A0A077ZJA6_TRITR Loading...

TBC1 domain family member 23

AlphaFold DB , UniProt , Accession A0A077ZJA6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 628 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
1M42.9Very low66.4Low185 Ų18582.7 Ų82.791%0.91142%0.418SS*.  0-60.90-80.7-173-173.400113.3L3 F4 V5M1-L3 PolarHBondContact O-N 3.45Å; M1-F4 PolarHBondContact O-N 3.02Å; M1-V5 PolarHBondContact O-N 3.39Å; M1-V5 VanDerWaalsContact O-N 3.12Å
2A49.7Very low68Low60 Ų6081.3 Ų81.350%0.49641%0.412SS..Hα-helixtrans-47.3-51.7-172.100000114.9F4 V5 T6A2-F4 VanDerWaalsContact C-N 3.32Å; A2-F4 PolarHBondContact O-N 3.38Å; A2-V5 PolarHBondContact O-N 2.97Å; A2-T6 WeakPolarHBondContact O-CB 3.49Å; A2-T6 PolarHBondContact O-N 2.87Å; A2-T6 PolarHBondContact O-OG1 3.39Å
3L50.3Low69.5Low156 Ų15675.4 Ų75.482%0.81738%0.382SS*.Hα-helixtrans-60.3-35.5179.9-77165.1000114.5M1 Y7M1-L3 PolarHBondContact O-N 3.45Å; L3-Y7 PolarHBondContact O-N 3.25Å; L3-Y7 VanDerWaalsContact O-N 3.08Å
4F53.4Low70.6Confident171 Ų17173.7 Ų73.775%0.7539%0.393SS*.Hα-helixtrans-73.1-42.9179.8-161.6-93000110.7M1 A2 T6 Y7 S8M1-F4 PolarHBondContact O-N 3.02Å; A2-F4 VanDerWaalsContact C-N 3.32Å; A2-F4 PolarHBondContact O-N 3.38Å; F4-T6 VanDerWaalsContact C-N 3.33Å; F4-T6 PolarHBondContact O-N 3.28Å; F4-Y7 PolarHBondContact O-N 3.4Å; F4-S8 VanDerWaalsContact O-CB 3.3Å; F4-S8 WeakPolarHBondContact O-CB 3.08Å; F4-S8 PolarHBondContact O-N 3.14Å
5V62.4Low71.7Confident25 Ų2569.2 Ų69.215%0.15237%0.369CS..Hα-helixtrans-59-46.3172.41770000110.1M1 A2 Y7 S8 M9 L93 D174M1-V5 PolarHBondContact O-N 3.39Å; M1-V5 VanDerWaalsContact O-N 3.12Å; A2-V5 PolarHBondContact O-N 2.97Å; V5-Y7 PolarHBondContact O-N 3.4Å; V5-S8 PolarHBondContact O-N 3.26Å; V5-M9 WeakPolarHBondContact O-CB 3.11Å; V5-M9 PolarHBondContact O-N 3.01Å; V5-L93 HydrophobicContact CG1-CD2 4.19Å; V5-D174 HydrophobicContact CG1-CB 4.45Å
6T69.1Low72.2Confident14 Ų1468.4 Ų68.49%0.08637%0.371CS..Hα-helixtrans-59.8-46.9179.6-51.30000112.1A2 F4 I10 L93 L95A2-T6 WeakPolarHBondContact O-CB 3.49Å; A2-T6 PolarHBondContact O-N 2.87Å; A2-T6 PolarHBondContact O-OG1 3.39Å; F4-T6 VanDerWaalsContact C-N 3.33Å; F4-T6 PolarHBondContact O-N 3.28Å; T6-I10 HydrophobicContact CG2-CD1 4.22Å; T6-I10 VanDerWaalsContact O-CG1 3.29Å; T6-I10 WeakPolarHBondContact O-CG1 3.22Å; T6-I10 PolarHBondContact O-N 3.33Å; T6-I10 VanDerWaalsContact O-N 3.16Å; T6-L93 HydrophobicContact CG2-CB 4.34Å; T6-L93 PolarHBondContact OG1-O 3.12Å; T6-L95 HydrophobicContact CG2-CD2 3.25Å; T6-L95 HydrophobicContact CG2-CG 4.08Å
7Y73.1Confident72.7Confident163 Ų16375.1 Ų75.164%0.63940%0.399SS*.Hα-helixtrans-70.1-43.6-178-166.5-102000112.1L3 F4 V5 M9 I10 I11L3-Y7 PolarHBondContact O-N 3.25Å; L3-Y7 VanDerWaalsContact O-N 3.08Å; F4-Y7 PolarHBondContact O-N 3.4Å; V5-Y7 PolarHBondContact O-N 3.4Å; Y7-M9 PolarHBondContact O-N 2.68Å; Y7-I10 PolarHBondContact O-N 2.85Å; Y7-I11 HydrophobicContact CD1-CD1 3.69Å; Y7-I11 HydrophobicContact CE1-CD1 3.33Å; Y7-I11 HydrophobicContact CE1-CG1 4.39Å; Y7-I11 WeakPolarHBondContact O-CG1 3.27Å; Y7-I11 PolarHBondContact O-N 2.98Å
8S77.7Confident73.4Confident30 Ų3076.9 Ų76.921%0.2140%0.403CS..Hα-helixtrans-57.2-48.8174.4-175.30000111F4 V5 I10 I11 L12F4-S8 VanDerWaalsContact O-CB 3.3Å; F4-S8 WeakPolarHBondContact O-CB 3.08Å; F4-S8 PolarHBondContact O-N 3.14Å; V5-S8 PolarHBondContact O-N 3.26Å; S8-I10 PolarHBondContact O-N 3.19Å; S8-I11 PolarHBondContact O-N 3.46Å; S8-I11 VanDerWaalsContact O-N 3.1Å; S8-L12 VanDerWaalsContact O-CG 3.31Å; S8-L12 WeakPolarHBondContact O-CG 3.28Å; S8-L12 PolarHBondContact O-N 3Å; S8-L12 WeakPolarHBondContact OG-CD1 3.3Å
9M83Confident74.2Confident5 Ų578.1 Ų78.13%0.02542%0.418CS..Hα-helixtrans-58.6-44.4-179.9-175.3-178.874.400112.9V5 Y7 I11 L12 L13 L90 L93 L95 V103 L173 L177V5-M9 WeakPolarHBondContact O-CB 3.11Å; V5-M9 PolarHBondContact O-N 3.01Å; Y7-M9 PolarHBondContact O-N 2.68Å; M9-I11 VanDerWaalsContact C-N 3.27Å; M9-I11 PolarHBondContact O-N 3.15Å; M9-L12 PolarHBondContact O-N 3.43Å; M9-L13 HydrophobicContact CG-CD1 3.81Å; M9-L13 HydrophobicContact CG-CG 4.4Å; M9-L13 WeakPolarHBondContact O-CB 3.42Å; M9-L13 WeakPolarHBondContact O-CG 3.31Å; M9-L13 PolarHBondContact O-N 2.88Å; M9-L13 HydrophobicContact SD-CD1 4.48Å; M9-L90 HydrophobicContact CE-CD2 4.32Å; M9-L90 HydrophobicContact SD-CD2 4.34Å; M9-L93 HydrophobicContact CE-CD1 3.3Å; M9-L93 HydrophobicContact SD-CD1 3.64Å; M9-L95 HydrophobicContact CE-CD1 3.9Å; M9-V103 HydrophobicContact CE-CB 4.2Å; M9-V103 HydrophobicContact CE-CG1 3.4Å; M9-V103 VanDerWaalsContact CE-CG1 3.4Å; M9-V103 HydrophobicContact CE-CG2 3.74Å; M9-V103 HydrophobicContact SD-CG1 3.97Å; M9-L173 HydrophobicContact SD-CD2 4.04Å; M9-L177 HydrophobicContact CB-CD1 4.39Å; M9-L177 HydrophobicContact CG-CD1 3.49Å; M9-L177 VanDerWaalsContact CG-CD1 3.49Å; M9-L177 HydrophobicContact SD-CD1 4.2Å
10I83Confident74.9Confident12 Ų1278.1 Ų78.16%0.06242%0.418CS..Hα-helixtrans-61.1-38.4178.5-72.7167.6000111.2T6 Y7 S8 G14 V15 S16 L95 V103T6-I10 HydrophobicContact CG2-CD1 4.22Å; T6-I10 VanDerWaalsContact O-CG1 3.29Å; T6-I10 WeakPolarHBondContact O-CG1 3.22Å; T6-I10 PolarHBondContact O-N 3.33Å; T6-I10 VanDerWaalsContact O-N 3.16Å; Y7-I10 PolarHBondContact O-N 2.85Å; S8-I10 PolarHBondContact O-N 3.19Å; I10-G14 PolarHBondContact O-N 2.78Å; I10-V15 HydrophobicContact CB-CG2 4.38Å; I10-V15 HydrophobicContact CG2-CG2 4.1Å; I10-V15 WeakPolarHBondContact O-CG2 3.38Å; I10-V15 PolarHBondContact O-N 2.82Å; I10-S16 VanDerWaalsContact CG2-CA 3.45Å; I10-L95 HydrophobicContact CD1-CD2 3.82Å; I10-L95 HydrophobicContact CG1-CD2 4.35Å; I10-V103 HydrophobicContact CG1-CG2 4.42Å
11I85.3Confident75.6Confident89 Ų8975.9 Ų75.946%0.45641%0.408SS..Hα-helixtrans-70.5-50.8177.6-68.4173.5000110.3Y7 S8 M9 L13 G14Y7-I11 HydrophobicContact CD1-CD1 3.69Å; Y7-I11 HydrophobicContact CE1-CD1 3.33Å; Y7-I11 HydrophobicContact CE1-CG1 4.39Å; Y7-I11 WeakPolarHBondContact O-CG1 3.27Å; Y7-I11 PolarHBondContact O-N 2.98Å; S8-I11 PolarHBondContact O-N 3.46Å; S8-I11 VanDerWaalsContact O-N 3.1Å; M9-I11 VanDerWaalsContact C-N 3.27Å; M9-I11 PolarHBondContact O-N 3.15Å; I11-L13 VanDerWaalsContact C-N 3.26Å; I11-L13 PolarHBondContact O-N 2.91Å; I11-G14 WeakPolarHBondContact O-CA 3.48Å; I11-G14 PolarHBondContact O-N 2.78Å
12L85.7Confident77.9Confident66 Ų6667.8 Ų67.835%0.34637%0.368SS..Hα-helixtrans-60.1-35.2-177.9-68.9169.3000112.3S8 M9 G14 L177 Q178S8-L12 VanDerWaalsContact O-CG 3.31Å; S8-L12 WeakPolarHBondContact O-CG 3.28Å; S8-L12 PolarHBondContact O-N 3Å; S8-L12 WeakPolarHBondContact OG-CD1 3.3Å; M9-L12 PolarHBondContact O-N 3.43Å; L12-G14 VanDerWaalsContact C-N 3.29Å; L12-G14 PolarHBondContact O-N 3.02Å; L12-L177 HydrophobicContact CB-CB 4.32Å; L12-L177 HydrophobicContact CD1-CB 4.02Å; L12-Q178 HydrophobicContact CD1-CG 3.88Å
13L87.4Confident79.6Confident4 Ų470.4 Ų70.42%0.02138%0.377CS..THydrogen-bonded Turntrans-78.9-10.7175.8-68.1175.2000113.8M9 I11 V15 V103 A106 L107 Y111 L177M9-L13 HydrophobicContact CG-CD1 3.81Å; M9-L13 HydrophobicContact CG-CG 4.4Å; M9-L13 WeakPolarHBondContact O-CB 3.42Å; M9-L13 WeakPolarHBondContact O-CG 3.31Å; M9-L13 PolarHBondContact O-N 2.88Å; M9-L13 HydrophobicContact SD-CD1 4.48Å; I11-L13 VanDerWaalsContact C-N 3.26Å; I11-L13 PolarHBondContact O-N 2.91Å; L13-V15 HydrophobicContact CB-CG1 4.25Å; L13-V15 HydrophobicContact CB-CG2 4.04Å; L13-V103 HydrophobicContact CD1-CB 4.22Å; L13-V103 HydrophobicContact CD1-CG1 3.79Å; L13-V103 HydrophobicContact CD1-CG2 4.16Å; L13-A106 HydrophobicContact CB-CB 4.22Å; L13-A106 HydrophobicContact CD1-CB 4.38Å; L13-A106 HydrophobicContact CD2-CB 4.05Å; L13-A106 HydrophobicContact CG-CB 4.47Å; L13-L107 HydrophobicContact CD1-CD2 4.33Å; L13-L107 HydrophobicContact CD1-CG 4.27Å; L13-L107 HydrophobicContact CD2-CD2 4.07Å; L13-Y111 HydrophobicContact CD2-CD2 4.22Å; L13-Y111 HydrophobicContact CD2-CE2 3.63Å; L13-L177 HydrophobicContact CD1-CD1 4.36Å; L13-L177 HydrophobicContact CD2-CD1 4.33Å; L13-L177 HydrophobicContact CD2-CD2 3.62Å; L13-L177 HydrophobicContact CG-CD1 4.24Å; L13-L177 HydrophobicContact CG-CD2 4.37Å
14G84.7Confident80.8Confident52 Ų5267 Ų6754%0.53638%0.38SS..THydrogen-bonded Turntrans69.238.1-178.300000113.3I10 I11 L12I10-G14 PolarHBondContact O-N 2.78Å; I11-G14 WeakPolarHBondContact O-CA 3.48Å; I11-G14 PolarHBondContact O-N 2.78Å; L12-G14 VanDerWaalsContact C-N 3.29Å; L12-G14 PolarHBondContact O-N 3.02Å
15V87Confident81.7Confident6 Ų662.6 Ų62.64%0.03636%0.362CS..  trans-117.34.5-173.1-62.60000114.8I10 L13 H17 K18 H102 V103 A106I10-V15 HydrophobicContact CB-CG2 4.38Å; I10-V15 HydrophobicContact CG2-CG2 4.1Å; I10-V15 WeakPolarHBondContact O-CG2 3.38Å; I10-V15 PolarHBondContact O-N 2.82Å; L13-V15 HydrophobicContact CB-CG1 4.25Å; L13-V15 HydrophobicContact CB-CG2 4.04Å; V15-H17 VanDerWaalsContact C-N 3.3Å; V15-H17 PolarHBondContact O-N 3.26Å; V15-K18 HydrophobicContact CB-CD 4.46Å; V15-K18 HydrophobicContact CG1-CD 4.19Å; V15-H102 HydrophobicContact CB-CB 3.84Å; V15-H102 HydrophobicContact CG1-CB 3.93Å; V15-H102 HydrophobicContact CG2-CB 4.38Å; V15-V103 HydrophobicContact CG2-CG2 4.05Å; V15-A106 HydrophobicContact CG1-CB 4.35Å
16S80.1Confident82Confident57 Ų5767.3 Ų67.340%0.39939%0.386SS..THydrogen-bonded Turntrans-56.9-34.4-177.547.20000115.2I10I10-S16 VanDerWaalsContact CG2-CA 3.45Å
17H80.4Confident82Confident181 Ų18171.5 Ų71.584%0.83841%0.408SS*.THydrogen-bonded Turntrans-116.117.4-172.3-58.1-63.4000114.3V15V15-H17 VanDerWaalsContact C-N 3.3Å; V15-H17 PolarHBondContact O-N 3.26Å
18K86.1Confident82.1Confident108 Ų10868.4 Ų68.447%0.4740%0.402SS..  trans-74.7139179-71.3-166.7174.6-1740111.5V15 H102V15-K18 HydrophobicContact CB-CD 4.46Å; V15-K18 HydrophobicContact CG1-CD 4.19Å; K18-H102 VanDerWaalsContact CB-NE2 3.34Å; K18-H102 WeakPolarHBondContact CB-NE2 3.49Å; K18-H102 HydrophobicContact CD-CB 4.49Å; K18-H102 WeakPolarHBondContact CD-ND1 3.31Å
19S88.2Confident82.5Confident100 Ų10070 Ų7070%0.69941%0.405SS*.  trans-60.5154.6174.853.20000111.3P21 H102S19-P21 VanDerWaalsContact O-CD 3.32Å; S19-P21 WeakPolarHBondContact O-CD 3.34Å; S19-P21 VanDerWaalsContact O-N 3.17Å; S19-H102 PolarHBondContact O-CE1 3.23Å; S19-H102 PolarHBondContact O-NE2 3.26Å
20N88.7Confident82.7Confident78 Ų7874.3 Ų74.342%0.41743%0.428SS..  trans-65.1115.4176-179.2-6.9000109.4F22 V23 A98N20-F22 PolarHBondContact O-N 3.44Å; N20-F22 WeakPolarHBondContact OD1-CB 3.5Å; N20-F22 WeakPolarHBondContact OD1-CD2 3.45Å; N20-F22 PolarHBondContact OD1-N 2.99Å; N20-V23 HydrophobicContact CB-CG2 3.8Å; N20-V23 PolarHBondContact O-N 3.43Å; N20-A98 HydrophobicContact CB-CB 4.3Å
21P90.4Very high83.2Confident31 Ų3175.2 Ų75.220%0.20143%0.433CS..THydrogen-bonded Turntrans-77.5-10.7-172.235.1-36.7000112.3S19 V23 L68 Y101S19-P21 VanDerWaalsContact O-CD 3.32Å; S19-P21 WeakPolarHBondContact O-CD 3.34Å; S19-P21 VanDerWaalsContact O-N 3.17Å; P21-V23 VanDerWaalsContact C-N 3.35Å; P21-L68 HydrophobicContact CB-CD2 3.99Å; P21-L68 HydrophobicContact CG-CD2 4.1Å; P21-Y101 HydrophobicContact CB-CD1 3.98Å; P21-Y101 HydrophobicContact CB-CE1 3.92Å; P21-Y101 HydrophobicContact CG-CD1 3.42Å; P21-Y101 VanDerWaalsContact CG-CD1 3.42Å; P21-Y101 HydrophobicContact CG-CE1 3.9Å; P21-Y101 HydrophobicContact CG-CG 3.93Å
22F89.4Confident83.6Confident16 Ų1676.3 Ų76.37%0.0745%0.446CS..THydrogen-bonded Turntrans-86.6-5.3176.7-59-82.8000112.7N20 G24 Q25 V65 L68 R97 Y101N20-F22 PolarHBondContact O-N 3.44Å; N20-F22 WeakPolarHBondContact OD1-CB 3.5Å; N20-F22 WeakPolarHBondContact OD1-CD2 3.45Å; N20-F22 PolarHBondContact OD1-N 2.99Å; F22-G24 PolarHBondContact O-N 3.2Å; F22-Q25 PolarHBondContact O-N 3Å; F22-V65 HydrophobicContact CZ-CG2 4.1Å; F22-L68 HydrophobicContact CD1-CD2 3.78Å; F22-L68 HydrophobicContact CE1-CB 4.08Å; F22-L68 HydrophobicContact CE1-CD2 3.51Å; F22-L68 HydrophobicContact CE1-CG 4.43Å; F22-L68 HydrophobicContact CE2-CD2 4.3Å; F22-L68 HydrophobicContact CG-CD2 4.3Å; F22-L68 HydrophobicContact CZ-CD2 3.8Å; F22-R97 HydrophobicContact CD2-CG 4.15Å; F22-R97 HydrophobicContact CE2-CG 3.62Å; F22-R97 HydrophobicContact CZ-CG 3.87Å; F22-Y101 HydrophobicContact CE2-CG 4.38Å; F22-Y101 HydrophobicContact CZ-CD2 4.34Å; F22-Y101 HydrophobicContact CZ-CG 4.33Å
23V85.4Confident83.9Confident114 Ų11474 Ų7469%0.69143%0.434SS*.THydrogen-bonded Turntrans-73.3119176.5176.70000109.3N20 P21 Q25N20-V23 HydrophobicContact CB-CG2 3.8Å; N20-V23 PolarHBondContact O-N 3.43Å; P21-V23 VanDerWaalsContact C-N 3.35Å; V23-Q25 VanDerWaalsContact C-N 3.29Å
24G76.2Confident84.2Confident85 Ų8574.3 Ų74.388%0.87644%0.435SS*.THydrogen-bonded Turntrans81.52.7-179.600000114.8F22F22-G24 PolarHBondContact O-N 3.2Å
25Q72.3Confident84.7Confident78 Ų7877.8 Ų77.836%0.36444%0.437SS..  trans-81.8131.7164-79.1-90.8-36.200108.4F22 V23 D27 L68F22-Q25 PolarHBondContact O-N 3Å; V23-Q25 VanDerWaalsContact C-N 3.29Å; Q25-D27 PolarHBondContact O-N 3.43Å; Q25-L68 HydrophobicContact CG-CD1 3.84Å; Q25-L68 VanDerWaalsContact OE1-CD1 3.27Å
26D68.5Low85.1Confident125 Ų12581.5 Ų81.567%0.66845%0.454SS*.  trans-68.5129.5164.7-69.6-33.8000107.8L28D26-L28 HydrophobicContact CB-CB 4.2Å; D26-L28 HydrophobicContact CB-CD1 3.89Å; D26-L28 HydrophobicContact CB-CG 4.48Å; D26-L28 PolarHBondContact O-N 3.28Å
27D70Confident85.9Confident102 Ų10278.8 Ų78.855%0.54544%0.435SS..  trans-69.442.5173.1-75.6-34.1000111.3Q25 F29Q25-D27 PolarHBondContact O-N 3.43Å; D27-F29 PolarHBondContact O-N 2.92Å
28L75.1Confident86.5Confident98 Ų9875.6 Ų75.651%0.51342%0.415SS..  trans-87.9104179.3-104.1149.4000108.8D26 D30 K71D26-L28 HydrophobicContact CB-CB 4.2Å; D26-L28 HydrophobicContact CB-CD1 3.89Å; D26-L28 HydrophobicContact CB-CG 4.48Å; D26-L28 PolarHBondContact O-N 3.28Å; L28-D30 VanDerWaalsContact C-N 3.3Å; L28-D30 HydrophobicContact CD2-CB 4.29Å; L28-D30 PolarHBondContact O-N 3.47Å; L28-D30 VanDerWaalsContact O-N 3.13Å; L28-K71 PolarHBondContact O-NZ 3.29Å
29F85.9Confident86.9Confident64 Ų6473.4 Ų73.428%0.28142%0.418SS..  trans-79.374.6171-62-49000109.9D27 Q34 E63 T67D27-F29 PolarHBondContact O-N 2.92Å; F29-Q34 HydrophobicContact CB-CG 3.65Å; F29-E63 HydrophobicContact CD1-CG 3.93Å; F29-E63 HydrophobicContact CE1-CB 4.34Å; F29-E63 HydrophobicContact CE1-CG 3.85Å; F29-E63 HydrophobicContact CG-CG 4.45Å; F29-E63 HydrophobicContact CZ-CG 4.29Å; F29-T67 HydrophobicContact CD1-CG2 4.43Å
30D87.7Confident87.3Confident94 Ų9469.1 Ų69.150%0.50339%0.388SS..  trans-117.411.6-166.163.7-9.1000114.5L28 K71L28-D30 VanDerWaalsContact C-N 3.3Å; L28-D30 HydrophobicContact CD2-CB 4.29Å; L28-D30 PolarHBondContact O-N 3.47Å; L28-D30 VanDerWaalsContact O-N 3.13Å; D30-K71 WeakPolarHBondContact OD1-CE 3.18Å; D30-K71 IonicContact OD1-NZ 3.72Å; D30-K71 PolarHBondContact OD1-NZ 2.91Å; D30-K71 IonicContact OD2-NZ 3.59Å
31L92.2Very high87.5Confident31 Ų3165.5 Ų65.516%0.16237%0.369CS..  trans-69.9148.6175.4-65.2174.1000111.5E33 Q34 I37 T67 C70 K71L31-E33 PolarHBondContact O-N 3.39Å; L31-Q34 HydrophobicContact CB-CB 4.36Å; L31-Q34 WeakPolarHBondContact O-CB 3.4Å; L31-Q34 PolarHBondContact O-N 3.09Å; L31-Q34 VanDerWaalsContact O-N 3.09Å; L31-I37 HydrophobicContact CD1-CD1 3.98Å; L31-T67 HydrophobicContact CD1-CG2 3.88Å; L31-T67 HydrophobicContact CG-CG2 4.17Å; L31-C70 HydrophobicContact CD1-CB 3.57Å; L31-K71 HydrophobicContact CD2-CG 4.13Å
32P93.4Very high87.6Confident112 Ų11266 Ų6673%0.72737%0.374SS*.THydrogen-bonded Turntrans-53.7-40.7175.7-24.332.1000113.2
33E93Very high87.7Confident19 Ų1971.9 Ų71.99%0.08940%0.399CS..THydrogen-bonded Turntrans-92.613.9-17865.3-86.1-156.800113.8L31 H35 E36 I37 Q76 F77L31-E33 PolarHBondContact O-N 3.39Å; E33-H35 PolarHBondContact O-N 3.05Å; E33-E36 WeakPolarHBondContact O-CB 3.3Å; E33-E36 PolarHBondContact O-N 3.24Å; E33-I37 HydrophobicContact CG-CD1 4.41Å; E33-I37 PolarHBondContact O-N 2.84Å; E33-I37 VanDerWaalsContact O-N 3.12Å; E33-Q76 VanDerWaalsContact OE1-CA 3.28Å; E33-Q76 WeakPolarHBondContact OE1-CA 3.34Å; E33-F77 HydrophobicContact CG-CB 3.78Å; E33-F77 HydrophobicContact CG-CD1 4.43Å; E33-F77 PolarHBondContact OE1-N 3.46Å
34Q94.4Very high87.9Confident10 Ų1066.8 Ų66.85%0.04737%0.368CS..Hα-helixtrans-58.3-34.6-176.2-168.169.544.800113.7F29 L31 E36 I37 R38 E63 T67F29-Q34 HydrophobicContact CB-CG 3.65Å; L31-Q34 HydrophobicContact CB-CB 4.36Å; L31-Q34 WeakPolarHBondContact O-CB 3.4Å; L31-Q34 PolarHBondContact O-N 3.09Å; L31-Q34 VanDerWaalsContact O-N 3.09Å; Q34-E36 VanDerWaalsContact C-N 3.29Å; Q34-E36 PolarHBondContact O-N 3.15Å; Q34-I37 PolarHBondContact O-N 3.29Å; Q34-R38 PolarHBondContact O-N 2.99Å; Q34-E63 PolarHBondContact NE2-OE1 2.7Å; Q34-T67 PolarHBondContact NE2-OG1 3.47Å; Q34-T67 PolarHBondContact OE1-OG1 2.86Å
35H94.1Very high88.4Confident125 Ų12562.9 Ų62.958%0.57933%0.327SS*.Hα-helixtrans-63.8-35.5176.672.7-77000112.2E33 A39E33-H35 PolarHBondContact O-N 3.05Å; H35-A39 WeakPolarHBondContact O-CB 3.11Å; H35-A39 PolarHBondContact O-N 3.15Å
36E95.8Very high89Confident83 Ų8365.2 Ų65.239%0.38834%0.338SS..Hα-helixtrans-71-42.1175.4-56.6-175.9-162.700110.9E33 Q34 R38 A39 A40 F77E33-E36 WeakPolarHBondContact O-CB 3.3Å; E33-E36 PolarHBondContact O-N 3.24Å; Q34-E36 VanDerWaalsContact C-N 3.29Å; Q34-E36 PolarHBondContact O-N 3.15Å; E36-R38 VanDerWaalsContact C-N 3.35Å; E36-R38 PolarHBondContact O-N 2.87Å; E36-A39 PolarHBondContact O-N 3.46Å; E36-A40 WeakPolarHBondContact O-CB 3.33Å; E36-A40 PolarHBondContact O-N 2.81Å; E36-F77 HydrophobicContact CB-CD1 4.37Å; E36-F77 HydrophobicContact CB-CE1 4.13Å
37I96Very high89.5Confident0 Ų064.6 Ų64.60%034%0.335CS..Hα-helixtrans-56.1-51.5174.9-62.7172.7000109.7L31 E33 Q34 A39 A40 C41 E63 I66 F77L31-I37 HydrophobicContact CD1-CD1 3.98Å; E33-I37 HydrophobicContact CG-CD1 4.41Å; E33-I37 PolarHBondContact O-N 2.84Å; E33-I37 VanDerWaalsContact O-N 3.12Å; Q34-I37 PolarHBondContact O-N 3.29Å; I37-A39 PolarHBondContact O-N 3.03Å; I37-A40 PolarHBondContact O-N 3.12Å; I37-C41 PolarHBondContact O-N 2.88Å; I37-C41 PolarHBondContact O-SG 2.9Å; I37-E63 HydrophobicContact CG2-CB 4.5Å; I37-E63 HydrophobicContact CG2-CG 4.05Å; I37-I66 HydrophobicContact CD1-CG2 3.83Å; I37-I66 HydrophobicContact CG1-CG2 4.03Å; I37-I66 HydrophobicContact CG2-CB 3.95Å; I37-I66 HydrophobicContact CG2-CD1 3.97Å; I37-I66 HydrophobicContact CG2-CG2 3.93Å; I37-F77 HydrophobicContact CD1-CB 3.96Å; I37-F77 HydrophobicContact CD1-CG 4.19Å; I37-F77 HydrophobicContact CG1-CB 3.85Å; I37-F77 HydrophobicContact CG1-CD1 3.52Å; I37-F77 HydrophobicContact CG1-CD2 4.07Å; I37-F77 HydrophobicContact CG1-CE1 4.03Å; I37-F77 HydrophobicContact CG1-CG 3.53Å
38R94.3Very high89.8Confident114 Ų11462.4 Ų62.443%0.4332%0.323SS..Hα-helixtrans-61.1-46.2-179.8-172.7174.9-61.5145.910.9111.9Q34 E36 A40 C41 S42 E63Q34-R38 PolarHBondContact O-N 2.99Å; E36-R38 VanDerWaalsContact C-N 3.35Å; E36-R38 PolarHBondContact O-N 2.87Å; R38-A40 VanDerWaalsContact C-N 3.31Å; R38-A40 PolarHBondContact O-N 3.19Å; R38-C41 PolarHBondContact O-N 3.05Å; R38-S42 WeakPolarHBondContact O-CB 3.5Å; R38-S42 PolarHBondContact O-N 2.88Å; R38-S42 PolarHBondContact O-OG 2.83Å; R38-S42 VanDerWaalsContact O-OG 3.11Å; R38-E63 WeakPolarHBondContact CG-OE2 3.41Å; R38-E63 IonicContact CZ-OE1 2.72Å; R38-E63 IonicContact CZ-OE2 2.71Å; R38-E63 IonicContact NE-OE1 2.91Å; R38-E63 PolarHBondContact NE-OE1 3.48Å; R38-E63 VanDerWaalsContact NE-OE1 3.11Å; R38-E63 IonicContact NE-OE2 2.61Å; R38-E63 PolarHBondContact NE-OE2 3.36Å; R38-E63 IonicContact NH2-OE1 2.68Å; R38-E63 PolarHBondContact NH2-OE1 3.32Å; R38-E63 IonicContact NH2-OE2 2.8Å
39A94.7Very high89.5Confident63 Ų6360.5 Ų60.552%0.52133%0.327SS..Hα-helixtrans-60.2-42178.200000111.9H35 E36 I37 K43H35-A39 WeakPolarHBondContact O-CB 3.11Å; H35-A39 PolarHBondContact O-N 3.15Å; E36-A39 PolarHBondContact O-N 3.46Å; I37-A39 PolarHBondContact O-N 3.03Å; A39-K43 WeakPolarHBondContact O-CB 3.27Å; A39-K43 PolarHBondContact O-N 3.2Å
40A95.2Very high88.7Confident10 Ų1060 Ų608%0.08333%0.327CS..Hα-helixtrans-66.3-43.4178.100000112.4E36 I37 R38 K43 L44 F77 L79 I84E36-A40 WeakPolarHBondContact O-CB 3.33Å; E36-A40 PolarHBondContact O-N 2.81Å; I37-A40 PolarHBondContact O-N 3.12Å; R38-A40 VanDerWaalsContact C-N 3.31Å; R38-A40 PolarHBondContact O-N 3.19Å; A40-K43 PolarHBondContact O-N 2.77Å; A40-L44 PolarHBondContact O-N 3.11Å; A40-F77 HydrophobicContact CB-CZ 4.02Å; A40-L79 HydrophobicContact CB-CD2 3.84Å; A40-I84 HydrophobicContact CB-CD1 3.59Å; A40-I84 HydrophobicContact CB-CG1 3.88Å
41C94.3Very high87.4Confident1 Ų159.2 Ų59.21%0.00733%0.328CS..Hα-helixtrans-64.9-42.8177.5-64.80000112I37 R38 L44 C45 V59 L62I37-C41 PolarHBondContact O-N 2.88Å; I37-C41 PolarHBondContact O-SG 2.9Å; R38-C41 PolarHBondContact O-N 3.05Å; C41-L44 PolarHBondContact O-N 2.88Å; C41-C45 PolarHBondContact O-N 2.94Å; C41-C45 PolarHBondContact O-SG 3Å; C41-C45 VanDerWaalsContact O-SG 3.37Å; C41-V59 HydrophobicContact CB-CG1 4.07Å; C41-L62 HydrophobicContact CB-CB 4.1Å
42S92.2Very high86.2Confident43 Ų4363.2 Ų63.230%0.30135%0.349SS..Hα-helixtrans-59.9-47.7175.3-66.30000111.6R38 L44 C45 E46R38-S42 WeakPolarHBondContact O-CB 3.5Å; R38-S42 PolarHBondContact O-N 2.88Å; R38-S42 PolarHBondContact O-OG 2.83Å; R38-S42 VanDerWaalsContact O-OG 3.11Å; S42-L44 VanDerWaalsContact C-N 3.32Å; S42-L44 PolarHBondContact O-N 3.13Å; S42-C45 PolarHBondContact O-N 2.88Å; S42-C45 VanDerWaalsContact O-N 3.12Å; S42-E46 WeakPolarHBondContact O-CG 3.2Å; S42-E46 PolarHBondContact O-N 3.41Å
43K91.6Very high85Confident139 Ų13960.4 Ų60.460%0.60434%0.341SS*.Hα-helixtrans-61.1-40178-172.8-179.4-179.3-177.10112.4A39 A40 C45 E46 N47A39-K43 WeakPolarHBondContact O-CB 3.27Å; A39-K43 PolarHBondContact O-N 3.2Å; A40-K43 PolarHBondContact O-N 2.77Å; K43-C45 VanDerWaalsContact C-N 3.34Å; K43-E46 PolarHBondContact O-N 2.98Å; K43-N47 PolarHBondContact O-N 3.1Å; K43-N47 PolarHBondContact O-ND2 3.14Å
44L89.5Confident84.3Confident7 Ų764 Ų644%0.03736%0.361CS..Hα-helixtrans-61-44.1174.7179.6156.3000111A40 C41 S42 N47 L48 L62 I84 L87 Q88A40-L44 PolarHBondContact O-N 3.11Å; C41-L44 PolarHBondContact O-N 2.88Å; S42-L44 VanDerWaalsContact C-N 3.32Å; S42-L44 PolarHBondContact O-N 3.13Å; L44-N47 PolarHBondContact O-N 2.82Å; L44-L48 HydrophobicContact CD2-CD1 3.68Å; L44-L48 HydrophobicContact CD2-CG 4.39Å; L44-L48 PolarHBondContact O-N 3.04Å; L44-L62 HydrophobicContact CD2-CD1 3.67Å; L44-I84 HydrophobicContact CB-CG2 4.27Å; L44-I84 HydrophobicContact CD1-CG2 3.67Å; L44-I84 VanDerWaalsContact CD1-O 3.23Å; L44-I84 WeakPolarHBondContact CD1-O 3.2Å; L44-L87 HydrophobicContact CD1-CB 4.49Å; L44-Q88 HydrophobicContact CD1-CB 3.76Å; L44-Q88 HydrophobicContact CG-CB 4.25Å
45C87.1Confident83.7Confident2 Ų267 Ų671%0.01437%0.372CS..Hα-helixtrans-69.4-33.4-179.3-69.60000113.7C41 S42 K43 N47 L48 I58 V59C41-C45 PolarHBondContact O-N 2.94Å; C41-C45 PolarHBondContact O-SG 3Å; C41-C45 VanDerWaalsContact O-SG 3.37Å; S42-C45 PolarHBondContact O-N 2.88Å; S42-C45 VanDerWaalsContact O-N 3.12Å; K43-C45 VanDerWaalsContact C-N 3.34Å; C45-N47 VanDerWaalsContact C-N 3.25Å; C45-N47 PolarHBondContact O-N 3.38Å; C45-L48 PolarHBondContact O-N 3.24Å; C45-I58 VanDerWaalsContact SG-CG2 3.51Å; C45-V59 HydrophobicContact CB-CG2 3.72Å; C45-V59 WeakPolarHBondContact SG-CG2 3.4Å
46E84.7Confident83.3Confident127 Ų12767.5 Ų67.559%0.59338%0.378SS*.Hα-helixtrans-58.5-40173-74.2173.1-174.700111.4S42 K43 L48S42-E46 WeakPolarHBondContact O-CG 3.2Å; S42-E46 PolarHBondContact O-N 3.41Å; K43-E46 PolarHBondContact O-N 2.98Å; E46-L48 VanDerWaalsContact C-N 3.27Å; E46-L48 PolarHBondContact O-N 3.28Å
47N78.4Confident82.9Confident113 Ų11366.1 Ų66.160%0.60438%0.381SS*.Hα-helixtrans-70.8-19.1179.5-66.4-20.9000113.7K43 L44 C45K43-N47 PolarHBondContact O-N 3.1Å; K43-N47 PolarHBondContact O-ND2 3.14Å; L44-N47 PolarHBondContact O-N 2.82Å; C45-N47 VanDerWaalsContact C-N 3.25Å; C45-N47 PolarHBondContact O-N 3.38Å
48L76Confident82.6Confident56 Ų5668 Ų6829%0.29339%0.39SS..THydrogen-bonded Turntrans-83.7-12.3-177.8-68.4172.8000113.8L44 C45 E46 N50 V91L44-L48 HydrophobicContact CD2-CD1 3.68Å; L44-L48 HydrophobicContact CD2-CG 4.39Å; L44-L48 PolarHBondContact O-N 3.04Å; C45-L48 PolarHBondContact O-N 3.24Å; E46-L48 VanDerWaalsContact C-N 3.27Å; E46-L48 PolarHBondContact O-N 3.28Å; L48-N50 VanDerWaalsContact C-N 3.26Å; L48-N50 PolarHBondContact O-N 3.26Å; L48-V91 HydrophobicContact CD1-CB 4.37Å; L48-V91 HydrophobicContact CD1-CG1 3.56Å
49G70Confident82.5Confident58 Ų5863.4 Ų63.460%0.59838%0.375SS*.THydrogen-bonded Turntrans70.612175.700000116
50N68.9Low82.4Confident54 Ų5462.6 Ų62.629%0.28937%0.365SS..  trans-66.1163.1179.5-64.9-32.6000112.7L48 D54 R55 I58L48-N50 VanDerWaalsContact C-N 3.26Å; L48-N50 PolarHBondContact O-N 3.26Å; N50-D54 HydrophobicContact CB-CB 4.41Å; N50-R55 HydrophobicContact CB-CG 4.1Å; N50-R55 PolarHBondContact O-NE 2.98Å; N50-R55 PolarHBondContact O-NH2 3.48Å; N50-I58 VanDerWaalsContact ND2-CD1 3.26Å; N50-I58 WeakPolarHBondContact ND2-CD1 3.42Å
51C59.8Low82.3Confident76 Ų7664.3 Ų64.351%0.51437%0.373SS..  trans-70.4153.2173.9660000111.3G53 D54 R55C51-G53 VanDerWaalsContact C-N 3.26Å; C51-G53 PolarHBondContact O-N 2.77Å; C51-G53 VanDerWaalsContact O-N 3.14Å; C51-D54 PolarHBondContact O-N 2.84Å; C51-D54 VanDerWaalsContact O-N 3.1Å; C51-D54 PolarHBondContact SG-OD2 3.05Å; C51-R55 WeakPolarHBondContact O-CG 3.4Å; C51-R55 PolarHBondContact O-N 2.9Å
52D66.2Low82.3Confident115 Ų11564.3 Ų64.362%0.61537%0.373SS*.Hα-helixtrans-59-32.6-169-67.7-34.7000114.4R55 L56D52-R55 PolarHBondContact O-N 2.86Å; D52-R55 IonicContact OD1-CZ 2.8Å; D52-R55 IonicContact OD1-NH1 3.34Å; D52-R55 PolarHBondContact OD1-NH1 3.1Å; D52-L56 PolarHBondContact O-N 3.39Å
53G68.3Low82.4Confident54 Ų5462.6 Ų62.656%0.55736%0.36SS*.Hα-helixtrans-66.4-46.3175.600000112.9C51 R55 L56 A57C51-G53 VanDerWaalsContact C-N 3.26Å; C51-G53 PolarHBondContact O-N 2.77Å; C51-G53 VanDerWaalsContact O-N 3.14Å; G53-R55 VanDerWaalsContact C-N 3.29Å; G53-R55 PolarHBondContact O-N 2.96Å; G53-L56 PolarHBondContact O-N 3.08Å; G53-A57 PolarHBondContact O-N 3.27Å
54D79.6Confident82.6Confident94 Ų9456.2 Ų56.250%0.50333%0.333SS..Hα-helixtrans-67.8-32.7177.3-68.5-12000111.1N50 C51 L56 A57 I58N50-D54 HydrophobicContact CB-CB 4.41Å; C51-D54 PolarHBondContact O-N 2.84Å; C51-D54 VanDerWaalsContact O-N 3.1Å; C51-D54 PolarHBondContact SG-OD2 3.05Å; D54-L56 PolarHBondContact O-N 3.45Å; D54-A57 PolarHBondContact O-N 2.82Å; D54-I58 WeakPolarHBondContact O-CD1 3.44Å; D54-I58 WeakPolarHBondContact O-CG1 2.83Å; D54-I58 PolarHBondContact O-N 3.41Å
55R81.7Confident82.9Confident74 Ų7455.9 Ų55.928%0.27933%0.332SS..Hα-helixtrans-58.3-49.3176-72.5-179.2-172.6161.5-1.7111.9N50 C51 D52 G53 A57 I58 V59N50-R55 HydrophobicContact CB-CG 4.1Å; N50-R55 PolarHBondContact O-NE 2.98Å; N50-R55 PolarHBondContact O-NH2 3.48Å; C51-R55 WeakPolarHBondContact O-CG 3.4Å; C51-R55 PolarHBondContact O-N 2.9Å; D52-R55 PolarHBondContact O-N 2.86Å; D52-R55 IonicContact OD1-CZ 2.8Å; D52-R55 IonicContact OD1-NH1 3.34Å; D52-R55 PolarHBondContact OD1-NH1 3.1Å; G53-R55 VanDerWaalsContact C-N 3.29Å; G53-R55 PolarHBondContact O-N 2.96Å; R55-A57 VanDerWaalsContact C-N 3.32Å; R55-A57 PolarHBondContact O-N 3.48Å; R55-I58 PolarHBondContact O-N 2.84Å; R55-V59 WeakPolarHBondContact O-CB 3.46Å; R55-V59 VanDerWaalsContact O-CG2 3.26Å; R55-V59 WeakPolarHBondContact O-CG2 3.45Å; R55-V59 PolarHBondContact O-N 3.05Å
56L85.2Confident83.3Confident135 Ų13555.8 Ų55.871%0.70733%0.331SS*.Hα-helixtrans-61.8-41.3-178.7-77.4164.4000112.1D52 G53 D54 S60D52-L56 PolarHBondContact O-N 3.39Å; G53-L56 PolarHBondContact O-N 3.08Å; D54-L56 PolarHBondContact O-N 3.45Å; L56-S60 WeakPolarHBondContact O-CB 3.4Å; L56-S60 PolarHBondContact O-N 2.61Å
57A88.1Confident83.8Confident54 Ų5450 Ų5045%0.44630%0.304SS..Hα-helixtrans-63.6-46.8176.600000111.6G53 D54 R55 S60 D61G53-A57 PolarHBondContact O-N 3.27Å; D54-A57 PolarHBondContact O-N 2.82Å; R55-A57 VanDerWaalsContact C-N 3.32Å; R55-A57 PolarHBondContact O-N 3.48Å; A57-S60 PolarHBondContact O-N 3.44Å; A57-D61 PolarHBondContact O-N 2.85Å
58I89.3Confident84.6Confident38 Ų3845 Ų4520%0.19528%0.277CS..Hα-helixtrans-64.9-42.9179.2-63.4164.3000110.9C45 N50 D54 R55 S60 D61 L62 V91C45-I58 VanDerWaalsContact SG-CG2 3.51Å; N50-I58 VanDerWaalsContact ND2-CD1 3.26Å; N50-I58 WeakPolarHBondContact ND2-CD1 3.42Å; D54-I58 WeakPolarHBondContact O-CD1 3.44Å; D54-I58 WeakPolarHBondContact O-CG1 2.83Å; D54-I58 PolarHBondContact O-N 3.41Å; R55-I58 PolarHBondContact O-N 2.84Å; I58-S60 VanDerWaalsContact C-N 3.32Å; I58-S60 PolarHBondContact O-N 3.36Å; I58-D61 PolarHBondContact O-N 3.28Å; I58-L62 HydrophobicContact CG2-CD1 3.81Å; I58-L62 HydrophobicContact CG2-CG 4.16Å; I58-L62 WeakPolarHBondContact O-CB 3.35Å; I58-L62 WeakPolarHBondContact O-CG 3.43Å; I58-L62 PolarHBondContact O-N 3.32Å; I58-V91 HydrophobicContact CG2-CG1 4.29Å; I58-V91 HydrophobicContact CG2-CG2 4.39Å
59V92.1Very high85.5Confident18 Ų1842.8 Ų42.811%0.10927%0.265CS..Hα-helixtrans-58.9-45.7175.7171.90000110.5C41 C45 R55 D61 L62 E63C41-V59 HydrophobicContact CB-CG1 4.07Å; C45-V59 HydrophobicContact CB-CG2 3.72Å; C45-V59 WeakPolarHBondContact SG-CG2 3.4Å; R55-V59 WeakPolarHBondContact O-CB 3.46Å; R55-V59 VanDerWaalsContact O-CG2 3.26Å; R55-V59 WeakPolarHBondContact O-CG2 3.45Å; R55-V59 PolarHBondContact O-N 3.05Å; V59-D61 PolarHBondContact O-N 2.78Å; V59-L62 PolarHBondContact O-N 3.49Å; V59-E63 VanDerWaalsContact O-CB 3.25Å; V59-E63 WeakPolarHBondContact O-CB 3.44Å; V59-E63 PolarHBondContact O-N 2.94Å
60S92Very high86.6Confident46 Ų4640.1 Ų40.132%0.32224%0.237SC..Hα-helixtrans-62.6-42.5178.3-175.80000112.1L56 A57 I58 S64L56-S60 WeakPolarHBondContact O-CB 3.4Å; L56-S60 PolarHBondContact O-N 2.61Å; A57-S60 PolarHBondContact O-N 3.44Å; I58-S60 VanDerWaalsContact C-N 3.32Å; I58-S60 PolarHBondContact O-N 3.36Å; S60-S64 WeakPolarHBondContact O-CB 3.44Å; S60-S64 PolarHBondContact O-N 3.48Å; S60-S64 PolarHBondContact O-OG 3.4Å
61D92.8Very high87.8Confident47 Ų4741 Ų4125%0.25124%0.239SC..Hα-helixtrans-64.2-46.3177.3-76.3-1.1000111.2A57 I58 V59 S64 V65 R97A57-D61 PolarHBondContact O-N 2.85Å; I58-D61 PolarHBondContact O-N 3.28Å; V59-D61 PolarHBondContact O-N 2.78Å; D61-S64 PolarHBondContact O-N 3.38Å; D61-S64 PolarHBondContact O-OG 2.95Å; D61-V65 VanDerWaalsContact O-CG2 3.26Å; D61-V65 WeakPolarHBondContact O-CG2 3.45Å; D61-V65 PolarHBondContact O-N 2.86Å; D61-R97 HydrophobicContact CB-CB 4.41Å; D61-R97 HydrophobicContact CB-CG 4.25Å; D61-R97 VanDerWaalsContact OD1-CD 3.32Å; D61-R97 WeakPolarHBondContact OD1-CD 3.25Å; D61-R97 IonicContact OD1-NH1 3.73Å
62L94.9Very high89.3Confident1 Ų141 Ų411%0.00524%0.236CC..Hα-helixtrans-62.2-46.1176.9-70.1173.9000112.5C41 L44 I58 V59 S64 V65 I66 L87 V91 L100C41-L62 HydrophobicContact CB-CB 4.1Å; L44-L62 HydrophobicContact CD2-CD1 3.67Å; I58-L62 HydrophobicContact CG2-CD1 3.81Å; I58-L62 HydrophobicContact CG2-CG 4.16Å; I58-L62 WeakPolarHBondContact O-CB 3.35Å; I58-L62 WeakPolarHBondContact O-CG 3.43Å; I58-L62 PolarHBondContact O-N 3.32Å; V59-L62 PolarHBondContact O-N 3.49Å; L62-S64 VanDerWaalsContact C-N 3.31Å; L62-S64 PolarHBondContact O-N 2.95Å; L62-V65 PolarHBondContact O-N 2.86Å; L62-I66 WeakPolarHBondContact O-CG1 3.43Å; L62-I66 PolarHBondContact O-N 2.87Å; L62-L87 HydrophobicContact CD2-CB 3.86Å; L62-L87 HydrophobicContact CD2-CD1 4.1Å; L62-L87 HydrophobicContact CD2-CD2 3.91Å; L62-L87 HydrophobicContact CD2-CG 4.17Å; L62-V91 HydrophobicContact CD1-CG2 4.21Å; L62-V91 HydrophobicContact CD2-CG2 3.7Å; L62-V91 HydrophobicContact CG-CG2 4.31Å; L62-L100 HydrophobicContact CD2-CD2 4.14Å
