A0A060XIF9_ONCMY Loading...

Phospholipid phosphatase 2

Magnesium-independent phospholipid phosphatase that catalyzes the dephosphorylation of a variety of glycerolipid and sphingolipid phosphate esters including phosphatidate/PA, lysophosphatidate/LPA, sphingosine 1-phosphate/S1P and ceramide 1-phosphate/C1P. Has no apparent extracellular phosphatase activity and therefore most probably acts intracellularly. Also acts on N-oleoyl ethanolamine phosphate/N-(9Z-octadecenoyl)-ethanolamine phosphate, a potential physiological compound. Through dephosphorylation of these bioactive lipid mediators produces new bioactive compounds and may regulate signal transduction in different cellular processes. Indirectly regulates, for instance, cell cycle G1/S phase transition through its phospholipid phosphatase activity.

AlphaFold DB , UniProt , Accession A0A060XIF9, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene LOC110524325, Length 286 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
1M54.4Low75.9Confident216 Ų216128.7 Ų128.7100%1.06459%0.594SS**  0-47.30-129.4-178.1-70.700113.6D3 L4 R5M1-D3 PolarHBondContact O-N 3.42Å; M1-L4 PolarHBondContact O-N 3.26Å; M1-R5 PolarHBondContact O-N 3.48Å
2M59.3Low77.1Confident145 Ų145126.7 Ų126.771%0.71459%0.59SS**Hα-helixtrans-63.6-36-177.9-134.2162.574.900114.1R5 K6M2-R5 PolarHBondContact O-N 3.12Å; M2-K6 WeakPolarHBondContact O-CG 3.32Å; M2-K6 PolarHBondContact O-N 3.08Å; M2-K6 VanDerWaalsContact O-N 3.1Å
3D71.2Confident78.2Confident95 Ų95122.4 Ų122.451%0.50858%0.578SS.*Hα-helixtrans-72.2-36.3180-167.540.9000113.1M1 K6 K7M1-D3 PolarHBondContact O-N 3.42Å; D3-K6 PolarHBondContact O-N 3.35Å; D3-K7 WeakPolarHBondContact O-CG 3.44Å; D3-K7 PolarHBondContact O-N 3.46Å; D3-K7 VanDerWaalsContact OD2-CE 3.3Å; D3-K7 WeakPolarHBondContact OD2-CE 3.43Å; D3-K7 IonicContact OD2-NZ 2.75Å; D3-K7 PolarHBondContact OD2-NZ 3.1Å
4L73.1Confident79Confident104 Ų104119.4 Ų119.455%0.54557%0.568SS.*Hα-helixtrans-66.5-39.2173.4-175.165.2000111.7M1 K7 K8M1-L4 PolarHBondContact O-N 3.26Å; L4-K7 PolarHBondContact O-N 3.15Å; L4-K8 WeakPolarHBondContact O-CG 3.49Å; L4-K8 PolarHBondContact O-N 3.5Å
5R78.8Confident79.8Confident208 Ų208117.2 Ų117.279%0.78557%0.565SS**Hα-helixtrans-65.8-39.9176.9-165.7-179.6-105.3-172.8-4.5111.3M1 M2 M9M1-R5 PolarHBondContact O-N 3.48Å; M2-R5 PolarHBondContact O-N 3.12Å; R5-M9 WeakPolarHBondContact O-CB 3.38Å; R5-M9 PolarHBondContact O-N 3.09Å
6K79.1Confident80.6Confident104 Ų104116.9 Ų116.945%0.45256%0.564SS.*Hα-helixtrans-62.9-47172.9-73.8-179.1-179.7-175.20112.4M2 D3 K8 M9 Y10M2-K6 WeakPolarHBondContact O-CG 3.32Å; M2-K6 PolarHBondContact O-N 3.08Å; M2-K6 VanDerWaalsContact O-N 3.1Å; D3-K6 PolarHBondContact O-N 3.35Å; K6-K8 PolarHBondContact O-N 3.42Å; K6-M9 WeakPolarHBondContact O-CB 3.39Å; K6-M9 PolarHBondContact O-N 3.33Å; K6-M9 VanDerWaalsContact O-N 3.15Å; K6-Y10 HydrophobicContact CB-CE2 4.27Å; K6-Y10 WeakPolarHBondContact O-CD2 3.07Å; K6-Y10 PolarHBondContact O-N 3.44Å
7K77.9Confident81.4Confident96 Ų96113.6 Ų113.642%0.41756%0.555SS.*Hα-helixtrans-59.3-44.6177.1-72.7169-178.3162.50112.5D3 L4 M9 Y10 V11D3-K7 WeakPolarHBondContact O-CG 3.44Å; D3-K7 PolarHBondContact O-N 3.46Å; D3-K7 VanDerWaalsContact OD2-CE 3.3Å; D3-K7 WeakPolarHBondContact OD2-CE 3.43Å; D3-K7 IonicContact OD2-NZ 2.75Å; D3-K7 PolarHBondContact OD2-NZ 3.1Å; L4-K7 PolarHBondContact O-N 3.15Å; K7-M9 VanDerWaalsContact C-N 3.32Å; K7-M9 PolarHBondContact O-N 3.41Å; K7-Y10 PolarHBondContact O-N 3.04Å; K7-V11 WeakPolarHBondContact O-CG2 3.32Å; K7-V11 PolarHBondContact O-N 3.43Å; K7-V11 VanDerWaalsContact O-N 3.16Å
8K83.6Confident82.1Confident139 Ų139109.6 Ų109.660%0.60454%0.538SS*.Hα-helixtrans-62.3-38.2174.8-73.1-178178.3-172.60112.4L4 K6 V11 L12L4-K8 WeakPolarHBondContact O-CG 3.49Å; L4-K8 PolarHBondContact O-N 3.5Å; K6-K8 PolarHBondContact O-N 3.42Å; K8-V11 PolarHBondContact O-N 3.29Å; K8-L12 WeakPolarHBondContact O-CB 3.3Å; K8-L12 PolarHBondContact O-N 2.94Å
9M86.9Confident82.6Confident100 Ų100106.6 Ų106.649%0.49353%0.533SS..Hα-helixtrans-64.2-43.3176.5-173.7-175.174.300111.9R5 K6 K7 L12 V13R5-M9 WeakPolarHBondContact O-CB 3.38Å; R5-M9 PolarHBondContact O-N 3.09Å; K6-M9 WeakPolarHBondContact O-CB 3.39Å; K6-M9 PolarHBondContact O-N 3.33Å; K6-M9 VanDerWaalsContact O-N 3.15Å; K7-M9 VanDerWaalsContact C-N 3.32Å; K7-M9 PolarHBondContact O-N 3.41Å; M9-L12 PolarHBondContact O-N 3.02Å; M9-V13 WeakPolarHBondContact O-CG2 3.37Å; M9-V13 PolarHBondContact O-N 3.02Å
10Y85.1Confident83.3Confident145 Ų145105.9 Ų105.957%0.56953%0.534SS*.Hα-helixtrans-62.1-45.5175.9-67.5-58.8000112.3K6 K7 L12 V13 D14K6-Y10 HydrophobicContact CB-CE2 4.27Å; K6-Y10 WeakPolarHBondContact O-CD2 3.07Å; K6-Y10 PolarHBondContact O-N 3.44Å; K7-Y10 PolarHBondContact O-N 3.04Å; Y10-L12 VanDerWaalsContact C-N 3.29Å; Y10-L12 PolarHBondContact O-N 3.46Å; Y10-V13 PolarHBondContact O-N 3Å; Y10-D14 PolarHBondContact O-N 3.26Å
11V85.9Confident83.9Confident64 Ų64101.7 Ų101.739%0.38852%0.516SS..Hα-helixtrans-60.6-40.6176.2172.90000111.4K7 K8 D14 V15 Y99K7-V11 WeakPolarHBondContact O-CG2 3.32Å; K7-V11 PolarHBondContact O-N 3.43Å; K7-V11 VanDerWaalsContact O-N 3.16Å; K8-V11 PolarHBondContact O-N 3.29Å; V11-D14 PolarHBondContact O-N 3.48Å; V11-V15 VanDerWaalsContact O-CG2 3.32Å; V11-V15 WeakPolarHBondContact O-CG2 3.33Å; V11-V15 PolarHBondContact O-N 3.45Å; V11-Y99 HydrophobicContact CG2-CE1 4.47Å
12L89.9Confident85.8Confident104 Ų10492.4 Ų92.455%0.54547%0.473SS..Hα-helixtrans-62.3-45.6176.4179.765000111.5K8 M9 Y10 D14 V15 M16K8-L12 WeakPolarHBondContact O-CB 3.3Å; K8-L12 PolarHBondContact O-N 2.94Å; M9-L12 PolarHBondContact O-N 3.02Å; Y10-L12 VanDerWaalsContact C-N 3.29Å; Y10-L12 PolarHBondContact O-N 3.46Å; L12-D14 VanDerWaalsContact C-N 3.34Å; L12-D14 PolarHBondContact O-N 3.31Å; L12-V15 PolarHBondContact O-N 3.15Å; L12-M16 HydrophobicContact CG-SD 4.31Å; L12-M16 VanDerWaalsContact O-CG 3.32Å; L12-M16 WeakPolarHBondContact O-CG 3.45Å; L12-M16 PolarHBondContact O-N 3.45Å
13V91.3Very high87.6Confident71 Ų7189.5 Ų89.543%0.4346%0.46SS..Hα-helixtrans-60.3-44.6176.8171.60000110.8M9 Y10 V15 M16 C17M9-V13 WeakPolarHBondContact O-CG2 3.37Å; M9-V13 PolarHBondContact O-N 3.02Å; Y10-V13 PolarHBondContact O-N 3Å; V13-V15 PolarHBondContact O-N 2.75Å; V13-M16 PolarHBondContact O-N 3.21Å; V13-C17 PolarHBondContact O-N 3.16Å; V13-C17 PolarHBondContact O-SG 2.79Å
14D89.7Confident88.7Confident81 Ų8187.3 Ų87.343%0.43345%0.451SS..Hα-helixtrans-60.4-45.3177.9-72.3-13.5000111.7Y10 V11 L12 M16 C17 V18 Y99Y10-D14 PolarHBondContact O-N 3.26Å; V11-D14 PolarHBondContact O-N 3.48Å; L12-D14 VanDerWaalsContact C-N 3.34Å; L12-D14 PolarHBondContact O-N 3.31Å; D14-M16 VanDerWaalsContact C-N 3.35Å; D14-M16 PolarHBondContact O-N 2.97Å; D14-C17 PolarHBondContact O-N 3.34Å; D14-V18 WeakPolarHBondContact O-CG2 3.37Å; D14-V18 PolarHBondContact O-N 3.35Å; D14-Y99 PolarHBondContact OD2-OH 3.05Å
15V90.5Very high89.6Confident86 Ų8685.6 Ų85.652%0.52144%0.439SS..Hα-helixtrans-62.8-41.8176.51720000111.2V11 L12 V13 V18 A19V11-V15 VanDerWaalsContact O-CG2 3.32Å; V11-V15 WeakPolarHBondContact O-CG2 3.33Å; V11-V15 PolarHBondContact O-N 3.45Å; L12-V15 PolarHBondContact O-N 3.15Å; V13-V15 PolarHBondContact O-N 2.75Å; V15-V18 PolarHBondContact O-N 3.48Å; V15-A19 WeakPolarHBondContact O-CB 3.41Å; V15-A19 PolarHBondContact O-N 2.96Å
16M92.9Very high90.4Very high112 Ų11280 Ų8055%0.55242%0.424SS*.Hα-helixtrans-62.9-42.6175.4-73-177.272.900111.8L12 V13 D14 V18 A19 V20L12-M16 HydrophobicContact CG-SD 4.31Å; L12-M16 VanDerWaalsContact O-CG 3.32Å; L12-M16 WeakPolarHBondContact O-CG 3.45Å; L12-M16 PolarHBondContact O-N 3.45Å; V13-M16 PolarHBondContact O-N 3.21Å; D14-M16 VanDerWaalsContact C-N 3.35Å; D14-M16 PolarHBondContact O-N 2.97Å; M16-V18 PolarHBondContact O-N 3.38Å; M16-A19 PolarHBondContact O-N 3.29Å; M16-V20 WeakPolarHBondContact O-CB 3.35Å; M16-V20 VanDerWaalsContact O-CG2 3.29Å; M16-V20 WeakPolarHBondContact O-CG2 3.5Å; M16-V20 PolarHBondContact O-N 2.94Å
17C93.8Very high91.1Very high61 Ų6179.6 Ų79.641%0.41243%0.426SS..Hα-helixtrans-61.1-43.2176.6-73.30000112V13 D14 A21 F107V13-C17 PolarHBondContact O-N 3.16Å; V13-C17 PolarHBondContact O-SG 2.79Å; D14-C17 PolarHBondContact O-N 3.34Å; C17-A21 VanDerWaalsContact O-CB 3.27Å; C17-A21 WeakPolarHBondContact O-CB 3.46Å; C17-A21 PolarHBondContact O-N 3.16Å; C17-F107 HydrophobicContact CB-CE2 4.44Å
18V93.6Very high91.9Very high42 Ų4277.1 Ų77.126%0.25542%0.417SS..Hα-helixtrans-63.3-44.5174.9174.30000110.9D14 V15 M16 A21 A22 F107D14-V18 WeakPolarHBondContact O-CG2 3.37Å; D14-V18 PolarHBondContact O-N 3.35Å; V15-V18 PolarHBondContact O-N 3.48Å; M16-V18 PolarHBondContact O-N 3.38Å; V18-A21 PolarHBondContact O-N 3.48Å; V18-A22 WeakPolarHBondContact O-CB 3.4Å; V18-A22 PolarHBondContact O-N 3.3Å; V18-F107 HydrophobicContact CG2-CB 3.98Å; V18-F107 HydrophobicContact CG2-CD2 4.19Å
19A93.1Very high92.1Very high53 Ų5373.8 Ų73.844%0.43841%0.408SS..Hα-helixtrans-60.5-48.4178.200000111.4V15 M16 A21 A22 L23V15-A19 WeakPolarHBondContact O-CB 3.41Å; V15-A19 PolarHBondContact O-N 2.96Å; M16-A19 PolarHBondContact O-N 3.29Å; A19-A21 VanDerWaalsContact C-N 3.35Å; A19-A21 PolarHBondContact O-N 3.46Å; A19-A22 PolarHBondContact O-N 3.27Å; A19-A22 VanDerWaalsContact O-N 3.11Å; A19-L23 WeakPolarHBondContact O-CG 3.32Å; A19-L23 PolarHBondContact O-N 2.76Å; A19-L23 VanDerWaalsContact O-N 3.12Å
20V95.7Very high92.4Very high92 Ų9275 Ų7556%0.55842%0.421SS*.Hα-helixtrans-60.8-43.6177.1171.90000111.2M16 A22 L23M16-V20 WeakPolarHBondContact O-CB 3.35Å; M16-V20 VanDerWaalsContact O-CG2 3.29Å; M16-V20 WeakPolarHBondContact O-CG2 3.5Å; M16-V20 PolarHBondContact O-N 2.94Å; V20-A22 PolarHBondContact O-N 2.92Å; V20-L23 HydrophobicContact CG2-CD1 4.44Å; V20-L23 WeakPolarHBondContact O-CB 3.47Å; V20-L23 PolarHBondContact O-N 3.36Å; V20-L23 VanDerWaalsContact O-N 3.15Å
21A95.5Very high92.8Very high18 Ų1871.8 Ų71.815%0.14942%0.416CS..Hα-helixtrans-62.3-29176.700000112.9C17 V18 A19 F107 A110 V111 S114C17-A21 VanDerWaalsContact O-CB 3.27Å; C17-A21 WeakPolarHBondContact O-CB 3.46Å; C17-A21 PolarHBondContact O-N 3.16Å; V18-A21 PolarHBondContact O-N 3.48Å; A19-A21 VanDerWaalsContact C-N 3.35Å; A19-A21 PolarHBondContact O-N 3.46Å; A21-F107 HydrophobicContact CB-CD2 4.2Å; A21-F107 HydrophobicContact CB-CE2 3.93Å; A21-A110 HydrophobicContact CB-CB 4.1Å; A21-V111 HydrophobicContact CB-CG2 3.9Å; A21-S114 WeakPolarHBondContact O-CB 3.29Å; A21-S114 PolarHBondContact O-OG 3.39Å
22A95.8Very high93.1Very high20 Ų2071.7 Ų71.717%0.16541%0.411CS..Hα-helixtrans-86.3-12177.200000114V18 A19 V20 F25 L26 A110V18-A22 WeakPolarHBondContact O-CB 3.4Å; V18-A22 PolarHBondContact O-N 3.3Å; A19-A22 PolarHBondContact O-N 3.27Å; A19-A22 VanDerWaalsContact O-N 3.11Å; V20-A22 PolarHBondContact O-N 2.92Å; A22-F25 WeakPolarHBondContact O-CB 3.27Å; A22-F25 PolarHBondContact O-N 3.24Å; A22-L26 WeakPolarHBondContact O-CG 3.4Å; A22-L26 PolarHBondContact O-N 2.86Å; A22-A110 HydrophobicContact CB-CB 4.04Å
23L95.3Very high93.3Very high84 Ų8476.6 Ų76.644%0.4442%0.422SS..Hα-helixtrans-56.8-46.3-176.2-74.1175.6000113.6A19 V20 F25 L26 I27A19-L23 WeakPolarHBondContact O-CG 3.32Å; A19-L23 PolarHBondContact O-N 2.76Å; A19-L23 VanDerWaalsContact O-N 3.12Å; V20-L23 HydrophobicContact CG2-CD1 4.44Å; V20-L23 WeakPolarHBondContact O-CB 3.47Å; V20-L23 PolarHBondContact O-N 3.36Å; V20-L23 VanDerWaalsContact O-N 3.15Å; L23-F25 VanDerWaalsContact C-N 3.33Å; L23-F25 PolarHBondContact O-N 3.15Å; L23-L26 PolarHBondContact O-N 2.86Å; L23-I27 HydrophobicContact CB-CD1 4.39Å; L23-I27 WeakPolarHBondContact O-CB 3.29Å; L23-I27 VanDerWaalsContact O-CG1 3.25Å; L23-I27 WeakPolarHBondContact O-CG1 3.48Å; L23-I27 PolarHBondContact O-N 3.48Å
24P94.4Very high93.4Very high50 Ų5074 Ų7433%0.32541%0.407SS..Hα-helixtrans-59.4-43.9179.2-22.732.7000112.4L26 I27 M28 S114P24-L26 PolarHBondContact O-N 3.28Å; P24-I27 PolarHBondContact O-N 2.91Å; P24-M28 WeakPolarHBondContact O-CB 3.44Å; P24-M28 WeakPolarHBondContact O-CG 3.41Å; P24-M28 PolarHBondContact O-N 3.38Å; P24-S114 WeakPolarHBondContact CD-OG 3.32Å
25F93.8Very high93.6Very high68 Ų6877 Ų7730%0.29841%0.413SS..Hα-helixtrans-56.2-49.1173.8165.6-100.6000111.9A22 L23 T29 Q113 S114 D117A22-F25 WeakPolarHBondContact O-CB 3.27Å; A22-F25 PolarHBondContact O-N 3.24Å; L23-F25 VanDerWaalsContact C-N 3.33Å; L23-F25 PolarHBondContact O-N 3.15Å; F25-T29 WeakPolarHBondContact O-CB 3.48Å; F25-T29 PolarHBondContact O-N 3.45Å; F25-T29 PolarHBondContact O-OG1 3.33Å; F25-Q113 HydrophobicContact CD2-CB 3.97Å; F25-Q113 HydrophobicContact CG-CB 4.31Å; F25-S114 WeakPolarHBondContact CB-OG 3.12Å; F25-S114 PolarHBondContact N-OG 3.47Å; F25-D117 WeakPolarHBondContact CD2-OD2 3.37Å; F25-D117 WeakPolarHBondContact CE2-OD2 3.44Å
26L94.2Very high93.7Very high89 Ų8977.8 Ų77.847%0.46641%0.414SS..Hα-helixtrans-64-47.6-179.7-67.4173.8000112.1A22 L23 P24 M28 T29 V30A22-L26 WeakPolarHBondContact O-CG 3.4Å; A22-L26 PolarHBondContact O-N 2.86Å; L23-L26 PolarHBondContact O-N 2.86Å; P24-L26 PolarHBondContact O-N 3.28Å; L26-M28 PolarHBondContact O-N 3.29Å; L26-T29 PolarHBondContact O-N 3.22Å; L26-V30 WeakPolarHBondContact O-CG2 3.49Å; L26-V30 PolarHBondContact O-N 3.02Å
27I95.2Very high93.6Very high96 Ų9676 Ų7649%0.49240%0.401SS..Hα-helixtrans-60.8-48.4-179.4-68.3165.7000110.1L23 P24 T29 V30 V31L23-I27 HydrophobicContact CB-CD1 4.39Å; L23-I27 WeakPolarHBondContact O-CB 3.29Å; L23-I27 VanDerWaalsContact O-CG1 3.25Å; L23-I27 WeakPolarHBondContact O-CG1 3.48Å; L23-I27 PolarHBondContact O-N 3.48Å; P24-I27 PolarHBondContact O-N 2.91Å; I27-T29 VanDerWaalsContact C-N 3.33Å; I27-T29 PolarHBondContact O-N 2.93Å; I27-V30 PolarHBondContact O-N 3.48Å; I27-V31 HydrophobicContact CG2-CG2 4.09Å; I27-V31 WeakPolarHBondContact O-CB 3.37Å; I27-V31 VanDerWaalsContact O-CG2 3.29Å; I27-V31 WeakPolarHBondContact O-CG2 3.25Å; I27-V31 PolarHBondContact O-N 3.01Å
28M92.8Very high93.5Very high44 Ų4473.7 Ų73.722%0.21739%0.387CS..Hα-helixtrans-65.1-37.5-178.8-70.1-59.8-176.700112.3P24 L26 V30 F32 D117 L118 F121P24-M28 WeakPolarHBondContact O-CB 3.44Å; P24-M28 WeakPolarHBondContact O-CG 3.41Å; P24-M28 PolarHBondContact O-N 3.38Å; L26-M28 PolarHBondContact O-N 3.29Å; M28-V30 VanDerWaalsContact C-N 3.34Å; M28-V30 PolarHBondContact O-N 3.39Å; M28-F32 PolarHBondContact O-N 3.5Å; M28-D117 HydrophobicContact CB-CB 4.23Å; M28-L118 HydrophobicContact CE-CD1 3.82Å; M28-F121 HydrophobicContact CB-CD2 3.61Å; M28-F121 HydrophobicContact CB-CE2 3.84Å; M28-F121 HydrophobicContact CB-CG 4.17Å; M28-F121 HydrophobicContact CE-CB 4.39Å; M28-F121 HydrophobicContact CG-CB 4.42Å; M28-F121 HydrophobicContact CG-CD2 4.11Å; M28-F121 HydrophobicContact CG-CG 4.38Å; M28-F121 WeakPolarHBondContact O-CZ 3.3Å; M28-F121 HydrophobicContact SD-CB 3.67Å; M28-F121 HydrophobicContact SD-CD2 4.3Å; M28-F121 HydrophobicContact SD-CG 3.96Å
29T89.8Confident93.6Very high70 Ų7072 Ų7243%0.42938%0.377SS..Hα-helixtrans-64.1-38.4174.9-61.80000112.1F25 L26 I27F25-T29 WeakPolarHBondContact O-CB 3.48Å; F25-T29 PolarHBondContact O-N 3.45Å; F25-T29 PolarHBondContact O-OG1 3.33Å; L26-T29 PolarHBondContact O-N 3.22Å; I27-T29 VanDerWaalsContact C-N 3.33Å; I27-T29 PolarHBondContact O-N 2.93Å
30V92.6Very high93.7Very high125 Ų12576.3 Ų76.376%0.75838%0.383SS*.Hα-helixtrans-75.9-44.4179.11720000111.9L26 I27 M28L26-V30 WeakPolarHBondContact O-CG2 3.49Å; L26-V30 PolarHBondContact O-N 3.02Å; I27-V30 PolarHBondContact O-N 3.48Å; M28-V30 VanDerWaalsContact C-N 3.34Å; M28-V30 PolarHBondContact O-N 3.39Å
31V93Very high93.6Very high77 Ų7772.2 Ų72.247%0.46736%0.358SS..Hα-helixtrans-68.5-38.9-178.5172.20000110.8I27 R33I27-V31 HydrophobicContact CG2-CG2 4.09Å; I27-V31 WeakPolarHBondContact O-CB 3.37Å; I27-V31 VanDerWaalsContact O-CG2 3.29Å; I27-V31 WeakPolarHBondContact O-CG2 3.25Å; I27-V31 PolarHBondContact O-N 3.01Å; V31-R33 HydrophobicContact CG1-CB 4.09Å; V31-R33 WeakPolarHBondContact O-CG 3.41Å; V31-R33 PolarHBondContact O-N 2.91Å; V31-R33 VanDerWaalsContact O-N 3.07Å
32F93.1Very high93.6Very high62 Ų6277.1 Ų77.127%0.27238%0.382SS..  trans46.738.7174.9-155.3-106.1000114.7M28 F121 R153 T156 E157 L160M28-F32 PolarHBondContact O-N 3.5Å; F32-F121 HydrophobicContact CD2-CE1 4.34Å; F32-F121 AromaticContact CD2-CZ 3.95Å; F32-F121 HydrophobicContact CD2-CZ 3.95Å; F32-F121 HydrophobicContact CE2-CZ 4.4Å; F32-R153 HydrophobicContact CE1-CG 4.04Å; F32-R153 HydrophobicContact CZ-CG 4.4Å; F32-T156 HydrophobicContact CD1-CG2 3.84Å; F32-T156 HydrophobicContact CE1-CG2 3.56Å; F32-T156 HydrophobicContact CZ-CG2 4.17Å; F32-E157 HydrophobicContact CZ-CG 4.42Å; F32-L160 HydrophobicContact CE2-CD1 4.27Å
33R92.9Very high93.6Very high207 Ų20778.4 Ų78.478%0.78139%0.386SS*.  trans-12899.8179.2-72.6177.1-175-158.61.5110.2V31V31-R33 HydrophobicContact CG1-CB 4.09Å; V31-R33 WeakPolarHBondContact O-CG 3.41Å; V31-R33 PolarHBondContact O-N 2.91Å; V31-R33 VanDerWaalsContact O-N 3.07Å
34P93.4Very high93.6Very high17 Ų1780.2 Ų80.211%0.1139%0.392CS..  trans-78.5161.8176.528.8-30.6000112.5L36 F121 T156 R159 L160P34-L36 PolarHBondContact O-N 3.26Å; P34-F121 WeakPolarHBondContact CA-O 3.28Å; P34-F121 HydrophobicContact CB-CD1 3.99Å; P34-T156 VanDerWaalsContact CD-CG2 3.5Å; P34-T156 HydrophobicContact CG-CG2 3.91Å; P34-R159 HydrophobicContact CG-CB 4.33Å; P34-L160 HydrophobicContact CB-CD2 3.55Å; P34-L160 HydrophobicContact CG-CD2 3.91Å
35Y93.4Very high93.7Very high145 Ų14582.1 Ų82.157%0.56940%0.399SS*.  trans-54.5127.8164.1-180-108.6000110.7R37 F121 S122 G124Y35-R37 HydrophobicContact CD1-CB 4.21Å; Y35-R37 HydrophobicContact CE1-CB 3.95Å; Y35-R37 PolarHBondContact O-N 3.47Å; Y35-F121 PolarHBondContact N-O 3.46Å; Y35-S122 VanDerWaalsContact CB-O 3.29Å; Y35-S122 WeakPolarHBondContact CB-O 3.27Å; Y35-G124 WeakPolarHBondContact O-CA 3.4Å
36L92.5Very high93.8Very high102 Ų10278.9 Ų78.953%0.53439%0.385SS..  trans-91.298.7178.8-66.8177000109.4P34P34-L36 PolarHBondContact O-N 3.26Å
37R91.6Very high94Very high75 Ų7578.3 Ų78.328%0.28338%0.379SS..  trans-87.1141.9168.180.5-178.2-144.8-177.5-0.7110.8Y35 G124 R159Y35-R37 HydrophobicContact CD1-CB 4.21Å; Y35-R37 HydrophobicContact CE1-CB 3.95Å; Y35-R37 PolarHBondContact O-N 3.47Å; R37-G124 WeakPolarHBondContact CD-O 3.25Å; R37-G124 WeakPolarHBondContact CG-O 3.43Å; R37-R159 PolarHBondContact O-NH1 2.87Å
38G92.3Very high94Very high12 Ų1278.2 Ų78.212%0.12437%0.373CS..  trans-68.2159.7172.100000112.5Y142 V143G38-Y142 WeakPolarHBondContact CA-OH 3.32Å; G38-V143 CarbonylContact C-O 3.55Å; G38-V143 WeakPolarHBondContact CA-O 3.1Å
39V95.3Very high94.2Very high6 Ų679.7 Ų79.74%0.03639%0.386CS..EExtended strand (participates in β ladder)trans-129.3149.4-175.3-63.10000110.6I46 P126 F130 V143 I146V39-I46 HydrophobicContact CB-CD1 4.15Å; V39-I46 HydrophobicContact CG1-CD1 4.39Å; V39-P126 HydrophobicContact CG1-CG 3.67Å; V39-F130 HydrophobicContact CG1-CE1 4.24Å; V39-F130 HydrophobicContact CG2-CE1 4.32Å; V39-V143 PolarHBondContact N-O 3.21Å; V39-V143 PolarHBondContact O-N 2.85Å; V39-I146 HydrophobicContact CG2-CD1 4.08Å
40Y95.8Very high94.5Very high143 Ų14381.4 Ų81.456%0.56139%0.392SS*.EExtended strand (participates in β ladder)trans-92.3128.4169.1-71.5-89.4000108.8D42 D43 Y142Y40-D42 PolarHBondContact O-N 3.08Å; Y40-D43 WeakPolarHBondContact O-CB 3.3Å; Y40-D43 PolarHBondContact O-N 2.81Å; Y40-Y142 HydrophobicContact CD1-CD2 4.18Å; Y40-Y142 AromaticContact CD2-CD2 3.89Å; Y40-Y142 HydrophobicContact CD2-CD2 3.89Å; Y40-Y142 HydrophobicContact CD2-CE2 4.49Å; Y40-Y142 AromaticContact CE1-CD2 3.9Å; Y40-Y142 HydrophobicContact CE1-CD2 3.9Å; Y40-Y142 HydrophobicContact CE1-CG 4.19Å; Y40-Y142 AromaticContact CE2-CD2 3.58Å; Y40-Y142 HydrophobicContact CE2-CD2 3.58Å; Y40-Y142 HydrophobicContact CE2-CE2 4.07Å; Y40-Y142 HydrophobicContact CG-CD2 4.18Å; Y40-Y142 AromaticContact CZ-CD2 3.58Å
