630 WeakPolarHBondContact OD1-CA 3.45Å; D623-R630 WeakPolarHBondContact OD2-CD 3.27Å; S626-R630 PolarHBondContact O-NH1 3.46Å; R627-R630 PolarHBondContact O-NH2 3.42Å; F628-R630 PolarHBondContact O-N 2.92Å; R630-Q632 PolarHBondContact O-N 3.32Å; R630-S649 VanDerWaalsContact C-OG 3.23Å; R630-S649 PolarHBondContact N-OG 3.28Å; R630-S649 WeakPolarHBondContact O-CA 3.26Å; R630-S649 PolarHBondContact O-OG 3.44Å; R630-R650 PolarHBondContact O-N 2.93Å
631L98Very high97.1Very high5 Ų553.7 Ų53.73%0.02628%0.276CS..EExtended strand (participates in β ladder)trans-58.4127.7177.6-167.470.2000109.8F615 I618 K619 F622 D623 L634 F647 Q648F615-L631 HydrophobicContact CE2-CD2 3.89Å; F615-L631 HydrophobicContact CE2-CG 4.21Å; F615-L631 HydrophobicContact CZ-CD2 4.38Å; F615-L631 HydrophobicContact CZ-CG 4.44Å; I618-L631 HydrophobicContact CG2-CD2 4.33Å; K619-L631 HydrophobicContact CB-CB 4.45Å; K619-L631 HydrophobicContact CB-CD2 4.09Å; K619-L631 HydrophobicContact CG-CB 4.18Å; K619-L631 PolarHBondContact NZ-O 2.84Å; F622-L631 HydrophobicContact CB-CB 4.43Å; F622-L631 HydrophobicContact CB-CD2 4.33Å; F622-L631 HydrophobicContact CD1-CB 3.9Å; F622-L631 HydrophobicContact CD1-CD1 4.29Å; F622-L631 HydrophobicContact CD2-CD1 4.1Å; F622-L631 HydrophobicContact CE1-CB 4.41Å; F622-L631 HydrophobicContact CE1-CD1 4.35Å; F622-L631 HydrophobicContact CE2-CD1 4.16Å; F622-L631 HydrophobicContact CG-CB 4.19Å; F622-L631 HydrophobicContact CG-CD1 4.17Å; F622-L631 HydrophobicContact CG-CD2 4.48Å; F622-L631 HydrophobicContact CZ-CD1 4.29Å; D623-L631 PolarHBondContact OD1-N 3.07Å; L631-L634 HydrophobicContact CD1-CD2 4.23Å; L631-L634 HydrophobicContact CD2-CD2 4.07Å; L631-F647 HydrophobicContact CD1-CB 3.99Å; L631-F647 HydrophobicContact CD1-CD1 3.78Å; L631-F647 HydrophobicContact CD1-CG 4.38Å; L631-F647 HydrophobicContact CD2-CD1 4.33Å; L631-Q648 WeakPolarHBondContact CD1-O 3.42Å
632Q95.1Very high97.1Very high79 Ų7955 Ų5537%0.36928%0.282SS..EExtended strand (participates in β ladder)trans-104.4-52-174.3-69.5159.8-74.500111.5D586 R630 Q648 S649 R650D586-Q632 PolarHBondContact O-NE2 2.93Å; D586-Q632 PolarHBondContact O-OE1 3.22Å; R630-Q632 PolarHBondContact O-N 3.32Å; Q632-Q648 PolarHBondContact N-O 3.22Å; Q632-S649 VanDerWaalsContact OE1-CA 3.31Å; Q632-R650 VanDerWaalsContact OE1-N 3.13Å
633K90.3Very high97.1Very high82 Ų8255 Ų5536%0.35728%0.282SS..EExtended strand (participates in β ladder)trans-146.7157.3174.563.1173.8174.5175.80110.9Q648 E700K633-Q648 HydrophobicContact CG-CB 4.28Å; K633-Q648 PolarHBondContact O-N 2.97Å; K633-Q648 VanDerWaalsContact O-N 3.13Å; K633-E700 IonicContact NZ-OE2 3.65Å; K633-E700 PolarHBondContact NZ-OE2 3.41Å
634L97.8Very high97.2Very high28 Ų2856.8 Ų56.815%0.14729%0.287CS..EExtended strand (participates in β ladder)trans-100.2148.3157-60-179.2000108.3L609 F615 I618 L631 I645 R646 F647L609-L634 HydrophobicContact CB-CD1 4.25Å; L609-L634 HydrophobicContact CD2-CD1 3.85Å; F615-L634 HydrophobicContact CD2-CD1 4.16Å; F615-L634 HydrophobicContact CD2-CG 3.98Å; F615-L634 HydrophobicContact CE2-CG 4.07Å; I618-L634 HydrophobicContact CG2-CD1 4.25Å; L631-L634 HydrophobicContact CD1-CD2 4.23Å; L631-L634 HydrophobicContact CD2-CD2 4.07Å; L634-I645 HydrophobicContact CD1-CG2 4.37Å; L634-I645 HydrophobicContact CD2-CG2 4.09Å; L634-R646 WeakPolarHBondContact CA-O 2.96Å; L634-F647 HydrophobicContact CD2-CB 4.36Å; L634-F647 HydrophobicContact CD2-CD1 3.46Å; L634-F647 VanDerWaalsContact CD2-CD1 3.46Å; L634-F647 HydrophobicContact CD2-CD2 4.46Å; L634-F647 HydrophobicContact CD2-CE1 3.73Å; L634-F647 HydrophobicContact CD2-CG 3.85Å; L634-F647 HydrophobicContact CD2-CZ 4.34Å
635H98.4Very high97.2Very high63 Ų6352.9 Ų52.929%0.29226%0.26SS..EExtended strand (participates in β ladder)trans-130.1115.5165.1176.2101.9000107.9R646 Y687 E700H635-R646 HydrophobicContact CB-CB 4.2Å; H635-R646 PolarHBondContact N-O 3.04Å; H635-R646 VanDerWaalsContact O-CB 3.3Å; H635-R646 WeakPolarHBondContact O-CB 3.36Å; H635-R646 PolarHBondContact O-N 3.26Å; H635-Y687 AromaticContact CD2-CE1 3.99Å; H635-Y687 AromaticContact CD2-CZ 3.91Å; H635-Y687 PolarHBondContact CD2-OH 2.89Å; H635-Y687 PolarHBondContact NE2-OH 3.06Å; H635-Y687 VanDerWaalsContact NE2-OH 3.14Å; H635-E700 IonicContact CE1-OE1 3.79Å; H635-E700 IonicContact ND1-OE1 3.65Å; H635-E700 IonicContact ND1-OE2 2.82Å
636T98.4Very high97.2Very high17 Ų1752.2 Ų52.210%0.10426%0.255CS..EExtended strand (participates in β ladder)trans-116.8131.4-165.440.50000112.3K606 L609 L643 Y644 I645K606-T636 WeakPolarHBondContact CE-O 3.25Å; L609-T636 HydrophobicContact CD1-CG2 4.09Å; T636-L643 HydrophobicContact CG2-CD1 4.48Å; T636-Y644 WeakPolarHBondContact CA-O 3.44Å; T636-I645 HydrophobicContact CG2-CB 4.35Å; T636-I645 HydrophobicContact CG2-CG1 4.24Å; T636-I645 HydrophobicContact CG2-CG2 3.98Å
637S98.7Very high97.3Very high49 Ų4950.9 Ų50.934%0.34325%0.246SC..EExtended strand (participates in β ladder)trans-136.1142.3179.1-176.60000112Y644 Y687S637-Y644 PolarHBondContact N-O 2.87Å; S637-Y644 PolarHBondContact O-N 3.41Å; S637-Y687 VanDerWaalsContact CB-OH 3.22Å; S637-Y687 WeakPolarHBondContact CB-OH 3.42Å
638I98.4Very high97.5Very high59 Ų5942.2 Ų42.230%0.30321%0.214SC..EExtended strand (participates in β ladder)trans-109.9138.3-173.9-66.6169.9000110S602 A603 K606 G640 N642 L643S602-I638 WeakPolarHBondContact O-CD1 3.49Å; A603-I638 HydrophobicContact CB-CD1 4.17Å; K606-I638 HydrophobicContact CB-CD1 3.86Å; K606-I638 HydrophobicContact CB-CG1 4.46Å; K606-I638 HydrophobicContact CD-CD1 3.68Å; K606-I638 HydrophobicContact CD-CG1 4.09Å; K606-I638 HydrophobicContact CG-CD1 4.37Å; I638-G640 WeakPolarHBondContact CG2-O 3.47Å; I638-N642 WeakPolarHBondContact CA-O 3.28Å; I638-L643 HydrophobicContact CG1-CD1 3.74Å
639A98.1Very high97.7Very high48 Ų4839.1 Ų39.140%0.39720%0.2SC..EExtended strand (participates in β ladder)trans-128.193.2167.200000109.3R641 N642 Y644A639-R641 PolarHBondContact O-N 3.35Å; A639-R641 VanDerWaalsContact O-N 3.16Å; A639-N642 PolarHBondContact N-O 3.04Å; A639-N642 PolarHBondContact O-N 2.95Å; A639-Y644 HydrophobicContact CB-CE2 3.96Å
640G98.3Very high97.8Very high49 Ų4945.4 Ų45.451%0.50522%0.224SC..THydrogen-bonded Turntrans62.6-113.8-17200000110.9A599 S602 I638A599-G640 WeakPolarHBondContact CA-O 3.31Å; A599-G640 VanDerWaalsContact CB-O 3.29Å; A599-G640 WeakPolarHBondContact CB-O 3.44Å; S602-G640 PolarHBondContact OG-O 3.42Å; I638-G640 WeakPolarHBondContact CG2-O 3.47Å
641R98.2Very high97.8Very high108 Ų10840 Ų4041%0.40820%0.204SC..THydrogen-bonded Turntrans-97.62.2176.873.5-174-170.6110.9-11.8114.8R595 L596 P597 A639R595-R641 WeakPolarHBondContact CA-O 3.42Å; R595-R641 HydrophobicContact CG-CG 4.38Å; L596-R641 PolarHBondContact N-O 3.07Å; L596-R641 WeakPolarHBondContact O-CD 3.35Å; L596-R641 PolarHBondContact O-NH1 3.08Å; P597-R641 VanDerWaalsContact O-CD 3.26Å; P597-R641 WeakPolarHBondContact O-CD 3.5Å; A639-R641 PolarHBondContact O-N 3.35Å; A639-R641 VanDerWaalsContact O-N 3.16Å
642N98.8Very high97.7Very high35 Ų3540.1 Ų40.119%0.18721%0.207CC..EExtended strand (participates in β ladder)trans-92.6138.7172.4-59.1-27.8000109V593 V594 R595 I638 A639 Y644V593-N642 HydrophobicContact CG2-CB 4.09Å; V594-N642 CarbonylContact O-C 3.43Å; V594-N642 WeakPolarHBondContact O-CA 3.43Å; R595-N642 PolarHBondContact NE-OD1 3.33Å; I638-N642 WeakPolarHBondContact CA-O 3.28Å; A639-N642 PolarHBondContact N-O 3.04Å; A639-N642 PolarHBondContact O-N 2.95Å; N642-Y644 HydrophobicContact CB-CE2 4.36Å
643L98.8Very high97.9Very high0 Ų036.6 Ų36.60%019%0.191CC..EExtended strand (participates in β ladder)trans-120.5126.7175.3172.166.5000108.9V594 V605 K606 L609 T636 I638 I645V594-L643 HydrophobicContact CG2-CB 3.83Å; V594-L643 HydrophobicContact CG2-CD2 4.22Å; V594-L643 HydrophobicContact CG2-CG 4.24Å; V594-L643 PolarHBondContact N-O 2.99Å; V594-L643 PolarHBondContact O-N 3.45Å; V605-L643 HydrophobicContact CB-CD2 3.97Å; V605-L643 HydrophobicContact CG1-CD2 3.52Å; K606-L643 HydrophobicContact CB-CD1 4.18Å; L609-L643 HydrophobicContact CD1-CD2 4.16Å; T636-L643 HydrophobicContact CG2-CD1 4.48Å; I638-L643 HydrophobicContact CG1-CD1 3.74Å; L643-I645 HydrophobicContact CD2-CD1 4.07Å; L643-I645 HydrophobicContact CD2-CG1 4.06Å; L643-I645 HydrophobicContact CG-CD1 4.32Å; L643-I645 HydrophobicContact CG-CG1 3.84Å
644Y98.8Very high98.2Very high64 Ų6433.8 Ų33.825%0.25118%0.182SC..EExtended strand (participates in β ladder)trans-101.9126.9173.9-60.9-96000108.7P592 V593 T636 S637 A639 N642 G685 Y687P592-Y644 WeakPolarHBondContact O-CA 3.36Å; V593-Y644 HydrophobicContact CB-CD1 3.65Å; V593-Y644 HydrophobicContact CB-CE1 3.58Å; V593-Y644 HydrophobicContact CB-CG 4.42Å; V593-Y644 HydrophobicContact CG1-CE1 4.36Å; V593-Y644 HydrophobicContact CG2-CD1 3.8Å; V593-Y644 HydrophobicContact CG2-CD2 4.4Å; V593-Y644 HydrophobicContact CG2-CE1 3.51Å; V593-Y644 HydrophobicContact CG2-CE2 4.13Å; V593-Y644 HydrophobicContact CG2-CG 4.24Å; T636-Y644 WeakPolarHBondContact CA-O 3.44Å; S637-Y644 PolarHBondContact N-O 2.87Å; S637-Y644 PolarHBondContact O-N 3.41Å; A639-Y644 HydrophobicContact CB-CE2 3.96Å; N642-Y644 HydrophobicContact CB-CE2 4.36Å; Y644-G685 WeakPolarHBondContact CE1-O 3.45Å; Y644-Y687 HydrophobicContact CD1-CG 4.39Å; Y644-Y687 HydrophobicContact CG-CG 4.39Å
645I98.8Very high98.2Very high0 Ų034.2 Ų34.20%018%0.184CC..EExtended strand (participates in β ladder)trans-121.6102.6-173.5-50.5170.5000108G591 P592 V594 L609 L634 T636 L643 F647 L668 L671G591-I645 WeakPolarHBondContact CA-O 3.08Å; P592-I645 WeakPolarHBondContact CD-O 3.47Å; P592-I645 HydrophobicContact CG-CB 4.34Å; P592-I645 WeakPolarHBondContact CG-O 3.47Å; P592-I645 PolarHBondContact O-N 3Å; V594-I645 HydrophobicContact CG2-CD1 4.16Å; L609-I645 HydrophobicContact CD1-CD1 3.74Å; L609-I645 HydrophobicContact CD1-CG1 4.14Å; L609-I645 HydrophobicContact CD1-CG2 4.41Å; L634-I645 HydrophobicContact CD1-CG2 4.37Å; L634-I645 HydrophobicContact CD2-CG2 4.09Å; T636-I645 HydrophobicContact CG2-CB 4.35Å; T636-I645 HydrophobicContact CG2-CG1 4.24Å; T636-I645 HydrophobicContact CG2-CG2 3.98Å; L643-I645 HydrophobicContact CD2-CD1 4.07Å; L643-I645 HydrophobicContact CD2-CG1 4.06Å; L643-I645 HydrophobicContact CG-CD1 4.32Å; L643-I645 HydrophobicContact CG-CG1 3.84Å; I645-F647 HydrophobicContact CB-CD2 4.38Å; I645-F647 HydrophobicContact CB-CE2 3.85Å; I645-F647 HydrophobicContact CG2-CD2 3.92Å; I645-F647 HydrophobicContact CG2-CE2 3.42Å; I645-F647 VanDerWaalsContact CG2-CE2 3.42Å; I645-F647 HydrophobicContact CG2-CZ 3.83Å; I645-F647 WeakPolarHBondContact O-CD2 3.25Å; I645-F647 PolarHBondContact O-N 2.99Å; I645-L668 HydrophobicContact CD1-CD2 4.15Å; I645-L671 HydrophobicContact CD1-CD2 3.81Å
646R98.8Very high98Very high3 Ų331.6 Ų31.61%0.01117%0.174CC..EExtended strand (participates in β ladder)trans-84.397.7177.4-168.8179.9-164-118.87109.5T589 L634 H635 Y687 C688 N697 G701T589-R646 HydrophobicContact CG2-CG 4.4Å; L634-R646 WeakPolarHBondContact CA-O 2.96Å; H635-R646 HydrophobicContact CB-CB 4.2Å; H635-R646 PolarHBondContact N-O 3.04Å; H635-R646 VanDerWaalsContact O-CB 3.3Å; H635-R646 WeakPolarHBondContact O-CB 3.36Å; H635-R646 PolarHBondContact O-N 3.26Å; R646-Y687 HydrophobicContact CB-CD1 3.85Å; R646-Y687 HydrophobicContact CB-CE1 3.97Å; R646-C688 PolarHBondContact NE-O 2.79Å; R646-C688 PolarHBondContact NH2-O 2.86Å; R646-N697 PolarHBondContact NH2-OD1 2.83Å; R646-G701 PolarHBondContact NH1-O 3.23Å; R646-G701 VanDerWaalsContact NH1-O 3.15Å; R646-G701 PolarHBondContact NH2-O 3.09Å
647F98.8Very high97.7Very high0 Ų031.7 Ų31.70%017%0.174CC..EExtended strand (participates in β ladder)trans-72.4129.5169.7-66.2-100.7000109.1T589 R590 P592 I618 F622 L631 L634 I645 T664 A667 L668T589-F647 WeakPolarHBondContact CA-O 3.3Å; T589-F647 WeakPolarHBondContact CB-O 3.31Å; R590-F647 PolarHBondContact N-O 3.47Å; R590-F647 PolarHBondContact O-N 3.39Å; P592-F647 HydrophobicContact CG-CD2 4Å; P592-F647 HydrophobicContact CG-CE2 3.72Å; I618-F647 HydrophobicContact CG2-CE1 3.78Å; I618-F647 HydrophobicContact CG2-CZ 4.45Å; F622-F647 AromaticContact CD2-CD1 3.73Å; F622-F647 HydrophobicContact CD2-CD1 3.73Å; F622-F647 HydrophobicContact CD2-CE1 4.3Å; F622-F647 HydrophobicContact CD2-CG 4.5Å; F622-F647 HydrophobicContact CE2-CB 4.1Å; F622-F647 AromaticContact CE2-CD1 3.95Å; F622-F647 HydrophobicContact CE2-CD1 3.95Å; F622-F647 HydrophobicContact CE2-CG 4.29Å; L631-F647 HydrophobicContact CD1-CB 3.99Å; L631-F647 HydrophobicContact CD1-CD1 3.78Å; L631-F647 HydrophobicContact CD1-CG 4.38Å; L631-F647 HydrophobicContact CD2-CD1 4.33Å; L634-F647 HydrophobicContact CD2-CB 4.36Å; L634-F647 HydrophobicContact CD2-CD1 3.46Å; L634-F647 VanDerWaalsContact CD2-CD1 3.46Å; L634-F647 HydrophobicContact CD2-CD2 4.46Å; L634-F647 HydrophobicContact CD2-CE1 3.73Å; L634-F647 HydrophobicContact CD2-CG 3.85Å; L634-F647 HydrophobicContact CD2-CZ 4.34Å; I645-F647 HydrophobicContact CB-CD2 4.38Å; I645-F647 HydrophobicContact CB-CE2 3.85Å; I645-F647 HydrophobicContact CG2-CD2 3.92Å; I645-F647 HydrophobicContact CG2-CE2 3.42Å; I645-F647 VanDerWaalsContact CG2-CE2 3.42Å; I645-F647 HydrophobicContact CG2-CZ 3.83Å; I645-F647 WeakPolarHBondContact O-CD2 3.25Å; I645-F647 PolarHBondContact O-N 2.99Å; F647-T664 HydrophobicContact CD2-CG2 3.9Å; F647-T664 WeakPolarHBondContact CD2-OG1 3.16Å; F647-T664 HydrophobicContact CE2-CG2 3.88Å; F647-T664 WeakPolarHBondContact CG-OG1 3.25Å; F647-A667 HydrophobicContact CD1-CB 4.44Å; F647-A667 HydrophobicContact CE1-CB 3.55Å; F647-A667 HydrophobicContact CZ-CB 3.98Å; F647-L668 HydrophobicContact CE2-CD2 4.26Å; F647-L668 HydrophobicContact CZ-CD2 4.29Å
648Q98.6Very high97.5Very high15 Ų1536.1 Ų36.17%0.0719%0.193CC..EExtended strand (participates in β ladder)trans-123.4128.6171.5-171.417028.300111.3G587 M588 T589 L631 Q632 K633G587-Q648 PolarHBondContact O-NE2 2.93Å; M588-Q648 WeakPolarHBondContact O-CA 3.49Å; T589-Q648 HydrophobicContact CG2-CB 3.94Å; T589-Q648 HydrophobicContact CG2-CG 3.8Å; L631-Q648 WeakPolarHBondContact CD1-O 3.42Å; Q632-Q648 PolarHBondContact N-O 3.22Å; K633-Q648 HydrophobicContact CG-CB 4.28Å; K633-Q648 PolarHBondContact O-N 2.97Å; K633-Q648 VanDerWaalsContact O-N 3.13Å
649S98.3Very high97.4Very high0 Ų034.9 Ų34.90%019%0.187CC..EExtended strand (participates in β ladder)trans-147.6148.9-175.8170.50000112G587 M588 F622 R630 Q632G587-S649 CarbonylContact C-O 3.29Å; G587-S649 WeakPolarHBondContact CA-O 3.4Å; M588-S649 PolarHBondContact N-O 3.44Å; M588-S649 PolarHBondContact O-N 3.3Å; F622-S649 VanDerWaalsContact CE1-CB 3.49Å; F622-S649 WeakPolarHBondContact CE1-OG 3.45Å; R630-S649 VanDerWaalsContact C-OG 3.23Å; R630-S649 PolarHBondContact N-OG 3.28Å; R630-S649 WeakPolarHBondContact O-CA 3.26Å; R630-S649 PolarHBondContact O-OG 3.44Å; Q632-S649 VanDerWaalsContact OE1-CA 3.31Å
650R97.1Very high97.4Very high133 Ų13332.6 Ų32.650%0.50217%0.168SC..EExtended strand (participates in β ladder)trans-63.1158.9161.9-70-177.1177.2177.8-0.5110.9D586 R630 Q632D586-R650 WeakPolarHBondContact O-CG 3.43Å; R630-R650 PolarHBondContact O-N 2.93Å; Q632-R650 VanDerWaalsContact OE1-N 3.13Å
651S97.1Very high97.4Very high2 Ų231.2 Ų31.21%0.01415%0.15CC..  trans-137.411.1-17751.40000113.7A654 M659S651-A654 VanDerWaalsContact CB-O 3.3Å; S651-A654 WeakPolarHBondContact CB-O 3.49Å; S651-A654 PolarHBondContact O-N 3.01Å; S651-A654 PolarHBondContact OG-O 2.82Å; S651-M659 WeakPolarHBondContact O-CE 3.2Å
652G96.6Very high97.4Very high8 Ų831.8 Ų31.88%0.08216%0.156CC..THydrogen-bonded Turntrans62.9-139.8-167.800000110.9A654 G832G652-A654 VanDerWaalsContact C-N 3.32Å; G652-G832 WeakPolarHBondContact O-CA 3.33Å
653D98.2Very high97.3Very high6 Ų630.1 Ų30.13%0.03215%0.147CC..THydrogen-bonded Turntrans-80.6-8.3178.7-67.9-67.5000114.2G803 T804 V805 A826 C827 G832 E833 N834 A835D653-G803 CarbonylContact O-C 3.51Å; D653-G803 WeakPolarHBondContact O-CA 3.29Å; D653-T804 PolarHBondContact O-N 3.25Å; D653-V805 HydrophobicContact CB-CG2 4.04Å; D653-A826 HydrophobicContact CB-CB 4.39Å; D653-A826 WeakPolarHBondContact OD2-CA 3.44Å; D653-C827 PolarHBondContact OD2-N 2.8Å; D653-G832 VanDerWaalsContact CG-CA 3.41Å; D653-G832 WeakPolarHBondContact OD1-CA 3.23Å; D653-G832 PolarHBondContact OD1-N 3.19Å; D653-G832 PolarHBondContact OD2-N 2.95Å; D653-E833 PolarHBondContact OD1-N 3.41Å; D653-N834 WeakPolarHBondContact OD1-CB 3.44Å; D653-N834 PolarHBondContact OD1-N 3.39Å; D653-A835 PolarHBondContact OD1-N 2.97Å; D653-A835 VanDerWaalsContact OD1-N 3.14Å
654A97.9Very high97.3Very high22 Ų2230.1 Ų30.118%0.18215%0.147CC..BIsolated β-bridgetrans-78.3143.9173.500000110.7S651 G652 G656 M659S651-A654 VanDerWaalsContact CB-O 3.3Å; S651-A654 WeakPolarHBondContact CB-O 3.49Å; S651-A654 PolarHBondContact O-N 3.01Å; S651-A654 PolarHBondContact OG-O 2.82Å; G652-A654 VanDerWaalsContact C-N 3.32Å; A654-G656 PolarHBondContact O-N 2.83Å; A654-G656 VanDerWaalsContact O-N 3.13Å; A654-M659 HydrophobicContact CB-CE 4.38Å
655M97.6Very high97.3Very high37 Ų3732.2 Ų32.218%0.18216%0.159CC..  trans-56.9-28.9171.3177.2-84.2-77.300111.5M588 M657 D767 Q770 I802M588-M655 HydrophobicContact CE-CG 4.14Å; M588-M655 WeakPolarHBondContact CE-O 3.25Å; M588-M655 HydrophobicContact CE-SD 3.88Å; M588-M655 WeakPolarHBondContact CG-O 3.25Å; M655-M657 HydrophobicContact CE-CB 4Å; M655-M657 HydrophobicContact CE-CG 3.88Å; M655-M657 HydrophobicContact SD-CB 3.79Å; M655-M657 HydrophobicContact SD-CG 3.29Å; M655-M657 WeakPolarHBondContact SD-CG 3.43Å; M655-D767 HydrophobicContact CE-CB 4.46Å; M655-Q770 VanDerWaalsContact CE-OE1 3.28Å; M655-Q770 PolarHBondContact SD-OE1 3.05Å; M655-I802 WeakPolarHBondContact CA-O 3.47Å
656G93.6Very high97.3Very high8 Ų836.7 Ų36.78%0.08218%0.178CC..  trans99.8-13.7154.500000116.5A654 N658 M659 I660A654-G656 PolarHBondContact O-N 2.83Å; A654-G656 VanDerWaalsContact O-N 3.13Å; G656-N658 VanDerWaalsContact C-N 3.33Å; G656-N658 PolarHBondContact O-N 3.08Å; G656-N658 VanDerWaalsContact O-N 3.08Å; G656-M659 WeakPolarHBondContact O-CA 3.4Å; G656-M659 VanDerWaalsContact O-CB 3.26Å; G656-M659 WeakPolarHBondContact O-CB 3.25Å; G656-M659 PolarHBondContact O-N 2.72Å; G656-I660 WeakPolarHBondContact O-CG1 3.28Å; G656-I660 PolarHBondContact O-N 3.17Å
657M93.3Very high97.3Very high19 Ų1936.5 Ų36.59%0.09418%0.178CC..Hα-helixtrans-48.7-42.4-171-86-81.8-77.600116.2M588 R590 M655 S661 D690 R702M588-M657 HydrophobicContact CG-CG 4.38Å; M588-M657 HydrophobicContact SD-CG 4.11Å; M588-M657 HydrophobicContact SD-SD 4.16Å; R590-M657 VanDerWaalsContact NH2-CE 3.28Å; R590-M657 PolarHBondContact NH2-O 3.45Å; R590-M657 VanDerWaalsContact NH2-O 3.11Å; R590-M657 PolarHBondContact NH2-SD 3.47Å; M655-M657 HydrophobicContact CE-CB 4Å; M655-M657 HydrophobicContact CE-CG 3.88Å; M655-M657 HydrophobicContact SD-CB 3.79Å; M655-M657 HydrophobicContact SD-CG 3.29Å; M655-M657 WeakPolarHBondContact SD-CG 3.43Å; M657-S661 PolarHBondContact O-N 3.04Å; M657-S661 VanDerWaalsContact O-N 3.07Å; M657-S661 PolarHBondContact O-OG 2.9Å; M657-S661 VanDerWaalsContact O-OG 3.12Å; M657-D690 HydrophobicContact CE-CB 3.89Å; M657-D690 VanDerWaalsContact CE-OD1 3.25Å; M657-D690 WeakPolarHBondContact CE-OD1 3.46Å; M657-D690 WeakPolarHBondContact CE-OD2 3.47Å; M657-R702 PolarHBondContact SD-NH2 3.18Å