63E94.6Very high90.5Very high6 Ų637.5 Ų37.53%0.02822%0.221CC..Hα-helixtrans-58.8-45.6177.5-174173.5177.600110.1F29 Q34 I37 R38 V59 V65 I66 T67F29-E63 HydrophobicContact CD1-CG 3.93Å; F29-E63 HydrophobicContact CE1-CB 4.34Å; F29-E63 HydrophobicContact CE1-CG 3.85Å; F29-E63 HydrophobicContact CG-CG 4.45Å; F29-E63 HydrophobicContact CZ-CG 4.29Å; Q34-E63 PolarHBondContact NE2-OE1 2.7Å; I37-E63 HydrophobicContact CG2-CB 4.5Å; I37-E63 HydrophobicContact CG2-CG 4.05Å; R38-E63 WeakPolarHBondContact CG-OE2 3.41Å; R38-E63 IonicContact CZ-OE1 2.72Å; R38-E63 IonicContact CZ-OE2 2.71Å; R38-E63 IonicContact NE-OE1 2.91Å; R38-E63 PolarHBondContact NE-OE1 3.48Å; R38-E63 VanDerWaalsContact NE-OE1 3.11Å; R38-E63 IonicContact NE-OE2 2.61Å; R38-E63 PolarHBondContact NE-OE2 3.36Å; R38-E63 IonicContact NH2-OE1 2.68Å; R38-E63 PolarHBondContact NH2-OE1 3.32Å; R38-E63 IonicContact NH2-OE2 2.8Å; V59-E63 VanDerWaalsContact O-CB 3.25Å; V59-E63 WeakPolarHBondContact O-CB 3.44Å; V59-E63 PolarHBondContact O-N 2.94Å; E63-V65 PolarHBondContact O-N 3.31Å; E63-I66 PolarHBondContact O-N 3.15Å; E63-T67 WeakPolarHBondContact O-CB 3.28Å; E63-T67 PolarHBondContact O-N 3.38Å; E63-T67 PolarHBondContact O-OG1 2.86Å
64S94.5Very high91.5Very high6 Ų642.2 Ų42.24%0.04223%0.233CC..Hα-helixtrans-64.9-38.2177.472.80000113.7S60 D61 L62 L68 R97S60-S64 WeakPolarHBondContact O-CB 3.44Å; S60-S64 PolarHBondContact O-N 3.48Å; S60-S64 PolarHBondContact O-OG 3.4Å; D61-S64 PolarHBondContact O-N 3.38Å; D61-S64 PolarHBondContact O-OG 2.95Å; L62-S64 VanDerWaalsContact C-N 3.31Å; L62-S64 PolarHBondContact O-N 2.95Å; S64-L68 WeakPolarHBondContact O-CB 3.3Å; S64-L68 PolarHBondContact O-N 3.48Å; S64-R97 VanDerWaalsContact OG-CD 3.3Å; S64-R97 WeakPolarHBondContact OG-CD 3.45Å
65V95.8Very high92.1Very high0 Ų040.2 Ų40.20%022%0.224CC..Hα-helixtrans-63.2-47.9177.41670000110.6F22 D61 L62 E63 F69 L87 L100 Y101 F104F22-V65 HydrophobicContact CZ-CG2 4.1Å; D61-V65 VanDerWaalsContact O-CG2 3.26Å; D61-V65 WeakPolarHBondContact O-CG2 3.45Å; D61-V65 PolarHBondContact O-N 2.86Å; L62-V65 PolarHBondContact O-N 2.86Å; E63-V65 PolarHBondContact O-N 3.31Å; V65-F69 WeakPolarHBondContact O-CB 3.31Å; V65-F69 PolarHBondContact O-N 3.05Å; V65-L87 HydrophobicContact CG1-CD2 4.11Å; V65-L100 HydrophobicContact CG2-CB 4.48Å; V65-L100 HydrophobicContact CG2-CD2 4.14Å; V65-L100 HydrophobicContact CG2-CG 4.14Å; V65-Y101 HydrophobicContact CG1-CD2 4.36Å; V65-F104 HydrophobicContact CG1-CB 4.11Å; V65-F104 HydrophobicContact CG1-CD1 3.74Å; V65-F104 HydrophobicContact CG1-CE1 4.38Å; V65-F104 HydrophobicContact CG1-CG 3.98Å
66I96.2Very high92.6Very high0 Ų043.9 Ų43.90%024%0.244CC..Hα-helixtrans-65.7-49.2179.2-63.7170.7000110.3I37 L62 E63 L68 F69 C70 F77 W83 I84 L87I37-I66 HydrophobicContact CD1-CG2 3.83Å; I37-I66 HydrophobicContact CG1-CG2 4.03Å; I37-I66 HydrophobicContact CG2-CB 3.95Å; I37-I66 HydrophobicContact CG2-CD1 3.97Å; I37-I66 HydrophobicContact CG2-CG2 3.93Å; L62-I66 WeakPolarHBondContact O-CG1 3.43Å; L62-I66 PolarHBondContact O-N 2.87Å; E63-I66 PolarHBondContact O-N 3.15Å; I66-L68 VanDerWaalsContact C-N 3.33Å; I66-L68 PolarHBondContact O-N 3.08Å; I66-F69 WeakPolarHBondContact O-CB 3.44Å; I66-F69 PolarHBondContact O-N 3.43Å; I66-F69 VanDerWaalsContact O-N 3.14Å; I66-C70 PolarHBondContact O-N 3.21Å; I66-C70 PolarHBondContact O-SG 3.36Å; I66-C70 VanDerWaalsContact O-SG 3.36Å; I66-F77 HydrophobicContact CD1-CE2 4.18Å; I66-F77 HydrophobicContact CG2-CB 4.35Å; I66-F77 HydrophobicContact CG2-CD2 3.64Å; I66-F77 HydrophobicContact CG2-CE2 4.3Å; I66-F77 HydrophobicContact CG2-CG 4.26Å; I66-W83 HydrophobicContact CG2-CE3 4.11Å; I66-W83 HydrophobicContact CG2-CZ3 4.3Å; I66-I84 HydrophobicContact CD1-CD1 3.68Å; I66-L87 HydrophobicContact CD1-CD1 3.62Å; I66-L87 HydrophobicContact CG1-CD1 3.53Å
67T95.3Very high93Very high6 Ų637.9 Ų37.94%0.03721%0.213CC..Hα-helixtrans-58.8-45.9-178.9-64.70000111.3F29 L31 Q34 E63 F69 C70 K71F29-T67 HydrophobicContact CD1-CG2 4.43Å; L31-T67 HydrophobicContact CD1-CG2 3.88Å; L31-T67 HydrophobicContact CG-CG2 4.17Å; Q34-T67 PolarHBondContact NE2-OG1 3.47Å; Q34-T67 PolarHBondContact OE1-OG1 2.86Å; E63-T67 WeakPolarHBondContact O-CB 3.28Å; E63-T67 PolarHBondContact O-N 3.38Å; E63-T67 PolarHBondContact O-OG1 2.86Å; T67-F69 VanDerWaalsContact C-N 3.33Å; T67-F69 PolarHBondContact O-N 3.41Å; T67-C70 PolarHBondContact O-N 3.47Å; T67-K71 HydrophobicContact CG2-CD 4.29Å; T67-K71 WeakPolarHBondContact O-CG 3.48Å; T67-K71 PolarHBondContact O-N 3.15Å
68L94.8Very high93.2Very high6 Ų636.9 Ų36.93%0.03120%0.202CC..Hα-helixtrans-63.9-39.7177.7-177.958.6000111.8P21 F22 Q25 S64 I66 K71 T72 Y101P21-L68 HydrophobicContact CB-CD2 3.99Å; P21-L68 HydrophobicContact CG-CD2 4.1Å; F22-L68 HydrophobicContact CD1-CD2 3.78Å; F22-L68 HydrophobicContact CE1-CB 4.08Å; F22-L68 HydrophobicContact CE1-CD2 3.51Å; F22-L68 HydrophobicContact CE1-CG 4.43Å; F22-L68 HydrophobicContact CE2-CD2 4.3Å; F22-L68 HydrophobicContact CG-CD2 4.3Å; F22-L68 HydrophobicContact CZ-CD2 3.8Å; Q25-L68 HydrophobicContact CG-CD1 3.84Å; Q25-L68 VanDerWaalsContact OE1-CD1 3.27Å; S64-L68 WeakPolarHBondContact O-CB 3.3Å; S64-L68 PolarHBondContact O-N 3.48Å; I66-L68 VanDerWaalsContact C-N 3.33Å; I66-L68 PolarHBondContact O-N 3.08Å; L68-K71 PolarHBondContact O-N 2.87Å; L68-T72 VanDerWaalsContact O-CB 3.28Å; L68-T72 WeakPolarHBondContact O-CB 3.45Å; L68-T72 PolarHBondContact O-N 2.86Å; L68-T72 PolarHBondContact O-OG1 3.46Å; L68-Y101 HydrophobicContact CB-CD2 4.18Å; L68-Y101 HydrophobicContact CB-CE2 3.82Å; L68-Y101 HydrophobicContact CD2-CD2 3.78Å; L68-Y101 HydrophobicContact CD2-CE1 4.32Å; L68-Y101 HydrophobicContact CD2-CE2 3.58Å; L68-Y101 HydrophobicContact CD2-CG 4.22Å; L68-Y101 HydrophobicContact CG-CD2 4.06Å; L68-Y101 HydrophobicContact CG-CE2 3.45Å; L68-Y101 VanDerWaalsContact CG-CE2 3.45Å
69F94.9Very high93.3Very high10 Ų1040.3 Ų40.34%0.04422%0.22CC..Hα-helixtrans-62.8-49176.5-179.7-98.6000111.8V65 I66 T67 K71 T72 C73 V75 W83 Y101 F104 F105 T108 T109V65-F69 WeakPolarHBondContact O-CB 3.31Å; V65-F69 PolarHBondContact O-N 3.05Å; I66-F69 WeakPolarHBondContact O-CB 3.44Å; I66-F69 PolarHBondContact O-N 3.43Å; I66-F69 VanDerWaalsContact O-N 3.14Å; T67-F69 VanDerWaalsContact C-N 3.33Å; T67-F69 PolarHBondContact O-N 3.41Å; F69-K71 VanDerWaalsContact C-N 3.33Å; F69-K71 PolarHBondContact O-N 3.34Å; F69-T72 PolarHBondContact O-N 3.33Å; F69-C73 VanDerWaalsContact CE2-SG 3.54Å; F69-C73 HydrophobicContact CZ-CB 4.34Å; F69-C73 WeakPolarHBondContact O-CB 3.38Å; F69-C73 PolarHBondContact O-N 3.48Å; F69-V75 HydrophobicContact CD1-CG2 4.14Å; F69-V75 HydrophobicContact CE1-CG2 3.85Å; F69-W83 HydrophobicContact CD1-CE3 4.35Å; F69-W83 AromaticContact CD1-CH2 3.87Å; F69-W83 HydrophobicContact CD1-CH2 3.87Å; F69-W83 HydrophobicContact CD1-CZ2 4.05Å; F69-W83 HydrophobicContact CD1-CZ3 4.02Å; F69-W83 AromaticContact CE1-CE2 3.9Å; F69-W83 AromaticContact CE1-CH2 3.76Å; F69-W83 HydrophobicContact CE1-CH2 3.76Å; F69-W83 AromaticContact CE1-CZ2 3.51Å; F69-W83 HydrophobicContact CE1-CZ2 3.51Å; F69-W83 HydrophobicContact CE1-CZ3 4.32Å; F69-Y101 HydrophobicContact CB-CE2 4.27Å; F69-F104 HydrophobicContact CB-CD1 4.27Å; F69-F104 HydrophobicContact CB-CE1 3.78Å; F69-F104 AromaticContact CD1-CE1 3.87Å; F69-F104 HydrophobicContact CD1-CE1 3.87Å; F69-F104 HydrophobicContact CD2-CD1 4.17Å; F69-F104 AromaticContact CD2-CE1 3.91Å; F69-F104 HydrophobicContact CD2-CE1 3.91Å; F69-F104 HydrophobicContact CE1-CE1 4.46Å; F69-F104 HydrophobicContact CG-CD1 4.19Å; F69-F104 AromaticContact CG-CE1 3.57Å; F69-F104 HydrophobicContact CG-CE1 3.57Å; F69-F105 HydrophobicContact CD2-CB 4.5Å; F69-F105 AromaticContact CD2-CD2 3.82Å; F69-F105 HydrophobicContact CD2-CD2 3.82Å; F69-F105 AromaticContact CE2-CD2 3.97Å; F69-F105 HydrophobicContact CE2-CD2 3.97Å; F69-F105 HydrophobicContact CE2-CE2 4.46Å; F69-T108 WeakPolarHBondContact CE2-OG1 3.3Å; F69-T108 HydrophobicContact CZ-CG2 4.46Å; F69-T108 WeakPolarHBondContact CZ-OG1 3.44Å; F69-T109 HydrophobicContact CE2-CG2 4.17Å
70C94.6Very high93.2Very high2 Ų245.2 Ų45.21%0.01424%0.242CC..Hα-helixtrans-54.9-47.8176.6-70.10000111.9L31 I66 T67 N74 V75 W83L31-C70 HydrophobicContact CD1-CB 3.57Å; I66-C70 PolarHBondContact O-N 3.21Å; I66-C70 PolarHBondContact O-SG 3.36Å; I66-C70 VanDerWaalsContact O-SG 3.36Å; T67-C70 PolarHBondContact O-N 3.47Å; C70-N74 VanDerWaalsContact O-CA 3.29Å; C70-N74 WeakPolarHBondContact O-CA 3.32Å; C70-N74 PolarHBondContact O-N 3.38Å; C70-V75 WeakPolarHBondContact CA-O 3.17Å; C70-V75 VanDerWaalsContact CB-O 3.28Å; C70-V75 WeakPolarHBondContact CB-O 3.35Å; C70-V75 PolarHBondContact O-N 3.49Å; C70-V75 VanDerWaalsContact O-N 3.11Å; C70-W83 VanDerWaalsContact SG-CZ3 3.56Å
71K93Very high93.2Very high73 Ų7343.2 Ų43.232%0.31723%0.228SC..Hα-helixtrans-62.8-44.4177.7-72.2-180176.9-176.40112.3L28 D30 L31 T67 L68 F69L28-K71 PolarHBondContact O-NZ 3.29Å; D30-K71 WeakPolarHBondContact OD1-CE 3.18Å; D30-K71 IonicContact OD1-NZ 3.72Å; D30-K71 PolarHBondContact OD1-NZ 2.91Å; D30-K71 IonicContact OD2-NZ 3.59Å; L31-K71 HydrophobicContact CD2-CG 4.13Å; T67-K71 HydrophobicContact CG2-CD 4.29Å; T67-K71 WeakPolarHBondContact O-CG 3.48Å; T67-K71 PolarHBondContact O-N 3.15Å; L68-K71 PolarHBondContact O-N 2.87Å; F69-K71 VanDerWaalsContact C-N 3.33Å; F69-K71 PolarHBondContact O-N 3.34Å
72T91.8Very high93.3Very high75 Ų7541 Ų4146%0.4622%0.216SC..Hα-helixtrans-69.5-43-175.5-56.50000112.1L68 F69 Y101 F105L68-T72 VanDerWaalsContact O-CB 3.28Å; L68-T72 WeakPolarHBondContact O-CB 3.45Å; L68-T72 PolarHBondContact O-N 2.86Å; L68-T72 PolarHBondContact O-OG1 3.46Å; F69-T72 PolarHBondContact O-N 3.33Å; T72-Y101 PolarHBondContact OG1-OH 3.45Å; T72-F105 HydrophobicContact CG2-CE2 4.08Å
73C90.8Very high93.3Very high42 Ų4242.2 Ų42.228%0.28422%0.221SC..Hα-helixtrans-91.2-5.2-177.1-67.50000113.4F69 V75F69-C73 VanDerWaalsContact CE2-SG 3.54Å; F69-C73 HydrophobicContact CZ-CB 4.34Å; F69-C73 WeakPolarHBondContact O-CB 3.38Å; F69-C73 PolarHBondContact O-N 3.48Å; C73-V75 HydrophobicContact CB-CG1 4.22Å; C73-V75 HydrophobicContact CB-CG2 3.9Å
74N90.5Very high93.3Very high154 Ų15443.1 Ų43.182%0.82423%0.225SC*.THydrogen-bonded Turntrans52.851.4-173.6-167.939.6000112.2C70C70-N74 VanDerWaalsContact O-CA 3.29Å; C70-N74 WeakPolarHBondContact O-CA 3.32Å; C70-N74 PolarHBondContact O-N 3.38Å
75V91.1Very high93.2Very high51 Ų5144.9 Ų44.931%0.30924%0.235SC..  trans-124.8154.7-179.9-65.90000110.5F69 C70 C73 W83F69-V75 HydrophobicContact CD1-CG2 4.14Å; F69-V75 HydrophobicContact CE1-CG2 3.85Å; C70-V75 WeakPolarHBondContact CA-O 3.17Å; C70-V75 VanDerWaalsContact CB-O 3.28Å; C70-V75 WeakPolarHBondContact CB-O 3.35Å; C70-V75 PolarHBondContact O-N 3.49Å; C70-V75 VanDerWaalsContact O-N 3.11Å; C73-V75 HydrophobicContact CB-CG1 4.22Å; C73-V75 HydrophobicContact CB-CG2 3.9Å; V75-W83 HydrophobicContact CB-CH2 4.46Å; V75-W83 HydrophobicContact CG2-CH2 3.68Å; V75-W83 HydrophobicContact CG2-CZ2 4.18Å
76Q92.2Very high93.2Very high151 Ų15144.9 Ų44.971%0.70624%0.235SC*.  trans-94.8143.3177.1-70.5-179.4-25.700111.4E33E33-Q76 VanDerWaalsContact OE1-CA 3.28Å; E33-Q76 WeakPolarHBondContact OE1-CA 3.34Å
77F94.6Very high93.1Very high9 Ų945 Ų454%0.03924%0.235CC..  trans-75.1140.5171.7171-92.9000110.8E33 E36 I37 A40 I66 L79 W83 I84E33-F77 HydrophobicContact CG-CB 3.78Å; E33-F77 HydrophobicContact CG-CD1 4.43Å; E33-F77 PolarHBondContact OE1-N 3.46Å; E36-F77 HydrophobicContact CB-CD1 4.37Å; E36-F77 HydrophobicContact CB-CE1 4.13Å; I37-F77 HydrophobicContact CD1-CB 3.96Å; I37-F77 HydrophobicContact CD1-CG 4.19Å; I37-F77 HydrophobicContact CG1-CB 3.85Å; I37-F77 HydrophobicContact CG1-CD1 3.52Å; I37-F77 HydrophobicContact CG1-CD2 4.07Å; I37-F77 HydrophobicContact CG1-CE1 4.03Å; I37-F77 HydrophobicContact CG1-CG 3.53Å; A40-F77 HydrophobicContact CB-CZ 4.02Å; I66-F77 HydrophobicContact CD1-CE2 4.18Å; I66-F77 HydrophobicContact CG2-CB 4.35Å; I66-F77 HydrophobicContact CG2-CD2 3.64Å; I66-F77 HydrophobicContact CG2-CE2 4.3Å; I66-F77 HydrophobicContact CG2-CG 4.26Å; F77-L79 HydrophobicContact CE1-CD2 4.35Å; F77-L79 HydrophobicContact CZ-CD2 4.1Å; F77-W83 HydrophobicContact CB-CZ3 4.12Å; F77-W83 AromaticContact CD2-CE3 3.81Å; F77-W83 HydrophobicContact CD2-CE3 3.81Å; F77-W83 HydrophobicContact CD2-CZ3 4.06Å; F77-I84 HydrophobicContact CE2-CD1 3.87Å; F77-I84 HydrophobicContact CE2-CG1 3.98Å; F77-I84 HydrophobicContact CZ-CD1 3.98Å; F77-I84 HydrophobicContact CZ-CG1 3.97Å
78C92.5Very high92.9Very high34 Ų3448.1 Ų48.123%0.2325%0.249CC..  trans-149.1139.7172.6179.60000108.7E80 N81 W117C78-E80 PolarHBondContact O-N 3.49Å; C78-N81 PolarHBondContact N-ND2 3.41Å; C78-N81 WeakPolarHBondContact O-CB 3.37Å; C78-N81 PolarHBondContact O-N 2.87Å; C78-N81 PolarHBondContact O-ND2 2.98Å; C78-N81 VanDerWaalsContact O-ND2 3.07Å; C78-N81 PolarHBondContact O-OD1 3.49Å; C78-W117 HydrophobicContact CB-CH2 4.11Å; C78-W117 HydrophobicContact CB-CZ2 4.29Å; C78-W117 HydrophobicContact CB-CZ3 4.44Å
79L90.1Very high92.8Very high110 Ų11048 Ų4858%0.57625%0.249SC*.G310 helixtrans-56.8-27178-70.2170.9000113.5A40 F77 N81A40-L79 HydrophobicContact CB-CD2 3.84Å; F77-L79 HydrophobicContact CE1-CD2 4.35Å; F77-L79 HydrophobicContact CZ-CD2 4.1Å; L79-N81 VanDerWaalsContact C-N 3.29Å; L79-N81 PolarHBondContact O-N 3.35Å
80E90.8Very high92.6Very high121 Ų12147.5 Ų47.557%0.56525%0.246SC*.G310 helixtrans-79.5-7.3179.3-60.3-167.217100114C78 G82 W117 N157C78-E80 PolarHBondContact O-N 3.49Å; E80-G82 PolarHBondContact O-N 3.47Å; E80-W117 HydrophobicContact CB-CE3 4.07Å; E80-W117 WeakPolarHBondContact O-CB 3.48Å; E80-N157 PolarHBondContact O-ND2 2.91Å
81N92.2Very high92.3Very high4 Ų448.6 Ų48.62%0.02125%0.253CS..G310 helixtrans-74.9-9.2-179.170.516.6000114.1C78 L79 W83 W117C78-N81 PolarHBondContact N-ND2 3.41Å; C78-N81 WeakPolarHBondContact O-CB 3.37Å; C78-N81 PolarHBondContact O-N 2.87Å; C78-N81 PolarHBondContact O-ND2 2.98Å; C78-N81 VanDerWaalsContact O-ND2 3.07Å; C78-N81 PolarHBondContact O-OD1 3.49Å; L79-N81 VanDerWaalsContact C-N 3.29Å; L79-N81 PolarHBondContact O-N 3.35Å; N81-W83 VanDerWaalsContact C-N 3.3Å; N81-W83 HydrophobicContact CB-CD2 4.35Å; N81-W83 HydrophobicContact CB-CG 4.44Å; N81-W83 HydrophobicContact CB-CZ2 4.37Å; N81-W83 VanDerWaalsContact CG-CG 3.49Å; N81-W83 VanDerWaalsContact ND2-CE2 3.26Å; N81-W83 WeakPolarHBondContact ND2-CH2 3.48Å; N81-W83 WeakPolarHBondContact ND2-CZ2 3.33Å; N81-W83 WeakPolarHBondContact ND2-CZ3 3.49Å; N81-W83 PolarHBondContact O-N 3.15Å; N81-W83 VanDerWaalsContact OD1-CB 3.29Å; N81-W83 WeakPolarHBondContact OD1-CB 3.47Å; N81-W83 PolarHBondContact OD1-N 3.36Å; N81-W117 HydrophobicContact CB-CG 4.33Å
82G93.4Very high92.1Very high1 Ų146.8 Ų46.81%0.0125%0.251CS..SBendtrans78.62.3177.200000115.3E80 I84 D85 L86E80-G82 PolarHBondContact O-N 3.47Å; G82-I84 VanDerWaalsContact C-N 3.33Å; G82-I84 PolarHBondContact O-N 3.22Å; G82-D85 PolarHBondContact O-N 3.28Å; G82-L86 PolarHBondContact O-N 3.5Å
83W95Very high91.8Very high25 Ų2543.6 Ų43.610%0.09523%0.232CC..Hα-helixtrans-67.6-32.8-175.3-63.3-7.4000113.3I66 F69 C70 V75 F77 N81 L86 L87 F104I66-W83 HydrophobicContact CG2-CE3 4.11Å; I66-W83 HydrophobicContact CG2-CZ3 4.3Å; F69-W83 HydrophobicContact CD1-CE3 4.35Å; F69-W83 AromaticContact CD1-CH2 3.87Å; F69-W83 HydrophobicContact CD1-CH2 3.87Å; F69-W83 HydrophobicContact CD1-CZ2 4.05Å; F69-W83 HydrophobicContact CD1-CZ3 4.02Å; F69-W83 AromaticContact CE1-CE2 3.9Å; F69-W83 AromaticContact CE1-CH2 3.76Å; F69-W83 HydrophobicContact CE1-CH2 3.76Å; F69-W83 AromaticContact CE1-CZ2 3.51Å; F69-W83 HydrophobicContact CE1-CZ2 3.51Å; F69-W83 HydrophobicContact CE1-CZ3 4.32Å; C70-W83 VanDerWaalsContact SG-CZ3 3.56Å; V75-W83 HydrophobicContact CB-CH2 4.46Å; V75-W83 HydrophobicContact CG2-CH2 3.68Å; V75-W83 HydrophobicContact CG2-CZ2 4.18Å; F77-W83 HydrophobicContact CB-CZ3 4.12Å; F77-W83 AromaticContact CD2-CE3 3.81Å; F77-W83 HydrophobicContact CD2-CE3 3.81Å; F77-W83 HydrophobicContact CD2-CZ3 4.06Å; N81-W83 VanDerWaalsContact C-N 3.3Å; N81-W83 HydrophobicContact CB-CD2 4.35Å; N81-W83 HydrophobicContact CB-CG 4.44Å; N81-W83 HydrophobicContact CB-CZ2 4.37Å; N81-W83 VanDerWaalsContact CG-CG 3.49Å; N81-W83 VanDerWaalsContact ND2-CE2 3.26Å; N81-W83 WeakPolarHBondContact ND2-CH2 3.48Å; N81-W83 WeakPolarHBondContact ND2-CZ2 3.33Å; N81-W83 WeakPolarHBondContact ND2-CZ3 3.49Å; N81-W83 PolarHBondContact O-N 3.15Å; N81-W83 VanDerWaalsContact OD1-CB 3.29Å; N81-W83 WeakPolarHBondContact OD1-CB 3.47Å; N81-W83 PolarHBondContact OD1-N 3.36Å; W83-L86 PolarHBondContact O-N 3.19Å; W83-L87 WeakPolarHBondContact O-CB 3.34Å; W83-L87 VanDerWaalsContact O-CG 3.26Å; W83-L87 WeakPolarHBondContact O-CG 3.38Å; W83-L87 PolarHBondContact O-N 3.4Å; W83-F104 HydrophobicContact CB-CE2 3.84Å; W83-F104 HydrophobicContact CB-CZ 3.73Å; W83-F104 AromaticContact CD2-CZ 3.89Å; W83-F104 HydrophobicContact CD2-CZ 3.89Å; W83-F104 HydrophobicContact CE3-CZ 4.28Å; W83-F104 HydrophobicContact CG-CE2 4.05Å; W83-F104 AromaticContact CG-CZ 3.62Å; W83-F104 HydrophobicContact CG-CZ 3.62Å
84I95.2Very high91.6Very high25 Ų2552.6 Ų52.613%0.12826%0.26CS..Hα-helixtrans-66.5-44.7177.1-59.4-62.7000110.2A40 L44 I66 F77 G82 L86 L87 Q88A40-I84 HydrophobicContact CB-CD1 3.59Å; A40-I84 HydrophobicContact CB-CG1 3.88Å; L44-I84 HydrophobicContact CB-CG2 4.27Å; L44-I84 HydrophobicContact CD1-CG2 3.67Å; L44-I84 VanDerWaalsContact CD1-O 3.23Å; L44-I84 WeakPolarHBondContact CD1-O 3.2Å; I66-I84 HydrophobicContact CD1-CD1 3.68Å; F77-I84 HydrophobicContact CE2-CD1 3.87Å; F77-I84 HydrophobicContact CE2-CG1 3.98Å; F77-I84 HydrophobicContact CZ-CD1 3.98Å; F77-I84 HydrophobicContact CZ-CG1 3.97Å; G82-I84 VanDerWaalsContact C-N 3.33Å; G82-I84 PolarHBondContact O-N 3.22Å; I84-L86 VanDerWaalsContact C-N 3.31Å; I84-L86 PolarHBondContact O-N 3.5Å; I84-L87 PolarHBondContact O-N 3.4Å; I84-Q88 PolarHBondContact O-N 3.17Å
85D93.5Very high91.6Very high44 Ų4446.1 Ų46.124%0.23523%0.225CC..Hα-helixtrans-64.3-38.1177.1-56.5-57.6000111.3G82 Q88 L89 S161G82-D85 PolarHBondContact O-N 3.28Å; D85-Q88 WeakPolarHBondContact O-CB 3.33Å; D85-Q88 PolarHBondContact O-N 3Å; D85-L89 PolarHBondContact O-N 3.2Å; D85-S161 PolarHBondContact O-OG 2.7Å
86L94.7Very high91.6Very high0 Ų047.4 Ų47.40%023%0.234CC..Hα-helixtrans-65.7-45.2174.6-174.964.3000111.2G82 W83 I84 Q88 L89 L90 F104 L107 T108 I112 L159G82-L86 PolarHBondContact O-N 3.5Å; W83-L86 PolarHBondContact O-N 3.19Å; I84-L86 VanDerWaalsContact C-N 3.31Å; I84-L86 PolarHBondContact O-N 3.5Å; L86-Q88 VanDerWaalsContact C-N 3.28Å; L86-Q88 PolarHBondContact O-N 3.34Å; L86-L89 VanDerWaalsContact O-CB 3.31Å; L86-L89 WeakPolarHBondContact O-CB 3.13Å; L86-L89 PolarHBondContact O-N 2.72Å; L86-L89 VanDerWaalsContact O-N 3.17Å; L86-L90 HydrophobicContact CG-CD1 4.43Å; L86-L90 WeakPolarHBondContact O-CG 3.46Å; L86-L90 PolarHBondContact O-N 2.9Å; L86-L90 VanDerWaalsContact O-N 3.08Å; L86-F104 HydrophobicContact CD2-CD2 3.92Å; L86-F104 HydrophobicContact CD2-CE2 4.03Å; L86-F104 HydrophobicContact CG-CD2 4.47Å; L86-L107 HydrophobicContact CD1-CD1 4.11Å; L86-L107 HydrophobicContact CD2-CB 4.09Å; L86-T108 HydrophobicContact CD2-CG2 3.84Å; L86-I112 HydrophobicContact CD2-CD1 3.81Å; L86-L159 HydrophobicContact CD1-CD1 4.14Å; L86-L159 HydrophobicContact CD1-CG 4.5Å
87L94.6Very high91.6Very high1 Ų143.5 Ų43.51%0.00521%0.213CC..Hα-helixtrans-65.1-32.6177.8-75.2166.6000112.1L44 L62 V65 I66 W83 I84 L89 L90 V91 L100 F104L44-L87 HydrophobicContact CD1-CB 4.49Å; L62-L87 HydrophobicContact CD2-CB 3.86Å; L62-L87 HydrophobicContact CD2-CD1 4.1Å; L62-L87 HydrophobicContact CD2-CD2 3.91Å; L62-L87 HydrophobicContact CD2-CG 4.17Å; V65-L87 HydrophobicContact CG1-CD2 4.11Å; I66-L87 HydrophobicContact CD1-CD1 3.62Å; I66-L87 HydrophobicContact CG1-CD1 3.53Å; W83-L87 WeakPolarHBondContact O-CB 3.34Å; W83-L87 VanDerWaalsContact O-CG 3.26Å; W83-L87 WeakPolarHBondContact O-CG 3.38Å; W83-L87 PolarHBondContact O-N 3.4Å; I84-L87 PolarHBondContact O-N 3.4Å; L87-L89 VanDerWaalsContact C-N 3.27Å; L87-L89 PolarHBondContact O-N 3.28Å; L87-L90 HydrophobicContact CD2-CD1 4.47Å; L87-L90 PolarHBondContact O-N 3.48Å; L87-L90 VanDerWaalsContact O-N 3.14Å; L87-V91 VanDerWaalsContact O-CG2 3.25Å; L87-V91 WeakPolarHBondContact O-CG2 3.43Å; L87-V91 PolarHBondContact O-N 2.88Å; L87-L100 HydrophobicContact CD2-CD1 4.16Å; L87-L100 HydrophobicContact CD2-CG 4.38Å; L87-F104 HydrophobicContact CD1-CD2 4.48Å; L87-F104 HydrophobicContact CD1-CE2 4.17Å; L87-F104 HydrophobicContact CD2-CB 4.38Å; L87-F104 HydrophobicContact CD2-CD2 3.68Å; L87-F104 HydrophobicContact CD2-CE2 4.2Å; L87-F104 HydrophobicContact CD2-CG 4.11Å; L87-F104 HydrophobicContact CG-CD2 3.85Å; L87-F104 HydrophobicContact CG-CE2 3.89Å
88Q91Very high91.6Very high73 Ų7344.1 Ų44.134%0.34122%0.22SC..Hα-helixtrans-58.4-42.8173.4-173.5177.4-1.200111.3L44 I84 D85 L86L44-Q88 HydrophobicContact CD1-CB 3.76Å; L44-Q88 HydrophobicContact CG-CB 4.25Å; I84-Q88 PolarHBondContact O-N 3.17Å; D85-Q88 WeakPolarHBondContact O-CB 3.33Å; D85-Q88 PolarHBondContact O-N 3Å; L86-Q88 VanDerWaalsContact C-N 3.28Å; L86-Q88 PolarHBondContact O-N 3.34Å
89L91.4Very high91.6Very high3 Ų345.7 Ų45.72%0.01622%0.224CC..Hα-helixtrans-62.4-44.9173.9-17466.6000111.4D85 L86 L87 A92 L166 A169 L170 L173D85-L89 PolarHBondContact O-N 3.2Å; L86-L89 VanDerWaalsContact O-CB 3.31Å; L86-L89 WeakPolarHBondContact O-CB 3.13Å; L86-L89 PolarHBondContact O-N 2.72Å; L86-L89 VanDerWaalsContact O-N 3.17Å; L87-L89 VanDerWaalsContact C-N 3.27Å; L87-L89 PolarHBondContact O-N 3.28Å; L89-A92 WeakPolarHBondContact O-CB 3.48Å; L89-A92 PolarHBondContact O-N 3.1Å; L89-L166 HydrophobicContact CD1-CD1 3.72Å; L89-A169 HydrophobicContact CD1-CB 3.73Å; L89-L170 HydrophobicContact CD1-CB 4.46Å; L89-L170 HydrophobicContact CD1-CD2 3.5Å; L89-L170 VanDerWaalsContact CD1-CD2 3.5Å; L89-L170 HydrophobicContact CD1-CG 3.61Å; L89-L170 HydrophobicContact CG-CD2 3.97Å; L89-L173 HydrophobicContact CD2-CB 4.35Å; L89-L173 HydrophobicContact CD2-CD2 3.7Å; L89-L173 HydrophobicContact CG-CD2 4.47Å
90L91.8Very high91.8Very high0 Ų040.9 Ų40.90%020%0.199CC..Hα-helixtrans-73.2-30.2-175.9-62.5-178.3000113.9M9 L86 L87 A92 L93 L100 V103 F104 L107M9-L90 HydrophobicContact CE-CD2 4.32Å; M9-L90 HydrophobicContact SD-CD2 4.34Å; L86-L90 HydrophobicContact CG-CD1 4.43Å; L86-L90 WeakPolarHBondContact O-CG 3.46Å; L86-L90 PolarHBondContact O-N 2.9Å; L86-L90 VanDerWaalsContact O-N 3.08Å; L87-L90 HydrophobicContact CD2-CD1 4.47Å; L87-L90 PolarHBondContact O-N 3.48Å; L87-L90 VanDerWaalsContact O-N 3.14Å; L90-A92 PolarHBondContact O-N 3.36Å; L90-L93 HydrophobicContact CD2-CD1 4.02Å; L90-L93 WeakPolarHBondContact O-CB 3.28Å; L90-L93 PolarHBondContact O-N 3.25Å; L90-L93 VanDerWaalsContact O-N 3.08Å; L90-L100 HydrophobicContact CB-CD1 3.5Å; L90-L100 HydrophobicContact CD1-CD1 4.08Å; L90-L100 HydrophobicContact CG-CD1 4.44Å; L90-V103 HydrophobicContact CD1-CG1 3.92Å; L90-V103 HydrophobicContact CD2-CG1 3.64Å; L90-V103 HydrophobicContact CG-CG1 4.41Å; L90-F104 HydrophobicContact CD1-CB 4.04Å; L90-F104 HydrophobicContact CD1-CD2 4.39Å; L90-L107 HydrophobicContact CD1-CD1 4.24Å; L90-L107 HydrophobicContact CD2-CD1 3.91Å
91V89.3Confident92Very high24 Ų2435.7 Ų35.715%0.14517%0.174CC..Hα-helixtrans-63.4-32.7175.5170.10000110.9L48 I58 L62 L87 L93 R94L48-V91 HydrophobicContact CD1-CB 4.37Å; L48-V91 HydrophobicContact CD1-CG1 3.56Å; I58-V91 HydrophobicContact CG2-CG1 4.29Å; I58-V91 HydrophobicContact CG2-CG2 4.39Å; L62-V91 HydrophobicContact CD1-CG2 4.21Å; L62-V91 HydrophobicContact CD2-CG2 3.7Å; L62-V91 HydrophobicContact CG-CG2 4.31Å; L87-V91 VanDerWaalsContact O-CG2 3.25Å; L87-V91 WeakPolarHBondContact O-CG2 3.43Å; L87-V91 PolarHBondContact O-N 2.88Å; V91-L93 PolarHBondContact O-N 3.38Å; V91-L93 VanDerWaalsContact O-N 3.15Å; V91-R94 PolarHBondContact O-N 3.39Å
92A86.9Confident92.1Very high35 Ų3536.2 Ų36.229%0.28918%0.176SC..THydrogen-bonded Turntrans-60.9-23.6175.400000113L89 L90 R94 L166L89-A92 WeakPolarHBondContact O-CB 3.48Å; L89-A92 PolarHBondContact O-N 3.1Å; L90-A92 PolarHBondContact O-N 3.36Å; A92-R94 VanDerWaalsContact C-N 3.31Å; A92-L166 HydrophobicContact CB-CD1 4.11Å; A92-L166 HydrophobicContact CB-CD2 4.04Å
93L86.6Confident92.2Very high9 Ų936.2 Ų36.25%0.04718%0.176CC..THydrogen-bonded Turntrans-81.5-7.2178.6-59.2176000113.8V5 T6 M9 L90 V91 L95 L170V5-L93 HydrophobicContact CG1-CD2 4.19Å; T6-L93 HydrophobicContact CG2-CB 4.34Å; T6-L93 PolarHBondContact OG1-O 3.12Å; M9-L93 HydrophobicContact CE-CD1 3.3Å; M9-L93 HydrophobicContact SD-CD1 3.64Å; L90-L93 HydrophobicContact CD2-CD1 4.02Å; L90-L93 WeakPolarHBondContact O-CB 3.28Å; L90-L93 PolarHBondContact O-N 3.25Å; L90-L93 VanDerWaalsContact O-N 3.08Å; V91-L93 PolarHBondContact O-N 3.38Å; V91-L93 VanDerWaalsContact O-N 3.15Å; L93-L95 VanDerWaalsContact C-N 3.29Å; L93-L95 HydrophobicContact CB-CD1 4.37Å; L93-L95 HydrophobicContact CB-CG 4.1Å; L93-L95 PolarHBondContact O-N 3.16Å; L93-L170 HydrophobicContact CD2-CD2 3.78Å; L93-L170 HydrophobicContact CG-CD2 4.19Å
94R87.3Confident92.3Very high230 Ų23035 Ų3587%0.86817%0.171SC*.THydrogen-bonded Turntrans52.543.3178.6-59-174.5178179.3-1.5113.6V91 A92V91-R94 PolarHBondContact O-N 3.39Å; A92-R94 VanDerWaalsContact C-N 3.31Å
95L88.9Confident92.2Very high18 Ų1836.3 Ų36.39%0.09418%0.176CC..  trans-72.1141.1177.8-69.7169.9000111.5T6 M9 I10 L93 Q99 L100 V103T6-L95 HydrophobicContact CG2-CD2 3.25Å; T6-L95 HydrophobicContact CG2-CG 4.08Å; M9-L95 HydrophobicContact CE-CD1 3.9Å; I10-L95 HydrophobicContact CD1-CD2 3.82Å; I10-L95 HydrophobicContact CG1-CD2 4.35Å; L93-L95 VanDerWaalsContact C-N 3.29Å; L93-L95 HydrophobicContact CB-CD1 4.37Å; L93-L95 HydrophobicContact CB-CG 4.1Å; L93-L95 PolarHBondContact O-N 3.16Å; L95-Q99 HydrophobicContact CB-CB 4.39Å; L95-Q99 HydrophobicContact CD2-CB 4.17Å; L95-L100 HydrophobicContact CB-CB 4.12Å; L95-L100 HydrophobicContact CD1-CD1 4.39Å; L95-V103 HydrophobicContact CD1-CB 4.24Å; L95-V103 HydrophobicContact CD1-CG1 4.41Å; L95-V103 HydrophobicContact CD1-CG2 3.97Å
96P91.5Very high92.3Very high78 Ų7834.3 Ų34.351%0.50617%0.166SC..  trans-57.6146.1164.3-20.130.7000111.1A98 Q99 L100P96-A98 VanDerWaalsContact C-N 3.27Å; P96-A98 PolarHBondContact O-N 2.86Å; P96-Q99 WeakPolarHBondContact O-CA 3.47Å; P96-Q99 PolarHBondContact O-N 2.8Å; P96-L100 PolarHBondContact O-N 2.99Å
97R93.2Very high92.3Very high70 Ų7034.3 Ų34.326%0.26417%0.166SC..Hα-helixtrans-42.8-47.2-178.1-178.1173.268.9-174.119.7114.8F22 D61 S64 L100 Y101F22-R97 HydrophobicContact CD2-CG 4.15Å; F22-R97 HydrophobicContact CE2-CG 3.62Å; F22-R97 HydrophobicContact CZ-CG 3.87Å; D61-R97 HydrophobicContact CB-CB 4.41Å; D61-R97 HydrophobicContact CB-CG 4.25Å; D61-R97 VanDerWaalsContact OD1-CD 3.32Å; D61-R97 WeakPolarHBondContact OD1-CD 3.25Å; D61-R97 IonicContact OD1-NH1 3.73Å; S64-R97 VanDerWaalsContact OG-CD 3.3Å; S64-R97 WeakPolarHBondContact OG-CD 3.45Å; R97-L100 PolarHBondContact O-N 3.41Å; R97-Y101 PolarHBondContact O-N 2.88Å
98A92.9Very high92.3Very high21 Ų2135 Ų3517%0.17417%0.17CC..Hα-helixtrans-63.3-42.6179.600000112.7N20 P96 H102N20-A98 HydrophobicContact CB-CB 4.3Å; P96-A98 VanDerWaalsContact C-N 3.27Å; P96-A98 PolarHBondContact O-N 2.86Å; A98-H102 PolarHBondContact O-CD2 3.31Å; A98-H102 PolarHBondContact O-N 2.87Å
99Q92.8Very high92.3Very high68 Ų6833.9 Ų33.932%0.31817%0.168SC..Hα-helixtrans-71.2-38.5177-68.5-179.8-2.200111.2L95 P96 Y101 H102 V103L95-Q99 HydrophobicContact CB-CB 4.39Å; L95-Q99 HydrophobicContact CD2-CB 4.17Å; P96-Q99 WeakPolarHBondContact O-CA 3.47Å; P96-Q99 PolarHBondContact O-N 2.8Å; Q99-Y101 VanDerWaalsContact C-N 3.3Å; Q99-Y101 PolarHBondContact O-N 2.84Å; Q99-H102 PolarHBondContact O-N 3.13Å; Q99-H102 VanDerWaalsContact O-N 3.17Å; Q99-V103 WeakPolarHBondContact O-CB 3.44Å; Q99-V103 VanDerWaalsContact O-CG2 3.29Å; Q99-V103 WeakPolarHBondContact O-CG2 3.02Å; Q99-V103 PolarHBondContact O-N 3.46Å
100L94.5Very high92.4Very high9 Ų938.8 Ų38.85%0.04719%0.19CC..Hα-helixtrans-55.5-46.9174.1-178.961000110.9L62 V65 L87 L90 L95 P96 R97 F104L62-L100 HydrophobicContact CD2-CD2 4.14Å; V65-L100 HydrophobicContact CG2-CB 4.48Å; V65-L100 HydrophobicContact CG2-CD2 4.14Å; V65-L100 HydrophobicContact CG2-CG 4.14Å; L87-L100 HydrophobicContact CD2-CD1 4.16Å; L87-L100 HydrophobicContact CD2-CG 4.38Å; L90-L100 HydrophobicContact CB-CD1 3.5Å; L90-L100 HydrophobicContact CD1-CD1 4.08Å; L90-L100 HydrophobicContact CG-CD1 4.44Å; L95-L100 HydrophobicContact CB-CB 4.12Å; L95-L100 HydrophobicContact CD1-CD1 4.39Å; P96-L100 PolarHBondContact O-N 2.99Å; R97-L100 PolarHBondContact O-N 3.41Å; L100-F104 WeakPolarHBondContact O-CB 3.26Å; L100-F104 PolarHBondContact O-N 2.87Å
101Y95.4Very high92.5Very high12 Ų1239.4 Ų39.45%0.04719%0.192CC..Hα-helixtrans-58.9-49.5174.1174.8-91.8000112.4P21 F22 V65 L68 F69 T72 R97 Q99 V103 F104 F105P21-Y101 HydrophobicContact CB-CD1 3.98Å; P21-Y101 HydrophobicContact CB-CE1 3.92Å; P21-Y101 HydrophobicContact CG-CD1 3.42Å; P21-Y101 VanDerWaalsContact CG-CD1 3.42Å; P21-Y101 HydrophobicContact CG-CE1 3.9Å; P21-Y101 HydrophobicContact CG-CG 3.93Å; F22-Y101 HydrophobicContact CE2-CG 4.38Å; F22-Y101 HydrophobicContact CZ-CD2 4.34Å; F22-Y101 HydrophobicContact CZ-CG 4.33Å; V65-Y101 HydrophobicContact CG1-CD2 4.36Å; L68-Y101 HydrophobicContact CB-CD2 4.18Å; L68-Y101 HydrophobicContact CB-CE2 3.82Å; L68-Y101 HydrophobicContact CD2-CD2 3.78Å; L68-Y101 HydrophobicContact CD2-CE1 4.32Å; L68-Y101 HydrophobicContact CD2-CE2 3.58Å; L68-Y101 HydrophobicContact CD2-CG 4.22Å; L68-Y101 HydrophobicContact CG-CD2 4.06Å; L68-Y101 HydrophobicContact CG-CE2 3.45Å; L68-Y101 VanDerWaalsContact CG-CE2 3.45Å; F69-Y101 HydrophobicContact CB-CE2 4.27Å; T72-Y101 PolarHBondContact OG1-OH 3.45Å; R97-Y101 PolarHBondContact O-N 2.88Å; Q99-Y101 VanDerWaalsContact C-N 3.3Å; Q99-Y101 PolarHBondContact O-N 2.84Å; Y101-V103 VanDerWaalsContact C-N 3.35Å; Y101-V103 PolarHBondContact O-N 3.03Å; Y101-F104 PolarHBondContact O-N 3.43Å; Y101-F105 HydrophobicContact CE1-CB 4.32Å; Y101-F105 HydrophobicContact CE1-CD2 4.31Å; Y101-F105 AromaticContact CZ-CD2 3.98Å; Y101-F105 VanDerWaalsContact O-CB 3.23Å; Y101-F105 WeakPolarHBondContact O-CB 3.42Å; Y101-F105 PolarHBondContact O-N 3.47Å
102H95.2Very high92.8Very high15 Ų1539 Ų397%0.06919%0.189CC..Hα-helixtrans-65-39.8-175.7-71.7-51.7000112.7V15 K18 S19 A98 Q99 A106V15-H102 HydrophobicContact CB-CB 3.84Å; V15-H102 HydrophobicContact CG1-CB 3.93Å; V15-H102 HydrophobicContact CG2-CB 4.38Å; K18-H102 VanDerWaalsContact CB-NE2 3.34Å; K18-H102 WeakPolarHBondContact CB-NE2 3.49Å; K18-H102 HydrophobicContact CD-CB 4.49Å; K18-H102 WeakPolarHBondContact CD-ND1 3.31Å; S19-H102 PolarHBondContact O-CE1 3.23Å; S19-H102 PolarHBondContact O-NE2 3.26Å; A98-H102 PolarHBondContact O-CD2 3.31Å; A98-H102 PolarHBondContact O-N 2.87Å; Q99-H102 PolarHBondContact O-N 3.13Å; Q99-H102 VanDerWaalsContact O-N 3.17Å; H102-A106 VanDerWaalsContact O-CB 3.31Å; H102-A106 WeakPolarHBondContact O-CB 3.48Å; H102-A106 PolarHBondContact O-N 3.06Å
103V95Very high93.1Very high0 Ų037.3 Ų37.30%018%0.175CC..Hα-helixtrans-64.7-50.6174.4169.40000109.9M9 I10 L13 V15 L90 L95 Q99 Y101 F105 A106 L107M9-V103 HydrophobicContact CE-CB 4.2Å; M9-V103 HydrophobicContact CE-CG1 3.4Å; M9-V103 VanDerWaalsContact CE-CG1 3.4Å; M9-V103 HydrophobicContact CE-CG2 3.74Å; M9-V103 HydrophobicContact SD-CG1 3.97Å; I10-V103 HydrophobicContact CG1-CG2 4.42Å; L13-V103 HydrophobicContact CD1-CB 4.22Å; L13-V103 HydrophobicContact CD1-CG1 3.79Å; L13-V103 HydrophobicContact CD1-CG2 4.16Å; V15-V103 HydrophobicContact CG2-CG2 4.05Å; L90-V103 HydrophobicContact CD1-CG1 3.92Å; L90-V103 HydrophobicContact CD2-CG1 3.64Å; L90-V103 HydrophobicContact CG-CG1 4.41Å; L95-V103 HydrophobicContact CD1-CB 4.24Å; L95-V103 HydrophobicContact CD1-CG1 4.41Å; L95-V103 HydrophobicContact CD1-CG2 3.97Å; Q99-V103 WeakPolarHBondContact O-CB 3.44Å; Q99-V103 VanDerWaalsContact O-CG2 3.29Å; Q99-V103 WeakPolarHBondContact O-CG2 3.02Å; Q99-V103 PolarHBondContact O-N 3.46Å; Y101-V103 VanDerWaalsContact C-N 3.35Å; Y101-V103 PolarHBondContact O-N 3.03Å; V103-F105 VanDerWaalsContact C-N 3.35Å; V103-F105 PolarHBondContact O-N 3.44Å; V103-A106 PolarHBondContact O-N 2.8Å; V103-A106 VanDerWaalsContact O-N 3.17Å; V103-L107 HydrophobicContact CG1-CD1 3.87Å; V103-L107 HydrophobicContact CG1-CG 4.41Å; V103-L107 WeakPolarHBondContact O-CG 3.35Å; V103-L107 PolarHBondContact O-N 3.26Å
