A0A077ZEX3_TRITR Loading...

Metastasis suppressor protein 1

AlphaFold DB , UniProt , Accession A0A077ZEX3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 610 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
1M90.7Very high94.3Very high211 Ų211101.5 Ų101.5100%1.03947%0.466SS*.  0-510-73.5-162.9-74.200113.9H3 R4M1-H3 VanDerWaalsContact C-N 3.28Å; M1-H3 PolarHBondContact O-N 3.05Å; M1-R4 PolarHBondContact O-N 3.11Å
2R92.1Very high94.4Very high89 Ų89100.7 Ų100.734%0.33647%0.474SS..Hα-helixtrans-43.4-43.7-174.9-68.2-69.1-174.8-156.41115.5R4 S5 I6 L139R2-R4 VanDerWaalsContact C-N 3.27Å; R2-R4 PolarHBondContact O-N 2.9Å; R2-S5 WeakPolarHBondContact O-CA 3.37Å; R2-S5 WeakPolarHBondContact O-CB 3.28Å; R2-S5 PolarHBondContact O-N 2.82Å; R2-I6 PolarHBondContact O-N 2.95Å; R2-I6 VanDerWaalsContact O-N 3.08Å; R2-L139 HydrophobicContact CB-CD1 4.14Å; R2-L139 HydrophobicContact CG-CD1 3.47Å; R2-L139 VanDerWaalsContact CG-CD1 3.47Å; R2-L139 HydrophobicContact CG-CG 4.4Å
3H93.5Very high94.5Very high134 Ų13493.2 Ų93.262%0.6244%0.439SS*.Hα-helixtrans-53.2-36.8176.3-66.4-72.7000114.4M1 S5 I6 E7M1-H3 VanDerWaalsContact C-N 3.28Å; M1-H3 PolarHBondContact O-N 3.05Å; H3-S5 VanDerWaalsContact C-N 3.32Å; H3-S5 PolarHBondContact O-N 3.27Å; H3-I6 PolarHBondContact O-N 2.87Å; H3-E7 VanDerWaalsContact O-CB 3.3Å; H3-E7 WeakPolarHBondContact O-CB 3.34Å; H3-E7 PolarHBondContact O-N 3.01Å
4R94.6Very high94.6Very high190 Ų19088.5 Ų88.572%0.71742%0.42SS*.Hα-helixtrans-69.7-27.5174.4-68.3-173.7-177.41710.4112.9M1 R2 N8M1-R4 PolarHBondContact O-N 3.11Å; R2-R4 VanDerWaalsContact C-N 3.27Å; R2-R4 PolarHBondContact O-N 2.9Å; R4-N8 WeakPolarHBondContact O-CB 3.3Å; R4-N8 VanDerWaalsContact O-CG 3.25Å; R4-N8 PolarHBondContact O-N 3.03Å; R4-N8 PolarHBondContact O-ND2 3.36Å
5S93.1Very high94.7Very high40 Ų4086.5 Ų86.528%0.2842%0.419SS..Hα-helixtrans-68.2-47.3172.7-163.30000110.2R2 H3 N8 R9 E132R2-S5 WeakPolarHBondContact O-CA 3.37Å; R2-S5 WeakPolarHBondContact O-CB 3.28Å; R2-S5 PolarHBondContact O-N 2.82Å; H3-S5 VanDerWaalsContact C-N 3.32Å; H3-S5 PolarHBondContact O-N 3.27Å; S5-N8 PolarHBondContact O-N 3.2Å; S5-R9 WeakPolarHBondContact O-CB 3.28Å; S5-R9 VanDerWaalsContact O-CG 3.29Å; S5-R9 WeakPolarHBondContact O-CG 3.44Å; S5-R9 PolarHBondContact O-N 3.14Å; S5-E132 VanDerWaalsContact CB-OE2 3.27Å; S5-E132 WeakPolarHBondContact CB-OE2 3.38Å; S5-E132 PolarHBondContact OG-OE2 3.27Å
6I95.5Very high94.7Very high33 Ų3382.8 Ų82.817%0.16940%0.404CS..Hα-helixtrans-62.9-44.2177.1-63.3166.2000110.8R2 H3 N8 R9 L10 L129 E132 I136R2-I6 PolarHBondContact O-N 2.95Å; R2-I6 VanDerWaalsContact O-N 3.08Å; H3-I6 PolarHBondContact O-N 2.87Å; I6-N8 PolarHBondContact O-N 2.94Å; I6-R9 PolarHBondContact O-N 3.31Å; I6-L10 PolarHBondContact O-N 3.3Å; I6-L129 HydrophobicContact CG2-CD1 3.81Å; I6-L129 WeakPolarHBondContact O-CD1 3.41Å; I6-E132 HydrophobicContact CG1-CB 4.33Å; I6-I136 HydrophobicContact CD1-CD1 3.54Å; I6-I136 HydrophobicContact CD1-CG1 4.04Å
7E95.3Very high94.8Very high95 Ų9578.8 Ų78.844%0.44439%0.386SS..Hα-helixtrans-58.1-44.4174.2-170.7-159147.300112H3 L10 K11H3-E7 VanDerWaalsContact O-CB 3.3Å; H3-E7 WeakPolarHBondContact O-CB 3.34Å; H3-E7 PolarHBondContact O-N 3.01Å; E7-L10 PolarHBondContact O-N 3.06Å; E7-K11 WeakPolarHBondContact O-CG 3.47Å; E7-K11 PolarHBondContact O-N 3.36Å; E7-K11 VanDerWaalsContact O-N 3.12Å; E7-K11 WeakPolarHBondContact OE1-CE 3.47Å; E7-K11 IonicContact OE1-NZ 2.65Å; E7-K11 PolarHBondContact OE1-NZ 3.12Å
8N95.2Very high94.8Very high89 Ų8978.9 Ų78.948%0.47639%0.387SS..Hα-helixtrans-68.8-37.6176.6-75.1-11000112.3R4 S5 I6 K11 T12R4-N8 WeakPolarHBondContact O-CB 3.3Å; R4-N8 VanDerWaalsContact O-CG 3.25Å; R4-N8 PolarHBondContact O-N 3.03Å; R4-N8 PolarHBondContact O-ND2 3.36Å; S5-N8 PolarHBondContact O-N 3.2Å; I6-N8 PolarHBondContact O-N 2.94Å; N8-K11 WeakPolarHBondContact O-CB 3.34Å; N8-K11 PolarHBondContact O-N 2.99Å; N8-K11 VanDerWaalsContact O-N 3.15Å; N8-K11 PolarHBondContact OD1-NZ 3.08Å; N8-T12 PolarHBondContact O-N 2.9Å; N8-T12 PolarHBondContact O-OG1 3.07Å
9R94.6Very high94.8Very high65 Ų6580.2 Ų80.225%0.24540%0.396CS..Hα-helixtrans-62-41.9173.7-73.9169.9166.1-77.98.9111.5S5 I6 K11 T12 L13 S128 L129 E132S5-R9 WeakPolarHBondContact O-CB 3.28Å; S5-R9 VanDerWaalsContact O-CG 3.29Å; S5-R9 WeakPolarHBondContact O-CG 3.44Å; S5-R9 PolarHBondContact O-N 3.14Å; I6-R9 PolarHBondContact O-N 3.31Å; R9-K11 VanDerWaalsContact C-N 3.28Å; R9-K11 PolarHBondContact O-N 2.89Å; R9-T12 PolarHBondContact O-N 2.96Å; R9-L13 WeakPolarHBondContact O-CB 3.36Å; R9-L13 PolarHBondContact O-N 3.19Å; R9-S128 VanDerWaalsContact CZ-O 3.31Å; R9-S128 PolarHBondContact NH1-O 2.88Å; R9-S128 PolarHBondContact NH1-OG 3.47Å; R9-L129 HydrophobicContact CB-CD1 3.54Å; R9-E132 IonicContact CZ-OE1 3.76Å; R9-E132 VanDerWaalsContact CZ-OE1 3.24Å; R9-E132 IonicContact NE-OE1 2.73Å; R9-E132 PolarHBondContact NE-OE1 3.03Å; R9-E132 IonicContact NE-OE2 2.96Å; R9-E132 IonicContact NH2-OE1 2.71Å; R9-E132 PolarHBondContact NH2-OE1 2.95Å
10L96.5Very high94.8Very high66 Ų6678 Ų7835%0.34639%0.388SS..Hα-helixtrans-62.9-31.2173.7-165.273.1000112.6I6 E7 T14 L129 R307 Q308I6-L10 PolarHBondContact O-N 3.3Å; E7-L10 PolarHBondContact O-N 3.06Å; L10-T14 WeakPolarHBondContact O-CB 3.38Å; L10-T14 PolarHBondContact O-N 2.96Å; L10-T14 PolarHBondContact O-OG1 2.91Å; L10-L129 HydrophobicContact CD1-CD2 4.09Å; L10-R307 HydrophobicContact CD1-CB 4.29Å; L10-Q308 HydrophobicContact CD1-CB 4.27Å; L10-Q308 PolarHBondContact O-OE1 3.27Å; L10-Q308 VanDerWaalsContact O-OE1 3.11Å
11K95.9Very high94.7Very high104 Ų10475.1 Ų75.145%0.45237%0.374SS..Hα-helixtrans-71.6-43.4172.1-67.8167.9-167.7163.30112.3E7 N8 R9 L13 T14 S15E7-K11 WeakPolarHBondContact O-CG 3.47Å; E7-K11 PolarHBondContact O-N 3.36Å; E7-K11 VanDerWaalsContact O-N 3.12Å; E7-K11 WeakPolarHBondContact OE1-CE 3.47Å; E7-K11 IonicContact OE1-NZ 2.65Å; E7-K11 PolarHBondContact OE1-NZ 3.12Å; N8-K11 WeakPolarHBondContact O-CB 3.34Å; N8-K11 PolarHBondContact O-N 2.99Å; N8-K11 VanDerWaalsContact O-N 3.15Å; N8-K11 PolarHBondContact OD1-NZ 3.08Å; R9-K11 VanDerWaalsContact C-N 3.28Å; R9-K11 PolarHBondContact O-N 2.89Å; K11-L13 VanDerWaalsContact C-N 3.32Å; K11-L13 PolarHBondContact O-N 2.72Å; K11-T14 VanDerWaalsContact O-CB 3.29Å; K11-T14 WeakPolarHBondContact O-CB 3.32Å; K11-T14 PolarHBondContact O-N 3.41Å; K11-S15 PolarHBondContact O-N 3.33Å; K11-S15 VanDerWaalsContact O-N 3.12Å
12T95.4Very high94.8Very high92 Ų9266.7 Ų66.756%0.56433%0.334SS*.Hα-helixtrans-59.8-46172.8-56.50000110.9N8 R9 T14 S15 S16N8-T12 PolarHBondContact O-N 2.9Å; N8-T12 PolarHBondContact O-OG1 3.07Å; R9-T12 PolarHBondContact O-N 2.96Å; T12-T14 PolarHBondContact O-N 3.09Å; T12-S15 PolarHBondContact O-N 2.86Å; T12-S15 VanDerWaalsContact O-N 3.1Å; T12-S16 PolarHBondContact O-N 2.63Å; T12-S16 PolarHBondContact O-OG 2.93Å
13L96.4Very high94.8Very high4 Ų464.7 Ų64.72%0.02134%0.337CS..Hα-helixtrans-63.6-28.6179.1-164.651.7000113.1R9 K11 L17 I122 E126 L129 Q308 N309R9-L13 WeakPolarHBondContact O-CB 3.36Å; R9-L13 PolarHBondContact O-N 3.19Å; K11-L13 VanDerWaalsContact C-N 3.32Å; K11-L13 PolarHBondContact O-N 2.72Å; L13-L17 PolarHBondContact O-N 3.21Å; L13-L17 VanDerWaalsContact O-N 3.09Å; L13-I122 WeakPolarHBondContact CD1-O 3.2Å; L13-E126 HydrophobicContact CD2-CB 3.81Å; L13-L129 HydrophobicContact CD2-CB 4.39Å; L13-L129 HydrophobicContact CD2-CD2 3.97Å; L13-Q308 HydrophobicContact CD2-CB 3.66Å; L13-Q308 HydrophobicContact CD2-CG 4.27Å; L13-Q308 HydrophobicContact CG-CB 3.8Å; L13-Q308 HydrophobicContact CG-CG 3.83Å; L13-N309 HydrophobicContact CD1-CB 3.7Å; L13-N309 HydrophobicContact CD2-CB 4.45Å; L13-N309 HydrophobicContact CG-CB 4.02Å; L13-N309 PolarHBondContact O-ND2 3.06Å
14T95.9Very high94.8Very high27 Ų2759.6 Ų59.617%0.16632%0.315CS..Hα-helixtrans-66.2-48.9168.5-71.20000113.3L10 K11 T12 L17 I18 R307 Q308L10-T14 WeakPolarHBondContact O-CB 3.38Å; L10-T14 PolarHBondContact O-N 2.96Å; L10-T14 PolarHBondContact O-OG1 2.91Å; K11-T14 VanDerWaalsContact O-CB 3.29Å; K11-T14 WeakPolarHBondContact O-CB 3.32Å; K11-T14 PolarHBondContact O-N 3.41Å; T12-T14 PolarHBondContact O-N 3.09Å; T14-L17 PolarHBondContact O-N 3.27Å; T14-I18 PolarHBondContact O-N 3.13Å; T14-R307 PolarHBondContact OG1-NH1 2.73Å; T14-Q308 PolarHBondContact OG1-NE2 2.99Å; T14-Q308 PolarHBondContact OG1-OE1 3.49Å
15S95.8Very high94.7Very high59 Ų5951.1 Ų51.141%0.41329%0.285SS..Hα-helixtrans-60.5-49.8174.1-66.10000110.4K11 T12 L17 I18 D19K11-S15 PolarHBondContact O-N 3.33Å; K11-S15 VanDerWaalsContact O-N 3.12Å; T12-S15 PolarHBondContact O-N 2.86Å; T12-S15 VanDerWaalsContact O-N 3.1Å; S15-L17 VanDerWaalsContact C-N 3.25Å; S15-L17 PolarHBondContact O-N 3.21Å; S15-L17 VanDerWaalsContact O-N 3.14Å; S15-I18 PolarHBondContact O-N 3.11Å; S15-D19 WeakPolarHBondContact CB-OD2 3.32Å; S15-D19 WeakPolarHBondContact O-CB 3.48Å; S15-D19 PolarHBondContact O-N 2.85Å; S15-D19 VanDerWaalsContact O-OD2 3.1Å
16S95.5Very high94.5Very high26 Ų2654.4 Ų54.418%0.18230%0.295CS..Hα-helixtrans-53.4-39.1177.6-57.70000113.1T12 I18 C20 I122T12-S16 PolarHBondContact O-N 2.63Å; T12-S16 PolarHBondContact O-OG 2.93Å; S16-I18 PolarHBondContact O-N 3.44Å; S16-C20 WeakPolarHBondContact O-CA 3.43Å; S16-C20 WeakPolarHBondContact O-CB 3.19Å; S16-C20 PolarHBondContact O-N 3.01Å; S16-I122 WeakPolarHBondContact O-CD1 3.25Å; S16-I122 WeakPolarHBondContact O-CG1 3.4Å
17L95.6Very high94.3Very high16 Ų1659.7 Ų59.78%0.08432%0.319CS..Iπ-helixtrans-56.6-50175.7-176.655.7000112.6L13 T14 S15 L21 V22 I122 I306 N309L13-L17 PolarHBondContact O-N 3.21Å; L13-L17 VanDerWaalsContact O-N 3.09Å; T14-L17 PolarHBondContact O-N 3.27Å; S15-L17 VanDerWaalsContact C-N 3.25Å; S15-L17 PolarHBondContact O-N 3.21Å; S15-L17 VanDerWaalsContact O-N 3.14Å; L17-L21 HydrophobicContact CD1-CD2 4.49Å; L17-L21 PolarHBondContact O-N 3.33Å; L17-V22 HydrophobicContact CD1-CG2 4.44Å; L17-V22 HydrophobicContact CG-CG2 4.32Å; L17-V22 WeakPolarHBondContact O-CG2 3.41Å; L17-V22 PolarHBondContact O-N 2.79Å; L17-V22 VanDerWaalsContact O-N 3.1Å; L17-I122 HydrophobicContact CD1-CD1 3.94Å; L17-I306 HydrophobicContact CD1-CD1 4.21Å; L17-I306 HydrophobicContact CD2-CD1 3.9Å; L17-I306 HydrophobicContact CD2-CG2 3.47Å; L17-I306 VanDerWaalsContact CD2-CG2 3.47Å; L17-N309 WeakPolarHBondContact CB-ND2 3.23Å
18I94.5Very high94.1Very high80 Ų8057.8 Ų57.841%0.4131%0.31SS..Iπ-helixtrans-73.5-50.3-173.7-61.6169.2000109.3T14 S15 S16 V22 A23T14-I18 PolarHBondContact O-N 3.13Å; S15-I18 PolarHBondContact O-N 3.11Å; S16-I18 PolarHBondContact O-N 3.44Å; I18-V22 PolarHBondContact O-N 2.97Å; I18-A23 WeakPolarHBondContact O-CB 3.34Å; I18-A23 PolarHBondContact O-N 3Å
19D95Very high93.8Very high104 Ų10454.4 Ų54.456%0.55629%0.291SS*.Iπ-helixtrans-78-32.8-169.5-56-33.7000112.6S15 P24S15-D19 WeakPolarHBondContact CB-OD2 3.32Å; S15-D19 WeakPolarHBondContact O-CB 3.48Å; S15-D19 PolarHBondContact O-N 2.85Å; S15-D19 VanDerWaalsContact O-OD2 3.1Å; D19-P24 WeakPolarHBondContact O-CD 3.16Å
20C94.8Very high93.5Very high35 Ų3555.1 Ų55.124%0.23630%0.297CS..Iπ-helixtrans-97.5-25.6-176.3-52.80000114.6S16 W118 P121 I122S16-C20 WeakPolarHBondContact O-CA 3.43Å; S16-C20 WeakPolarHBondContact O-CB 3.19Å; S16-C20 PolarHBondContact O-N 3.01Å; C20-W118 WeakPolarHBondContact O-CB 3.5Å; C20-P121 HydrophobicContact CB-CG 3.8Å; C20-I122 HydrophobicContact CB-CD1 4.35Å; C20-I122 HydrophobicContact CB-CG1 4.19Å
21L93.1Very high93.3Very high18 Ų1854.9 Ų54.99%0.09430%0.295CS..Iπ-helixtrans-122-56.3179.817967.1000113.7L17 A23 L25 F115 W118 F119 I122L17-L21 HydrophobicContact CD1-CD2 4.49Å; L17-L21 PolarHBondContact O-N 3.33Å; L21-A23 PolarHBondContact O-N 3.06Å; L21-L25 WeakPolarHBondContact O-CB 3.37Å; L21-L25 PolarHBondContact O-N 3.35Å; L21-F115 HydrophobicContact CD1-CD2 3.88Å; L21-F115 HydrophobicContact CD1-CE2 3.8Å; L21-F115 HydrophobicContact CD2-CE2 4.46Å; L21-W118 HydrophobicContact CD1-CB 3.91Å; L21-W118 HydrophobicContact CD1-CE3 4.24Å; L21-F119 HydrophobicContact CD2-CD2 3.99Å; L21-F119 HydrophobicContact CD2-CE2 4.29Å; L21-I122 HydrophobicContact CB-CD1 3.18Å; L21-I122 HydrophobicContact CD2-CD1 4.04Å; L21-I122 HydrophobicContact CG-CD1 4.25Å
22V92.2Very high93.2Very high35 Ų3550.1 Ų50.121%0.21227%0.274CS..Iπ-helixtrans-62.4-49.2-170.3179.90000111.3L17 I18 Q26L17-V22 HydrophobicContact CD1-CG2 4.44Å; L17-V22 HydrophobicContact CG-CG2 4.32Å; L17-V22 WeakPolarHBondContact O-CG2 3.41Å; L17-V22 PolarHBondContact O-N 2.79Å; L17-V22 VanDerWaalsContact O-N 3.1Å; I18-V22 PolarHBondContact O-N 2.97Å; V22-Q26 WeakPolarHBondContact O-CB 3.43Å; V22-Q26 PolarHBondContact O-N 3.42Å
23A92.4Very high92.9Very high47 Ų4751.2 Ų51.239%0.38827%0.267SS..Hα-helixtrans-68.3-48.4179.500000113.4I18 L21 L25 Q26 E27I18-A23 WeakPolarHBondContact O-CB 3.34Å; I18-A23 PolarHBondContact O-N 3Å; L21-A23 PolarHBondContact O-N 3.06Å; A23-L25 PolarHBondContact O-N 3.08Å; A23-Q26 PolarHBondContact O-N 2.65Å; A23-E27 PolarHBondContact O-N 3.33Å
24P93.2Very high92.7Very high26 Ų2657.5 Ų57.517%0.16929%0.291CS..Hα-helixtrans-62.1-37.8176.2-27.838.3000114.1D19 K28 W118D19-P24 WeakPolarHBondContact O-CD 3.16Å; P24-K28 WeakPolarHBondContact O-CG 3.47Å; P24-K28 PolarHBondContact O-N 2.73Å; P24-K28 VanDerWaalsContact O-N 3.12Å; P24-W118 HydrophobicContact CB-CD2 3.94Å; P24-W118 HydrophobicContact CB-CG 4.24Å; P24-W118 HydrophobicContact CB-CZ2 3.98Å
25L92.3Very high92.6Very high13 Ų1358.8 Ų58.87%0.06830%0.297CS..Hα-helixtrans-63.3-50.9173.7-178.560.4000110.1L21 A23 E27 K28 M29 W32 W118 V515 Y519L21-L25 WeakPolarHBondContact O-CB 3.37Å; L21-L25 PolarHBondContact O-N 3.35Å; A23-L25 PolarHBondContact O-N 3.08Å; L25-E27 VanDerWaalsContact C-N 3.31Å; L25-E27 PolarHBondContact O-N 3Å; L25-K28 CarbonylContact O-C 3.53Å; L25-K28 PolarHBondContact O-N 3.21Å; L25-K28 VanDerWaalsContact O-N 3.08Å; L25-M29 HydrophobicContact CD1-SD 3.72Å; L25-M29 HydrophobicContact CG-SD 3.99Å; L25-M29 WeakPolarHBondContact O-CG 3.32Å; L25-M29 PolarHBondContact O-N 3.02Å; L25-W32 HydrophobicContact CD1-CH2 4.15Å; L25-W32 HydrophobicContact CD1-CZ3 3.63Å; L25-W118 HydrophobicContact CB-CE3 4.33Å; L25-W118 HydrophobicContact CB-CZ3 4.08Å; L25-W118 HydrophobicContact CD1-CZ3 3.93Å; L25-V515 HydrophobicContact CB-CG1 4.4Å; L25-V515 HydrophobicContact CD2-CG1 3.62Å; L25-V515 HydrophobicContact CG-CG1 3.74Å; L25-Y519 HydrophobicContact CD1-CD2 4.02Å; L25-Y519 HydrophobicContact CD1-CE2 4.42Å
26Q90.3Very high92.3Very high108 Ų10856 Ų5651%0.50528%0.277SS..Hα-helixtrans-57.9-39.5179.5-173.7177.24.700112.9V22 A23 V515V22-Q26 WeakPolarHBondContact O-CB 3.43Å; V22-Q26 PolarHBondContact O-N 3.42Å; A23-Q26 PolarHBondContact O-N 2.65Å; Q26-V515 HydrophobicContact CB-CG2 4.23Å; Q26-V515 HydrophobicContact CG-CG2 4.29Å
27E91.4Very high92.2Very high145 Ų14556.9 Ų56.968%0.67828%0.281SS*.Hα-helixtrans-62-47.4173.4-174.2-176.217700111.4A23 L25A23-E27 PolarHBondContact O-N 3.33Å; L25-E27 VanDerWaalsContact C-N 3.31Å; L25-E27 PolarHBondContact O-N 3Å
28K91.3Very high92Very high54 Ų5460 Ų6024%0.23530%0.296CS..Hα-helixtrans-76.9-18.8-176.3-71.4-62.4-173.9-178.80115P24 L25 E30 E31 W32 W118P24-K28 WeakPolarHBondContact O-CG 3.47Å; P24-K28 PolarHBondContact O-N 2.73Å; P24-K28 VanDerWaalsContact O-N 3.12Å; L25-K28 CarbonylContact O-C 3.53Å; L25-K28 PolarHBondContact O-N 3.21Å; L25-K28 VanDerWaalsContact O-N 3.08Å; K28-E30 PolarHBondContact O-N 3.38Å; K28-E31 HydrophobicContact CD-CB 4.28Å; K28-E31 WeakPolarHBondContact CD-OE1 3.35Å; K28-E31 WeakPolarHBondContact CD-OE2 3.44Å; K28-E31 IonicContact NZ-OE1 3.67Å; K28-E31 PolarHBondContact NZ-OE1 3.4Å; K28-E31 IonicContact NZ-OE2 2.72Å; K28-E31 PolarHBondContact NZ-OE2 2.85Å; K28-E31 WeakPolarHBondContact O-CB 3.38Å; K28-E31 PolarHBondContact O-N 3.32Å; K28-E31 VanDerWaalsContact O-N 3.09Å; K28-W32 HydrophobicContact CB-CD2 4.06Å; K28-W32 HydrophobicContact CB-CE3 4.45Å; K28-W32 HydrophobicContact CB-CH2 4.43Å; K28-W32 HydrophobicContact CB-CZ2 3.99Å; K28-W32 PolarHBondContact O-N 3.36Å; K28-W118 HydrophobicContact CB-CH2 3.79Å; K28-W118 HydrophobicContact CB-CZ2 4.49Å; K28-W118 HydrophobicContact CG-CH2 3.66Å; K28-W118 HydrophobicContact CG-CZ2 3.87Å
29M88.8Confident91.9Very high18 Ų1857.9 Ų57.99%0.08928%0.284CS..Hα-helixtrans-49-54.6176.1-69.9-41.8-7100113L25 E31 W32 R33 V515 S518 Y519 I522L25-M29 HydrophobicContact CD1-SD 3.72Å; L25-M29 HydrophobicContact CG-SD 3.99Å; L25-M29 WeakPolarHBondContact O-CG 3.32Å; L25-M29 PolarHBondContact O-N 3.02Å; M29-E31 VanDerWaalsContact C-N 3.31Å; M29-E31 PolarHBondContact O-N 3.17Å; M29-W32 HydrophobicContact SD-CE3 4.49Å; M29-R33 WeakPolarHBondContact O-CB 3.48Å; M29-R33 PolarHBondContact O-N 3.46Å; M29-V515 HydrophobicContact CG-CG1 4.46Å; M29-S518 VanDerWaalsContact CE-CB 3.48Å; M29-S518 VanDerWaalsContact CE-O 3.3Å; M29-S518 WeakPolarHBondContact CE-O 3.19Å; M29-Y519 VanDerWaalsContact CE-CA 3.44Å; M29-Y519 HydrophobicContact CE-CD2 4.45Å; M29-Y519 HydrophobicContact SD-CD2 4.27Å; M29-I522 HydrophobicContact CB-CD1 4.46Å; M29-I522 HydrophobicContact CE-CD1 3.38Å; M29-I522 HydrophobicContact CE-CG1 4.05Å; M29-I522 WeakPolarHBondContact O-CD1 3.03Å; M29-I522 HydrophobicContact SD-CD1 4.27Å
30E87.8Confident91.7Very high80 Ų8055.6 Ų55.637%0.37427%0.272SS..Hα-helixtrans-73.8-24.7-176.9179.552.7-157.200111.8K28 R33 R34K28-E30 PolarHBondContact O-N 3.38Å; E30-R33 VanDerWaalsContact CD-NH2 3.26Å; E30-R33 IonicContact OE1-CZ 2.78Å; E30-R33 IonicContact OE1-NE 2.71Å; E30-R33 IonicContact OE1-NH2 2.78Å; E30-R33 PolarHBondContact OE1-NH2 3.09Å; E30-R33 IonicContact OE2-CZ 3.86Å; E30-R33 VanDerWaalsContact OE2-CZ 3.27Å; E30-R33 IonicContact OE2-NE 3.67Å; E30-R33 PolarHBondContact OE2-NE 3.38Å; E30-R33 IonicContact OE2-NH2 3.24Å; E30-R33 PolarHBondContact OE2-NH2 2.99Å; E30-R34 WeakPolarHBondContact O-CB 3.36Å; E30-R34 VanDerWaalsContact O-CG 3.23Å; E30-R34 WeakPolarHBondContact O-CG 3.39Å; E30-R34 PolarHBondContact O-N 2.82Å; E30-R34 PolarHBondContact O-NE 3.47Å; E30-R34 WeakPolarHBondContact OE1-CD 3.36Å; E30-R34 WeakPolarHBondContact OE1-CG 2.9Å; E30-R34 IonicContact OE1-NE 3.26Å
31E92.2Very high91.7Very high62 Ų6260.6 Ų60.629%0.2929%0.286SS..Hα-helixtrans-65.9-57.5169.6-172.4179118.900111.8K28 M29 R33 R34 N35K28-E31 HydrophobicContact CD-CB 4.28Å; K28-E31 WeakPolarHBondContact CD-OE1 3.35Å; K28-E31 WeakPolarHBondContact CD-OE2 3.44Å; K28-E31 IonicContact NZ-OE1 3.67Å; K28-E31 PolarHBondContact NZ-OE1 3.4Å; K28-E31 IonicContact NZ-OE2 2.72Å; K28-E31 PolarHBondContact NZ-OE2 2.85Å; K28-E31 WeakPolarHBondContact O-CB 3.38Å; K28-E31 PolarHBondContact O-N 3.32Å; K28-E31 VanDerWaalsContact O-N 3.09Å; M29-E31 VanDerWaalsContact C-N 3.31Å; M29-E31 PolarHBondContact O-N 3.17Å; E31-R33 VanDerWaalsContact C-N 3.28Å; E31-R33 PolarHBondContact O-N 2.73Å; E31-R34 CarbonylContact O-C 3.6Å; E31-R34 WeakPolarHBondContact O-CA 3.46Å; E31-R34 WeakPolarHBondContact O-CB 3.34Å; E31-R34 PolarHBondContact O-N 3.1Å; E31-N35 PolarHBondContact O-N 3.14Å; E31-N35 PolarHBondContact O-OD1 3.21Å
32W93.2Very high91.8Very high4 Ų463 Ų632%0.01530%0.299CS..Hα-helixtrans-59.3-38.4-179.5-62.8-21.1000112.3L25 K28 M29 R34 N35 A36 Q111 L114 W118 Y519 I522 Y526L25-W32 HydrophobicContact CD1-CH2 4.15Å; L25-W32 HydrophobicContact CD1-CZ3 3.63Å; K28-W32 HydrophobicContact CB-CD2 4.06Å; K28-W32 HydrophobicContact CB-CE3 4.45Å; K28-W32 HydrophobicContact CB-CH2 4.43Å; K28-W32 HydrophobicContact CB-CZ2 3.99Å; K28-W32 PolarHBondContact O-N 3.36Å; M29-W32 HydrophobicContact SD-CE3 4.49Å; W32-R34 PolarHBondContact O-N 3.38Å; W32-N35 PolarHBondContact O-N 3.09Å; W32-A36 PolarHBondContact O-N 3.37Å; W32-Q111 HydrophobicContact CD2-CB 4.4Å; W32-Q111 HydrophobicContact CD2-CG 3.84Å; W32-Q111 HydrophobicContact CE3-CG 4.47Å; W32-Q111 HydrophobicContact CG-CG 4.01Å; W32-Q111 HydrophobicContact CH2-CB 4.22Å; W32-Q111 HydrophobicContact CZ2-CB 4.03Å; W32-Q111 HydrophobicContact CZ2-CG 3.99Å; W32-L114 HydrophobicContact CZ2-CB 4.27Å; W32-L114 HydrophobicContact CZ2-CD1 4.08Å; W32-W118 AromaticContact CH2-CH2 3.56Å; W32-W118 HydrophobicContact CH2-CH2 3.56Å; W32-W118 AromaticContact CH2-CZ3 3.44Å; W32-W118 HydrophobicContact CH2-CZ3 3.44Å; W32-W118 VanDerWaalsContact CH2-CZ3 3.44Å; W32-W118 AromaticContact CZ2-CH2 3.58Å; W32-W118 HydrophobicContact CZ2-CH2 3.58Å; W32-W118 AromaticContact CZ2-CZ3 3.97Å; W32-W118 HydrophobicContact CZ2-CZ3 3.97Å; W32-W118 HydrophobicContact CZ3-CZ3 4.29Å; W32-Y519 HydrophobicContact CE3-CE2 4.29Å; W32-Y519 HydrophobicContact CZ3-CD2 4.07Å; W32-Y519 AromaticContact CZ3-CE2 3.68Å; W32-Y519 HydrophobicContact CZ3-CE2 3.68Å; W32-I522 HydrophobicContact CB-CD1 4.12Å; W32-I522 HydrophobicContact CB-CG2 4.11Å; W32-Y526 HydrophobicContact CB-CE2 4.48Å; W32-Y526 PolarHBondContact O-OH 3.48Å; W32-Y526 VanDerWaalsContact O-OH 3.13Å
33R89.9Confident91.8Very high114 Ų11462.2 Ų62.243%0.4329%0.293SS..Hα-helixtrans-64-40174.4-164.4-168.76978.22.6112.4M29 E30 E31 V37 I522M29-R33 WeakPolarHBondContact O-CB 3.48Å; M29-R33 PolarHBondContact O-N 3.46Å; E30-R33 VanDerWaalsContact CD-NH2 3.26Å; E30-R33 IonicContact OE1-CZ 2.78Å; E30-R33 IonicContact OE1-NE 2.71Å; E30-R33 IonicContact OE1-NH2 2.78Å; E30-R33 PolarHBondContact OE1-NH2 3.09Å; E30-R33 IonicContact OE2-CZ 3.86Å; E30-R33 VanDerWaalsContact OE2-CZ 3.27Å; E30-R33 IonicContact OE2-NE 3.67Å; E30-R33 PolarHBondContact OE2-NE 3.38Å; E30-R33 IonicContact OE2-NH2 3.24Å; E30-R33 PolarHBondContact OE2-NH2 2.99Å; E31-R33 VanDerWaalsContact C-N 3.28Å; E31-R33 PolarHBondContact O-N 2.73Å; R33-V37 WeakPolarHBondContact O-CG2 3.42Å; R33-V37 PolarHBondContact O-N 2.97Å; R33-I522 HydrophobicContact CB-CD1 3.87Å; R33-I522 HydrophobicContact CB-CG1 4.16Å; R33-I522 HydrophobicContact CG-CG1 4.48Å
34R92.5Very high91.8Very high136 Ų13660.8 Ų60.851%0.51328%0.28SS..Hα-helixtrans-68.7-41.7174.9-76.7175-65.9166.1-1.2111.2E30 E31 W32 V37 Q38E30-R34 WeakPolarHBondContact O-CB 3.36Å; E30-R34 VanDerWaalsContact O-CG 3.23Å; E30-R34 WeakPolarHBondContact O-CG 3.39Å; E30-R34 PolarHBondContact O-N 2.82Å; E30-R34 PolarHBondContact O-NE 3.47Å; E30-R34 WeakPolarHBondContact OE1-CD 3.36Å; E30-R34 WeakPolarHBondContact OE1-CG 2.9Å; E30-R34 IonicContact OE1-NE 3.26Å; E31-R34 CarbonylContact O-C 3.6Å; E31-R34 WeakPolarHBondContact O-CA 3.46Å; E31-R34 WeakPolarHBondContact O-CB 3.34Å; E31-R34 PolarHBondContact O-N 3.1Å; W32-R34 PolarHBondContact O-N 3.38Å; R34-V37 PolarHBondContact O-N 3.07Å; R34-Q38 VanDerWaalsContact O-CB 3.27Å; R34-Q38 WeakPolarHBondContact O-CB 3.19Å; R34-Q38 PolarHBondContact O-N 3.13Å