658N94.2Very high97.3Very high142 Ų14236.7 Ų36.776%0.75918%0.179SC*.Hα-helixtrans-73.1-34.7177.1-64.6-0.9000112.3G656 K662G656-N658 VanDerWaalsContact C-N 3.33Å; G656-N658 PolarHBondContact O-N 3.08Å; G656-N658 VanDerWaalsContact O-N 3.08Å; N658-K662 PolarHBondContact O-N 3.33Å; N658-K662 VanDerWaalsContact O-N 3.12Å
659M96.3Very high97.3Very high34 Ų3438.6 Ų38.617%0.16719%0.194CC..Hα-helixtrans-66.6-43.3176.1-167.3-169-51.800111S626 F628 A629 S651 A654 G656 K662 G663S626-M659 PolarHBondContact OG-SD 3Å; F628-M659 HydrophobicContact CB-CE 4.04Å; F628-M659 HydrophobicContact CB-SD 3.9Å; F628-M659 HydrophobicContact CD2-CE 4.27Å; A629-M659 HydrophobicContact CB-CG 4.37Å; A629-M659 HydrophobicContact CB-SD 4.21Å; S651-M659 WeakPolarHBondContact O-CE 3.2Å; A654-M659 HydrophobicContact CB-CE 4.38Å; G656-M659 WeakPolarHBondContact O-CA 3.4Å; G656-M659 VanDerWaalsContact O-CB 3.26Å; G656-M659 WeakPolarHBondContact O-CB 3.25Å; G656-M659 PolarHBondContact O-N 2.72Å; M659-K662 PolarHBondContact O-N 3.28Å; M659-G663 PolarHBondContact O-N 2.99Å
660I97.4Very high97.3Very high0 Ų041.2 Ų41.20%021%0.205CC..Hα-helixtrans-71.8-36.4179.7-48-41.7000110.6M588 R590 F622 G656 G663 T664M588-I660 HydrophobicContact CB-CG1 3.94Å; M588-I660 HydrophobicContact CG-CG1 3.84Å; R590-I660 HydrophobicContact CB-CB 4.45Å; R590-I660 HydrophobicContact CB-CG2 3.66Å; F622-I660 HydrophobicContact CE2-CG2 4.24Å; F622-I660 HydrophobicContact CZ-CB 4.45Å; F622-I660 HydrophobicContact CZ-CD1 4.26Å; F622-I660 HydrophobicContact CZ-CG2 3.83Å; G656-I660 WeakPolarHBondContact O-CG1 3.28Å; G656-I660 PolarHBondContact O-N 3.17Å; I660-G663 PolarHBondContact O-N 3.37Å; I660-T664 WeakPolarHBondContact O-CB 3.35Å; I660-T664 PolarHBondContact O-N 3.07Å; I660-T664 PolarHBondContact O-OG1 3.26Å
661S97.5Very high97.3Very high19 Ų1934.9 Ų34.913%0.13318%0.181CC..Hα-helixtrans-55.6-53.7169.4-66.60000112.1R590 M657 G663 T664 E665R590-S661 VanDerWaalsContact CZ-OG 3.27Å; R590-S661 PolarHBondContact NE-OG 3.5Å; R590-S661 PolarHBondContact NH2-OG 3.42Å; M657-S661 PolarHBondContact O-N 3.04Å; M657-S661 VanDerWaalsContact O-N 3.07Å; M657-S661 PolarHBondContact O-OG 2.9Å; M657-S661 VanDerWaalsContact O-OG 3.12Å; S661-G663 VanDerWaalsContact C-N 3.32Å; S661-G663 PolarHBondContact O-N 3.48Å; S661-T664 CarbonylContact O-C 3.58Å; S661-T664 WeakPolarHBondContact O-CB 3.49Å; S661-T664 PolarHBondContact O-N 2.9Å; S661-T664 VanDerWaalsContact O-N 3.08Å; S661-E665 WeakPolarHBondContact O-CG 3.41Å; S661-E665 PolarHBondContact O-N 3.49Å
662K98.1Very high97.4Very high120 Ų12038.6 Ų38.652%0.52220%0.198SC..Hα-helixtrans-58.3-42.9-179.7-172.1-168.1176.2-1630112.2T625 N658 M659 E665 K666T625-K662 HydrophobicContact CG2-CG 4.44Å; T625-K662 PolarHBondContact O-NZ 3.38Å; N658-K662 PolarHBondContact O-N 3.33Å; N658-K662 VanDerWaalsContact O-N 3.12Å; M659-K662 PolarHBondContact O-N 3.28Å; K662-E665 PolarHBondContact O-N 2.9Å; K662-K666 PolarHBondContact O-N 2.89Å; K662-K666 VanDerWaalsContact O-N 3.16Å
663G98.3Very high97.5Very high0 Ų043.5 Ų43.50%022%0.219CC..Hα-helixtrans-59.6-48173.500000112.1F622 T625 M659 I660 S661 K666 A667F622-G663 WeakPolarHBondContact CD2-O 3.5Å; F622-G663 VanDerWaalsContact CE2-C 3.43Å; T625-G663 WeakPolarHBondContact OG1-CA 3.41Å; M659-G663 PolarHBondContact O-N 2.99Å; I660-G663 PolarHBondContact O-N 3.37Å; S661-G663 VanDerWaalsContact C-N 3.32Å; S661-G663 PolarHBondContact O-N 3.48Å; G663-K666 PolarHBondContact O-N 2.95Å; G663-A667 VanDerWaalsContact O-CB 3.26Å; G663-A667 WeakPolarHBondContact O-CB 3.31Å; G663-A667 PolarHBondContact O-N 3.2Å
664T98.6Very high97.5Very high0 Ų048.7 Ų48.70%024%0.239CC..Hα-helixtrans-61.9-42.9176.9-720000112.2R590 P592 F622 F647 I660 S661 K666 A667 L668 V683R590-T664 HydrophobicContact CG-CG2 3.99Å; P592-T664 HydrophobicContact CB-CG2 4.33Å; P592-T664 HydrophobicContact CG-CG2 3.73Å; F622-T664 VanDerWaalsContact CE2-N 3.35Å; F647-T664 HydrophobicContact CD2-CG2 3.9Å; F647-T664 WeakPolarHBondContact CD2-OG1 3.16Å; F647-T664 HydrophobicContact CE2-CG2 3.88Å; F647-T664 WeakPolarHBondContact CG-OG1 3.25Å; I660-T664 WeakPolarHBondContact O-CB 3.35Å; I660-T664 PolarHBondContact O-N 3.07Å; I660-T664 PolarHBondContact O-OG1 3.26Å; S661-T664 CarbonylContact O-C 3.58Å; S661-T664 WeakPolarHBondContact O-CB 3.49Å; S661-T664 PolarHBondContact O-N 2.9Å; S661-T664 VanDerWaalsContact O-N 3.08Å; T664-K666 PolarHBondContact O-N 2.94Å; T664-A667 PolarHBondContact O-N 2.9Å; T664-L668 HydrophobicContact CG2-CD1 3.74Å; T664-L668 HydrophobicContact CG2-CG 4.04Å; T664-L668 WeakPolarHBondContact O-CB 3.33Å; T664-L668 VanDerWaalsContact O-CG 3.25Å; T664-L668 WeakPolarHBondContact O-CG 3.44Å; T664-L668 PolarHBondContact O-N 3.12Å; T664-V683 HydrophobicContact CG2-CG2 4.04Å
665E98.3Very high97.5Very high108 Ų10849 Ų4951%0.50524%0.236SC..Hα-helixtrans-60.9-44.5178-72.9164.7-125.900111.5S661 K662 S669 V683S661-E665 WeakPolarHBondContact O-CG 3.41Å; S661-E665 PolarHBondContact O-N 3.49Å; K662-E665 PolarHBondContact O-N 2.9Å; E665-S669 WeakPolarHBondContact O-CB 3.37Å; E665-S669 PolarHBondContact O-N 3.36Å; E665-V683 HydrophobicContact CG-CG2 3.82Å
666K98.6Very high97.5Very high94 Ų9451.8 Ų51.841%0.40926%0.257SS..Hα-helixtrans-67.7-37.3176.2-172.655.8176.2169.20112.5A621 T625 K662 G663 T664 S669 K670A621-K666 VanDerWaalsContact O-CG 3.28Å; A621-K666 WeakPolarHBondContact O-CG 3.34Å; T625-K666 HydrophobicContact CG2-CB 3.44Å; T625-K666 VanDerWaalsContact CG2-CB 3.44Å; T625-K666 HydrophobicContact CG2-CG 3.83Å; K662-K666 PolarHBondContact O-N 2.89Å; K662-K666 VanDerWaalsContact O-N 3.16Å; G663-K666 PolarHBondContact O-N 2.95Å; T664-K666 PolarHBondContact O-N 2.94Å; K666-S669 PolarHBondContact O-N 3.42Å; K666-K670 PolarHBondContact O-N 2.94Å
667A98.6Very high97.8Very high0 Ų057.7 Ų57.70%028%0.283CS..Hα-helixtrans-66.6-43175.900000112.9I618 F622 F647 G663 T664 K670 L671I618-A667 WeakPolarHBondContact CD1-O 3.36Å; I618-A667 HydrophobicContact CG2-CB 4.15Å; F622-A667 HydrophobicContact CB-CB 4.19Å; F622-A667 HydrophobicContact CD2-CB 4.2Å; F647-A667 HydrophobicContact CD1-CB 4.44Å; F647-A667 HydrophobicContact CE1-CB 3.55Å; F647-A667 HydrophobicContact CZ-CB 3.98Å; G663-A667 VanDerWaalsContact O-CB 3.26Å; G663-A667 WeakPolarHBondContact O-CB 3.31Å; G663-A667 PolarHBondContact O-N 3.2Å; T664-A667 PolarHBondContact O-N 2.9Å; A667-K670 PolarHBondContact O-N 3.35Å; A667-L671 PolarHBondContact O-N 2.74Å
668L98.6Very high98Very high3 Ų356.8 Ų56.82%0.01628%0.278CS..Hα-helixtrans-67.6-37.5174.9-68.8175.4000111.8P592 V594 I645 F647 T664 K670 L671 H672 I680P592-L668 HydrophobicContact CB-CD1 3.75Å; P592-L668 HydrophobicContact CG-CD1 3.97Å; P592-L668 HydrophobicContact CG-CD2 4.25Å; P592-L668 HydrophobicContact CG-CG 4.48Å; V594-L668 HydrophobicContact CG1-CD2 3.8Å; I645-L668 HydrophobicContact CD1-CD2 4.15Å; F647-L668 HydrophobicContact CE2-CD2 4.26Å; F647-L668 HydrophobicContact CZ-CD2 4.29Å; T664-L668 HydrophobicContact CG2-CD1 3.74Å; T664-L668 HydrophobicContact CG2-CG 4.04Å; T664-L668 WeakPolarHBondContact O-CB 3.33Å; T664-L668 VanDerWaalsContact O-CG 3.25Å; T664-L668 WeakPolarHBondContact O-CG 3.44Å; T664-L668 PolarHBondContact O-N 3.12Å; L668-K670 VanDerWaalsContact C-N 3.31Å; L668-K670 PolarHBondContact O-N 3.1Å; L668-L671 HydrophobicContact CD2-CD2 4.49Å; L668-L671 PolarHBondContact O-N 2.77Å; L668-H672 PolarHBondContact O-N 3.41Å; L668-I680 HydrophobicContact CB-CD1 3.72Å; L668-I680 HydrophobicContact CB-CG1 4.28Å; L668-I680 HydrophobicContact CD1-CG2 4.07Å
669S98.5Very high98.2Very high56 Ų5655.1 Ų55.139%0.39227%0.266SS..Hα-helixtrans-59.1-42.1170.8169.50000111.5E665 K666 H672 E673E665-S669 WeakPolarHBondContact O-CB 3.37Å; E665-S669 PolarHBondContact O-N 3.36Å; K666-S669 PolarHBondContact O-N 3.42Å; S669-H672 PolarHBondContact O-N 2.99Å; S669-E673 PolarHBondContact O-N 3.18Å
670K98.6Very high98.3Very high54 Ų5456.8 Ų56.824%0.23528%0.275CS..Hα-helixtrans-66.4-41.4173.8179.357.259.9-176.40112.1V617 I618 A621 K666 A667 L668 H672 E673 Y674V617-K670 HydrophobicContact CG1-CD 3.99Å; V617-K670 HydrophobicContact CG1-CG 3.75Å; I618-K670 HydrophobicContact CD1-CB 4.49Å; I618-K670 HydrophobicContact CD1-CG 4.41Å; A621-K670 HydrophobicContact CB-CB 3.61Å; A621-K670 HydrophobicContact CB-CG 3.88Å; K666-K670 PolarHBondContact O-N 2.94Å; A667-K670 PolarHBondContact O-N 3.35Å; L668-K670 VanDerWaalsContact C-N 3.31Å; L668-K670 PolarHBondContact O-N 3.1Å; K670-H672 VanDerWaalsContact C-N 3.28Å; K670-H672 PolarHBondContact O-N 2.97Å; K670-E673 WeakPolarHBondContact CE-OE1 3.37Å; K670-E673 IonicContact NZ-OE1 2.66Å; K670-E673 PolarHBondContact NZ-OE1 3.41Å; K670-E673 IonicContact NZ-OE2 3.1Å; K670-E673 PolarHBondContact NZ-OE2 2.9Å; K670-E673 WeakPolarHBondContact O-CB 3.42Å; K670-E673 PolarHBondContact O-N 3.19Å; K670-Y674 HydrophobicContact CD-CE2 3.96Å; K670-Y674 HydrophobicContact CG-CE2 4.48Å; K670-Y674 WeakPolarHBondContact O-CD2 3.35Å
671L98.4Very high98.3Very high0 Ų059.9 Ų59.90%029%0.291CS..Hα-helixtrans-61.5-36177.7-171.760.6000112.4V605 W608 L609 I618 I645 A667 L668 E673 Y674 F675 M678V605-L671 HydrophobicContact CG1-CD1 4.25Å; V605-L671 HydrophobicContact CG1-CD2 4.13Å; V605-L671 HydrophobicContact CG1-CG 4.49Å; W608-L671 HydrophobicContact CE3-CD1 3.85Å; W608-L671 HydrophobicContact CH2-CD1 4.43Å; W608-L671 HydrophobicContact CZ3-CD1 3.54Å; L609-L671 HydrophobicContact CD1-CD2 4.2Å; L609-L671 HydrophobicContact CD2-CD1 3.94Å; L609-L671 HydrophobicContact CD2-CD2 4.29Å; L609-L671 HydrophobicContact CG-CD1 4.4Å; I618-L671 HydrophobicContact CD1-CB 3.78Å; I618-L671 HydrophobicContact CD1-CD1 4.1Å; I618-L671 HydrophobicContact CD1-CG 4.47Å; I645-L671 HydrophobicContact CD1-CD2 3.81Å; A667-L671 PolarHBondContact O-N 2.74Å; L668-L671 HydrophobicContact CD2-CD2 4.49Å; L668-L671 PolarHBondContact O-N 2.77Å; L671-E673 VanDerWaalsContact C-N 3.26Å; L671-E673 PolarHBondContact O-N 3.23Å; L671-Y674 PolarHBondContact O-N 2.79Å; L671-F675 HydrophobicContact CD1-CD2 3.76Å; L671-F675 HydrophobicContact CD1-CE2 3.99Å; L671-F675 HydrophobicContact CG-CD2 4.35Å; L671-F675 PolarHBondContact O-N 2.86Å; L671-M678 HydrophobicContact CB-CE 3.96Å; L671-M678 HydrophobicContact CB-SD 4.5Å; L671-M678 HydrophobicContact CD2-CE 4.05Å; L671-M678 HydrophobicContact CD2-SD 3.56Å; L671-M678 VanDerWaalsContact CD2-SD 3.56Å; L671-M678 HydrophobicContact CG-CE 3.9Å; L671-M678 HydrophobicContact CG-SD 3.8Å
672H98.3Very high98.4Very high80 Ų8060.9 Ų60.937%0.3730%0.3SS..Hα-helixtrans-66.8-22.7174.9-168.7-49.5000113L668 S669 K670 Y674 F675 P676 M678L668-H672 PolarHBondContact O-N 3.41Å; S669-H672 PolarHBondContact O-N 2.99Å; K670-H672 VanDerWaalsContact C-N 3.28Å; K670-H672 PolarHBondContact O-N 2.97Å; H672-Y674 VanDerWaalsContact C-N 3.31Å; H672-F675 CarbonylContact O-C 3.47Å; H672-P676 WeakPolarHBondContact O-CA 3.45Å; H672-M678 HydrophobicContact CB-CE 3.96Å; H672-M678 PolarHBondContact CD2-O 3.13Å
673E98.4Very high98.3Very high111 Ų11157.5 Ų57.552%0.51929%0.29SS..Hα-helixtrans-69.5-30.1173-61.4171.5-128.900111.9S669 K670 L671S669-E673 PolarHBondContact O-N 3.18Å; K670-E673 WeakPolarHBondContact CE-OE1 3.37Å; K670-E673 IonicContact NZ-OE1 2.66Å; K670-E673 PolarHBondContact NZ-OE1 3.41Å; K670-E673 IonicContact NZ-OE2 3.1Å; K670-E673 PolarHBondContact NZ-OE2 2.9Å; K670-E673 WeakPolarHBondContact O-CB 3.42Å; K670-E673 PolarHBondContact O-N 3.19Å; L671-E673 VanDerWaalsContact C-N 3.26Å; L671-E673 PolarHBondContact O-N 3.23Å
674Y98.2Very high98.3Very high116 Ų11659.4 Ų59.446%0.45530%0.303SS..Hα-helixtrans-86.7-37.3175.3-71.3-96.6000112.3W608 V617 K670 L671 H672 P676W608-Y674 HydrophobicContact CH2-CD1 4.46Å; W608-Y674 HydrophobicContact CH2-CD2 4.11Å; W608-Y674 HydrophobicContact CH2-CE2 4.32Å; W608-Y674 HydrophobicContact CH2-CG 4.2Å; W608-Y674 AromaticContact CZ2-CD1 3.71Å; W608-Y674 HydrophobicContact CZ2-CD1 3.71Å; W608-Y674 HydrophobicContact CZ2-CD2 4.15Å; W608-Y674 AromaticContact CZ2-CE1 3.85Å; W608-Y674 HydrophobicContact CZ2-CE1 3.85Å; W608-Y674 HydrophobicContact CZ2-CE2 4.29Å; W608-Y674 AromaticContact CZ2-CG 3.87Å; W608-Y674 HydrophobicContact CZ2-CG 3.87Å; V617-Y674 HydrophobicContact CG1-CE2 3.75Å; K670-Y674 HydrophobicContact CD-CE2 3.96Å; K670-Y674 HydrophobicContact CG-CE2 4.48Å; K670-Y674 WeakPolarHBondContact O-CD2 3.35Å; L671-Y674 PolarHBondContact O-N 2.79Å; H672-Y674 VanDerWaalsContact C-N 3.31Å; Y674-P676 WeakPolarHBondContact O-CD 3.33Å
675F98.3Very high98.2Very high28 Ų2860.2 Ų60.212%0.12331%0.311CS..  trans-122.178.9-177-59.4-79.6000110.6E604 V605 W608 L671 H672 E677 M678E604-F675 HydrophobicContact CG-CE1 4.3Å; V605-F675 HydrophobicContact CG1-CD2 4.37Å; V605-F675 HydrophobicContact CG1-CE2 4.42Å; V605-F675 HydrophobicContact CG2-CB 4.19Å; V605-F675 HydrophobicContact CG2-CD1 3.58Å; V605-F675 HydrophobicContact CG2-CD2 3.83Å; V605-F675 HydrophobicContact CG2-CE1 3.82Å; V605-F675 HydrophobicContact CG2-CE2 4.06Å; V605-F675 HydrophobicContact CG2-CG 3.58Å; V605-F675 HydrophobicContact CG2-CZ 4.05Å; W608-F675 HydrophobicContact CB-CE2 4.22Å; W608-F675 HydrophobicContact CB-CZ 3.86Å; W608-F675 AromaticContact CD2-CE2 3.81Å; W608-F675 HydrophobicContact CD2-CE2 3.81Å; W608-F675 HydrophobicContact CD2-CZ 4.17Å; W608-F675 AromaticContact CE3-CE2 3.94Å; W608-F675 HydrophobicContact CE3-CE2 3.94Å; W608-F675 AromaticContact CG-CE2 3.94Å; W608-F675 HydrophobicContact CG-CE2 3.94Å; W608-F675 AromaticContact CG-CZ 3.8Å; W608-F675 HydrophobicContact CG-CZ 3.8Å; L671-F675 HydrophobicContact CD1-CD2 3.76Å; L671-F675 HydrophobicContact CD1-CE2 3.99Å; L671-F675 HydrophobicContact CG-CD2 4.35Å; L671-F675 PolarHBondContact O-N 2.86Å; H672-F675 CarbonylContact O-C 3.47Å; F675-E677 PolarHBondContact O-N 3.11Å; F675-E677 VanDerWaalsContact O-N 3.17Å; F675-M678 HydrophobicContact CB-CB 4.13Å; F675-M678 WeakPolarHBondContact O-CB 3.35Å; F675-M678 PolarHBondContact O-N 2.95Å
676P98.4Very high98.2Very high96 Ų9659.4 Ų59.462%0.62331%0.31SS*.THydrogen-bonded Turntrans-68-14.3-173.627-35.7000114.6H672 Y674 M678H672-P676 WeakPolarHBondContact O-CA 3.45Å; Y674-P676 WeakPolarHBondContact O-CD 3.33Å; P676-M678 VanDerWaalsContact C-N 3.29Å
677E97.9Very high98.2Very high131 Ų13157 Ų5761%0.61230%0.299SS*.THydrogen-bonded Turntrans-82.7-1.9171.5-57.9-166.7115.800113.4P597 F675 Q679P597-E677 HydrophobicContact CG-CB 3.86Å; P597-E677 HydrophobicContact CG-CG 4.42Å; F675-E677 PolarHBondContact O-N 3.11Å; F675-E677 VanDerWaalsContact O-N 3.17Å; E677-Q679 PolarHBondContact O-N 2.91Å
678M98.5Very high98.1Very high1 Ų157 Ų571%0.00530%0.299CS..  trans-81.1102-178.7-175.6-166.165.600112.1V594 R595 L596 L671 H672 F675 P676 I680V594-M678 HydrophobicContact CB-CG 3.79Å; V594-M678 HydrophobicContact CB-SD 3.85Å; V594-M678 HydrophobicContact CG1-CE 4.45Å; V594-M678 HydrophobicContact CG1-CG 4.38Å; V594-M678 HydrophobicContact CG1-SD 3.94Å; V594-M678 HydrophobicContact CG2-CG 3.94Å; V594-M678 HydrophobicContact CG2-SD 3.72Å; R595-M678 CarbonylContact O-C 3.36Å; L596-M678 HydrophobicContact CD1-CB 4.31Å; L596-M678 HydrophobicContact CD1-CG 3.93Å; L596-M678 HydrophobicContact CG-CB 4.18Å; L596-M678 HydrophobicContact CG-CG 4.33Å; L671-M678 HydrophobicContact CB-CE 3.96Å; L671-M678 HydrophobicContact CB-SD 4.5Å; L671-M678 HydrophobicContact CD2-CE 4.05Å; L671-M678 HydrophobicContact CD2-SD 3.56Å; L671-M678 VanDerWaalsContact CD2-SD 3.56Å; L671-M678 HydrophobicContact CG-CE 3.9Å; L671-M678 HydrophobicContact CG-SD 3.8Å; H672-M678 HydrophobicContact CB-CE 3.96Å; H672-M678 PolarHBondContact CD2-O 3.13Å; F675-M678 HydrophobicContact CB-CB 4.13Å; F675-M678 WeakPolarHBondContact O-CB 3.35Å; F675-M678 PolarHBondContact O-N 2.95Å; P676-M678 VanDerWaalsContact C-N 3.29Å; M678-I680 HydrophobicContact CE-CG1 4.15Å; M678-I680 PolarHBondContact O-N 3.44Å
679Q98.3Very high98.1Very high106 Ų10657.5 Ų57.550%0.49530%0.302SS..EExtended strand (participates in β ladder)trans-72.7117.4169.8-172.2178.837.700111V594 R595 E677 L681V594-Q679 CarbonylContact C-O 3.54Å; V594-Q679 WeakPolarHBondContact CA-O 3.35Å; R595-Q679 HydrophobicContact CB-CB 4.44Å; R595-Q679 PolarHBondContact N-O 3.08Å; R595-Q679 PolarHBondContact O-N 2.87Å; E677-Q679 PolarHBondContact O-N 2.91Å; Q679-L681 HydrophobicContact CG-CD2 3.92Å; Q679-L681 PolarHBondContact O-N 3.48Å; Q679-L681 VanDerWaalsContact OE1-CD2 3.31Å
680I98.6Very high98.1Very high70 Ų7055.7 Ų55.736%0.35929%0.288SS..EExtended strand (participates in β ladder)trans-74.4116.1164.7-57.2165.8000107.8V594 L668 M678V594-I680 HydrophobicContact CG1-CG1 4.26Å; L668-I680 HydrophobicContact CB-CD1 3.72Å; L668-I680 HydrophobicContact CB-CG1 4.28Å; L668-I680 HydrophobicContact CD1-CG2 4.07Å; M678-I680 HydrophobicContact CE-CG1 4.15Å; M678-I680 PolarHBondContact O-N 3.44Å
681L98.2Very high98.1Very high64 Ų6456.6 Ų56.634%0.33529%0.292SS..EExtended strand (participates in β ladder)trans-89.9-45179.5-60.4175.8000112.1V593 R595 Q679V593-L681 HydrophobicContact CG1-CB 4.15Å; V593-L681 HydrophobicContact CG1-CD1 4.41Å; V593-L681 HydrophobicContact CG2-CD1 4.36Å; V593-L681 WeakPolarHBondContact O-CB 3.27Å; V593-L681 PolarHBondContact O-N 2.9Å; V593-L681 VanDerWaalsContact O-N 3.15Å; R595-L681 HydrophobicContact CB-CD1 3.87Å; R595-L681 HydrophobicContact CB-CD2 4.29Å; R595-L681 HydrophobicContact CB-CG 3.99Å; Q679-L681 HydrophobicContact CG-CD2 3.92Å; Q679-L681 PolarHBondContact O-N 3.48Å; Q679-L681 VanDerWaalsContact OE1-CD2 3.31Å
682A97.9Very high98Very high40 Ų4060.5 Ų60.533%0.33131%0.309SS..EExtended strand (participates in β ladder)trans-157.4137.6178.500000110.9P592 V593 S684P592-A682 VanDerWaalsContact CA-O 3.24Å; P592-A682 WeakPolarHBondContact CA-O 3.29Å; P592-A682 WeakPolarHBondContact CB-O 3.48Å; V593-A682 HydrophobicContact CG1-CB 4.33Å; V593-A682 PolarHBondContact N-O 3.07Å; V593-A682 PolarHBondContact O-N 3.15Å; A682-S684 PolarHBondContact O-N 3.34Å; A682-S684 VanDerWaalsContact O-N 3.15Å
683V97.1Very high98Very high50 Ų5061.9 Ų61.930%0.30333%0.325SS..SBendtrans-60.9-20.2171.969.50000112.6R590 P592 T664 E665R590-V683 WeakPolarHBondContact CD-O 3.19Å; R590-V683 HydrophobicContact CG-CG2 4.31Å; R590-V683 WeakPolarHBondContact CG-O 3.33Å; P592-V683 VanDerWaalsContact CA-O 3.25Å; P592-V683 WeakPolarHBondContact CA-O 3.31Å; P592-V683 WeakPolarHBondContact CB-O 3.44Å; P592-V683 WeakPolarHBondContact CD-O 3.32Å; T664-V683 HydrophobicContact CG2-CG2 4.04Å; E665-V683 HydrophobicContact CG-CG2 3.82Å
684S97.5Very high98Very high40 Ų4057.9 Ų57.928%0.2831%0.311SS..  trans-13584.9176.61750000111.2G591 A682 N686G591-S684 CarbonylContact O-C 3.57Å; A682-S684 PolarHBondContact O-N 3.34Å; A682-S684 VanDerWaalsContact O-N 3.15Å; S684-N686 PolarHBondContact O-N 3.48Å
685G97.9Very high98Very high17 Ų1754.6 Ų54.618%0.17531%0.308CS..  trans-75.835.1171.200000113.7G591 Y644 Y687G591-G685 PolarHBondContact O-N 2.65Å; Y644-G685 WeakPolarHBondContact CE1-O 3.45Å; G685-Y687 PolarHBondContact O-N 3.31Å
686N97.8Very high98Very high90 Ų9054.5 Ų54.548%0.48131%0.308SS..SBendtrans55.6-1.9-172.1-76.1-33.8000117.4S684 C688 T689 K692S684-N686 PolarHBondContact O-N 3.48Å; N686-C688 PolarHBondContact O-N 2.94Å; N686-C688 VanDerWaalsContact O-N 3.08Å; N686-T689 WeakPolarHBondContact O-CA 3.33Å; N686-T689 VanDerWaalsContact O-CB 3.29Å; N686-T689 WeakPolarHBondContact O-CB 3.48Å; N686-T689 VanDerWaalsContact O-CG2 3.28Å; N686-T689 WeakPolarHBondContact O-CG2 3.42Å; N686-T689 PolarHBondContact O-OG1 3.48Å; N686-K692 WeakPolarHBondContact OD1-CE 3.38Å; N686-K692 PolarHBondContact OD1-NZ 2.69Å