104F95.6Very high93.2Very high0 Ų039.9 Ų39.90%019%0.186CC..Hα-helixtrans-55.9-49.7178176.4-103.3000111.4V65 F69 W83 L86 L87 L90 L100 Y101 A106 L107 T108V65-F104 HydrophobicContact CG1-CB 4.11Å; V65-F104 HydrophobicContact CG1-CD1 3.74Å; V65-F104 HydrophobicContact CG1-CE1 4.38Å; V65-F104 HydrophobicContact CG1-CG 3.98Å; F69-F104 HydrophobicContact CB-CD1 4.27Å; F69-F104 HydrophobicContact CB-CE1 3.78Å; F69-F104 AromaticContact CD1-CE1 3.87Å; F69-F104 HydrophobicContact CD1-CE1 3.87Å; F69-F104 HydrophobicContact CD2-CD1 4.17Å; F69-F104 AromaticContact CD2-CE1 3.91Å; F69-F104 HydrophobicContact CD2-CE1 3.91Å; F69-F104 HydrophobicContact CE1-CE1 4.46Å; F69-F104 HydrophobicContact CG-CD1 4.19Å; F69-F104 AromaticContact CG-CE1 3.57Å; F69-F104 HydrophobicContact CG-CE1 3.57Å; W83-F104 HydrophobicContact CB-CE2 3.84Å; W83-F104 HydrophobicContact CB-CZ 3.73Å; W83-F104 AromaticContact CD2-CZ 3.89Å; W83-F104 HydrophobicContact CD2-CZ 3.89Å; W83-F104 HydrophobicContact CE3-CZ 4.28Å; W83-F104 HydrophobicContact CG-CE2 4.05Å; W83-F104 AromaticContact CG-CZ 3.62Å; W83-F104 HydrophobicContact CG-CZ 3.62Å; L86-F104 HydrophobicContact CD2-CD2 3.92Å; L86-F104 HydrophobicContact CD2-CE2 4.03Å; L86-F104 HydrophobicContact CG-CD2 4.47Å; L87-F104 HydrophobicContact CD1-CD2 4.48Å; L87-F104 HydrophobicContact CD1-CE2 4.17Å; L87-F104 HydrophobicContact CD2-CB 4.38Å; L87-F104 HydrophobicContact CD2-CD2 3.68Å; L87-F104 HydrophobicContact CD2-CE2 4.2Å; L87-F104 HydrophobicContact CD2-CG 4.11Å; L87-F104 HydrophobicContact CG-CD2 3.85Å; L87-F104 HydrophobicContact CG-CE2 3.89Å; L90-F104 HydrophobicContact CD1-CB 4.04Å; L90-F104 HydrophobicContact CD1-CD2 4.39Å; L100-F104 WeakPolarHBondContact O-CB 3.26Å; L100-F104 PolarHBondContact O-N 2.87Å; Y101-F104 PolarHBondContact O-N 3.43Å; F104-A106 VanDerWaalsContact C-N 3.35Å; F104-A106 PolarHBondContact O-N 2.95Å; F104-L107 PolarHBondContact O-N 2.93Å; F104-T108 HydrophobicContact CD2-CG2 4.1Å; F104-T108 HydrophobicContact CE1-CG2 4.16Å; F104-T108 HydrophobicContact CE2-CG2 3.72Å; F104-T108 HydrophobicContact CG-CG2 4.48Å; F104-T108 HydrophobicContact CZ-CG2 3.75Å; F104-T108 WeakPolarHBondContact O-CG2 3.43Å; F104-T108 PolarHBondContact O-N 3.23Å; F104-T108 PolarHBondContact O-OG1 3.11Å
105F94.9Very high93.1Very high52 Ų5232.1 Ų32.123%0.22816%0.161CC..Hα-helixtrans-57.2-46.1176.3-176.3-78.6000111.8F69 T72 Y101 V103 T108 T109F69-F105 HydrophobicContact CD2-CB 4.5Å; F69-F105 AromaticContact CD2-CD2 3.82Å; F69-F105 HydrophobicContact CD2-CD2 3.82Å; F69-F105 AromaticContact CE2-CD2 3.97Å; F69-F105 HydrophobicContact CE2-CD2 3.97Å; F69-F105 HydrophobicContact CE2-CE2 4.46Å; T72-F105 HydrophobicContact CG2-CE2 4.08Å; Y101-F105 HydrophobicContact CE1-CB 4.32Å; Y101-F105 HydrophobicContact CE1-CD2 4.31Å; Y101-F105 AromaticContact CZ-CD2 3.98Å; Y101-F105 VanDerWaalsContact O-CB 3.23Å; Y101-F105 WeakPolarHBondContact O-CB 3.42Å; Y101-F105 PolarHBondContact O-N 3.47Å; V103-F105 VanDerWaalsContact C-N 3.35Å; V103-F105 PolarHBondContact O-N 3.44Å; F105-T108 PolarHBondContact O-OG1 2.84Å; F105-T109 HydrophobicContact CD1-CG2 4.28Å; F105-T109 HydrophobicContact CE1-CG2 4.01Å; F105-T109 HydrophobicContact CE2-CG2 4.44Å; F105-T109 HydrophobicContact CZ-CG2 4.09Å; F105-T109 WeakPolarHBondContact O-CB 3.49Å; F105-T109 VanDerWaalsContact O-CG2 3.32Å; F105-T109 WeakPolarHBondContact O-CG2 3.45Å; F105-T109 PolarHBondContact O-N 3.47Å; F105-T109 VanDerWaalsContact O-N 3.09Å; F105-T109 PolarHBondContact O-OG1 3.5Å
106A93.9Very high93Very high3 Ų331.4 Ų31.43%0.02516%0.158CC..Hα-helixtrans-65.7-41.8-178.900000111.8L13 V15 H102 V103 F104 K110L13-A106 HydrophobicContact CB-CB 4.22Å; L13-A106 HydrophobicContact CD1-CB 4.38Å; L13-A106 HydrophobicContact CD2-CB 4.05Å; L13-A106 HydrophobicContact CG-CB 4.47Å; V15-A106 HydrophobicContact CG1-CB 4.35Å; H102-A106 VanDerWaalsContact O-CB 3.31Å; H102-A106 WeakPolarHBondContact O-CB 3.48Å; H102-A106 PolarHBondContact O-N 3.06Å; V103-A106 PolarHBondContact O-N 2.8Å; V103-A106 VanDerWaalsContact O-N 3.17Å; F104-A106 VanDerWaalsContact C-N 3.35Å; F104-A106 PolarHBondContact O-N 2.95Å; A106-K110 VanDerWaalsContact O-CB 3.23Å; A106-K110 WeakPolarHBondContact O-CB 3.48Å; A106-K110 WeakPolarHBondContact O-CG 3.31Å; A106-K110 PolarHBondContact O-N 2.93Å
107L95Very high92.7Very high0 Ų030.6 Ų30.60%015%0.145CC..Hα-helixtrans-66-48.5178.3-69174.9000111.8L13 L86 L90 V103 F104 T109 Y111 I112 L159 L173 L177L13-L107 HydrophobicContact CD1-CD2 4.33Å; L13-L107 HydrophobicContact CD1-CG 4.27Å; L13-L107 HydrophobicContact CD2-CD2 4.07Å; L86-L107 HydrophobicContact CD1-CD1 4.11Å; L86-L107 HydrophobicContact CD2-CB 4.09Å; L90-L107 HydrophobicContact CD1-CD1 4.24Å; L90-L107 HydrophobicContact CD2-CD1 3.91Å; V103-L107 HydrophobicContact CG1-CD1 3.87Å; V103-L107 HydrophobicContact CG1-CG 4.41Å; V103-L107 WeakPolarHBondContact O-CG 3.35Å; V103-L107 PolarHBondContact O-N 3.26Å; F104-L107 PolarHBondContact O-N 2.93Å; L107-T109 VanDerWaalsContact C-N 3.3Å; L107-T109 PolarHBondContact O-N 3.4Å; L107-Y111 HydrophobicContact CD2-CD2 4.07Å; L107-Y111 PolarHBondContact O-N 2.85Å; L107-I112 PolarHBondContact O-N 2.93Å; L107-I112 VanDerWaalsContact O-N 3.17Å; L107-L159 HydrophobicContact CD2-CD1 4.17Å; L107-L173 HydrophobicContact CD1-CD2 4.44Å; L107-L173 HydrophobicContact CD2-CD1 3.95Å; L107-L177 HydrophobicContact CD2-CD1 4.39Å; L107-L177 HydrophobicContact CD2-CD2 3.92Å
108T94.3Very high92.4Very high16 Ų1633 Ų3310%0.09816%0.157CC..Hα-helixtrans-67.1-29.5-178.3550000113.4F69 L86 F104 F105 I112F69-T108 WeakPolarHBondContact CE2-OG1 3.3Å; F69-T108 HydrophobicContact CZ-CG2 4.46Å; F69-T108 WeakPolarHBondContact CZ-OG1 3.44Å; L86-T108 HydrophobicContact CD2-CG2 3.84Å; F104-T108 HydrophobicContact CD2-CG2 4.1Å; F104-T108 HydrophobicContact CE1-CG2 4.16Å; F104-T108 HydrophobicContact CE2-CG2 3.72Å; F104-T108 HydrophobicContact CG-CG2 4.48Å; F104-T108 HydrophobicContact CZ-CG2 3.75Å; F104-T108 WeakPolarHBondContact O-CG2 3.43Å; F104-T108 PolarHBondContact O-N 3.23Å; F104-T108 PolarHBondContact O-OG1 3.11Å; F105-T108 PolarHBondContact O-OG1 2.84Å; T108-I112 HydrophobicContact CG2-CD1 4.11Å
109T92.4Very high92Very high49 Ų4934.6 Ų34.630%0.30116%0.163SC..Hα-helixtrans-94.8-26.3-17858.90000114.4F69 F105 L107F69-T109 HydrophobicContact CE2-CG2 4.17Å; F105-T109 HydrophobicContact CD1-CG2 4.28Å; F105-T109 HydrophobicContact CE1-CG2 4.01Å; F105-T109 HydrophobicContact CE2-CG2 4.44Å; F105-T109 HydrophobicContact CZ-CG2 4.09Å; F105-T109 WeakPolarHBondContact O-CB 3.49Å; F105-T109 VanDerWaalsContact O-CG2 3.32Å; F105-T109 WeakPolarHBondContact O-CG2 3.45Å; F105-T109 PolarHBondContact O-N 3.47Å; F105-T109 VanDerWaalsContact O-N 3.09Å; F105-T109 PolarHBondContact O-OG1 3.5Å; L107-T109 VanDerWaalsContact C-N 3.3Å; L107-T109 PolarHBondContact O-N 3.4Å
110K93Very high91.8Very high106 Ų10636.1 Ų36.146%0.46117%0.17SC..Hα-helixtrans-106.7-33.6-176.6-60.5-176.8176.3-179.40114.5A106 P182 F254A106-K110 VanDerWaalsContact O-CB 3.23Å; A106-K110 WeakPolarHBondContact O-CB 3.48Å; A106-K110 WeakPolarHBondContact O-CG 3.31Å; A106-K110 PolarHBondContact O-N 2.93Å; K110-P182 VanDerWaalsContact O-CB 3.29Å; K110-P182 WeakPolarHBondContact O-CB 3.39Å; K110-P182 VanDerWaalsContact O-CG 3.23Å; K110-P182 WeakPolarHBondContact O-CG 3.31Å; K110-F254 WeakPolarHBondContact O-CD1 3.47Å
111Y94.9Very high91.5Very high13 Ų1339 Ų395%0.05118%0.183CC..THydrogen-bonded Turntrans-115-14.4-168.3-69.8-83.3000114L13 L107 Y176 L177 P182L13-Y111 HydrophobicContact CD2-CD2 4.22Å; L13-Y111 HydrophobicContact CD2-CE2 3.63Å; L107-Y111 HydrophobicContact CD2-CD2 4.07Å; L107-Y111 PolarHBondContact O-N 2.85Å; Y111-Y176 HydrophobicContact CD1-CD1 4.27Å; Y111-Y176 AromaticContact CD1-CE1 3.68Å; Y111-Y176 HydrophobicContact CD1-CE1 3.68Å; Y111-Y176 HydrophobicContact CD1-CE2 4.12Å; Y111-Y176 AromaticContact CD1-CZ 3.6Å; Y111-Y176 HydrophobicContact CG-CE1 4.19Å; Y111-Y176 PolarHBondContact O-OH 3.06Å; Y111-L177 HydrophobicContact CD1-CD2 4.38Å; Y111-L177 HydrophobicContact CD2-CD2 3.99Å; Y111-L177 HydrophobicContact CE1-CD2 3.95Å; Y111-L177 HydrophobicContact CE2-CD2 3.51Å; Y111-L177 HydrophobicContact CG-CD2 4.39Å; Y111-L177 VanDerWaalsContact CZ-CD2 3.47Å; Y111-P182 HydrophobicContact CD1-CG 4.48Å
112I95.2Very high91.4Very high14 Ų1438.5 Ų38.57%0.07218%0.182CC..SBendtrans-101124.2173.8-66.3167.8000109L86 L107 T108 K114 N157 L159L86-I112 HydrophobicContact CD2-CD1 3.81Å; L107-I112 PolarHBondContact O-N 2.93Å; L107-I112 VanDerWaalsContact O-N 3.17Å; T108-I112 HydrophobicContact CG2-CD1 4.11Å; I112-K114 PolarHBondContact O-N 3.14Å; I112-N157 WeakPolarHBondContact CD1-O 3.29Å; I112-L159 HydrophobicContact CD1-CG 4.31Å; I112-L159 HydrophobicContact CG1-CD1 4.34Å; I112-L159 HydrophobicContact CG1-CD2 3.73Å; I112-L159 HydrophobicContact CG1-CG 3.93Å
113P93.1Very high91.3Very high0 Ų037.8 Ų37.80%018%0.178CC..PPolyproline II helixtrans-60.5133.8176.1-18.127.8000110.6D115 C116 A122 F186 L253 F254P113-D115 PolarHBondContact O-N 3.48Å; P113-C116 HydrophobicContact CB-CB 4.15Å; P113-C116 WeakPolarHBondContact O-CB 3.18Å; P113-C116 PolarHBondContact O-N 3.31Å; P113-C116 PolarHBondContact O-SG 2.93Å; P113-A122 HydrophobicContact CB-CB 3.88Å; P113-A122 HydrophobicContact CG-CB 4.19Å; P113-F186 HydrophobicContact CG-CZ 3.91Å; P113-L253 HydrophobicContact CB-CB 4.48Å; P113-L253 HydrophobicContact CB-CD2 4.42Å; P113-F254 HydrophobicContact CB-CE1 4.15Å; P113-F254 HydrophobicContact CB-CZ 4.24Å; P113-F254 HydrophobicContact CG-CE1 3.83Å; P113-F254 HydrophobicContact CG-CZ 3.76Å
114K88.7Confident91.1Very high63 Ų6340 Ų4027%0.27419%0.19SC..THydrogen-bonded Turntrans-50.1131.4-178.6-77.3179.8-176.31780111.7I112 C116 L253 G255 N257I112-K114 PolarHBondContact O-N 3.14Å; K114-C116 PolarHBondContact O-N 3.35Å; K114-L253 WeakPolarHBondContact CG-O 3.12Å; K114-L253 PolarHBondContact N-O 3.46Å; K114-G255 WeakPolarHBondContact CE-O 3.47Å; K114-G255 PolarHBondContact NZ-O 2.85Å; K114-N257 PolarHBondContact NZ-OD1 2.89Å
115D84.5Confident91Very high67 Ų6740.1 Ų40.136%0.35819%0.191SC..THydrogen-bonded Turntrans55.220.1167.8-72.6-29.4000114.1P113 W117 K118 N119P113-D115 PolarHBondContact O-N 3.48Å; D115-W117 PolarHBondContact O-N 3.48Å; D115-K118 HydrophobicContact CB-CD 4.31Å; D115-K118 HydrophobicContact CB-CG 3.93Å; D115-K118 WeakPolarHBondContact O-CG 3.38Å; D115-K118 PolarHBondContact O-N 3.44Å; D115-K118 WeakPolarHBondContact OD1-CE 3.25Å; D115-K118 IonicContact OD1-NZ 3.6Å; D115-K118 PolarHBondContact OD1-NZ 3.34Å; D115-K118 WeakPolarHBondContact OD2-CE 3.2Å; D115-K118 IonicContact OD2-NZ 3.13Å; D115-K118 PolarHBondContact OD2-NZ 3.47Å; D115-N119 HydrophobicContact CB-CB 4.13Å; D115-N119 WeakPolarHBondContact O-CB 3.43Å; D115-N119 PolarHBondContact O-N 2.91Å
116C87.9Confident91Very high3 Ų337.7 Ų37.72%0.0218%0.18CC..THydrogen-bonded Turntrans-61.8-15.6-171.957.60000114.8P113 K114 A122P113-C116 HydrophobicContact CB-CB 4.15Å; P113-C116 WeakPolarHBondContact O-CB 3.18Å; P113-C116 PolarHBondContact O-N 3.31Å; P113-C116 PolarHBondContact O-SG 2.93Å; K114-C116 PolarHBondContact O-N 3.35Å; C116-A122 HydrophobicContact CB-CB 3.96Å
117W84.6Confident91.1Very high62 Ų6239.7 Ų39.724%0.23519%0.187CC..THydrogen-bonded Turntrans-73.5-33.2172.966.6-90.4000112.8C78 E80 N81 D115 K153C78-W117 HydrophobicContact CB-CH2 4.11Å; C78-W117 HydrophobicContact CB-CZ2 4.29Å; C78-W117 HydrophobicContact CB-CZ3 4.44Å; E80-W117 HydrophobicContact CB-CE3 4.07Å; E80-W117 WeakPolarHBondContact O-CB 3.48Å; N81-W117 HydrophobicContact CB-CG 4.33Å; D115-W117 PolarHBondContact O-N 3.48Å; W117-K153 WeakPolarHBondContact O-CE 3.42Å; W117-K153 PolarHBondContact O-NZ 3.36Å
118K86.9Confident91.1Very high119 Ų11939.8 Ų39.852%0.51719%0.187SC..THydrogen-bonded Turntrans-106.3-33.6179.263.2176.8-179.6-168.80113.8D115D115-K118 HydrophobicContact CB-CD 4.31Å; D115-K118 HydrophobicContact CB-CG 3.93Å; D115-K118 WeakPolarHBondContact O-CG 3.38Å; D115-K118 PolarHBondContact O-N 3.44Å; D115-K118 WeakPolarHBondContact OD1-CE 3.25Å; D115-K118 IonicContact OD1-NZ 3.6Å; D115-K118 PolarHBondContact OD1-NZ 3.34Å; D115-K118 WeakPolarHBondContact OD2-CE 3.2Å; D115-K118 IonicContact OD2-NZ 3.13Å; D115-K118 PolarHBondContact OD2-NZ 3.47Å
119N85Confident91.2Very high56 Ų5639 Ų3930%0.29918%0.183SC..  trans-97.5126.5-177.8-176.4-8.2000110D115 Q121D115-N119 HydrophobicContact CB-CB 4.13Å; D115-N119 WeakPolarHBondContact O-CB 3.43Å; D115-N119 PolarHBondContact O-N 2.91Å; N119-Q121 VanDerWaalsContact C-N 3.27Å; N119-Q121 PolarHBondContact ND2-OE1 3.08Å; N119-Q121 PolarHBondContact O-N 2.94Å; N119-Q121 WeakPolarHBondContact OD1-CB 3.41Å; N119-Q121 VanDerWaalsContact OD1-CG 3.28Å; N119-Q121 WeakPolarHBondContact OD1-CG 3.3Å; N119-Q121 PolarHBondContact OD1-N 2.85Å
120E88Confident91.3Very high99 Ų9936.8 Ų36.846%0.46317%0.169SC..THydrogen-bonded Turntrans-80.71.5-179.2-61-172.4172.800113.9A122 S123 N124 A149E120-A122 PolarHBondContact O-N 3.3Å; E120-S123 CarbonylContact O-C 3.58Å; E120-S123 WeakPolarHBondContact O-CB 3.41Å; E120-S123 PolarHBondContact O-N 2.92Å; E120-S123 VanDerWaalsContact O-N 3.13Å; E120-N124 WeakPolarHBondContact O-CB 3.43Å; E120-N124 VanDerWaalsContact O-CG 3.25Å; E120-N124 PolarHBondContact O-N 2.89Å; E120-N124 PolarHBondContact O-ND2 2.83Å; E120-A149 HydrophobicContact CG-CB 4.06Å
121Q88.8Confident91.4Very high71 Ų7132.2 Ų32.233%0.33215%0.149SC..Hα-helixtrans-54.7-46.3-179.5-83.5179.7-9.100113.3N119 S123 N124 L125 L253N119-Q121 VanDerWaalsContact C-N 3.27Å; N119-Q121 PolarHBondContact ND2-OE1 3.08Å; N119-Q121 PolarHBondContact O-N 2.94Å; N119-Q121 WeakPolarHBondContact OD1-CB 3.41Å; N119-Q121 VanDerWaalsContact OD1-CG 3.28Å; N119-Q121 WeakPolarHBondContact OD1-CG 3.3Å; N119-Q121 PolarHBondContact OD1-N 2.85Å; Q121-S123 PolarHBondContact O-N 2.83Å; Q121-N124 PolarHBondContact O-N 3.14Å; Q121-L125 WeakPolarHBondContact O-CB 3.43Å; Q121-L125 PolarHBondContact O-N 2.93Å; Q121-L253 HydrophobicContact CB-CD2 4.02Å
122A92.3Very high91.5Very high1 Ų131.7 Ų31.71%0.00815%0.147CC..Hα-helixtrans-62.7-43.3176.800000111.6P113 C116 E120 N124 L125 F126 F156 F186 L253P113-A122 HydrophobicContact CB-CB 3.88Å; P113-A122 HydrophobicContact CG-CB 4.19Å; C116-A122 HydrophobicContact CB-CB 3.96Å; E120-A122 PolarHBondContact O-N 3.3Å; A122-N124 PolarHBondContact O-N 2.97Å; A122-L125 PolarHBondContact O-N 2.97Å; A122-F126 WeakPolarHBondContact O-CB 3.38Å; A122-F126 PolarHBondContact O-N 2.88Å; A122-F156 HydrophobicContact CB-CD2 4.38Å; A122-F186 HydrophobicContact CB-CE1 4.11Å; A122-F186 HydrophobicContact CB-CZ 4.17Å; A122-F186 WeakPolarHBondContact O-CE1 3.47Å; A122-L253 HydrophobicContact CB-CD2 4.45Å
123S92.7Very high91.5Very high0 Ų031 Ų310%014%0.144CC..Hα-helixtrans-64.5-38.9176.3-57.80000112.6E120 Q121 F126 R127 P148 A149E120-S123 CarbonylContact O-C 3.58Å; E120-S123 WeakPolarHBondContact O-CB 3.41Å; E120-S123 PolarHBondContact O-N 2.92Å; E120-S123 VanDerWaalsContact O-N 3.13Å; Q121-S123 PolarHBondContact O-N 2.83Å; S123-F126 PolarHBondContact O-N 3.17Å; S123-R127 PolarHBondContact O-N 3.39Å; S123-P148 WeakPolarHBondContact O-CG 3.13Å; S123-A149 WeakPolarHBondContact OG-CA 3.43Å; S123-A149 PolarHBondContact OG-N 3.28Å
124N91.3Very high91.6Very high46 Ų4631.4 Ų31.425%0.24615%0.146CC..Hα-helixtrans-67.2-42.9176.7-74.7-34.7000110.9E120 Q121 A122 F126 R127 L128E120-N124 WeakPolarHBondContact O-CB 3.43Å; E120-N124 VanDerWaalsContact O-CG 3.25Å; E120-N124 PolarHBondContact O-N 2.89Å; E120-N124 PolarHBondContact O-ND2 2.83Å; Q121-N124 PolarHBondContact O-N 3.14Å; A122-N124 PolarHBondContact O-N 2.97Å; N124-F126 VanDerWaalsContact C-N 3.34Å; N124-R127 WeakPolarHBondContact O-CB 3.38Å; N124-R127 PolarHBondContact O-N 3.37Å; N124-L128 WeakPolarHBondContact O-CG 3.21Å; N124-L128 PolarHBondContact O-N 3.44Å; N124-L128 VanDerWaalsContact O-N 3.17Å
125L93.3Very high91.9Very high3 Ų328.6 Ų28.62%0.01613%0.134CC..Hα-helixtrans-61.8-43.7174-176.962.1000111.1Q121 A122 R127 L128 L129 F183 F186 F245 Y249 L253Q121-L125 WeakPolarHBondContact O-CB 3.43Å; Q121-L125 PolarHBondContact O-N 2.93Å; A122-L125 PolarHBondContact O-N 2.97Å; L125-R127 VanDerWaalsContact C-N 3.32Å; L125-R127 PolarHBondContact O-N 2.87Å; L125-L128 WeakPolarHBondContact O-CB 3.28Å; L125-L128 PolarHBondContact O-N 3.45Å; L125-L128 VanDerWaalsContact O-N 3.09Å; L125-L129 PolarHBondContact O-N 2.87Å; L125-F183 HydrophobicContact CD2-CD1 4.34Å; L125-F183 HydrophobicContact CD2-CE1 3.87Å; L125-F186 HydrophobicContact CD2-CE2 4.13Å; L125-F186 HydrophobicContact CD2-CZ 4.22Å; L125-F245 HydrophobicContact CD1-CD2 3.62Å; L125-F245 HydrophobicContact CD1-CE2 3.29Å; L125-F245 HydrophobicContact CD1-CZ 4.04Å; L125-F245 HydrophobicContact CD2-CE1 4.43Å; L125-F245 HydrophobicContact CD2-CE2 4.01Å; L125-F245 HydrophobicContact CD2-CZ 3.88Å; L125-F245 HydrophobicContact CG-CD2 4.22Å; L125-F245 HydrophobicContact CG-CE2 3.42Å; L125-F245 VanDerWaalsContact CG-CE2 3.42Å; L125-F245 HydrophobicContact CG-CZ 3.68Å; L125-Y249 HydrophobicContact CD1-CD1 3.87Å; L125-Y249 HydrophobicContact CD1-CD2 3.98Å; L125-Y249 HydrophobicContact CD1-CE1 3.79Å; L125-Y249 HydrophobicContact CD1-CE2 3.94Å; L125-Y249 HydrophobicContact CD1-CG 3.94Å; L125-Y249 HydrophobicContact CD2-CD1 4.14Å; L125-Y249 HydrophobicContact CD2-CG 3.99Å; L125-Y249 HydrophobicContact CG-CD1 4.49Å; L125-L253 HydrophobicContact CD2-CD1 3.45Å; L125-L253 VanDerWaalsContact CD2-CD1 3.45Å
126F95.9Very high92.4Very high0 Ų028.9 Ų28.90%013%0.133CC..Hα-helixtrans-63.1-37.9176.4-176.5-125.6000112.5A122 S123 N124 L128 L129 L130 P148 Y151 W155 F156 F186 A189 L190 M193A122-F126 WeakPolarHBondContact O-CB 3.38Å; A122-F126 PolarHBondContact O-N 2.88Å; S123-F126 PolarHBondContact O-N 3.17Å; N124-F126 VanDerWaalsContact C-N 3.34Å; F126-L128 VanDerWaalsContact C-N 3.25Å; F126-L128 PolarHBondContact O-N 3.35Å; F126-L129 HydrophobicContact CD2-CD2 4.44Å; F126-L129 WeakPolarHBondContact O-CB 3.33Å; F126-L129 PolarHBondContact O-N 3.42Å; F126-L130 PolarHBondContact O-N 3.18Å; F126-P148 HydrophobicContact CD1-CB 3.79Å; F126-P148 HydrophobicContact CD1-CG 4.16Å; F126-Y151 HydrophobicContact CE1-CE2 4.21Å; F126-W155 HydrophobicContact CE1-CZ3 4.25Å; F126-F156 HydrophobicContact CB-CE2 4.26Å; F126-F156 HydrophobicContact CB-CZ 3.9Å; F126-F156 AromaticContact CD1-CZ 3.96Å; F126-F156 HydrophobicContact CD1-CZ 3.96Å; F126-F156 HydrophobicContact CD2-CZ 4.33Å; F126-F156 AromaticContact CG-CZ 3.79Å; F126-F156 HydrophobicContact CG-CZ 3.79Å; F126-F186 HydrophobicContact CB-CD1 3.99Å; F126-F186 HydrophobicContact CB-CE1 4.44Å; F126-F186 HydrophobicContact CD2-CB 4.45Å; F126-F186 HydrophobicContact CD2-CD1 4.41Å; F126-F186 VanDerWaalsContact CE2-O 3.31Å; F126-F186 WeakPolarHBondContact CE2-O 3.47Å; F126-A189 HydrophobicContact CD2-CB 4.23Å; F126-A189 HydrophobicContact CE1-CB 4.2Å; F126-A189 HydrophobicContact CE2-CB 3.57Å; F126-A189 HydrophobicContact CZ-CB 3.55Å; F126-L190 HydrophobicContact CE2-CB 4.11Å; F126-M193 HydrophobicContact CE1-CG 4.38Å; F126-M193 HydrophobicContact CZ-CG 3.98Å
127R95Very high92.8Very high46 Ų4628.7 Ų28.717%0.17413%0.132CC..Hα-helixtrans-57.7-39.5172.4-166.9-170.46173.65.5111.8S123 N124 L125 L130 I131 P148 V269S123-R127 PolarHBondContact O-N 3.39Å; N124-R127 WeakPolarHBondContact O-CB 3.38Å; N124-R127 PolarHBondContact O-N 3.37Å; L125-R127 VanDerWaalsContact C-N 3.32Å; L125-R127 PolarHBondContact O-N 2.87Å; R127-L130 PolarHBondContact O-N 3.23Å; R127-I131 PolarHBondContact O-N 2.66Å; R127-P148 HydrophobicContact CB-CG 3.89Å; R127-P148 HydrophobicContact CG-CG 4.41Å; R127-V269 PolarHBondContact NH2-O 3.16Å
128L94.4Very high93.3Very high2 Ų225.9 Ų25.91%0.0112%0.122CC..Hα-helixtrans-68.3-38177.7-62.3174.7000112.4N124 L125 F126 L130 I131 Y132 L267 V269 C271N124-L128 WeakPolarHBondContact O-CG 3.21Å; N124-L128 PolarHBondContact O-N 3.44Å; N124-L128 VanDerWaalsContact O-N 3.17Å; L125-L128 WeakPolarHBondContact O-CB 3.28Å; L125-L128 PolarHBondContact O-N 3.45Å; L125-L128 VanDerWaalsContact O-N 3.09Å; F126-L128 VanDerWaalsContact C-N 3.25Å; F126-L128 PolarHBondContact O-N 3.35Å; L128-L130 VanDerWaalsContact C-N 3.33Å; L128-I131 WeakPolarHBondContact O-CG2 3.38Å; L128-Y132 VanDerWaalsContact O-CB 3.26Å; L128-Y132 WeakPolarHBondContact O-CB 3.39Å; L128-Y132 PolarHBondContact O-N 3.01Å; L128-Y132 VanDerWaalsContact O-N 3.07Å; L128-L267 HydrophobicContact CD1-CD2 3.22Å; L128-V269 VanDerWaalsContact CD2-O 3.3Å; L128-V269 WeakPolarHBondContact CD2-O 3.23Å; L128-C271 WeakPolarHBondContact CD2-O 3.29Å
129L96.4Very high93.6Very high0 Ų022.7 Ų22.70%011%0.112CC..Hα-helixtrans-64.2-43.5173.7-171.164.1000110.7L125 F126 Y132 H133 F186 F187 L190 T241 F245L125-L129 PolarHBondContact O-N 2.87Å; F126-L129 HydrophobicContact CD2-CD2 4.44Å; F126-L129 WeakPolarHBondContact O-CB 3.33Å; F126-L129 PolarHBondContact O-N 3.42Å; L129-Y132 PolarHBondContact O-N 3.18Å; L129-H133 PolarHBondContact O-CD2 3.08Å; L129-H133 PolarHBondContact O-N 3.09Å; L129-F186 HydrophobicContact CD2-CB 3.91Å; L129-F187 HydrophobicContact CD1-CD1 4.37Å; L129-F187 HydrophobicContact CD1-CE1 3.72Å; L129-F187 HydrophobicContact CD1-CZ 4.19Å; L129-F187 HydrophobicContact CD2-CD1 3.95Å; L129-F187 HydrophobicContact CD2-CE1 3.99Å; L129-F187 HydrophobicContact CD2-CG 4.32Å; L129-F187 HydrophobicContact CD2-CZ 4.41Å; L129-F187 HydrophobicContact CG-CE1 4.48Å; L129-L190 HydrophobicContact CD1-CD2 4.49Å; L129-L190 HydrophobicContact CD2-CB 4.11Å; L129-L190 HydrophobicContact CD2-CD2 4.18Å; L129-L190 HydrophobicContact CG-CD1 4.47Å; L129-L190 HydrophobicContact CG-CD2 4.03Å; L129-T241 HydrophobicContact CD1-CG2 3.73Å; L129-F245 HydrophobicContact CB-CE2 3.85Å; L129-F245 HydrophobicContact CB-CZ 4.11Å; L129-F245 HydrophobicContact CD1-CD2 4.47Å; L129-F245 HydrophobicContact CD1-CE2 4.15Å; L129-F245 HydrophobicContact CD1-CZ 4.27Å; L129-F245 HydrophobicContact CD2-CE1 4.5Å; L129-F245 HydrophobicContact CD2-CZ 3.98Å; L129-F245 HydrophobicContact CG-CE2 4.39Å; L129-F245 HydrophobicContact CG-CZ 4.35Å
130L96.1Very high94.1Very high1 Ų121 Ų211%0.00510%0.102CC..Hα-helixtrans-63.6-46179.1-169.166.5000112.2F126 R127 L128 Y132 H133 E134 L137 L141 L190 M193F126-L130 PolarHBondContact O-N 3.18Å; R127-L130 PolarHBondContact O-N 3.23Å; L128-L130 VanDerWaalsContact C-N 3.33Å; L130-Y132 VanDerWaalsContact C-N 3.27Å; L130-Y132 PolarHBondContact O-N 2.63Å; L130-H133 PolarHBondContact O-N 3.38Å; L130-E134 HydrophobicContact CD1-CB 4.43Å; L130-E134 CarbonylContact O-C 3.58Å; L130-E134 VanDerWaalsContact O-C 3.23Å; L130-E134 WeakPolarHBondContact O-CA 3.5Å; L130-E134 PolarHBondContact O-N 2.9Å; L130-L137 HydrophobicContact CD1-CD2 4.15Å; L130-L141 HydrophobicContact CD2-CD1 3.51Å; L130-L190 HydrophobicContact CD1-CD1 3.81Å; L130-M193 HydrophobicContact CD1-CB 4.08Å; L130-M193 HydrophobicContact CD2-CE 4.37Å
131I94.4Very high94.5Very high11 Ų1116.5 Ų16.56%0.0568%0.081CC..Hα-helixtrans-67.9-29178.2-159.7174.4000112.3R127 L128 P135 L369R127-I131 PolarHBondContact O-N 2.66Å; L128-I131 WeakPolarHBondContact O-CG2 3.38Å; I131-P135 HydrophobicContact CG1-CB 4.43Å; I131-L369 HydrophobicContact CD1-CB 4.4Å; I131-L369 HydrophobicContact CD1-CD1 3.84Å; I131-L369 HydrophobicContact CD1-CD2 3.74Å; I131-L369 HydrophobicContact CD1-CG 4.19Å; I131-L369 HydrophobicContact CG1-CD2 3.95Å
132Y96.4Very high94.6Very high1 Ų116.1 Ų16.10%0.0048%0.081CC..Hα-helixtrans-67.8-42178-166.4-105000112.2L128 L129 L130 P242 L272 H346 Y375 I376L128-Y132 VanDerWaalsContact O-CB 3.26Å; L128-Y132 WeakPolarHBondContact O-CB 3.39Å; L128-Y132 PolarHBondContact O-N 3.01Å; L128-Y132 VanDerWaalsContact O-N 3.07Å; L129-Y132 PolarHBondContact O-N 3.18Å; L130-Y132 VanDerWaalsContact C-N 3.27Å; L130-Y132 PolarHBondContact O-N 2.63Å; Y132-P242 HydrophobicContact CE1-CG 4.39Å; Y132-P242 WeakPolarHBondContact OH-CD 3.28Å; Y132-P242 WeakPolarHBondContact OH-CG 3.34Å; Y132-L272 HydrophobicContact CD2-CB 3.94Å; Y132-L272 HydrophobicContact CD2-CD2 4.3Å; Y132-L272 HydrophobicContact CE2-CB 4.36Å; Y132-L272 HydrophobicContact CE2-CD2 4.38Å; Y132-L272 HydrophobicContact CG-CD2 4.43Å; Y132-H346 AromaticContact CE1-CE1 3.93Å; Y132-H346 AromaticContact CE1-ND1 3.57Å; Y132-H346 AromaticContact CZ-ND1 3.46Å; Y132-H346 PolarHBondContact OH-ND1 3.42Å; Y132-Y375 AromaticContact CD1-CD1 3.85Å; Y132-Y375 HydrophobicContact CD1-CD1 3.85Å; Y132-Y375 AromaticContact CE1-CD1 3.64Å; Y132-Y375 HydrophobicContact CE1-CD1 3.64Å; Y132-Y375 HydrophobicContact CE1-CE1 4.45Å; Y132-Y375 HydrophobicContact CE1-CG 4.37Å; Y132-Y375 WeakPolarHBondContact CE2-O 3.39Å; Y132-Y375 WeakPolarHBondContact O-CD1 3.5Å; Y132-Y375 PolarHBondContact O-N 3.07Å; Y132-I376 WeakPolarHBondContact CD2-O 3.42Å
133H96.3Very high94.6Very high1 Ų119.8 Ų19.81%0.00511%0.107CC..Hα-helixtrans-95.3-41-177.2-69.8-76000113.7L129 L130 L190 I194 Y237 R240 T241 R374 Y375L129-H133 PolarHBondContact O-CD2 3.08Å; L129-H133 PolarHBondContact O-N 3.09Å; L130-H133 PolarHBondContact O-N 3.38Å; H133-L190 HydrophobicContact CB-CD1 4.25Å; H133-L190 HydrophobicContact CB-CD2 4.15Å; H133-I194 HydrophobicContact CB-CD1 4.37Å; H133-Y237 HydrophobicContact CB-CD1 4.46Å; H133-Y237 HydrophobicContact CB-CE1 4.5Å; H133-Y237 AromaticContact CE1-CD1 3.89Å; H133-Y237 AromaticContact CG-CD1 3.97Å; H133-Y237 AromaticContact ND1-CD1 3.47Å; H133-Y237 WeakPolarHBondContact ND1-CD1 3.4Å; H133-R240 PolarHBondContact CE1-O 3.48Å; H133-T241 PolarHBondContact CE1-OG1 3Å; H133-T241 PolarHBondContact NE2-OG1 3.12Å; H133-R374 WeakPolarHBondContact O-CD 3.14Å; H133-R374 WeakPolarHBondContact O-CG 3.43Å; H133-R374 PolarHBondContact O-NE 3.41Å; H133-Y375 AromaticContact CE1-CE1 3.98Å; H133-Y375 AromaticContact ND1-CE1 3.49Å; H133-Y375 WeakPolarHBondContact ND1-CE1 3.38Å
134E95.6Very high94.7Very high8 Ų821.4 Ų21.44%0.03712%0.115CC..  trans-130.773.3-177.4-74.3-55.3137.200112.3L130 E136 L137 S138 I194 K197 R374L130-E134 HydrophobicContact CD1-CB 4.43Å; L130-E134 CarbonylContact O-C 3.58Å; L130-E134 VanDerWaalsContact O-C 3.23Å; L130-E134 WeakPolarHBondContact O-CA 3.5Å; L130-E134 PolarHBondContact O-N 2.9Å; E134-E136 VanDerWaalsContact C-N 3.3Å; E134-E136 PolarHBondContact O-N 3.48Å; E134-L137 HydrophobicContact CB-CB 3.97Å; E134-L137 PolarHBondContact O-N 2.98Å; E134-S138 PolarHBondContact O-N 3.34Å; E134-I194 HydrophobicContact CG-CB 4.46Å; E134-I194 HydrophobicContact CG-CD1 3.91Å; E134-I194 HydrophobicContact CG-CG1 3.61Å; E134-I194 HydrophobicContact CG-CG2 4.43Å; E134-K197 WeakPolarHBondContact OE2-CD 3.46Å; E134-K197 WeakPolarHBondContact OE2-CE 3.22Å; E134-K197 IonicContact OE2-NZ 3.93Å; E134-K197 PolarHBondContact OE2-NZ 3.34Å; E134-R374 IonicContact OE1-CZ 3.62Å; E134-R374 IonicContact OE1-NE 3.54Å; E134-R374 IonicContact OE1-NH2 3.07Å; E134-R374 PolarHBondContact OE1-NH2 3.15Å; E134-R374 IonicContact OE2-NH2 2.72Å; E134-R374 PolarHBondContact OE2-NH2 3.09Å
135P94.9Very high94.8Very high3 Ų325.9 Ų25.92%0.01913%0.134CC..Hα-helixtrans-64.9-30.7-177.727.9-37.5000113.2I131 T139 Q372 R374I131-P135 HydrophobicContact CG1-CB 4.43Å; P135-T139 VanDerWaalsContact O-CB 3.31Å; P135-T139 WeakPolarHBondContact O-CB 3.49Å; P135-T139 PolarHBondContact O-N 3.06Å; P135-T139 PolarHBondContact O-OG1 3.14Å; P135-Q372 HydrophobicContact CB-CB 4.44Å; P135-Q372 VanDerWaalsContact CG-C 3.44Å; P135-Q372 HydrophobicContact CG-CB 4.25Å; P135-Q372 WeakPolarHBondContact CG-O 3.33Å; P135-R374 HydrophobicContact CG-CG 4.02Å
136E95.1Very high94.9Very high73 Ų7325.8 Ų25.834%0.34113%0.133SC..Hα-helixtrans-62.1-49.7173.8-179.2-175.8-164.800111.3E134 T139 F140 K197 L201 Q372E134-E136 VanDerWaalsContact C-N 3.3Å; E134-E136 PolarHBondContact O-N 3.48Å; E136-T139 WeakPolarHBondContact O-CB 3.36Å; E136-T139 PolarHBondContact O-N 3.12Å; E136-F140 PolarHBondContact O-N 3.09Å; E136-K197 WeakPolarHBondContact OE2-CE 3.31Å; E136-K197 IonicContact OE2-NZ 3.42Å; E136-K197 PolarHBondContact OE2-NZ 3.04Å; E136-L201 HydrophobicContact CG-CD1 4.38Å; E136-Q372 HydrophobicContact CB-CG 4.46Å
137L95.8Very high94.7Very high0 Ų027.4 Ų27.40%015%0.145CC..Hα-helixtrans-64-43.1177.9-178.256.4000110.9L130 E134 T139 F140 L141 M193 K197 I200 L201L130-L137 HydrophobicContact CD1-CD2 4.15Å; E134-L137 HydrophobicContact CB-CB 3.97Å; E134-L137 PolarHBondContact O-N 2.98Å; L137-T139 VanDerWaalsContact C-N 3.3Å; L137-T139 PolarHBondContact O-N 3.04Å; L137-F140 PolarHBondContact O-N 3.12Å; L137-L141 HydrophobicContact CD1-CG 4.49Å; L137-L141 HydrophobicContact CG-CD1 4.38Å; L137-L141 VanDerWaalsContact O-CG 3.32Å; L137-L141 WeakPolarHBondContact O-CG 3.49Å; L137-L141 PolarHBondContact O-N 3.29Å; L137-M193 HydrophobicContact CD2-CB 4.2Å; L137-M193 HydrophobicContact CD2-CE 4.28Å; L137-K197 HydrophobicContact CB-CG 4.43Å; L137-K197 HydrophobicContact CD2-CB 4.25Å; L137-K197 HydrophobicContact CD2-CG 4.43Å; L137-I200 HydrophobicContact CD1-CB 4.07Å; L137-I200 HydrophobicContact CD1-CD1 4.16Å; L137-I200 HydrophobicContact CD1-CG2 3.76Å; L137-I200 HydrophobicContact CD2-CD1 4.47Å; L137-L201 HydrophobicContact CD1-CD2 4.42Å
138S94.5Very high94.7Very high3 Ų325.4 Ų25.42%0.02114%0.137CC..Hα-helixtrans-58.6-42.8174.3-172.50000111.8E134 L141 D142E134-S138 PolarHBondContact O-N 3.34Å; S138-L141 PolarHBondContact O-N 3.01Å; S138-D142 WeakPolarHBondContact O-CB 3.25Å; S138-D142 PolarHBondContact O-N 3.39Å
139T93.2Very high94.7Very high52 Ų5225.7 Ų25.732%0.31914%0.14SC..Hα-helixtrans-64.3-42179.1-60.50000111.5P135 E136 L137 D142 S143P135-T139 VanDerWaalsContact O-CB 3.31Å; P135-T139 WeakPolarHBondContact O-CB 3.49Å; P135-T139 PolarHBondContact O-N 3.06Å; P135-T139 PolarHBondContact O-OG1 3.14Å; E136-T139 WeakPolarHBondContact O-CB 3.36Å; E136-T139 PolarHBondContact O-N 3.12Å; L137-T139 VanDerWaalsContact C-N 3.3Å; L137-T139 PolarHBondContact O-N 3.04Å; T139-D142 PolarHBondContact O-N 3.13Å; T139-S143 WeakPolarHBondContact O-CB 3.43Å; T139-S143 PolarHBondContact O-N 2.87Å
140F95.8Very high94.5Very high21 Ų2129.2 Ų29.29%0.09216%0.162CC..Hα-helixtrans-58.4-50.6174.4176.4-93.1000111.1E136 L137 D142 S143 H144 I200 L201 E204 I211E136-F140 PolarHBondContact O-N 3.09Å; L137-F140 PolarHBondContact O-N 3.12Å; F140-D142 VanDerWaalsContact C-N 3.35Å; F140-D142 PolarHBondContact O-N 3.45Å; F140-S143 WeakPolarHBondContact O-CB 3.26Å; F140-S143 PolarHBondContact O-N 3.28Å; F140-S143 PolarHBondContact O-OG 2.92Å; F140-H144 AromaticContact CE1-CD2 3.92Å; F140-H144 AromaticContact CE2-CD2 3.73Å; F140-H144 AromaticContact CE2-NE2 3.53Å; F140-H144 AromaticContact CZ-CD2 3.63Å; F140-H144 AromaticContact CZ-NE2 3.56Å; F140-H144 PolarHBondContact O-CD2 3.4Å; F140-H144 PolarHBondContact O-N 3.04Å; F140-H144 VanDerWaalsContact O-N 3.16Å; F140-I200 HydrophobicContact CD1-CG2 3.95Å; F140-I200 HydrophobicContact CE1-CG2 3.72Å; F140-I200 WeakPolarHBondContact CZ-O 3.44Å; F140-L201 HydrophobicContact CB-CD2 3.55Å; F140-L201 HydrophobicContact CD1-CD2 4.18Å; F140-L201 HydrophobicContact CD2-CD2 3.79Å; F140-L201 HydrophobicContact CG-CD2 3.58Å; F140-E204 HydrophobicContact CE2-CB 4.15Å; F140-E204 HydrophobicContact CE2-CG 4.47Å; F140-I211 HydrophobicContact CZ-CD1 4.41Å
141L95.9Very high94.5Very high4 Ų429.3 Ų29.32%0.02116%0.162CC..Hα-helixtrans-60.8-43.6179.1-65171.9000111.9L130 L137 S138 S143 H144 H145 L146 Y151 M193 I200 I215L130-L141 HydrophobicContact CD2-CD1 3.51Å; L137-L141 HydrophobicContact CD1-CG 4.49Å; L137-L141 HydrophobicContact CG-CD1 4.38Å; L137-L141 VanDerWaalsContact O-CG 3.32Å; L137-L141 WeakPolarHBondContact O-CG 3.49Å; L137-L141 PolarHBondContact O-N 3.29Å; S138-L141 PolarHBondContact O-N 3.01Å; L141-S143 VanDerWaalsContact C-N 3.3Å; L141-S143 PolarHBondContact O-N 3.18Å; L141-H144 CarbonylContact O-C 3.49Å; L141-H144 PolarHBondContact O-N 3.47Å; L141-H144 VanDerWaalsContact O-N 3.15Å; L141-H145 PolarHBondContact O-N 3.23Å; L141-H145 VanDerWaalsContact O-N 3.09Å; L141-L146 HydrophobicContact CB-CB 4.24Å; L141-L146 HydrophobicContact CD2-CB 4.14Å; L141-L146 HydrophobicContact CD2-CD1 3.93Å; L141-L146 PolarHBondContact O-N 3.13Å; L141-Y151 HydrophobicContact CD1-CE1 4.45Å; L141-M193 HydrophobicContact CD1-CE 3.72Å; L141-I200 HydrophobicContact CD2-CG2 4.36Å; L141-I215 HydrophobicContact CD2-CD1 3.57Å