41C93.9Very high94.6Very high7 Ų779.3 Ų79.35%0.04737%0.373CS..THydrogen-bonded Turntrans-66.2-23.8-179.2-59.70000113D43 K47 M131 C139 K140 G141C41-D43 VanDerWaalsContact C-N 3.34Å; C41-K47 WeakPolarHBondContact O-CE 3.46Å; C41-K47 PolarHBondContact O-NZ 3.01Å; C41-M131 HydrophobicContact CB-CE 4.43Å; C41-C139 HydrophobicContact CB-CB 3.74Å; C41-C139 WeakPolarHBondContact CB-SG 3.49Å; C41-C139 WeakPolarHBondContact SG-CA 3.04Å; C41-C139 WeakPolarHBondContact SG-CB 3.5Å; C41-C139 CovalentContact SG-SG 2.02Å; C41-C139 PolarHBondContact SG-SG 3.24Å; C41-K140 PolarHBondContact SG-N 3.16Å; C41-G141 PolarHBondContact N-O 2.94Å; C41-G141 PolarHBondContact SG-O 3.07Å; C41-G141 VanDerWaalsContact SG-O 3.32Å
42D94.5Very high94.8Very high120 Ų12081 Ų8164%0.64239%0.385SS*.THydrogen-bonded Turntrans-92.87.1179.7-57.2-48000113Y40 E44Y40-D42 PolarHBondContact O-N 3.08Å; D42-E44 PolarHBondContact O-N 3.35Å
43D96.1Very high94.9Very high47 Ų4781 Ų8125%0.25139%0.388SS..  trans-73.8108.3177.8-175.2-8.1000110.8Y40 C41 D45 I46 K47Y40-D43 WeakPolarHBondContact O-CB 3.3Å; Y40-D43 PolarHBondContact O-N 2.81Å; C41-D43 VanDerWaalsContact C-N 3.34Å; D43-D45 VanDerWaalsContact C-N 3.27Å; D43-D45 PolarHBondContact O-N 3.17Å; D43-D45 VanDerWaalsContact OD1-CB 3.31Å; D43-D45 WeakPolarHBondContact OD1-CB 3.46Å; D43-D45 PolarHBondContact OD1-N 3.27Å; D43-I46 HydrophobicContact CB-CD1 4.02Å; D43-I46 HydrophobicContact CB-CG1 3.82Å; D43-I46 VanDerWaalsContact O-CG1 3.28Å; D43-I46 WeakPolarHBondContact O-CG1 3.48Å; D43-K47 WeakPolarHBondContact O-CE 3.12Å; D43-K47 WeakPolarHBondContact O-CG 3.46Å
44E95.5Very high95.1Very high123 Ų12374.5 Ų74.558%0.57537%0.371SS*.G310 helixtrans-69.1-24.4179.1-63.3-55.6130.900112.8D42 I46 K47D42-E44 PolarHBondContact O-N 3.35Å; E44-I46 PolarHBondContact O-N 3.24Å; E44-I46 VanDerWaalsContact O-N 3.11Å; E44-K47 PolarHBondContact O-N 3.13Å; E44-K47 IonicContact OE1-NZ 3.62Å; E44-K47 PolarHBondContact OE1-NZ 2.87Å
45D96.3Very high95.2Very high89 Ų8974.3 Ų74.348%0.47637%0.369SS..G310 helixtrans-68.7-13.9-178.1-71.5-25.6000112.4D43 P128 H219D43-D45 VanDerWaalsContact C-N 3.27Å; D43-D45 PolarHBondContact O-N 3.17Å; D43-D45 VanDerWaalsContact OD1-CB 3.31Å; D43-D45 WeakPolarHBondContact OD1-CB 3.46Å; D43-D45 PolarHBondContact OD1-N 3.27Å; D45-P128 WeakPolarHBondContact O-CA 3.43Å; D45-P128 WeakPolarHBondContact O-CB 3.5Å; D45-H219 PolarHBondContact O-CE1 2.91Å
46I96.8Very high95.4Very high1 Ų170.7 Ų70.71%0.00536%0.363CS..G310 helixtrans-117.49.7-177.864.1168.4000114.1V39 D43 E44 P126 P128 F130 M131V39-I46 HydrophobicContact CB-CD1 4.15Å; V39-I46 HydrophobicContact CG1-CD1 4.39Å; D43-I46 HydrophobicContact CB-CD1 4.02Å; D43-I46 HydrophobicContact CB-CG1 3.82Å; D43-I46 VanDerWaalsContact O-CG1 3.28Å; D43-I46 WeakPolarHBondContact O-CG1 3.48Å; E44-I46 PolarHBondContact O-N 3.24Å; E44-I46 VanDerWaalsContact O-N 3.11Å; I46-P126 HydrophobicContact CG2-CB 4.01Å; I46-P128 CarbonylContact C-O 2.88Å; I46-P128 WeakPolarHBondContact CA-O 3.36Å; I46-P128 VanDerWaalsContact O-O 3.07Å; I46-F130 HydrophobicContact CB-CB 4.33Å; I46-F130 HydrophobicContact CD1-CD1 4.26Å; I46-F130 PolarHBondContact O-N 3.31Å; I46-M131 HydrophobicContact CB-CG 4.43Å; I46-M131 HydrophobicContact CD1-CG 3.9Å; I46-M131 HydrophobicContact CD1-SD 4.12Å; I46-M131 HydrophobicContact CG1-CG 3.82Å; I46-M131 VanDerWaalsContact O-CB 3.31Å; I46-M131 WeakPolarHBondContact O-CB 3.32Å; I46-M131 VanDerWaalsContact O-CG 3.23Å; I46-M131 WeakPolarHBondContact O-CG 3.18Å; I46-M131 PolarHBondContact O-N 2.84Å
47K96.4Very high95.4Very high76 Ų7670.7 Ų70.733%0.3336%0.36SS..  trans-102.59.2-177.9-72.6176.7-170177.50114.8C41 D43 E44 P128 M131C41-K47 WeakPolarHBondContact O-CE 3.46Å; C41-K47 PolarHBondContact O-NZ 3.01Å; D43-K47 WeakPolarHBondContact O-CE 3.12Å; D43-K47 WeakPolarHBondContact O-CG 3.46Å; E44-K47 PolarHBondContact O-N 3.13Å; E44-K47 IonicContact OE1-NZ 3.62Å; E44-K47 PolarHBondContact OE1-NZ 2.87Å; K47-P128 PolarHBondContact N-O 3.17Å; K47-M131 HydrophobicContact CG-CB 4.28Å; K47-M131 HydrophobicContact CG-CG 4.05Å
48Y97.1Very high95.5Very high95 Ų9569.6 Ų69.637%0.37337%0.371SS..PPolyproline II helixtrans-65.3150.6179.7-72.6-101.3000111.9P128 N129 Y216Y48-P128 WeakPolarHBondContact CB-O 3.08Å; Y48-P128 HydrophobicContact CD2-CB 3.83Å; Y48-P128 HydrophobicContact CG-CB 4.16Å; Y48-P128 PolarHBondContact N-O 3.46Å; Y48-N129 WeakPolarHBondContact O-CA 3.37Å; Y48-Y216 AromaticContact CD1-CD1 3.37Å; Y48-Y216 HydrophobicContact CD1-CD1 3.37Å; Y48-Y216 HydrophobicContact CD1-CD2 4.04Å; Y48-Y216 AromaticContact CD1-CE1 3.27Å; Y48-Y216 HydrophobicContact CD1-CE1 3.27Å; Y48-Y216 AromaticContact CD1-CE2 3.93Å; Y48-Y216 HydrophobicContact CD1-CE2 3.93Å; Y48-Y216 AromaticContact CD1-CG 3.78Å; Y48-Y216 HydrophobicContact CD1-CG 3.78Å; Y48-Y216 AromaticContact CD1-CZ 3.57Å; Y48-Y216 AromaticContact CE1-CD1 3.95Å; Y48-Y216 HydrophobicContact CE1-CD1 3.95Å; Y48-Y216 AromaticContact CE1-CE1 3.58Å; Y48-Y216 HydrophobicContact CE1-CE1 3.58Å; Y48-Y216 AromaticContact CG-CD1 3.91Å; Y48-Y216 HydrophobicContact CG-CD1 3.91Å; Y48-Y216 HydrophobicContact CG-CD2 4.42Å; Y48-Y216 HydrophobicContact CG-CE1 4.26Å; Y48-Y216 HydrophobicContact CG-CG 4.02Å
49P96.6Very high95.7Very high75 Ų7572.7 Ų72.749%0.48739%0.385SS..PPolyproline II helixtrans-68.4153.8179.828.8-35.6000111.8K51 Y216P49-K51 PolarHBondContact O-N 2.94Å; P49-Y216 HydrophobicContact CG-CD2 4.17Å; P49-Y216 HydrophobicContact CG-CE2 3.96Å
50L95.1Very high95.7Very high106 Ų10672.5 Ų72.556%0.55538%0.383SS*.PPolyproline II helixtrans-69.1123172.7-177.162.6000110.2V133L50-V133 HydrophobicContact CD1-CG2 3.9Å
51K95.8Very high95.6Very high80 Ų8067.2 Ų67.235%0.34837%0.37SS..  trans-117.5149.1172.7-75.8-173.9173.8175.20112P49 Y216 K217P49-K51 PolarHBondContact O-N 2.94Å; K51-Y216 HydrophobicContact CD-CD2 3.77Å; K51-Y216 HydrophobicContact CD-CE2 3.74Å; K51-Y216 VanDerWaalsContact CE-CE2 3.46Å; K51-Y216 HydrophobicContact CG-CD2 4.15Å; K51-Y216 HydrophobicContact CG-CE2 4.43Å; K51-K217 WeakPolarHBondContact O-CE 3.15Å; K51-K217 PolarHBondContact O-NZ 3.1Å
52P95.6Very high95.7Very high112 Ų11269.4 Ų69.473%0.72739%0.388SS*.  trans-66157.1170.430.1-34.7000110.7
53D95.1Very high95.7Very high63 Ų6365.8 Ų65.834%0.33737%0.37SS..  trans-78120.7177.3-69.7-80000110.7T56 R212 K217D53-T56 HydrophobicContact CB-CG2 4.32Å; D53-R212 IonicContact OD1-CZ 3.79Å; D53-R212 IonicContact OD1-NH1 3.56Å; D53-R212 PolarHBondContact OD1-NH1 3.08Å; D53-R212 IonicContact OD1-NH2 3.62Å; D53-K217 WeakPolarHBondContact OD1-CD 3.47Å; D53-K217 WeakPolarHBondContact OD1-CE 3.36Å; D53-K217 WeakPolarHBondContact OD1-CG 3.2Å; D53-K217 IonicContact OD1-NZ 3.43Å; D53-K217 PolarHBondContact OD1-NZ 2.76Å; D53-K217 IonicContact OD2-NZ 2.85Å; D53-K217 PolarHBondContact OD2-NZ 2.86Å
54T97.2Very high95.7Very high70 Ų7063.7 Ų63.743%0.42936%0.359SS..SBendtrans-63.2-45.9172.2-61.60000110.4T211 D215T54-T211 HydrophobicContact CG2-CG2 3.73Å; T54-D215 WeakPolarHBondContact CB-OD2 3.38Å; T54-D215 PolarHBondContact N-OD2 3.02Å; T54-D215 PolarHBondContact OG1-OD1 3.17Å; T54-D215 PolarHBondContact OG1-OD2 3.08Å
55I96.5Very high95.5Very high13 Ų1362.7 Ų62.77%0.06736%0.356CS..SBendtrans-111.7113.7171.1-57.7-61.8000109L59 L60 Y207 V208 T211 R212I55-L59 HydrophobicContact CD1-CD2 3.85Å; I55-L60 HydrophobicContact CG2-CB 3.98Å; I55-Y207 HydrophobicContact CD1-CE1 4.21Å; I55-Y207 HydrophobicContact CG1-CE1 4.47Å; I55-V208 HydrophobicContact CG1-CG2 4.46Å; I55-V208 HydrophobicContact CG2-CG2 4.37Å; I55-T211 HydrophobicContact CG1-CG2 4.16Å; I55-R212 PolarHBondContact O-NH1 3.4Å; I55-R212 PolarHBondContact O-NH2 2.85Å
56T96.7Very high95.5Very high70 Ų7061.4 Ų61.443%0.42936%0.355SS..  trans-78.3158.6173.866.30000110.9D53 G58 L59 L60D53-T56 HydrophobicContact CB-CG2 4.32Å; T56-G58 PolarHBondContact O-N 2.96Å; T56-L59 PolarHBondContact O-N 3.43Å; T56-L59 WeakPolarHBondContact OG1-CB 3.44Å; T56-L59 PolarHBondContact OG1-N 3.02Å; T56-L59 VanDerWaalsContact OG1-N 3.08Å; T56-L60 PolarHBondContact O-N 3.33Å
57H92.4Very high95.4Very high102 Ų10263.2 Ų63.247%0.47237%0.367SS..Hα-helixtrans-54.3-40.7172-88.5-71.4000112L60 A61 H166H57-L60 PolarHBondContact O-N 3.19Å; H57-A61 WeakPolarHBondContact O-CB 3.44Å; H57-A61 PolarHBondContact O-N 3.03Å; H57-H166 AromaticContact CD2-CE1 3.19Å; H57-H166 PolarHBondContact CD2-CE1 3.31Å; H57-H166 AromaticContact CD2-NE2 3.55Å; H57-H166 AromaticContact CE1-CE1 3.25Å; H57-H166 PolarHBondContact CE1-CE1 3.44Å; H57-H166 AromaticContact CE1-ND1 3.57Å; H57-H166 AromaticContact CE1-NE2 3.73Å; H57-H166 AromaticContact CG-CE1 3.54Å; H57-H166 AromaticContact CG-NE2 3.45Å; H57-H166 PolarHBondContact N-NE2 2.92Å; H57-H166 AromaticContact ND1-CE1 3.58Å; H57-H166 AromaticContact ND1-NE2 3.57Å; H57-H166 AromaticContact NE2-CE1 2.98Å; H57-H166 PolarHBondContact NE2-CE1 2.98Å; H57-H166 AromaticContact NE2-ND1 3.58Å; H57-H166 AromaticContact NE2-NE2 3.72Å
58G94.3Very high95.3Very high51 Ų5159.9 Ų59.953%0.52635%0.353SS..Hα-helixtrans-64.8-43.3177.200000112.8T56 A61 A62T56-G58 PolarHBondContact O-N 2.96Å; G58-A61 PolarHBondContact O-N 3.27Å; G58-A62 WeakPolarHBondContact O-CB 3.43Å; G58-A62 PolarHBondContact O-N 3.12Å
59L96.2Very high95.1Very high77 Ų7759.3 Ų59.340%0.40336%0.359SS..Hα-helixtrans-64.6-43.6176.6179.860.1000111.6I55 T56 A61 A62 V63I55-L59 HydrophobicContact CD1-CD2 3.85Å; T56-L59 PolarHBondContact O-N 3.43Å; T56-L59 WeakPolarHBondContact OG1-CB 3.44Å; T56-L59 PolarHBondContact OG1-N 3.02Å; T56-L59 VanDerWaalsContact OG1-N 3.08Å; L59-A61 VanDerWaalsContact C-N 3.34Å; L59-A61 PolarHBondContact O-N 2.91Å; L59-A62 PolarHBondContact O-N 3.11Å; L59-V63 HydrophobicContact CD1-CG2 4.08Å; L59-V63 WeakPolarHBondContact O-CG2 3.48Å; L59-V63 PolarHBondContact O-N 3.46Å
60L96.7Very high95Very high2 Ų261 Ų611%0.0136%0.363CS..Hα-helixtrans-59-46.2175.4178.559.4000111.3I55 T56 H57 T64 H166 F169 F204 V208I55-L60 HydrophobicContact CG2-CB 3.98Å; T56-L60 PolarHBondContact O-N 3.33Å; H57-L60 PolarHBondContact O-N 3.19Å; L60-T64 HydrophobicContact CD1-CG2 3.83Å; L60-T64 HydrophobicContact CG-CG2 4.37Å; L60-T64 WeakPolarHBondContact O-CB 3.36Å; L60-T64 WeakPolarHBondContact O-CG2 3.46Å; L60-T64 PolarHBondContact O-N 3.15Å; L60-T64 PolarHBondContact O-OG1 3.28Å; L60-H166 HydrophobicContact CD2-CB 4.13Å; L60-F169 HydrophobicContact CD2-CD1 3.9Å; L60-F169 HydrophobicContact CG-CD1 4.03Å; L60-F169 HydrophobicContact CG-CE1 4.47Å; L60-F204 HydrophobicContact CD1-CE1 4.09Å; L60-F204 HydrophobicContact CD1-CZ 4.43Å; L60-V208 HydrophobicContact CD1-CG1 4.21Å; L60-V208 HydrophobicContact CD1-CG2 3.99Å; L60-V208 HydrophobicContact CD2-CG1 4.22Å
61A93.6Very high94.9Very high33 Ų3357.4 Ų57.427%0.27334%0.344SS..Hα-helixtrans-61.7-47176.400000111.6H57 G58 L59 V63 T64 I65H57-A61 WeakPolarHBondContact O-CB 3.44Å; H57-A61 PolarHBondContact O-N 3.03Å; G58-A61 PolarHBondContact O-N 3.27Å; L59-A61 VanDerWaalsContact C-N 3.34Å; L59-A61 PolarHBondContact O-N 2.91Å; A61-V63 PolarHBondContact O-N 2.87Å; A61-T64 WeakPolarHBondContact CA-OG1 3.27Å; A61-T64 PolarHBondContact O-N 3.43Å; A61-T64 PolarHBondContact O-OG1 3.02Å; A61-I65 HydrophobicContact CB-CD1 4.43Å; A61-I65 VanDerWaalsContact O-CB 3.28Å; A61-I65 WeakPolarHBondContact O-CB 3.4Å; A61-I65 WeakPolarHBondContact O-CD1 3.29Å; A61-I65 WeakPolarHBondContact O-CG1 3.4Å; A61-I65 PolarHBondContact O-N 2.97Å
62A95.4Very high94.8Very high52 Ų5253.6 Ų53.643%0.4333%0.328SS..Hα-helixtrans-59.2-47.7179.900000112.2G58 L59 S66G58-A62 WeakPolarHBondContact O-CB 3.43Å; G58-A62 PolarHBondContact O-N 3.12Å; L59-A62 PolarHBondContact O-N 3.11Å; A62-S66 VanDerWaalsContact O-CB 3.23Å; A62-S66 WeakPolarHBondContact O-CB 3.33Å; A62-S66 PolarHBondContact O-N 3.43Å; A62-S66 PolarHBondContact O-OG 3.46Å
63V95.3Very high94.5Very high45 Ų4550 Ų5027%0.27331%0.305SS..Hα-helixtrans-65.7-48.9178.7174.90000110.9L59 A61 I65 S66 C67 F204L59-V63 HydrophobicContact CD1-CG2 4.08Å; L59-V63 WeakPolarHBondContact O-CG2 3.48Å; L59-V63 PolarHBondContact O-N 3.46Å; A61-V63 PolarHBondContact O-N 2.87Å; V63-I65 PolarHBondContact O-N 2.62Å; V63-S66 PolarHBondContact O-N 3.39Å; V63-C67 WeakPolarHBondContact O-CB 3.34Å; V63-C67 PolarHBondContact O-N 3.34Å; V63-C67 PolarHBondContact O-SG 3.47Å; V63-F204 HydrophobicContact CB-CE1 4.33Å; V63-F204 HydrophobicContact CB-CZ 3.99Å; V63-F204 HydrophobicContact CG1-CD1 4.43Å; V63-F204 HydrophobicContact CG1-CE1 3.71Å; V63-F204 HydrophobicContact CG1-CE2 4.18Å; V63-F204 HydrophobicContact CG1-CZ 3.57Å; V63-F204 HydrophobicContact CG2-CZ 4.37Å
64T94.2Very high94.3Very high2 Ų250.2 Ų50.21%0.01231%0.311CS..Hα-helixtrans-62.1-44.9-178.452.80000112.4L60 A61 T68 F169 C173 M174L60-T64 HydrophobicContact CD1-CG2 3.83Å; L60-T64 HydrophobicContact CG-CG2 4.37Å; L60-T64 WeakPolarHBondContact O-CB 3.36Å; L60-T64 WeakPolarHBondContact O-CG2 3.46Å; L60-T64 PolarHBondContact O-N 3.15Å; L60-T64 PolarHBondContact O-OG1 3.28Å; A61-T64 WeakPolarHBondContact CA-OG1 3.27Å; A61-T64 PolarHBondContact O-N 3.43Å; A61-T64 PolarHBondContact O-OG1 3.02Å; T64-T68 VanDerWaalsContact O-CB 3.26Å; T64-T68 WeakPolarHBondContact O-CB 3.46Å; T64-T68 PolarHBondContact O-N 3.07Å; T64-T68 PolarHBondContact O-OG1 2.89Å; T64-F169 HydrophobicContact CG2-CE1 4.24Å; T64-C173 HydrophobicContact CG2-CB 3.93Å; T64-M174 HydrophobicContact CG2-CE 3.46Å; T64-M174 VanDerWaalsContact CG2-CE 3.46Å
65I92.9Very high93.8Very high102 Ų10247.6 Ų47.652%0.52330%0.299SS..Hα-helixtrans-63.6-47.3177.3-67.9167.3000110.1A61 V63 C67 T68 V69A61-I65 HydrophobicContact CB-CD1 4.43Å; A61-I65 VanDerWaalsContact O-CB 3.28Å; A61-I65 WeakPolarHBondContact O-CB 3.4Å; A61-I65 WeakPolarHBondContact O-CD1 3.29Å; A61-I65 WeakPolarHBondContact O-CG1 3.4Å; A61-I65 PolarHBondContact O-N 2.97Å; V63-I65 PolarHBondContact O-N 2.62Å; I65-C67 PolarHBondContact O-N 3.33Å; I65-T68 WeakPolarHBondContact O-CB 3.5Å; I65-T68 PolarHBondContact O-N 2.8Å; I65-V69 HydrophobicContact CG2-CG2 4.36Å; I65-V69 WeakPolarHBondContact O-CG2 3.17Å; I65-V69 PolarHBondContact O-N 2.9Å
66S94.8Very high93.4Very high63 Ų6347 Ų4744%0.44130%0.295SS..Hα-helixtrans-60.4-48.3179.9-58.60000111.7A62 V63 T68 V69 I70A62-S66 VanDerWaalsContact O-CB 3.23Å; A62-S66 WeakPolarHBondContact O-CB 3.33Å; A62-S66 PolarHBondContact O-N 3.43Å; A62-S66 PolarHBondContact O-OG 3.46Å; V63-S66 PolarHBondContact O-N 3.39Å; S66-T68 VanDerWaalsContact C-N 3.32Å; S66-T68 PolarHBondContact O-N 2.99Å; S66-V69 PolarHBondContact O-N 3.48Å; S66-I70 WeakPolarHBondContact O-CB 3.37Å; S66-I70 VanDerWaalsContact O-CG1 3.26Å; S66-I70 WeakPolarHBondContact O-CG1 3.44Å; S66-I70 PolarHBondContact O-N 3.39Å
67C95Very high92.8Very high39 Ų3945.7 Ų45.726%0.26429%0.292SS..Hα-helixtrans-60-42.1175.5-70.80000112V63 I65 I70 I71 M174 L177V63-C67 WeakPolarHBondContact O-CB 3.34Å; V63-C67 PolarHBondContact O-N 3.34Å; V63-C67 PolarHBondContact O-SG 3.47Å; I65-C67 PolarHBondContact O-N 3.33Å; C67-I70 PolarHBondContact O-N 2.91Å; C67-I71 VanDerWaalsContact O-CB 3.29Å; C67-I71 WeakPolarHBondContact O-CB 3.07Å; C67-I71 VanDerWaalsContact O-CG1 3.3Å; C67-I71 WeakPolarHBondContact O-CG1 3.34Å; C67-I71 PolarHBondContact O-N 3.29Å; C67-M174 HydrophobicContact CB-CE 4.45Å; C67-L177 HydrophobicContact CB-CD1 4.15Å
68T94.4Very high92.4Very high5 Ų545.2 Ų45.23%0.03129%0.286CS..Hα-helixtrans-61.4-49.7178.9-60.90000111.1T64 I65 S66 I72 L102 F105 L177T64-T68 VanDerWaalsContact O-CB 3.26Å; T64-T68 WeakPolarHBondContact O-CB 3.46Å; T64-T68 PolarHBondContact O-N 3.07Å; T64-T68 PolarHBondContact O-OG1 2.89Å; I65-T68 WeakPolarHBondContact O-CB 3.5Å; I65-T68 PolarHBondContact O-N 2.8Å; S66-T68 VanDerWaalsContact C-N 3.32Å; S66-T68 PolarHBondContact O-N 2.99Å; T68-I72 HydrophobicContact CG2-CD1 3.48Å; T68-I72 VanDerWaalsContact CG2-CD1 3.48Å; T68-I72 HydrophobicContact CG2-CG1 4.43Å; T68-I72 VanDerWaalsContact O-CB 3.26Å; T68-I72 WeakPolarHBondContact O-CB 3.4Å; T68-I72 VanDerWaalsContact O-CG1 3.28Å; T68-I72 WeakPolarHBondContact O-CG1 3.21Å; T68-I72 PolarHBondContact O-N 3.42Å; T68-L102 HydrophobicContact CG2-CD2 4.23Å; T68-F105 HydrophobicContact CG2-CD1 4.26Å; T68-F105 HydrophobicContact CG2-CE1 4.09Å; T68-F105 HydrophobicContact CG2-CZ 4.22Å; T68-L177 HydrophobicContact CG2-CD2 4.34Å
69V93.1Very high91.8Very high84 Ų8443.3 Ų43.351%0.50926%0.264SS..Hα-helixtrans-59.9-50.5178.3171.50000110.2I65 S66 S73I65-V69 HydrophobicContact CG2-CG2 4.36Å; I65-V69 WeakPolarHBondContact O-CG2 3.17Å; I65-V69 PolarHBondContact O-N 2.9Å; S66-V69 PolarHBondContact O-N 3.48Å; V69-S73 WeakPolarHBondContact O-CB 3.21Å; V69-S73 PolarHBondContact O-N 3.12Å; V69-S73 PolarHBondContact O-OG 3.24Å
70I94.2Very high91.1Very high110 Ų11042 Ų4256%0.56426%0.26SS*.Hα-helixtrans-62.6-50.3-177-67.7166.8000111.2S66 C67 S73 S74S66-I70 WeakPolarHBondContact O-CB 3.37Å; S66-I70 VanDerWaalsContact O-CG1 3.26Å; S66-I70 WeakPolarHBondContact O-CG1 3.44Å; S66-I70 PolarHBondContact O-N 3.39Å; C67-I70 PolarHBondContact O-N 2.91Å; I70-S73 PolarHBondContact O-OG 2.85Å; I70-S74 VanDerWaalsContact O-CB 3.24Å; I70-S74 WeakPolarHBondContact O-CB 3.3Å; I70-S74 PolarHBondContact O-N 3.28Å; I70-S74 PolarHBondContact O-OG 2.77Å
71I94.2Very high90.3Very high30 Ų3051.2 Ų51.215%0.15430%0.296CS..Hα-helixtrans-68.7-43.1-174.7-70171.8000111.4C67 S74 G75 L177 Y180 V181 L201C67-I71 VanDerWaalsContact O-CB 3.29Å; C67-I71 WeakPolarHBondContact O-CB 3.07Å; C67-I71 VanDerWaalsContact O-CG1 3.3Å; C67-I71 WeakPolarHBondContact O-CG1 3.34Å; C67-I71 PolarHBondContact O-N 3.29Å; I71-S74 PolarHBondContact O-OG 3.43Å; I71-G75 PolarHBondContact O-N 2.96Å; I71-L177 HydrophobicContact CB-CD2 4.43Å; I71-L177 HydrophobicContact CD1-CB 4.49Å; I71-L177 HydrophobicContact CD1-CD1 4.31Å; I71-L177 HydrophobicContact CG2-CD2 4.33Å; I71-Y180 HydrophobicContact CG2-CD1 3.74Å; I71-Y180 HydrophobicContact CG2-CE1 3.87Å; I71-V181 HydrophobicContact CG2-CG2 3.72Å; I71-L201 HydrophobicContact CD1-CD1 4.09Å; I71-L201 HydrophobicContact CD1-CD2 3.91Å
72I92.2Very high89.3Confident1 Ų151.6 Ų51.61%0.00530%0.296CS..Hα-helixtrans-72-47.1-178.4-64.5173.2000110.4T68 G75 E76 L98 V101 L102 L177 Y180T68-I72 HydrophobicContact CG2-CD1 3.48Å; T68-I72 VanDerWaalsContact CG2-CD1 3.48Å; T68-I72 HydrophobicContact CG2-CG1 4.43Å; T68-I72 VanDerWaalsContact O-CB 3.26Å; T68-I72 WeakPolarHBondContact O-CB 3.4Å; T68-I72 VanDerWaalsContact O-CG1 3.28Å; T68-I72 WeakPolarHBondContact O-CG1 3.21Å; T68-I72 PolarHBondContact O-N 3.42Å; I72-G75 PolarHBondContact O-N 3.49Å; I72-E76 HydrophobicContact CG2-CG 4.36Å; I72-E76 PolarHBondContact O-N 3.25Å; I72-L98 HydrophobicContact CG2-CD2 3.6Å; I72-V101 HydrophobicContact CD1-CG1 3.56Å; I72-V101 HydrophobicContact CG1-CG1 3.89Å; I72-V101 HydrophobicContact CG2-CB 4.12Å; I72-V101 HydrophobicContact CG2-CG1 3.84Å; I72-L102 HydrophobicContact CD1-CD2 3.84Å; I72-L177 HydrophobicContact CD1-CD2 4.3Å; I72-L177 HydrophobicContact CG1-CD2 4.19Å; I72-Y180 HydrophobicContact CG1-CD1 4.49Å; I72-Y180 HydrophobicContact CG1-CE1 4.28Å; I72-Y180 PolarHBondContact O-OH 3.03Å
73S90.6Very high88Confident36 Ų3656.9 Ų56.925%0.25231%0.309SS..Hα-helixtrans-61.8-50.7-179.762.20000111.9V69 I70 G75 A77 Y94V69-S73 WeakPolarHBondContact O-CB 3.21Å; V69-S73 PolarHBondContact O-N 3.12Å; V69-S73 PolarHBondContact O-OG 3.24Å; I70-S73 PolarHBondContact O-OG 2.85Å; S73-G75 VanDerWaalsContact C-N 3.34Å; S73-G75 PolarHBondContact O-N 2.93Å; S73-A77 WeakPolarHBondContact O-CB 3.38Å; S73-A77 PolarHBondContact O-N 3.09Å; S73-Y94 WeakPolarHBondContact CB-OH 3.49Å
74S90.6Very high86.6Confident67 Ų6761.2 Ų61.247%0.46932%0.321SS..Hα-helixtrans-63-40.6177.662.20000112I70 I71 Y78I70-S74 VanDerWaalsContact O-CB 3.24Å; I70-S74 WeakPolarHBondContact O-CB 3.3Å; I70-S74 PolarHBondContact O-N 3.28Å; I70-S74 PolarHBondContact O-OG 2.77Å; I71-S74 PolarHBondContact O-OG 3.43Å; S74-Y78 VanDerWaalsContact O-CB 3.22Å; S74-Y78 WeakPolarHBondContact O-CB 3.27Å; S74-Y78 PolarHBondContact O-N 2.95Å
