A0A3Q0KDF8_SCHMA Loading...

Tetraspanin AlphaSync

AlphaFold DB , UniProt , Accession A0A3Q0KDF8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 227 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M53.5Low68Low207 Ų207111.8 Ų111.8100%1.0259%0.588SS**  0-39.70-101.9169.6-171.200113.4K3 I4 T5M1-K3 PolarHBondContact O-N 3.43Å; M1-I4 PolarHBondContact O-N 3.29Å; M1-T5 PolarHBondContact O-OG1 3.44Å
2T57.9Low69.5Low128 Ų128109.7 Ų109.779%0.78559%0.587SS**Hα-helixtrans-58.8-36.8-173.5-7.50000115.2F6T2-F6 PolarHBondContact O-N 3.28Å
3K56.2Low70.7Confident181 Ų181104.6 Ų104.679%0.78756%0.56SS**Hα-helixtrans-67-37.7179.5-69.8-170.7176.2-175.40113.7M1 F6 T7M1-K3 PolarHBondContact O-N 3.43Å; K3-F6 PolarHBondContact O-N 3.07Å; K3-T7 PolarHBondContact O-N 3.23Å; K3-T7 VanDerWaalsContact O-N 3.16Å; K3-T7 PolarHBondContact O-OG1 3.37Å; K3-T7 VanDerWaalsContact O-OG1 3.1Å
4I59.5Low72Confident128 Ų128100.4 Ų100.466%0.65653%0.534SS*.Hα-helixtrans-71.3-40.4-176.7-60.7175.1000111M1 F6 S8M1-I4 PolarHBondContact O-N 3.29Å; I4-F6 VanDerWaalsContact C-N 3.33Å; I4-F6 PolarHBondContact O-N 3.26Å; I4-S8 PolarHBondContact O-N 3.39Å; I4-S8 PolarHBondContact O-OG 3.16Å
5T63.6Low73.1Confident99 Ų99104 Ų10461%0.60754%0.539SS*.Hα-helixtrans-63.1-40.9175.2-45.10000111.3M1 S8 C9M1-T5 PolarHBondContact O-OG1 3.44Å; T5-S8 PolarHBondContact O-N 3.5Å; T5-C9 WeakPolarHBondContact O-CB 3.32Å; T5-C9 PolarHBondContact O-N 2.96Å; T5-C9 VanDerWaalsContact O-N 3.07Å
6F69.4Low74.1Confident127 Ų127101.4 Ų101.456%0.55753%0.532SS*.Hα-helixtrans-63.6-46.4179.5-170.5-100.6000112.2T2 K3 I4 S8 C9 F10 A222T2-F6 PolarHBondContact O-N 3.28Å; K3-F6 PolarHBondContact O-N 3.07Å; I4-F6 VanDerWaalsContact C-N 3.33Å; I4-F6 PolarHBondContact O-N 3.26Å; F6-S8 VanDerWaalsContact C-N 3.32Å; F6-S8 PolarHBondContact O-N 3.1Å; F6-C9 PolarHBondContact O-N 3.42Å; F6-F10 WeakPolarHBondContact O-CB 3.49Å; F6-F10 PolarHBondContact O-N 3.03Å; F6-A222 HydrophobicContact CZ-CB 4.37Å
7T71.4Confident75Confident69 Ų6995.9 Ų95.942%0.42350%0.503SS..Hα-helixtrans-62.8-37.4178.2-51.70000112.6K3 K11K3-T7 PolarHBondContact O-N 3.23Å; K3-T7 VanDerWaalsContact O-N 3.16Å; K3-T7 PolarHBondContact O-OG1 3.37Å; K3-T7 VanDerWaalsContact O-OG1 3.1Å; T7-K11 HydrophobicContact CG2-CD 4.48Å; T7-K11 WeakPolarHBondContact O-CG 3.39Å; T7-K11 PolarHBondContact O-N 3.45Å; T7-K11 VanDerWaalsContact O-N 3.09Å
8S75.2Confident76Confident74 Ų7493.6 Ų93.652%0.51749%0.488SS..Hα-helixtrans-70.7-44-179.6-55.90000112I4 T5 F6 K11 C12I4-S8 PolarHBondContact O-N 3.39Å; I4-S8 PolarHBondContact O-OG 3.16Å; T5-S8 PolarHBondContact O-N 3.5Å; F6-S8 VanDerWaalsContact C-N 3.32Å; F6-S8 PolarHBondContact O-N 3.1Å; S8-K11 PolarHBondContact O-N 3.32Å; S8-C12 PolarHBondContact O-N 3.09Å
9C78.4Confident76.9Confident70 Ų7092.8 Ų92.847%0.47349%0.488SS..Hα-helixtrans-61.8-45174.9-176.20000111.4T5 F6 K11 C12 L13T5-C9 WeakPolarHBondContact O-CB 3.32Å; T5-C9 PolarHBondContact O-N 2.96Å; T5-C9 VanDerWaalsContact O-N 3.07Å; F6-C9 PolarHBondContact O-N 3.42Å; C9-K11 PolarHBondContact O-N 3.16Å; C9-C12 WeakPolarHBondContact O-CB 3.41Å; C9-C12 PolarHBondContact O-N 2.92Å; C9-C12 VanDerWaalsContact O-N 3.16Å; C9-L13 WeakPolarHBondContact O-CG 3.34Å; C9-L13 PolarHBondContact O-N 3.47Å
10F80.4Confident77.6Confident27 Ų2793.5 Ų93.512%0.11849%0.487CS..Hα-helixtrans-60.6-44.8178.5-179.7-101.1000112.6F6 C12 L13 K14 L219 A222 I223 L226F6-F10 WeakPolarHBondContact O-CB 3.49Å; F6-F10 PolarHBondContact O-N 3.03Å; F10-C12 VanDerWaalsContact C-N 3.34Å; F10-C12 PolarHBondContact O-N 3.34Å; F10-L13 PolarHBondContact O-N 3.07Å; F10-K14 WeakPolarHBondContact O-CB 3.41Å; F10-K14 PolarHBondContact O-N 2.89Å; F10-L219 HydrophobicContact CD2-CD1 4.23Å; F10-L219 HydrophobicContact CE2-CD1 3.4Å; F10-L219 HydrophobicContact CE2-CG 4.36Å; F10-L219 HydrophobicContact CZ-CD1 3.61Å; F10-A222 HydrophobicContact CD2-CB 3.52Å; F10-A222 HydrophobicContact CE2-CB 3.29Å; F10-A222 HydrophobicContact CZ-CB 4.3Å; F10-I223 HydrophobicContact CZ-CG1 4.41Å; F10-L226 HydrophobicContact CE1-CD1 4.45Å; F10-L226 HydrophobicContact CZ-CD1 4.42Å
11K82.9Confident78.4Confident120 Ų12089.2 Ų89.252%0.52247%0.465SS..Hα-helixtrans-58.9-46.6173.7-74.3176-179179.70111.1T7 S8 C9 L13 K14 Y15T7-K11 HydrophobicContact CG2-CD 4.48Å; T7-K11 WeakPolarHBondContact O-CG 3.39Å; T7-K11 PolarHBondContact O-N 3.45Å; T7-K11 VanDerWaalsContact O-N 3.09Å; S8-K11 PolarHBondContact O-N 3.32Å; C9-K11 PolarHBondContact O-N 3.16Å; K11-L13 PolarHBondContact O-N 2.96Å; K11-K14 PolarHBondContact O-N 3.46Å; K11-Y15 HydrophobicContact CB-CD2 4.42Å; K11-Y15 HydrophobicContact CB-CE2 4.39Å; K11-Y15 WeakPolarHBondContact O-CD2 3.29Å; K11-Y15 PolarHBondContact O-N 3.45Å
12C85.8Confident80.4Confident86 Ų8682.8 Ų82.858%0.58143%0.434SS*.Hα-helixtrans-58.2-47.5177.8-171.80000111.9S8 C9 F10 Y15 S16S8-C12 PolarHBondContact O-N 3.09Å; C9-C12 WeakPolarHBondContact O-CB 3.41Å; C9-C12 PolarHBondContact O-N 2.92Å; C9-C12 VanDerWaalsContact O-N 3.16Å; F10-C12 VanDerWaalsContact C-N 3.34Å; F10-C12 PolarHBondContact O-N 3.34Å; C12-Y15 PolarHBondContact O-N 3.36Å; C12-S16 WeakPolarHBondContact O-CB 3.07Å; C12-S16 PolarHBondContact O-N 2.84Å
13L85.4Confident82.2Confident44 Ų4480.9 Ų80.923%0.2342%0.418CS..Hα-helixtrans-61-45.9177.3-71.2171.9000112.1C9 F10 K11 S16 M17 F215 M218C9-L13 WeakPolarHBondContact O-CG 3.34Å; C9-L13 PolarHBondContact O-N 3.47Å; F10-L13 PolarHBondContact O-N 3.07Å; K11-L13 PolarHBondContact O-N 2.96Å; L13-S16 PolarHBondContact O-N 3.43Å; L13-M17 VanDerWaalsContact O-CB 3.32Å; L13-M17 WeakPolarHBondContact O-CB 3.35Å; L13-M17 PolarHBondContact O-N 3.14Å; L13-F215 HydrophobicContact CD2-CD1 3.72Å; L13-F215 HydrophobicContact CD2-CE1 3.64Å; L13-M218 HydrophobicContact CD1-CE 4.04Å; L13-M218 HydrophobicContact CD2-CE 4.09Å
14K88.4Confident84Confident45 Ų4573.4 Ų73.420%0.19639%0.391CS..Hα-helixtrans-59.1-50177.5-179.8-179.7176.2168.90111.6F10 K11 F18 A79 E82 L219F10-K14 WeakPolarHBondContact O-CB 3.41Å; F10-K14 PolarHBondContact O-N 2.89Å; K11-K14 PolarHBondContact O-N 3.46Å; K14-F18 WeakPolarHBondContact O-CB 3.21Å; K14-F18 PolarHBondContact O-N 3.24Å; K14-A79 WeakPolarHBondContact CE-O 3.36Å; K14-E82 IonicContact NZ-OE1 2.66Å; K14-E82 PolarHBondContact NZ-OE1 2.93Å; K14-L219 HydrophobicContact CB-CD1 4.06Å; K14-L219 HydrophobicContact CG-CD1 4.46Å
15Y89.3Confident85.8Confident155 Ų15571.6 Ų71.661%0.60838%0.376SS*.Hα-helixtrans-67.6-39.8179.5-74.6-66.3000112.1K11 C12 F18 V19K11-Y15 HydrophobicContact CB-CD2 4.42Å; K11-Y15 HydrophobicContact CB-CE2 4.39Å; K11-Y15 WeakPolarHBondContact O-CD2 3.29Å; K11-Y15 PolarHBondContact O-N 3.45Å; C12-Y15 PolarHBondContact O-N 3.36Å; Y15-F18 PolarHBondContact O-N 2.66Å; Y15-V19 VanDerWaalsContact O-CG2 3.29Å; Y15-V19 WeakPolarHBondContact O-CG2 3.43Å; Y15-V19 PolarHBondContact O-N 3.41Å
16S88.2Confident87.4Confident62 Ų6269.6 Ų69.643%0.43436%0.363SS..Hα-helixtrans-62.1-46.7176.3-175.10000111.7C12 L13 V19 F20C12-S16 WeakPolarHBondContact O-CB 3.07Å; C12-S16 PolarHBondContact O-N 2.84Å; L13-S16 PolarHBondContact O-N 3.43Å; S16-V19 PolarHBondContact O-N 3.38Å; S16-F20 WeakPolarHBondContact O-CB 3.37Å; S16-F20 PolarHBondContact O-N 3.18Å
17M90Very high88.6Confident8 Ų868.2 Ų68.24%0.03936%0.361CS..Hα-helixtrans-62.9-44176.9-178.1175.517400110.9L13 V19 F20 C21 L87 F90 F215 L219L13-M17 VanDerWaalsContact O-CB 3.32Å; L13-M17 WeakPolarHBondContact O-CB 3.35Å; L13-M17 PolarHBondContact O-N 3.14Å; M17-V19 PolarHBondContact O-N 3.47Å; M17-F20 PolarHBondContact O-N 3.43Å; M17-C21 WeakPolarHBondContact O-CB 3.14Å; M17-C21 PolarHBondContact O-N 2.88Å; M17-C21 PolarHBondContact O-SG 2.95Å; M17-L87 HydrophobicContact CE-CD1 3.47Å; M17-L87 VanDerWaalsContact CE-CD1 3.47Å; M17-L87 HydrophobicContact SD-CD1 4.12Å; M17-F90 HydrophobicContact CE-CD1 3.76Å; M17-F90 HydrophobicContact CE-CE1 3.7Å; M17-F90 HydrophobicContact CE-CZ 4.49Å; M17-F215 HydrophobicContact SD-CB 4.36Å; M17-L219 HydrophobicContact SD-CD2 4.06Å
18F92.7Very high89.8Confident54 Ų5465 Ų6524%0.23734%0.341CS..Hα-helixtrans-59.4-48.7177.4177-107.2000112.2K14 Y15 F20 C21 L22 C76 A79 I80K14-F18 WeakPolarHBondContact O-CB 3.21Å; K14-F18 PolarHBondContact O-N 3.24Å; Y15-F18 PolarHBondContact O-N 2.66Å; F18-F20 PolarHBondContact O-N 2.94Å; F18-C21 PolarHBondContact O-N 3.45Å; F18-L22 HydrophobicContact CE1-CD1 3.89Å; F18-L22 HydrophobicContact CE2-CD1 4.28Å; F18-L22 HydrophobicContact CZ-CD1 3.56Å; F18-L22 VanDerWaalsContact O-CB 3.23Å; F18-L22 WeakPolarHBondContact O-CB 3.32Å; F18-L22 PolarHBondContact O-N 2.97Å; F18-C76 HydrophobicContact CD2-CB 4.18Å; F18-C76 HydrophobicContact CE2-CB 4.02Å; F18-A79 HydrophobicContact CB-CB 4.41Å; F18-I80 HydrophobicContact CD2-CD1 3.83Å; F18-I80 HydrophobicContact CD2-CG1 3.73Å; F18-I80 HydrophobicContact CE2-CD1 3.19Å; F18-I80 HydrophobicContact CE2-CG1 3.65Å; F18-I80 HydrophobicContact CZ-CD1 3.74Å; F18-I80 HydrophobicContact CZ-CG1 4.39Å
19V93.1Very high90.9Very high80 Ų8064 Ų6449%0.48533%0.33SS..Hα-helixtrans-61.6-45.7178.9171.20000111Y15 S16 M17 L22 I23Y15-V19 VanDerWaalsContact O-CG2 3.29Å; Y15-V19 WeakPolarHBondContact O-CG2 3.43Å; Y15-V19 PolarHBondContact O-N 3.41Å; S16-V19 PolarHBondContact O-N 3.38Å; M17-V19 PolarHBondContact O-N 3.47Å; V19-L22 PolarHBondContact O-N 3.43Å; V19-I23 HydrophobicContact CG1-CD1 3.9Å; V19-I23 VanDerWaalsContact O-CG1 3.31Å; V19-I23 WeakPolarHBondContact O-CG1 3.19Å; V19-I23 PolarHBondContact O-N 3.02Å
20F91.7Very high91.7Very high105 Ų10565 Ų6546%0.46133%0.33SS..Hα-helixtrans-63-46.6179.1-177.5-96.7000112.2S16 M17 F18 L22 I23 A24 I208S16-F20 WeakPolarHBondContact O-CB 3.37Å; S16-F20 PolarHBondContact O-N 3.18Å; M17-F20 PolarHBondContact O-N 3.43Å; F18-F20 PolarHBondContact O-N 2.94Å; F20-L22 VanDerWaalsContact C-N 3.29Å; F20-L22 PolarHBondContact O-N 3.08Å; F20-I23 PolarHBondContact O-N 2.92Å; F20-A24 WeakPolarHBondContact O-CB 3.37Å; F20-A24 PolarHBondContact O-N 2.99Å; F20-I208 HydrophobicContact CE1-CG2 4.27Å; F20-I208 HydrophobicContact CZ-CG2 3.65Å
21C93.7Very high92.3Very high4 Ų465.8 Ų65.83%0.02734%0.337CS..Hα-helixtrans-64.9-33.2177.1-69.80000112.2M17 F18 A24 W25 C76M17-C21 WeakPolarHBondContact O-CB 3.14Å; M17-C21 PolarHBondContact O-N 2.88Å; M17-C21 PolarHBondContact O-SG 2.95Å; F18-C21 PolarHBondContact O-N 3.45Å; C21-A24 PolarHBondContact O-N 3.32Å; C21-W25 VanDerWaalsContact O-CB 3.32Å; C21-W25 WeakPolarHBondContact O-CB 3.33Å; C21-W25 PolarHBondContact O-N 3.43Å; C21-C76 WeakPolarHBondContact CB-SG 3.26Å
22L95.1Very high92.9Very high72 Ų7262.1 Ų62.138%0.37732%0.321SS..Hα-helixtrans-69.7-42.8177.4-174.7145.8000111F18 V19 F20 A24 W25 V26 C76F18-L22 HydrophobicContact CE1-CD1 3.89Å; F18-L22 HydrophobicContact CE2-CD1 4.28Å; F18-L22 HydrophobicContact CZ-CD1 3.56Å; F18-L22 VanDerWaalsContact O-CB 3.23Å; F18-L22 WeakPolarHBondContact O-CB 3.32Å; F18-L22 PolarHBondContact O-N 2.97Å; V19-L22 PolarHBondContact O-N 3.43Å; F20-L22 VanDerWaalsContact C-N 3.29Å; F20-L22 PolarHBondContact O-N 3.08Å; L22-A24 VanDerWaalsContact C-N 3.35Å; L22-W25 PolarHBondContact O-N 3.38Å; L22-V26 HydrophobicContact CD2-CG2 4.34Å; L22-V26 WeakPolarHBondContact O-CG2 3.43Å; L22-V26 PolarHBondContact O-N 3.05Å; L22-C76 VanDerWaalsContact CA-SG 3.55Å; L22-C76 PolarHBondContact N-SG 2.93Å
23I95.4Very high93.3Very high88 Ų8862.3 Ų62.345%0.45132%0.315SS..Hα-helixtrans-60.2-47.7173-67.1165.1000109.9V19 F20 W25 V26 L27V19-I23 HydrophobicContact CG1-CD1 3.9Å; V19-I23 VanDerWaalsContact O-CG1 3.31Å; V19-I23 WeakPolarHBondContact O-CG1 3.19Å; V19-I23 PolarHBondContact O-N 3.02Å; F20-I23 PolarHBondContact O-N 2.92Å; I23-W25 VanDerWaalsContact C-N 3.31Å; I23-W25 PolarHBondContact O-N 3.1Å; I23-V26 PolarHBondContact O-N 3.29Å; I23-L27 HydrophobicContact CG2-CD1 3.88Å; I23-L27 HydrophobicContact CG2-CG 4.31Å; I23-L27 WeakPolarHBondContact O-CB 3.44Å; I23-L27 WeakPolarHBondContact O-CG 3.31Å; I23-L27 PolarHBondContact O-N 3.43Å
24A94.5Very high93.5Very high25 Ų2562.8 Ų62.821%0.20732%0.32CS..Hα-helixtrans-59.9-40.7177.300000112.1F20 C21 L22 L27 G28 I68F20-A24 WeakPolarHBondContact O-CB 3.37Å; F20-A24 PolarHBondContact O-N 2.99Å; C21-A24 PolarHBondContact O-N 3.32Å; L22-A24 VanDerWaalsContact C-N 3.35Å; A24-L27 PolarHBondContact O-N 3.48Å; A24-G28 PolarHBondContact O-N 3.35Å; A24-I68 WeakPolarHBondContact O-CG2 3.43Å
25W96.6Very high93.7Very high89 Ų8960.7 Ų60.734%0.33731%0.311SS..Hα-helixtrans-61.8-47.2176-179.980.9000112.1C21 L22 I23 G28 L29 M69C21-W25 VanDerWaalsContact O-CB 3.32Å; C21-W25 WeakPolarHBondContact O-CB 3.33Å; C21-W25 PolarHBondContact O-N 3.43Å; L22-W25 PolarHBondContact O-N 3.38Å; I23-W25 VanDerWaalsContact C-N 3.31Å; I23-W25 PolarHBondContact O-N 3.1Å; W25-G28 PolarHBondContact O-N 2.88Å; W25-L29 HydrophobicContact CH2-CD2 4.08Å; W25-L29 HydrophobicContact CZ2-CD2 4.4Å; W25-L29 HydrophobicContact CZ3-CD2 4.42Å; W25-L29 WeakPolarHBondContact O-CB 3.49Å; W25-L29 PolarHBondContact O-N 2.97Å; W25-M69 VanDerWaalsContact CD1-O 3.26Å
26V97.1Very high93.8Very high57 Ų5756.5 Ų56.535%0.34530%0.298SS..Hα-helixtrans-62.1-46177172.80000111L22 I23 G28 L29 I30L22-V26 HydrophobicContact CD2-CG2 4.34Å; L22-V26 WeakPolarHBondContact O-CG2 3.43Å; L22-V26 PolarHBondContact O-N 3.05Å; I23-V26 PolarHBondContact O-N 3.29Å; V26-G28 VanDerWaalsContact C-N 3.34Å; V26-G28 PolarHBondContact O-N 3.5Å; V26-L29 PolarHBondContact O-N 3.45Å; V26-I30 HydrophobicContact CG1-CD1 3.86Å; V26-I30 HydrophobicContact CG1-CG1 4.48Å; V26-I30 VanDerWaalsContact O-CG1 3.31Å; V26-I30 WeakPolarHBondContact O-CG1 3.33Å; V26-I30 PolarHBondContact O-N 2.88Å
27L96.3Very high93.9Very high99 Ų9956.8 Ų56.852%0.51830%0.297SS..Hα-helixtrans-63.4-40.1177.5-69.5176.1000112I23 A24 I30 T31I23-L27 HydrophobicContact CG2-CD1 3.88Å; I23-L27 HydrophobicContact CG2-CG 4.31Å; I23-L27 WeakPolarHBondContact O-CB 3.44Å; I23-L27 WeakPolarHBondContact O-CG 3.31Å; I23-L27 PolarHBondContact O-N 3.43Å; A24-L27 PolarHBondContact O-N 3.48Å; L27-I30 PolarHBondContact O-N 2.92Å; L27-T31 VanDerWaalsContact O-CB 3.31Å; L27-T31 WeakPolarHBondContact O-CB 3.43Å; L27-T31 PolarHBondContact O-N 2.98Å; L27-T31 PolarHBondContact O-OG1 3.17Å
28G96.7Very high93.7Very high0 Ų056.4 Ų56.40%030%0.295CS..Hα-helixtrans-61.6-44.8174.100000112.1A24 W25 V26 T31 F32A24-G28 PolarHBondContact O-N 3.35Å; W25-G28 PolarHBondContact O-N 2.88Å; V26-G28 VanDerWaalsContact C-N 3.34Å; V26-G28 PolarHBondContact O-N 3.5Å; G28-T31 PolarHBondContact O-N 3.34Å; G28-F32 VanDerWaalsContact O-CB 3.25Å; G28-F32 WeakPolarHBondContact O-CB 3.23Å; G28-F32 PolarHBondContact O-N 2.92Å
29L97.1Very high93.4Very high55 Ų5559.1 Ų59.129%0.28830%0.304SS..Hα-helixtrans-62.6-46.2176.8-176.567.4000111.9W25 V26 T31 F32 I33 M69W25-L29 HydrophobicContact CH2-CD2 4.08Å; W25-L29 HydrophobicContact CZ2-CD2 4.4Å; W25-L29 HydrophobicContact CZ3-CD2 4.42Å; W25-L29 WeakPolarHBondContact O-CB 3.49Å; W25-L29 PolarHBondContact O-N 2.97Å; V26-L29 PolarHBondContact O-N 3.45Å; L29-T31 VanDerWaalsContact C-N 3.35Å; L29-T31 PolarHBondContact O-N 3.1Å; L29-F32 PolarHBondContact O-N 3.39Å; L29-I33 HydrophobicContact CD1-CD1 4.22Å; L29-I33 HydrophobicContact CG-CD1 3.97Å; L29-I33 VanDerWaalsContact O-CG1 3.27Å; L29-I33 WeakPolarHBondContact O-CG1 3.45Å; L29-I33 PolarHBondContact O-N 3.01Å; L29-M69 HydrophobicContact CD1-SD 3.77Å
30I95.5Very high93.1Very high90 Ų9060.7 Ų60.746%0.46231%0.313SS..Hα-helixtrans-59.3-48.5175.9-67.9166.3000110V26 L27 F32 I33 V34V26-I30 HydrophobicContact CG1-CD1 3.86Å; V26-I30 HydrophobicContact CG1-CG1 4.48Å; V26-I30 VanDerWaalsContact O-CG1 3.31Å; V26-I30 WeakPolarHBondContact O-CG1 3.33Å; V26-I30 PolarHBondContact O-N 2.88Å; L27-I30 PolarHBondContact O-N 2.92Å; I30-F32 VanDerWaalsContact C-N 3.32Å; I30-F32 PolarHBondContact O-N 3.3Å; I30-I33 PolarHBondContact O-N 2.9Å; I30-V34 HydrophobicContact CG2-CG2 4.35Å; I30-V34 WeakPolarHBondContact O-CB 3.48Å; I30-V34 VanDerWaalsContact O-CG2 3.27Å; I30-V34 WeakPolarHBondContact O-CG2 3.12Å; I30-V34 PolarHBondContact O-N 2.93Å
31T93.4Very high92.7Very high43 Ų4361.1 Ų61.126%0.26432%0.32SS..Hα-helixtrans-61.8-40.9-179.5-56.50000111.6L27 G28 L29 V34 G35 L61L27-T31 VanDerWaalsContact O-CB 3.31Å; L27-T31 WeakPolarHBondContact O-CB 3.43Å; L27-T31 PolarHBondContact O-N 2.98Å; L27-T31 PolarHBondContact O-OG1 3.17Å; G28-T31 PolarHBondContact O-N 3.34Å; L29-T31 VanDerWaalsContact C-N 3.35Å; L29-T31 PolarHBondContact O-N 3.1Å; T31-V34 PolarHBondContact O-N 3.48Å; T31-G35 PolarHBondContact O-N 2.69Å; T31-L61 HydrophobicContact CG2-CD1 4.16Å; T31-L61 HydrophobicContact CG2-CD2 4.36Å; T31-L61 HydrophobicContact CG2-CG 3.72Å