142D91.3Very high94.5Very high62 Ų6228.8 Ų28.833%0.33216%0.16SC..Hα-helixtrans-61.9-37.9177.4-80.1-33.7000112.3S138 T139 F140 H144 H145S138-D142 WeakPolarHBondContact O-CB 3.25Å; S138-D142 PolarHBondContact O-N 3.39Å; T139-D142 PolarHBondContact O-N 3.13Å; F140-D142 VanDerWaalsContact C-N 3.35Å; F140-D142 PolarHBondContact O-N 3.45Å; D142-H144 VanDerWaalsContact C-N 3.27Å; D142-H144 PolarHBondContact O-N 2.98Å; D142-H145 PolarHBondContact O-N 3.39Å; D142-H145 VanDerWaalsContact O-N 3.09Å; D142-H145 PolarHBondContact O-ND1 3.03Å
143S92.7Very high94.4Very high79 Ų7931.9 Ų31.955%0.55217%0.173SC*.Hα-helixtrans-65.7-30.3176.980.60000112.7T139 F140 L141T139-S143 WeakPolarHBondContact O-CB 3.43Å; T139-S143 PolarHBondContact O-N 2.87Å; F140-S143 WeakPolarHBondContact O-CB 3.26Å; F140-S143 PolarHBondContact O-N 3.28Å; F140-S143 PolarHBondContact O-OG 2.92Å; L141-S143 VanDerWaalsContact C-N 3.3Å; L141-S143 PolarHBondContact O-N 3.18Å
144H94.4Very high94.3Very high34 Ų3439.1 Ų39.116%0.15720%0.2CC..THydrogen-bonded Turntrans-916.1173.6-79-88.2000113.5F140 L141 D142 L146F140-H144 AromaticContact CE1-CD2 3.92Å; F140-H144 AromaticContact CE2-CD2 3.73Å; F140-H144 AromaticContact CE2-NE2 3.53Å; F140-H144 AromaticContact CZ-CD2 3.63Å; F140-H144 AromaticContact CZ-NE2 3.56Å; F140-H144 PolarHBondContact O-CD2 3.4Å; F140-H144 PolarHBondContact O-N 3.04Å; F140-H144 VanDerWaalsContact O-N 3.16Å; L141-H144 CarbonylContact O-C 3.49Å; L141-H144 PolarHBondContact O-N 3.47Å; L141-H144 VanDerWaalsContact O-N 3.15Å; D142-H144 VanDerWaalsContact C-N 3.27Å; D142-H144 PolarHBondContact O-N 2.98Å; H144-L146 HydrophobicContact CB-CD1 3.96Å; H144-L146 HydrophobicContact CB-CG 4.13Å; H144-L146 PolarHBondContact O-N 3.05Å
145H93.5Very high94.3Very high139 Ų13938.8 Ų38.864%0.64420%0.199SC*.THydrogen-bonded Turntrans60.824.5-178.3-55.1-34.3000114.9L141 D142 S147L141-H145 PolarHBondContact O-N 3.23Å; L141-H145 VanDerWaalsContact O-N 3.09Å; D142-H145 PolarHBondContact O-N 3.39Å; D142-H145 VanDerWaalsContact O-N 3.09Å; D142-H145 PolarHBondContact O-ND1 3.03Å; H145-S147 PolarHBondContact O-N 3.07Å
146L95Very high94.4Very high2 Ų238.6 Ų38.61%0.0120%0.198CC..  trans-88.298.4-179.7-69.4170.5000111.4L141 H144 E208 I211 A212 I215L141-L146 HydrophobicContact CB-CB 4.24Å; L141-L146 HydrophobicContact CD2-CB 4.14Å; L141-L146 HydrophobicContact CD2-CD1 3.93Å; L141-L146 PolarHBondContact O-N 3.13Å; H144-L146 HydrophobicContact CB-CD1 3.96Å; H144-L146 HydrophobicContact CB-CG 4.13Å; H144-L146 PolarHBondContact O-N 3.05Å; L146-E208 HydrophobicContact CD2-CG 3.41Å; L146-E208 VanDerWaalsContact CD2-CG 3.41Å; L146-E208 HydrophobicContact CG-CG 4.02Å; L146-I211 HydrophobicContact CD1-CB 3.84Å; L146-I211 HydrophobicContact CD1-CG2 3.41Å; L146-I211 VanDerWaalsContact CD1-CG2 3.41Å; L146-A212 HydrophobicContact CD2-CB 3.79Å; L146-I215 HydrophobicContact CD1-CD1 4.47Å
147S92.4Very high94.3Very high34 Ų3435.5 Ų35.524%0.23818%0.183CC..  trans-75.6147.1166.5177.10000110.5H145 A149 T150 Y151H145-S147 PolarHBondContact O-N 3.07Å; S147-A149 PolarHBondContact O-N 3.49Å; S147-A149 VanDerWaalsContact O-N 3.09Å; S147-A149 PolarHBondContact OG-N 2.8Å; S147-T150 VanDerWaalsContact O-CB 3.31Å; S147-T150 WeakPolarHBondContact O-CB 3.49Å; S147-T150 PolarHBondContact O-N 2.97Å; S147-T150 PolarHBondContact O-OG1 3.12Å; S147-Y151 WeakPolarHBondContact O-CD1 2.86Å; S147-Y151 WeakPolarHBondContact O-CE1 3.35Å
148P95.1Very high94.3Very high3 Ų335.5 Ų35.52%0.01918%0.183CC..Hα-helixtrans-56.2-25.5171.3-2231.2000114.6S123 F126 R127 T150 Y151 S152S123-P148 WeakPolarHBondContact O-CG 3.13Å; F126-P148 HydrophobicContact CD1-CB 3.79Å; F126-P148 HydrophobicContact CD1-CG 4.16Å; R127-P148 HydrophobicContact CB-CG 3.89Å; R127-P148 HydrophobicContact CG-CG 4.41Å; P148-T150 PolarHBondContact O-N 3.01Å; P148-Y151 VanDerWaalsContact CA-CZ 3.49Å; P148-Y151 HydrophobicContact CB-CE1 4.38Å; P148-Y151 HydrophobicContact CB-CE2 4.19Å; P148-Y151 PolarHBondContact O-N 3Å; P148-Y151 VanDerWaalsContact O-N 3.13Å; P148-S152 PolarHBondContact O-N 2.97Å; P148-S152 PolarHBondContact O-OG 3.3Å
149A93Very high94.4Very high9 Ų935.7 Ų35.77%0.07418%0.184CC..Hα-helixtrans-58.6-21.6172.800000113.3E120 S123 S147 K153E120-A149 HydrophobicContact CG-CB 4.06Å; S123-A149 WeakPolarHBondContact OG-CA 3.43Å; S123-A149 PolarHBondContact OG-N 3.28Å; S147-A149 PolarHBondContact O-N 3.49Å; S147-A149 VanDerWaalsContact O-N 3.09Å; S147-A149 PolarHBondContact OG-N 2.8Å; A149-K153 VanDerWaalsContact O-CD 3.24Å; A149-K153 WeakPolarHBondContact O-CD 3.46Å; A149-K153 WeakPolarHBondContact O-CE 3.22Å; A149-K153 VanDerWaalsContact O-CG 3.27Å; A149-K153 WeakPolarHBondContact O-CG 3.32Å
150T93.8Very high94.5Very high73 Ų7333.3 Ų33.345%0.44817%0.169SC..Hα-helixtrans-80.6-30.7179.3-49.40000112.6S147 P148 A212S147-T150 VanDerWaalsContact O-CB 3.31Å; S147-T150 WeakPolarHBondContact O-CB 3.49Å; S147-T150 PolarHBondContact O-N 2.97Å; S147-T150 PolarHBondContact O-OG1 3.12Å; P148-T150 PolarHBondContact O-N 3.01Å; T150-A212 HydrophobicContact CG2-CB 3.99Å
151Y95.1Very high94.4Very high4 Ų433.2 Ų33.22%0.01617%0.171CC..Hα-helixtrans-124.9-22.7-17060.7-105.2000115.4F126 L141 S147 P148 W155 M193 I215 T216F126-Y151 HydrophobicContact CE1-CE2 4.21Å; L141-Y151 HydrophobicContact CD1-CE1 4.45Å; S147-Y151 WeakPolarHBondContact O-CD1 2.86Å; S147-Y151 WeakPolarHBondContact O-CE1 3.35Å; P148-Y151 VanDerWaalsContact CA-CZ 3.49Å; P148-Y151 HydrophobicContact CB-CE1 4.38Å; P148-Y151 HydrophobicContact CB-CE2 4.19Å; P148-Y151 PolarHBondContact O-N 3Å; P148-Y151 VanDerWaalsContact O-N 3.13Å; Y151-W155 AromaticContact CD2-CH2 3.72Å; Y151-W155 HydrophobicContact CD2-CH2 3.72Å; Y151-W155 HydrophobicContact CD2-CZ2 4.18Å; Y151-W155 HydrophobicContact CD2-CZ3 4.12Å; Y151-W155 HydrophobicContact CE2-CH2 4Å; Y151-W155 HydrophobicContact CE2-CZ3 4.12Å; Y151-M193 HydrophobicContact CE2-CE 4.13Å; Y151-M193 HydrophobicContact CE2-SD 4.16Å; Y151-I215 HydrophobicContact CD1-CD1 4.45Å; Y151-I215 HydrophobicContact CD1-CG2 4.23Å; Y151-I215 HydrophobicContact CD2-CB 4.44Å; Y151-I215 HydrophobicContact CD2-CG2 3.29Å; Y151-I215 HydrophobicContact CE2-CG2 3.82Å; Y151-I215 HydrophobicContact CG-CB 4.23Å; Y151-I215 HydrophobicContact CG-CG2 3.53Å; Y151-T216 WeakPolarHBondContact CA-OG1 3.4Å; Y151-T216 PolarHBondContact O-OG1 3.23Å
152S95.6Very high94.3Very high0 Ų035 Ų350%018%0.184CC..SBendtrans-105-4.7-171.977.80000114.8P148 R154 W155 F156P148-S152 PolarHBondContact O-N 2.97Å; P148-S152 PolarHBondContact O-OG 3.3Å; S152-R154 VanDerWaalsContact C-N 3.26Å; S152-R154 PolarHBondContact O-N 3.1Å; S152-W155 VanDerWaalsContact CB-CE3 3.43Å; S152-W155 VanDerWaalsContact O-CB 3.28Å; S152-W155 WeakPolarHBondContact O-CB 3.32Å; S152-W155 PolarHBondContact O-N 2.88Å; S152-F156 PolarHBondContact O-N 3.1Å; S152-F156 WeakPolarHBondContact OG-CE2 3.23Å
153K93.3Very high94.4Very high66 Ų6632.8 Ų32.829%0.28717%0.173SC..Hα-helixtrans-51.5-46.5-179.1-78.9-179179.9-165.80112.4W117 A149 W155 F156 N157W117-K153 WeakPolarHBondContact O-CE 3.42Å; W117-K153 PolarHBondContact O-NZ 3.36Å; A149-K153 VanDerWaalsContact O-CD 3.24Å; A149-K153 WeakPolarHBondContact O-CD 3.46Å; A149-K153 WeakPolarHBondContact O-CE 3.22Å; A149-K153 VanDerWaalsContact O-CG 3.27Å; A149-K153 WeakPolarHBondContact O-CG 3.32Å; K153-W155 VanDerWaalsContact C-N 3.28Å; K153-W155 PolarHBondContact O-N 3.48Å; K153-F156 PolarHBondContact O-N 3.3Å; K153-N157 VanDerWaalsContact O-CG 3.24Å; K153-N157 PolarHBondContact O-N 3.28Å; K153-N157 PolarHBondContact O-OD1 2.9Å
154R93.8Very high94.5Very high153 Ų15329.8 Ų29.858%0.57715%0.152SC*.Hα-helixtrans-66.1-30-179.4-75.9-167.4-177.3163.73113.3S152 F156 N157 S158S152-R154 VanDerWaalsContact C-N 3.26Å; S152-R154 PolarHBondContact O-N 3.1Å; R154-F156 VanDerWaalsContact C-N 3.33Å; R154-N157 VanDerWaalsContact CA-OD1 3.23Å; R154-N157 WeakPolarHBondContact CA-OD1 3.41Å; R154-N157 PolarHBondContact O-OD1 3.07Å; R154-S158 WeakPolarHBondContact O-CB 3.28Å; R154-S158 PolarHBondContact O-N 3.31Å; R154-S158 PolarHBondContact O-OG 3.17Å
155W96.5Very high94.4Very high0 Ų033.4 Ų33.40%017%0.169CC..Hα-helixtrans-64.6-43.8177.5-55.3-10.5000110.6F126 Y151 S152 K153 L159 F160 A189 M193 I215 T216 P219F126-W155 HydrophobicContact CE1-CZ3 4.25Å; Y151-W155 AromaticContact CD2-CH2 3.72Å; Y151-W155 HydrophobicContact CD2-CH2 3.72Å; Y151-W155 HydrophobicContact CD2-CZ2 4.18Å; Y151-W155 HydrophobicContact CD2-CZ3 4.12Å; Y151-W155 HydrophobicContact CE2-CH2 4Å; Y151-W155 HydrophobicContact CE2-CZ3 4.12Å; S152-W155 VanDerWaalsContact CB-CE3 3.43Å; S152-W155 VanDerWaalsContact O-CB 3.28Å; S152-W155 WeakPolarHBondContact O-CB 3.32Å; S152-W155 PolarHBondContact O-N 2.88Å; K153-W155 VanDerWaalsContact C-N 3.28Å; K153-W155 PolarHBondContact O-N 3.48Å; W155-L159 CarbonylContact O-C 3.43Å; W155-L159 WeakPolarHBondContact O-CA 3.32Å; W155-L159 PolarHBondContact O-N 3.41Å; W155-F160 HydrophobicContact CB-CD1 3.76Å; W155-F160 HydrophobicContact CB-CE1 3.4Å; W155-F160 HydrophobicContact CB-CZ 3.91Å; W155-F160 AromaticContact CD2-CE1 3.94Å; W155-F160 HydrophobicContact CD2-CE1 3.94Å; W155-F160 HydrophobicContact CE3-CE1 4.3Å; W155-F160 AromaticContact CG-CD1 3.92Å; W155-F160 HydrophobicContact CG-CD1 3.92Å; W155-F160 AromaticContact CG-CE1 3.54Å; W155-F160 HydrophobicContact CG-CE1 3.54Å; W155-F160 HydrophobicContact CG-CZ 4.42Å; W155-F160 PolarHBondContact O-N 3Å; W155-A189 HydrophobicContact CE3-CB 3.72Å; W155-A189 HydrophobicContact CZ3-CB 4.05Å; W155-M193 HydrophobicContact CH2-CG 4.25Å; W155-M193 HydrophobicContact CH2-SD 3.75Å; W155-M193 HydrophobicContact CZ3-CG 4.19Å; W155-M193 HydrophobicContact CZ3-SD 4.25Å; W155-I215 HydrophobicContact CH2-CG2 3.72Å; W155-I215 HydrophobicContact CZ2-CG2 3.93Å; W155-I215 VanDerWaalsContact CZ2-O 3.3Å; W155-I215 WeakPolarHBondContact CZ2-O 3.32Å; W155-T216 PolarHBondContact NE1-O 2.93Å; W155-P219 HydrophobicContact CD2-CG 4.3Å; W155-P219 HydrophobicContact CG-CG 4.36Å; W155-P219 HydrophobicContact CZ2-CG 4.25Å
156F96.1Very high94.3Very high0 Ų030.7 Ų30.70%016%0.159CC..Hα-helixtrans-79.9-48.1-177-53.4-35.8000113.1A122 F126 S152 K153 R154 S158 I185 F186 A189A122-F156 HydrophobicContact CB-CD2 4.38Å; F126-F156 HydrophobicContact CB-CE2 4.26Å; F126-F156 HydrophobicContact CB-CZ 3.9Å; F126-F156 AromaticContact CD1-CZ 3.96Å; F126-F156 HydrophobicContact CD1-CZ 3.96Å; F126-F156 HydrophobicContact CD2-CZ 4.33Å; F126-F156 AromaticContact CG-CZ 3.79Å; F126-F156 HydrophobicContact CG-CZ 3.79Å; S152-F156 PolarHBondContact O-N 3.1Å; S152-F156 WeakPolarHBondContact OG-CE2 3.23Å; K153-F156 PolarHBondContact O-N 3.3Å; R154-F156 VanDerWaalsContact C-N 3.33Å; F156-S158 VanDerWaalsContact C-N 3.29Å; F156-S158 PolarHBondContact O-N 2.91Å; F156-I185 HydrophobicContact CD1-CG1 3.91Å; F156-I185 HydrophobicContact CD1-CG2 4.39Å; F156-F186 AromaticContact CE1-CD1 3.92Å; F156-F186 HydrophobicContact CE1-CD1 3.92Å; F156-F186 HydrophobicContact CE1-CE1 4.23Å; F156-F186 HydrophobicContact CE2-CD1 4.44Å; F156-F186 HydrophobicContact CE2-CE1 4.18Å; F156-F186 AromaticContact CZ-CD1 3.83Å; F156-F186 HydrophobicContact CZ-CD1 3.83Å; F156-F186 HydrophobicContact CZ-CE1 4.02Å; F156-A189 HydrophobicContact CE1-CB 3.87Å; F156-A189 HydrophobicContact CZ-CB 4.3Å
157N94.6Very high94.2Very high7 Ų735 Ų354%0.03718%0.182CC..Hα-helixtrans-73.4-19.6-17374.3-2.5000113.9E80 I112 K153 R154E80-N157 PolarHBondContact O-ND2 2.91Å; I112-N157 WeakPolarHBondContact CD1-O 3.29Å; K153-N157 VanDerWaalsContact O-CG 3.24Å; K153-N157 PolarHBondContact O-N 3.28Å; K153-N157 PolarHBondContact O-OD1 2.9Å; R154-N157 VanDerWaalsContact CA-OD1 3.23Å; R154-N157 WeakPolarHBondContact CA-OD1 3.41Å; R154-N157 PolarHBondContact O-OD1 3.07Å
158S94.8Very high94.3Very high0 Ų033.5 Ų33.50%017%0.171CC..THydrogen-bonded Turntrans-115.43.7179.575.80000113.3R154 F156 F160 S161 S162R154-S158 WeakPolarHBondContact O-CB 3.28Å; R154-S158 PolarHBondContact O-N 3.31Å; R154-S158 PolarHBondContact O-OG 3.17Å; F156-S158 VanDerWaalsContact C-N 3.29Å; F156-S158 PolarHBondContact O-N 2.91Å; S158-F160 VanDerWaalsContact C-N 3.26Å; S158-F160 PolarHBondContact O-N 3.37Å; S158-S161 VanDerWaalsContact O-CB 3.24Å; S158-S161 WeakPolarHBondContact O-CB 3.49Å; S158-S161 PolarHBondContact O-N 2.59Å; S158-S161 PolarHBondContact O-OG 3.44Å; S158-S162 WeakPolarHBondContact OG-CB 3.42Å; S158-S162 PolarHBondContact OG-N 3.37Å; S158-S162 PolarHBondContact OG-OG 2.91Å
159L95.7Very high94.2Very high8 Ų833.4 Ų33.44%0.04217%0.171CC..THydrogen-bonded Turntrans51.247.1-174.6-53.4-178.9000111.8L86 L107 I112 W155 S161 L173 Y176 I185L86-L159 HydrophobicContact CD1-CD1 4.14Å; L86-L159 HydrophobicContact CD1-CG 4.5Å; L107-L159 HydrophobicContact CD2-CD1 4.17Å; I112-L159 HydrophobicContact CD1-CG 4.31Å; I112-L159 HydrophobicContact CG1-CD1 4.34Å; I112-L159 HydrophobicContact CG1-CD2 3.73Å; I112-L159 HydrophobicContact CG1-CG 3.93Å; W155-L159 CarbonylContact O-C 3.43Å; W155-L159 WeakPolarHBondContact O-CA 3.32Å; W155-L159 PolarHBondContact O-N 3.41Å; L159-S161 PolarHBondContact O-N 3.37Å; L159-L173 HydrophobicContact CD1-CD1 4.13Å; L159-Y176 HydrophobicContact CD2-CE1 4Å; L159-I185 HydrophobicContact CD2-CD1 4.1Å
160F95.9Very high94.2Very high2 Ų234.5 Ų34.51%0.00918%0.175CC..THydrogen-bonded Turntrans60.61.1-172.9-60.7-80.1000116.9W155 S158 S162 S163 C164 L172 I185 M188 A189 I192 P219W155-F160 HydrophobicContact CB-CD1 3.76Å; W155-F160 HydrophobicContact CB-CE1 3.4Å; W155-F160 HydrophobicContact CB-CZ 3.91Å; W155-F160 AromaticContact CD2-CE1 3.94Å; W155-F160 HydrophobicContact CD2-CE1 3.94Å; W155-F160 HydrophobicContact CE3-CE1 4.3Å; W155-F160 AromaticContact CG-CD1 3.92Å; W155-F160 HydrophobicContact CG-CD1 3.92Å; W155-F160 AromaticContact CG-CE1 3.54Å; W155-F160 HydrophobicContact CG-CE1 3.54Å; W155-F160 HydrophobicContact CG-CZ 4.42Å; W155-F160 PolarHBondContact O-N 3Å; S158-F160 VanDerWaalsContact C-N 3.26Å; S158-F160 PolarHBondContact O-N 3.37Å; F160-S162 VanDerWaalsContact C-N 3.26Å; F160-S162 PolarHBondContact O-N 3.2Å; F160-S163 PolarHBondContact O-N 2.82Å; F160-C164 PolarHBondContact O-N 2.96Å; F160-L172 HydrophobicContact CB-CD1 4.25Å; F160-I185 HydrophobicContact CD2-CD1 3.56Å; F160-I185 HydrophobicContact CE2-CD1 3.33Å; F160-I185 HydrophobicContact CE2-CG1 4.07Å; F160-I185 HydrophobicContact CZ-CD1 4.4Å; F160-M188 HydrophobicContact CD2-SD 4.43Å; F160-M188 HydrophobicContact CE2-CB 3.69Å; F160-M188 HydrophobicContact CE2-SD 4.05Å; F160-M188 HydrophobicContact CZ-CB 4.02Å; F160-A189 HydrophobicContact CZ-CB 4.21Å; F160-I192 HydrophobicContact CD1-CD1 4.3Å; F160-I192 HydrophobicContact CE1-CD1 3.61Å; F160-I192 HydrophobicContact CZ-CD1 3.94Å; F160-P219 HydrophobicContact CD1-CB 3.87Å; F160-P219 HydrophobicContact CD1-CG 3.82Å; F160-P219 HydrophobicContact CE1-CB 4.32Å; F160-P219 HydrophobicContact CE1-CG 3.92Å
161S93.5Very high94.1Very high18 Ų1834.3 Ų34.313%0.12617%0.168CC..THydrogen-bonded Turntrans-62.5-31.5-176.376.50000113.7D85 S158 L159 S163D85-S161 PolarHBondContact O-OG 2.7Å; S158-S161 VanDerWaalsContact O-CB 3.24Å; S158-S161 WeakPolarHBondContact O-CB 3.49Å; S158-S161 PolarHBondContact O-N 2.59Å; S158-S161 PolarHBondContact O-OG 3.44Å; L159-S161 PolarHBondContact O-N 3.37Å; S161-S163 VanDerWaalsContact C-N 3.32Å
162S93.1Very high94.1Very high43 Ų4334.4 Ų34.430%0.30117%0.169SC..THydrogen-bonded Turntrans-78.3-15.4175.164.10000114S158 F160S158-S162 WeakPolarHBondContact OG-CB 3.42Å; S158-S162 PolarHBondContact OG-N 3.37Å; S158-S162 PolarHBondContact OG-OG 2.91Å; F160-S162 VanDerWaalsContact C-N 3.26Å; F160-S162 PolarHBondContact O-N 3.2Å
163S94.4Very high94Very high15 Ų1534.8 Ų34.811%0.10517%0.171CC..THydrogen-bonded Turntrans-112.7-19.2-169.2-54.60000113.1F160 S161 A220F160-S163 PolarHBondContact O-N 2.82Å; S161-S163 VanDerWaalsContact C-N 3.32Å; S163-A220 VanDerWaalsContact O-CA 3.23Å; S163-A220 WeakPolarHBondContact O-CA 3.33Å; S163-A220 VanDerWaalsContact O-CB 3.32Å; S163-A220 WeakPolarHBondContact O-CB 3.23Å; S163-A220 PolarHBondContact O-N 2.74Å; S163-A220 VanDerWaalsContact O-N 3.09Å
164C94.7Very high93.9Very high15 Ų1532.6 Ų32.610%0.10116%0.162CC..SBendtrans-110.9163.5178.8-68.10000111.6F160 V168 A169 P219F160-C164 PolarHBondContact O-N 2.96Å; C164-V168 HydrophobicContact CB-CB 4.24Å; C164-V168 HydrophobicContact CB-CG1 4.13Å; C164-A169 HydrophobicContact CB-CB 4.27Å; C164-P219 VanDerWaalsContact SG-CB 3.53Å; C164-P219 PolarHBondContact SG-O 2.95Å; C164-P219 VanDerWaalsContact SG-O 3.38Å
165Q92.9Very high93.7Very high111 Ų11125.8 Ų25.852%0.51914%0.138SC..  trans-65.8153.6166.8-61.8-1775.700110.5N167 V168 A169Q165-N167 PolarHBondContact O-N 3.42Å; Q165-V168 HydrophobicContact CB-CG2 4.17Å; Q165-V168 WeakPolarHBondContact O-CB 3.37Å; Q165-V168 PolarHBondContact O-N 3.46Å; Q165-V168 VanDerWaalsContact O-N 3.15Å; Q165-A169 PolarHBondContact O-N 3.45Å
166L91Very high93.6Very high82 Ų8226 Ų2643%0.42914%0.138SC..Hα-helixtrans-54.9-46.7-173.8-179.763.5000113.2L89 A92 V168 A169 L170L89-L166 HydrophobicContact CD1-CD1 3.72Å; A92-L166 HydrophobicContact CB-CD1 4.11Å; A92-L166 HydrophobicContact CB-CD2 4.04Å; L166-V168 VanDerWaalsContact C-N 3.35Å; L166-V168 PolarHBondContact O-N 3.19Å; L166-A169 PolarHBondContact O-N 3.23Å; L166-L170 HydrophobicContact CD1-CD1 4.32Å; L166-L170 HydrophobicContact CD1-CG 4.32Å; L166-L170 HydrophobicContact CG-CD1 4.15Å; L166-L170 WeakPolarHBondContact O-CB 3.48Å; L166-L170 WeakPolarHBondContact O-CG 3.44Å; L166-L170 PolarHBondContact O-N 2.92Å
167N92.1Very high93.4Very high92 Ų9226 Ų2649%0.49214%0.139SC..Hα-helixtrans-63.9-42.1-178.9-63.7-2.8000111.7Q165 L170 K171 E224Q165-N167 PolarHBondContact O-N 3.42Å; N167-L170 PolarHBondContact O-N 3.06Å; N167-K171 WeakPolarHBondContact O-CB 3.38Å; N167-K171 PolarHBondContact O-N 3.5Å; N167-E224 WeakPolarHBondContact CB-OE2 3.2Å
168V94.7Very high93.3Very high2 Ų230.5 Ų30.51%0.01216%0.16CC..Hα-helixtrans-63.3-46.1176.8-177.50000110.2C164 Q165 L166 L170 K171 L172 L222 E224 I227C164-V168 HydrophobicContact CB-CB 4.24Å; C164-V168 HydrophobicContact CB-CG1 4.13Å; Q165-V168 HydrophobicContact CB-CG2 4.17Å; Q165-V168 WeakPolarHBondContact O-CB 3.37Å; Q165-V168 PolarHBondContact O-N 3.46Å; Q165-V168 VanDerWaalsContact O-N 3.15Å; L166-V168 VanDerWaalsContact C-N 3.35Å; L166-V168 PolarHBondContact O-N 3.19Å; V168-L170 VanDerWaalsContact C-N 3.34Å; V168-L170 PolarHBondContact O-N 3.19Å; V168-K171 PolarHBondContact O-N 2.9Å; V168-L172 HydrophobicContact CG1-CD1 4.23Å; V168-L172 HydrophobicContact CG1-CG 4.5Å; V168-L172 WeakPolarHBondContact O-CB 3.2Å; V168-L172 WeakPolarHBondContact O-CG 3.35Å; V168-L172 PolarHBondContact O-N 3.22Å; V168-L222 HydrophobicContact CG1-CB 4.1Å; V168-L222 HydrophobicContact CG1-CD2 3.87Å; V168-L222 HydrophobicContact CG1-CG 3.96Å; V168-L222 WeakPolarHBondContact CG2-O 3.38Å; V168-E224 HydrophobicContact CG2-CB 4.44Å; V168-I227 HydrophobicContact CG1-CD1 3.96Å
169A94.5Very high93Very high1 Ų134.4 Ų34.41%0.00818%0.178CC..Hα-helixtrans-62.9-39.2177.400000112.4L89 C164 Q165 L166 L173L89-A169 HydrophobicContact CD1-CB 3.73Å; C164-A169 HydrophobicContact CB-CB 4.27Å; Q165-A169 PolarHBondContact O-N 3.45Å; L166-A169 PolarHBondContact O-N 3.23Å; A169-L173 WeakPolarHBondContact O-CB 3.34Å; A169-L173 PolarHBondContact O-N 3.06Å
170L92.5Very high92.8Very high33 Ų3336.8 Ų36.817%0.17320%0.199CC..Hα-helixtrans-65.3-43.8175.4-75.1172.8000111.7L89 L93 L166 N167 V168 L173 D174L89-L170 HydrophobicContact CD1-CB 4.46Å; L89-L170 HydrophobicContact CD1-CD2 3.5Å; L89-L170 VanDerWaalsContact CD1-CD2 3.5Å; L89-L170 HydrophobicContact CD1-CG 3.61Å; L89-L170 HydrophobicContact CG-CD2 3.97Å; L93-L170 HydrophobicContact CD2-CD2 3.78Å; L93-L170 HydrophobicContact CG-CD2 4.19Å; L166-L170 HydrophobicContact CD1-CD1 4.32Å; L166-L170 HydrophobicContact CD1-CG 4.32Å; L166-L170 HydrophobicContact CG-CD1 4.15Å; L166-L170 WeakPolarHBondContact O-CB 3.48Å; L166-L170 WeakPolarHBondContact O-CG 3.44Å; L166-L170 PolarHBondContact O-N 2.92Å; N167-L170 PolarHBondContact O-N 3.06Å; V168-L170 VanDerWaalsContact C-N 3.34Å; V168-L170 PolarHBondContact O-N 3.19Å; L170-L173 PolarHBondContact O-N 3.25Å; L170-D174 PolarHBondContact O-N 3.28Å
171K92.2Very high92.7Very high68 Ų6838.1 Ų38.130%0.29621%0.206SC..Hα-helixtrans-68.7-40.1178.5-171.968.2-179.9179.40111.9N167 V168 L173 D174 V175 I227N167-K171 WeakPolarHBondContact O-CB 3.38Å; N167-K171 PolarHBondContact O-N 3.5Å; V168-K171 PolarHBondContact O-N 2.9Å; K171-L173 VanDerWaalsContact C-N 3.35Å; K171-D174 PolarHBondContact O-N 3.4Å; K171-V175 WeakPolarHBondContact O-CG2 3.44Å; K171-V175 PolarHBondContact O-N 2.98Å; K171-V175 VanDerWaalsContact O-N 3.13Å; K171-I227 HydrophobicContact CB-CG1 4.34Å; K171-I227 HydrophobicContact CG-CB 4.08Å; K171-I227 HydrophobicContact CG-CG1 3.96Å; K171-I227 HydrophobicContact CG-CG2 3.87Å
172L94.4Very high92.8Very high6 Ų638.2 Ų38.23%0.03121%0.206CC..Hα-helixtrans-57.3-48.9170.9-79173.9000110.8F160 V168 D174 V175 Y176 L222 I227 F230 Y231F160-L172 HydrophobicContact CB-CD1 4.25Å; V168-L172 HydrophobicContact CG1-CD1 4.23Å; V168-L172 HydrophobicContact CG1-CG 4.5Å; V168-L172 WeakPolarHBondContact O-CB 3.2Å; V168-L172 WeakPolarHBondContact O-CG 3.35Å; V168-L172 PolarHBondContact O-N 3.22Å; L172-D174 PolarHBondContact O-N 2.88Å; L172-V175 PolarHBondContact O-N 3.4Å; L172-Y176 WeakPolarHBondContact O-CB 3.15Å; L172-Y176 PolarHBondContact O-N 3.36Å; L172-L222 HydrophobicContact CD1-CD2 4Å; L172-L222 HydrophobicContact CD2-CD2 4.08Å; L172-L222 HydrophobicContact CG-CD2 4.31Å; L172-I227 HydrophobicContact CD2-CD1 3.74Å; L172-I227 HydrophobicContact CG-CD1 3.84Å; L172-F230 HydrophobicContact CD2-CD1 3.9Å; L172-F230 HydrophobicContact CD2-CE1 3.66Å; L172-Y231 HydrophobicContact CD2-CE2 3.89Å; L172-Y231 PolarHBondContact O-OH 2.94Å
173L93.5Very high92.9Very high8 Ų836.2 Ų36.24%0.04219%0.192CC..Hα-helixtrans-61.7-42.1178.9-177.564.3000111.9M9 L89 L107 L159 A169 L170 K171 Y176 L177M9-L173 HydrophobicContact SD-CD2 4.04Å; L89-L173 HydrophobicContact CD2-CB 4.35Å; L89-L173 HydrophobicContact CD2-CD2 3.7Å; L89-L173 HydrophobicContact CG-CD2 4.47Å; L107-L173 HydrophobicContact CD1-CD2 4.44Å; L107-L173 HydrophobicContact CD2-CD1 3.95Å; L159-L173 HydrophobicContact CD1-CD1 4.13Å; A169-L173 WeakPolarHBondContact O-CB 3.34Å; A169-L173 PolarHBondContact O-N 3.06Å; L170-L173 PolarHBondContact O-N 3.25Å; K171-L173 VanDerWaalsContact C-N 3.35Å; L173-Y176 PolarHBondContact O-N 3.43Å; L173-L177 HydrophobicContact CD1-CD1 3.92Å; L173-L177 HydrophobicContact CD1-CD2 4.5Å; L173-L177 HydrophobicContact CD1-CG 4.01Å; L173-L177 HydrophobicContact CG-CD1 3.95Å; L173-L177 HydrophobicContact CG-CG 4.37Å; L173-L177 WeakPolarHBondContact O-CB 3.18Å; L173-L177 WeakPolarHBondContact O-CG 3.38Å; L173-L177 PolarHBondContact O-N 2.7Å
174D90.6Very high93Very high20 Ų2035.6 Ų35.611%0.10719%0.187CC..Hα-helixtrans-57.8-53.6177.8-174.220.7000111.2V5 L170 K171 L172 Y176 L177 Q178V5-D174 HydrophobicContact CG1-CB 4.45Å; L170-D174 PolarHBondContact O-N 3.28Å; K171-D174 PolarHBondContact O-N 3.4Å; L172-D174 PolarHBondContact O-N 2.88Å; D174-Y176 PolarHBondContact O-N 2.97Å; D174-L177 PolarHBondContact O-N 3.36Å; D174-Q178 VanDerWaalsContact CG-NE2 3.31Å; D174-Q178 VanDerWaalsContact O-CG 3.3Å; D174-Q178 WeakPolarHBondContact O-CG 3.3Å; D174-Q178 PolarHBondContact O-N 3.5Å; D174-Q178 PolarHBondContact OD1-NE2 2.96Å; D174-Q178 PolarHBondContact OD2-NE2 3.28Å
175V90.6Very high93.1Very high11 Ų1134.9 Ų34.97%0.06718%0.182CC..Hα-helixtrans-66.4-39.4-179.8-178.80000111.8K171 L172 L177 Q178 H179 I227 Y231K171-V175 WeakPolarHBondContact O-CG2 3.44Å; K171-V175 PolarHBondContact O-N 2.98Å; K171-V175 VanDerWaalsContact O-N 3.13Å; L172-V175 PolarHBondContact O-N 3.4Å; V175-L177 VanDerWaalsContact C-N 3.26Å; V175-L177 PolarHBondContact O-N 3.33Å; V175-Q178 WeakPolarHBondContact O-CB 3.15Å; V175-Q178 PolarHBondContact O-N 2.95Å; V175-Q178 VanDerWaalsContact O-N 3.1Å; V175-H179 VanDerWaalsContact CG1-CE1 3.42Å; V175-H179 WeakPolarHBondContact CG1-CE1 3.29Å; V175-H179 PolarHBondContact O-N 2.79Å; V175-H179 VanDerWaalsContact O-N 3.13Å; V175-H179 PolarHBondContact O-ND1 3.02Å; V175-I227 HydrophobicContact CG2-CG2 4.3Å; V175-Y231 HydrophobicContact CB-CD2 3.86Å; V175-Y231 HydrophobicContact CB-CE1 4.27Å; V175-Y231 HydrophobicContact CB-CE2 3.35Å; V175-Y231 HydrophobicContact CB-CG 4.5Å; V175-Y231 HydrophobicContact CG1-CD1 3.72Å; V175-Y231 HydrophobicContact CG1-CD2 3.45Å; V175-Y231 VanDerWaalsContact CG1-CD2 3.45Å; V175-Y231 HydrophobicContact CG1-CE1 3.65Å; V175-Y231 HydrophobicContact CG1-CE2 3.37Å; V175-Y231 HydrophobicContact CG1-CG 3.62Å; V175-Y231 VanDerWaalsContact CG1-CZ 3.45Å; V175-Y231 HydrophobicContact CG2-CD2 4.18Å; V175-Y231 HydrophobicContact CG2-CE2 3.94Å
176Y93.7Very high93.4Very high3 Ų329.6 Ų29.61%0.01216%0.158CC..Hα-helixtrans-59-40.3178.1-173.8-150.7000112Y111 L159 L172 L173 D174 A180 D181 P182 E184 I185 M188 Y231Y111-Y176 HydrophobicContact CD1-CD1 4.27Å; Y111-Y176 AromaticContact CD1-CE1 3.68Å; Y111-Y176 HydrophobicContact CD1-CE1 3.68Å; Y111-Y176 HydrophobicContact CD1-CE2 4.12Å; Y111-Y176 AromaticContact CD1-CZ 3.6Å; Y111-Y176 HydrophobicContact CG-CE1 4.19Å; Y111-Y176 PolarHBondContact O-OH 3.06Å; L159-Y176 HydrophobicContact CD2-CE1 4Å; L172-Y176 WeakPolarHBondContact O-CB 3.15Å; L172-Y176 PolarHBondContact O-N 3.36Å; L173-Y176 PolarHBondContact O-N 3.43Å; D174-Y176 PolarHBondContact O-N 2.97Å; Y176-A180 PolarHBondContact O-N 3.43Å; Y176-A180 VanDerWaalsContact O-N 3.13Å; Y176-D181 WeakPolarHBondContact CE2-O 3.32Å; Y176-P182 WeakPolarHBondContact OH-CA 3.43Å; Y176-P182 PolarHBondContact OH-O 2.96Å; Y176-E184 HydrophobicContact CD2-CB 3.9Å; Y176-E184 HydrophobicContact CD2-CG 4.43Å; Y176-E184 HydrophobicContact CE2-CB 3.64Å; Y176-I185 HydrophobicContact CE1-CD1 4.47Å; Y176-M188 HydrophobicContact CD1-CE 4.42Å; Y176-M188 HydrophobicContact CD2-CE 3.38Å; Y176-M188 HydrophobicContact CE2-CE 3.99Å; Y176-M188 HydrophobicContact CG-CE 3.64Å; Y176-Y231 PolarHBondContact N-OH 3.12Å
177L93.1Very high93.7Very high2 Ų225.7 Ų25.71%0.0114%0.137CC..Hα-helixtrans-76.3-26.6178-66.4179.8000113.1M9 L12 L13 L107 Y111 L173 D174 V175M9-L177 HydrophobicContact CB-CD1 4.39Å; M9-L177 HydrophobicContact CG-CD1 3.49Å; M9-L177 VanDerWaalsContact CG-CD1 3.49Å; M9-L177 HydrophobicContact SD-CD1 4.2Å; L12-L177 HydrophobicContact CB-CB 4.32Å; L12-L177 HydrophobicContact CD1-CB 4.02Å; L13-L177 HydrophobicContact CD1-CD1 4.36Å; L13-L177 HydrophobicContact CD2-CD1 4.33Å; L13-L177 HydrophobicContact CD2-CD2 3.62Å; L13-L177 HydrophobicContact CG-CD1 4.24Å; L13-L177 HydrophobicContact CG-CD2 4.37Å; L107-L177 HydrophobicContact CD2-CD1 4.39Å; L107-L177 HydrophobicContact CD2-CD2 3.92Å; Y111-L177 HydrophobicContact CD1-CD2 4.38Å; Y111-L177 HydrophobicContact CD2-CD2 3.99Å; Y111-L177 HydrophobicContact CE1-CD2 3.95Å; Y111-L177 HydrophobicContact CE2-CD2 3.51Å; Y111-L177 HydrophobicContact CG-CD2 4.39Å; Y111-L177 VanDerWaalsContact CZ-CD2 3.47Å; L173-L177 HydrophobicContact CD1-CD1 3.92Å; L173-L177 HydrophobicContact CD1-CD2 4.5Å; L173-L177 HydrophobicContact CD1-CG 4.01Å; L173-L177 HydrophobicContact CG-CD1 3.95Å; L173-L177 HydrophobicContact CG-CG 4.37Å; L173-L177 WeakPolarHBondContact O-CB 3.18Å; L173-L177 WeakPolarHBondContact O-CG 3.38Å; L173-L177 PolarHBondContact O-N 2.7Å; D174-L177 PolarHBondContact O-N 3.36Å; V175-L177 VanDerWaalsContact C-N 3.26Å; V175-L177 PolarHBondContact O-N 3.33Å
178Q90.7Very high94Very high101 Ų10121.4 Ų21.447%0.47211%0.114SC..Hα-helixtrans-67.1-39.3173.3-71.9169.823.700111.5L12 D174 V175L12-Q178 HydrophobicContact CD1-CG 3.88Å; D174-Q178 VanDerWaalsContact CG-NE2 3.31Å; D174-Q178 VanDerWaalsContact O-CG 3.3Å; D174-Q178 WeakPolarHBondContact O-CG 3.3Å; D174-Q178 PolarHBondContact O-N 3.5Å; D174-Q178 PolarHBondContact OD1-NE2 2.96Å; D174-Q178 PolarHBondContact OD2-NE2 3.28Å; V175-Q178 WeakPolarHBondContact O-CB 3.15Å; V175-Q178 PolarHBondContact O-N 2.95Å; V175-Q178 VanDerWaalsContact O-N 3.1Å
179H89.4Confident94.1Very high82 Ų8221.3 Ų21.338%0.3811%0.114SC..Hα-helixtrans-75.9-29175.8-61.7142.3000113.4V175 D181 E184 Y231V175-H179 VanDerWaalsContact CG1-CE1 3.42Å; V175-H179 WeakPolarHBondContact CG1-CE1 3.29Å; V175-H179 PolarHBondContact O-N 2.79Å; V175-H179 VanDerWaalsContact O-N 3.13Å; V175-H179 PolarHBondContact O-ND1 3.02Å; H179-D181 VanDerWaalsContact C-N 3.28Å; H179-D181 PolarHBondContact O-N 3.39Å; H179-E184 WeakPolarHBondContact CB-OE2 3.4Å; H179-E184 IonicContact CE1-OE1 3.48Å; H179-E184 IonicContact CG-OE1 3.5Å; H179-E184 IonicContact CG-OE2 3.39Å; H179-E184 VanDerWaalsContact ND1-CD 3.33Å; H179-E184 IonicContact ND1-OE1 2.7Å; H179-E184 PolarHBondContact ND1-OE1 2.91Å; H179-E184 IonicContact ND1-OE2 3.11Å; H179-E184 PolarHBondContact ND1-OE2 3.42Å; H179-Y231 AromaticContact CE1-CD1 3.76Å
180A91.8Very high94.3Very high58 Ų5821.3 Ų21.348%0.47911%0.113SC..THydrogen-bonded Turntrans56.433.7176.800000115Y176Y176-A180 PolarHBondContact O-N 3.43Å; Y176-A180 VanDerWaalsContact O-N 3.13Å
181D93.6Very high94.5Very high30 Ų3019.9 Ų19.916%0.1611%0.106CC..  trans-110.9106.5173.5177.77.8000111.3Y176 H179 F183 E184 M238 R246Y176-D181 WeakPolarHBondContact CE2-O 3.32Å; H179-D181 VanDerWaalsContact C-N 3.28Å; H179-D181 PolarHBondContact O-N 3.39Å; D181-F183 PolarHBondContact O-N 3.45Å; D181-F183 WeakPolarHBondContact OD1-CB 3.25Å; D181-F183 PolarHBondContact OD1-N 2.89Å; D181-E184 HydrophobicContact CB-CB 4.45Å; D181-E184 WeakPolarHBondContact O-CB 3.39Å; D181-E184 PolarHBondContact O-N 3.45Å; D181-M238 VanDerWaalsContact OD2-CE 3.25Å; D181-M238 WeakPolarHBondContact OD2-CE 3.28Å; D181-R246 WeakPolarHBondContact OD2-CD 3.36Å; D181-R246 IonicContact OD2-CZ 3.79Å; D181-R246 IonicContact OD2-NE 2.66Å; D181-R246 PolarHBondContact OD2-NE 3.26Å
182P95.2Very high94.8Very high19 Ų1916.9 Ų16.912%0.1239%0.093CC..THydrogen-bonded Turntrans-56.6-19.3178-27.336.3000116.2K110 Y111 Y176 F254K110-P182 VanDerWaalsContact O-CB 3.29Å; K110-P182 WeakPolarHBondContact O-CB 3.39Å; K110-P182 VanDerWaalsContact O-CG 3.23Å; K110-P182 WeakPolarHBondContact O-CG 3.31Å; Y111-P182 HydrophobicContact CD1-CG 4.48Å; Y176-P182 WeakPolarHBondContact OH-CA 3.43Å; Y176-P182 PolarHBondContact OH-O 2.96Å; P182-F254 HydrophobicContact CB-CD1 3.93Å; P182-F254 HydrophobicContact CB-CD2 4Å; P182-F254 HydrophobicContact CB-CE1 3.8Å; P182-F254 HydrophobicContact CB-CE2 3.88Å; P182-F254 HydrophobicContact CB-CG 4.02Å; P182-F254 HydrophobicContact CB-CZ 3.77Å; P182-F254 VanDerWaalsContact O-CZ 3.22Å; P182-F254 WeakPolarHBondContact O-CZ 3.45Å