75G87Confident85Confident16 Ų1662 Ų6217%0.16532%0.324CS..Hα-helixtrans-63.8-49.9178.600000113I71 I72 S73 L79I71-G75 PolarHBondContact O-N 2.96Å; I72-G75 PolarHBondContact O-N 3.49Å; S73-G75 VanDerWaalsContact C-N 3.34Å; S73-G75 PolarHBondContact O-N 2.93Å; G75-L79 WeakPolarHBondContact O-CG 3.26Å; G75-L79 PolarHBondContact O-N 2.82Å; G75-L79 VanDerWaalsContact O-N 3.14Å
76E87.3Confident83.1Confident0 Ų064.5 Ų64.50%033%0.334CS..Hα-helixtrans-71.6-35.3179.4-66.3-58.9155.300111.5I72 L79 V80 I85 Y94 A97 L98 Y180 R184I72-E76 HydrophobicContact CG2-CG 4.36Å; I72-E76 PolarHBondContact O-N 3.25Å; E76-L79 PolarHBondContact O-N 3.47Å; E76-V80 WeakPolarHBondContact O-CG2 3.42Å; E76-V80 PolarHBondContact O-N 3.13Å; E76-I85 WeakPolarHBondContact OE2-CD1 3.47Å; E76-Y94 HydrophobicContact CB-CD2 4.07Å; E76-Y94 HydrophobicContact CB-CE2 3.94Å; E76-A97 HydrophobicContact CG-CB 4.21Å; E76-A97 WeakPolarHBondContact OE2-CB 3.35Å; E76-L98 HydrophobicContact CB-CD2 4.21Å; E76-L98 HydrophobicContact CG-CD2 4.23Å; E76-Y180 WeakPolarHBondContact CG-OH 3.26Å; E76-Y180 PolarHBondContact N-OH 2.98Å; E76-Y180 PolarHBondContact OE1-OH 3.25Å; E76-R184 IonicContact OE1-CZ 3.61Å; E76-R184 IonicContact OE1-NE 3.13Å; E76-R184 PolarHBondContact OE1-NE 2.98Å; E76-R184 VanDerWaalsContact OE1-NE 3.13Å; E76-R184 IonicContact OE1-NH2 3.19Å; E76-R184 PolarHBondContact OE1-NH2 2.69Å
77A84.9Confident81Confident43 Ų4364.1 Ų64.136%0.35533%0.331SS..Hα-helixtrans-63-44.6174.500000111.5S73 L79 V80 Y81 Y94S73-A77 WeakPolarHBondContact O-CB 3.38Å; S73-A77 PolarHBondContact O-N 3.09Å; A77-L79 VanDerWaalsContact C-N 3.29Å; A77-L79 PolarHBondContact O-N 3.02Å; A77-V80 PolarHBondContact O-N 3.29Å; A77-Y81 WeakPolarHBondContact O-CB 3.35Å; A77-Y81 PolarHBondContact O-N 3.36Å; A77-Y94 HydrophobicContact CB-CE2 3.93Å
78Y84.6Confident78.8Confident91 Ų9168.1 Ų68.136%0.35735%0.35SS..Hα-helixtrans-59.8-39.5175.1174.3-101.3000112.2S74 S82S74-Y78 VanDerWaalsContact O-CB 3.22Å; S74-Y78 WeakPolarHBondContact O-CB 3.27Å; S74-Y78 PolarHBondContact O-N 2.95Å; Y78-S82 WeakPolarHBondContact CE2-OG 3.25Å; Y78-S82 WeakPolarHBondContact O-CB 3.47Å; Y78-S82 PolarHBondContact O-N 2.93Å; Y78-S82 PolarHBondContact O-OG 3.47Å
79L81.7Confident76.7Confident11 Ų1170.2 Ų70.26%0.05837%0.365CS..Hα-helixtrans-71.3-35.1179.9-70.5168.9000113.1G75 E76 A77 R84 I85 R184G75-L79 WeakPolarHBondContact O-CG 3.26Å; G75-L79 PolarHBondContact O-N 2.82Å; G75-L79 VanDerWaalsContact O-N 3.14Å; E76-L79 PolarHBondContact O-N 3.47Å; A77-L79 VanDerWaalsContact C-N 3.29Å; A77-L79 PolarHBondContact O-N 3.02Å; L79-R84 HydrophobicContact CD2-CB 4.23Å; L79-R84 PolarHBondContact O-N 2.88Å; L79-I85 HydrophobicContact CB-CD1 3.37Å; L79-I85 HydrophobicContact CB-CG1 3.74Å; L79-I85 HydrophobicContact CD1-CD1 3.84Å; L79-I85 HydrophobicContact CG-CD1 4.22Å; L79-I85 PolarHBondContact O-N 2.99Å; L79-R184 HydrophobicContact CD1-CB 4.14Å; L79-R184 HydrophobicContact CD1-CG 3.94Å
80V80.2Confident74.7Confident51 Ų5176 Ų7631%0.30939%0.386SS..Hα-helixtrans-67.8-48.3171.9172.20000110.3E76 A77 S82 K83 I85 Y94E76-V80 WeakPolarHBondContact O-CG2 3.42Å; E76-V80 PolarHBondContact O-N 3.13Å; A77-V80 PolarHBondContact O-N 3.29Å; V80-S82 VanDerWaalsContact C-N 3.33Å; V80-S82 PolarHBondContact O-N 3.42Å; V80-K83 WeakPolarHBondContact O-CA 3.48Å; V80-K83 PolarHBondContact O-N 2.89Å; V80-I85 HydrophobicContact CG2-CB 4.26Å; V80-I85 HydrophobicContact CG2-CG2 4.42Å; V80-Y94 HydrophobicContact CG2-CD2 4.41Å
81Y79.6Confident72.9Confident195 Ų19576.7 Ų76.777%0.76539%0.385SS*.Hα-helixtrans-58.5-44176.8176.9-100.5000112.2A77 K83A77-Y81 WeakPolarHBondContact O-CB 3.35Å; A77-Y81 PolarHBondContact O-N 3.36Å; Y81-K83 PolarHBondContact O-N 3.14Å
82S73.7Confident72Confident40 Ų4080.3 Ų80.328%0.2841%0.405SS..THydrogen-bonded Turntrans-73.59.7178.1-55.50000113.5Y78 V80 R84Y78-S82 WeakPolarHBondContact CE2-OG 3.25Å; Y78-S82 WeakPolarHBondContact O-CB 3.47Å; Y78-S82 PolarHBondContact O-N 2.93Å; Y78-S82 PolarHBondContact O-OG 3.47Å; V80-S82 VanDerWaalsContact C-N 3.33Å; V80-S82 PolarHBondContact O-N 3.42Å; S82-R84 PolarHBondContact O-N 3.32Å
83K68.1Low71.2Confident163 Ų16381.2 Ų81.271%0.70941%0.414SS*.THydrogen-bonded Turntrans5415.6-176.8-63-174.8-179.4-176.80115V80 Y81 I85 H86V80-K83 WeakPolarHBondContact O-CA 3.48Å; V80-K83 PolarHBondContact O-N 2.89Å; Y81-K83 PolarHBondContact O-N 3.14Å; K83-I85 VanDerWaalsContact C-N 3.27Å; K83-I85 PolarHBondContact O-N 3.38Å; K83-H86 PolarHBondContact O-ND1 3.26Å
84R65.5Low70.8Confident137 Ų13782.3 Ų82.352%0.51741%0.413SS..  trans-77.9-12.4179.3-74.4-170.3177.2-173.91.6113L79 S82L79-R84 HydrophobicContact CD2-CB 4.23Å; L79-R84 PolarHBondContact O-N 2.88Å; S82-R84 PolarHBondContact O-N 3.32Å
85I60.3Low70.4Confident17 Ų1781.7 Ų81.79%0.08741%0.407CS..  trans-120103.9174.3-61.3-178.1000108.3E76 L79 V80 K83 R248E76-I85 WeakPolarHBondContact OE2-CD1 3.47Å; L79-I85 HydrophobicContact CB-CD1 3.37Å; L79-I85 HydrophobicContact CB-CG1 3.74Å; L79-I85 HydrophobicContact CD1-CD1 3.84Å; L79-I85 HydrophobicContact CG-CD1 4.22Å; L79-I85 PolarHBondContact O-N 2.99Å; V80-I85 HydrophobicContact CG2-CB 4.26Å; V80-I85 HydrophobicContact CG2-CG2 4.42Å; K83-I85 VanDerWaalsContact C-N 3.27Å; K83-I85 PolarHBondContact O-N 3.38Å; I85-R248 VanDerWaalsContact CG1-NH1 3.32Å
86H53.3Low70.2Confident156 Ų15681.9 Ų81.972%0.72241%0.407SS*.  trans-105.6125.1160.6-84.474.7000107.7K83K83-H86 PolarHBondContact O-ND1 3.26Å
87S50.2Low70Confident55 Ų5582.2 Ų82.239%0.38541%0.409SS..  trans-110.3132.6179.9-177.70000109.1S89S87-S89 PolarHBondContact O-N 2.77Å; S87-S89 PolarHBondContact OG-N 2.86Å
88N48.6Very low70.2Confident122 Ų12281.6 Ų81.665%0.65240%0.4SS*.  trans-81.818.5174.3-69.6-42.3000113.2R251N88-R251 PolarHBondContact ND2-NE 3.16Å; N88-R251 PolarHBondContact ND2-NH1 3.4Å; N88-R251 PolarHBondContact OD1-NH1 3.24Å
89S50.1Low70.3Confident50 Ų5081.5 Ų81.535%0.3540%0.399SS..SBendtrans-98.1139.8180-174.90000109.7S87 F91S87-S89 PolarHBondContact O-N 2.77Å; S87-S89 PolarHBondContact OG-N 2.86Å; S89-F91 PolarHBondContact O-N 3.4Å; S89-F91 VanDerWaalsContact O-N 3.16Å; S89-F91 PolarHBondContact OG-N 3.24Å
90E52.9Low70.6Confident204 Ų20486.6 Ų86.695%0.95342%0.421SS*.SBendtrans-63.9-14.8171.6-61-158147.700113
91F56.4Low71.1Confident126 Ų12684.2 Ų84.255%0.55341%0.407SS*.SBendtrans-84135.2173.2-157.9-114.7000110.6S89 G93 V95S89-F91 PolarHBondContact O-N 3.4Å; S89-F91 VanDerWaalsContact O-N 3.16Å; S89-F91 PolarHBondContact OG-N 3.24Å; F91-G93 PolarHBondContact O-N 3.45Å; F91-G93 VanDerWaalsContact O-N 3.08Å; F91-V95 HydrophobicContact CD1-CB 3.92Å; F91-V95 HydrophobicContact CD1-CG1 4.23Å; F91-V95 HydrophobicContact CE1-CB 3.44Å; F91-V95 VanDerWaalsContact CE1-CB 3.44Å; F91-V95 HydrophobicContact CE1-CG1 3.28Å; F91-V95 HydrophobicContact CE1-CG2 4.4Å; F91-V95 HydrophobicContact CZ-CB 4.24Å; F91-V95 HydrophobicContact CZ-CG1 3.83Å
92N75.1Confident71.7Confident106 Ų10678 Ų7857%0.56739%0.387SS*.  trans-42.6117.6-179.2-177.9-9.3000110.8Y94 V95 A96N92-Y94 PolarHBondContact O-N 2.89Å; N92-Y94 PolarHBondContact OD1-N 2.92Å; N92-V95 HydrophobicContact CB-CG2 4.09Å; N92-V95 PolarHBondContact O-N 3.3Å; N92-A96 PolarHBondContact O-N 3.48Å
93G74.4Confident72.6Confident19 Ų1977.4 Ų77.420%0.19639%0.386CS..Hα-helixtrans-55.2-27.8-17100000114F91 A97F91-G93 PolarHBondContact O-N 3.45Å; F91-G93 VanDerWaalsContact O-N 3.08Å; G93-A97 WeakPolarHBondContact O-CB 3.4Å; G93-A97 PolarHBondContact O-N 3.22Å; G93-A97 VanDerWaalsContact O-N 3.13Å
94Y81.4Confident73.7Confident59 Ų5970.6 Ų70.623%0.23136%0.358CS..Hα-helixtrans-61.1-49.9171.5177.1-114.2000112.4S73 E76 A77 V80 N92 A96 A97 L98S73-Y94 WeakPolarHBondContact CB-OH 3.49Å; E76-Y94 HydrophobicContact CB-CD2 4.07Å; E76-Y94 HydrophobicContact CB-CE2 3.94Å; A77-Y94 HydrophobicContact CB-CE2 3.93Å; V80-Y94 HydrophobicContact CG2-CD2 4.41Å; N92-Y94 PolarHBondContact O-N 2.89Å; N92-Y94 PolarHBondContact OD1-N 2.92Å; Y94-A96 PolarHBondContact O-N 2.99Å; Y94-A97 WeakPolarHBondContact O-CB 3.25Å; Y94-A97 PolarHBondContact O-N 2.83Å; Y94-A97 VanDerWaalsContact O-N 3.17Å; Y94-L98 HydrophobicContact CD1-CD1 4.06Å; Y94-L98 HydrophobicContact CD2-CG 4.48Å; Y94-L98 HydrophobicContact CE1-CD1 3.46Å; Y94-L98 VanDerWaalsContact CE1-CD1 3.46Å; Y94-L98 HydrophobicContact CE1-CG 4.21Å; Y94-L98 HydrophobicContact CE2-CD1 4.17Å; Y94-L98 HydrophobicContact CE2-CD2 4.19Å; Y94-L98 HydrophobicContact CE2-CG 4.12Å; Y94-L98 WeakPolarHBondContact O-CG 3.21Å; Y94-L98 PolarHBondContact O-N 2.94Å
95V83.9Confident75.2Confident55 Ų5565 Ų6533%0.33334%0.338SS..Hα-helixtrans-69.8-36.5-175.9-166.70000110.9F91 N92 A97 L98 Y99F91-V95 HydrophobicContact CD1-CB 3.92Å; F91-V95 HydrophobicContact CD1-CG1 4.23Å; F91-V95 HydrophobicContact CE1-CB 3.44Å; F91-V95 VanDerWaalsContact CE1-CB 3.44Å; F91-V95 HydrophobicContact CE1-CG1 3.28Å; F91-V95 HydrophobicContact CE1-CG2 4.4Å; F91-V95 HydrophobicContact CZ-CB 4.24Å; F91-V95 HydrophobicContact CZ-CG1 3.83Å; N92-V95 HydrophobicContact CB-CG2 4.09Å; N92-V95 PolarHBondContact O-N 3.3Å; V95-A97 VanDerWaalsContact C-N 3.31Å; V95-A97 PolarHBondContact O-N 3.29Å; V95-L98 PolarHBondContact O-N 3.06Å; V95-Y99 WeakPolarHBondContact O-CB 3.34Å; V95-Y99 PolarHBondContact O-N 3.31Å
96A82Confident76.8Confident20 Ų2068.7 Ų68.717%0.16536%0.357CS..Hα-helixtrans-63.5-37.1173.100000112.3N92 Y94 K100N92-A96 PolarHBondContact O-N 3.48Å; Y94-A96 PolarHBondContact O-N 2.99Å; A96-K100 WeakPolarHBondContact O-CG 3.49Å; A96-K100 PolarHBondContact O-N 3.35Å
97A83.4Confident78.9Confident6 Ų664.1 Ų64.15%0.0534%0.336CS..Hα-helixtrans-68.6-46175.400000111.6E76 G93 Y94 V95 Y99 K100 V101E76-A97 HydrophobicContact CG-CB 4.21Å; E76-A97 WeakPolarHBondContact OE2-CB 3.35Å; G93-A97 WeakPolarHBondContact O-CB 3.4Å; G93-A97 PolarHBondContact O-N 3.22Å; G93-A97 VanDerWaalsContact O-N 3.13Å; Y94-A97 WeakPolarHBondContact O-CB 3.25Å; Y94-A97 PolarHBondContact O-N 2.83Å; Y94-A97 VanDerWaalsContact O-N 3.17Å; V95-A97 VanDerWaalsContact C-N 3.31Å; V95-A97 PolarHBondContact O-N 3.29Å; A97-Y99 VanDerWaalsContact C-N 3.35Å; A97-Y99 PolarHBondContact O-N 2.97Å; A97-K100 PolarHBondContact O-N 3.04Å; A97-V101 WeakPolarHBondContact O-CG2 3.44Å; A97-V101 PolarHBondContact O-N 2.88Å; A97-V101 VanDerWaalsContact O-N 3.09Å
98L88Confident81.1Confident30 Ų3061.6 Ų61.616%0.15732%0.318CS..Hα-helixtrans-56.5-47.8174.7-71.7-175000111.8I72 E76 Y94 V95 K100 V101 L102I72-L98 HydrophobicContact CG2-CD2 3.6Å; E76-L98 HydrophobicContact CB-CD2 4.21Å; E76-L98 HydrophobicContact CG-CD2 4.23Å; Y94-L98 HydrophobicContact CD1-CD1 4.06Å; Y94-L98 HydrophobicContact CD2-CG 4.48Å; Y94-L98 HydrophobicContact CE1-CD1 3.46Å; Y94-L98 VanDerWaalsContact CE1-CD1 3.46Å; Y94-L98 HydrophobicContact CE1-CG 4.21Å; Y94-L98 HydrophobicContact CE2-CD1 4.17Å; Y94-L98 HydrophobicContact CE2-CD2 4.19Å; Y94-L98 HydrophobicContact CE2-CG 4.12Å; Y94-L98 WeakPolarHBondContact O-CG 3.21Å; Y94-L98 PolarHBondContact O-N 2.94Å; V95-L98 PolarHBondContact O-N 3.06Å; L98-K100 VanDerWaalsContact C-N 3.31Å; L98-K100 PolarHBondContact O-N 3.48Å; L98-V101 PolarHBondContact O-N 3Å; L98-L102 VanDerWaalsContact O-CB 3.29Å; L98-L102 WeakPolarHBondContact O-CB 3.26Å; L98-L102 WeakPolarHBondContact O-CG 3.41Å; L98-L102 PolarHBondContact O-N 3.34Å
99Y87.7Confident83.4Confident89 Ų8956.3 Ų56.335%0.34929%0.291SS..Hα-helixtrans-55.5-45.6178.6171.8-98.5000111.9V11 D14 V95 A97 G103V11-Y99 HydrophobicContact CG2-CE1 4.47Å; D14-Y99 PolarHBondContact OD2-OH 3.05Å; V95-Y99 WeakPolarHBondContact O-CB 3.34Å; V95-Y99 PolarHBondContact O-N 3.31Å; A97-Y99 VanDerWaalsContact C-N 3.35Å; A97-Y99 PolarHBondContact O-N 2.97Å; Y99-G103 WeakPolarHBondContact O-CA 3.41Å; Y99-G103 PolarHBondContact O-N 3.49Å
100K88.1Confident85.6Confident119 Ų11954.6 Ų54.652%0.51728%0.28SS..Hα-helixtrans-64.7-44.5179.2-71-179.7178.6-167.30112.4A96 A97 L98 T104A96-K100 WeakPolarHBondContact O-CG 3.49Å; A96-K100 PolarHBondContact O-N 3.35Å; A97-K100 PolarHBondContact O-N 3.04Å; L98-K100 VanDerWaalsContact C-N 3.31Å; L98-K100 PolarHBondContact O-N 3.48Å; K100-T104 WeakPolarHBondContact O-CB 3.15Å; K100-T104 VanDerWaalsContact O-CG2 3.29Å; K100-T104 WeakPolarHBondContact O-CG2 3.21Å; K100-T104 PolarHBondContact O-N 2.66Å; K100-T104 VanDerWaalsContact O-N 3.17Å; K100-T104 PolarHBondContact O-OG1 3.4Å
101V90.6Very high87.8Confident1 Ų146.7 Ų46.71%0.00625%0.246CC..Hα-helixtrans-69-46.4-179.3-177.50000110.4I72 A97 L98 T104 F105 F176 Y180 F244I72-V101 HydrophobicContact CD1-CG1 3.56Å; I72-V101 HydrophobicContact CG1-CG1 3.89Å; I72-V101 HydrophobicContact CG2-CB 4.12Å; I72-V101 HydrophobicContact CG2-CG1 3.84Å; A97-V101 WeakPolarHBondContact O-CG2 3.44Å; A97-V101 PolarHBondContact O-N 2.88Å; A97-V101 VanDerWaalsContact O-N 3.09Å; L98-V101 PolarHBondContact O-N 3Å; V101-T104 PolarHBondContact O-OG1 2.86Å; V101-F105 WeakPolarHBondContact O-CB 3.42Å; V101-F105 PolarHBondContact O-N 3.46Å; V101-F176 HydrophobicContact CG1-CE1 4.4Å; V101-Y180 HydrophobicContact CG1-CD2 3.91Å; V101-Y180 HydrophobicContact CG1-CE2 3.88Å; V101-Y180 HydrophobicContact CG2-CE2 4.02Å; V101-F244 HydrophobicContact CB-CE1 4.17Å; V101-F244 HydrophobicContact CB-CZ 4.21Å; V101-F244 HydrophobicContact CG1-CE1 4.08Å; V101-F244 HydrophobicContact CG1-CZ 3.67Å; V101-F244 HydrophobicContact CG2-CE1 3.69Å; V101-F244 HydrophobicContact CG2-CZ 4.16Å
102L91.8Very high89.7Confident65 Ų6540.7 Ų40.734%0.3422%0.219SC..Hα-helixtrans-69.4-41.4-179.5-68.7175.1000112.1T68 I72 L98 T104 F105 L106T68-L102 HydrophobicContact CG2-CD2 4.23Å; I72-L102 HydrophobicContact CD1-CD2 3.84Å; L98-L102 VanDerWaalsContact O-CB 3.29Å; L98-L102 WeakPolarHBondContact O-CB 3.26Å; L98-L102 WeakPolarHBondContact O-CG 3.41Å; L98-L102 PolarHBondContact O-N 3.34Å; L102-T104 PolarHBondContact O-N 3.49Å; L102-F105 PolarHBondContact O-N 3.39Å; L102-L106 WeakPolarHBondContact O-CB 3.28Å; L102-L106 VanDerWaalsContact O-CG 3.26Å; L102-L106 WeakPolarHBondContact O-CG 3.44Å; L102-L106 PolarHBondContact O-N 3.25Å
103G91.8Very high90.8Very high26 Ų2637.1 Ų37.127%0.26820%0.199SC..Hα-helixtrans-60-46.7176.500000111.8Y99 L106 F107Y99-G103 WeakPolarHBondContact O-CA 3.41Å; Y99-G103 PolarHBondContact O-N 3.49Å; G103-L106 PolarHBondContact O-N 3.26Å; G103-F107 WeakPolarHBondContact O-CB 3.48Å; G103-F107 PolarHBondContact O-N 3.02Å
104T92.9Very high91.9Very high21 Ų2136.6 Ų36.613%0.12919%0.192CC..Hα-helixtrans-64.7-41.9175.352.20000112.1K100 V101 L102 F107 G108 N237 V241K100-T104 WeakPolarHBondContact O-CB 3.15Å; K100-T104 VanDerWaalsContact O-CG2 3.29Å; K100-T104 WeakPolarHBondContact O-CG2 3.21Å; K100-T104 PolarHBondContact O-N 2.66Å; K100-T104 VanDerWaalsContact O-N 3.17Å; K100-T104 PolarHBondContact O-OG1 3.4Å; V101-T104 PolarHBondContact O-OG1 2.86Å; L102-T104 PolarHBondContact O-N 3.49Å; T104-F107 PolarHBondContact O-N 2.64Å; T104-G108 PolarHBondContact O-N 3Å; T104-G108 VanDerWaalsContact O-N 3.12Å; T104-N237 PolarHBondContact O-ND2 2.97Å; T104-V241 HydrophobicContact CG2-CG1 3.98Å
105F95Very high92.7Very high18 Ų1837.3 Ų37.38%0.07920%0.2CC..Hα-helixtrans-58.7-48.1175.1177-99.1000112.5T68 V101 L102 G108 A109 Y172 C173 F176T68-F105 HydrophobicContact CG2-CD1 4.26Å; T68-F105 HydrophobicContact CG2-CE1 4.09Å; T68-F105 HydrophobicContact CG2-CZ 4.22Å; V101-F105 WeakPolarHBondContact O-CB 3.42Å; V101-F105 PolarHBondContact O-N 3.46Å; L102-F105 PolarHBondContact O-N 3.39Å; F105-G108 PolarHBondContact O-N 3.02Å; F105-A109 WeakPolarHBondContact O-CB 3.4Å; F105-A109 PolarHBondContact O-N 3.22Å; F105-Y172 HydrophobicContact CD2-CE1 4.19Å; F105-Y172 HydrophobicContact CE2-CE1 4.07Å; F105-Y172 PolarHBondContact O-OH 3.18Å; F105-C173 HydrophobicContact CE2-CB 4.29Å; F105-C173 HydrophobicContact CZ-CB 4.2Å; F105-F176 HydrophobicContact CB-CD1 4.45Å; F105-F176 HydrophobicContact CB-CE1 3.85Å; F105-F176 HydrophobicContact CB-CE2 4.41Å; F105-F176 HydrophobicContact CB-CZ 3.81Å; F105-F176 HydrophobicContact CD2-CB 4.3Å; F105-F176 AromaticContact CD2-CD1 3.51Å; F105-F176 HydrophobicContact CD2-CD1 3.51Å; F105-F176 HydrophobicContact CD2-CD2 4.35Å; F105-F176 AromaticContact CD2-CE1 3.79Å; F105-F176 HydrophobicContact CD2-CE1 3.79Å; F105-F176 AromaticContact CD2-CG 3.81Å; F105-F176 HydrophobicContact CD2-CG 3.81Å; F105-F176 HydrophobicContact CD2-CZ 4.3Å; F105-F176 HydrophobicContact CE2-CB 4.46Å; F105-F176 HydrophobicContact CE2-CD1 4.25Å; F105-F176 HydrophobicContact CE2-CG 4.44Å; F105-F176 HydrophobicContact CG-CD1 4.44Å; F105-F176 HydrophobicContact CG-CE1 4.3Å
106L95.5Very high93.3Very high96 Ų9634.7 Ų34.750%0.50318%0.184SC..Hα-helixtrans-66.2-40.1-179.8-70.4174000111.9L102 G103 A109 A110L102-L106 WeakPolarHBondContact O-CB 3.28Å; L102-L106 VanDerWaalsContact O-CG 3.26Å; L102-L106 WeakPolarHBondContact O-CG 3.44Å; L102-L106 PolarHBondContact O-N 3.25Å; G103-L106 PolarHBondContact O-N 3.26Å; L106-A109 PolarHBondContact O-N 3.48Å; L106-A110 WeakPolarHBondContact O-CB 3.32Å; L106-A110 PolarHBondContact O-N 3.15Å
107F96.2Very high94Very high60 Ų6034.3 Ų34.326%0.26318%0.179SC..Hα-helixtrans-57.9-52.3175.3176.8-103.2000111.8C17 V18 A21 G103 T104 A109 A110 V111 V241C17-F107 HydrophobicContact CB-CE2 4.44Å; V18-F107 HydrophobicContact CG2-CB 3.98Å; V18-F107 HydrophobicContact CG2-CD2 4.19Å; A21-F107 HydrophobicContact CB-CD2 4.2Å; A21-F107 HydrophobicContact CB-CE2 3.93Å; G103-F107 WeakPolarHBondContact O-CB 3.48Å; G103-F107 PolarHBondContact O-N 3.02Å; T104-F107 PolarHBondContact O-N 2.64Å; F107-A109 VanDerWaalsContact C-N 3.3Å; F107-A109 PolarHBondContact O-N 3.33Å; F107-A110 WeakPolarHBondContact O-CB 3.22Å; F107-A110 PolarHBondContact O-N 3.29Å; F107-V111 HydrophobicContact CE1-CG2 4.07Å; F107-V111 HydrophobicContact CE2-CG2 4.23Å; F107-V111 HydrophobicContact CZ-CG2 3.92Å; F107-V111 WeakPolarHBondContact O-CG2 3.28Å; F107-V111 PolarHBondContact O-N 3.19Å; F107-V241 HydrophobicContact CD1-CG1 4.38Å; F107-V241 HydrophobicContact CE1-CG2 4.42Å
108G96.8Very high94.6Very high1 Ų137.8 Ų37.81%0.0120%0.197CC..Hα-helixtrans-67-30.9178.700000113.1T104 F105 S112 Y172 I233 N237T104-G108 PolarHBondContact O-N 3Å; T104-G108 VanDerWaalsContact O-N 3.12Å; F105-G108 PolarHBondContact O-N 3.02Å; G108-S112 VanDerWaalsContact O-CB 3.27Å; G108-S112 WeakPolarHBondContact O-CB 3.13Å; G108-S112 PolarHBondContact O-N 2.96Å; G108-Y172 VanDerWaalsContact C-OH 3.29Å; G108-Y172 WeakPolarHBondContact CA-OH 3.41Å; G108-I233 WeakPolarHBondContact O-CG2 3.47Å; G108-N237 WeakPolarHBondContact CA-ND2 3.39Å
109A96.7Very high95Very high11 Ų1137.1 Ų37.19%0.09120%0.196CC..Hα-helixtrans-64.1-44.5173.800000110.8F105 L106 F107 S112 Q113 Y172F105-A109 WeakPolarHBondContact O-CB 3.4Å; F105-A109 PolarHBondContact O-N 3.22Å; L106-A109 PolarHBondContact O-N 3.48Å; F107-A109 VanDerWaalsContact C-N 3.3Å; F107-A109 PolarHBondContact O-N 3.33Å; A109-S112 PolarHBondContact O-N 2.91Å; A109-Q113 WeakPolarHBondContact O-CG 3.17Å; A109-Q113 PolarHBondContact O-N 2.9Å; A109-Y172 VanDerWaalsContact CA-CE1 3.45Å; A109-Y172 HydrophobicContact CB-CD1 4.2Å; A109-Y172 HydrophobicContact CB-CE1 3.64Å; A109-Y172 VanDerWaalsContact N-CE1 3.31Å; A109-Y172 VanDerWaalsContact N-CZ 3.26Å; A109-Y172 PolarHBondContact N-OH 3.09Å
110A97.3Very high95.4Very high15 Ų1533.7 Ų33.712%0.12418%0.182CC..Hα-helixtrans-61.6-48.7176.600000111.5A21 A22 L106 F107 S112 Q113 S114A21-A110 HydrophobicContact CB-CB 4.1Å; A22-A110 HydrophobicContact CB-CB 4.04Å; L106-A110 WeakPolarHBondContact O-CB 3.32Å; L106-A110 PolarHBondContact O-N 3.15Å; F107-A110 WeakPolarHBondContact O-CB 3.22Å; F107-A110 PolarHBondContact O-N 3.29Å; A110-S112 VanDerWaalsContact C-N 3.32Å; A110-S112 PolarHBondContact O-N 2.9Å; A110-Q113 PolarHBondContact O-N 3.4Å; A110-S114 VanDerWaalsContact O-CB 3.28Å; A110-S114 WeakPolarHBondContact O-CB 3.22Å; A110-S114 PolarHBondContact O-N 3.22Å; A110-S114 PolarHBondContact O-OG 2.98Å