687Y98.4Very high98Very high45 Ų4550 Ų5018%0.17628%0.279CS..THydrogen-bonded Turntrans-79.617.1-179.2-158.8-123.6000114.5H635 S637 Y644 R646 G685 I696H635-Y687 AromaticContact CD2-CE1 3.99Å; H635-Y687 AromaticContact CD2-CZ 3.91Å; H635-Y687 PolarHBondContact CD2-OH 2.89Å; H635-Y687 PolarHBondContact NE2-OH 3.06Å; H635-Y687 VanDerWaalsContact NE2-OH 3.14Å; S637-Y687 VanDerWaalsContact CB-OH 3.22Å; S637-Y687 WeakPolarHBondContact CB-OH 3.42Å; Y644-Y687 HydrophobicContact CD1-CG 4.39Å; Y644-Y687 HydrophobicContact CG-CG 4.39Å; R646-Y687 HydrophobicContact CB-CD1 3.85Å; R646-Y687 HydrophobicContact CB-CE1 3.97Å; G685-Y687 PolarHBondContact O-N 3.31Å; Y687-I696 HydrophobicContact CD2-CD1 4.11Å; Y687-I696 HydrophobicContact CE1-CD1 4.1Å; Y687-I696 HydrophobicContact CE2-CD1 3.5Å
688C96.8Very high98Very high0 Ų046.5 Ų46.50%026%0.26CS..THydrogen-bonded Turntrans-69.9-56.2177.5-40.10000111.6T589 G591 R646 N686 D690 N697T589-C688 PolarHBondContact OG1-O 2.95Å; G591-C688 PolarHBondContact N-SG 3.5Å; R646-C688 PolarHBondContact NE-O 2.79Å; R646-C688 PolarHBondContact NH2-O 2.86Å; N686-C688 PolarHBondContact O-N 2.94Å; N686-C688 VanDerWaalsContact O-N 3.08Å; C688-D690 HydrophobicContact CB-CB 4.36Å; C688-N697 PolarHBondContact O-OD1 3.43Å
689T97.9Very high98Very high13 Ų1352.4 Ų52.48%0.0829%0.29CS..  cis-97.5135.8-10.2-600000109.3N686 K692 A694 N697 R702N686-T689 WeakPolarHBondContact O-CA 3.33Å; N686-T689 VanDerWaalsContact O-CB 3.29Å; N686-T689 WeakPolarHBondContact O-CB 3.48Å; N686-T689 VanDerWaalsContact O-CG2 3.28Å; N686-T689 WeakPolarHBondContact O-CG2 3.42Å; N686-T689 PolarHBondContact O-OG1 3.48Å; T689-K692 HydrophobicContact CG2-CB 3.94Å; T689-A694 HydrophobicContact CG2-CB 3.76Å; T689-A694 WeakPolarHBondContact OG1-CB 3.3Å; T689-N697 PolarHBondContact N-OD1 3.39Å; T689-N697 PolarHBondContact O-ND2 2.87Å; T689-N697 PolarHBondContact O-OD1 3.44Å; T689-R702 WeakPolarHBondContact O-CD 3.24Å; T689-R702 PolarHBondContact O-NE 3.46Å; T689-R702 PolarHBondContact O-NH1 2.89Å
690D98.3Very high98Very high18 Ų1850.2 Ų50.210%0.09628%0.28CS..  trans-107.3131.4-176.8-174.763.9000112.2M657 C688 K692 R702 Q770M657-D690 HydrophobicContact CE-CB 3.89Å; M657-D690 VanDerWaalsContact CE-OD1 3.25Å; M657-D690 WeakPolarHBondContact CE-OD1 3.46Å; M657-D690 WeakPolarHBondContact CE-OD2 3.47Å; C688-D690 HydrophobicContact CB-CB 4.36Å; D690-K692 WeakPolarHBondContact O-CD 3.11Å; D690-K692 WeakPolarHBondContact O-CE 3.39Å; D690-K692 PolarHBondContact O-N 3.15Å; D690-K692 VanDerWaalsContact O-N 3.09Å; D690-K692 PolarHBondContact O-NZ 3.43Å; D690-R702 IonicContact OD1-CZ 2.69Å; D690-R702 IonicContact OD1-NH1 2.62Å; D690-R702 PolarHBondContact OD1-NH1 2.95Å; D690-R702 IonicContact OD1-NH2 3.93Å; D690-R702 PolarHBondContact OD1-NH2 2.93Å; D690-Q770 PolarHBondContact OD1-NE2 3.5Å; D690-Q770 VanDerWaalsContact OD1-NE2 3.09Å
691K98Very high98Very high73 Ų7347 Ų4732%0.31727%0.265SS..SBendtrans54.523.1175.3-57.3175.7-171.6-155.20115.9D767 A769 Q770K691-D767 WeakPolarHBondContact CE-OD1 3.49Å; K691-D767 WeakPolarHBondContact CE-OD2 3.44Å; K691-D767 IonicContact NZ-OD1 2.68Å; K691-D767 PolarHBondContact NZ-OD1 3.23Å; K691-D767 IonicContact NZ-OD2 2.95Å; K691-D767 PolarHBondContact NZ-OD2 3.27Å; K691-A769 HydrophobicContact CD-CB 3.81Å; K691-A769 HydrophobicContact CG-CB 4.25Å; K691-Q770 HydrophobicContact CG-CG 4.02Å
692K98.1Very high98Very high82 Ų8244 Ų4436%0.35725%0.249SC..SBendtrans-136146172.9-78.186.365.9-171.20109.3N686 T689 D690 A694N686-K692 WeakPolarHBondContact OD1-CE 3.38Å; N686-K692 PolarHBondContact OD1-NZ 2.69Å; T689-K692 HydrophobicContact CG2-CB 3.94Å; D690-K692 WeakPolarHBondContact O-CD 3.11Å; D690-K692 WeakPolarHBondContact O-CE 3.39Å; D690-K692 PolarHBondContact O-N 3.15Å; D690-K692 VanDerWaalsContact O-N 3.09Å; D690-K692 PolarHBondContact O-NZ 3.43Å; K692-A694 PolarHBondContact O-N 2.9Å
693P97.4Very high98Very high108 Ų10842.3 Ų42.370%0.70124%0.235SC*.  trans-64.8133.117428.8-34.3000109.4
694A98.1Very high98.1Very high27 Ų2740.1 Ų40.122%0.22322%0.221CC..  trans-158.2130.3-179.500000112T689 K692 I696 N697T689-A694 HydrophobicContact CG2-CB 3.76Å; T689-A694 WeakPolarHBondContact OG1-CB 3.3Å; K692-A694 PolarHBondContact O-N 2.9Å; A694-I696 HydrophobicContact CB-CG2 4.17Å; A694-I696 PolarHBondContact O-N 3.43Å; A694-I696 VanDerWaalsContact O-N 3.13Å; A694-N697 PolarHBondContact O-N 3.29Å
695A98.5Very high98.2Very high47 Ų4738.8 Ų38.839%0.38821%0.212SC..Hα-helixtrans-57.6-28.817900000113.3N697 W698 I699 I746A695-N697 VanDerWaalsContact C-N 3.3Å; A695-N697 PolarHBondContact O-N 2.85Å; A695-W698 WeakPolarHBondContact O-CB 3.29Å; A695-W698 PolarHBondContact O-N 3.41Å; A695-W698 VanDerWaalsContact O-N 3.13Å; A695-I699 HydrophobicContact CB-CD1 4.23Å; A695-I699 WeakPolarHBondContact O-CB 3.34Å; A695-I699 VanDerWaalsContact O-CG1 3.31Å; A695-I699 WeakPolarHBondContact O-CG1 3.5Å; A695-I699 PolarHBondContact O-N 2.92Å; A695-I746 HydrophobicContact CB-CG2 4.05Å
696I98.4Very high98.2Very high27 Ų2738 Ų3814%0.13820%0.204CC..Hα-helixtrans-65.3-29.8177.2-162.6164.9000113.1Y687 A694 E700Y687-I696 HydrophobicContact CD2-CD1 4.11Å; Y687-I696 HydrophobicContact CE1-CD1 4.1Å; Y687-I696 HydrophobicContact CE2-CD1 3.5Å; A694-I696 HydrophobicContact CB-CG2 4.17Å; A694-I696 PolarHBondContact O-N 3.43Å; A694-I696 VanDerWaalsContact O-N 3.13Å; I696-E700 HydrophobicContact CG1-CB 4.29Å; I696-E700 HydrophobicContact CG1-CG 4.08Å; I696-E700 WeakPolarHBondContact O-CB 3.3Å; I696-E700 PolarHBondContact O-N 2.92Å
697N98.6Very high98.3Very high1 Ų135.4 Ų35.41%0.00519%0.192CC..Hα-helixtrans-74.4-32.5173.4-69.6-9.3000111.8R646 C688 T689 A694 A695 G701 R702R646-N697 PolarHBondContact NH2-OD1 2.83Å; C688-N697 PolarHBondContact O-OD1 3.43Å; T689-N697 PolarHBondContact N-OD1 3.39Å; T689-N697 PolarHBondContact O-ND2 2.87Å; T689-N697 PolarHBondContact O-OD1 3.44Å; A694-N697 PolarHBondContact O-N 3.29Å; A695-N697 VanDerWaalsContact C-N 3.3Å; A695-N697 PolarHBondContact O-N 2.85Å; N697-G701 CarbonylContact O-C 3.52Å; N697-G701 VanDerWaalsContact O-CA 3.22Å; N697-G701 WeakPolarHBondContact O-CA 3.34Å; N697-G701 PolarHBondContact O-N 3.19Å; N697-R702 HydrophobicContact CB-CB 4.41Å; N697-R702 WeakPolarHBondContact OD1-CD 3.43Å
698W98.7Very high98.3Very high57 Ų5733.3 Ų33.322%0.21618%0.183CC..Hα-helixtrans-68.9-46.3175.9179.8-113.6000111.8A695 I746 Y749 N776 I778 P798A695-W698 WeakPolarHBondContact O-CB 3.29Å; A695-W698 PolarHBondContact O-N 3.41Å; A695-W698 VanDerWaalsContact O-N 3.13Å; W698-I746 HydrophobicContact CB-CG2 4.4Å; W698-I746 HydrophobicContact CG-CG2 4.46Å; W698-Y749 HydrophobicContact CH2-CD2 4.37Å; W698-Y749 AromaticContact CZ2-CD2 3.95Å; W698-Y749 HydrophobicContact CZ2-CD2 3.95Å; W698-Y749 HydrophobicContact CZ2-CE2 4.29Å; W698-N776 HydrophobicContact CE3-CB 3.88Å; W698-N776 HydrophobicContact CZ3-CB 4.07Å; W698-I778 HydrophobicContact CH2-CB 3.79Å; W698-I778 HydrophobicContact CH2-CG2 3.82Å; W698-I778 HydrophobicContact CZ2-CB 4.26Å; W698-I778 HydrophobicContact CZ2-CG2 4.3Å; W698-P798 HydrophobicContact CD2-CG 4.17Å; W698-P798 HydrophobicContact CE3-CG 3.36Å; W698-P798 HydrophobicContact CH2-CG 4.47Å; W698-P798 VanDerWaalsContact CZ3-CD 3.5Å; W698-P798 HydrophobicContact CZ3-CG 3.55Å
699I98.4Very high98.4Very high125 Ų12537.3 Ų37.364%0.64120%0.202SC*.Hα-helixtrans-83.6-50.3-172.7-61.9165.3000112.1A695A695-I699 HydrophobicContact CB-CD1 4.23Å; A695-I699 WeakPolarHBondContact O-CB 3.34Å; A695-I699 VanDerWaalsContact O-CG1 3.31Å; A695-I699 WeakPolarHBondContact O-CG1 3.5Å; A695-I699 PolarHBondContact O-N 2.92Å
700E98.3Very high98.5Very high61 Ų6137 Ų3729%0.28520%0.201SC..SBendtrans-93.3-1.1-175-68-81143.500113.2K633 H635 I696K633-E700 IonicContact NZ-OE2 3.65Å; K633-E700 PolarHBondContact NZ-OE2 3.41Å; H635-E700 IonicContact CE1-OE1 3.79Å; H635-E700 IonicContact ND1-OE1 3.65Å; H635-E700 IonicContact ND1-OE2 2.82Å; I696-E700 HydrophobicContact CG1-CB 4.29Å; I696-E700 HydrophobicContact CG1-CG 4.08Å; I696-E700 WeakPolarHBondContact O-CB 3.3Å; I696-E700 PolarHBondContact O-N 2.92Å
701G98.2Very high98.5Very high3 Ų338.9 Ų38.93%0.03121%0.213CC..  trans66.5169.2-171.300000114.1R646 N697 P798R646-G701 PolarHBondContact NH1-O 3.23Å; R646-G701 VanDerWaalsContact NH1-O 3.15Å; R646-G701 PolarHBondContact NH2-O 3.09Å; N697-G701 CarbonylContact O-C 3.52Å; N697-G701 VanDerWaalsContact O-CA 3.22Å; N697-G701 WeakPolarHBondContact O-CA 3.34Å; N697-G701 PolarHBondContact O-N 3.19Å; G701-P798 VanDerWaalsContact CA-O 3.22Å; G701-P798 WeakPolarHBondContact CA-O 3.39Å
702R98.6Very high98.5Very high1 Ų135.4 Ų35.40%0.00420%0.198CC..  trans-162.2128.3171.2-178.3166.3175.8-102.1-12.6111.9M588 T589 M657 T689 D690 N697 K704 P798 S799 E801M588-R702 HydrophobicContact SD-CG 4.25Å; M588-R702 PolarHBondContact SD-NH2 2.99Å; M588-R702 VanDerWaalsContact SD-NH2 3.42Å; T589-R702 HydrophobicContact CG2-CG 4.33Å; T589-R702 WeakPolarHBondContact OG1-CD 3.42Å; T589-R702 WeakPolarHBondContact OG1-CG 3.44Å; T589-R702 PolarHBondContact OG1-NE 2.97Å; M657-R702 PolarHBondContact SD-NH2 3.18Å; T689-R702 WeakPolarHBondContact O-CD 3.24Å; T689-R702 PolarHBondContact O-NE 3.46Å; T689-R702 PolarHBondContact O-NH1 2.89Å; D690-R702 IonicContact OD1-CZ 2.69Å; D690-R702 IonicContact OD1-NH1 2.62Å; D690-R702 PolarHBondContact OD1-NH1 2.95Å; D690-R702 IonicContact OD1-NH2 3.93Å; D690-R702 PolarHBondContact OD1-NH2 2.93Å; N697-R702 HydrophobicContact CB-CB 4.41Å; N697-R702 WeakPolarHBondContact OD1-CD 3.43Å; R702-K704 PolarHBondContact O-N 3.49Å; R702-P798 PolarHBondContact N-O 3.43Å; R702-S799 CarbonylContact O-C 3.57Å; R702-S799 WeakPolarHBondContact O-CA 3.49Å; R702-E801 IonicContact CZ-OE1 2.71Å; R702-E801 IonicContact NH1-OE1 3.87Å; R702-E801 PolarHBondContact NH1-OE1 3.45Å; R702-E801 IonicContact NH1-OE2 3.33Å; R702-E801 PolarHBondContact NH1-OE2 2.93Å; R702-E801 IonicContact NH2-OE1 3.93Å
703G98.1Very high98.6Very high4 Ų433.5 Ų33.54%0.04119%0.194CC..EExtended strand (participates in β ladder)trans77.7-116.7-173.800000110D586 G587D586-G703 CarbonylContact C-O 3.58Å; D586-G703 WeakPolarHBondContact CA-O 3.34Å; G587-G703 PolarHBondContact N-O 2.95Å; G587-G703 PolarHBondContact O-N 3.45Å
704K98.8Very high98.6Very high3 Ų328.8 Ų28.81%0.01316%0.164CC..EExtended strand (participates in β ladder)trans-106.6123.3177.8-55.9-67.2-171.4-80.90109.9V583 A585 D586 R702 V706 I800 I802 R836 A839V583-K704 HydrophobicContact CG1-CD 4.42Å; A585-K704 WeakPolarHBondContact O-CA 3.39Å; D586-K704 HydrophobicContact CB-CD 3.94Å; D586-K704 VanDerWaalsContact CG-CD 3.5Å; D586-K704 VanDerWaalsContact CG-NZ 3.34Å; D586-K704 WeakPolarHBondContact OD1-CD 3.31Å; D586-K704 WeakPolarHBondContact OD1-CE 3.35Å; D586-K704 IonicContact OD1-NZ 3.11Å; D586-K704 PolarHBondContact OD1-NZ 3.14Å; D586-K704 VanDerWaalsContact OD2-CE 3.29Å; D586-K704 WeakPolarHBondContact OD2-CE 3.17Å; D586-K704 IonicContact OD2-NZ 2.66Å; D586-K704 PolarHBondContact OD2-NZ 2.98Å; R702-K704 PolarHBondContact O-N 3.49Å; K704-V706 HydrophobicContact CB-CG2 4.2Å; K704-I800 HydrophobicContact CB-CB 4.32Å; K704-I800 PolarHBondContact N-O 3.38Å; K704-I800 WeakPolarHBondContact O-CB 3.48Å; K704-I800 PolarHBondContact O-N 3.38Å; K704-I802 HydrophobicContact CG-CG2 4.13Å; K704-R836 HydrophobicContact CD-CG 4.06Å; K704-A839 HydrophobicContact CB-CB 3.77Å; K704-A839 HydrophobicContact CG-CB 3.87Å
705S98.9Very high98.6Very high13 Ų1333.7 Ų33.79%0.09118%0.18CC..EExtended strand (participates in β ladder)trans-95.4124.3168.6-50.20000108.4V583 L584 A585 M797 P798V583-S705 CarbonylContact C-O 3.57Å; V583-S705 WeakPolarHBondContact CA-O 3.35Å; L584-S705 PolarHBondContact N-O 2.62Å; A585-S705 PolarHBondContact N-O 2.91Å; A585-S705 PolarHBondContact O-N 3.44Å; S705-M797 WeakPolarHBondContact CA-O 3.28Å; S705-P798 WeakPolarHBondContact CB-O 3.27Å; S705-P798 PolarHBondContact OG-O 3.35Å
706V98.9Very high98.6Very high0 Ų032 Ų320%017%0.165CC..EExtended strand (participates in β ladder)trans-133.9142.3-171.6-171.40000110.7R582 V583 K704 M797 I800 A839 R840 C843R582-V706 WeakPolarHBondContact O-CA 3.45Å; V583-V706 HydrophobicContact CG2-CG2 4.3Å; K704-V706 HydrophobicContact CB-CG2 4.2Å; V706-M797 PolarHBondContact N-O 3.2Å; V706-M797 PolarHBondContact O-N 3.44Å; V706-I800 HydrophobicContact CB-CD1 4.18Å; V706-I800 HydrophobicContact CG2-CD1 3.97Å; V706-A839 HydrophobicContact CG2-CB 3.9Å; V706-R840 HydrophobicContact CG1-CG 4.26Å; V706-C843 HydrophobicContact CB-CB 4.11Å; V706-C843 HydrophobicContact CG1-CB 3.59Å
707V98.9Very high98.6Very high36 Ų3630.8 Ų30.822%0.21816%0.159CC..EExtended strand (participates in β ladder)trans-120.1144.3164.761.30000109.6S581 R582 L584 C795 T796S581-V707 CarbonylContact C-O 3.46Å; S581-V707 WeakPolarHBondContact CA-O 3.27Å; S581-V707 WeakPolarHBondContact CB-O 3.33Å; R582-V707 HydrophobicContact CB-CG1 4.24Å; R582-V707 PolarHBondContact N-O 3.24Å; R582-V707 PolarHBondContact O-N 2.96Å; L584-V707 HydrophobicContact CD1-CB 4.24Å; L584-V707 HydrophobicContact CD1-CG1 4.05Å; L584-V707 HydrophobicContact CD2-CG1 3.94Å; L584-V707 HydrophobicContact CG-CG1 4.11Å; V707-C795 WeakPolarHBondContact CA-O 3.15Å; V707-T796 WeakPolarHBondContact CG2-OG1 3.46Å
708C98.9Very high98.6Very high0 Ų037 Ų370%018%0.182CC..EExtended strand (participates in β ladder)trans-135.8142.8174-166.20000109.9S580 S794 C795 C843 G844 M847S580-C708 CarbonylContact O-C 3.52Å; S580-C708 WeakPolarHBondContact O-CA 3.48Å; S580-C708 PolarHBondContact O-SG 2.89Å; S580-C708 VanDerWaalsContact O-SG 3.41Å; C708-S794 CarbonylContact O-C 3.59Å; C708-S794 WeakPolarHBondContact O-CA 3.31Å; C708-S794 WeakPolarHBondContact O-CB 3.45Å; C708-C795 PolarHBondContact N-O 3.47Å; C708-C795 PolarHBondContact O-N 2.95Å; C708-C843 HydrophobicContact CB-CB 4.25Å; C708-G844 VanDerWaalsContact SG-CA 3.59Å; C708-M847 HydrophobicContact CB-SD 4.45Å
709E98.9Very high98.6Very high84 Ų8439.3 Ų39.339%0.39320%0.195SC..EExtended strand (participates in β ladder)trans-140.5151.3-176.169.9-170.2136.600112.2A579 S580 Y792 I793A579-E709 VanDerWaalsContact CA-O 3.27Å; A579-E709 WeakPolarHBondContact CA-O 3.27Å; A579-E709 WeakPolarHBondContact CB-O 3.37Å; S580-E709 PolarHBondContact N-O 3.42Å; S580-E709 PolarHBondContact O-N 2.95Å; E709-Y792 HydrophobicContact CB-CE2 4.09Å; E709-I793 WeakPolarHBondContact CA-O 3.23Å
710A98.9Very high98.5Very high8 Ų834.7 Ų34.77%0.06617%0.173CC..EExtended strand (participates in β ladder)trans-154.9159.4169.900000111.7A579 I712 I793 M847A579-A710 HydrophobicContact CB-CB 4.17Å; A710-I712 HydrophobicContact CB-CD1 4.27Å; A710-I793 HydrophobicContact CB-CG2 4.28Å; A710-I793 PolarHBondContact N-O 3.35Å; A710-I793 PolarHBondContact O-N 3.19Å; A710-M847 HydrophobicContact CB-CE 3.61Å; A710-M847 HydrophobicContact CB-SD 4.44Å
711V98.9Very high98.5Very high57 Ų5731.8 Ų31.835%0.34516%0.159SC..EExtended strand (participates in β ladder)trans-113.9126.7166.7-179.60000108.6D790 L791 Y792V711-D790 HydrophobicContact CG1-CB 3.91Å; V711-L791 CarbonylContact C-O 3.55Å; V711-L791 WeakPolarHBondContact CA-O 3.46Å; V711-Y792 HydrophobicContact CG2-CD2 4.15Å
712I98.8Very high98.4Very high0 Ų037.4 Ų37.40%018%0.183CC..EExtended strand (participates in β ladder)trans-107.4112.7-178.6-48.3-58.6000108.5A572 I573 A710 V716 V717 L721 L791 L851A572-I712 HydrophobicContact CB-CG2 4.29Å; I573-I712 HydrophobicContact CG1-CD1 4.06Å; A710-I712 HydrophobicContact CB-CD1 4.27Å; I712-V716 HydrophobicContact CG2-CB 3.93Å; I712-V716 HydrophobicContact CG2-CG1 3.77Å; I712-V717 HydrophobicContact CB-CG2 4.14Å; I712-V717 HydrophobicContact CG2-CG2 3.78Å; I712-L721 HydrophobicContact CG2-CD1 4.31Å; I712-L791 HydrophobicContact CB-CB 4.35Å; I712-L791 PolarHBondContact N-O 3.18Å; I712-L791 PolarHBondContact O-N 2.72Å; I712-L851 HydrophobicContact CD1-CD1 3.81Å; I712-L851 HydrophobicContact CG1-CD1 3.87Å; I712-L851 HydrophobicContact CG1-CD2 4.02Å
713P98.8Very high98.4Very high42 Ų4238.1 Ų38.127%0.27319%0.187SC..  trans-60145.6-175.8-26.734000113G576 K715 V716 V717 D790G576-P713 VanDerWaalsContact CA-CD 3.49Å; P713-K715 CarbonylContact O-C 3.6Å; P713-K715 PolarHBondContact O-N 3.42Å; P713-V716 HydrophobicContact CB-CG2 4.19Å; P713-V716 HydrophobicContact CG-CG2 4.3Å; P713-V716 WeakPolarHBondContact O-CA 3.38Å; P713-V716 WeakPolarHBondContact O-CB 3.48Å; P713-V716 PolarHBondContact O-N 3.39Å; P713-V717 PolarHBondContact O-N 3.34Å; P713-D790 VanDerWaalsContact CA-OD1 3.23Å; P713-D790 WeakPolarHBondContact CA-OD1 3.42Å
714A98.4Very high98.4Very high8 Ų841.1 Ų41.17%0.06621%0.205CC..Hα-helixtrans-53.2-31.4-177.600000113.9R718 E789 D790A714-R718 VanDerWaalsContact CB-NH2 3.27Å; A714-R718 WeakPolarHBondContact O-CG 3.42Å; A714-R718 PolarHBondContact O-N 3.26Å; A714-R718 PolarHBondContact O-NE 3.2Å; A714-E789 HydrophobicContact CB-CB 3.53Å; A714-E789 VanDerWaalsContact CB-O 3.3Å; A714-E789 WeakPolarHBondContact CB-O 3.33Å; A714-D790 PolarHBondContact N-OD1 2.9Å
715K98.4Very high98.4Very high130 Ų13041.5 Ų41.557%0.56521%0.208SC*.Hα-helixtrans-64.9-45.5171.7-176.1178.8178.4-177.70111.7P713 R718 E719P713-K715 CarbonylContact O-C 3.6Å; P713-K715 PolarHBondContact O-N 3.42Å; K715-R718 PolarHBondContact O-N 3.46Å; K715-E719 WeakPolarHBondContact CE-OE1 3.41Å; K715-E719 WeakPolarHBondContact CE-OE2 3.2Å; K715-E719 HydrophobicContact CG-CG 4.27Å; K715-E719 IonicContact NZ-OE1 3.89Å; K715-E719 VanDerWaalsContact O-CB 3.29Å; K715-E719 WeakPolarHBondContact O-CB 3.34Å; K715-E719 WeakPolarHBondContact O-CG 3.16Å; K715-E719 PolarHBondContact O-N 3.03Å
716V98.6Very high98.4Very high12 Ų1248.5 Ų48.57%0.07324%0.239CC..Hα-helixtrans-68.8-37.6179.5-176.90000111.2A572 L575 I712 P713 R718 E719 V720 L721A572-V716 HydrophobicContact CB-CG1 4.04Å; L575-V716 HydrophobicContact CB-CG1 3.98Å; L575-V716 HydrophobicContact CB-CG2 3.74Å; L575-V716 HydrophobicContact CD1-CG1 4.34Å; I712-V716 HydrophobicContact CG2-CB 3.93Å; I712-V716 HydrophobicContact CG2-CG1 3.77Å; P713-V716 HydrophobicContact CB-CG2 4.19Å; P713-V716 HydrophobicContact CG-CG2 4.3Å; P713-V716 WeakPolarHBondContact O-CA 3.38Å; P713-V716 WeakPolarHBondContact O-CB 3.48Å; P713-V716 PolarHBondContact O-N 3.39Å; V716-R718 PolarHBondContact O-N 2.9Å; V716-E719 PolarHBondContact O-N 3.4Å; V716-V720 HydrophobicContact CG1-CB 4.14Å; V716-V720 HydrophobicContact CG1-CG2 3.94Å; V716-V720 WeakPolarHBondContact O-CA 3.32Å; V716-V720 WeakPolarHBondContact O-CB 3.18Å; V716-V720 PolarHBondContact O-N 3.21Å; V716-L721 PolarHBondContact O-N 2.93Å
717V98.4Very high98.3Very high1 Ų149.4 Ų49.41%0.00625%0.247CC..Iπ-helixtrans-60.5-45.1173.6-174.90000110.7I712 P713 L721 K722 T723 L791I712-V717 HydrophobicContact CB-CG2 4.14Å; I712-V717 HydrophobicContact CG2-CG2 3.78Å; P713-V717 PolarHBondContact O-N 3.34Å; V717-L721 HydrophobicContact CG1-CB 4.47Å; V717-L721 CarbonylContact O-C 3.57Å; V717-L721 VanDerWaalsContact O-C 3.29Å; V717-L721 WeakPolarHBondContact O-CA 3.37Å; V717-L721 VanDerWaalsContact O-CB 3.31Å; V717-L721 WeakPolarHBondContact O-CB 3.2Å; V717-L721 PolarHBondContact O-N 3.46Å; V717-K722 PolarHBondContact O-N 3.41Å; V717-T723 CarbonylContact C-O 3.5Å; V717-T723 HydrophobicContact CG1-CG2 3.82Å; V717-T723 PolarHBondContact O-N 3.27Å; V717-L791 HydrophobicContact CG2-CB 3.97Å; V717-L791 HydrophobicContact CG2-CD2 4.49Å