183F96.4Very high94.9Very high2 Ų216.6 Ų16.61%0.0099%0.092CC..THydrogen-bonded Turntrans-83.7-14.8179-76-95.7000113.3L125 D181 I185 F186 F187 F245 R246 H250 L253 F254L125-F183 HydrophobicContact CD2-CD1 4.34Å; L125-F183 HydrophobicContact CD2-CE1 3.87Å; D181-F183 PolarHBondContact O-N 3.45Å; D181-F183 WeakPolarHBondContact OD1-CB 3.25Å; D181-F183 PolarHBondContact OD1-N 2.89Å; F183-I185 PolarHBondContact O-N 3.31Å; F183-I185 VanDerWaalsContact O-N 3.12Å; F183-F186 HydrophobicContact CB-CD2 4.34Å; F183-F186 AromaticContact CD1-CD2 3.86Å; F183-F186 HydrophobicContact CD1-CD2 3.86Å; F183-F186 AromaticContact CD1-CE2 3.9Å; F183-F186 HydrophobicContact CD1-CE2 3.9Å; F183-F186 HydrophobicContact CE1-CE2 4.29Å; F183-F186 HydrophobicContact CG-CD2 4.45Å; F183-F186 WeakPolarHBondContact O-CB 3.2Å; F183-F186 WeakPolarHBondContact O-CD2 3.37Å; F183-F186 PolarHBondContact O-N 2.87Å; F183-F187 HydrophobicContact CB-CE2 4.48Å; F183-F187 WeakPolarHBondContact O-CD2 3.49Å; F183-F245 HydrophobicContact CB-CE1 4.5Å; F183-F245 HydrophobicContact CD1-CD1 4.04Å; F183-F245 AromaticContact CD1-CE1 3.74Å; F183-F245 HydrophobicContact CD1-CE1 3.74Å; F183-F245 WeakPolarHBondContact CE1-O 3.03Å; F183-R246 HydrophobicContact CB-CG 3.85Å; F183-R246 HydrophobicContact CD1-CB 4.5Å; F183-R246 HydrophobicContact CD1-CG 4.3Å; F183-R246 HydrophobicContact CD2-CB 3.98Å; F183-R246 HydrophobicContact CD2-CG 4.1Å; F183-R246 HydrophobicContact CE2-CB 4.27Å; F183-R246 WeakPolarHBondContact CE2-O 3.43Å; F183-R246 HydrophobicContact CG-CB 4.11Å; F183-R246 HydrophobicContact CG-CG 3.82Å; F183-R246 WeakPolarHBondContact CZ-O 3.41Å; F183-H250 HydrophobicContact CE2-CB 3.93Å; F183-H250 HydrophobicContact CZ-CB 4.21Å; F183-L253 HydrophobicContact CE1-CD1 4.24Å; F183-F254 HydrophobicContact CD1-CE2 4.41Å; F183-F254 HydrophobicContact CD2-CD2 4.38Å; F183-F254 HydrophobicContact CD2-CE2 4.01Å; F183-F254 HydrophobicContact CE1-CE2 4.16Å; F183-F254 AromaticContact CE2-CD2 3.75Å; F183-F254 HydrophobicContact CE2-CD2 3.75Å; F183-F254 AromaticContact CE2-CE2 3.72Å; F183-F254 HydrophobicContact CE2-CE2 3.72Å; F183-F254 HydrophobicContact CG-CE2 4.34Å; F183-F254 AromaticContact CZ-CD2 3.94Å; F183-F254 HydrophobicContact CZ-CD2 3.94Å; F183-F254 AromaticContact CZ-CE2 3.79Å; F183-F254 HydrophobicContact CZ-CE2 3.79Å
184E96.1Very high95Very high1 Ų117.5 Ų17.51%0.00510%0.096CC..Hα-helixtrans-58-29.7-177.3-164.5168.496.700112.1Y176 H179 D181 F186 F187 M188 Y231 V234 Q235 M238Y176-E184 HydrophobicContact CD2-CB 3.9Å; Y176-E184 HydrophobicContact CD2-CG 4.43Å; Y176-E184 HydrophobicContact CE2-CB 3.64Å; H179-E184 WeakPolarHBondContact CB-OE2 3.4Å; H179-E184 IonicContact CE1-OE1 3.48Å; H179-E184 IonicContact CG-OE1 3.5Å; H179-E184 IonicContact CG-OE2 3.39Å; H179-E184 VanDerWaalsContact ND1-CD 3.33Å; H179-E184 IonicContact ND1-OE1 2.7Å; H179-E184 PolarHBondContact ND1-OE1 2.91Å; H179-E184 IonicContact ND1-OE2 3.11Å; H179-E184 PolarHBondContact ND1-OE2 3.42Å; D181-E184 HydrophobicContact CB-CB 4.45Å; D181-E184 WeakPolarHBondContact O-CB 3.39Å; D181-E184 PolarHBondContact O-N 3.45Å; E184-F186 PolarHBondContact O-N 3.16Å; E184-F187 CarbonylContact O-C 3.43Å; E184-F187 WeakPolarHBondContact O-CA 3.41Å; E184-F187 WeakPolarHBondContact O-CB 3.39Å; E184-F187 PolarHBondContact O-N 2.87Å; E184-M188 HydrophobicContact CB-CE 4.1Å; E184-M188 HydrophobicContact CG-CE 3.71Å; E184-M188 WeakPolarHBondContact O-CG 3.46Å; E184-M188 PolarHBondContact O-N 3.01Å; E184-Y231 WeakPolarHBondContact OE1-CE1 3.12Å; E184-V234 HydrophobicContact CG-CG1 3.61Å; E184-Q235 PolarHBondContact OE2-NE2 2.93Å; E184-Q235 VanDerWaalsContact OE2-NE2 3.1Å; E184-M238 HydrophobicContact CB-CE 4.44Å; E184-M238 HydrophobicContact CB-SD 4.4Å; E184-M238 HydrophobicContact CG-CE 4.29Å; E184-M238 HydrophobicContact CG-SD 3.76Å
185I97.1Very high95Very high1 Ų118 Ų181%0.00510%0.099CC..Hα-helixtrans-56.1-33.9175-163.177.4000113.2F156 L159 F160 Y176 F183 F187 M188 A189F156-I185 HydrophobicContact CD1-CG1 3.91Å; F156-I185 HydrophobicContact CD1-CG2 4.39Å; L159-I185 HydrophobicContact CD2-CD1 4.1Å; F160-I185 HydrophobicContact CD2-CD1 3.56Å; F160-I185 HydrophobicContact CE2-CD1 3.33Å; F160-I185 HydrophobicContact CE2-CG1 4.07Å; F160-I185 HydrophobicContact CZ-CD1 4.4Å; Y176-I185 HydrophobicContact CE1-CD1 4.47Å; F183-I185 PolarHBondContact O-N 3.31Å; F183-I185 VanDerWaalsContact O-N 3.12Å; I185-F187 VanDerWaalsContact C-N 3.35Å; I185-M188 HydrophobicContact CD1-SD 4.26Å; I185-A189 WeakPolarHBondContact O-CB 3.26Å; I185-A189 PolarHBondContact O-N 3.21Å
186F97.8Very high95.2Very high0 Ų017.8 Ų17.80%010%0.098CC..Hα-helixtrans-70.5-34.8176.5-63.2-69000111.4P113 A122 L125 F126 L129 F156 F183 E184 L190 F245 L253 F254P113-F186 HydrophobicContact CG-CZ 3.91Å; A122-F186 HydrophobicContact CB-CE1 4.11Å; A122-F186 HydrophobicContact CB-CZ 4.17Å; A122-F186 WeakPolarHBondContact O-CE1 3.47Å; L125-F186 HydrophobicContact CD2-CE2 4.13Å; L125-F186 HydrophobicContact CD2-CZ 4.22Å; F126-F186 HydrophobicContact CB-CD1 3.99Å; F126-F186 HydrophobicContact CB-CE1 4.44Å; F126-F186 HydrophobicContact CD2-CB 4.45Å; F126-F186 HydrophobicContact CD2-CD1 4.41Å; F126-F186 VanDerWaalsContact CE2-O 3.31Å; F126-F186 WeakPolarHBondContact CE2-O 3.47Å; L129-F186 HydrophobicContact CD2-CB 3.91Å; F156-F186 AromaticContact CE1-CD1 3.92Å; F156-F186 HydrophobicContact CE1-CD1 3.92Å; F156-F186 HydrophobicContact CE1-CE1 4.23Å; F156-F186 HydrophobicContact CE2-CD1 4.44Å; F156-F186 HydrophobicContact CE2-CE1 4.18Å; F156-F186 AromaticContact CZ-CD1 3.83Å; F156-F186 HydrophobicContact CZ-CD1 3.83Å; F156-F186 HydrophobicContact CZ-CE1 4.02Å; F183-F186 HydrophobicContact CB-CD2 4.34Å; F183-F186 AromaticContact CD1-CD2 3.86Å; F183-F186 HydrophobicContact CD1-CD2 3.86Å; F183-F186 AromaticContact CD1-CE2 3.9Å; F183-F186 HydrophobicContact CD1-CE2 3.9Å; F183-F186 HydrophobicContact CE1-CE2 4.29Å; F183-F186 HydrophobicContact CG-CD2 4.45Å; F183-F186 WeakPolarHBondContact O-CB 3.2Å; F183-F186 WeakPolarHBondContact O-CD2 3.37Å; F183-F186 PolarHBondContact O-N 2.87Å; E184-F186 PolarHBondContact O-N 3.16Å; F186-L190 WeakPolarHBondContact O-CB 3.37Å; F186-L190 PolarHBondContact O-N 3.26Å; F186-F245 HydrophobicContact CB-CE1 4.3Å; F186-F245 HydrophobicContact CB-CZ 4.05Å; F186-F245 HydrophobicContact CD2-CE1 4.28Å; F186-F245 HydrophobicContact CD2-CZ 4.28Å; F186-F245 HydrophobicContact CG-CZ 4.21Å; F186-L253 HydrophobicContact CE2-CD1 4.23Å; F186-L253 HydrophobicContact CZ-CD1 4.03Å; F186-F254 HydrophobicContact CE2-CE2 4.29Å; F186-F254 HydrophobicContact CE2-CZ 4.2Å
187F98.2Very high95.2Very high0 Ų019 Ų190%010%0.103CC..Hα-helixtrans-75.7-36.4176.9-64-82.6000111.7L129 F183 E184 I185 A189 L190 V191 V234 M238 T241 F245L129-F187 HydrophobicContact CD1-CD1 4.37Å; L129-F187 HydrophobicContact CD1-CE1 3.72Å; L129-F187 HydrophobicContact CD1-CZ 4.19Å; L129-F187 HydrophobicContact CD2-CD1 3.95Å; L129-F187 HydrophobicContact CD2-CE1 3.99Å; L129-F187 HydrophobicContact CD2-CG 4.32Å; L129-F187 HydrophobicContact CD2-CZ 4.41Å; L129-F187 HydrophobicContact CG-CE1 4.48Å; F183-F187 HydrophobicContact CB-CE2 4.48Å; F183-F187 WeakPolarHBondContact O-CD2 3.49Å; E184-F187 CarbonylContact O-C 3.43Å; E184-F187 WeakPolarHBondContact O-CA 3.41Å; E184-F187 WeakPolarHBondContact O-CB 3.39Å; E184-F187 PolarHBondContact O-N 2.87Å; I185-F187 VanDerWaalsContact C-N 3.35Å; F187-A189 VanDerWaalsContact C-N 3.34Å; F187-A189 PolarHBondContact O-N 3.49Å; F187-L190 WeakPolarHBondContact O-CB 3.24Å; F187-L190 PolarHBondContact O-N 3.41Å; F187-V191 WeakPolarHBondContact O-CG2 3.37Å; F187-V191 PolarHBondContact O-N 2.57Å; F187-V234 HydrophobicContact CB-CG1 3.86Å; F187-M238 HydrophobicContact CB-CG 3.81Å; F187-M238 HydrophobicContact CB-SD 4.39Å; F187-M238 HydrophobicContact CD1-CB 4.36Å; F187-M238 HydrophobicContact CD1-CG 3.57Å; F187-M238 HydrophobicContact CD2-CG 3.44Å; F187-M238 VanDerWaalsContact CD2-CG 3.44Å; F187-M238 HydrophobicContact CD2-SD 4.21Å; F187-M238 HydrophobicContact CE1-CB 4.41Å; F187-M238 HydrophobicContact CE1-CG 3.93Å; F187-M238 HydrophobicContact CE2-CG 3.81Å; F187-M238 HydrophobicContact CG-CB 4.49Å; F187-M238 HydrophobicContact CG-CG 3.3Å; F187-M238 HydrophobicContact CG-SD 4.31Å; F187-M238 HydrophobicContact CZ-CG 4.05Å; F187-T241 HydrophobicContact CE1-CG2 4.08Å; F187-T241 VanDerWaalsContact CE1-OG1 3.32Å; F187-T241 WeakPolarHBondContact CE1-OG1 3.23Å; F187-T241 HydrophobicContact CZ-CG2 3.95Å; F187-F245 HydrophobicContact CE2-CD1 4.1Å; F187-F245 AromaticContact CE2-CE1 3.84Å; F187-F245 HydrophobicContact CE2-CE1 3.84Å; F187-F245 AromaticContact CZ-CD1 3.94Å; F187-F245 HydrophobicContact CZ-CD1 3.94Å; F187-F245 AromaticContact CZ-CE1 3.95Å; F187-F245 HydrophobicContact CZ-CE1 3.95Å
188M97.7Very high95.2Very high2 Ų224.4 Ų24.41%0.0113%0.132CC..Hα-helixtrans-57.2-49169.1-66.3-178.7-151.900111F160 Y176 E184 I185 L190 V191 I192 F230 Y231 V234F160-M188 HydrophobicContact CD2-SD 4.43Å; F160-M188 HydrophobicContact CE2-CB 3.69Å; F160-M188 HydrophobicContact CE2-SD 4.05Å; F160-M188 HydrophobicContact CZ-CB 4.02Å; Y176-M188 HydrophobicContact CD1-CE 4.42Å; Y176-M188 HydrophobicContact CD2-CE 3.38Å; Y176-M188 HydrophobicContact CE2-CE 3.99Å; Y176-M188 HydrophobicContact CG-CE 3.64Å; E184-M188 HydrophobicContact CB-CE 4.1Å; E184-M188 HydrophobicContact CG-CE 3.71Å; E184-M188 WeakPolarHBondContact O-CG 3.46Å; E184-M188 PolarHBondContact O-N 3.01Å; I185-M188 HydrophobicContact CD1-SD 4.26Å; M188-L190 VanDerWaalsContact C-N 3.29Å; M188-L190 PolarHBondContact O-N 3.36Å; M188-V191 PolarHBondContact O-N 2.93Å; M188-I192 WeakPolarHBondContact O-CG1 3.34Å; M188-I192 PolarHBondContact O-N 2.75Å; M188-I192 VanDerWaalsContact O-N 3.12Å; M188-F230 HydrophobicContact CB-CE1 4Å; M188-F230 HydrophobicContact CB-CZ 3.7Å; M188-F230 HydrophobicContact CG-CE1 3.81Å; M188-F230 HydrophobicContact CG-CZ 4.03Å; M188-F230 WeakPolarHBondContact O-CZ 3.45Å; M188-F230 HydrophobicContact SD-CE1 4.48Å; M188-Y231 HydrophobicContact CE-CE1 3.74Å; M188-Y231 WeakPolarHBondContact CE-OH 3.45Å; M188-V234 HydrophobicContact CG-CG2 4.08Å
189A98.1Very high95.3Very high0 Ų023.4 Ų23.40%013%0.128CC..Hα-helixtrans-60.9-39.3175.500000112F126 W155 F156 F160 I185 F187 I192 M193F126-A189 HydrophobicContact CD2-CB 4.23Å; F126-A189 HydrophobicContact CE1-CB 4.2Å; F126-A189 HydrophobicContact CE2-CB 3.57Å; F126-A189 HydrophobicContact CZ-CB 3.55Å; W155-A189 HydrophobicContact CE3-CB 3.72Å; W155-A189 HydrophobicContact CZ3-CB 4.05Å; F156-A189 HydrophobicContact CE1-CB 3.87Å; F156-A189 HydrophobicContact CZ-CB 4.3Å; F160-A189 HydrophobicContact CZ-CB 4.21Å; I185-A189 WeakPolarHBondContact O-CB 3.26Å; I185-A189 PolarHBondContact O-N 3.21Å; F187-A189 VanDerWaalsContact C-N 3.34Å; F187-A189 PolarHBondContact O-N 3.49Å; A189-I192 PolarHBondContact O-N 3.42Å; A189-M193 VanDerWaalsContact O-CG 3.29Å; A189-M193 WeakPolarHBondContact O-CG 3.25Å; A189-M193 PolarHBondContact O-N 3.11Å; A189-M193 VanDerWaalsContact O-N 3.12Å
190L98.2Very high95.7Very high0 Ų019.6 Ų19.60%011%0.11CC..Hα-helixtrans-60.9-53176.6179.270.6000110.5F126 L129 L130 H133 F186 F187 M188 I192 M193 I194 Y237F126-L190 HydrophobicContact CE2-CB 4.11Å; L129-L190 HydrophobicContact CD1-CD2 4.49Å; L129-L190 HydrophobicContact CD2-CB 4.11Å; L129-L190 HydrophobicContact CD2-CD2 4.18Å; L129-L190 HydrophobicContact CG-CD1 4.47Å; L129-L190 HydrophobicContact CG-CD2 4.03Å; L130-L190 HydrophobicContact CD1-CD1 3.81Å; H133-L190 HydrophobicContact CB-CD1 4.25Å; H133-L190 HydrophobicContact CB-CD2 4.15Å; F186-L190 WeakPolarHBondContact O-CB 3.37Å; F186-L190 PolarHBondContact O-N 3.26Å; F187-L190 WeakPolarHBondContact O-CB 3.24Å; F187-L190 PolarHBondContact O-N 3.41Å; M188-L190 VanDerWaalsContact C-N 3.29Å; M188-L190 PolarHBondContact O-N 3.36Å; L190-I192 VanDerWaalsContact C-N 3.28Å; L190-I192 PolarHBondContact O-N 3.07Å; L190-M193 WeakPolarHBondContact O-CA 3.26Å; L190-M193 WeakPolarHBondContact O-CB 3.23Å; L190-M193 PolarHBondContact O-N 2.94Å; L190-I194 HydrophobicContact CD1-CD1 3.91Å; L190-I194 HydrophobicContact CD1-CG1 4.05Å; L190-I194 HydrophobicContact CD2-CD1 4.1Å; L190-I194 HydrophobicContact CG-CD1 3.69Å; L190-I194 HydrophobicContact CG-CG1 4.09Å; L190-I194 WeakPolarHBondContact O-CG1 3.04Å; L190-I194 PolarHBondContact O-N 3.41Å; L190-Y237 HydrophobicContact CD2-CD1 4.11Å; L190-Y237 HydrophobicContact CD2-CG 3.99Å
191V97.2Very high95.8Very high3 Ų318.6 Ų18.62%0.01810%0.096CC..Hα-helixtrans-58.4-42-178.4175.30000110.9F187 M188 M193 I194 N195 F230 L233 V234 Y237 F582F187-V191 WeakPolarHBondContact O-CG2 3.37Å; F187-V191 PolarHBondContact O-N 2.57Å; M188-V191 PolarHBondContact O-N 2.93Å; V191-M193 VanDerWaalsContact C-N 3.3Å; V191-M193 PolarHBondContact O-N 2.94Å; V191-I194 PolarHBondContact O-N 3.35Å; V191-N195 WeakPolarHBondContact O-CB 3.46Å; V191-N195 PolarHBondContact O-N 3.03Å; V191-F230 HydrophobicContact CB-CD2 4.22Å; V191-F230 HydrophobicContact CB-CE2 3.72Å; V191-F230 HydrophobicContact CG1-CD2 3.63Å; V191-F230 HydrophobicContact CG1-CE2 3.61Å; V191-L233 HydrophobicContact CG1-CB 3.83Å; V191-L233 HydrophobicContact CG1-CD1 4.07Å; V191-L233 HydrophobicContact CG2-CB 4.04Å; V191-V234 HydrophobicContact CB-CG2 4.31Å; V191-V234 HydrophobicContact CG2-CB 4.47Å; V191-V234 HydrophobicContact CG2-CG2 3.81Å; V191-Y237 HydrophobicContact CG2-CD2 3.78Å; V191-Y237 HydrophobicContact CG2-CE2 4.3Å; V191-F582 HydrophobicContact CG1-CE1 4.1Å
192I96.9Very high95.9Very high6 Ų621.2 Ų21.23%0.03112%0.122CC..Hα-helixtrans-58.3-42.6175.3-67.3169.8000111.5F160 M188 A189 L190 S196 L218 P219 F230F160-I192 HydrophobicContact CD1-CD1 4.3Å; F160-I192 HydrophobicContact CE1-CD1 3.61Å; F160-I192 HydrophobicContact CZ-CD1 3.94Å; M188-I192 WeakPolarHBondContact O-CG1 3.34Å; M188-I192 PolarHBondContact O-N 2.75Å; M188-I192 VanDerWaalsContact O-N 3.12Å; A189-I192 PolarHBondContact O-N 3.42Å; L190-I192 VanDerWaalsContact C-N 3.28Å; L190-I192 PolarHBondContact O-N 3.07Å; I192-S196 WeakPolarHBondContact O-CB 3.46Å; I192-S196 PolarHBondContact O-N 3.03Å; I192-S196 PolarHBondContact O-OG 3.21Å; I192-L218 HydrophobicContact CG2-CB 3.61Å; I192-L218 HydrophobicContact CG2-CD1 4.45Å; I192-P219 HydrophobicContact CD1-CB 4.06Å; I192-P219 HydrophobicContact CD1-CG 4.01Å; I192-P219 HydrophobicContact CG2-CG 4.43Å; I192-F230 HydrophobicContact CD1-CE2 4.48Å; I192-F230 HydrophobicContact CD1-CZ 4.28Å; I192-F230 HydrophobicContact CG1-CE2 3.81Å; I192-F230 HydrophobicContact CG1-CZ 4.08Å
193M97.1Very high95.9Very high0 Ų021.1 Ų21.10%012%0.12CC..Hα-helixtrans-68.3-48.6179-71.2-64.4-71.600112.4F126 L130 L137 L141 Y151 W155 A189 L190 V191 N195 S196 K197 I200 I215 L218F126-M193 HydrophobicContact CE1-CG 4.38Å; F126-M193 HydrophobicContact CZ-CG 3.98Å; L130-M193 HydrophobicContact CD1-CB 4.08Å; L130-M193 HydrophobicContact CD2-CE 4.37Å; L137-M193 HydrophobicContact CD2-CB 4.2Å; L137-M193 HydrophobicContact CD2-CE 4.28Å; L141-M193 HydrophobicContact CD1-CE 3.72Å; Y151-M193 HydrophobicContact CE2-CE 4.13Å; Y151-M193 HydrophobicContact CE2-SD 4.16Å; W155-M193 HydrophobicContact CH2-CG 4.25Å; W155-M193 HydrophobicContact CH2-SD 3.75Å; W155-M193 HydrophobicContact CZ3-CG 4.19Å; W155-M193 HydrophobicContact CZ3-SD 4.25Å; A189-M193 VanDerWaalsContact O-CG 3.29Å; A189-M193 WeakPolarHBondContact O-CG 3.25Å; A189-M193 PolarHBondContact O-N 3.11Å; A189-M193 VanDerWaalsContact O-N 3.12Å; L190-M193 WeakPolarHBondContact O-CA 3.26Å; L190-M193 WeakPolarHBondContact O-CB 3.23Å; L190-M193 PolarHBondContact O-N 2.94Å; V191-M193 VanDerWaalsContact C-N 3.3Å; V191-M193 PolarHBondContact O-N 2.94Å; M193-N195 VanDerWaalsContact C-N 3.28Å; M193-N195 PolarHBondContact O-N 3.22Å; M193-S196 CarbonylContact O-C 3.54Å; M193-S196 PolarHBondContact O-N 2.93Å; M193-K197 PolarHBondContact O-N 3.18Å; M193-I200 HydrophobicContact CE-CD1 3.93Å; M193-I200 HydrophobicContact SD-CD1 4.17Å; M193-I215 HydrophobicContact CE-CD1 4.42Å; M193-I215 HydrophobicContact CE-CG2 4.17Å; M193-I215 HydrophobicContact SD-CG2 3.61Å; M193-L218 HydrophobicContact SD-CD1 4.25Å
194I94.6Very high95.7Very high27 Ų2728.6 Ų28.614%0.13816%0.155CC..Hα-helixtrans-58.3-46.9178.4-64-173000109.7H133 E134 L190 V191 S196 K197 Y237H133-I194 HydrophobicContact CB-CD1 4.37Å; E134-I194 HydrophobicContact CG-CB 4.46Å; E134-I194 HydrophobicContact CG-CD1 3.91Å; E134-I194 HydrophobicContact CG-CG1 3.61Å; E134-I194 HydrophobicContact CG-CG2 4.43Å; L190-I194 HydrophobicContact CD1-CD1 3.91Å; L190-I194 HydrophobicContact CD1-CG1 4.05Å; L190-I194 HydrophobicContact CD2-CD1 4.1Å; L190-I194 HydrophobicContact CG-CD1 3.69Å; L190-I194 HydrophobicContact CG-CG1 4.09Å; L190-I194 WeakPolarHBondContact O-CG1 3.04Å; L190-I194 PolarHBondContact O-N 3.41Å; V191-I194 PolarHBondContact O-N 3.35Å; I194-S196 PolarHBondContact O-N 3.28Å; I194-K197 WeakPolarHBondContact O-CB 3.5Å; I194-K197 PolarHBondContact O-N 2.91Å; I194-Y237 HydrophobicContact CD1-CD1 4.09Å; I194-Y237 HydrophobicContact CD1-CD2 4.33Å; I194-Y237 HydrophobicContact CD1-CE1 3.48Å; I194-Y237 VanDerWaalsContact CD1-CE1 3.48Å; I194-Y237 HydrophobicContact CD1-CE2 3.77Å; I194-Y237 HydrophobicContact CD1-CG 4.49Å
195N91.4Very high95.5Very high31 Ų3132 Ų3217%0.16619%0.191CC..Hα-helixtrans-64.2-26.9-177.8-166.666.8000113.5V191 M193 M581 F582V191-N195 WeakPolarHBondContact O-CB 3.46Å; V191-N195 PolarHBondContact O-N 3.03Å; M193-N195 VanDerWaalsContact C-N 3.28Å; M193-N195 PolarHBondContact O-N 3.22Å; N195-M581 VanDerWaalsContact ND2-C 3.34Å; N195-M581 PolarHBondContact ND2-O 2.97Å; N195-M581 PolarHBondContact OD1-O 3.19Å; N195-F582 HydrophobicContact CB-CD1 4.49Å; N195-F582 WeakPolarHBondContact OD1-CD1 3.29Å
196S94.4Very high95.4Very high6 Ų635.4 Ų35.44%0.04221%0.207CC..THydrogen-bonded Turntrans-99.65.9177.5-49.80000112.7I192 M193 I194 N198 Q199 I200 L218I192-S196 WeakPolarHBondContact O-CB 3.46Å; I192-S196 PolarHBondContact O-N 3.03Å; I192-S196 PolarHBondContact O-OG 3.21Å; M193-S196 CarbonylContact O-C 3.54Å; M193-S196 PolarHBondContact O-N 2.93Å; I194-S196 PolarHBondContact O-N 3.28Å; S196-N198 PolarHBondContact O-N 3.13Å; S196-Q199 WeakPolarHBondContact O-CA 3.46Å; S196-Q199 WeakPolarHBondContact O-CB 3.3Å; S196-Q199 PolarHBondContact O-N 3.27Å; S196-I200 WeakPolarHBondContact O-CG1 3.08Å; S196-I200 PolarHBondContact O-N 3.04Å; S196-L218 WeakPolarHBondContact OG-CD2 3.47Å
197K94.5Very high95.3Very high28 Ų2838 Ų3812%0.12223%0.228CC..Hα-helixtrans-50.2-54.4-173.3173.7-177.6174.8176.30112.1E134 E136 L137 M193 I194 Q199 I200 L201E134-K197 WeakPolarHBondContact OE2-CD 3.46Å; E134-K197 WeakPolarHBondContact OE2-CE 3.22Å; E134-K197 IonicContact OE2-NZ 3.93Å; E134-K197 PolarHBondContact OE2-NZ 3.34Å; E136-K197 WeakPolarHBondContact OE2-CE 3.31Å; E136-K197 IonicContact OE2-NZ 3.42Å; E136-K197 PolarHBondContact OE2-NZ 3.04Å; L137-K197 HydrophobicContact CB-CG 4.43Å; L137-K197 HydrophobicContact CD2-CB 4.25Å; L137-K197 HydrophobicContact CD2-CG 4.43Å; M193-K197 PolarHBondContact O-N 3.18Å; I194-K197 WeakPolarHBondContact O-CB 3.5Å; I194-K197 PolarHBondContact O-N 2.91Å; K197-Q199 VanDerWaalsContact C-N 3.27Å; K197-Q199 PolarHBondContact O-N 3.32Å; K197-I200 PolarHBondContact O-N 3.09Å; K197-L201 HydrophobicContact CD-CD1 4.45Å; K197-L201 HydrophobicContact CG-CD1 3.84Å; K197-L201 HydrophobicContact CG-CG 4.24Å; K197-L201 WeakPolarHBondContact O-CG 3.29Å; K197-L201 PolarHBondContact O-N 2.92Å
198N92.3Very high95.1Very high116 Ų11642.3 Ų42.362%0.6225%0.248SC*.Hα-helixtrans-62.1-36.8-177.7-66.9-32.8000112S196 A202S196-N198 PolarHBondContact O-N 3.13Å; N198-A202 VanDerWaalsContact O-CB 3.29Å; N198-A202 WeakPolarHBondContact O-CB 3.3Å; N198-A202 PolarHBondContact O-N 3.23Å; N198-A202 VanDerWaalsContact O-N 3.09Å
199Q93.9Very high95Very high80 Ų8046.8 Ų46.837%0.37428%0.28SS..Hα-helixtrans-65.7-41.7174.3179.4174.551.700111.4S196 K197 M203S196-Q199 WeakPolarHBondContact O-CA 3.46Å; S196-Q199 WeakPolarHBondContact O-CB 3.3Å; S196-Q199 PolarHBondContact O-N 3.27Å; K197-Q199 VanDerWaalsContact C-N 3.27Å; K197-Q199 PolarHBondContact O-N 3.32Å; Q199-M203 WeakPolarHBondContact O-CG 3.49Å
200I96.3Very high94.9Very high2 Ų251.9 Ų51.91%0.0130%0.304CS..Hα-helixtrans-67.9-47179.8-63.2163000110.6L137 F140 L141 M193 S196 K197 A202 M203 I215 L218L137-I200 HydrophobicContact CD1-CB 4.07Å; L137-I200 HydrophobicContact CD1-CD1 4.16Å; L137-I200 HydrophobicContact CD1-CG2 3.76Å; L137-I200 HydrophobicContact CD2-CD1 4.47Å; F140-I200 HydrophobicContact CD1-CG2 3.95Å; F140-I200 HydrophobicContact CE1-CG2 3.72Å; F140-I200 WeakPolarHBondContact CZ-O 3.44Å; L141-I200 HydrophobicContact CD2-CG2 4.36Å; M193-I200 HydrophobicContact CE-CD1 3.93Å; M193-I200 HydrophobicContact SD-CD1 4.17Å; S196-I200 WeakPolarHBondContact O-CG1 3.08Å; S196-I200 PolarHBondContact O-N 3.04Å; K197-I200 PolarHBondContact O-N 3.09Å; I200-A202 VanDerWaalsContact C-N 3.26Å; I200-A202 PolarHBondContact O-N 3.07Å; I200-M203 WeakPolarHBondContact O-CB 3.4Å; I200-M203 PolarHBondContact O-N 3.47Å; I200-I215 HydrophobicContact CD1-CG1 4.22Å; I200-I215 HydrophobicContact CG1-CG1 4.19Å; I200-I215 HydrophobicContact CG2-CD1 4.29Å; I200-L218 HydrophobicContact CD1-CD1 4Å; I200-L218 HydrophobicContact CG1-CD1 4.46Å
201L95.6Very high94.8Very high36 Ų3651.9 Ų51.919%0.18830%0.304CS..Hα-helixtrans-62.8-33.7179-66.4179.9000112E136 L137 F140 K197 M203 E204E136-L201 HydrophobicContact CG-CD1 4.38Å; L137-L201 HydrophobicContact CD1-CD2 4.42Å; F140-L201 HydrophobicContact CB-CD2 3.55Å; F140-L201 HydrophobicContact CD1-CD2 4.18Å; F140-L201 HydrophobicContact CD2-CD2 3.79Å; F140-L201 HydrophobicContact CG-CD2 3.58Å; K197-L201 HydrophobicContact CD-CD1 4.45Å; K197-L201 HydrophobicContact CG-CD1 3.84Å; K197-L201 HydrophobicContact CG-CG 4.24Å; K197-L201 WeakPolarHBondContact O-CG 3.29Å; K197-L201 PolarHBondContact O-N 2.92Å; L201-M203 PolarHBondContact O-N 3.3Å; L201-M203 VanDerWaalsContact O-N 3.16Å; L201-E204 PolarHBondContact O-N 2.91Å
202A95.8Very high94.8Very high85 Ų8552.1 Ų52.170%0.70231%0.306SS*.THydrogen-bonded Turntrans-68-8.7175.700000114.2N198 I200 E204N198-A202 VanDerWaalsContact O-CB 3.29Å; N198-A202 WeakPolarHBondContact O-CB 3.3Å; N198-A202 PolarHBondContact O-N 3.23Å; N198-A202 VanDerWaalsContact O-N 3.09Å; I200-A202 VanDerWaalsContact C-N 3.26Å; I200-A202 PolarHBondContact O-N 3.07Å; A202-E204 PolarHBondContact O-N 2.69Å
203M95.1Very high94.8Very high17 Ų1753.9 Ų53.98%0.08433%0.325CS..THydrogen-bonded Turntrans-87.212.7175.6-59.5173.173.800112.8Q199 I200 L201 G205 Q206 I211 K214Q199-M203 WeakPolarHBondContact O-CG 3.49Å; I200-M203 WeakPolarHBondContact O-CB 3.4Å; I200-M203 PolarHBondContact O-N 3.47Å; L201-M203 PolarHBondContact O-N 3.3Å; L201-M203 VanDerWaalsContact O-N 3.16Å; M203-G205 PolarHBondContact O-N 3.41Å; M203-Q206 HydrophobicContact CB-CB 4.49Å; M203-Q206 HydrophobicContact CB-CG 4.35Å; M203-Q206 VanDerWaalsContact O-CB 3.29Å; M203-Q206 WeakPolarHBondContact O-CB 3.49Å; M203-Q206 WeakPolarHBondContact O-CG 3.33Å; M203-Q206 PolarHBondContact O-N 2.87Å; M203-I211 HydrophobicContact CB-CG1 4.11Å; M203-I211 HydrophobicContact CE-CB 4.29Å; M203-I211 HydrophobicContact CE-CG1 4Å; M203-K214 HydrophobicContact CE-CB 3.62Å; M203-K214 HydrophobicContact CE-CG 3.97Å; M203-K214 HydrophobicContact SD-CB 4.06Å; M203-K214 HydrophobicContact SD-CG 3.86Å
204E92.4Very high94.8Very high160 Ų16057.2 Ų57.275%0.74834%0.34SS*.THydrogen-bonded Turntrans-51.3130.4175.2-168.1178.5-17200111.4F140 L201 A202F140-E204 HydrophobicContact CE2-CB 4.15Å; F140-E204 HydrophobicContact CE2-CG 4.47Å; L201-E204 PolarHBondContact O-N 2.91Å; A202-E204 PolarHBondContact O-N 2.69Å
205G91.2Very high94.9Very high73 Ų7355.9 Ų55.975%0.75333%0.333SS*.THydrogen-bonded Turntrans87.1-5.5-17700000115.6M203M203-G205 PolarHBondContact O-N 3.41Å
206Q95.2Very high95.2Very high72 Ų7256.2 Ų56.234%0.33634%0.336SS..SBendtrans-77.8161.9170.7-63-171.3-9.200112.2M203 I211M203-Q206 HydrophobicContact CB-CB 4.49Å; M203-Q206 HydrophobicContact CB-CG 4.35Å; M203-Q206 VanDerWaalsContact O-CB 3.29Å; M203-Q206 WeakPolarHBondContact O-CB 3.49Å; M203-Q206 WeakPolarHBondContact O-CG 3.33Å; M203-Q206 PolarHBondContact O-N 2.87Å; Q206-I211 HydrophobicContact CB-CD1 4.33Å; Q206-I211 HydrophobicContact CB-CG1 4.06Å
207A94.4Very high95.3Very high55 Ų5558.2 Ų58.246%0.45535%0.35SS..  trans-71.5147.7-179.900000111.6S209 E210 I211A207-S209 VanDerWaalsContact C-N 3.26Å; A207-S209 PolarHBondContact O-N 3.32Å; A207-E210 WeakPolarHBondContact O-CB 3.39Å; A207-E210 PolarHBondContact O-N 3.32Å; A207-I211 PolarHBondContact O-N 3.26Å; A207-I211 VanDerWaalsContact O-N 3.13Å
208E94.6Very high95.4Very high90 Ų9057 Ų5742%0.42135%0.345SS..Hα-helixtrans-49.8-45.1179.1-176-171.6152.500112.5L146 E210 I211 A212L146-E208 HydrophobicContact CD2-CG 3.41Å; L146-E208 VanDerWaalsContact CD2-CG 3.41Å; L146-E208 HydrophobicContact CG-CG 4.02Å; E208-E210 VanDerWaalsContact C-N 3.34Å; E208-E210 PolarHBondContact O-N 3.45Å; E208-I211 PolarHBondContact O-N 2.97Å; E208-A212 VanDerWaalsContact O-CB 3.31Å; E208-A212 WeakPolarHBondContact O-CB 3.46Å; E208-A212 PolarHBondContact O-N 3.31Å
209S95.4Very high95.6Very high96 Ų9651.5 Ų51.567%0.67132%0.316SS*.Hα-helixtrans-66.4-32.7-17956.20000113.7A207 G213A207-S209 VanDerWaalsContact C-N 3.26Å; A207-S209 PolarHBondContact O-N 3.32Å; S209-G213 PolarHBondContact O-N 3.47Å
210E95.9Very high95.6Very high107 Ų10750 Ų5050%0.532%0.317SS..Hα-helixtrans-71.9-45.1178-173.4175.8-176.800110.4A207 E208 G213 K214A207-E210 WeakPolarHBondContact O-CB 3.39Å; A207-E210 PolarHBondContact O-N 3.32Å; E208-E210 VanDerWaalsContact C-N 3.34Å; E208-E210 PolarHBondContact O-N 3.45Å; E210-G213 PolarHBondContact O-N 3.47Å; E210-K214 WeakPolarHBondContact O-CB 3.34Å; E210-K214 PolarHBondContact O-N 3.37Å
211I97.1Very high95.5Very high0 Ų052.5 Ų52.50%033%0.329CS..Hα-helixtrans-62-49.1175.3-57.8171000110F140 L146 M203 Q206 A207 E208 G213 K214 I215F140-I211 HydrophobicContact CZ-CD1 4.41Å; L146-I211 HydrophobicContact CD1-CB 3.84Å; L146-I211 HydrophobicContact CD1-CG2 3.41Å; L146-I211 VanDerWaalsContact CD1-CG2 3.41Å; M203-I211 HydrophobicContact CB-CG1 4.11Å; M203-I211 HydrophobicContact CE-CB 4.29Å; M203-I211 HydrophobicContact CE-CG1 4Å; Q206-I211 HydrophobicContact CB-CD1 4.33Å; Q206-I211 HydrophobicContact CB-CG1 4.06Å; A207-I211 PolarHBondContact O-N 3.26Å; A207-I211 VanDerWaalsContact O-N 3.13Å; E208-I211 PolarHBondContact O-N 2.97Å; I211-G213 VanDerWaalsContact C-N 3.34Å; I211-G213 PolarHBondContact O-N 3.47Å; I211-K214 PolarHBondContact O-N 3.45Å; I211-I215 HydrophobicContact CG2-CD1 3.79Å; I211-I215 HydrophobicContact CG2-CG1 4.36Å; I211-I215 WeakPolarHBondContact O-CG1 3.31Å; I211-I215 PolarHBondContact O-N 3.46Å
212A97Very high95.4Very high8 Ų851 Ų517%0.06632%0.321CS..Hα-helixtrans-58.2-44.8177.500000112.3L146 T150 E208 I215 T216L146-A212 HydrophobicContact CD2-CB 3.79Å; T150-A212 HydrophobicContact CG2-CB 3.99Å; E208-A212 VanDerWaalsContact O-CB 3.31Å; E208-A212 WeakPolarHBondContact O-CB 3.46Å; E208-A212 PolarHBondContact O-N 3.31Å; A212-I215 PolarHBondContact O-N 2.97Å; A212-T216 WeakPolarHBondContact O-CB 3.48Å; A212-T216 PolarHBondContact O-N 2.87Å; A212-T216 PolarHBondContact O-OG1 3.32Å
213G96.6Very high95.3Very high42 Ų4250.3 Ų50.343%0.43330%0.303SS..Hα-helixtrans-62.1-43177.600000112.1S209 E210 I211 T216 S217S209-G213 PolarHBondContact O-N 3.47Å; E210-G213 PolarHBondContact O-N 3.47Å; I211-G213 VanDerWaalsContact C-N 3.34Å; I211-G213 PolarHBondContact O-N 3.47Å; G213-T216 PolarHBondContact O-N 3.01Å; G213-S217 PolarHBondContact O-N 2.98Å
214K96.5Very high95.1Very high70 Ų7053.1 Ų53.130%0.30432%0.316SS..Hα-helixtrans-64.6-47176.8-175.358.7-179.5170.10111.3M203 E210 I211 T216 S217 L218M203-K214 HydrophobicContact CE-CB 3.62Å; M203-K214 HydrophobicContact CE-CG 3.97Å; M203-K214 HydrophobicContact SD-CB 4.06Å; M203-K214 HydrophobicContact SD-CG 3.86Å; E210-K214 WeakPolarHBondContact O-CB 3.34Å; E210-K214 PolarHBondContact O-N 3.37Å; I211-K214 PolarHBondContact O-N 3.45Å; K214-T216 VanDerWaalsContact C-N 3.35Å; K214-T216 PolarHBondContact O-N 3.03Å; K214-S217 PolarHBondContact O-N 3.17Å; K214-S217 VanDerWaalsContact O-N 3.13Å; K214-S217 PolarHBondContact O-OG 2.64Å; K214-L218 PolarHBondContact O-N 3.09Å
215I97.8Very high94.9Very high0 Ų049.4 Ų49.40%030%0.298CS..Hα-helixtrans-57.2-50.8177.5-67.7170.1000109.7L141 L146 Y151 W155 M193 I200 I211 A212 S217 L218L141-I215 HydrophobicContact CD2-CD1 3.57Å; L146-I215 HydrophobicContact CD1-CD1 4.47Å; Y151-I215 HydrophobicContact CD1-CD1 4.45Å; Y151-I215 HydrophobicContact CD1-CG2 4.23Å; Y151-I215 HydrophobicContact CD2-CB 4.44Å; Y151-I215 HydrophobicContact CD2-CG2 3.29Å; Y151-I215 HydrophobicContact CE2-CG2 3.82Å; Y151-I215 HydrophobicContact CG-CB 4.23Å; Y151-I215 HydrophobicContact CG-CG2 3.53Å; W155-I215 HydrophobicContact CH2-CG2 3.72Å; W155-I215 HydrophobicContact CZ2-CG2 3.93Å; W155-I215 VanDerWaalsContact CZ2-O 3.3Å; W155-I215 WeakPolarHBondContact CZ2-O 3.32Å; M193-I215 HydrophobicContact CE-CD1 4.42Å; M193-I215 HydrophobicContact CE-CG2 4.17Å; M193-I215 HydrophobicContact SD-CG2 3.61Å; I200-I215 HydrophobicContact CD1-CG1 4.22Å; I200-I215 HydrophobicContact CG1-CG1 4.19Å; I200-I215 HydrophobicContact CG2-CD1 4.29Å; I211-I215 HydrophobicContact CG2-CD1 3.79Å; I211-I215 HydrophobicContact CG2-CG1 4.36Å; I211-I215 WeakPolarHBondContact O-CG1 3.31Å; I211-I215 PolarHBondContact O-N 3.46Å; A212-I215 PolarHBondContact O-N 2.97Å; I215-S217 PolarHBondContact O-N 3.41Å; I215-L218 HydrophobicContact CB-CD1 4.36Å; I215-L218 HydrophobicContact CG1-CD1 4.44Å; I215-L218 HydrophobicContact CG2-CD1 4.18Å; I215-L218 VanDerWaalsContact O-CB 3.3Å; I215-L218 WeakPolarHBondContact O-CB 3.25Å; I215-L218 VanDerWaalsContact O-CG 3.22Å; I215-L218 WeakPolarHBondContact O-CG 3.45Å; I215-L218 PolarHBondContact O-N 3.2Å
216T97.1Very high94.9Very high37 Ų3746.1 Ų46.123%0.22726%0.264CS..Hα-helixtrans-52.2-34.9179.4-55.40000112.4Y151 W155 A212 G213 K214 P219Y151-T216 WeakPolarHBondContact CA-OG1 3.4Å; Y151-T216 PolarHBondContact O-OG1 3.23Å; W155-T216 PolarHBondContact NE1-O 2.93Å; A212-T216 WeakPolarHBondContact O-CB 3.48Å; A212-T216 PolarHBondContact O-N 2.87Å; A212-T216 PolarHBondContact O-OG1 3.32Å; G213-T216 PolarHBondContact O-N 3.01Å; K214-T216 VanDerWaalsContact C-N 3.35Å; K214-T216 PolarHBondContact O-N 3.03Å; T216-P219 WeakPolarHBondContact O-CD 3.17Å
217S96.2Very high94.7Very high49 Ų4942.7 Ų42.734%0.34325%0.247SC..THydrogen-bonded Turntrans-83.8-6.2-18074.70000115.7G213 K214 I215 P219 A220G213-S217 PolarHBondContact O-N 2.98Å; K214-S217 PolarHBondContact O-N 3.17Å; K214-S217 VanDerWaalsContact O-N 3.13Å; K214-S217 PolarHBondContact O-OG 2.64Å; I215-S217 PolarHBondContact O-N 3.41Å; S217-P219 VanDerWaalsContact C-CD 3.45Å; S217-A220 VanDerWaalsContact O-CB 3.28Å; S217-A220 WeakPolarHBondContact O-CB 3.32Å; S217-A220 PolarHBondContact O-N 2.77Å; S217-A220 VanDerWaalsContact O-N 3.14Å
218L96.3Very high94.4Very high1 Ų144.2 Ų44.21%0.00525%0.248CC..G310 helixtrans-57.7-40.9-175.8-67.3173.4000114.4I192 M193 S196 I200 K214 I215 A220 Q221I192-L218 HydrophobicContact CG2-CB 3.61Å; I192-L218 HydrophobicContact CG2-CD1 4.45Å; M193-L218 HydrophobicContact SD-CD1 4.25Å; S196-L218 WeakPolarHBondContact OG-CD2 3.47Å; I200-L218 HydrophobicContact CD1-CD1 4Å; I200-L218 HydrophobicContact CG1-CD1 4.46Å; K214-L218 PolarHBondContact O-N 3.09Å; I215-L218 HydrophobicContact CB-CD1 4.36Å; I215-L218 HydrophobicContact CG1-CD1 4.44Å; I215-L218 HydrophobicContact CG2-CD1 4.18Å; I215-L218 VanDerWaalsContact O-CB 3.3Å; I215-L218 WeakPolarHBondContact O-CB 3.25Å; I215-L218 VanDerWaalsContact O-CG 3.22Å; I215-L218 WeakPolarHBondContact O-CG 3.45Å; I215-L218 PolarHBondContact O-N 3.2Å; L218-A220 PolarHBondContact O-N 3.41Å; L218-A220 VanDerWaalsContact O-N 3.12Å; L218-Q221 VanDerWaalsContact CD2-NE2 3.34Å; L218-Q221 WeakPolarHBondContact O-CB 3.37Å; L218-Q221 PolarHBondContact O-N 2.79Å
219P96.3Very high94Very high1 Ų140 Ų401%0.00623%0.229CC..G310 helixtrans-59-26.4178.5-22.532.6000113.6W155 F160 C164 I192 T216 S217 Q221 L222W155-P219 HydrophobicContact CD2-CG 4.3Å; W155-P219 HydrophobicContact CG-CG 4.36Å; W155-P219 HydrophobicContact CZ2-CG 4.25Å; F160-P219 HydrophobicContact CD1-CB 3.87Å; F160-P219 HydrophobicContact CD1-CG 3.82Å; F160-P219 HydrophobicContact CE1-CB 4.32Å; F160-P219 HydrophobicContact CE1-CG 3.92Å; C164-P219 VanDerWaalsContact SG-CB 3.53Å; C164-P219 PolarHBondContact SG-O 2.95Å; C164-P219 VanDerWaalsContact SG-O 3.38Å; I192-P219 HydrophobicContact CD1-CB 4.06Å; I192-P219 HydrophobicContact CD1-CG 4.01Å; I192-P219 HydrophobicContact CG2-CG 4.43Å; T216-P219 WeakPolarHBondContact O-CD 3.17Å; S217-P219 VanDerWaalsContact C-CD 3.45Å; P219-Q221 PolarHBondContact O-N 2.96Å; P219-Q221 VanDerWaalsContact O-N 3.08Å; P219-L222 WeakPolarHBondContact O-CB 3.23Å; P219-L222 PolarHBondContact O-N 2.99Å; P219-L222 VanDerWaalsContact O-N 3.07Å