32F95.1Very high91.7Very high44 Ų4462.3 Ų62.319%0.19333%0.334CS..Hα-helixtrans-63.7-47176179.9-112.2000112G28 L29 I30 G35 I36 I62 F66G28-F32 VanDerWaalsContact O-CB 3.25Å; G28-F32 WeakPolarHBondContact O-CB 3.23Å; G28-F32 PolarHBondContact O-N 2.92Å; L29-F32 PolarHBondContact O-N 3.39Å; I30-F32 VanDerWaalsContact C-N 3.32Å; I30-F32 PolarHBondContact O-N 3.3Å; F32-G35 PolarHBondContact O-N 2.88Å; F32-I36 HydrophobicContact CD1-CD1 3.86Å; F32-I36 HydrophobicContact CE1-CD1 3.42Å; F32-I36 VanDerWaalsContact CE1-CD1 3.42Å; F32-I36 HydrophobicContact CE2-CD1 4.17Å; F32-I36 HydrophobicContact CG-CD1 4.4Å; F32-I36 HydrophobicContact CZ-CD1 3.6Å; F32-I36 HydrophobicContact CZ-CG1 4.45Å; F32-I36 WeakPolarHBondContact O-CG1 3.33Å; F32-I36 PolarHBondContact O-N 3.49Å; F32-I62 HydrophobicContact CD2-CG2 4.1Å; F32-I62 HydrophobicContact CE2-CG2 3.76Å; F32-F66 HydrophobicContact CD2-CB 3.75Å; F32-F66 HydrophobicContact CD2-CD2 4.46Å; F32-F66 HydrophobicContact CE2-CB 3.81Å; F32-F66 AromaticContact CE2-CD2 3.96Å; F32-F66 HydrophobicContact CE2-CD2 3.96Å; F32-F66 HydrophobicContact CE2-CG 4.27Å; F32-F66 HydrophobicContact CZ-CD2 4.19Å
33I93.5Very high90.6Very high89 Ų8960.6 Ų60.646%0.45633%0.328SS..Hα-helixtrans-61.8-46176.9-68.1166.7000110.6L29 I30 G35 I36 V37L29-I33 HydrophobicContact CD1-CD1 4.22Å; L29-I33 HydrophobicContact CG-CD1 3.97Å; L29-I33 VanDerWaalsContact O-CG1 3.27Å; L29-I33 WeakPolarHBondContact O-CG1 3.45Å; L29-I33 PolarHBondContact O-N 3.01Å; I30-I33 PolarHBondContact O-N 2.9Å; I33-G35 VanDerWaalsContact C-N 3.27Å; I33-G35 PolarHBondContact O-N 3.49Å; I33-I36 PolarHBondContact O-N 3.44Å; I33-I36 VanDerWaalsContact O-N 3.17Å; I33-V37 HydrophobicContact CG2-CG2 4.28Å; I33-V37 WeakPolarHBondContact O-CG2 3.34Å; I33-V37 PolarHBondContact O-N 3.23Å
34V91Very high89.4Confident55 Ų5557.3 Ų57.333%0.33331%0.31SS..Hα-helixtrans-59.2-41.4176.7171.30000110.8I30 T31 V37 A38 F44 L61I30-V34 HydrophobicContact CG2-CG2 4.35Å; I30-V34 WeakPolarHBondContact O-CB 3.48Å; I30-V34 VanDerWaalsContact O-CG2 3.27Å; I30-V34 WeakPolarHBondContact O-CG2 3.12Å; I30-V34 PolarHBondContact O-N 2.93Å; T31-V34 PolarHBondContact O-N 3.48Å; V34-V37 PolarHBondContact O-N 3.34Å; V34-A38 VanDerWaalsContact O-CB 3.26Å; V34-A38 WeakPolarHBondContact O-CB 3.27Å; V34-A38 PolarHBondContact O-N 3.25Å; V34-F44 HydrophobicContact CG1-CD1 4.42Å; V34-L61 HydrophobicContact CB-CD2 4.33Å; V34-L61 HydrophobicContact CG1-CD2 3.82Å
35G91Very high88.2Confident0 Ų058.2 Ų58.20%032%0.322CS..Hα-helixtrans-60.7-45174.700000113T31 F32 I33 A38 R39 I62T31-G35 PolarHBondContact O-N 2.69Å; F32-G35 PolarHBondContact O-N 2.88Å; I33-G35 VanDerWaalsContact C-N 3.27Å; I33-G35 PolarHBondContact O-N 3.49Å; G35-A38 PolarHBondContact O-N 3.02Å; G35-R39 WeakPolarHBondContact O-CB 3.25Å; G35-R39 PolarHBondContact O-N 3.47Å; G35-I62 VanDerWaalsContact C-CG1 3.41Å
36I91.9Very high86.8Confident68 Ų6861.7 Ų61.735%0.34935%0.345SS..Hα-helixtrans-63.5-49.2177.2-67.8168.8000110.8F32 I33 A38 R39 V40 I62F32-I36 HydrophobicContact CD1-CD1 3.86Å; F32-I36 HydrophobicContact CE1-CD1 3.42Å; F32-I36 VanDerWaalsContact CE1-CD1 3.42Å; F32-I36 HydrophobicContact CE2-CD1 4.17Å; F32-I36 HydrophobicContact CG-CD1 4.4Å; F32-I36 HydrophobicContact CZ-CD1 3.6Å; F32-I36 HydrophobicContact CZ-CG1 4.45Å; F32-I36 WeakPolarHBondContact O-CG1 3.33Å; F32-I36 PolarHBondContact O-N 3.49Å; I33-I36 PolarHBondContact O-N 3.44Å; I33-I36 VanDerWaalsContact O-N 3.17Å; I36-A38 VanDerWaalsContact C-N 3.29Å; I36-A38 PolarHBondContact O-N 3.29Å; I36-R39 WeakPolarHBondContact O-CB 3.45Å; I36-R39 PolarHBondContact O-N 3.43Å; I36-R39 VanDerWaalsContact O-N 3.12Å; I36-V40 HydrophobicContact CG2-CG2 4.3Å; I36-V40 WeakPolarHBondContact O-CG2 3.29Å; I36-V40 PolarHBondContact O-N 2.91Å; I36-I62 HydrophobicContact CG1-CD1 4.4Å; I36-I62 HydrophobicContact CG1-CG1 4.27Å
37V90.6Very high85.4Confident67 Ų6762.2 Ų62.241%0.40635%0.346SS..Hα-helixtrans-59.5-43.4179.8171.90000110.4I33 V34 R39 V40 N41I33-V37 HydrophobicContact CG2-CG2 4.28Å; I33-V37 WeakPolarHBondContact O-CG2 3.34Å; I33-V37 PolarHBondContact O-N 3.23Å; V34-V37 PolarHBondContact O-N 3.34Å; V37-R39 VanDerWaalsContact C-N 3.32Å; V37-R39 PolarHBondContact O-N 2.9Å; V37-V40 PolarHBondContact O-N 2.95Å; V37-N41 WeakPolarHBondContact CG1-ND2 3.31Å; V37-N41 WeakPolarHBondContact O-CB 3.31Å; V37-N41 PolarHBondContact O-N 3.4Å
38A86.7Confident83.9Confident1 Ų160.8 Ų60.81%0.00834%0.339CS..Hα-helixtrans-63.6-38176.800000112.8V34 G35 I36 G42 S43 F44 V54 A58V34-A38 VanDerWaalsContact O-CB 3.26Å; V34-A38 WeakPolarHBondContact O-CB 3.27Å; V34-A38 PolarHBondContact O-N 3.25Å; G35-A38 PolarHBondContact O-N 3.02Å; I36-A38 VanDerWaalsContact C-N 3.29Å; I36-A38 PolarHBondContact O-N 3.29Å; A38-G42 PolarHBondContact O-N 3.19Å; A38-G42 VanDerWaalsContact O-N 3.12Å; A38-S43 WeakPolarHBondContact CA-O 3.39Å; A38-F44 HydrophobicContact CB-CD1 3.2Å; A38-F44 HydrophobicContact CB-CD2 4.34Å; A38-F44 HydrophobicContact CB-CE1 3.21Å; A38-F44 HydrophobicContact CB-CE2 4.38Å; A38-F44 HydrophobicContact CB-CG 3.8Å; A38-F44 HydrophobicContact CB-CZ 3.85Å; A38-V54 WeakPolarHBondContact O-CG1 3.24Å; A38-A58 HydrophobicContact CB-CB 3.95Å
39R86Confident82Confident111 Ų11164.3 Ų64.342%0.41937%0.368SS..Hα-helixtrans-67-39.7176.7-176.459.4174.5155.21.6112.3G35 I36 V37 H55 A58 I62G35-R39 WeakPolarHBondContact O-CB 3.25Å; G35-R39 PolarHBondContact O-N 3.47Å; I36-R39 WeakPolarHBondContact O-CB 3.45Å; I36-R39 PolarHBondContact O-N 3.43Å; I36-R39 VanDerWaalsContact O-N 3.12Å; V37-R39 VanDerWaalsContact C-N 3.32Å; V37-R39 PolarHBondContact O-N 2.9Å; R39-H55 PolarHBondContact NH1-ND1 2.93Å; R39-A58 HydrophobicContact CB-CB 4.03Å; R39-I62 HydrophobicContact CB-CD1 3.99Å; R39-I62 HydrophobicContact CG-CD1 4.38Å
40V86.5Confident80.4Confident112 Ų11267.3 Ų67.368%0.67938%0.38SS*.Hα-helixtrans-77.7-46.7-177.71740000111.7I36 V37 G42I36-V40 HydrophobicContact CG2-CG2 4.3Å; I36-V40 WeakPolarHBondContact O-CG2 3.29Å; I36-V40 PolarHBondContact O-N 2.91Å; V37-V40 PolarHBondContact O-N 2.95Å; V40-G42 VanDerWaalsContact C-N 3.31Å; V40-G42 PolarHBondContact O-N 3.31Å
41N83.4Confident78.8Confident114 Ų11465.2 Ų65.261%0.6137%0.37SS*.Hα-helixtrans-80.2-14.1-175.8-67.2-6.6000113V37 S43V37-N41 WeakPolarHBondContact CG1-ND2 3.31Å; V37-N41 WeakPolarHBondContact O-CB 3.31Å; V37-N41 PolarHBondContact O-N 3.4Å; N41-S43 PolarHBondContact O-N 3.48Å
42G73.3Confident77.2Confident30 Ų3064 Ų6431%0.30936%0.362SS..SBendtrans67.216.2-173.700000113.6A38 V40A38-G42 PolarHBondContact O-N 3.19Å; A38-G42 VanDerWaalsContact O-N 3.12Å; V40-G42 VanDerWaalsContact C-N 3.31Å; V40-G42 PolarHBondContact O-N 3.31Å
43S70.9Confident75.8Confident36 Ų3662.6 Ų62.625%0.25236%0.359SS..SBendtrans-151.8139179.91580000109.5A38 N41 G45 D48A38-S43 WeakPolarHBondContact CA-O 3.39Å; N41-S43 PolarHBondContact O-N 3.48Å; S43-G45 PolarHBondContact O-N 3.38Å; S43-G45 WeakPolarHBondContact OG-CA 3.18Å; S43-G45 PolarHBondContact OG-N 2.95Å; S43-D48 WeakPolarHBondContact CA-OD1 3.35Å; S43-D48 WeakPolarHBondContact CB-OD2 3.48Å; S43-D48 PolarHBondContact OG-OD1 2.94Å; S43-D48 VanDerWaalsContact OG-OD1 3.12Å; S43-D48 PolarHBondContact OG-OD2 2.85Å
44F70.3Confident74.6Confident18 Ų1858.6 Ų58.68%0.07934%0.339CS..  trans-78.38.5168.7-74.1-77.1000112.9V34 A38 I46 L47 D48 I51 V54 A58 L61V34-F44 HydrophobicContact CG1-CD1 4.42Å; A38-F44 HydrophobicContact CB-CD1 3.2Å; A38-F44 HydrophobicContact CB-CD2 4.34Å; A38-F44 HydrophobicContact CB-CE1 3.21Å; A38-F44 HydrophobicContact CB-CE2 4.38Å; A38-F44 HydrophobicContact CB-CG 3.8Å; A38-F44 HydrophobicContact CB-CZ 3.85Å; F44-I46 PolarHBondContact O-N 2.96Å; F44-L47 HydrophobicContact CB-CB 3.66Å; F44-L47 HydrophobicContact CG-CB 4.5Å; F44-L47 PolarHBondContact O-N 3.46Å; F44-D48 WeakPolarHBondContact CA-OD1 3.4Å; F44-D48 PolarHBondContact N-OD1 3.41Å; F44-I51 HydrophobicContact CD1-CD1 4.47Å; F44-I51 HydrophobicContact CD2-CB 3.73Å; F44-I51 HydrophobicContact CD2-CG2 4.07Å; F44-I51 HydrophobicContact CE1-CD1 4.24Å; F44-I51 HydrophobicContact CE2-CB 3.54Å; F44-I51 HydrophobicContact CE2-CD1 4.21Å; F44-I51 HydrophobicContact CE2-CG1 4.47Å; F44-I51 HydrophobicContact CE2-CG2 3.34Å; F44-I51 HydrophobicContact CZ-CB 4.24Å; F44-I51 HydrophobicContact CZ-CD1 4.09Å; F44-I51 HydrophobicContact CZ-CG2 3.88Å; F44-V54 HydrophobicContact CD2-CB 4.45Å; F44-V54 HydrophobicContact CD2-CG1 4.02Å; F44-V54 HydrophobicContact CD2-CG2 4.28Å; F44-V54 HydrophobicContact CE2-CB 4.31Å; F44-V54 HydrophobicContact CE2-CG1 4.01Å; F44-A58 HydrophobicContact CE1-CB 4.47Å; F44-A58 HydrophobicContact CZ-CB 4.07Å; F44-L61 HydrophobicContact CE1-CD2 3.98Å
45G70.3Confident73.8Confident44 Ų4459.4 Ų59.445%0.45434%0.339SS..G310 helixtrans62.4-121.4-176.400000111.2S43 L47 D48S43-G45 PolarHBondContact O-N 3.38Å; S43-G45 WeakPolarHBondContact OG-CA 3.18Å; S43-G45 PolarHBondContact OG-N 2.95Å; G45-L47 PolarHBondContact O-N 3.45Å; G45-D48 WeakPolarHBondContact O-CB 3.31Å; G45-D48 VanDerWaalsContact O-CG 3.31Å; G45-D48 PolarHBondContact O-N 3.36Å
46I66.5Low73.1Confident162 Ų16262.4 Ų62.483%0.83136%0.364SS*.G310 helixtrans-60-18.6177.655.2159000113.8F44F44-I46 PolarHBondContact O-N 2.96Å
47L66.9Low72.6Confident69 Ų6959.9 Ų59.936%0.36135%0.354SS..G310 helixtrans-90.3-0.4178.6-95.471.6000113.7F44 G45 A49 H50 I51F44-L47 HydrophobicContact CB-CB 3.66Å; F44-L47 HydrophobicContact CG-CB 4.5Å; F44-L47 PolarHBondContact O-N 3.46Å; G45-L47 PolarHBondContact O-N 3.45Å; L47-A49 PolarHBondContact O-N 2.87Å; L47-A49 VanDerWaalsContact O-N 3.1Å; L47-H50 WeakPolarHBondContact O-CB 3.27Å; L47-H50 PolarHBondContact O-N 3.28Å; L47-I51 PolarHBondContact O-N 3.27Å
48D64.9Low72.4Confident68 Ų6856.7 Ų56.736%0.36434%0.335SS..THydrogen-bonded Turntrans-55.2-31.9178.5-81.4-17.3000112.8S43 F44 G45 H50S43-D48 WeakPolarHBondContact CA-OD1 3.35Å; S43-D48 WeakPolarHBondContact CB-OD2 3.48Å; S43-D48 PolarHBondContact OG-OD1 2.94Å; S43-D48 VanDerWaalsContact OG-OD1 3.12Å; S43-D48 PolarHBondContact OG-OD2 2.85Å; F44-D48 WeakPolarHBondContact CA-OD1 3.4Å; F44-D48 PolarHBondContact N-OD1 3.41Å; G45-D48 WeakPolarHBondContact O-CB 3.31Å; G45-D48 VanDerWaalsContact O-CG 3.31Å; G45-D48 PolarHBondContact O-N 3.36Å; D48-H50 PolarHBondContact O-N 3.14Å
49A58.5Low72.5Confident74 Ų7460.4 Ų60.461%0.61236%0.355SS*.THydrogen-bonded Turntrans-65.8-17.4176.400000113.7L47 F145L47-A49 PolarHBondContact O-N 2.87Å; L47-A49 VanDerWaalsContact O-N 3.1Å; A49-F145 WeakPolarHBondContact O-CD2 3.37Å; A49-F145 WeakPolarHBondContact O-CE2 3.49Å
50H61.5Low72.7Confident119 Ų11960.7 Ų60.755%0.55136%0.364SS*.THydrogen-bonded Turntrans-108.5-27.5-173.1-6485.7000113.7L47 D48 F145L47-H50 WeakPolarHBondContact O-CB 3.27Å; L47-H50 PolarHBondContact O-N 3.28Å; D48-H50 PolarHBondContact O-N 3.14Å; H50-F145 WeakPolarHBondContact O-CE2 3.48Å; H50-F145 WeakPolarHBondContact O-CZ 3.32Å
51I62.7Low72.9Confident46 Ų4657.4 Ų57.424%0.23634%0.342CS..  trans-132.287.7-174.2-48.4176.1000109.5F44 L47F44-I51 HydrophobicContact CD1-CD1 4.47Å; F44-I51 HydrophobicContact CD2-CB 3.73Å; F44-I51 HydrophobicContact CD2-CG2 4.07Å; F44-I51 HydrophobicContact CE1-CD1 4.24Å; F44-I51 HydrophobicContact CE2-CB 3.54Å; F44-I51 HydrophobicContact CE2-CD1 4.21Å; F44-I51 HydrophobicContact CE2-CG1 4.47Å; F44-I51 HydrophobicContact CE2-CG2 3.34Å; F44-I51 HydrophobicContact CZ-CB 4.24Å; F44-I51 HydrophobicContact CZ-CD1 4.09Å; F44-I51 HydrophobicContact CZ-CG2 3.88Å; L47-I51 PolarHBondContact O-N 3.27Å
52P59.1Low73.4Confident16 Ų1653.9 Ų53.910%0.10432%0.323CS..  trans-73.9-25.9-175.233.1-43.4000114.1V54 K141 L142 F145P52-V54 VanDerWaalsContact C-N 3.3Å; P52-V54 PolarHBondContact O-N 3.34Å; P52-V54 VanDerWaalsContact O-N 3.15Å; P52-K141 VanDerWaalsContact CB-C 3.46Å; P52-K141 HydrophobicContact CB-CB 3.95Å; P52-K141 WeakPolarHBondContact CB-O 3.42Å; P52-K141 WeakPolarHBondContact O-CB 3.5Å; P52-K141 WeakPolarHBondContact O-CD 3.42Å; P52-L142 HydrophobicContact CG-CB 4.43Å; P52-L142 HydrophobicContact CG-CD1 3.88Å; P52-F145 HydrophobicContact CB-CB 3.57Å; P52-F145 HydrophobicContact CB-CG 4.18Å; P52-F145 HydrophobicContact CG-CB 3.35Å; P52-F145 HydrophobicContact CG-CD1 3.79Å; P52-F145 HydrophobicContact CG-CD2 4.34Å; P52-F145 HydrophobicContact CG-CG 3.57Å
53A65.9Low74.4Confident15 Ų1555.3 Ų55.312%0.12433%0.332CS..  trans-88.475.6178.200000107.7H55 A56 G57 E138 L142A53-H55 VanDerWaalsContact C-N 3.28Å; A53-H55 PolarHBondContact O-N 3.28Å; A53-A56 HydrophobicContact CB-CB 4.28Å; A53-G57 WeakPolarHBondContact O-CA 3.4Å; A53-G57 PolarHBondContact O-N 3.43Å; A53-E138 VanDerWaalsContact CA-OE2 3.26Å; A53-E138 WeakPolarHBondContact CA-OE2 3.48Å; A53-L142 HydrophobicContact CB-CD1 4.43Å
54V68.7Low75.5Confident5 Ų556.7 Ų56.73%0.0334%0.339CS..Hα-helixtrans-59.4-41.9-169.9-173.30000111.2A38 F44 P52 A58 E138A38-V54 WeakPolarHBondContact O-CG1 3.24Å; F44-V54 HydrophobicContact CD2-CB 4.45Å; F44-V54 HydrophobicContact CD2-CG1 4.02Å; F44-V54 HydrophobicContact CD2-CG2 4.28Å; F44-V54 HydrophobicContact CE2-CB 4.31Å; F44-V54 HydrophobicContact CE2-CG1 4.01Å; P52-V54 VanDerWaalsContact C-N 3.3Å; P52-V54 PolarHBondContact O-N 3.34Å; P52-V54 VanDerWaalsContact O-N 3.15Å; V54-A58 WeakPolarHBondContact O-CA 3.48Å; V54-A58 WeakPolarHBondContact O-CB 3.49Å; V54-A58 PolarHBondContact O-N 2.96Å; V54-E138 PolarHBondContact N-OE2 3.31Å
55H74Confident76.7Confident72 Ų7255.8 Ų55.833%0.33334%0.335SS..Hα-helixtrans-75.8-47.7-177.4-66.1-30000112.9R39 A53 N59 E138R39-H55 PolarHBondContact NH1-ND1 2.93Å; A53-H55 VanDerWaalsContact C-N 3.28Å; A53-H55 PolarHBondContact O-N 3.28Å; H55-N59 WeakPolarHBondContact O-CB 3.47Å; H55-N59 PolarHBondContact O-N 3.4Å; H55-N59 PolarHBondContact O-ND2 2.93Å; H55-E138 HydrophobicContact CB-CG 4.23Å; H55-E138 IonicContact CD2-OE1 3.74Å; H55-E138 PolarHBondContact CD2-OE1 3.35Å; H55-E138 IonicContact CG-OE1 3.93Å; H55-E138 PolarHBondContact N-OE2 2.86Å
56A76.9Confident78Confident64 Ų6458.3 Ų58.353%0.52933%0.333SS..Hα-helixtrans-66.9-43.617900000111.2A53 L60A53-A56 HydrophobicContact CB-CB 4.28Å; A56-L60 WeakPolarHBondContact O-CB 3.42Å; A56-L60 PolarHBondContact O-N 2.87Å
57G81.6Confident79.3Confident15 Ų1553.7 Ų53.716%0.15531%0.307CS..Hα-helixtrans-62.3-46.5175.300000112A53 L60 L61A53-G57 WeakPolarHBondContact O-CA 3.4Å; A53-G57 PolarHBondContact O-N 3.43Å; G57-L60 PolarHBondContact O-N 3.46Å; G57-L61 WeakPolarHBondContact O-CB 3.32Å; G57-L61 PolarHBondContact O-N 3.44Å
58A86.2Confident80.7Confident0 Ų053 Ų530%030%0.303CS..Hα-helixtrans-64.5-43179.700000111.4A38 R39 F44 V54 L60 L61 I62A38-A58 HydrophobicContact CB-CB 3.95Å; R39-A58 HydrophobicContact CB-CB 4.03Å; F44-A58 HydrophobicContact CE1-CB 4.47Å; F44-A58 HydrophobicContact CZ-CB 4.07Å; V54-A58 WeakPolarHBondContact O-CA 3.48Å; V54-A58 WeakPolarHBondContact O-CB 3.49Å; V54-A58 PolarHBondContact O-N 2.96Å; A58-L60 VanDerWaalsContact C-N 3.32Å; A58-L60 PolarHBondContact O-N 2.84Å; A58-L61 PolarHBondContact O-N 3.09Å; A58-I62 WeakPolarHBondContact O-CB 3.31Å; A58-I62 WeakPolarHBondContact O-CG1 3.48Å; A58-I62 PolarHBondContact O-N 2.98Å
59N88.5Confident82.1Confident79 Ų7951.3 Ų51.342%0.42229%0.294SS..Hα-helixtrans-60.3-42.6176.1-71.9-13.4000111.7H55 A63H55-N59 WeakPolarHBondContact O-CB 3.47Å; H55-N59 PolarHBondContact O-N 3.4Å; H55-N59 PolarHBondContact O-ND2 2.93Å; N59-A63 WeakPolarHBondContact O-CB 3.28Å; N59-A63 PolarHBondContact O-N 3.36Å
60L89.9Confident83.9Confident116 Ų11650.5 Ų50.561%0.60728%0.279SS*.Hα-helixtrans-63.6-43.9174.9-177.166000111.4A56 G57 A58 A63 V64A56-L60 WeakPolarHBondContact O-CB 3.42Å; A56-L60 PolarHBondContact O-N 2.87Å; G57-L60 PolarHBondContact O-N 3.46Å; A58-L60 VanDerWaalsContact C-N 3.32Å; A58-L60 PolarHBondContact O-N 2.84Å; L60-A63 PolarHBondContact O-N 2.93Å; L60-V64 HydrophobicContact CD1-CG2 4.06Å; L60-V64 HydrophobicContact CG-CG2 4.32Å; L60-V64 WeakPolarHBondContact O-CB 3.43Å; L60-V64 VanDerWaalsContact O-CG2 3.29Å; L60-V64 WeakPolarHBondContact O-CG2 3.27Å; L60-V64 PolarHBondContact O-N 3.36Å
61L90.6Very high85.4Confident44 Ų4446.1 Ų46.123%0.2326%0.259CS..Hα-helixtrans-64.2-40.4179.6-140.274000112T31 V34 F44 G57 A58 G65T31-L61 HydrophobicContact CG2-CD1 4.16Å; T31-L61 HydrophobicContact CG2-CD2 4.36Å; T31-L61 HydrophobicContact CG2-CG 3.72Å; V34-L61 HydrophobicContact CB-CD2 4.33Å; V34-L61 HydrophobicContact CG1-CD2 3.82Å; F44-L61 HydrophobicContact CE1-CD2 3.98Å; G57-L61 WeakPolarHBondContact O-CB 3.32Å; G57-L61 PolarHBondContact O-N 3.44Å; A58-L61 PolarHBondContact O-N 3.09Å; L61-G65 WeakPolarHBondContact O-CA 3.46Å; L61-G65 PolarHBondContact O-N 3.44Å