718R98.1Very high98.3Very high131 Ų13147.7 Ų47.749%0.49424%0.236SC..Iπ-helixtrans-68.7-48.4175.4-72.5176.8-79.5-144.2-5.6113A714 K715 V716 K722 E789A714-R718 VanDerWaalsContact CB-NH2 3.27Å; A714-R718 WeakPolarHBondContact O-CG 3.42Å; A714-R718 PolarHBondContact O-N 3.26Å; A714-R718 PolarHBondContact O-NE 3.2Å; K715-R718 PolarHBondContact O-N 3.46Å; V716-R718 PolarHBondContact O-N 2.9Å; R718-K722 WeakPolarHBondContact O-CA 3.32Å; R718-K722 PolarHBondContact O-N 3.02Å; R718-E789 IonicContact CZ-OE2 3.08Å; R718-E789 IonicContact NH1-OE2 2.77Å; R718-E789 PolarHBondContact NH1-OE2 3Å; R718-E789 VanDerWaalsContact NH1-OE2 3.08Å; R718-E789 IonicContact NH2-OE2 2.79Å; R718-E789 PolarHBondContact NH2-OE2 3Å
719E97.4Very high98.3Very high107 Ų10749.1 Ų49.150%0.524%0.243SC..Iπ-helixtrans-81.2-37.2-171.1-72-179.1177.500114.4K715 V716 K722K715-E719 WeakPolarHBondContact CE-OE1 3.41Å; K715-E719 WeakPolarHBondContact CE-OE2 3.2Å; K715-E719 HydrophobicContact CG-CG 4.27Å; K715-E719 IonicContact NZ-OE1 3.89Å; K715-E719 VanDerWaalsContact O-CB 3.29Å; K715-E719 WeakPolarHBondContact O-CB 3.34Å; K715-E719 WeakPolarHBondContact O-CG 3.16Å; K715-E719 PolarHBondContact O-N 3.03Å; V716-E719 PolarHBondContact O-N 3.4Å; E719-K722 WeakPolarHBondContact O-CD 3.5Å; E719-K722 WeakPolarHBondContact O-CE 3.38Å; E719-K722 PolarHBondContact O-NZ 2.96Å
720V97.8Very high98.3Very high27 Ų2750.9 Ų50.916%0.16425%0.252CS..Iπ-helixtrans-100.8-51-178.1-177.90000110.9R568 R571 A572 L575 V716 K722R568-V720 HydrophobicContact CG-CG1 4.08Å; R568-V720 PolarHBondContact NE-O 3.19Å; R568-V720 PolarHBondContact NH2-O 3.49Å; R571-V720 HydrophobicContact CG-CG1 4.46Å; A572-V720 HydrophobicContact CB-CG1 4.26Å; L575-V720 HydrophobicContact CD1-CG2 3.88Å; V716-V720 HydrophobicContact CG1-CB 4.14Å; V716-V720 HydrophobicContact CG1-CG2 3.94Å; V716-V720 WeakPolarHBondContact O-CA 3.32Å; V716-V720 WeakPolarHBondContact O-CB 3.18Å; V716-V720 PolarHBondContact O-N 3.21Å; V720-K722 VanDerWaalsContact C-N 3.33Å
721L97.3Very high98.3Very high0 Ų052.2 Ų52.20%026%0.259CS..Iπ-helixtrans-80.1-14.1-177-58.9-178.6000112.9R568 A572 I712 V716 V717 T723 M728 L851 A855R568-L721 VanDerWaalsContact NH2-CA 3.33Å; R568-L721 PolarHBondContact NH2-O 3.44Å; A572-L721 HydrophobicContact CB-CD1 4.32Å; A572-L721 HydrophobicContact CB-CD2 3.95Å; A572-L721 HydrophobicContact CB-CG 4.11Å; I712-L721 HydrophobicContact CG2-CD1 4.31Å; V716-L721 PolarHBondContact O-N 2.93Å; V717-L721 HydrophobicContact CG1-CB 4.47Å; V717-L721 CarbonylContact O-C 3.57Å; V717-L721 VanDerWaalsContact O-C 3.29Å; V717-L721 WeakPolarHBondContact O-CA 3.37Å; V717-L721 VanDerWaalsContact O-CB 3.31Å; V717-L721 WeakPolarHBondContact O-CB 3.2Å; V717-L721 PolarHBondContact O-N 3.46Å; L721-T723 VanDerWaalsContact C-N 3.28Å; L721-T723 HydrophobicContact CB-CG2 4.09Å; L721-T723 PolarHBondContact O-N 3.02Å; L721-M728 HydrophobicContact CD1-CE 4.46Å; L721-L851 HydrophobicContact CD1-CB 4.46Å; L721-L851 HydrophobicContact CD1-CD2 4.09Å; L721-A855 HydrophobicContact CB-CB 3.71Å; L721-A855 HydrophobicContact CD2-CB 4.25Å; L721-A855 HydrophobicContact CG-CB 4.41Å; L721-A855 WeakPolarHBondContact O-CB 3.38Å
722K97.3Very high98.3Very high121 Ų12149.6 Ų49.653%0.52624%0.243SC..  trans57.737.5174.6-52.2-56.4-168.1-172.30113V717 R718 E719 V720 A859V717-K722 PolarHBondContact O-N 3.41Å; R718-K722 WeakPolarHBondContact O-CA 3.32Å; R718-K722 PolarHBondContact O-N 3.02Å; E719-K722 WeakPolarHBondContact O-CD 3.5Å; E719-K722 WeakPolarHBondContact O-CE 3.38Å; E719-K722 PolarHBondContact O-NZ 2.96Å; V720-K722 VanDerWaalsContact C-N 3.33Å; K722-A859 WeakPolarHBondContact O-CB 3.31Å
723T97.9Very high98.3Very high16 Ų1653.2 Ų53.210%0.09826%0.262CS..SBendtrans-149.6-170.5-177.4-167.80000110.5V717 L721 M728 A855V717-T723 CarbonylContact C-O 3.5Å; V717-T723 HydrophobicContact CG1-CG2 3.82Å; V717-T723 PolarHBondContact O-N 3.27Å; L721-T723 VanDerWaalsContact C-N 3.28Å; L721-T723 HydrophobicContact CB-CG2 4.09Å; L721-T723 PolarHBondContact O-N 3.02Å; T723-M728 HydrophobicContact CG2-CG 3.61Å; T723-M728 HydrophobicContact CG2-SD 3.84Å; T723-A855 HydrophobicContact CG2-CB 3.79Å
724T98.1Very high98.2Very high68 Ų6855.6 Ų55.642%0.41727%0.272SS..  trans-114.8157.717162.70000111.2A727 M728T724-A727 PolarHBondContact O-N 2.96Å; T724-A727 WeakPolarHBondContact OG1-CB 3.38Å; T724-A727 PolarHBondContact OG1-N 3.38Å; T724-M728 WeakPolarHBondContact O-CG 3.42Å; T724-M728 PolarHBondContact O-N 3.45Å; T724-M728 VanDerWaalsContact O-N 3.1Å
725T98.6Very high98.3Very high11 Ų1158.6 Ų58.67%0.06728%0.283CS..Hα-helixtrans-61.1-43.4176.1-63.80000111.9A727 M728 I729 E789 L791T725-A727 PolarHBondContact O-N 3.41Å; T725-M728 WeakPolarHBondContact O-CB 3.43Å; T725-M728 PolarHBondContact O-N 2.97Å; T725-I729 HydrophobicContact CG2-CD1 3.77Å; T725-I729 WeakPolarHBondContact O-CD1 3.23Å; T725-I729 VanDerWaalsContact O-CG1 3.29Å; T725-I729 WeakPolarHBondContact O-CG1 3.44Å; T725-I729 PolarHBondContact O-N 3.36Å; T725-E789 VanDerWaalsContact CB-O 3.28Å; T725-E789 WeakPolarHBondContact CB-O 3.5Å; T725-E789 PolarHBondContact OG1-O 3.5Å; T725-L791 HydrophobicContact CG2-CB 3.88Å; T725-L791 HydrophobicContact CG2-CD1 4.04Å
726E98.4Very high98.3Very high159 Ų15952.4 Ų52.474%0.74326%0.257SS*.Hα-helixtrans-54-51.6174-177.3178.9-156.900112.3M728 I729 E730E726-M728 VanDerWaalsContact C-N 3.31Å; E726-M728 PolarHBondContact O-N 3.11Å; E726-I729 PolarHBondContact O-N 2.95Å; E726-E730 WeakPolarHBondContact O-CB 3.3Å; E726-E730 PolarHBondContact O-N 3.24Å
727A98.1Very high98.3Very high20 Ų2054.2 Ų54.217%0.16527%0.266CS..Hα-helixtrans-67.5-29.4179.800000113T724 T725 V731 A858T724-A727 PolarHBondContact O-N 2.96Å; T724-A727 WeakPolarHBondContact OG1-CB 3.38Å; T724-A727 PolarHBondContact OG1-N 3.38Å; T725-A727 PolarHBondContact O-N 3.41Å; A727-V731 WeakPolarHBondContact O-CB 3.42Å; A727-V731 VanDerWaalsContact O-CG2 3.25Å; A727-V731 WeakPolarHBondContact O-CG2 3.25Å; A727-V731 PolarHBondContact O-N 2.98Å; A727-V731 VanDerWaalsContact O-N 3.09Å; A727-A858 HydrophobicContact CB-CB 4.17Å
728M98.6Very high98.3Very high0 Ų057.4 Ų57.40%029%0.285CS..Hα-helixtrans-65.5-46171.8-73.7-73.6-7400111.5L721 T723 T724 T725 E726 N732 M781 L791 L851 M854 A855L721-M728 HydrophobicContact CD1-CE 4.46Å; T723-M728 HydrophobicContact CG2-CG 3.61Å; T723-M728 HydrophobicContact CG2-SD 3.84Å; T724-M728 WeakPolarHBondContact O-CG 3.42Å; T724-M728 PolarHBondContact O-N 3.45Å; T724-M728 VanDerWaalsContact O-N 3.1Å; T725-M728 WeakPolarHBondContact O-CB 3.43Å; T725-M728 PolarHBondContact O-N 2.97Å; E726-M728 VanDerWaalsContact C-N 3.31Å; E726-M728 PolarHBondContact O-N 3.11Å; M728-N732 WeakPolarHBondContact O-CB 3.49Å; M728-N732 PolarHBondContact O-N 3.37Å; M728-M781 HydrophobicContact CB-SD 4.13Å; M728-M781 HydrophobicContact CE-CE 4.11Å; M728-M781 HydrophobicContact CE-SD 3.89Å; M728-L791 HydrophobicContact CB-CD1 4.01Å; M728-L791 HydrophobicContact CB-CD2 3.96Å; M728-L791 HydrophobicContact CE-CD2 3.7Å; M728-L791 HydrophobicContact CG-CD2 4.01Å; M728-L851 HydrophobicContact CE-CD2 3.99Å; M728-L851 WeakPolarHBondContact CE-O 3.35Å; M728-M854 HydrophobicContact CE-CB 3.95Å; M728-M854 HydrophobicContact SD-CB 4.08Å; M728-A855 HydrophobicContact CE-CB 4.3Å; M728-A855 WeakPolarHBondContact SD-CA 3.31Å; M728-A855 HydrophobicContact SD-CB 3.68Å; M728-A855 PolarHBondContact SD-N 3.46Å
729I98.8Very high98.2Very high29 Ų2952.8 Ų52.815%0.14928%0.278CS..Hα-helixtrans-65.9-47.2178.7-64160.5000110.4T725 E726 V731 N732 I733 M781 E782 A783 L791T725-I729 HydrophobicContact CG2-CD1 3.77Å; T725-I729 WeakPolarHBondContact O-CD1 3.23Å; T725-I729 VanDerWaalsContact O-CG1 3.29Å; T725-I729 WeakPolarHBondContact O-CG1 3.44Å; T725-I729 PolarHBondContact O-N 3.36Å; E726-I729 PolarHBondContact O-N 2.95Å; I729-V731 PolarHBondContact O-N 3.43Å; I729-N732 PolarHBondContact O-N 2.83Å; I729-N732 VanDerWaalsContact O-N 3.14Å; I729-I733 HydrophobicContact CG2-CD1 3.78Å; I729-I733 HydrophobicContact CG2-CG1 4.42Å; I729-I733 WeakPolarHBondContact O-CG1 3.27Å; I729-I733 PolarHBondContact O-N 3.48Å; I729-M781 HydrophobicContact CG1-CB 4.19Å; I729-E782 VanDerWaalsContact CD1-C 3.47Å; I729-A783 HydrophobicContact CD1-CB 3.92Å; I729-L791 HydrophobicContact CD1-CD1 4.46Å; I729-L791 HydrophobicContact CG1-CD1 3.97Å
730E98.6Very high98.3Very high121 Ų12148.4 Ų48.457%0.56526%0.259SS*.Hα-helixtrans-58.1-47.2178.3-174.8-175.6-155.400111.6E726 N732 N734E726-E730 WeakPolarHBondContact O-CB 3.3Å; E726-E730 PolarHBondContact O-N 3.24Å; E730-N732 VanDerWaalsContact C-N 3.34Å; E730-N732 PolarHBondContact O-N 2.7Å; E730-N734 WeakPolarHBondContact O-CB 3.31Å; E730-N734 PolarHBondContact O-N 3.07Å; E730-N734 PolarHBondContact O-ND2 3.32Å
731V98.3Very high98.2Very high37 Ų3749.9 Ų49.922%0.22427%0.274CS..Hα-helixtrans-69.5-31.8177.5177.20000111.4A727 I729 K735 M854 L857 A858A727-V731 WeakPolarHBondContact O-CB 3.42Å; A727-V731 VanDerWaalsContact O-CG2 3.25Å; A727-V731 WeakPolarHBondContact O-CG2 3.25Å; A727-V731 PolarHBondContact O-N 2.98Å; A727-V731 VanDerWaalsContact O-N 3.09Å; I729-V731 PolarHBondContact O-N 3.43Å; V731-K735 HydrophobicContact CG1-CB 4.44Å; V731-K735 WeakPolarHBondContact O-CA 3.4Å; V731-K735 WeakPolarHBondContact O-CB 3.3Å; V731-K735 PolarHBondContact O-N 2.96Å; V731-M854 HydrophobicContact CB-CE 4.32Å; V731-M854 HydrophobicContact CG1-CE 3.77Å; V731-M854 HydrophobicContact CG1-SD 4.4Å; V731-L857 HydrophobicContact CG1-CB 4.29Å; V731-A858 HydrophobicContact CG2-CB 4.03Å
732N98.8Very high98.2Very high1 Ų157.3 Ų57.31%0.00531%0.311CS..Iπ-helixtrans-67-47.5174.4-166.475.9000112.3M728 I729 E730 N736 L737 T779 M781 M854M728-N732 WeakPolarHBondContact O-CB 3.49Å; M728-N732 PolarHBondContact O-N 3.37Å; I729-N732 PolarHBondContact O-N 2.83Å; I729-N732 VanDerWaalsContact O-N 3.14Å; E730-N732 VanDerWaalsContact C-N 3.34Å; E730-N732 PolarHBondContact O-N 2.7Å; N732-N736 WeakPolarHBondContact O-CA 3.48Å; N732-N736 VanDerWaalsContact O-CB 3.31Å; N732-N736 WeakPolarHBondContact O-CB 3.38Å; N732-N736 PolarHBondContact O-N 2.88Å; N732-N736 PolarHBondContact OD1-ND2 3.01Å; N732-L737 PolarHBondContact O-N 2.95Å; N732-T779 PolarHBondContact ND2-O 2.96Å; N732-T779 PolarHBondContact OD1-O 2.91Å; N732-M781 HydrophobicContact CB-CB 3.96Å; N732-M781 HydrophobicContact CB-CE 4.37Å; N732-M781 HydrophobicContact CB-CG 3.96Å; N732-M781 HydrophobicContact CB-SD 3.85Å; N732-M854 HydrophobicContact CB-CE 3.84Å
733I98.7Very high98.1Very high77 Ų7755.5 Ų55.540%0.39532%0.319SS..Iπ-helixtrans-60.3-53.5176.1-66.4168.9000109.8I729 L737 V738I729-I733 HydrophobicContact CG2-CD1 3.78Å; I729-I733 HydrophobicContact CG2-CG1 4.42Å; I729-I733 WeakPolarHBondContact O-CG1 3.27Å; I729-I733 PolarHBondContact O-N 3.48Å; I733-L737 WeakPolarHBondContact O-CB 3.29Å; I733-L737 PolarHBondContact O-N 3.4Å; I733-V738 HydrophobicContact CG2-CG2 4.31Å; I733-V738 WeakPolarHBondContact O-CG2 3.44Å; I733-V738 PolarHBondContact O-N 3.08Å
734N98.5Very high98Very high91 Ų9157.7 Ų57.749%0.48734%0.344SS..Iπ-helixtrans-73.8-31.3-173-70.1-70.7000113.7E730 G739E730-N734 WeakPolarHBondContact O-CB 3.31Å; E730-N734 PolarHBondContact O-N 3.07Å; E730-N734 PolarHBondContact O-ND2 3.32Å; N734-G739 PolarHBondContact O-N 3.37Å
735K98.6Very high98Very high71 Ų7156 Ų5631%0.30934%0.335SS..Iπ-helixtrans-92-58.5177.3-158.8-160.877.459.10113.4V731 G739 S740 N750 L857V731-K735 HydrophobicContact CG1-CB 4.44Å; V731-K735 WeakPolarHBondContact O-CA 3.4Å; V731-K735 WeakPolarHBondContact O-CB 3.3Å; V731-K735 PolarHBondContact O-N 2.96Å; K735-G739 WeakPolarHBondContact O-CA 3.26Å; K735-S740 PolarHBondContact O-N 2.83Å; K735-N750 PolarHBondContact NZ-O 2.94Å; K735-L857 HydrophobicContact CD-CD1 3.95Å
736N98.6Very high97.9Very high0 Ų060.1 Ų60.10%036%0.355CS..Iπ-helixtrans-79.8-26.4-167.8-73.8-10000112.7N732 S740 Y749 N750 A751N732-N736 WeakPolarHBondContact O-CA 3.48Å; N732-N736 VanDerWaalsContact O-CB 3.31Å; N732-N736 WeakPolarHBondContact O-CB 3.38Å; N732-N736 PolarHBondContact O-N 2.88Å; N732-N736 PolarHBondContact OD1-ND2 3.01Å; N736-S740 WeakPolarHBondContact O-CB 3.44Å; N736-S740 PolarHBondContact O-OG 2.85Å; N736-Y749 CarbonylContact O-C 3.46Å; N736-Y749 WeakPolarHBondContact O-CA 3.37Å; N736-Y749 WeakPolarHBondContact O-CB 3.5Å; N736-Y749 WeakPolarHBondContact O-CD1 3.24Å; N736-N750 PolarHBondContact OD1-O 2.58Å; N736-A751 PolarHBondContact OD1-N 2.96Å
737L98.4Very high97.8Very high50 Ų5052.5 Ų52.526%0.26232%0.32SS..Iπ-helixtrans-101.2-68.8176.3-52.3-178.4000111N732 I733 A741 I778 L780N732-L737 PolarHBondContact O-N 2.95Å; I733-L737 WeakPolarHBondContact O-CB 3.29Å; I733-L737 PolarHBondContact O-N 3.4Å; L737-A741 WeakPolarHBondContact O-CB 3.34Å; L737-A741 PolarHBondContact O-N 2.84Å; L737-I778 HydrophobicContact CD2-CD1 3.97Å; L737-I778 HydrophobicContact CD2-CG1 4.15Å; L737-L780 HydrophobicContact CD1-CD2 4.2Å; L737-L780 HydrophobicContact CD2-CD2 4.06Å
738V98.5Very high97.8Very high69 Ų6952.8 Ų52.842%0.41833%0.325SS..Iπ-helixtrans-65.6-53.1-174.9-1800000111.3I733 S740 A741 M742I733-V738 HydrophobicContact CG2-CG2 4.31Å; I733-V738 WeakPolarHBondContact O-CG2 3.44Å; I733-V738 PolarHBondContact O-N 3.08Å; V738-S740 VanDerWaalsContact C-N 3.35Å; V738-S740 PolarHBondContact O-N 2.84Å; V738-A741 WeakPolarHBondContact O-CB 3.35Å; V738-A741 PolarHBondContact O-N 3.44Å; V738-M742 HydrophobicContact CG1-CG 4.25Å; V738-M742 WeakPolarHBondContact O-CG 3.41Å; V738-M742 PolarHBondContact O-N 3.13Å
739G97.9Very high97.8Very high33 Ų3355.2 Ų55.234%0.3433%0.334SS..Iπ-helixtrans-56.4-45.117900000113.3N734 K735 M742 A743N734-G739 PolarHBondContact O-N 3.37Å; K735-G739 WeakPolarHBondContact O-CA 3.26Å; G739-M742 PolarHBondContact O-N 2.86Å; G739-A743 WeakPolarHBondContact O-CB 3.3Å; G739-A743 PolarHBondContact O-N 3.18Å
740S98.1Very high97.8Very high15 Ų1554.8 Ų54.811%0.10533%0.332CS..Hα-helixtrans-64.6-36.2173.8-73.90000113.4K735 N736 V738 A743 G744 S745 G748K735-S740 PolarHBondContact O-N 2.83Å; N736-S740 WeakPolarHBondContact O-CB 3.44Å; N736-S740 PolarHBondContact O-OG 2.85Å; V738-S740 VanDerWaalsContact C-N 3.35Å; V738-S740 PolarHBondContact O-N 2.84Å; S740-A743 PolarHBondContact O-N 2.78Å; S740-G744 PolarHBondContact O-N 3.32Å; S740-S745 WeakPolarHBondContact O-CB 3.32Å; S740-S745 PolarHBondContact O-N 2.99Å; S740-G748 WeakPolarHBondContact CB-O 3.42Å; S740-G748 PolarHBondContact OG-O 3.1Å
741A95.9Very high97.8Very high58 Ų5850.1 Ų50.148%0.47932%0.315SS..Hα-helixtrans-67.3-44.4174.800000112.1L737 V738 A743 G744L737-A741 WeakPolarHBondContact O-CB 3.34Å; L737-A741 PolarHBondContact O-N 2.84Å; V738-A741 WeakPolarHBondContact O-CB 3.35Å; V738-A741 PolarHBondContact O-N 3.44Å; A741-A743 PolarHBondContact O-N 2.96Å; A741-G744 PolarHBondContact O-N 2.94Å
742M96.8Very high97.8Very high157 Ų15749.4 Ų49.477%0.77331%0.309SS*.Hα-helixtrans-63.4-29.7175.2-63-54.2-71.200112.4V738 G739 G744V738-M742 HydrophobicContact CG1-CG 4.25Å; V738-M742 WeakPolarHBondContact O-CG 3.41Å; V738-M742 PolarHBondContact O-N 3.13Å; G739-M742 PolarHBondContact O-N 2.86Å; M742-G744 VanDerWaalsContact C-N 3.27Å; M742-G744 PolarHBondContact O-N 3.04Å
743A95.3Very high97.8Very high83 Ų8349.4 Ų49.469%0.68631%0.309SS*.THydrogen-bonded Turntrans-79.1-0.6173.300000114.4G739 S740 A741 S745G739-A743 WeakPolarHBondContact O-CB 3.3Å; G739-A743 PolarHBondContact O-N 3.18Å; S740-A743 PolarHBondContact O-N 2.78Å; A741-A743 PolarHBondContact O-N 2.96Å; A743-S745 VanDerWaalsContact C-N 3.25Å; A743-S745 PolarHBondContact O-N 3.29Å
744G97Very high97.8Very high61 Ų6147 Ų4763%0.62930%0.3SS*.THydrogen-bonded Turntrans67.522.5-176.800000114.3S740 A741 M742S740-G744 PolarHBondContact O-N 3.32Å; A741-G744 PolarHBondContact O-N 2.94Å; M742-G744 VanDerWaalsContact C-N 3.27Å; M742-G744 PolarHBondContact O-N 3.04Å
745S97.4Very high97.8Very high32 Ų3245.4 Ų45.422%0.22429%0.292CS..  trans-66.4139.1-177.7-172.40000111.9S740 A743 G748 Y749S740-S745 WeakPolarHBondContact O-CB 3.32Å; S740-S745 PolarHBondContact O-N 2.99Å; A743-S745 VanDerWaalsContact C-N 3.25Å; A743-S745 PolarHBondContact O-N 3.29Å; S745-G748 VanDerWaalsContact OG-CA 3.23Å; S745-G748 WeakPolarHBondContact OG-CA 3.28Å; S745-G748 PolarHBondContact OG-N 2.9Å; S745-G748 PolarHBondContact OG-O 3.48Å; S745-Y749 PolarHBondContact O-OH 3.23Å
746I97.6Very high97.8Very high98 Ų9842 Ų4250%0.50328%0.277SS..SBendtrans-120.8111.3170.8-60-64.5000107.9A695 W698 G748A695-I746 HydrophobicContact CB-CG2 4.05Å; W698-I746 HydrophobicContact CB-CG2 4.4Å; W698-I746 HydrophobicContact CG-CG2 4.46Å; I746-G748 PolarHBondContact O-N 3.39Å
747G95.8Very high97.8Very high0 Ų042 Ų420%028%0.277CS..SBendtrans80.7-11.1-179.300000115.8Y749 N776 C777G747-Y749 PolarHBondContact O-N 3.16Å; G747-N776 WeakPolarHBondContact O-CA 3.3Å; G747-C777 CarbonylContact O-C 3.59Å; G747-C777 PolarHBondContact O-N 3.4Å; G747-C777 VanDerWaalsContact O-O 3.05Å
748G98.1Very high97.9Very high26 Ų2641.4 Ų41.427%0.26828%0.275SS..EExtended strand (participates in β ladder)trans-90.46017100000112.6S740 S745 I746S740-G748 WeakPolarHBondContact CB-O 3.42Å; S740-G748 PolarHBondContact OG-O 3.1Å; S745-G748 VanDerWaalsContact OG-CA 3.23Å; S745-G748 WeakPolarHBondContact OG-CA 3.28Å; S745-G748 PolarHBondContact OG-N 2.9Å; S745-G748 PolarHBondContact OG-O 3.48Å; I746-G748 PolarHBondContact O-N 3.39Å
749Y98.7Very high97.9Very high51 Ų5138.2 Ų38.220%0.226%0.256CS..EExtended strand (participates in β ladder)trans-102.747.2178.8-62.3-75000111.3W698 N736 S745 G747 C777 I778 T779W698-Y749 HydrophobicContact CH2-CD2 4.37Å; W698-Y749 AromaticContact CZ2-CD2 3.95Å; W698-Y749 HydrophobicContact CZ2-CD2 3.95Å; W698-Y749 HydrophobicContact CZ2-CE2 4.29Å; N736-Y749 CarbonylContact O-C 3.46Å; N736-Y749 WeakPolarHBondContact O-CA 3.37Å; N736-Y749 WeakPolarHBondContact O-CB 3.5Å; N736-Y749 WeakPolarHBondContact O-CD1 3.24Å; S745-Y749 PolarHBondContact O-OH 3.23Å; G747-Y749 PolarHBondContact O-N 3.16Å; Y749-C777 CarbonylContact C-O 3.58Å; Y749-C777 VanDerWaalsContact C-O 3.32Å; Y749-C777 PolarHBondContact N-O 3.23Å; Y749-C777 VanDerWaalsContact N-O 3.08Å; Y749-I778 WeakPolarHBondContact O-CA 3.39Å; Y749-T779 PolarHBondContact O-N 2.74Å
750N98.8Very high97.9Very high19 Ų1936.6 Ų36.610%0.10224%0.24CC..SBendtrans-146.1176.8-171.364.386.7000111.8K735 N736 A753 C777 E850K735-N750 PolarHBondContact NZ-O 2.94Å; N736-N750 PolarHBondContact OD1-O 2.58Å; N750-A753 HydrophobicContact CB-CB 4.37Å; N750-A753 VanDerWaalsContact OD1-CB 3.29Å; N750-A753 WeakPolarHBondContact OD1-CB 3.32Å; N750-A753 PolarHBondContact OD1-N 3.46Å; N750-C777 HydrophobicContact CB-CB 4.01Å; N750-C777 PolarHBondContact ND2-O 2.96Å; N750-E850 WeakPolarHBondContact CB-OE2 3.48Å
751A98.2Very high98Very high24 Ų2435.9 Ų35.920%0.19824%0.235CC..SBendtrans-88.2-52.9-178.800000113.2N736 E850 L853 M854N736-A751 PolarHBondContact OD1-N 2.96Å; A751-E850 WeakPolarHBondContact CA-OE1 3.27Å; A751-E850 VanDerWaalsContact CB-OE1 3.28Å; A751-E850 WeakPolarHBondContact CB-OE1 3.49Å; A751-E850 VanDerWaalsContact N-CD 3.29Å; A751-E850 PolarHBondContact N-OE1 3.05Å; A751-E850 PolarHBondContact N-OE2 2.94Å; A751-L853 HydrophobicContact CB-CD2 3.83Å; A751-L853 HydrophobicContact CB-CG 4.33Å; A751-M854 HydrophobicContact CB-CG 3.94Å; A751-M854 HydrophobicContact CB-SD 3.61Å