35N92.8Very high91.9Very high54 Ų5464.6 Ų64.629%0.28929%0.294SS..Hα-helixtrans-57.7-51.9176.5-70.83.7000111.2E31 W32 V37 Q38 M39 E107 Y526E31-N35 PolarHBondContact O-N 3.14Å; E31-N35 PolarHBondContact O-OD1 3.21Å; W32-N35 PolarHBondContact O-N 3.09Å; N35-V37 PolarHBondContact O-N 3.04Å; N35-Q38 PolarHBondContact O-N 3.08Å; N35-Q38 VanDerWaalsContact O-N 3.15Å; N35-M39 WeakPolarHBondContact O-CB 3.44Å; N35-M39 VanDerWaalsContact O-CG 3.32Å; N35-M39 WeakPolarHBondContact O-CG 3.48Å; N35-M39 PolarHBondContact O-N 2.89Å; N35-E107 PolarHBondContact ND2-OE1 3.45Å; N35-Y526 WeakPolarHBondContact CB-OH 3.36Å
36A90.4Very high92Very high0 Ų066.7 Ų66.70%030%0.303CS..Hα-helixtrans-55.7-48.5179.100000112.7W32 Q38 M39 D40 T525 Y526W32-A36 PolarHBondContact O-N 3.37Å; A36-Q38 VanDerWaalsContact C-N 3.34Å; A36-Q38 PolarHBondContact O-N 3.43Å; A36-M39 PolarHBondContact O-N 2.85Å; A36-D40 PolarHBondContact O-N 3.05Å; A36-T525 HydrophobicContact CB-CG2 3.77Å; A36-Y526 HydrophobicContact CB-CD1 4.45Å; A36-Y526 HydrophobicContact CB-CD2 4.07Å; A36-Y526 HydrophobicContact CB-CE1 4.05Å; A36-Y526 HydrophobicContact CB-CE2 3.61Å; A36-Y526 HydrophobicContact CB-CG 4.46Å; A36-Y526 PolarHBondContact N-OH 3.45Å
37V91.6Very high92.1Very high45 Ų4563.1 Ų63.127%0.27329%0.286SS..Hα-helixtrans-67.2-35.4179.3171.20000111.6R33 R34 N35 R41R33-V37 WeakPolarHBondContact O-CG2 3.42Å; R33-V37 PolarHBondContact O-N 2.97Å; R34-V37 PolarHBondContact O-N 3.07Å; N35-V37 PolarHBondContact O-N 3.04Å; V37-R41 VanDerWaalsContact CG1-CZ 3.42Å; V37-R41 WeakPolarHBondContact O-CB 3.42Å; V37-R41 VanDerWaalsContact O-CD 3.31Å; V37-R41 WeakPolarHBondContact O-CD 3.45Å; V37-R41 WeakPolarHBondContact O-CG 3.45Å; V37-R41 PolarHBondContact O-N 2.92Å; V37-R41 VanDerWaalsContact O-N 3.11Å
38Q93.4Very high92.3Very high82 Ų8263.4 Ų63.438%0.38329%0.285SS..Hα-helixtrans-69-40.3175.9-17263.72000111.4R34 N35 A36 R41 D42R34-Q38 VanDerWaalsContact O-CB 3.27Å; R34-Q38 WeakPolarHBondContact O-CB 3.19Å; R34-Q38 PolarHBondContact O-N 3.13Å; N35-Q38 PolarHBondContact O-N 3.08Å; N35-Q38 VanDerWaalsContact O-N 3.15Å; A36-Q38 VanDerWaalsContact C-N 3.34Å; A36-Q38 PolarHBondContact O-N 3.43Å; Q38-R41 WeakPolarHBondContact O-CB 3.1Å; Q38-R41 PolarHBondContact O-N 3.14Å; Q38-D42 VanDerWaalsContact NE2-CG 3.35Å; Q38-D42 PolarHBondContact NE2-OD1 3.03Å; Q38-D42 PolarHBondContact NE2-OD2 3.24Å; Q38-D42 WeakPolarHBondContact O-CB 3.49Å; Q38-D42 PolarHBondContact O-N 2.89Å
39M91.6Very high92.5Very high35 Ų3568.3 Ų68.317%0.17230%0.302CS..Hα-helixtrans-62.9-47.4178.3-74177.458.500112.8N35 A36 R41 D42 H43 H103 A104 E107 Y526N35-M39 WeakPolarHBondContact O-CB 3.44Å; N35-M39 VanDerWaalsContact O-CG 3.32Å; N35-M39 WeakPolarHBondContact O-CG 3.48Å; N35-M39 PolarHBondContact O-N 2.89Å; A36-M39 PolarHBondContact O-N 2.85Å; M39-R41 VanDerWaalsContact C-N 3.35Å; M39-D42 PolarHBondContact O-N 2.72Å; M39-H43 VanDerWaalsContact O-CB 3.24Å; M39-H43 WeakPolarHBondContact O-CB 3.35Å; M39-H43 PolarHBondContact O-N 3.06Å; M39-H103 HydrophobicContact CE-CB 4.39Å; M39-H103 WeakPolarHBondContact CE-ND1 3.35Å; M39-A104 HydrophobicContact CE-CB 3.88Å; M39-E107 HydrophobicContact SD-CB 4.32Å; M39-E107 HydrophobicContact SD-CG 4.16Å; M39-Y526 HydrophobicContact SD-CE1 4.42Å
40D91.2Very high92.8Very high57 Ų5768.2 Ų68.231%0.30530%0.303SS..Hα-helixtrans-63.8-40.9172.3170.659.1000111.4A36 D42 S44 V529 R536A36-D40 PolarHBondContact O-N 3.05Å; D40-D42 PolarHBondContact O-N 3.39Å; D40-S44 WeakPolarHBondContact O-CA 3.4Å; D40-S44 WeakPolarHBondContact O-CB 3.42Å; D40-S44 PolarHBondContact O-N 3.02Å; D40-S44 PolarHBondContact O-OG 3.26Å; D40-S44 VanDerWaalsContact O-OG 3.08Å; D40-S44 PolarHBondContact OD1-OG 2.95Å; D40-V529 HydrophobicContact CB-CG2 4.18Å; D40-R536 IonicContact OD1-NH2 2.82Å
41R94.3Very high93.1Very high140 Ų14070.7 Ų70.753%0.52831%0.309SS..Hα-helixtrans-59-45.6178.3-78.7168.9177.3177-0.3112.1V37 Q38 M39 K45V37-R41 VanDerWaalsContact CG1-CZ 3.42Å; V37-R41 WeakPolarHBondContact O-CB 3.42Å; V37-R41 VanDerWaalsContact O-CD 3.31Å; V37-R41 WeakPolarHBondContact O-CD 3.45Å; V37-R41 WeakPolarHBondContact O-CG 3.45Å; V37-R41 PolarHBondContact O-N 2.92Å; V37-R41 VanDerWaalsContact O-N 3.11Å; Q38-R41 WeakPolarHBondContact O-CB 3.1Å; Q38-R41 PolarHBondContact O-N 3.14Å; M39-R41 VanDerWaalsContact C-N 3.35Å; R41-K45 WeakPolarHBondContact O-CB 3.45Å; R41-K45 WeakPolarHBondContact O-CD 3.44Å; R41-K45 WeakPolarHBondContact O-CG 3.43Å; R41-K45 PolarHBondContact O-N 3.48Å
42D94.1Very high93.2Very high69 Ų6969 Ų6937%0.36931%0.308SS..Hα-helixtrans-76.7-39-177.2-71.6-21000112.1Q38 M39 D40 K45 E46Q38-D42 VanDerWaalsContact NE2-CG 3.35Å; Q38-D42 PolarHBondContact NE2-OD1 3.03Å; Q38-D42 PolarHBondContact NE2-OD2 3.24Å; Q38-D42 WeakPolarHBondContact O-CB 3.49Å; Q38-D42 PolarHBondContact O-N 2.89Å; M39-D42 PolarHBondContact O-N 2.72Å; D40-D42 PolarHBondContact O-N 3.39Å; D42-K45 PolarHBondContact O-N 3.21Å; D42-K45 WeakPolarHBondContact OD1-CD 3.28Å; D42-K45 WeakPolarHBondContact OD1-CE 3.49Å; D42-K45 IonicContact OD1-NZ 3.71Å; D42-K45 PolarHBondContact OD1-NZ 3.02Å; D42-E46 PolarHBondContact O-N 3.4Å
43H92.6Very high93.3Very high17 Ų1770.4 Ų70.48%0.07931%0.314CS..Hα-helixtrans-58.3-50.2168.5-177.4-102.1000111.7M39 K45 E46 Y47 E97 A100 L533 R536M39-H43 VanDerWaalsContact O-CB 3.24Å; M39-H43 WeakPolarHBondContact O-CB 3.35Å; M39-H43 PolarHBondContact O-N 3.06Å; H43-K45 VanDerWaalsContact C-N 3.25Å; H43-K45 PolarHBondContact O-N 3.47Å; H43-E46 PolarHBondContact O-N 3.02Å; H43-E46 VanDerWaalsContact O-N 3.17Å; H43-Y47 AromaticContact NE2-CD2 3.7Å; H43-Y47 WeakPolarHBondContact O-CB 3.39Å; H43-Y47 PolarHBondContact O-N 2.95Å; H43-E97 IonicContact NE2-OE1 2.72Å; H43-E97 IonicContact NE2-OE2 2.68Å; H43-E97 PolarHBondContact NE2-OE2 3.29Å; H43-A100 VanDerWaalsContact CD2-CB 3.43Å; H43-A100 WeakPolarHBondContact CD2-CB 3.39Å; H43-L533 HydrophobicContact CB-CD2 4.18Å; H43-L533 VanDerWaalsContact CE1-CD2 3.41Å; H43-L533 WeakPolarHBondContact CE1-CD2 3.36Å; H43-L533 VanDerWaalsContact ND1-CD2 3.25Å; H43-L533 WeakPolarHBondContact ND1-CD2 3.11Å; H43-R536 PolarHBondContact CE1-NH1 2.66Å; H43-R536 PolarHBondContact ND1-NH1 2.83Å; H43-R536 WeakPolarHBondContact NE2-CD 3.29Å; H43-R536 PolarHBondContact NE2-NH1 2.82Å
44S93.1Very high93.6Very high17 Ų1765.8 Ų65.812%0.11930%0.298CS..Hα-helixtrans-69.7-17.9-179.1-69.20000113.3D40 K48 R536D40-S44 WeakPolarHBondContact O-CA 3.4Å; D40-S44 WeakPolarHBondContact O-CB 3.42Å; D40-S44 PolarHBondContact O-N 3.02Å; D40-S44 PolarHBondContact O-OG 3.26Å; D40-S44 VanDerWaalsContact O-OG 3.08Å; D40-S44 PolarHBondContact OD1-OG 2.95Å; S44-K48 WeakPolarHBondContact O-CD 3.38Å; S44-K48 WeakPolarHBondContact O-CE 3.48Å; S44-K48 WeakPolarHBondContact O-CG 3.45Å; S44-R536 PolarHBondContact OG-NH1 2.87Å; S44-R536 PolarHBondContact OG-NH2 3Å
45K95.3Very high93.8Very high107 Ų10767.1 Ų67.147%0.46531%0.307SS..Hα-helixtrans-75-52.3164.6-74163.5-155.9165.90110.9R41 D42 H43 K48 R49R41-K45 WeakPolarHBondContact O-CB 3.45Å; R41-K45 WeakPolarHBondContact O-CD 3.44Å; R41-K45 WeakPolarHBondContact O-CG 3.43Å; R41-K45 PolarHBondContact O-N 3.48Å; D42-K45 PolarHBondContact O-N 3.21Å; D42-K45 WeakPolarHBondContact OD1-CD 3.28Å; D42-K45 WeakPolarHBondContact OD1-CE 3.49Å; D42-K45 IonicContact OD1-NZ 3.71Å; D42-K45 PolarHBondContact OD1-NZ 3.02Å; H43-K45 VanDerWaalsContact C-N 3.25Å; H43-K45 PolarHBondContact O-N 3.47Å; K45-K48 PolarHBondContact O-N 3.35Å; K45-R49 PolarHBondContact O-N 3.46Å
46E93.8Very high93.9Very high56 Ų5671.6 Ų71.626%0.26232%0.32SS..Hα-helixtrans-69.6-43.3-174-173.947.1-122.300112.3D42 H43 K48 R49 S50D42-E46 PolarHBondContact O-N 3.4Å; H43-E46 PolarHBondContact O-N 3.02Å; H43-E46 VanDerWaalsContact O-N 3.17Å; E46-K48 PolarHBondContact O-N 3.23Å; E46-R49 CarbonylContact O-C 3.58Å; E46-R49 WeakPolarHBondContact O-CA 3.27Å; E46-R49 WeakPolarHBondContact O-CB 3.33Å; E46-R49 PolarHBondContact O-N 3.05Å; E46-R49 WeakPolarHBondContact OE2-CD 3.41Å; E46-R49 IonicContact OE2-CZ 3.85Å; E46-R49 IonicContact OE2-NE 2.98Å; E46-R49 IonicContact OE2-NH1 3.27Å; E46-R49 PolarHBondContact OE2-NH1 3.15Å; E46-S50 WeakPolarHBondContact O-CB 3.35Å; E46-S50 PolarHBondContact O-N 3.34Å; E46-S50 WeakPolarHBondContact OE1-CB 3.44Å; E46-S50 PolarHBondContact OE1-OG 2.96Å
47Y93.3Very high94.2Very high34 Ų3474.6 Ų74.613%0.13333%0.332CS..Hα-helixtrans-50.3-43.2171.4-177.6-97.1000112.2H43 R51 L93 E97 R536H43-Y47 AromaticContact NE2-CD2 3.7Å; H43-Y47 WeakPolarHBondContact O-CB 3.39Å; H43-Y47 PolarHBondContact O-N 2.95Å; Y47-R51 VanDerWaalsContact CE1-CD 3.41Å; Y47-R51 HydrophobicContact CE1-CG 4.42Å; Y47-R51 VanDerWaalsContact O-CB 3.25Å; Y47-R51 WeakPolarHBondContact O-CB 3.43Å; Y47-R51 WeakPolarHBondContact O-CG 3.28Å; Y47-R51 PolarHBondContact O-N 2.88Å; Y47-R51 PolarHBondContact OH-NH1 2.91Å; Y47-L93 HydrophobicContact CD2-CD1 4.22Å; Y47-E97 VanDerWaalsContact CD2-OE1 3.28Å; Y47-E97 WeakPolarHBondContact CD2-OE1 3.33Å; Y47-R536 HydrophobicContact CE2-CB 4.17Å; Y47-R536 HydrophobicContact CE2-CG 4.37Å
48K95.4Very high94.4Very high151 Ų15177 Ų7766%0.65734%0.336SS*.Hα-helixtrans-70-41.2176.2-70.7173.7-165.7170.10112S44 K45 E46 G52S44-K48 WeakPolarHBondContact O-CD 3.38Å; S44-K48 WeakPolarHBondContact O-CE 3.48Å; S44-K48 WeakPolarHBondContact O-CG 3.45Å; K45-K48 PolarHBondContact O-N 3.35Å; E46-K48 PolarHBondContact O-N 3.23Å; K48-G52 PolarHBondContact O-N 2.71Å
49R95.9Very high94.5Very high157 Ų15778 Ų7859%0.59234%0.341SS*.Hα-helixtrans-61.4-55.7176.4-179.1-177.9-68.7110-4.9111K45 E46 G52 E53K45-R49 PolarHBondContact O-N 3.46Å; E46-R49 CarbonylContact O-C 3.58Å; E46-R49 WeakPolarHBondContact O-CA 3.27Å; E46-R49 WeakPolarHBondContact O-CB 3.33Å; E46-R49 PolarHBondContact O-N 3.05Å; E46-R49 WeakPolarHBondContact OE2-CD 3.41Å; E46-R49 IonicContact OE2-CZ 3.85Å; E46-R49 IonicContact OE2-NE 2.98Å; E46-R49 IonicContact OE2-NH1 3.27Å; E46-R49 PolarHBondContact OE2-NH1 3.15Å; R49-G52 WeakPolarHBondContact O-CA 3.1Å; R49-G52 PolarHBondContact O-N 2.78Å; R49-G52 VanDerWaalsContact O-N 3.13Å; R49-E53 PolarHBondContact O-N 3.48Å
50S94.3Very high94.7Very high15 Ų1579.1 Ų79.111%0.10535%0.347CS..Hα-helixtrans-63.9-42.5-179.3-81.80000112.8E46 G52 E53 I54E46-S50 WeakPolarHBondContact O-CB 3.35Å; E46-S50 PolarHBondContact O-N 3.34Å; E46-S50 WeakPolarHBondContact OE1-CB 3.44Å; E46-S50 PolarHBondContact OE1-OG 2.96Å; S50-G52 VanDerWaalsContact C-N 3.31Å; S50-G52 PolarHBondContact O-N 2.96Å; S50-E53 PolarHBondContact O-N 2.72Å; S50-I54 WeakPolarHBondContact O-CG1 3.47Å; S50-I54 PolarHBondContact O-N 3.48Å
51R93.7Very high94.9Very high133 Ų13376.5 Ų76.550%0.50233%0.333SS..Hα-helixtrans-64.2-34.2171-74.9-169.468172.40.3113Y47 K55 L93Y47-R51 VanDerWaalsContact CE1-CD 3.41Å; Y47-R51 HydrophobicContact CE1-CG 4.42Å; Y47-R51 VanDerWaalsContact O-CB 3.25Å; Y47-R51 WeakPolarHBondContact O-CB 3.43Å; Y47-R51 WeakPolarHBondContact O-CG 3.28Å; Y47-R51 PolarHBondContact O-N 2.88Å; Y47-R51 PolarHBondContact OH-NH1 2.91Å; R51-K55 WeakPolarHBondContact O-CB 3.41Å; R51-K55 PolarHBondContact O-N 3.1Å; R51-L93 HydrophobicContact CG-CD2 3.72Å
52G95.4Very high94.9Very high26 Ų2670.4 Ų70.427%0.26831%0.313SS..Hα-helixtrans-61-45.717300000112K48 R49 S50 K55 R56K48-G52 PolarHBondContact O-N 2.71Å; R49-G52 WeakPolarHBondContact O-CA 3.1Å; R49-G52 PolarHBondContact O-N 2.78Å; R49-G52 VanDerWaalsContact O-N 3.13Å; S50-G52 VanDerWaalsContact C-N 3.31Å; S50-G52 PolarHBondContact O-N 2.96Å; G52-K55 PolarHBondContact O-N 3.37Å; G52-R56 WeakPolarHBondContact O-CG 3.35Å; G52-R56 PolarHBondContact O-N 3.23Å; G52-R56 VanDerWaalsContact O-N 3.08Å
53E95.8Very high95Very high33 Ų3373.7 Ų73.715%0.15432%0.32CS..Hα-helixtrans-68.2-44.7178.4-171.261.1-170.100112.4R49 S50 K55 R56 R57 R89R49-E53 PolarHBondContact O-N 3.48Å; S50-E53 PolarHBondContact O-N 2.72Å; E53-K55 PolarHBondContact O-N 3.13Å; E53-R56 WeakPolarHBondContact O-CB 3.41Å; E53-R56 PolarHBondContact O-N 3.03Å; E53-R56 IonicContact OE2-CZ 2.66Å; E53-R56 IonicContact OE2-NH1 3.82Å; E53-R56 PolarHBondContact OE2-NH1 2.97Å; E53-R57 WeakPolarHBondContact O-CG 3.13Å; E53-R57 PolarHBondContact O-N 2.76Å; E53-R57 IonicContact OE1-CZ 3.63Å; E53-R57 VanDerWaalsContact OE1-CZ 3.26Å; E53-R57 IonicContact OE1-NE 3.17Å; E53-R57 PolarHBondContact OE1-NE 3.02Å; E53-R57 IonicContact OE1-NH2 3.63Å; E53-R57 PolarHBondContact OE1-NH2 2.78Å; E53-R89 HydrophobicContact CG-CG 4.49Å
54I95.3Very high95.1Very high17 Ų1774.4 Ų74.49%0.08732%0.324CS..Hα-helixtrans-55-41.8172.6-66.9165.2000110.5S50 R57 R58 R89 L93S50-I54 WeakPolarHBondContact O-CG1 3.47Å; S50-I54 PolarHBondContact O-N 3.48Å; I54-R57 PolarHBondContact O-N 3.24Å; I54-R58 HydrophobicContact CG2-CG 4.27Å; I54-R58 WeakPolarHBondContact O-CB 3.39Å; I54-R58 VanDerWaalsContact O-CG 3.27Å; I54-R58 WeakPolarHBondContact O-CG 3.42Å; I54-R58 PolarHBondContact O-N 2.91Å; I54-R89 HydrophobicContact CG1-CB 3.61Å; I54-L93 HydrophobicContact CD1-CB 3.99Å; I54-L93 HydrophobicContact CD1-CD2 3.53Å; I54-L93 HydrophobicContact CD1-CG 4.43Å
55K96Very high95.2Very high164 Ų16475.2 Ų75.271%0.71333%0.326SS*.Hα-helixtrans-64.9-37.4177.4-173178.2178.4-178.20112.7R51 G52 E53 H59R51-K55 WeakPolarHBondContact O-CB 3.41Å; R51-K55 PolarHBondContact O-N 3.1Å; G52-K55 PolarHBondContact O-N 3.37Å; E53-K55 PolarHBondContact O-N 3.13Å; K55-H59 WeakPolarHBondContact O-CB 3.49Å; K55-H59 PolarHBondContact O-N 3.35Å; K55-H59 VanDerWaalsContact O-N 3.15Å
56R96.4Very high95.1Very high148 Ų14872.3 Ų72.356%0.55831%0.313SS*.Hα-helixtrans-64.1-53.7173.5-66.7179.9-165.8114.90.9110.9G52 E53 R58 H59 D60G52-R56 WeakPolarHBondContact O-CG 3.35Å; G52-R56 PolarHBondContact O-N 3.23Å; G52-R56 VanDerWaalsContact O-N 3.08Å; E53-R56 WeakPolarHBondContact O-CB 3.41Å; E53-R56 PolarHBondContact O-N 3.03Å; E53-R56 IonicContact OE2-CZ 2.66Å; E53-R56 IonicContact OE2-NH1 3.82Å; E53-R56 PolarHBondContact OE2-NH1 2.97Å; R56-R58 VanDerWaalsContact C-N 3.34Å; R56-R58 PolarHBondContact O-N 3.38Å; R56-H59 WeakPolarHBondContact O-CA 3.35Å; R56-H59 WeakPolarHBondContact O-CB 3.39Å; R56-H59 PolarHBondContact O-N 3.2Å; R56-D60 PolarHBondContact O-N 2.92Å
57R95.5Very high95.2Very high64 Ų6474.6 Ų74.624%0.24232%0.323CS..Hα-helixtrans-59.4-42.6-179.3-58.3-59.2172.31491.8112.2E53 I54 H59 D60 A61 E85 V86E53-R57 WeakPolarHBondContact O-CG 3.13Å; E53-R57 PolarHBondContact O-N 2.76Å; E53-R57 IonicContact OE1-CZ 3.63Å; E53-R57 VanDerWaalsContact OE1-CZ 3.26Å; E53-R57 IonicContact OE1-NE 3.17Å; E53-R57 PolarHBondContact OE1-NE 3.02Å; E53-R57 IonicContact OE1-NH2 3.63Å; E53-R57 PolarHBondContact OE1-NH2 2.78Å; I54-R57 PolarHBondContact O-N 3.24Å; R57-H59 VanDerWaalsContact C-N 3.29Å; R57-H59 PolarHBondContact O-N 3.48Å; R57-D60 PolarHBondContact O-N 3.45Å; R57-A61 WeakPolarHBondContact O-CB 3.45Å; R57-A61 PolarHBondContact O-N 2.95Å; R57-E85 WeakPolarHBondContact CD-OE2 3.46Å; R57-E85 HydrophobicContact CG-CB 4.49Å; R57-E85 IonicContact CZ-OE1 2.72Å; R57-E85 IonicContact CZ-OE2 2.83Å; R57-E85 IonicContact NE-OE2 3.54Å; R57-E85 IonicContact NH1-OE1 3.87Å; R57-E85 PolarHBondContact NH1-OE1 3.22Å; R57-E85 IonicContact NH1-OE2 2.97Å; R57-E85 PolarHBondContact NH1-OE2 3.47Å; R57-V86 VanDerWaalsContact C-CG2 3.45Å; R57-V86 HydrophobicContact CB-CG2 3.6Å
58R95.3Very high95.2Very high94 Ų9475 Ų7536%0.35533%0.329SS..Hα-helixtrans-59.1-37.3172.6-75.1179.1-177.8-146.3-4.3112.7I54 R56 A62 V86 E547I54-R58 HydrophobicContact CG2-CG 4.27Å; I54-R58 WeakPolarHBondContact O-CB 3.39Å; I54-R58 VanDerWaalsContact O-CG 3.27Å; I54-R58 WeakPolarHBondContact O-CG 3.42Å; I54-R58 PolarHBondContact O-N 2.91Å; R56-R58 VanDerWaalsContact C-N 3.34Å; R56-R58 PolarHBondContact O-N 3.38Å; R58-A62 WeakPolarHBondContact O-CB 3.37Å; R58-A62 PolarHBondContact O-N 3.02Å; R58-A62 VanDerWaalsContact O-N 3.09Å; R58-V86 HydrophobicContact CB-CG2 4.4Å; R58-V86 HydrophobicContact CG-CB 4.38Å; R58-V86 HydrophobicContact CG-CG1 3.57Å; R58-V86 HydrophobicContact CG-CG2 3.77Å; R58-E547 IonicContact CZ-OE1 3.64Å; R58-E547 IonicContact CZ-OE2 3.57Å; R58-E547 IonicContact NH1-OE1 3.89Å; R58-E547 PolarHBondContact NH1-OE1 3.24Å; R58-E547 IonicContact NH2-OE1 2.66Å; R58-E547 PolarHBondContact NH2-OE1 2.99Å; R58-E547 IonicContact NH2-OE2 2.65Å; R58-E547 PolarHBondContact NH2-OE2 3.04Å
59H96.1Very high95Very high105 Ų10576.3 Ų76.349%0.48633%0.329SS..Hα-helixtrans-71.5-37.5176.7170.6-100.9000113.1K55 R56 R57 A62 R63K55-H59 WeakPolarHBondContact O-CB 3.49Å; K55-H59 PolarHBondContact O-N 3.35Å; K55-H59 VanDerWaalsContact O-N 3.15Å; R56-H59 WeakPolarHBondContact O-CA 3.35Å; R56-H59 WeakPolarHBondContact O-CB 3.39Å; R56-H59 PolarHBondContact O-N 3.2Å; R57-H59 VanDerWaalsContact C-N 3.29Å; R57-H59 PolarHBondContact O-N 3.48Å; H59-A62 CarbonylContact O-C 3.32Å; H59-A62 VanDerWaalsContact O-C 3.32Å; H59-A62 WeakPolarHBondContact O-CA 3.49Å; H59-A62 WeakPolarHBondContact O-CB 3.42Å; H59-A62 PolarHBondContact O-N 3.41Å; H59-R63 VanDerWaalsContact CE1-CD 3.41Å; H59-R63 WeakPolarHBondContact CE1-CD 3.24Å; H59-R63 WeakPolarHBondContact O-CG 3.27Å; H59-R63 PolarHBondContact O-N 3.08Å
60D95.4Very high94.9Very high58 Ų5877.6 Ų77.631%0.3134%0.339SS..Hα-helixtrans-80.5-36.9-178.9-68.6-47.4000112.8R56 R57 A62 R63 L64R56-D60 PolarHBondContact O-N 2.92Å; R57-D60 PolarHBondContact O-N 3.45Å; D60-A62 VanDerWaalsContact C-N 3.26Å; D60-A62 PolarHBondContact O-N 3.26Å; D60-R63 WeakPolarHBondContact O-CA 3.32Å; D60-R63 WeakPolarHBondContact O-CB 3.38Å; D60-R63 PolarHBondContact O-N 3.27Å; D60-R63 WeakPolarHBondContact OD1-CD 3.48Å; D60-R63 IonicContact OD1-CZ 2.73Å; D60-R63 IonicContact OD1-NE 2.71Å; D60-R63 IonicContact OD1-NH1 2.7Å; D60-R63 PolarHBondContact OD1-NH1 3.12Å; D60-L64 WeakPolarHBondContact O-CG 3.48Å; D60-L64 PolarHBondContact O-N 2.9Å; D60-L64 VanDerWaalsContact O-N 3.07Å
61A95.7Very high94.6Very high1 Ų179.6 Ų79.61%0.00836%0.362CS..Hα-helixtrans-54.1-45.3161.700000110.8R57 R63 L64 Q65 L79 A82R57-A61 WeakPolarHBondContact O-CB 3.45Å; R57-A61 PolarHBondContact O-N 2.95Å; A61-R63 PolarHBondContact O-N 3.32Å; A61-R63 VanDerWaalsContact O-N 3.13Å; A61-L64 PolarHBondContact O-N 2.91Å; A61-Q65 PolarHBondContact O-N 2.64Å; A61-L79 HydrophobicContact CB-CD1 4.48Å; A61-A82 HydrophobicContact CB-CB 3.89Å
62A95.4Very high94.2Very high13 Ų1377.8 Ų77.811%0.10736%0.359CS..Hα-helixtrans-68.9-2.5172.900000115R58 H59 D60 K66 P456 G457 S458R58-A62 WeakPolarHBondContact O-CB 3.37Å; R58-A62 PolarHBondContact O-N 3.02Å; R58-A62 VanDerWaalsContact O-N 3.09Å; H59-A62 CarbonylContact O-C 3.32Å; H59-A62 VanDerWaalsContact O-C 3.32Å; H59-A62 WeakPolarHBondContact O-CA 3.49Å; H59-A62 WeakPolarHBondContact O-CB 3.42Å; H59-A62 PolarHBondContact O-N 3.41Å; D60-A62 VanDerWaalsContact C-N 3.26Å; D60-A62 PolarHBondContact O-N 3.26Å; A62-K66 WeakPolarHBondContact O-CD 3.49Å; A62-K66 WeakPolarHBondContact O-CE 3.49Å; A62-K66 WeakPolarHBondContact O-CG 3.5Å; A62-K66 PolarHBondContact O-NZ 3.05Å; A62-P456 WeakPolarHBondContact CA-O 3.43Å; A62-P456 WeakPolarHBondContact CB-O 3.49Å; A62-P456 PolarHBondContact N-O 2.83Å; A62-G457 CarbonylContact O-C 3.6Å; A62-S458 PolarHBondContact O-N 3.06Å
63R94.9Very high93.8Very high138 Ų13881 Ų8152%0.52138%0.377SS..Hα-helixtrans-96.6-26.1165.2-74.5166.570.3-151.89.3112H59 D60 A61H59-R63 VanDerWaalsContact CE1-CD 3.41Å; H59-R63 WeakPolarHBondContact CE1-CD 3.24Å; H59-R63 WeakPolarHBondContact O-CG 3.27Å; H59-R63 PolarHBondContact O-N 3.08Å; D60-R63 WeakPolarHBondContact O-CA 3.32Å; D60-R63 WeakPolarHBondContact O-CB 3.38Å; D60-R63 PolarHBondContact O-N 3.27Å; D60-R63 WeakPolarHBondContact OD1-CD 3.48Å; D60-R63 IonicContact OD1-CZ 2.73Å; D60-R63 IonicContact OD1-NE 2.71Å; D60-R63 IonicContact OD1-NH1 2.7Å; D60-R63 PolarHBondContact OD1-NH1 3.12Å; A61-R63 PolarHBondContact O-N 3.32Å; A61-R63 VanDerWaalsContact O-N 3.13Å
64L95.2Very high93.5Very high32 Ų3283.9 Ų83.917%0.16840%0.4CS..Hα-helixtrans-82.9-41.4-178.7-63.7161.1000111.7D60 A61 K66 K67 V68 V75 M78 L79 A82D60-L64 WeakPolarHBondContact O-CG 3.48Å; D60-L64 PolarHBondContact O-N 2.9Å; D60-L64 VanDerWaalsContact O-N 3.07Å; A61-L64 PolarHBondContact O-N 2.91Å; L64-K66 PolarHBondContact O-N 2.73Å; L64-K67 WeakPolarHBondContact O-CB 3.49Å; L64-K67 PolarHBondContact O-N 2.95Å; L64-V68 PolarHBondContact O-N 2.86Å; L64-V68 VanDerWaalsContact O-N 3.08Å; L64-V75 HydrophobicContact CB-CG1 4.14Å; L64-V75 HydrophobicContact CD2-CG1 3.56Å; L64-V75 HydrophobicContact CG-CG1 4.48Å; L64-M78 HydrophobicContact CD1-CB 4.33Å; L64-M78 WeakPolarHBondContact CD1-O 3.45Å; L64-M78 HydrophobicContact CD2-CB 4.05Å; L64-L79 HydrophobicContact CB-CB 3.96Å; L64-L79 HydrophobicContact CB-CD1 4.19Å; L64-A82 HydrophobicContact CD1-CB 3.62Å
65Q94.1Very high93.3Very high33 Ų3383.2 Ų83.215%0.15440%0.397CS..Hα-helixtrans-63-26.7174.6172.9175114.500112.6A61 R69 L79 G457A61-Q65 PolarHBondContact O-N 2.64Å; Q65-R69 HydrophobicContact CG-CG 4.34Å; Q65-R69 WeakPolarHBondContact O-CB 3.16Å; Q65-R69 VanDerWaalsContact O-CG 3.28Å; Q65-R69 WeakPolarHBondContact O-CG 3.32Å; Q65-R69 PolarHBondContact O-N 2.77Å; Q65-R69 VanDerWaalsContact OE1-NH2 3.12Å; Q65-L79 HydrophobicContact CB-CD1 3.76Å; Q65-L79 HydrophobicContact CB-CD2 3.74Å; Q65-L79 HydrophobicContact CB-CG 4.4Å; Q65-L79 HydrophobicContact CG-CD2 4.35Å; Q65-G457 CarbonylContact C-O 3.59Å; Q65-G457 WeakPolarHBondContact CB-O 3.33Å; Q65-G457 VanDerWaalsContact CD-N 3.33Å; Q65-G457 WeakPolarHBondContact CG-O 3.35Å
66K94.8Very high93.1Very high46 Ų4681 Ų8120%0.239%0.387CS..Hα-helixtrans-60.5-42.5167.9-63.1170.7-174.5140.20112.9A62 L64 K70 G457 F459A62-K66 WeakPolarHBondContact O-CD 3.49Å; A62-K66 WeakPolarHBondContact O-CE 3.49Å; A62-K66 WeakPolarHBondContact O-CG 3.5Å; A62-K66 PolarHBondContact O-NZ 3.05Å; L64-K66 PolarHBondContact O-N 2.73Å; K66-K70 WeakPolarHBondContact O-CG 3.26Å; K66-K70 PolarHBondContact O-N 3.04Å; K66-G457 PolarHBondContact N-O 2.83Å; K66-F459 HydrophobicContact CD-CB 4.47Å
67K94.4Very high93Very high105 Ų10580.7 Ų80.746%0.45740%0.396SS..Hα-helixtrans-70.3-43.2-178.8-69.4-173.6173.1-169.50110.5L64 K70 H72 V75L64-K67 WeakPolarHBondContact O-CB 3.49Å; L64-K67 PolarHBondContact O-N 2.95Å; K67-K70 CarbonylContact O-C 3.58Å; K67-K70 WeakPolarHBondContact O-CA 3.33Å; K67-K70 PolarHBondContact O-N 3.25Å; K67-H72 HydrophobicContact CB-CB 4.28Å; K67-H72 VanDerWaalsContact O-CB 3.28Å; K67-H72 WeakPolarHBondContact O-CB 3.2Å; K67-H72 PolarHBondContact O-N 3.35Å; K67-H72 VanDerWaalsContact O-N 3.14Å; K67-V75 HydrophobicContact CB-CB 4.18Å; K67-V75 HydrophobicContact CB-CG1 3.87Å; K67-V75 HydrophobicContact CB-CG2 4.2Å; K67-V75 HydrophobicContact CD-CG1 4.09Å; K67-V75 HydrophobicContact CD-CG2 3.98Å
68V93.4Very high93Very high43 Ų4382.6 Ų82.626%0.26141%0.409SS..Hα-helixtrans-59.6-46.7174179.90000111L64 K70 G71 V75 K76 L79L64-V68 PolarHBondContact O-N 2.86Å; L64-V68 VanDerWaalsContact O-N 3.08Å; V68-K70 PolarHBondContact O-N 3.1Å; V68-K70 VanDerWaalsContact O-N 3.12Å; V68-G71 PolarHBondContact O-N 3Å; V68-V75 HydrophobicContact CG2-CB 4.38Å; V68-V75 HydrophobicContact CG2-CG1 4.35Å; V68-K76 HydrophobicContact CG2-CB 4.43Å; V68-L79 HydrophobicContact CG2-CB 4.32Å; V68-L79 HydrophobicContact CG2-CD2 4.09Å