62I93.4Very high87Confident40 Ų4044.1 Ų44.121%0.20525%0.249CC..Hα-helixtrans-60.8-51.4172.9-69.2167.3000109.7F32 G35 I36 R39 A58 F66F32-I62 HydrophobicContact CD2-CG2 4.1Å; F32-I62 HydrophobicContact CE2-CG2 3.76Å; G35-I62 VanDerWaalsContact C-CG1 3.41Å; I36-I62 HydrophobicContact CG1-CD1 4.4Å; I36-I62 HydrophobicContact CG1-CG1 4.27Å; R39-I62 HydrophobicContact CB-CD1 3.99Å; R39-I62 HydrophobicContact CG-CD1 4.38Å; A58-I62 WeakPolarHBondContact O-CB 3.31Å; A58-I62 WeakPolarHBondContact O-CG1 3.48Å; A58-I62 PolarHBondContact O-N 2.98Å; I62-F66 WeakPolarHBondContact O-CB 3.44Å; I62-F66 PolarHBondContact O-N 3.19Å
63A94.3Very high88.6Confident59 Ų5948.7 Ų48.749%0.48827%0.268SS..Hα-helixtrans-61.8-48.7-177.800000112N59 L60 F67N59-A63 WeakPolarHBondContact O-CB 3.28Å; N59-A63 PolarHBondContact O-N 3.36Å; L60-A63 PolarHBondContact O-N 2.93Å; A63-F67 WeakPolarHBondContact O-CB 3.48Å; A63-F67 PolarHBondContact O-N 3.5Å
64V94.4Very high90Very high65 Ų6549 Ų4939%0.39427%0.267SS..Hα-helixtrans-67.2-45.4179.8173.60000111L60 F66 F67 I68L60-V64 HydrophobicContact CD1-CG2 4.06Å; L60-V64 HydrophobicContact CG-CG2 4.32Å; L60-V64 WeakPolarHBondContact O-CB 3.43Å; L60-V64 VanDerWaalsContact O-CG2 3.29Å; L60-V64 WeakPolarHBondContact O-CG2 3.27Å; L60-V64 PolarHBondContact O-N 3.36Å; V64-F66 PolarHBondContact O-N 3.21Å; V64-F67 PolarHBondContact O-N 3.24Å; V64-I68 HydrophobicContact CG1-CD1 3.65Å; V64-I68 HydrophobicContact CG1-CG1 4.33Å; V64-I68 VanDerWaalsContact O-CG1 3.28Å; V64-I68 WeakPolarHBondContact O-CG1 3.48Å; V64-I68 PolarHBondContact O-N 3.29Å
65G96.2Very high91.2Very high0 Ų048.8 Ų48.80%027%0.266CS..Hα-helixtrans-61.3-44.9178.600000112.4L61 F67 I68 M69L61-G65 WeakPolarHBondContact O-CA 3.46Å; L61-G65 PolarHBondContact O-N 3.44Å; G65-F67 PolarHBondContact O-N 2.74Å; G65-I68 PolarHBondContact O-N 3.06Å; G65-M69 VanDerWaalsContact O-CB 3.29Å; G65-M69 WeakPolarHBondContact O-CB 3.47Å; G65-M69 PolarHBondContact O-N 2.99Å
66F96.3Very high92.1Very high96 Ų9646 Ų4642%0.42125%0.254SS..Hα-helixtrans-60.9-44.3175.6-177.9-109.8000112F32 I62 V64 M69 I70F32-F66 HydrophobicContact CD2-CB 3.75Å; F32-F66 HydrophobicContact CD2-CD2 4.46Å; F32-F66 HydrophobicContact CE2-CB 3.81Å; F32-F66 AromaticContact CE2-CD2 3.96Å; F32-F66 HydrophobicContact CE2-CD2 3.96Å; F32-F66 HydrophobicContact CE2-CG 4.27Å; F32-F66 HydrophobicContact CZ-CD2 4.19Å; I62-F66 WeakPolarHBondContact O-CB 3.44Å; I62-F66 PolarHBondContact O-N 3.19Å; V64-F66 PolarHBondContact O-N 3.21Å; F66-M69 HydrophobicContact CD2-CE 3.55Å; F66-M69 HydrophobicContact CE2-CE 3.88Å; F66-M69 WeakPolarHBondContact O-CB 3.4Å; F66-M69 PolarHBondContact O-N 3.47Å; F66-I70 HydrophobicContact CD1-CD1 3.92Å; F66-I70 HydrophobicContact CE1-CD1 3.32Å; F66-I70 HydrophobicContact CE1-CG1 4.38Å; F66-I70 HydrophobicContact CE2-CD1 4.07Å; F66-I70 HydrophobicContact CE2-CG1 4.48Å; F66-I70 HydrophobicContact CZ-CD1 3.41Å; F66-I70 VanDerWaalsContact CZ-CD1 3.41Å; F66-I70 HydrophobicContact CZ-CG1 4.27Å; F66-I70 PolarHBondContact O-N 2.92Å
67F95.1Very high92.9Very high66 Ų6644 Ų4429%0.28924%0.236SC..Hα-helixtrans-65.2-45.1179.8-174.8-97.7000112.2A63 V64 G65 M69 I70 M71 F93 C97A63-F67 WeakPolarHBondContact O-CB 3.48Å; A63-F67 PolarHBondContact O-N 3.5Å; V64-F67 PolarHBondContact O-N 3.24Å; G65-F67 PolarHBondContact O-N 2.74Å; F67-M69 VanDerWaalsContact C-N 3.32Å; F67-M69 PolarHBondContact O-N 3.38Å; F67-I70 PolarHBondContact O-N 3.49Å; F67-M71 HydrophobicContact CD1-CE 3.48Å; F67-M71 VanDerWaalsContact CD1-CE 3.48Å; F67-M71 HydrophobicContact CD1-CG 4.37Å; F67-M71 HydrophobicContact CD1-SD 4.04Å; F67-M71 HydrophobicContact CE1-CE 3.22Å; F67-M71 HydrophobicContact CE1-CG 3.89Å; F67-M71 HydrophobicContact CE1-SD 3.23Å; F67-M71 WeakPolarHBondContact CE1-SD 3.3Å; F67-M71 HydrophobicContact CZ-CE 4.22Å; F67-M71 HydrophobicContact CZ-CG 4.01Å; F67-M71 HydrophobicContact CZ-SD 3.64Å; F67-M71 WeakPolarHBondContact O-CG 3.24Å; F67-M71 PolarHBondContact O-N 2.96Å; F67-F93 AromaticContact CE2-CD1 3.98Å; F67-F93 HydrophobicContact CE2-CD1 3.98Å; F67-F93 HydrophobicContact CE2-CE1 4.45Å; F67-F93 HydrophobicContact CZ-CD1 4.22Å; F67-C97 WeakPolarHBondContact CE1-SG 3.38Å; F67-C97 WeakPolarHBondContact CZ-SG 3.32Å
68I95.3Very high93.4Very high54 Ų5443.3 Ų43.328%0.27723%0.229SC..Hα-helixtrans-61.1-42174.5-66.8169.4000110.7A24 V64 G65 M71 G72A24-I68 WeakPolarHBondContact O-CG2 3.43Å; V64-I68 HydrophobicContact CG1-CD1 3.65Å; V64-I68 HydrophobicContact CG1-CG1 4.33Å; V64-I68 VanDerWaalsContact O-CG1 3.28Å; V64-I68 WeakPolarHBondContact O-CG1 3.48Å; V64-I68 PolarHBondContact O-N 3.29Å; G65-I68 PolarHBondContact O-N 3.06Å; I68-M71 HydrophobicContact CG1-CE 4.41Å; I68-M71 PolarHBondContact O-N 3.49Å; I68-G72 PolarHBondContact O-N 3Å
69M95.8Very high93.6Very high33 Ų3343.3 Ų43.316%0.16323%0.229CC..Hα-helixtrans-60.3-47.2176.9-178.9-174.668.300111.5W25 L29 G65 F66 F67 G72 F73W25-M69 VanDerWaalsContact CD1-O 3.26Å; L29-M69 HydrophobicContact CD1-SD 3.77Å; G65-M69 VanDerWaalsContact O-CB 3.29Å; G65-M69 WeakPolarHBondContact O-CB 3.47Å; G65-M69 PolarHBondContact O-N 2.99Å; F66-M69 HydrophobicContact CD2-CE 3.55Å; F66-M69 HydrophobicContact CE2-CE 3.88Å; F66-M69 WeakPolarHBondContact O-CB 3.4Å; F66-M69 PolarHBondContact O-N 3.47Å; F67-M69 VanDerWaalsContact C-N 3.32Å; F67-M69 PolarHBondContact O-N 3.38Å; M69-G72 PolarHBondContact O-N 3.37Å; M69-F73 WeakPolarHBondContact O-CB 3.35Å; M69-F73 PolarHBondContact O-N 2.99Å
70I95Very high93.7Very high57 Ų5744.4 Ų44.429%0.29223%0.233SC..Hα-helixtrans-61.6-48.4176.8-71.3177.2000111F66 F67 G72 F73 L74F66-I70 HydrophobicContact CD1-CD1 3.92Å; F66-I70 HydrophobicContact CE1-CD1 3.32Å; F66-I70 HydrophobicContact CE1-CG1 4.38Å; F66-I70 HydrophobicContact CE2-CD1 4.07Å; F66-I70 HydrophobicContact CE2-CG1 4.48Å; F66-I70 HydrophobicContact CZ-CD1 3.41Å; F66-I70 VanDerWaalsContact CZ-CD1 3.41Å; F66-I70 HydrophobicContact CZ-CG1 4.27Å; F66-I70 PolarHBondContact O-N 2.92Å; F67-I70 PolarHBondContact O-N 3.49Å; I70-G72 VanDerWaalsContact C-N 3.34Å; I70-G72 PolarHBondContact O-N 3.48Å; I70-F73 PolarHBondContact O-N 3.49Å; I70-L74 HydrophobicContact CG2-CD1 3.81Å; I70-L74 HydrophobicContact CG2-CG 4.21Å; I70-L74 WeakPolarHBondContact O-CG 3.5Å; I70-L74 PolarHBondContact O-N 2.97Å
71M93.9Very high93.7Very high27 Ų2747.9 Ų47.913%0.13324%0.239CC..Hα-helixtrans-59.8-44.4179.3-73.6-165.3-60.600112F67 I68 F73 L74 G75 F90 F93 V94F67-M71 HydrophobicContact CD1-CE 3.48Å; F67-M71 VanDerWaalsContact CD1-CE 3.48Å; F67-M71 HydrophobicContact CD1-CG 4.37Å; F67-M71 HydrophobicContact CD1-SD 4.04Å; F67-M71 HydrophobicContact CE1-CE 3.22Å; F67-M71 HydrophobicContact CE1-CG 3.89Å; F67-M71 HydrophobicContact CE1-SD 3.23Å; F67-M71 WeakPolarHBondContact CE1-SD 3.3Å; F67-M71 HydrophobicContact CZ-CE 4.22Å; F67-M71 HydrophobicContact CZ-CG 4.01Å; F67-M71 HydrophobicContact CZ-SD 3.64Å; F67-M71 WeakPolarHBondContact O-CG 3.24Å; F67-M71 PolarHBondContact O-N 2.96Å; I68-M71 HydrophobicContact CG1-CE 4.41Å; I68-M71 PolarHBondContact O-N 3.49Å; M71-F73 VanDerWaalsContact C-N 3.34Å; M71-F73 PolarHBondContact O-N 2.94Å; M71-L74 PolarHBondContact O-N 3.19Å; M71-G75 PolarHBondContact O-N 3.45Å; M71-F90 HydrophobicContact CB-CE2 4.49Å; M71-F90 VanDerWaalsContact O-CD2 3.3Å; M71-F90 WeakPolarHBondContact O-CD2 3.35Å; M71-F93 HydrophobicContact CG-CB 4.24Å; M71-F93 HydrophobicContact SD-CB 4.4Å; M71-V94 HydrophobicContact SD-CG2 4.29Å
72G94.9Very high93.5Very high3 Ų349.7 Ų49.73%0.03125%0.246CC..Hα-helixtrans-61.3-42176.700000112.3I68 M69 I70 G75 C76I68-G72 PolarHBondContact O-N 3Å; M69-G72 PolarHBondContact O-N 3.37Å; I70-G72 VanDerWaalsContact C-N 3.34Å; I70-G72 PolarHBondContact O-N 3.48Å; G72-G75 PolarHBondContact O-N 3.3Å; G72-C76 WeakPolarHBondContact O-CB 3.35Å; G72-C76 PolarHBondContact O-N 2.87Å; G72-C76 PolarHBondContact O-SG 3.28Å
73F94.4Very high93.4Very high113 Ų11349.6 Ų49.650%0.49625%0.249SC..Hα-helixtrans-64.4-48.1177-179.2-102.1000112.1M69 I70 M71 G75 C76 C77M69-F73 WeakPolarHBondContact O-CB 3.35Å; M69-F73 PolarHBondContact O-N 2.99Å; I70-F73 PolarHBondContact O-N 3.49Å; M71-F73 VanDerWaalsContact C-N 3.34Å; M71-F73 PolarHBondContact O-N 2.94Å; F73-G75 VanDerWaalsContact C-N 3.33Å; F73-G75 PolarHBondContact O-N 2.95Å; F73-C76 PolarHBondContact O-N 2.91Å; F73-C77 VanDerWaalsContact CE2-SG 3.51Å; F73-C77 WeakPolarHBondContact CZ-SG 3.23Å; F73-C77 WeakPolarHBondContact O-CB 3.3Å; F73-C77 PolarHBondContact O-N 3.47Å; F73-C77 PolarHBondContact O-SG 3.27Å
74L94.7Very high93.2Very high22 Ų2250.2 Ų50.212%0.11524%0.241CC..Hα-helixtrans-59.7-43.4177.1-69.6175.1000111.4I70 M71 G78 L86 F90 F93I70-L74 HydrophobicContact CG2-CD1 3.81Å; I70-L74 HydrophobicContact CG2-CG 4.21Å; I70-L74 WeakPolarHBondContact O-CG 3.5Å; I70-L74 PolarHBondContact O-N 2.97Å; M71-L74 PolarHBondContact O-N 3.19Å; L74-G78 WeakPolarHBondContact O-CA 3.37Å; L74-G78 PolarHBondContact O-N 3.34Å; L74-L86 HydrophobicContact CD2-CD2 3.97Å; L74-F90 HydrophobicContact CB-CB 4.37Å; L74-F93 HydrophobicContact CD1-CD2 3.7Å; L74-F93 HydrophobicContact CD1-CE2 3.72Å
75G93.7Very high93.2Very high0 Ų051.1 Ų51.10%025%0.25CS..Hα-helixtrans-62.5-46.3175.700000112.7M71 G72 F73 A79M71-G75 PolarHBondContact O-N 3.45Å; G72-G75 PolarHBondContact O-N 3.3Å; F73-G75 VanDerWaalsContact C-N 3.33Å; F73-G75 PolarHBondContact O-N 2.95Å; G75-A79 WeakPolarHBondContact O-CB 3.44Å; G75-A79 PolarHBondContact O-N 2.89Å
76C93.6Very high93Very high13 Ų1352.9 Ų52.99%0.08826%0.259CS..Hα-helixtrans-62.5-50.2177.3-70.60000112.4F18 C21 L22 G72 F73 A79 I80F18-C76 HydrophobicContact CD2-CB 4.18Å; F18-C76 HydrophobicContact CE2-CB 4.02Å; C21-C76 WeakPolarHBondContact CB-SG 3.26Å; L22-C76 VanDerWaalsContact CA-SG 3.55Å; L22-C76 PolarHBondContact N-SG 2.93Å; G72-C76 WeakPolarHBondContact O-CB 3.35Å; G72-C76 PolarHBondContact O-N 2.87Å; G72-C76 PolarHBondContact O-SG 3.28Å; F73-C76 PolarHBondContact O-N 2.91Å; C76-A79 PolarHBondContact O-N 3.45Å; C76-I80 PolarHBondContact O-N 3.33Å
77C93.4Very high92.8Very high23 Ų2348.3 Ų48.316%0.15524%0.239CC..Hα-helixtrans-68.1-37.9-179-70.30000112F73 A79 R81 L86F73-C77 VanDerWaalsContact CE2-SG 3.51Å; F73-C77 WeakPolarHBondContact CZ-SG 3.23Å; F73-C77 WeakPolarHBondContact O-CB 3.3Å; F73-C77 PolarHBondContact O-N 3.47Å; F73-C77 PolarHBondContact O-SG 3.27Å; C77-A79 VanDerWaalsContact C-N 3.34Å; C77-R81 VanDerWaalsContact O-CB 3.24Å; C77-R81 WeakPolarHBondContact O-CB 3.33Å; C77-R81 WeakPolarHBondContact O-CG 3.41Å; C77-R81 PolarHBondContact O-N 3.48Å; C77-L86 HydrophobicContact CB-CD1 3.81Å
78G91.6Very high92.7Very high0 Ų051.3 Ų51.30%025%0.252CS..Hα-helixtrans-60.6-43.3173.100000111.9L74 E82 S83L74-G78 WeakPolarHBondContact O-CA 3.37Å; L74-G78 PolarHBondContact O-N 3.34Å; G78-E82 WeakPolarHBondContact O-CA 3.23Å; G78-E82 PolarHBondContact O-N 3.48Å; G78-S83 PolarHBondContact O-N 3.23Å
79A90.4Very high92.7Very high0 Ų052 Ų520%026%0.256CS..Hα-helixtrans-67.4-48.6176.700000112.8K14 F18 G75 C76 C77 L219K14-A79 WeakPolarHBondContact CE-O 3.36Å; F18-A79 HydrophobicContact CB-CB 4.41Å; G75-A79 WeakPolarHBondContact O-CB 3.44Å; G75-A79 PolarHBondContact O-N 2.89Å; C76-A79 PolarHBondContact O-N 3.45Å; C77-A79 VanDerWaalsContact C-N 3.34Å; A79-L219 HydrophobicContact CB-CD2 4.29Å
80I89.8Confident92.6Very high101 Ų10151.1 Ų51.152%0.51825%0.251SS..Hα-helixtrans-66.4-51.1-178.6-71.3172.1000111.6F18 C76 E82F18-I80 HydrophobicContact CD2-CD1 3.83Å; F18-I80 HydrophobicContact CD2-CG1 3.73Å; F18-I80 HydrophobicContact CE2-CD1 3.19Å; F18-I80 HydrophobicContact CE2-CG1 3.65Å; F18-I80 HydrophobicContact CZ-CD1 3.74Å; F18-I80 HydrophobicContact CZ-CG1 4.39Å; C76-I80 PolarHBondContact O-N 3.33Å; I80-E82 PolarHBondContact O-N 3.39Å
81R90.3Very high92.6Very high190 Ų19050.5 Ų50.572%0.71725%0.247SC*.Hα-helixtrans-79.4-4.3-173.3-63.9-173.9173.4-169.8-1.5113.1C77 S83C77-R81 VanDerWaalsContact O-CB 3.24Å; C77-R81 WeakPolarHBondContact O-CB 3.33Å; C77-R81 WeakPolarHBondContact O-CG 3.41Å; C77-R81 PolarHBondContact O-N 3.48Å; R81-S83 PolarHBondContact O-N 2.86Å; R81-S83 VanDerWaalsContact O-N 3.1Å
82E88Confident92.7Very high81 Ų8151 Ų5138%0.37926%0.256SS..THydrogen-bonded Turntrans50.437.1-174.6-62.6-179169.400111.3K14 G78 I80 Q84 I223K14-E82 IonicContact NZ-OE1 2.66Å; K14-E82 PolarHBondContact NZ-OE1 2.93Å; G78-E82 WeakPolarHBondContact O-CA 3.23Å; G78-E82 PolarHBondContact O-N 3.48Å; I80-E82 PolarHBondContact O-N 3.39Å; E82-Q84 PolarHBondContact O-N 2.95Å; E82-I223 HydrophobicContact CB-CD1 3.87Å; E82-I223 HydrophobicContact CB-CG1 4.12Å; E82-I223 HydrophobicContact CG-CD1 4.38Å; E82-I223 WeakPolarHBondContact O-CG2 3.49Å
83S90.7Very high92.6Very high38 Ų3854.5 Ų54.527%0.26627%0.27SS..  trans-91.3110.4-176-178.80000110G78 R81 C85 L86 L87G78-S83 PolarHBondContact O-N 3.23Å; R81-S83 PolarHBondContact O-N 2.86Å; R81-S83 VanDerWaalsContact O-N 3.1Å; S83-C85 PolarHBondContact O-N 3.42Å; S83-L86 PolarHBondContact O-N 3.42Å; S83-L87 WeakPolarHBondContact O-CB 3.38Å; S83-L87 PolarHBondContact O-N 2.91Å; S83-L87 VanDerWaalsContact O-N 3.09Å
84Q90.4Very high92.7Very high72 Ų7249.3 Ų49.334%0.33625%0.248SC..Hα-helixtrans-54.6-38.6176.6-67.5176.2-30.900112.3E82 L87 F88 I223 R224E82-Q84 PolarHBondContact O-N 2.95Å; Q84-L87 PolarHBondContact O-N 2.95Å; Q84-F88 VanDerWaalsContact O-CB 3.28Å; Q84-F88 WeakPolarHBondContact O-CB 3.4Å; Q84-F88 PolarHBondContact O-N 3.47Å; Q84-I223 HydrophobicContact CG-CB 4.32Å; Q84-I223 HydrophobicContact CG-CG2 3.74Å; Q84-R224 VanDerWaalsContact NE2-CB 3.27Å
85C92.9Very high92.7Very high85 Ų8553.3 Ų53.357%0.57426%0.264SS*.Hα-helixtrans-63-48.5179.2-178.30000112S83 L87 F88 L89S83-C85 PolarHBondContact O-N 3.42Å; C85-L87 VanDerWaalsContact C-N 3.32Å; C85-L87 PolarHBondContact O-N 2.89Å; C85-F88 PolarHBondContact O-N 3.19Å; C85-L89 WeakPolarHBondContact O-CG 3.31Å; C85-L89 PolarHBondContact O-N 3.24Å
86L93.5Very high92.8Very high36 Ų3658.9 Ų58.919%0.18829%0.288CS..Hα-helixtrans-64.8-38.6178.8-69.1177.1000112.1L74 C77 S83 L89 F90L74-L86 HydrophobicContact CD2-CD2 3.97Å; C77-L86 HydrophobicContact CB-CD1 3.81Å; S83-L86 PolarHBondContact O-N 3.42Å; L86-L89 PolarHBondContact O-N 3.43Å; L86-F90 PolarHBondContact O-N 3.39Å
87L92.3Very high92.9Very high0 Ų059.2 Ų59.20%029%0.291CS..Hα-helixtrans-69-38.8179.2-163.962.1000111.7M17 S83 Q84 C85 F90 F91 S216 L219 C220 I223M17-L87 HydrophobicContact CE-CD1 3.47Å; M17-L87 VanDerWaalsContact CE-CD1 3.47Å; M17-L87 HydrophobicContact SD-CD1 4.12Å; S83-L87 WeakPolarHBondContact O-CB 3.38Å; S83-L87 PolarHBondContact O-N 2.91Å; S83-L87 VanDerWaalsContact O-N 3.09Å; Q84-L87 PolarHBondContact O-N 2.95Å; C85-L87 VanDerWaalsContact C-N 3.32Å; C85-L87 PolarHBondContact O-N 2.89Å; L87-F90 PolarHBondContact O-N 3.38Å; L87-F91 PolarHBondContact O-N 3.47Å; L87-S216 VanDerWaalsContact CD1-OG 3.31Å; L87-S216 WeakPolarHBondContact CD1-OG 3.42Å; L87-S216 VanDerWaalsContact CD2-O 3.27Å; L87-S216 WeakPolarHBondContact CD2-O 3.34Å; L87-S216 VanDerWaalsContact CG-OG 3.31Å; L87-S216 WeakPolarHBondContact CG-OG 3.29Å; L87-S216 PolarHBondContact O-OG 2.79Å; L87-L219 HydrophobicContact CD1-CD2 4Å; L87-L219 HydrophobicContact CD2-CB 3.82Å; L87-L219 HydrophobicContact CD2-CD2 3.82Å; L87-L219 HydrophobicContact CD2-CG 3.94Å; L87-C220 HydrophobicContact CD2-CB 3.69Å; L87-C220 VanDerWaalsContact CD2-N 3.27Å; L87-C220 HydrophobicContact CG-CB 4.39Å; L87-I223 HydrophobicContact CD2-CD1 4.23Å
88F92.8Very high93Very high129 Ų12960.3 Ų60.357%0.56629%0.293SS*.Hα-helixtrans-65.5-40.6172.2-177-98.7000112Q84 C85 F91 A92Q84-F88 VanDerWaalsContact O-CB 3.28Å; Q84-F88 WeakPolarHBondContact O-CB 3.4Å; Q84-F88 PolarHBondContact O-N 3.47Å; C85-F88 PolarHBondContact O-N 3.19Å; F88-F91 WeakPolarHBondContact O-CB 3.31Å; F88-F91 PolarHBondContact O-N 2.96Å; F88-A92 WeakPolarHBondContact O-CB 3.47Å; F88-A92 PolarHBondContact O-N 3.49Å
89L94.4Very high93.2Very high69 Ų6962.9 Ų62.936%0.36131%0.309SS..Hα-helixtrans-61.1-46.1173.5-72.5174.5000111.4C85 L86 F91 A92 F93C85-L89 WeakPolarHBondContact O-CG 3.31Å; C85-L89 PolarHBondContact O-N 3.24Å; L86-L89 PolarHBondContact O-N 3.43Å; L89-F91 VanDerWaalsContact C-N 3.34Å; L89-F91 PolarHBondContact O-N 3.43Å; L89-A92 PolarHBondContact O-N 2.82Å; L89-F93 WeakPolarHBondContact O-CD2 3.28Å; L89-F93 PolarHBondContact O-N 3.35Å