111V97.8Very high95.8Very high38 Ų3828.6 Ų28.623%0.2316%0.16CC..Hα-helixtrans-57.6-46.4175.1172.90000110.9A21 F107 S114 L115 I233A21-V111 HydrophobicContact CB-CG2 3.9Å; F107-V111 HydrophobicContact CE1-CG2 4.07Å; F107-V111 HydrophobicContact CE2-CG2 4.23Å; F107-V111 HydrophobicContact CZ-CG2 3.92Å; F107-V111 WeakPolarHBondContact O-CG2 3.28Å; F107-V111 PolarHBondContact O-N 3.19Å; V111-S114 PolarHBondContact O-N 3.45Å; V111-L115 HydrophobicContact CG1-CD1 4.11Å; V111-L115 WeakPolarHBondContact O-CG 3.35Å; V111-L115 PolarHBondContact O-N 3.41Å; V111-L115 VanDerWaalsContact O-N 3.07Å; V111-I233 HydrophobicContact CG1-CD1 4.1Å; V111-I233 HydrophobicContact CG1-CG2 4.43Å
112S97.6Very high96Very high0 Ų031.8 Ų31.80%018%0.182CC..Hα-helixtrans-63.8-46.3-178.5-1740000112.5G108 A109 A110 L115 T116 Q229G108-S112 VanDerWaalsContact O-CB 3.27Å; G108-S112 WeakPolarHBondContact O-CB 3.13Å; G108-S112 PolarHBondContact O-N 2.96Å; A109-S112 PolarHBondContact O-N 2.91Å; A110-S112 VanDerWaalsContact C-N 3.32Å; A110-S112 PolarHBondContact O-N 2.9Å; S112-L115 PolarHBondContact O-N 2.67Å; S112-T116 PolarHBondContact O-N 3.3Å; S112-T116 VanDerWaalsContact O-N 3.09Å; S112-T116 PolarHBondContact O-OG1 3.41Å; S112-Q229 PolarHBondContact OG-NE2 2.93Å; S112-Q229 PolarHBondContact OG-OE1 3.44Å
113Q96.8Very high96.2Very high31 Ų3131.8 Ų31.815%0.14518%0.182CC..Hα-helixtrans-65.6-41.7177.3-74.2-55.8-78.100112.6F25 A109 A110 L115 T116 D117 F169F25-Q113 HydrophobicContact CD2-CB 3.97Å; F25-Q113 HydrophobicContact CG-CB 4.31Å; A109-Q113 WeakPolarHBondContact O-CG 3.17Å; A109-Q113 PolarHBondContact O-N 2.9Å; A110-Q113 PolarHBondContact O-N 3.4Å; Q113-L115 VanDerWaalsContact C-N 3.33Å; Q113-L115 PolarHBondContact O-N 3.31Å; Q113-T116 WeakPolarHBondContact O-CB 3.26Å; Q113-T116 PolarHBondContact O-N 3.4Å; Q113-D117 PolarHBondContact O-N 3.33Å; Q113-F169 HydrophobicContact CG-CD2 4.16Å
114S97.8Very high96.4Very high7 Ų730.6 Ų30.65%0.04917%0.169CC..Hα-helixtrans-59.9-41.8176.8-760000112.6A21 P24 F25 A110 V111 L118A21-S114 WeakPolarHBondContact O-CB 3.29Å; A21-S114 PolarHBondContact O-OG 3.39Å; P24-S114 WeakPolarHBondContact CD-OG 3.32Å; F25-S114 WeakPolarHBondContact CB-OG 3.12Å; F25-S114 PolarHBondContact N-OG 3.47Å; A110-S114 VanDerWaalsContact O-CB 3.28Å; A110-S114 WeakPolarHBondContact O-CB 3.22Å; A110-S114 PolarHBondContact O-N 3.22Å; A110-S114 PolarHBondContact O-OG 2.98Å; V111-S114 PolarHBondContact O-N 3.45Å; S114-L118 WeakPolarHBondContact O-CB 3.5Å; S114-L118 PolarHBondContact O-N 2.99Å
115L97.8Very high96.5Very high74 Ų7431.7 Ų31.739%0.38717%0.171SC..Hα-helixtrans-65.7-41.7175.2-71.2172.3000112.2V111 S112 Q113 A119 I233V111-L115 HydrophobicContact CG1-CD1 4.11Å; V111-L115 WeakPolarHBondContact O-CG 3.35Å; V111-L115 PolarHBondContact O-N 3.41Å; V111-L115 VanDerWaalsContact O-N 3.07Å; S112-L115 PolarHBondContact O-N 2.67Å; Q113-L115 VanDerWaalsContact C-N 3.33Å; Q113-L115 PolarHBondContact O-N 3.31Å; L115-A119 WeakPolarHBondContact O-CB 3.12Å; L115-A119 PolarHBondContact O-N 2.99Å; L115-I233 HydrophobicContact CD1-CD1 3.9Å; L115-I233 HydrophobicContact CD1-CG1 4.35Å
116T97.1Very high96.6Very high0 Ų030.9 Ų30.90%017%0.168CC..Hα-helixtrans-60.6-49.4177.4-63.70000111.7S112 Q113 A119 K120 Y163 S168S112-T116 PolarHBondContact O-N 3.3Å; S112-T116 VanDerWaalsContact O-N 3.09Å; S112-T116 PolarHBondContact O-OG1 3.41Å; Q113-T116 WeakPolarHBondContact O-CB 3.26Å; Q113-T116 PolarHBondContact O-N 3.4Å; T116-A119 PolarHBondContact O-N 3.38Å; T116-K120 HydrophobicContact CG2-CD 4.17Å; T116-K120 WeakPolarHBondContact O-CG 3.32Å; T116-K120 PolarHBondContact O-N 2.89Å; T116-Y163 WeakPolarHBondContact CA-OH 3.2Å; T116-Y163 HydrophobicContact CG2-CD2 4.37Å; T116-Y163 HydrophobicContact CG2-CE2 4.06Å; T116-Y163 PolarHBondContact N-OH 3.03Å; T116-Y163 WeakPolarHBondContact OG1-CE2 3.4Å; T116-Y163 PolarHBondContact OG1-OH 3.41Å; T116-S168 PolarHBondContact OG1-OG 3.16Å; T116-S168 VanDerWaalsContact OG1-OG 3.13Å
117D96.1Very high96.7Very high12 Ų1227.4 Ų27.46%0.06415%0.148CC..Hα-helixtrans-71.1-38-177.9-81.14.6000111.3F25 M28 Q113 A119 K120 F121F25-D117 WeakPolarHBondContact CD2-OD2 3.37Å; F25-D117 WeakPolarHBondContact CE2-OD2 3.44Å; M28-D117 HydrophobicContact CB-CB 4.23Å; Q113-D117 PolarHBondContact O-N 3.33Å; D117-A119 VanDerWaalsContact C-N 3.28Å; D117-A119 PolarHBondContact O-N 2.99Å; D117-K120 PolarHBondContact O-N 3.44Å; D117-F121 HydrophobicContact CB-CD2 4.35Å; D117-F121 VanDerWaalsContact O-CD2 3.27Å; D117-F121 WeakPolarHBondContact O-CD2 3.25Å; D117-F121 PolarHBondContact O-N 2.91Å
118L96.6Very high96.8Very high80 Ų8024.9 Ų24.942%0.41914%0.138SC..Hα-helixtrans-55.1-46.1171.2-177.562.4000111.2M28 S114 S122M28-L118 HydrophobicContact CE-CD1 3.82Å; S114-L118 WeakPolarHBondContact O-CB 3.5Å; S114-L118 PolarHBondContact O-N 2.99Å; L118-S122 WeakPolarHBondContact O-CB 3.19Å; L118-S122 PolarHBondContact O-N 3.12Å; L118-S122 PolarHBondContact O-OG 2.89Å
119A96.7Very high96.8Very high16 Ų1625 Ų2513%0.13214%0.138CC..Hα-helixtrans-63.5-47.4177.200000112.2L115 T116 D117 F121 S122 I123 F162 Y163L115-A119 WeakPolarHBondContact O-CB 3.12Å; L115-A119 PolarHBondContact O-N 2.99Å; T116-A119 PolarHBondContact O-N 3.38Å; D117-A119 VanDerWaalsContact C-N 3.28Å; D117-A119 PolarHBondContact O-N 2.99Å; A119-F121 PolarHBondContact O-N 3.04Å; A119-S122 PolarHBondContact O-N 3.31Å; A119-I123 HydrophobicContact CB-CD1 4.48Å; A119-I123 WeakPolarHBondContact O-CB 3.32Å; A119-I123 WeakPolarHBondContact O-CG1 3.29Å; A119-I123 PolarHBondContact O-N 2.93Å; A119-F162 CarbonylContact C-O 3.39Å; A119-F162 HydrophobicContact CB-CD1 4.41Å; A119-Y163 HydrophobicContact CB-CD1 4Å; A119-Y163 HydrophobicContact CB-CE1 3.83Å
120K96.4Very high96.9Very high17 Ų1724.5 Ų24.57%0.07413%0.134CC..Hα-helixtrans-58.1-50.2-179.4-77.2175172.2179.80112.8T116 D117 G124 L160 F162 Y163T116-K120 HydrophobicContact CG2-CD 4.17Å; T116-K120 WeakPolarHBondContact O-CG 3.32Å; T116-K120 PolarHBondContact O-N 2.89Å; D117-K120 PolarHBondContact O-N 3.44Å; K120-G124 PolarHBondContact O-N 3.37Å; K120-G124 VanDerWaalsContact O-N 3.09Å; K120-L160 HydrophobicContact CB-CB 4.26Å; K120-L160 HydrophobicContact CB-CD2 4.19Å; K120-L160 HydrophobicContact CD-CB 4.35Å; K120-L160 HydrophobicContact CG-CB 4.46Å; K120-F162 WeakPolarHBondContact CA-O 3.3Å; K120-F162 VanDerWaalsContact CG-O 3.32Å; K120-F162 WeakPolarHBondContact CG-O 3.41Å; K120-F162 PolarHBondContact N-O 3.37Å; K120-F162 VanDerWaalsContact N-O 3.14Å; K120-Y163 VanDerWaalsContact CE-O 3.23Å; K120-Y163 WeakPolarHBondContact CE-O 3.27Å
121F96Very high96.8Very high12 Ų1225 Ų255%0.05313%0.134CC..Hα-helixtrans-75.4-28.6-176.8-76.7-84.1000112.4M28 F32 P34 Y35 D117 A119 L160M28-F121 HydrophobicContact CB-CD2 3.61Å; M28-F121 HydrophobicContact CB-CE2 3.84Å; M28-F121 HydrophobicContact CB-CG 4.17Å; M28-F121 HydrophobicContact CE-CB 4.39Å; M28-F121 HydrophobicContact CG-CB 4.42Å; M28-F121 HydrophobicContact CG-CD2 4.11Å; M28-F121 HydrophobicContact CG-CG 4.38Å; M28-F121 WeakPolarHBondContact O-CZ 3.3Å; M28-F121 HydrophobicContact SD-CB 3.67Å; M28-F121 HydrophobicContact SD-CD2 4.3Å; M28-F121 HydrophobicContact SD-CG 3.96Å; F32-F121 HydrophobicContact CD2-CE1 4.34Å; F32-F121 AromaticContact CD2-CZ 3.95Å; F32-F121 HydrophobicContact CD2-CZ 3.95Å; F32-F121 HydrophobicContact CE2-CZ 4.4Å; P34-F121 WeakPolarHBondContact CA-O 3.28Å; P34-F121 HydrophobicContact CB-CD1 3.99Å; Y35-F121 PolarHBondContact N-O 3.46Å; D117-F121 HydrophobicContact CB-CD2 4.35Å; D117-F121 VanDerWaalsContact O-CD2 3.27Å; D117-F121 WeakPolarHBondContact O-CD2 3.25Å; D117-F121 PolarHBondContact O-N 2.91Å; A119-F121 PolarHBondContact O-N 3.04Å; F121-L160 HydrophobicContact CD1-CD2 3.95Å; F121-L160 HydrophobicContact CD2-CD2 4.37Å; F121-L160 HydrophobicContact CE1-CD1 4.14Å; F121-L160 HydrophobicContact CE1-CD2 3.92Å; F121-L160 HydrophobicContact CE2-CD1 4.24Å; F121-L160 HydrophobicContact CE2-CD2 4.38Å; F121-L160 HydrophobicContact CG-CD2 4.18Å; F121-L160 HydrophobicContact CZ-CD1 3.77Å; F121-L160 HydrophobicContact CZ-CD2 4.16Å
122S95.6Very high96.8Very high67 Ų6725.5 Ų25.547%0.46914%0.142SC..Hα-helixtrans-79.6-34.3177.9-54.40000113.3Y35 L118 A119Y35-S122 VanDerWaalsContact CB-O 3.29Å; Y35-S122 WeakPolarHBondContact CB-O 3.27Å; L118-S122 WeakPolarHBondContact O-CB 3.19Å; L118-S122 PolarHBondContact O-N 3.12Å; L118-S122 PolarHBondContact O-OG 2.89Å; A119-S122 PolarHBondContact O-N 3.31Å
123I96.1Very high96.7Very high66 Ų6626.3 Ų26.334%0.33815%0.147SC..Hα-helixtrans-92.5-36.4-174.4-68.1166.1000112.2A119 R125 F162A119-I123 HydrophobicContact CB-CD1 4.48Å; A119-I123 WeakPolarHBondContact O-CB 3.32Å; A119-I123 WeakPolarHBondContact O-CG1 3.29Å; A119-I123 PolarHBondContact O-N 2.93Å; I123-R125 VanDerWaalsContact C-N 3.28Å; I123-R125 HydrophobicContact CG2-CB 4.11Å; I123-R125 PolarHBondContact O-N 3.41Å; I123-F162 HydrophobicContact CB-CB 4.5Å; I123-F162 HydrophobicContact CD1-CD1 3.2Å; I123-F162 HydrophobicContact CD1-CE1 3.51Å; I123-F162 HydrophobicContact CD1-CG 4.07Å; I123-F162 HydrophobicContact CG1-CD1 4.44Å; I123-F162 HydrophobicContact CG2-CB 4.01Å; I123-F162 HydrophobicContact CG2-CG 4.41Å
124G94.7Very high96.7Very high0 Ų024.9 Ų24.90%014%0.14CC..  trans6329174.500000115Y35 R37 K120 P126 R159Y35-G124 WeakPolarHBondContact O-CA 3.4Å; R37-G124 WeakPolarHBondContact CD-O 3.25Å; R37-G124 WeakPolarHBondContact CG-O 3.43Å; K120-G124 PolarHBondContact O-N 3.37Å; K120-G124 VanDerWaalsContact O-N 3.09Å; G124-P126 VanDerWaalsContact O-CD 3.31Å; G124-P126 WeakPolarHBondContact O-CD 3.48Å; G124-R159 CarbonylContact C-O 3.4Å; G124-R159 VanDerWaalsContact CA-O 3.22Å; G124-R159 WeakPolarHBondContact CA-O 3.48Å
125R96.5Very high96.6Very high45 Ų4529.1 Ų29.117%0.1716%0.162CC..PPolyproline II helixtrans-65.5122.2-179.8177.7173.8-169-177.66.6111.6I123 R159 S161 F162 H219 S221 D222I123-R125 VanDerWaalsContact C-N 3.28Å; I123-R125 HydrophobicContact CG2-CB 4.11Å; I123-R125 PolarHBondContact O-N 3.41Å; R125-R159 CarbonylContact C-O 3.33Å; R125-R159 PolarHBondContact N-O 3.29Å; R125-R159 CarbonylContact O-C 3.16Å; R125-S161 WeakPolarHBondContact O-CB 3.4Å; R125-S161 PolarHBondContact O-N 3.45Å; R125-F162 HydrophobicContact CB-CB 3.85Å; R125-H219 VanDerWaalsContact CZ-CG 3.43Å; R125-H219 PolarHBondContact NE-CD2 3.47Å; R125-H219 PolarHBondContact NH2-CD2 2.9Å; R125-H219 PolarHBondContact NH2-ND1 2.95Å; R125-S221 PolarHBondContact NH1-OG 2.91Å; R125-D222 IonicContact CZ-OD1 3.57Å; R125-D222 IonicContact NE-OD1 3.84Å; R125-D222 IonicContact NH1-OD1 3.48Å; R125-D222 PolarHBondContact NH1-OD1 2.68Å; R125-D222 IonicContact NH1-OD2 3.83Å
126P97Very high96.4Very high0 Ų027.1 Ų27.10%015%0.154CC..PPolyproline II helixtrans-57.2137.1167.8-27.436.9000113.1V39 I46 G124 F130 S158 H219V39-P126 HydrophobicContact CG1-CG 3.67Å; I46-P126 HydrophobicContact CG2-CB 4.01Å; G124-P126 VanDerWaalsContact O-CD 3.31Å; G124-P126 WeakPolarHBondContact O-CD 3.48Å; P126-F130 HydrophobicContact CB-CB 3.72Å; P126-F130 HydrophobicContact CB-CD1 4.27Å; P126-F130 HydrophobicContact CB-CD2 4Å; P126-F130 HydrophobicContact CB-CG 3.73Å; P126-F130 HydrophobicContact CG-CG 4.45Å; P126-S158 CarbonylContact C-O 3.51Å; P126-S158 VanDerWaalsContact CA-O 3.3Å; P126-S158 WeakPolarHBondContact CA-O 3.35Å; P126-H219 PolarHBondContact O-NE2 2.88Å; P126-H219 VanDerWaalsContact O-NE2 3.1Å
127R97.8Very high96.1Very high23 Ų2334.7 Ų34.79%0.08719%0.187CC..PPolyproline II helixtrans-70.5160.5172.2-64.7-174.1-173.1-172.310.2110.2N129 F130 E157 S158 K217R127-N129 VanDerWaalsContact CB-OD1 3.29Å; R127-N129 WeakPolarHBondContact CB-OD1 3.44Å; R127-N129 PolarHBondContact O-N 3.22Å; R127-N129 VanDerWaalsContact O-N 3.08Å; R127-F130 VanDerWaalsContact O-CB 3.23Å; R127-F130 WeakPolarHBondContact O-CB 3.46Å; R127-F130 PolarHBondContact O-N 3.43Å; R127-E157 VanDerWaalsContact CZ-O 3.31Å; R127-E157 IonicContact CZ-OE1 2.82Å; R127-E157 PolarHBondContact NE-O 3.25Å; R127-E157 IonicContact NH1-OE1 2.7Å; R127-E157 PolarHBondContact NH1-OE1 3.18Å; R127-E157 PolarHBondContact NH2-O 3.23Å; R127-E157 VanDerWaalsContact NH2-O 3.08Å; R127-E157 IonicContact NH2-OE1 3.42Å; R127-E157 PolarHBondContact NH2-OE1 2.82Å; R127-S158 WeakPolarHBondContact CG-O 3.32Å; R127-S158 PolarHBondContact N-O 3.5Å; R127-K217 WeakPolarHBondContact CB-O 3.27Å; R127-K217 WeakPolarHBondContact CD-O 3.29Å; R127-K217 WeakPolarHBondContact CG-O 3.05Å
128P98.1Very high95.9Very high7 Ų739.2 Ų39.25%0.04522%0.215CC..THydrogen-bonded Turntrans-57.8-25.4177.3-25.333.2000115.1D45 I46 K47 Y48D45-P128 WeakPolarHBondContact O-CA 3.43Å; D45-P128 WeakPolarHBondContact O-CB 3.5Å; I46-P128 CarbonylContact C-O 2.88Å; I46-P128 WeakPolarHBondContact CA-O 3.36Å; I46-P128 VanDerWaalsContact O-O 3.07Å; K47-P128 PolarHBondContact N-O 3.17Å; Y48-P128 WeakPolarHBondContact CB-O 3.08Å; Y48-P128 HydrophobicContact CD2-CB 3.83Å; Y48-P128 HydrophobicContact CG-CB 4.16Å; Y48-P128 PolarHBondContact N-O 3.46Å
129N97.1Very high95.7Very high5 Ų537.1 Ų37.13%0.02721%0.207CC..THydrogen-bonded Turntrans-95.414.2177.865.6-1.1000114.6Y48 R127 M131 A132 V133 Y216Y48-N129 WeakPolarHBondContact O-CA 3.37Å; R127-N129 VanDerWaalsContact CB-OD1 3.29Å; R127-N129 WeakPolarHBondContact CB-OD1 3.44Å; R127-N129 PolarHBondContact O-N 3.22Å; R127-N129 VanDerWaalsContact O-N 3.08Å; N129-M131 PolarHBondContact O-N 3.37Å; N129-A132 PolarHBondContact O-N 3.44Å; N129-V133 WeakPolarHBondContact O-CG2 3.47Å; N129-V133 PolarHBondContact O-N 3.5Å; N129-V133 VanDerWaalsContact O-N 3.14Å; N129-Y216 PolarHBondContact N-O 2.87Å
130F97.2Very high95.5Very high0 Ų044.9 Ų44.90%024%0.237CC..Hα-helixtrans-58.1-46.2-173.1171.8-94.6000113V39 I46 P126 R127 A132 V133 C134 I146 V155 S158 R159V39-F130 HydrophobicContact CG1-CE1 4.24Å; V39-F130 HydrophobicContact CG2-CE1 4.32Å; I46-F130 HydrophobicContact CB-CB 4.33Å; I46-F130 HydrophobicContact CD1-CD1 4.26Å; I46-F130 PolarHBondContact O-N 3.31Å; P126-F130 HydrophobicContact CB-CB 3.72Å; P126-F130 HydrophobicContact CB-CD1 4.27Å; P126-F130 HydrophobicContact CB-CD2 4Å; P126-F130 HydrophobicContact CB-CG 3.73Å; P126-F130 HydrophobicContact CG-CG 4.45Å; R127-F130 VanDerWaalsContact O-CB 3.23Å; R127-F130 WeakPolarHBondContact O-CB 3.46Å; R127-F130 PolarHBondContact O-N 3.43Å; F130-A132 VanDerWaalsContact C-N 3.33Å; F130-A132 PolarHBondContact O-N 2.88Å; F130-V133 PolarHBondContact O-N 2.94Å; F130-V133 VanDerWaalsContact O-N 3.17Å; F130-C134 HydrophobicContact CD1-CB 4.48Å; F130-C134 HydrophobicContact CE1-CB 4.07Å; F130-C134 HydrophobicContact CE2-CB 4.47Å; F130-C134 HydrophobicContact CZ-CB 4.05Å; F130-C134 VanDerWaalsContact O-CB 3.28Å; F130-C134 WeakPolarHBondContact O-CB 3.35Å; F130-C134 PolarHBondContact O-N 3.47Å; F130-I146 HydrophobicContact CE1-CD1 4.39Å; F130-I146 HydrophobicContact CE1-CG2 4.39Å; F130-I146 HydrophobicContact CZ-CG2 4.01Å; F130-V155 HydrophobicContact CE2-CG1 4.41Å; F130-S158 WeakPolarHBondContact CD2-OG 3.18Å; F130-R159 HydrophobicContact CD2-CG 4.13Å; F130-R159 HydrophobicContact CE2-CG 3.71Å
131M96.7Very high95.3Very high24 Ų2445.7 Ų45.712%0.11825%0.25CS..Hα-helixtrans-66.1-37.6-176.6-65.7-67-98.500111.9C41 I46 K47 N129 V133 C134 N135 P136 I146C41-M131 HydrophobicContact CB-CE 4.43Å; I46-M131 HydrophobicContact CB-CG 4.43Å; I46-M131 HydrophobicContact CD1-CG 3.9Å; I46-M131 HydrophobicContact CD1-SD 4.12Å; I46-M131 HydrophobicContact CG1-CG 3.82Å; I46-M131 VanDerWaalsContact O-CB 3.31Å; I46-M131 WeakPolarHBondContact O-CB 3.32Å; I46-M131 VanDerWaalsContact O-CG 3.23Å; I46-M131 WeakPolarHBondContact O-CG 3.18Å; I46-M131 PolarHBondContact O-N 2.84Å; K47-M131 HydrophobicContact CG-CB 4.28Å; K47-M131 HydrophobicContact CG-CG 4.05Å; N129-M131 PolarHBondContact O-N 3.37Å; M131-V133 VanDerWaalsContact C-N 3.32Å; M131-V133 PolarHBondContact O-N 2.92Å; M131-C134 PolarHBondContact O-N 3.36Å; M131-N135 PolarHBondContact O-N 3.29Å; M131-P136 HydrophobicContact CE-CG 4.46Å; M131-I146 HydrophobicContact SD-CD1 4.25Å
132A96.5Very high95.3Very high49 Ų4951 Ų5141%0.40527%0.271SS..Hα-helixtrans-63.9-36.6174.700000112.3N129 F130N129-A132 PolarHBondContact O-N 3.44Å; F130-A132 VanDerWaalsContact C-N 3.33Å; F130-A132 PolarHBondContact O-N 2.88Å
133V96.7Very high95.2Very high18 Ų1849.2 Ų49.211%0.10926%0.257CS..Hα-helixtrans-78.1-40.3177.5177.10000111.9L50 N129 F130 M131 G150 H154 V155L50-V133 HydrophobicContact CD1-CG2 3.9Å; N129-V133 WeakPolarHBondContact O-CG2 3.47Å; N129-V133 PolarHBondContact O-N 3.5Å; N129-V133 VanDerWaalsContact O-N 3.14Å; F130-V133 PolarHBondContact O-N 2.94Å; F130-V133 VanDerWaalsContact O-N 3.17Å; M131-V133 VanDerWaalsContact C-N 3.32Å; M131-V133 PolarHBondContact O-N 2.92Å; V133-G150 WeakPolarHBondContact O-CA 3.42Å; V133-H154 HydrophobicContact CG1-CB 3.71Å; V133-V155 HydrophobicContact CG1-CG2 4.14Å
134C95.8Very high94.9Very high0 Ų051.2 Ų51.20%027%0.268CS..Hα-helixtrans-66.6-43.4179.9174.30000111.7F130 M131 C148 T149 G150F130-C134 HydrophobicContact CD1-CB 4.48Å; F130-C134 HydrophobicContact CE1-CB 4.07Å; F130-C134 HydrophobicContact CE2-CB 4.47Å; F130-C134 HydrophobicContact CZ-CB 4.05Å; F130-C134 VanDerWaalsContact O-CB 3.28Å; F130-C134 WeakPolarHBondContact O-CB 3.35Å; F130-C134 PolarHBondContact O-N 3.47Å; M131-C134 PolarHBondContact O-N 3.36Å; C134-C148 HydrophobicContact CB-CB 3.96Å; C134-C148 WeakPolarHBondContact CB-SG 3.46Å; C134-C148 CarbonylContact O-C 3.43Å; C134-C148 WeakPolarHBondContact O-CA 3.46Å; C134-C148 WeakPolarHBondContact O-CB 3.49Å; C134-C148 WeakPolarHBondContact SG-CA 3.39Å; C134-C148 WeakPolarHBondContact SG-CB 3.14Å; C134-C148 CovalentContact SG-SG 2.03Å; C134-C148 PolarHBondContact SG-SG 3.43Å; C134-T149 PolarHBondContact O-N 3.35Å; C134-G150 PolarHBondContact O-N 2.93Å
135N95.8Very high94.6Very high96 Ų9657.8 Ų57.851%0.51330%0.303SS..  trans47.566.3-174.1-167.952.2000112.1M131 T149M131-N135 PolarHBondContact O-N 3.29Å; N135-T149 PolarHBondContact ND2-OG1 3.09Å; N135-T149 PolarHBondContact O-N 2.85Å; N135-T149 PolarHBondContact O-OG1 3.02Å; N135-T149 VanDerWaalsContact O-OG1 3.12Å
136P94.8Very high94.3Very high33 Ų3356 Ų5621%0.21430%0.297CS..BIsolated β-bridgetrans-70.6138.1-173.529.7-35.1000112.1M131 C139 I146 N147M131-P136 HydrophobicContact CE-CG 4.46Å; P136-C139 HydrophobicContact CB-CB 4.24Å; P136-C139 HydrophobicContact CG-CB 4.07Å; P136-I146 HydrophobicContact CB-CD1 3.76Å; P136-I146 HydrophobicContact CB-CG1 3.81Å; P136-I146 HydrophobicContact CG-CD1 4.09Å; P136-N147 WeakPolarHBondContact CA-O 3.23Å
137K90.9Very high94.1Very high159 Ų15961.1 Ų61.169%0.69132%0.324SS*.SBendtrans-67.5-39.4174.6-67.8-171.7178.1179.70112.7N147 T149K137-N147 PolarHBondContact N-O 3.02Å; K137-T149 HydrophobicContact CD-CG2 4.1Å; K137-T149 HydrophobicContact CG-CG2 3.46Å; K137-T149 VanDerWaalsContact CG-CG2 3.46Å
138V90.7Very high93.9Very high107 Ų10761.5 Ų61.565%0.64833%0.33SS*.  trans-140.5128.1179.7-178.30000107.3
139C92Very high93.8Very high36 Ų3664.3 Ų64.324%0.24335%0.347CS..  trans-144.1118.4174.2-154.40000108.3C41 P136C41-C139 HydrophobicContact CB-CB 3.74Å; C41-C139 WeakPolarHBondContact CB-SG 3.49Å; C41-C139 WeakPolarHBondContact SG-CA 3.04Å; C41-C139 WeakPolarHBondContact SG-CB 3.5Å; C41-C139 CovalentContact SG-SG 2.02Å; C41-C139 PolarHBondContact SG-SG 3.24Å; P136-C139 HydrophobicContact CB-CB 4.24Å; P136-C139 HydrophobicContact CG-CB 4.07Å
140K92.9Very high93.7Very high179 Ų17965.1 Ų65.178%0.77836%0.357SS*.  trans-142132.2173.2-67-173.2178.2-177.60109.9C41C41-K140 PolarHBondContact SG-N 3.16Å
141G93.6Very high93.7Very high34 Ų3469.4 Ų69.435%0.35138%0.38SS..SBendtrans61.7-142.3177.800000113.2C41C41-G141 PolarHBondContact N-O 2.94Å; C41-G141 PolarHBondContact SG-O 3.07Å; C41-G141 VanDerWaalsContact SG-O 3.32Å