69R92.4Very high93Very high177 Ų17778.7 Ų78.767%0.66840%0.395SS*.THydrogen-bonded Turntrans-63.4-12.8173.9-73.8176.5177.2-168.2-2.6114.8Q65Q65-R69 HydrophobicContact CG-CG 4.34Å; Q65-R69 WeakPolarHBondContact O-CB 3.16Å; Q65-R69 VanDerWaalsContact O-CG 3.28Å; Q65-R69 WeakPolarHBondContact O-CG 3.32Å; Q65-R69 PolarHBondContact O-N 2.77Å; Q65-R69 VanDerWaalsContact OE1-NH2 3.12Å
70K93.3Very high92.9Very high185 Ų18577.1 Ų77.180%0.80439%0.39SS*.THydrogen-bonded Turntrans-100.921.2172.9-71.9-175.1175.8-162.40112.7K66 K67 V68 H72K66-K70 WeakPolarHBondContact O-CG 3.26Å; K66-K70 PolarHBondContact O-N 3.04Å; K67-K70 CarbonylContact O-C 3.58Å; K67-K70 WeakPolarHBondContact O-CA 3.33Å; K67-K70 PolarHBondContact O-N 3.25Å; V68-K70 PolarHBondContact O-N 3.1Å; V68-K70 VanDerWaalsContact O-N 3.12Å; K70-H72 VanDerWaalsContact C-N 3.27Å; K70-H72 PolarHBondContact O-N 3.46Å
71G87.9Confident92.9Very high56 Ų5677.6 Ų77.658%0.57740%0.398SS*.THydrogen-bonded Turntrans781.4176.400000115.4V68 C73V68-G71 PolarHBondContact O-N 3Å; G71-C73 PolarHBondContact O-N 3.29Å; G71-C73 PolarHBondContact O-SG 3.4Å; G71-C73 VanDerWaalsContact O-SG 3.36Å
72H86.3Confident92.9Very high95 Ų9578 Ų7844%0.4440%0.401SS..  trans-78.864.6-178.4-160.9-37000110.9K67 K70 S74 V75K67-H72 HydrophobicContact CB-CB 4.28Å; K67-H72 VanDerWaalsContact O-CB 3.28Å; K67-H72 WeakPolarHBondContact O-CB 3.2Å; K67-H72 PolarHBondContact O-N 3.35Å; K67-H72 VanDerWaalsContact O-N 3.14Å; K70-H72 VanDerWaalsContact C-N 3.27Å; K70-H72 PolarHBondContact O-N 3.46Å; H72-S74 PolarHBondContact CE1-OG 2.98Å; H72-S74 VanDerWaalsContact CE1-OG 3.27Å; H72-S74 PolarHBondContact ND1-OG 2.96Å; H72-S74 PolarHBondContact O-N 3.16Å; H72-S74 VanDerWaalsContact O-N 3.11Å; H72-V75 HydrophobicContact CB-CG2 4.41Å; H72-V75 WeakPolarHBondContact ND1-CG2 3.43Å; H72-V75 WeakPolarHBondContact O-CB 3.3Å; H72-V75 PolarHBondContact O-N 2.71Å
73C86.9Confident92.9Very high95 Ų9578.2 Ų78.264%0.64240%0.401SS*.G310 helixtrans-59.3-28.4-167.5-630000114.1G71 V75 K76G71-C73 PolarHBondContact O-N 3.29Å; G71-C73 PolarHBondContact O-SG 3.4Å; G71-C73 VanDerWaalsContact O-SG 3.36Å; C73-V75 PolarHBondContact O-N 3.49Å; C73-K76 VanDerWaalsContact O-CB 3.3Å; C73-K76 WeakPolarHBondContact O-CB 3.13Å; C73-K76 PolarHBondContact O-N 2.97Å
74S89.2Confident92.8Very high92 Ų9275.9 Ų75.964%0.64340%0.396SS*.G310 helixtrans-61.1-9.4171.649.80000114.8H72H72-S74 PolarHBondContact CE1-OG 2.98Å; H72-S74 VanDerWaalsContact CE1-OG 3.27Å; H72-S74 PolarHBondContact ND1-OG 2.96Å; H72-S74 PolarHBondContact O-N 3.16Å; H72-S74 VanDerWaalsContact O-N 3.11Å
75V91.4Very high92.8Very high3 Ų377.7 Ų77.72%0.01840%0.404CS..G310 helixtrans-89.9-8.6172.8175.40000112.6L64 K67 V68 H72 C73 L77 M78 L79L64-V75 HydrophobicContact CB-CG1 4.14Å; L64-V75 HydrophobicContact CD2-CG1 3.56Å; L64-V75 HydrophobicContact CG-CG1 4.48Å; K67-V75 HydrophobicContact CB-CB 4.18Å; K67-V75 HydrophobicContact CB-CG1 3.87Å; K67-V75 HydrophobicContact CB-CG2 4.2Å; K67-V75 HydrophobicContact CD-CG1 4.09Å; K67-V75 HydrophobicContact CD-CG2 3.98Å; V68-V75 HydrophobicContact CG2-CB 4.38Å; V68-V75 HydrophobicContact CG2-CG1 4.35Å; H72-V75 HydrophobicContact CB-CG2 4.41Å; H72-V75 WeakPolarHBondContact ND1-CG2 3.43Å; H72-V75 WeakPolarHBondContact O-CB 3.3Å; H72-V75 PolarHBondContact O-N 2.71Å; C73-V75 PolarHBondContact O-N 3.49Å; V75-L77 PolarHBondContact O-N 2.64Å; V75-M78 HydrophobicContact CB-CE 4.21Å; V75-M78 HydrophobicContact CG1-CB 4.45Å; V75-M78 HydrophobicContact CG1-CE 4.3Å; V75-M78 HydrophobicContact CG2-CE 3.83Å; V75-M78 WeakPolarHBondContact O-CB 3.44Å; V75-M78 PolarHBondContact O-N 3.43Å; V75-L79 PolarHBondContact O-N 2.86Å
76K91.8Very high92.9Very high117 Ų11776.9 Ų76.951%0.50940%0.401SS..Hα-helixtrans-56.1-49.6-175.9-167-166.1168.1-172.60112.4V68 C73 M78 L79 D80V68-K76 HydrophobicContact CG2-CB 4.43Å; C73-K76 VanDerWaalsContact O-CB 3.3Å; C73-K76 WeakPolarHBondContact O-CB 3.13Å; C73-K76 PolarHBondContact O-N 2.97Å; K76-M78 PolarHBondContact O-N 2.77Å; K76-L79 WeakPolarHBondContact O-CA 3.45Å; K76-L79 WeakPolarHBondContact O-CB 3.28Å; K76-L79 PolarHBondContact O-N 3.3Å; K76-D80 WeakPolarHBondContact CE-OD2 3.32Å; K76-D80 PolarHBondContact O-N 2.9Å
77L94.1Very high92.8Very high143 Ų14376 Ų7675%0.74940%0.399SS*.Hα-helixtrans-59.7-31.7178.5-62.8176000113.4V75 S81V75-L77 PolarHBondContact O-N 2.64Å; L77-S81 WeakPolarHBondContact O-CB 3.25Å; L77-S81 PolarHBondContact O-N 3.41Å
78M93.7Very high92.9Very high103 Ų10374.3 Ų74.351%0.50739%0.394SS..Hα-helixtrans-72.4-37.1173.5-73-177-82.300112L64 V75 K76 A82L64-M78 HydrophobicContact CD1-CB 4.33Å; L64-M78 WeakPolarHBondContact CD1-O 3.45Å; L64-M78 HydrophobicContact CD2-CB 4.05Å; V75-M78 HydrophobicContact CB-CE 4.21Å; V75-M78 HydrophobicContact CG1-CB 4.45Å; V75-M78 HydrophobicContact CG1-CE 4.3Å; V75-M78 HydrophobicContact CG2-CE 3.83Å; V75-M78 WeakPolarHBondContact O-CB 3.44Å; V75-M78 PolarHBondContact O-N 3.43Å; K76-M78 PolarHBondContact O-N 2.77Å; M78-A82 WeakPolarHBondContact O-CB 3.44Å; M78-A82 PolarHBondContact O-N 2.96Å
79L95.4Very high93Very high13 Ų1377 Ų777%0.06840%0.4CS..Hα-helixtrans-62.2-50.8171.6170.263.1000110.7A61 L64 Q65 V68 V75 K76 S81 A82 V83A61-L79 HydrophobicContact CB-CD1 4.48Å; L64-L79 HydrophobicContact CB-CB 3.96Å; L64-L79 HydrophobicContact CB-CD1 4.19Å; Q65-L79 HydrophobicContact CB-CD1 3.76Å; Q65-L79 HydrophobicContact CB-CD2 3.74Å; Q65-L79 HydrophobicContact CB-CG 4.4Å; Q65-L79 HydrophobicContact CG-CD2 4.35Å; V68-L79 HydrophobicContact CG2-CB 4.32Å; V68-L79 HydrophobicContact CG2-CD2 4.09Å; V75-L79 PolarHBondContact O-N 2.86Å; K76-L79 WeakPolarHBondContact O-CA 3.45Å; K76-L79 WeakPolarHBondContact O-CB 3.28Å; K76-L79 PolarHBondContact O-N 3.3Å; L79-S81 VanDerWaalsContact C-N 3.27Å; L79-S81 PolarHBondContact O-N 2.86Å; L79-A82 CarbonylContact O-C 3.5Å; L79-A82 PolarHBondContact O-N 3.19Å; L79-V83 HydrophobicContact CD1-CG2 4.02Å; L79-V83 HydrophobicContact CG-CG2 4.39Å; L79-V83 WeakPolarHBondContact O-CG2 3.37Å; L79-V83 PolarHBondContact O-N 3.29Å
80D94.1Very high93Very high71 Ų7169.4 Ų69.438%0.3838%0.377SS..Hα-helixtrans-60.8-40.2-175.7-57.3-19.1000110.3K76 V83 Q84K76-D80 WeakPolarHBondContact CE-OD2 3.32Å; K76-D80 PolarHBondContact O-N 2.9Å; D80-V83 PolarHBondContact O-N 3.16Å; D80-Q84 PolarHBondContact O-N 3.42Å; D80-Q84 VanDerWaalsContact O-N 3.13Å
81S95.4Very high93Very high69 Ų6963.2 Ų63.248%0.48335%0.352SS..Hα-helixtrans-61.5-48.1170.1-179.60000113.1L77 L79 V83 Q84 E85L77-S81 WeakPolarHBondContact O-CB 3.25Å; L77-S81 PolarHBondContact O-N 3.41Å; L79-S81 VanDerWaalsContact C-N 3.27Å; L79-S81 PolarHBondContact O-N 2.86Å; S81-V83 VanDerWaalsContact C-N 3.28Å; S81-V83 PolarHBondContact O-N 3.05Å; S81-Q84 WeakPolarHBondContact O-CB 3.45Å; S81-Q84 PolarHBondContact O-N 3.43Å; S81-Q84 VanDerWaalsContact O-N 3.11Å; S81-E85 PolarHBondContact O-N 2.92Å
82A96.2Very high93.3Very high8 Ų864.8 Ų64.87%0.06635%0.346CS..Hα-helixtrans-67.4-25.7179.300000113.6A61 L64 M78 L79 V86A61-A82 HydrophobicContact CB-CB 3.89Å; L64-A82 HydrophobicContact CD1-CB 3.62Å; M78-A82 WeakPolarHBondContact O-CB 3.44Å; M78-A82 PolarHBondContact O-N 2.96Å; L79-A82 CarbonylContact O-C 3.5Å; L79-A82 PolarHBondContact O-N 3.19Å; A82-V86 WeakPolarHBondContact O-CG2 3.36Å; A82-V86 PolarHBondContact O-N 2.97Å
83V94.8Very high93.6Very high18 Ų1860.3 Ų60.311%0.10933%0.326CS..Hα-helixtrans-66.6-48.3168.6165.80000110.2L79 D80 S81 E85 V86 N87 A454L79-V83 HydrophobicContact CD1-CG2 4.02Å; L79-V83 HydrophobicContact CG-CG2 4.39Å; L79-V83 WeakPolarHBondContact O-CG2 3.37Å; L79-V83 PolarHBondContact O-N 3.29Å; D80-V83 PolarHBondContact O-N 3.16Å; S81-V83 VanDerWaalsContact C-N 3.28Å; S81-V83 PolarHBondContact O-N 3.05Å; V83-E85 VanDerWaalsContact C-N 3.33Å; V83-E85 PolarHBondContact O-N 2.95Å; V83-V86 WeakPolarHBondContact O-CB 3.48Å; V83-V86 PolarHBondContact O-N 2.93Å; V83-V86 VanDerWaalsContact O-N 3.08Å; V83-N87 PolarHBondContact O-N 2.99Å; V83-N87 VanDerWaalsContact O-N 3.14Å; V83-A454 HydrophobicContact CG1-CB 3.97Å; V83-A454 WeakPolarHBondContact CG1-O 3.12Å
84Q94.6Very high93.8Very high90 Ų9056.6 Ų56.642%0.42130%0.299SS..Hα-helixtrans-60-43.9178.6-173.159.636.400111.3D80 S81 V86 N87 D88D80-Q84 PolarHBondContact O-N 3.42Å; D80-Q84 VanDerWaalsContact O-N 3.13Å; S81-Q84 WeakPolarHBondContact O-CB 3.45Å; S81-Q84 PolarHBondContact O-N 3.43Å; S81-Q84 VanDerWaalsContact O-N 3.11Å; Q84-V86 PolarHBondContact O-N 3.13Å; Q84-N87 WeakPolarHBondContact O-CB 3.3Å; Q84-N87 PolarHBondContact O-N 2.88Å; Q84-D88 PolarHBondContact NE2-OD1 3.3Å; Q84-D88 PolarHBondContact O-N 2.8Å
85E95Very high93.9Very high70 Ų7057.5 Ų57.533%0.32729%0.294SS..Hα-helixtrans-57.1-34174.7-69.6-169.2134.100113.4R57 S81 V83 R89R57-E85 WeakPolarHBondContact CD-OE2 3.46Å; R57-E85 HydrophobicContact CG-CB 4.49Å; R57-E85 IonicContact CZ-OE1 2.72Å; R57-E85 IonicContact CZ-OE2 2.83Å; R57-E85 IonicContact NE-OE2 3.54Å; R57-E85 IonicContact NH1-OE1 3.87Å; R57-E85 PolarHBondContact NH1-OE1 3.22Å; R57-E85 IonicContact NH1-OE2 2.97Å; R57-E85 PolarHBondContact NH1-OE2 3.47Å; S81-E85 PolarHBondContact O-N 2.92Å; V83-E85 VanDerWaalsContact C-N 3.33Å; V83-E85 PolarHBondContact O-N 2.95Å; E85-R89 WeakPolarHBondContact O-CB 3.34Å; E85-R89 WeakPolarHBondContact O-CG 2.72Å; E85-R89 PolarHBondContact O-N 2.79Å; E85-R89 VanDerWaalsContact O-N 3.1Å
86V95.5Very high94Very high16 Ų1659.2 Ų59.210%0.09731%0.305CS..Hα-helixtrans-69.2-43.1174.9169.90000111.3R57 R58 A82 V83 Q84 G90R57-V86 VanDerWaalsContact C-CG2 3.45Å; R57-V86 HydrophobicContact CB-CG2 3.6Å; R58-V86 HydrophobicContact CB-CG2 4.4Å; R58-V86 HydrophobicContact CG-CB 4.38Å; R58-V86 HydrophobicContact CG-CG1 3.57Å; R58-V86 HydrophobicContact CG-CG2 3.77Å; A82-V86 WeakPolarHBondContact O-CG2 3.36Å; A82-V86 PolarHBondContact O-N 2.97Å; V83-V86 WeakPolarHBondContact O-CB 3.48Å; V83-V86 PolarHBondContact O-N 2.93Å; V83-V86 VanDerWaalsContact O-N 3.08Å; Q84-V86 PolarHBondContact O-N 3.13Å; V86-G90 PolarHBondContact O-N 2.96Å
87N93.8Very high93.9Very high27 Ų2753.6 Ų53.614%0.14428%0.281CS..Hα-helixtrans-64.7-47.3178-172.525.8000110.8V83 Q84 R89 G90 N91 R544V83-N87 PolarHBondContact O-N 2.99Å; V83-N87 VanDerWaalsContact O-N 3.14Å; Q84-N87 WeakPolarHBondContact O-CB 3.3Å; Q84-N87 PolarHBondContact O-N 2.88Å; N87-R89 PolarHBondContact O-N 2.89Å; N87-G90 CarbonylContact O-C 3.5Å; N87-G90 WeakPolarHBondContact O-CA 3.18Å; N87-G90 PolarHBondContact O-N 2.84Å; N87-G90 VanDerWaalsContact O-N 3.1Å; N87-N91 PolarHBondContact O-N 3.25Å; N87-N91 PolarHBondContact O-ND2 2.9Å; N87-N91 VanDerWaalsContact O-ND2 3.09Å; N87-N91 PolarHBondContact OD1-ND2 3.48Å; N87-R544 PolarHBondContact OD1-NH2 3.15Å
88D96Very high93.7Very high69 Ų6952.8 Ų52.837%0.36927%0.268SS..Hα-helixtrans-60.6-46.2178.6-67.6-21000112Q84 G90 N91 I92Q84-D88 PolarHBondContact NE2-OD1 3.3Å; Q84-D88 PolarHBondContact O-N 2.8Å; D88-G90 VanDerWaalsContact C-N 3.28Å; D88-G90 PolarHBondContact O-N 2.66Å; D88-N91 PolarHBondContact O-N 3.04Å; D88-I92 VanDerWaalsContact O-CG1 3.28Å; D88-I92 WeakPolarHBondContact O-CG1 3.45Å; D88-I92 PolarHBondContact O-N 2.89Å
89R94.1Very high93.7Very high101 Ų10153.9 Ų53.938%0.38127%0.272SS..Hα-helixtrans-64.2-33.9175.1-66.2-72.1178.3-172.5-3.6112.1E53 I54 E85 N87 L93E53-R89 HydrophobicContact CG-CG 4.49Å; I54-R89 HydrophobicContact CG1-CB 3.61Å; E85-R89 WeakPolarHBondContact O-CB 3.34Å; E85-R89 WeakPolarHBondContact O-CG 2.72Å; E85-R89 PolarHBondContact O-N 2.79Å; E85-R89 VanDerWaalsContact O-N 3.1Å; N87-R89 PolarHBondContact O-N 2.89Å; R89-L93 PolarHBondContact O-N 2.98Å
90G93.4Very high93.4Very high17 Ų1754 Ų5418%0.17528%0.275CS..Hα-helixtrans-66.6-41.4171.900000113.3V86 N87 D88 L93 L94V86-G90 PolarHBondContact O-N 2.96Å; N87-G90 CarbonylContact O-C 3.5Å; N87-G90 WeakPolarHBondContact O-CA 3.18Å; N87-G90 PolarHBondContact O-N 2.84Å; N87-G90 VanDerWaalsContact O-N 3.1Å; D88-G90 VanDerWaalsContact C-N 3.28Å; D88-G90 PolarHBondContact O-N 2.66Å; G90-L93 PolarHBondContact O-N 3.37Å; G90-L94 PolarHBondContact O-N 3.43Å
91N92.4Very high93.3Very high54 Ų5451.1 Ų51.129%0.28926%0.259SS..Hα-helixtrans-63.7-45.5174.2-70.4-45.9000111.2N87 D88 L93 L94 Q95 R544N87-N91 PolarHBondContact O-N 3.25Å; N87-N91 PolarHBondContact O-ND2 2.9Å; N87-N91 VanDerWaalsContact O-ND2 3.09Å; N87-N91 PolarHBondContact OD1-ND2 3.48Å; D88-N91 PolarHBondContact O-N 3.04Å; N91-L93 PolarHBondContact O-N 3.34Å; N91-L94 PolarHBondContact O-N 2.91Å; N91-Q95 WeakPolarHBondContact O-CG 3.24Å; N91-Q95 PolarHBondContact O-N 3.44Å; N91-R544 VanDerWaalsContact OD1-CZ 3.22Å; N91-R544 PolarHBondContact OD1-NH1 3.4Å; N91-R544 PolarHBondContact OD1-NH2 3.42Å
92I94.2Very high93.1Very high89 Ų8955.8 Ų55.846%0.45627%0.267SS..Hα-helixtrans-58.7-46.9176.3-70.1162.4000110.8D88 L94 Q95 S96D88-I92 VanDerWaalsContact O-CG1 3.28Å; D88-I92 WeakPolarHBondContact O-CG1 3.45Å; D88-I92 PolarHBondContact O-N 2.89Å; I92-L94 PolarHBondContact O-N 3.44Å; I92-Q95 PolarHBondContact O-N 3.43Å; I92-S96 WeakPolarHBondContact O-CB 3.4Å; I92-S96 PolarHBondContact O-N 3.07Å
93L93.2Very high93Very high1 Ų160 Ų601%0.00528%0.284CS..Hα-helixtrans-61.2-44.9176.817956.4000111.7Y47 R51 I54 R89 G90 N91 Q95 S96 E97Y47-L93 HydrophobicContact CD2-CD1 4.22Å; R51-L93 HydrophobicContact CG-CD2 3.72Å; I54-L93 HydrophobicContact CD1-CB 3.99Å; I54-L93 HydrophobicContact CD1-CD2 3.53Å; I54-L93 HydrophobicContact CD1-CG 4.43Å; R89-L93 PolarHBondContact O-N 2.98Å; G90-L93 PolarHBondContact O-N 3.37Å; N91-L93 PolarHBondContact O-N 3.34Å; L93-Q95 VanDerWaalsContact C-N 3.33Å; L93-Q95 PolarHBondContact O-N 3.35Å; L93-S96 WeakPolarHBondContact O-CB 3.41Å; L93-S96 PolarHBondContact O-N 3.22Å; L93-S96 VanDerWaalsContact O-N 3.12Å; L93-E97 HydrophobicContact CD1-CG 4.44Å; L93-E97 WeakPolarHBondContact O-CG 3.25Å; L93-E97 PolarHBondContact O-N 3.04Å
94L91.3Very high92.8Very high17 Ų1759.1 Ų59.19%0.08928%0.279CS..Hα-helixtrans-61.7-38.5178.8179.962.1000112.9G90 N91 I92 R98 L537 Q540 Q541G90-L94 PolarHBondContact O-N 3.43Å; N91-L94 PolarHBondContact O-N 2.91Å; I92-L94 PolarHBondContact O-N 3.44Å; L94-R98 WeakPolarHBondContact O-CG 3.17Å; L94-R98 PolarHBondContact O-N 3.29Å; L94-L537 HydrophobicContact CD1-CD1 3.81Å; L94-Q540 HydrophobicContact CD1-CB 4.43Å; L94-Q541 HydrophobicContact CD1-CG 4.05Å
95Q92.3Very high92.5Very high112 Ų11255.4 Ų55.452%0.52326%0.262SS..Hα-helixtrans-73.1-31.8174.9-58.4-65.818.400111.9N91 I92 L93 R98 H99N91-Q95 WeakPolarHBondContact O-CG 3.24Å; N91-Q95 PolarHBondContact O-N 3.44Å; I92-Q95 PolarHBondContact O-N 3.43Å; L93-Q95 VanDerWaalsContact C-N 3.33Å; L93-Q95 PolarHBondContact O-N 3.35Å; Q95-R98 PolarHBondContact O-N 3.17Å; Q95-R98 VanDerWaalsContact OE1-CD 3.28Å; Q95-H99 WeakPolarHBondContact O-CB 3.43Å; Q95-H99 PolarHBondContact O-N 2.38Å
96S91.7Very high92.4Very high38 Ų3855.5 Ų55.527%0.26627%0.267SS..Hα-helixtrans-63.5-46.3172.8-171.30000111.9I92 L93 R98 H99 A100I92-S96 WeakPolarHBondContact O-CB 3.4Å; I92-S96 PolarHBondContact O-N 3.07Å; L93-S96 WeakPolarHBondContact O-CB 3.41Å; L93-S96 PolarHBondContact O-N 3.22Å; L93-S96 VanDerWaalsContact O-N 3.12Å; S96-R98 PolarHBondContact O-N 3.38Å; S96-H99 PolarHBondContact O-N 2.88Å; S96-A100 WeakPolarHBondContact O-CB 3.19Å; S96-A100 PolarHBondContact O-N 3.04Å
97E91Very high92.2Very high0 Ų056.4 Ų56.40%027%0.271CS..Hα-helixtrans-59-45.1174-62.6-55.1100.800111.5H43 Y47 L93 H99 A100 V101 R536 L537 Q540H43-E97 IonicContact NE2-OE1 2.72Å; H43-E97 IonicContact NE2-OE2 2.68Å; H43-E97 PolarHBondContact NE2-OE2 3.29Å; Y47-E97 VanDerWaalsContact CD2-OE1 3.28Å; Y47-E97 WeakPolarHBondContact CD2-OE1 3.33Å; L93-E97 HydrophobicContact CD1-CG 4.44Å; L93-E97 WeakPolarHBondContact O-CG 3.25Å; L93-E97 PolarHBondContact O-N 3.04Å; E97-H99 VanDerWaalsContact C-N 3.34Å; E97-H99 PolarHBondContact O-N 2.86Å; E97-A100 PolarHBondContact O-N 2.75Å; E97-V101 WeakPolarHBondContact O-CG2 3.25Å; E97-V101 PolarHBondContact O-N 2.99Å; E97-R536 WeakPolarHBondContact OE2-CB 3.5Å; E97-L537 HydrophobicContact CB-CB 4.15Å; E97-L537 HydrophobicContact CB-CD1 3.76Å; E97-Q540 HydrophobicContact CG-CG 4Å
98R89.8Confident91.9Very high125 Ų12555.4 Ų55.447%0.47227%0.265SS..Hα-helixtrans-61.2-41.9177.5-76.4171.8164.9-169.3-5.3112.2L94 Q95 S96 R102 L537L94-R98 WeakPolarHBondContact O-CG 3.17Å; L94-R98 PolarHBondContact O-N 3.29Å; Q95-R98 PolarHBondContact O-N 3.17Å; Q95-R98 VanDerWaalsContact OE1-CD 3.28Å; S96-R98 PolarHBondContact O-N 3.38Å; R98-R102 WeakPolarHBondContact O-CB 3.13Å; R98-R102 PolarHBondContact O-N 2.93Å; R98-L537 HydrophobicContact CG-CD1 3.85Å; R98-L537 HydrophobicContact CG-CD2 4.39Å
99H92.5Very high91.7Very high127 Ų12755.7 Ų55.759%0.58826%0.261SS*.Hα-helixtrans-65.9-43.2176.4-175.982.7000111.3Q95 S96 E97 R102 H103Q95-H99 WeakPolarHBondContact O-CB 3.43Å; Q95-H99 PolarHBondContact O-N 2.38Å; S96-H99 PolarHBondContact O-N 2.88Å; E97-H99 VanDerWaalsContact C-N 3.34Å; E97-H99 PolarHBondContact O-N 2.86Å; H99-R102 PolarHBondContact O-N 3.17Å; H99-H103 WeakPolarHBondContact O-CB 3.46Å; H99-H103 PolarHBondContact O-N 2.94Å
100A91.1Very high91.7Very high16 Ų1652.8 Ų52.813%0.13226%0.256CS..Hα-helixtrans-62.8-45177.700000112.6H43 S96 E97 H103 A104 L533H43-A100 VanDerWaalsContact CD2-CB 3.43Å; H43-A100 WeakPolarHBondContact CD2-CB 3.39Å; S96-A100 WeakPolarHBondContact O-CB 3.19Å; S96-A100 PolarHBondContact O-N 3.04Å; E97-A100 PolarHBondContact O-N 2.75Å; A100-H103 PolarHBondContact O-N 2.95Å; A100-A104 PolarHBondContact O-N 3.28Å; A100-L533 HydrophobicContact CB-CD2 3.97Å
101V90.1Very high91.6Very high9 Ų952.3 Ų52.36%0.05525%0.25CC..Hα-helixtrans-58.4-48172.91690000111E97 H103 A104 L105 L533 N534 L537E97-V101 WeakPolarHBondContact O-CG2 3.25Å; E97-V101 PolarHBondContact O-N 2.99Å; V101-H103 VanDerWaalsContact C-N 3.33Å; V101-H103 PolarHBondContact O-N 2.98Å; V101-A104 PolarHBondContact O-N 3.31Å; V101-L105 HydrophobicContact CG1-CD1 3.9Å; V101-L105 WeakPolarHBondContact O-CG 3.21Å; V101-L105 PolarHBondContact O-N 3.01Å; V101-L533 HydrophobicContact CG2-CB 3.68Å; V101-N534 WeakPolarHBondContact CG1-OD1 3.47Å; V101-L537 HydrophobicContact CB-CD2 4.44Å; V101-L537 HydrophobicContact CG2-CB 4.35Å; V101-L537 HydrophobicContact CG2-CD2 3.9Å
102R92.9Very high91.5Very high168 Ų16853.3 Ų53.363%0.63425%0.251SS*.Hα-helixtrans-61.6-40.9178.1-174.8178.5175.798.6-1.1111.9R98 H99 L105 V106R98-R102 WeakPolarHBondContact O-CB 3.13Å; R98-R102 PolarHBondContact O-N 2.93Å; H99-R102 PolarHBondContact O-N 3.17Å; R102-L105 PolarHBondContact O-N 3.25Å; R102-V106 HydrophobicContact CG-CG2 4.32Å; R102-V106 WeakPolarHBondContact O-CB 3.24Å; R102-V106 VanDerWaalsContact O-CG2 3.25Å; R102-V106 WeakPolarHBondContact O-CG2 3.05Å; R102-V106 PolarHBondContact O-N 2.9Å
103H92.8Very high91.5Very high95 Ų9551.4 Ų51.444%0.4425%0.245SC..Hα-helixtrans-64-40.7178.2-166.5-64.3000111.7M39 H99 A100 V101 E107M39-H103 HydrophobicContact CE-CB 4.39Å; M39-H103 WeakPolarHBondContact CE-ND1 3.35Å; H99-H103 WeakPolarHBondContact O-CB 3.46Å; H99-H103 PolarHBondContact O-N 2.94Å; A100-H103 PolarHBondContact O-N 2.95Å; V101-H103 VanDerWaalsContact C-N 3.33Å; V101-H103 PolarHBondContact O-N 2.98Å; H103-E107 WeakPolarHBondContact O-CB 3.41Å; H103-E107 PolarHBondContact O-N 3.29Å
104A90.4Very high91.5Very high0 Ų054.6 Ų54.60%026%0.262CS..Hα-helixtrans-66.7-41.8176.400000112.9M39 A100 V101 E107 Q108 I530 L533M39-A104 HydrophobicContact CE-CB 3.88Å; A100-A104 PolarHBondContact O-N 3.28Å; V101-A104 PolarHBondContact O-N 3.31Å; A104-E107 PolarHBondContact O-N 2.95Å; A104-Q108 WeakPolarHBondContact O-CB 3.36Å; A104-Q108 PolarHBondContact O-N 3.45Å; A104-I530 HydrophobicContact CB-CD1 4.49Å; A104-I530 HydrophobicContact CB-CG1 3.7Å; A104-L533 HydrophobicContact CB-CD1 3.62Å
105L89.4Confident91.5Very high12 Ų1256.1 Ų56.16%0.06327%0.268CS..Hα-helixtrans-67.8-38.1176-69.7169.4000112.6V101 R102 R109 I530 F583V101-L105 HydrophobicContact CG1-CD1 3.9Å; V101-L105 WeakPolarHBondContact O-CG 3.21Å; V101-L105 PolarHBondContact O-N 3.01Å; R102-L105 PolarHBondContact O-N 3.25Å; L105-R109 WeakPolarHBondContact O-CB 3.36Å; L105-R109 PolarHBondContact O-N 2.99Å; L105-I530 HydrophobicContact CD2-CD1 4.19Å; L105-I530 HydrophobicContact CD2-CG2 4.12Å; L105-F583 HydrophobicContact CB-CD1 4Å; L105-F583 HydrophobicContact CB-CD2 4.49Å; L105-F583 HydrophobicContact CB-CE1 3.72Å; L105-F583 HydrophobicContact CB-CE2 4.24Å; L105-F583 HydrophobicContact CB-CG 4.38Å; L105-F583 HydrophobicContact CB-CZ 3.84Å; L105-F583 HydrophobicContact CD1-CD2 4.45Å; L105-F583 HydrophobicContact CD1-CG 4.38Å; L105-F583 WeakPolarHBondContact O-CE1 3.49Å
106V93Very high91.5Very high72 Ų7255.1 Ų55.144%0.43627%0.269SS..Hα-helixtrans-66.7-41.6174.9169.10000111.4R102 R109 S110 F583R102-V106 HydrophobicContact CG-CG2 4.32Å; R102-V106 WeakPolarHBondContact O-CB 3.24Å; R102-V106 VanDerWaalsContact O-CG2 3.25Å; R102-V106 WeakPolarHBondContact O-CG2 3.05Å; R102-V106 PolarHBondContact O-N 2.9Å; V106-R109 PolarHBondContact O-N 3.15Å; V106-S110 WeakPolarHBondContact O-CB 3.49Å; V106-S110 PolarHBondContact O-N 3.08Å; V106-F583 HydrophobicContact CG2-CZ 3.95Å
107E91.1Very high91.7Very high35 Ų3556.9 Ų56.916%0.16428%0.282CS..Hα-helixtrans-70.1-39.4178.1-179.265.9172.900112.3N35 M39 H103 A104 R109 S110 Q111 Y526N35-E107 PolarHBondContact ND2-OE1 3.45Å; M39-E107 HydrophobicContact SD-CB 4.32Å; M39-E107 HydrophobicContact SD-CG 4.16Å; H103-E107 WeakPolarHBondContact O-CB 3.41Å; H103-E107 PolarHBondContact O-N 3.29Å; A104-E107 PolarHBondContact O-N 2.95Å; E107-R109 VanDerWaalsContact C-N 3.32Å; E107-R109 PolarHBondContact O-N 3.22Å; E107-S110 PolarHBondContact O-N 3.41Å; E107-S110 PolarHBondContact O-OG 3.28Å; E107-S110 PolarHBondContact OE2-OG 3.48Å; E107-S110 VanDerWaalsContact OE2-OG 3.13Å; E107-Q111 VanDerWaalsContact O-CG 3.3Å; E107-Q111 WeakPolarHBondContact O-CG 3.23Å; E107-Q111 PolarHBondContact O-N 2.86Å; E107-Q111 PolarHBondContact OE1-NE2 3.03Å; E107-Y526 HydrophobicContact CB-CE1 4.28Å; E107-Y526 HydrophobicContact CG-CE1 3.62Å; E107-Y526 WeakPolarHBondContact CG-OH 3.47Å
108Q87.8Confident91.9Very high7 Ų758.8 Ų58.83%0.03329%0.289CS..Hα-helixtrans-61.2-42.6171.7-171.9179.936.300111A104 F112 I530 Y584A104-Q108 WeakPolarHBondContact O-CB 3.36Å; A104-Q108 PolarHBondContact O-N 3.45Å; Q108-F112 HydrophobicContact CG-CD2 4.3Å; Q108-F112 HydrophobicContact CG-CE2 3.87Å; Q108-F112 VanDerWaalsContact O-CD2 3.23Å; Q108-F112 WeakPolarHBondContact O-CD2 3.38Å; Q108-F112 PolarHBondContact O-N 3.04Å; Q108-I530 HydrophobicContact CB-CD1 4.11Å; Q108-I530 HydrophobicContact CG-CD1 4.45Å; Q108-Y584 PolarHBondContact OE1-OH 3.42Å