220A94.9Very high93.9Very high48 Ų4835.5 Ų35.540%0.39720%0.197SC..G310 helixtrans-65.4-13.317900000113.7S163 S217 L218S163-A220 VanDerWaalsContact O-CA 3.23Å; S163-A220 WeakPolarHBondContact O-CA 3.33Å; S163-A220 VanDerWaalsContact O-CB 3.32Å; S163-A220 WeakPolarHBondContact O-CB 3.23Å; S163-A220 PolarHBondContact O-N 2.74Å; S163-A220 VanDerWaalsContact O-N 3.09Å; S217-A220 VanDerWaalsContact O-CB 3.28Å; S217-A220 WeakPolarHBondContact O-CB 3.32Å; S217-A220 PolarHBondContact O-N 2.77Å; S217-A220 VanDerWaalsContact O-N 3.14Å; L218-A220 PolarHBondContact O-N 3.41Å; L218-A220 VanDerWaalsContact O-N 3.12Å
221Q93.6Very high93.7Very high56 Ų5631 Ų3126%0.26218%0.175SC..G310 helixtrans-81.9-19177-57.8-177.245.900112.5L218 P219 Q223 M581L218-Q221 VanDerWaalsContact CD2-NE2 3.34Å; L218-Q221 WeakPolarHBondContact O-CB 3.37Å; L218-Q221 PolarHBondContact O-N 2.79Å; P219-Q221 PolarHBondContact O-N 2.96Å; P219-Q221 VanDerWaalsContact O-N 3.08Å; Q221-Q223 PolarHBondContact O-N 2.82Å; Q221-Q223 PolarHBondContact O-NE2 3.38Å; Q221-M581 HydrophobicContact CB-CE 3.66Å; Q221-M581 HydrophobicContact CB-SD 3.57Å; Q221-M581 VanDerWaalsContact CB-SD 3.57Å
222L94.3Very high93.3Very high4 Ų432.7 Ų32.72%0.02118%0.183CC..  trans-66.7131.4179.3-168.266.1000110.4V168 L172 P219 D226 I227 F230 F582V168-L222 HydrophobicContact CG1-CB 4.1Å; V168-L222 HydrophobicContact CG1-CD2 3.87Å; V168-L222 HydrophobicContact CG1-CG 3.96Å; V168-L222 WeakPolarHBondContact CG2-O 3.38Å; L172-L222 HydrophobicContact CD1-CD2 4Å; L172-L222 HydrophobicContact CD2-CD2 4.08Å; L172-L222 HydrophobicContact CG-CD2 4.31Å; P219-L222 WeakPolarHBondContact O-CB 3.23Å; P219-L222 PolarHBondContact O-N 2.99Å; P219-L222 VanDerWaalsContact O-N 3.07Å; L222-D226 HydrophobicContact CD1-CB 3.89Å; L222-I227 HydrophobicContact CD1-CD1 4.4Å; L222-I227 HydrophobicContact CD2-CD1 3.46Å; L222-I227 VanDerWaalsContact CD2-CD1 3.46Å; L222-I227 HydrophobicContact CG-CD1 3.82Å; L222-F230 HydrophobicContact CD1-CB 4.3Å; L222-F230 HydrophobicContact CD1-CD2 4.35Å; L222-F230 HydrophobicContact CD1-CG 4.29Å; L222-F230 HydrophobicContact CD2-CD1 4.39Å; L222-F582 HydrophobicContact CD1-CE2 4.43Å; L222-F582 HydrophobicContact CD1-CZ 3.91Å
223Q93.3Very high93.1Very high71 Ų7133.1 Ų33.133%0.33218%0.184SC..  trans-103.1162.3175.2-56.5-51.2-56.500111.2Q221 E225 D226Q221-Q223 PolarHBondContact O-N 2.82Å; Q221-Q223 PolarHBondContact O-NE2 3.38Å; Q223-E225 VanDerWaalsContact C-N 3.3Å; Q223-E225 HydrophobicContact CB-CG 4.02Å; Q223-E225 PolarHBondContact O-N 3.15Å; Q223-D226 WeakPolarHBondContact O-CB 3.49Å; Q223-D226 PolarHBondContact O-N 2.82Å
224E90.6Very high93.1Very high75 Ų7531.1 Ų31.135%0.3516%0.164SC..G310 helixtrans-64.2-36.2-177.5-174.9173.4178.900112.4N167 V168 D226 I227N167-E224 WeakPolarHBondContact CB-OE2 3.2Å; V168-E224 HydrophobicContact CG2-CB 4.44Å; E224-D226 VanDerWaalsContact C-N 3.27Å; E224-D226 PolarHBondContact O-N 3.4Å; E224-I227 VanDerWaalsContact O-CG1 3.25Å; E224-I227 WeakPolarHBondContact O-CG1 3.44Å; E224-I227 PolarHBondContact O-N 3.27Å
225E88.3Confident92.8Very high82 Ų8229.3 Ų29.338%0.38316%0.157SC..G310 helixtrans-72-16.617763.6-167.6-161.900114.7Q223 I227 R579Q223-E225 VanDerWaalsContact C-N 3.3Å; Q223-E225 HydrophobicContact CB-CG 4.02Å; Q223-E225 PolarHBondContact O-N 3.15Å; E225-I227 VanDerWaalsContact C-N 3.35Å; E225-R579 PolarHBondContact O-NH2 3.19Å
226D90.9Very high92.5Very high4 Ų429.8 Ų29.82%0.02116%0.158CC..G310 helixtrans-85-11.8179.5-77.6-30.1000111.6L222 Q223 E224 D228 D229 F230 R579 F582L222-D226 HydrophobicContact CD1-CB 3.89Å; Q223-D226 WeakPolarHBondContact O-CB 3.49Å; Q223-D226 PolarHBondContact O-N 2.82Å; E224-D226 VanDerWaalsContact C-N 3.27Å; E224-D226 PolarHBondContact O-N 3.4Å; D226-D228 PolarHBondContact O-N 2.92Å; D226-D229 PolarHBondContact O-N 3.12Å; D226-F230 VanDerWaalsContact O-CB 3.28Å; D226-F230 WeakPolarHBondContact O-CB 3.22Å; D226-F230 PolarHBondContact O-N 3.39Å; D226-R579 WeakPolarHBondContact OD1-CB 3.26Å; D226-R579 WeakPolarHBondContact OD1-CD 3.32Å; D226-R579 WeakPolarHBondContact OD1-CG 3.25Å; D226-F582 HydrophobicContact CB-CE2 3.87Å; D226-F582 WeakPolarHBondContact O-CE2 3.43Å
227I92Very high92.4Very high0 Ų029.6 Ų29.60%015%0.154CC..Hα-helixtrans-63.8-41-168.1-63-58.6000113V168 K171 L172 V175 L222 E224 E225 D229 F230 Y231V168-I227 HydrophobicContact CG1-CD1 3.96Å; K171-I227 HydrophobicContact CB-CG1 4.34Å; K171-I227 HydrophobicContact CG-CB 4.08Å; K171-I227 HydrophobicContact CG-CG1 3.96Å; K171-I227 HydrophobicContact CG-CG2 3.87Å; L172-I227 HydrophobicContact CD2-CD1 3.74Å; L172-I227 HydrophobicContact CG-CD1 3.84Å; V175-I227 HydrophobicContact CG2-CG2 4.3Å; L222-I227 HydrophobicContact CD1-CD1 4.4Å; L222-I227 HydrophobicContact CD2-CD1 3.46Å; L222-I227 VanDerWaalsContact CD2-CD1 3.46Å; L222-I227 HydrophobicContact CG-CD1 3.82Å; E224-I227 VanDerWaalsContact O-CG1 3.25Å; E224-I227 WeakPolarHBondContact O-CG1 3.44Å; E224-I227 PolarHBondContact O-N 3.27Å; E225-I227 VanDerWaalsContact C-N 3.35Å; I227-D229 PolarHBondContact O-N 2.86Å; I227-F230 WeakPolarHBondContact O-CB 3.34Å; I227-F230 PolarHBondContact O-N 3.27Å; I227-Y231 HydrophobicContact CG2-CD2 3.52Å; I227-Y231 HydrophobicContact CG2-CE2 3.63Å; I227-Y231 VanDerWaalsContact O-CD2 3.28Å; I227-Y231 WeakPolarHBondContact O-CD2 3.42Å; I227-Y231 PolarHBondContact O-N 2.94Å
228D86.9Confident92.3Very high87 Ų8727.7 Ų27.747%0.46514%0.14SC..Hα-helixtrans-67.7-39-178.2-63-39.2000112D226 Y231 Q232D226-D228 PolarHBondContact O-N 2.92Å; D228-Y231 PolarHBondContact O-N 3.18Å; D228-Q232 WeakPolarHBondContact O-CG 3.34Å; D228-Q232 PolarHBondContact O-N 3.39Å; D228-Q232 VanDerWaalsContact O-N 3.14Å; D228-Q232 PolarHBondContact O-NE2 3.02Å
229D87.4Confident92.1Very high3 Ų329.1 Ų29.12%0.01615%0.147CC..Hα-helixtrans-70.7-39.3175.8-72.4-27.4000110.9D226 I227 Y231 Q232 L233 R579 F582 L585 R606D226-D229 PolarHBondContact O-N 3.12Å; I227-D229 PolarHBondContact O-N 2.86Å; D229-Y231 VanDerWaalsContact C-N 3.33Å; D229-Y231 PolarHBondContact O-N 2.96Å; D229-Q232 PolarHBondContact O-N 3.17Å; D229-Q232 PolarHBondContact OD1-NE2 2.92Å; D229-L233 PolarHBondContact O-N 2.87Å; D229-R579 HydrophobicContact CB-CG 4.33Å; D229-R579 WeakPolarHBondContact OD2-CG 3.5Å; D229-R579 IonicContact OD2-CZ 3.46Å; D229-R579 IonicContact OD2-NE 3.03Å; D229-R579 PolarHBondContact OD2-NE 3.17Å; D229-F582 HydrophobicContact CB-CD2 4.01Å; D229-F582 HydrophobicContact CB-CE2 4.35Å; D229-L585 HydrophobicContact CB-CD2 3.58Å; D229-R606 IonicContact OD1-CZ 3.96Å; D229-R606 IonicContact OD1-NE 3.64Å; D229-R606 PolarHBondContact OD1-NE 2.85Å; D229-R606 IonicContact OD1-NH2 3Å
230F93.2Very high91.9Very high1 Ų130 Ų300%0.00415%0.151CC..Hα-helixtrans-55.9-47.8172.1176.9-113.1000111.4L172 M188 V191 I192 L222 D226 I227 Q232 L233 V234 F582L172-F230 HydrophobicContact CD2-CD1 3.9Å; L172-F230 HydrophobicContact CD2-CE1 3.66Å; M188-F230 HydrophobicContact CB-CE1 4Å; M188-F230 HydrophobicContact CB-CZ 3.7Å; M188-F230 HydrophobicContact CG-CE1 3.81Å; M188-F230 HydrophobicContact CG-CZ 4.03Å; M188-F230 WeakPolarHBondContact O-CZ 3.45Å; M188-F230 HydrophobicContact SD-CE1 4.48Å; V191-F230 HydrophobicContact CB-CD2 4.22Å; V191-F230 HydrophobicContact CB-CE2 3.72Å; V191-F230 HydrophobicContact CG1-CD2 3.63Å; V191-F230 HydrophobicContact CG1-CE2 3.61Å; I192-F230 HydrophobicContact CD1-CE2 4.48Å; I192-F230 HydrophobicContact CD1-CZ 4.28Å; I192-F230 HydrophobicContact CG1-CE2 3.81Å; I192-F230 HydrophobicContact CG1-CZ 4.08Å; L222-F230 HydrophobicContact CD1-CB 4.3Å; L222-F230 HydrophobicContact CD1-CD2 4.35Å; L222-F230 HydrophobicContact CD1-CG 4.29Å; L222-F230 HydrophobicContact CD2-CD1 4.39Å; D226-F230 VanDerWaalsContact O-CB 3.28Å; D226-F230 WeakPolarHBondContact O-CB 3.22Å; D226-F230 PolarHBondContact O-N 3.39Å; I227-F230 WeakPolarHBondContact O-CB 3.34Å; I227-F230 PolarHBondContact O-N 3.27Å; F230-Q232 PolarHBondContact O-N 3.44Å; F230-L233 WeakPolarHBondContact O-CB 3.36Å; F230-L233 PolarHBondContact O-N 2.93Å; F230-V234 HydrophobicContact CD1-CG2 4.28Å; F230-V234 HydrophobicContact CE1-CG2 3.99Å; F230-V234 HydrophobicContact CE2-CG2 4.34Å; F230-V234 HydrophobicContact CZ-CG2 4.03Å; F230-V234 WeakPolarHBondContact O-CG2 3.44Å; F230-V234 PolarHBondContact O-N 2.8Å; F230-F582 HydrophobicContact CB-CE1 4.46Å; F230-F582 HydrophobicContact CB-CE2 3.82Å; F230-F582 HydrophobicContact CB-CZ 3.52Å; F230-F582 AromaticContact CD2-CE1 3.9Å; F230-F582 HydrophobicContact CD2-CE1 3.9Å; F230-F582 AromaticContact CD2-CZ 3.59Å; F230-F582 HydrophobicContact CD2-CZ 3.59Å; F230-F582 HydrophobicContact CG-CZ 4.02Å
231Y91.9Very high91.8Very high11 Ų1127.7 Ų27.74%0.04313%0.132CC..Hα-helixtrans-69.3-32-179-91.2-71.2000113.6L172 V175 Y176 H179 E184 M188 I227 D228 D229 L233 V234 Q235L172-Y231 HydrophobicContact CD2-CE2 3.89Å; L172-Y231 PolarHBondContact O-OH 2.94Å; V175-Y231 HydrophobicContact CB-CD2 3.86Å; V175-Y231 HydrophobicContact CB-CE1 4.27Å; V175-Y231 HydrophobicContact CB-CE2 3.35Å; V175-Y231 HydrophobicContact CB-CG 4.5Å; V175-Y231 HydrophobicContact CG1-CD1 3.72Å; V175-Y231 HydrophobicContact CG1-CD2 3.45Å; V175-Y231 VanDerWaalsContact CG1-CD2 3.45Å; V175-Y231 HydrophobicContact CG1-CE1 3.65Å; V175-Y231 HydrophobicContact CG1-CE2 3.37Å; V175-Y231 HydrophobicContact CG1-CG 3.62Å; V175-Y231 VanDerWaalsContact CG1-CZ 3.45Å; V175-Y231 HydrophobicContact CG2-CD2 4.18Å; V175-Y231 HydrophobicContact CG2-CE2 3.94Å; Y176-Y231 PolarHBondContact N-OH 3.12Å; H179-Y231 AromaticContact CE1-CD1 3.76Å; E184-Y231 WeakPolarHBondContact OE1-CE1 3.12Å; M188-Y231 HydrophobicContact CE-CE1 3.74Å; M188-Y231 WeakPolarHBondContact CE-OH 3.45Å; I227-Y231 HydrophobicContact CG2-CD2 3.52Å; I227-Y231 HydrophobicContact CG2-CE2 3.63Å; I227-Y231 VanDerWaalsContact O-CD2 3.28Å; I227-Y231 WeakPolarHBondContact O-CD2 3.42Å; I227-Y231 PolarHBondContact O-N 2.94Å; D228-Y231 PolarHBondContact O-N 3.18Å; D229-Y231 VanDerWaalsContact C-N 3.33Å; D229-Y231 PolarHBondContact O-N 2.96Å; Y231-L233 VanDerWaalsContact C-N 3.29Å; Y231-L233 PolarHBondContact O-N 3.48Å; Y231-V234 HydrophobicContact CD1-CB 4.29Å; Y231-V234 HydrophobicContact CD1-CG1 4.33Å; Y231-V234 WeakPolarHBondContact O-CB 3.39Å; Y231-V234 PolarHBondContact O-N 2.87Å; Y231-Q235 WeakPolarHBondContact O-CG 3.48Å; Y231-Q235 PolarHBondContact O-N 3.17Å
232Q88.5Confident91.8Very high36 Ų3625 Ų2517%0.16812%0.119CC..Hα-helixtrans-62-40.1171.4-74172.95900111.8D228 D229 F230 Q235 F236 L531 R606D228-Q232 WeakPolarHBondContact O-CG 3.34Å; D228-Q232 PolarHBondContact O-N 3.39Å; D228-Q232 VanDerWaalsContact O-N 3.14Å; D228-Q232 PolarHBondContact O-NE2 3.02Å; D229-Q232 PolarHBondContact O-N 3.17Å; D229-Q232 PolarHBondContact OD1-NE2 2.92Å; F230-Q232 PolarHBondContact O-N 3.44Å; Q232-Q235 PolarHBondContact O-N 3.02Å; Q232-F236 VanDerWaalsContact O-CB 3.31Å; Q232-F236 WeakPolarHBondContact O-CB 3.29Å; Q232-F236 PolarHBondContact O-N 3.05Å; Q232-L531 HydrophobicContact CB-CD1 4.35Å; Q232-R606 VanDerWaalsContact CD-CD 3.5Å; Q232-R606 VanDerWaalsContact NE2-CD 3.3Å; Q232-R606 VanDerWaalsContact NE2-NE 3.16Å
233L92.9Very high91.7Very high17 Ų1728.9 Ų28.99%0.08914%0.137CC..Hα-helixtrans-66.9-40.3173.4-66.7176.1000111.7V191 D229 F230 Y231 Q235 F236 Y237 F582 V608V191-L233 HydrophobicContact CG1-CB 3.83Å; V191-L233 HydrophobicContact CG1-CD1 4.07Å; V191-L233 HydrophobicContact CG2-CB 4.04Å; D229-L233 PolarHBondContact O-N 2.87Å; F230-L233 WeakPolarHBondContact O-CB 3.36Å; F230-L233 PolarHBondContact O-N 2.93Å; Y231-L233 VanDerWaalsContact C-N 3.29Å; Y231-L233 PolarHBondContact O-N 3.48Å; L233-Q235 PolarHBondContact O-N 2.94Å; L233-F236 WeakPolarHBondContact O-CB 3.33Å; L233-F236 PolarHBondContact O-N 3.24Å; L233-Y237 WeakPolarHBondContact O-CD2 3.47Å; L233-Y237 PolarHBondContact O-N 3.45Å; L233-F582 HydrophobicContact CD1-CB 4.05Å; L233-F582 HydrophobicContact CD1-CD1 3.37Å; L233-F582 HydrophobicContact CD1-CE1 4.02Å; L233-F582 HydrophobicContact CD1-CG 3.74Å; L233-V608 HydrophobicContact CD2-CG2 4.12Å
234V95.5Very high91.6Very high0 Ų025.5 Ų25.50%012%0.121CC..Hα-helixtrans-56.1-51.6174.8166.30000110.2E184 F187 M188 V191 F230 Y231 F236 Y237 M238E184-V234 HydrophobicContact CG-CG1 3.61Å; F187-V234 HydrophobicContact CB-CG1 3.86Å; M188-V234 HydrophobicContact CG-CG2 4.08Å; V191-V234 HydrophobicContact CB-CG2 4.31Å; V191-V234 HydrophobicContact CG2-CB 4.47Å; V191-V234 HydrophobicContact CG2-CG2 3.81Å; F230-V234 HydrophobicContact CD1-CG2 4.28Å; F230-V234 HydrophobicContact CE1-CG2 3.99Å; F230-V234 HydrophobicContact CE2-CG2 4.34Å; F230-V234 HydrophobicContact CZ-CG2 4.03Å; F230-V234 WeakPolarHBondContact O-CG2 3.44Å; F230-V234 PolarHBondContact O-N 2.8Å; Y231-V234 HydrophobicContact CD1-CB 4.29Å; Y231-V234 HydrophobicContact CD1-CG1 4.33Å; Y231-V234 WeakPolarHBondContact O-CB 3.39Å; Y231-V234 PolarHBondContact O-N 2.87Å; V234-F236 VanDerWaalsContact C-N 3.34Å; V234-F236 PolarHBondContact O-N 3.35Å; V234-Y237 PolarHBondContact O-N 3.36Å; V234-M238 HydrophobicContact CG1-CG 4.36Å; V234-M238 HydrophobicContact CG1-SD 3.64Å; V234-M238 WeakPolarHBondContact O-CB 3.47Å; V234-M238 WeakPolarHBondContact O-CG 3.29Å; V234-M238 PolarHBondContact O-N 3.32Å
235Q91.8Very high91.8Very high33 Ų3322 Ų2215%0.15411%0.105CC..Hα-helixtrans-62.8-39.1178-65.9-61.3-30.900112.2E184 Y231 Q232 L233 Y237 M238 N239E184-Q235 PolarHBondContact OE2-NE2 2.93Å; E184-Q235 VanDerWaalsContact OE2-NE2 3.1Å; Y231-Q235 WeakPolarHBondContact O-CG 3.48Å; Y231-Q235 PolarHBondContact O-N 3.17Å; Q232-Q235 PolarHBondContact O-N 3.02Å; L233-Q235 PolarHBondContact O-N 2.94Å; Q235-Y237 VanDerWaalsContact C-N 3.34Å; Q235-Y237 PolarHBondContact O-N 3Å; Q235-M238 WeakPolarHBondContact O-CB 3.31Å; Q235-M238 PolarHBondContact O-N 3.49Å; Q235-N239 WeakPolarHBondContact O-CB 3.47Å; Q235-N239 VanDerWaalsContact O-CG 3.32Å; Q235-N239 PolarHBondContact O-N 3.42Å; Q235-N239 PolarHBondContact O-ND2 2.77Å
236F91.2Very high91.9Very high9 Ų919.5 Ų19.54%0.0399%0.092CC..Hα-helixtrans-56.9-44.2175.8170.2-88.3000112.7Q232 L233 V234 R240 K529 L531Q232-F236 VanDerWaalsContact O-CB 3.31Å; Q232-F236 WeakPolarHBondContact O-CB 3.29Å; Q232-F236 PolarHBondContact O-N 3.05Å; L233-F236 WeakPolarHBondContact O-CB 3.33Å; L233-F236 PolarHBondContact O-N 3.24Å; V234-F236 VanDerWaalsContact C-N 3.34Å; V234-F236 PolarHBondContact O-N 3.35Å; F236-R240 PolarHBondContact O-NH1 2.7Å; F236-K529 HydrophobicContact CE2-CB 4.36Å; F236-K529 HydrophobicContact CE2-CD 3.61Å; F236-K529 HydrophobicContact CZ-CD 3.74Å; F236-L531 HydrophobicContact CD2-CD2 3.64Å; F236-L531 HydrophobicContact CE2-CD2 4.28Å; F236-L531 HydrophobicContact CG-CD2 4.45Å
237Y94.5Very high91.8Very high34 Ų3424.8 Ų24.813%0.13311%0.111CC..Hα-helixtrans-77.7-33177.6-75.4-72000112.7H133 L190 V191 I194 L233 V234 Q235 N239 R240 T241H133-Y237 HydrophobicContact CB-CD1 4.46Å; H133-Y237 HydrophobicContact CB-CE1 4.5Å; H133-Y237 AromaticContact CE1-CD1 3.89Å; H133-Y237 AromaticContact CG-CD1 3.97Å; H133-Y237 AromaticContact ND1-CD1 3.47Å; H133-Y237 WeakPolarHBondContact ND1-CD1 3.4Å; L190-Y237 HydrophobicContact CD2-CD1 4.11Å; L190-Y237 HydrophobicContact CD2-CG 3.99Å; V191-Y237 HydrophobicContact CG2-CD2 3.78Å; V191-Y237 HydrophobicContact CG2-CE2 4.3Å; I194-Y237 HydrophobicContact CD1-CD1 4.09Å; I194-Y237 HydrophobicContact CD1-CD2 4.33Å; I194-Y237 HydrophobicContact CD1-CE1 3.48Å; I194-Y237 VanDerWaalsContact CD1-CE1 3.48Å; I194-Y237 HydrophobicContact CD1-CE2 3.77Å; I194-Y237 HydrophobicContact CD1-CG 4.49Å; L233-Y237 WeakPolarHBondContact O-CD2 3.47Å; L233-Y237 PolarHBondContact O-N 3.45Å; V234-Y237 PolarHBondContact O-N 3.36Å; Q235-Y237 VanDerWaalsContact C-N 3.34Å; Q235-Y237 PolarHBondContact O-N 3Å; Y237-N239 VanDerWaalsContact C-N 3.32Å; Y237-N239 PolarHBondContact O-N 2.77Å; Y237-R240 CarbonylContact O-C 3.51Å; Y237-R240 PolarHBondContact O-N 3.11Å; Y237-R240 VanDerWaalsContact O-N 3.15Å; Y237-T241 PolarHBondContact O-N 3.31Å; Y237-T241 PolarHBondContact O-OG1 3.37Å
238M94.1Very high91.5Very high9 Ų928 Ų284%0.04413%0.129CC..Hα-helixtrans-59.3-42.4173.7-78.7175.372.900112.2D181 E184 F187 V234 Q235 R240 T241 R246D181-M238 VanDerWaalsContact OD2-CE 3.25Å; D181-M238 WeakPolarHBondContact OD2-CE 3.28Å; E184-M238 HydrophobicContact CB-CE 4.44Å; E184-M238 HydrophobicContact CB-SD 4.4Å; E184-M238 HydrophobicContact CG-CE 4.29Å; E184-M238 HydrophobicContact CG-SD 3.76Å; F187-M238 HydrophobicContact CB-CG 3.81Å; F187-M238 HydrophobicContact CB-SD 4.39Å; F187-M238 HydrophobicContact CD1-CB 4.36Å; F187-M238 HydrophobicContact CD1-CG 3.57Å; F187-M238 HydrophobicContact CD2-CG 3.44Å; F187-M238 VanDerWaalsContact CD2-CG 3.44Å; F187-M238 HydrophobicContact CD2-SD 4.21Å; F187-M238 HydrophobicContact CE1-CB 4.41Å; F187-M238 HydrophobicContact CE1-CG 3.93Å; F187-M238 HydrophobicContact CE2-CG 3.81Å; F187-M238 HydrophobicContact CG-CB 4.49Å; F187-M238 HydrophobicContact CG-CG 3.3Å; F187-M238 HydrophobicContact CG-SD 4.31Å; F187-M238 HydrophobicContact CZ-CG 4.05Å; V234-M238 HydrophobicContact CG1-CG 4.36Å; V234-M238 HydrophobicContact CG1-SD 3.64Å; V234-M238 WeakPolarHBondContact O-CB 3.47Å; V234-M238 WeakPolarHBondContact O-CG 3.29Å; V234-M238 PolarHBondContact O-N 3.32Å; Q235-M238 WeakPolarHBondContact O-CB 3.31Å; Q235-M238 PolarHBondContact O-N 3.49Å; M238-R240 PolarHBondContact O-N 3.39Å; M238-T241 PolarHBondContact O-N 2.93Å; M238-R246 VanDerWaalsContact CB-NH2 3.27Å; M238-R246 VanDerWaalsContact CE-NH2 3.34Å; M238-R246 VanDerWaalsContact CG-NH2 3.34Å
239N91.2Very high91.6Very high31 Ų3125.2 Ų25.217%0.16611%0.112CC..THydrogen-bonded Turntrans-71.5-16178.8-69.9-21.1000112.7Q235 Y237 H290 A534 G535Q235-N239 WeakPolarHBondContact O-CB 3.47Å; Q235-N239 VanDerWaalsContact O-CG 3.32Å; Q235-N239 PolarHBondContact O-N 3.42Å; Q235-N239 PolarHBondContact O-ND2 2.77Å; Y237-N239 VanDerWaalsContact C-N 3.32Å; Y237-N239 PolarHBondContact O-N 2.77Å; N239-H290 WeakPolarHBondContact O-CB 3.35Å; N239-A534 PolarHBondContact ND2-O 2.85Å; N239-G535 VanDerWaalsContact ND2-C 3.31Å; N239-G535 PolarHBondContact ND2-O 2.81Å
240R92Very high91.7Very high19 Ų1929.4 Ų29.47%0.07213%0.131CC..THydrogen-bonded Turntrans-104.322175.7-70.6178.5169.670.66.9113.2H133 F236 Y237 M238 D344 H346 S537H133-R240 PolarHBondContact CE1-O 3.48Å; F236-R240 PolarHBondContact O-NH1 2.7Å; Y237-R240 CarbonylContact O-C 3.51Å; Y237-R240 PolarHBondContact O-N 3.11Å; Y237-R240 VanDerWaalsContact O-N 3.15Å; M238-R240 PolarHBondContact O-N 3.39Å; R240-D344 IonicContact CZ-OD2 3.69Å; R240-D344 IonicContact NE-OD2 2.58Å; R240-D344 PolarHBondContact NE-OD2 3.18Å; R240-D344 IonicContact NH2-OD2 3.01Å; R240-D344 PolarHBondContact NH2-OD2 3.07Å; R240-H346 PolarHBondContact O-CE1 3.09Å; R240-S537 VanDerWaalsContact CZ-OG 3.32Å; R240-S537 PolarHBondContact NH1-OG 3.01Å; R240-S537 PolarHBondContact NH2-OG 3.11Å
241T94.7Very high91.4Very high0 Ų030.5 Ų30.50%014%0.143CC..SBendtrans-124.2128.6178.5-56.90000110.4L129 H133 F187 Y237 M238 Q243 F245 L272 I291L129-T241 HydrophobicContact CD1-CG2 3.73Å; H133-T241 PolarHBondContact CE1-OG1 3Å; H133-T241 PolarHBondContact NE2-OG1 3.12Å; F187-T241 HydrophobicContact CE1-CG2 4.08Å; F187-T241 VanDerWaalsContact CE1-OG1 3.32Å; F187-T241 WeakPolarHBondContact CE1-OG1 3.23Å; F187-T241 HydrophobicContact CZ-CG2 3.95Å; Y237-T241 PolarHBondContact O-N 3.31Å; Y237-T241 PolarHBondContact O-OG1 3.37Å; M238-T241 PolarHBondContact O-N 2.93Å; T241-Q243 PolarHBondContact O-N 2.86Å; T241-F245 HydrophobicContact CG2-CB 3.86Å; T241-F245 HydrophobicContact CG2-CD1 4.4Å; T241-F245 HydrophobicContact CG2-CD2 4.46Å; T241-F245 HydrophobicContact CG2-CG 4Å; T241-L272 HydrophobicContact CG2-CD2 4.29Å; T241-I291 WeakPolarHBondContact O-CD1 3.49Å
242P93.6Very high91Very high0 Ų032.1 Ų32.10%016%0.155CC..  trans-50.9136.4178.3-28.934.6000112.4Y132 S244 F245 L272 V274 E278 I291 F293Y132-P242 HydrophobicContact CE1-CG 4.39Å; Y132-P242 WeakPolarHBondContact OH-CD 3.28Å; Y132-P242 WeakPolarHBondContact OH-CG 3.34Å; P242-S244 PolarHBondContact O-N 3.23Å; P242-F245 WeakPolarHBondContact O-CB 3.34Å; P242-F245 PolarHBondContact O-N 3.41Å; P242-L272 HydrophobicContact CB-CD2 4.19Å; P242-L272 HydrophobicContact CG-CD2 3.84Å; P242-V274 HydrophobicContact CB-CG2 3.87Å; P242-V274 HydrophobicContact CG-CG2 3.87Å; P242-E278 WeakPolarHBondContact CA-OE1 3.32Å; P242-E278 WeakPolarHBondContact CB-OE1 3.41Å; P242-I291 HydrophobicContact CG-CD1 4.32Å; P242-I291 VanDerWaalsContact N-CD1 3.35Å; P242-F293 HydrophobicContact CB-CZ 4.1Å; P242-F293 HydrophobicContact CG-CE1 3.97Å; P242-F293 HydrophobicContact CG-CZ 3.84Å
243Q91.4Very high91.1Very high85 Ų8530.6 Ų30.640%0.39715%0.148SC..THydrogen-bonded Turntrans-64.3-23.6-178.2-65.1-59.1-21.200112.8T241 F245 R246 R247 E278T241-Q243 PolarHBondContact O-N 2.86Å; Q243-F245 PolarHBondContact O-N 3.01Å; Q243-F245 VanDerWaalsContact O-N 3.16Å; Q243-R246 PolarHBondContact O-N 3.2Å; Q243-R247 PolarHBondContact O-N 3.22Å; Q243-E278 VanDerWaalsContact N-CD 3.28Å; Q243-E278 PolarHBondContact N-OE1 3.43Å; Q243-E278 PolarHBondContact N-OE2 3.33Å
244S92Very high91Very high0 Ų030.5 Ų30.50%015%0.147CC..Hα-helixtrans-50.4-32.7167.1-1020000113P242 R246 R247 D248 S275 E278P242-S244 PolarHBondContact O-N 3.23Å; S244-R246 VanDerWaalsContact C-N 3.29Å; S244-R246 PolarHBondContact O-N 3.46Å; S244-R247 PolarHBondContact OG-NH2 2.95Å; S244-D248 VanDerWaalsContact CB-OD2 3.28Å; S244-D248 WeakPolarHBondContact CB-OD2 3.32Å; S244-D248 VanDerWaalsContact O-CB 3.31Å; S244-D248 WeakPolarHBondContact O-CB 3.39Å; S244-D248 PolarHBondContact O-N 3.32Å; S244-D248 PolarHBondContact OG-OD2 3.32Å; S244-S275 WeakPolarHBondContact OG-CB 3.39Å; S244-S275 PolarHBondContact OG-N 3.13Å; S244-S275 PolarHBondContact OG-OG 3.42Å; S244-E278 VanDerWaalsContact CB-OE2 3.25Å; S244-E278 WeakPolarHBondContact CB-OE2 3.44Å; S244-E278 PolarHBondContact N-OE2 3.37Å; S244-E278 PolarHBondContact OG-OE2 2.95Å
245F92.9Very high90.2Very high0 Ų031.2 Ų31.20%015%0.154CC..Hα-helixtrans-56.8-40.7175.2179.7-94000112.7L125 L129 F183 F186 F187 T241 P242 Q243 Y249 L272L125-F245 HydrophobicContact CD1-CD2 3.62Å; L125-F245 HydrophobicContact CD1-CE2 3.29Å; L125-F245 HydrophobicContact CD1-CZ 4.04Å; L125-F245 HydrophobicContact CD2-CE1 4.43Å; L125-F245 HydrophobicContact CD2-CE2 4.01Å; L125-F245 HydrophobicContact CD2-CZ 3.88Å; L125-F245 HydrophobicContact CG-CD2 4.22Å; L125-F245 HydrophobicContact CG-CE2 3.42Å; L125-F245 VanDerWaalsContact CG-CE2 3.42Å; L125-F245 HydrophobicContact CG-CZ 3.68Å; L129-F245 HydrophobicContact CB-CE2 3.85Å; L129-F245 HydrophobicContact CB-CZ 4.11Å; L129-F245 HydrophobicContact CD1-CD2 4.47Å; L129-F245 HydrophobicContact CD1-CE2 4.15Å; L129-F245 HydrophobicContact CD1-CZ 4.27Å; L129-F245 HydrophobicContact CD2-CE1 4.5Å; L129-F245 HydrophobicContact CD2-CZ 3.98Å; L129-F245 HydrophobicContact CG-CE2 4.39Å; L129-F245 HydrophobicContact CG-CZ 4.35Å; F183-F245 HydrophobicContact CB-CE1 4.5Å; F183-F245 HydrophobicContact CD1-CD1 4.04Å; F183-F245 AromaticContact CD1-CE1 3.74Å; F183-F245 HydrophobicContact CD1-CE1 3.74Å; F183-F245 WeakPolarHBondContact CE1-O 3.03Å; F186-F245 HydrophobicContact CB-CE1 4.3Å; F186-F245 HydrophobicContact CB-CZ 4.05Å; F186-F245 HydrophobicContact CD2-CE1 4.28Å; F186-F245 HydrophobicContact CD2-CZ 4.28Å; F186-F245 HydrophobicContact CG-CZ 4.21Å; F187-F245 HydrophobicContact CE2-CD1 4.1Å; F187-F245 AromaticContact CE2-CE1 3.84Å; F187-F245 HydrophobicContact CE2-CE1 3.84Å; F187-F245 AromaticContact CZ-CD1 3.94Å; F187-F245 HydrophobicContact CZ-CD1 3.94Å; F187-F245 AromaticContact CZ-CE1 3.95Å; F187-F245 HydrophobicContact CZ-CE1 3.95Å; T241-F245 HydrophobicContact CG2-CB 3.86Å; T241-F245 HydrophobicContact CG2-CD1 4.4Å; T241-F245 HydrophobicContact CG2-CD2 4.46Å; T241-F245 HydrophobicContact CG2-CG 4Å; P242-F245 WeakPolarHBondContact O-CB 3.34Å; P242-F245 PolarHBondContact O-N 3.41Å; Q243-F245 PolarHBondContact O-N 3.01Å; Q243-F245 VanDerWaalsContact O-N 3.16Å; F245-Y249 WeakPolarHBondContact O-CD2 3.47Å; F245-L272 HydrophobicContact CB-CD1 4.33Å; F245-L272 HydrophobicContact CB-CD2 4.38Å; F245-L272 HydrophobicContact CD2-CD1 3.77Å
246R91.4Very high89.1Confident30 Ų3033.5 Ų33.511%0.11317%0.174CC..Hα-helixtrans-84.2-52.2177.5-59.9-174.3-174.974.77.9110.9D181 F183 M238 Q243 S244 D248 Y249 H250D181-R246 WeakPolarHBondContact OD2-CD 3.36Å; D181-R246 IonicContact OD2-CZ 3.79Å; D181-R246 IonicContact OD2-NE 2.66Å; D181-R246 PolarHBondContact OD2-NE 3.26Å; F183-R246 HydrophobicContact CB-CG 3.85Å; F183-R246 HydrophobicContact CD1-CB 4.5Å; F183-R246 HydrophobicContact CD1-CG 4.3Å; F183-R246 HydrophobicContact CD2-CB 3.98Å; F183-R246 HydrophobicContact CD2-CG 4.1Å; F183-R246 HydrophobicContact CE2-CB 4.27Å; F183-R246 WeakPolarHBondContact CE2-O 3.43Å; F183-R246 HydrophobicContact CG-CB 4.11Å; F183-R246 HydrophobicContact CG-CG 3.82Å; F183-R246 WeakPolarHBondContact CZ-O 3.41Å; M238-R246 VanDerWaalsContact CB-NH2 3.27Å; M238-R246 VanDerWaalsContact CE-NH2 3.34Å; M238-R246 VanDerWaalsContact CG-NH2 3.34Å; Q243-R246 PolarHBondContact O-N 3.2Å; S244-R246 VanDerWaalsContact C-N 3.29Å; S244-R246 PolarHBondContact O-N 3.46Å; R246-D248 PolarHBondContact O-N 3.47Å; R246-Y249 PolarHBondContact O-N 3.34Å; R246-H250 WeakPolarHBondContact O-CB 3.37Å; R246-H250 PolarHBondContact O-N 3.05Å
247R88.5Confident87.3Confident115 Ų11539.8 Ų39.843%0.43421%0.208SC..Hα-helixtrans-63.4-45.1-168.9-168.2-168.766.1-138.4-16.9112.5Q243 S244 Y249 S275Q243-R247 PolarHBondContact O-N 3.22Å; S244-R247 PolarHBondContact OG-NH2 2.95Å; R247-Y249 VanDerWaalsContact C-N 3.28Å; R247-Y249 PolarHBondContact O-N 3.12Å; R247-S275 PolarHBondContact NH1-OG 3.46Å; R247-S275 PolarHBondContact NH2-OG 3.42Å
248D86.2Confident84.7Confident68 Ų6847.1 Ų47.136%0.36424%0.241SC..THydrogen-bonded Turntrans-79.6-16.5-171-57.3-21000112S244 R246S244-D248 VanDerWaalsContact CB-OD2 3.28Å; S244-D248 WeakPolarHBondContact CB-OD2 3.32Å; S244-D248 VanDerWaalsContact O-CB 3.31Å; S244-D248 WeakPolarHBondContact O-CB 3.39Å; S244-D248 PolarHBondContact O-N 3.32Å; S244-D248 PolarHBondContact OG-OD2 3.32Å; R246-D248 PolarHBondContact O-N 3.47Å
249Y88.4Confident82.3Confident29 Ų2950.9 Ų50.911%0.11427%0.265CS..THydrogen-bonded Turntrans-108.5-8.7-177.1-65-91.8000113.9L125 F245 R246 R247 G251 P252 L253 L267L125-Y249 HydrophobicContact CD1-CD1 3.87Å; L125-Y249 HydrophobicContact CD1-CD2 3.98Å; L125-Y249 HydrophobicContact CD1-CE1 3.79Å; L125-Y249 HydrophobicContact CD1-CE2 3.94Å; L125-Y249 HydrophobicContact CD1-CG 3.94Å; L125-Y249 HydrophobicContact CD2-CD1 4.14Å; L125-Y249 HydrophobicContact CD2-CG 3.99Å; L125-Y249 HydrophobicContact CG-CD1 4.49Å; F245-Y249 WeakPolarHBondContact O-CD2 3.47Å; R246-Y249 PolarHBondContact O-N 3.34Å; R247-Y249 VanDerWaalsContact C-N 3.28Å; R247-Y249 PolarHBondContact O-N 3.12Å; Y249-G251 PolarHBondContact O-N 2.8Å; Y249-P252 WeakPolarHBondContact O-CD 3.43Å; Y249-L253 WeakPolarHBondContact O-CB 3.45Å; Y249-L253 PolarHBondContact O-N 3.46Å; Y249-L267 HydrophobicContact CE1-CD1 3.43Å; Y249-L267 VanDerWaalsContact CE1-CD1 3.43Å; Y249-L267 HydrophobicContact CE1-CD2 4.32Å; Y249-L267 WeakPolarHBondContact OH-CD1 3.41Å; Y249-L267 WeakPolarHBondContact OH-CD2 3.29Å
250H90.1Very high79.6Confident90 Ų9057.6 Ų57.642%0.41730%0.295SS..Hα-helixtrans-60.9-48.1-176.4-176.4-71.5000111.7F183 R246 F254 G255F183-H250 HydrophobicContact CE2-CB 3.93Å; F183-H250 HydrophobicContact CZ-CB 4.21Å; R246-H250 WeakPolarHBondContact O-CB 3.37Å; R246-H250 PolarHBondContact O-N 3.05Å; H250-F254 CarbonylContact O-C 3.6Å; H250-F254 WeakPolarHBondContact O-CA 3.34Å; H250-F254 PolarHBondContact O-N 3.44Å; H250-G255 PolarHBondContact O-N 2.71Å
251G86.4Confident76.9Confident25 Ų2564.4 Ų64.426%0.25833%0.33SS..Hα-helixtrans-58-57177.800000112.7Y249 L253 G255Y249-G251 PolarHBondContact O-N 2.8Å; G251-L253 PolarHBondContact O-N 2.9Å; G251-G255 VanDerWaalsContact O-CA 3.3Å; G251-G255 WeakPolarHBondContact O-CA 3.44Å; G251-G255 PolarHBondContact O-N 3.48Å
252P84.5Confident74.3Confident44 Ų4471 Ų7129%0.28636%0.363SS..Hα-helixtrans-57.1-42.6178.9-28.635.3000114.5Y249Y249-P252 WeakPolarHBondContact O-CD 3.43Å
253L90.2Very high71.7Confident4 Ų475.8 Ų75.82%0.02139%0.386CS..Hα-helixtrans-89.7-34.9-172.6-66.6-179.9000114.5P113 K114 Q121 A122 L125 F183 F186 Y249 G251P113-L253 HydrophobicContact CB-CB 4.48Å; P113-L253 HydrophobicContact CB-CD2 4.42Å; K114-L253 WeakPolarHBondContact CG-O 3.12Å; K114-L253 PolarHBondContact N-O 3.46Å; Q121-L253 HydrophobicContact CB-CD2 4.02Å; A122-L253 HydrophobicContact CB-CD2 4.45Å; L125-L253 HydrophobicContact CD2-CD1 3.45Å; L125-L253 VanDerWaalsContact CD2-CD1 3.45Å; F183-L253 HydrophobicContact CE1-CD1 4.24Å; F186-L253 HydrophobicContact CE2-CD1 4.23Å; F186-L253 HydrophobicContact CZ-CD1 4.03Å; Y249-L253 WeakPolarHBondContact O-CB 3.45Å; Y249-L253 PolarHBondContact O-N 3.46Å; G251-L253 PolarHBondContact O-N 2.9Å
254F90.3Very high69.3Low15 Ų1574.3 Ų74.37%0.06639%0.385CS..Hα-helixtrans-131.4-9-170.7-56.5-77.6000114K110 P113 P182 F183 F186 H250K110-F254 WeakPolarHBondContact O-CD1 3.47Å; P113-F254 HydrophobicContact CB-CE1 4.15Å; P113-F254 HydrophobicContact CB-CZ 4.24Å; P113-F254 HydrophobicContact CG-CE1 3.83Å; P113-F254 HydrophobicContact CG-CZ 3.76Å; P182-F254 HydrophobicContact CB-CD1 3.93Å; P182-F254 HydrophobicContact CB-CD2 4Å; P182-F254 HydrophobicContact CB-CE1 3.8Å; P182-F254 HydrophobicContact CB-CE2 3.88Å; P182-F254 HydrophobicContact CB-CG 4.02Å; P182-F254 HydrophobicContact CB-CZ 3.77Å; P182-F254 VanDerWaalsContact O-CZ 3.22Å; P182-F254 WeakPolarHBondContact O-CZ 3.45Å; F183-F254 HydrophobicContact CD1-CE2 4.41Å; F183-F254 HydrophobicContact CD2-CD2 4.38Å; F183-F254 HydrophobicContact CD2-CE2 4.01Å; F183-F254 HydrophobicContact CE1-CE2 4.16Å; F183-F254 AromaticContact CE2-CD2 3.75Å; F183-F254 HydrophobicContact CE2-CD2 3.75Å; F183-F254 AromaticContact CE2-CE2 3.72Å; F183-F254 HydrophobicContact CE2-CE2 3.72Å; F183-F254 HydrophobicContact CG-CE2 4.34Å; F183-F254 AromaticContact CZ-CD2 3.94Å; F183-F254 HydrophobicContact CZ-CD2 3.94Å; F183-F254 AromaticContact CZ-CE2 3.79Å; F183-F254 HydrophobicContact CZ-CE2 3.79Å; F186-F254 HydrophobicContact CE2-CE2 4.29Å; F186-F254 HydrophobicContact CE2-CZ 4.2Å; H250-F254 CarbonylContact O-C 3.6Å; H250-F254 WeakPolarHBondContact O-CA 3.34Å; H250-F254 PolarHBondContact O-N 3.44Å
255G79.9Confident66.5Low16 Ų1678.3 Ų78.317%0.16541%0.406CS..SBendtrans-69.8177.5-179.300000113.7K114 H250 G251K114-G255 WeakPolarHBondContact CE-O 3.47Å; K114-G255 PolarHBondContact NZ-O 2.85Å; H250-G255 PolarHBondContact O-N 2.71Å; G251-G255 VanDerWaalsContact O-CA 3.3Å; G251-G255 WeakPolarHBondContact O-CA 3.44Å; G251-G255 PolarHBondContact O-N 3.48Å
256S67.8Low63.9Low81 Ų8181.2 Ų81.257%0.56643%0.43SS*.  trans-83.8155170.155.70000110.7F258 T259S256-F258 PolarHBondContact O-N 3.4Å; S256-T259 PolarHBondContact O-N 3.23Å
257N52.8Low61.7Low141 Ų14182.5 Ų82.575%0.75444%0.439SS*.THydrogen-bonded Turntrans-63.3-2.4-178.1-65.7-14.5000114.4K114K114-N257 PolarHBondContact NZ-OD1 2.89Å
258F41.5Very low59.9Low188 Ų18879.8 Ų79.883%0.82544%0.436SS*.THydrogen-bonded Turntrans-89.3-1.9180-82.2-82.5000114.2S256 E260S256-F258 PolarHBondContact O-N 3.4Å; F258-E260 PolarHBondContact O-N 2.72Å
259T42.4Very low59Low88 Ų8877.9 Ų77.954%0.5443%0.427SS..SBendtrans-74.683.7165.6-38.90000107.7S256 M261S256-T259 PolarHBondContact O-N 3.23Å; T259-M261 PolarHBondContact O-N 3.4Å