142Y94.7Very high93.6Very high123 Ų12373.1 Ų73.148%0.48241%0.406SS..EExtended strand (participates in β ladder)trans-86.7129.2175.9-179.5-102.3000111.2G38 Y40G38-Y142 WeakPolarHBondContact CA-OH 3.32Å; Y40-Y142 HydrophobicContact CD1-CD2 4.18Å; Y40-Y142 AromaticContact CD2-CD2 3.89Å; Y40-Y142 HydrophobicContact CD2-CD2 3.89Å; Y40-Y142 HydrophobicContact CD2-CE2 4.49Å; Y40-Y142 AromaticContact CE1-CD2 3.9Å; Y40-Y142 HydrophobicContact CE1-CD2 3.9Å; Y40-Y142 HydrophobicContact CE1-CG 4.19Å; Y40-Y142 AromaticContact CE2-CD2 3.58Å; Y40-Y142 HydrophobicContact CE2-CD2 3.58Å; Y40-Y142 HydrophobicContact CE2-CE2 4.07Å; Y40-Y142 HydrophobicContact CG-CD2 4.18Å; Y40-Y142 AromaticContact CZ-CD2 3.58Å
143V93.6Very high93.5Very high29 Ų2979.2 Ų79.218%0.17642%0.418CS..EExtended strand (participates in β ladder)trans-129.5120.7-178.9-176.20000109.7G38 V39 D145 I146G38-V143 CarbonylContact C-O 3.55Å; G38-V143 WeakPolarHBondContact CA-O 3.1Å; V39-V143 PolarHBondContact N-O 3.21Å; V39-V143 PolarHBondContact O-N 2.85Å; V143-D145 WeakPolarHBondContact CG1-O 3.15Å; V143-I146 HydrophobicContact CG1-CB 3.97Å
144L89.4Confident93.4Very high108 Ų10883.4 Ų83.457%0.56544%0.436SS*.SBendtrans-76.4-50.7175.4-174.467.4000111.2
145D88.7Confident93.4Very high138 Ų13884.1 Ų84.174%0.73844%0.44SS*.SBendtrans-112.7109.3177.1-170.711.8000110.1V143V143-D145 WeakPolarHBondContact CG1-O 3.15Å
146I91.1Very high93.4Very high9 Ų981.4 Ų81.45%0.04643%0.427CS..  trans-102.6125.2-173.4-174.3171000109.5V39 F130 M131 P136 V143 C148V39-I146 HydrophobicContact CG2-CD1 4.08Å; F130-I146 HydrophobicContact CE1-CD1 4.39Å; F130-I146 HydrophobicContact CE1-CG2 4.39Å; F130-I146 HydrophobicContact CZ-CG2 4.01Å; M131-I146 HydrophobicContact SD-CD1 4.25Å; P136-I146 HydrophobicContact CB-CD1 3.76Å; P136-I146 HydrophobicContact CB-CG1 3.81Å; P136-I146 HydrophobicContact CG-CD1 4.09Å; V143-I146 HydrophobicContact CG1-CB 3.97Å; I146-C148 VanDerWaalsContact C-N 3.32Å; I146-C148 PolarHBondContact O-N 3.49Å
147N92.2Very high93.4Very high106 Ų10683 Ų8357%0.56743%0.432SS*.  trans-78.480.7-177.7-167.16000111.2P136 K137P136-N147 WeakPolarHBondContact CA-O 3.23Å; K137-N147 PolarHBondContact N-O 3.02Å
148C94.4Very high93.7Very high31 Ų3175.6 Ų75.621%0.20940%0.4CS..BIsolated β-bridgetrans-73.3136.2177.4-60.30000111.5C134 I146 V155C134-C148 HydrophobicContact CB-CB 3.96Å; C134-C148 WeakPolarHBondContact CB-SG 3.46Å; C134-C148 CarbonylContact O-C 3.43Å; C134-C148 WeakPolarHBondContact O-CA 3.46Å; C134-C148 WeakPolarHBondContact O-CB 3.49Å; C134-C148 WeakPolarHBondContact SG-CA 3.39Å; C134-C148 WeakPolarHBondContact SG-CB 3.14Å; C134-C148 CovalentContact SG-SG 2.03Å; C134-C148 PolarHBondContact SG-SG 3.43Å; I146-C148 VanDerWaalsContact C-N 3.32Å; I146-C148 PolarHBondContact O-N 3.49Å; C148-V155 HydrophobicContact CB-CG1 4.13Å; C148-V155 HydrophobicContact CB-CG2 4.04Å
149T96Very high94Very high66 Ų6671.1 Ų71.141%0.40537%0.372SS..  trans-98.5-7.3170.775.30000113.4C134 N135 K137C134-T149 PolarHBondContact O-N 3.35Å; N135-T149 PolarHBondContact ND2-OG1 3.09Å; N135-T149 PolarHBondContact O-N 2.85Å; N135-T149 PolarHBondContact O-OG1 3.02Å; N135-T149 VanDerWaalsContact O-OG1 3.12Å; K137-T149 HydrophobicContact CD-CG2 4.1Å; K137-T149 HydrophobicContact CG-CG2 3.46Å; K137-T149 VanDerWaalsContact CG-CG2 3.46Å
150G94.6Very high94.2Very high22 Ų2269.9 Ų69.923%0.22736%0.363CS..SBendtrans-67.2174177.900000113.6V133 C134 P152V133-G150 WeakPolarHBondContact O-CA 3.42Å; C134-G150 PolarHBondContact O-N 2.93Å; G150-P152 WeakPolarHBondContact O-CD 3.26Å
151N96.3Very high94.4Very high91 Ų9161.3 Ų61.349%0.48733%0.325SS..  trans-59.7122.6177.5-178.7-62000110.4R153 H154 V155N151-R153 PolarHBondContact O-N 3.22Å; N151-R153 VanDerWaalsContact O-N 3.13Å; N151-R153 WeakPolarHBondContact OD1-CB 3.29Å; N151-R153 PolarHBondContact OD1-N 3.37Å; N151-H154 HydrophobicContact CB-CB 4.18Å; N151-H154 PolarHBondContact O-N 3.14Å; N151-H154 PolarHBondContact OD1-CD2 2.94Å; N151-H154 PolarHBondContact OD1-N 2.85Å; N151-V155 WeakPolarHBondContact O-CG2 3.24Å; N151-V155 PolarHBondContact O-N 2.95Å
152P94.5Very high94.5Very high102 Ų10262.1 Ų62.166%0.66232%0.319SS*.Hα-helixtrans-55.5-37.3-174.3-28.234.5000113.9G150 V155 T156G150-P152 WeakPolarHBondContact O-CD 3.26Å; P152-V155 PolarHBondContact O-N 3.47Å; P152-T156 PolarHBondContact O-N 2.89Å; P152-T156 PolarHBondContact O-OG1 2.59Å; P152-T156 VanDerWaalsContact O-OG1 3.08Å
153R94.7Very high94.6Very high177 Ų17757 Ų5767%0.66830%0.299SS*.Hα-helixtrans-66.7-43.1179-173.3177.6-179158.41.8111.4F32 N151 V155 T156 E157F32-R153 HydrophobicContact CE1-CG 4.04Å; F32-R153 HydrophobicContact CZ-CG 4.4Å; N151-R153 PolarHBondContact O-N 3.22Å; N151-R153 VanDerWaalsContact O-N 3.13Å; N151-R153 WeakPolarHBondContact OD1-CB 3.29Å; N151-R153 PolarHBondContact OD1-N 3.37Å; R153-V155 VanDerWaalsContact C-N 3.35Å; R153-T156 PolarHBondContact O-N 2.95Å; R153-E157 WeakPolarHBondContact O-CB 3.47Å; R153-E157 PolarHBondContact O-N 3.38Å
154H95.5Very high94.8Very high106 Ų10655.6 Ų55.649%0.49129%0.291SS..Hα-helixtrans-69.6-35.2179-69.4-127.6000111.3V133 N151 E157 S158V133-H154 HydrophobicContact CG1-CB 3.71Å; N151-H154 HydrophobicContact CB-CB 4.18Å; N151-H154 PolarHBondContact O-N 3.14Å; N151-H154 PolarHBondContact OD1-CD2 2.94Å; N151-H154 PolarHBondContact OD1-N 2.85Å; H154-E157 PolarHBondContact O-N 3.27Å; H154-S158 WeakPolarHBondContact O-CB 3.14Å; H154-S158 PolarHBondContact O-N 3.13Å; H154-S158 PolarHBondContact O-OG 3.06Å
155V95.9Very high95.2Very high14 Ų1450.5 Ų50.59%0.08526%0.264CS..Hα-helixtrans-65.2-43.1173.8174.30000111.4F130 V133 C148 N151 P152 R153 E157 S158 R159F130-V155 HydrophobicContact CE2-CG1 4.41Å; V133-V155 HydrophobicContact CG1-CG2 4.14Å; C148-V155 HydrophobicContact CB-CG1 4.13Å; C148-V155 HydrophobicContact CB-CG2 4.04Å; N151-V155 WeakPolarHBondContact O-CG2 3.24Å; N151-V155 PolarHBondContact O-N 2.95Å; P152-V155 PolarHBondContact O-N 3.47Å; R153-V155 VanDerWaalsContact C-N 3.35Å; V155-E157 VanDerWaalsContact C-N 3.33Å; V155-S158 WeakPolarHBondContact CA-OG 3.3Å; V155-S158 PolarHBondContact O-N 3.48Å; V155-S158 PolarHBondContact O-OG 2.91Å; V155-R159 PolarHBondContact O-N 3.2Å
156T95.5Very high95.6Very high39 Ų3944.3 Ų44.324%0.23923%0.231CC..Hα-helixtrans-62.1-44.5173.3-62.70000110.7F32 P34 P152 R153 S158 R159F32-T156 HydrophobicContact CD1-CG2 3.84Å; F32-T156 HydrophobicContact CE1-CG2 3.56Å; F32-T156 HydrophobicContact CZ-CG2 4.17Å; P34-T156 VanDerWaalsContact CD-CG2 3.5Å; P34-T156 HydrophobicContact CG-CG2 3.91Å; P152-T156 PolarHBondContact O-N 2.89Å; P152-T156 PolarHBondContact O-OG1 2.59Å; P152-T156 VanDerWaalsContact O-OG1 3.08Å; R153-T156 PolarHBondContact O-N 2.95Å; T156-S158 VanDerWaalsContact C-N 3.31Å; T156-S158 PolarHBondContact O-N 3.02Å; T156-R159 WeakPolarHBondContact O-CB 3.16Å; T156-R159 PolarHBondContact O-N 3.46Å; T156-R159 VanDerWaalsContact O-N 3.08Å
157E95.2Very high96Very high67 Ų6743.9 Ų43.931%0.31323%0.229SC..Hα-helixtrans-65.8-34.4-179.6-142.5-153.4127.900112.9F32 R127 R153 H154 V155 R159 L160F32-E157 HydrophobicContact CZ-CG 4.42Å; R127-E157 VanDerWaalsContact CZ-O 3.31Å; R127-E157 IonicContact CZ-OE1 2.82Å; R127-E157 PolarHBondContact NE-O 3.25Å; R127-E157 IonicContact NH1-OE1 2.7Å; R127-E157 PolarHBondContact NH1-OE1 3.18Å; R127-E157 PolarHBondContact NH2-O 3.23Å; R127-E157 VanDerWaalsContact NH2-O 3.08Å; R127-E157 IonicContact NH2-OE1 3.42Å; R127-E157 PolarHBondContact NH2-OE1 2.82Å; R153-E157 WeakPolarHBondContact O-CB 3.47Å; R153-E157 PolarHBondContact O-N 3.38Å; H154-E157 PolarHBondContact O-N 3.27Å; V155-E157 VanDerWaalsContact C-N 3.33Å; E157-R159 PolarHBondContact O-N 3.37Å; E157-L160 HydrophobicContact CG-CD1 4.44Å; E157-L160 WeakPolarHBondContact O-CB 3.4Å; E157-L160 PolarHBondContact O-N 2.97Å
158S96.3Very high96.3Very high4 Ų438.8 Ų38.83%0.02820%0.202CC..THydrogen-bonded Turntrans-70.2-5.7175.770.10000113.1P126 R127 F130 H154 V155 T156P126-S158 CarbonylContact C-O 3.51Å; P126-S158 VanDerWaalsContact CA-O 3.3Å; P126-S158 WeakPolarHBondContact CA-O 3.35Å; R127-S158 WeakPolarHBondContact CG-O 3.32Å; R127-S158 PolarHBondContact N-O 3.5Å; F130-S158 WeakPolarHBondContact CD2-OG 3.18Å; H154-S158 WeakPolarHBondContact O-CB 3.14Å; H154-S158 PolarHBondContact O-N 3.13Å; H154-S158 PolarHBondContact O-OG 3.06Å; V155-S158 WeakPolarHBondContact CA-OG 3.3Å; V155-S158 PolarHBondContact O-N 3.48Å; V155-S158 PolarHBondContact O-OG 2.91Å; T156-S158 VanDerWaalsContact C-N 3.31Å; T156-S158 PolarHBondContact O-N 3.02Å
159R96.1Very high96.4Very high13 Ų1339.4 Ų39.45%0.04920%0.201CC..THydrogen-bonded Turntrans-93.60.6168.3-64.4177.6171.6-86.15.7114P34 R37 G124 R125 F130 V155 T156 E157P34-R159 HydrophobicContact CG-CB 4.33Å; R37-R159 PolarHBondContact O-NH1 2.87Å; G124-R159 CarbonylContact C-O 3.4Å; G124-R159 VanDerWaalsContact CA-O 3.22Å; G124-R159 WeakPolarHBondContact CA-O 3.48Å; R125-R159 CarbonylContact C-O 3.33Å; R125-R159 PolarHBondContact N-O 3.29Å; R125-R159 CarbonylContact O-C 3.16Å; F130-R159 HydrophobicContact CD2-CG 4.13Å; F130-R159 HydrophobicContact CE2-CG 3.71Å; V155-R159 PolarHBondContact O-N 3.2Å; T156-R159 WeakPolarHBondContact O-CB 3.16Å; T156-R159 PolarHBondContact O-N 3.46Å; T156-R159 VanDerWaalsContact O-N 3.08Å; E157-R159 PolarHBondContact O-N 3.37Å
160L96.4Very high96.5Very high9 Ų936.2 Ų36.25%0.04718%0.181CC..  trans-103.950.6-176.1-57177.3000112.2F32 P34 K120 F121 E157F32-L160 HydrophobicContact CE2-CD1 4.27Å; P34-L160 HydrophobicContact CB-CD2 3.55Å; P34-L160 HydrophobicContact CG-CD2 3.91Å; K120-L160 HydrophobicContact CB-CB 4.26Å; K120-L160 HydrophobicContact CB-CD2 4.19Å; K120-L160 HydrophobicContact CD-CB 4.35Å; K120-L160 HydrophobicContact CG-CB 4.46Å; F121-L160 HydrophobicContact CD1-CD2 3.95Å; F121-L160 HydrophobicContact CD2-CD2 4.37Å; F121-L160 HydrophobicContact CE1-CD1 4.14Å; F121-L160 HydrophobicContact CE1-CD2 3.92Å; F121-L160 HydrophobicContact CE2-CD1 4.24Å; F121-L160 HydrophobicContact CE2-CD2 4.38Å; F121-L160 HydrophobicContact CG-CD2 4.18Å; F121-L160 HydrophobicContact CZ-CD1 3.77Å; F121-L160 HydrophobicContact CZ-CD2 4.16Å; E157-L160 HydrophobicContact CG-CD1 4.44Å; E157-L160 WeakPolarHBondContact O-CB 3.4Å; E157-L160 PolarHBondContact O-N 2.97Å
161S97.2Very high96.7Very high0 Ų036 Ų360%017%0.174CC..  trans-83.7-42.7-175.2-1540000113.8R125 Y163 H218 D222R125-S161 WeakPolarHBondContact O-CB 3.4Å; R125-S161 PolarHBondContact O-N 3.45Å; S161-Y163 CarbonylContact O-C 2.94Å; S161-Y163 WeakPolarHBondContact O-CA 3.39Å; S161-H218 PolarHBondContact O-CE1 3.49Å; S161-H218 PolarHBondContact O-ND1 2.95Å; S161-H218 PolarHBondContact OG-ND1 3.46Å; S161-D222 PolarHBondContact OG-OD2 2.66Å
162F97.1Very high96.8Very high50 Ų5031.6 Ų31.622%0.21915%0.151CC..SBendtrans-90.1124.2-173.1-171.3-81.8000112.3A119 K120 I123 R125 D222 V225A119-F162 CarbonylContact C-O 3.39Å; A119-F162 HydrophobicContact CB-CD1 4.41Å; K120-F162 WeakPolarHBondContact CA-O 3.3Å; K120-F162 VanDerWaalsContact CG-O 3.32Å; K120-F162 WeakPolarHBondContact CG-O 3.41Å; K120-F162 PolarHBondContact N-O 3.37Å; K120-F162 VanDerWaalsContact N-O 3.14Å; I123-F162 HydrophobicContact CB-CB 4.5Å; I123-F162 HydrophobicContact CD1-CD1 3.2Å; I123-F162 HydrophobicContact CD1-CE1 3.51Å; I123-F162 HydrophobicContact CD1-CG 4.07Å; I123-F162 HydrophobicContact CG1-CD1 4.44Å; I123-F162 HydrophobicContact CG2-CB 4.01Å; I123-F162 HydrophobicContact CG2-CG 4.41Å; R125-F162 HydrophobicContact CB-CB 3.85Å; F162-D222 WeakPolarHBondContact CD2-OD1 3.31Å; F162-V225 HydrophobicContact CE1-CG1 4.48Å; F162-V225 HydrophobicContact CE2-CB 4.48Å; F162-V225 HydrophobicContact CE2-CG2 4.14Å; F162-V225 HydrophobicContact CZ-CB 4.32Å; F162-V225 HydrophobicContact CZ-CG1 3.95Å; F162-V225 HydrophobicContact CZ-CG2 4.13Å
163Y96.9Very high97Very high15 Ų1526.8 Ų26.86%0.05912%0.12CC..SBendcis-98.7171.5-19.956.2-103.8000110.1T116 A119 K120 S161 G165 D222 V225 G226 Q229T116-Y163 WeakPolarHBondContact CA-OH 3.2Å; T116-Y163 HydrophobicContact CG2-CD2 4.37Å; T116-Y163 HydrophobicContact CG2-CE2 4.06Å; T116-Y163 PolarHBondContact N-OH 3.03Å; T116-Y163 WeakPolarHBondContact OG1-CE2 3.4Å; T116-Y163 PolarHBondContact OG1-OH 3.41Å; A119-Y163 HydrophobicContact CB-CD1 4Å; A119-Y163 HydrophobicContact CB-CE1 3.83Å; K120-Y163 VanDerWaalsContact CE-O 3.23Å; K120-Y163 WeakPolarHBondContact CE-O 3.27Å; S161-Y163 CarbonylContact O-C 2.94Å; S161-Y163 WeakPolarHBondContact O-CA 3.39Å; Y163-G165 PolarHBondContact O-N 2.93Å; Y163-D222 WeakPolarHBondContact CB-O 3.31Å; Y163-V225 HydrophobicContact CD1-CB 4.49Å; Y163-V225 HydrophobicContact CD1-CG1 3.53Å; Y163-V225 HydrophobicContact CE1-CG1 4.21Å; Y163-V225 HydrophobicContact CG-CB 4.33Å; Y163-V225 HydrophobicContact CG-CG1 3.8Å; Y163-G226 VanDerWaalsContact CD2-CA 3.46Å; Y163-Q229 HydrophobicContact CE2-CB 4.18Å; Y163-Q229 HydrophobicContact CE2-CG 4.24Å; Y163-Q229 WeakPolarHBondContact OH-CG 3.3Å; Y163-Q229 PolarHBondContact OH-OE1 2.92Å
164S97.9Very high97.1Very high0 Ų018.4 Ų18.40%09%0.088CC..PPolyproline II helixtrans-63.6122.1-171.6169.20000112.3S167 S168 D222S164-S167 VanDerWaalsContact CB-OG 3.29Å; S164-S167 WeakPolarHBondContact CB-OG 3.34Å; S164-S167 PolarHBondContact O-N 3.47Å; S164-S167 WeakPolarHBondContact OG-CB 3.47Å; S164-S167 PolarHBondContact OG-N 3.41Å; S164-S167 VanDerWaalsContact OG-N 3.13Å; S164-S167 PolarHBondContact OG-OG 3.02Å; S164-S168 PolarHBondContact O-N 2.97Å; S164-S168 PolarHBondContact O-OG 2.97Å; S164-D222 PolarHBondContact N-O 3.48Å
165G96.7Very high97.3Very high1 Ų114.9 Ų14.91%0.017%0.073CC..Hα-helixtrans-70.5-33.7175.900000113.7Y163 S168 F169Y163-G165 PolarHBondContact O-N 2.93Å; G165-S168 WeakPolarHBondContact CA-OG 3.34Å; G165-S168 PolarHBondContact O-OG 3.02Å; G165-F169 WeakPolarHBondContact O-CB 3.49Å; G165-F169 PolarHBondContact O-N 2.63Å
166H97.6Very high97.4Very high8 Ų814.2 Ų14.24%0.0377%0.069CC..Hα-helixtrans-66.9-42175.1-71.785000111.3H57 L60 G170 V208 R212H57-H166 AromaticContact CD2-CE1 3.19Å; H57-H166 PolarHBondContact CD2-CE1 3.31Å; H57-H166 AromaticContact CD2-NE2 3.55Å; H57-H166 AromaticContact CE1-CE1 3.25Å; H57-H166 PolarHBondContact CE1-CE1 3.44Å; H57-H166 AromaticContact CE1-ND1 3.57Å; H57-H166 AromaticContact CE1-NE2 3.73Å; H57-H166 AromaticContact CG-CE1 3.54Å; H57-H166 AromaticContact CG-NE2 3.45Å; H57-H166 PolarHBondContact N-NE2 2.92Å; H57-H166 AromaticContact ND1-CE1 3.58Å; H57-H166 AromaticContact ND1-NE2 3.57Å; H57-H166 AromaticContact NE2-CE1 2.98Å; H57-H166 PolarHBondContact NE2-CE1 2.98Å; H57-H166 AromaticContact NE2-ND1 3.58Å; H57-H166 AromaticContact NE2-NE2 3.72Å; L60-H166 HydrophobicContact CD2-CB 4.13Å; H166-G170 WeakPolarHBondContact O-CA 3.22Å; H166-G170 PolarHBondContact O-N 3.04Å; H166-V208 HydrophobicContact CB-CG1 3.84Å; H166-R212 HydrophobicContact CB-CG 3.9Å; H166-R212 PolarHBondContact CD2-NH1 2.86Å; H166-R212 PolarHBondContact CE1-NH1 3.04Å; H166-R212 PolarHBondContact ND1-NH1 3.12Å; H166-R212 PolarHBondContact NE2-NH1 3.08Å
167S98.3Very high97.4Very high0 Ų012.3 Ų12.30%06%0.057CC..Hα-helixtrans-69.4-46.4-178.4-53.90000111.4S164 M171 G209 V223S164-S167 VanDerWaalsContact CB-OG 3.29Å; S164-S167 WeakPolarHBondContact CB-OG 3.34Å; S164-S167 PolarHBondContact O-N 3.47Å; S164-S167 WeakPolarHBondContact OG-CB 3.47Å; S164-S167 PolarHBondContact OG-N 3.41Å; S164-S167 VanDerWaalsContact OG-N 3.13Å; S164-S167 PolarHBondContact OG-OG 3.02Å; S167-M171 WeakPolarHBondContact O-CB 3.44Å; S167-M171 PolarHBondContact O-N 3.25Å; S167-G209 WeakPolarHBondContact OG-CA 3.3Å; S167-V223 WeakPolarHBondContact OG-CG1 3.35Å
168S98.3Very high97.5Very high0 Ų09.4 Ų9.40%04%0.044CC..Hα-helixtrans-65.1-50.1177.349.30000113.1T116 S164 G165 Y172 G226T116-S168 PolarHBondContact OG1-OG 3.16Å; T116-S168 VanDerWaalsContact OG1-OG 3.13Å; S164-S168 PolarHBondContact O-N 2.97Å; S164-S168 PolarHBondContact O-OG 2.97Å; G165-S168 WeakPolarHBondContact CA-OG 3.34Å; G165-S168 PolarHBondContact O-OG 3.02Å; S168-Y172 VanDerWaalsContact O-CB 3.32Å; S168-Y172 WeakPolarHBondContact O-CB 3.28Å; S168-Y172 PolarHBondContact O-N 2.93Å; S168-G226 WeakPolarHBondContact CA-O 3.18Å; S168-G226 WeakPolarHBondContact CB-O 3.29Å
169F97.8Very high97.5Very high43 Ų4311.1 Ų11.119%0.1895%0.053CC..Hα-helixtrans-62.9-48.8178.3-173.4-112000111.7L60 T64 Q113 G165 M171 Y172 C173L60-F169 HydrophobicContact CD2-CD1 3.9Å; L60-F169 HydrophobicContact CG-CD1 4.03Å; L60-F169 HydrophobicContact CG-CE1 4.47Å; T64-F169 HydrophobicContact CG2-CE1 4.24Å; Q113-F169 HydrophobicContact CG-CD2 4.16Å; G165-F169 WeakPolarHBondContact O-CB 3.49Å; G165-F169 PolarHBondContact O-N 2.63Å; F169-M171 PolarHBondContact O-N 2.96Å; F169-Y172 PolarHBondContact O-N 3.34Å; F169-C173 VanDerWaalsContact CE2-SG 3.57Å; F169-C173 VanDerWaalsContact CZ-SG 3.54Å; F169-C173 WeakPolarHBondContact O-CB 3.45Å; F169-C173 PolarHBondContact O-N 2.93Å; F169-C173 PolarHBondContact O-SG 3.34Å
170G98.1Very high97.3Very high0 Ų010.6 Ų10.60%05%0.051CC..Hα-helixtrans-59.3-47.1179.900000112.1H166 C173 M174H166-G170 WeakPolarHBondContact O-CA 3.22Å; H166-G170 PolarHBondContact O-N 3.04Å; G170-C173 PolarHBondContact O-N 3.06Å; G170-M174 WeakPolarHBondContact O-CB 3.43Å; G170-M174 VanDerWaalsContact O-CG 3.31Å; G170-M174 WeakPolarHBondContact O-CG 3.4Å; G170-M174 PolarHBondContact O-N 3.34Å
171M98.6Very high97.2Very high16 Ų1610.6 Ų10.68%0.0795%0.052CC..Hα-helixtrans-64.8-45.8178-175.958.570.900112.3S167 F169 C173 L175 A205 V206 F227 A231S167-M171 WeakPolarHBondContact O-CB 3.44Å; S167-M171 PolarHBondContact O-N 3.25Å; F169-M171 PolarHBondContact O-N 2.96Å; M171-C173 PolarHBondContact O-N 3.44Å; M171-L175 WeakPolarHBondContact O-CB 3.43Å; M171-L175 PolarHBondContact O-N 3.4Å; M171-L175 HydrophobicContact SD-CB 4.35Å; M171-A205 HydrophobicContact CB-CB 4.45Å; M171-A205 HydrophobicContact CE-CB 4.18Å; M171-A205 HydrophobicContact SD-CB 4.33Å; M171-V206 HydrophobicContact CE-CG2 4.14Å; M171-F227 HydrophobicContact CB-CD1 3.95Å; M171-F227 HydrophobicContact CE-CB 4.14Å; M171-F227 HydrophobicContact CE-CD1 3.66Å; M171-F227 HydrophobicContact CE-CE1 4.15Å; M171-F227 HydrophobicContact CE-CG 3.96Å; M171-F227 HydrophobicContact CG-CD1 4.46Å; M171-F227 WeakPolarHBondContact CG-O 3.41Å; M171-A231 HydrophobicContact CG-CB 4.03Å
172Y98.5Very high96.9Very high0 Ų013.6 Ų13.60%07%0.065CC..Hα-helixtrans-55.4-53.2176.4169.3-97.3000111.2F105 G108 A109 S168 F169 F176 G230 I233 A234 N237F105-Y172 HydrophobicContact CD2-CE1 4.19Å; F105-Y172 HydrophobicContact CE2-CE1 4.07Å; F105-Y172 PolarHBondContact O-OH 3.18Å; G108-Y172 VanDerWaalsContact C-OH 3.29Å; G108-Y172 WeakPolarHBondContact CA-OH 3.41Å; A109-Y172 VanDerWaalsContact CA-CE1 3.45Å; A109-Y172 HydrophobicContact CB-CD1 4.2Å; A109-Y172 HydrophobicContact CB-CE1 3.64Å; A109-Y172 VanDerWaalsContact N-CE1 3.31Å; A109-Y172 VanDerWaalsContact N-CZ 3.26Å; A109-Y172 PolarHBondContact N-OH 3.09Å; S168-Y172 VanDerWaalsContact O-CB 3.32Å; S168-Y172 WeakPolarHBondContact O-CB 3.28Å; S168-Y172 PolarHBondContact O-N 2.93Å; F169-Y172 PolarHBondContact O-N 3.34Å; Y172-F176 VanDerWaalsContact O-CB 3.22Å; Y172-F176 WeakPolarHBondContact O-CB 3.37Å; Y172-F176 PolarHBondContact O-N 3.47Å; Y172-G230 WeakPolarHBondContact CA-O 3.49Å; Y172-I233 HydrophobicContact CD2-CB 4.15Å; Y172-I233 HydrophobicContact CD2-CG2 3.89Å; Y172-I233 HydrophobicContact CE2-CG2 3.84Å; Y172-A234 HydrophobicContact CD2-CB 3.85Å; Y172-A234 HydrophobicContact CE2-CB 4.24Å; Y172-N237 PolarHBondContact OH-ND2 2.81Å