109R91Very high92.1Very high75 Ų7555.6 Ų55.628%0.28328%0.279SS..Hα-helixtrans-67.7-37.3177.7-173.7171.6-178.3127.87.6113L105 V106 E107 Q111 F112 C113 F583L105-R109 WeakPolarHBondContact O-CB 3.36Å; L105-R109 PolarHBondContact O-N 2.99Å; V106-R109 PolarHBondContact O-N 3.15Å; E107-R109 VanDerWaalsContact C-N 3.32Å; E107-R109 PolarHBondContact O-N 3.22Å; R109-Q111 VanDerWaalsContact C-N 3.27Å; R109-Q111 PolarHBondContact O-N 2.94Å; R109-F112 PolarHBondContact O-N 3.46Å; R109-C113 PolarHBondContact O-N 2.76Å; R109-C113 PolarHBondContact O-SG 3.39Å; R109-C113 VanDerWaalsContact O-SG 3.37Å; R109-F583 HydrophobicContact CB-CE1 4.16Å; R109-F583 PolarHBondContact NH1-O 3.33Å
110S94.3Very high92.2Very high40 Ų4055.1 Ų55.128%0.2828%0.275SS..Hα-helixtrans-60.8-39.4179.477.50000111.2V106 E107 C113 L114V106-S110 WeakPolarHBondContact O-CB 3.49Å; V106-S110 PolarHBondContact O-N 3.08Å; E107-S110 PolarHBondContact O-N 3.41Å; E107-S110 PolarHBondContact O-OG 3.28Å; E107-S110 PolarHBondContact OE2-OG 3.48Å; E107-S110 VanDerWaalsContact OE2-OG 3.13Å; S110-C113 PolarHBondContact O-N 3.37Å; S110-L114 WeakPolarHBondContact O-CG 3.3Å; S110-L114 PolarHBondContact O-N 3.36Å
111Q91.2Very high92.4Very high7 Ų757.1 Ų57.13%0.03329%0.286CS..Hα-helixtrans-66.4-43.7179.2-64.61751400112.3W32 E107 R109 L114 F115 Y526W32-Q111 HydrophobicContact CD2-CB 4.4Å; W32-Q111 HydrophobicContact CD2-CG 3.84Å; W32-Q111 HydrophobicContact CE3-CG 4.47Å; W32-Q111 HydrophobicContact CG-CG 4.01Å; W32-Q111 HydrophobicContact CH2-CB 4.22Å; W32-Q111 HydrophobicContact CZ2-CB 4.03Å; W32-Q111 HydrophobicContact CZ2-CG 3.99Å; E107-Q111 VanDerWaalsContact O-CG 3.3Å; E107-Q111 WeakPolarHBondContact O-CG 3.23Å; E107-Q111 PolarHBondContact O-N 2.86Å; E107-Q111 PolarHBondContact OE1-NE2 3.03Å; R109-Q111 VanDerWaalsContact C-N 3.27Å; R109-Q111 PolarHBondContact O-N 2.94Å; Q111-L114 PolarHBondContact O-N 3.37Å; Q111-F115 WeakPolarHBondContact O-CB 3.48Å; Q111-F115 PolarHBondContact O-N 3.44Å; Q111-Y526 VanDerWaalsContact NE2-CE2 3.28Å; Q111-Y526 PolarHBondContact NE2-OH 3.47Å
112F90.5Very high92.7Very high75 Ų7556.7 Ų56.733%0.32928%0.284SS..Hα-helixtrans-64.4-38.1172.9-73.3-63.3000112.5Q108 R109 F115 V116 Y519 E523Q108-F112 HydrophobicContact CG-CD2 4.3Å; Q108-F112 HydrophobicContact CG-CE2 3.87Å; Q108-F112 VanDerWaalsContact O-CD2 3.23Å; Q108-F112 WeakPolarHBondContact O-CD2 3.38Å; Q108-F112 PolarHBondContact O-N 3.04Å; R109-F112 PolarHBondContact O-N 3.46Å; F112-F115 PolarHBondContact O-N 3.36Å; F112-V116 VanDerWaalsContact O-CG2 3.3Å; F112-V116 WeakPolarHBondContact O-CG2 3.45Å; F112-V116 PolarHBondContact O-N 3.24Å; F112-Y519 WeakPolarHBondContact CD1-OH 3.31Å; F112-Y519 VanDerWaalsContact CE1-OH 3.25Å; F112-Y519 WeakPolarHBondContact CE1-OH 3.03Å; F112-E523 HydrophobicContact CZ-CG 4.29Å
113C93.9Very high92.8Very high48 Ų4849.1 Ų49.132%0.32426%0.256SS..Hα-helixtrans-65.8-37.3174.6-69.70000112.7R109 S110 S117R109-C113 PolarHBondContact O-N 2.76Å; R109-C113 PolarHBondContact O-SG 3.39Å; R109-C113 VanDerWaalsContact O-SG 3.37Å; S110-C113 PolarHBondContact O-N 3.37Å; C113-S117 WeakPolarHBondContact O-CB 3.32Å; C113-S117 PolarHBondContact O-N 3.35Å; C113-S117 VanDerWaalsContact O-N 3.09Å; C113-S117 PolarHBondContact O-OG 2.85Å
114L93Very high93Very high69 Ų6947.3 Ų47.336%0.36125%0.249SC..Hα-helixtrans-66.4-46.3172.7-74.5170.8000111.6W32 S110 Q111 V116 S117 W118W32-L114 HydrophobicContact CZ2-CB 4.27Å; W32-L114 HydrophobicContact CZ2-CD1 4.08Å; S110-L114 WeakPolarHBondContact O-CG 3.3Å; S110-L114 PolarHBondContact O-N 3.36Å; Q111-L114 PolarHBondContact O-N 3.37Å; L114-V116 PolarHBondContact O-N 3.11Å; L114-S117 WeakPolarHBondContact O-CA 3.46Å; L114-S117 WeakPolarHBondContact O-CB 3.5Å; L114-S117 PolarHBondContact O-N 2.87Å; L114-W118 HydrophobicContact CB-CH2 4.4Å; L114-W118 HydrophobicContact CB-CZ2 4.34Å; L114-W118 PolarHBondContact O-N 2.84Å
115F92Very high93.2Very high49 Ų4948.2 Ų48.222%0.21526%0.259CS..Hα-helixtrans-54.5-50.9174.7173.7-94.3000111.5L21 Q111 F112 S117 W118 F119L21-F115 HydrophobicContact CD1-CD2 3.88Å; L21-F115 HydrophobicContact CD1-CE2 3.8Å; L21-F115 HydrophobicContact CD2-CE2 4.46Å; Q111-F115 WeakPolarHBondContact O-CB 3.48Å; Q111-F115 PolarHBondContact O-N 3.44Å; F112-F115 PolarHBondContact O-N 3.36Å; F115-S117 PolarHBondContact O-N 3.43Å; F115-W118 PolarHBondContact O-N 3.31Å; F115-F119 AromaticContact CE1-CD1 3.65Å; F115-F119 HydrophobicContact CE1-CD1 3.65Å; F115-F119 HydrophobicContact CE1-CE1 4.01Å; F115-F119 HydrophobicContact CE1-CG 4.19Å; F115-F119 AromaticContact CZ-CD1 3.96Å; F115-F119 HydrophobicContact CZ-CD1 3.96Å; F115-F119 HydrophobicContact CZ-CE1 4.09Å; F115-F119 HydrophobicContact CZ-CG 4.23Å; F115-F119 HydrophobicContact CZ-CZ 4.45Å; F115-F119 WeakPolarHBondContact O-CB 3.5Å; F115-F119 PolarHBondContact O-N 2.9Å
116V92.9Very high93.5Very high90 Ų9050.3 Ų50.355%0.54527%0.268SS..Hα-helixtrans-61-33177.3171.60000112.1F112 L114 F119 K120F112-V116 VanDerWaalsContact O-CG2 3.3Å; F112-V116 WeakPolarHBondContact O-CG2 3.45Å; F112-V116 PolarHBondContact O-N 3.24Å; L114-V116 PolarHBondContact O-N 3.11Å; V116-F119 PolarHBondContact O-N 3.17Å; V116-K120 PolarHBondContact O-N 3.48Å
117S95.1Very high93.6Very high76 Ų7649.7 Ų49.753%0.53126%0.262SS..Hα-helixtrans-70.7-36.6177.2-580000112.9C113 L114 F115 P121C113-S117 WeakPolarHBondContact O-CB 3.32Å; C113-S117 PolarHBondContact O-N 3.35Å; C113-S117 VanDerWaalsContact O-N 3.09Å; C113-S117 PolarHBondContact O-OG 2.85Å; L114-S117 WeakPolarHBondContact O-CA 3.46Å; L114-S117 WeakPolarHBondContact O-CB 3.5Å; L114-S117 PolarHBondContact O-N 2.87Å; F115-S117 PolarHBondContact O-N 3.43Å; S117-P121 WeakPolarHBondContact O-CD 3.16Å
118W94.8Very high93.7Very high40 Ų4050.4 Ų50.415%0.15227%0.271CS..Hα-helixtrans-72.6-34.3170.8-66.7-29.2000113C20 L21 P24 L25 K28 W32 L114 F115 P121C20-W118 WeakPolarHBondContact O-CB 3.5Å; L21-W118 HydrophobicContact CD1-CB 3.91Å; L21-W118 HydrophobicContact CD1-CE3 4.24Å; P24-W118 HydrophobicContact CB-CD2 3.94Å; P24-W118 HydrophobicContact CB-CG 4.24Å; P24-W118 HydrophobicContact CB-CZ2 3.98Å; L25-W118 HydrophobicContact CB-CE3 4.33Å; L25-W118 HydrophobicContact CB-CZ3 4.08Å; L25-W118 HydrophobicContact CD1-CZ3 3.93Å; K28-W118 HydrophobicContact CB-CH2 3.79Å; K28-W118 HydrophobicContact CB-CZ2 4.49Å; K28-W118 HydrophobicContact CG-CH2 3.66Å; K28-W118 HydrophobicContact CG-CZ2 3.87Å; W32-W118 AromaticContact CH2-CH2 3.56Å; W32-W118 HydrophobicContact CH2-CH2 3.56Å; W32-W118 AromaticContact CH2-CZ3 3.44Å; W32-W118 HydrophobicContact CH2-CZ3 3.44Å; W32-W118 VanDerWaalsContact CH2-CZ3 3.44Å; W32-W118 AromaticContact CZ2-CH2 3.58Å; W32-W118 HydrophobicContact CZ2-CH2 3.58Å; W32-W118 AromaticContact CZ2-CZ3 3.97Å; W32-W118 HydrophobicContact CZ2-CZ3 3.97Å; W32-W118 HydrophobicContact CZ3-CZ3 4.29Å; L114-W118 HydrophobicContact CB-CH2 4.4Å; L114-W118 HydrophobicContact CB-CZ2 4.34Å; L114-W118 PolarHBondContact O-N 2.84Å; F115-W118 PolarHBondContact O-N 3.31Å; W118-P121 WeakPolarHBondContact O-CD 3.33Å; W118-P121 WeakPolarHBondContact O-CG 3.5Å
119F94.6Very high94Very high58 Ų5851.2 Ų51.225%0.25428%0.275SS..Hα-helixtrans-66.8-48.3176.7-142.9-164.6000109L21 F115 V116 I122 L123L21-F119 HydrophobicContact CD2-CD2 3.99Å; L21-F119 HydrophobicContact CD2-CE2 4.29Å; F115-F119 AromaticContact CE1-CD1 3.65Å; F115-F119 HydrophobicContact CE1-CD1 3.65Å; F115-F119 HydrophobicContact CE1-CE1 4.01Å; F115-F119 HydrophobicContact CE1-CG 4.19Å; F115-F119 AromaticContact CZ-CD1 3.96Å; F115-F119 HydrophobicContact CZ-CD1 3.96Å; F115-F119 HydrophobicContact CZ-CE1 4.09Å; F115-F119 HydrophobicContact CZ-CG 4.23Å; F115-F119 HydrophobicContact CZ-CZ 4.45Å; F115-F119 WeakPolarHBondContact O-CB 3.5Å; F115-F119 PolarHBondContact O-N 2.9Å; V116-F119 PolarHBondContact O-N 3.17Å; F119-I122 HydrophobicContact CD2-CG2 4.11Å; F119-I122 HydrophobicContact CE2-CG2 4.48Å; F119-I122 WeakPolarHBondContact O-CB 3.46Å; F119-I122 PolarHBondContact O-N 3.09Å; F119-L123 HydrophobicContact CB-CD1 3.92Å; F119-L123 HydrophobicContact CB-CG 4.35Å; F119-L123 HydrophobicContact CD1-CD1 3.39Å; F119-L123 HydrophobicContact CD1-CG 4.38Å; F119-L123 HydrophobicContact CD2-CD1 3.57Å; F119-L123 HydrophobicContact CD2-CD2 3.91Å; F119-L123 HydrophobicContact CD2-CG 3.65Å; F119-L123 HydrophobicContact CE1-CD1 3.69Å; F119-L123 HydrophobicContact CE2-CD1 3.86Å; F119-L123 HydrophobicContact CE2-CD2 3.74Å; F119-L123 HydrophobicContact CE2-CG 4Å; F119-L123 HydrophobicContact CG-CD1 3.3Å; F119-L123 HydrophobicContact CG-CD2 4.48Å; F119-L123 HydrophobicContact CG-CG 3.84Å; F119-L123 HydrophobicContact CZ-CD1 3.91Å; F119-L123 HydrophobicContact CZ-CD2 4.17Å; F119-L123 HydrophobicContact CZ-CG 4.49Å; F119-L123 WeakPolarHBondContact O-CB 3.23Å; F119-L123 WeakPolarHBondContact O-CG 3.35Å; F119-L123 PolarHBondContact O-N 3.13Å; F119-L123 VanDerWaalsContact O-N 3.12Å
120K94.4Very high94.1Very high116 Ų11653 Ų5350%0.50429%0.288SS..Hα-helixtrans-42.3-54.2-177.7177.9163.2171.351.90116.9V116 I122 L123 D124V116-K120 PolarHBondContact O-N 3.48Å; K120-I122 PolarHBondContact O-N 2.73Å; K120-L123 CarbonylContact O-C 3.51Å; K120-L123 WeakPolarHBondContact O-CA 3.4Å; K120-L123 WeakPolarHBondContact O-CB 3.44Å; K120-L123 PolarHBondContact O-N 3.36Å; K120-D124 WeakPolarHBondContact CE-OD2 3.48Å; K120-D124 WeakPolarHBondContact CG-OD2 3.44Å; K120-D124 IonicContact NZ-OD1 3.96Å; K120-D124 PolarHBondContact NZ-OD1 2.65Å; K120-D124 IonicContact NZ-OD2 2.72Å; K120-D124 PolarHBondContact NZ-OD2 3.1Å; K120-D124 PolarHBondContact O-N 2.9Å
121P94.7Very high94Very high58 Ų5856.2 Ų56.238%0.37730%0.299SS..Hα-helixtrans-70-31.9-175.427-37.5000114.5C20 S117 W118 L123C20-P121 HydrophobicContact CB-CG 3.8Å; S117-P121 WeakPolarHBondContact O-CD 3.16Å; W118-P121 WeakPolarHBondContact O-CD 3.33Å; W118-P121 WeakPolarHBondContact O-CG 3.5Å; P121-L123 PolarHBondContact O-N 3.38Å
122I96.3Very high94Very high0 Ų057 Ų570%030%0.302CS..Hα-helixtrans-54.6-40.5164.4-94.4165.4000110.4L13 S16 L17 C20 L21 F119 K120 G125 N309L13-I122 WeakPolarHBondContact CD1-O 3.2Å; S16-I122 WeakPolarHBondContact O-CD1 3.25Å; S16-I122 WeakPolarHBondContact O-CG1 3.4Å; L17-I122 HydrophobicContact CD1-CD1 3.94Å; C20-I122 HydrophobicContact CB-CD1 4.35Å; C20-I122 HydrophobicContact CB-CG1 4.19Å; L21-I122 HydrophobicContact CB-CD1 3.18Å; L21-I122 HydrophobicContact CD2-CD1 4.04Å; L21-I122 HydrophobicContact CG-CD1 4.25Å; F119-I122 HydrophobicContact CD2-CG2 4.11Å; F119-I122 HydrophobicContact CE2-CG2 4.48Å; F119-I122 WeakPolarHBondContact O-CB 3.46Å; F119-I122 PolarHBondContact O-N 3.09Å; K120-I122 PolarHBondContact O-N 2.73Å; I122-G125 WeakPolarHBondContact O-CA 3.48Å; I122-G125 PolarHBondContact O-N 3.49Å; I122-N309 HydrophobicContact CG2-CB 3.59Å; I122-N309 WeakPolarHBondContact CG2-ND2 3.31Å; I122-N309 VanDerWaalsContact O-O 3.1Å
123L96.6Very high94Very high10 Ų1055.6 Ų55.65%0.05231%0.305CS..Hα-helixtrans-97.1-33.6-153.9-86.3-158.2000111.4F119 K120 P121 G125 N309 S310 A311F119-L123 HydrophobicContact CB-CD1 3.92Å; F119-L123 HydrophobicContact CB-CG 4.35Å; F119-L123 HydrophobicContact CD1-CD1 3.39Å; F119-L123 HydrophobicContact CD1-CG 4.38Å; F119-L123 HydrophobicContact CD2-CD1 3.57Å; F119-L123 HydrophobicContact CD2-CD2 3.91Å; F119-L123 HydrophobicContact CD2-CG 3.65Å; F119-L123 HydrophobicContact CE1-CD1 3.69Å; F119-L123 HydrophobicContact CE2-CD1 3.86Å; F119-L123 HydrophobicContact CE2-CD2 3.74Å; F119-L123 HydrophobicContact CE2-CG 4Å; F119-L123 HydrophobicContact CG-CD1 3.3Å; F119-L123 HydrophobicContact CG-CD2 4.48Å; F119-L123 HydrophobicContact CG-CG 3.84Å; F119-L123 HydrophobicContact CZ-CD1 3.91Å; F119-L123 HydrophobicContact CZ-CD2 4.17Å; F119-L123 HydrophobicContact CZ-CG 4.49Å; F119-L123 WeakPolarHBondContact O-CB 3.23Å; F119-L123 WeakPolarHBondContact O-CG 3.35Å; F119-L123 PolarHBondContact O-N 3.13Å; F119-L123 VanDerWaalsContact O-N 3.12Å; K120-L123 CarbonylContact O-C 3.51Å; K120-L123 WeakPolarHBondContact O-CA 3.4Å; K120-L123 WeakPolarHBondContact O-CB 3.44Å; K120-L123 PolarHBondContact O-N 3.36Å; P121-L123 PolarHBondContact O-N 3.38Å; L123-G125 PolarHBondContact O-N 2.75Å; L123-N309 WeakPolarHBondContact CA-O 3.5Å; L123-N309 HydrophobicContact CD2-CB 4.23Å; L123-S310 VanDerWaalsContact CD2-CA 3.41Å; L123-S310 WeakPolarHBondContact O-CA 3.38Å; L123-S310 WeakPolarHBondContact O-CB 3.38Å; L123-A311 CarbonylContact C-O 3.32Å; L123-A311 VanDerWaalsContact C-O 3.32Å; L123-A311 HydrophobicContact CB-CB 3.66Å; L123-A311 HydrophobicContact CD1-CB 3.27Å; L123-A311 HydrophobicContact CG-CB 4.04Å; L123-A311 PolarHBondContact O-N 2.72Å
124D95.4Very high93.9Very high56 Ų5655.6 Ų55.630%0.29931%0.313SS..Hα-helixtrans-54.2-15.6157.8-61.3-35000111.9K120 S128K120-D124 WeakPolarHBondContact CE-OD2 3.48Å; K120-D124 WeakPolarHBondContact CG-OD2 3.44Å; K120-D124 IonicContact NZ-OD1 3.96Å; K120-D124 PolarHBondContact NZ-OD1 2.65Å; K120-D124 IonicContact NZ-OD2 2.72Å; K120-D124 PolarHBondContact NZ-OD2 3.1Å; K120-D124 PolarHBondContact O-N 2.9Å; D124-S128 PolarHBondContact O-N 3.19Å
125G95.1Very high93.9Very high19 Ų1954.1 Ų54.120%0.19630%0.304CS..Hα-helixtrans-70.9-56.8-179.600000116.1I122 L123 L127 S128 L129I122-G125 WeakPolarHBondContact O-CA 3.48Å; I122-G125 PolarHBondContact O-N 3.49Å; L123-G125 PolarHBondContact O-N 2.75Å; G125-L127 VanDerWaalsContact C-N 3.33Å; G125-L127 PolarHBondContact O-N 2.95Å; G125-S128 CarbonylContact O-C 3.57Å; G125-S128 WeakPolarHBondContact O-CA 3.45Å; G125-S128 WeakPolarHBondContact O-CB 3.49Å; G125-S128 PolarHBondContact O-N 3.03Å; G125-L129 PolarHBondContact O-N 3.04Å
126E95.3Very high93.9Very high56 Ų5654 Ų5426%0.26231%0.305SS..Hα-helixtrans-71.5-22.8175.6144.9-159.9-90.500113.2L13 S128 L129 M130 Q308 N309 S310L13-E126 HydrophobicContact CD2-CB 3.81Å; E126-S128 PolarHBondContact O-N 2.85Å; E126-L129 HydrophobicContact CB-CB 4.21Å; E126-L129 HydrophobicContact CB-CD2 4.48Å; E126-L129 CarbonylContact O-C 3.55Å; E126-L129 WeakPolarHBondContact O-CA 3.34Å; E126-L129 WeakPolarHBondContact O-CB 3.31Å; E126-L129 PolarHBondContact O-N 3.13Å; E126-M130 HydrophobicContact CG-CG 3.85Å; E126-M130 HydrophobicContact CG-SD 3.97Å; E126-M130 WeakPolarHBondContact O-CB 3.33Å; E126-M130 VanDerWaalsContact O-CG 3.24Å; E126-M130 WeakPolarHBondContact O-CG 3.43Å; E126-M130 PolarHBondContact O-N 3.22Å; E126-Q308 WeakPolarHBondContact CB-O 3.3Å; E126-N309 VanDerWaalsContact CB-O 3.28Å; E126-N309 WeakPolarHBondContact CB-O 3.49Å; E126-N309 PolarHBondContact N-O 2.62Å; E126-S310 WeakPolarHBondContact CG-OG 3.34Å; E126-S310 WeakPolarHBondContact OE2-CA 3.13Å; E126-S310 WeakPolarHBondContact OE2-CB 3.27Å; E126-S310 PolarHBondContact OE2-N 2.83Å; E126-S310 PolarHBondContact OE2-OG 2.96Å
127L95.6Very high93.9Very high60 Ų6055 Ų5531%0.31430%0.304SS..Hα-helixtrans-54.6-44.6164.7178.976.8000110.1G125 L129 M130 H131 G312G125-L127 VanDerWaalsContact C-N 3.33Å; G125-L127 PolarHBondContact O-N 2.95Å; L127-L129 VanDerWaalsContact C-N 3.31Å; L127-L129 PolarHBondContact O-N 3.44Å; L127-M130 PolarHBondContact O-N 3.44Å; L127-H131 PolarHBondContact O-N 3.43Å; L127-G312 VanDerWaalsContact CB-O 3.32Å; L127-G312 WeakPolarHBondContact CB-O 3.36Å; L127-G312 WeakPolarHBondContact CD1-O 3.37Å; L127-G312 WeakPolarHBondContact CD2-O 3.47Å; L127-G312 WeakPolarHBondContact CG-O 3.46Å
128S92.7Very high93.8Very high50 Ų5057.3 Ų57.335%0.3531%0.306SS..Hα-helixtrans-67.4-29.6176.5-136.40000112.8R9 D124 G125 E126R9-S128 VanDerWaalsContact CZ-O 3.31Å; R9-S128 PolarHBondContact NH1-O 2.88Å; R9-S128 PolarHBondContact NH1-OG 3.47Å; D124-S128 PolarHBondContact O-N 3.19Å; G125-S128 CarbonylContact O-C 3.57Å; G125-S128 WeakPolarHBondContact O-CA 3.45Å; G125-S128 WeakPolarHBondContact O-CB 3.49Å; G125-S128 PolarHBondContact O-N 3.03Å; E126-S128 PolarHBondContact O-N 2.85Å
129L93.9Very high93.7Very high23 Ų2358.1 Ų58.112%0.1231%0.313CS..Hα-helixtrans-71.5-50.9173-171.169.8000111.5I6 R9 L10 L13 G125 E126 L127 H131 E132 A133I6-L129 HydrophobicContact CG2-CD1 3.81Å; I6-L129 WeakPolarHBondContact O-CD1 3.41Å; R9-L129 HydrophobicContact CB-CD1 3.54Å; L10-L129 HydrophobicContact CD1-CD2 4.09Å; L13-L129 HydrophobicContact CD2-CB 4.39Å; L13-L129 HydrophobicContact CD2-CD2 3.97Å; G125-L129 PolarHBondContact O-N 3.04Å; E126-L129 HydrophobicContact CB-CB 4.21Å; E126-L129 HydrophobicContact CB-CD2 4.48Å; E126-L129 CarbonylContact O-C 3.55Å; E126-L129 WeakPolarHBondContact O-CA 3.34Å; E126-L129 WeakPolarHBondContact O-CB 3.31Å; E126-L129 PolarHBondContact O-N 3.13Å; L127-L129 VanDerWaalsContact C-N 3.31Å; L127-L129 PolarHBondContact O-N 3.44Å; L129-H131 VanDerWaalsContact C-N 3.27Å; L129-H131 PolarHBondContact O-N 2.9Å; L129-E132 PolarHBondContact O-N 3.43Å; L129-A133 PolarHBondContact O-N 3.13Å
130M93.5Very high93.7Very high113 Ų11358.2 Ų58.256%0.55732%0.319SS*.Hα-helixtrans-56-40.6177.1-70.1174.480.900111.4E126 L127 E132 A133 G134E126-M130 HydrophobicContact CG-CG 3.85Å; E126-M130 HydrophobicContact CG-SD 3.97Å; E126-M130 WeakPolarHBondContact O-CB 3.33Å; E126-M130 VanDerWaalsContact O-CG 3.24Å; E126-M130 WeakPolarHBondContact O-CG 3.43Å; E126-M130 PolarHBondContact O-N 3.22Å; L127-M130 PolarHBondContact O-N 3.44Å; M130-E132 VanDerWaalsContact C-N 3.31Å; M130-E132 PolarHBondContact O-N 2.98Å; M130-A133 PolarHBondContact O-N 3.26Å; M130-G134 PolarHBondContact O-N 2.99Å
131H92.9Very high93.7Very high107 Ų10756.3 Ų56.350%0.49531%0.314SS..Hα-helixtrans-58.9-38.9176.1179.269.7000112.9L127 L129 Q135L127-H131 PolarHBondContact O-N 3.43Å; L129-H131 VanDerWaalsContact C-N 3.27Å; L129-H131 PolarHBondContact O-N 2.9Å; H131-Q135 PolarHBondContact CD2-NE2 3.3Å; H131-Q135 PolarHBondContact NE2-NE2 3.32Å
132E90.8Very high93.7Very high24 Ų2457 Ų5711%0.11231%0.313CS..Hα-helixtrans-89.6-18.7177-71.3-152.5-145.200114.4S5 I6 R9 L129 M130 Q135S5-E132 VanDerWaalsContact CB-OE2 3.27Å; S5-E132 WeakPolarHBondContact CB-OE2 3.38Å; S5-E132 PolarHBondContact OG-OE2 3.27Å; I6-E132 HydrophobicContact CG1-CB 4.33Å; R9-E132 IonicContact CZ-OE1 3.76Å; R9-E132 VanDerWaalsContact CZ-OE1 3.24Å; R9-E132 IonicContact NE-OE1 2.73Å; R9-E132 PolarHBondContact NE-OE1 3.03Å; R9-E132 IonicContact NE-OE2 2.96Å; R9-E132 IonicContact NH2-OE1 2.71Å; R9-E132 PolarHBondContact NH2-OE1 2.95Å; L129-E132 PolarHBondContact O-N 3.43Å; M130-E132 VanDerWaalsContact C-N 3.31Å; M130-E132 PolarHBondContact O-N 2.98Å; E132-Q135 PolarHBondContact O-N 3.37Å
133A91Very high93.5Very high46 Ų4662 Ų6238%0.3834%0.339SS..Hα-helixtrans-63.3-42.8161.500000110.8L129 M130 Q135 I136L129-A133 PolarHBondContact O-N 3.13Å; M130-A133 PolarHBondContact O-N 3.26Å; A133-Q135 PolarHBondContact O-N 3.5Å; A133-I136 VanDerWaalsContact O-CB 3.27Å; A133-I136 WeakPolarHBondContact O-CB 3.5Å; A133-I136 PolarHBondContact O-N 3.49Å
134G92.2Very high93.4Very high48 Ų4865.1 Ų65.150%0.49536%0.361SS..Hα-helixtrans-59.3-30.717500000113.8M130 I136 Q137M130-G134 PolarHBondContact O-N 2.99Å; G134-I136 PolarHBondContact O-N 3.15Å; G134-I136 VanDerWaalsContact O-N 3.15Å; G134-Q137 WeakPolarHBondContact O-CB 3.42Å; G134-Q137 PolarHBondContact O-N 3.35Å; G134-Q137 VanDerWaalsContact O-N 3.09Å
135Q91.6Very high93.2Very high38 Ų3870.7 Ų70.718%0.17838%0.378CS..Hα-helixtrans-69.9-2.6173.9-65.4173.318.100114H131 E132 A133H131-Q135 PolarHBondContact CD2-NE2 3.3Å; H131-Q135 PolarHBondContact NE2-NE2 3.32Å; E132-Q135 PolarHBondContact O-N 3.37Å; A133-Q135 PolarHBondContact O-N 3.5Å
136I93.4Very high92.9Very high47 Ų4776.8 Ų76.824%0.24140%0.401CS..Hα-helixtrans-74.8-33167-65.7178.7000110.8I6 A133 G134 E138 L139 V140I6-I136 HydrophobicContact CD1-CD1 3.54Å; I6-I136 HydrophobicContact CD1-CG1 4.04Å; A133-I136 VanDerWaalsContact O-CB 3.27Å; A133-I136 WeakPolarHBondContact O-CB 3.5Å; A133-I136 PolarHBondContact O-N 3.49Å; G134-I136 PolarHBondContact O-N 3.15Å; G134-I136 VanDerWaalsContact O-N 3.15Å; I136-E138 PolarHBondContact O-N 3.34Å; I136-L139 WeakPolarHBondContact O-CA 3.27Å; I136-L139 WeakPolarHBondContact O-CB 3.34Å; I136-L139 PolarHBondContact O-N 2.73Å; I136-V140 HydrophobicContact CG2-CG2 3.98Å; I136-V140 PolarHBondContact O-N 2.72Å
137Q92.6Very high92.6Very high110 Ų11078 Ų7851%0.51442%0.416SS..Hα-helixtrans-58.7-47.6-177.1-171.861.55300111.6G134 L139 V140 D141G134-Q137 WeakPolarHBondContact O-CB 3.42Å; G134-Q137 PolarHBondContact O-N 3.35Å; G134-Q137 VanDerWaalsContact O-N 3.09Å; Q137-L139 PolarHBondContact O-N 2.86Å; Q137-V140 WeakPolarHBondContact O-CB 3.32Å; Q137-V140 PolarHBondContact O-N 3.42Å; Q137-D141 PolarHBondContact NE2-OD1 3.3Å; Q137-D141 PolarHBondContact O-N 2.96Å
138E91.7Very high92.3Very high125 Ų12579 Ų7958%0.58443%0.433SS*.Hα-helixtrans-55.6-35.7174.9-175.4-172.3-162.800112.8I136 M142I136-E138 PolarHBondContact O-N 3.34Å; E138-M142 WeakPolarHBondContact O-CB 3.47Å; E138-M142 PolarHBondContact O-N 2.84Å
139L93.6Very high92.1Very high57 Ų5780.5 Ų80.530%0.29844%0.437SS..Hα-helixtrans-74.2-37.7175.6-67-172.4000112.5R2 I136 Q137 M142 L143R2-L139 HydrophobicContact CB-CD1 4.14Å; R2-L139 HydrophobicContact CG-CD1 3.47Å; R2-L139 VanDerWaalsContact CG-CD1 3.47Å; R2-L139 HydrophobicContact CG-CG 4.4Å; I136-L139 WeakPolarHBondContact O-CA 3.27Å; I136-L139 WeakPolarHBondContact O-CB 3.34Å; I136-L139 PolarHBondContact O-N 2.73Å; Q137-L139 PolarHBondContact O-N 2.86Å; L139-M142 HydrophobicContact CD2-CE 3.71Å; L139-M142 PolarHBondContact O-N 2.71Å; L139-L143 WeakPolarHBondContact O-CB 3.32Å; L139-L143 VanDerWaalsContact O-CG 3.23Å; L139-L143 WeakPolarHBondContact O-CG 3.14Å; L139-L143 PolarHBondContact O-N 2.7Å
140V94.6Very high92Very high60 Ų6084.4 Ų84.436%0.36446%0.464SS..Hα-helixtrans-62.3-49173.4173.50000109.4I136 Q137 M142 L143 C144I136-V140 HydrophobicContact CG2-CG2 3.98Å; I136-V140 PolarHBondContact O-N 2.72Å; Q137-V140 WeakPolarHBondContact O-CB 3.32Å; Q137-V140 PolarHBondContact O-N 3.42Å; V140-M142 PolarHBondContact O-N 3.06Å; V140-L143 PolarHBondContact O-N 3.09Å; V140-L143 VanDerWaalsContact O-N 3.16Å; V140-C144 WeakPolarHBondContact O-CB 3.37Å; V140-C144 PolarHBondContact O-N 3.42Å; V140-C144 PolarHBondContact O-SG 2.92Å
141D94.8Very high91.7Very high76 Ų7689.2 Ų89.241%0.40648%0.477SS..Hα-helixtrans-62.1-30178.3-57.1-20.5000112.4Q137 R145Q137-D141 PolarHBondContact NE2-OD1 3.3Å; Q137-D141 PolarHBondContact O-N 2.96Å; D141-R145 VanDerWaalsContact O-CG 3.31Å; D141-R145 WeakPolarHBondContact O-CG 3.36Å; D141-R145 PolarHBondContact O-N 2.91Å; D141-R145 PolarHBondContact O-NE 2.97Å
142M93.6Very high91.5Very high72 Ų7288.5 Ų88.536%0.35548%0.481SS..Hα-helixtrans-75.9-45.1172.8-175.3170.465.700112.7E138 L139 V140 R145 Q146E138-M142 WeakPolarHBondContact O-CB 3.47Å; E138-M142 PolarHBondContact O-N 2.84Å; L139-M142 HydrophobicContact CD2-CE 3.71Å; L139-M142 PolarHBondContact O-N 2.71Å; V140-M142 PolarHBondContact O-N 3.06Å; M142-R145 PolarHBondContact O-N 3.11Å; M142-Q146 WeakPolarHBondContact O-CG 3.32Å; M142-Q146 PolarHBondContact O-N 2.87Å