90F94.2Very high93.5Very high14 Ų1467.2 Ų67.26%0.06133%0.332CS..Hα-helixtrans-56.5-48.3174.3174.9-104.3000111.5M17 M71 L74 L86 L87 A92 F93 V94M17-F90 HydrophobicContact CE-CD1 3.76Å; M17-F90 HydrophobicContact CE-CE1 3.7Å; M17-F90 HydrophobicContact CE-CZ 4.49Å; M71-F90 HydrophobicContact CB-CE2 4.49Å; M71-F90 VanDerWaalsContact O-CD2 3.3Å; M71-F90 WeakPolarHBondContact O-CD2 3.35Å; L74-F90 HydrophobicContact CB-CB 4.37Å; L86-F90 PolarHBondContact O-N 3.39Å; L87-F90 PolarHBondContact O-N 3.38Å; F90-A92 PolarHBondContact O-N 3.3Å; F90-F93 PolarHBondContact O-N 2.99Å; F90-V94 HydrophobicContact CD1-CG2 4.48Å; F90-V94 HydrophobicContact CD2-CG2 4.17Å; F90-V94 HydrophobicContact CE1-CG2 4.11Å; F90-V94 HydrophobicContact CE2-CG2 3.77Å; F90-V94 HydrophobicContact CZ-CG2 3.74Å; F90-V94 VanDerWaalsContact O-CG2 3.3Å; F90-V94 WeakPolarHBondContact O-CG2 3.21Å; F90-V94 PolarHBondContact O-N 3.37Å
91F95Very high93.6Very high44 Ų4467.2 Ų67.219%0.19333%0.332CS..Hα-helixtrans-56.7-47.2174.8176.1-89.9000112.2L87 F88 L89 F93 V94 F95 M213 M217L87-F91 PolarHBondContact O-N 3.47Å; F88-F91 WeakPolarHBondContact O-CB 3.31Å; F88-F91 PolarHBondContact O-N 2.96Å; L89-F91 VanDerWaalsContact C-N 3.34Å; L89-F91 PolarHBondContact O-N 3.43Å; F91-F93 PolarHBondContact O-N 3.4Å; F91-V94 PolarHBondContact O-N 2.96Å; F91-F95 HydrophobicContact CE1-CB 4.41Å; F91-F95 VanDerWaalsContact O-CB 3.23Å; F91-F95 WeakPolarHBondContact O-CB 3.25Å; F91-F95 PolarHBondContact O-N 3.21Å; F91-M213 HydrophobicContact CD2-CB 3.92Å; F91-M213 HydrophobicContact CD2-CG 4Å; F91-M213 HydrophobicContact CE2-CB 3.78Å; F91-M213 HydrophobicContact CE2-CG 3.98Å; F91-M213 HydrophobicContact CE2-SD 4.29Å; F91-M217 HydrophobicContact CD2-CG 3.61Å; F91-M217 HydrophobicContact CD2-SD 3.93Å; F91-M217 HydrophobicContact CE2-CG 3.47Å; F91-M217 VanDerWaalsContact CE2-CG 3.47Å; F91-M217 HydrophobicContact CE2-SD 3.89Å; F91-M217 HydrophobicContact CG-SD 4.28Å; F91-M217 HydrophobicContact CZ-CG 4.29Å; F91-M217 HydrophobicContact CZ-SD 4.24Å
92A95Very high93.8Very high39 Ų3962.4 Ų62.432%0.32232%0.319SS..Hα-helixtrans-62.5-42.9-178.900000112.2F88 L89 F90 F96F88-A92 WeakPolarHBondContact O-CB 3.47Å; F88-A92 PolarHBondContact O-N 3.49Å; L89-A92 PolarHBondContact O-N 2.82Å; F90-A92 PolarHBondContact O-N 3.3Å; A92-F96 WeakPolarHBondContact O-CB 3.29Å; A92-F96 PolarHBondContact O-N 2.89Å
93F94.4Very high94.2Very high75 Ų7561.1 Ų61.133%0.32932%0.322SS..Hα-helixtrans-64.1-46.4175.4-81.2-67.4000112.1F67 M71 L74 L89 F90 F91 F95 F96 C97F67-F93 AromaticContact CE2-CD1 3.98Å; F67-F93 HydrophobicContact CE2-CD1 3.98Å; F67-F93 HydrophobicContact CE2-CE1 4.45Å; F67-F93 HydrophobicContact CZ-CD1 4.22Å; M71-F93 HydrophobicContact CG-CB 4.24Å; M71-F93 HydrophobicContact SD-CB 4.4Å; L74-F93 HydrophobicContact CD1-CD2 3.7Å; L74-F93 HydrophobicContact CD1-CE2 3.72Å; L89-F93 WeakPolarHBondContact O-CD2 3.28Å; L89-F93 PolarHBondContact O-N 3.35Å; F90-F93 PolarHBondContact O-N 2.99Å; F91-F93 PolarHBondContact O-N 3.4Å; F93-F95 VanDerWaalsContact C-N 3.35Å; F93-F95 PolarHBondContact O-N 2.85Å; F93-F96 PolarHBondContact O-N 2.96Å; F93-C97 PolarHBondContact O-N 3.32Å; F93-C97 PolarHBondContact O-SG 3.48Å; F93-C97 VanDerWaalsContact O-SG 3.4Å
94V94.7Very high94.3Very high5 Ų562 Ų623%0.0333%0.332CS..Hα-helixtrans-64-41.7178.6174.70000110.9M71 F90 F91 C97 F98 L209 M213M71-V94 HydrophobicContact SD-CG2 4.29Å; F90-V94 HydrophobicContact CD1-CG2 4.48Å; F90-V94 HydrophobicContact CD2-CG2 4.17Å; F90-V94 HydrophobicContact CE1-CG2 4.11Å; F90-V94 HydrophobicContact CE2-CG2 3.77Å; F90-V94 HydrophobicContact CZ-CG2 3.74Å; F90-V94 VanDerWaalsContact O-CG2 3.3Å; F90-V94 WeakPolarHBondContact O-CG2 3.21Å; F90-V94 PolarHBondContact O-N 3.37Å; F91-V94 PolarHBondContact O-N 2.96Å; V94-C97 PolarHBondContact O-N 2.93Å; V94-F98 WeakPolarHBondContact O-CB 3.46Å; V94-F98 PolarHBondContact O-N 3.43Å; V94-L209 HydrophobicContact CG1-CB 4.01Å; V94-L209 HydrophobicContact CG1-CD2 3.88Å; V94-L209 WeakPolarHBondContact CG1-O 3.25Å; V94-M213 HydrophobicContact CB-CG 4.17Å; V94-M213 HydrophobicContact CG1-CG 3.56Å; V94-M213 HydrophobicContact CG1-SD 4.3Å
95F96.1Very high94.3Very high106 Ų10660.4 Ų60.447%0.46534%0.335SS..Hα-helixtrans-61.7-45.3175.9179-101.7000111.6F91 F93 C97 F98 T99 M213F91-F95 HydrophobicContact CE1-CB 4.41Å; F91-F95 VanDerWaalsContact O-CB 3.23Å; F91-F95 WeakPolarHBondContact O-CB 3.25Å; F91-F95 PolarHBondContact O-N 3.21Å; F93-F95 VanDerWaalsContact C-N 3.35Å; F93-F95 PolarHBondContact O-N 2.85Å; F95-C97 VanDerWaalsContact C-N 3.34Å; F95-C97 PolarHBondContact O-N 3.39Å; F95-F98 PolarHBondContact O-N 3.21Å; F95-T99 HydrophobicContact CD1-CG2 4.35Å; F95-T99 HydrophobicContact CE1-CG2 3.92Å; F95-T99 HydrophobicContact CE2-CG2 4.15Å; F95-T99 HydrophobicContact CZ-CG2 3.81Å; F95-T99 WeakPolarHBondContact O-CG2 3.14Å; F95-T99 PolarHBondContact O-N 2.96Å; F95-T99 PolarHBondContact O-OG1 2.97Å; F95-M213 HydrophobicContact CB-SD 3.95Å; F95-M213 HydrophobicContact CD2-SD 4Å
96F95.7Very high94.3Very high116 Ų11661.7 Ų61.751%0.50934%0.335SS..Hα-helixtrans-60.7-41.5175.5-179-105.3000112.2A92 F93 T99 L100A92-F96 WeakPolarHBondContact O-CB 3.29Å; A92-F96 PolarHBondContact O-N 2.89Å; F93-F96 PolarHBondContact O-N 2.96Å; F96-T99 PolarHBondContact O-N 2.85Å; F96-T99 PolarHBondContact O-OG1 3.32Å; F96-L100 HydrophobicContact CD1-CD1 3.83Å; F96-L100 HydrophobicContact CD1-CG 4.42Å; F96-L100 HydrophobicContact CE1-CD1 3.28Å; F96-L100 HydrophobicContact CE1-CG 4.09Å; F96-L100 HydrophobicContact CE2-CD1 4.34Å; F96-L100 HydrophobicContact CE2-CG 4.34Å; F96-L100 HydrophobicContact CZ-CD1 3.58Å; F96-L100 HydrophobicContact CZ-CD2 4.31Å; F96-L100 HydrophobicContact CZ-CG 4.04Å; F96-L100 WeakPolarHBondContact O-CB 3.15Å; F96-L100 WeakPolarHBondContact O-CG 3.43Å; F96-L100 PolarHBondContact O-N 3.5Å
97C95Very high94.2Very high21 Ų2167.5 Ų67.514%0.14236%0.355CS..Hα-helixtrans-64.5-41.9173.9-72.40000113F67 F93 V94 F95 T99 L100 L101F67-C97 WeakPolarHBondContact CE1-SG 3.38Å; F67-C97 WeakPolarHBondContact CZ-SG 3.32Å; F93-C97 PolarHBondContact O-N 3.32Å; F93-C97 PolarHBondContact O-SG 3.48Å; F93-C97 VanDerWaalsContact O-SG 3.4Å; V94-C97 PolarHBondContact O-N 2.93Å; F95-C97 VanDerWaalsContact C-N 3.34Å; F95-C97 PolarHBondContact O-N 3.39Å; C97-T99 VanDerWaalsContact C-N 3.35Å; C97-T99 PolarHBondContact O-N 3.28Å; C97-L100 PolarHBondContact O-N 3.45Å; C97-L101 WeakPolarHBondContact O-CB 3.37Å; C97-L101 VanDerWaalsContact O-CG 3.26Å; C97-L101 WeakPolarHBondContact O-CG 3.29Å; C97-L101 PolarHBondContact O-N 3.44Å
98F95.6Very high93.9Very high45 Ų4570.1 Ų70.120%0.19738%0.377CS..Hα-helixtrans-60.9-45177.5177.8-99.5000111.3V94 F95 L101 M102 A206 L209 I210 M213V94-F98 WeakPolarHBondContact O-CB 3.46Å; V94-F98 PolarHBondContact O-N 3.43Å; F95-F98 PolarHBondContact O-N 3.21Å; F98-L101 PolarHBondContact O-N 3.07Å; F98-M102 HydrophobicContact CE1-CE 4.23Å; F98-M102 HydrophobicContact CE2-CE 3.99Å; F98-M102 HydrophobicContact CZ-CE 3.56Å; F98-M102 VanDerWaalsContact O-CB 3.29Å; F98-M102 WeakPolarHBondContact O-CB 3.33Å; F98-M102 PolarHBondContact O-N 3.38Å; F98-A206 HydrophobicContact CE2-CB 4.19Å; F98-L209 HydrophobicContact CB-CD1 4.33Å; F98-L209 HydrophobicContact CD2-CB 4.42Å; F98-L209 HydrophobicContact CD2-CD1 4.43Å; F98-I210 HydrophobicContact CD2-CG1 4.43Å; F98-I210 HydrophobicContact CE2-CD1 3.97Å; F98-I210 HydrophobicContact CE2-CG1 4Å; F98-I210 HydrophobicContact CZ-CD1 4.25Å; F98-I210 HydrophobicContact CZ-CG1 4.43Å; F98-M213 HydrophobicContact CB-CE 4.23Å; F98-M213 HydrophobicContact CD1-CE 4.37Å; F98-M213 HydrophobicContact CD2-CE 4.43Å; F98-M213 HydrophobicContact CG-CE 4.09Å
99T96Very high93.6Very high55 Ų5569 Ų6934%0.33738%0.38SS..Hα-helixtrans-67.3-39.7178.158.40000112.2F95 F96 C97 M102 A103F95-T99 HydrophobicContact CD1-CG2 4.35Å; F95-T99 HydrophobicContact CE1-CG2 3.92Å; F95-T99 HydrophobicContact CE2-CG2 4.15Å; F95-T99 HydrophobicContact CZ-CG2 3.81Å; F95-T99 WeakPolarHBondContact O-CG2 3.14Å; F95-T99 PolarHBondContact O-N 2.96Å; F95-T99 PolarHBondContact O-OG1 2.97Å; F96-T99 PolarHBondContact O-N 2.85Å; F96-T99 PolarHBondContact O-OG1 3.32Å; C97-T99 VanDerWaalsContact C-N 3.35Å; C97-T99 PolarHBondContact O-N 3.28Å; T99-M102 PolarHBondContact O-N 2.71Å; T99-A103 VanDerWaalsContact O-CB 3.27Å; T99-A103 WeakPolarHBondContact O-CB 3.26Å; T99-A103 PolarHBondContact O-N 2.94Å
100L95.6Very high93.4Very high91 Ų9169.6 Ų69.648%0.47640%0.395SS..Hα-helixtrans-63.1-44.8174.2-75.6-178.1000112.5F96 C97 A103 A104F96-L100 HydrophobicContact CD1-CD1 3.83Å; F96-L100 HydrophobicContact CD1-CG 4.42Å; F96-L100 HydrophobicContact CE1-CD1 3.28Å; F96-L100 HydrophobicContact CE1-CG 4.09Å; F96-L100 HydrophobicContact CE2-CD1 4.34Å; F96-L100 HydrophobicContact CE2-CG 4.34Å; F96-L100 HydrophobicContact CZ-CD1 3.58Å; F96-L100 HydrophobicContact CZ-CD2 4.31Å; F96-L100 HydrophobicContact CZ-CG 4.04Å; F96-L100 WeakPolarHBondContact O-CB 3.15Å; F96-L100 WeakPolarHBondContact O-CG 3.43Å; F96-L100 PolarHBondContact O-N 3.5Å; C97-L100 PolarHBondContact O-N 3.45Å; L100-A103 PolarHBondContact O-N 2.95Å; L100-A104 WeakPolarHBondContact O-CB 3.46Å; L100-A104 PolarHBondContact O-N 2.9Å
101L93.9Very high93Very high100 Ų10072.6 Ų72.652%0.52441%0.405SS..Hα-helixtrans-65.8-40.4177.7-72.7170.3000111.4C97 F98 A104 G105 L209C97-L101 WeakPolarHBondContact O-CB 3.37Å; C97-L101 VanDerWaalsContact O-CG 3.26Å; C97-L101 WeakPolarHBondContact O-CG 3.29Å; C97-L101 PolarHBondContact O-N 3.44Å; F98-L101 PolarHBondContact O-N 3.07Å; L101-A104 PolarHBondContact O-N 3.23Å; L101-G105 PolarHBondContact O-N 3.33Å; L101-L209 HydrophobicContact CD1-CD1 3.63Å
102M94Very high92.3Very high89 Ų8973.5 Ų73.544%0.43842%0.417SS..Hα-helixtrans-63.7-46175.1-169.363.966.800111.1F98 T99 A104 G105 L106F98-M102 HydrophobicContact CE1-CE 4.23Å; F98-M102 HydrophobicContact CE2-CE 3.99Å; F98-M102 HydrophobicContact CZ-CE 3.56Å; F98-M102 VanDerWaalsContact O-CB 3.29Å; F98-M102 WeakPolarHBondContact O-CB 3.33Å; F98-M102 PolarHBondContact O-N 3.38Å; T99-M102 PolarHBondContact O-N 2.71Å; M102-A104 PolarHBondContact O-N 3.35Å; M102-G105 PolarHBondContact O-N 3.35Å; M102-L106 HydrophobicContact CG-CD1 4.24Å; M102-L106 WeakPolarHBondContact O-CB 3.47Å; M102-L106 VanDerWaalsContact O-CG 3.29Å; M102-L106 WeakPolarHBondContact O-CG 3.32Å; M102-L106 PolarHBondContact O-N 2.92Å
103A95.3Very high91.5Very high54 Ų5476.7 Ų76.745%0.44644%0.437SS..Hα-helixtrans-61.5-43.5176.600000111.8T99 L100 L106 W107T99-A103 VanDerWaalsContact O-CB 3.27Å; T99-A103 WeakPolarHBondContact O-CB 3.26Å; T99-A103 PolarHBondContact O-N 2.94Å; L100-A103 PolarHBondContact O-N 2.95Å; A103-L106 PolarHBondContact O-N 3.48Å; A103-W107 WeakPolarHBondContact O-CB 3.37Å; A103-W107 PolarHBondContact O-N 3.48Å
104A92.4Very high91Very high58 Ų5878.6 Ų78.648%0.47945%0.446SS..Hα-helixtrans-63.1-41.2175.700000112.2L100 L101 M102 W107 A108L100-A104 WeakPolarHBondContact O-CB 3.46Å; L100-A104 PolarHBondContact O-N 2.9Å; L101-A104 PolarHBondContact O-N 3.23Å; M102-A104 PolarHBondContact O-N 3.35Å; A104-W107 PolarHBondContact O-N 3.48Å; A104-A108 WeakPolarHBondContact O-CB 3.35Å; A104-A108 PolarHBondContact O-N 2.93Å
105G91.5Very high90.2Very high38 Ų3881.3 Ų81.339%0.39246%0.462SS..Hα-helixtrans-64.2-47.8175.200000112.6L101 M102 W107 A108 V109L101-G105 PolarHBondContact O-N 3.33Å; M102-G105 PolarHBondContact O-N 3.35Å; G105-W107 VanDerWaalsContact C-N 3.32Å; G105-W107 PolarHBondContact O-N 2.84Å; G105-A108 PolarHBondContact O-N 2.84Å; G105-V109 WeakPolarHBondContact O-CG2 3.34Å; G105-V109 PolarHBondContact O-N 3.45Å
106L92.2Very high89.6Confident112 Ų11278.8 Ų78.859%0.58645%0.453SS*.Hα-helixtrans-61.1-41.8175.2-70.4175000111.4M102 A103 V109 A110M102-L106 HydrophobicContact CG-CD1 4.24Å; M102-L106 WeakPolarHBondContact O-CB 3.47Å; M102-L106 VanDerWaalsContact O-CG 3.29Å; M102-L106 WeakPolarHBondContact O-CG 3.32Å; M102-L106 PolarHBondContact O-N 2.92Å; A103-L106 PolarHBondContact O-N 3.48Å; L106-V109 PolarHBondContact O-N 2.91Å; L106-A110 VanDerWaalsContact O-CB 3.29Å; L106-A110 WeakPolarHBondContact O-CB 3.43Å; L106-A110 PolarHBondContact O-N 2.96Å
107W91.4Very high89.2Confident158 Ų15878.3 Ų78.360%0.59845%0.452SS*.Hα-helixtrans-61-46.2175.2-172.6-83.3000111.5A103 A104 G105 V109 A110 W111A103-W107 WeakPolarHBondContact O-CB 3.37Å; A103-W107 PolarHBondContact O-N 3.48Å; A104-W107 PolarHBondContact O-N 3.48Å; G105-W107 VanDerWaalsContact C-N 3.32Å; G105-W107 PolarHBondContact O-N 2.84Å; W107-V109 VanDerWaalsContact C-N 3.31Å; W107-V109 PolarHBondContact O-N 3.5Å; W107-A110 PolarHBondContact O-N 3.45Å; W107-W111 AromaticContact CE2-CE2 3.94Å; W107-W111 AromaticContact CE2-NE1 3.91Å; W107-W111 HydrophobicContact CH2-CZ2 4.06Å; W107-W111 HydrophobicContact CZ2-CD2 4.12Å; W107-W111 AromaticContact CZ2-CE2 3.54Å; W107-W111 HydrophobicContact CZ2-CH2 4.13Å; W107-W111 AromaticContact CZ2-CZ2 3.59Å; W107-W111 HydrophobicContact CZ2-CZ2 3.59Å; W107-W111 AromaticContact CZ2-NE1 3.74Å; W107-W111 AromaticContact NE1-CD2 3.97Å; W107-W111 WeakPolarHBondContact O-CB 3.2Å; W107-W111 PolarHBondContact O-N 3.32Å
108A87.2Confident88.7Confident55 Ų5583.7 Ų83.746%0.45547%0.471SS..Hα-helixtrans-60.1-39.7177.900000112.3A104 G105 S112A104-A108 WeakPolarHBondContact O-CB 3.35Å; A104-A108 PolarHBondContact O-N 2.93Å; G105-A108 PolarHBondContact O-N 2.84Å; A108-S112 PolarHBondContact O-N 2.84Å; A108-S112 VanDerWaalsContact O-N 3.13Å
109V86.6Confident88.3Confident106 Ų10683.9 Ų83.964%0.64247%0.473SS*.Hα-helixtrans-70.6-47.6176174.80000111.3G105 L106 W107 W111 S112G105-V109 WeakPolarHBondContact O-CG2 3.34Å; G105-V109 PolarHBondContact O-N 3.45Å; L106-V109 PolarHBondContact O-N 2.91Å; W107-V109 VanDerWaalsContact C-N 3.31Å; W107-V109 PolarHBondContact O-N 3.5Å; V109-W111 VanDerWaalsContact C-N 3.26Å; V109-W111 PolarHBondContact O-N 3.29Å; V109-S112 WeakPolarHBondContact O-CB 3.35Å; V109-S112 PolarHBondContact O-N 3.01Å; V109-S112 VanDerWaalsContact O-N 3.14Å; V109-S112 PolarHBondContact O-OG 3.33Å
110A89.4Confident88.1Confident80 Ų8084.5 Ų84.566%0.66147%0.47SS*.Hα-helixtrans-62-34.1-179.100000112.5L106 W107L106-A110 VanDerWaalsContact O-CB 3.29Å; L106-A110 WeakPolarHBondContact O-CB 3.43Å; L106-A110 PolarHBondContact O-N 2.96Å; W107-A110 PolarHBondContact O-N 3.45Å
111W86.3Confident87.8Confident77 Ų7786.5 Ų86.529%0.29247%0.471SS..THydrogen-bonded Turntrans-95.84.9179-80.450.9000113.8W107 V109 S113 K114 V115 Y118W107-W111 AromaticContact CE2-CE2 3.94Å; W107-W111 AromaticContact CE2-NE1 3.91Å; W107-W111 HydrophobicContact CH2-CZ2 4.06Å; W107-W111 HydrophobicContact CZ2-CD2 4.12Å; W107-W111 AromaticContact CZ2-CE2 3.54Å; W107-W111 HydrophobicContact CZ2-CH2 4.13Å; W107-W111 AromaticContact CZ2-CZ2 3.59Å; W107-W111 HydrophobicContact CZ2-CZ2 3.59Å; W107-W111 AromaticContact CZ2-NE1 3.74Å; W107-W111 AromaticContact NE1-CD2 3.97Å; W107-W111 WeakPolarHBondContact O-CB 3.2Å; W107-W111 PolarHBondContact O-N 3.32Å; V109-W111 VanDerWaalsContact C-N 3.26Å; V109-W111 PolarHBondContact O-N 3.29Å; W111-S113 PolarHBondContact O-N 3.49Å; W111-S113 VanDerWaalsContact O-N 3.1Å; W111-K114 HydrophobicContact CD2-CD 4.26Å; W111-K114 HydrophobicContact CE3-CB 4.36Å; W111-K114 HydrophobicContact CE3-CD 4.09Å; W111-K114 HydrophobicContact CZ3-CD 4.37Å; W111-K114 CarbonylContact O-C 3.5Å; W111-K114 WeakPolarHBondContact O-CA 3.29Å; W111-K114 WeakPolarHBondContact O-CB 3.45Å; W111-K114 PolarHBondContact O-N 2.84Å; W111-V115 WeakPolarHBondContact O-CG2 3.27Å; W111-V115 PolarHBondContact O-N 3.45Å; W111-Y118 HydrophobicContact CE3-CD2 4.29Å; W111-Y118 AromaticContact CE3-CE2 3.73Å; W111-Y118 HydrophobicContact CE3-CE2 3.73Å; W111-Y118 HydrophobicContact CH2-CE2 4.49Å; W111-Y118 HydrophobicContact CZ3-CD2 4.31Å; W111-Y118 AromaticContact CZ3-CE2 3.37Å; W111-Y118 HydrophobicContact CZ3-CE2 3.37Å; W111-Y118 AromaticContact CZ3-CZ 3.57Å; W111-Y118 WeakPolarHBondContact CZ3-OH 3.27Å
112S80.1Confident87.5Confident63 Ų6387 Ų8744%0.44147%0.466SS..Hα-helixtrans-49.8-40.6-176.957.30000113.6A108 V109 K114 V115A108-S112 PolarHBondContact O-N 2.84Å; A108-S112 VanDerWaalsContact O-N 3.13Å; V109-S112 WeakPolarHBondContact O-CB 3.35Å; V109-S112 PolarHBondContact O-N 3.01Å; V109-S112 VanDerWaalsContact O-N 3.14Å; V109-S112 PolarHBondContact O-OG 3.33Å; S112-K114 VanDerWaalsContact C-N 3.29Å; S112-K114 PolarHBondContact O-N 3.08Å; S112-V115 WeakPolarHBondContact O-CB 3.29Å; S112-V115 PolarHBondContact O-N 2.85Å