173C98Very high96.4Very high0 Ų011.4 Ų11.40%06%0.057CC..Hα-helixtrans-61.8-50.1-175.7-70.80000111.8T64 F105 F169 G170 M171 L177T64-C173 HydrophobicContact CG2-CB 3.93Å; F105-C173 HydrophobicContact CE2-CB 4.29Å; F105-C173 HydrophobicContact CZ-CB 4.2Å; F169-C173 VanDerWaalsContact CE2-SG 3.57Å; F169-C173 VanDerWaalsContact CZ-SG 3.54Å; F169-C173 WeakPolarHBondContact O-CB 3.45Å; F169-C173 PolarHBondContact O-N 2.93Å; F169-C173 PolarHBondContact O-SG 3.34Å; G170-C173 PolarHBondContact O-N 3.06Å; M171-C173 PolarHBondContact O-N 3.44Å; C173-L177 WeakPolarHBondContact O-CG 3.43Å; C173-L177 PolarHBondContact O-N 3.42Å; C173-L177 VanDerWaalsContact O-N 3.12Å
174M98.1Very high95.9Very high1 Ų112.4 Ų12.41%0.0056%0.06CC..Hα-helixtrans-71.8-38.4-175.8-66.5-60.5126.700112.7T64 C67 G170 L177 A178 L201 F204 A205T64-M174 HydrophobicContact CG2-CE 3.46Å; T64-M174 VanDerWaalsContact CG2-CE 3.46Å; C67-M174 HydrophobicContact CB-CE 4.45Å; G170-M174 WeakPolarHBondContact O-CB 3.43Å; G170-M174 VanDerWaalsContact O-CG 3.31Å; G170-M174 WeakPolarHBondContact O-CG 3.4Å; G170-M174 PolarHBondContact O-N 3.34Å; M174-L177 HydrophobicContact CE-CD1 4.36Å; M174-L177 PolarHBondContact O-N 3.02Å; M174-A178 WeakPolarHBondContact O-CB 3.43Å; M174-A178 PolarHBondContact O-N 2.85Å; M174-L201 HydrophobicContact CB-CB 4.26Å; M174-L201 WeakPolarHBondContact CB-O 3.23Å; M174-L201 VanDerWaalsContact CG-O 3.27Å; M174-L201 WeakPolarHBondContact CG-O 3.21Å; M174-L201 HydrophobicContact SD-CB 4.24Å; M174-L201 HydrophobicContact SD-CD2 3.59Å; M174-L201 VanDerWaalsContact SD-CD2 3.59Å; M174-F204 HydrophobicContact CE-CD1 4.18Å; M174-F204 HydrophobicContact CE-CE1 4.37Å; M174-F204 HydrophobicContact CG-CD1 4.01Å; M174-F204 HydrophobicContact SD-CD1 3.94Å; M174-A205 HydrophobicContact CB-CB 3.92Å; M174-A205 HydrophobicContact CG-CB 3.98Å
175L98.4Very high95.2Very high32 Ų3214.7 Ų14.717%0.1687%0.072CC..Hα-helixtrans-69.6-39.3177.3-172.961.5000111.3M171 L177 A178 L179 V202 A231 A234 I235M171-L175 WeakPolarHBondContact O-CB 3.43Å; M171-L175 PolarHBondContact O-N 3.4Å; M171-L175 HydrophobicContact SD-CB 4.35Å; L175-L177 VanDerWaalsContact C-N 3.31Å; L175-L177 PolarHBondContact O-N 3.43Å; L175-A178 PolarHBondContact O-N 3.14Å; L175-L179 HydrophobicContact CD1-CG 4.49Å; L175-L179 HydrophobicContact CG-CD1 4.28Å; L175-L179 HydrophobicContact CG-CG 4.45Å; L175-L179 WeakPolarHBondContact O-CB 3.01Å; L175-L179 VanDerWaalsContact O-CG 3.3Å; L175-L179 WeakPolarHBondContact O-CG 3.38Å; L175-L179 PolarHBondContact O-N 3.36Å; L175-V202 HydrophobicContact CD1-CG2 4.26Å; L175-A231 HydrophobicContact CD2-CB 3.68Å; L175-A234 HydrophobicContact CB-CB 4.11Å; L175-A234 HydrophobicContact CD2-CB 4.13Å; L175-A234 HydrophobicContact CG-CB 4.22Å; L175-I235 HydrophobicContact CD2-CD1 4.48Å; L175-I235 HydrophobicContact CD2-CG1 4.25Å
176F97.6Very high94.1Very high0 Ų022 Ų220%010%0.1CC..Hα-helixtrans-57.2-46.5172.9-176.1-78.9000111V101 F105 Y172 L179 Y180 A234 V238 F244V101-F176 HydrophobicContact CG1-CE1 4.4Å; F105-F176 HydrophobicContact CB-CD1 4.45Å; F105-F176 HydrophobicContact CB-CE1 3.85Å; F105-F176 HydrophobicContact CB-CE2 4.41Å; F105-F176 HydrophobicContact CB-CZ 3.81Å; F105-F176 HydrophobicContact CD2-CB 4.3Å; F105-F176 AromaticContact CD2-CD1 3.51Å; F105-F176 HydrophobicContact CD2-CD1 3.51Å; F105-F176 HydrophobicContact CD2-CD2 4.35Å; F105-F176 AromaticContact CD2-CE1 3.79Å; F105-F176 HydrophobicContact CD2-CE1 3.79Å; F105-F176 AromaticContact CD2-CG 3.81Å; F105-F176 HydrophobicContact CD2-CG 3.81Å; F105-F176 HydrophobicContact CD2-CZ 4.3Å; F105-F176 HydrophobicContact CE2-CB 4.46Å; F105-F176 HydrophobicContact CE2-CD1 4.25Å; F105-F176 HydrophobicContact CE2-CG 4.44Å; F105-F176 HydrophobicContact CG-CD1 4.44Å; F105-F176 HydrophobicContact CG-CE1 4.3Å; Y172-F176 VanDerWaalsContact O-CB 3.22Å; Y172-F176 WeakPolarHBondContact O-CB 3.37Å; Y172-F176 PolarHBondContact O-N 3.47Å; F176-L179 PolarHBondContact O-N 3.32Å; F176-Y180 WeakPolarHBondContact O-CB 3.34Å; F176-Y180 PolarHBondContact O-N 3.35Å; F176-A234 HydrophobicContact CB-CB 4.45Å; F176-V238 HydrophobicContact CD2-CG2 3.56Å; F176-V238 HydrophobicContact CE2-CG2 3.76Å; F176-V238 HydrophobicContact CG-CG2 4.22Å; F176-F244 AromaticContact CE1-CE2 3.76Å; F176-F244 HydrophobicContact CE1-CE2 3.76Å; F176-F244 AromaticContact CE1-CZ 3.94Å; F176-F244 HydrophobicContact CE1-CZ 3.94Å; F176-F244 HydrophobicContact CE2-CE2 4.14Å; F176-F244 HydrophobicContact CE2-CZ 4.46Å; F176-F244 AromaticContact CZ-CE2 3.5Å; F176-F244 HydrophobicContact CZ-CE2 3.5Å; F176-F244 AromaticContact CZ-CZ 3.55Å; F176-F244 HydrophobicContact CZ-CZ 3.55Å
177L96.9Very high92.9Very high0 Ų022.7 Ų22.70%011%0.106CC..Hα-helixtrans-64.4-40.2176.7-68.9174.3000112.1C67 T68 I71 I72 C173 M174 L175 L179 Y180 V181 L201C67-L177 HydrophobicContact CB-CD1 4.15Å; T68-L177 HydrophobicContact CG2-CD2 4.34Å; I71-L177 HydrophobicContact CB-CD2 4.43Å; I71-L177 HydrophobicContact CD1-CB 4.49Å; I71-L177 HydrophobicContact CD1-CD1 4.31Å; I71-L177 HydrophobicContact CG2-CD2 4.33Å; I72-L177 HydrophobicContact CD1-CD2 4.3Å; I72-L177 HydrophobicContact CG1-CD2 4.19Å; C173-L177 WeakPolarHBondContact O-CG 3.43Å; C173-L177 PolarHBondContact O-N 3.42Å; C173-L177 VanDerWaalsContact O-N 3.12Å; M174-L177 HydrophobicContact CE-CD1 4.36Å; M174-L177 PolarHBondContact O-N 3.02Å; L175-L177 VanDerWaalsContact C-N 3.31Å; L175-L177 PolarHBondContact O-N 3.43Å; L177-L179 VanDerWaalsContact C-N 3.32Å; L177-L179 PolarHBondContact O-N 2.87Å; L177-Y180 WeakPolarHBondContact O-CB 3.39Å; L177-Y180 PolarHBondContact O-N 3.03Å; L177-V181 VanDerWaalsContact O-CG2 3.32Å; L177-V181 WeakPolarHBondContact O-CG2 3.31Å; L177-V181 PolarHBondContact O-N 3.34Å; L177-L201 HydrophobicContact CB-CD1 3.94Å; L177-L201 HydrophobicContact CD1-CD2 4.44Å
178A96.9Very high91.4Very high5 Ų532.3 Ų32.34%0.04115%0.148CC..Hα-helixtrans-61.8-40.6175.800000112M174 L175 V181 Q182 Q198 L201 V202M174-A178 WeakPolarHBondContact O-CB 3.43Å; M174-A178 PolarHBondContact O-N 2.85Å; L175-A178 PolarHBondContact O-N 3.14Å; A178-V181 PolarHBondContact O-N 3Å; A178-Q182 WeakPolarHBondContact O-CB 3.39Å; A178-Q182 PolarHBondContact O-N 2.87Å; A178-Q198 HydrophobicContact CB-CB 4.15Å; A178-Q198 HydrophobicContact CB-CG 4.01Å; A178-Q198 PolarHBondContact O-NE2 3.17Å; A178-L201 HydrophobicContact CB-CD1 4.28Å; A178-V202 HydrophobicContact CB-CG2 4.3Å
179L95.3Very high90Very high40 Ų4042 Ų4221%0.20919%0.185CC..Hα-helixtrans-71-33.8174.7-67.8173.8000112.5L175 F176 L177 Q182 A183 I235 V238L175-L179 HydrophobicContact CD1-CG 4.49Å; L175-L179 HydrophobicContact CG-CD1 4.28Å; L175-L179 HydrophobicContact CG-CG 4.45Å; L175-L179 WeakPolarHBondContact O-CB 3.01Å; L175-L179 VanDerWaalsContact O-CG 3.3Å; L175-L179 WeakPolarHBondContact O-CG 3.38Å; L175-L179 PolarHBondContact O-N 3.36Å; F176-L179 PolarHBondContact O-N 3.32Å; L177-L179 VanDerWaalsContact C-N 3.32Å; L177-L179 PolarHBondContact O-N 2.87Å; L179-Q182 VanDerWaalsContact O-CB 3.25Å; L179-Q182 WeakPolarHBondContact O-CB 3.17Å; L179-Q182 PolarHBondContact O-N 3.41Å; L179-A183 PolarHBondContact O-N 3Å; L179-I235 HydrophobicContact CD1-CG1 4.41Å; L179-V238 HydrophobicContact CB-CG1 4.12Å; L179-V238 HydrophobicContact CB-CG2 4.17Å; L179-V238 HydrophobicContact CD1-CB 4.05Å; L179-V238 HydrophobicContact CD1-CG1 4.26Å; L179-V238 HydrophobicContact CD1-CG2 3.96Å
180Y93.5Very high88.9Confident2 Ų241.2 Ų41.21%0.00819%0.186CC..Hα-helixtrans-64.2-47.6171.8170.9-93.9000111.2I71 I72 E76 V101 F176 L177 Q182 A183 R184 F244I71-Y180 HydrophobicContact CG2-CD1 3.74Å; I71-Y180 HydrophobicContact CG2-CE1 3.87Å; I72-Y180 HydrophobicContact CG1-CD1 4.49Å; I72-Y180 HydrophobicContact CG1-CE1 4.28Å; I72-Y180 PolarHBondContact O-OH 3.03Å; E76-Y180 WeakPolarHBondContact CG-OH 3.26Å; E76-Y180 PolarHBondContact N-OH 2.98Å; E76-Y180 PolarHBondContact OE1-OH 3.25Å; V101-Y180 HydrophobicContact CG1-CD2 3.91Å; V101-Y180 HydrophobicContact CG1-CE2 3.88Å; V101-Y180 HydrophobicContact CG2-CE2 4.02Å; F176-Y180 WeakPolarHBondContact O-CB 3.34Å; F176-Y180 PolarHBondContact O-N 3.35Å; L177-Y180 WeakPolarHBondContact O-CB 3.39Å; L177-Y180 PolarHBondContact O-N 3.03Å; Y180-Q182 PolarHBondContact O-N 3.39Å; Y180-A183 PolarHBondContact O-N 3.19Å; Y180-R184 HydrophobicContact CD2-CG 4.06Å; Y180-R184 HydrophobicContact CE1-CG 4.22Å; Y180-R184 HydrophobicContact CE2-CG 3.6Å; Y180-R184 PolarHBondContact O-N 3.44Å; Y180-F244 HydrophobicContact CD2-CD2 4.33Å; Y180-F244 HydrophobicContact CD2-CE1 4.45Å; Y180-F244 HydrophobicContact CD2-CE2 4.01Å; Y180-F244 HydrophobicContact CD2-CZ 4.1Å
181V92.9Very high88.1Confident10 Ų1052 Ų526%0.06123%0.227CC..Hα-helixtrans-59-39.2173171.40000110.3I71 L177 A178 A183 L185 R194 I197 Q198I71-V181 HydrophobicContact CG2-CG2 3.72Å; L177-V181 VanDerWaalsContact O-CG2 3.32Å; L177-V181 WeakPolarHBondContact O-CG2 3.31Å; L177-V181 PolarHBondContact O-N 3.34Å; A178-V181 PolarHBondContact O-N 3Å; V181-A183 PolarHBondContact O-N 2.89Å; V181-L185 HydrophobicContact CG1-CB 4.23Å; V181-L185 HydrophobicContact CG1-CD2 4.23Å; V181-L185 WeakPolarHBondContact O-CB 3.29Å; V181-L185 PolarHBondContact O-N 2.75Å; V181-R194 HydrophobicContact CG1-CG 4.18Å; V181-I197 HydrophobicContact CG1-CG2 4.28Å; V181-I197 HydrophobicContact CG2-CG2 4.15Å; V181-Q198 HydrophobicContact CG1-CG 4.29Å
182Q91.9Very high87.6Confident62 Ų6257.1 Ų57.129%0.2925%0.254SS..Hα-helixtrans-55.7-51.8172-171.571.1-5.100110.2A178 L179 Y180 R184 R194 Q198 F245A178-Q182 WeakPolarHBondContact O-CB 3.39Å; A178-Q182 PolarHBondContact O-N 2.87Å; L179-Q182 VanDerWaalsContact O-CB 3.25Å; L179-Q182 WeakPolarHBondContact O-CB 3.17Å; L179-Q182 PolarHBondContact O-N 3.41Å; Y180-Q182 PolarHBondContact O-N 3.39Å; Q182-R184 PolarHBondContact O-N 3.36Å; Q182-R194 VanDerWaalsContact CG-NH2 3.3Å; Q182-R194 PolarHBondContact O-NE 3.31Å; Q182-R194 PolarHBondContact O-NH2 3.4Å; Q182-R194 VanDerWaalsContact OE1-NE 3.08Å; Q182-Q198 VanDerWaalsContact CB-NE2 3.32Å; Q182-F245 HydrophobicContact CB-CZ 4.27Å; Q182-F245 HydrophobicContact CG-CE1 4.2Å; Q182-F245 HydrophobicContact CG-CZ 4.1Å
183A87.1Confident87.2Confident4 Ų461.3 Ų61.33%0.03328%0.276CS..Hα-helixtrans-67.9-38.5-17500000113.6L179 Y180 V181 F244 F245L179-A183 PolarHBondContact O-N 3Å; Y180-A183 PolarHBondContact O-N 3.19Å; V181-A183 PolarHBondContact O-N 2.89Å; A183-F244 HydrophobicContact CB-CB 3.72Å; A183-F245 HydrophobicContact CB-CD1 4.25Å; A183-F245 HydrophobicContact CB-CE1 3.89Å; A183-F245 HydrophobicContact CB-CE2 4.3Å; A183-F245 HydrophobicContact CB-CZ 3.92Å
184R85.2Confident86.8Confident37 Ų3764.9 Ų64.914%0.1429%0.29CS..Hα-helixtrans-95.4-38.6-168.7-63.1-44.9-157-149.1-6.5115.1E76 L79 Y180 Q182 R186E76-R184 IonicContact OE1-CZ 3.61Å; E76-R184 IonicContact OE1-NE 3.13Å; E76-R184 PolarHBondContact OE1-NE 2.98Å; E76-R184 VanDerWaalsContact OE1-NE 3.13Å; E76-R184 IonicContact OE1-NH2 3.19Å; E76-R184 PolarHBondContact OE1-NH2 2.69Å; L79-R184 HydrophobicContact CD1-CB 4.14Å; L79-R184 HydrophobicContact CD1-CG 3.94Å; Y180-R184 HydrophobicContact CD2-CG 4.06Å; Y180-R184 HydrophobicContact CE1-CG 4.22Å; Y180-R184 HydrophobicContact CE2-CG 3.6Å; Y180-R184 PolarHBondContact O-N 3.44Å; Q182-R184 PolarHBondContact O-N 3.36Å; R184-R186 PolarHBondContact O-N 3.46Å
185L83.3Confident86.6Confident48 Ų4867.7 Ų67.725%0.25131%0.308SS..  trans-84.285-174.9-165.765.5000110.9V181 L193 R194 I197V181-L185 HydrophobicContact CG1-CB 4.23Å; V181-L185 HydrophobicContact CG1-CD2 4.23Å; V181-L185 WeakPolarHBondContact O-CB 3.29Å; V181-L185 PolarHBondContact O-N 2.75Å; L185-L193 HydrophobicContact CD2-CD2 4.39Å; L185-L193 HydrophobicContact CD2-CG 4.4Å; L185-R194 HydrophobicContact CD2-CB 3.99Å; L185-R194 HydrophobicContact CD2-CG 4.48Å; L185-R194 WeakPolarHBondContact O-CD 3.29Å; L185-I197 HydrophobicContact CD2-CD1 4.31Å
186R74.5Confident86.4Confident155 Ų15569.2 Ų69.259%0.58532%0.319SS*.  trans-100.334.3177.4-58.1-174.5-174.3-176.2-1.2113.2R184 K188R184-R186 PolarHBondContact O-N 3.46Å; R186-K188 PolarHBondContact O-N 3.01Å
187A71.2Confident86.3Confident21 Ų2172 Ų7217%0.17433%0.333CS..  trans-73.2114.8179.500000110.2W189A187-W189 VanDerWaalsContact C-N 3.31Å; A187-W189 HydrophobicContact CB-CD2 4.21Å; A187-W189 HydrophobicContact CB-CZ2 3.9Å
188K67.5Low86.3Confident203 Ų20373.6 Ų73.688%0.88334%0.341SS*.SBendtrans-72.4-25.4179.6-67.1-174.5178.8-177.80112.8R186R186-K188 PolarHBondContact O-N 3.01Å
189W69.3Low86.3Confident202 Ų20279.8 Ų79.877%0.76537%0.367SS*.SBendtrans-79.9-18.4-176.551.784.4000114.4A187A187-W189 VanDerWaalsContact C-N 3.31Å; A187-W189 HydrophobicContact CB-CD2 4.21Å; A187-W189 HydrophobicContact CB-CZ2 3.9Å
190A74.1Confident86.4Confident27 Ų2784.1 Ų84.122%0.22338%0.384CS..  trans-118.667.2-17700000111.1L192 L193A190-L192 PolarHBondContact O-N 3.34Å; A190-L192 VanDerWaalsContact O-N 3.16Å; A190-L193 HydrophobicContact CB-CB 3.75Å; A190-L193 HydrophobicContact CB-CD2 4.06Å; A190-L193 PolarHBondContact O-N 3.47Å
191R80.6Confident86.6Confident226 Ų22684.6 Ų84.685%0.85339%0.387SS*.THydrogen-bonded Turntrans-52.6-38.4-173.6-179.1176.9171.7172.4-2.5113.5
192L89.6Confident86.9Confident125 Ų12586.4 Ų86.465%0.65440%0.398SS*.THydrogen-bonded Turntrans-94.4-20.3-175.6-61.3-179.5000114.1A190 R194 P195 T196A190-L192 PolarHBondContact O-N 3.34Å; A190-L192 VanDerWaalsContact O-N 3.16Å; L192-R194 VanDerWaalsContact C-N 3.34Å; L192-R194 PolarHBondContact O-N 2.97Å; L192-P195 WeakPolarHBondContact O-CD 3.5Å; L192-P195 VanDerWaalsContact O-CG 3.27Å; L192-P195 WeakPolarHBondContact O-CG 3.46Å; L192-T196 WeakPolarHBondContact O-CB 3.37Å; L192-T196 PolarHBondContact O-N 2.93Å; L192-T196 PolarHBondContact O-OG1 3.14Å
193L88.7Confident87.2Confident87 Ų8785.1 Ų85.146%0.45540%0.398SS..Hα-helixtrans-58.4-45.6-174.4178.463.2000112.5L185 A190 T196 I197L185-L193 HydrophobicContact CD2-CD2 4.39Å; L185-L193 HydrophobicContact CD2-CG 4.4Å; A190-L193 HydrophobicContact CB-CB 3.75Å; A190-L193 HydrophobicContact CB-CD2 4.06Å; A190-L193 PolarHBondContact O-N 3.47Å; L193-T196 PolarHBondContact O-N 3.35Å; L193-I197 HydrophobicContact CD1-CD1 3.98Å; L193-I197 HydrophobicContact CD1-CG1 4.35Å; L193-I197 HydrophobicContact CG-CD1 4.02Å; L193-I197 WeakPolarHBondContact O-CG1 3.32Å; L193-I197 PolarHBondContact O-N 2.75Å
194R90.5Very high87.7Confident75 Ų7587.3 Ų87.328%0.28341%0.406SS..Hα-helixtrans-61.4-56.7-179.6-179.4-171.9-174.7-143.810.4112.8V181 Q182 L185 L192 T196 I197 Q198V181-R194 HydrophobicContact CG1-CG 4.18Å; Q182-R194 VanDerWaalsContact CG-NH2 3.3Å; Q182-R194 PolarHBondContact O-NE 3.31Å; Q182-R194 PolarHBondContact O-NH2 3.4Å; Q182-R194 VanDerWaalsContact OE1-NE 3.08Å; L185-R194 HydrophobicContact CD2-CB 3.99Å; L185-R194 HydrophobicContact CD2-CG 4.48Å; L185-R194 WeakPolarHBondContact O-CD 3.29Å; L192-R194 VanDerWaalsContact C-N 3.34Å; L192-R194 PolarHBondContact O-N 2.97Å; R194-T196 VanDerWaalsContact C-N 3.26Å; R194-T196 PolarHBondContact O-N 2.91Å; R194-I197 PolarHBondContact O-N 3.34Å; R194-Q198 VanDerWaalsContact O-CG 3.3Å; R194-Q198 WeakPolarHBondContact O-CG 3.28Å; R194-Q198 PolarHBondContact O-N 2.89Å; R194-Q198 VanDerWaalsContact O-N 3.14Å; R194-Q198 PolarHBondContact O-OE1 3.22Å
195P93.5Very high88.3Confident60 Ų6085.5 Ų85.539%0.3940%0.4SS..Hα-helixtrans-63.7-30.6177.323.8-33.2000112.8L192 Q198 F199L192-P195 WeakPolarHBondContact O-CD 3.5Å; L192-P195 VanDerWaalsContact O-CG 3.27Å; L192-P195 WeakPolarHBondContact O-CG 3.46Å; P195-Q198 PolarHBondContact O-N 3.44Å; P195-F199 VanDerWaalsContact O-CB 3.29Å; P195-F199 WeakPolarHBondContact O-CB 3.42Å; P195-F199 PolarHBondContact O-N 2.97Å
196T95Very high89.1Confident65 Ų6585 Ų8540%0.39940%0.398SS..Hα-helixtrans-64.2-47.1175.1-61.50000112.2L192 L193 R194 Q198 F199 F200L192-T196 WeakPolarHBondContact O-CB 3.37Å; L192-T196 PolarHBondContact O-N 2.93Å; L192-T196 PolarHBondContact O-OG1 3.14Å; L193-T196 PolarHBondContact O-N 3.35Å; R194-T196 VanDerWaalsContact C-N 3.26Å; R194-T196 PolarHBondContact O-N 2.91Å; T196-Q198 VanDerWaalsContact C-N 3.31Å; T196-Q198 PolarHBondContact O-N 3.43Å; T196-F199 PolarHBondContact O-N 2.7Å; T196-F200 HydrophobicContact CG2-CD2 3.81Å; T196-F200 HydrophobicContact CG2-CE2 3.6Å; T196-F200 VanDerWaalsContact O-CD2 3.22Å; T196-F200 WeakPolarHBondContact O-CD2 3.41Å; T196-F200 PolarHBondContact O-N 3.03Å; T196-F200 VanDerWaalsContact O-N 3.1Å
197I94.9Very high90.2Very high58 Ų5883.2 Ų83.230%0.29739%0.392SS..Hα-helixtrans-59.6-45.5176-67.7166.2000110.3V181 L185 L193 R194 F199 F200 L201V181-I197 HydrophobicContact CG1-CG2 4.28Å; V181-I197 HydrophobicContact CG2-CG2 4.15Å; L185-I197 HydrophobicContact CD2-CD1 4.31Å; L193-I197 HydrophobicContact CD1-CD1 3.98Å; L193-I197 HydrophobicContact CD1-CG1 4.35Å; L193-I197 HydrophobicContact CG-CD1 4.02Å; L193-I197 WeakPolarHBondContact O-CG1 3.32Å; L193-I197 PolarHBondContact O-N 2.75Å; R194-I197 PolarHBondContact O-N 3.34Å; I197-F199 PolarHBondContact O-N 2.97Å; I197-F200 PolarHBondContact O-N 3.3Å; I197-L201 HydrophobicContact CG2-CD1 3.94Å; I197-L201 HydrophobicContact CG2-CG 4.41Å; I197-L201 VanDerWaalsContact O-CG 3.3Å; I197-L201 WeakPolarHBondContact O-CG 3.45Å; I197-L201 PolarHBondContact O-N 3.06Å
198Q96.5Very high91.5Very high34 Ų3482.2 Ų82.216%0.15938%0.384CS..Hα-helixtrans-62.3-42.8179.5-68.6170-36.100112.3A178 V181 Q182 R194 P195 T196 L201 V202A178-Q198 HydrophobicContact CB-CB 4.15Å; A178-Q198 HydrophobicContact CB-CG 4.01Å; A178-Q198 PolarHBondContact O-NE2 3.17Å; V181-Q198 HydrophobicContact CG1-CG 4.29Å; Q182-Q198 VanDerWaalsContact CB-NE2 3.32Å; R194-Q198 VanDerWaalsContact O-CG 3.3Å; R194-Q198 WeakPolarHBondContact O-CG 3.28Å; R194-Q198 PolarHBondContact O-N 2.89Å; R194-Q198 VanDerWaalsContact O-N 3.14Å; R194-Q198 PolarHBondContact O-OE1 3.22Å; P195-Q198 PolarHBondContact O-N 3.44Å; T196-Q198 VanDerWaalsContact C-N 3.31Å; T196-Q198 PolarHBondContact O-N 3.43Å; Q198-L201 PolarHBondContact O-N 3.29Å; Q198-V202 WeakPolarHBondContact O-CG2 3.35Å; Q198-V202 PolarHBondContact O-N 2.78Å
199F97.3Very high93Very high134 Ų13472.5 Ų72.559%0.58834%0.342SS*.Hα-helixtrans-57.5-50.9176.2172.4-97.9000111P195 T196 I197 L201 V202 A203P195-F199 VanDerWaalsContact O-CB 3.29Å; P195-F199 WeakPolarHBondContact O-CB 3.42Å; P195-F199 PolarHBondContact O-N 2.97Å; T196-F199 PolarHBondContact O-N 2.7Å; I197-F199 PolarHBondContact O-N 2.97Å; F199-L201 PolarHBondContact O-N 3.16Å; F199-V202 PolarHBondContact O-N 3.13Å; F199-A203 HydrophobicContact CE1-CB 4.4Å; F199-A203 HydrophobicContact CZ-CB 4.44Å; F199-A203 WeakPolarHBondContact O-CB 3.14Å; F199-A203 PolarHBondContact O-N 3.2Å
200F97.9Very high94.4Very high131 Ų13170 Ų7058%0.57533%0.334SS*.Hα-helixtrans-66.6-35.7-178.7-76.9-66.4000113.4T196 I197 F204T196-F200 HydrophobicContact CG2-CD2 3.81Å; T196-F200 HydrophobicContact CG2-CE2 3.6Å; T196-F200 VanDerWaalsContact O-CD2 3.22Å; T196-F200 WeakPolarHBondContact O-CD2 3.41Å; T196-F200 PolarHBondContact O-N 3.03Å; T196-F200 VanDerWaalsContact O-N 3.1Å; I197-F200 PolarHBondContact O-N 3.3Å; F200-F204 WeakPolarHBondContact O-CB 3.46Å; F200-F204 PolarHBondContact O-N 3.32Å
201L98.1Very high95.5Very high13 Ų1369 Ų697%0.06832%0.324CS..Hα-helixtrans-60.3-52.4173.4-70.1169.9000110.9I71 M174 L177 A178 I197 Q198 F199 F204 A205I71-L201 HydrophobicContact CD1-CD1 4.09Å; I71-L201 HydrophobicContact CD1-CD2 3.91Å; M174-L201 HydrophobicContact CB-CB 4.26Å; M174-L201 WeakPolarHBondContact CB-O 3.23Å; M174-L201 VanDerWaalsContact CG-O 3.27Å; M174-L201 WeakPolarHBondContact CG-O 3.21Å; M174-L201 HydrophobicContact SD-CB 4.24Å; M174-L201 HydrophobicContact SD-CD2 3.59Å; M174-L201 VanDerWaalsContact SD-CD2 3.59Å; L177-L201 HydrophobicContact CB-CD1 3.94Å; L177-L201 HydrophobicContact CD1-CD2 4.44Å; A178-L201 HydrophobicContact CB-CD1 4.28Å; I197-L201 HydrophobicContact CG2-CD1 3.94Å; I197-L201 HydrophobicContact CG2-CG 4.41Å; I197-L201 VanDerWaalsContact O-CG 3.3Å; I197-L201 WeakPolarHBondContact O-CG 3.45Å; I197-L201 PolarHBondContact O-N 3.06Å; Q198-L201 PolarHBondContact O-N 3.29Å; F199-L201 PolarHBondContact O-N 3.16Å; L201-F204 PolarHBondContact O-N 3.42Å; L201-A205 PolarHBondContact O-N 2.95Å