752H98.4Very high98.1Very high22 Ų2236 Ų3610%0.10223%0.227CC..SBendtrans-160.135.4-177.773146.3000114.2A754 N755 G849 E850 L853H752-A754 PolarHBondContact O-N 3.43Å; H752-N755 HydrophobicContact CB-CB 4.39Å; H752-N755 PolarHBondContact O-N 3.34Å; H752-G849 PolarHBondContact NE2-O 3.25Å; H752-E850 IonicContact CD2-OE1 3.46Å; H752-E850 PolarHBondContact N-OE1 3.31Å; H752-L853 HydrophobicContact CB-CD2 3.65Å; H752-L853 WeakPolarHBondContact CD2-CD2 3.39Å
753A98.8Very high98.2Very high0 Ų028.8 Ų28.80%019%0.192CC..Hα-helixtrans-51.4-34.8-179.200000112.9N750 N755 I756 V757 C777 V846N750-A753 HydrophobicContact CB-CB 4.37Å; N750-A753 VanDerWaalsContact OD1-CB 3.29Å; N750-A753 WeakPolarHBondContact OD1-CB 3.32Å; N750-A753 PolarHBondContact OD1-N 3.46Å; A753-N755 VanDerWaalsContact C-N 3.35Å; A753-N755 PolarHBondContact O-N 3.45Å; A753-I756 PolarHBondContact O-N 3.16Å; A753-V757 WeakPolarHBondContact O-CB 3.43Å; A753-V757 VanDerWaalsContact O-CG2 3.27Å; A753-V757 WeakPolarHBondContact O-CG2 3.15Å; A753-V757 PolarHBondContact O-N 2.96Å; A753-C777 HydrophobicContact CB-CB 3.75Å; A753-V846 HydrophobicContact CB-CG1 3.65Å; A753-V846 HydrophobicContact CB-CG2 4.27Å
754A98.8Very high98.4Very high27 Ų2724.8 Ų24.822%0.22316%0.159CC..Hα-helixtrans-57.3-37174.900000114.5H752 T758H752-A754 PolarHBondContact O-N 3.43Å; A754-T758 WeakPolarHBondContact O-CB 3.34Å; A754-T758 PolarHBondContact O-N 3.39Å; A754-T758 PolarHBondContact O-OG1 3.16Å
755N98.7Very high98.4Very high58 Ų5822.3 Ų22.331%0.3113%0.134SC..Hα-helixtrans-68.2-44.1-179.7-69.119.2000110.3E559 L562 H752 A753 A759E559-N755 PolarHBondContact OE2-ND2 2.92Å; L562-N755 HydrophobicContact CD1-CB 3.76Å; L562-N755 HydrophobicContact CD2-CB 4Å; H752-N755 HydrophobicContact CB-CB 4.39Å; H752-N755 PolarHBondContact O-N 3.34Å; A753-N755 VanDerWaalsContact C-N 3.35Å; A753-N755 PolarHBondContact O-N 3.45Å; N755-A759 WeakPolarHBondContact O-CB 3.44Å; N755-A759 PolarHBondContact O-N 2.89Å
756I98.9Very high98.5Very high0 Ų022 Ų220%013%0.128CC..Hα-helixtrans-67.3-48.3178.7-51.4-61.7000111M555 L562 T566 A753 T758 A759 I760 T845 V846M555-I756 HydrophobicContact CE-CD1 3.82Å; M555-I756 HydrophobicContact CE-CG2 4.49Å; L562-I756 HydrophobicContact CD1-CD1 3.92Å; T566-I756 HydrophobicContact CG2-CD1 3.98Å; T566-I756 WeakPolarHBondContact OG1-CD1 3.5Å; A753-I756 PolarHBondContact O-N 3.16Å; I756-T758 PolarHBondContact O-N 3.5Å; I756-A759 PolarHBondContact O-N 3.21Å; I756-I760 HydrophobicContact CG2-CD1 3.88Å; I756-I760 WeakPolarHBondContact O-CG1 3.48Å; I756-I760 PolarHBondContact O-N 3.25Å; I756-I760 VanDerWaalsContact O-N 3.09Å; I756-T845 HydrophobicContact CG2-CG2 3.65Å; I756-V846 HydrophobicContact CB-CG2 3.89Å; I756-V846 HydrophobicContact CG2-CG2 3.94Å
757V98.9Very high98.5Very high0 Ų020 Ų200%012%0.119CC..Hα-helixtrans-54.6-53175.3166.80000110A753 A759 I760 Y761 M797 V842 V846A753-V757 WeakPolarHBondContact O-CB 3.43Å; A753-V757 VanDerWaalsContact O-CG2 3.27Å; A753-V757 WeakPolarHBondContact O-CG2 3.15Å; A753-V757 PolarHBondContact O-N 2.96Å; V757-A759 PolarHBondContact O-N 3.14Å; V757-I760 PolarHBondContact O-N 3.21Å; V757-Y761 HydrophobicContact CG1-CD1 3.87Å; V757-Y761 HydrophobicContact CG1-CD2 4.48Å; V757-Y761 HydrophobicContact CG1-CE1 3.76Å; V757-Y761 HydrophobicContact CG1-CE2 4.41Å; V757-Y761 HydrophobicContact CG1-CG 4.24Å; V757-Y761 VanDerWaalsContact O-CB 3.22Å; V757-Y761 WeakPolarHBondContact O-CB 3.38Å; V757-Y761 WeakPolarHBondContact O-CD1 3.23Å; V757-Y761 PolarHBondContact O-N 3.35Å; V757-M797 HydrophobicContact CG2-CE 3.71Å; V757-V842 HydrophobicContact CG2-CG1 3.94Å; V757-V846 HydrophobicContact CG2-CG2 4.04Å
758T98.9Very high98.7Very high36 Ų3622 Ų2222%0.22114%0.135CC..Hα-helixtrans-60.2-44.5-178.3-58.10000112.2A754 I756 I760 Y761 I762 N771A754-T758 WeakPolarHBondContact O-CB 3.34Å; A754-T758 PolarHBondContact O-N 3.39Å; A754-T758 PolarHBondContact O-OG1 3.16Å; I756-T758 PolarHBondContact O-N 3.5Å; T758-I760 PolarHBondContact O-N 2.95Å; T758-Y761 PolarHBondContact O-N 3.27Å; T758-I762 HydrophobicContact CG2-CD1 3.75Å; T758-I762 HydrophobicContact CG2-CG1 4.38Å; T758-I762 WeakPolarHBondContact O-CG1 3.32Å; T758-I762 PolarHBondContact O-N 2.83Å; T758-N771 VanDerWaalsContact OG1-CG 3.31Å; T758-N771 PolarHBondContact OG1-ND2 3.18Å; T758-N771 VanDerWaalsContact OG1-ND2 3.12Å
759A98.9Very high98.7Very high2 Ų223.1 Ų23.12%0.01714%0.142CC..Hα-helixtrans-65.9-39.7-177.800000112.9M555 A556 L562 N755 I756 V757 A763M555-A759 HydrophobicContact CB-CB 4.04Å; M555-A759 HydrophobicContact CE-CB 3.85Å; M555-A759 HydrophobicContact CG-CB 4.49Å; A556-A759 PolarHBondContact N-O 3.43Å; A556-A759 WeakPolarHBondContact O-CA 3.28Å; L562-A759 HydrophobicContact CD2-CB 4.18Å; N755-A759 WeakPolarHBondContact O-CB 3.44Å; N755-A759 PolarHBondContact O-N 2.89Å; I756-A759 PolarHBondContact O-N 3.21Å; V757-A759 PolarHBondContact O-N 3.14Å; A759-A763 WeakPolarHBondContact O-CB 3.42Å; A759-A763 PolarHBondContact O-N 3.46Å
760I98.9Very high98.7Very high0 Ų020.7 Ų20.70%013%0.133CC..Hα-helixtrans-70.7-39.7174-60.6168.8000110.2V553 I756 V757 T758 A763 C764 V842 T845V553-I760 HydrophobicContact CG1-CD1 3.85Å; V553-I760 HydrophobicContact CG1-CG1 3.91Å; I756-I760 HydrophobicContact CG2-CD1 3.88Å; I756-I760 WeakPolarHBondContact O-CG1 3.48Å; I756-I760 PolarHBondContact O-N 3.25Å; I756-I760 VanDerWaalsContact O-N 3.09Å; V757-I760 PolarHBondContact O-N 3.21Å; T758-I760 PolarHBondContact O-N 2.95Å; I760-A763 PolarHBondContact O-N 2.99Å; I760-C764 VanDerWaalsContact O-CB 3.25Å; I760-C764 WeakPolarHBondContact O-CB 3.44Å; I760-C764 PolarHBondContact O-N 3.47Å; I760-C764 PolarHBondContact O-SG 3.5Å; I760-C764 VanDerWaalsContact O-SG 3.36Å; I760-V842 HydrophobicContact CB-CG2 4.47Å; I760-V842 HydrophobicContact CD1-CG2 4.12Å; I760-V842 HydrophobicContact CG2-CG2 3.94Å; I760-T845 HydrophobicContact CD1-CG2 3.97Å
761Y98.9Very high98.7Very high0 Ų021.7 Ų21.70%014%0.138CC..Hα-helixtrans-62.6-45.4-177.6-88.644000112V757 T758 C764 G765 Q766 S774 I800 E801 I802 V842V757-Y761 HydrophobicContact CG1-CD1 3.87Å; V757-Y761 HydrophobicContact CG1-CD2 4.48Å; V757-Y761 HydrophobicContact CG1-CE1 3.76Å; V757-Y761 HydrophobicContact CG1-CE2 4.41Å; V757-Y761 HydrophobicContact CG1-CG 4.24Å; V757-Y761 VanDerWaalsContact O-CB 3.22Å; V757-Y761 WeakPolarHBondContact O-CB 3.38Å; V757-Y761 WeakPolarHBondContact O-CD1 3.23Å; V757-Y761 PolarHBondContact O-N 3.35Å; T758-Y761 PolarHBondContact O-N 3.27Å; Y761-C764 PolarHBondContact O-N 2.88Å; Y761-G765 PolarHBondContact O-N 3.3Å; Y761-G765 VanDerWaalsContact O-N 3.15Å; Y761-Q766 HydrophobicContact CD1-CB 4.27Å; Y761-Q766 HydrophobicContact CD1-CG 4.15Å; Y761-Q766 HydrophobicContact CD2-CB 3.44Å; Y761-Q766 VanDerWaalsContact CD2-CB 3.44Å; Y761-Q766 HydrophobicContact CD2-CG 4.19Å; Y761-Q766 HydrophobicContact CE2-CB 4.02Å; Y761-Q766 HydrophobicContact CG-CB 3.57Å; Y761-Q766 HydrophobicContact CG-CG 3.94Å; Y761-Q766 PolarHBondContact O-N 2.96Å; Y761-S774 WeakPolarHBondContact OH-CB 3.34Å; Y761-S774 PolarHBondContact OH-OG 3.49Å; Y761-I800 WeakPolarHBondContact OH-CG2 3.24Å; Y761-E801 WeakPolarHBondContact CE2-O 3.32Å; Y761-E801 PolarHBondContact OH-O 2.97Å; Y761-I802 HydrophobicContact CE1-CD1 3.69Å; Y761-I802 HydrophobicContact CE1-CG1 4.18Å; Y761-V842 HydrophobicContact CE1-CG2 4.46Å
762I98.9Very high98.7Very high61 Ų6123.3 Ų23.331%0.31315%0.145SC..Hα-helixtrans-65.4-43.6176.9-64.9169.5000110.7I536 A556 T758 C764 A768I536-I762 HydrophobicContact CG1-CG2 4.34Å; I536-I762 HydrophobicContact CG2-CG2 4.48Å; A556-I762 HydrophobicContact CB-CB 3.94Å; A556-I762 HydrophobicContact CB-CG2 3.63Å; T758-I762 HydrophobicContact CG2-CD1 3.75Å; T758-I762 HydrophobicContact CG2-CG1 4.38Å; T758-I762 WeakPolarHBondContact O-CG1 3.32Å; T758-I762 PolarHBondContact O-N 2.83Å; I762-C764 PolarHBondContact O-N 3.42Å; I762-A768 HydrophobicContact CG1-CB 4.12Å
763A98.8Very high98.7Very high4 Ų422.4 Ų22.43%0.03314%0.142CC..Hα-helixtrans-62.7-42.917800000112.3P554 A556 A759 I760 Q814 C817P554-A763 HydrophobicContact CB-CB 4.17Å; P554-A763 HydrophobicContact CG-CB 4.44Å; A556-A763 HydrophobicContact CB-CB 3.86Å; A759-A763 WeakPolarHBondContact O-CB 3.42Å; A759-A763 PolarHBondContact O-N 3.46Å; I760-A763 PolarHBondContact O-N 2.99Å; A763-Q814 WeakPolarHBondContact O-CA 3.46Å; A763-C817 HydrophobicContact CB-CB 4.4Å; A763-C817 WeakPolarHBondContact O-CB 3.43Å; A763-C817 PolarHBondContact O-SG 3.48Å
764C98.8Very high98.7Very high0 Ų022.4 Ų22.40%014%0.142CC..THydrogen-bonded Turntrans-94.213.9-173.3-60.70000114I760 Y761 I762 Q766 L818I760-C764 VanDerWaalsContact O-CB 3.25Å; I760-C764 WeakPolarHBondContact O-CB 3.44Å; I760-C764 PolarHBondContact O-N 3.47Å; I760-C764 PolarHBondContact O-SG 3.5Å; I760-C764 VanDerWaalsContact O-SG 3.36Å; Y761-C764 PolarHBondContact O-N 2.88Å; I762-C764 PolarHBondContact O-N 3.42Å; C764-Q766 VanDerWaalsContact C-N 3.35Å; C764-Q766 HydrophobicContact CB-CG 4.31Å; C764-Q766 PolarHBondContact O-N 3.46Å; C764-Q766 PolarHBondContact O-NE2 2.86Å; C764-L818 HydrophobicContact CB-CD2 3.78Å; C764-L818 HydrophobicContact CB-CG 4.15Å
765G98.3Very high98.7Very high9 Ų922.2 Ų22.29%0.09314%0.139CC..THydrogen-bonded Turntrans67.62817400000115.7Y761 G808 T809Y761-G765 PolarHBondContact O-N 3.3Å; Y761-G765 VanDerWaalsContact O-N 3.15Å; G765-G808 CarbonylContact O-C 3.56Å; G765-G808 VanDerWaalsContact O-CA 3.23Å; G765-G808 WeakPolarHBondContact O-CA 3.41Å; G765-G808 PolarHBondContact O-N 3.05Å; G765-T809 PolarHBondContact O-N 3.32Å
766Q98.7Very high98.7Very high24 Ų2420.1 Ų20.111%0.11213%0.128CC..  trans-82.9168.6177.1-51-57.9-60.300111.5Y761 C764 A768 I802 G803Y761-Q766 HydrophobicContact CD1-CB 4.27Å; Y761-Q766 HydrophobicContact CD1-CG 4.15Å; Y761-Q766 HydrophobicContact CD2-CB 3.44Å; Y761-Q766 VanDerWaalsContact CD2-CB 3.44Å; Y761-Q766 HydrophobicContact CD2-CG 4.19Å; Y761-Q766 HydrophobicContact CE2-CB 4.02Å; Y761-Q766 HydrophobicContact CG-CB 3.57Å; Y761-Q766 HydrophobicContact CG-CG 3.94Å; Y761-Q766 PolarHBondContact O-N 2.96Å; C764-Q766 VanDerWaalsContact C-N 3.35Å; C764-Q766 HydrophobicContact CB-CG 4.31Å; C764-Q766 PolarHBondContact O-N 3.46Å; C764-Q766 PolarHBondContact O-NE2 2.86Å; Q766-A768 PolarHBondContact O-N 2.65Å; Q766-A768 VanDerWaalsContact O-N 3.1Å; Q766-I802 HydrophobicContact CG-CG1 4.1Å; Q766-G803 VanDerWaalsContact CD-O 3.29Å; Q766-G803 PolarHBondContact NE2-O 3.19Å; Q766-G803 PolarHBondContact OE1-O 3.36Å
767D98.6Very high98.7Very high56 Ų5620.1 Ų20.130%0.29913%0.128SC..  trans-77.195.1174.7-167.1-42.1000110.1M655 K691 A769 Q770M655-D767 HydrophobicContact CE-CB 4.46Å; K691-D767 WeakPolarHBondContact CE-OD1 3.49Å; K691-D767 WeakPolarHBondContact CE-OD2 3.44Å; K691-D767 IonicContact NZ-OD1 2.68Å; K691-D767 PolarHBondContact NZ-OD1 3.23Å; K691-D767 IonicContact NZ-OD2 2.95Å; K691-D767 PolarHBondContact NZ-OD2 3.27Å; D767-A769 PolarHBondContact O-N 2.97Å; D767-A769 PolarHBondContact OD1-N 3.07Å; D767-Q770 HydrophobicContact CB-CB 4.46Å; D767-Q770 HydrophobicContact CB-CG 3.94Å; D767-Q770 WeakPolarHBondContact O-CB 3.45Å; D767-Q770 PolarHBondContact O-N 3.37Å
768A98.4Very high98.7Very high42 Ų4222.1 Ų22.135%0.34714%0.138SC..G310 helixtrans-60.2-19.9-174.800000114.1I762 Q766 Q770 N771I762-A768 HydrophobicContact CG1-CB 4.12Å; Q766-A768 PolarHBondContact O-N 2.65Å; Q766-A768 VanDerWaalsContact O-N 3.1Å; A768-Q770 VanDerWaalsContact C-N 3.26Å; A768-Q770 PolarHBondContact O-N 3.1Å; A768-N771 WeakPolarHBondContact O-CB 3.26Å; A768-N771 PolarHBondContact O-N 3.25Å
769A98.4Very high98.7Very high50 Ų5020.4 Ų20.441%0.41313%0.127SC..G310 helixtrans-74.8-15.9173.800000113K691 D767 N771K691-A769 HydrophobicContact CD-CB 3.81Å; K691-A769 HydrophobicContact CG-CB 4.25Å; D767-A769 PolarHBondContact O-N 2.97Å; D767-A769 PolarHBondContact OD1-N 3.07Å; A769-N771 PolarHBondContact O-N 2.9Å
770Q98.5Very high98.7Very high1 Ų123 Ų231%0.00514%0.141CC..G310 helixtrans-76.4-5.8172.2-65.4-170.6-44.700113.4M655 D690 K691 D767 A768 V772 G773 S774 E801M655-Q770 VanDerWaalsContact CE-OE1 3.28Å; M655-Q770 PolarHBondContact SD-OE1 3.05Å; D690-Q770 PolarHBondContact OD1-NE2 3.5Å; D690-Q770 VanDerWaalsContact OD1-NE2 3.09Å; K691-Q770 HydrophobicContact CG-CG 4.02Å; D767-Q770 HydrophobicContact CB-CB 4.46Å; D767-Q770 HydrophobicContact CB-CG 3.94Å; D767-Q770 WeakPolarHBondContact O-CB 3.45Å; D767-Q770 PolarHBondContact O-N 3.37Å; A768-Q770 VanDerWaalsContact C-N 3.26Å; A768-Q770 PolarHBondContact O-N 3.1Å; Q770-V772 PolarHBondContact O-N 3.4Å; Q770-V772 VanDerWaalsContact O-N 3.12Å; Q770-G773 PolarHBondContact O-N 3.25Å; Q770-G773 VanDerWaalsContact O-N 3.07Å; Q770-S774 VanDerWaalsContact O-CB 3.24Å; Q770-S774 WeakPolarHBondContact O-CB 3.34Å; Q770-S774 PolarHBondContact O-N 3.4Å; Q770-S774 PolarHBondContact O-OG 3.42Å; Q770-E801 HydrophobicContact CB-CB 4.02Å; Q770-E801 VanDerWaalsContact CB-OE1 3.32Å; Q770-E801 WeakPolarHBondContact CB-OE1 3.43Å; Q770-E801 HydrophobicContact CG-CB 4.4Å; Q770-E801 WeakPolarHBondContact CG-OE1 3.31Å; Q770-E801 PolarHBondContact NE2-OE1 2.93Å
771N98.8Very high98.7Very high40 Ų4023.4 Ų23.421%0.21414%0.142CC..Hα-helixtrans-39.6-46.7162.6172.320.5000111.6T758 A768 A769 G773 S774 S775T758-N771 VanDerWaalsContact OG1-CG 3.31Å; T758-N771 PolarHBondContact OG1-ND2 3.18Å; T758-N771 VanDerWaalsContact OG1-ND2 3.12Å; A768-N771 WeakPolarHBondContact O-CB 3.26Å; A768-N771 PolarHBondContact O-N 3.25Å; A769-N771 PolarHBondContact O-N 2.9Å; N771-G773 PolarHBondContact O-N 3.32Å; N771-S774 PolarHBondContact O-N 3.42Å; N771-S774 VanDerWaalsContact O-N 3.09Å; N771-S775 VanDerWaalsContact O-CB 3.3Å; N771-S775 WeakPolarHBondContact O-CB 3.34Å; N771-S775 PolarHBondContact O-N 3.23Å; N771-S775 PolarHBondContact O-OG 2.91Å; N771-S775 WeakPolarHBondContact OD1-CB 3.45Å
772V98.3Very high98.7Very high58 Ų5828.6 Ų28.635%0.35217%0.167SC..Hα-helixtrans-53.5-31.4-177.5-178.50000114.6Q770Q770-V772 PolarHBondContact O-N 3.4Å; Q770-V772 VanDerWaalsContact O-N 3.12Å
773G98Very high98.6Very high2 Ų227.9 Ų27.92%0.02117%0.17CC..Hα-helixtrans-105.5-28.3172.500000113.5Q770 N771 N776 S799 E801Q770-G773 PolarHBondContact O-N 3.25Å; Q770-G773 VanDerWaalsContact O-N 3.07Å; N771-G773 PolarHBondContact O-N 3.32Å; G773-N776 WeakPolarHBondContact O-CB 3.37Å; G773-N776 PolarHBondContact O-N 2.73Å; G773-N776 PolarHBondContact O-ND2 2.9Å; G773-S799 CarbonylContact C-O 3.42Å; G773-S799 PolarHBondContact O-OG 3.2Å; G773-E801 VanDerWaalsContact CA-OE2 3.27Å; G773-E801 WeakPolarHBondContact CA-OE2 3.2Å
774S98.8Very high98.6Very high0 Ų029.5 Ų29.50%018%0.181CC..Hα-helixtrans-80.1-16.4-176.7-56.80000114.2Y761 Q770 N771 N776 M797 S799 E801Y761-S774 WeakPolarHBondContact OH-CB 3.34Å; Y761-S774 PolarHBondContact OH-OG 3.49Å; Q770-S774 VanDerWaalsContact O-CB 3.24Å; Q770-S774 WeakPolarHBondContact O-CB 3.34Å; Q770-S774 PolarHBondContact O-N 3.4Å; Q770-S774 PolarHBondContact O-OG 3.42Å; N771-S774 PolarHBondContact O-N 3.42Å; N771-S774 VanDerWaalsContact O-N 3.09Å; S774-N776 VanDerWaalsContact C-N 3.35Å; S774-M797 WeakPolarHBondContact O-CE 3.26Å; S774-S799 WeakPolarHBondContact CA-O 3.45Å; S774-E801 WeakPolarHBondContact OG-CB 3.31Å; S774-E801 PolarHBondContact OG-N 2.99Å
775S98.8Very high98.4Very high23 Ų2330.9 Ų30.916%0.16120%0.195CC..THydrogen-bonded Turntrans-87-1.417371.20000114N771 C777N771-S775 VanDerWaalsContact O-CB 3.3Å; N771-S775 WeakPolarHBondContact O-CB 3.34Å; N771-S775 PolarHBondContact O-N 3.23Å; N771-S775 PolarHBondContact O-OG 2.91Å; N771-S775 WeakPolarHBondContact OD1-CB 3.45Å; S775-C777 PolarHBondContact O-N 3.36Å; S775-C777 VanDerWaalsContact O-N 3.1Å
776N98.9Very high98.3Very high15 Ų1537 Ų378%0.0823%0.234CC..  trans-55.2115.4170.4-85.9-19.9000109.2W698 G747 G773 S774 M797 P798 S799W698-N776 HydrophobicContact CE3-CB 3.88Å; W698-N776 HydrophobicContact CZ3-CB 4.07Å; G747-N776 WeakPolarHBondContact O-CA 3.3Å; G773-N776 WeakPolarHBondContact O-CB 3.37Å; G773-N776 PolarHBondContact O-N 2.73Å; G773-N776 PolarHBondContact O-ND2 2.9Å; S774-N776 VanDerWaalsContact C-N 3.35Å; N776-M797 VanDerWaalsContact O-CA 3.32Å; N776-M797 WeakPolarHBondContact O-CA 3.41Å; N776-P798 HydrophobicContact CB-CG 4.48Å; N776-S799 WeakPolarHBondContact CB-OG 3.29Å; N776-S799 PolarHBondContact ND2-OG 2.97Å
777C98.9Very high98.1Very high0 Ų040.1 Ų40.10%025%0.254CS..EExtended strand (participates in β ladder)trans-153.3134.3-177.1-1730000110.2G747 Y749 N750 A753 S775 T796 M797G747-C777 CarbonylContact O-C 3.59Å; G747-C777 PolarHBondContact O-N 3.4Å; G747-C777 VanDerWaalsContact O-O 3.05Å; Y749-C777 CarbonylContact C-O 3.58Å; Y749-C777 VanDerWaalsContact C-O 3.32Å; Y749-C777 PolarHBondContact N-O 3.23Å; Y749-C777 VanDerWaalsContact N-O 3.08Å; N750-C777 HydrophobicContact CB-CB 4.01Å; N750-C777 PolarHBondContact ND2-O 2.96Å; A753-C777 HydrophobicContact CB-CB 3.75Å; S775-C777 PolarHBondContact O-N 3.36Å; S775-C777 VanDerWaalsContact O-N 3.1Å; C777-T796 WeakPolarHBondContact CA-O 3.33Å; C777-M797 HydrophobicContact CB-CG 3.81Å
778I98.9Very high98Very high41 Ų4142.7 Ų42.721%0.2127%0.268CS..EExtended strand (participates in β ladder)trans-105.1129159.5-176164.9000109.1W698 L737 Y749 L780 C795 T796W698-I778 HydrophobicContact CH2-CB 3.79Å; W698-I778 HydrophobicContact CH2-CG2 3.82Å; W698-I778 HydrophobicContact CZ2-CB 4.26Å; W698-I778 HydrophobicContact CZ2-CG2 4.3Å; L737-I778 HydrophobicContact CD2-CD1 3.97Å; L737-I778 HydrophobicContact CD2-CG1 4.15Å; Y749-I778 WeakPolarHBondContact O-CA 3.39Å; I778-L780 HydrophobicContact CD1-CD2 4Å; I778-L780 HydrophobicContact CG1-CD2 4.02Å; I778-L780 HydrophobicContact CG1-CG 4.23Å; I778-C795 WeakPolarHBondContact O-CA 3.23Å; I778-T796 PolarHBondContact N-O 2.81Å; I778-T796 PolarHBondContact O-N 2.92Å
779T98.9Very high98Very high0 Ų044.7 Ų44.70%027%0.27CS..EExtended strand (participates in β ladder)trans-107.1121175.7-57.20000108.7N732 Y749 M781 I793 S794 E850N732-T779 PolarHBondContact ND2-O 2.96Å; N732-T779 PolarHBondContact OD1-O 2.91Å; Y749-T779 PolarHBondContact O-N 2.74Å; T779-M781 HydrophobicContact CG2-CE 3.82Å; T779-I793 HydrophobicContact CG2-CD1 4.18Å; T779-I793 HydrophobicContact CG2-CG1 4.37Å; T779-S794 WeakPolarHBondContact CA-O 3.38Å; T779-E850 WeakPolarHBondContact CB-OE2 3.44Å; T779-E850 HydrophobicContact CG2-CB 4.2Å; T779-E850 HydrophobicContact CG2-CG 4.29Å; T779-E850 PolarHBondContact OG1-OE2 3.49Å
780L98.9Very high98Very high57 Ų5744.1 Ų44.130%0.29826%0.26SS..EExtended strand (participates in β ladder)trans-114143.1177.2-61.2177.9000109.6L737 I778 I793 S794L737-L780 HydrophobicContact CD1-CD2 4.2Å; L737-L780 HydrophobicContact CD2-CD2 4.06Å; I778-L780 HydrophobicContact CD1-CD2 4Å; I778-L780 HydrophobicContact CG1-CD2 4.02Å; I778-L780 HydrophobicContact CG1-CG 4.23Å; L780-I793 WeakPolarHBondContact O-CA 3.32Å; L780-S794 PolarHBondContact N-O 2.93Å; L780-S794 PolarHBondContact O-N 3.49Å