143L93.6Very high91.2Very high106 Ų10692 Ų9256%0.55550%0.5SS*.Hα-helixtrans-62-46.8177.8-73.8167000110.9L139 V140 R145 Q146 S147L139-L143 WeakPolarHBondContact O-CB 3.32Å; L139-L143 VanDerWaalsContact O-CG 3.23Å; L139-L143 WeakPolarHBondContact O-CG 3.14Å; L139-L143 PolarHBondContact O-N 2.7Å; V140-L143 PolarHBondContact O-N 3.09Å; V140-L143 VanDerWaalsContact O-N 3.16Å; L143-R145 VanDerWaalsContact C-N 3.27Å; L143-R145 PolarHBondContact O-N 3.17Å; L143-Q146 CarbonylContact O-C 3.57Å; L143-Q146 PolarHBondContact O-N 3.13Å; L143-S147 PolarHBondContact O-N 2.84Å; L143-S147 PolarHBondContact O-OG 3.43Å
144C94.5Very high91Very high75 Ų7593.8 Ų93.851%0.50751%0.507SS..Hα-helixtrans-58.5-36.4176.7-68.90000112.8V140 A148V140-C144 WeakPolarHBondContact O-CB 3.37Å; V140-C144 PolarHBondContact O-N 3.42Å; V140-C144 PolarHBondContact O-SG 2.92Å; C144-A148 PolarHBondContact O-N 2.88Å
145R90.4Very high90.7Very high173 Ų17398.9 Ų98.965%0.65352%0.52SS*.Hα-helixtrans-71.5-36.2173.5-75.1179-64.5128.1-6.3112.9D141 M142 L143 S147D141-R145 VanDerWaalsContact O-CG 3.31Å; D141-R145 WeakPolarHBondContact O-CG 3.36Å; D141-R145 PolarHBondContact O-N 2.91Å; D141-R145 PolarHBondContact O-NE 2.97Å; M142-R145 PolarHBondContact O-N 3.11Å; L143-R145 VanDerWaalsContact C-N 3.27Å; L143-R145 PolarHBondContact O-N 3.17Å; R145-S147 VanDerWaalsContact C-N 3.32Å
146Q88.3Confident90.5Very high146 Ų146100.7 Ų100.768%0.68254%0.541SS*.Hα-helixtrans-74.6-21177.3-73.2-178.3-35.800113.3M142 L143M142-Q146 WeakPolarHBondContact O-CG 3.32Å; M142-Q146 PolarHBondContact O-N 2.87Å; L143-Q146 CarbonylContact O-C 3.57Å; L143-Q146 PolarHBondContact O-N 3.13Å
147S89.9Confident90.3Very high83 Ų83101 Ų10158%0.5855%0.547SS*.THydrogen-bonded Turntrans-108.218176.872.70000113.8L143 R145L143-S147 PolarHBondContact O-N 2.84Å; L143-S147 PolarHBondContact O-OG 3.43Å; R145-S147 VanDerWaalsContact C-N 3.32Å
148A89.4Confident90.3Very high80 Ų80100.6 Ų100.666%0.66155%0.545SS*.SBendtrans-70.5-33.2-170.900000114C144C144-A148 PolarHBondContact O-N 2.88Å
149D88.6Confident90.2Very high81 Ų8196.9 Ų96.943%0.43354%0.537SS..  trans-134.5111171.9178.73.2000109Y151 T152D149-Y151 VanDerWaalsContact C-N 3.34Å; D149-Y151 PolarHBondContact OD1-N 3.35Å; D149-T152 PolarHBondContact OD1-N 3.29Å; D149-T152 WeakPolarHBondContact OD2-CB 3.21Å; D149-T152 PolarHBondContact OD2-OG1 3.23Å
150P90.1Very high90.1Very high106 Ų10698.2 Ų98.269%0.68855%0.547SS*.SBendtrans-84.8-3.8178.835.1-35.4000113.9
151Y88.5Confident89.7Confident214 Ų21499.1 Ų99.184%0.83955%0.549SS*.SBendtrans-101.4-22.2-176.4-59.6-69.3000113.3D149D149-Y151 VanDerWaalsContact C-N 3.34Å; D149-Y151 PolarHBondContact OD1-N 3.35Å
152T87.4Confident89.4Confident92 Ų92100.2 Ų100.256%0.56456%0.558SS**SBendtrans-87.4128.5170.9-61.90000110.8D149D149-T152 PolarHBondContact OD1-N 3.29Å; D149-T152 WeakPolarHBondContact OD2-CB 3.21Å; D149-T152 PolarHBondContact OD2-OG1 3.23Å
153L84.4Confident89.1Confident98 Ų98101.9 Ų101.951%0.51357%0.568SS.*PPolyproline II helixtrans-69.6133.8174.5-73.2174.2000110.8E158 I161L153-E158 HydrophobicContact CB-CG 4.09Å; L153-I161 HydrophobicContact CD1-CD1 4.2Å
154P87.1Confident88.5Confident82 Ų82100.8 Ų100.853%0.53257%0.566SS.*PPolyproline II helixtrans-61.8140.5169.5-22.934.1000111.2A156 S157 E158P154-A156 PolarHBondContact O-N 3.04Å; P154-S157 WeakPolarHBondContact O-CA 3.16Å; P154-S157 VanDerWaalsContact O-CB 3.28Å; P154-S157 WeakPolarHBondContact O-CB 3.42Å; P154-S157 PolarHBondContact O-N 3.34Å; P154-E158 PolarHBondContact O-N 3.47Å
155M87.3Confident87.8Confident155 Ų155104.3 Ų104.376%0.76457%0.572SS**Hα-helixtrans-51.6-30.1179.3-175.6-175.4-70.700113.9E158 A159M155-E158 PolarHBondContact O-N 2.94Å; M155-A159 PolarHBondContact O-N 3Å
156A87.2Confident87.2Confident76 Ų7699.3 Ų99.363%0.62858%0.575SS**Hα-helixtrans-65.9-34.7174.100000113.1P154 V160P154-A156 PolarHBondContact O-N 3.04Å; A156-V160 WeakPolarHBondContact O-CG2 3.09Å; A156-V160 PolarHBondContact O-N 2.71Å
157S89.5Confident86.2Confident53 Ų5395.8 Ų95.837%0.37156%0.56SS.*Hα-helixtrans-72.3-37.7172.7-56.50000111.5P154 V160 I161P154-S157 WeakPolarHBondContact O-CA 3.16Å; P154-S157 VanDerWaalsContact O-CB 3.28Å; P154-S157 WeakPolarHBondContact O-CB 3.42Å; P154-S157 PolarHBondContact O-N 3.34Å; S157-V160 PolarHBondContact O-N 3.27Å; S157-I161 WeakPolarHBondContact O-CG1 3.34Å; S157-I161 PolarHBondContact O-N 2.83Å
158E91.9Very high84.9Confident102 Ų10299.7 Ų99.748%0.47757%0.57SS.*Hα-helixtrans-63.3-42.9175.1-59.1-171.9126.700112L153 P154 M155 V160 I161 V162L153-E158 HydrophobicContact CB-CG 4.09Å; P154-E158 PolarHBondContact O-N 3.47Å; M155-E158 PolarHBondContact O-N 2.94Å; E158-V160 PolarHBondContact O-N 3.18Å; E158-I161 WeakPolarHBondContact O-CB 3.05Å; E158-I161 PolarHBondContact O-N 3.27Å; E158-I161 VanDerWaalsContact O-N 3.12Å; E158-V162 PolarHBondContact O-N 3.43Å; E158-V162 VanDerWaalsContact O-N 3.16Å
159A90.2Very high83.6Confident48 Ų48103.5 Ų103.540%0.39758%0.579SS.*Hα-helixtrans-58.2-44.7177.400000112.5M155 I161 V162 D163M155-A159 PolarHBondContact O-N 3Å; A159-I161 VanDerWaalsContact C-N 3.28Å; A159-I161 PolarHBondContact O-N 3.04Å; A159-V162 WeakPolarHBondContact O-CB 3.34Å; A159-V162 PolarHBondContact O-N 3.02Å; A159-D163 PolarHBondContact O-N 3.2Å
160V90Very high82.3Confident85 Ų85104.8 Ų104.852%0.51559%0.59SS.*Hα-helixtrans-62.2-34.9176.8174.80000111.9A156 S157 E158 V162 D163 V164A156-V160 WeakPolarHBondContact O-CG2 3.09Å; A156-V160 PolarHBondContact O-N 2.71Å; S157-V160 PolarHBondContact O-N 3.27Å; E158-V160 PolarHBondContact O-N 3.18Å; V160-V162 VanDerWaalsContact C-N 3.28Å; V160-V162 PolarHBondContact O-N 3.29Å; V160-D163 PolarHBondContact O-N 3.12Å; V160-V164 HydrophobicContact CG1-CG2 4.28Å; V160-V164 WeakPolarHBondContact O-CB 3.36Å; V160-V164 VanDerWaalsContact O-CG2 3.3Å; V160-V164 WeakPolarHBondContact O-CG2 3.41Å; V160-V164 PolarHBondContact O-N 3.18Å
161I87.6Confident80.8Confident78 Ų78109 Ų10940%0.459%0.592SS.*Hα-helixtrans-67-30.5175.4-65.9164.9000111.4L153 S157 E158 A159 K165L153-I161 HydrophobicContact CD1-CD1 4.2Å; S157-I161 WeakPolarHBondContact O-CG1 3.34Å; S157-I161 PolarHBondContact O-N 2.83Å; E158-I161 WeakPolarHBondContact O-CB 3.05Å; E158-I161 PolarHBondContact O-N 3.27Å; E158-I161 VanDerWaalsContact O-N 3.12Å; A159-I161 VanDerWaalsContact C-N 3.28Å; A159-I161 PolarHBondContact O-N 3.04Å; I161-K165 WeakPolarHBondContact O-CD 3.09Å; I161-K165 VanDerWaalsContact O-CG 3.28Å; I161-K165 WeakPolarHBondContact O-CG 3.33Å
162V88.4Confident79.3Confident99 Ų99109.5 Ų109.560%0.659%0.592SS**Hα-helixtrans-74.1-48173.6177.50000110.8E158 A159 V160 V164 K165 G166E158-V162 PolarHBondContact O-N 3.43Å; E158-V162 VanDerWaalsContact O-N 3.16Å; A159-V162 WeakPolarHBondContact O-CB 3.34Å; A159-V162 PolarHBondContact O-N 3.02Å; V160-V162 VanDerWaalsContact C-N 3.28Å; V160-V162 PolarHBondContact O-N 3.29Å; V162-V164 PolarHBondContact O-N 2.81Å; V162-K165 PolarHBondContact O-N 2.93Å; V162-G166 PolarHBondContact O-N 3.5Å
163D87.1Confident78.1Confident108 Ų108114.7 Ų114.758%0.57861%0.608SS**Hα-helixtrans-61.3-42.5-178.2-73.3-21000112.6A159 V160 K165 G166A159-D163 PolarHBondContact O-N 3.2Å; V160-D163 PolarHBondContact O-N 3.12Å; D163-K165 VanDerWaalsContact C-N 3.31Å; D163-K165 PolarHBondContact O-N 3.34Å; D163-G166 WeakPolarHBondContact O-CA 3.17Å; D163-G166 PolarHBondContact O-N 2.77Å
164V80.8Confident76.6Confident83 Ų83118 Ų11850%0.50362%0.62SS.*Hα-helixtrans-63.5-36.6178.2171.40000111.7V160 V162 G166 L167V160-V164 HydrophobicContact CG1-CG2 4.28Å; V160-V164 WeakPolarHBondContact O-CB 3.36Å; V160-V164 VanDerWaalsContact O-CG2 3.3Å; V160-V164 WeakPolarHBondContact O-CG2 3.41Å; V160-V164 PolarHBondContact O-N 3.18Å; V162-V164 PolarHBondContact O-N 2.81Å; V164-G166 PolarHBondContact O-N 2.87Å; V164-L167 PolarHBondContact O-N 3.09Å; V164-L167 VanDerWaalsContact O-N 3.11Å
165K80.4Confident74.9Confident148 Ų148120 Ų12064%0.64363%0.631SS**Hα-helixtrans-67.7-16.6174-70.6171.7-175.7175.90113.1I161 V162 D163I161-K165 WeakPolarHBondContact O-CD 3.09Å; I161-K165 VanDerWaalsContact O-CG 3.28Å; I161-K165 WeakPolarHBondContact O-CG 3.33Å; V162-K165 PolarHBondContact O-N 2.93Å; D163-K165 VanDerWaalsContact C-N 3.31Å; D163-K165 PolarHBondContact O-N 3.34Å
166G76.6Confident73.3Confident69 Ų69117.8 Ų117.871%0.71163%0.629SS**THydrogen-bonded Turntrans-83.2-6.6171.700000114.9V162 D163 V164V162-G166 PolarHBondContact O-N 3.5Å; D163-G166 WeakPolarHBondContact O-CA 3.17Å; D163-G166 PolarHBondContact O-N 2.77Å; V164-G166 PolarHBondContact O-N 2.87Å
167L67Low71.9Confident71 Ų71119.3 Ų119.337%0.37263%0.632SS.*  trans-116.814.1-164.1-86.5163.9000115.3V164 N169 T170V164-L167 PolarHBondContact O-N 3.09Å; V164-L167 VanDerWaalsContact O-N 3.11Å; L167-N169 PolarHBondContact O-N 2.68Å; L167-T170 PolarHBondContact O-N 2.57Å
168E64.4Low70Confident165 Ų165122.5 Ų122.577%0.77165%0.654SS**THydrogen-bonded Turntrans-53.2-24.6-168.5-61.7-170140.200115.8
169N60.5Low68Low161 Ų161123.2 Ų123.286%0.86167%0.67SS**THydrogen-bonded Turntrans-95.8-6.6-177.9-74.4-32.5000115.3L167L167-N169 PolarHBondContact O-N 2.68Å
170T62.5Low65.9Low107 Ų107127.4 Ų127.466%0.65669%0.694SS**THydrogen-bonded Turntrans-104.3-24.4-172-52.80000113.7L167 R172L167-T170 PolarHBondContact O-N 2.57Å; T170-R172 PolarHBondContact O-N 2.87Å; T170-R172 VanDerWaalsContact O-N 3.08Å
171W58.4Low63.8Low194 Ų194126.9 Ų126.974%0.73571%0.705SS**  trans-8383.8-179.7-75.781.2000112.5
172R56.7Low61.7Low225 Ų225128.6 Ų128.685%0.84973%0.725SS**  trans-128.3125.5161.8-69.8-168.4178.5-164.90.2110.8T170 Q174T170-R172 PolarHBondContact O-N 2.87Å; T170-R172 VanDerWaalsContact O-N 3.08Å; R172-Q174 PolarHBondContact O-N 3.29Å
173F62.1Low59.8Low202 Ų202128.4 Ų128.489%0.88673%0.728SS**  trans-61.8103.3169.8-76.9-94.8000109.5T175F173-T175 PolarHBondContact O-N 3.05Å; F173-T175 VanDerWaalsContact O-N 3.12Å
174Q52.1Low58.4Low167 Ų167134 Ų13478%0.7874%0.742SS**  trans-88.774.4-174-165.9178.85.500112.1R172R172-Q174 PolarHBondContact O-N 3.29Å
175T52.9Low56.7Low124 Ų124134.1 Ų134.176%0.76176%0.76SS**PPolyproline II helixtrans-67.2126.5148.6-49.70000106.9F173F173-T175 PolarHBondContact O-N 3.05Å; F173-T175 VanDerWaalsContact O-N 3.12Å
176P52.9Low55.3Low109 Ų109132.3 Ų132.371%0.70877%0.766SS**PPolyproline II helixtrans-56.5144.3-171.3-30.237.3000114.4
177P58.7Low53.9Low108 Ų108140.8 Ų140.870%0.70178%0.776SS**PPolyproline II helixtrans-85.9145.6-157.732.9-37.2000114.9S179P177-S179 PolarHBondContact O-N 3.35Å
178S49.3Very low52.9Low120 Ų120146 Ų14684%0.83980%0.796SS**PPolyproline II helixtrans-74.6116.6167.2-56.90000111.7
179S49.1Very low51.6Low116 Ų116141.4 Ų141.481%0.81178%0.782SS**  trans26.894.5155.7-55.90000118.8P177P177-S179 PolarHBondContact O-N 3.35Å
180P45.7Very low50.5Low136 Ų136138 Ų13888%0.88377%0.771SS**  trans-76.7125169.931.2-32.5000111.4
181G46.6Very low49.4Very low74 Ų74141.3 Ų141.376%0.76378%0.776SS**  trans-134.5120.4-175.800000113.9
182S42.8Very low48.3Very low115 Ų115137.2 Ų137.280%0.80478%0.777SS**  trans-41.2149.3165-153.10000112.6
183S50.3Low47.4Very low95 Ų95131.8 Ų131.866%0.66477%0.773SS**  cis-163.1160.341.1-164.80000115
184Y56.8Low46.6Very low226 Ų226130 Ų13089%0.88677%0.772SS**  trans9.5105.3156.6-80.7-101.2000117.7
185G45.5Very low45.6Very low84 Ų84128.1 Ų128.187%0.86677%0.772SS**  trans-77.9173.8-178.200000115.5
186S49.5Very low44.6Very low111 Ų111128 Ų12878%0.77678%0.776SS**  trans-138.1136168.5-172.40000109.7K188S186-K188 PolarHBondContact O-N 3Å
187R48.4Very low43.6Very low247 Ų247125.9 Ų125.993%0.93277%0.774SS**  trans-90.696.4-180-72-177.2173.8-150.1-0.5110.3
188K45.2Very low42.3Very low181 Ų181128.8 Ų128.879%0.78778%0.783SS**  trans-168.1148.1168-103152.7174.4-69.30109.3S186S186-K188 PolarHBondContact O-N 3Å
189S37.4Very low41.5Very low68 Ų68128.9 Ų128.948%0.47678%0.783SS.*  cis-179.2118.5-24.843.70000105.9F191S189-F191 WeakPolarHBondContact O-CE2 3.44Å
190S38.5Very low40.7Very low90 Ų90126.3 Ų126.363%0.62978%0.775SS**  trans55.2-177.5-168.130.40000111
191F38.8Very low40Very low175 Ų175128.4 Ų128.477%0.76877%0.77SS**  cis-134.1136.213.4-60.8-96.2000108.2S189S189-F191 WeakPolarHBondContact O-CE2 3.44Å
192C35Very low39.3Very low109 Ų109131 Ų13174%0.73676%0.763SS**  67.274.958.3-590000112.8
193S38.7Very low38.7Very low110 Ų110132.4 Ų132.477%0.76976%0.756SS**  trans-173.5133.8155.4-800000107.3
194L45.2Very low37.8Very low166 Ų166133.7 Ų133.787%0.86976%0.755SS**  cis-123113.94.8-66168.9000111
195T31.5Very low36.5Very low127 Ų127129.6 Ų129.678%0.77975%0.754SS**  trans-94.9139151.447.20000108.5
196S29.8Very low35.7Very low121 Ų121129.5 Ų129.585%0.84675%0.745SS**  trans73141.8162.8-480000118.1
197G32.4Very low34.9Very low64 Ų64130.9 Ų130.966%0.6675%0.749SS**  trans75.7135.3169.800000115
198D31.8Very low34Very low169 Ų169122.8 Ų122.890%0.90474%0.735SS**  cis-144.4159.9-12.7-74.5-55.5000106
199C32.9Very low33.5Very low122 Ų122121.9 Ų121.982%0.82474%0.737SS**  cis-139.2167.911.147.60000108.1
200G31.4Very low33.4Very low63 Ų63123.9 Ų123.965%0.64975%0.746SS**  cis114.4102.812.500000110
201F30.7Very low33.4Very low179 Ų179127.1 Ų127.179%0.78575%0.751SS**  trans71.2121.4172.8-92.5-117.8000115.9
202H32.5Very low33.1Very low130 Ų130127 Ų12760%0.60275%0.753SS**  64.9110.896.5-81.4-126.2000112.3
203Q31.1Very low33.1Very low144 Ų144127.4 Ų127.467%0.67375%0.752SS**  84.9131.483.9-167.3-163.986.900111
204N30.3Very low32.7Very low121 Ų121125.8 Ų125.865%0.64775%0.745SS**  trans87.5125.3173.8-47.5-62.3000117.7
205V29Very low32Very low141 Ų141124 Ų12486%0.85574%0.737SS**  trans63.7155.3144.4-58.10000122.8
206A29.8Very low32Very low82 Ų82124.3 Ų124.368%0.67873%0.731SS**  trans79.7103.5157.200000119.8
207T31.5Very low32Very low139 Ų139125.1 Ų125.185%0.85373%0.726SS**  28.2137.7121.635.30000120.5
208A31.2Very low31.9Very low78 Ų78128.4 Ų128.465%0.64573%0.733SS**  cis-165175.55.800000112.5
209I34.6Very low31.8Very low161 Ų161127 Ų12783%0.82673%0.73SS**  trans72121.6163.6-58.3167.5000113
210T34Very low31.9Very low110 Ų110125.2 Ų125.268%0.67573%0.732SS**SBendcis-135.6144.913.3-90.50000111.6
211Q38.9Very low32Very low158 Ų158129.9 Ų129.974%0.73874%0.736SS**  trans29.8113.5160.8-69.8150.2-900119
212Q33.5Very low32Very low173 Ų173129.9 Ų129.981%0.80874%0.736SS**  63.1137.870.2-67.9-169.9-30.500113.3
213V34Very low32.1Very low117 Ų117130.4 Ų130.471%0.70974%0.744SS**  cis-158.1141.8-3.7116.70000104.7
214A31.2Very low32.1Very low76 Ų76129.6 Ų129.663%0.62875%0.754SS**  54.1160.876.300000112.7
215D29.1Very low32.3Very low128 Ų128128.3 Ų128.368%0.68476%0.76SS**  cis-160.7-178.2-20.3-142.4-41.9000107.8
216M32.7Very low32.4Very low135 Ų135131.1 Ų131.167%0.66576%0.756SS**  trans69.4129.8169.4-56.3-56.4142.600116.1
217N29.2Very low32.7Very low138 Ų138135.8 Ų135.874%0.73876%0.757SS**  60.1120.861.8-71.1-43.8000114.2
218V30.7Very low32.9Very low133 Ų133135.6 Ų135.681%0.80676%0.756SS**  -172.6121.7110.5145.60000110.7
219V28.5Very low33Very low140 Ų140135 Ų13585%0.84876%0.758SS**  trans33.5114.5148.5-169.50000119.4
220G36.2Very low32.9Very low83 Ų83133.5 Ų133.586%0.85676%0.759SS**  trans-157.783.5166.700000112.2
221H32.3Very low32.6Very low161 Ų161133.5 Ų133.575%0.74576%0.764SS**  trans-75.7123.3-175169.8102.9000112.7
222F31Very low32.3Very low179 Ų179131.4 Ų131.479%0.78577%0.767SS**  trans-162.4135.7147.4-112.3-71.6000112.5
223D36Very low32.1Very low141 Ų141127.3 Ų127.375%0.75476%0.763SS**  trans27.2131.9165.5-61.2-21.8000123.1
224S29.8Very low31.9Very low128 Ų128127.7 Ų127.790%0.89577%0.766SS**  trans-142.2102177-170.40000113.2
225A35.7Very low32Very low94 Ų94129.7 Ų129.778%0.77778%0.775SS**  trans-170.8134.4164.300000110.9
226R30Very low32.3Very low200 Ų200132.5 Ų132.576%0.75578%0.784SS**  cis-153.1170.7-22.3-80.6-167.1-173.51794.5107.6
227Y35.6Very low32.4Very low179 Ų179133.4 Ų133.470%0.70279%0.792SS**  trans77.293.5163.8-60-68.2000118.6
228T36.2Very low33.2Very low136 Ų136131.7 Ų131.783%0.83479%0.79SS**  40.2130.5118.657.10000119.6
229G33.6Very low33.6Very low66 Ų66128.6 Ų128.668%0.6879%0.786SS**  cis153.7164.11.200000111.5
230C31.7Very low34Very low128 Ų128131 Ų13187%0.86579%0.785SS**  trans59.8115.6178.6-57.40000114.9
231S28.7Very low34.1Very low110 Ų110133.4 Ų133.477%0.76978%0.778SS**  cis62.5133.636.6-46.20000114.5
232S32.6Very low34.4Very low114 Ų114131 Ų13180%0.79778%0.779SS**  trans67.9125.2174-50.20000114.7
233A28.6Very low34.9Very low88 Ų88132.9 Ų132.973%0.72778%0.781SS**  cis72.1142.326.300000115.7
234T29.8Very low35Very low125 Ų125131.7 Ų131.777%0.76777%0.774SS**  trans60.1105.4168.755.80000120
235S33.6Very low35.4Very low118 Ų118130.8 Ų130.883%0.82577%0.768SS**  trans-12994.7132.456.10000106.2
236Q35.9Very low35.5Very low186 Ų186134 Ų13487%0.86977%0.772SS**  54.671.579.6-70.2-155.1-10.700114.8
237D34.5Very low35.6Very low155 Ų155129.5 Ų129.583%0.82977%0.77SS**  trans-165.3134.6134.7-153.27.5000107.8
238S47.1Very low35.5Very low101 Ų101128.1 Ų128.171%0.70677%0.773SS**  cis-128.6179.8-5.6-45.70000110.5
239G38.6Very low35.4Very low69 Ų69128.2 Ų128.271%0.71177%0.774SS**  trans-72-178.8171.700000114.8
240F37Very low35.4Very low190 Ų190128.6 Ų128.683%0.83378%0.778SS**  cis-161.1141.822.2-144.3-127.7000112
241L37.6Very low35.3Very low134 Ų134128.9 Ų128.970%0.70278%0.78SS**  trans61.2119.3159.4-59.9176.1000123.6
242S40.2Very low35.3Very low111 Ų111129.3 Ų129.378%0.77678%0.782SS**  trans63.6145.7132.9-49.90000120.5
243R40.5Very low35.3Very low217 Ų217132.3 Ų132.382%0.81978%0.78SS**  cis-158.7151.623.4-172.2167.5177.2170.1-1113.7
244D38.7Very low35.5Very low116 Ų116135.1 Ų135.162%0.6278%0.778SS**  trans11.9129.1160.1-35.7-27.7000119.3
245S37.8Very low35.6Very low110 Ų110136 Ų13677%0.76978%0.777SS**  -173.8142.767.9-610000115.2
246L37.8Very low35.6Very low162 Ų162138.1 Ų138.185%0.84878%0.777SS**  trans9146.1143.6-46.2179.4000120
247C31.5Very low35.4Very low105 Ų105133.9 Ų133.971%0.70977%0.766SS**  cis-179.2172.70.1-104.30000108.2
248L32.9Very low35.1Very low149 Ų149134.5 Ų134.578%0.7877%0.767SS**  cis-172.8161-26.1-165.469000109.1
249T34.7Very low34.4Very low138 Ų138138.1 Ų138.185%0.84777%0.773SS**  trans73.5139.3162.6-48.50000117.9
250G34.3Very low33.9Very low75 Ų75141 Ų14177%0.77378%0.777SS**  cis-173.7170.8-1.200000112.9
251C29.3Very low33.6Very low133 Ų133136.5 Ų136.590%0.89978%0.775SS**  trans-109.3172.8-164.7-157.50000115.7
252C27.7Very low33.4Very low119 Ų119139.8 Ų139.880%0.80478%0.783SS**  trans-84.9145.7-158.4-52.60000117.3
253K33.2Very low32.7Very low177 Ų177144.7 Ų144.777%0.7779%0.786SS**  trans-153.5162.3164.4-76.8-167.1155.8-142.90108.9
254H33.7Very low32.3Very low148 Ų148141.9 Ų141.969%0.68579%0.786SS**  cis-136.9-125.6-0.9-134.8-39000111.8
255I31.4Very low31.8Very low144 Ų144142.2 Ų142.274%0.73879%0.792SS**  trans-140.5136.6-174.4-62.6161.7000109.9
256I33.2Very low31.5Very low161 Ų161141.5 Ų141.583%0.82679%0.792SS**  trans-144135.5155.6-61.3-173.5000108
257P32Very low31.1Very low98 Ų98141.2 Ų141.264%0.63679%0.792SS**  trans-87.8160.3-173.335-36.9000114.9
258I27.4Very low31.3Very low167 Ų167140.5 Ų140.586%0.85679%0.788SS**  trans-75.8124.7169.3-59.3170.9000109.1
259Q33.6Very low31.3Very low178 Ų178140.3 Ų140.383%0.83278%0.783SS**  trans-112.9135168.4-72.2-16415.300111.6
260T27Very low31.2Very low129 Ų129139.8 Ų139.879%0.79178%0.779SS**  trans-100110.9179.143.50000111.6
261A31.4Very low31.2Very low95 Ų95139.6 Ų139.679%0.78577%0.766SS**  trans-139.1111.7162.600000107.4
262K33Very low31.6Very low203 Ų203141 Ų14188%0.88376%0.759SS**  70.9119.960.7-68-166.6172.3-177.90113.9
263Y25.7Very low32.1Very low214 Ų214140 Ų14084%0.83975%0.746SS**  trans-50.4152.7178.7-91.3-116000116.1V265Y263-V265 HydrophobicContact CD1-CG2 4.48Å
264I31.2Very low32.2Very low159 Ų159135 Ų13582%0.81574%0.738SS**  trans179.5113.2133.8-91.7149.5000105.4
265V27.9Very low32.4Very low123 Ų123133.9 Ų133.975%0.74574%0.737SS**  80.1103.664.6174.90000114Y263Y263-V265 HydrophobicContact CD1-CG2 4.48Å
266A32.7Very low32.7Very low94 Ų94134.8 Ų134.878%0.77774%0.738SS**  trans160.1123.6159.800000106.2
267D29.1Very low32.8Very low157 Ų157134.1 Ų134.184%0.8473%0.732SS**  cis82.4148.121.2-15012.4000116.2
268S35.7Very low33Very low90 Ų90134.8 Ų134.863%0.62974%0.738SS**  trans64.8141.8-169.7-78.60000116.1
269E32Very low33.3Very low144 Ų144134 Ų13467%0.67374%0.736SS**  cis-169168-12.8-126.9175.7-86.500111.2R479E269-R479 IonicContact OE2-NH2 2.72Å; E269-R479 PolarHBondContact OE2-NH2 3.26Å
270V32.8Very low33.3Very low127 Ų127130.2 Ų130.277%0.7773%0.729SS**  trans147.3127.7138164.20000112.5
271S36Very low33.8Very low71 Ų71133.1 Ų133.150%0.49773%0.734SS.*  trans-136.4159.2177.852.10000112.5R479S271-R479 WeakPolarHBondContact O-CD 3.18Å; S271-R479 PolarHBondContact O-NH1 3.01Å; S271-R479 PolarHBondContact OG-NE 3.41Å
272Q37.2Very low33.8Very low162 Ų162132.9 Ų132.976%0.75773%0.732SS**  trans-156.1122.7163.2-95.1167.916.700105.9
273N36.9Very low33.8Very low99 Ų99129 Ų12953%0.52973%0.73SS.*  76.213777-72.315.2000114
274A37.1Very low34.1Very low72 Ų72125.4 Ų125.460%0.59573%0.731SS**  cis-168.9156.5-14.700000111.7
275N36.2Very low34.1Very low124 Ų124123.5 Ų123.566%0.66373%0.729SS**  trans66.2160.4162.8-56.9-18.6000116.9P476N275-P476 WeakPolarHBondContact OD1-CG 3.3Å
276Q38.1Very low34.1Very low163 Ų163122.7 Ų122.776%0.76273%0.728SS**  cis-145.6164.519.2-163164.418.600114.2
277E35.3Very low34.2Very low148 Ų148124 Ų12469%0.69273%0.729SS**  trans-31.4147.7178.6-55.8150.391.100117.1
278S36.7Very low34.3Very low111 Ų111121.8 Ų121.878%0.77673%0.726SS**  179.414451.859.90000115.4
279N32.9Very low34.2Very low152 Ų152123 Ų12381%0.81374%0.735SS**  trans72.9129.6142.1-154.517.8000123.1
280S34.3Very low34.2Very low97 Ų97121.6 Ų121.668%0.67874%0.741SS**  trans100.3129.6158.1-44.10000120.3
281Q36.4Very low34.1Very low190 Ų190122.6 Ų122.689%0.88874%0.741SS**  trans87.2122.7160.4-56.9-165.9-0.500121.5
282A32.3Very low33.8Very low91 Ų91122.6 Ų122.675%0.75275%0.745SS**  trans76144.914600000121.8
283S32.5Very low33.7Very low120 Ų120120.7 Ų120.784%0.83975%0.745SS**  trans73.2124.3161.6-56.20000119.1
284T31.7Very low33.4Very low140 Ų140124.3 Ų124.386%0.85975%0.751SS**  trans-133.9150.9164.228.10000108.3
285P32.3Very low33.2Very low119 Ų119126.4 Ų126.477%0.77376%0.758SS**  -117.7169.7-114.240.1-35.9000116
286S27.2Very low32.7Very low105 Ų105127.1 Ų127.173%0.73476%0.758SS**  trans-60.9140.6164.4-46.90000111.6S288S286-S288 PolarHBondContact O-N 3.49Å
287P36.3Very low32.2Very low121 Ų121120.5 Ų120.579%0.78673%0.734SS**  trans-78108.8160.631.1-30000109.4
288S29.3Very low31.9Very low112 Ų112118.4 Ų118.478%0.78374%0.741SS**  trans-71.4126.1162.7-65.10000109.1S286S286-S288 PolarHBondContact O-N 3.49Å