260E34.6Very low58.6Low171 Ų17178.2 Ų78.280%0.79943%0.43SS*.THydrogen-bonded Turntrans-40.1120.6174.2-72.6178.115300110.9F258 I262F258-E260 PolarHBondContact O-N 2.72Å; E260-I262 VanDerWaalsContact C-N 3.3Å; E260-I262 PolarHBondContact O-N 3.37Å
261M36.2Very low58.6Low163 Ų16374 Ų7480%0.80341%0.41SS*.THydrogen-bonded Turntrans47.139.2141.5-54.1-171.798.700117.7T259 E263T259-M261 PolarHBondContact O-N 3.4Å; M261-E263 PolarHBondContact O-N 2.93Å; M261-E263 VanDerWaalsContact O-N 3.1Å
262I38.8Very low58.9Low139 Ų13972.8 Ų72.871%0.71340%0.398SS*.  trans-77.280.2135.4-50.9179000103.6E260 S264E260-I262 VanDerWaalsContact C-N 3.3Å; E260-I262 PolarHBondContact O-N 3.37Å; I262-S264 PolarHBondContact O-N 2.96Å
263E39.1Very low59.2Low99 Ų9971.6 Ų71.646%0.46339%0.391SS..  trans-43.2116.9156.8-77.7-175.5160.900104.3M261 N265M261-E263 PolarHBondContact O-N 2.93Å; M261-E263 VanDerWaalsContact O-N 3.1Å; E263-N265 HydrophobicContact CB-CB 4.47Å; E263-N265 PolarHBondContact O-N 3.34Å; E263-N265 PolarHBondContact OE2-ND2 3.29Å
264S40.6Very low59.3Low54 Ų5471.4 Ų71.438%0.37839%0.39SS..  trans-69.257.8168.7-43.60000107.3I262 A266I262-S264 PolarHBondContact O-N 2.96Å; S264-A266 PolarHBondContact O-N 2.88Å
265N34.5Very low59.3Low84 Ų8470.9 Ų70.945%0.44939%0.388SS..  trans-61.4125.7162.8-80.6-25.7000105.2E263E263-N265 HydrophobicContact CB-CB 4.47Å; E263-N265 PolarHBondContact O-N 3.34Å; E263-N265 PolarHBondContact OE2-ND2 3.29Å
266A38.3Very low59.8Low61 Ų6170.6 Ų70.650%0.50438%0.384SS..  trans72.894.2-174.100000113.9S264S264-A266 PolarHBondContact O-N 2.88Å
267L44.4Very low60.8Low57 Ų5771.3 Ų71.330%0.29838%0.378SS..  -142.692.8116.8-78.3117.1000111.9L128 Y249 V269L128-L267 HydrophobicContact CD1-CD2 3.22Å; Y249-L267 HydrophobicContact CE1-CD1 3.43Å; Y249-L267 VanDerWaalsContact CE1-CD1 3.43Å; Y249-L267 HydrophobicContact CE1-CD2 4.32Å; Y249-L267 WeakPolarHBondContact OH-CD1 3.41Å; Y249-L267 WeakPolarHBondContact OH-CD2 3.29Å; L267-V269 VanDerWaalsContact C-N 3.31Å; L267-V269 HydrophobicContact CB-CG2 4.21Å; L267-V269 HydrophobicContact CD2-CB 3.66Å; L267-V269 HydrophobicContact CD2-CG2 3.38Å; L267-V269 HydrophobicContact CG-CB 4.31Å; L267-V269 HydrophobicContact CG-CG2 3.58Å
268P50.7Low62.6Low58 Ų5865.5 Ų65.538%0.37735%0.346SS..  -105.855.5122.435.8-28.7000106.6M270 V449P268-M270 PolarHBondContact O-N 3.31Å; P268-V449 HydrophobicContact CB-CG2 4.4Å
269V66.8Low64.9Low29 Ų2956.6 Ų56.618%0.17631%0.307CS..  trans-68133.3169.7-1650000105.9R127 L128 L267 C271R127-V269 PolarHBondContact NH2-O 3.16Å; L128-V269 VanDerWaalsContact CD2-O 3.3Å; L128-V269 WeakPolarHBondContact CD2-O 3.23Å; L267-V269 VanDerWaalsContact C-N 3.31Å; L267-V269 HydrophobicContact CB-CG2 4.21Å; L267-V269 HydrophobicContact CD2-CB 3.66Å; L267-V269 HydrophobicContact CD2-CG2 3.38Å; L267-V269 HydrophobicContact CG-CB 4.31Å; L267-V269 HydrophobicContact CG-CG2 3.58Å; V269-C271 VanDerWaalsContact C-N 3.31Å; V269-C271 WeakPolarHBondContact CB-O 3.44Å; V269-C271 WeakPolarHBondContact CG1-O 3.38Å
270M79.9Confident67Low35 Ų3554.7 Ų54.717%0.17229%0.293CS..SBendtrans-73.8-29.9-176.9-70.7171.921.500111.7P268 Y362 V365 A366 L369P268-M270 PolarHBondContact O-N 3.31Å; M270-Y362 VanDerWaalsContact CE-O 3.32Å; M270-Y362 WeakPolarHBondContact CE-O 3.37Å; M270-V365 HydrophobicContact CE-CB 3.93Å; M270-V365 HydrophobicContact CE-CG1 3.82Å; M270-A366 VanDerWaalsContact CE-CA 3.41Å; M270-A366 HydrophobicContact CE-CB 3.5Å; M270-A366 VanDerWaalsContact CE-CB 3.5Å; M270-L369 HydrophobicContact CB-CD1 3.98Å; M270-L369 HydrophobicContact CE-CD1 4.21Å
271C91.3Very high69.4Low1 Ų148.4 Ų48.41%0.00727%0.268CS..SBendtrans-138.5-176.2179.662.50000110.7L128 V269 V365 L369 I376L128-C271 WeakPolarHBondContact CD2-O 3.29Å; V269-C271 VanDerWaalsContact C-N 3.31Å; V269-C271 WeakPolarHBondContact CB-O 3.44Å; V269-C271 WeakPolarHBondContact CG1-O 3.38Å; C271-V365 HydrophobicContact CB-CG1 4.37Å; C271-L369 HydrophobicContact CB-CD1 4.31Å; C271-L369 HydrophobicContact CB-CD2 4.38Å; C271-I376 HydrophobicContact CB-CG2 4.31Å; C271-I376 WeakPolarHBondContact CB-O 3.46Å
272L92Very high71.5Confident0 Ų043 Ų430%024%0.242CC..EExtended strand (participates in β ladder)trans-71.1145.1177.3-167.363000110.9Y132 T241 P242 F245 S377 T378Y132-L272 HydrophobicContact CD2-CB 3.94Å; Y132-L272 HydrophobicContact CD2-CD2 4.3Å; Y132-L272 HydrophobicContact CE2-CB 4.36Å; Y132-L272 HydrophobicContact CE2-CD2 4.38Å; Y132-L272 HydrophobicContact CG-CD2 4.43Å; T241-L272 HydrophobicContact CG2-CD2 4.29Å; P242-L272 HydrophobicContact CB-CD2 4.19Å; P242-L272 HydrophobicContact CG-CD2 3.84Å; F245-L272 HydrophobicContact CB-CD1 4.33Å; F245-L272 HydrophobicContact CB-CD2 4.38Å; F245-L272 HydrophobicContact CD2-CD1 3.77Å; L272-S377 WeakPolarHBondContact O-CA 3.36Å; L272-S377 WeakPolarHBondContact O-CB 3.42Å; L272-T378 PolarHBondContact O-N 3.35Å
273S91.1Very high73.7Confident20 Ų2036.8 Ų36.814%0.1421%0.21CC..EExtended strand (participates in β ladder)trans-105.6133.6173.2-168.20000109.9T378 S380S273-T378 CarbonylContact C-O 3.51Å; S273-T378 WeakPolarHBondContact CA-O 3.28Å; S273-T378 PolarHBondContact OG-O 3.27Å; S273-S380 VanDerWaalsContact OG-CB 3.29Å; S273-S380 WeakPolarHBondContact OG-CB 3.46Å
274V92.7Very high75.7Confident0 Ų035.3 Ų35.30%021%0.208CC..EExtended strand (participates in β ladder)trans-105.2129.4176.9-178.40000108.2P242 E278 L279 F293 S377 T378 A379 S380P242-V274 HydrophobicContact CB-CG2 3.87Å; P242-V274 HydrophobicContact CG-CG2 3.87Å; V274-E278 HydrophobicContact CG1-CB 4Å; V274-E278 HydrophobicContact CG1-CG 4.13Å; V274-L279 HydrophobicContact CG1-CD2 3.84Å; V274-L279 HydrophobicContact CG1-CG 3.94Å; V274-F293 HydrophobicContact CG1-CZ 4.11Å; V274-F293 HydrophobicContact CG2-CE1 3.95Å; V274-F293 HydrophobicContact CG2-CZ 4.14Å; V274-S377 WeakPolarHBondContact CG2-OG 3.14Å; V274-T378 PolarHBondContact N-O 3.01Å; V274-A379 CarbonylContact O-C 3.58Å; V274-A379 WeakPolarHBondContact O-CA 3.25Å; V274-S380 PolarHBondContact O-N 3.04Å
275S90.5Very high77.2Confident4 Ų436 Ų363%0.02822%0.222CC..  trans-68.3150.3177.867.30000112.4S244 R247 Q277 E278 L279S244-S275 WeakPolarHBondContact OG-CB 3.39Å; S244-S275 PolarHBondContact OG-N 3.13Å; S244-S275 PolarHBondContact OG-OG 3.42Å; R247-S275 PolarHBondContact NH1-OG 3.46Å; R247-S275 PolarHBondContact NH2-OG 3.42Å; S275-Q277 PolarHBondContact O-N 3.03Å; S275-E278 PolarHBondContact O-N 2.61Å; S275-E278 VanDerWaalsContact O-N 3.14Å; S275-E278 WeakPolarHBondContact OG-CB 3.48Å; S275-E278 PolarHBondContact OG-N 3.23Å; S275-L279 PolarHBondContact O-N 3Å
276P90.1Very high79Confident10 Ų1036 Ų367%0.06523%0.226CC..Hα-helixtrans-53.8-34.7167.6-28.436.6000113.6E278 L279 L280 S380 A385 I386 L389P276-E278 VanDerWaalsContact C-N 3.32Å; P276-E278 PolarHBondContact O-N 3.14Å; P276-L279 PolarHBondContact O-N 3.37Å; P276-L280 PolarHBondContact O-N 3.17Å; P276-S380 WeakPolarHBondContact CD-O 3.45Å; P276-S380 WeakPolarHBondContact CG-O 3.27Å; P276-A385 HydrophobicContact CG-CB 3.58Å; P276-I386 HydrophobicContact CB-CG1 3.97Å; P276-I386 HydrophobicContact CG-CG1 4.43Å; P276-L389 HydrophobicContact CB-CD2 3.86Å
277Q89.2Confident80.2Confident96 Ų9639.9 Ų39.945%0.44923%0.231SC..Hα-helixtrans-66.3-33.1-179.9-67.678.210.700113S275 L279 L389S275-Q277 PolarHBondContact O-N 3.03Å; Q277-L279 VanDerWaalsContact C-N 3.34Å; Q277-L389 HydrophobicContact CG-CD1 4.27Å; Q277-L389 HydrophobicContact CG-CD2 4.3Å
278E90.1Very high81.1Confident18 Ų1840 Ų408%0.08423%0.232CC..Hα-helixtrans-75.6-25.6176.7-177.7170.7-173.700112.3P242 Q243 S244 V274 S275 P276 P281 F293P242-E278 WeakPolarHBondContact CA-OE1 3.32Å; P242-E278 WeakPolarHBondContact CB-OE1 3.41Å; Q243-E278 VanDerWaalsContact N-CD 3.28Å; Q243-E278 PolarHBondContact N-OE1 3.43Å; Q243-E278 PolarHBondContact N-OE2 3.33Å; S244-E278 VanDerWaalsContact CB-OE2 3.25Å; S244-E278 WeakPolarHBondContact CB-OE2 3.44Å; S244-E278 PolarHBondContact N-OE2 3.37Å; S244-E278 PolarHBondContact OG-OE2 2.95Å; V274-E278 HydrophobicContact CG1-CB 4Å; V274-E278 HydrophobicContact CG1-CG 4.13Å; S275-E278 PolarHBondContact O-N 2.61Å; S275-E278 VanDerWaalsContact O-N 3.14Å; S275-E278 WeakPolarHBondContact OG-CB 3.48Å; S275-E278 PolarHBondContact OG-N 3.23Å; P276-E278 VanDerWaalsContact C-N 3.32Å; P276-E278 PolarHBondContact O-N 3.14Å; E278-P281 WeakPolarHBondContact O-CD 3.05Å; E278-F293 HydrophobicContact CG-CE2 4.47Å
279L90.4Very high81.6Confident1 Ų145.3 Ų45.31%0.00525%0.252CS..Hα-helixtrans-81.2-17.7175.6-61.1177000112.9V274 S275 P276 Q277 L282 I283 F293 A379 I386V274-L279 HydrophobicContact CG1-CD2 3.84Å; V274-L279 HydrophobicContact CG1-CG 3.94Å; S275-L279 PolarHBondContact O-N 3Å; P276-L279 PolarHBondContact O-N 3.37Å; Q277-L279 VanDerWaalsContact C-N 3.34Å; L279-L282 WeakPolarHBondContact O-CB 3.28Å; L279-L282 PolarHBondContact O-N 3.5Å; L279-L282 VanDerWaalsContact O-N 3.14Å; L279-I283 HydrophobicContact CB-CD1 4.22Å; L279-I283 WeakPolarHBondContact O-CG1 3.22Å; L279-I283 PolarHBondContact O-N 2.73Å; L279-I283 VanDerWaalsContact O-N 3.09Å; L279-F293 HydrophobicContact CD2-CD2 3.94Å; L279-F293 HydrophobicContact CD2-CE2 4.28Å; L279-F293 HydrophobicContact CD2-CG 4.15Å; L279-A379 HydrophobicContact CD1-CB 3.82Å; L279-I386 HydrophobicContact CD1-CD1 4.06Å
280L86.7Confident82Confident48 Ų4848.8 Ų48.825%0.25127%0.266SS..Hα-helixtrans-52.8-49.6-178.3-83.9179.8000114.3P276 L282 I283 V284 L389 L390P276-L280 PolarHBondContact O-N 3.17Å; L280-L282 PolarHBondContact O-N 2.67Å; L280-I283 PolarHBondContact O-N 2.93Å; L280-V284 WeakPolarHBondContact O-CG2 3.48Å; L280-V284 PolarHBondContact O-N 3.44Å; L280-L389 HydrophobicContact CD1-CD1 4.46Å; L280-L389 HydrophobicContact CD1-CD2 3.4Å; L280-L389 HydrophobicContact CD1-CG 3.86Å; L280-L389 HydrophobicContact CD2-CD2 3.57Å; L280-L389 HydrophobicContact CD2-CG 4.06Å; L280-L389 HydrophobicContact CG-CD2 3.33Å; L280-L389 HydrophobicContact CG-CG 4.15Å; L280-L390 HydrophobicContact CD2-CD2 3.91Å
281P83.3Confident82.3Confident40 Ų4047.6 Ų47.626%0.2626%0.26SS..Hα-helixtrans-53.6-42.9179.4-26.536000112E278 V284 G285 V286E278-P281 WeakPolarHBondContact O-CD 3.05Å; P281-V284 WeakPolarHBondContact O-CG2 3.21Å; P281-V284 PolarHBondContact O-N 3.06Å; P281-G285 PolarHBondContact O-N 3.44Å; P281-V286 CarbonylContact C-O 3.56Å; P281-V286 VanDerWaalsContact C-O 3.23Å; P281-V286 HydrophobicContact CB-CB 4.14Å; P281-V286 HydrophobicContact CB-CG1 4.39Å; P281-V286 CarbonylContact O-C 3.53Å; P281-V286 WeakPolarHBondContact O-CA 3.4Å; P281-V286 WeakPolarHBondContact O-CB 2.92Å; P281-V286 PolarHBondContact O-N 3.08Å
282L82.2Confident82.1Confident50 Ų5050.3 Ų50.326%0.26228%0.275SS..Hα-helixtrans-63.9-43.2177.8-178.663000111.9L279 L280 V284 G285 F293 I295L279-L282 WeakPolarHBondContact O-CB 3.28Å; L279-L282 PolarHBondContact O-N 3.5Å; L279-L282 VanDerWaalsContact O-N 3.14Å; L280-L282 PolarHBondContact O-N 2.67Å; L282-V284 VanDerWaalsContact C-N 3.35Å; L282-V284 PolarHBondContact O-N 3.41Å; L282-G285 PolarHBondContact O-N 2.85Å; L282-F293 HydrophobicContact CD2-CB 3.86Å; L282-I295 HydrophobicContact CD2-CD1 3.7Å; L282-I295 HydrophobicContact CD2-CG1 3.98Å; L282-I295 HydrophobicContact CG-CD1 4.45Å
283I83.7Confident82.1Confident7 Ų750.7 Ų50.74%0.03628%0.276CS..Hα-helixtrans-62.4-43.5179.6-63.7162.7000110.7L279 L280 G285 I309 I386 L390 E397L279-I283 HydrophobicContact CB-CD1 4.22Å; L279-I283 WeakPolarHBondContact O-CG1 3.22Å; L279-I283 PolarHBondContact O-N 2.73Å; L279-I283 VanDerWaalsContact O-N 3.09Å; L280-I283 PolarHBondContact O-N 2.93Å; I283-G285 PolarHBondContact O-N 3.28Å; I283-I309 HydrophobicContact CD1-CD1 4.12Å; I283-I309 HydrophobicContact CG1-CD1 4.18Å; I283-I309 HydrophobicContact CG1-CG1 4.4Å; I283-I309 HydrophobicContact CG1-CG2 3.83Å; I283-I386 HydrophobicContact CD1-CD1 4.29Å; I283-I386 HydrophobicContact CD1-CG1 4.5Å; I283-I386 HydrophobicContact CD1-CG2 3.55Å; I283-L390 HydrophobicContact CG2-CD1 4.36Å; I283-L390 HydrophobicContact CG2-CD2 4.23Å; I283-E397 HydrophobicContact CG2-CB 4.2Å
284V80.6Confident82.3Confident69 Ų6950.3 Ų50.342%0.41827%0.274SS..THydrogen-bonded Turntrans-838.9-179.5-53.20000113.8L280 P281 L282 V286 E397L280-V284 WeakPolarHBondContact O-CG2 3.48Å; L280-V284 PolarHBondContact O-N 3.44Å; P281-V284 WeakPolarHBondContact O-CG2 3.21Å; P281-V284 PolarHBondContact O-N 3.06Å; L282-V284 VanDerWaalsContact C-N 3.35Å; L282-V284 PolarHBondContact O-N 3.41Å; V284-V286 HydrophobicContact CG2-CB 4.42Å; V284-V286 HydrophobicContact CG2-CG2 3.95Å; V284-V286 PolarHBondContact O-N 2.88Å; V284-E397 WeakPolarHBondContact CA-OE2 3.44Å
285G73.2Confident82.3Confident67 Ų6750.7 Ų50.769%0.69128%0.276SS*.THydrogen-bonded Turntrans76.917176.500000115.5P281 L282 I283P281-G285 PolarHBondContact O-N 3.44Å; L282-G285 PolarHBondContact O-N 2.85Å; I283-G285 PolarHBondContact O-N 3.28Å
286V71.7Confident82.6Confident85 Ų8550.5 Ų50.552%0.51528%0.275SS..PPolyproline II helixtrans-89.8118.1171.3178.20000109.1P281 V284 N288P281-V286 CarbonylContact C-O 3.56Å; P281-V286 VanDerWaalsContact C-O 3.23Å; P281-V286 HydrophobicContact CB-CB 4.14Å; P281-V286 HydrophobicContact CB-CG1 4.39Å; P281-V286 CarbonylContact O-C 3.53Å; P281-V286 WeakPolarHBondContact O-CA 3.4Å; P281-V286 WeakPolarHBondContact O-CB 2.92Å; P281-V286 PolarHBondContact O-N 3.08Å; V284-V286 HydrophobicContact CG2-CB 4.42Å; V284-V286 HydrophobicContact CG2-CG2 3.95Å; V284-V286 PolarHBondContact O-N 2.88Å; V286-N288 PolarHBondContact O-N 3.2Å
287K63.3Low82.8Confident143 Ų14350 Ų5062%0.62227%0.272SS*.PPolyproline II helixtrans-57.6124.9175.6-75.3-165.8174.8-1660110.2D557K287-D557 IonicContact NZ-OD1 2.88Å; K287-D557 IonicContact NZ-OD2 3.59Å; K287-D557 PolarHBondContact NZ-OD2 3.24Å
288N64.3Low83.1Confident59 Ų5946.1 Ų46.132%0.31625%0.254SS..PPolyproline II helixtrans-72.3129.9171.4-132.7-12000108.3V286 H290 I291V286-N288 PolarHBondContact O-N 3.2Å; N288-H290 VanDerWaalsContact C-N 3.26Å; N288-H290 PolarHBondContact O-N 3.12Å; N288-I291 WeakPolarHBondContact CB-O 3.32Å
289Q61.3Low83.2Confident170 Ų17045.9 Ų45.979%0.79425%0.253SS*.SBendtrans-73.1-14.4-167.5-69.7-174.7-4.500114.8
290H73.8Confident83.2Confident102 Ų10248.2 Ų48.247%0.47227%0.269SS..SBendtrans-132.6-29-169.1-58.1-46.2000115N239 N288N239-H290 WeakPolarHBondContact O-CB 3.35Å; N288-H290 VanDerWaalsContact C-N 3.26Å; N288-H290 PolarHBondContact O-N 3.12Å
291I87.5Confident83.4Confident9 Ų952.8 Ų52.85%0.04629%0.289CS..  trans-135.1123.1-175.8-62.4175.4000109.3T241 P242 N288 F293 H346T241-I291 WeakPolarHBondContact O-CD1 3.49Å; P242-I291 HydrophobicContact CG-CD1 4.32Å; P242-I291 VanDerWaalsContact N-CD1 3.35Å; N288-I291 WeakPolarHBondContact CB-O 3.32Å; I291-F293 HydrophobicContact CB-CE2 4.33Å; I291-F293 HydrophobicContact CB-CZ 4.42Å; I291-F293 HydrophobicContact CG2-CD1 4.12Å; I291-F293 HydrophobicContact CG2-CD2 4.14Å; I291-F293 HydrophobicContact CG2-CE1 3.79Å; I291-F293 HydrophobicContact CG2-CE2 3.8Å; I291-F293 HydrophobicContact CG2-CG 4.3Å; I291-F293 HydrophobicContact CG2-CZ 3.63Å; I291-H346 HydrophobicContact CG2-CB 3.75Å; I291-H346 VanDerWaalsContact CG2-CG 3.48Å
292N87.2Confident83.9Confident59 Ų5958.5 Ų58.532%0.31631%0.312SS..  trans-96.8113.6174.2-1674.3000110.1D342 H346N292-D342 HydrophobicContact CB-CB 4.48Å; N292-D342 WeakPolarHBondContact CB-OD2 3.3Å; N292-D342 VanDerWaalsContact ND2-CB 3.26Å; N292-D342 WeakPolarHBondContact ND2-CB 3.45Å; N292-D342 PolarHBondContact ND2-OD2 3.01Å; N292-D342 VanDerWaalsContact ND2-OD2 3.14Å; N292-H346 PolarHBondContact O-N 3.4Å
293F92.1Very high84.4Confident8 Ų857.8 Ų57.84%0.03531%0.308CS..EExtended strand (participates in β ladder)trans-91.9125.1-179.5-66.9-76.6000111.4P242 V274 E278 L279 L282 I291 I295 H346 C348P242-F293 HydrophobicContact CB-CZ 4.1Å; P242-F293 HydrophobicContact CG-CE1 3.97Å; P242-F293 HydrophobicContact CG-CZ 3.84Å; V274-F293 HydrophobicContact CG1-CZ 4.11Å; V274-F293 HydrophobicContact CG2-CE1 3.95Å; V274-F293 HydrophobicContact CG2-CZ 4.14Å; E278-F293 HydrophobicContact CG-CE2 4.47Å; L279-F293 HydrophobicContact CD2-CD2 3.94Å; L279-F293 HydrophobicContact CD2-CE2 4.28Å; L279-F293 HydrophobicContact CD2-CG 4.15Å; L282-F293 HydrophobicContact CD2-CB 3.86Å; I291-F293 HydrophobicContact CB-CE2 4.33Å; I291-F293 HydrophobicContact CB-CZ 4.42Å; I291-F293 HydrophobicContact CG2-CD1 4.12Å; I291-F293 HydrophobicContact CG2-CD2 4.14Å; I291-F293 HydrophobicContact CG2-CE1 3.79Å; I291-F293 HydrophobicContact CG2-CE2 3.8Å; I291-F293 HydrophobicContact CG2-CG 4.3Å; I291-F293 HydrophobicContact CG2-CZ 3.63Å; F293-I295 PolarHBondContact O-N 2.78Å; F293-H346 CarbonylContact C-O 3.5Å; F293-H346 VanDerWaalsContact CA-O 3.29Å; F293-H346 WeakPolarHBondContact CA-O 3.49Å; F293-H346 HydrophobicContact CD1-CB 3.9Å; F293-H346 HydrophobicContact CE1-CB 4.15Å; F293-C348 HydrophobicContact CB-CB 4.27Å; F293-C348 HydrophobicContact CD1-CB 3.96Å; F293-C348 HydrophobicContact CG-CB 4.42Å
294A93.8Very high84.9Confident11 Ų1159 Ų599%0.09131%0.313CS..EExtended strand (participates in β ladder)trans-83.7106.3160.800000108.9I296 C338 F345 H346 C348A294-I296 HydrophobicContact CB-CD1 4.34Å; A294-I296 PolarHBondContact O-N 3.35Å; A294-C338 HydrophobicContact CB-CB 4.43Å; A294-F345 HydrophobicContact CB-CD2 3.51Å; A294-F345 HydrophobicContact CB-CE2 3.93Å; A294-F345 HydrophobicContact CB-CG 4.46Å; A294-H346 PolarHBondContact N-O 2.92Å; A294-C348 PolarHBondContact O-N 3.35Å
295I94.5Very high85.6Confident8 Ų858.8 Ų58.84%0.04132%0.318CS..EExtended strand (participates in β ladder)trans-80.4118.4178.2-61.2177.9000109.1L282 F293 I309 S312 Y313 C348 L350L282-I295 HydrophobicContact CD2-CD1 3.7Å; L282-I295 HydrophobicContact CD2-CG1 3.98Å; L282-I295 HydrophobicContact CG-CD1 4.45Å; F293-I295 PolarHBondContact O-N 2.78Å; I295-I309 HydrophobicContact CD1-CD1 4.05Å; I295-I309 HydrophobicContact CD1-CG2 3.88Å; I295-I309 HydrophobicContact CG2-CD1 4.32Å; I295-S312 WeakPolarHBondContact O-CA 3.19Å; I295-S312 WeakPolarHBondContact O-CB 3.27Å; I295-Y313 PolarHBondContact O-N 3.4Å; I295-C348 WeakPolarHBondContact CA-O 3.47Å; I295-L350 HydrophobicContact CG2-CB 4.24Å; I295-L350 HydrophobicContact CG2-CD2 4.24Å
296I95.6Very high86.6Confident0 Ų056.5 Ų56.50%029%0.292CS..EExtended strand (participates in β ladder)trans-107.3105.2176.7-46.4-48000108.5A294 T298 Y313 L315 L334 W347 C348 F349 L350A294-I296 HydrophobicContact CB-CD1 4.34Å; A294-I296 PolarHBondContact O-N 3.35Å; I296-T298 HydrophobicContact CG2-CG2 4.37Å; I296-T298 PolarHBondContact O-N 3.38Å; I296-Y313 CarbonylContact C-O 3.42Å; I296-Y313 WeakPolarHBondContact CA-O 3.32Å; I296-Y313 HydrophobicContact CD1-CD2 3.93Å; I296-Y313 HydrophobicContact CD1-CG 4.4Å; I296-L315 HydrophobicContact CG2-CB 3.64Å; I296-L315 HydrophobicContact CG2-CD2 3.9Å; I296-L315 HydrophobicContact CG2-CG 4.45Å; I296-L334 HydrophobicContact CD1-CD2 3.86Å; I296-L334 HydrophobicContact CD1-CG 4.4Å; I296-L334 HydrophobicContact CG1-CD2 4.43Å; I296-L334 HydrophobicContact CG2-CD2 4.26Å; I296-W347 HydrophobicContact CD1-CE3 3.99Å; I296-W347 HydrophobicContact CD1-CZ3 3.86Å; I296-W347 HydrophobicContact CG1-CE3 3.62Å; I296-W347 HydrophobicContact CG1-CZ3 3.83Å; I296-C348 PolarHBondContact N-O 2.98Å; I296-F349 HydrophobicContact CB-CD1 3.87Å; I296-F349 HydrophobicContact CB-CE1 3.86Å; I296-F349 HydrophobicContact CB-CG 4.47Å; I296-F349 HydrophobicContact CB-CZ 4.44Å; I296-F349 HydrophobicContact CG1-CD1 4.43Å; I296-F349 HydrophobicContact CG1-CE1 4.07Å; I296-F349 HydrophobicContact CG1-CZ 4.15Å; I296-F349 HydrophobicContact CG2-CD1 4.05Å; I296-F349 HydrophobicContact CG2-CE1 3.8Å; I296-L350 PolarHBondContact O-N 3.38Å
297D95.2Very high87.7Confident0 Ų052.5 Ų52.50%027%0.267CS..EExtended strand (participates in β ladder)trans-81112.4176.9-165.2-31.6000109.7R299 F304 Y313 S314 L315 L350D297-R299 VanDerWaalsContact OD1-CB 3.24Å; D297-R299 WeakPolarHBondContact OD1-CB 3.43Å; D297-R299 WeakPolarHBondContact OD1-CG 3.25Å; D297-R299 IonicContact OD1-CZ 2.74Å; D297-R299 PolarHBondContact OD1-N 3.46Å; D297-R299 IonicContact OD1-NE 3.9Å; D297-R299 PolarHBondContact OD1-NE 2.9Å; D297-R299 IonicContact OD1-NH2 3.36Å; D297-R299 IonicContact OD2-CZ 2.87Å; D297-R299 IonicContact OD2-NE 2.72Å; D297-R299 PolarHBondContact OD2-NE 3.41Å; D297-R299 VanDerWaalsContact OD2-NE 3.13Å; D297-R299 IonicContact OD2-NH2 2.77Å; D297-R299 PolarHBondContact OD2-NH2 3.36Å; D297-F304 HydrophobicContact CB-CD2 3.68Å; D297-F304 HydrophobicContact CB-CE2 3.8Å; D297-Y313 PolarHBondContact N-O 3.37Å; D297-S314 WeakPolarHBondContact O-CA 3.48Å; D297-L315 PolarHBondContact O-N 3.06Å; D297-L350 HydrophobicContact CB-CD2 4.46Å
298T94.2Very high89.2Confident14 Ų1446.7 Ų46.79%0.08624%0.243CC..  trans-100.712.5-175.370.50000112.9I296 L315 L317 F349 L350 F361I296-T298 HydrophobicContact CG2-CG2 4.37Å; I296-T298 PolarHBondContact O-N 3.38Å; T298-L315 HydrophobicContact CG2-CD2 4.48Å; T298-L317 HydrophobicContact CG2-CD1 4.45Å; T298-L317 HydrophobicContact CG2-CD2 4.06Å; T298-L317 HydrophobicContact CG2-CG 4.41Å; T298-F349 HydrophobicContact CG2-CD1 3.8Å; T298-L350 PolarHBondContact N-O 3.14Å; T298-L350 PolarHBondContact OG1-O 3.35Å; T298-L350 VanDerWaalsContact OG1-O 3.09Å; T298-F361 HydrophobicContact CG2-CD2 4.26Å; T298-F361 HydrophobicContact CG2-CE2 4.24Å; T298-F361 VanDerWaalsContact OG1-CD2 3.25Å; T298-F361 WeakPolarHBondContact OG1-CD2 3.44Å
299R92.7Very high90.6Very high13 Ų1344 Ų445%0.04923%0.228CC..SBendtrans-71.5165.3173.6-61.7179.5-62147.91.4110D297 Q303 G307 Y383D297-R299 VanDerWaalsContact OD1-CB 3.24Å; D297-R299 WeakPolarHBondContact OD1-CB 3.43Å; D297-R299 WeakPolarHBondContact OD1-CG 3.25Å; D297-R299 IonicContact OD1-CZ 2.74Å; D297-R299 PolarHBondContact OD1-N 3.46Å; D297-R299 IonicContact OD1-NE 3.9Å; D297-R299 PolarHBondContact OD1-NE 2.9Å; D297-R299 IonicContact OD1-NH2 3.36Å; D297-R299 IonicContact OD2-CZ 2.87Å; D297-R299 IonicContact OD2-NE 2.72Å; D297-R299 PolarHBondContact OD2-NE 3.41Å; D297-R299 VanDerWaalsContact OD2-NE 3.13Å; D297-R299 IonicContact OD2-NH2 2.77Å; D297-R299 PolarHBondContact OD2-NH2 3.36Å; R299-Q303 HydrophobicContact CB-CB 3.85Å; R299-Q303 PolarHBondContact NH1-O 2.8Å; R299-G307 PolarHBondContact NH1-O 3.21Å; R299-G307 PolarHBondContact NH2-O 2.93Å; R299-Y383 VanDerWaalsContact CZ-CD2 3.41Å
300S90.6Very high91.9Very high51 Ų5144.4 Ų44.436%0.35722%0.222SC..  trans-60154.6175.666.30000111.7E302 Q303 F304S300-E302 PolarHBondContact O-N 3.38Å; S300-Q303 WeakPolarHBondContact O-CB 3.42Å; S300-Q303 PolarHBondContact O-N 2.66Å; S300-Q303 WeakPolarHBondContact OG-CG 3.41Å; S300-Q303 PolarHBondContact OG-N 3.13Å; S300-F304 PolarHBondContact O-N 3.33Å
301E91.3Very high92.6Very high143 Ų14342.3 Ų42.367%0.66823%0.228SC*.Hα-helixtrans-53.9-38.9178.6-68-171.3164.600112.3Q303 F304 A305E301-Q303 PolarHBondContact O-N 2.91Å; E301-F304 PolarHBondContact O-N 2.82Å; E301-A305 VanDerWaalsContact O-CB 3.25Å; E301-A305 WeakPolarHBondContact O-CB 3.17Å; E301-A305 PolarHBondContact O-N 3.3Å
302E92.5Very high92.9Very high160 Ų16042.5 Ų42.575%0.74823%0.23SC*.Hα-helixtrans-62.6-42176.1-64.1-179.3173.700112.5S300 S306S300-E302 PolarHBondContact O-N 3.38Å; E302-S306 WeakPolarHBondContact O-CB 3.34Å; E302-S306 PolarHBondContact O-N 3.19Å; E302-S306 VanDerWaalsContact O-N 3.12Å; E302-S306 PolarHBondContact O-OG 2.91Å
303Q93Very high93.3Very high35 Ų3542.9 Ų42.916%0.16423%0.228CC..Hα-helixtrans-69.9-38.8178.1-72.5-178.430.700111.6R299 S300 E301 S306 L407R299-Q303 HydrophobicContact CB-CB 3.85Å; R299-Q303 PolarHBondContact NH1-O 2.8Å; S300-Q303 WeakPolarHBondContact O-CB 3.42Å; S300-Q303 PolarHBondContact O-N 2.66Å; S300-Q303 WeakPolarHBondContact OG-CG 3.41Å; S300-Q303 PolarHBondContact OG-N 3.13Å; E301-Q303 PolarHBondContact O-N 2.91Å; Q303-S306 PolarHBondContact O-N 3.21Å; Q303-L407 VanDerWaalsContact CD-CD1 3.47Å; Q303-L407 HydrophobicContact CG-CD1 3.74Å; Q303-L407 HydrophobicContact CG-CG 4.32Å; Q303-L407 VanDerWaalsContact NE2-CD1 3.26Å
304F95.1Very high93.4Very high34 Ų3445 Ų4515%0.14924%0.244CC..Hα-helixtrans-62.9-46.7174.7-175.6-90.8000111.2D297 S300 E301 S306 G307 H308 S312D297-F304 HydrophobicContact CB-CD2 3.68Å; D297-F304 HydrophobicContact CB-CE2 3.8Å; S300-F304 PolarHBondContact O-N 3.33Å; E301-F304 PolarHBondContact O-N 2.82Å; F304-S306 PolarHBondContact O-N 3.34Å; F304-G307 CarbonylContact O-C 3.44Å; F304-G307 PolarHBondContact O-N 3.07Å; F304-H308 AromaticContact CD1-ND1 3.83Å; F304-H308 HydrophobicContact CD2-CB 3.64Å; F304-H308 AromaticContact CD2-CG 3.97Å; F304-H308 HydrophobicContact CE1-CB 4.44Å; F304-H308 AromaticContact CE1-CD2 3.73Å; F304-H308 AromaticContact CE1-CE1 3.61Å; F304-H308 AromaticContact CE1-CG 3.71Å; F304-H308 AromaticContact CE1-ND1 3.62Å; F304-H308 AromaticContact CE1-NE2 3.67Å; F304-H308 HydrophobicContact CE2-CB 3.57Å; F304-H308 AromaticContact CE2-CD2 3.72Å; F304-H308 AromaticContact CE2-CG 3.61Å; F304-H308 HydrophobicContact CG-CB 4.14Å; F304-H308 HydrophobicContact CZ-CB 3.99Å; F304-H308 AromaticContact CZ-CD2 3.25Å; F304-H308 WeakPolarHBondContact CZ-CD2 3.36Å; F304-H308 AromaticContact CZ-CE1 3.97Å; F304-H308 AromaticContact CZ-CG 3.46Å; F304-H308 VanDerWaalsContact CZ-CG 3.46Å; F304-H308 AromaticContact CZ-ND1 3.89Å; F304-H308 AromaticContact CZ-NE2 3.6Å; F304-H308 PolarHBondContact O-ND1 3.24Å; F304-S312 WeakPolarHBondContact CE2-OG 3.4Å
305A94.9Very high93.4Very high64 Ų6444.8 Ų44.853%0.52924%0.241SC..Hα-helixtrans-65.1-2217800000113.5E301 G307E301-A305 VanDerWaalsContact O-CB 3.25Å; E301-A305 WeakPolarHBondContact O-CB 3.17Å; E301-A305 PolarHBondContact O-N 3.3Å; A305-G307 VanDerWaalsContact C-N 3.31Å
306S94.3Very high93.1Very high19 Ų1947.8 Ų47.813%0.13326%0.257CS..THydrogen-bonded Turntrans-86.53.1178.3-57.90000114.1E302 Q303 F304 A400 H401 D402 H405E302-S306 WeakPolarHBondContact O-CB 3.34Å; E302-S306 PolarHBondContact O-N 3.19Å; E302-S306 VanDerWaalsContact O-N 3.12Å; E302-S306 PolarHBondContact O-OG 2.91Å; Q303-S306 PolarHBondContact O-N 3.21Å; F304-S306 PolarHBondContact O-N 3.34Å; S306-A400 CarbonylContact C-O 3.23Å; S306-H401 WeakPolarHBondContact O-CA 3.44Å; S306-D402 PolarHBondContact O-N 3.31Å; S306-H405 WeakPolarHBondContact OG-CB 3.49Å
307G94.5Very high92.8Very high0 Ų048.5 Ų48.50%026%0.261CS..  trans141.1121.1179.900000111.6R299 F304 A305 Y383 E399R299-G307 PolarHBondContact NH1-O 3.21Å; R299-G307 PolarHBondContact NH2-O 2.93Å; F304-G307 CarbonylContact O-C 3.44Å; F304-G307 PolarHBondContact O-N 3.07Å; A305-G307 VanDerWaalsContact C-N 3.31Å; G307-Y383 WeakPolarHBondContact O-CE2 3.31Å; G307-Y383 PolarHBondContact O-OH 3.04Å; G307-E399 VanDerWaalsContact CA-O 3.31Å; G307-E399 WeakPolarHBondContact CA-O 3.34Å
308H94.9Very high92.4Very high22 Ų2251.9 Ų51.910%0.10229%0.285CS..EExtended strand (participates in β ladder)trans-143.5167178.358.9-83000111.9F304 L398 E399F304-H308 AromaticContact CD1-ND1 3.83Å; F304-H308 HydrophobicContact CD2-CB 3.64Å; F304-H308 AromaticContact CD2-CG 3.97Å; F304-H308 HydrophobicContact CE1-CB 4.44Å; F304-H308 AromaticContact CE1-CD2 3.73Å; F304-H308 AromaticContact CE1-CE1 3.61Å; F304-H308 AromaticContact CE1-CG 3.71Å; F304-H308 AromaticContact CE1-ND1 3.62Å; F304-H308 AromaticContact CE1-NE2 3.67Å; F304-H308 HydrophobicContact CE2-CB 3.57Å; F304-H308 AromaticContact CE2-CD2 3.72Å; F304-H308 AromaticContact CE2-CG 3.61Å; F304-H308 HydrophobicContact CG-CB 4.14Å; F304-H308 HydrophobicContact CZ-CB 3.99Å; F304-H308 AromaticContact CZ-CD2 3.25Å; F304-H308 WeakPolarHBondContact CZ-CD2 3.36Å; F304-H308 AromaticContact CZ-CE1 3.97Å; F304-H308 AromaticContact CZ-CG 3.46Å; F304-H308 VanDerWaalsContact CZ-CG 3.46Å; F304-H308 AromaticContact CZ-ND1 3.89Å; F304-H308 AromaticContact CZ-NE2 3.6Å; F304-H308 PolarHBondContact O-ND1 3.24Å; H308-L398 CarbonylContact O-C 3.2Å; H308-L398 WeakPolarHBondContact O-CA 3.41Å; H308-E399 PolarHBondContact N-O 2.96Å; H308-E399 IonicContact NE2-OE2 2.97Å; H308-E399 PolarHBondContact O-N 2.69Å
309I93.2Very high92.1Very high1 Ų153.8 Ų53.81%0.00529%0.292CS..EExtended strand (participates in β ladder)trans-72.8132.6177.5-62.7171.4000108.8I283 I295 G311 S312 L350 I386 L398I283-I309 HydrophobicContact CD1-CD1 4.12Å; I283-I309 HydrophobicContact CG1-CD1 4.18Å; I283-I309 HydrophobicContact CG1-CG1 4.4Å; I283-I309 HydrophobicContact CG1-CG2 3.83Å; I295-I309 HydrophobicContact CD1-CD1 4.05Å; I295-I309 HydrophobicContact CD1-CG2 3.88Å; I295-I309 HydrophobicContact CG2-CD1 4.32Å; I309-G311 PolarHBondContact O-N 3.04Å; I309-S312 WeakPolarHBondContact O-CB 3.16Å; I309-S312 PolarHBondContact O-N 2.77Å; I309-S312 PolarHBondContact O-OG 3.45Å; I309-L350 HydrophobicContact CD1-CD2 3.8Å; I309-I386 HydrophobicContact CD1-CD1 3.56Å; I309-I386 HydrophobicContact CD1-CG2 4.25Å; I309-L398 HydrophobicContact CG1-CD2 4.11Å
310R89.5Confident91.9Very high179 Ų17953.7 Ų53.768%0.67529%0.293SS*.THydrogen-bonded Turntrans-52.5128.7176.2175.5165.4-119.3177.3-7.3111.6S312 E399R310-S312 VanDerWaalsContact C-N 3.26Å; R310-S312 PolarHBondContact O-N 3.09Å; R310-E399 HydrophobicContact CB-CG 3.95Å; R310-E399 HydrophobicContact CG-CG 4.32Å; R310-E399 WeakPolarHBondContact CG-OE1 3.14Å; R310-E399 IonicContact CZ-OE1 3.82Å; R310-E399 IonicContact NE-OE1 3.36Å; R310-E399 PolarHBondContact NE-OE1 3Å; R310-E399 IonicContact NH2-OE1 3.01Å
311G88.3Confident91.7Very high58 Ų5856.8 Ų56.860%0.59831%0.305SS*.THydrogen-bonded Turntrans75.56.2178.800000115.2I309I309-G311 PolarHBondContact O-N 3.04Å
312S93.8Very high91.7Very high13 Ų1354.1 Ų54.19%0.09131%0.307CS..PPolyproline II helixtrans-74.5151.7170.872.10000111.7I295 F304 I309 R310I295-S312 WeakPolarHBondContact O-CA 3.19Å; I295-S312 WeakPolarHBondContact O-CB 3.27Å; F304-S312 WeakPolarHBondContact CE2-OG 3.4Å; I309-S312 WeakPolarHBondContact O-CB 3.16Å; I309-S312 PolarHBondContact O-N 2.77Å; I309-S312 PolarHBondContact O-OG 3.45Å; R310-S312 VanDerWaalsContact C-N 3.26Å; R310-S312 PolarHBondContact O-N 3.09Å
313Y94.6Very high91.7Very high68 Ų6849.7 Ų49.727%0.26729%0.289SS..EExtended strand (participates in β ladder)trans-98.1130.5175.5-60.6-86.2000110I295 I296 D297 L334I295-Y313 PolarHBondContact O-N 3.4Å; I296-Y313 CarbonylContact C-O 3.42Å; I296-Y313 WeakPolarHBondContact CA-O 3.32Å; I296-Y313 HydrophobicContact CD1-CD2 3.93Å; I296-Y313 HydrophobicContact CD1-CG 4.4Å; D297-Y313 PolarHBondContact N-O 3.37Å; Y313-L334 HydrophobicContact CD1-CD1 3.51Å; Y313-L334 HydrophobicContact CD2-CD1 3.97Å; Y313-L334 HydrophobicContact CE1-CD1 4.1Å; Y313-L334 HydrophobicContact CG-CD1 3.43Å; Y313-L334 VanDerWaalsContact CG-CD1 3.43Å
314S94.8Very high91.5Very high53 Ų5351.2 Ų51.237%0.37130%0.302SS..EExtended strand (participates in β ladder)trans-77.7136.3171.8-175.20000110.6D297D297-S314 WeakPolarHBondContact O-CA 3.48Å
315L93.7Very high91.4Very high6 Ų652.5 Ų52.53%0.03132%0.319CS..  trans-133115175177.360.3000111.6I296 D297 T298 L317 F327 T330 M331 F349I296-L315 HydrophobicContact CG2-CB 3.64Å; I296-L315 HydrophobicContact CG2-CD2 3.9Å; I296-L315 HydrophobicContact CG2-CG 4.45Å; D297-L315 PolarHBondContact O-N 3.06Å; T298-L315 HydrophobicContact CG2-CD2 4.48Å; L315-L317 HydrophobicContact CD2-CD2 4.04Å; L315-L317 HydrophobicContact CG-CD2 4.23Å; L315-L317 PolarHBondContact O-N 2.9Å; L315-F327 HydrophobicContact CD1-CD2 4.48Å; L315-F327 HydrophobicContact CD1-CE2 3.8Å; L315-F327 HydrophobicContact CD1-CZ 4.44Å; L315-F327 HydrophobicContact CD2-CE2 3.96Å; L315-F327 HydrophobicContact CD2-CZ 3.88Å; L315-F327 HydrophobicContact CG-CE2 4.04Å; L315-F327 HydrophobicContact CG-CZ 4.47Å; L315-T330 HydrophobicContact CD1-CG2 4.17Å; L315-M331 HydrophobicContact CD1-CE 3.19Å; L315-M331 HydrophobicContact CD2-CE 3.26Å; L315-M331 HydrophobicContact CD2-SD 3.97Å; L315-M331 HydrophobicContact CG-CE 3.78Å; L315-F349 HydrophobicContact CD2-CE1 4.18Å