781M98.9Very high98Very high8 Ų844 Ų444%0.03926%0.26CS..EExtended strand (participates in β ladder)trans-140.2130.4179.9-67-170.3-161.500109.2M728 I729 N732 T779 L791 Y792 I793 M854M728-M781 HydrophobicContact CB-SD 4.13Å; M728-M781 HydrophobicContact CE-CE 4.11Å; M728-M781 HydrophobicContact CE-SD 3.89Å; I729-M781 HydrophobicContact CG1-CB 4.19Å; N732-M781 HydrophobicContact CB-CB 3.96Å; N732-M781 HydrophobicContact CB-CE 4.37Å; N732-M781 HydrophobicContact CB-CG 3.96Å; N732-M781 HydrophobicContact CB-SD 3.85Å; T779-M781 HydrophobicContact CG2-CE 3.82Å; M781-L791 HydrophobicContact CB-CD1 4.06Å; M781-L791 HydrophobicContact CG-CD1 4.43Å; M781-L791 HydrophobicContact SD-CD1 4.37Å; M781-Y792 WeakPolarHBondContact CA-O 3.29Å; M781-I793 HydrophobicContact CE-CD1 3.79Å; M781-I793 HydrophobicContact CE-CG1 4.42Å; M781-I793 HydrophobicContact CG-CB 4.38Å; M781-I793 HydrophobicContact CG-CD1 4.43Å; M781-I793 HydrophobicContact CG-CG1 4.09Å; M781-M854 HydrophobicContact CE-CB 3.93Å; M781-M854 HydrophobicContact CE-CE 4.49Å; M781-M854 HydrophobicContact CE-CG 3.8Å
782E98.6Very high98Very high109 Ų10944.9 Ų44.951%0.50926%0.26SS..EExtended strand (participates in β ladder)trans-141.2161.3-176.8-59.9176.4-132.900110.5I729 Y792I729-E782 VanDerWaalsContact CD1-C 3.47Å; E782-Y792 HydrophobicContact CB-CD1 4.05Å; E782-Y792 HydrophobicContact CG-CD1 4.39Å; E782-Y792 PolarHBondContact N-O 2.65Å; E782-Y792 PolarHBondContact O-N 3Å
783A98.4Very high98Very high47 Ų4742.1 Ų42.139%0.38824%0.244SC..EExtended strand (participates in β ladder)trans-79.9145.7176.400000110.6I729 N788I729-A783 HydrophobicContact CD1-CB 3.92Å; A783-N788 HydrophobicContact CB-CB 3.96Å
784S97.6Very high98.1Very high37 Ų3742.3 Ų42.326%0.25925%0.245SC..EExtended strand (participates in β ladder)trans-151.1175.1-172.4-154.40000112.7N788 E789 D790S784-N788 CarbonylContact O-C 3.4Å; S784-N788 WeakPolarHBondContact O-CA 3.43Å; S784-N788 PolarHBondContact O-N 2.92Å; S784-E789 PolarHBondContact O-N 3.43Å; S784-D790 WeakPolarHBondContact CA-O 3.44Å; S784-D790 WeakPolarHBondContact CB-O 3.33Å; S784-D790 PolarHBondContact N-O 3.07Å; S784-D790 WeakPolarHBondContact O-CB 3.42Å; S784-D790 PolarHBondContact O-N 3.45Å
785G95.3Very high98.1Very high29 Ų2942.3 Ų42.330%0.29925%0.245SC..SBendtrans73.2171.7-174.500000113.6T787 N788G785-T787 PolarHBondContact O-N 2.97Å; G785-T787 VanDerWaalsContact O-N 3.08Å; G785-N788 PolarHBondContact O-N 3.3Å; G785-N788 VanDerWaalsContact O-N 3.16Å
786P95.4Very high98.1Very high139 Ų13943.2 Ų43.290%0.90325%0.249SC*.THydrogen-bonded Turntrans-62.4-19.5-173-24.435.1000115.4
787T95.9Very high98.1Very high89 Ų8942.5 Ų42.555%0.54625%0.245SC..THydrogen-bonded Turntrans-109-0.4-179.455.80000113.7G785 E789G785-T787 PolarHBondContact O-N 2.97Å; G785-T787 VanDerWaalsContact O-N 3.08Å; T787-E789 PolarHBondContact O-N 2.93Å
788N96.5Very high98.1Very high109 Ų10943.3 Ų43.358%0.58325%0.251SS*.SBendtrans58.817.7-168.9-60.5-63.8000114.3A783 S784 G785A783-N788 HydrophobicContact CB-CB 3.96Å; S784-N788 CarbonylContact O-C 3.4Å; S784-N788 WeakPolarHBondContact O-CA 3.43Å; S784-N788 PolarHBondContact O-N 2.92Å; G785-N788 PolarHBondContact O-N 3.3Å; G785-N788 VanDerWaalsContact O-N 3.16Å
789E97.1Very high98.1Very high85 Ų8541.3 Ų41.340%0.39724%0.241SC..  trans-85.8-19.4175.1-74.4-173.6-120.300113.7A714 R718 T725 S784 T787A714-E789 HydrophobicContact CB-CB 3.53Å; A714-E789 VanDerWaalsContact CB-O 3.3Å; A714-E789 WeakPolarHBondContact CB-O 3.33Å; R718-E789 IonicContact CZ-OE2 3.08Å; R718-E789 IonicContact NH1-OE2 2.77Å; R718-E789 PolarHBondContact NH1-OE2 3Å; R718-E789 VanDerWaalsContact NH1-OE2 3.08Å; R718-E789 IonicContact NH2-OE2 2.79Å; R718-E789 PolarHBondContact NH2-OE2 3Å; T725-E789 VanDerWaalsContact CB-O 3.28Å; T725-E789 WeakPolarHBondContact CB-O 3.5Å; T725-E789 PolarHBondContact OG1-O 3.5Å; S784-E789 PolarHBondContact O-N 3.43Å; T787-E789 PolarHBondContact O-N 2.93Å
790D98.6Very high98.1Very high37 Ų3741.3 Ų41.320%0.19824%0.241CC..EExtended strand (participates in β ladder)trans-84.4143.7-178-59.6-38.6000110.7V711 P713 A714 S784V711-D790 HydrophobicContact CG1-CB 3.91Å; P713-D790 VanDerWaalsContact CA-OD1 3.23Å; P713-D790 WeakPolarHBondContact CA-OD1 3.42Å; A714-D790 PolarHBondContact N-OD1 2.9Å; S784-D790 WeakPolarHBondContact CA-O 3.44Å; S784-D790 WeakPolarHBondContact CB-O 3.33Å; S784-D790 PolarHBondContact N-O 3.07Å; S784-D790 WeakPolarHBondContact O-CB 3.42Å; S784-D790 PolarHBondContact O-N 3.45Å
791L98.8Very high98.1Very high0 Ų038.6 Ų38.60%023%0.226CC..EExtended strand (participates in β ladder)trans-94.5108.5-177177.367.7000110.5V711 I712 V717 T725 M728 I729 M781 L851V711-L791 CarbonylContact C-O 3.55Å; V711-L791 WeakPolarHBondContact CA-O 3.46Å; I712-L791 HydrophobicContact CB-CB 4.35Å; I712-L791 PolarHBondContact N-O 3.18Å; I712-L791 PolarHBondContact O-N 2.72Å; V717-L791 HydrophobicContact CG2-CB 3.97Å; V717-L791 HydrophobicContact CG2-CD2 4.49Å; T725-L791 HydrophobicContact CG2-CB 3.88Å; T725-L791 HydrophobicContact CG2-CD1 4.04Å; M728-L791 HydrophobicContact CB-CD1 4.01Å; M728-L791 HydrophobicContact CB-CD2 3.96Å; M728-L791 HydrophobicContact CE-CD2 3.7Å; M728-L791 HydrophobicContact CG-CD2 4.01Å; I729-L791 HydrophobicContact CD1-CD1 4.46Å; I729-L791 HydrophobicContact CG1-CD1 3.97Å; M781-L791 HydrophobicContact CB-CD1 4.06Å; M781-L791 HydrophobicContact CG-CD1 4.43Å; M781-L791 HydrophobicContact SD-CD1 4.37Å; L791-L851 HydrophobicContact CD2-CD2 3.79Å
792Y98.9Very high98.1Very high57 Ų5738.3 Ų38.322%0.22423%0.225CC..EExtended strand (participates in β ladder)trans-75.5136.3161.3170.2-102.3000109.2E709 V711 M781 E782E709-Y792 HydrophobicContact CB-CE2 4.09Å; V711-Y792 HydrophobicContact CG2-CD2 4.15Å; M781-Y792 WeakPolarHBondContact CA-O 3.29Å; E782-Y792 HydrophobicContact CB-CD1 4.05Å; E782-Y792 HydrophobicContact CG-CD1 4.39Å; E782-Y792 PolarHBondContact N-O 2.65Å; E782-Y792 PolarHBondContact O-N 3Å
793I98.9Very high98.1Very high0 Ų033.2 Ų33.20%020%0.202CC..EExtended strand (participates in β ladder)trans-133.8143.2171-176.9175.5000109.9E709 A710 T779 L780 M781 M847 E850 L851E709-I793 WeakPolarHBondContact CA-O 3.23Å; A710-I793 HydrophobicContact CB-CG2 4.28Å; A710-I793 PolarHBondContact N-O 3.35Å; A710-I793 PolarHBondContact O-N 3.19Å; T779-I793 HydrophobicContact CG2-CD1 4.18Å; T779-I793 HydrophobicContact CG2-CG1 4.37Å; L780-I793 WeakPolarHBondContact O-CA 3.32Å; M781-I793 HydrophobicContact CE-CD1 3.79Å; M781-I793 HydrophobicContact CE-CG1 4.42Å; M781-I793 HydrophobicContact CG-CB 4.38Å; M781-I793 HydrophobicContact CG-CD1 4.43Å; M781-I793 HydrophobicContact CG-CG1 4.09Å; I793-M847 HydrophobicContact CD1-CG 3.76Å; I793-M847 HydrophobicContact CG1-CG 4.02Å; I793-M847 HydrophobicContact CG1-SD 4.39Å; I793-M847 HydrophobicContact CG2-CG 4.1Å; I793-M847 HydrophobicContact CG2-SD 3.91Å; I793-E850 HydrophobicContact CD1-CB 4.46Å; I793-L851 HydrophobicContact CB-CD2 4.38Å; I793-L851 HydrophobicContact CD1-CD2 3.74Å; I793-L851 HydrophobicContact CD1-CG 3.67Å; I793-L851 HydrophobicContact CG2-CD1 4.26Å; I793-L851 HydrophobicContact CG2-CD2 4.03Å; I793-L851 HydrophobicContact CG2-CG 4.28Å
794S98.9Very high98.1Very high6 Ų631 Ų314%0.04218%0.184CC..EExtended strand (participates in β ladder)trans-136.7149.7162.458.50000112.4C708 T779 L780C708-S794 CarbonylContact O-C 3.59Å; C708-S794 WeakPolarHBondContact O-CA 3.31Å; C708-S794 WeakPolarHBondContact O-CB 3.45Å; T779-S794 WeakPolarHBondContact CA-O 3.38Å; L780-S794 PolarHBondContact N-O 2.93Å; L780-S794 PolarHBondContact O-N 3.49Å
795C98.9Very high98.1Very high0 Ų032 Ų320%019%0.188CC..EExtended strand (participates in β ladder)trans-121.9126.6169.7-70.90000109V707 C708 I778 M847V707-C795 WeakPolarHBondContact CA-O 3.15Å; C708-C795 PolarHBondContact N-O 3.47Å; C708-C795 PolarHBondContact O-N 2.95Å; I778-C795 WeakPolarHBondContact O-CA 3.23Å; C795-M847 HydrophobicContact CB-CB 4.21Å; C795-M847 HydrophobicContact CB-CG 4.49Å
796T98.9Very high98Very high42 Ų4232.1 Ų32.126%0.25819%0.189SC..EExtended strand (participates in β ladder)trans-116.1121.2175.1-59.40000110.4V707 C777 I778V707-T796 WeakPolarHBondContact CG2-OG1 3.46Å; C777-T796 WeakPolarHBondContact CA-O 3.33Å; I778-T796 PolarHBondContact N-O 2.81Å; I778-T796 PolarHBondContact O-N 2.92Å
797M98.9Very high98Very high0 Ų027.7 Ų27.70%017%0.168CC..EExtended strand (participates in β ladder)trans-122.195.2-175-62-178.274.100109.9S705 V706 V757 S774 N776 C777 S799 I800 C843 V846S705-M797 WeakPolarHBondContact CA-O 3.28Å; V706-M797 PolarHBondContact N-O 3.2Å; V706-M797 PolarHBondContact O-N 3.44Å; V757-M797 HydrophobicContact CG2-CE 3.71Å; S774-M797 WeakPolarHBondContact O-CE 3.26Å; N776-M797 VanDerWaalsContact O-CA 3.32Å; N776-M797 WeakPolarHBondContact O-CA 3.41Å; C777-M797 HydrophobicContact CB-CG 3.81Å; M797-S799 VanDerWaalsContact C-N 3.33Å; M797-S799 PolarHBondContact O-N 3.04Å; M797-I800 HydrophobicContact CB-CD1 3.8Å; M797-I800 HydrophobicContact CB-CG1 3.83Å; M797-I800 HydrophobicContact CE-CD1 4.05Å; M797-I800 HydrophobicContact CE-CG1 4.06Å; M797-I800 HydrophobicContact CG-CD1 4.49Å; M797-I800 HydrophobicContact SD-CD1 3.94Å; M797-I800 HydrophobicContact SD-CG1 4.5Å; M797-C843 HydrophobicContact SD-CB 4.05Å; M797-V846 HydrophobicContact CE-CG2 4Å; M797-V846 HydrophobicContact SD-CB 3.99Å; M797-V846 HydrophobicContact SD-CG1 4.02Å; M797-V846 HydrophobicContact SD-CG2 3.87Å
798P98.8Very high98.1Very high17 Ų1724.5 Ų24.511%0.1115%0.153CC..EExtended strand (participates in β ladder)trans-77-12.6-170.429-34.9000114.9W698 G701 R702 S705 N776W698-P798 HydrophobicContact CD2-CG 4.17Å; W698-P798 HydrophobicContact CE3-CG 3.36Å; W698-P798 HydrophobicContact CH2-CG 4.47Å; W698-P798 VanDerWaalsContact CZ3-CD 3.5Å; W698-P798 HydrophobicContact CZ3-CG 3.55Å; G701-P798 VanDerWaalsContact CA-O 3.22Å; G701-P798 WeakPolarHBondContact CA-O 3.39Å; R702-P798 PolarHBondContact N-O 3.43Å; S705-P798 WeakPolarHBondContact CB-O 3.27Å; S705-P798 PolarHBondContact OG-O 3.35Å; N776-P798 HydrophobicContact CB-CG 4.48Å
799S98.8Very high98.1Very high0 Ų019.5 Ų19.50%013%0.126CC..EExtended strand (participates in β ladder)trans-138.347.6-169.854.60000116.3R702 G773 S774 N776 M797 E801R702-S799 CarbonylContact O-C 3.57Å; R702-S799 WeakPolarHBondContact O-CA 3.49Å; G773-S799 CarbonylContact C-O 3.42Å; G773-S799 PolarHBondContact O-OG 3.2Å; S774-S799 WeakPolarHBondContact CA-O 3.45Å; N776-S799 WeakPolarHBondContact CB-OG 3.29Å; N776-S799 PolarHBondContact ND2-OG 2.97Å; M797-S799 VanDerWaalsContact C-N 3.33Å; M797-S799 PolarHBondContact O-N 3.04Å; S799-E801 PolarHBondContact O-N 2.68Å
800I98.9Very high98.2Very high0 Ų018.8 Ų18.80%013%0.126CC..EExtended strand (participates in β ladder)trans-72.9109.8175.5-56.9-178.9000110.3K704 V706 Y761 M797 I802 A839 V842 C843K704-I800 HydrophobicContact CB-CB 4.32Å; K704-I800 PolarHBondContact N-O 3.38Å; K704-I800 WeakPolarHBondContact O-CB 3.48Å; K704-I800 PolarHBondContact O-N 3.38Å; V706-I800 HydrophobicContact CB-CD1 4.18Å; V706-I800 HydrophobicContact CG2-CD1 3.97Å; Y761-I800 WeakPolarHBondContact OH-CG2 3.24Å; M797-I800 HydrophobicContact CB-CD1 3.8Å; M797-I800 HydrophobicContact CB-CG1 3.83Å; M797-I800 HydrophobicContact CE-CD1 4.05Å; M797-I800 HydrophobicContact CE-CG1 4.06Å; M797-I800 HydrophobicContact CG-CD1 4.49Å; M797-I800 HydrophobicContact SD-CD1 3.94Å; M797-I800 HydrophobicContact SD-CG1 4.5Å; I800-I802 HydrophobicContact CG2-CB 3.95Å; I800-I802 HydrophobicContact CG2-CD1 4.22Å; I800-I802 HydrophobicContact CG2-CG2 3.87Å; I800-A839 HydrophobicContact CG2-CB 4.3Å; I800-V842 HydrophobicContact CD1-CG1 4.3Å; I800-C843 HydrophobicContact CD1-CB 4.32Å
801E98.8Very high98.1Very high0 Ų018 Ų180%012%0.121CC..  trans-92.998.8179.8-55.8156.662.400109.2M588 R702 Y761 Q770 G773 S774 S799M588-E801 HydrophobicContact CE-CB 4.03Å; M588-E801 HydrophobicContact CE-CG 4.12Å; R702-E801 IonicContact CZ-OE1 2.71Å; R702-E801 IonicContact NH1-OE1 3.87Å; R702-E801 PolarHBondContact NH1-OE1 3.45Å; R702-E801 IonicContact NH1-OE2 3.33Å; R702-E801 PolarHBondContact NH1-OE2 2.93Å; R702-E801 IonicContact NH2-OE1 3.93Å; Y761-E801 WeakPolarHBondContact CE2-O 3.32Å; Y761-E801 PolarHBondContact OH-O 2.97Å; Q770-E801 HydrophobicContact CB-CB 4.02Å; Q770-E801 VanDerWaalsContact CB-OE1 3.32Å; Q770-E801 WeakPolarHBondContact CB-OE1 3.43Å; Q770-E801 HydrophobicContact CG-CB 4.4Å; Q770-E801 WeakPolarHBondContact CG-OE1 3.31Å; Q770-E801 PolarHBondContact NE2-OE1 2.93Å; G773-E801 VanDerWaalsContact CA-OE2 3.27Å; G773-E801 WeakPolarHBondContact CA-OE2 3.2Å; S774-E801 WeakPolarHBondContact OG-CB 3.31Å; S774-E801 PolarHBondContact OG-N 2.99Å; S799-E801 PolarHBondContact O-N 2.68Å
802I98.7Very high98.1Very high2 Ų222.5 Ų22.51%0.0115%0.145CC..  trans-151.6154.7-166.1-151.8168.5000113M655 K704 Y761 Q766 I800 L838 A839 V842M655-I802 WeakPolarHBondContact CA-O 3.47Å; K704-I802 HydrophobicContact CG-CG2 4.13Å; Y761-I802 HydrophobicContact CE1-CD1 3.69Å; Y761-I802 HydrophobicContact CE1-CG1 4.18Å; Q766-I802 HydrophobicContact CG-CG1 4.1Å; I800-I802 HydrophobicContact CG2-CB 3.95Å; I800-I802 HydrophobicContact CG2-CD1 4.22Å; I800-I802 HydrophobicContact CG2-CG2 3.87Å; I802-L838 HydrophobicContact CD1-CD2 3.77Å; I802-L838 HydrophobicContact CD1-CG 3.66Å; I802-L838 HydrophobicContact CG1-CD2 3.91Å; I802-L838 HydrophobicContact CG1-CG 4.31Å; I802-A839 HydrophobicContact CG2-CB 3.92Å; I802-V842 HydrophobicContact CD1-CG2 3.72Å
803G98.4Very high98.1Very high2 Ų223.3 Ų23.32%0.02116%0.157CC..  trans-166.8169174.700000113.7D653 Q766D653-G803 CarbonylContact O-C 3.51Å; D653-G803 WeakPolarHBondContact O-CA 3.29Å; Q766-G803 VanDerWaalsContact CD-O 3.29Å; Q766-G803 PolarHBondContact NE2-O 3.19Å; Q766-G803 PolarHBondContact OE1-O 3.36Å
804T98.6Very high98Very high1 Ų125.5 Ų25.51%0.00617%0.167CC..SBendtrans-119.310.5-173.458.20000112.8D653 L818 V823 G825 N834 L838D653-T804 PolarHBondContact O-N 3.25Å; T804-L818 HydrophobicContact CG2-CD2 4.17Å; T804-V823 WeakPolarHBondContact CB-O 3.37Å; T804-V823 HydrophobicContact CG2-CB 4.31Å; T804-V823 HydrophobicContact CG2-CG2 4.32Å; T804-V823 WeakPolarHBondContact CG2-O 3.48Å; T804-G825 WeakPolarHBondContact CB-O 3.3Å; T804-G825 WeakPolarHBondContact O-CA 3.45Å; T804-G825 PolarHBondContact O-N 3.29Å; T804-G825 VanDerWaalsContact O-N 3.16Å; T804-G825 PolarHBondContact OG1-O 3.5Å; T804-N834 HydrophobicContact CG2-CB 4.11Å; T804-N834 WeakPolarHBondContact OG1-CB 3.33Å; T804-L838 HydrophobicContact CG2-CB 4.32Å; T804-L838 HydrophobicContact CG2-CD2 3.82Å
805V97.4Very high98Very high57 Ų5727 Ų2735%0.34517%0.173SC..BIsolated β-bridgetrans-141.9133.6178.2-177.20000110.8D653 T809 G825 A826D653-V805 HydrophobicContact CB-CG2 4.04Å; V805-T809 VanDerWaalsContact CA-OG1 3.28Å; V805-T809 WeakPolarHBondContact CA-OG1 3.12Å; V805-T809 PolarHBondContact N-OG1 2.79Å; V805-G825 VanDerWaalsContact CG2-C 3.42Å; V805-A826 HydrophobicContact CG2-CB 3.95Å
806G94.8Very high98Very high32 Ų3229.1 Ų29.133%0.3319%0.191SC..SBendtrans85.316417900000114.3T809 N810G806-T809 PolarHBondContact N-OG1 2.98Å; G806-T809 PolarHBondContact O-N 3.37Å; G806-T809 PolarHBondContact O-OG1 3.2Å; G806-N810 PolarHBondContact N-OD1 2.74Å
807G95Very high98Very high45 Ų4527.8 Ų27.846%0.46418%0.184SC..G310 helixtrans60-143.2-172.400000111.8T809 N810G807-T809 PolarHBondContact O-N 2.9Å; G807-N810 WeakPolarHBondContact O-CB 3.22Å; G807-N810 PolarHBondContact O-N 3.12Å
808G96.8Very high98Very high22 Ų2227.8 Ų27.823%0.22718%0.184CC..G310 helixtrans-59.9-18.4-179.900000114.9G765 N810 L811 Q814G765-G808 CarbonylContact O-C 3.56Å; G765-G808 VanDerWaalsContact O-CA 3.23Å; G765-G808 WeakPolarHBondContact O-CA 3.41Å; G765-G808 PolarHBondContact O-N 3.05Å; G808-N810 PolarHBondContact O-N 3.47Å; G808-N810 VanDerWaalsContact O-N 3.16Å; G808-L811 WeakPolarHBondContact O-CB 3.37Å; G808-L811 PolarHBondContact O-N 2.9Å; G808-Q814 WeakPolarHBondContact O-CB 3.33Å
809T98.1Very high98Very high4 Ų432.6 Ų32.63%0.02521%0.205CC..G310 helixtrans-67.2-9.1173.973.90000113.7G765 V805 G806 G807 L811 Q815 L818G765-T809 PolarHBondContact O-N 3.32Å; V805-T809 VanDerWaalsContact CA-OG1 3.28Å; V805-T809 WeakPolarHBondContact CA-OG1 3.12Å; V805-T809 PolarHBondContact N-OG1 2.79Å; G806-T809 PolarHBondContact N-OG1 2.98Å; G806-T809 PolarHBondContact O-N 3.37Å; G806-T809 PolarHBondContact O-OG1 3.2Å; G807-T809 PolarHBondContact O-N 2.9Å; T809-L811 VanDerWaalsContact C-N 3.31Å; T809-Q815 WeakPolarHBondContact O-CG 3.36Å; T809-Q815 PolarHBondContact O-NE2 3.37Å; T809-L818 HydrophobicContact CG2-CD1 3.96Å
810N97.4Very high98Very high71 Ų7137 Ų3738%0.3823%0.226SC..G310 helixtrans-77.4-15170.3-68.9-8.5000113G806 G807 G808 Q815G806-N810 PolarHBondContact N-OD1 2.74Å; G807-N810 WeakPolarHBondContact O-CB 3.22Å; G807-N810 PolarHBondContact O-N 3.12Å; G808-N810 PolarHBondContact O-N 3.47Å; G808-N810 VanDerWaalsContact O-N 3.16Å; N810-Q815 PolarHBondContact O-NE2 3.07Å
811L97.8Very high98Very high19 Ų1937.3 Ų37.310%0.09923%0.228CC..SBendtrans-87.7134-175.5-55.2179000111.3L521 V522 G808 T809 Q814 Q815L521-L811 HydrophobicContact CB-CD2 3.81Å; L521-L811 WeakPolarHBondContact O-CD2 3.26Å; V522-L811 HydrophobicContact CG2-CD1 4.47Å; V522-L811 HydrophobicContact CG2-CD2 3.73Å; G808-L811 WeakPolarHBondContact O-CB 3.37Å; G808-L811 PolarHBondContact O-N 2.9Å; T809-L811 VanDerWaalsContact C-N 3.31Å; L811-Q814 PolarHBondContact O-N 2.7Å; L811-Q815 WeakPolarHBondContact O-CG 3.47Å; L811-Q815 PolarHBondContact O-N 2.85Å
812L98.3Very high98Very high96 Ų9640.3 Ų40.350%0.50326%0.259SS..Hα-helixtrans-57.7-41.5-171.9-56.5176.4000115L521 Q814 Q815 A816L521-L812 HydrophobicContact CD1-CD1 4.27Å; L521-L812 HydrophobicContact CD1-CD2 4.23Å; L521-L812 HydrophobicContact CD1-CG 3.8Å; L812-Q814 VanDerWaalsContact C-N 3.33Å; L812-Q814 PolarHBondContact O-N 3.48Å; L812-Q815 WeakPolarHBondContact O-CB 3.14Å; L812-Q815 PolarHBondContact O-N 3.11Å; L812-A816 PolarHBondContact O-N 3.38Å
813P98.4Very high98Very high74 Ų7440.3 Ų40.348%0.48126%0.259SS..Hα-helixtrans-64-39.1178.1-2133.7000112.5Q815 A816 C817P813-Q815 VanDerWaalsContact C-N 3.34Å; P813-A816 WeakPolarHBondContact O-CB 3.49Å; P813-A816 PolarHBondContact O-N 3.14Å; P813-C817 PolarHBondContact O-N 3.18Å
814Q98.5Very high98Very high45 Ų4543.3 Ų43.321%0.2127%0.273CS..Hα-helixtrans-70-32.2176.4-73.66626.700111.7A763 G808 L811 L812 C817 L818A763-Q814 WeakPolarHBondContact O-CA 3.46Å; G808-Q814 WeakPolarHBondContact O-CB 3.33Å; L811-Q814 PolarHBondContact O-N 2.7Å; L812-Q814 VanDerWaalsContact C-N 3.33Å; L812-Q814 PolarHBondContact O-N 3.48Å; Q814-C817 PolarHBondContact O-N 3.39Å; Q814-L818 WeakPolarHBondContact O-CG 3.32Å; Q814-L818 PolarHBondContact O-N 2.85Å; Q814-L818 VanDerWaalsContact O-N 3.12Å
815Q98.6Very high97.9Very high37 Ų3744 Ų4417%0.17328%0.279CS..Hα-helixtrans-66.2-38171.7-71.9178.13.100112.4T809 N810 L811 L812 P813 C817 L818 Q819 Q824T809-Q815 WeakPolarHBondContact O-CG 3.36Å; T809-Q815 PolarHBondContact O-NE2 3.37Å; N810-Q815 PolarHBondContact O-NE2 3.07Å; L811-Q815 WeakPolarHBondContact O-CG 3.47Å; L811-Q815 PolarHBondContact O-N 2.85Å; L812-Q815 WeakPolarHBondContact O-CB 3.14Å; L812-Q815 PolarHBondContact O-N 3.11Å; P813-Q815 VanDerWaalsContact C-N 3.34Å; Q815-C817 VanDerWaalsContact C-N 3.34Å; Q815-C817 PolarHBondContact O-N 3.38Å; Q815-L818 CarbonylContact O-C 3.32Å; Q815-L818 PolarHBondContact O-N 2.91Å; Q815-L818 VanDerWaalsContact O-N 3.17Å; Q815-Q819 WeakPolarHBondContact O-CB 3.5Å; Q815-Q819 VanDerWaalsContact O-CG 3.27Å; Q815-Q819 WeakPolarHBondContact O-CG 3.42Å; Q815-Q819 PolarHBondContact O-N 3.23Å; Q815-Q824 HydrophobicContact CB-CG 3.92Å; Q815-Q824 HydrophobicContact CG-CG 4Å