289S33.4Very low31.4Very low116 Ų116116.8 Ų116.881%0.81172%0.724SS**  trans-123.375.1166.2-720000109.1L291S289-L291 PolarHBondContact O-N 2.69Å; S289-L291 VanDerWaalsContact O-N 3.1Å
290S32.2Very low31.7Very low114 Ų114112.5 Ų112.580%0.79770%0.701SS**  trans-71.194.4168.549.80000109.6
291L31.4Very low31.9Very low147 Ų147110.9 Ų110.977%0.7769%0.687SS**  trans-157.3101.2150.9-116.8170.3000110.7S289 T293S289-L291 PolarHBondContact O-N 2.69Å; S289-L291 VanDerWaalsContact O-N 3.1Å; L291-T293 VanDerWaalsContact C-N 3.25Å; L291-T293 PolarHBondContact O-N 2.95Å; L291-T293 VanDerWaalsContact O-N 3.11Å
292A30.8Very low31.5Very low71 Ų71105.7 Ų105.759%0.58767%0.671SS**  trans-75.984.1156.700000108.6
293T33.4Very low31.5Very low122 Ų122102.8 Ų102.875%0.74865%0.651SS**SBend-76.5119119.5-58.20000103.6L291 P295L291-T293 VanDerWaalsContact C-N 3.25Å; L291-T293 PolarHBondContact O-N 2.95Å; L291-T293 VanDerWaalsContact O-N 3.11Å; T293-P295 WeakPolarHBondContact O-CD 3.18Å
294W30.5Very low31.8Very low175 Ų175101.3 Ų101.366%0.66364%0.636SS**  trans-52.7127.4-166.3-76.893.7000110.5E296W294-E296 WeakPolarHBondContact CB-OE1 3.49Å; W294-E296 WeakPolarHBondContact CB-OE2 3.48Å; W294-E296 PolarHBondContact O-N 3.34Å
295P34.3Very low31.8Very low116 Ų11699.1 Ų99.175%0.75362%0.619SS**  trans-71.260.5169.3-18.834.2000109.6T293 G297T293-P295 WeakPolarHBondContact O-CD 3.18Å; P295-G297 WeakPolarHBondContact O-CA 3.49Å; P295-G297 PolarHBondContact O-N 3.01Å
296E26.2Very low31.7Very low139 Ų13997 Ų9765%0.6560%0.6SS**  trans-61.490-172.6-134.597.5-108.300107.7W294W294-E296 WeakPolarHBondContact CB-OE1 3.49Å; W294-E296 WeakPolarHBondContact CB-OE2 3.48Å; W294-E296 PolarHBondContact O-N 3.34Å
297G27Very low31.6Very low25 Ų2599 Ų9926%0.25859%0.591SS.*  cis76.979.335.400000103.9P295 L299P295-G297 WeakPolarHBondContact O-CA 3.49Å; P295-G297 PolarHBondContact O-N 3.01Å; G297-L299 WeakPolarHBondContact O-CB 3.42Å; G297-L299 WeakPolarHBondContact O-CG 3.49Å; G297-L299 PolarHBondContact O-N 3.5Å
298A28.3Very low31.2Very low103 Ų10393.7 Ų93.785%0.85156%0.556SS**  53.29.976.500000113.2L300A298-L300 PolarHBondContact O-N 3.47Å
299L26.7Very low31.2Very low78 Ų7889.2 Ų89.241%0.40852%0.524SS..  trans-103.680.2-165.3-69.9168.5000110.9G297 N608G297-L299 WeakPolarHBondContact O-CB 3.42Å; G297-L299 WeakPolarHBondContact O-CG 3.49Å; G297-L299 PolarHBondContact O-N 3.5Å; L299-N608 VanDerWaalsContact O-CB 3.27Å; L299-N608 WeakPolarHBondContact O-CB 3.15Å; L299-N608 PolarHBondContact O-ND2 3.43Å; L299-N608 VanDerWaalsContact O-ND2 3.17Å
300L39.6Very low31.2Very low62 Ų6286 Ų8633%0.32550%0.501SS..  -51.3125.3111.4-64.2164.5000106A298 L607 V610A298-L300 PolarHBondContact O-N 3.47Å; L300-L607 WeakPolarHBondContact CD2-O 3.49Å; L300-L607 WeakPolarHBondContact CG-O 3.5Å; L300-V610 HydrophobicContact CD2-CB 3.97Å; L300-V610 VanDerWaalsContact CD2-N 3.25Å; L300-V610 VanDerWaalsContact CD2-OXT 3.32Å; L300-V610 WeakPolarHBondContact CD2-OXT 3.4Å
301P37.6Very low31.2Very low62 Ų6282.6 Ų82.640%0.40348%0.48SS..  -152.4178.37641.7-25.4000115.2F520P301-F520 HydrophobicContact CB-CE1 4.4Å; P301-F520 HydrophobicContact CB-CE2 4.27Å; P301-F520 HydrophobicContact CB-CZ 3.71Å
302C28.3Very low31.4Very low81 Ų8176 Ų7655%0.54745%0.447SS..  trans76.1127.1168.7-97.30000112.1
303G32Very low31.7Very low31 Ų3177 Ų7732%0.3246%0.456SS..  cis85.176.647.100000105.3
304T40Very low31.9Very low88 Ų8874 Ų7454%0.5444%0.437SS..  cis54.7147.633.5-34.90000108.2
305I30.6Very low32.2Very low95 Ų9568.8 Ų68.849%0.48742%0.424SS..  -158.4110.2106.4-104.3169.4000105.4
306I29.7Very low32.5Very low73 Ų7368.5 Ų68.537%0.37442%0.42SS..  trans71.8127.9131.6-76.9171.7000114L17 Q308L17-I306 HydrophobicContact CD1-CD1 4.21Å; L17-I306 HydrophobicContact CD2-CD1 3.9Å; L17-I306 HydrophobicContact CD2-CG2 3.47Å; L17-I306 VanDerWaalsContact CD2-CG2 3.47Å; I306-Q308 HydrophobicContact CG2-CG 4.28Å
307R25.8Very low33Very low147 Ų14766.3 Ų66.356%0.55542%0.42SS*.SBend-140.9137.460.5-72.2-176.3171.8-176.1-0111.3L10 T14L10-R307 HydrophobicContact CD1-CB 4.29Å; T14-R307 PolarHBondContact OG1-NH1 2.73Å
308Q28.8Very low33.5Very low10 Ų1076.1 Ų76.15%0.04745%0.45CS..  cis-173.8125.18.9-128154.813.100116.1L10 L13 T14 E126 I306L10-Q308 HydrophobicContact CD1-CB 4.27Å; L10-Q308 PolarHBondContact O-OE1 3.27Å; L10-Q308 VanDerWaalsContact O-OE1 3.11Å; L13-Q308 HydrophobicContact CD2-CB 3.66Å; L13-Q308 HydrophobicContact CD2-CG 4.27Å; L13-Q308 HydrophobicContact CG-CB 3.8Å; L13-Q308 HydrophobicContact CG-CG 3.83Å; T14-Q308 PolarHBondContact OG1-NE2 2.99Å; T14-Q308 PolarHBondContact OG1-OE1 3.49Å; E126-Q308 WeakPolarHBondContact CB-O 3.3Å; I306-Q308 HydrophobicContact CG2-CG 4.28Å
309N29.1Very low34.2Very low19 Ų1975 Ų7510%0.10243%0.433CS..  trans61.672.6132.1-60.111.8000123L13 L17 I122 L123 E126L13-N309 HydrophobicContact CD1-CB 3.7Å; L13-N309 HydrophobicContact CD2-CB 4.45Å; L13-N309 HydrophobicContact CG-CB 4.02Å; L13-N309 PolarHBondContact O-ND2 3.06Å; L17-N309 WeakPolarHBondContact CB-ND2 3.23Å; I122-N309 HydrophobicContact CG2-CB 3.59Å; I122-N309 WeakPolarHBondContact CG2-ND2 3.31Å; I122-N309 VanDerWaalsContact O-O 3.1Å; L123-N309 WeakPolarHBondContact CA-O 3.5Å; L123-N309 HydrophobicContact CD2-CB 4.23Å; E126-N309 VanDerWaalsContact CB-O 3.28Å; E126-N309 WeakPolarHBondContact CB-O 3.49Å; E126-N309 PolarHBondContact N-O 2.62Å
310S33.2Very low34.7Very low48 Ų4879.2 Ų79.234%0.33645%0.451SS..  trans-135.2139.9154.776.60000121.7L123 E126L123-S310 VanDerWaalsContact CD2-CA 3.41Å; L123-S310 WeakPolarHBondContact O-CA 3.38Å; L123-S310 WeakPolarHBondContact O-CB 3.38Å; E126-S310 WeakPolarHBondContact CG-OG 3.34Å; E126-S310 WeakPolarHBondContact OE2-CA 3.13Å; E126-S310 WeakPolarHBondContact OE2-CB 3.27Å; E126-S310 PolarHBondContact OE2-N 2.83Å; E126-S310 PolarHBondContact OE2-OG 2.96Å
311A32.9Very low34.6Very low43 Ų4381.9 Ų81.936%0.35547%0.469SS..  trans-124.5-160.1150.900000103.7L123L123-A311 CarbonylContact C-O 3.32Å; L123-A311 VanDerWaalsContact C-O 3.32Å; L123-A311 HydrophobicContact CB-CB 3.66Å; L123-A311 HydrophobicContact CD1-CB 3.27Å; L123-A311 HydrophobicContact CG-CB 4.04Å; L123-A311 PolarHBondContact O-N 2.72Å
312G34.6Very low34.4Very low8 Ų886.3 Ų86.38%0.08249%0.488CS..  trans58.359.4-170.600000107.8L127 V314L127-G312 VanDerWaalsContact CB-O 3.32Å; L127-G312 WeakPolarHBondContact CB-O 3.36Å; L127-G312 WeakPolarHBondContact CD1-O 3.37Å; L127-G312 WeakPolarHBondContact CD2-O 3.47Å; L127-G312 WeakPolarHBondContact CG-O 3.46Å; G312-V314 PolarHBondContact O-N 2.98Å
313A36.6Very low34.8Very low93 Ų9388 Ų8877%0.76950%0.501SS*.  32.466.955.800000109.5
314V38.3Very low35.2Very low58 Ų5891 Ų9135%0.35252%0.522SS..  trans96.298.2173.6-170.70000116.7G312 L598G312-V314 PolarHBondContact O-N 2.98Å; V314-L598 HydrophobicContact CG1-CD1 4.47Å
315V37.7Very low35.1Very low66 Ų6691.7 Ų91.740%0.453%0.531SS..  49.9140.2100.51450000118.3L598V315-L598 HydrophobicContact CB-CD1 3.8Å; V315-L598 HydrophobicContact CB-CD2 4.46Å; V315-L598 HydrophobicContact CG1-CD1 3.6Å; V315-L598 HydrophobicContact CG2-CD1 3.7Å; V315-L598 HydrophobicContact CG2-CD2 3.6Å; V315-L598 HydrophobicContact CG2-CG 4.29Å
316V38.5Very low35.5Very low110 Ų11096.4 Ų96.467%0.66755%0.548SS*.  cis-168170.1-5.781.30000110.7
317S38.5Very low36.1Very low93 Ų9398.8 Ų98.865%0.6557%0.566SS**  trans33.7125.7159.8-53.50000121.3
318R36.3Very low37.2Very low231 Ų23194.4 Ų94.487%0.87257%0.567SS**  44.415971.7-103.1-164.3173.1-155.10.7115.6
319P43.9Very low37.8Very low78 Ų7898.9 Ų98.951%0.50661%0.605SS.*  cis-140.1-173.4-18.527.9-3.2000115.3
320H37.5Very low38.3Very low168 Ų168106.3 Ų106.378%0.77864%0.639SS**  148.3118.2125-75.8-66000119.8
321T36Very low38.6Very low117 Ų117112 Ų11272%0.71866%0.661SS**  73.4107.5129.3-1440000127.3
322I34.7Very low38.9Very low156 Ų156116 Ų11680%0.868%0.68SS**  43.3129.2123.3-52.5170.4000123.6
323S37Very low39.2Very low117 Ų117120.9 Ų120.982%0.81871%0.709SS**  trans-168.6162144.8-80.50000108.7
324A39.7Very low39.4Very low92 Ų92125.4 Ų125.476%0.7671%0.711SS**  cis-169.9-179.7-21.700000106
325S37.6Very low39.3Very low103 Ų103134.1 Ų134.172%0.7274%0.737SS**  cis-171.9166.4-5.533.20000108.9
326F40Very low39.4Very low195 Ų195137.6 Ų137.686%0.85576%0.759SS**  trans68.4156.9169.2-97.5-144000116
327T41.2Very low39.3Very low123 Ų123137.4 Ų137.476%0.75576%0.76SS**  cis-150.7-179.6-6.2-4.80000108.7
328G48Very low39.1Very low54 Ų54141.7 Ų141.756%0.55778%0.775SS**  cis-175.8-108.98.200000115.4H330G328-H330 PolarHBondContact O-ND1 2.72Å
329A42.9Very low39Very low104 Ų104136.6 Ų136.686%0.8677%0.774SS**  trans-80.6128.5-167.700000113.4
330H39.1Very low38.5Very low175 Ų175136 Ų13681%0.8178%0.782SS**  cis71135.841.7-76.342000114.3G328G328-H330 PolarHBondContact O-ND1 2.72Å
331Q39.4Very low38.4Very low169 Ų169132.5 Ų132.579%0.7978%0.783SS**  cis-125.6-179.426.1-50.5175.427.100111.4
332V40.1Very low38.4Very low125 Ų125133.2 Ų133.276%0.75878%0.781SS**  -159.9123.250.9170.40000113.1
333T41Very low38.6Very low112 Ų112133.7 Ų133.769%0.68778%0.778SS**  trans32.3117143.5-25.40000123.5
334K38.8Very low38.4Very low187 Ų187136.3 Ų136.381%0.81378%0.777SS**  173.6130.4104.9-92.8172.8-175.5170.20116.2
335R36.5Very low37.9Very low241 Ų241136.2 Ų136.291%0.90978%0.777SS**  trans71.8108.5155.6-67.8-177.9170.7162.8-3.8121.5
336T39.8Very low37.8Very low139 Ų139143 Ų14385%0.85379%0.786SS**  trans-72.9173.7152.512.90000111.9
337P37.5Very low37.4Very low106 Ų106137.9 Ų137.969%0.68878%0.78SS**  cis-136.2173.613.543-26.3000117.9
338L34Very low37.1Very low184 Ų184137.5 Ų137.596%0.96378%0.782SS**  trans-125.9125.4138.8-86.5174.7000108.3
339S33.6Very low36.5Very low123 Ų123139.4 Ų139.486%0.8679%0.787SS**  trans-165.1145.6177.8177.30000109.7
340G34.9Very low36Very low65 Ų65143.7 Ų143.767%0.6779%0.79SS**  trans119.7141.6170.900000113.9
341A34.2Very low36Very low96 Ų96140.3 Ų140.379%0.79378%0.783SS**  trans70133.8175.400000116.7
342L36.7Very low35.8Very low132 Ų132137.8 Ų137.869%0.69178%0.782SS**  cis-163.8152.1-11.6-143.152.9000111.1
343F38.7Very low35.4Very low166 Ų166140 Ų14073%0.72879%0.786SS**  trans63.2162.4162.7-57.6-51.7000119.9
344Q33Very low35.3Very low171 Ų171139.9 Ų139.980%0.79978%0.784SS**  -156.4164.7-51.5-142.2171.38.200110.8
345A29.4Very low35.2Very low91 Ų91140.4 Ų140.475%0.75279%0.787SS**  trans-37.5141.5-17500000120.2
346R35.6Very low35.5Very low245 Ų245134.3 Ų134.393%0.92578%0.778SS**  -140.2109.6126.2-164.678-173.1-166.42.4110.6
347A30.6Very low35.3Very low88 Ų88133.3 Ų133.373%0.72777%0.774SS**  trans-85.5139.9165.200000109.8
348S35.6Very low35Very low114 Ų114135.5 Ų135.580%0.79778%0.779SS**  trans-166.3140.7130.9-1480000111.8
349S34.3Very low35.4Very low94 Ų94135.9 Ų135.966%0.65778%0.776SS**  trans-27133.2168.954.10000118.4
350Q32.4Very low35.7Very low195 Ų195139.7 Ų139.791%0.91178%0.777SS**  trans-85115.8132.2-85.9-169.4-20.900108.4
351P40.4Very low36.3Very low104 Ų104142.4 Ų142.468%0.67578%0.783SS**  trans-78.2138.8163.732-31.4000109.7
352P34.2Very low36.8Very low116 Ų116143.8 Ų143.875%0.75378%0.784SS**  trans-75.6158165.934-34.6000110.1
353M31.7Very low37.1Very low171 Ų171145.7 Ų145.784%0.84279%0.793SS**  trans180143130.6-101.3171.971.900115.2
354V39.2Very low38.1Very low109 Ų109143.4 Ų143.466%0.66180%0.795SS**  trans63.1114.7144.9178.40000119.9
355K37.8Very low38.7Very low199 Ų199140.9 Ų140.987%0.86579%0.794SS**  trans-80.1134.5149.5-62.2173.8179.6176.50110
356P41.3Very low38.9Very low113 Ų113147.9 Ų147.973%0.73480%0.801SS**  trans-83.6155.3150-16.533.2000111.4
357P35.5Very low39.2Very low117 Ų117142.8 Ų142.876%0.7680%0.797SS**  trans-99.3-173.9-169.539.7-37.7000114.9
358L32Very low39.4Very low153 Ų153146.6 Ų146.680%0.80180%0.8SS**  trans-35.5146.9170.8-68.362.7000114.8
359H42Very low39.7Very low192 Ų192149.3 Ų149.389%0.88980%0.804SS**  -154.8143.7125-100.982.6000109.9
360K40.3Very low39.6Very low203 Ų203152.6 Ų152.688%0.88381%0.809SS**  trans-122.3123.6173.4-95.1-170.6175.6-177.80110.2
361P47.3Very low39.9Very low122 Ų122150.1 Ų150.179%0.79281%0.807SS**PPolyproline II helixtrans-81.4163.6162.3-14.732000112.7
362P43.8Very low39.7Very low125 Ų125152.2 Ų152.281%0.81281%0.813SS**PPolyproline II helixtrans-101.3173.8-167.839.5-36.6000115.5
363L44.1Very low39.8Very low171 Ų171157.8 Ų157.890%0.89582%0.819SS**PPolyproline II helixtrans-93.2135.8169.5-72.5168.5000111.7
364P59.7Low40.2Very low118 Ų118154.2 Ų154.277%0.76681%0.811SS**PPolyproline II helixtrans-83.6166169.933.4-33.2000113.2
365P45.5Very low40.2Very low119 Ų119157.3 Ų157.377%0.77382%0.822SS**PPolyproline II helixtrans-102.9170.9-157.339.4-37000116.5
366R33.5Very low40.2Very low237 Ų237150.7 Ų150.789%0.89481%0.81SS**PPolyproline II helixtrans-74147.1165.3-95-178167.5173.4-3.9112
367T42.3Very low40.2Very low138 Ų138152.8 Ų152.885%0.84782%0.821SS**  trans-118.8145161.844.60000111.3
368H34.1Very low40.2Very low169 Ų169150.5 Ų150.578%0.78282%0.819SS**  trans-95.7159.3169.8-87.8-111.6000109.9
369L41.7Very low40.4Very low170 Ų170149.1 Ų149.189%0.8982%0.82SS**  trans-150.6141.5147-109.6156.4000110.7
370Q33.6Very low40.2Very low164 Ų164150.8 Ų150.877%0.76682%0.819SS**  trans-125.7144.6173.5-70.1178.7-3400108.4
371T38.8Very low40.1Very low142 Ų142145.8 Ų145.887%0.87181%0.809SS**  trans-152.5148.1153.230.70000110.4
372N35.8Very low39.7Very low148 Ų148144.8 Ų144.879%0.79181%0.805SS**  trans-111.3157.1-175.3-60.7-74.6000111.7
373R36.7Very low39.5Very low234 Ų234147.7 Ų147.788%0.88381%0.808SS**  174.4109.1117.1-98.3177.5176.8-167.4-1117.4
374S39.8Very low39.3Very low96 Ų96146.2 Ų146.267%0.67180%0.797SS**  71.1143.4117.970.50000125.9
375I38.9Very low38.4Very low174 Ų174144.7 Ų144.789%0.89279%0.794SS**  trans78.4130.5159.2-37-173.9000117.4
376G38.4Very low38.7Very low59 Ų59147.6 Ų147.661%0.60879%0.794SS**  cis172.7154.3-10.600000115.9
377T40.6Very low38.8Very low157 Ų157145.9 Ų145.996%0.96379%0.793SS**  trans57.7132.816453.10000121.6
378G36.4Very low38.8Very low70 Ų70148.4 Ų148.472%0.72280%0.796SS**  cis173.3155.5-11.100000116.4
379C36Very low38.8Very low124 Ų124148.9 Ų148.984%0.83880%0.798SS**  trans72.4165.6172.1-66.40000118.7
380R38Very low38.4Very low227 Ų227150.1 Ų150.186%0.85780%0.799SS**  cis-174.9172.6-25.2-97.9-169.8175.7-145.8-1.3108.2
381S37.9Very low38.5Very low97 Ų97149.6 Ų149.668%0.67880%0.8SS**  cis-176.3142.5-40.7-84.50000112.7
382S37.8Very low38.1Very low102 Ų102152.3 Ų152.371%0.71380%0.796SS**  trans75148.4148.1-61.70000124.3
383E39.9Very low38.1Very low185 Ų185155.5 Ų155.586%0.86480%0.799SS**  cis-176-167.4-31.5-123.4167.9124.600117.4
384E40.8Very low37.9Very low141 Ų141151.5 Ų151.566%0.65979%0.794SS**  trans93.7138.2-175.9-123.6-83.362.600116.9K386E384-K386 IonicContact OE2-NZ 2.83Å; E384-K386 PolarHBondContact OE2-NZ 3.04Å
385A40.4Very low37.7Very low86 Ų86154.2 Ų154.271%0.71180%0.799SS**  trans-167.8131.5175.200000113.2
386K50.7Low37.5Very low179 Ų179151.7 Ų151.778%0.77879%0.793SS**  trans-111.1163.4175.4-83.1-179.2177.782.80113.5E384E384-K386 IonicContact OE2-NZ 2.83Å; E384-K386 PolarHBondContact OE2-NZ 3.04Å
387K35.5Very low37.5Very low201 Ų201155.8 Ų155.887%0.87480%0.801SS**  trans-132.4157.8-157.3-53.7173.6-179.4175.30114.9
388E43.5Very low37Very low191 Ų191154.8 Ų154.889%0.89380%0.795SS**  trans-150.9-179.1141.3-136.1170.2141.400111.2
389Q33.6Very low36.8Very low180 Ų180159.8 Ų159.884%0.84180%0.799SS**  trans-120145-157.1-56.5164-73.700114.8
390Q33.9Very low36.8Very low195 Ų195162 Ų16291%0.91180%0.798SS**  trans-166.1156.9137.5-112.3169.215.700116.1
391I35.9Very low36.6Very low153 Ų153157 Ų15779%0.78579%0.794SS**  trans-58.8151-168.3-60.3159.1000114.8
392Y29.9Very low36.4Very low199 Ų199156 Ų15678%0.7879%0.792SS**  trans-127.3134.3175.6-154.5-94.7000111.4
393Y35.1Very low36.3Very low216 Ų216159.8 Ų159.885%0.84780%0.798SS**  trans-102.7131165.8-95.2-86.2000108.9M395Y393-M395 PolarHBondContact O-N 3.43Å
394N32.1Very low36.1Very low149 Ų149154.5 Ų154.580%0.79779%0.786SS**  trans-73.9126.8-174.6-92.3-16.3000112.8
395M36.3Very low35.9Very low154 Ų154152.4 Ų152.476%0.75979%0.787SS**  trans-109.3141.5151.4-98.2-68.5-61.800107.6Y393Y393-M395 PolarHBondContact O-N 3.43Å
396P34.8Very low35.8Very low121 Ų121155.1 Ų155.179%0.78679%0.79SS**  trans-58.5146.3177.9-25.235.5000112.7
397N38.9Very low35.1Very low145 Ų145151.7 Ų151.778%0.77578%0.784SS**  trans-123.5157.9-170.4-170.422.7000110.7
398V29.8Very low35.3Very low135 Ų135149.1 Ų149.182%0.81878%0.779SS**  trans-116.886175.9-175.60000110.6
399E32.5Very low34.9Very low175 Ų175149.3 Ų149.382%0.81877%0.772SS**  trans43.692.7144.1-55.5-162.5126.600120.8
400Q35.5Very low35.1Very low172 Ų172147.2 Ų147.280%0.80477%0.771SS**  0.1153.6113.7-117.6179.447.400120.2
401P33.7Very low35.3Very low122 Ų122145.4 Ų145.479%0.79276%0.763SS**  -134.5-177.290.925.1-6.1000112.2
402A34Very low35.4Very low76 Ų76142.9 Ų142.963%0.62876%0.758SS**  cis-175.5169.3-22.600000106.4
403Q35.6Very low35.7Very low180 Ų180144.4 Ų144.484%0.84176%0.763SS**  cis-156.2148.6-9.7-123.2-169.197.900107.7
404A35.1Very low35.7Very low74 Ų74139.8 Ų139.861%0.61276%0.759SS**  60142.9100.500000118.6
405S36.7Very low36.2Very low98 Ų98139 Ų13969%0.68577%0.765SS**  cis-177.2172.9-11.6-98.30000113
406N37.6Very low36.1Very low143 Ų143142.6 Ų142.677%0.76577%0.77SS**  trans77.4155.5147.6-69.5-13000121.5
407T37.5Very low36.2Very low107 Ų107142 Ų14266%0.65677%0.767SS**  cis-173168.6-20.232.10000111.4
408L38.3Very low35.9Very low147 Ų147142.5 Ų142.577%0.7777%0.768SS**  trans118.1155.8143.7-61.9175.1000117.9
409R36.1Very low36.1Very low194 Ų194141.1 Ų141.173%0.73277%0.765SS**  cis166.7119.4-48.3169.3-167.3-166.2-1777.2113.1
410V38.6Very low36.1Very low137 Ų137142.7 Ų142.783%0.8377%0.769SS**  trans-150.9112.4158.3-168.20000106.3
411Q37Very low36.2Very low157 Ų157138.5 Ų138.573%0.73476%0.764SS**  65.4134.971.4-63.6-163.763.200114.3
412S38.4Very low36.2Very low100 Ų100136.2 Ų136.270%0.69976%0.763SS**  cis-140.2-1570.659.60000108.8
413R36Very low36.2Very low231 Ų231139 Ų13987%0.87277%0.772SS**  cis-157.7149.210.4-143.3177.7-165.8-1585.2109.3
414P36Very low36.2Very low119 Ų119136.5 Ų136.577%0.77377%0.773SS**  trans-113.6167-173.740.9-33.6000115.4
415S41.2Very low36.1Very low131 Ų131139.8 Ų139.892%0.91678%0.78SS**  trans-152.8140.7158.4-92.70000112.4
416R34.9Very low35.7Very low230 Ų230144.6 Ų144.687%0.86879%0.789SS**  trans-149.8148.1171.7-156-173-166.4-136.24.1106.2
417P35.9Very low35.7Very low110 Ų110142.8 Ų142.871%0.71478%0.784SS**  -157.4151.2108.237.2-18000118.2
418L33.3Very low35.9Very low155 Ų155144 Ų14481%0.81279%0.793SS**  trans63.8179.2139.9-63.4170.7000120.5
419S34.1Very low35.5Very low106 Ų106146.5 Ų146.574%0.74180%0.798SS**  trans-165.7143.3-140.754.20000114.6
420F33.5Very low35.3Very low207 Ų207140.4 Ų140.491%0.90880%0.796SS**  trans-154.6108.1159.9-154.1-114.5000107.5
421A36.4Very low35.1Very low84 Ų84140 Ų14069%0.69480%0.799SS**  90.6127.484.500000113.5
422G34.5Very low34.9Very low74 Ų74139.3 Ų139.376%0.76381%0.805SS**  trans-170.8151.9178.900000109.3
423T34Very low34.7Very low136 Ų136142.8 Ų142.883%0.83481%0.814SS**  trans-122.4127.7-156.1510000115.5
424C36.1Very low34.6Very low126 Ų126135.1 Ų135.185%0.85181%0.807SS**  trans-160.381.2156.642.40000112.6
425D31.9Very low34.7Very low144 Ų144140.2 Ų140.277%0.7781%0.811SS**  trans24146.9142.4-66-61.2000125.7
426F29.2Very low34.4Very low198 Ų198139.9 Ų139.987%0.86880%0.803SS**  trans66.395162.2-85.6-81.4000121.1
427T35.9Very low34.9Very low106 Ų106133.7 Ų133.765%0.6579%0.793SS**  trans-94.2-174144.156.10000109.7
428P41.7Very low35.1Very low132 Ų132134.5 Ų134.586%0.85779%0.791SS**  -134.9144.310237-28.5000114.6
429F31.9Very low35.5Very low199 Ų199134 Ų13487%0.87379%0.79SS**  trans-108.1124.5173.2-132.8-84.1000110
430G30.9Very low35.9Very low66 Ų66134.8 Ų134.868%0.6879%0.786SS**  trans60.9166.3149.500000121.4
431S34.9Very low36.3Very low129 Ų129133.1 Ų133.190%0.90278%0.78SS**  -173.4136.9128.1-82.10000111.8
432V32.4Very low36.4Very low143 Ų143132.4 Ų132.487%0.86778%0.782SS**  trans-123.4117.5172.3169.60000108.7
433I34.6Very low36.4Very low172 Ų172135.7 Ų135.788%0.88278%0.782SS**  trans-154.5132.1157.4-56.2-174.3000107.6
434G33.5Very low36.4Very low70 Ų70135.8 Ų135.872%0.72278%0.776SS**  trans-174.424.7-175.300000123.2
435R37.4Very low36.6Very low226 Ų226135.6 Ų135.685%0.85377%0.772SS**  trans44.9105.4158.5-61.3-178-175.8179.81.3120.7
436T35.5Very low37Very low124 Ų124133.9 Ų133.976%0.76177%0.768SS**  28.2152.911656.10000122.2
437P44.6Very low37.2Very low100 Ų100135.2 Ų135.265%0.64977%0.767SS**  cis-138.3-153.8-0.628.6-1.1000113.8
438D40.4Very low37.5Very low127 Ų127133.5 Ų133.568%0.67976%0.764SS**  trans79.7115.7155.5-47.1-30.6000119.4
439D43.2Very low37.6Very low146 Ų146135.2 Ų135.278%0.78177%0.766SS**  trans47.4143.1130.6-49.7-25000121.3
440D41.6Very low38.1Very low122 Ų122129 Ų12965%0.65276%0.758SS**  cis-151.51649.6-154.9-10.6000112.2
441Q42.2Very low38.9Very low171 Ų171133.9 Ų133.980%0.79976%0.763SS**  trans57.3148.5144.8-131107.1127.900121.2
442G38.9Very low39.1Very low70 Ų70130.7 Ų130.772%0.72274%0.74SS**  trans122.371.4138.900000116.5
443D34.4Very low39.7Very low143 Ų143126.6 Ų126.677%0.76571%0.713SS**  trans-10.6128.7156.5-69.6-29.6000118.2
444L34.2Very low40.2Very low137 Ų137120.4 Ų120.472%0.71769%0.687SS**  77.1110.657.6-68.5-176.9000115.7
445T38.9Very low41.1Very low123 Ų123120.2 Ų120.276%0.75567%0.673SS**  trans83.8179.7130.176.40000117.7
446P40.2Very low41.7Very low107 Ų107112.6 Ų112.670%0.69565%0.653SS**  -145.2-162.8-104.540.1-15.5000115.4
447R33.4Very low42.8Very low227 Ų227107.2 Ų107.286%0.85762%0.622SS**  161125.7118.1-87.2177.582.9108.1-2.7115.9
448A43.2Very low43.4Very low70 Ų70105.6 Ų105.658%0.57961%0.613SS**  72.7104.8128.700000123.8
449N43.6Very low43.7Very low167 Ų167106.9 Ų106.989%0.89361%0.613SS**  65.4138.6115.5-56.1-3000123.1
450G42Very low43.8Very low68 Ų68105.5 Ų105.570%0.70161%0.61SS**  160.21.3110.100000126.3
451H47.7Very low43.8Very low170 Ų170102.7 Ų102.779%0.78761%0.61SS**  trans47.8111158.1-81.4-63.9000123.7
452S38.3Very low43.7Very low61 Ų61100.7 Ų100.743%0.42761%0.613SS.*  74.5128.2111.7-63.80000125.6
453L46Very low43.8Very low58 Ų58106 Ų10630%0.30462%0.624SS.*  trans77.4154136.9-65.2168.7000119.2E547L453-E547 WeakPolarHBondContact CD2-O 3.46Å
454A44.8Very low43.9Very low41 Ų41108 Ų10834%0.33963%0.625SS.*  cis-162.6172.8-2.200000114.9V83V83-A454 HydrophobicContact CG1-CB 3.97Å; V83-A454 WeakPolarHBondContact CG1-O 3.12Å
455P52.5Low44.2Very low66 Ų66111 Ų11143%0.42963%0.627SS.*  trans-100-155.9169.443.7-38.3000111.6
456P50.9Low44.2Very low66 Ų66114.8 Ų114.843%0.42963%0.628SS.*  cis-140.6-179.6-7.144.1-26.2000117.4A62A62-P456 WeakPolarHBondContact CA-O 3.43Å; A62-P456 WeakPolarHBondContact CB-O 3.49Å; A62-P456 PolarHBondContact N-O 2.83Å