202V98.1Very high96.3Very high47 Ų4758.2 Ų58.229%0.28528%0.284SS..Hα-helixtrans-67.9-39.3-179.4177.20000111.3L175 A178 Q198 F199 F204 A205 V206L175-V202 HydrophobicContact CD1-CG2 4.26Å; A178-V202 HydrophobicContact CB-CG2 4.3Å; Q198-V202 WeakPolarHBondContact O-CG2 3.35Å; Q198-V202 PolarHBondContact O-N 2.78Å; F199-V202 PolarHBondContact O-N 3.13Å; V202-F204 VanDerWaalsContact C-N 3.29Å; V202-F204 PolarHBondContact O-N 3.08Å; V202-A205 WeakPolarHBondContact O-CB 3.07Å; V202-A205 PolarHBondContact O-N 3.28Å; V202-A205 VanDerWaalsContact O-N 3.14Å; V202-V206 HydrophobicContact CG1-CG2 4.4Å; V202-V206 WeakPolarHBondContact O-CG2 3.37Å; V202-V206 PolarHBondContact O-N 3.16Å
203A98.4Very high96.7Very high35 Ų3554.9 Ų54.929%0.28927%0.269SS..Hα-helixtrans-60.1-39.2176.100000111.8F199 V206 Y207F199-A203 HydrophobicContact CE1-CB 4.4Å; F199-A203 HydrophobicContact CZ-CB 4.44Å; F199-A203 WeakPolarHBondContact O-CB 3.14Å; F199-A203 PolarHBondContact O-N 3.2Å; A203-V206 PolarHBondContact O-N 2.84Å; A203-Y207 WeakPolarHBondContact O-CB 3.22Å; A203-Y207 PolarHBondContact O-N 3.34Å
204F98.3Very high97.2Very high50 Ų5053.6 Ų53.622%0.21927%0.267CS..Hα-helixtrans-61.9-45.2173.4177-105.1000111.9L60 V63 M174 F200 L201 V202 V206 Y207 V208L60-F204 HydrophobicContact CD1-CE1 4.09Å; L60-F204 HydrophobicContact CD1-CZ 4.43Å; V63-F204 HydrophobicContact CB-CE1 4.33Å; V63-F204 HydrophobicContact CB-CZ 3.99Å; V63-F204 HydrophobicContact CG1-CD1 4.43Å; V63-F204 HydrophobicContact CG1-CE1 3.71Å; V63-F204 HydrophobicContact CG1-CE2 4.18Å; V63-F204 HydrophobicContact CG1-CZ 3.57Å; V63-F204 HydrophobicContact CG2-CZ 4.37Å; M174-F204 HydrophobicContact CE-CD1 4.18Å; M174-F204 HydrophobicContact CE-CE1 4.37Å; M174-F204 HydrophobicContact CG-CD1 4.01Å; M174-F204 HydrophobicContact SD-CD1 3.94Å; F200-F204 WeakPolarHBondContact O-CB 3.46Å; F200-F204 PolarHBondContact O-N 3.32Å; L201-F204 PolarHBondContact O-N 3.42Å; V202-F204 VanDerWaalsContact C-N 3.29Å; V202-F204 PolarHBondContact O-N 3.08Å; F204-V206 VanDerWaalsContact C-N 3.33Å; F204-V206 PolarHBondContact O-N 3.38Å; F204-Y207 PolarHBondContact O-N 3.14Å; F204-V208 HydrophobicContact CD1-CG2 4.39Å; F204-V208 HydrophobicContact CE1-CG2 3.96Å; F204-V208 HydrophobicContact CE2-CG2 4.14Å; F204-V208 HydrophobicContact CZ-CG2 3.81Å; F204-V208 VanDerWaalsContact O-CG2 3.32Å; F204-V208 WeakPolarHBondContact O-CG2 3.23Å; F204-V208 PolarHBondContact O-N 3.24Å
205A98.2Very high97.5Very high0 Ų050.4 Ų50.40%026%0.255CS..Hα-helixtrans-60.5-42.4175.700000112.5M171 M174 L201 V202 V208 G209 F227M171-A205 HydrophobicContact CB-CB 4.45Å; M171-A205 HydrophobicContact CE-CB 4.18Å; M171-A205 HydrophobicContact SD-CB 4.33Å; M174-A205 HydrophobicContact CB-CB 3.92Å; M174-A205 HydrophobicContact CG-CB 3.98Å; L201-A205 PolarHBondContact O-N 2.95Å; V202-A205 WeakPolarHBondContact O-CB 3.07Å; V202-A205 PolarHBondContact O-N 3.28Å; V202-A205 VanDerWaalsContact O-N 3.14Å; A205-V208 PolarHBondContact O-N 3.42Å; A205-G209 PolarHBondContact O-N 2.77Å; A205-F227 VanDerWaalsContact O-CE1 3.28Å; A205-F227 WeakPolarHBondContact O-CE1 3.22Å
206V98.4Very high97.7Very high36 Ų3650.5 Ų50.522%0.21825%0.248CC..Hα-helixtrans-62.9-45.8176.3172.40000110.9M171 V202 A203 F204 V208 G209 Y210M171-V206 HydrophobicContact CE-CG2 4.14Å; V202-V206 HydrophobicContact CG1-CG2 4.4Å; V202-V206 WeakPolarHBondContact O-CG2 3.37Å; V202-V206 PolarHBondContact O-N 3.16Å; A203-V206 PolarHBondContact O-N 2.84Å; F204-V206 VanDerWaalsContact C-N 3.33Å; F204-V206 PolarHBondContact O-N 3.38Å; V206-V208 VanDerWaalsContact C-N 3.33Å; V206-V208 PolarHBondContact O-N 2.94Å; V206-G209 PolarHBondContact O-N 3.1Å; V206-G209 VanDerWaalsContact O-N 3.08Å; V206-Y210 HydrophobicContact CG1-CD1 4.28Å; V206-Y210 HydrophobicContact CG1-CD2 4.13Å; V206-Y210 HydrophobicContact CG1-CE1 3.69Å; V206-Y210 HydrophobicContact CG1-CE2 3.52Å; V206-Y210 HydrophobicContact CG1-CG 4.48Å; V206-Y210 WeakPolarHBondContact CG1-OH 3.39Å; V206-Y210 PolarHBondContact O-N 2.94Å
207Y98.5Very high97.8Very high118 Ų11848.1 Ų48.146%0.46323%0.233SC..Hα-helixtrans-57.3-45176.1175.5-110.1000112I55 A203 F204 G209 Y210 T211I55-Y207 HydrophobicContact CD1-CE1 4.21Å; I55-Y207 HydrophobicContact CG1-CE1 4.47Å; A203-Y207 WeakPolarHBondContact O-CB 3.22Å; A203-Y207 PolarHBondContact O-N 3.34Å; F204-Y207 PolarHBondContact O-N 3.14Å; Y207-G209 VanDerWaalsContact C-N 3.29Å; Y207-G209 PolarHBondContact O-N 3.08Å; Y207-Y210 WeakPolarHBondContact O-CB 3.38Å; Y207-Y210 PolarHBondContact O-N 2.94Å; Y207-Y210 VanDerWaalsContact O-N 3.12Å; Y207-T211 HydrophobicContact CD2-CG2 4.5Å; Y207-T211 HydrophobicContact CE1-CG2 4.11Å; Y207-T211 HydrophobicContact CE2-CG2 4.06Å; Y207-T211 WeakPolarHBondContact O-CG2 3.12Å; Y207-T211 PolarHBondContact O-N 2.95Å
208V98.4Very high97.9Very high0 Ų045.6 Ų45.60%022%0.22CC..Hα-helixtrans-55.3-44.8174.7170.20000111.1I55 L60 H166 F204 A205 V206 T211 R212I55-V208 HydrophobicContact CG1-CG2 4.46Å; I55-V208 HydrophobicContact CG2-CG2 4.37Å; L60-V208 HydrophobicContact CD1-CG1 4.21Å; L60-V208 HydrophobicContact CD1-CG2 3.99Å; L60-V208 HydrophobicContact CD2-CG1 4.22Å; H166-V208 HydrophobicContact CB-CG1 3.84Å; F204-V208 HydrophobicContact CD1-CG2 4.39Å; F204-V208 HydrophobicContact CE1-CG2 3.96Å; F204-V208 HydrophobicContact CE2-CG2 4.14Å; F204-V208 HydrophobicContact CZ-CG2 3.81Å; F204-V208 VanDerWaalsContact O-CG2 3.32Å; F204-V208 WeakPolarHBondContact O-CG2 3.23Å; F204-V208 PolarHBondContact O-N 3.24Å; A205-V208 PolarHBondContact O-N 3.42Å; V206-V208 VanDerWaalsContact C-N 3.33Å; V206-V208 PolarHBondContact O-N 2.94Å; V208-T211 PolarHBondContact O-N 3.38Å; V208-T211 PolarHBondContact O-OG1 2.95Å; V208-R212 PolarHBondContact O-N 3.49Å
209G98.2Very high98Very high0 Ų045 Ų450%022%0.216CC..Hα-helixtrans-68.7-36.5176.700000113.9S167 A205 V206 Y207 T211 R212 V213S167-G209 WeakPolarHBondContact OG-CA 3.3Å; A205-G209 PolarHBondContact O-N 2.77Å; V206-G209 PolarHBondContact O-N 3.1Å; V206-G209 VanDerWaalsContact O-N 3.08Å; Y207-G209 VanDerWaalsContact C-N 3.29Å; Y207-G209 PolarHBondContact O-N 3.08Å; G209-T211 VanDerWaalsContact C-N 3.28Å; G209-T211 PolarHBondContact O-N 3.35Å; G209-R212 WeakPolarHBondContact O-CB 3.29Å; G209-R212 PolarHBondContact O-N 3.42Å; G209-V213 PolarHBondContact O-N 3.19Å
210Y98.5Very high98Very high150 Ų15047.2 Ų47.259%0.58822%0.221SC*.Hα-helixtrans-59.2-41.6173.8-67.5-14.4000111.8V206 Y207 R212 V213 S214V206-Y210 HydrophobicContact CG1-CD1 4.28Å; V206-Y210 HydrophobicContact CG1-CD2 4.13Å; V206-Y210 HydrophobicContact CG1-CE1 3.69Å; V206-Y210 HydrophobicContact CG1-CE2 3.52Å; V206-Y210 HydrophobicContact CG1-CG 4.48Å; V206-Y210 WeakPolarHBondContact CG1-OH 3.39Å; V206-Y210 PolarHBondContact O-N 2.94Å; Y207-Y210 WeakPolarHBondContact O-CB 3.38Å; Y207-Y210 PolarHBondContact O-N 2.94Å; Y207-Y210 VanDerWaalsContact O-N 3.12Å; Y210-R212 PolarHBondContact O-N 3.19Å; Y210-V213 PolarHBondContact O-N 3.28Å; Y210-V213 VanDerWaalsContact O-N 3.07Å; Y210-S214 PolarHBondContact O-N 3.4Å; Y210-S214 PolarHBondContact O-OG 3.43Å
211T98.2Very high98Very high4 Ų442.5 Ų42.53%0.02520%0.204CC..Hα-helixtrans-60.6-32.2176.666.90000112.3T54 I55 Y207 V208 G209 V213 S214 D215T54-T211 HydrophobicContact CG2-CG2 3.73Å; I55-T211 HydrophobicContact CG1-CG2 4.16Å; Y207-T211 HydrophobicContact CD2-CG2 4.5Å; Y207-T211 HydrophobicContact CE1-CG2 4.11Å; Y207-T211 HydrophobicContact CE2-CG2 4.06Å; Y207-T211 WeakPolarHBondContact O-CG2 3.12Å; Y207-T211 PolarHBondContact O-N 2.95Å; V208-T211 PolarHBondContact O-N 3.38Å; V208-T211 PolarHBondContact O-OG1 2.95Å; G209-T211 VanDerWaalsContact C-N 3.28Å; G209-T211 PolarHBondContact O-N 3.35Å; T211-V213 VanDerWaalsContact C-N 3.29Å; T211-V213 PolarHBondContact O-N 3.47Å; T211-S214 VanDerWaalsContact CA-OG 3.32Å; T211-S214 WeakPolarHBondContact CA-OG 3.12Å; T211-S214 PolarHBondContact O-N 2.9Å; T211-S214 PolarHBondContact O-OG 3.33Å; T211-D215 WeakPolarHBondContact O-CB 3.48Å; T211-D215 PolarHBondContact O-N 3.4Å; T211-D215 VanDerWaalsContact O-OD2 3.1Å
212R98.1Very high98Very high0 Ų041.9 Ų41.90%020%0.201CC..Hα-helixtrans-65.9-31.1177-62.4-55.282.3149.5-8.3113.8D53 I55 H166 V208 G209 Y210 D215 K217 H218 V223D53-R212 IonicContact OD1-CZ 3.79Å; D53-R212 IonicContact OD1-NH1 3.56Å; D53-R212 PolarHBondContact OD1-NH1 3.08Å; D53-R212 IonicContact OD1-NH2 3.62Å; I55-R212 PolarHBondContact O-NH1 3.4Å; I55-R212 PolarHBondContact O-NH2 2.85Å; H166-R212 HydrophobicContact CB-CG 3.9Å; H166-R212 PolarHBondContact CD2-NH1 2.86Å; H166-R212 PolarHBondContact CE1-NH1 3.04Å; H166-R212 PolarHBondContact ND1-NH1 3.12Å; H166-R212 PolarHBondContact NE2-NH1 3.08Å; V208-R212 PolarHBondContact O-N 3.49Å; G209-R212 WeakPolarHBondContact O-CB 3.29Å; G209-R212 PolarHBondContact O-N 3.42Å; Y210-R212 PolarHBondContact O-N 3.19Å; R212-D215 IonicContact CZ-OD2 3.22Å; R212-D215 IonicContact NH2-OD2 2.7Å; R212-D215 PolarHBondContact NH2-OD2 3.43Å; R212-K217 PolarHBondContact O-N 2.99Å; R212-H218 HydrophobicContact CB-CB 4.2Å; R212-H218 PolarHBondContact O-N 2.88Å; R212-H218 VanDerWaalsContact O-N 3.14Å; R212-V223 HydrophobicContact CB-CG2 3.86Å
213V98.1Very high98.1Very high56 Ų5640 Ų4034%0.33919%0.189SC..Hα-helixtrans-77.8-48.1174.9-174.10000109.9G209 Y210 T211 D215 Y216 W220 V223G209-V213 PolarHBondContact O-N 3.19Å; Y210-V213 PolarHBondContact O-N 3.28Å; Y210-V213 VanDerWaalsContact O-N 3.07Å; T211-V213 VanDerWaalsContact C-N 3.29Å; T211-V213 PolarHBondContact O-N 3.47Å; V213-D215 VanDerWaalsContact C-N 3.29Å; V213-D215 PolarHBondContact O-N 2.95Å; V213-Y216 PolarHBondContact O-N 2.9Å; V213-Y216 VanDerWaalsContact O-N 3.1Å; V213-W220 HydrophobicContact CG2-CB 4.46Å; V213-V223 HydrophobicContact CG2-CB 4.26Å; V213-V223 HydrophobicContact CG2-CG2 3.78Å
214S97.3Very high98.1Very high60 Ų6042.2 Ų42.242%0.4220%0.196SC..Hα-helixtrans-66.6-28.7-178.963.30000113.9Y210 T211 Y216Y210-S214 PolarHBondContact O-N 3.4Å; Y210-S214 PolarHBondContact O-OG 3.43Å; T211-S214 VanDerWaalsContact CA-OG 3.32Å; T211-S214 WeakPolarHBondContact CA-OG 3.12Å; T211-S214 PolarHBondContact O-N 2.9Å; T211-S214 PolarHBondContact O-OG 3.33Å; S214-Y216 VanDerWaalsContact C-N 3.29Å
215D97.6Very high98.1Very high8 Ų842.1 Ų42.14%0.04320%0.199CC..THydrogen-bonded Turntrans-862.6176.7-58.4-14.1000112.6T54 T211 R212 V213 K217T54-D215 WeakPolarHBondContact CB-OD2 3.38Å; T54-D215 PolarHBondContact N-OD2 3.02Å; T54-D215 PolarHBondContact OG1-OD1 3.17Å; T54-D215 PolarHBondContact OG1-OD2 3.08Å; T211-D215 WeakPolarHBondContact O-CB 3.48Å; T211-D215 PolarHBondContact O-N 3.4Å; T211-D215 VanDerWaalsContact O-OD2 3.1Å; R212-D215 IonicContact CZ-OD2 3.22Å; R212-D215 IonicContact NH2-OD2 2.7Å; R212-D215 PolarHBondContact NH2-OD2 3.43Å; V213-D215 VanDerWaalsContact C-N 3.29Å; V213-D215 PolarHBondContact O-N 2.95Å; D215-K217 HydrophobicContact CB-CG 3.8Å; D215-K217 PolarHBondContact O-N 3.08Å
216Y97.3Very high98.1Very high62 Ų6242.1 Ų42.124%0.24320%0.199CC..THydrogen-bonded Turntrans56.431.6-179.1-51.1-47.6000114.3Y48 P49 K51 N129 V213 S214Y48-Y216 AromaticContact CD1-CD1 3.37Å; Y48-Y216 HydrophobicContact CD1-CD1 3.37Å; Y48-Y216 HydrophobicContact CD1-CD2 4.04Å; Y48-Y216 AromaticContact CD1-CE1 3.27Å; Y48-Y216 HydrophobicContact CD1-CE1 3.27Å; Y48-Y216 AromaticContact CD1-CE2 3.93Å; Y48-Y216 HydrophobicContact CD1-CE2 3.93Å; Y48-Y216 AromaticContact CD1-CG 3.78Å; Y48-Y216 HydrophobicContact CD1-CG 3.78Å; Y48-Y216 AromaticContact CD1-CZ 3.57Å; Y48-Y216 AromaticContact CE1-CD1 3.95Å; Y48-Y216 HydrophobicContact CE1-CD1 3.95Å; Y48-Y216 AromaticContact CE1-CE1 3.58Å; Y48-Y216 HydrophobicContact CE1-CE1 3.58Å; Y48-Y216 AromaticContact CG-CD1 3.91Å; Y48-Y216 HydrophobicContact CG-CD1 3.91Å; Y48-Y216 HydrophobicContact CG-CD2 4.42Å; Y48-Y216 HydrophobicContact CG-CE1 4.26Å; Y48-Y216 HydrophobicContact CG-CG 4.02Å; P49-Y216 HydrophobicContact CG-CD2 4.17Å; P49-Y216 HydrophobicContact CG-CE2 3.96Å; K51-Y216 HydrophobicContact CD-CD2 3.77Å; K51-Y216 HydrophobicContact CD-CE2 3.74Å; K51-Y216 VanDerWaalsContact CE-CE2 3.46Å; K51-Y216 HydrophobicContact CG-CD2 4.15Å; K51-Y216 HydrophobicContact CG-CE2 4.43Å; N129-Y216 PolarHBondContact N-O 2.87Å; V213-Y216 PolarHBondContact O-N 2.9Å; V213-Y216 VanDerWaalsContact O-N 3.1Å; S214-Y216 VanDerWaalsContact C-N 3.29Å
217K96.8Very high98.1Very high15 Ų1541.7 Ų41.77%0.06520%0.195CC..SBendtrans-88.8-29.3178.7-56-67.8171.4155.10111.8K51 D53 R127 R212 D215K51-K217 WeakPolarHBondContact O-CE 3.15Å; K51-K217 PolarHBondContact O-NZ 3.1Å; D53-K217 WeakPolarHBondContact OD1-CD 3.47Å; D53-K217 WeakPolarHBondContact OD1-CE 3.36Å; D53-K217 WeakPolarHBondContact OD1-CG 3.2Å; D53-K217 IonicContact OD1-NZ 3.43Å; D53-K217 PolarHBondContact OD1-NZ 2.76Å; D53-K217 IonicContact OD2-NZ 2.85Å; D53-K217 PolarHBondContact OD2-NZ 2.86Å; R127-K217 WeakPolarHBondContact CB-O 3.27Å; R127-K217 WeakPolarHBondContact CD-O 3.29Å; R127-K217 WeakPolarHBondContact CG-O 3.05Å; R212-K217 PolarHBondContact O-N 2.99Å; D215-K217 HydrophobicContact CB-CG 3.8Å; D215-K217 PolarHBondContact O-N 3.08Å
218H98.1Very high98.1Very high5 Ų541.3 Ų41.32%0.02320%0.2CC..SBendtrans-144.1150-176.6-71.7-72.4000111.1S161 R212 D222 V223S161-H218 PolarHBondContact O-CE1 3.49Å; S161-H218 PolarHBondContact O-ND1 2.95Å; S161-H218 PolarHBondContact OG-ND1 3.46Å; R212-H218 HydrophobicContact CB-CB 4.2Å; R212-H218 PolarHBondContact O-N 2.88Å; R212-H218 VanDerWaalsContact O-N 3.14Å; H218-D222 HydrophobicContact CB-CB 4.12Å; H218-V223 HydrophobicContact CB-CG2 3.89Å
219H98.2Very high98.1Very high20 Ų2042.3 Ų42.39%0.09321%0.205CC..  trans-69.5153.2167.9-59.9-88.3000109.3D45 R125 P126 S221 D222 V223D45-H219 PolarHBondContact O-CE1 2.91Å; R125-H219 VanDerWaalsContact CZ-CG 3.43Å; R125-H219 PolarHBondContact NE-CD2 3.47Å; R125-H219 PolarHBondContact NH2-CD2 2.9Å; R125-H219 PolarHBondContact NH2-ND1 2.95Å; P126-H219 PolarHBondContact O-NE2 2.88Å; P126-H219 VanDerWaalsContact O-NE2 3.1Å; H219-S221 PolarHBondContact O-N 3.06Å; H219-S221 VanDerWaalsContact O-N 3.16Å; H219-D222 VanDerWaalsContact CB-OD2 3.29Å; H219-D222 WeakPolarHBondContact CB-OD2 3.5Å; H219-D222 IonicContact CD2-OD2 3.53Å; H219-D222 PolarHBondContact CD2-OD2 3.14Å; H219-D222 VanDerWaalsContact CD2-OD2 3.22Å; H219-D222 IonicContact CG-OD2 2.86Å; H219-D222 PolarHBondContact N-OD2 3.4Å; H219-D222 WeakPolarHBondContact O-CB 3.32Å; H219-D222 PolarHBondContact O-N 3.11Å; H219-V223 PolarHBondContact O-N 3Å; H219-V223 VanDerWaalsContact O-N 3.16Å
220W97.8Very high98.2Very high182 Ų18242.3 Ų42.369%0.68921%0.205SC*.Hα-helixtrans-57.3-33.8178.868.4-96.4000112.1V213 V223 L224V213-W220 HydrophobicContact CG2-CB 4.46Å; W220-V223 PolarHBondContact O-N 3.21Å; W220-L224 HydrophobicContact CZ3-CD2 3.95Å; W220-L224 PolarHBondContact O-N 3.07Å
221S98.2Very high98.2Very high31 Ų3136.2 Ų36.222%0.21719%0.185CC..Hα-helixtrans-67.1-38.6176.944.30000112.2R125 H219 V223 L224 V225R125-S221 PolarHBondContact NH1-OG 2.91Å; H219-S221 PolarHBondContact O-N 3.06Å; H219-S221 VanDerWaalsContact O-N 3.16Å; S221-V223 VanDerWaalsContact C-N 3.27Å; S221-V223 PolarHBondContact O-N 3.37Å; S221-L224 PolarHBondContact O-N 3.46Å; S221-V225 WeakPolarHBondContact O-CG2 3.08Å; S221-V225 PolarHBondContact O-N 3.42Å
222D98.4Very high98.2Very high0 Ų040.5 Ų40.50%021%0.208CC..Hα-helixtrans-64.7-35.4175-53.5-31.6000111.1R125 S161 F162 Y163 S164 H218 H219 G226R125-D222 IonicContact CZ-OD1 3.57Å; R125-D222 IonicContact NE-OD1 3.84Å; R125-D222 IonicContact NH1-OD1 3.48Å; R125-D222 PolarHBondContact NH1-OD1 2.68Å; R125-D222 IonicContact NH1-OD2 3.83Å; S161-D222 PolarHBondContact OG-OD2 2.66Å; F162-D222 WeakPolarHBondContact CD2-OD1 3.31Å; Y163-D222 WeakPolarHBondContact CB-O 3.31Å; S164-D222 PolarHBondContact N-O 3.48Å; H218-D222 HydrophobicContact CB-CB 4.12Å; H219-D222 VanDerWaalsContact CB-OD2 3.29Å; H219-D222 WeakPolarHBondContact CB-OD2 3.5Å; H219-D222 IonicContact CD2-OD2 3.53Å; H219-D222 PolarHBondContact CD2-OD2 3.14Å; H219-D222 VanDerWaalsContact CD2-OD2 3.22Å; H219-D222 IonicContact CG-OD2 2.86Å; H219-D222 PolarHBondContact N-OD2 3.4Å; H219-D222 WeakPolarHBondContact O-CB 3.32Å; H219-D222 PolarHBondContact O-N 3.11Å; D222-G226 PolarHBondContact O-N 2.68Å; D222-G226 VanDerWaalsContact O-N 3.12Å
223V98.6Very high98.2Very high7 Ų741.5 Ų41.54%0.04221%0.213CC..Hα-helixtrans-70.1-45.4176.2169.10000110.9S167 R212 V213 H218 H219 W220 S221 G226 F227S167-V223 WeakPolarHBondContact OG-CG1 3.35Å; R212-V223 HydrophobicContact CB-CG2 3.86Å; V213-V223 HydrophobicContact CG2-CB 4.26Å; V213-V223 HydrophobicContact CG2-CG2 3.78Å; H218-V223 HydrophobicContact CB-CG2 3.89Å; H219-V223 PolarHBondContact O-N 3Å; H219-V223 VanDerWaalsContact O-N 3.16Å; W220-V223 PolarHBondContact O-N 3.21Å; S221-V223 VanDerWaalsContact C-N 3.27Å; S221-V223 PolarHBondContact O-N 3.37Å; V223-G226 PolarHBondContact O-N 3.4Å; V223-F227 HydrophobicContact CG1-CD2 4.01Å; V223-F227 HydrophobicContact CG1-CE2 3.51Å; V223-F227 HydrophobicContact CG1-CZ 3.85Å; V223-F227 WeakPolarHBondContact O-CG 3.18Å; V223-F227 PolarHBondContact O-N 3.39Å
224L98.6Very high98.2Very high82 Ų8238.8 Ų38.843%0.42920%0.197SC..Hα-helixtrans-61-48.6178.6178.561.5000112W220 S221 G226 F227 L228W220-L224 HydrophobicContact CZ3-CD2 3.95Å; W220-L224 PolarHBondContact O-N 3.07Å; S221-L224 PolarHBondContact O-N 3.46Å; L224-G226 VanDerWaalsContact C-N 3.28Å; L224-G226 PolarHBondContact O-N 2.95Å; L224-F227 WeakPolarHBondContact O-CB 3.42Å; L224-F227 PolarHBondContact O-N 2.99Å; L224-F227 VanDerWaalsContact O-N 3.16Å; L224-L228 HydrophobicContact CD1-CD1 4.48Å; L224-L228 HydrophobicContact CD1-CG 4.43Å; L224-L228 HydrophobicContact CG-CD1 4.28Å; L224-L228 WeakPolarHBondContact O-CG 3.38Å; L224-L228 PolarHBondContact O-N 3.42Å
225V98.6Very high98.2Very high48 Ų4840.2 Ų40.229%0.29120%0.198SC..Hα-helixtrans-62.1-39.5176.9175.90000110.6F162 Y163 S221 F227 L228 Q229F162-V225 HydrophobicContact CE1-CG1 4.48Å; F162-V225 HydrophobicContact CE2-CB 4.48Å; F162-V225 HydrophobicContact CE2-CG2 4.14Å; F162-V225 HydrophobicContact CZ-CB 4.32Å; F162-V225 HydrophobicContact CZ-CG1 3.95Å; F162-V225 HydrophobicContact CZ-CG2 4.13Å; Y163-V225 HydrophobicContact CD1-CB 4.49Å; Y163-V225 HydrophobicContact CD1-CG1 3.53Å; Y163-V225 HydrophobicContact CE1-CG1 4.21Å; Y163-V225 HydrophobicContact CG-CB 4.33Å; Y163-V225 HydrophobicContact CG-CG1 3.8Å; S221-V225 WeakPolarHBondContact O-CG2 3.08Å; S221-V225 PolarHBondContact O-N 3.42Å; V225-F227 PolarHBondContact O-N 3.23Å; V225-L228 PolarHBondContact O-N 3.07Å; V225-Q229 WeakPolarHBondContact O-CB 3.33Å; V225-Q229 PolarHBondContact O-N 3.39Å
226G98.6Very high98.1Very high0 Ų043.2 Ų43.20%021%0.214CC..Hα-helixtrans-57.3-46.817300000112.5Y163 S168 D222 V223 L224 G230Y163-G226 VanDerWaalsContact CD2-CA 3.46Å; S168-G226 WeakPolarHBondContact CA-O 3.18Å; S168-G226 WeakPolarHBondContact CB-O 3.29Å; D222-G226 PolarHBondContact O-N 2.68Å; D222-G226 VanDerWaalsContact O-N 3.12Å; V223-G226 PolarHBondContact O-N 3.4Å; L224-G226 VanDerWaalsContact C-N 3.28Å; L224-G226 PolarHBondContact O-N 2.95Å; G226-G230 PolarHBondContact O-N 2.9Å
227F98.8Very high98Very high27 Ų2740.5 Ų40.512%0.11820%0.204CC..Hα-helixtrans-61.5-47.5175.4-68.7-32.5000113M171 A205 V223 L224 V225 Q229 G230 A231M171-F227 HydrophobicContact CB-CD1 3.95Å; M171-F227 HydrophobicContact CE-CB 4.14Å; M171-F227 HydrophobicContact CE-CD1 3.66Å; M171-F227 HydrophobicContact CE-CE1 4.15Å; M171-F227 HydrophobicContact CE-CG 3.96Å; M171-F227 HydrophobicContact CG-CD1 4.46Å; M171-F227 WeakPolarHBondContact CG-O 3.41Å; A205-F227 VanDerWaalsContact O-CE1 3.28Å; A205-F227 WeakPolarHBondContact O-CE1 3.22Å; V223-F227 HydrophobicContact CG1-CD2 4.01Å; V223-F227 HydrophobicContact CG1-CE2 3.51Å; V223-F227 HydrophobicContact CG1-CZ 3.85Å; V223-F227 WeakPolarHBondContact O-CG 3.18Å; V223-F227 PolarHBondContact O-N 3.39Å; L224-F227 WeakPolarHBondContact O-CB 3.42Å; L224-F227 PolarHBondContact O-N 2.99Å; L224-F227 VanDerWaalsContact O-N 3.16Å; V225-F227 PolarHBondContact O-N 3.23Å; F227-Q229 VanDerWaalsContact C-N 3.34Å; F227-Q229 PolarHBondContact O-N 3.12Å; F227-G230 PolarHBondContact O-N 2.95Å; F227-A231 VanDerWaalsContact O-CB 3.25Å; F227-A231 WeakPolarHBondContact O-CB 3.49Å; F227-A231 PolarHBondContact O-N 3.01Å