816A98.8Very high97.9Very high46 Ų4643.8 Ų43.838%0.3828%0.284SS..Hα-helixtrans-60.3-43174.400000111.7L812 P813 L818 Q819 M820L812-A816 PolarHBondContact O-N 3.38Å; P813-A816 WeakPolarHBondContact O-CB 3.49Å; P813-A816 PolarHBondContact O-N 3.14Å; A816-L818 PolarHBondContact O-N 3.23Å; A816-Q819 WeakPolarHBondContact O-CB 3.27Å; A816-Q819 PolarHBondContact O-N 2.94Å; A816-Q819 VanDerWaalsContact O-N 3.14Å; A816-M820 WeakPolarHBondContact O-CG 3.31Å; A816-M820 PolarHBondContact O-N 3.33Å
817C98.8Very high98Very high14 Ų1443.4 Ų43.410%0.09528%0.276CS..Hα-helixtrans-60.7-40.7173-65.10000112.8P554 A763 P813 Q814 Q815 Q819P554-C817 HydrophobicContact CB-CB 4.14Å; P554-C817 HydrophobicContact CG-CB 3.77Å; A763-C817 HydrophobicContact CB-CB 4.4Å; A763-C817 WeakPolarHBondContact O-CB 3.43Å; A763-C817 PolarHBondContact O-SG 3.48Å; P813-C817 PolarHBondContact O-N 3.18Å; Q814-C817 PolarHBondContact O-N 3.39Å; Q815-C817 VanDerWaalsContact C-N 3.34Å; Q815-C817 PolarHBondContact O-N 3.38Å; C817-Q819 VanDerWaalsContact C-N 3.33Å
818L98.8Very high98Very high0 Ų050.2 Ų50.20%029%0.293CS..Hα-helixtrans-69-28.9174.5-71169.3000113C764 T804 T809 Q814 Q815 A816 L821 G822 V823 Q824 L838C764-L818 HydrophobicContact CB-CD2 3.78Å; C764-L818 HydrophobicContact CB-CG 4.15Å; T804-L818 HydrophobicContact CG2-CD2 4.17Å; T809-L818 HydrophobicContact CG2-CD1 3.96Å; Q814-L818 WeakPolarHBondContact O-CG 3.32Å; Q814-L818 PolarHBondContact O-N 2.85Å; Q814-L818 VanDerWaalsContact O-N 3.12Å; Q815-L818 CarbonylContact O-C 3.32Å; Q815-L818 PolarHBondContact O-N 2.91Å; Q815-L818 VanDerWaalsContact O-N 3.17Å; A816-L818 PolarHBondContact O-N 3.23Å; L818-L821 PolarHBondContact O-N 3.32Å; L818-G822 PolarHBondContact O-N 2.78Å; L818-V823 HydrophobicContact CD2-CG2 4.11Å; L818-V823 PolarHBondContact O-N 3.47Å; L818-Q824 HydrophobicContact CB-CB 3.71Å; L818-Q824 HydrophobicContact CB-CG 4.01Å; L818-Q824 PolarHBondContact O-N 3.22Å; L818-L838 HydrophobicContact CD2-CD2 3.72Å
819Q98.8Very high98Very high117 Ų11756.7 Ų56.755%0.54732%0.322SS..Hα-helixtrans-73.3-37.4176-75.1167.9-600112Q815 A816 C817 L821 G822 Q824Q815-Q819 WeakPolarHBondContact O-CB 3.5Å; Q815-Q819 VanDerWaalsContact O-CG 3.27Å; Q815-Q819 WeakPolarHBondContact O-CG 3.42Å; Q815-Q819 PolarHBondContact O-N 3.23Å; A816-Q819 WeakPolarHBondContact O-CB 3.27Å; A816-Q819 PolarHBondContact O-N 2.94Å; A816-Q819 VanDerWaalsContact O-N 3.14Å; C817-Q819 VanDerWaalsContact C-N 3.33Å; Q819-L821 PolarHBondContact O-N 3.41Å; Q819-L821 VanDerWaalsContact O-N 3.15Å; Q819-G822 PolarHBondContact O-N 3.43Å; Q819-Q824 HydrophobicContact CG-CB 3.68Å; Q819-Q824 HydrophobicContact CG-CG 4.05Å
820M98.6Very high97.9Very high93 Ų9360.3 Ų60.346%0.45834%0.341SS..Hα-helixtrans-54.9-30.4171.2-69170.759.500112.9V540 P554 A816V540-M820 HydrophobicContact CG2-CE 4.14Å; P554-M820 HydrophobicContact CB-CE 4.04Å; P554-M820 HydrophobicContact CB-SD 4.12Å; P554-M820 HydrophobicContact CG-CE 4.45Å; P554-M820 HydrophobicContact CG-SD 4.41Å; A816-M820 WeakPolarHBondContact O-CG 3.31Å; A816-M820 PolarHBondContact O-N 3.33Å
821L98.6Very high97.9Very high6 Ų659.8 Ų59.83%0.03134%0.342CS..THydrogen-bonded Turntrans-93.8-4.1178.7-66.4-177.9000113.8F551 V553 L818 Q819 V823 L838 I841F551-L821 HydrophobicContact CB-CD2 4.07Å; F551-L821 HydrophobicContact CD1-CD2 4.31Å; V553-L821 HydrophobicContact CG2-CD2 4.35Å; L818-L821 PolarHBondContact O-N 3.32Å; Q819-L821 PolarHBondContact O-N 3.41Å; Q819-L821 VanDerWaalsContact O-N 3.15Å; L821-V823 VanDerWaalsContact C-N 3.33Å; L821-V823 HydrophobicContact CB-CG2 3.8Å; L821-V823 PolarHBondContact O-N 3.27Å; L821-L838 HydrophobicContact CD1-CD1 3.57Å; L821-I841 HydrophobicContact CB-CD1 4.18Å; L821-I841 HydrophobicContact CD1-CD1 4.43Å; L821-I841 HydrophobicContact CD1-CG2 4.15Å; L821-I841 HydrophobicContact CD2-CD1 4.28Å; L821-I841 HydrophobicContact CD2-CG2 4.05Å
822G98.3Very high97.8Very high63 Ų6358.9 Ų58.965%0.64934%0.337SS*.THydrogen-bonded Turntrans69.822.3-178.700000115.1L818 Q819L818-G822 PolarHBondContact O-N 2.78Å; Q819-G822 PolarHBondContact O-N 3.43Å
823V98.7Very high97.8Very high2 Ų256.7 Ų56.71%0.01232%0.324CS..  trans-126.314.9-171.4-63.40000114.2T804 L818 L821 N834 Q837 L838T804-V823 WeakPolarHBondContact CB-O 3.37Å; T804-V823 HydrophobicContact CG2-CB 4.31Å; T804-V823 HydrophobicContact CG2-CG2 4.32Å; T804-V823 WeakPolarHBondContact CG2-O 3.48Å; L818-V823 HydrophobicContact CD2-CG2 4.11Å; L818-V823 PolarHBondContact O-N 3.47Å; L821-V823 VanDerWaalsContact C-N 3.33Å; L821-V823 HydrophobicContact CB-CG2 3.8Å; L821-V823 PolarHBondContact O-N 3.27Å; V823-N834 HydrophobicContact CB-CB 4.1Å; V823-N834 WeakPolarHBondContact O-CB 3.29Å; V823-N834 PolarHBondContact O-ND2 3.12Å; V823-Q837 HydrophobicContact CG1-CB 3.79Å; V823-Q837 HydrophobicContact CG1-CG 3.62Å; V823-L838 HydrophobicContact CG2-CB 4.12Å; V823-L838 HydrophobicContact CG2-CD1 4.12Å; V823-L838 HydrophobicContact CG2-CG 4.49Å
824Q98.6Very high97.8Very high66 Ų6654.5 Ų54.531%0.30831%0.308SS..  trans-67.3139.5179.3-168.8-86.9-31.700112.2Q815 L818 Q819 N834Q815-Q824 HydrophobicContact CB-CG 3.92Å; Q815-Q824 HydrophobicContact CG-CG 4Å; L818-Q824 HydrophobicContact CB-CB 3.71Å; L818-Q824 HydrophobicContact CB-CG 4.01Å; L818-Q824 PolarHBondContact O-N 3.22Å; Q819-Q824 HydrophobicContact CG-CB 3.68Å; Q819-Q824 HydrophobicContact CG-CG 4.05Å; Q824-N834 PolarHBondContact O-ND2 2.98Å
825G97.6Very high97.8Very high14 Ų1452.3 Ų52.314%0.14430%0.298CS..SBendtrans75.3-167.1175.800000114.2T804 V805 N834T804-G825 WeakPolarHBondContact CB-O 3.3Å; T804-G825 WeakPolarHBondContact O-CA 3.45Å; T804-G825 PolarHBondContact O-N 3.29Å; T804-G825 VanDerWaalsContact O-N 3.16Å; T804-G825 PolarHBondContact OG1-O 3.5Å; V805-G825 VanDerWaalsContact CG2-C 3.42Å; G825-N834 PolarHBondContact O-ND2 3.37Å
826A97.1Very high97.8Very high54 Ų5452.2 Ų52.245%0.44630%0.296SS..  trans-86.4137.8177.900000111.5D653 V805 K828D653-A826 HydrophobicContact CB-CB 4.39Å; D653-A826 WeakPolarHBondContact OD2-CA 3.44Å; V805-A826 HydrophobicContact CG2-CB 3.95Å; A826-K828 PolarHBondContact O-N 3.1Å
827C97Very high97.8Very high24 Ų2450.6 Ų50.616%0.16228%0.281CS..  trans-73.9116.5166.9-173.40000108.6D653 N830 P831 E833D653-C827 PolarHBondContact OD2-N 2.8Å; C827-N830 WeakPolarHBondContact CB-O 3.37Å; C827-N830 PolarHBondContact SG-N 2.93Å; C827-N830 VanDerWaalsContact SG-N 3.43Å; C827-N830 PolarHBondContact SG-O 3.46Å; C827-P831 WeakPolarHBondContact O-CA 3.13Å; C827-E833 HydrophobicContact CB-CB 4.26Å
828K94Very high97.8Very high188 Ų18849.9 Ų49.982%0.81728%0.276SS*.SBendtrans-71-40.9-178.4-68.1-178.7-178.2174.60111.8A826A826-K828 PolarHBondContact O-N 3.1Å
829D96.6Very high97.9Very high158 Ų15849.9 Ų49.985%0.84528%0.276SS*.SBendtrans-83.5-29.8-171.4-42.3-68.2000112.3
830N96.3Very high97.9Very high80 Ų8045.9 Ų45.943%0.42826%0.256SS..SBendtrans-141.382177-177.61.1000111.5C827 G832 E833 R836C827-N830 WeakPolarHBondContact CB-O 3.37Å; C827-N830 PolarHBondContact SG-N 2.93Å; C827-N830 VanDerWaalsContact SG-N 3.43Å; C827-N830 PolarHBondContact SG-O 3.46Å; N830-G832 PolarHBondContact O-N 3.02Å; N830-E833 HydrophobicContact CB-CB 4.24Å; N830-E833 WeakPolarHBondContact O-CB 3.39Å; N830-E833 PolarHBondContact O-N 3.28Å; N830-R836 VanDerWaalsContact CG-NH2 3.34Å; N830-R836 PolarHBondContact ND2-NH2 3.46Å; N830-R836 PolarHBondContact OD1-NH2 3.3Å
831P97.1Very high97.9Very high60 Ų6041.4 Ų41.439%0.3923%0.234SC..THydrogen-bonded Turntrans-51.7129.1-176.8-30.536.8000114.4F628 C827 R836F628-P831 HydrophobicContact CD1-CB 4.3Å; F628-P831 HydrophobicContact CE1-CB 4.02Å; F628-P831 HydrophobicContact CE1-CG 4.23Å; C827-P831 WeakPolarHBondContact O-CA 3.13Å; P831-R836 PolarHBondContact O-NH1 2.93Å; P831-R836 VanDerWaalsContact O-NH1 3.16Å
832G96.4Very high97.9Very high0 Ų041.1 Ų41.10%023%0.233CC..THydrogen-bonded Turntrans92-6.5-174.700000114.9G652 D653 N830 A835 R836G652-G832 WeakPolarHBondContact O-CA 3.33Å; D653-G832 VanDerWaalsContact CG-CA 3.41Å; D653-G832 WeakPolarHBondContact OD1-CA 3.23Å; D653-G832 PolarHBondContact OD1-N 3.19Å; D653-G832 PolarHBondContact OD2-N 2.95Å; N830-G832 PolarHBondContact O-N 3.02Å; G832-A835 PolarHBondContact O-N 2.83Å; G832-R836 VanDerWaalsContact C-NH1 3.32Å; G832-R836 WeakPolarHBondContact O-CB 3.43Å; G832-R836 VanDerWaalsContact O-CG 3.29Å; G832-R836 WeakPolarHBondContact O-CG 3.48Å; G832-R836 PolarHBondContact O-N 3.48Å; G832-R836 PolarHBondContact O-NH1 3.15Å
833E98.4Very high97.9Very high50 Ų5038.1 Ų38.123%0.23420%0.202CC..Hα-helixtrans-69.6-31.7-178.7-166.951.8-13700113.2D653 C827 N830 R836 Q837 R840D653-E833 PolarHBondContact OD1-N 3.41Å; C827-E833 HydrophobicContact CB-CB 4.26Å; N830-E833 HydrophobicContact CB-CB 4.24Å; N830-E833 WeakPolarHBondContact O-CB 3.39Å; N830-E833 PolarHBondContact O-N 3.28Å; E833-R836 PolarHBondContact O-N 2.89Å; E833-R836 IonicContact OE2-CZ 3.34Å; E833-R836 IonicContact OE2-NE 2.75Å; E833-R836 PolarHBondContact OE2-NE 2.94Å; E833-R836 IonicContact OE2-NH2 3.2Å; E833-R836 PolarHBondContact OE2-NH2 3.27Å; E833-Q837 VanDerWaalsContact O-CB 3.26Å; E833-Q837 WeakPolarHBondContact O-CB 3.44Å; E833-Q837 PolarHBondContact O-N 3.3Å; E833-R840 IonicContact OE1-CZ 2.79Å; E833-R840 IonicContact OE1-NH2 3.87Å; E833-R840 PolarHBondContact OE1-NH2 3.35Å
834N98.7Very high97.9Very high27 Ų2738 Ų3814%0.14420%0.201CC..Hα-helixtrans-66.2-44175.9-73.36.7000109.9D653 T804 V823 Q824 G825 R836 Q837 L838D653-N834 WeakPolarHBondContact OD1-CB 3.44Å; D653-N834 PolarHBondContact OD1-N 3.39Å; T804-N834 HydrophobicContact CG2-CB 4.11Å; T804-N834 WeakPolarHBondContact OG1-CB 3.33Å; V823-N834 HydrophobicContact CB-CB 4.1Å; V823-N834 WeakPolarHBondContact O-CB 3.29Å; V823-N834 PolarHBondContact O-ND2 3.12Å; Q824-N834 PolarHBondContact O-ND2 2.98Å; G825-N834 PolarHBondContact O-ND2 3.37Å; N834-R836 PolarHBondContact O-N 2.71Å; N834-Q837 PolarHBondContact O-N 2.98Å; N834-L838 WeakPolarHBondContact O-CB 3.29Å; N834-L838 PolarHBondContact O-N 3.45Å
835A98.8Very high97.9Very high0 Ų034.9 Ų34.90%019%0.186CC..Hα-helixtrans-65.4-35.2174.300000113.2D653 G832 A839D653-A835 PolarHBondContact OD1-N 2.97Å; D653-A835 VanDerWaalsContact OD1-N 3.14Å; G832-A835 PolarHBondContact O-N 2.83Å; A835-A839 WeakPolarHBondContact O-CB 3.44Å; A835-A839 PolarHBondContact O-N 3.25Å; A835-A839 VanDerWaalsContact O-N 3.07Å
836R98.8Very high98Very high34 Ų3434.2 Ų34.213%0.12818%0.18CC..Hα-helixtrans-70.9-40.2174.7-73.8-176.6-57.2-98.56.1112.3V583 D586 K704 N830 P831 G832 E833 N834 A839 R840V583-R836 HydrophobicContact CG1-CG 4.42Å; V583-R836 HydrophobicContact CG2-CB 4.14Å; V583-R836 HydrophobicContact CG2-CG 4.38Å; D586-R836 IonicContact OD2-NH1 2.82Å; K704-R836 HydrophobicContact CD-CG 4.06Å; N830-R836 VanDerWaalsContact CG-NH2 3.34Å; N830-R836 PolarHBondContact ND2-NH2 3.46Å; N830-R836 PolarHBondContact OD1-NH2 3.3Å; P831-R836 PolarHBondContact O-NH1 2.93Å; P831-R836 VanDerWaalsContact O-NH1 3.16Å; G832-R836 VanDerWaalsContact C-NH1 3.32Å; G832-R836 WeakPolarHBondContact O-CB 3.43Å; G832-R836 VanDerWaalsContact O-CG 3.29Å; G832-R836 WeakPolarHBondContact O-CG 3.48Å; G832-R836 PolarHBondContact O-N 3.48Å; G832-R836 PolarHBondContact O-NH1 3.15Å; E833-R836 PolarHBondContact O-N 2.89Å; E833-R836 IonicContact OE2-CZ 3.34Å; E833-R836 IonicContact OE2-NE 2.75Å; E833-R836 PolarHBondContact OE2-NE 2.94Å; E833-R836 IonicContact OE2-NH2 3.2Å; E833-R836 PolarHBondContact OE2-NH2 3.27Å; N834-R836 PolarHBondContact O-N 2.71Å; R836-A839 PolarHBondContact O-N 3.03Å; R836-R840 WeakPolarHBondContact O-CG 3.43Å; R836-R840 PolarHBondContact O-N 3.4Å; R836-R840 VanDerWaalsContact O-N 3.11Å
837Q98.9Very high98.1Very high12 Ų1231.7 Ų31.76%0.05616%0.158CC..Hα-helixtrans-67.2-38.6176-178.163.495.300111.3F551 V823 E833 N834 R840 I841F551-Q837 HydrophobicContact CZ-CG 4.49Å; V823-Q837 HydrophobicContact CG1-CB 3.79Å; V823-Q837 HydrophobicContact CG1-CG 3.62Å; E833-Q837 VanDerWaalsContact O-CB 3.26Å; E833-Q837 WeakPolarHBondContact O-CB 3.44Å; E833-Q837 PolarHBondContact O-N 3.3Å; N834-Q837 PolarHBondContact O-N 2.98Å; Q837-R840 PolarHBondContact O-N 2.96Å; Q837-I841 HydrophobicContact CG-CD1 4.17Å; Q837-I841 WeakPolarHBondContact O-CD1 3.43Å; Q837-I841 VanDerWaalsContact O-CG1 3.26Å; Q837-I841 WeakPolarHBondContact O-CG1 3.37Å; Q837-I841 PolarHBondContact O-N 3.41Å
838L98.9Very high98.2Very high0 Ų030.5 Ų30.50%015%0.151CC..Hα-helixtrans-65.7-42.2173.7-173.759.5000112.4I802 T804 L818 L821 V823 N834 R840 I841 V842I802-L838 HydrophobicContact CD1-CD2 3.77Å; I802-L838 HydrophobicContact CD1-CG 3.66Å; I802-L838 HydrophobicContact CG1-CD2 3.91Å; I802-L838 HydrophobicContact CG1-CG 4.31Å; T804-L838 HydrophobicContact CG2-CB 4.32Å; T804-L838 HydrophobicContact CG2-CD2 3.82Å; L818-L838 HydrophobicContact CD2-CD2 3.72Å; L821-L838 HydrophobicContact CD1-CD1 3.57Å; V823-L838 HydrophobicContact CG2-CB 4.12Å; V823-L838 HydrophobicContact CG2-CD1 4.12Å; V823-L838 HydrophobicContact CG2-CG 4.49Å; N834-L838 WeakPolarHBondContact O-CB 3.29Å; N834-L838 PolarHBondContact O-N 3.45Å; L838-R840 VanDerWaalsContact C-N 3.29Å; L838-R840 PolarHBondContact O-N 3.04Å; L838-I841 PolarHBondContact O-N 2.98Å; L838-V842 WeakPolarHBondContact O-CG2 3.44Å; L838-V842 PolarHBondContact O-N 2.82Å
839A98.9Very high98.4Very high0 Ų021.6 Ų21.60%011%0.112CC..Hα-helixtrans-61.1-37.9175.400000112.5K704 V706 I800 I802 A835 R836 V842 C843K704-A839 HydrophobicContact CB-CB 3.77Å; K704-A839 HydrophobicContact CG-CB 3.87Å; V706-A839 HydrophobicContact CG2-CB 3.9Å; I800-A839 HydrophobicContact CG2-CB 4.3Å; I802-A839 HydrophobicContact CG2-CB 3.92Å; A835-A839 WeakPolarHBondContact O-CB 3.44Å; A835-A839 PolarHBondContact O-N 3.25Å; A835-A839 VanDerWaalsContact O-N 3.07Å; R836-A839 PolarHBondContact O-N 3.03Å; A839-V842 PolarHBondContact O-N 3.25Å; A839-C843 PolarHBondContact O-N 2.64Å; A839-C843 VanDerWaalsContact O-N 3.07Å
840R98.9Very high98.5Very high32 Ų3214 Ų1412%0.1217%0.071CC..Hα-helixtrans-62.9-46.1172-75.7-173.5-72.9133.2-5.9112.2L546 D547 S581 V583 V706 E833 R836 Q837 L838 V842 C843 G844L546-R840 HydrophobicContact CD2-CB 4.48Å; L546-R840 WeakPolarHBondContact CD2-O 3.25Å; D547-R840 IonicContact OD2-CZ 3.92Å; D547-R840 IonicContact OD2-NH1 2.81Å; D547-R840 PolarHBondContact OD2-NH1 2.94Å; S581-R840 VanDerWaalsContact OG-CB 3.3Å; S581-R840 WeakPolarHBondContact OG-CB 3.39Å; S581-R840 VanDerWaalsContact OG-CD 3.29Å; S581-R840 WeakPolarHBondContact OG-CD 3.38Å; S581-R840 VanDerWaalsContact OG-CG 3.24Å; S581-R840 WeakPolarHBondContact OG-CG 3.33Å; V583-R840 HydrophobicContact CG2-CG 3.76Å; V706-R840 HydrophobicContact CG1-CG 4.26Å; E833-R840 IonicContact OE1-CZ 2.79Å; E833-R840 IonicContact OE1-NH2 3.87Å; E833-R840 PolarHBondContact OE1-NH2 3.35Å; R836-R840 WeakPolarHBondContact O-CG 3.43Å; R836-R840 PolarHBondContact O-N 3.4Å; R836-R840 VanDerWaalsContact O-N 3.11Å; Q837-R840 PolarHBondContact O-N 2.96Å; L838-R840 VanDerWaalsContact C-N 3.29Å; L838-R840 PolarHBondContact O-N 3.04Å; R840-V842 PolarHBondContact O-N 3.35Å; R840-C843 PolarHBondContact O-N 3.27Å; R840-G844 PolarHBondContact O-N 3.45Å
841I98.9Very high98.6Very high0 Ų010.2 Ų10.20%05%0.051CC..Hα-helixtrans-60.4-44176.2-66.7157.5000111.2L546 F551 V553 L821 Q837 L838 C843 G844 T845L546-I841 HydrophobicContact CD2-CG1 4.38Å; F551-I841 HydrophobicContact CD1-CD1 3.58Å; F551-I841 HydrophobicContact CD1-CG1 3.97Å; F551-I841 HydrophobicContact CD2-CG1 4.05Å; F551-I841 HydrophobicContact CE1-CD1 3.53Å; F551-I841 HydrophobicContact CE1-CG1 4.01Å; F551-I841 HydrophobicContact CE2-CD1 4.5Å; F551-I841 HydrophobicContact CE2-CG1 4.08Å; F551-I841 HydrophobicContact CG-CD1 4.11Å; F551-I841 HydrophobicContact CG-CG1 3.98Å; F551-I841 HydrophobicContact CZ-CD1 4.01Å; F551-I841 HydrophobicContact CZ-CG1 4.05Å; V553-I841 HydrophobicContact CG1-CG2 4.45Å; V553-I841 HydrophobicContact CG2-CG2 4.08Å; L821-I841 HydrophobicContact CB-CD1 4.18Å; L821-I841 HydrophobicContact CD1-CD1 4.43Å; L821-I841 HydrophobicContact CD1-CG2 4.15Å; L821-I841 HydrophobicContact CD2-CD1 4.28Å; L821-I841 HydrophobicContact CD2-CG2 4.05Å; Q837-I841 HydrophobicContact CG-CD1 4.17Å; Q837-I841 WeakPolarHBondContact O-CD1 3.43Å; Q837-I841 VanDerWaalsContact O-CG1 3.26Å; Q837-I841 WeakPolarHBondContact O-CG1 3.37Å; Q837-I841 PolarHBondContact O-N 3.41Å; L838-I841 PolarHBondContact O-N 2.98Å; I841-C843 PolarHBondContact O-N 3.35Å; I841-G844 PolarHBondContact O-N 2.9Å; I841-T845 WeakPolarHBondContact O-CB 3.4Å; I841-T845 PolarHBondContact O-N 3.32Å; I841-T845 PolarHBondContact O-OG1 3.27Å
842V98.9Very high98.7Very high0 Ų07.4 Ų7.40%03%0.033CC..Hα-helixtrans-58.4-49.1175.2169.20000111V757 I760 Y761 I800 I802 L838 A839 R840 T845 V846V757-V842 HydrophobicContact CG2-CG1 3.94Å; I760-V842 HydrophobicContact CB-CG2 4.47Å; I760-V842 HydrophobicContact CD1-CG2 4.12Å; I760-V842 HydrophobicContact CG2-CG2 3.94Å; Y761-V842 HydrophobicContact CE1-CG2 4.46Å; I800-V842 HydrophobicContact CD1-CG1 4.3Å; I802-V842 HydrophobicContact CD1-CG2 3.72Å; L838-V842 WeakPolarHBondContact O-CG2 3.44Å; L838-V842 PolarHBondContact O-N 2.82Å; A839-V842 PolarHBondContact O-N 3.25Å; R840-V842 PolarHBondContact O-N 3.35Å; V842-T845 PolarHBondContact O-N 2.9Å; V842-V846 HydrophobicContact CG1-CG2 4.49Å; V842-V846 WeakPolarHBondContact O-CG2 3.24Å; V842-V846 PolarHBondContact O-N 2.95Å
843C98.9Very high98.8Very high0 Ų08.7 Ų8.70%04%0.04CC..Hα-helixtrans-64.6-41.9-179.1-165.50000112.8V706 C708 M797 I800 A839 R840 I841 V846 M847V706-C843 HydrophobicContact CB-CB 4.11Å; V706-C843 HydrophobicContact CG1-CB 3.59Å; C708-C843 HydrophobicContact CB-CB 4.25Å; M797-C843 HydrophobicContact SD-CB 4.05Å; I800-C843 HydrophobicContact CD1-CB 4.32Å; A839-C843 PolarHBondContact O-N 2.64Å; A839-C843 VanDerWaalsContact O-N 3.07Å; R840-C843 PolarHBondContact O-N 3.27Å; I841-C843 PolarHBondContact O-N 3.35Å; C843-V846 PolarHBondContact O-N 3.01Å; C843-M847 PolarHBondContact O-N 3.46Å
844G98.9Very high98.8Very high0 Ų06.3 Ų6.30%03%0.028CC..Hα-helixtrans-65.4-35.5173.400000113.8C708 R840 I841 M847 A848C708-G844 VanDerWaalsContact SG-CA 3.59Å; R840-G844 PolarHBondContact O-N 3.45Å; I841-G844 PolarHBondContact O-N 2.9Å; G844-M847 PolarHBondContact O-N 3.38Å; G844-A848 PolarHBondContact O-N 3.21Å
845T98.9Very high98.7Very high0 Ų05 Ų50%02%0.022CC..Hα-helixtrans-72.5-35.4175.4-45.10000111.3L544 V553 T566 I756 I760 I841 V842 A848 G849L544-T845 WeakPolarHBondContact CD2-OG1 3.5Å; V553-T845 HydrophobicContact CB-CG2 4.48Å; V553-T845 HydrophobicContact CG1-CG2 4.09Å; T566-T845 HydrophobicContact CG2-CG2 3.46Å; T566-T845 VanDerWaalsContact CG2-CG2 3.46Å; I756-T845 HydrophobicContact CG2-CG2 3.65Å; I760-T845 HydrophobicContact CD1-CG2 3.97Å; I841-T845 WeakPolarHBondContact O-CB 3.4Å; I841-T845 PolarHBondContact O-N 3.32Å; I841-T845 PolarHBondContact O-OG1 3.27Å; V842-T845 PolarHBondContact O-N 2.9Å; T845-A848 WeakPolarHBondContact O-CB 3.46Å; T845-A848 PolarHBondContact O-N 2.91Å; T845-G849 PolarHBondContact O-N 3.14Å
846V98.9Very high98.6Very high0 Ų05.5 Ų5.50%03%0.025CC..Hα-helixtrans-58.6-50.1171163.70000109.5A753 I756 V757 M797 V842 C843 A848 G849 E850A753-V846 HydrophobicContact CB-CG1 3.65Å; A753-V846 HydrophobicContact CB-CG2 4.27Å; I756-V846 HydrophobicContact CB-CG2 3.89Å; I756-V846 HydrophobicContact CG2-CG2 3.94Å; V757-V846 HydrophobicContact CG2-CG2 4.04Å; M797-V846 HydrophobicContact CE-CG2 4Å; M797-V846 HydrophobicContact SD-CB 3.99Å; M797-V846 HydrophobicContact SD-CG1 4.02Å; M797-V846 HydrophobicContact SD-CG2 3.87Å; V842-V846 HydrophobicContact CG1-CG2 4.49Å; V842-V846 WeakPolarHBondContact O-CG2 3.24Å; V842-V846 PolarHBondContact O-N 2.95Å; C843-V846 PolarHBondContact O-N 3.01Å; V846-A848 VanDerWaalsContact C-N 3.3Å; V846-A848 PolarHBondContact O-N 3.23Å; V846-G849 CarbonylContact O-C 3.54Å; V846-G849 WeakPolarHBondContact O-CA 3.38Å; V846-G849 PolarHBondContact O-N 3.47Å; V846-E850 HydrophobicContact CG1-CG 4.14Å; V846-E850 VanDerWaalsContact O-CG 3.31Å; V846-E850 WeakPolarHBondContact O-CG 3.36Å; V846-E850 PolarHBondContact O-N 3.48Å