457G58.3Low44.2Very low11 Ų11114.8 Ų114.811%0.11363%0.63CS.*  trans122.4158.1141.100000118.7A62 Q65 K66A62-G457 CarbonylContact O-C 3.6Å; Q65-G457 CarbonylContact C-O 3.59Å; Q65-G457 WeakPolarHBondContact CB-O 3.33Å; Q65-G457 VanDerWaalsContact CD-N 3.33Å; Q65-G457 WeakPolarHBondContact CG-O 3.35Å; K66-G457 PolarHBondContact N-O 2.83Å
458S56.7Low44.8Very low66 Ų66111.8 Ų111.846%0.46263%0.629SS.*  cis-153.9-130.8-14.6-179.80000104.8A62A62-S458 PolarHBondContact O-N 3.06Å
459F46.8Very low45Very low155 Ų155112.9 Ų112.968%0.6864%0.638SS**  cis-177138.2-16.1-163.6-121.3000101.9K66K66-F459 HydrophobicContact CD-CB 4.47Å
460V45.3Very low45.1Very low116 Ų116108.4 Ų108.470%0.70363%0.631SS**  cis-147.9179.411.2-110.30000106.8
461G41.7Very low45.6Very low64 Ų64117.4 Ų117.466%0.6664%0.644SS**  cis133.1176.2300000113.1
462C39.5Very low46.1Very low128 Ų128113.7 Ų113.787%0.86564%0.643SS**  trans61.4105.9175.9-70.60000119.7
463I41.2Very low47.4Very low183 Ų183116 Ų11694%0.93866%0.657SS**  trans-158.2162.3134.2-105158.4000108.9
464K37.7Very low48.5Very low185 Ų185119.1 Ų119.180%0.80468%0.68SS**  trans-150.8132-158.3171-174.5-179.7176.30112.3
465R39.2Very low49.7Very low199 Ų199122.5 Ų122.575%0.75170%0.699SS**  trans169.2139.6137.6-95.9160.2-179-160.7-0.9116.8
466R40Very low50Low203 Ų203123 Ų12377%0.76670%0.702SS**  trans71.2103.4141.1-73.5-171.4-75-139.37.4123.5
467S38.6Very low50.7Low106 Ų106126 Ų12674%0.74172%0.722SS**  65.2110.595.5-175.80000122.3
468I46.7Very low51.2Low165 Ų165131 Ų13185%0.84675%0.749SS**  trans-152114.4139.5-84127.7000103.3
469A48.5Very low50.5Low92 Ų92131.6 Ų131.676%0.7674%0.742SS**  91.5121.954.500000113.8
470G45.5Very low50.9Low73 Ų73136 Ų13675%0.75375%0.754SS**  trans116.180.415500000120.4
471R50.9Low50.7Low257 Ų257136.7 Ų136.797%0.9775%0.753SS**  170.7149.5126.2-93.3168.6-172.7-92.7-0.5111.7
472A59.3Low51.1Low92 Ų92139.7 Ų139.776%0.7676%0.764SS**  trans-106157.7-177.900000111.9
473P64.5Low51.2Low111 Ų111137.5 Ų137.572%0.72176%0.756SS**PPolyproline II helixtrans-78.4151.5178.832.7-35.4000113
474P70.4Confident51.3Low123 Ų123136.5 Ų136.580%0.79975%0.751SS**PPolyproline II helixtrans-83.7157.317534.1-34.9000113.4
475P69.3Low51.6Low112 Ų112133.3 Ų133.373%0.72775%0.746SS**PPolyproline II helixtrans-83.6162.9-176.834.5-37.1000114.4
476P58.8Low51.9Low77 Ų77128.6 Ų128.650%0.574%0.744SS.*PPolyproline II helixtrans-77.3139.8-179.430.2-34.5000113.8N275N275-P476 WeakPolarHBondContact OD1-CG 3.3Å
477P66Low52Low129 Ų129123.6 Ų123.684%0.83875%0.746SS**PPolyproline II helixtrans-70.2159.1174.9-21.534.5000115.2
478V68.3Low52.6Low114 Ų114125.1 Ų125.169%0.69175%0.751SS**  trans-107.1146.6-172.9176.20000112.1
479R42.5Very low52.6Low80 Ų80123 Ų12330%0.30275%0.748SS.*  trans-60.9149.5176.8-59.4-176.391.4-143.3-2.6112.3E269 S271E269-R479 IonicContact OE2-NH2 2.72Å; E269-R479 PolarHBondContact OE2-NH2 3.26Å; S271-R479 WeakPolarHBondContact O-CD 3.18Å; S271-R479 PolarHBondContact O-NH1 3.01Å; S271-R479 PolarHBondContact OG-NE 3.41Å
480R54.5Low52.8Low247 Ų247126.5 Ų126.593%0.93275%0.754SS**  trans-120.6138.2169.5-85.7-178.6158.3156.6-5.4110.3
481N41.5Very low52.7Low130 Ų130127.7 Ų127.770%0.69576%0.757SS**  trans-107.4134.3179.7-57-11.1000110
482S49.6Very low52.9Low127 Ų127121.5 Ų121.589%0.88875%0.75SS**  trans-174.4152161.7-74.40000109.1
483A41.6Very low52.7Low83 Ų83120.9 Ų120.969%0.68675%0.745SS**  174.9143.6-56.700000107.8
484I44.5Very low52Low162 Ų162121.9 Ų121.983%0.83175%0.749SS**  trans65145.2173.5-10.2-173.9000113.1
485T44.3Very low51Low117 Ų117123.1 Ų123.172%0.71875%0.748SS**  cis-152.8161.819-38.50000113.2
486S44.3Very low49.7Very low101 Ų101121.2 Ų121.271%0.70674%0.742SS**  trans65.693.5151.350.10000121.8
487A43.3Very low49Very low98 Ų98124 Ų12481%0.8176%0.758SS**  56.111211400000122.2
488T49.3Very low48Very low138 Ų138129.2 Ų129.285%0.84776%0.761SS**  trans-144.8126.1144.4-34.70000109.8N490T488-N490 PolarHBondContact O-N 3.25Å
489P46.9Very low46.5Very low119 Ų119128.6 Ų128.677%0.77376%0.761SS**  trans-9594.4-173.734.4-32.4000112.9
490N53.5Low46.2Very low166 Ų166128.2 Ų128.289%0.88878%0.783SS**  trans-166.768.8165.9-102.7-30.5000112.4T488T488-N490 PolarHBondContact O-N 3.25Å
491A43.1Very low45.5Very low99 Ų99121.7 Ų121.782%0.81878%0.775SS**  trans-117.9116.6177.200000111.3
492P55.7Low45.2Very low127 Ų127127.2 Ų127.283%0.82579%0.786SS**  trans-69.9149.8171-18.933.1000112.6
493A53.8Low44.6Very low78 Ų78126.6 Ų126.665%0.64578%0.781SS**  trans-76.9154.4-174.300000114.4D495A493-D495 VanDerWaalsContact C-N 3.29Å; A493-D495 PolarHBondContact O-N 3.38Å
494V51.7Low44.2Very low133 Ų133127.5 Ų127.581%0.80679%0.788SS**G310 helixtrans-72.2-15.3-166-153.20000114.2A496V494-A496 VanDerWaalsContact C-N 3.34Å; V494-A496 PolarHBondContact O-N 3.38Å
495D48.5Very low44.1Very low148 Ų148124.7 Ų124.779%0.79178%0.778SS**G310 helixtrans-75.7-14.2-175.6-64.8-70000115A493 V497A493-D495 VanDerWaalsContact C-N 3.29Å; A493-D495 PolarHBondContact O-N 3.38Å; D495-V497 PolarHBondContact O-N 3.4Å
496A42.8Very low43.9Very low73 Ų73125.9 Ų125.960%0.60379%0.788SS**G310 helixtrans-72.8-22.7-175.500000114.4V494 R498 S499V494-A496 VanDerWaalsContact C-N 3.34Å; V494-A496 PolarHBondContact O-N 3.38Å; A496-R498 PolarHBondContact O-N 3.1Å; A496-R498 VanDerWaalsContact O-N 3.13Å; A496-S499 PolarHBondContact O-N 3.45Å
497V42.9Very low43.9Very low136 Ų136124.5 Ų124.582%0.82479%0.79SS**G310 helixtrans-72-9.1-170.3-176.30000113.1D495 S499D495-V497 PolarHBondContact O-N 3.4Å; V497-S499 VanDerWaalsContact C-N 3.34Å; V497-S499 PolarHBondContact O-N 2.89Å
498R45.7Very low44Very low237 Ų237125.1 Ų125.189%0.89478%0.784SS**G310 helixtrans-86.13.2178.6-157.3166.6-177.2143.31.9114.6A496A496-R498 PolarHBondContact O-N 3.1Å; A496-R498 VanDerWaalsContact O-N 3.13Å
499S37.5Very low43.8Very low101 Ų101124.7 Ų124.771%0.70678%0.776SS**  trans-112.929-166.1-62.40000115.4A496 V497 S501A496-S499 PolarHBondContact O-N 3.45Å; V497-S499 VanDerWaalsContact C-N 3.34Å; V497-S499 PolarHBondContact O-N 2.89Å; S499-S501 PolarHBondContact O-N 3.33Å; S499-S501 VanDerWaalsContact O-N 3.07Å
500G36.2Very low43.7Very low73 Ų73125 Ų12575%0.75378%0.779SS**  trans-66.4101.7175.700000113.8
501S39Very low43.8Very low110 Ų110118.8 Ų118.877%0.76975%0.749SS**  trans40.674.6159.2-59.90000118.4S499 C503S499-S501 PolarHBondContact O-N 3.33Å; S499-S501 VanDerWaalsContact O-N 3.07Å; S501-C503 PolarHBondContact O-N 2.96Å
502R35.7Very low44.5Very low245 Ų245118.3 Ų118.393%0.92573%0.733SS**  trans-87.490152.3-96.5-176.1-75.5-159.7-3.9110.4
503C35.9Very low44.8Very low115 Ų115118.8 Ų118.878%0.77772%0.722SS**  trans-93.6101.2166.9-66.20000109S501S501-C503 PolarHBondContact O-N 2.96Å
504A34.6Very low45.5Very low101 Ų101118.2 Ų118.284%0.83571%0.713SS**  trans-90.7105.9-17700000111.7
505T42.1Very low46.4Very low103 Ų103112.4 Ų112.463%0.63268%0.678SS**  trans-120119.4162.945.20000109.4G507T505-G507 PolarHBondContact O-N 3.26Å
506P39.4Very low47.5Very low143 Ų143108 Ų10893%0.92966%0.658SS**THydrogen-bonded Turntrans-77111.5-174.729.8-33.4000111.3
507G44.1Very low48.8Very low71 Ų71111.7 Ų111.773%0.73266%0.661SS**THydrogen-bonded Turntrans147.9-24.3169.100000115.8T505 N509T505-G507 PolarHBondContact O-N 3.26Å; G507-N509 PolarHBondContact O-N 2.95Å
508T45.6Very low50.2Low112 Ų112107.3 Ų107.369%0.68764%0.636SS**  trans-84.2104.4177.649.50000110.7
509N44.2Very low51.7Low129 Ų12997.6 Ų97.669%0.6960%0.6SS**  trans-63.5136.6175.1-67.6-33.5000110.7G507 S511G507-N509 PolarHBondContact O-N 2.95Å; N509-S511 WeakPolarHBondContact CB-OG 3.24Å; N509-S511 PolarHBondContact O-N 2.9Å
510C45.7Very low53.6Low124 Ų12497.8 Ų97.884%0.83859%0.588SS**THydrogen-bonded Turntrans-73.415.7173.1-65.50000113.6
511S55Low55.5Low37 Ų37100.1 Ų100.126%0.25958%0.578SS.*Hα-helixtrans-67.1-39.7178.736.60000112.7N509 S514 V515N509-S511 WeakPolarHBondContact CB-OG 3.24Å; N509-S511 PolarHBondContact O-N 2.9Å; S511-S514 WeakPolarHBondContact O-CA 3.39Å; S511-S514 WeakPolarHBondContact O-CB 3.38Å; S511-S514 PolarHBondContact O-N 3.08Å; S511-V515 PolarHBondContact O-N 3.12Å; S511-V515 VanDerWaalsContact O-N 3.14Å
512D58.9Low57.2Low88 Ų8895.2 Ų95.247%0.47154%0.543SS..Hα-helixtrans-76.9-40.9-155.2-57.810.7000111.6S514 V515D512-S514 PolarHBondContact O-N 3.42Å; D512-V515 PolarHBondContact O-N 2.79Å
513F60.4Low59.2Low137 Ų13786.8 Ų86.860%0.60151%0.514SS*.Hα-helixtrans-63.7-29.2167.4-79.2-79.8000112.8C516 F517F513-C516 PolarHBondContact O-N 3.35Å; F513-F517 WeakPolarHBondContact O-CB 3.44Å; F513-F517 PolarHBondContact O-N 2.97Å
514S68.8Low61.2Low66 Ų6686.6 Ų86.646%0.46250%0.502SS..Hα-helixtrans-68-34.1178.4-162.50000112.1S511 D512 S518S511-S514 WeakPolarHBondContact O-CA 3.39Å; S511-S514 WeakPolarHBondContact O-CB 3.38Å; S511-S514 PolarHBondContact O-N 3.08Å; D512-S514 PolarHBondContact O-N 3.42Å; S514-S518 WeakPolarHBondContact O-CB 3.12Å; S514-S518 PolarHBondContact O-N 3.38Å; S514-S518 PolarHBondContact O-OG 3.09Å
515V70.7Confident63.2Low11 Ų1183.9 Ų83.97%0.06748%0.475CS..Hα-helixtrans-63.4-49.3174.8-176.80000110.4L25 Q26 M29 S511 D512 S518 Y519L25-V515 HydrophobicContact CB-CG1 4.4Å; L25-V515 HydrophobicContact CD2-CG1 3.62Å; L25-V515 HydrophobicContact CG-CG1 3.74Å; Q26-V515 HydrophobicContact CB-CG2 4.23Å; Q26-V515 HydrophobicContact CG-CG2 4.29Å; M29-V515 HydrophobicContact CG-CG1 4.46Å; S511-V515 PolarHBondContact O-N 3.12Å; S511-V515 VanDerWaalsContact O-N 3.14Å; D512-V515 PolarHBondContact O-N 2.79Å; V515-S518 PolarHBondContact O-N 3.05Å; V515-Y519 PolarHBondContact O-N 3.44Å
516C71.3Confident65.2Low55 Ų5579 Ų7937%0.37245%0.445SS..Hα-helixtrans-62.5-48.7-179.5-58.60000111.9F513 S518 Y519 F520F513-C516 PolarHBondContact O-N 3.35Å; C516-S518 VanDerWaalsContact C-N 3.28Å; C516-S518 PolarHBondContact O-N 3.14Å; C516-Y519 WeakPolarHBondContact O-CB 2.99Å; C516-Y519 PolarHBondContact O-N 3.39Å; C516-F520 WeakPolarHBondContact O-CD2 3.28Å; C516-F520 PolarHBondContact O-N 3.42Å
517F71Confident67.3Low152 Ų15273.4 Ų73.467%0.66741%0.409SS*.Hα-helixtrans-61.6-36.2176.8-176-99.8000112.4F513 Y519 K521F513-F517 WeakPolarHBondContact O-CB 3.44Å; F513-F517 PolarHBondContact O-N 2.97Å; F517-Y519 VanDerWaalsContact C-N 3.31Å; F517-Y519 PolarHBondContact O-N 3.25Å; F517-K521 PolarHBondContact O-N 2.96Å
518S73.5Confident69.1Low43 Ų4374.5 Ų74.530%0.30140%0.398SS..Hα-helixtrans-67.2-31.5174.4-620000112.3M29 S514 V515 C516 K521 I522M29-S518 VanDerWaalsContact CE-CB 3.48Å; M29-S518 VanDerWaalsContact CE-O 3.3Å; M29-S518 WeakPolarHBondContact CE-O 3.19Å; S514-S518 WeakPolarHBondContact O-CB 3.12Å; S514-S518 PolarHBondContact O-N 3.38Å; S514-S518 PolarHBondContact O-OG 3.09Å; V515-S518 PolarHBondContact O-N 3.05Å; C516-S518 VanDerWaalsContact C-N 3.28Å; C516-S518 PolarHBondContact O-N 3.14Å; S518-K521 PolarHBondContact O-N 3.31Å; S518-I522 WeakPolarHBondContact O-CG1 3.47Å; S518-I522 PolarHBondContact O-N 3.36Å
519Y76.8Confident70.8Confident34 Ų3469.9 Ų69.913%0.13337%0.37CS..Hα-helixtrans-69.2-48.6-179.9-173.8-107.2000112.1L25 M29 W32 F112 V515 C516 F517 K521 I522 E523L25-Y519 HydrophobicContact CD1-CD2 4.02Å; L25-Y519 HydrophobicContact CD1-CE2 4.42Å; M29-Y519 VanDerWaalsContact CE-CA 3.44Å; M29-Y519 HydrophobicContact CE-CD2 4.45Å; M29-Y519 HydrophobicContact SD-CD2 4.27Å; W32-Y519 HydrophobicContact CE3-CE2 4.29Å; W32-Y519 HydrophobicContact CZ3-CD2 4.07Å; W32-Y519 AromaticContact CZ3-CE2 3.68Å; W32-Y519 HydrophobicContact CZ3-CE2 3.68Å; F112-Y519 WeakPolarHBondContact CD1-OH 3.31Å; F112-Y519 VanDerWaalsContact CE1-OH 3.25Å; F112-Y519 WeakPolarHBondContact CE1-OH 3.03Å; V515-Y519 PolarHBondContact O-N 3.44Å; C516-Y519 WeakPolarHBondContact O-CB 2.99Å; C516-Y519 PolarHBondContact O-N 3.39Å; F517-Y519 VanDerWaalsContact C-N 3.31Å; F517-Y519 PolarHBondContact O-N 3.25Å; Y519-K521 PolarHBondContact O-N 2.88Å; Y519-I522 PolarHBondContact O-N 3.07Å; Y519-E523 PolarHBondContact O-N 3.39Å
520F75.8Confident72.7Confident104 Ų10464 Ų6446%0.45634%0.338SS..Hα-helixtrans-55-38.1171.1-74.4-72.6000112.2P301 C516 I522 E523 E524P301-F520 HydrophobicContact CB-CE1 4.4Å; P301-F520 HydrophobicContact CB-CE2 4.27Å; P301-F520 HydrophobicContact CB-CZ 3.71Å; C516-F520 WeakPolarHBondContact O-CD2 3.28Å; C516-F520 PolarHBondContact O-N 3.42Å; F520-I522 PolarHBondContact O-N 3.15Å; F520-E523 PolarHBondContact O-N 2.87Å; F520-E524 WeakPolarHBondContact O-CB 3.19Å; F520-E524 PolarHBondContact O-N 3.38Å
521K76.3Confident74.6Confident123 Ų12364.9 Ų64.954%0.53533%0.325SS..Hα-helixtrans-69.8-27.6177.1-165.9166.1-171.8165.40114.1F517 S518 Y519 T525F517-K521 PolarHBondContact O-N 2.96Å; S518-K521 PolarHBondContact O-N 3.31Å; Y519-K521 PolarHBondContact O-N 2.88Å; K521-T525 WeakPolarHBondContact O-CB 3.19Å; K521-T525 PolarHBondContact O-N 3.24Å; K521-T525 PolarHBondContact O-OG1 2.93Å
522I75.2Confident76Confident6 Ų664.8 Ų64.83%0.03133%0.326CS..Hα-helixtrans-76.2-42171.3-70.4-176.7000110.6M29 W32 R33 S518 Y519 F520 T525 Y526M29-I522 HydrophobicContact CB-CD1 4.46Å; M29-I522 HydrophobicContact CE-CD1 3.38Å; M29-I522 HydrophobicContact CE-CG1 4.05Å; M29-I522 WeakPolarHBondContact O-CD1 3.03Å; M29-I522 HydrophobicContact SD-CD1 4.27Å; W32-I522 HydrophobicContact CB-CD1 4.12Å; W32-I522 HydrophobicContact CB-CG2 4.11Å; R33-I522 HydrophobicContact CB-CD1 3.87Å; R33-I522 HydrophobicContact CB-CG1 4.16Å; R33-I522 HydrophobicContact CG-CG1 4.48Å; S518-I522 WeakPolarHBondContact O-CG1 3.47Å; S518-I522 PolarHBondContact O-N 3.36Å; Y519-I522 PolarHBondContact O-N 3.07Å; F520-I522 PolarHBondContact O-N 3.15Å; I522-T525 CarbonylContact O-C 3.45Å; I522-T525 WeakPolarHBondContact O-CA 3.45Å; I522-T525 WeakPolarHBondContact O-CB 3.42Å; I522-T525 PolarHBondContact O-N 2.87Å; I522-Y526 HydrophobicContact CG2-CD2 3.69Å; I522-Y526 HydrophobicContact CG2-CE2 3.75Å; I522-Y526 WeakPolarHBondContact O-CD2 3.4Å; I522-Y526 PolarHBondContact O-N 3.09Å
523E78Confident77.1Confident68 Ų6860.8 Ų60.832%0.31831%0.305SS..Hα-helixtrans-58.8-49.4175.2-164.3-76.7112.300110.6F112 Y519 F520 T525 Y526 S527F112-E523 HydrophobicContact CZ-CG 4.29Å; Y519-E523 PolarHBondContact O-N 3.39Å; F520-E523 PolarHBondContact O-N 2.87Å; E523-T525 PolarHBondContact O-N 2.59Å; E523-Y526 PolarHBondContact O-N 2.96Å; E523-Y526 VanDerWaalsContact O-N 3.13Å; E523-S527 WeakPolarHBondContact O-CB 3.07Å; E523-S527 PolarHBondContact O-N 3Å; E523-S527 PolarHBondContact OE1-OG 2.96Å
524E77.5Confident78.4Confident112 Ų11254.9 Ų54.952%0.52328%0.28SS..Hα-helixtrans-52.3-41.6170.5-173.1-166.5-175.200111.8F520 N528F520-E524 WeakPolarHBondContact O-CB 3.19Å; F520-E524 PolarHBondContact O-N 3.38Å; E524-N528 VanDerWaalsContact O-CB 3.31Å; E524-N528 WeakPolarHBondContact O-CB 3.44Å; E524-N528 PolarHBondContact O-N 3.36Å; E524-N528 PolarHBondContact O-ND2 2.94Å
525T77.4Confident79.1Confident43 Ų4354.8 Ų54.826%0.26428%0.283SS..Hα-helixtrans-66.7-45.8178.7-58.50000111.7A36 K521 I522 E523 N528 V529A36-T525 HydrophobicContact CB-CG2 3.77Å; K521-T525 WeakPolarHBondContact O-CB 3.19Å; K521-T525 PolarHBondContact O-N 3.24Å; K521-T525 PolarHBondContact O-OG1 2.93Å; I522-T525 CarbonylContact O-C 3.45Å; I522-T525 WeakPolarHBondContact O-CA 3.45Å; I522-T525 WeakPolarHBondContact O-CB 3.42Å; I522-T525 PolarHBondContact O-N 2.87Å; E523-T525 PolarHBondContact O-N 2.59Å; T525-N528 PolarHBondContact O-N 3.14Å; T525-V529 WeakPolarHBondContact O-CG2 3.45Å; T525-V529 PolarHBondContact O-N 2.71Å
526Y83.7Confident79.6Confident2 Ų257.1 Ų57.11%0.00829%0.29CS..Hα-helixtrans-66.1-44.2177.3-87.7-79.7000112.2W32 N35 A36 M39 E107 Q111 I522 E523 N528 V529 I530W32-Y526 HydrophobicContact CB-CE2 4.48Å; W32-Y526 PolarHBondContact O-OH 3.48Å; W32-Y526 VanDerWaalsContact O-OH 3.13Å; N35-Y526 WeakPolarHBondContact CB-OH 3.36Å; A36-Y526 HydrophobicContact CB-CD1 4.45Å; A36-Y526 HydrophobicContact CB-CD2 4.07Å; A36-Y526 HydrophobicContact CB-CE1 4.05Å; A36-Y526 HydrophobicContact CB-CE2 3.61Å; A36-Y526 HydrophobicContact CB-CG 4.46Å; A36-Y526 PolarHBondContact N-OH 3.45Å; M39-Y526 HydrophobicContact SD-CE1 4.42Å; E107-Y526 HydrophobicContact CB-CE1 4.28Å; E107-Y526 HydrophobicContact CG-CE1 3.62Å; E107-Y526 WeakPolarHBondContact CG-OH 3.47Å; Q111-Y526 VanDerWaalsContact NE2-CE2 3.28Å; Q111-Y526 PolarHBondContact NE2-OH 3.47Å; I522-Y526 HydrophobicContact CG2-CD2 3.69Å; I522-Y526 HydrophobicContact CG2-CE2 3.75Å; I522-Y526 WeakPolarHBondContact O-CD2 3.4Å; I522-Y526 PolarHBondContact O-N 3.09Å; E523-Y526 PolarHBondContact O-N 2.96Å; E523-Y526 VanDerWaalsContact O-N 3.13Å; Y526-N528 VanDerWaalsContact C-N 3.34Å; Y526-N528 PolarHBondContact O-N 2.93Å; Y526-V529 PolarHBondContact O-N 3.3Å; Y526-V529 VanDerWaalsContact O-N 3.15Å; Y526-I530 VanDerWaalsContact O-CG1 3.31Å; Y526-I530 WeakPolarHBondContact O-CG1 3.48Å; Y526-I530 PolarHBondContact O-N 2.85Å
527S83.2Confident80.3Confident25 Ų2554.9 Ų54.918%0.17528%0.275CS..Hα-helixtrans-59.2-43.9175.4-80.30000111.2E523 V529 I530 Y531E523-S527 WeakPolarHBondContact O-CB 3.07Å; E523-S527 PolarHBondContact O-N 3Å; E523-S527 PolarHBondContact OE1-OG 2.96Å; S527-V529 PolarHBondContact O-N 3.17Å; S527-I530 PolarHBondContact O-N 2.72Å; S527-Y531 WeakPolarHBondContact O-CD2 3.47Å; S527-Y531 PolarHBondContact O-N 2.95Å
528N82.8Confident80.8Confident94 Ų9449.2 Ų49.250%0.50325%0.253SS..Hα-helixtrans-59.8-42.6172.5-85.5-60.6000113.4E524 T525 Y526 A532E524-N528 VanDerWaalsContact O-CB 3.31Å; E524-N528 WeakPolarHBondContact O-CB 3.44Å; E524-N528 PolarHBondContact O-N 3.36Å; E524-N528 PolarHBondContact O-ND2 2.94Å; T525-N528 PolarHBondContact O-N 3.14Å; Y526-N528 VanDerWaalsContact C-N 3.34Å; Y526-N528 PolarHBondContact O-N 2.93Å; N528-A532 WeakPolarHBondContact O-CB 3.08Å; N528-A532 PolarHBondContact O-N 3.35Å
529V80.6Confident81.2Confident15 Ų1549.1 Ų49.19%0.09125%0.254CS..Hα-helixtrans-62.8-45.8175.4170.90000110.8D40 T525 Y526 S527 A532 L533D40-V529 HydrophobicContact CB-CG2 4.18Å; T525-V529 WeakPolarHBondContact O-CG2 3.45Å; T525-V529 PolarHBondContact O-N 2.71Å; Y526-V529 PolarHBondContact O-N 3.3Å; Y526-V529 VanDerWaalsContact O-N 3.15Å; S527-V529 PolarHBondContact O-N 3.17Å; V529-A532 PolarHBondContact O-N 3.46Å; V529-L533 HydrophobicContact CG1-CD1 3.78Å; V529-L533 HydrophobicContact CG1-CG 4.25Å; V529-L533 WeakPolarHBondContact O-CB 3.14Å; V529-L533 VanDerWaalsContact O-CG 3.23Å; V529-L533 WeakPolarHBondContact O-CG 3.47Å; V529-L533 PolarHBondContact O-N 2.89Å
530I85Confident81.4Confident6 Ų649 Ų493%0.03126%0.255CS..Hα-helixtrans-63.7-43.2179.9-69.3162.3000111.2A104 L105 Q108 Y526 S527 L533 N534A104-I530 HydrophobicContact CB-CD1 4.49Å; A104-I530 HydrophobicContact CB-CG1 3.7Å; L105-I530 HydrophobicContact CD2-CD1 4.19Å; L105-I530 HydrophobicContact CD2-CG2 4.12Å; Q108-I530 HydrophobicContact CB-CD1 4.11Å; Q108-I530 HydrophobicContact CG-CD1 4.45Å; Y526-I530 VanDerWaalsContact O-CG1 3.31Å; Y526-I530 WeakPolarHBondContact O-CG1 3.48Å; Y526-I530 PolarHBondContact O-N 2.85Å; S527-I530 PolarHBondContact O-N 2.72Å; I530-L533 PolarHBondContact O-N 2.85Å; I530-N534 WeakPolarHBondContact O-CB 3.27Å; I530-N534 PolarHBondContact O-N 3.02Å; I530-N534 PolarHBondContact O-ND2 3.36Å
531Y84.9Confident81.7Confident141 Ų14146.2 Ų46.255%0.55324%0.243SC*.Hα-helixtrans-61.5-44.3173.3-75.5-58000112.1S527 L533 N534 A535S527-Y531 WeakPolarHBondContact O-CD2 3.47Å; S527-Y531 PolarHBondContact O-N 2.95Å; Y531-L533 PolarHBondContact O-N 3.31Å; Y531-N534 PolarHBondContact O-N 3.2Å; Y531-A535 VanDerWaalsContact O-CB 3.3Å; Y531-A535 WeakPolarHBondContact O-CB 3.48Å; Y531-A535 PolarHBondContact O-N 3.04Å
532A84.2Confident81.8Confident35 Ų3545 Ų4529%0.28924%0.242SC..Hα-helixtrans-63.6-39.6177.800000112.7N528 V529 R536N528-A532 WeakPolarHBondContact O-CB 3.08Å; N528-A532 PolarHBondContact O-N 3.35Å; V529-A532 PolarHBondContact O-N 3.46Å; A532-R536 VanDerWaalsContact O-CG 3.24Å; A532-R536 WeakPolarHBondContact O-CG 3.27Å; A532-R536 PolarHBondContact O-N 2.92Å; A532-R536 VanDerWaalsContact O-N 3.16Å
533L83.3Confident81.9Confident5 Ų549 Ų493%0.02626%0.264CS..Hα-helixtrans-67.5-47.8175.5-68.7172.1000111.6H43 A100 V101 A104 V529 I530 Y531 A535 R536 L537H43-L533 HydrophobicContact CB-CD2 4.18Å; H43-L533 VanDerWaalsContact CE1-CD2 3.41Å; H43-L533 WeakPolarHBondContact CE1-CD2 3.36Å; H43-L533 VanDerWaalsContact ND1-CD2 3.25Å; H43-L533 WeakPolarHBondContact ND1-CD2 3.11Å; A100-L533 HydrophobicContact CB-CD2 3.97Å; V101-L533 HydrophobicContact CG2-CB 3.68Å; A104-L533 HydrophobicContact CB-CD1 3.62Å; V529-L533 HydrophobicContact CG1-CD1 3.78Å; V529-L533 HydrophobicContact CG1-CG 4.25Å; V529-L533 WeakPolarHBondContact O-CB 3.14Å; V529-L533 VanDerWaalsContact O-CG 3.23Å; V529-L533 WeakPolarHBondContact O-CG 3.47Å; V529-L533 PolarHBondContact O-N 2.89Å; I530-L533 PolarHBondContact O-N 2.85Å; Y531-L533 PolarHBondContact O-N 3.31Å; L533-A535 VanDerWaalsContact C-N 3.33Å; L533-A535 PolarHBondContact O-N 2.86Å; L533-R536 PolarHBondContact O-N 3.16Å; L533-L537 WeakPolarHBondContact O-CB 3.49Å; L533-L537 PolarHBondContact O-N 3.24Å
534N86.2Confident81.7Confident13 Ų1348.2 Ų48.27%0.0726%0.258CS..Hα-helixtrans-62.7-37.9178.2-80.5-33.8000112.4V101 I530 Y531 T538V101-N534 WeakPolarHBondContact CG1-OD1 3.47Å; I530-N534 WeakPolarHBondContact O-CB 3.27Å; I530-N534 PolarHBondContact O-N 3.02Å; I530-N534 PolarHBondContact O-ND2 3.36Å; Y531-N534 PolarHBondContact O-N 3.2Å; N534-T538 WeakPolarHBondContact O-CB 3.19Å; N534-T538 PolarHBondContact O-N 3.31Å; N534-T538 PolarHBondContact O-OG1 2.99Å
535A84.7Confident81.5Confident64 Ų6446.1 Ų46.153%0.52925%0.25SS..Hα-helixtrans-63.9-42.417400000112.1Y531 L533 A539Y531-A535 VanDerWaalsContact O-CB 3.3Å; Y531-A535 WeakPolarHBondContact O-CB 3.48Å; Y531-A535 PolarHBondContact O-N 3.04Å; L533-A535 VanDerWaalsContact C-N 3.33Å; L533-A535 PolarHBondContact O-N 2.86Å; A535-A539 WeakPolarHBondContact O-CB 3.48Å; A535-A539 PolarHBondContact O-N 3.01Å
536R81Confident81.2Confident59 Ų5946.1 Ų46.122%0.22326%0.255CS..Hα-helixtrans-67.6-43.1176.5-66.9170.1-164-172.914.1111.8D40 H43 S44 Y47 E97 A532 L533 A539 Q540D40-R536 IonicContact OD1-NH2 2.82Å; H43-R536 PolarHBondContact CE1-NH1 2.66Å; H43-R536 PolarHBondContact ND1-NH1 2.83Å; H43-R536 WeakPolarHBondContact NE2-CD 3.29Å; H43-R536 PolarHBondContact NE2-NH1 2.82Å; S44-R536 PolarHBondContact OG-NH1 2.87Å; S44-R536 PolarHBondContact OG-NH2 3Å; Y47-R536 HydrophobicContact CE2-CB 4.17Å; Y47-R536 HydrophobicContact CE2-CG 4.37Å; E97-R536 WeakPolarHBondContact OE2-CB 3.5Å; A532-R536 VanDerWaalsContact O-CG 3.24Å; A532-R536 WeakPolarHBondContact O-CG 3.27Å; A532-R536 PolarHBondContact O-N 2.92Å; A532-R536 VanDerWaalsContact O-N 3.16Å; L533-R536 PolarHBondContact O-N 3.16Å; R536-A539 PolarHBondContact O-N 2.86Å; R536-Q540 WeakPolarHBondContact O-CG 3.44Å; R536-Q540 PolarHBondContact O-N 3.08Å