113S78.5Confident87.2Confident106 Ų10682.7 Ų82.774%0.74145%0.445SS*.Hα-helixtrans-63.3-32.3175.4-56.40000113.5W111W111-S113 PolarHBondContact O-N 3.49Å; W111-S113 VanDerWaalsContact O-N 3.1Å
114K82.5Confident86.9Confident116 Ų11682.7 Ų82.750%0.50444%0.436SS..Hα-helixtrans-87.3-22.7177.2-63.6-176-178.3178.20112.7W111 S112 N116 H117 Y118W111-K114 HydrophobicContact CD2-CD 4.26Å; W111-K114 HydrophobicContact CE3-CB 4.36Å; W111-K114 HydrophobicContact CE3-CD 4.09Å; W111-K114 HydrophobicContact CZ3-CD 4.37Å; W111-K114 CarbonylContact O-C 3.5Å; W111-K114 WeakPolarHBondContact O-CA 3.29Å; W111-K114 WeakPolarHBondContact O-CB 3.45Å; W111-K114 PolarHBondContact O-N 2.84Å; S112-K114 VanDerWaalsContact C-N 3.29Å; S112-K114 PolarHBondContact O-N 3.08Å; K114-N116 PolarHBondContact O-N 2.89Å; K114-N116 VanDerWaalsContact O-N 3.17Å; K114-H117 PolarHBondContact O-N 3.44Å; K114-Y118 HydrophobicContact CB-CD2 4Å; K114-Y118 HydrophobicContact CB-CE2 4.12Å; K114-Y118 WeakPolarHBondContact O-CD2 3.22Å; K114-Y118 PolarHBondContact O-N 3.4Å
115V78.7Confident86.7Confident61 Ų6184 Ų8437%0.3743%0.432SS..Hα-helixtrans-53.5-38.4180168.80000110.9W111 S112 H117 Y118 M119W111-V115 WeakPolarHBondContact O-CG2 3.27Å; W111-V115 PolarHBondContact O-N 3.45Å; S112-V115 WeakPolarHBondContact O-CB 3.29Å; S112-V115 PolarHBondContact O-N 2.85Å; V115-H117 PolarHBondContact O-N 3.28Å; V115-Y118 PolarHBondContact O-N 2.97Å; V115-M119 WeakPolarHBondContact O-CB 3.27Å; V115-M119 PolarHBondContact O-N 3.49Å
116N83.1Confident86.3Confident53 Ų5382.8 Ų82.828%0.28342%0.416SS..Hα-helixtrans-57.5-46.9174.8-69.5-21.5000112.1K114 Y120 H184 V188K114-N116 PolarHBondContact O-N 2.89Å; K114-N116 VanDerWaalsContact O-N 3.17Å; N116-Y120 PolarHBondContact O-N 3.44Å; N116-H184 PolarHBondContact O-NE2 3.17Å; N116-V188 WeakPolarHBondContact OD1-CG1 3.3Å; N116-V188 WeakPolarHBondContact OD1-CG2 3.41Å
117H87.7Confident86Confident107 Ų10777.7 Ų77.750%0.49539%0.39SS..Hα-helixtrans-69.8-42179.7-17422.2000111.9K114 V115 M119 Y120 R121K114-H117 PolarHBondContact O-N 3.44Å; V115-H117 PolarHBondContact O-N 3.28Å; H117-M119 PolarHBondContact O-N 2.87Å; H117-Y120 WeakPolarHBondContact O-CB 3.49Å; H117-Y120 PolarHBondContact O-N 3Å; H117-R121 PolarHBondContact CE1-NE 2.89Å; H117-R121 VanDerWaalsContact CE1-NE 3.32Å; H117-R121 WeakPolarHBondContact O-CG 3.37Å; H117-R121 PolarHBondContact O-N 2.97Å
118Y85.3Confident85.7Confident133 Ų13373.7 Ų73.752%0.52238%0.379SS..Hα-helixtrans-62.4-42.9176.2-86-80.8000112.1W111 K114 V115 Y120 R121 Y122W111-Y118 HydrophobicContact CE3-CD2 4.29Å; W111-Y118 AromaticContact CE3-CE2 3.73Å; W111-Y118 HydrophobicContact CE3-CE2 3.73Å; W111-Y118 HydrophobicContact CH2-CE2 4.49Å; W111-Y118 HydrophobicContact CZ3-CD2 4.31Å; W111-Y118 AromaticContact CZ3-CE2 3.37Å; W111-Y118 HydrophobicContact CZ3-CE2 3.37Å; W111-Y118 AromaticContact CZ3-CZ 3.57Å; W111-Y118 WeakPolarHBondContact CZ3-OH 3.27Å; K114-Y118 HydrophobicContact CB-CD2 4Å; K114-Y118 HydrophobicContact CB-CE2 4.12Å; K114-Y118 WeakPolarHBondContact O-CD2 3.22Å; K114-Y118 PolarHBondContact O-N 3.4Å; V115-Y118 PolarHBondContact O-N 2.97Å; Y118-Y120 VanDerWaalsContact C-N 3.31Å; Y118-Y120 PolarHBondContact O-N 2.94Å; Y118-R121 PolarHBondContact O-N 3.25Å; Y118-Y122 VanDerWaalsContact O-CB 3.27Å; Y118-Y122 WeakPolarHBondContact O-CB 3.48Å; Y118-Y122 PolarHBondContact O-N 3.03Å
119M86.6Confident85.4Confident50 Ų5076.4 Ų76.425%0.24638%0.378CS..Hα-helixtrans-61.3-42.7176.1-169.265.869.400110.8V115 H117 Y122 L123 L187V115-M119 WeakPolarHBondContact O-CB 3.27Å; V115-M119 PolarHBondContact O-N 3.49Å; H117-M119 PolarHBondContact O-N 2.87Å; M119-Y122 PolarHBondContact O-N 3.39Å; M119-L123 HydrophobicContact CG-CD1 4.22Å; M119-L123 WeakPolarHBondContact O-CB 3.32Å; M119-L123 WeakPolarHBondContact O-CG 3.44Å; M119-L123 PolarHBondContact O-N 3.45Å; M119-L187 HydrophobicContact SD-CD2 4.08Å
120Y90.7Very high85.1Confident68 Ų6873.1 Ų73.127%0.26735%0.354SS..Hα-helixtrans-58.9-52.9174.8-176.1-81.4000111.2N116 H117 Y118 Y122 L123 E124 V155 T156 H184N116-Y120 PolarHBondContact O-N 3.44Å; H117-Y120 WeakPolarHBondContact O-CB 3.49Å; H117-Y120 PolarHBondContact O-N 3Å; Y118-Y120 VanDerWaalsContact C-N 3.31Å; Y118-Y120 PolarHBondContact O-N 2.94Å; Y120-Y122 VanDerWaalsContact C-N 3.32Å; Y120-Y122 PolarHBondContact O-N 3.45Å; Y120-L123 PolarHBondContact O-N 2.86Å; Y120-E124 HydrophobicContact CD1-CB 4.47Å; Y120-E124 HydrophobicContact CE1-CB 4.31Å; Y120-E124 VanDerWaalsContact O-CB 3.27Å; Y120-E124 WeakPolarHBondContact O-CB 3.45Å; Y120-E124 PolarHBondContact O-N 3.45Å; Y120-V155 HydrophobicContact CD1-CG1 4.44Å; Y120-V155 HydrophobicContact CD2-CG1 3.58Å; Y120-V155 HydrophobicContact CE1-CG1 4.38Å; Y120-V155 HydrophobicContact CE2-CG1 3.53Å; Y120-V155 HydrophobicContact CG-CG1 4.05Å; Y120-T156 HydrophobicContact CE2-CG2 3.57Å; Y120-H184 HydrophobicContact CD2-CB 4.39Å; Y120-H184 PolarHBondContact N-CD2 2.91Å
121R90.6Very high84.6Confident133 Ų13373.4 Ų73.450%0.50234%0.338SS..Hα-helixtrans-61.1-40.2-179.7-73-61.8-163.4-173.22112.5H117 Y118 E124 E125H117-R121 PolarHBondContact CE1-NE 2.89Å; H117-R121 VanDerWaalsContact CE1-NE 3.32Å; H117-R121 WeakPolarHBondContact O-CG 3.37Å; H117-R121 PolarHBondContact O-N 2.97Å; Y118-R121 PolarHBondContact O-N 3.25Å; R121-E124 VanDerWaalsContact CD-OE2 3.27Å; R121-E124 WeakPolarHBondContact CD-OE2 3.18Å; R121-E124 IonicContact CZ-OE2 2.67Å; R121-E124 IonicContact NE-OE2 3.26Å; R121-E124 IonicContact NH1-OE1 3.93Å; R121-E124 IonicContact NH1-OE2 3.32Å; R121-E124 PolarHBondContact NH1-OE2 2.83Å; R121-E124 PolarHBondContact O-N 2.88Å; R121-E125 WeakPolarHBondContact O-CB 3.29Å; R121-E125 PolarHBondContact O-N 2.85Å
122Y87.1Confident84.2Confident109 Ų10976.8 Ų76.843%0.42736%0.357SS..Hα-helixtrans-64.1-47.7177.2-178.7-99.6000111.3Y118 M119 Y120 E125 Q126Y118-Y122 VanDerWaalsContact O-CB 3.27Å; Y118-Y122 WeakPolarHBondContact O-CB 3.48Å; Y118-Y122 PolarHBondContact O-N 3.03Å; M119-Y122 PolarHBondContact O-N 3.39Å; Y120-Y122 VanDerWaalsContact C-N 3.32Å; Y120-Y122 PolarHBondContact O-N 3.45Å; Y122-E125 PolarHBondContact O-N 3.33Å; Y122-Q126 HydrophobicContact CD1-CG 4.37Å; Y122-Q126 HydrophobicContact CE1-CG 4.01Å; Y122-Q126 WeakPolarHBondContact O-CG 3.39Å; Y122-Q126 PolarHBondContact O-N 2.73Å
123L88Confident83.7Confident0 Ų075.9 Ų75.90%035%0.349CS..Hα-helixtrans-63.5-41.2175.7-72.9172.5000111.7M119 Y120 Q126 V127 M143 I146 V155 C183 H184M119-L123 HydrophobicContact CG-CD1 4.22Å; M119-L123 WeakPolarHBondContact O-CB 3.32Å; M119-L123 WeakPolarHBondContact O-CG 3.44Å; M119-L123 PolarHBondContact O-N 3.45Å; Y120-L123 PolarHBondContact O-N 2.86Å; L123-Q126 PolarHBondContact O-N 3.28Å; L123-V127 WeakPolarHBondContact O-CG2 3.41Å; L123-V127 PolarHBondContact O-N 3.39Å; L123-M143 HydrophobicContact CD2-CE 4.15Å; L123-I146 HydrophobicContact CD2-CD1 4.41Å; L123-V155 HydrophobicContact CB-CG1 4.07Å; L123-V155 HydrophobicContact CB-CG2 4.2Å; L123-C183 HydrophobicContact CD1-CB 4.24Å; L123-H184 HydrophobicContact CD1-CB 4Å
124E90Very high82.9Confident53 Ų5378.3 Ų78.325%0.24835%0.348CS..Hα-helixtrans-57.6-48.2174.7179.8177.8-131.400111.1Y120 R121 Q126 V127 I128 V155Y120-E124 HydrophobicContact CD1-CB 4.47Å; Y120-E124 HydrophobicContact CE1-CB 4.31Å; Y120-E124 VanDerWaalsContact O-CB 3.27Å; Y120-E124 WeakPolarHBondContact O-CB 3.45Å; Y120-E124 PolarHBondContact O-N 3.45Å; R121-E124 VanDerWaalsContact CD-OE2 3.27Å; R121-E124 WeakPolarHBondContact CD-OE2 3.18Å; R121-E124 IonicContact CZ-OE2 2.67Å; R121-E124 IonicContact NE-OE2 3.26Å; R121-E124 IonicContact NH1-OE1 3.93Å; R121-E124 IonicContact NH1-OE2 3.32Å; R121-E124 PolarHBondContact NH1-OE2 2.83Å; R121-E124 PolarHBondContact O-N 2.88Å; E124-Q126 VanDerWaalsContact C-N 3.35Å; E124-Q126 PolarHBondContact O-N 3.48Å; E124-V127 PolarHBondContact O-N 3.36Å; E124-I128 HydrophobicContact CG-CD1 3.94Å; E124-I128 VanDerWaalsContact O-CG1 3.27Å; E124-I128 WeakPolarHBondContact O-CG1 3.37Å; E124-I128 PolarHBondContact O-N 3.31Å; E124-V155 HydrophobicContact CB-CG2 4.17Å
125E86.8Confident81.9Confident87 Ų8777.9 Ų77.941%0.40736%0.358SS..Hα-helixtrans-61.8-41.3175.6-172.1179.7-177.300112.1R121 Y122 I128 R129R121-E125 WeakPolarHBondContact O-CB 3.29Å; R121-E125 PolarHBondContact O-N 2.85Å; Y122-E125 PolarHBondContact O-N 3.33Å; E125-I128 PolarHBondContact O-N 2.87Å; E125-R129 WeakPolarHBondContact O-CB 3.39Å; E125-R129 VanDerWaalsContact O-CG 3.27Å; E125-R129 WeakPolarHBondContact O-CG 3.2Å; E125-R129 PolarHBondContact O-N 3.31Å; E125-R129 IonicContact OE1-CZ 3.49Å; E125-R129 VanDerWaalsContact OE1-CZ 3.32Å; E125-R129 IonicContact OE1-NE 2.79Å; E125-R129 PolarHBondContact OE1-NE 3.23Å; E125-R129 IonicContact OE1-NH2 3.69Å; E125-R129 PolarHBondContact OE1-NH2 3.49Å
126Q83.4Confident81.1Confident12 Ų1282.5 Ų82.56%0.05638%0.375CS..Hα-helixtrans-65.4-39.1175.9-65.9-43.3-61.700112.2Y122 L123 E124 Y130 S139 M143Y122-Q126 HydrophobicContact CD1-CG 4.37Å; Y122-Q126 HydrophobicContact CE1-CG 4.01Å; Y122-Q126 WeakPolarHBondContact O-CG 3.39Å; Y122-Q126 PolarHBondContact O-N 2.73Å; L123-Q126 PolarHBondContact O-N 3.28Å; E124-Q126 VanDerWaalsContact C-N 3.35Å; E124-Q126 PolarHBondContact O-N 3.48Å; Q126-Y130 VanDerWaalsContact O-CB 3.32Å; Q126-Y130 WeakPolarHBondContact O-CB 3.36Å; Q126-Y130 PolarHBondContact O-N 3.14Å; Q126-S139 VanDerWaalsContact OE1-CB 3.23Å; Q126-S139 PolarHBondContact OE1-OG 3.37Å; Q126-M143 HydrophobicContact CB-CE 3.48Å; Q126-M143 VanDerWaalsContact CB-CE 3.48Å
127V85.3Confident80.4Confident4 Ų483.9 Ų83.92%0.02438%0.382CS..Hα-helixtrans-67.5-41175.6172.80000111.1L123 E124 Y130 R131 M143 V155 D160 Y161L123-V127 WeakPolarHBondContact O-CG2 3.41Å; L123-V127 PolarHBondContact O-N 3.39Å; E124-V127 PolarHBondContact O-N 3.36Å; V127-Y130 VanDerWaalsContact O-CB 3.3Å; V127-Y130 WeakPolarHBondContact O-CB 3.43Å; V127-Y130 PolarHBondContact O-N 2.89Å; V127-R131 WeakPolarHBondContact O-CG 3.36Å; V127-R131 PolarHBondContact O-N 3.41Å; V127-M143 HydrophobicContact CG2-CE 3.49Å; V127-M143 VanDerWaalsContact CG2-CE 3.49Å; V127-M143 HydrophobicContact CG2-SD 4.3Å; V127-V155 HydrophobicContact CB-CG2 4.17Å; V127-V155 HydrophobicContact CG2-CG2 3.71Å; V127-D160 HydrophobicContact CG1-CB 4.17Å; V127-Y161 HydrophobicContact CG1-CD1 4.09Å; V127-Y161 HydrophobicContact CG1-CE1 3.99Å
128I85.1Confident79.4Confident74 Ų7480.8 Ų80.838%0.37937%0.368SS..Hα-helixtrans-61-49.7175.2-69.1165.6000110.1E124 E125 Y130 R131 E132E124-I128 HydrophobicContact CG-CD1 3.94Å; E124-I128 VanDerWaalsContact O-CG1 3.27Å; E124-I128 WeakPolarHBondContact O-CG1 3.37Å; E124-I128 PolarHBondContact O-N 3.31Å; E125-I128 PolarHBondContact O-N 2.87Å; I128-Y130 PolarHBondContact O-N 3.29Å; I128-R131 WeakPolarHBondContact O-CA 3.47Å; I128-R131 WeakPolarHBondContact O-CB 3.47Å; I128-R131 PolarHBondContact O-N 2.98Å; I128-E132 HydrophobicContact CG2-CG 4.5Å; I128-E132 PolarHBondContact O-N 2.9Å
129R82Confident78.5Confident112 Ų11275.4 Ų75.442%0.42335%0.35SS..Hα-helixtrans-60-36175.8-71.6175.3-177.5-142.73.4112.2E125 R131 E132 T133E125-R129 WeakPolarHBondContact O-CB 3.39Å; E125-R129 VanDerWaalsContact O-CG 3.27Å; E125-R129 WeakPolarHBondContact O-CG 3.2Å; E125-R129 PolarHBondContact O-N 3.31Å; E125-R129 IonicContact OE1-CZ 3.49Å; E125-R129 VanDerWaalsContact OE1-CZ 3.32Å; E125-R129 IonicContact OE1-NE 2.79Å; E125-R129 PolarHBondContact OE1-NE 3.23Å; E125-R129 IonicContact OE1-NH2 3.69Å; E125-R129 PolarHBondContact OE1-NH2 3.49Å; R129-R131 VanDerWaalsContact C-N 3.31Å; R129-R131 PolarHBondContact O-N 3.17Å; R129-E132 PolarHBondContact O-N 3.37Å; R129-T133 WeakPolarHBondContact O-CB 3.4Å; R129-T133 PolarHBondContact O-N 2.94Å; R129-T133 PolarHBondContact O-OG1 2.82Å
130Y80.7Confident78Confident37 Ų3773.1 Ų73.115%0.14534%0.339CS..Hα-helixtrans-61.2-39.8173.6-164.8-68.8000111.7Q126 V127 I128 T140 M143 D144 Y161 P167Q126-Y130 VanDerWaalsContact O-CB 3.32Å; Q126-Y130 WeakPolarHBondContact O-CB 3.36Å; Q126-Y130 PolarHBondContact O-N 3.14Å; V127-Y130 VanDerWaalsContact O-CB 3.3Å; V127-Y130 WeakPolarHBondContact O-CB 3.43Å; V127-Y130 PolarHBondContact O-N 2.89Å; I128-Y130 PolarHBondContact O-N 3.29Å; Y130-T140 VanDerWaalsContact CD2-CA 3.5Å; Y130-T140 HydrophobicContact CD2-CG2 3.75Å; Y130-T140 VanDerWaalsContact CE2-CB 3.47Å; Y130-T140 HydrophobicContact CE2-CG2 3.87Å; Y130-T140 HydrophobicContact CG-CG2 4.06Å; Y130-M143 HydrophobicContact CD2-CB 3.94Å; Y130-M143 HydrophobicContact CD2-CG 4.18Å; Y130-M143 HydrophobicContact CE2-CB 4.4Å; Y130-D144 PolarHBondContact OH-OD1 3.06Å; Y130-Y161 HydrophobicContact CD1-CD1 4.18Å; Y130-Y161 AromaticContact CD1-CE1 3.6Å; Y130-Y161 HydrophobicContact CD1-CE1 3.6Å; Y130-Y161 HydrophobicContact CE1-CE1 4.21Å; Y130-Y161 AromaticContact CG-CE1 3.85Å; Y130-Y161 HydrophobicContact CG-CE1 3.85Å; Y130-P167 HydrophobicContact CE1-CB 3.91Å; Y130-P167 HydrophobicContact CE1-CG 4.31Å; Y130-P167 HydrophobicContact CE2-CB 4.32Å; Y130-P167 HydrophobicContact CE2-CG 4.49Å; Y130-P167 WeakPolarHBondContact OH-CB 3.26Å
131R78.4Confident77.3Confident87 Ų8773.5 Ų73.533%0.32834%0.342SS..Hα-helixtrans-74-30178.5-68.6175.170.8176.8-4.3113V127 I128 R129 D160 Y161 R164V127-R131 WeakPolarHBondContact O-CG 3.36Å; V127-R131 PolarHBondContact O-N 3.41Å; I128-R131 WeakPolarHBondContact O-CA 3.47Å; I128-R131 WeakPolarHBondContact O-CB 3.47Å; I128-R131 PolarHBondContact O-N 2.98Å; R129-R131 VanDerWaalsContact C-N 3.31Å; R129-R131 PolarHBondContact O-N 3.17Å; R131-D160 PolarHBondContact NH1-O 2.87Å; R131-Y161 HydrophobicContact CG-CD1 4.2Å; R131-Y161 PolarHBondContact NE-O 2.85Å; R131-R164 PolarHBondContact O-NE 3.33Å; R131-R164 PolarHBondContact O-NH1 2.98Å; R131-R164 PolarHBondContact O-NH2 3.33Å; R131-R164 VanDerWaalsContact O-NH2 3.13Å
132E77.4Confident76.8Confident147 Ų14768.9 Ų68.969%0.68733%0.327SS*.Hα-helixtrans-87.9-30.5-176.7-70.3176.8178.900112.3I128 R129I128-E132 HydrophobicContact CG2-CG 4.5Å; I128-E132 PolarHBondContact O-N 2.9Å; R129-E132 PolarHBondContact O-N 3.37Å
133T69Low76.6Confident44 Ų4463.7 Ų63.727%0.2731%0.307SS..SBendtrans-101160.3-170-28.40000114.1R129 N137R129-T133 WeakPolarHBondContact O-CB 3.4Å; R129-T133 PolarHBondContact O-N 2.94Å; R129-T133 PolarHBondContact O-OG1 2.82Å; T133-N137 HydrophobicContact CG2-CB 3.99Å; T133-N137 VanDerWaalsContact CG2-CG 3.46Å; T133-N137 WeakPolarHBondContact CG2-ND2 3.36Å
134E63.3Low76.3Confident157 Ų15765.4 Ų65.473%0.73432%0.316SS*.  trans-61.9152.3173.8-72-168.7178.300112.2E136 N137E134-E136 PolarHBondContact O-N 3.06Å; E134-N137 PolarHBondContact O-N 2.9Å
135P61.7Low75.9Confident107 Ų10765.4 Ų65.470%0.69532%0.315SS*.THydrogen-bonded Turntrans-59.3-4.2-167.318.5-31.4000117T140P135-T140 PolarHBondContact O-OG1 3.02Å
136E61.2Low75.9Confident159 Ų15962.1 Ų62.174%0.74330%0.3SS*.THydrogen-bonded Turntrans-115.87.6-171.9-62-167.7162.200115.5E134E134-E136 PolarHBondContact O-N 3.06Å
137N68Low76Confident81 Ų8161.5 Ų61.543%0.43330%0.297SS..SBendtrans-70.7152.7179.1-101.321000113.8T133 E134 S139 T140 K141T133-N137 HydrophobicContact CG2-CB 3.99Å; T133-N137 VanDerWaalsContact CG2-CG 3.46Å; T133-N137 WeakPolarHBondContact CG2-ND2 3.36Å; E134-N137 PolarHBondContact O-N 2.9Å; N137-S139 PolarHBondContact O-N 2.88Å; N137-S139 VanDerWaalsContact O-N 3.09Å; N137-T140 HydrophobicContact CB-CG2 4.46Å; N137-T140 PolarHBondContact N-OG1 3.31Å; N137-T140 WeakPolarHBondContact O-CA 3.41Å; N137-T140 PolarHBondContact O-N 2.82Å; N137-T140 PolarHBondContact O-OG1 2.9Å; N137-K141 PolarHBondContact O-N 3.1Å
138E66.6Low75.9Confident43 Ų4367.5 Ų67.520%0.20132%0.323CS..Hα-helixtrans-51.9-37.6179.7-70.2-75.5123.600113.3A53 V54 H55 L142A53-E138 VanDerWaalsContact CA-OE2 3.26Å; A53-E138 WeakPolarHBondContact CA-OE2 3.48Å; V54-E138 PolarHBondContact N-OE2 3.31Å; H55-E138 HydrophobicContact CB-CG 4.23Å; H55-E138 IonicContact CD2-OE1 3.74Å; H55-E138 PolarHBondContact CD2-OE1 3.35Å; H55-E138 IonicContact CG-OE1 3.93Å; H55-E138 PolarHBondContact N-OE2 2.86Å; E138-L142 WeakPolarHBondContact O-CB 3.45Å; E138-L142 PolarHBondContact O-N 2.88Å
139S67Low75.8Confident20 Ų2070.4 Ų70.414%0.1433%0.333CS..Hα-helixtrans-65-35.4174.7-71.70000113.2Q126 N137 M143Q126-S139 VanDerWaalsContact OE1-CB 3.23Å; Q126-S139 PolarHBondContact OE1-OG 3.37Å; N137-S139 PolarHBondContact O-N 2.88Å; N137-S139 VanDerWaalsContact O-N 3.09Å; S139-M143 PolarHBondContact O-N 2.93Å; S139-M143 VanDerWaalsContact O-N 3.16Å