847M98.9Very high98.3Very high0 Ų06.7 Ų6.70%03%0.034CC..Hα-helixtrans-59.4-37.8177.7-166.9176.566.400113.1I573 A579 C708 A710 I793 C795 C843 G844 E850 L851I573-M847 HydrophobicContact CD1-CE 3.92Å; A579-M847 HydrophobicContact CB-CE 3.54Å; C708-M847 HydrophobicContact CB-SD 4.45Å; A710-M847 HydrophobicContact CB-CE 3.61Å; A710-M847 HydrophobicContact CB-SD 4.44Å; I793-M847 HydrophobicContact CD1-CG 3.76Å; I793-M847 HydrophobicContact CG1-CG 4.02Å; I793-M847 HydrophobicContact CG1-SD 4.39Å; I793-M847 HydrophobicContact CG2-CG 4.1Å; I793-M847 HydrophobicContact CG2-SD 3.91Å; C795-M847 HydrophobicContact CB-CB 4.21Å; C795-M847 HydrophobicContact CB-CG 4.49Å; C843-M847 PolarHBondContact O-N 3.46Å; G844-M847 PolarHBondContact O-N 3.38Å; M847-E850 PolarHBondContact O-N 3.11Å; M847-L851 WeakPolarHBondContact O-CG 3.47Å; M847-L851 PolarHBondContact O-N 2.97Å
848A98.9Very high98.1Very high0 Ų07.6 Ų7.60%04%0.043CC..Hα-helixtrans-61.2-47.117100000112.1G569 I573 G844 T845 V846 L851 S852G569-A848 VanDerWaalsContact CA-O 3.26Å; G569-A848 WeakPolarHBondContact CA-O 3.26Å; I573-A848 HydrophobicContact CD1-CB 3.82Å; G844-A848 PolarHBondContact O-N 3.21Å; T845-A848 WeakPolarHBondContact O-CB 3.46Å; T845-A848 PolarHBondContact O-N 2.91Å; V846-A848 VanDerWaalsContact C-N 3.3Å; V846-A848 PolarHBondContact O-N 3.23Å; A848-L851 PolarHBondContact O-N 3.23Å; A848-S852 PolarHBondContact O-N 3.46Å
849G98.6Very high97.7Very high0 Ų09 Ų90%06%0.055CC..Hα-helixtrans-58.7-47.3175.100000112.5H752 T845 V846 S852 L853H752-G849 PolarHBondContact NE2-O 3.25Å; T845-G849 PolarHBondContact O-N 3.14Å; V846-G849 CarbonylContact O-C 3.54Å; V846-G849 WeakPolarHBondContact O-CA 3.38Å; V846-G849 PolarHBondContact O-N 3.47Å; G849-S852 PolarHBondContact O-N 3.35Å; G849-L853 PolarHBondContact O-N 3.06Å
850E98.8Very high97Very high0 Ų011.7 Ų11.70%08%0.082CC..Hα-helixtrans-58.5-49.6179.1-68.4-73.5110.100111N750 A751 H752 T779 I793 V846 M847 S852 L853 M854N750-E850 WeakPolarHBondContact CB-OE2 3.48Å; A751-E850 WeakPolarHBondContact CA-OE1 3.27Å; A751-E850 VanDerWaalsContact CB-OE1 3.28Å; A751-E850 WeakPolarHBondContact CB-OE1 3.49Å; A751-E850 VanDerWaalsContact N-CD 3.29Å; A751-E850 PolarHBondContact N-OE1 3.05Å; A751-E850 PolarHBondContact N-OE2 2.94Å; H752-E850 IonicContact CD2-OE1 3.46Å; H752-E850 PolarHBondContact N-OE1 3.31Å; T779-E850 WeakPolarHBondContact CB-OE2 3.44Å; T779-E850 HydrophobicContact CG2-CB 4.2Å; T779-E850 HydrophobicContact CG2-CG 4.29Å; T779-E850 PolarHBondContact OG1-OE2 3.49Å; I793-E850 HydrophobicContact CD1-CB 4.46Å; V846-E850 HydrophobicContact CG1-CG 4.14Å; V846-E850 VanDerWaalsContact O-CG 3.31Å; V846-E850 WeakPolarHBondContact O-CG 3.36Å; V846-E850 PolarHBondContact O-N 3.48Å; M847-E850 PolarHBondContact O-N 3.11Å; E850-S852 PolarHBondContact O-N 3.41Å; E850-L853 PolarHBondContact O-N 3.06Å; E850-M854 VanDerWaalsContact O-CB 3.26Å; E850-M854 WeakPolarHBondContact O-CB 3.5Å; E850-M854 WeakPolarHBondContact O-CG 3.43Å; E850-M854 PolarHBondContact O-N 3.31Å
851L98.6Very high96.1Very high0 Ų013.4 Ų13.40%09%0.092CC..Hα-helixtrans-52.7-49.8177.1-81.7171.1000112.7I573 I712 L721 M728 L791 I793 M847 A848 A855I573-L851 HydrophobicContact CD1-CD1 4.11Å; I573-L851 HydrophobicContact CG1-CD1 3.7Å; I712-L851 HydrophobicContact CD1-CD1 3.81Å; I712-L851 HydrophobicContact CG1-CD1 3.87Å; I712-L851 HydrophobicContact CG1-CD2 4.02Å; L721-L851 HydrophobicContact CD1-CB 4.46Å; L721-L851 HydrophobicContact CD1-CD2 4.09Å; M728-L851 HydrophobicContact CE-CD2 3.99Å; M728-L851 WeakPolarHBondContact CE-O 3.35Å; L791-L851 HydrophobicContact CD2-CD2 3.79Å; I793-L851 HydrophobicContact CB-CD2 4.38Å; I793-L851 HydrophobicContact CD1-CD2 3.74Å; I793-L851 HydrophobicContact CD1-CG 3.67Å; I793-L851 HydrophobicContact CG2-CD1 4.26Å; I793-L851 HydrophobicContact CG2-CD2 4.03Å; I793-L851 HydrophobicContact CG2-CG 4.28Å; M847-L851 WeakPolarHBondContact O-CG 3.47Å; M847-L851 PolarHBondContact O-N 2.97Å; A848-L851 PolarHBondContact O-N 3.23Å; L851-A855 VanDerWaalsContact O-CB 3.23Å; L851-A855 WeakPolarHBondContact O-CB 3.33Å; L851-A855 PolarHBondContact O-N 2.97Å; L851-A855 VanDerWaalsContact O-N 3.11Å
852S98.4Very high94.9Very high1 Ų116.1 Ų16.11%0.00711%0.106CC..Hα-helixtrans-73.8-37.2-175.4-178.70000112.9S565 R568 A848 G849 E850 A856S565-S852 WeakPolarHBondContact O-CB 3.38Å; S565-S852 PolarHBondContact O-OG 3.16Å; S565-S852 VanDerWaalsContact O-OG 3.12Å; S565-S852 VanDerWaalsContact OG-CB 3.29Å; S565-S852 WeakPolarHBondContact OG-CB 3.49Å; S565-S852 PolarHBondContact OG-OG 3Å; R568-S852 PolarHBondContact NH1-O 3.05Å; R568-S852 PolarHBondContact NH1-OG 2.96Å; R568-S852 VanDerWaalsContact NH1-OG 3.12Å; A848-S852 PolarHBondContact O-N 3.46Å; G849-S852 PolarHBondContact O-N 3.35Å; E850-S852 PolarHBondContact O-N 3.41Å; S852-A856 WeakPolarHBondContact O-CB 3.29Å; S852-A856 PolarHBondContact O-N 2.71Å
853L98.1Very high93.6Very high27 Ų2721.4 Ų21.414%0.14114%0.138CC..Hα-helixtrans-70-46.9177.1178.158.3000111.5A751 H752 G849 E850 A855 A856 L857 L862A751-L853 HydrophobicContact CB-CD2 3.83Å; A751-L853 HydrophobicContact CB-CG 4.33Å; H752-L853 HydrophobicContact CB-CD2 3.65Å; H752-L853 WeakPolarHBondContact CD2-CD2 3.39Å; G849-L853 PolarHBondContact O-N 3.06Å; E850-L853 PolarHBondContact O-N 3.06Å; L853-A855 VanDerWaalsContact C-N 3.26Å; L853-A855 PolarHBondContact O-N 3Å; L853-A856 CarbonylContact O-C 3.58Å; L853-A856 WeakPolarHBondContact O-CA 3.4Å; L853-A856 WeakPolarHBondContact O-CB 3.11Å; L853-A856 PolarHBondContact O-N 3.1Å; L853-L857 HydrophobicContact CD1-CG 4.41Å; L853-L857 HydrophobicContact CG-CD1 4.29Å; L853-L857 WeakPolarHBondContact O-CG 3.43Å; L853-L857 PolarHBondContact O-N 3.42Å; L853-L862 HydrophobicContact CD1-CD1 3.67Å
854M98.3Very high92.2Very high0 Ų028 Ų280%017%0.166CC..Hα-helixtrans-61.5-37.5178.4-67.1-64.7-77.500111.3M728 V731 N732 A751 M781 E850 L857 A858M728-M854 HydrophobicContact CE-CB 3.95Å; M728-M854 HydrophobicContact SD-CB 4.08Å; V731-M854 HydrophobicContact CB-CE 4.32Å; V731-M854 HydrophobicContact CG1-CE 3.77Å; V731-M854 HydrophobicContact CG1-SD 4.4Å; N732-M854 HydrophobicContact CB-CE 3.84Å; A751-M854 HydrophobicContact CB-CG 3.94Å; A751-M854 HydrophobicContact CB-SD 3.61Å; M781-M854 HydrophobicContact CE-CB 3.93Å; M781-M854 HydrophobicContact CE-CE 4.49Å; M781-M854 HydrophobicContact CE-CG 3.8Å; E850-M854 VanDerWaalsContact O-CB 3.26Å; E850-M854 WeakPolarHBondContact O-CB 3.5Å; E850-M854 WeakPolarHBondContact O-CG 3.43Å; E850-M854 PolarHBondContact O-N 3.31Å; M854-L857 WeakPolarHBondContact O-CB 3.33Å; M854-L857 PolarHBondContact O-N 3.31Å; M854-L857 HydrophobicContact SD-CD1 4.04Å; M854-A858 WeakPolarHBondContact O-CB 3.47Å; M854-A858 PolarHBondContact O-N 3.43Å
855A97.8Very high90.7Very high0 Ų030.1 Ų30.10%018%0.181CC..Hα-helixtrans-67.6-35.817300000113.3L721 T723 M728 L851 L853 L857 A859L721-A855 HydrophobicContact CB-CB 3.71Å; L721-A855 HydrophobicContact CD2-CB 4.25Å; L721-A855 HydrophobicContact CG-CB 4.41Å; L721-A855 WeakPolarHBondContact O-CB 3.38Å; T723-A855 HydrophobicContact CG2-CB 3.79Å; M728-A855 HydrophobicContact CE-CB 4.3Å; M728-A855 WeakPolarHBondContact SD-CA 3.31Å; M728-A855 HydrophobicContact SD-CB 3.68Å; M728-A855 PolarHBondContact SD-N 3.46Å; L851-A855 VanDerWaalsContact O-CB 3.23Å; L851-A855 WeakPolarHBondContact O-CB 3.33Å; L851-A855 PolarHBondContact O-N 2.97Å; L851-A855 VanDerWaalsContact O-N 3.11Å; L853-A855 VanDerWaalsContact C-N 3.26Å; L853-A855 PolarHBondContact O-N 3Å; A855-L857 VanDerWaalsContact C-N 3.3Å; A855-A859 VanDerWaalsContact O-CB 3.3Å; A855-A859 WeakPolarHBondContact O-CB 3.29Å; A855-A859 PolarHBondContact O-N 3.44Å
856A95.3Very high89.3Confident9 Ų932.5 Ų32.57%0.07419%0.192CC..Hα-helixtrans-70.6-25.3174.700000113S852 L853 G860 H861 L862S852-A856 WeakPolarHBondContact O-CB 3.29Å; S852-A856 PolarHBondContact O-N 2.71Å; L853-A856 CarbonylContact O-C 3.58Å; L853-A856 WeakPolarHBondContact O-CA 3.4Å; L853-A856 WeakPolarHBondContact O-CB 3.11Å; L853-A856 PolarHBondContact O-N 3.1Å; A856-G860 PolarHBondContact O-N 3.07Å; A856-H861 PolarHBondContact O-N 3.19Å; A856-L862 PolarHBondContact O-N 3.21Å; A856-L862 VanDerWaalsContact O-N 3.15Å
857L93.7Very high87.7Confident59 Ų5937 Ų3731%0.30922%0.215SC..Hα-helixtrans-75.4-54.5170.3-71.1169000111V731 K735 L853 M854 A855 A859 G860 L862V731-L857 HydrophobicContact CG1-CB 4.29Å; K735-L857 HydrophobicContact CD-CD1 3.95Å; L853-L857 HydrophobicContact CD1-CG 4.41Å; L853-L857 HydrophobicContact CG-CD1 4.29Å; L853-L857 WeakPolarHBondContact O-CG 3.43Å; L853-L857 PolarHBondContact O-N 3.42Å; M854-L857 WeakPolarHBondContact O-CB 3.33Å; M854-L857 PolarHBondContact O-N 3.31Å; M854-L857 HydrophobicContact SD-CD1 4.04Å; A855-L857 VanDerWaalsContact C-N 3.3Å; L857-A859 VanDerWaalsContact C-N 3.26Å; L857-A859 PolarHBondContact O-N 2.91Å; L857-G860 PolarHBondContact O-N 3.17Å; L857-L862 HydrophobicContact CD2-CD2 3.85Å
858A95.2Very high86.3Confident31 Ų3141.9 Ų41.926%0.25624%0.24SC..Hα-helixtrans-57-36.4-179.800000113.1A727 V731 M854A727-A858 HydrophobicContact CB-CB 4.17Å; V731-A858 HydrophobicContact CG2-CB 4.03Å; M854-A858 WeakPolarHBondContact O-CB 3.47Å; M854-A858 PolarHBondContact O-N 3.43Å
859A90.5Very high84.8Confident31 Ų3147.7 Ų47.726%0.25627%0.267SS..THydrogen-bonded Turntrans-89.64.3176.600000114.7K722 A855 L857 H861K722-A859 WeakPolarHBondContact O-CB 3.31Å; A855-A859 VanDerWaalsContact O-CB 3.3Å; A855-A859 WeakPolarHBondContact O-CB 3.29Å; A855-A859 PolarHBondContact O-N 3.44Å; L857-A859 VanDerWaalsContact C-N 3.26Å; L857-A859 PolarHBondContact O-N 2.91Å; A859-H861 VanDerWaalsContact CB-ND1 3.33Å; A859-H861 WeakPolarHBondContact CB-ND1 3.18Å; A859-H861 PolarHBondContact O-CD2 3.42Å; A859-H861 PolarHBondContact O-N 3.05Å
860G83.8Confident82.6Confident55 Ų5550.5 Ų50.557%0.56728%0.282SS*.THydrogen-bonded Turntrans6325.6-179.800000114.7A856 L857A856-G860 PolarHBondContact O-N 3.07Å; L857-G860 PolarHBondContact O-N 3.17Å
861H80.4Confident80.1Confident69 Ų6959 Ų5932%0.31931%0.314SS..  trans-92.9-18.8-172.6-71.5150.1000114.7A856 A859 V863 K864 S865A856-H861 PolarHBondContact O-N 3.19Å; A859-H861 VanDerWaalsContact CB-ND1 3.33Å; A859-H861 WeakPolarHBondContact CB-ND1 3.18Å; A859-H861 PolarHBondContact O-CD2 3.42Å; A859-H861 PolarHBondContact O-N 3.05Å; H861-V863 PolarHBondContact O-N 2.87Å; H861-K864 WeakPolarHBondContact O-CB 3.08Å; H861-K864 PolarHBondContact O-N 3.44Å; H861-S865 PolarHBondContact O-N 3.4Å; H861-S865 VanDerWaalsContact O-N 3.14Å; H861-S865 PolarHBondContact O-OG 2.9Å
862L73.5Confident77.7Confident57 Ų5762.9 Ų62.930%0.29834%0.341SS..Hα-helixtrans-46.1-55.2-172.7-175.667.3000114.2L853 A856 L857 K864 S865 H866L853-L862 HydrophobicContact CD1-CD1 3.67Å; A856-L862 PolarHBondContact O-N 3.21Å; A856-L862 VanDerWaalsContact O-N 3.15Å; L857-L862 HydrophobicContact CD2-CD2 3.85Å; L862-K864 VanDerWaalsContact C-N 3.31Å; L862-K864 PolarHBondContact O-N 3.36Å; L862-S865 PolarHBondContact O-N 3.36Å; L862-H866 PolarHBondContact O-CD2 3.46Å; L862-H866 PolarHBondContact O-N 2.93Å; L862-H866 VanDerWaalsContact O-N 3.07Å
863V70.3Confident75.3Confident110 Ų11071.8 Ų71.867%0.66738%0.38SS*.Hα-helixtrans-62.1-38.4-176.5-178.60000111.8H861 M867H861-V863 PolarHBondContact O-N 2.87Å; V863-M867 HydrophobicContact CG1-CG 4.49Å; V863-M867 WeakPolarHBondContact O-CG 3.32Å; V863-M867 PolarHBondContact O-N 3.04Å; V863-M867 VanDerWaalsContact O-N 3.08Å
864K70.5Confident72.9Confident138 Ų13875.8 Ų75.860%0.640%0.4SS*.Hα-helixtrans-64.4-44.2178.6-61.9178.7-177.2171.20110.6H861 L862 M867 I868H861-K864 WeakPolarHBondContact O-CB 3.08Å; H861-K864 PolarHBondContact O-N 3.44Å; L862-K864 VanDerWaalsContact C-N 3.31Å; L862-K864 PolarHBondContact O-N 3.36Å; K864-M867 PolarHBondContact O-N 3.22Å; K864-I868 WeakPolarHBondContact O-CD1 3.24Å; K864-I868 WeakPolarHBondContact O-CG1 3.23Å; K864-I868 PolarHBondContact O-N 3.39Å
865S66.7Low70.2Confident45 Ų4579.4 Ų79.432%0.31542%0.42SS..Hα-helixtrans-62.5-48.9178-57.50000112.2C561 H861 L862 M867 I868 H869C561-S865 VanDerWaalsContact SG-C 3.53Å; C561-S865 PolarHBondContact SG-O 3Å; H861-S865 PolarHBondContact O-N 3.4Å; H861-S865 VanDerWaalsContact O-N 3.14Å; H861-S865 PolarHBondContact O-OG 2.9Å; L862-S865 PolarHBondContact O-N 3.36Å; S865-M867 VanDerWaalsContact C-N 3.32Å; S865-M867 PolarHBondContact O-N 3.47Å; S865-I868 PolarHBondContact O-N 3.03Å; S865-H869 PolarHBondContact O-N 3.49Å; S865-H869 VanDerWaalsContact O-N 3.14Å
866H69.9Low68Low50 Ų5085.2 Ų85.223%0.23145%0.45CS..Hα-helixtrans-63.4-35.2179.8-79.3-113.1000112.4E559 L862 I868 N870E559-H866 IonicContact OE1-CE1 3.94Å; L862-H866 PolarHBondContact O-CD2 3.46Å; L862-H866 PolarHBondContact O-N 2.93Å; L862-H866 VanDerWaalsContact O-N 3.07Å; H866-I868 VanDerWaalsContact C-N 3.25Å; H866-I868 PolarHBondContact O-N 3.42Å; H866-N870 HydrophobicContact CB-CB 4.22Å; H866-N870 PolarHBondContact ND1-ND2 2.95Å; H866-N870 CarbonylContact O-C 3.58Å; H866-N870 VanDerWaalsContact O-CA 3.29Å; H866-N870 WeakPolarHBondContact O-CA 3.43Å; H866-N870 WeakPolarHBondContact O-CB 3.42Å; H866-N870 PolarHBondContact O-N 3.22Å
867M65.1Low65.8Low95 Ų9591.8 Ų91.847%0.46848%0.479SS..Hα-helixtrans-70.4-16174.5-69.9-62.2100.400114.4V863 K864 S865V863-M867 HydrophobicContact CG1-CG 4.49Å; V863-M867 WeakPolarHBondContact O-CG 3.32Å; V863-M867 PolarHBondContact O-N 3.04Å; V863-M867 VanDerWaalsContact O-N 3.08Å; K864-M867 PolarHBondContact O-N 3.22Å; S865-M867 VanDerWaalsContact C-N 3.32Å; S865-M867 PolarHBondContact O-N 3.47Å
868I70.4Confident63.4Low103 Ų10395.1 Ų95.153%0.52850%0.497SS..Hα-helixtrans-90.8-41.5176.7-64.6164.6000111.6K864 S865 H866K864-I868 WeakPolarHBondContact O-CD1 3.24Å; K864-I868 WeakPolarHBondContact O-CG1 3.23Å; K864-I868 PolarHBondContact O-N 3.39Å; S865-I868 PolarHBondContact O-N 3.03Å; H866-I868 VanDerWaalsContact C-N 3.25Å; H866-I868 PolarHBondContact O-N 3.42Å
869H66.4Low61Low122 Ų12299.4 Ų99.457%0.56552%0.515SS*.Hα-helixtrans-120.9-8.6-170.7-49-83.4000115.9G560 S865G560-H869 WeakPolarHBondContact CA-O 3.39Å; S865-H869 PolarHBondContact O-N 3.49Å; S865-H869 VanDerWaalsContact O-N 3.14Å
870N52.8Low58.5Low59 Ų59105.9 Ų105.932%0.31654%0.54SS..SBendtrans-122.631.9-176.8-155.7-1000112.2G560 H866G560-N870 VanDerWaalsContact CA-CG 3.49Å; G560-N870 VanDerWaalsContact N-CG 3.32Å; G560-N870 PolarHBondContact N-ND2 2.05Å; G560-N870 PolarHBondContact N-OD1 3.24Å; G560-N870 VanDerWaalsContact N-OD1 3.14Å; G560-N870 PolarHBondContact O-ND2 2.66Å; H866-N870 HydrophobicContact CB-CB 4.22Å; H866-N870 PolarHBondContact ND1-ND2 2.95Å; H866-N870 CarbonylContact O-C 3.58Å; H866-N870 VanDerWaalsContact O-CA 3.29Å; H866-N870 WeakPolarHBondContact O-CA 3.43Å; H866-N870 WeakPolarHBondContact O-CB 3.42Å; H866-N870 PolarHBondContact O-N 3.22Å
871R47.2Very low56.2Low177 Ų177106.4 Ų106.467%0.66855%0.546SS*.SBendtrans-149132.5170.4-170.4173.5-176168.52.7108.9
872S47Very low54Low82 Ų82107.4 Ų107.457%0.57357%0.566SS**  trans-66.7136176.558.10000110.8I874S872-I874 PolarHBondContact OG-O 3.48Å
873K47.9Very low52.1Low188 Ų188110.6 Ų110.682%0.81759%0.591SS**SBendtrans-90.5-7.9161.6-64.4-176.6-179.1179.20112.2
874I47.9Very low50.2Low111 Ų111111 Ų11157%0.56959%0.594SS**SBendtrans-89.1124.3175.8-58.2171.7000107.4S872 L876 L879S872-I874 PolarHBondContact OG-O 3.48Å; I874-L876 PolarHBondContact O-N 3.3Å; I874-L879 HydrophobicContact CG2-CD1 3.79Å; I874-L879 HydrophobicContact CG2-CG 4.48Å
875N42.3Very low48.5Very low77 Ų77113.8 Ų113.841%0.41261%0.607SS.*  trans-74.7115.4171178.826.8000108.8Q877 D878N875-Q877 PolarHBondContact O-N 2.93Å; N875-D878 VanDerWaalsContact CB-OD2 3.29Å; N875-D878 WeakPolarHBondContact CB-OD2 3.49Å; N875-D878 VanDerWaalsContact ND2-CG 3.34Å; N875-D878 PolarHBondContact ND2-OD2 2.77Å; N875-D878 PolarHBondContact O-N 3.23Å
876L52Low46.7Very low121 Ų121121.4 Ų121.463%0.63463%0.634SS**G310 helixtrans-70.2-16.3-173.6-69.3170000113.2I874 L879I874-L876 PolarHBondContact O-N 3.3Å; L876-L879 HydrophobicContact CD2-CD1 4.23Å
877Q47.9Very low45Very low147 Ų147125.7 Ų125.769%0.68766%0.664SS**G310 helixtrans-68.2-37.2173.7-66.9178-23.700111.8N875 L879 Q880N875-Q877 PolarHBondContact O-N 2.93Å; Q877-L879 PolarHBondContact O-N 3.12Å; Q877-Q880 PolarHBondContact O-N 3.03Å; Q877-Q880 VanDerWaalsContact O-N 3.08Å
878D42.7Very low43.2Very low129 Ų129129.6 Ų129.669%0.6971%0.711SS**G310 helixtrans-73-9-178.4-58.7-42.2000113.3N875N875-D878 VanDerWaalsContact CB-OD2 3.29Å; N875-D878 WeakPolarHBondContact CB-OD2 3.49Å; N875-D878 VanDerWaalsContact ND2-CG 3.34Å; N875-D878 PolarHBondContact ND2-OD2 2.77Å; N875-D878 PolarHBondContact O-N 3.23Å
879L44.8Very low41.9Very low122 Ų122130.9 Ų130.964%0.63972%0.72SS**G310 helixtrans-90-11.1172.2-78.6165.7000113.3I874 L876 Q877 G881I874-L879 HydrophobicContact CG2-CD1 3.79Å; I874-L879 HydrophobicContact CG2-CG 4.48Å; L876-L879 HydrophobicContact CD2-CD1 4.23Å; Q877-L879 PolarHBondContact O-N 3.12Å; L879-G881 VanDerWaalsContact C-N 3.33Å; L879-G881 PolarHBondContact O-N 3.09Å
880Q39.6Very low40.6Very low166 Ų166131.4 Ų131.478%0.77673%0.728SS**SBendtrans-79.387.2167.9-69-171.9-23.500108.7Q877Q877-Q880 PolarHBondContact O-N 3.03Å; Q877-Q880 VanDerWaalsContact O-N 3.08Å
881G35.7Very low39.9Very low67 Ų67135.4 Ų135.469%0.69175%0.751SS**  trans-49.8138.1-172.900000114L879 C883L879-G881 VanDerWaalsContact C-N 3.33Å; L879-G881 PolarHBondContact O-N 3.09Å; G881-C883 PolarHBondContact O-N 2.74Å
882A33.9Very low39.5Very low90 Ų90132.9 Ų132.974%0.74476%0.756SS**  trans-56.9104.4-16900000114.1T884A882-T884 VanDerWaalsContact C-N 3.25Å; A882-T884 PolarHBondContact O-N 3.13Å
883C32.3Very low39Very low123 Ų123136.1 Ų136.183%0.83177%0.768SS**  trans-92.548.6164.5-166.30000111G881 K885G881-C883 PolarHBondContact O-N 2.74Å; C883-K885 PolarHBondContact O-N 3.09Å; C883-K885 VanDerWaalsContact O-N 3.11Å
884T30.9Very low38.4Very low118 Ų118132.7 Ų132.772%0.72476%0.764SS**  trans-68106.617433.80000109.8A882 K886A882-T884 VanDerWaalsContact C-N 3.25Å; A882-T884 PolarHBondContact O-N 3.13Å; T884-K886 PolarHBondContact O-N 2.98Å
885K34.4Very low37.7Very low198 Ų198134.2 Ų134.286%0.86178%0.778SS**  trans-56.8101.9172.3-70.7-176.6177.9-179.50110C883 T887C883-K885 PolarHBondContact O-N 3.09Å; C883-K885 VanDerWaalsContact O-N 3.11Å; K885-T887 PolarHBondContact O-N 3.35Å
886K29.7Very low37.4Very low204 Ų204138.6 Ų138.689%0.88781%0.806SS**  trans-77.8113.7156.1-80.6-169.6173.6-176.30107.6T884T884-K886 PolarHBondContact O-N 2.98Å
887T33.6Very low36.2Very low141 Ų141140.1 Ų140.187%0.86582%0.821SS**  trans-72.4124.3172.947.20000110.6K885K885-T887 PolarHBondContact O-N 3.35Å
888A28.6Very low35.1Very low176 Ų176139.5 Ų139.5100%1.45583%0.833SS**  trans-141.80152.500000106.5

Retrieved 888 of 888 residues in 164 ms (Link to these results)

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