537L84.7Confident80.5Confident8 Ų849 Ų494%0.04227%0.268CS..Hα-helixtrans-59.3-46.8174.4175.159.1000111.8L94 E97 R98 V101 L533 A539 Q540 Q541L94-L537 HydrophobicContact CD1-CD1 3.81Å; E97-L537 HydrophobicContact CB-CB 4.15Å; E97-L537 HydrophobicContact CB-CD1 3.76Å; R98-L537 HydrophobicContact CG-CD1 3.85Å; R98-L537 HydrophobicContact CG-CD2 4.39Å; V101-L537 HydrophobicContact CB-CD2 4.44Å; V101-L537 HydrophobicContact CG2-CB 4.35Å; V101-L537 HydrophobicContact CG2-CD2 3.9Å; L533-L537 WeakPolarHBondContact O-CB 3.49Å; L533-L537 PolarHBondContact O-N 3.24Å; L537-A539 VanDerWaalsContact C-N 3.35Å; L537-A539 PolarHBondContact O-N 3.47Å; L537-Q540 PolarHBondContact O-N 3.23Å; L537-Q541 WeakPolarHBondContact O-CG 3Å; L537-Q541 PolarHBondContact O-N 2.88Å
538T83Confident79.4Confident34 Ų3451.1 Ų51.121%0.20927%0.274CS..Hα-helixtrans-62.4-42.9177.1-540000110.8N534 Q540 Q541 L542N534-T538 WeakPolarHBondContact O-CB 3.19Å; N534-T538 PolarHBondContact O-N 3.31Å; N534-T538 PolarHBondContact O-OG1 2.99Å; T538-Q540 PolarHBondContact O-N 3.11Å; T538-Q541 PolarHBondContact O-N 2.98Å; T538-L542 HydrophobicContact CG2-CD1 4.18Å; T538-L542 WeakPolarHBondContact O-CG 3.31Å; T538-L542 PolarHBondContact O-N 3.27Å
539A82Confident78.3Confident40 Ų4052.6 Ų52.633%0.33128%0.278SS..Hα-helixtrans-63-37.817500000112.7A535 R536 L537 N543A535-A539 WeakPolarHBondContact O-CB 3.48Å; A535-A539 PolarHBondContact O-N 3.01Å; R536-A539 PolarHBondContact O-N 2.86Å; L537-A539 VanDerWaalsContact C-N 3.35Å; L537-A539 PolarHBondContact O-N 3.47Å; A539-N543 WeakPolarHBondContact O-CB 3.2Å; A539-N543 PolarHBondContact O-N 3.06Å; A539-N543 PolarHBondContact O-ND2 3.18Å
540Q80.7Confident77.3Confident31 Ų3155.4 Ų55.415%0.14530%0.295CS..Hα-helixtrans-66.1-37.9174.3-69.2-61.5-15.100112.3L94 E97 R536 L537 T538 R544L94-Q540 HydrophobicContact CD1-CB 4.43Å; E97-Q540 HydrophobicContact CG-CG 4Å; R536-Q540 WeakPolarHBondContact O-CG 3.44Å; R536-Q540 PolarHBondContact O-N 3.08Å; L537-Q540 PolarHBondContact O-N 3.23Å; T538-Q540 PolarHBondContact O-N 3.11Å; Q540-R544 WeakPolarHBondContact O-CG 3.48Å; Q540-R544 PolarHBondContact O-N 2.86Å; Q540-R544 VanDerWaalsContact O-N 3.14Å
541Q81.3Confident75.8Confident47 Ų4756.5 Ų56.522%0.2231%0.306CS..Hα-helixtrans-63.8-53.7175.4-68.8170.91600110.8L94 L537 T538 N543 R544 D545L94-Q541 HydrophobicContact CD1-CG 4.05Å; L537-Q541 WeakPolarHBondContact O-CG 3Å; L537-Q541 PolarHBondContact O-N 2.88Å; T538-Q541 PolarHBondContact O-N 2.98Å; Q541-N543 VanDerWaalsContact C-N 3.29Å; Q541-N543 PolarHBondContact O-N 3.45Å; Q541-R544 WeakPolarHBondContact O-CA 3.43Å; Q541-R544 WeakPolarHBondContact O-CB 3.38Å; Q541-R544 PolarHBondContact O-N 2.9Å; Q541-D545 PolarHBondContact O-N 3.12Å
542L77.6Confident74.2Confident96 Ų9656 Ų5650%0.50331%0.308SS..Hα-helixtrans-57.6-37.6177.9-67.8172.3000113.2T538 D545 A546T538-L542 HydrophobicContact CG2-CD1 4.18Å; T538-L542 WeakPolarHBondContact O-CG 3.31Å; T538-L542 PolarHBondContact O-N 3.27Å; L542-D545 PolarHBondContact O-N 3.1Å; L542-A546 WeakPolarHBondContact O-CB 3.35Å; L542-A546 PolarHBondContact O-N 2.99Å
543N78.3Confident72.7Confident92 Ų9258.6 Ų58.649%0.49232%0.321SS..Hα-helixtrans-65.3-37.4173.8-84.6-91.1000112.1A539 Q541 E547A539-N543 WeakPolarHBondContact O-CB 3.2Å; A539-N543 PolarHBondContact O-N 3.06Å; A539-N543 PolarHBondContact O-ND2 3.18Å; Q541-N543 VanDerWaalsContact C-N 3.29Å; Q541-N543 PolarHBondContact O-N 3.45Å; N543-E547 WeakPolarHBondContact O-CB 3.42Å; N543-E547 VanDerWaalsContact O-CG 3.28Å; N543-E547 WeakPolarHBondContact O-CG 3.2Å; N543-E547 PolarHBondContact O-N 2.97Å
544R74.1Confident71.2Confident51 Ų5165.1 Ų65.119%0.19235%0.349CS..Hα-helixtrans-70.4-33.7175.2-73.8-160.376.3172.214.2113.1N87 N91 Q540 Q541 E547 K548N87-R544 PolarHBondContact OD1-NH2 3.15Å; N91-R544 VanDerWaalsContact OD1-CZ 3.22Å; N91-R544 PolarHBondContact OD1-NH1 3.4Å; N91-R544 PolarHBondContact OD1-NH2 3.42Å; Q540-R544 WeakPolarHBondContact O-CG 3.48Å; Q540-R544 PolarHBondContact O-N 2.86Å; Q540-R544 VanDerWaalsContact O-N 3.14Å; Q541-R544 WeakPolarHBondContact O-CA 3.43Å; Q541-R544 WeakPolarHBondContact O-CB 3.38Å; Q541-R544 PolarHBondContact O-N 2.9Å; R544-E547 PolarHBondContact O-N 3.37Å; R544-K548 WeakPolarHBondContact O-CG 3.39Å; R544-K548 PolarHBondContact O-N 3.12Å; R544-K548 VanDerWaalsContact O-N 3.17Å
545D72.4Confident69.4Low67 Ų6771.3 Ų71.336%0.35838%0.382SS..Hα-helixtrans-72.9-43.1-179.5-62.2-35.8000110.5Q541 L542 E547 K548 E549Q541-D545 PolarHBondContact O-N 3.12Å; L542-D545 PolarHBondContact O-N 3.1Å; D545-E547 VanDerWaalsContact C-N 3.29Å; D545-E547 PolarHBondContact O-N 2.82Å; D545-K548 WeakPolarHBondContact O-CB 3.19Å; D545-K548 PolarHBondContact O-N 3.25Å; D545-K548 IonicContact OD1-NZ 2.65Å; D545-K548 PolarHBondContact OD1-NZ 3.17Å; D545-E549 PolarHBondContact O-N 2.9Å
546A72Confident67.7Low44 Ų4474.4 Ų74.436%0.36439%0.389SS..Hα-helixtrans-60.9-33.9168.900000113.2L542 K548 T550L542-A546 WeakPolarHBondContact O-CB 3.35Å; L542-A546 PolarHBondContact O-N 2.99Å; A546-K548 VanDerWaalsContact C-N 3.27Å; A546-K548 PolarHBondContact O-N 3.3Å; A546-T550 WeakPolarHBondContact O-CB 3.23Å; A546-T550 WeakPolarHBondContact O-CG2 3.43Å; A546-T550 PolarHBondContact O-N 3.29Å; A546-T550 VanDerWaalsContact O-N 3.08Å; A546-T550 PolarHBondContact O-OG1 3.35Å
547E67.7Low65.8Low63 Ų6379.2 Ų79.229%0.29441%0.414SS..Hα-helixtrans-71.6-15.4173.9-78.1177.5-175.900113.6R58 L453 N543 R544 D545R58-E547 IonicContact CZ-OE1 3.64Å; R58-E547 IonicContact CZ-OE2 3.57Å; R58-E547 IonicContact NH1-OE1 3.89Å; R58-E547 PolarHBondContact NH1-OE1 3.24Å; R58-E547 IonicContact NH2-OE1 2.66Å; R58-E547 PolarHBondContact NH2-OE1 2.99Å; R58-E547 IonicContact NH2-OE2 2.65Å; R58-E547 PolarHBondContact NH2-OE2 3.04Å; L453-E547 WeakPolarHBondContact CD2-O 3.46Å; N543-E547 WeakPolarHBondContact O-CB 3.42Å; N543-E547 VanDerWaalsContact O-CG 3.28Å; N543-E547 WeakPolarHBondContact O-CG 3.2Å; N543-E547 PolarHBondContact O-N 2.97Å; R544-E547 PolarHBondContact O-N 3.37Å; D545-E547 VanDerWaalsContact C-N 3.29Å; D545-E547 PolarHBondContact O-N 2.82Å
548K61.6Low63.5Low69 Ų6984.6 Ų84.630%0.345%0.451SS..Hα-helixtrans-86.5-51.5168.6-62.7162.4-164.7164.70111.6R544 D545 A546 T550 A551 E552R544-K548 WeakPolarHBondContact O-CG 3.39Å; R544-K548 PolarHBondContact O-N 3.12Å; R544-K548 VanDerWaalsContact O-N 3.17Å; D545-K548 WeakPolarHBondContact O-CB 3.19Å; D545-K548 PolarHBondContact O-N 3.25Å; D545-K548 IonicContact OD1-NZ 2.65Å; D545-K548 PolarHBondContact OD1-NZ 3.17Å; A546-K548 VanDerWaalsContact C-N 3.27Å; A546-K548 PolarHBondContact O-N 3.3Å; K548-T550 PolarHBondContact O-N 3.28Å; K548-A551 WeakPolarHBondContact O-CA 3.4Å; K548-A551 VanDerWaalsContact O-CB 3.32Å; K548-A551 WeakPolarHBondContact O-CB 3.29Å; K548-A551 PolarHBondContact O-N 2.9Å; K548-E552 PolarHBondContact O-N 2.65Å; K548-E552 VanDerWaalsContact O-N 3.09Å
549E58.1Low61.4Low125 Ų12588.4 Ų88.458%0.58448%0.478SS*.Hα-helixtrans-54.5-41.8179.6-69.3176.6159.100111.1D545 A551 E552 T553D545-E549 PolarHBondContact O-N 2.9Å; E549-A551 PolarHBondContact O-N 3.06Å; E549-E552 PolarHBondContact O-N 3.5Å; E549-T553 WeakPolarHBondContact O-CB 3.39Å; E549-T553 PolarHBondContact O-N 3.42Å; E549-T553 PolarHBondContact O-OG1 3.48Å
550T60Low59.3Low73 Ų7395.1 Ų95.145%0.44851%0.506SS..Hα-helixtrans-75.8-6.8178.658.90000114.1A546 K548 K554A546-T550 WeakPolarHBondContact O-CB 3.23Å; A546-T550 WeakPolarHBondContact O-CG2 3.43Å; A546-T550 PolarHBondContact O-N 3.29Å; A546-T550 VanDerWaalsContact O-N 3.08Å; A546-T550 PolarHBondContact O-OG1 3.35Å; K548-T550 PolarHBondContact O-N 3.28Å; T550-K554 PolarHBondContact O-NZ 3.13Å
551A55.1Low57Low30 Ų3096.9 Ų96.925%0.24853%0.533CS..Hα-helixtrans-84.3-57.2163.700000109.9K548 E549 T553 K554K548-A551 WeakPolarHBondContact O-CA 3.4Å; K548-A551 VanDerWaalsContact O-CB 3.32Å; K548-A551 WeakPolarHBondContact O-CB 3.29Å; K548-A551 PolarHBondContact O-N 2.9Å; E549-A551 PolarHBondContact O-N 3.06Å; A551-T553 VanDerWaalsContact C-N 3.27Å; A551-T553 PolarHBondContact O-N 3.38Å; A551-K554 WeakPolarHBondContact O-CB 3.32Å; A551-K554 PolarHBondContact O-N 3.48Å
552E49.4Very low54.8Low129 Ų129103.2 Ų103.260%0.60357%0.568SS**Hα-helixtrans-58.9-34.4-176.2-67.2172.3-178.700113.3K548 E549 K554 N556K548-E552 PolarHBondContact O-N 2.65Å; K548-E552 VanDerWaalsContact O-N 3.09Å; E549-E552 PolarHBondContact O-N 3.5Å; E552-K554 PolarHBondContact O-N 3.45Å; E552-N556 PolarHBondContact O-ND2 3.46Å
553T54.6Low52.8Low91 Ų91102.4 Ų102.456%0.55858%0.583SS**Hα-helixtrans-65.3-22.5175.3-54.20000113.2E549 A551E549-T553 WeakPolarHBondContact O-CB 3.39Å; E549-T553 PolarHBondContact O-N 3.42Å; E549-T553 PolarHBondContact O-OG1 3.48Å; A551-T553 VanDerWaalsContact C-N 3.27Å; A551-T553 PolarHBondContact O-N 3.38Å
554K51.4Low50.6Low142 Ų142103.5 Ų103.562%0.61760%0.598SS**Hα-helixtrans-84.9-33.5-176.4-69.7-169.9-178.473.70113.9T550 A551 E552T550-K554 PolarHBondContact O-NZ 3.13Å; A551-K554 WeakPolarHBondContact O-CB 3.32Å; A551-K554 PolarHBondContact O-N 3.48Å; E552-K554 PolarHBondContact O-N 3.45Å
555D48Very low48.9Very low142 Ų142107.5 Ų107.576%0.75963%0.628SS**Hα-helixtrans-80.3-21.7-178.8-60.5-36.8000111.9
556N48.6Very low47Very low129 Ų129110.8 Ų110.869%0.6965%0.651SS**SBendtrans-90.8-11.1179.7-71.7-64.6000115.1E552 C558E552-N556 PolarHBondContact O-ND2 3.46Å; N556-C558 PolarHBondContact O-N 2.59Å
557H41.2Very low45.4Very low161 Ų161113.5 Ų113.575%0.74567%0.673SS**  trans-84.150.1-173.1-149-3.2000113.6
558C36.3Very low43.9Very low120 Ų120117 Ų11781%0.81170%0.699SS**SBendtrans-126.930.4173.7-154.10000112.5N556N556-C558 PolarHBondContact O-N 2.59Å
559C39Very low42.7Very low114 Ų114118.6 Ų118.677%0.7773%0.725SS**SBendtrans-145163.3168-940000111.1
560I37Very low42Very low181 Ų181117.6 Ų117.693%0.92873%0.728SS**  trans-100.4138.7-171.3-61.9170.8000110.2
561G34.1Very low41.1Very low68 Ų68118.1 Ų118.170%0.70174%0.735SS**  trans164.8127.9165.500000113.4
562N33.6Very low40.5Very low181 Ų181117.8 Ų117.897%0.96873%0.734SS**  trans-87.2131.3176.3-65.8-32.8000110.7
563G36.8Very low40.2Very low78 Ų78115.1 Ų115.180%0.80473%0.729SS**  trans-158.8114.7172.100000111.2
564S32.1Very low39.7Very low116 Ų116120.6 Ų120.681%0.81174%0.74SS**  trans-92.9130.2176.7-1780000110.3
565T39Very low39.3Very low135 Ų135118.5 Ų118.583%0.82874%0.735SS**  trans-149.7117.4164.7-520000110.2
566T31.8Very low39.4Very low135 Ų135113.4 Ų113.483%0.82871%0.71SS**  trans-89.8119.1174.248.50000110.4
567A37.3Very low39.6Very low102 Ų102113.3 Ų113.384%0.84370%0.704SS**  trans-112.2122.317000000110
568T36.8Very low40Very low135 Ų135108.2 Ų108.283%0.82869%0.686SS**  trans-85.3143.1-174.4100000112.8T570T568-T570 PolarHBondContact O-N 2.84Å
569A37.2Very low40.7Very low103 Ų103107 Ų10785%0.85167%0.671SS**  trans-75.6117.1-177.100000112.4
570T43.7Very low41.5Very low104 Ų104104 Ų10464%0.63865%0.646SS**  trans-137.7-4.3176.5-46.80000113.4T568 S573T568-T570 PolarHBondContact O-N 2.84Å; T570-S573 PolarHBondContact O-OG 3.35Å
571S40Very low42.2Very low85 Ų85100.6 Ų100.659%0.59463%0.626SS**SBendtrans-71.8-41.2-175.5500000114.4S573 R574S571-S573 VanDerWaalsContact C-N 3.32Å; S571-S573 PolarHBondContact O-N 3.27Å; S571-R574 PolarHBondContact O-N 2.96Å; S571-R574 VanDerWaalsContact O-N 3.13Å
572G41.9Very low43.3Very low23 Ų23100.7 Ų100.724%0.23761%0.613CS.*Hα-helixtrans-61.2-32.2-17000000115.3
573S43.4Very low44.2Very low72 Ų7293.9 Ų93.950%0.50358%0.575SS.*Hα-helixtrans-79.4-15.8179.6560000114.2T570 S571 S576 K577T570-S573 PolarHBondContact O-OG 3.35Å; S571-S573 VanDerWaalsContact C-N 3.32Å; S571-S573 PolarHBondContact O-N 3.27Å; S573-S576 PolarHBondContact O-OG 3.33Å; S573-K577 WeakPolarHBondContact O-CG 3.44Å
574R43.6Very low45.1Very low207 Ų20795.6 Ų95.678%0.78156%0.558SS**Hα-helixtrans-75.8-34.5172.5-95.2-171.1171.2-153-2.3112.3S571 S578S571-R574 PolarHBondContact O-N 2.96Å; S571-R574 VanDerWaalsContact O-N 3.13Å; R574-S578 WeakPolarHBondContact O-CB 3.28Å; R574-S578 PolarHBondContact O-N 3.07Å
575L44.1Very low46.1Very low97 Ų9794.6 Ų94.651%0.50855%0.551SS.*Hα-helixtrans-74.7-36.8-175.9-70.2173.4000113.1L579L575-L579 WeakPolarHBondContact O-CB 3.3Å; L575-L579 WeakPolarHBondContact O-CG 3.39Å; L575-L579 PolarHBondContact O-N 2.99Å
576S50.9Low46Very low35 Ų3592.9 Ų92.925%0.24554%0.536CS..Hα-helixtrans-65.5-46.8174.354.10000111.5S573 L579 Q580S573-S576 PolarHBondContact O-OG 3.33Å; S576-L579 PolarHBondContact O-N 2.78Å; S576-Q580 WeakPolarHBondContact O-CB 3.35Å; S576-Q580 PolarHBondContact O-N 3.2Å; S576-Q580 VanDerWaalsContact O-N 3.1Å
577K51.1Low46.3Very low128 Ų12890.8 Ų90.856%0.55753%0.525SS*.Hα-helixtrans-58-54.1172.7-76.1-166.3174.2-161.30111.7S573 L579 Q580 E581S573-K577 WeakPolarHBondContact O-CG 3.44Å; K577-L579 VanDerWaalsContact C-N 3.3Å; K577-L579 PolarHBondContact O-N 3.46Å; K577-Q580 PolarHBondContact O-N 3.24Å; K577-E581 VanDerWaalsContact O-CB 3.27Å; K577-E581 WeakPolarHBondContact O-CB 3.43Å; K577-E581 VanDerWaalsContact O-CG 3.24Å; K577-E581 WeakPolarHBondContact O-CG 3.18Å; K577-E581 PolarHBondContact O-N 3.39Å
578S49.7Very low46.4Very low54 Ų5492.8 Ų92.838%0.37851%0.512SS..Hα-helixtrans-57.6-38.3-179.6176.30000113.1R574 T582R574-S578 WeakPolarHBondContact O-CB 3.28Å; R574-S578 PolarHBondContact O-N 3.07Å; S578-T582 WeakPolarHBondContact O-CB 3.4Å; S578-T582 PolarHBondContact O-N 3.42Å; S578-T582 PolarHBondContact O-OG1 3.47Å
579L51.5Low46.3Very low93 Ų9392.5 Ų92.549%0.48751%0.51SS..Hα-helixtrans-67.5-42.4174.5-81.5171.2000112.6L575 S576 K577 F583L575-L579 WeakPolarHBondContact O-CB 3.3Å; L575-L579 WeakPolarHBondContact O-CG 3.39Å; L575-L579 PolarHBondContact O-N 2.99Å; S576-L579 PolarHBondContact O-N 2.78Å; K577-L579 VanDerWaalsContact C-N 3.3Å; K577-L579 PolarHBondContact O-N 3.46Å; L579-F583 VanDerWaalsContact O-CB 3.32Å; L579-F583 WeakPolarHBondContact O-CB 3.4Å; L579-F583 PolarHBondContact O-N 3.48Å
580Q55.1Low46.1Very low53 Ų5396.3 Ų96.325%0.24851%0.51CS..Hα-helixtrans-68.1-50.8179.1-166.5166.3-3.200110.6S576 K577 T582 F583 Y584S576-Q580 WeakPolarHBondContact O-CB 3.35Å; S576-Q580 PolarHBondContact O-N 3.2Å; S576-Q580 VanDerWaalsContact O-N 3.1Å; K577-Q580 PolarHBondContact O-N 3.24Å; Q580-T582 PolarHBondContact O-N 3.31Å; Q580-F583 PolarHBondContact O-N 2.95Å; Q580-F583 VanDerWaalsContact O-N 3.16Å; Q580-Y584 HydrophobicContact CG-CD2 3.95Å; Q580-Y584 HydrophobicContact CG-CE2 3.75Å; Q580-Y584 WeakPolarHBondContact O-CD2 3.43Å; Q580-Y584 PolarHBondContact O-N 3.32Å
581E53.3Low45.8Very low108 Ų10896 Ų9651%0.50551%0.511SS..Hα-helixtrans-52.7-50.4172.4-69.8159-177.700110.8K577 F583 Y584 S585K577-E581 VanDerWaalsContact O-CB 3.27Å; K577-E581 WeakPolarHBondContact O-CB 3.43Å; K577-E581 VanDerWaalsContact O-CG 3.24Å; K577-E581 WeakPolarHBondContact O-CG 3.18Å; K577-E581 PolarHBondContact O-N 3.39Å; E581-F583 PolarHBondContact O-N 3.03Å; E581-Y584 PolarHBondContact O-N 3.16Å; E581-S585 WeakPolarHBondContact O-CB 3.34Å; E581-S585 PolarHBondContact O-N 3.12Å; E581-S585 PolarHBondContact O-OG 3.04Å
582T56Low45.6Very low71 Ų7196.5 Ų96.544%0.43652%0.52SS..Hα-helixtrans-63-39.6178-56.20000112.3S578 Q580 Y584 S585 L586S578-T582 WeakPolarHBondContact O-CB 3.4Å; S578-T582 PolarHBondContact O-N 3.42Å; S578-T582 PolarHBondContact O-OG1 3.47Å; Q580-T582 PolarHBondContact O-N 3.31Å; T582-Y584 VanDerWaalsContact C-N 3.31Å; T582-Y584 PolarHBondContact O-N 3.2Å; T582-S585 PolarHBondContact O-N 3.4Å; T582-L586 HydrophobicContact CG2-CD1 4.48Å; T582-L586 HydrophobicContact CG2-CG 4.38Å; T582-L586 VanDerWaalsContact O-CG 3.3Å; T582-L586 WeakPolarHBondContact O-CG 3.3Å; T582-L586 PolarHBondContact O-N 3.44Å
583F52.3Low45.1Very low38 Ų38100.7 Ų100.717%0.16755%0.553CS.*Hα-helixtrans-70.1-27.9-178.8-158.3-92.8000113L105 V106 R109 L579 Q580 E581L105-F583 HydrophobicContact CB-CD1 4Å; L105-F583 HydrophobicContact CB-CD2 4.49Å; L105-F583 HydrophobicContact CB-CE1 3.72Å; L105-F583 HydrophobicContact CB-CE2 4.24Å; L105-F583 HydrophobicContact CB-CG 4.38Å; L105-F583 HydrophobicContact CB-CZ 3.84Å; L105-F583 HydrophobicContact CD1-CD2 4.45Å; L105-F583 HydrophobicContact CD1-CG 4.38Å; L105-F583 WeakPolarHBondContact O-CE1 3.49Å; V106-F583 HydrophobicContact CG2-CZ 3.95Å; R109-F583 HydrophobicContact CB-CE1 4.16Å; R109-F583 PolarHBondContact NH1-O 3.33Å; L579-F583 VanDerWaalsContact O-CB 3.32Å; L579-F583 WeakPolarHBondContact O-CB 3.4Å; L579-F583 PolarHBondContact O-N 3.48Å; Q580-F583 PolarHBondContact O-N 2.95Å; Q580-F583 VanDerWaalsContact O-N 3.16Å; E581-F583 PolarHBondContact O-N 3.03Å
584Y57.2Low44.7Very low114 Ų114100.5 Ų100.545%0.44756%0.562SS.*Hα-helixtrans-85.8-31.6171.4-72.9-65.8000113.3Q108 Q580 E581 T582Q108-Y584 PolarHBondContact OE1-OH 3.42Å; Q580-Y584 HydrophobicContact CG-CD2 3.95Å; Q580-Y584 HydrophobicContact CG-CE2 3.75Å; Q580-Y584 WeakPolarHBondContact O-CD2 3.43Å; Q580-Y584 PolarHBondContact O-N 3.32Å; E581-Y584 PolarHBondContact O-N 3.16Å; T582-Y584 VanDerWaalsContact C-N 3.31Å; T582-Y584 PolarHBondContact O-N 3.2Å
585S51.9Low44.4Very low94 Ų9496.8 Ų96.866%0.65756%0.562SS**Hα-helixtrans-84-10.3179.1-61.60000114.8E581 T582 P587E581-S585 WeakPolarHBondContact O-CB 3.34Å; E581-S585 PolarHBondContact O-N 3.12Å; E581-S585 PolarHBondContact O-OG 3.04Å; T582-S585 PolarHBondContact O-N 3.4Å; S585-P587 VanDerWaalsContact O-CD 3.26Å; S585-P587 WeakPolarHBondContact O-CD 3.28Å
586L37.2Very low44.1Very low99 Ų9997.5 Ų97.552%0.51857%0.57SS.*SBendtrans-63.4113.6172.8-88.4166.8000110.1T582T582-L586 HydrophobicContact CG2-CD1 4.48Å; T582-L586 HydrophobicContact CG2-CG 4.38Å; T582-L586 VanDerWaalsContact O-CG 3.3Å; T582-L586 WeakPolarHBondContact O-CG 3.3Å; T582-L586 PolarHBondContact O-N 3.44Å
587P39.1Very low43.3Very low91 Ų91104.3 Ų104.359%0.59160%0.599SS**  trans-67.9145.9-178.629.9-35.2000110.1S585 T589S585-P587 VanDerWaalsContact O-CD 3.26Å; S585-P587 WeakPolarHBondContact O-CD 3.28Å; P587-T589 HydrophobicContact CB-CG2 4.04Å; P587-T589 HydrophobicContact CG-CG2 3.94Å; P587-T589 PolarHBondContact O-N 3.11Å
588Y38.9Very low42.4Very low145 Ų145102.7 Ų102.757%0.56960%0.596SS**  trans-81.361.7-177.4-161.4-107.9000111.1E590 C591Y588-E590 PolarHBondContact O-N 3.45Å; Y588-C591 HydrophobicContact CD1-CB 4.34Å; Y588-C591 PolarHBondContact O-N 3.01Å
589T34.7Very low41.8Very low128 Ų128105.5 Ų105.579%0.78561%0.612SS**THydrogen-bonded Turntrans-77.443.4-176.957.40000113.1P587P587-T589 HydrophobicContact CB-CG2 4.04Å; P587-T589 HydrophobicContact CG-CG2 3.94Å; P587-T589 PolarHBondContact O-N 3.11Å
590E33.7Very low40.9Very low183 Ų183110 Ų11086%0.85563%0.631SS**THydrogen-bonded Turntrans-14224.2167.5-141.2165-147.400111.4Y588Y588-E590 PolarHBondContact O-N 3.45Å
591C36Very low39.8Very low99 Ų99117.3 Ų117.367%0.66966%0.662SS**PPolyproline II helixtrans-71128.1164.4-109.10000110.3Y588Y588-C591 HydrophobicContact CD1-CB 4.34Å; Y588-C591 PolarHBondContact O-N 3.01Å
592A35.7Very low38.8Very low95 Ų95121.6 Ų121.679%0.78568%0.679SS**PPolyproline II helixtrans-61.2150179.100000112.8G594A592-G594 PolarHBondContact O-N 3.28Å
593A32.6Very low37.8Very low111 Ų111120.9 Ų120.992%0.91769%0.686SS**SBendtrans-62.4131.6-17900000112
594G34.9Very low36.9Very low68 Ų68127.2 Ų127.270%0.70172%0.722SS**  trans168.1-20.3177.900000116A592 T596A592-G594 PolarHBondContact O-N 3.28Å; G594-T596 PolarHBondContact O-N 3.03Å; G594-T596 VanDerWaalsContact O-N 3.09Å
595V37.4Very low36Very low129 Ų129130 Ų13078%0.78274%0.743SS**  trans-8094.9-177.8-173.60000111.3
596T36.1Very low35.3Very low111 Ų111131.8 Ų131.868%0.68175%0.746SS**PPolyproline II helixtrans-75131.4163.1-55.70000108.8G594 L598G594-T596 PolarHBondContact O-N 3.03Å; G594-T596 VanDerWaalsContact O-N 3.09Å; T596-L598 PolarHBondContact O-N 2.92Å
597Q34.4Very low35.4Very low179 Ų179133.9 Ų133.984%0.83676%0.757SS**PPolyproline II helixtrans-66.8132.3-178.7-64.5-1803.600111.4
598L33.5Very low35.4Very low94 Ų94132.4 Ų132.449%0.49274%0.744SS.*PPolyproline II helixtrans-90.3155157.2-116.775.6000109.8V314 V315 T596V314-L598 HydrophobicContact CG1-CD1 4.47Å; V315-L598 HydrophobicContact CB-CD1 3.8Å; V315-L598 HydrophobicContact CB-CD2 4.46Å; V315-L598 HydrophobicContact CG1-CD1 3.6Å; V315-L598 HydrophobicContact CG2-CD1 3.7Å; V315-L598 HydrophobicContact CG2-CD2 3.6Å; V315-L598 HydrophobicContact CG2-CG 4.29Å; T596-L598 PolarHBondContact O-N 2.92Å
599P36.2Very low35.5Very low113 Ų113133.1 Ų133.173%0.73475%0.752SS**PPolyproline II helixtrans-71149.8-174.330.1-32.7000111.8F601P599-F601 PolarHBondContact O-N 3.08Å
600Q32.5Very low35.5Very low186 Ų186133.2 Ų133.287%0.86975%0.753SS**  trans-50.8100.8-176-173.7176.832.600113.4K602Q600-K602 PolarHBondContact O-N 3.02Å
601F32Very low35.6Very low208 Ų208130.8 Ų130.891%0.91275%0.748SS**  trans-74.3124.8167.1-127.8-92000109.2P599P599-F601 PolarHBondContact O-N 3.08Å
602K31.7Very low35.6Very low197 Ų197132.4 Ų132.486%0.85775%0.752SS**  trans-111.490.4-173.7-172.6178-178.4179.40109.5Q600Q600-K602 PolarHBondContact O-N 3.02Å
603G36.9Very low35.5Very low57 Ų57134.5 Ų134.559%0.58875%0.75SS**  trans-156.6123.7177.500000110.9L605G603-L605 PolarHBondContact O-N 3.12Å; G603-L605 VanDerWaalsContact O-N 3.13Å
604D32.5Very low35.7Very low171 Ų171135.9 Ų135.991%0.91474%0.74SS**  trans-77.993.9-178.1-56.8-72.9000110.5
605L38.5Very low35.8Very low171 Ų171140.1 Ų140.190%0.89574%0.742SS**  trans-94.2113.2165.1-80.8167.5000108.8G603G603-L605 PolarHBondContact O-N 3.12Å; G603-L605 VanDerWaalsContact O-N 3.13Å
606N36.5Very low35.7Very low132 Ų132140.9 Ų140.971%0.70674%0.74SS**  trans-66.3137.3-175.7-161.7-5.8000110.1N608N606-N608 PolarHBondContact O-N 3.44Å
607L39.5Very low35.6Very low143 Ų143143 Ų14375%0.74974%0.744SS**THydrogen-bonded Turntrans-78.328.8-165.6-15598.4000113.5L300L300-L607 WeakPolarHBondContact CD2-O 3.49Å; L300-L607 WeakPolarHBondContact CG-O 3.5Å
608N39.8Very low35.7Very low61 Ų61140.2 Ų140.233%0.32674%0.737SS.*THydrogen-bonded Turntrans-131.28.8-157.4-83.722.5000115.5L299 N606L299-N608 VanDerWaalsContact O-CB 3.27Å; L299-N608 WeakPolarHBondContact O-CB 3.15Å; L299-N608 PolarHBondContact O-ND2 3.43Å; L299-N608 VanDerWaalsContact O-ND2 3.17Å; N606-N608 PolarHBondContact O-N 3.44Å
609E40.1Very low35.9Very low159 Ų159144.1 Ų144.174%0.74376%0.757SS**  trans-126.927.2-172.1-147.3170.2-162.200115.6
610V34.7Very low35.9Very low131 Ų131146.9 Ų146.979%0.79476%0.759SS**  trans-114.60177-174.80000111.7L300L300-V610 HydrophobicContact CD2-CB 3.97Å; L300-V610 VanDerWaalsContact CD2-N 3.25Å; L300-V610 VanDerWaalsContact CD2-OXT 3.32Å; L300-V610 WeakPolarHBondContact CD2-OXT 3.4Å

Retrieved 610 of 610 residues in 161.1 ms (Link to these results)

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