140T74.8Confident75.9Confident1 Ų169.2 Ų69.21%0.00633%0.331CS..Hα-helixtrans-70.4-44.8178.765.30000110.7Y130 P135 N137 L142 M143 D144Y130-T140 VanDerWaalsContact CD2-CA 3.5Å; Y130-T140 HydrophobicContact CD2-CG2 3.75Å; Y130-T140 VanDerWaalsContact CE2-CB 3.47Å; Y130-T140 HydrophobicContact CE2-CG2 3.87Å; Y130-T140 HydrophobicContact CG-CG2 4.06Å; P135-T140 PolarHBondContact O-OG1 3.02Å; N137-T140 HydrophobicContact CB-CG2 4.46Å; N137-T140 PolarHBondContact N-OG1 3.31Å; N137-T140 WeakPolarHBondContact O-CA 3.41Å; N137-T140 PolarHBondContact O-N 2.82Å; N137-T140 PolarHBondContact O-OG1 2.9Å; T140-L142 PolarHBondContact O-N 2.78Å; T140-M143 PolarHBondContact O-N 2.54Å; T140-D144 WeakPolarHBondContact O-CB 3.38Å; T140-D144 PolarHBondContact O-N 3.05Å
141K77.2Confident76.1Confident77 Ų7768.3 Ų68.334%0.33533%0.333SS..Hα-helixtrans-59.5-46.3175.7-63.4-178.7-176.91740111.5P52 N137 M143 D144 F145P52-K141 VanDerWaalsContact CB-C 3.46Å; P52-K141 HydrophobicContact CB-CB 3.95Å; P52-K141 WeakPolarHBondContact CB-O 3.42Å; P52-K141 WeakPolarHBondContact O-CB 3.5Å; P52-K141 WeakPolarHBondContact O-CD 3.42Å; N137-K141 PolarHBondContact O-N 3.1Å; K141-M143 VanDerWaalsContact C-N 3.34Å; K141-M143 PolarHBondContact O-N 3.26Å; K141-D144 PolarHBondContact O-N 3.36Å; K141-F145 PolarHBondContact O-N 3.13Å
142L79.3Confident76.6Confident35 Ų3564.2 Ų64.218%0.18332%0.318CS..Hα-helixtrans-58.8-47179.918062.3000111.5P52 A53 E138 T140 F145 I146P52-L142 HydrophobicContact CG-CB 4.43Å; P52-L142 HydrophobicContact CG-CD1 3.88Å; A53-L142 HydrophobicContact CB-CD1 4.43Å; E138-L142 WeakPolarHBondContact O-CB 3.45Å; E138-L142 PolarHBondContact O-N 2.88Å; T140-L142 PolarHBondContact O-N 2.78Å; L142-F145 PolarHBondContact O-N 2.92Å; L142-I146 HydrophobicContact CD1-CD1 4.21Å; L142-I146 HydrophobicContact CG-CD1 4.02Å; L142-I146 VanDerWaalsContact O-CG1 3.3Å; L142-I146 WeakPolarHBondContact O-CG1 3.33Å; L142-I146 PolarHBondContact O-N 2.87Å
143M83.1Confident77.2Confident1 Ų157.2 Ų57.21%0.00529%0.285CS..Hα-helixtrans-63.9-43.9177.5-173.259.970.700111.6L123 Q126 V127 Y130 S139 T140 K141 F145 I146 Q147 Y161L123-M143 HydrophobicContact CD2-CE 4.15Å; Q126-M143 HydrophobicContact CB-CE 3.48Å; Q126-M143 VanDerWaalsContact CB-CE 3.48Å; V127-M143 HydrophobicContact CG2-CE 3.49Å; V127-M143 VanDerWaalsContact CG2-CE 3.49Å; V127-M143 HydrophobicContact CG2-SD 4.3Å; Y130-M143 HydrophobicContact CD2-CB 3.94Å; Y130-M143 HydrophobicContact CD2-CG 4.18Å; Y130-M143 HydrophobicContact CE2-CB 4.4Å; S139-M143 PolarHBondContact O-N 2.93Å; S139-M143 VanDerWaalsContact O-N 3.16Å; T140-M143 PolarHBondContact O-N 2.54Å; K141-M143 VanDerWaalsContact C-N 3.34Å; K141-M143 PolarHBondContact O-N 3.26Å; M143-F145 VanDerWaalsContact C-N 3.28Å; M143-F145 PolarHBondContact O-N 3.38Å; M143-I146 PolarHBondContact O-N 3.32Å; M143-Q147 HydrophobicContact CG-CG 4.34Å; M143-Q147 WeakPolarHBondContact O-CB 3.19Å; M143-Q147 VanDerWaalsContact O-CG 3.24Å; M143-Q147 WeakPolarHBondContact O-CG 3.5Å; M143-Q147 PolarHBondContact O-N 3.44Å; M143-Q147 HydrophobicContact SD-CG 4.18Å; M143-Y161 WeakPolarHBondContact CG-OH 3.47Å
144D82.8Confident78.1Confident35 Ų3555.1 Ų55.119%0.18727%0.272CS..Hα-helixtrans-57.8-40.4177.8-89.15.4000112.9Y130 T140 K141 K148 S169Y130-D144 PolarHBondContact OH-OD1 3.06Å; T140-D144 WeakPolarHBondContact O-CB 3.38Å; T140-D144 PolarHBondContact O-N 3.05Å; K141-D144 PolarHBondContact O-N 3.36Å; D144-K148 WeakPolarHBondContact O-CB 3.2Å; D144-K148 VanDerWaalsContact O-CG 3.23Å; D144-K148 WeakPolarHBondContact O-CG 3.44Å; D144-K148 PolarHBondContact O-N 3.1Å; D144-S169 VanDerWaalsContact OD1-CB 3.23Å; D144-S169 WeakPolarHBondContact OD1-CB 3.25Å; D144-S169 PolarHBondContact OD1-OG 3.49Å
145F81.7Confident79.3Confident53 Ų5347.8 Ų47.823%0.23224%0.238CC..Hα-helixtrans-69-45.4175.3170.9-97.8000112.2A49 H50 P52 K141 L142 M143 Q147 K148 K149A49-F145 WeakPolarHBondContact O-CD2 3.37Å; A49-F145 WeakPolarHBondContact O-CE2 3.49Å; H50-F145 WeakPolarHBondContact O-CE2 3.48Å; H50-F145 WeakPolarHBondContact O-CZ 3.32Å; P52-F145 HydrophobicContact CB-CB 3.57Å; P52-F145 HydrophobicContact CB-CG 4.18Å; P52-F145 HydrophobicContact CG-CB 3.35Å; P52-F145 HydrophobicContact CG-CD1 3.79Å; P52-F145 HydrophobicContact CG-CD2 4.34Å; P52-F145 HydrophobicContact CG-CG 3.57Å; K141-F145 PolarHBondContact O-N 3.13Å; L142-F145 PolarHBondContact O-N 2.92Å; M143-F145 VanDerWaalsContact C-N 3.28Å; M143-F145 PolarHBondContact O-N 3.38Å; F145-Q147 VanDerWaalsContact C-N 3.25Å; F145-Q147 PolarHBondContact O-N 3.19Å; F145-K148 PolarHBondContact O-N 3.21Å; F145-K149 HydrophobicContact CE1-CB 4.41Å; F145-K149 HydrophobicContact CE1-CG 4.5Å; F145-K149 HydrophobicContact CE2-CB 4.44Å; F145-K149 HydrophobicContact CZ-CB 4.32Å; F145-K149 HydrophobicContact CZ-CD 4.47Å; F145-K149 HydrophobicContact CZ-CG 4.21Å; F145-K149 WeakPolarHBondContact O-CB 3.33Å; F145-K149 PolarHBondContact O-N 2.68Å
146I85Confident80.7Confident18 Ų1845.9 Ų45.99%0.09222%0.224CC..Hα-helixtrans-56-47.6177.2-70.6167.5000109.3L123 L142 M143 K149 F150 C183 L187L123-I146 HydrophobicContact CD2-CD1 4.41Å; L142-I146 HydrophobicContact CD1-CD1 4.21Å; L142-I146 HydrophobicContact CG-CD1 4.02Å; L142-I146 VanDerWaalsContact O-CG1 3.3Å; L142-I146 WeakPolarHBondContact O-CG1 3.33Å; L142-I146 PolarHBondContact O-N 2.87Å; M143-I146 PolarHBondContact O-N 3.32Å; I146-K149 PolarHBondContact O-N 3.28Å; I146-F150 HydrophobicContact CG2-CD2 4.2Å; I146-F150 WeakPolarHBondContact O-CB 3.5Å; I146-F150 WeakPolarHBondContact O-CD2 3.26Å; I146-F150 PolarHBondContact O-N 2.84Å; I146-C183 HydrophobicContact CG2-CB 4.23Å; I146-L187 HydrophobicContact CG2-CD1 3.76Å; I146-L187 HydrophobicContact CG2-CD2 4.44Å
147Q86.8Confident81.8Confident0 Ų040 Ų400%020%0.201CC..Hα-helixtrans-64.9-44.5-179-70.3177.2-18.300112.7M143 F145 G151 C152 G154 Y161 S169 C170M143-Q147 HydrophobicContact CG-CG 4.34Å; M143-Q147 WeakPolarHBondContact O-CB 3.19Å; M143-Q147 VanDerWaalsContact O-CG 3.24Å; M143-Q147 WeakPolarHBondContact O-CG 3.5Å; M143-Q147 PolarHBondContact O-N 3.44Å; M143-Q147 HydrophobicContact SD-CG 4.18Å; F145-Q147 VanDerWaalsContact C-N 3.25Å; F145-Q147 PolarHBondContact O-N 3.19Å; Q147-G151 VanDerWaalsContact O-CA 3.22Å; Q147-G151 WeakPolarHBondContact O-CA 3.45Å; Q147-G151 PolarHBondContact O-N 3.46Å; Q147-C152 WeakPolarHBondContact CA-O 3.43Å; Q147-C152 VanDerWaalsContact CB-O 3.3Å; Q147-C152 WeakPolarHBondContact CB-O 3.34Å; Q147-C152 WeakPolarHBondContact CG-O 3.47Å; Q147-C152 PolarHBondContact O-N 3.47Å; Q147-G154 VanDerWaalsContact NE2-N 3.15Å; Q147-Y161 PolarHBondContact NE2-OH 2.94Å; Q147-S169 PolarHBondContact OE1-OG 3.12Å; Q147-C170 VanDerWaalsContact CD-SG 3.56Å; Q147-C170 PolarHBondContact OE1-SG 3.38Å; Q147-C170 VanDerWaalsContact OE1-SG 3.37Å
148K82.8Confident82.6Confident129 Ų12937.9 Ų37.956%0.56120%0.195SC*.Hα-helixtrans-67.7-39.6175.8-74.1172.1-177.1169.90112.7D144 F145D144-K148 WeakPolarHBondContact O-CB 3.2Å; D144-K148 VanDerWaalsContact O-CG 3.23Å; D144-K148 WeakPolarHBondContact O-CG 3.44Å; D144-K148 PolarHBondContact O-N 3.1Å; F145-K148 PolarHBondContact O-N 3.21Å
149K83.3Confident83.4Confident136 Ų13639.3 Ų39.359%0.59121%0.214SC*.Hα-helixtrans-73.6-41.7-174.6-176.764.3178.8-174.90112F145 I146F145-K149 HydrophobicContact CE1-CB 4.41Å; F145-K149 HydrophobicContact CE1-CG 4.5Å; F145-K149 HydrophobicContact CE2-CB 4.44Å; F145-K149 HydrophobicContact CZ-CB 4.32Å; F145-K149 HydrophobicContact CZ-CD 4.47Å; F145-K149 HydrophobicContact CZ-CG 4.21Å; F145-K149 WeakPolarHBondContact O-CB 3.33Å; F145-K149 PolarHBondContact O-N 2.68Å; I146-K149 PolarHBondContact O-N 3.28Å
150F85Confident84.3Confident86 Ų8640.2 Ų40.238%0.37722%0.217SC..Hα-helixtrans-100.1-7.5-177-68-78.2000113.6I146 C152 V186 L187 A190I146-F150 HydrophobicContact CG2-CD2 4.2Å; I146-F150 WeakPolarHBondContact O-CB 3.5Å; I146-F150 WeakPolarHBondContact O-CD2 3.26Å; I146-F150 PolarHBondContact O-N 2.84Å; F150-C152 VanDerWaalsContact C-N 3.32Å; F150-C152 PolarHBondContact O-N 2.92Å; F150-V186 HydrophobicContact CB-CG1 3.88Å; F150-V186 HydrophobicContact CD1-CG1 4.43Å; F150-L187 HydrophobicContact CB-CD1 4.38Å; F150-L187 HydrophobicContact CD2-CD1 3.87Å; F150-L187 HydrophobicContact CE2-CD1 4.3Å; F150-L187 HydrophobicContact CG-CD1 4.04Å; F150-A190 HydrophobicContact CD1-CB 4.12Å; F150-A190 HydrophobicContact CE1-CB 3.74Å
151G84.4Confident84.7Confident19 Ų1940.3 Ų40.320%0.19622%0.217CC..THydrogen-bonded Turntrans65.335179.700000113.1Q147 S178Q147-G151 VanDerWaalsContact O-CA 3.22Å; Q147-G151 WeakPolarHBondContact O-CA 3.45Å; Q147-G151 PolarHBondContact O-N 3.46Å; G151-S178 VanDerWaalsContact O-O 3.05Å
152C88.6Confident84.9Confident0 Ų038.8 Ų38.80%022%0.224CC..  trans-115.6166-178.462.50000110.8Q147 F150 C183 V186Q147-C152 WeakPolarHBondContact CA-O 3.43Å; Q147-C152 VanDerWaalsContact CB-O 3.3Å; Q147-C152 WeakPolarHBondContact CB-O 3.34Å; Q147-C152 WeakPolarHBondContact CG-O 3.47Å; Q147-C152 PolarHBondContact O-N 3.47Å; F150-C152 VanDerWaalsContact C-N 3.32Å; F150-C152 PolarHBondContact O-N 2.92Å; C152-C183 VanDerWaalsContact C-SG 3.52Å; C152-C183 HydrophobicContact CB-CB 3.87Å; C152-C183 WeakPolarHBondContact CB-SG 2.93Å; C152-C183 WeakPolarHBondContact SG-CA 3.42Å; C152-C183 WeakPolarHBondContact SG-CB 3.22Å; C152-C183 CovalentContact SG-SG 2.04Å; C152-C183 PolarHBondContact SG-SG 2.98Å; C152-V186 HydrophobicContact CB-CB 4.14Å; C152-V186 HydrophobicContact CB-CG2 3.99Å
153C89.2Confident84.7Confident0 Ų043.8 Ų43.80%026%0.256CS..  trans-140.6136.6174.8-169.20000112.2S157 A158 C170 Y179 R181C153-S157 CarbonylContact O-C 3.24Å; C153-S157 VanDerWaalsContact O-C 3.24Å; C153-S157 WeakPolarHBondContact O-CA 3.06Å; C153-A158 HydrophobicContact CB-CB 4.27Å; C153-A158 VanDerWaalsContact SG-CB 3.6Å; C153-C170 HydrophobicContact CB-CB 3.82Å; C153-C170 WeakPolarHBondContact CB-SG 3.5Å; C153-C170 WeakPolarHBondContact SG-CB 3.4Å; C153-C170 CovalentContact SG-SG 2.04Å; C153-C170 PolarHBondContact SG-SG 3.48Å; C153-Y179 HydrophobicContact CB-CD1 4.08Å; C153-R181 PolarHBondContact N-O 3.32Å
154G87.6Confident84.2Confident0 Ų050.1 Ų50.10%028%0.28CS..SBendtrans63.1-164.9-176.900000113.6Q147 S157 C183Q147-G154 VanDerWaalsContact NE2-N 3.15Å; G154-S157 WeakPolarHBondContact CA-O 3.42Å; G154-C183 WeakPolarHBondContact O-CB 3.37Å; G154-C183 PolarHBondContact O-N 3.06Å; G154-C183 PolarHBondContact O-SG 3.36Å; G154-C183 VanDerWaalsContact O-SG 3.4Å
155V90.2Very high83.8Confident4 Ų453.7 Ų53.72%0.02431%0.307CS..SBendtrans-79.8-56.6176.2-170.80000109.6Y120 L123 E124 V127 D160 G182 C183 H184Y120-V155 HydrophobicContact CD1-CG1 4.44Å; Y120-V155 HydrophobicContact CD2-CG1 3.58Å; Y120-V155 HydrophobicContact CE1-CG1 4.38Å; Y120-V155 HydrophobicContact CE2-CG1 3.53Å; Y120-V155 HydrophobicContact CG-CG1 4.05Å; L123-V155 HydrophobicContact CB-CG1 4.07Å; L123-V155 HydrophobicContact CB-CG2 4.2Å; E124-V155 HydrophobicContact CB-CG2 4.17Å; V127-V155 HydrophobicContact CB-CG2 4.17Å; V127-V155 HydrophobicContact CG2-CG2 3.71Å; V155-D160 WeakPolarHBondContact CA-OD2 3.42Å; V155-D160 WeakPolarHBondContact CB-OD2 3.07Å; V155-D160 PolarHBondContact N-OD2 2.99Å; V155-G182 CarbonylContact O-C 3.25Å; V155-G182 VanDerWaalsContact O-C 3.25Å; V155-G182 WeakPolarHBondContact O-CA 3.45Å; V155-C183 PolarHBondContact O-N 2.79Å; V155-C183 VanDerWaalsContact O-N 3.15Å; V155-H184 HydrophobicContact CG1-CB 4.14Å; V155-H184 WeakPolarHBondContact O-CB 3.48Å; V155-H184 PolarHBondContact O-N 3.42Å
156T89.2Confident83.6Confident66 Ų6653.7 Ų53.741%0.40531%0.313SS..SBendtrans-107.4-33.4177.667.30000111.9Y120 D160 G182Y120-T156 HydrophobicContact CE2-CG2 3.57Å; T156-D160 PolarHBondContact N-OD2 2.78Å; T156-D160 PolarHBondContact OG1-OD1 3.29Å; T156-D160 PolarHBondContact OG1-OD2 3.29Å; T156-G182 WeakPolarHBondContact O-CA 3.4Å; T156-G182 PolarHBondContact O-N 3.39Å
157S86Confident83.3Confident36 Ų3653.2 Ų53.225%0.25231%0.311SS..SBendtrans-166.7171.5179.469.20000112C153 G154 A159 D160C153-S157 CarbonylContact O-C 3.24Å; C153-S157 VanDerWaalsContact O-C 3.24Å; C153-S157 WeakPolarHBondContact O-CA 3.06Å; G154-S157 WeakPolarHBondContact CA-O 3.42Å; S157-A159 PolarHBondContact O-N 3.41Å; S157-A159 WeakPolarHBondContact OG-CB 3.33Å; S157-A159 PolarHBondContact OG-N 2.82Å; S157-D160 PolarHBondContact N-OD2 3.18Å; S157-D160 WeakPolarHBondContact O-CB 3.01Å; S157-D160 VanDerWaalsContact O-CG 3.28Å; S157-D160 PolarHBondContact O-N 2.85Å; S157-D160 VanDerWaalsContact O-N 3.1Å
158A84.1Confident83Confident36 Ų3661.5 Ų61.530%0.29835%0.347SS..G310 helixtrans-57.5-19172.400000114.1C153 D160 P166C153-A158 HydrophobicContact CB-CB 4.27Å; C153-A158 VanDerWaalsContact SG-CB 3.6Å; A158-D160 PolarHBondContact O-N 3.01Å; A158-P166 HydrophobicContact CB-CB 4.37Å
159A84.2Confident82.8Confident74 Ų7455.4 Ų55.461%0.61232%0.32SS*.G310 helixtrans-69.6-17177.800000113.4S157 Y161 G162S157-A159 PolarHBondContact O-N 3.41Å; S157-A159 WeakPolarHBondContact OG-CB 3.33Å; S157-A159 PolarHBondContact OG-N 2.82Å; A159-Y161 PolarHBondContact O-N 2.7Å; A159-G162 WeakPolarHBondContact O-CA 3.06Å; A159-G162 PolarHBondContact O-N 3.39Å
160D85.7Confident82.6Confident39 Ų3949.2 Ų49.221%0.20930%0.295CS..G310 helixtrans-65.1-21179.9-60.6-36.3000112.8V127 R131 V155 T156 S157 A158 G162V127-D160 HydrophobicContact CG1-CB 4.17Å; R131-D160 PolarHBondContact NH1-O 2.87Å; V155-D160 WeakPolarHBondContact CA-OD2 3.42Å; V155-D160 WeakPolarHBondContact CB-OD2 3.07Å; V155-D160 PolarHBondContact N-OD2 2.99Å; T156-D160 PolarHBondContact N-OD2 2.78Å; T156-D160 PolarHBondContact OG1-OD1 3.29Å; T156-D160 PolarHBondContact OG1-OD2 3.29Å; S157-D160 PolarHBondContact N-OD2 3.18Å; S157-D160 WeakPolarHBondContact O-CB 3.01Å; S157-D160 VanDerWaalsContact O-CG 3.28Å; S157-D160 PolarHBondContact O-N 2.85Å; S157-D160 VanDerWaalsContact O-N 3.1Å; A158-D160 PolarHBondContact O-N 3.01Å; D160-G162 PolarHBondContact O-N 2.77Å
161Y83Confident81.9Confident2 Ų249.9 Ų49.91%0.00831%0.306CS..G310 helixtrans-70.8-7.8171.1-70.8-71.5000113.6V127 Y130 R131 M143 Q147 A159 T163 R164 P166 P167V127-Y161 HydrophobicContact CG1-CD1 4.09Å; V127-Y161 HydrophobicContact CG1-CE1 3.99Å; Y130-Y161 HydrophobicContact CD1-CD1 4.18Å; Y130-Y161 AromaticContact CD1-CE1 3.6Å; Y130-Y161 HydrophobicContact CD1-CE1 3.6Å; Y130-Y161 HydrophobicContact CE1-CE1 4.21Å; Y130-Y161 AromaticContact CG-CE1 3.85Å; Y130-Y161 HydrophobicContact CG-CE1 3.85Å; R131-Y161 HydrophobicContact CG-CD1 4.2Å; R131-Y161 PolarHBondContact NE-O 2.85Å; M143-Y161 WeakPolarHBondContact CG-OH 3.47Å; Q147-Y161 PolarHBondContact NE2-OH 2.94Å; A159-Y161 PolarHBondContact O-N 2.7Å; Y161-T163 PolarHBondContact O-N 2.89Å; Y161-R164 PolarHBondContact O-N 2.94Å; Y161-P166 HydrophobicContact CD2-CB 4.08Å; Y161-P167 HydrophobicContact CE1-CG 4.28Å; Y161-P167 VanDerWaalsContact CE2-CD 3.42Å; Y161-P167 HydrophobicContact CE2-CG 4.04Å; Y161-P167 VanDerWaalsContact CZ-CD 3.47Å
162G81.5Confident80.6Confident45 Ų4552.6 Ų52.646%0.46432%0.318SS..THydrogen-bonded Turntrans61.6-122.4175.600000112.3A159 D160 R164A159-G162 WeakPolarHBondContact O-CA 3.06Å; A159-G162 PolarHBondContact O-N 3.39Å; D160-G162 PolarHBondContact O-N 2.77Å; G162-R164 VanDerWaalsContact C-N 3.35Å
163T74Confident78.9Confident141 Ų14158.7 Ų58.787%0.86536%0.356SS*.THydrogen-bonded Turntrans-79.6-13.7-177.952.70000114Y161Y161-T163 PolarHBondContact O-N 2.89Å
164R72.9Confident77Confident133 Ų13366.3 Ų66.350%0.50239%0.389SS..SBendtrans-82.9139.7174.5-74.2-169.5175.8-171.14.1109.4R131 Y161 G162R131-R164 PolarHBondContact O-NE 3.33Å; R131-R164 PolarHBondContact O-NH1 2.98Å; R131-R164 PolarHBondContact O-NH2 3.33Å; R131-R164 VanDerWaalsContact O-NH2 3.13Å; Y161-R164 PolarHBondContact O-N 2.94Å; G162-R164 VanDerWaalsContact C-N 3.35Å
165S74Confident75.2Confident110 Ų11070.2 Ų70.277%0.76942%0.416SS*.PPolyproline II helixtrans-58.2138.5171.3-54.70000109.7
166P77.7Confident73.4Confident53 Ų5378.4 Ų78.434%0.34446%0.458SS..PPolyproline II helixtrans-58.6149.5177.425.1-33.7000110A158 Y161 C170A158-P166 HydrophobicContact CB-CB 4.37Å; Y161-P166 HydrophobicContact CD2-CB 4.08Å; P166-C170 HydrophobicContact CB-CB 4.19Å