228L98.7Very high97.8Very high111 Ų11140 Ų4058%0.58120%0.202SC*.Hα-helixtrans-60.2-45.8179.9-69.8174.5000111.5L224 V225 A231 L232L224-L228 HydrophobicContact CD1-CD1 4.48Å; L224-L228 HydrophobicContact CD1-CG 4.43Å; L224-L228 HydrophobicContact CG-CD1 4.28Å; L224-L228 WeakPolarHBondContact O-CG 3.38Å; L224-L228 PolarHBondContact O-N 3.42Å; V225-L228 PolarHBondContact O-N 3.07Å; L228-A231 PolarHBondContact O-N 3.01Å; L228-L232 VanDerWaalsContact O-CB 3.3Å; L228-L232 WeakPolarHBondContact O-CB 3.28Å; L228-L232 PolarHBondContact O-N 3.13Å
229Q98.6Very high97.5Very high20 Ų2047.5 Ų47.59%0.09323%0.23CC..Hα-helixtrans-67-46179.4178.5-86.9-22.200111.8S112 Y163 V225 F227 A231 L232 I233S112-Q229 PolarHBondContact OG-NE2 2.93Å; S112-Q229 PolarHBondContact OG-OE1 3.44Å; Y163-Q229 HydrophobicContact CE2-CB 4.18Å; Y163-Q229 HydrophobicContact CE2-CG 4.24Å; Y163-Q229 WeakPolarHBondContact OH-CG 3.3Å; Y163-Q229 PolarHBondContact OH-OE1 2.92Å; V225-Q229 WeakPolarHBondContact O-CB 3.33Å; V225-Q229 PolarHBondContact O-N 3.39Å; F227-Q229 VanDerWaalsContact C-N 3.34Å; F227-Q229 PolarHBondContact O-N 3.12Å; Q229-A231 VanDerWaalsContact C-N 3.29Å; Q229-A231 PolarHBondContact O-N 3.43Å; Q229-L232 PolarHBondContact O-N 2.03Å; Q229-I233 VanDerWaalsContact NE2-CG1 3.32Å; Q229-I233 WeakPolarHBondContact O-CG1 3.41Å; Q229-I233 PolarHBondContact O-N 3.48Å
230G98.5Very high97.1Very high0 Ų054.8 Ų54.80%026%0.258CS..Hα-helixtrans-59.8-41.6177.600000111.9Y172 G226 F227 A234Y172-G230 WeakPolarHBondContact CA-O 3.49Å; G226-G230 PolarHBondContact O-N 2.9Å; F227-G230 PolarHBondContact O-N 2.95Å; G230-A234 WeakPolarHBondContact O-CB 3.37Å; G230-A234 PolarHBondContact O-N 2.92Å
231A98.6Very high96.6Very high22 Ų2249.3 Ų49.318%0.18225%0.245CC..Hα-helixtrans-65.4-44.8176.300000112.3M171 L175 F227 L228 Q229 I233 A234 I235M171-A231 HydrophobicContact CG-CB 4.03Å; L175-A231 HydrophobicContact CD2-CB 3.68Å; F227-A231 VanDerWaalsContact O-CB 3.25Å; F227-A231 WeakPolarHBondContact O-CB 3.49Å; F227-A231 PolarHBondContact O-N 3.01Å; L228-A231 PolarHBondContact O-N 3.01Å; Q229-A231 VanDerWaalsContact C-N 3.29Å; Q229-A231 PolarHBondContact O-N 3.43Å; A231-I233 PolarHBondContact O-N 2.79Å; A231-A234 PolarHBondContact O-N 2.02Å; A231-I235 VanDerWaalsContact O-CG1 3.27Å; A231-I235 WeakPolarHBondContact O-CG1 3.09Å; A231-I235 PolarHBondContact O-N 3.39Å
232L98.5Very high95.9Very high95 Ų9548.1 Ų48.150%0.49724%0.237SC..Hα-helixtrans-57.3-50.3177.3177.563000111.2L228 Q229 A234 I235 L236L228-L232 VanDerWaalsContact O-CB 3.3Å; L228-L232 WeakPolarHBondContact O-CB 3.28Å; L228-L232 PolarHBondContact O-N 3.13Å; Q229-L232 PolarHBondContact O-N 2.03Å; L232-A234 VanDerWaalsContact C-N 3.35Å; L232-A234 PolarHBondContact O-N 2.96Å; L232-I235 PolarHBondContact O-N 3.43Å; L232-L236 HydrophobicContact CD1-CD1 3.88Å; L232-L236 HydrophobicContact CD1-CG 4.02Å; L232-L236 HydrophobicContact CG-CD1 3.94Å; L232-L236 HydrophobicContact CG-CG 4.42Å; L232-L236 WeakPolarHBondContact O-CB 3.02Å; L232-L236 VanDerWaalsContact O-CG 3.3Å; L232-L236 WeakPolarHBondContact O-CG 3.05Å; L232-L236 PolarHBondContact O-N 3.48Å
233I98.3Very high94.9Very high20 Ų2051.6 Ų51.610%0.10326%0.255CS..Hα-helixtrans-64-40.8179.7-60.8-54.5000111.1G108 V111 L115 Y172 Q229 A231 I235 L236 N237G108-I233 WeakPolarHBondContact O-CG2 3.47Å; V111-I233 HydrophobicContact CG1-CD1 4.1Å; V111-I233 HydrophobicContact CG1-CG2 4.43Å; L115-I233 HydrophobicContact CD1-CD1 3.9Å; L115-I233 HydrophobicContact CD1-CG1 4.35Å; Y172-I233 HydrophobicContact CD2-CB 4.15Å; Y172-I233 HydrophobicContact CD2-CG2 3.89Å; Y172-I233 HydrophobicContact CE2-CG2 3.84Å; Q229-I233 VanDerWaalsContact NE2-CG1 3.32Å; Q229-I233 WeakPolarHBondContact O-CG1 3.41Å; Q229-I233 PolarHBondContact O-N 3.48Å; A231-I233 PolarHBondContact O-N 2.79Å; I233-I235 PolarHBondContact O-N 3.14Å; I233-L236 PolarHBondContact O-N 3.32Å; I233-N237 WeakPolarHBondContact O-CB 3.33Å; I233-N237 PolarHBondContact O-N 2.86Å
234A97.8Very high93.7Very high0 Ų051.7 Ų51.70%026%0.255CS..Hα-helixtrans-61.2-45176.700000111.9Y172 L175 F176 G230 A231 L232 V238Y172-A234 HydrophobicContact CD2-CB 3.85Å; Y172-A234 HydrophobicContact CE2-CB 4.24Å; L175-A234 HydrophobicContact CB-CB 4.11Å; L175-A234 HydrophobicContact CD2-CB 4.13Å; L175-A234 HydrophobicContact CG-CB 4.22Å; F176-A234 HydrophobicContact CB-CB 4.45Å; G230-A234 WeakPolarHBondContact O-CB 3.37Å; G230-A234 PolarHBondContact O-N 2.92Å; A231-A234 PolarHBondContact O-N 2.02Å; L232-A234 VanDerWaalsContact C-N 3.35Å; L232-A234 PolarHBondContact O-N 2.96Å; A234-V238 WeakPolarHBondContact O-CB 3.23Å; A234-V238 VanDerWaalsContact O-CG2 3.26Å; A234-V238 WeakPolarHBondContact O-CG2 3.31Å; A234-V238 PolarHBondContact O-N 3.27Å
235I96.9Very high92Very high89 Ų8952.2 Ų52.246%0.45625%0.254SS..Hα-helixtrans-63.9-50.3178.4-68.3165.3000110.7L175 L179 A231 L232 I233 N237 V238 R239L175-I235 HydrophobicContact CD2-CD1 4.48Å; L175-I235 HydrophobicContact CD2-CG1 4.25Å; L179-I235 HydrophobicContact CD1-CG1 4.41Å; A231-I235 VanDerWaalsContact O-CG1 3.27Å; A231-I235 WeakPolarHBondContact O-CG1 3.09Å; A231-I235 PolarHBondContact O-N 3.39Å; L232-I235 PolarHBondContact O-N 3.43Å; I233-I235 PolarHBondContact O-N 3.14Å; I235-N237 PolarHBondContact O-N 2.82Å; I235-V238 PolarHBondContact O-N 3.45Å; I235-R239 WeakPolarHBondContact O-CB 3.36Å; I235-R239 PolarHBondContact O-N 3.18Å
236L96.3Very high90.4Very high72 Ų7256.3 Ų56.338%0.37727%0.268SS..Hα-helixtrans-61.2-44.9-179.9-69.1177.8000111.6L232 I233 R239 Y240L232-L236 HydrophobicContact CD1-CD1 3.88Å; L232-L236 HydrophobicContact CD1-CG 4.02Å; L232-L236 HydrophobicContact CG-CD1 3.94Å; L232-L236 HydrophobicContact CG-CG 4.42Å; L232-L236 WeakPolarHBondContact O-CB 3.02Å; L232-L236 VanDerWaalsContact O-CG 3.3Å; L232-L236 WeakPolarHBondContact O-CG 3.05Å; L232-L236 PolarHBondContact O-N 3.48Å; I233-L236 PolarHBondContact O-N 3.32Å; L236-R239 PolarHBondContact O-N 3.34Å; L236-Y240 HydrophobicContact CD2-CD2 3.93Å; L236-Y240 HydrophobicContact CD2-CE2 3.7Å; L236-Y240 WeakPolarHBondContact O-CB 3.17Å; L236-Y240 WeakPolarHBondContact O-CD2 3.15Å; L236-Y240 PolarHBondContact O-N 3.24Å
237N94.9Very high88.1Confident5 Ų564.5 Ų64.53%0.02731%0.306CS..Iπ-helixtrans-63.9-46.4-179.5-167.330.7000111.3T104 G108 Y172 I233 I235 R239 V241 S242T104-N237 PolarHBondContact O-ND2 2.97Å; G108-N237 WeakPolarHBondContact CA-ND2 3.39Å; Y172-N237 PolarHBondContact OH-ND2 2.81Å; I233-N237 WeakPolarHBondContact O-CB 3.33Å; I233-N237 PolarHBondContact O-N 2.86Å; I235-N237 PolarHBondContact O-N 2.82Å; N237-R239 VanDerWaalsContact C-N 3.32Å; N237-R239 PolarHBondContact O-N 3.42Å; N237-V241 WeakPolarHBondContact O-CA 3.46Å; N237-V241 VanDerWaalsContact O-CB 3.28Å; N237-V241 WeakPolarHBondContact O-CB 3.49Å; N237-V241 PolarHBondContact O-N 2.88Å; N237-V241 VanDerWaalsContact OD1-CB 3.25Å; N237-V241 WeakPolarHBondContact OD1-CB 3.28Å; N237-V241 WeakPolarHBondContact OD1-CG2 3.5Å; N237-S242 PolarHBondContact O-N 3.32Å
238V93.3Very high86Confident5 Ų568.9 Ų68.93%0.0332%0.322CS..Iπ-helixtrans-68.3-31.4177172.70000112.4F176 L179 A234 I235 S242 F244 F245F176-V238 HydrophobicContact CD2-CG2 3.56Å; F176-V238 HydrophobicContact CE2-CG2 3.76Å; F176-V238 HydrophobicContact CG-CG2 4.22Å; L179-V238 HydrophobicContact CB-CG1 4.12Å; L179-V238 HydrophobicContact CB-CG2 4.17Å; L179-V238 HydrophobicContact CD1-CB 4.05Å; L179-V238 HydrophobicContact CD1-CG1 4.26Å; L179-V238 HydrophobicContact CD1-CG2 3.96Å; A234-V238 WeakPolarHBondContact O-CB 3.23Å; A234-V238 VanDerWaalsContact O-CG2 3.26Å; A234-V238 WeakPolarHBondContact O-CG2 3.31Å; A234-V238 PolarHBondContact O-N 3.27Å; I235-V238 PolarHBondContact O-N 3.45Å; V238-S242 PolarHBondContact O-OG 3.11Å; V238-F244 HydrophobicContact CG1-CD2 4.02Å; V238-F244 HydrophobicContact CG2-CD2 4.36Å; V238-F244 HydrophobicContact CG2-CE2 4.31Å; V238-F245 HydrophobicContact CG1-CD2 3.9Å; V238-F245 HydrophobicContact CG1-CE2 3.51Å
239R90.9Very high83.1Confident162 Ų16269 Ų6961%0.61133%0.329SS*.Iπ-helixtrans-83.9-35.1-174.4-168.963.2-177.478.8-1.5113.9I235 L236 N237I235-R239 WeakPolarHBondContact O-CB 3.36Å; I235-R239 PolarHBondContact O-N 3.18Å; L236-R239 PolarHBondContact O-N 3.34Å; N237-R239 VanDerWaalsContact C-N 3.32Å; N237-R239 PolarHBondContact O-N 3.42Å
240Y89.8Confident80.3Confident172 Ų17273.7 Ų73.768%0.67536%0.362SS*.Iπ-helixtrans-115.9-27.7-171.1-63.3-67.1000114.2L236L236-Y240 HydrophobicContact CD2-CD2 3.93Å; L236-Y240 HydrophobicContact CD2-CE2 3.7Å; L236-Y240 WeakPolarHBondContact O-CB 3.17Å; L236-Y240 WeakPolarHBondContact O-CD2 3.15Å; L236-Y240 PolarHBondContact O-N 3.24Å
241V87.4Confident77.4Confident68 Ų6883 Ų8341%0.41240%0.397SS..Iπ-helixtrans-100.2-38.7-177.9-169.80000110.9T104 F107 N237T104-V241 HydrophobicContact CG2-CG1 3.98Å; F107-V241 HydrophobicContact CD1-CG1 4.38Å; F107-V241 HydrophobicContact CE1-CG2 4.42Å; N237-V241 WeakPolarHBondContact O-CA 3.46Å; N237-V241 VanDerWaalsContact O-CB 3.28Å; N237-V241 WeakPolarHBondContact O-CB 3.49Å; N237-V241 PolarHBondContact O-N 2.88Å; N237-V241 VanDerWaalsContact OD1-CB 3.25Å; N237-V241 WeakPolarHBondContact OD1-CB 3.28Å; N237-V241 WeakPolarHBondContact OD1-CG2 3.5Å
242S84.1Confident74.5Confident6 Ų687 Ų874%0.04242%0.422CS..  trans-85.8148.5-178.5100.40000113.3N237 V238 F244N237-S242 PolarHBondContact O-N 3.32Å; V238-S242 PolarHBondContact O-OG 3.11Å; S242-F244 VanDerWaalsContact C-N 3.28Å; S242-F244 PolarHBondContact O-N 3.28Å; S242-F244 WeakPolarHBondContact OG-CB 3.34Å; S242-F244 VanDerWaalsContact OG-CD2 3.25Å; S242-F244 WeakPolarHBondContact OG-CD2 3.2Å; S242-F244 WeakPolarHBondContact OG-CG 2.86Å; S242-F244 PolarHBondContact OG-N 3.47Å
243D76.8Confident71.6Confident73 Ų7387.6 Ų87.639%0.3943%0.434SS..  trans-91.321.3173-68.6-33.3000112.2F245 K246D243-F245 VanDerWaalsContact C-N 3.35Å; D243-F245 PolarHBondContact O-N 3.1Å; D243-K246 WeakPolarHBondContact OD1-CD 3.33Å; D243-K246 WeakPolarHBondContact OD1-CE 3.39Å; D243-K246 IonicContact OD1-NZ 2.76Å; D243-K246 PolarHBondContact OD1-NZ 2.77Å
244F73.6Confident69Low8 Ų890.5 Ų90.54%0.03546%0.456CS..SBendtrans-65-38.4-171.4-64.9-7.8000112.9V101 F176 Y180 A183 V238 S242V101-F244 HydrophobicContact CB-CE1 4.17Å; V101-F244 HydrophobicContact CB-CZ 4.21Å; V101-F244 HydrophobicContact CG1-CE1 4.08Å; V101-F244 HydrophobicContact CG1-CZ 3.67Å; V101-F244 HydrophobicContact CG2-CE1 3.69Å; V101-F244 HydrophobicContact CG2-CZ 4.16Å; F176-F244 AromaticContact CE1-CE2 3.76Å; F176-F244 HydrophobicContact CE1-CE2 3.76Å; F176-F244 AromaticContact CE1-CZ 3.94Å; F176-F244 HydrophobicContact CE1-CZ 3.94Å; F176-F244 HydrophobicContact CE2-CE2 4.14Å; F176-F244 HydrophobicContact CE2-CZ 4.46Å; F176-F244 AromaticContact CZ-CE2 3.5Å; F176-F244 HydrophobicContact CZ-CE2 3.5Å; F176-F244 AromaticContact CZ-CZ 3.55Å; F176-F244 HydrophobicContact CZ-CZ 3.55Å; Y180-F244 HydrophobicContact CD2-CD2 4.33Å; Y180-F244 HydrophobicContact CD2-CE1 4.45Å; Y180-F244 HydrophobicContact CD2-CE2 4.01Å; Y180-F244 HydrophobicContact CD2-CZ 4.1Å; A183-F244 HydrophobicContact CB-CB 3.72Å; V238-F244 HydrophobicContact CG1-CD2 4.02Å; V238-F244 HydrophobicContact CG2-CD2 4.36Å; V238-F244 HydrophobicContact CG2-CE2 4.31Å; S242-F244 VanDerWaalsContact C-N 3.28Å; S242-F244 PolarHBondContact O-N 3.28Å; S242-F244 WeakPolarHBondContact OG-CB 3.34Å; S242-F244 VanDerWaalsContact OG-CD2 3.25Å; S242-F244 WeakPolarHBondContact OG-CD2 3.2Å; S242-F244 WeakPolarHBondContact OG-CG 2.86Å; S242-F244 PolarHBondContact OG-N 3.47Å
245F63.8Low66.2Low93 Ų9398.4 Ų98.441%0.40849%0.493SS..SBendtrans-100.1-7.4-177-68.3-76.3000114.3Q182 A183 V238 D243 Q247Q182-F245 HydrophobicContact CB-CZ 4.27Å; Q182-F245 HydrophobicContact CG-CE1 4.2Å; Q182-F245 HydrophobicContact CG-CZ 4.1Å; A183-F245 HydrophobicContact CB-CD1 4.25Å; A183-F245 HydrophobicContact CB-CE1 3.89Å; A183-F245 HydrophobicContact CB-CE2 4.3Å; A183-F245 HydrophobicContact CB-CZ 3.92Å; V238-F245 HydrophobicContact CG1-CD2 3.9Å; V238-F245 HydrophobicContact CG1-CE2 3.51Å; D243-F245 VanDerWaalsContact C-N 3.35Å; D243-F245 PolarHBondContact O-N 3.1Å; F245-Q247 PolarHBondContact O-N 2.86Å
246K64.6Low63.5Low134 Ų134102.3 Ų102.358%0.58351%0.51SS*.SBendtrans-68.4126.3172.8-68.1-176.5-167.8156.80108.7D243 R248D243-K246 WeakPolarHBondContact OD1-CD 3.33Å; D243-K246 WeakPolarHBondContact OD1-CE 3.39Å; D243-K246 IonicContact OD1-NZ 2.76Å; D243-K246 PolarHBondContact OD1-NZ 2.77Å; K246-R248 PolarHBondContact O-N 3.33Å; K246-R248 VanDerWaalsContact O-N 3.15Å
247Q50.8Low60.7Low173 Ų173103 Ų10381%0.80852%0.517SS*.PPolyproline II helixtrans-61.8118.8171.3-65.3-172.25.200107.4F245 P249F245-Q247 PolarHBondContact O-N 2.86Å; Q247-P249 WeakPolarHBondContact O-CD 3.1Å
248R53.7Low58.1Low118 Ų118105.5 Ų105.545%0.44554%0.538SS..PPolyproline II helixtrans-68.7118.3168.4-68.2-176.4-177.2173.73.5105.8I85 K246I85-R248 VanDerWaalsContact CG1-NH1 3.32Å; K246-R248 PolarHBondContact O-N 3.33Å; K246-R248 VanDerWaalsContact O-N 3.15Å
249P38.1Very low55.7Low113 Ų113112.6 Ų112.673%0.73457%0.571SS**PPolyproline II helixtrans-58.7133179.522.5-30.7000108.4Q247 R251Q247-P249 WeakPolarHBondContact O-CD 3.1Å; P249-R251 PolarHBondContact O-N 3.35Å
250P38.9Very low53.4Low120 Ų120108.5 Ų108.578%0.77957%0.568SS**PPolyproline II helixtrans-58.9129.3166.124.3-29.1000107.4C252P250-C252 PolarHBondContact O-N 3.12Å
251R38.5Very low51.3Low195 Ų195106.2 Ų106.274%0.73656%0.563SS**PPolyproline II helixtrans-66.1124.4165.7-112.6-174.9174.8-175-4.4106.6N88 P249 S253N88-R251 PolarHBondContact ND2-NE 3.16Å; N88-R251 PolarHBondContact ND2-NH1 3.4Å; N88-R251 PolarHBondContact OD1-NH1 3.24Å; P249-R251 PolarHBondContact O-N 3.35Å; R251-S253 PolarHBondContact O-N 2.89Å
252C37.1Very low49.2Very low106 Ų106110.1 Ų110.172%0.71658%0.577SS**PPolyproline II helixtrans-50.2130.2160.7-72.60000108.4P250 S254P250-C252 PolarHBondContact O-N 3.12Å; C252-S254 PolarHBondContact O-N 3.26Å
253S37.3Very low47.3Very low108 Ų108117 Ų11776%0.75561%0.612SS**  trans-64.188.1162.952.30000108.1R251R251-S253 PolarHBondContact O-N 2.89Å
254S44.1Very low45.8Very low80 Ų80122.1 Ų122.156%0.55963%0.634SS**  trans-148.486.4172.752.70000108.5C252C252-S254 PolarHBondContact O-N 3.26Å
255Q39.9Very low44.3Very low167 Ų167130.8 Ų130.878%0.7867%0.666SS**SBendtrans-163.4-23.8133.6-108.7166.3-18.900114.1
256E39.5Very low42.9Very low171 Ų171135 Ų13580%0.79969%0.685SS**Hα-helixtrans-87.1-28179-76.8177.2157.800114.7S260E256-S260 PolarHBondContact O-OG 2.93Å; E256-S260 VanDerWaalsContact O-OG 3.09Å
257T38.1Very low41.5Very low86 Ų86134.1 Ų134.153%0.52869%0.692SS.*Hα-helixtrans-79.5-22.5178.417.30000113.8E261T257-E261 PolarHBondContact O-N 3.38Å
258A40.2Very low40.9Very low58 Ų58131 Ų13148%0.47969%0.69SS.*Hα-helixtrans-78.9-36179.400000112.6E262A258-E262 WeakPolarHBondContact O-CB 3.44Å; A258-E262 PolarHBondContact O-N 2.93Å; A258-E262 VanDerWaalsContact O-N 3.15Å
259E43.3Very low39.8Very low153 Ų153133.8 Ų133.872%0.71571%0.712SS**Hα-helixtrans-71.1-31175.7-97.8-179.915400112.5L263E259-L263 PolarHBondContact O-N 3.46Å
260S41.3Very low39.7Very low77 Ų77136.8 Ų136.854%0.53872%0.717SS.*Hα-helixtrans-74.5-39.2179.1-550000112.2E256 E264E256-S260 PolarHBondContact O-OG 2.93Å; E256-S260 VanDerWaalsContact O-OG 3.09Å; S260-E264 PolarHBondContact O-N 3.17Å
261E46.4Very low39.7Very low124 Ų124140.1 Ų140.158%0.57972%0.724SS**Hα-helixtrans-76.8-24176.7-74.1-171.3167.900113.6T257 R265T257-E261 PolarHBondContact O-N 3.38Å; E261-R265 WeakPolarHBondContact O-CB 3.48Å; E261-R265 PolarHBondContact O-N 3.03Å
262E44.2Very low39.4Very low149 Ų149135.6 Ų135.670%0.69673%0.729SS**Hα-helixtrans-80.5-27.7176.6-163.5171.3167.300112.4A258A258-E262 WeakPolarHBondContact O-CB 3.44Å; A258-E262 PolarHBondContact O-N 2.93Å; A258-E262 VanDerWaalsContact O-N 3.15Å
263L43.4Very low39.1Very low152 Ų152138.7 Ų138.780%0.79674%0.738SS**Hα-helixtrans-75.7-31.6175.1-154.577.9000112.8E259 R265E259-L263 PolarHBondContact O-N 3.46Å; L263-R265 VanDerWaalsContact C-N 3.35Å
264E45.4Very low39Very low180 Ų180137.7 Ų137.784%0.84174%0.736SS**Hα-helixtrans-77.3-15.5173.3-91-169.1121.500113.8S260S260-E264 PolarHBondContact O-N 3.17Å
265R42.4Very low38.5Very low190 Ų190142.7 Ų142.772%0.71775%0.751SS**THydrogen-bonded Turntrans-95.919.9-177.2-154.3-170.5-71.1175.6-1.3114.4E261 L263 P267E261-R265 WeakPolarHBondContact O-CB 3.48Å; E261-R265 PolarHBondContact O-N 3.03Å; L263-R265 VanDerWaalsContact C-N 3.35Å; R265-P267 WeakPolarHBondContact O-CD 3.42Å
266K33.4Very low38Very low182 Ų182142.8 Ų142.879%0.79175%0.751SS**  trans-97.1105.2165.8-89.7-175.9175177.70109.8S268K266-S268 PolarHBondContact O-N 3.14Å
267P35.1Very low37.5Very low114 Ų114141 Ų14174%0.7475%0.747SS**  trans-69.2129.9168.218.5-12000108.9R265 L269R265-P267 WeakPolarHBondContact O-CD 3.42Å; P267-L269 PolarHBondContact O-N 3.35Å; P267-L269 VanDerWaalsContact O-N 3.12Å
268S37.9Very low37.3Very low108 Ų108144 Ų14476%0.75576%0.76SS**  trans-53.7109.6164.646.60000109.8K266 Q270K266-S268 PolarHBondContact O-N 3.14Å; S268-Q270 PolarHBondContact O-N 2.7Å; S268-Q270 VanDerWaalsContact O-N 3.08Å
269L32Very low36.9Very low176 Ų176150.3 Ų150.392%0.92178%0.779SS**  trans-70.299.1171.3-117.7137.5000108.3P267P267-L269 PolarHBondContact O-N 3.35Å; P267-L269 VanDerWaalsContact O-N 3.12Å
270Q34.6Very low36.5Very low177 Ų177153.4 Ų153.483%0.82779%0.786SS**  trans-85.2143160.1-81.3-175-11.900109.8S268S268-Q270 PolarHBondContact O-N 2.7Å; S268-Q270 VanDerWaalsContact O-N 3.08Å
271M39.3Very low36Very low189 Ų189155 Ų15593%0.93180%0.797SS**  trans-55.6140.1176.6-63.4158.557.600112.5
272A31.6Very low35.4Very low101 Ų101159.5 Ų159.584%0.83581%0.81SS**  trans-156142.6153.400000110.6
273D32.5Very low35.3Very low171 Ų171158.3 Ų158.391%0.91482%0.815SS**  trans-62.3157.6-158.3-78.7-53.5000118.1
274A34.3Very low34.9Very low87 Ų87153.8 Ų153.872%0.71981%0.805SS**  trans-83.9159.1171.100000112.7
275E32.8Very low34.7Very low184 Ų184151.4 Ų151.486%0.8681%0.805SS**  trans77.5102.6157.8-64.1-172.7137.900119.6
276H30.4Very low34.5Very low169 Ų169152.6 Ų152.678%0.78283%0.833SS**  -160.1127.1123.1-13150.8000115
277N28.6Very low34.5Very low133 Ų133151.1 Ų151.171%0.71184%0.835SS**  trans69.9116.6146.5-70.6-4.9000124.2
278N33.8Very low34.5Very low150 Ų150153.1 Ų153.180%0.80284%0.84SS**  trans-48.6142.5148.8-72-33.7000113.4
279H31.9Very low34.3Very low191 Ų191155.6 Ų155.688%0.88485%0.845SS**  -173.4138.5120.4-111.7-79.8000112.8
280Y35Very low34.4Very low218 Ų218154.4 Ų154.486%0.85584%0.841SS**  trans-66148.3172.1-91.3-101.5000113.6
281S31.1Very low34.4Very low111 Ų111152.9 Ų152.978%0.77684%0.841SS**  143.2127.1123.2-76.20000115.3
282Y34.2Very low34.1Very low218 Ų218150.5 Ų150.586%0.85584%0.835SS**  trans-87.6154.7142.7-107.4-91000107.3
283P42.1Very low34.3Very low123 Ų123154.1 Ų154.180%0.79984%0.835SS**  -136.8156.35928.5-5.5000113.6
284G33.8Very low34.4Very low58 Ų58152.8 Ų152.860%0.59883%0.829SS**  92.6134.587.600000112.1
285P42.9Very low34.4Very low129 Ų129158.3 Ų158.384%0.83884%0.839SS**  trans-86.8137.3-16934.4-31.7000113
286V36.7Very low34.6Very low215 Ų215155.9 Ų155.9100%1.30384%0.837SS**  176.80126.3172.80000106.9

Retrieved 286 of 286 residues in 58.1 ms (Link to these results)

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