167P79.9Confident71.6Confident9 Ų983.5 Ų83.56%0.05848%0.477CS..PPolyproline II helixtrans-65.4160.6-174.529.8-37.6000112.4Y130 Y161 S169 C170 T171Y130-P167 HydrophobicContact CE1-CB 3.91Å; Y130-P167 HydrophobicContact CE1-CG 4.31Å; Y130-P167 HydrophobicContact CE2-CB 4.32Å; Y130-P167 HydrophobicContact CE2-CG 4.49Å; Y130-P167 WeakPolarHBondContact OH-CB 3.26Å; Y161-P167 HydrophobicContact CE1-CG 4.28Å; Y161-P167 VanDerWaalsContact CE2-CD 3.42Å; Y161-P167 HydrophobicContact CE2-CG 4.04Å; Y161-P167 VanDerWaalsContact CZ-CD 3.47Å; P167-S169 WeakPolarHBondContact CB-OG 3.34Å; P167-S169 VanDerWaalsContact CG-OG 3.25Å; P167-S169 WeakPolarHBondContact CG-OG 3.2Å; P167-S169 PolarHBondContact O-N 3.05Å; P167-S169 VanDerWaalsContact O-N 3.13Å; P167-C170 WeakPolarHBondContact O-CB 3.38Å; P167-C170 PolarHBondContact O-N 3.44Å; P167-T171 PolarHBondContact O-OG1 2.04Å
168K79.1Confident69.9Low174 Ų17484.3 Ų84.376%0.75748%0.483SS*.G310 helixtrans-57.7-29178.5-70.6-176.6-179.6176.70112.1C170 T171 V172K168-C170 PolarHBondContact O-N 3.36Å; K168-T171 VanDerWaalsContact CA-OG1 3.31Å; K168-T171 WeakPolarHBondContact CA-OG1 3.2Å; K168-T171 PolarHBondContact O-N 3.17Å; K168-T171 PolarHBondContact O-OG1 3.03Å; K168-V172 WeakPolarHBondContact O-CG2 3.23Å
169S78.9Confident68.6Low0 Ų084.5 Ų84.50%048%0.476CS..G310 helixtrans-57.7-27.7172.545.70000114D144 Q147 P167D144-S169 VanDerWaalsContact OD1-CB 3.23Å; D144-S169 WeakPolarHBondContact OD1-CB 3.25Å; D144-S169 PolarHBondContact OD1-OG 3.49Å; Q147-S169 PolarHBondContact OE1-OG 3.12Å; P167-S169 WeakPolarHBondContact CB-OG 3.34Å; P167-S169 VanDerWaalsContact CG-OG 3.25Å; P167-S169 WeakPolarHBondContact CG-OG 3.2Å; P167-S169 PolarHBondContact O-N 3.05Å; P167-S169 VanDerWaalsContact O-N 3.13Å
170C79.7Confident67.6Low7 Ų785.4 Ų85.45%0.04748%0.478CS..G310 helixtrans-82.6-10.1172.2-66.90000114.2Q147 C153 P166 P167 K168 Y179Q147-C170 VanDerWaalsContact CD-SG 3.56Å; Q147-C170 PolarHBondContact OE1-SG 3.38Å; Q147-C170 VanDerWaalsContact OE1-SG 3.37Å; C153-C170 HydrophobicContact CB-CB 3.82Å; C153-C170 WeakPolarHBondContact CB-SG 3.5Å; C153-C170 WeakPolarHBondContact SG-CB 3.4Å; C153-C170 CovalentContact SG-SG 2.04Å; C153-C170 PolarHBondContact SG-SG 3.48Å; P166-C170 HydrophobicContact CB-CB 4.19Å; P167-C170 WeakPolarHBondContact O-CB 3.38Å; P167-C170 PolarHBondContact O-N 3.44Å; K168-C170 PolarHBondContact O-N 3.36Å; C170-Y179 HydrophobicContact CB-CD1 4.42Å; C170-Y179 VanDerWaalsContact O-CD1 3.29Å; C170-Y179 WeakPolarHBondContact O-CD1 3.43Å; C170-Y179 VanDerWaalsContact O-CD2 3.27Å; C170-Y179 WeakPolarHBondContact O-CD2 3.15Å; C170-Y179 WeakPolarHBondContact O-CE1 3.17Å; C170-Y179 WeakPolarHBondContact O-CE2 3.26Å
171T69.7Low67.5Low100 Ų10090.8 Ų90.861%0.61350%0.495SS*.SBendtrans-117.36.9-168.323.10000114.8P167 K168P167-T171 PolarHBondContact O-OG1 2.04Å; K168-T171 VanDerWaalsContact CA-OG1 3.31Å; K168-T171 WeakPolarHBondContact CA-OG1 3.2Å; K168-T171 PolarHBondContact O-N 3.17Å; K168-T171 PolarHBondContact O-OG1 3.03Å
172V58.4Low67.8Low76 Ų7690.8 Ų90.846%0.46150%0.496SS..SBendtrans-100.8100.9-171.9174.20000112.5K168 Y179K168-V172 WeakPolarHBondContact O-CG2 3.23Å; V172-Y179 PolarHBondContact O-OH 3.43Å
173T51.4Low68.2Low128 Ų12888.6 Ų88.679%0.78547%0.474SS*.SBendtrans70.427.4146.951.60000121.9
174K50.9Low69.1Low159 Ų15983.9 Ų83.969%0.69144%0.442SS*.SBendtrans-145.2114.8154.6-72-167.9178176.90110.1
175S49.9Very low69.9Low83 Ų8382.8 Ų82.858%0.5844%0.442SS*.  trans24.3124164.654.70000117.5Q177 S178S175-Q177 PolarHBondContact O-N 2.88Å; S175-S178 PolarHBondContact O-N 3.44Å
176I51.8Low70.7Confident176 Ų17679 Ų7990%0.90341%0.414SS*.THydrogen-bonded Turntrans-39.3-23.3176.5-66.1161.5000115.3
177Q50.5Low71.3Confident172 Ų17277.4 Ų77.480%0.80440%0.403SS*.THydrogen-bonded Turntrans-71.6-25.8173.6-84.4175.3-30.500116.3S175 Y179S175-Q177 PolarHBondContact O-N 2.88Å; Q177-Y179 PolarHBondContact O-N 3.3Å
178S51.4Low71.7Confident53 Ų5378 Ų7837%0.37141%0.407SS..G310 helixtrans-73.2-28.6-171.6-134.10000113G151 S175 S180G151-S178 VanDerWaalsContact O-O 3.05Å; S175-S178 PolarHBondContact O-N 3.44Å; S178-S180 PolarHBondContact O-N 3.25Å
179Y56.5Low72.2Confident41 Ų4175 Ų7516%0.16140%0.395CS..G310 helixtrans-95.815-174.9-61.3-78.1000114.1C153 C170 V172 Q177 R181C153-Y179 HydrophobicContact CB-CD1 4.08Å; C170-Y179 HydrophobicContact CB-CD1 4.42Å; C170-Y179 VanDerWaalsContact O-CD1 3.29Å; C170-Y179 WeakPolarHBondContact O-CD1 3.43Å; C170-Y179 VanDerWaalsContact O-CD2 3.27Å; C170-Y179 WeakPolarHBondContact O-CD2 3.15Å; C170-Y179 WeakPolarHBondContact O-CE1 3.17Å; C170-Y179 WeakPolarHBondContact O-CE2 3.26Å; V172-Y179 PolarHBondContact O-OH 3.43Å; Q177-Y179 PolarHBondContact O-N 3.3Å; Y179-R181 VanDerWaalsContact C-N 3.31Å
180S63.5Low72.7Confident93 Ų9375.9 Ų75.965%0.6540%0.402SS*.G310 helixtrans-78.1-16.4169.9-171.40000112.7S178S178-S180 PolarHBondContact O-N 3.25Å
181R84Confident73Confident151 Ų15178.6 Ų78.657%0.5742%0.421SS*.SBendtrans-98.1134.8-178.5-64.5-168.4-177.4177.6-0.3111.7C153 Y179 V186C153-R181 PolarHBondContact N-O 3.32Å; Y179-R181 VanDerWaalsContact C-N 3.31Å; R181-V186 HydrophobicContact CB-CG2 3.85Å
182G88.7Confident73.8Confident2 Ų281.4 Ų81.42%0.02142%0.42CS..  trans-67.6147.6172.900000112.6V155 T156 H184 E185 V186V155-G182 CarbonylContact O-C 3.25Å; V155-G182 VanDerWaalsContact O-C 3.25Å; V155-G182 WeakPolarHBondContact O-CA 3.45Å; T156-G182 WeakPolarHBondContact O-CA 3.4Å; T156-G182 PolarHBondContact O-N 3.39Å; G182-H184 PolarHBondContact O-N 2.8Å; G182-E185 PolarHBondContact O-N 3.44Å; G182-V186 WeakPolarHBondContact O-CG2 3.29Å; G182-V186 PolarHBondContact O-N 3.12Å
183C90.4Very high75.3Confident0 Ų081.4 Ų81.40%042%0.423CS..Hα-helixtrans-63.1-25.9176.8-68.20000112.8L123 I146 C152 G154 V155 L187L123-C183 HydrophobicContact CD1-CB 4.24Å; I146-C183 HydrophobicContact CG2-CB 4.23Å; C152-C183 VanDerWaalsContact C-SG 3.52Å; C152-C183 HydrophobicContact CB-CB 3.87Å; C152-C183 WeakPolarHBondContact CB-SG 2.93Å; C152-C183 WeakPolarHBondContact SG-CA 3.42Å; C152-C183 WeakPolarHBondContact SG-CB 3.22Å; C152-C183 CovalentContact SG-SG 2.04Å; C152-C183 PolarHBondContact SG-SG 2.98Å; G154-C183 WeakPolarHBondContact O-CB 3.37Å; G154-C183 PolarHBondContact O-N 3.06Å; G154-C183 PolarHBondContact O-SG 3.36Å; G154-C183 VanDerWaalsContact O-SG 3.4Å; V155-C183 PolarHBondContact O-N 2.79Å; V155-C183 VanDerWaalsContact O-N 3.15Å; C183-L187 HydrophobicContact CB-CD1 4.13Å; C183-L187 VanDerWaalsContact O-CB 3.25Å; C183-L187 WeakPolarHBondContact O-CB 3.27Å; C183-L187 WeakPolarHBondContact O-CD1 3.23Å; C183-L187 PolarHBondContact O-N 3.12Å
184H92Very high77.2Confident41 Ų4179 Ų7919%0.1941%0.406CS..Hα-helixtrans-59.4-53.4176173.8-102.5000112.2N116 Y120 L123 V155 G182 L187 V188N116-H184 PolarHBondContact O-NE2 3.17Å; Y120-H184 HydrophobicContact CD2-CB 4.39Å; Y120-H184 PolarHBondContact N-CD2 2.91Å; L123-H184 HydrophobicContact CD1-CB 4Å; V155-H184 HydrophobicContact CG1-CB 4.14Å; V155-H184 WeakPolarHBondContact O-CB 3.48Å; V155-H184 PolarHBondContact O-N 3.42Å; G182-H184 PolarHBondContact O-N 2.8Å; H184-L187 PolarHBondContact O-N 3.48Å; H184-V188 VanDerWaalsContact O-CG2 3.26Å; H184-V188 WeakPolarHBondContact O-CG2 3.37Å; H184-V188 PolarHBondContact O-N 3.23Å
185E90.4Very high78.9Confident110 Ų11076 Ų7651%0.51440%0.397SS..Hα-helixtrans-64.1-45.9-179.1-172.4-173.4165.200110.8G182 L187 V188 E189G182-E185 PolarHBondContact O-N 3.44Å; E185-L187 PolarHBondContact O-N 3.26Å; E185-V188 PolarHBondContact O-N 2.96Å; E185-E189 WeakPolarHBondContact O-CB 3.4Å; E185-E189 PolarHBondContact O-N 3.27Å
186V90.3Very high80.8Confident30 Ų3076.7 Ų76.718%0.18240%0.402CS..Hα-helixtrans-64.1-39.9-179.2179.60000111.6F150 C152 R181 G182 A190F150-V186 HydrophobicContact CB-CG1 3.88Å; F150-V186 HydrophobicContact CD1-CG1 4.43Å; C152-V186 HydrophobicContact CB-CB 4.14Å; C152-V186 HydrophobicContact CB-CG2 3.99Å; R181-V186 HydrophobicContact CB-CG2 3.85Å; G182-V186 WeakPolarHBondContact O-CG2 3.29Å; G182-V186 PolarHBondContact O-N 3.12Å; V186-A190 WeakPolarHBondContact O-CB 3.24Å; V186-A190 PolarHBondContact O-N 3.45Å
187L89.6Confident82.8Confident20 Ų2072.7 Ų72.711%0.10539%0.385CS..Hα-helixtrans-69.1-41177.1-92.869.8000111.8M119 I146 F150 C183 H184 E185 E189 A190 C191M119-L187 HydrophobicContact SD-CD2 4.08Å; I146-L187 HydrophobicContact CG2-CD1 3.76Å; I146-L187 HydrophobicContact CG2-CD2 4.44Å; F150-L187 HydrophobicContact CB-CD1 4.38Å; F150-L187 HydrophobicContact CD2-CD1 3.87Å; F150-L187 HydrophobicContact CE2-CD1 4.3Å; F150-L187 HydrophobicContact CG-CD1 4.04Å; C183-L187 HydrophobicContact CB-CD1 4.13Å; C183-L187 VanDerWaalsContact O-CB 3.25Å; C183-L187 WeakPolarHBondContact O-CB 3.27Å; C183-L187 WeakPolarHBondContact O-CD1 3.23Å; C183-L187 PolarHBondContact O-N 3.12Å; H184-L187 PolarHBondContact O-N 3.48Å; E185-L187 PolarHBondContact O-N 3.26Å; L187-E189 VanDerWaalsContact C-N 3.32Å; L187-A190 PolarHBondContact O-N 3.15Å; L187-C191 WeakPolarHBondContact O-CB 3.3Å; L187-C191 PolarHBondContact O-N 2.83Å; L187-C191 PolarHBondContact O-SG 3.33Å
188V88.7Confident84.7Confident23 Ų2369.3 Ų69.314%0.13937%0.371CS..Hα-helixtrans-62.5-43.3176.4170.70000110.3N116 H184 E185 C191 R192N116-V188 WeakPolarHBondContact OD1-CG1 3.3Å; N116-V188 WeakPolarHBondContact OD1-CG2 3.41Å; H184-V188 VanDerWaalsContact O-CG2 3.26Å; H184-V188 WeakPolarHBondContact O-CG2 3.37Å; H184-V188 PolarHBondContact O-N 3.23Å; E185-V188 PolarHBondContact O-N 2.96Å; V188-C191 PolarHBondContact O-N 2.92Å; V188-R192 WeakPolarHBondContact O-CG 3.34Å; V188-R192 PolarHBondContact O-N 3.38Å
189E90.3Very high86.6Confident111 Ų11169.7 Ų69.752%0.51937%0.374SS..Hα-helixtrans-67.7-39.4176.8-168.856.9-147.500112E185 L187 C191 R192 S193E185-E189 WeakPolarHBondContact O-CB 3.4Å; E185-E189 PolarHBondContact O-N 3.27Å; L187-E189 VanDerWaalsContact C-N 3.32Å; E189-C191 PolarHBondContact O-N 3Å; E189-R192 PolarHBondContact O-N 3.28Å; E189-S193 WeakPolarHBondContact O-CB 3.16Å; E189-S193 PolarHBondContact O-N 2.9Å; E189-S193 PolarHBondContact O-OG 2.93Å
190A88Confident88.3Confident17 Ų1769.2 Ų69.214%0.1438%0.381CS..Hα-helixtrans-62.1-42.9173.700000111.5F150 V186 L187 S193 N194F150-A190 HydrophobicContact CD1-CB 4.12Å; F150-A190 HydrophobicContact CE1-CB 3.74Å; V186-A190 WeakPolarHBondContact O-CB 3.24Å; V186-A190 PolarHBondContact O-N 3.45Å; L187-A190 PolarHBondContact O-N 3.15Å; A190-S193 WeakPolarHBondContact CA-OG 3.09Å; A190-S193 PolarHBondContact O-OG 3.37Å; A190-S193 VanDerWaalsContact O-OG 3.08Å; A190-N194 VanDerWaalsContact O-CB 3.29Å; A190-N194 WeakPolarHBondContact O-CB 3.17Å; A190-N194 PolarHBondContact O-N 2.91Å; A190-N194 PolarHBondContact O-ND2 2.92Å
191C86.4Confident89.8Confident65 Ų6568.3 Ų68.344%0.43937%0.371SS..Hα-helixtrans-63.6-40.6175.3-76.10000112L187 V188 E189 L195L187-C191 WeakPolarHBondContact O-CB 3.3Å; L187-C191 PolarHBondContact O-N 2.83Å; L187-C191 PolarHBondContact O-SG 3.33Å; V188-C191 PolarHBondContact O-N 2.92Å; E189-C191 PolarHBondContact O-N 3Å; C191-L195 WeakPolarHBondContact O-CA 3.21Å; C191-L195 WeakPolarHBondContact O-CB 3.45Å; C191-L195 PolarHBondContact O-N 3.34Å; C191-L195 VanDerWaalsContact O-N 3.07Å
192R87.7Confident90.3Very high159 Ų15963 Ų6360%0.636%0.364SS*.Hα-helixtrans-68.2-46.8178-74.9177.2177.2-150.5-3.4112.2V188 E189 N194 L195V188-R192 WeakPolarHBondContact O-CG 3.34Å; V188-R192 PolarHBondContact O-N 3.38Å; E189-R192 PolarHBondContact O-N 3.28Å; R192-N194 PolarHBondContact O-N 3.31Å; R192-L195 WeakPolarHBondContact O-CB 3.34Å; R192-L195 PolarHBondContact O-N 3.16Å
193S89.8Confident90.5Very high75 Ų7567.9 Ų67.952%0.52439%0.388SS..Hα-helixtrans-67.2-34.1179.656.20000113E189 A190E189-S193 WeakPolarHBondContact O-CB 3.16Å; E189-S193 PolarHBondContact O-N 2.9Å; E189-S193 PolarHBondContact O-OG 2.93Å; A190-S193 WeakPolarHBondContact CA-OG 3.09Å; A190-S193 PolarHBondContact O-OG 3.37Å; A190-S193 VanDerWaalsContact O-OG 3.08Å
194N89.6Confident90.8Very high78 Ų7870.9 Ų70.942%0.41741%0.41SS..THydrogen-bonded Turntrans-95.17.2179.2-65.9-82.5000113.7A190 R192 S196 V197 I198A190-N194 VanDerWaalsContact O-CB 3.29Å; A190-N194 WeakPolarHBondContact O-CB 3.17Å; A190-N194 PolarHBondContact O-N 2.91Å; A190-N194 PolarHBondContact O-ND2 2.92Å; R192-N194 PolarHBondContact O-N 3.31Å; N194-S196 PolarHBondContact O-N 3.45Å; N194-V197 WeakPolarHBondContact O-CB 3.33Å; N194-V197 PolarHBondContact O-N 3.21Å; N194-I198 HydrophobicContact CB-CD1 4.5Å; N194-I198 WeakPolarHBondContact O-CG1 3.43Å; N194-I198 PolarHBondContact O-N 3.41Å
195L88.2Confident90.8Very high97 Ų9774.9 Ų74.951%0.50843%0.427SS..Hα-helixtrans-55.4-41.1-177.7-171.7144.7000111.6C191 R192 V197 I198 C199C191-L195 WeakPolarHBondContact O-CA 3.21Å; C191-L195 WeakPolarHBondContact O-CB 3.45Å; C191-L195 PolarHBondContact O-N 3.34Å; C191-L195 VanDerWaalsContact O-N 3.07Å; R192-L195 WeakPolarHBondContact O-CB 3.34Å; R192-L195 PolarHBondContact O-N 3.16Å; L195-V197 VanDerWaalsContact C-N 3.33Å; L195-V197 PolarHBondContact O-N 3.4Å; L195-I198 PolarHBondContact O-N 2.92Å; L195-C199 WeakPolarHBondContact O-CB 3.41Å; L195-C199 PolarHBondContact O-N 3.15Å; L195-C199 PolarHBondContact O-SG 3.04Å; L195-C199 VanDerWaalsContact O-SG 3.32Å
196S90.1Very high91.1Very high97 Ų9770.8 Ų70.868%0.67841%0.412SS*.Hα-helixtrans-58.8-41.6176.2-53.20000112.7N194 G200N194-S196 PolarHBondContact O-N 3.45Å; S196-G200 PolarHBondContact O-N 3.01Å
197V93Very high91.3Very high92 Ų9274.6 Ų74.656%0.55843%0.431SS*.Hα-helixtrans-69.7-44.9178.1-179.70000110.3N194 L195 C199 G200 V201N194-V197 WeakPolarHBondContact O-CB 3.33Å; N194-V197 PolarHBondContact O-N 3.21Å; L195-V197 VanDerWaalsContact C-N 3.33Å; L195-V197 PolarHBondContact O-N 3.4Å; V197-C199 PolarHBondContact O-N 2.74Å; V197-G200 PolarHBondContact O-N 2.93Å; V197-V201 HydrophobicContact CG1-CG2 4.48Å; V197-V201 WeakPolarHBondContact O-CG2 3.27Å; V197-V201 PolarHBondContact O-N 2.69Å
198I89.5Confident91.5Very high100 Ų10077.2 Ų77.251%0.51344%0.444SS..Hα-helixtrans-60.2-47178.7-64.5166.7000110.4N194 L195 V201 G202N194-I198 HydrophobicContact CB-CD1 4.5Å; N194-I198 WeakPolarHBondContact O-CG1 3.43Å; N194-I198 PolarHBondContact O-N 3.41Å; L195-I198 PolarHBondContact O-N 2.92Å; I198-V201 PolarHBondContact O-N 2.95Å; I198-G202 PolarHBondContact O-N 2.83Å
199C91.1Very high91.8Very high62 Ų6277.5 Ų77.542%0.41944%0.444SS..Hα-helixtrans-61.9-43175.1-71.20000111.7L195 V197 V201 G202 I203L195-C199 WeakPolarHBondContact O-CB 3.41Å; L195-C199 PolarHBondContact O-N 3.15Å; L195-C199 PolarHBondContact O-SG 3.04Å; L195-C199 VanDerWaalsContact O-SG 3.32Å; V197-C199 PolarHBondContact O-N 2.74Å; C199-V201 PolarHBondContact O-N 3.29Å; C199-G202 PolarHBondContact O-N 3.4Å; C199-I203 VanDerWaalsContact O-CG1 3.27Å; C199-I203 WeakPolarHBondContact O-CG1 3.27Å; C199-I203 PolarHBondContact O-N 3.46Å
200G94.1Very high92Very high31 Ų3175.6 Ų75.632%0.3244%0.437SS..Hα-helixtrans-60.3-43.317700000113S196 V197 S204S196-G200 PolarHBondContact O-N 3.01Å; V197-G200 PolarHBondContact O-N 2.93Å; G200-S204 WeakPolarHBondContact O-CB 3.41Å; G200-S204 PolarHBondContact O-N 3.27Å; G200-S204 PolarHBondContact O-OG 3.5Å
201V93.8Very high92.2Very high73 Ų7376.8 Ų76.844%0.44245%0.445SS..Hα-helixtrans-61.9-48.4174.1172.80000110.2V197 I198 C199 I203 S204 F205V197-V201 HydrophobicContact CG1-CG2 4.48Å; V197-V201 WeakPolarHBondContact O-CG2 3.27Å; V197-V201 PolarHBondContact O-N 2.69Å; I198-V201 PolarHBondContact O-N 2.95Å; C199-V201 PolarHBondContact O-N 3.29Å; V201-I203 PolarHBondContact O-N 3.46Å; V201-S204 WeakPolarHBondContact O-CB 3.45Å; V201-S204 PolarHBondContact O-N 3.3Å; V201-F205 HydrophobicContact CG1-CD2 3.68Å; V201-F205 HydrophobicContact CG1-CE2 3.58Å; V201-F205 VanDerWaalsContact O-CD2 3.26Å; V201-F205 WeakPolarHBondContact O-CD2 3.5Å; V201-F205 PolarHBondContact O-N 2.95Å
202G93.8Very high92.4Very high41 Ų4174.2 Ų74.242%0.42343%0.429SS..Hα-helixtrans-58.6-44.8178.200000113.6I198 C199 S204 F205 A206I198-G202 PolarHBondContact O-N 2.83Å; C199-G202 PolarHBondContact O-N 3.4Å; G202-S204 VanDerWaalsContact C-N 3.34Å; G202-S204 PolarHBondContact O-N 2.93Å; G202-F205 PolarHBondContact O-N 3.32Å; G202-A206 PolarHBondContact O-N 3.19Å
203I94.6Very high92.8Very high103 Ų10367.6 Ų67.653%0.52841%0.405SS..Hα-helixtrans-63.2-42176.3-67.8164.7000110.7C199 V201 F205 A206 L207C199-I203 VanDerWaalsContact O-CG1 3.27Å; C199-I203 WeakPolarHBondContact O-CG1 3.27Å; C199-I203 PolarHBondContact O-N 3.46Å; V201-I203 PolarHBondContact O-N 3.46Å; I203-F205 PolarHBondContact O-N 3.31Å; I203-A206 WeakPolarHBondContact O-CB 3.06Å; I203-A206 PolarHBondContact O-N 2.99Å; I203-L207 HydrophobicContact CG2-CD1 4.2Å; I203-L207 HydrophobicContact CG2-CG 4.4Å; I203-L207 WeakPolarHBondContact O-CG 3.38Å; I203-L207 PolarHBondContact O-N 2.76Å
204S95Very high92.9Very high64 Ų6467.5 Ų67.545%0.44840%0.401SS..Hα-helixtrans-60.5-46177.8-57.10000111.4G200 V201 G202 A206 L207 I208G200-S204 WeakPolarHBondContact O-CB 3.41Å; G200-S204 PolarHBondContact O-N 3.27Å; G200-S204 PolarHBondContact O-OG 3.5Å; V201-S204 WeakPolarHBondContact O-CB 3.45Å; V201-S204 PolarHBondContact O-N 3.3Å; G202-S204 VanDerWaalsContact C-N 3.34Å; G202-S204 PolarHBondContact O-N 2.93Å; S204-A206 PolarHBondContact O-N 3.3Å; S204-L207 PolarHBondContact O-N 2.84Å; S204-I208 VanDerWaalsContact O-CG1 3.31Å; S204-I208 WeakPolarHBondContact O-CG1 3Å; S204-I208 PolarHBondContact O-N 3.01Å
205F93.5Very high93Very high124 Ų12467.1 Ų67.154%0.54440%0.396SS..Hα-helixtrans-60.9-43.3173.9-85-75.5000112.1V201 G202 I203 L207 I208 L209V201-F205 HydrophobicContact CG1-CD2 3.68Å; V201-F205 HydrophobicContact CG1-CE2 3.58Å; V201-F205 VanDerWaalsContact O-CD2 3.26Å; V201-F205 WeakPolarHBondContact O-CD2 3.5Å; V201-F205 PolarHBondContact O-N 2.95Å; G202-F205 PolarHBondContact O-N 3.32Å; I203-F205 PolarHBondContact O-N 3.31Å; F205-L207 PolarHBondContact O-N 3.09Å; F205-I208 PolarHBondContact O-N 2.04Å; F205-L209 WeakPolarHBondContact O-CG 3.31Å; F205-L209 PolarHBondContact O-N 3.13Å
206A95.3Very high93.2Very high25 Ų2562.5 Ų62.521%0.20737%0.372CS..Hα-helixtrans-60.1-44.7177.500000112.2F98 G202 I203 S204 I208 L209 I210F98-A206 HydrophobicContact CE2-CB 4.19Å; G202-A206 PolarHBondContact O-N 3.19Å; I203-A206 WeakPolarHBondContact O-CB 3.06Å; I203-A206 PolarHBondContact O-N 2.99Å; S204-A206 PolarHBondContact O-N 3.3Å; A206-I208 PolarHBondContact O-N 2.57Å; A206-L209 PolarHBondContact O-N 3.49Å; A206-I210 WeakPolarHBondContact O-CB 3.15Å; A206-I210 VanDerWaalsContact O-CG1 3.24Å; A206-I210 WeakPolarHBondContact O-CG1 3.48Å; A206-I210 PolarHBondContact O-N 3.34Å
207L95.6Very high93.2Very high110 Ų11062 Ų6258%0.57636%0.36SS*.Hα-helixtrans-62.6-41.8176.8-70.3175.8000112I203 S204 F205 I210 S211I203-L207 HydrophobicContact CG2-CD1 4.2Å; I203-L207 HydrophobicContact CG2-CG 4.4Å; I203-L207 WeakPolarHBondContact O-CG 3.38Å; I203-L207 PolarHBondContact O-N 2.76Å; S204-L207 PolarHBondContact O-N 2.84Å; F205-L207 PolarHBondContact O-N 3.09Å; L207-I210 PolarHBondContact O-N 3.49Å; L207-S211 WeakPolarHBondContact O-CB 3.38Å; L207-S211 PolarHBondContact O-N 2.88Å; L207-S211 PolarHBondContact O-OG 3.04Å
208I92.9Very high93.1Very high75 Ų7561.4 Ų61.439%0.38535%0.352SS..Hα-helixtrans-60.2-48.6176.2-70.5166.2000110.4F20 S204 F205 A206 I210 S211 G212F20-I208 HydrophobicContact CE1-CG2 4.27Å; F20-I208 HydrophobicContact CZ-CG2 3.65Å; S204-I208 VanDerWaalsContact O-CG1 3.31Å; S204-I208 WeakPolarHBondContact O-CG1 3Å; S204-I208 PolarHBondContact O-N 3.01Å; F205-I208 PolarHBondContact O-N 2.04Å; A206-I208 PolarHBondContact O-N 2.57Å; I208-I210 PolarHBondContact O-N 3.23Å; I208-S211 PolarHBondContact O-N 2.91Å; I208-S211 PolarHBondContact O-OG 3.1Å; I208-G212 PolarHBondContact O-N 3.02Å
209L94.5Very high93.1Very high28 Ų2856.9 Ų56.915%0.14733%0.328CS..Hα-helixtrans-63.3-43.9179.5-64.7171.3000111.9V94 F98 L101 F205 A206 S211 G212 M213V94-L209 HydrophobicContact CG1-CB 4.01Å; V94-L209 HydrophobicContact CG1-CD2 3.88Å; V94-L209 WeakPolarHBondContact CG1-O 3.25Å; F98-L209 HydrophobicContact CB-CD1 4.33Å; F98-L209 HydrophobicContact CD2-CB 4.42Å; F98-L209 HydrophobicContact CD2-CD1 4.43Å; L101-L209 HydrophobicContact CD1-CD1 3.63Å; F205-L209 WeakPolarHBondContact O-CG 3.31Å; F205-L209 PolarHBondContact O-N 3.13Å; A206-L209 PolarHBondContact O-N 3.49Å; L209-S211 VanDerWaalsContact C-N 3.34Å; L209-S211 PolarHBondContact O-N 3.41Å; L209-G212 PolarHBondContact O-N 2.75Å; L209-M213 WeakPolarHBondContact O-CG 3.35Å; L209-M213 PolarHBondContact O-N 2.78Å
210I95.2Very high93Very high72 Ų7255.3 Ų55.337%0.36932%0.318SS..Hα-helixtrans-61.2-44.2176.5-68.1165.7000110.6F98 A206 L207 I208 G212 M213 V214F98-I210 HydrophobicContact CD2-CG1 4.43Å; F98-I210 HydrophobicContact CE2-CD1 3.97Å; F98-I210 HydrophobicContact CE2-CG1 4Å; F98-I210 HydrophobicContact CZ-CD1 4.25Å; F98-I210 HydrophobicContact CZ-CG1 4.43Å; A206-I210 WeakPolarHBondContact O-CB 3.15Å; A206-I210 VanDerWaalsContact O-CG1 3.24Å; A206-I210 WeakPolarHBondContact O-CG1 3.48Å; A206-I210 PolarHBondContact O-N 3.34Å; L207-I210 PolarHBondContact O-N 3.49Å; I208-I210 PolarHBondContact O-N 3.23Å; I210-G212 VanDerWaalsContact C-N 3.31Å; I210-G212 PolarHBondContact O-N 3.22Å; I210-M213 HydrophobicContact CB-CE 4.39Å; I210-M213 HydrophobicContact CG1-CE 3.93Å; I210-M213 PolarHBondContact O-N 2.85Å; I210-V214 HydrophobicContact CG2-CG2 4.21Å; I210-V214 VanDerWaalsContact O-CG2 3.31Å; I210-V214 WeakPolarHBondContact O-CG2 3.33Å; I210-V214 PolarHBondContact O-N 3.44Å
211S92.2Very high92.8Very high42 Ų4257.5 Ų57.529%0.29433%0.327SS..Hα-helixtrans-60-42.4177.276.30000111.9L207 I208 L209 M213 V214 F215L207-S211 WeakPolarHBondContact O-CB 3.38Å; L207-S211 PolarHBondContact O-N 2.88Å; L207-S211 PolarHBondContact O-OG 3.04Å; I208-S211 PolarHBondContact O-N 2.91Å; I208-S211 PolarHBondContact O-OG 3.1Å; L209-S211 VanDerWaalsContact C-N 3.34Å; L209-S211 PolarHBondContact O-N 3.41Å; S211-M213 PolarHBondContact O-N 3.28Å; S211-V214 PolarHBondContact O-N 2.81Å; S211-F215 WeakPolarHBondContact O-CB 3.27Å; S211-F215 WeakPolarHBondContact O-CD2 3.43Å; S211-F215 VanDerWaalsContact O-CG 3.25Å; S211-F215 WeakPolarHBondContact O-CG 3.41Å; S211-F215 PolarHBondContact O-N 3.43Å
212G91.9Very high92.5Very high10 Ų1054.4 Ų54.410%0.10331%0.309CS..Hα-helixtrans-61.1-43.117500000112.6I208 L209 I210 S216I208-G212 PolarHBondContact O-N 3.02Å; L209-G212 PolarHBondContact O-N 2.75Å; I210-G212 VanDerWaalsContact C-N 3.31Å; I210-G212 PolarHBondContact O-N 3.22Å; G212-S216 WeakPolarHBondContact O-CB 3.32Å; G212-S216 PolarHBondContact O-N 3.03Å
213M94.2Very high92.1Very high20 Ų2053.1 Ų53.110%0.09929%0.293CS..Hα-helixtrans-62.7-46.2175.5-73-172.5-70.700112.2F91 V94 F95 F98 L209 I210 S211 S216 M217F91-M213 HydrophobicContact CD2-CB 3.92Å; F91-M213 HydrophobicContact CD2-CG 4Å; F91-M213 HydrophobicContact CE2-CB 3.78Å; F91-M213 HydrophobicContact CE2-CG 3.98Å; F91-M213 HydrophobicContact CE2-SD 4.29Å; V94-M213 HydrophobicContact CB-CG 4.17Å; V94-M213 HydrophobicContact CG1-CG 3.56Å; V94-M213 HydrophobicContact CG1-SD 4.3Å; F95-M213 HydrophobicContact CB-SD 3.95Å; F95-M213 HydrophobicContact CD2-SD 4Å; F98-M213 HydrophobicContact CB-CE 4.23Å; F98-M213 HydrophobicContact CD1-CE 4.37Å; F98-M213 HydrophobicContact CD2-CE 4.43Å; F98-M213 HydrophobicContact CG-CE 4.09Å; L209-M213 WeakPolarHBondContact O-CG 3.35Å; L209-M213 PolarHBondContact O-N 2.78Å; I210-M213 HydrophobicContact CB-CE 4.39Å; I210-M213 HydrophobicContact CG1-CE 3.93Å; I210-M213 PolarHBondContact O-N 2.85Å; S211-M213 PolarHBondContact O-N 3.28Å; M213-S216 PolarHBondContact O-N 3.36Å; M213-M217 WeakPolarHBondContact O-CG 3.35Å; M213-M217 PolarHBondContact O-N 2.84Å
214V93.6Very high91.8Very high73 Ų7357 Ų5744%0.44230%0.301SS..Hα-helixtrans-64.2-47-179.9173.70000110.8I210 S211 S216 M217 M218I210-V214 HydrophobicContact CG2-CG2 4.21Å; I210-V214 VanDerWaalsContact O-CG2 3.31Å; I210-V214 WeakPolarHBondContact O-CG2 3.33Å; I210-V214 PolarHBondContact O-N 3.44Å; S211-V214 PolarHBondContact O-N 2.81Å; V214-S216 VanDerWaalsContact C-N 3.34Å; V214-S216 PolarHBondContact O-N 2.89Å; V214-M217 PolarHBondContact O-N 3.42Å; V214-M218 HydrophobicContact CG1-CE 3.89Å; V214-M218 HydrophobicContact CG1-CG 4.44Å; V214-M218 HydrophobicContact CG1-SD 4.25Å; V214-M218 WeakPolarHBondContact O-CB 3.42Å; V214-M218 WeakPolarHBondContact O-CG 3.27Å; V214-M218 PolarHBondContact O-N 2.69Å
215F91.1Very high91.3Very high70 Ų7061.7 Ų61.731%0.30732%0.316SS..Hα-helixtrans-61.8-42.3176.5-65.6-37000112.2L13 M17 S211 M217 M218 L219L13-F215 HydrophobicContact CD2-CD1 3.72Å; L13-F215 HydrophobicContact CD2-CE1 3.64Å; M17-F215 HydrophobicContact SD-CB 4.36Å; S211-F215 WeakPolarHBondContact O-CB 3.27Å; S211-F215 WeakPolarHBondContact O-CD2 3.43Å; S211-F215 VanDerWaalsContact O-CG 3.25Å; S211-F215 WeakPolarHBondContact O-CG 3.41Å; S211-F215 PolarHBondContact O-N 3.43Å; F215-M217 PolarHBondContact O-N 3.22Å; F215-M218 HydrophobicContact CD1-CE 3.43Å; F215-M218 VanDerWaalsContact CD1-CE 3.43Å; F215-M218 HydrophobicContact CE1-CE 3.95Å; F215-M218 PolarHBondContact O-N 2.97Å; F215-L219 VanDerWaalsContact O-CB 3.29Å; F215-L219 WeakPolarHBondContact O-CB 3.42Å; F215-L219 PolarHBondContact O-N 2.96Å
216S91.8Very high90.7Very high1 Ų161.8 Ų61.81%0.00732%0.321CS..Hα-helixtrans-60.7-44.9176.3-169.50000112.1L87 G212 M213 V214 C220L87-S216 VanDerWaalsContact CD1-OG 3.31Å; L87-S216 WeakPolarHBondContact CD1-OG 3.42Å; L87-S216 VanDerWaalsContact CD2-O 3.27Å; L87-S216 WeakPolarHBondContact CD2-O 3.34Å; L87-S216 VanDerWaalsContact CG-OG 3.31Å; L87-S216 WeakPolarHBondContact CG-OG 3.29Å; L87-S216 PolarHBondContact O-OG 2.79Å; G212-S216 WeakPolarHBondContact O-CB 3.32Å; G212-S216 PolarHBondContact O-N 3.03Å; M213-S216 PolarHBondContact O-N 3.36Å; V214-S216 VanDerWaalsContact C-N 3.34Å; V214-S216 PolarHBondContact O-N 2.89Å; S216-C220 VanDerWaalsContact O-CB 3.27Å; S216-C220 WeakPolarHBondContact O-CB 3.48Å; S216-C220 PolarHBondContact O-N 3.02Å
217M91.5Very high89.8Confident87 Ų8766.9 Ų66.943%0.42936%0.355SS..Hα-helixtrans-68.1-43.7178.4-71.2-66.8-83.400112.2F91 M213 V214 F215 L219 C220 C221F91-M217 HydrophobicContact CD2-CG 3.61Å; F91-M217 HydrophobicContact CD2-SD 3.93Å; F91-M217 HydrophobicContact CE2-CG 3.47Å; F91-M217 VanDerWaalsContact CE2-CG 3.47Å; F91-M217 HydrophobicContact CE2-SD 3.89Å; F91-M217 HydrophobicContact CG-SD 4.28Å; F91-M217 HydrophobicContact CZ-CG 4.29Å; F91-M217 HydrophobicContact CZ-SD 4.24Å; M213-M217 WeakPolarHBondContact O-CG 3.35Å; M213-M217 PolarHBondContact O-N 2.84Å; V214-M217 PolarHBondContact O-N 3.42Å; F215-M217 PolarHBondContact O-N 3.22Å; M217-L219 VanDerWaalsContact C-N 3.34Å; M217-L219 PolarHBondContact O-N 3.37Å; M217-C220 PolarHBondContact O-N 3.29Å; M217-C221 WeakPolarHBondContact O-CB 2.97Å; M217-C221 PolarHBondContact O-N 3.36Å; M217-C221 PolarHBondContact O-SG 2.97Å; M217-C221 VanDerWaalsContact O-SG 3.32Å
218M90.7Very high89.5Confident79 Ų7964.7 Ų64.739%0.38934%0.344SS..Hα-helixtrans-60.6-44176.6-72.1-169.4-57.700111.8L13 V214 F215 A222L13-M218 HydrophobicContact CD1-CE 4.04Å; L13-M218 HydrophobicContact CD2-CE 4.09Å; V214-M218 HydrophobicContact CG1-CE 3.89Å; V214-M218 HydrophobicContact CG1-CG 4.44Å; V214-M218 HydrophobicContact CG1-SD 4.25Å; V214-M218 WeakPolarHBondContact O-CB 3.42Å; V214-M218 WeakPolarHBondContact O-CG 3.27Å; V214-M218 PolarHBondContact O-N 2.69Å; F215-M218 HydrophobicContact CD1-CE 3.43Å; F215-M218 VanDerWaalsContact CD1-CE 3.43Å; F215-M218 HydrophobicContact CE1-CE 3.95Å; F215-M218 PolarHBondContact O-N 2.97Å; M218-A222 WeakPolarHBondContact O-CB 3.39Å; M218-A222 PolarHBondContact O-N 3Å
219L89.2Confident89.4Confident4 Ų464.2 Ų64.22%0.02134%0.342CS..Hα-helixtrans-66.2-39.4177.6-170.581000110.7F10 K14 M17 A79 L87 F215 M217 A222 I223F10-L219 HydrophobicContact CD2-CD1 4.23Å; F10-L219 HydrophobicContact CE2-CD1 3.4Å; F10-L219 HydrophobicContact CE2-CG 4.36Å; F10-L219 HydrophobicContact CZ-CD1 3.61Å; K14-L219 HydrophobicContact CB-CD1 4.06Å; K14-L219 HydrophobicContact CG-CD1 4.46Å; M17-L219 HydrophobicContact SD-CD2 4.06Å; A79-L219 HydrophobicContact CB-CD2 4.29Å; L87-L219 HydrophobicContact CD1-CD2 4Å; L87-L219 HydrophobicContact CD2-CB 3.82Å; L87-L219 HydrophobicContact CD2-CD2 3.82Å; L87-L219 HydrophobicContact CD2-CG 3.94Å; F215-L219 VanDerWaalsContact O-CB 3.29Å; F215-L219 WeakPolarHBondContact O-CB 3.42Å; F215-L219 PolarHBondContact O-N 2.96Å; M217-L219 VanDerWaalsContact C-N 3.34Å; M217-L219 PolarHBondContact O-N 3.37Å; L219-A222 PolarHBondContact O-N 3.48Å; L219-I223 HydrophobicContact CD2-CD1 4.48Å; L219-I223 HydrophobicContact CG-CD1 4.01Å; L219-I223 WeakPolarHBondContact O-CD1 3.27Å; L219-I223 WeakPolarHBondContact O-CG1 3.42Å; L219-I223 PolarHBondContact O-N 3.23Å
220C89.4Confident89.1Confident29 Ų2966.2 Ų66.220%0.19635%0.353CS..Hα-helixtrans-63.5-47.1176.6-168.70000112.1L87 S216 M217 I223 R224L87-C220 HydrophobicContact CD2-CB 3.69Å; L87-C220 VanDerWaalsContact CD2-N 3.27Å; L87-C220 HydrophobicContact CG-CB 4.39Å; S216-C220 VanDerWaalsContact O-CB 3.27Å; S216-C220 WeakPolarHBondContact O-CB 3.48Å; S216-C220 PolarHBondContact O-N 3.02Å; M217-C220 PolarHBondContact O-N 3.29Å; C220-I223 PolarHBondContact O-N 2.98Å; C220-R224 PolarHBondContact O-N 3.27Å
221C88.8Confident88.7Confident77 Ų7765.8 Ų65.852%0.5235%0.352SS..Hα-helixtrans-59.8-46.7176.1-72.60000111.4M217 I223 R224 E225M217-C221 WeakPolarHBondContact O-CB 2.97Å; M217-C221 PolarHBondContact O-N 3.36Å; M217-C221 PolarHBondContact O-SG 2.97Å; M217-C221 VanDerWaalsContact O-SG 3.32Å; C221-I223 PolarHBondContact O-N 2.87Å; C221-R224 WeakPolarHBondContact O-CB 3.34Å; C221-R224 PolarHBondContact O-N 3.25Å; C221-E225 WeakPolarHBondContact O-CG 3.48Å; C221-E225 PolarHBondContact O-N 3.18Å; C221-E225 VanDerWaalsContact O-N 3.1Å
222A87Confident88.5Confident8 Ų867.3 Ų67.37%0.06636%0.356CS..Hα-helixtrans-66.7-36.3-179.900000112.9F6 F10 M218 L219 R224 E225 L226F6-A222 HydrophobicContact CZ-CB 4.37Å; F10-A222 HydrophobicContact CD2-CB 3.52Å; F10-A222 HydrophobicContact CE2-CB 3.29Å; F10-A222 HydrophobicContact CZ-CB 4.3Å; M218-A222 WeakPolarHBondContact O-CB 3.39Å; M218-A222 PolarHBondContact O-N 3Å; L219-A222 PolarHBondContact O-N 3.48Å; A222-R224 VanDerWaalsContact C-N 3.32Å; A222-E225 PolarHBondContact O-N 3.29Å; A222-L226 WeakPolarHBondContact O-CD1 3.47Å; A222-L226 WeakPolarHBondContact O-CG 3.3Å; A222-L226 PolarHBondContact O-N 3.27Å
223I86.4Confident88.3Confident15 Ų1571.1 Ų71.18%0.07737%0.372CS..Hα-helixtrans-63.6-40172.6-68.1161.6000110.7F10 E82 Q84 L87 L219 C220 C221 E225 L226 S227F10-I223 HydrophobicContact CZ-CG1 4.41Å; E82-I223 HydrophobicContact CB-CD1 3.87Å; E82-I223 HydrophobicContact CB-CG1 4.12Å; E82-I223 HydrophobicContact CG-CD1 4.38Å; E82-I223 WeakPolarHBondContact O-CG2 3.49Å; Q84-I223 HydrophobicContact CG-CB 4.32Å; Q84-I223 HydrophobicContact CG-CG2 3.74Å; L87-I223 HydrophobicContact CD2-CD1 4.23Å; L219-I223 HydrophobicContact CD2-CD1 4.48Å; L219-I223 HydrophobicContact CG-CD1 4.01Å; L219-I223 WeakPolarHBondContact O-CD1 3.27Å; L219-I223 WeakPolarHBondContact O-CG1 3.42Å; L219-I223 PolarHBondContact O-N 3.23Å; C220-I223 PolarHBondContact O-N 2.98Å; C221-I223 PolarHBondContact O-N 2.87Å; I223-E225 VanDerWaalsContact C-N 3.31Å; I223-E225 PolarHBondContact O-N 2.67Å; I223-L226 PolarHBondContact O-N 3.13Å; I223-L226 VanDerWaalsContact O-N 3.14Å; I223-S227 PolarHBondContact O-N 3.26Å; I223-S227 VanDerWaalsContact O-N 3.08Å; I223-S227 PolarHBondContact O-OG 2.88Å
224R87.7Confident87.9Confident183 Ų18374.8 Ų74.869%0.69139%0.392SS*.Hα-helixtrans-63.6-35177.7-172177.4173.5-179.9-2.2113.3Q84 C220 C221 A222 L226 S227Q84-R224 VanDerWaalsContact NE2-CB 3.27Å; C220-R224 PolarHBondContact O-N 3.27Å; C221-R224 WeakPolarHBondContact O-CB 3.34Å; C221-R224 PolarHBondContact O-N 3.25Å; A222-R224 VanDerWaalsContact C-N 3.32Å; R224-L226 VanDerWaalsContact C-N 3.28Å; R224-S227 PolarHBondContact O-OG 2.85Å; R224-S227 VanDerWaalsContact O-OG 3.05Å
225E85.2Confident87.4Confident164 Ų16474.9 Ų74.977%0.76639%0.388SS*.Hα-helixtrans-74.9-20.5176.4-66.8-68.9153.700112.5C221 A222 I223C221-E225 WeakPolarHBondContact O-CG 3.48Å; C221-E225 PolarHBondContact O-N 3.18Å; C221-E225 VanDerWaalsContact O-N 3.1Å; A222-E225 PolarHBondContact O-N 3.29Å; I223-E225 VanDerWaalsContact C-N 3.31Å; I223-E225 PolarHBondContact O-N 2.67Å
226L80.5Confident87.1Confident126 Ų12675.3 Ų75.366%0.6640%0.395SS*.Hα-helixtrans-89.2-23.2178.1-74.8159.9000113.1F10 A222 I223 R224F10-L226 HydrophobicContact CE1-CD1 4.45Å; F10-L226 HydrophobicContact CZ-CD1 4.42Å; A222-L226 WeakPolarHBondContact O-CD1 3.47Å; A222-L226 WeakPolarHBondContact O-CG 3.3Å; A222-L226 PolarHBondContact O-N 3.27Å; I223-L226 PolarHBondContact O-N 3.13Å; I223-L226 VanDerWaalsContact O-N 3.14Å; R224-L226 VanDerWaalsContact C-N 3.28Å
227S77.3Confident86.7Confident131 Ų13182.1 Ų82.192%0.91643%0.43SS*.  trans-87.80178.565.20000112.5I223 R224I223-S227 PolarHBondContact O-N 3.26Å; I223-S227 VanDerWaalsContact O-N 3.08Å; I223-S227 PolarHBondContact O-OG 2.88Å; R224-S227 PolarHBondContact O-OG 2.85Å; R224-S227 VanDerWaalsContact O-OG 3.05Å

Retrieved 227 of 227 residues in 122.6 ms (Link to these results)