316D88.7Confident91.3Very high71 Ų7149.6 Ų49.638%0.3830%0.295SS..  trans-76.1108.1173.3-179.117.4000111.9S318D316-S318 VanDerWaalsContact CG-OG 3.24Å; D316-S318 PolarHBondContact O-N 3.34Å; D316-S318 WeakPolarHBondContact OD1-CB 3.5Å; D316-S318 PolarHBondContact OD1-N 2.98Å; D316-S318 PolarHBondContact OD1-OG 3.06Å; D316-S318 VanDerWaalsContact OD1-OG 3.13Å; D316-S318 PolarHBondContact OD2-OG 2.97Å
317L89.8Confident91.2Very high15 Ų1548.7 Ų48.78%0.07929%0.289CS..THydrogen-bonded Turntrans-71.2-15.3177.1-60.1-173.3000113.7T298 L315 Q319 L320 F327 V360 F361 C364T298-L317 HydrophobicContact CG2-CD1 4.45Å; T298-L317 HydrophobicContact CG2-CD2 4.06Å; T298-L317 HydrophobicContact CG2-CG 4.41Å; L315-L317 HydrophobicContact CD2-CD2 4.04Å; L315-L317 HydrophobicContact CG-CD2 4.23Å; L315-L317 PolarHBondContact O-N 2.9Å; L317-Q319 PolarHBondContact O-N 2.93Å; L317-L320 WeakPolarHBondContact O-CB 3.45Å; L317-L320 PolarHBondContact O-N 2.77Å; L317-L320 VanDerWaalsContact O-N 3.1Å; L317-F327 HydrophobicContact CD2-CE2 4.37Å; L317-F327 HydrophobicContact CD2-CZ 4.5Å; L317-V360 HydrophobicContact CB-CG1 3.77Å; L317-V360 HydrophobicContact CD1-CG1 4.27Å; L317-F361 HydrophobicContact CD1-CB 4.21Å; L317-F361 HydrophobicContact CD1-CD2 4.49Å; L317-C364 HydrophobicContact CD2-CB 3.74Å
318S86.4Confident91.1Very high71 Ų7153 Ų5350%0.49731%0.307SS..Hα-helixtrans-61.4-32.2178.789.20000111.4D316 L320 L321 A322D316-S318 VanDerWaalsContact CG-OG 3.24Å; D316-S318 PolarHBondContact O-N 3.34Å; D316-S318 WeakPolarHBondContact OD1-CB 3.5Å; D316-S318 PolarHBondContact OD1-N 2.98Å; D316-S318 PolarHBondContact OD1-OG 3.06Å; D316-S318 VanDerWaalsContact OD1-OG 3.13Å; D316-S318 PolarHBondContact OD2-OG 2.97Å; S318-L320 VanDerWaalsContact C-N 3.26Å; S318-L320 PolarHBondContact O-N 3.33Å; S318-L321 PolarHBondContact O-N 3.02Å; S318-A322 PolarHBondContact O-N 3.4Å
319Q86.6Confident91.1Very high53 Ų5358.9 Ų58.925%0.24833%0.328CS..Hα-helixtrans-62.8-30.7177-167.5-175.912.600112.4L317 L321 A322 D323 G326 F327 T330L317-Q319 PolarHBondContact O-N 2.93Å; Q319-L321 PolarHBondContact O-N 3.17Å; Q319-A322 PolarHBondContact O-N 2.96Å; Q319-D323 CarbonylContact O-C 3.57Å; Q319-D323 PolarHBondContact O-N 3.24Å; Q319-G326 PolarHBondContact NE2-O 2.96Å; Q319-F327 HydrophobicContact CB-CD2 4.22Å; Q319-F327 HydrophobicContact CG-CB 4.17Å; Q319-T330 PolarHBondContact NE2-OG1 2.78Å; Q319-T330 PolarHBondContact OE1-OG1 2.72Å
320L88.9Confident91.1Very high11 Ų1161.2 Ų61.26%0.05834%0.343CS..Hα-helixtrans-61.4-34178.7178.560.5000112.3L317 S318 P324 F327 M363 C364 F367L317-L320 WeakPolarHBondContact O-CB 3.45Å; L317-L320 PolarHBondContact O-N 2.77Å; L317-L320 VanDerWaalsContact O-N 3.1Å; S318-L320 VanDerWaalsContact C-N 3.26Å; S318-L320 PolarHBondContact O-N 3.33Å; L320-P324 WeakPolarHBondContact O-CG 3.24Å; L320-F327 HydrophobicContact CB-CD1 4.36Å; L320-F327 HydrophobicContact CB-CD2 3.93Å; L320-F327 HydrophobicContact CB-CE2 4.13Å; L320-F327 HydrophobicContact CB-CG 4.04Å; L320-F327 HydrophobicContact CB-CZ 4.44Å; L320-F327 HydrophobicContact CD1-CD1 3.66Å; L320-F327 HydrophobicContact CD1-CE1 3.96Å; L320-F327 HydrophobicContact CD1-CG 4.08Å; L320-M363 HydrophobicContact CD2-CE 3.6Å; L320-M363 HydrophobicContact CD2-CG 4.26Å; L320-M363 HydrophobicContact CG-CE 3.82Å; L320-C364 VanDerWaalsContact CD2-CA 3.47Å; L320-C364 HydrophobicContact CD2-CB 3.8Å; L320-F367 HydrophobicContact CD1-CB 4.28Å; L320-F367 HydrophobicContact CD1-CD1 4.27Å; L320-F367 HydrophobicContact CD1-CD2 4.01Å; L320-F367 HydrophobicContact CD1-CE2 4.41Å; L320-F367 HydrophobicContact CD1-CG 3.93Å
321L87.3Confident91.3Very high117 Ų11753 Ų5361%0.61331%0.312SS*.Hα-helixtrans-84.7-37.4177.6-71172.5000112.2S318 Q319 V360 M363S318-L321 PolarHBondContact O-N 3.02Å; Q319-L321 PolarHBondContact O-N 3.17Å; L321-V360 HydrophobicContact CD1-CG1 4.49Å; L321-V360 HydrophobicContact CD1-CG2 4.38Å; L321-M363 HydrophobicContact CD1-CE 4.34Å; L321-M363 HydrophobicContact CD2-CE 3.23Å; L321-M363 HydrophobicContact CD2-SD 3.9Å; L321-M363 HydrophobicContact CG-CE 3.58Å
322A90.2Very high91.6Very high87 Ų8753.9 Ų53.972%0.71930%0.301SS*.Hα-helixtrans-81.2-43.3-174.500000113.5S318 Q319S318-A322 PolarHBondContact O-N 3.4Å; Q319-A322 PolarHBondContact O-N 2.96Å
323D92.6Very high91.6Very high66 Ų6657.6 Ų57.635%0.35332%0.32SS..  trans-146.384.4-179178.914.4000110.9Q319 A325 G326 F327 R329Q319-D323 CarbonylContact O-C 3.57Å; Q319-D323 PolarHBondContact O-N 3.24Å; D323-A325 PolarHBondContact O-N 3.3Å; D323-A325 PolarHBondContact OD1-N 3.13Å; D323-G326 PolarHBondContact O-N 2.84Å; D323-G326 VanDerWaalsContact O-N 3.15Å; D323-G326 PolarHBondContact OD1-N 3.06Å; D323-G326 WeakPolarHBondContact OD2-CA 3.1Å; D323-G326 PolarHBondContact OD2-N 2.89Å; D323-F327 PolarHBondContact O-N 3.41Å; D323-R329 IonicContact OD2-NH2 3.87Å
324P89.6Confident91.6Very high68 Ų6855 Ų5544%0.44231%0.31SS..Hα-helixtrans-58.6-29179.2-22.930.6000114L320 K328L320-P324 WeakPolarHBondContact O-CG 3.24Å; P324-K328 WeakPolarHBondContact O-CB 3.49Å; P324-K328 PolarHBondContact O-N 3.16Å
325A91.7Very high91.5Very high61 Ų6154 Ų5450%0.50430%0.3SS..Hα-helixtrans-76.9-38.5178.900000111.4D323 R329D323-A325 PolarHBondContact O-N 3.3Å; D323-A325 PolarHBondContact OD1-N 3.13Å; A325-R329 PolarHBondContact O-N 2.67Å; A325-R329 PolarHBondContact O-NE 3.21Å
326G93.1Very high91.5Very high3 Ų359.7 Ų59.73%0.03133%0.326CS..Hα-helixtrans-59.4-49.4167.100000111.9Q319 D323 K328 R329 T330Q319-G326 PolarHBondContact NE2-O 2.96Å; D323-G326 PolarHBondContact O-N 2.84Å; D323-G326 VanDerWaalsContact O-N 3.15Å; D323-G326 PolarHBondContact OD1-N 3.06Å; D323-G326 WeakPolarHBondContact OD2-CA 3.1Å; D323-G326 PolarHBondContact OD2-N 2.89Å; G326-K328 VanDerWaalsContact C-N 3.28Å; G326-K328 PolarHBondContact O-N 3.18Å; G326-R329 WeakPolarHBondContact O-CB 3.5Å; G326-R329 PolarHBondContact O-N 3.42Å; G326-T330 PolarHBondContact O-N 3.19Å; G326-T330 PolarHBondContact O-OG1 3.22Å; G326-T330 VanDerWaalsContact O-OG1 3.13Å
327F92.9Very high91.7Very high0 Ų061.9 Ų61.90%033%0.332CS..Hα-helixtrans-57.7-41.7178.4-176.3-93.5000112.2L315 L317 Q319 L320 D323 R329 T330 M331 F367L315-F327 HydrophobicContact CD1-CD2 4.48Å; L315-F327 HydrophobicContact CD1-CE2 3.8Å; L315-F327 HydrophobicContact CD1-CZ 4.44Å; L315-F327 HydrophobicContact CD2-CE2 3.96Å; L315-F327 HydrophobicContact CD2-CZ 3.88Å; L315-F327 HydrophobicContact CG-CE2 4.04Å; L315-F327 HydrophobicContact CG-CZ 4.47Å; L317-F327 HydrophobicContact CD2-CE2 4.37Å; L317-F327 HydrophobicContact CD2-CZ 4.5Å; Q319-F327 HydrophobicContact CB-CD2 4.22Å; Q319-F327 HydrophobicContact CG-CB 4.17Å; L320-F327 HydrophobicContact CB-CD1 4.36Å; L320-F327 HydrophobicContact CB-CD2 3.93Å; L320-F327 HydrophobicContact CB-CE2 4.13Å; L320-F327 HydrophobicContact CB-CG 4.04Å; L320-F327 HydrophobicContact CB-CZ 4.44Å; L320-F327 HydrophobicContact CD1-CD1 3.66Å; L320-F327 HydrophobicContact CD1-CE1 3.96Å; L320-F327 HydrophobicContact CD1-CG 4.08Å; D323-F327 PolarHBondContact O-N 3.41Å; F327-R329 VanDerWaalsContact C-N 3.34Å; F327-R329 PolarHBondContact O-N 3.19Å; F327-T330 WeakPolarHBondContact O-CB 3.31Å; F327-T330 PolarHBondContact O-N 3.46Å; F327-M331 HydrophobicContact CD1-CG 4.13Å; F327-M331 HydrophobicContact CE1-CG 3.7Å; F327-M331 HydrophobicContact CE1-SD 4.35Å; F327-M331 HydrophobicContact CZ-CE 4.27Å; F327-M331 HydrophobicContact CZ-CG 4.11Å; F327-M331 HydrophobicContact CZ-SD 4.24Å; F327-M331 WeakPolarHBondContact O-CG 3.49Å; F327-M331 PolarHBondContact O-N 3.16Å; F327-F367 HydrophobicContact CD1-CD1 4.08Å; F327-F367 AromaticContact CD1-CE1 3.8Å; F327-F367 HydrophobicContact CD1-CE1 3.8Å; F327-F367 HydrophobicContact CD1-CZ 4.45Å; F327-F367 AromaticContact CE1-CD1 3.89Å; F327-F367 HydrophobicContact CE1-CD1 3.89Å; F327-F367 HydrophobicContact CE1-CE1 4.02Å
328K92.9Very high91.8Very high89 Ų8961.4 Ų61.439%0.38733%0.33SS..Hα-helixtrans-58.9-44.1175.1-168.4-174.6-179.5-120.70112.1P324 G326 M331 E332 F367 M371P324-K328 WeakPolarHBondContact O-CB 3.49Å; P324-K328 PolarHBondContact O-N 3.16Å; G326-K328 VanDerWaalsContact C-N 3.28Å; G326-K328 PolarHBondContact O-N 3.18Å; K328-M331 WeakPolarHBondContact O-CB 3.48Å; K328-M331 PolarHBondContact O-N 2.95Å; K328-E332 WeakPolarHBondContact CE-OE1 3.33Å; K328-E332 IonicContact NZ-OE1 3.59Å; K328-E332 PolarHBondContact NZ-OE1 2.95Å; K328-E332 WeakPolarHBondContact O-CG 3.4Å; K328-E332 PolarHBondContact O-N 3Å; K328-F367 HydrophobicContact CB-CZ 4.25Å; K328-M371 HydrophobicContact CD-CE 4.27Å; K328-M371 HydrophobicContact CG-CE 3.85Å; K328-M371 HydrophobicContact CG-SD 4.08Å
329R94.1Very high91.8Very high146 Ų14661.7 Ų61.755%0.55132%0.324SS*.Hα-helixtrans-63.5-44.1176.4-72.1179-73.1176.50.8111.5D323 A325 G326 F327 M331 E332 D333D323-R329 IonicContact OD2-NH2 3.87Å; A325-R329 PolarHBondContact O-N 2.67Å; A325-R329 PolarHBondContact O-NE 3.21Å; G326-R329 WeakPolarHBondContact O-CB 3.5Å; G326-R329 PolarHBondContact O-N 3.42Å; F327-R329 VanDerWaalsContact C-N 3.34Å; F327-R329 PolarHBondContact O-N 3.19Å; R329-M331 PolarHBondContact O-N 3.49Å; R329-E332 PolarHBondContact O-N 2.76Å; R329-E332 VanDerWaalsContact O-N 3.1Å; R329-D333 VanDerWaalsContact O-CG 3.31Å; R329-D333 PolarHBondContact O-N 3.41Å
330T94Very high91.8Very high50 Ų5064 Ų6431%0.30734%0.337SS..Hα-helixtrans-56.3-39.6174.2-500000111.7L315 Q319 G326 F327 L334L315-T330 HydrophobicContact CD1-CG2 4.17Å; Q319-T330 PolarHBondContact NE2-OG1 2.78Å; Q319-T330 PolarHBondContact OE1-OG1 2.72Å; G326-T330 PolarHBondContact O-N 3.19Å; G326-T330 PolarHBondContact O-OG1 3.22Å; G326-T330 VanDerWaalsContact O-OG1 3.13Å; F327-T330 WeakPolarHBondContact O-CB 3.31Å; F327-T330 PolarHBondContact O-N 3.46Å; T330-L334 VanDerWaalsContact O-CB 3.25Å; T330-L334 WeakPolarHBondContact O-CB 3.29Å; T330-L334 PolarHBondContact O-N 3.43Å
331M93.3Very high91.6Very high6 Ų667.4 Ų67.43%0.0336%0.358CS..Hα-helixtrans-67.9-41.5174.9-72.1-62.895.700113.4L315 F327 K328 R329 L334 E335 L368L315-M331 HydrophobicContact CD1-CE 3.19Å; L315-M331 HydrophobicContact CD2-CE 3.26Å; L315-M331 HydrophobicContact CD2-SD 3.97Å; L315-M331 HydrophobicContact CG-CE 3.78Å; F327-M331 HydrophobicContact CD1-CG 4.13Å; F327-M331 HydrophobicContact CE1-CG 3.7Å; F327-M331 HydrophobicContact CE1-SD 4.35Å; F327-M331 HydrophobicContact CZ-CE 4.27Å; F327-M331 HydrophobicContact CZ-CG 4.11Å; F327-M331 HydrophobicContact CZ-SD 4.24Å; F327-M331 WeakPolarHBondContact O-CG 3.49Å; F327-M331 PolarHBondContact O-N 3.16Å; K328-M331 WeakPolarHBondContact O-CB 3.48Å; K328-M331 PolarHBondContact O-N 2.95Å; R329-M331 PolarHBondContact O-N 3.49Å; M331-L334 HydrophobicContact CE-CD2 3.74Å; M331-L334 PolarHBondContact O-N 3.04Å; M331-L334 HydrophobicContact SD-CD2 4.49Å; M331-E335 WeakPolarHBondContact O-CB 3.26Å; M331-E335 PolarHBondContact O-N 3.01Å; M331-L368 HydrophobicContact CG-CD2 4.1Å; M331-L368 HydrophobicContact SD-CD2 4.07Å
332E93.7Very high91.4Very high78 Ų7863.5 Ų63.536%0.36434%0.338SS..Hα-helixtrans-63.1-43.5176.1-71.2167.3174.300110.7K328 R329 L334 E335 E336K328-E332 WeakPolarHBondContact CE-OE1 3.33Å; K328-E332 IonicContact NZ-OE1 3.59Å; K328-E332 PolarHBondContact NZ-OE1 2.95Å; K328-E332 WeakPolarHBondContact O-CG 3.4Å; K328-E332 PolarHBondContact O-N 3Å; R329-E332 PolarHBondContact O-N 2.76Å; R329-E332 VanDerWaalsContact O-N 3.1Å; E332-L334 PolarHBondContact O-N 3.34Å; E332-E335 PolarHBondContact O-N 2.86Å; E332-E336 PolarHBondContact O-N 2.91Å
333D94.6Very high91Very high91 Ų9163 Ų6349%0.48733%0.327SS..Hα-helixtrans-65-39.2176.3-64.8-14000112.1R329 K337R329-D333 VanDerWaalsContact O-CG 3.31Å; R329-D333 PolarHBondContact O-N 3.41Å; D333-K337 WeakPolarHBondContact O-CG 3.47Å; D333-K337 PolarHBondContact O-N 3.11Å; D333-K337 VanDerWaalsContact O-N 3.16Å
334L93.7Very high90.6Very high13 Ų1361.3 Ų61.37%0.06832%0.318CS..Hα-helixtrans-68.7-40.9177.3-179.861.6000111.3I296 Y313 T330 M331 E332 K337 C338 W347I296-L334 HydrophobicContact CD1-CD2 3.86Å; I296-L334 HydrophobicContact CD1-CG 4.4Å; I296-L334 HydrophobicContact CG1-CD2 4.43Å; I296-L334 HydrophobicContact CG2-CD2 4.26Å; Y313-L334 HydrophobicContact CD1-CD1 3.51Å; Y313-L334 HydrophobicContact CD2-CD1 3.97Å; Y313-L334 HydrophobicContact CE1-CD1 4.1Å; Y313-L334 HydrophobicContact CG-CD1 3.43Å; Y313-L334 VanDerWaalsContact CG-CD1 3.43Å; T330-L334 VanDerWaalsContact O-CB 3.25Å; T330-L334 WeakPolarHBondContact O-CB 3.29Å; T330-L334 PolarHBondContact O-N 3.43Å; M331-L334 HydrophobicContact CE-CD2 3.74Å; M331-L334 PolarHBondContact O-N 3.04Å; M331-L334 HydrophobicContact SD-CD2 4.49Å; E332-L334 PolarHBondContact O-N 3.34Å; L334-K337 WeakPolarHBondContact O-CB 3.16Å; L334-K337 PolarHBondContact O-N 2.84Å; L334-C338 PolarHBondContact O-N 2.77Å; L334-C338 PolarHBondContact O-SG 3.11Å; L334-W347 HydrophobicContact CD2-CH2 4.37Å; L334-W347 HydrophobicContact CD2-CZ3 3.92Å; L334-W347 HydrophobicContact CG-CH2 4.25Å; L334-W347 HydrophobicContact CG-CZ3 4.16Å
335E93.6Very high90.7Very high33 Ų3358.6 Ų58.615%0.15430%0.299CS..Hα-helixtrans-61.8-43.2175.1179.1172.9-148.400111.5M331 E332 K337 C338 H339 F345 W347 K373M331-E335 WeakPolarHBondContact O-CB 3.26Å; M331-E335 PolarHBondContact O-N 3.01Å; E332-E335 PolarHBondContact O-N 2.86Å; E335-K337 VanDerWaalsContact C-N 3.35Å; E335-K337 PolarHBondContact O-N 2.82Å; E335-C338 PolarHBondContact O-N 3.03Å; E335-H339 WeakPolarHBondContact CG-CE1 3.43Å; E335-H339 WeakPolarHBondContact CG-ND1 3.2Å; E335-H339 PolarHBondContact O-N 2.94Å; E335-H339 PolarHBondContact O-ND1 2.95Å; E335-H339 IonicContact OE1-CE1 3.88Å; E335-F345 HydrophobicContact CG-CZ 4.29Å; E335-W347 HydrophobicContact CB-CH2 4.01Å; E335-W347 HydrophobicContact CB-CZ2 3.78Å; E335-W347 HydrophobicContact CG-CZ2 4.02Å; E335-K373 IonicContact OE1-NZ 3.98Å; E335-K373 PolarHBondContact OE1-NZ 2.64Å; E335-K373 WeakPolarHBondContact OE2-CE 3.25Å; E335-K373 IonicContact OE2-NZ 2.77Å; E335-K373 PolarHBondContact OE2-NZ 2.97Å
336E93.2Very high90.8Very high124 Ų12455.8 Ų55.858%0.57928%0.276SS*.Hα-helixtrans-58.1-47.8174.5-172.9177.3-174.700110.6E332 C338 H339 L340E332-E336 PolarHBondContact O-N 2.91Å; E336-C338 VanDerWaalsContact C-N 3.33Å; E336-C338 PolarHBondContact O-N 2.86Å; E336-H339 PolarHBondContact O-N 3.2Å; E336-H339 VanDerWaalsContact O-N 3.16Å; E336-L340 WeakPolarHBondContact O-CG 3.41Å; E336-L340 PolarHBondContact O-N 3.26Å
337K92.6Very high90.9Very high118 Ų11856.1 Ų56.151%0.51328%0.276SS..Hα-helixtrans-58.1-42.9175.7-70.4170.7-173.7172.30113D333 L334 E335 L340D333-K337 WeakPolarHBondContact O-CG 3.47Å; D333-K337 PolarHBondContact O-N 3.11Å; D333-K337 VanDerWaalsContact O-N 3.16Å; L334-K337 WeakPolarHBondContact O-CB 3.16Å; L334-K337 PolarHBondContact O-N 2.84Å; E335-K337 VanDerWaalsContact C-N 3.35Å; E335-K337 PolarHBondContact O-N 2.82Å; K337-L340 PolarHBondContact O-N 3.16Å
338C91.7Very high91Very high4 Ų456.1 Ų56.13%0.02728%0.276CS..Hα-helixtrans-66.1-40177.1-68.60000111.8A294 L334 E335 E336 L340 V341 D342 F345A294-C338 HydrophobicContact CB-CB 4.43Å; L334-C338 PolarHBondContact O-N 2.77Å; L334-C338 PolarHBondContact O-SG 3.11Å; E335-C338 PolarHBondContact O-N 3.03Å; E336-C338 VanDerWaalsContact C-N 3.33Å; E336-C338 PolarHBondContact O-N 2.86Å; C338-L340 VanDerWaalsContact C-N 3.3Å; C338-L340 PolarHBondContact O-N 3.31Å; C338-V341 PolarHBondContact O-N 3.49Å; C338-V341 VanDerWaalsContact O-N 3.11Å; C338-D342 PolarHBondContact O-N 3.16Å; C338-F345 HydrophobicContact CB-CD1 3.81Å; C338-F345 HydrophobicContact CB-CD2 3.87Å; C338-F345 HydrophobicContact CB-CE1 3.54Å; C338-F345 HydrophobicContact CB-CE2 3.6Å; C338-F345 HydrophobicContact CB-CG 3.95Å; C338-F345 HydrophobicContact CB-CZ 3.43Å; C338-F345 VanDerWaalsContact CB-CZ 3.43Å
339H87.4Confident91.1Very high78 Ų7852 Ų5236%0.36126%0.258SS..Hα-helixtrans-63.8-33.2177.1-8193.5000113.1E335 E336 V341 D342 P343 F345E335-H339 WeakPolarHBondContact CG-CE1 3.43Å; E335-H339 WeakPolarHBondContact CG-ND1 3.2Å; E335-H339 PolarHBondContact O-N 2.94Å; E335-H339 PolarHBondContact O-ND1 2.95Å; E335-H339 IonicContact OE1-CE1 3.88Å; E336-H339 PolarHBondContact O-N 3.2Å; E336-H339 VanDerWaalsContact O-N 3.16Å; H339-V341 PolarHBondContact O-N 3.36Å; H339-D342 CarbonylContact O-C 3.45Å; H339-P343 WeakPolarHBondContact O-CD 3.14Å; H339-F345 AromaticContact CE1-CE1 3.59Å; H339-F345 AromaticContact ND1-CE1 3.53Å
340L87.4Confident91.1Very high101 Ų10145 Ų4553%0.52923%0.232SC..Hα-helixtrans-63.1-33.5174-64.4171.6000111.6E336 K337 C338 E559E336-L340 WeakPolarHBondContact O-CG 3.41Å; E336-L340 PolarHBondContact O-N 3.26Å; K337-L340 PolarHBondContact O-N 3.16Å; C338-L340 VanDerWaalsContact C-N 3.3Å; C338-L340 PolarHBondContact O-N 3.31Å; L340-E559 VanDerWaalsContact CD2-OE1 3.25Å; L340-E559 WeakPolarHBondContact CD2-OE1 3.31Å
341V84.3Confident91.1Very high83 Ų8343.1 Ų43.150%0.50322%0.221SC..Hα-helixtrans-79-49.7175.8-179.30000110.8C338 H339C338-V341 PolarHBondContact O-N 3.49Å; C338-V341 VanDerWaalsContact O-N 3.11Å; H339-V341 PolarHBondContact O-N 3.36Å
342D83.1Confident90.9Very high35 Ų3543.2 Ų43.219%0.18722%0.222CC..  trans-150.8116.5176.3-176.3-7.2000111.5N292 C338 H339 D344 F345 K539N292-D342 HydrophobicContact CB-CB 4.48Å; N292-D342 WeakPolarHBondContact CB-OD2 3.3Å; N292-D342 VanDerWaalsContact ND2-CB 3.26Å; N292-D342 WeakPolarHBondContact ND2-CB 3.45Å; N292-D342 PolarHBondContact ND2-OD2 3.01Å; N292-D342 VanDerWaalsContact ND2-OD2 3.14Å; C338-D342 PolarHBondContact O-N 3.16Å; H339-D342 CarbonylContact O-C 3.45Å; D342-D344 PolarHBondContact O-N 2.96Å; D342-D344 VanDerWaalsContact O-N 3.08Å; D342-D344 PolarHBondContact OD1-N 3.18Å; D342-F345 HydrophobicContact CB-CB 4.24Å; D342-F345 WeakPolarHBondContact O-CB 3.44Å; D342-F345 VanDerWaalsContact O-CD1 3.27Å; D342-F345 WeakPolarHBondContact O-CD1 2.74Å; D342-F345 PolarHBondContact O-N 2.89Å; D342-K539 IonicContact OD1-NZ 2.94Å; D342-K539 PolarHBondContact OD1-NZ 3.35Å
343P82.2Confident90.6Very high76 Ų7640.7 Ų40.749%0.49422%0.217SC..THydrogen-bonded Turntrans-64.1-12177.7-9.79.9000116H339 K539H339-P343 WeakPolarHBondContact O-CD 3.14Å; P343-K539 HydrophobicContact CB-CD 4.45Å; P343-K539 VanDerWaalsContact CB-NZ 3.26Å; P343-K539 HydrophobicContact CG-CD 4.13Å
344D83.8Confident89.9Confident30 Ų3038 Ų3816%0.1620%0.203CC..THydrogen-bonded Turntrans-119.229-177.7-153.739.2000110R240 D342 H346 K529R240-D344 IonicContact CZ-OD2 3.69Å; R240-D344 IonicContact NE-OD2 2.58Å; R240-D344 PolarHBondContact NE-OD2 3.18Å; R240-D344 IonicContact NH2-OD2 3.01Å; R240-D344 PolarHBondContact NH2-OD2 3.07Å; D342-D344 PolarHBondContact O-N 2.96Å; D342-D344 VanDerWaalsContact O-N 3.08Å; D342-D344 PolarHBondContact OD1-N 3.18Å; D344-H346 PolarHBondContact O-CD2 3.39Å; D344-K529 IonicContact OD1-NZ 3.58Å; D344-K529 PolarHBondContact OD1-NZ 3.3Å; D344-K529 IonicContact OD2-NZ 3.56Å; D344-K529 PolarHBondContact OD2-NZ 3.07Å
345F90.9Very high89Confident12 Ų1246 Ų465%0.05324%0.24CC..  trans-67156.6-177.879.3-82.5000112.9A294 E335 C338 H339 D342 W347A294-F345 HydrophobicContact CB-CD2 3.51Å; A294-F345 HydrophobicContact CB-CE2 3.93Å; A294-F345 HydrophobicContact CB-CG 4.46Å; E335-F345 HydrophobicContact CG-CZ 4.29Å; C338-F345 HydrophobicContact CB-CD1 3.81Å; C338-F345 HydrophobicContact CB-CD2 3.87Å; C338-F345 HydrophobicContact CB-CE1 3.54Å; C338-F345 HydrophobicContact CB-CE2 3.6Å; C338-F345 HydrophobicContact CB-CG 3.95Å; C338-F345 HydrophobicContact CB-CZ 3.43Å; C338-F345 VanDerWaalsContact CB-CZ 3.43Å; H339-F345 AromaticContact CE1-CE1 3.59Å; H339-F345 AromaticContact ND1-CE1 3.53Å; D342-F345 HydrophobicContact CB-CB 4.24Å; D342-F345 WeakPolarHBondContact O-CB 3.44Å; D342-F345 VanDerWaalsContact O-CD1 3.27Å; D342-F345 WeakPolarHBondContact O-CD1 2.74Å; D342-F345 PolarHBondContact O-N 2.89Å; F345-W347 AromaticContact CE2-CD1 3.79Å; F345-W347 AromaticContact CE2-CD2 3.58Å; F345-W347 HydrophobicContact CE2-CD2 3.58Å; F345-W347 AromaticContact CE2-CE2 3.3Å; F345-W347 HydrophobicContact CE2-CE3 4.15Å; F345-W347 AromaticContact CE2-CG 3.9Å; F345-W347 HydrophobicContact CE2-CG 3.9Å; F345-W347 HydrophobicContact CE2-CH2 4.25Å; F345-W347 AromaticContact CE2-CZ2 3.7Å; F345-W347 HydrophobicContact CE2-CZ2 3.7Å; F345-W347 HydrophobicContact CE2-CZ3 4.45Å; F345-W347 AromaticContact CE2-NE1 3.41Å; F345-W347 HydrophobicContact CZ-CD2 4.19Å; F345-W347 AromaticContact CZ-CE2 3.42Å; F345-W347 VanDerWaalsContact CZ-CE2 3.42Å; F345-W347 HydrophobicContact CZ-CH2 4.18Å; F345-W347 AromaticContact CZ-CZ2 3.44Å; F345-W347 HydrophobicContact CZ-CZ2 3.44Å; F345-W347 VanDerWaalsContact CZ-CZ2 3.44Å; F345-W347 AromaticContact CZ-NE1 3.49Å
346H94.8Very high88Confident2 Ų248.7 Ų48.71%0.00926%0.262CS..EExtended strand (participates in β ladder)trans-113.9130.4178.6-69.6-119.7000110.3Y132 R240 I291 N292 F293 A294 D344 Y375Y132-H346 AromaticContact CE1-CE1 3.93Å; Y132-H346 AromaticContact CE1-ND1 3.57Å; Y132-H346 AromaticContact CZ-ND1 3.46Å; Y132-H346 PolarHBondContact OH-ND1 3.42Å; R240-H346 PolarHBondContact O-CE1 3.09Å; I291-H346 HydrophobicContact CG2-CB 3.75Å; I291-H346 VanDerWaalsContact CG2-CG 3.48Å; N292-H346 PolarHBondContact O-N 3.4Å; F293-H346 CarbonylContact C-O 3.5Å; F293-H346 VanDerWaalsContact CA-O 3.29Å; F293-H346 WeakPolarHBondContact CA-O 3.49Å; F293-H346 HydrophobicContact CD1-CB 3.9Å; F293-H346 HydrophobicContact CE1-CB 4.15Å; A294-H346 PolarHBondContact N-O 2.92Å; D344-H346 PolarHBondContact O-CD2 3.39Å; H346-Y375 AromaticContact CD2-CD2 3.96Å; H346-Y375 AromaticContact CE1-CD1 3.48Å; H346-Y375 VanDerWaalsContact CE1-CD1 3.48Å; H346-Y375 WeakPolarHBondContact CE1-CD1 3.39Å; H346-Y375 AromaticContact CE1-CD2 3.72Å; H346-Y375 AromaticContact CE1-CE1 3.78Å; H346-Y375 AromaticContact CE1-CE2 4Å; H346-Y375 AromaticContact CE1-CG 3.46Å; H346-Y375 VanDerWaalsContact CE1-CG 3.46Å; H346-Y375 AromaticContact CG-CG 3.89Å; H346-Y375 WeakPolarHBondContact ND1-CB 3.46Å; H346-Y375 AromaticContact ND1-CD1 3.71Å; H346-Y375 AromaticContact ND1-CD2 3.96Å; H346-Y375 AromaticContact ND1-CG 3.44Å; H346-Y375 AromaticContact NE2-CD2 3.76Å; H346-Y375 AromaticContact NE2-CE2 3.88Å; H346-Y375 AromaticContact NE2-CG 3.98Å
347W95.3Very high87.1Confident9 Ų945.5 Ų45.53%0.03425%0.249CC..EExtended strand (participates in β ladder)trans-75.6131178.9-63.887.6000111.1I296 L334 E335 F345 F349 Y375 I376 S377I296-W347 HydrophobicContact CD1-CE3 3.99Å; I296-W347 HydrophobicContact CD1-CZ3 3.86Å; I296-W347 HydrophobicContact CG1-CE3 3.62Å; I296-W347 HydrophobicContact CG1-CZ3 3.83Å; L334-W347 HydrophobicContact CD2-CH2 4.37Å; L334-W347 HydrophobicContact CD2-CZ3 3.92Å; L334-W347 HydrophobicContact CG-CH2 4.25Å; L334-W347 HydrophobicContact CG-CZ3 4.16Å; E335-W347 HydrophobicContact CB-CH2 4.01Å; E335-W347 HydrophobicContact CB-CZ2 3.78Å; E335-W347 HydrophobicContact CG-CZ2 4.02Å; F345-W347 AromaticContact CE2-CD1 3.79Å; F345-W347 AromaticContact CE2-CD2 3.58Å; F345-W347 HydrophobicContact CE2-CD2 3.58Å; F345-W347 AromaticContact CE2-CE2 3.3Å; F345-W347 HydrophobicContact CE2-CE3 4.15Å; F345-W347 AromaticContact CE2-CG 3.9Å; F345-W347 HydrophobicContact CE2-CG 3.9Å; F345-W347 HydrophobicContact CE2-CH2 4.25Å; F345-W347 AromaticContact CE2-CZ2 3.7Å; F345-W347 HydrophobicContact CE2-CZ2 3.7Å; F345-W347 HydrophobicContact CE2-CZ3 4.45Å; F345-W347 AromaticContact CE2-NE1 3.41Å; F345-W347 HydrophobicContact CZ-CD2 4.19Å; F345-W347 AromaticContact CZ-CE2 3.42Å; F345-W347 VanDerWaalsContact CZ-CE2 3.42Å; F345-W347 HydrophobicContact CZ-CH2 4.18Å; F345-W347 AromaticContact CZ-CZ2 3.44Å; F345-W347 HydrophobicContact CZ-CZ2 3.44Å; F345-W347 VanDerWaalsContact CZ-CZ2 3.44Å; F345-W347 AromaticContact CZ-NE1 3.49Å; W347-F349 HydrophobicContact CB-CD2 4.3Å; W347-F349 HydrophobicContact CB-CE2 3.77Å; W347-F349 HydrophobicContact CD2-CE2 4.27Å; W347-F349 HydrophobicContact CD2-CZ 4.39Å; W347-F349 AromaticContact CE3-CE2 3.97Å; W347-F349 HydrophobicContact CE3-CE2 3.97Å; W347-F349 AromaticContact CE3-CZ 3.75Å; W347-F349 HydrophobicContact CE3-CZ 3.75Å; W347-F349 HydrophobicContact CG-CE2 4.25Å; W347-F349 HydrophobicContact CZ3-CZ 4.31Å; W347-Y375 PolarHBondContact N-O 2.9Å; W347-Y375 VanDerWaalsContact O-O 3.11Å; W347-I376 HydrophobicContact CB-CD1 3.86Å; W347-I376 HydrophobicContact CD2-CD1 4.37Å; W347-I376 HydrophobicContact CG-CD1 3.7Å; W347-S377 PolarHBondContact O-N 3.37Å; W347-S377 PolarHBondContact O-OG 3.46Å
348C95.2Very high86.4Confident1 Ų141.8 Ų41.81%0.00724%0.235CC..EExtended strand (participates in β ladder)trans-127.9104.2170.1-164.40000110.8F293 A294 I295 I296F293-C348 HydrophobicContact CB-CB 4.27Å; F293-C348 HydrophobicContact CD1-CB 3.96Å; F293-C348 HydrophobicContact CG-CB 4.42Å; A294-C348 PolarHBondContact O-N 3.35Å; I295-C348 WeakPolarHBondContact CA-O 3.47Å; I296-C348 PolarHBondContact N-O 2.98Å
349F94.9Very high86Confident1 Ų145.3 Ų45.30%0.00426%0.26CS..EExtended strand (participates in β ladder)trans-83.5128.2180-73.2-90.9000111.2I296 T298 L315 W347 F361 L368 I376 S377 T378 A379I296-F349 HydrophobicContact CB-CD1 3.87Å; I296-F349 HydrophobicContact CB-CE1 3.86Å; I296-F349 HydrophobicContact CB-CG 4.47Å; I296-F349 HydrophobicContact CB-CZ 4.44Å; I296-F349 HydrophobicContact CG1-CD1 4.43Å; I296-F349 HydrophobicContact CG1-CE1 4.07Å; I296-F349 HydrophobicContact CG1-CZ 4.15Å; I296-F349 HydrophobicContact CG2-CD1 4.05Å; I296-F349 HydrophobicContact CG2-CE1 3.8Å; T298-F349 HydrophobicContact CG2-CD1 3.8Å; L315-F349 HydrophobicContact CD2-CE1 4.18Å; W347-F349 HydrophobicContact CB-CD2 4.3Å; W347-F349 HydrophobicContact CB-CE2 3.77Å; W347-F349 HydrophobicContact CD2-CE2 4.27Å; W347-F349 HydrophobicContact CD2-CZ 4.39Å; W347-F349 AromaticContact CE3-CE2 3.97Å; W347-F349 HydrophobicContact CE3-CE2 3.97Å; W347-F349 AromaticContact CE3-CZ 3.75Å; W347-F349 HydrophobicContact CE3-CZ 3.75Å; W347-F349 HydrophobicContact CG-CE2 4.25Å; W347-F349 HydrophobicContact CZ3-CZ 4.31Å; F349-F361 HydrophobicContact CB-CE2 3.72Å; F349-F361 HydrophobicContact CB-CZ 3.88Å; F349-L368 HydrophobicContact CD2-CD1 4.33Å; F349-L368 HydrophobicContact CE1-CD1 3.67Å; F349-L368 HydrophobicContact CE2-CD1 3.43Å; F349-L368 VanDerWaalsContact CE2-CD1 3.43Å; F349-L368 HydrophobicContact CZ-CD1 3.05Å; F349-L368 HydrophobicContact CZ-CG 4.48Å; F349-I376 HydrophobicContact CD2-CG2 4.46Å; F349-I376 HydrophobicContact CE2-CD1 4.04Å; F349-I376 HydrophobicContact CE2-CG2 4.48Å; F349-S377 PolarHBondContact N-O 2.9Å; F349-T378 HydrophobicContact CB-CG2 4.42Å; F349-T378 CarbonylContact O-C 3.23Å; F349-T378 WeakPolarHBondContact O-CA 3.48Å; F349-A379 PolarHBondContact O-N 3.5Å
350L93.8Very high85.9Confident1 Ų143.6 Ų43.61%0.00525%0.254CS..EExtended strand (participates in β ladder)trans-113.3109.7-175.2-177.672.2000110.3I295 I296 D297 T298 I309 A379 G382 Y383 I386I295-L350 HydrophobicContact CG2-CB 4.24Å; I295-L350 HydrophobicContact CG2-CD2 4.24Å; I296-L350 PolarHBondContact O-N 3.38Å; D297-L350 HydrophobicContact CB-CD2 4.46Å; T298-L350 PolarHBondContact N-O 3.14Å; T298-L350 PolarHBondContact OG1-O 3.35Å; T298-L350 VanDerWaalsContact OG1-O 3.09Å; I309-L350 HydrophobicContact CD1-CD2 3.8Å; L350-A379 HydrophobicContact CD1-CB 3.6Å; L350-G382 VanDerWaalsContact CD1-C 3.47Å; L350-Y383 HydrophobicContact CD2-CD2 4.42Å; L350-I386 HydrophobicContact CD1-CD1 3.61Å
351S92.7Very high86.1Confident9 Ų939 Ų396%0.06323%0.23CC..  trans-84.9176.5171.375.60000111.6G353 G382 Y383S351-G353 PolarHBondContact O-N 3.32Å; S351-G353 PolarHBondContact OG-N 3.5Å; S351-G382 CarbonylContact O-C 3.5Å; S351-G382 VanDerWaalsContact O-CA 3.26Å; S351-G382 WeakPolarHBondContact O-CA 3.45Å; S351-Y383 PolarHBondContact O-N 2.96Å
352S90.6Very high86.2Confident8 Ų839.5 Ų39.56%0.05622%0.224CC..  trans-65.1-27.7171.559.30000113L354 D357 K384S352-L354 VanDerWaalsContact C-N 3.33Å; S352-L354 PolarHBondContact OG-N 2.89Å; S352-D357 WeakPolarHBondContact CB-OD2 3.38Å; S352-D357 PolarHBondContact OG-OD2 3.01Å; S352-K384 WeakPolarHBondContact O-CB 3.45Å; S352-K384 PolarHBondContact O-N 3.09Å
353G86.5Confident86.5Confident26 Ų2640.5 Ų40.527%0.26823%0.228SC..SBendtrans80.713.6-167.200000113.4S351 G381S351-G353 PolarHBondContact O-N 3.32Å; S351-G353 PolarHBondContact OG-N 3.5Å; G353-G381 WeakPolarHBondContact CA-O 3.46Å
354L80.7Confident86.9Confident35 Ų3536.9 Ų36.918%0.18320%0.204CC..  trans-103.5135172.8-58.3176.5000110.1S352 S356 D357 K384 E411S352-L354 VanDerWaalsContact C-N 3.33Å; S352-L354 PolarHBondContact OG-N 2.89Å; L354-S356 PolarHBondContact O-N 2.91Å; L354-S356 VanDerWaalsContact O-N 3.07Å; L354-D357 PolarHBondContact O-N 2.97Å; L354-D357 VanDerWaalsContact O-N 3.14Å; L354-K384 HydrophobicContact CD2-CD 4.35Å; L354-E411 WeakPolarHBondContact CD2-OE1 3Å
355E74.3Confident87.2Confident181 Ų18135.5 Ų35.585%0.84620%0.197SC*.THydrogen-bonded Turntrans-60-24.2-176.9-63.8-177171.300113.6D357E355-D357 VanDerWaalsContact C-N 3.25Å; E355-D357 PolarHBondContact O-N 2.75Å
356S73.3Confident87.1Confident89 Ų8936.1 Ų36.162%0.62220%0.204SC*.THydrogen-bonded Turntrans-63.4-30.217955.20000113.3L354L354-S356 PolarHBondContact O-N 2.91Å; L354-S356 VanDerWaalsContact O-N 3.07Å
357D73.8Confident86.9Confident56 Ų5638.4 Ų38.430%0.29921%0.214SC..THydrogen-bonded Turntrans-99.1-14.4-169.5-56-12.9000112S352 L354 E355 S359 F361S352-D357 WeakPolarHBondContact CB-OD2 3.38Å; S352-D357 PolarHBondContact OG-OD2 3.01Å; L354-D357 PolarHBondContact O-N 2.97Å; L354-D357 VanDerWaalsContact O-N 3.14Å; E355-D357 VanDerWaalsContact C-N 3.25Å; E355-D357 PolarHBondContact O-N 2.75Å; D357-S359 VanDerWaalsContact C-N 3.28Å; D357-S359 PolarHBondContact O-N 2.58Å; D357-F361 PolarHBondContact O-N 2.72Å
358D78.4Confident86.7Confident40 Ų4038.1 Ų38.121%0.21421%0.213CC..Hα-helixtrans-59.4-34.2-172.7-86.91.6000113.4V360 F361 Y362D358-V360 PolarHBondContact O-N 2.94Å; D358-F361 WeakPolarHBondContact O-CB 3.18Å; D358-F361 PolarHBondContact O-N 3.17Å; D358-Y362 HydrophobicContact CB-CD2 3.93Å; D358-Y362 HydrophobicContact CB-CE2 3.63Å; D358-Y362 WeakPolarHBondContact O-CB 3.39Å; D358-Y362 WeakPolarHBondContact O-CD2 3.46Å; D358-Y362 PolarHBondContact O-N 3.28Å
359S82.7Confident86.5Confident79 Ų7938.9 Ų38.955%0.55222%0.217SC*.Hα-helixtrans-64.1-45.7-173.265.70000113.4D357 M363D357-S359 VanDerWaalsContact C-N 3.28Å; D357-S359 PolarHBondContact O-N 2.58Å; S359-M363 PolarHBondContact O-N 2.75Å
360V86Confident86.2Confident42 Ų4245.7 Ų45.726%0.25525%0.247SC..Hα-helixtrans-74.3-37.9178-173.10000109.9L317 L321 D358 M363 C364L317-V360 HydrophobicContact CB-CG1 3.77Å; L317-V360 HydrophobicContact CD1-CG1 4.27Å; L321-V360 HydrophobicContact CD1-CG1 4.49Å; L321-V360 HydrophobicContact CD1-CG2 4.38Å; D358-V360 PolarHBondContact O-N 2.94Å; V360-M363 HydrophobicContact CG1-CE 4.2Å; V360-M363 WeakPolarHBondContact O-CB 3.43Å; V360-M363 PolarHBondContact O-N 3.48Å; V360-C364 PolarHBondContact O-N 3.19Å
361F90Very high86Confident4 Ų447.9 Ų47.92%0.01826%0.258CS..Hα-helixtrans-55.5-53.4174.1175.9-104.6000112.5T298 L317 F349 D357 D358 M363 C364 V365 T378T298-F361 HydrophobicContact CG2-CD2 4.26Å; T298-F361 HydrophobicContact CG2-CE2 4.24Å; T298-F361 VanDerWaalsContact OG1-CD2 3.25Å; T298-F361 WeakPolarHBondContact OG1-CD2 3.44Å; L317-F361 HydrophobicContact CD1-CB 4.21Å; L317-F361 HydrophobicContact CD1-CD2 4.49Å; F349-F361 HydrophobicContact CB-CE2 3.72Å; F349-F361 HydrophobicContact CB-CZ 3.88Å; D357-F361 PolarHBondContact O-N 2.72Å; D358-F361 WeakPolarHBondContact O-CB 3.18Å; D358-F361 PolarHBondContact O-N 3.17Å; F361-M363 VanDerWaalsContact C-N 3.26Å; F361-M363 PolarHBondContact O-N 3.13Å; F361-C364 VanDerWaalsContact O-CB 3.29Å; F361-C364 WeakPolarHBondContact O-CB 3.32Å; F361-C364 PolarHBondContact O-N 3.36Å; F361-C364 VanDerWaalsContact O-N 3.08Å; F361-V365 HydrophobicContact CE1-CG2 4.3Å; F361-V365 HydrophobicContact CZ-CG2 4.36Å; F361-V365 PolarHBondContact O-N 3.41Å; F361-T378 HydrophobicContact CE1-CG2 3.73Å; F361-T378 HydrophobicContact CZ-CG2 3.61Å
362Y88.2Confident86Confident94 Ų9451.6 Ų51.637%0.36927%0.274SS..Hα-helixtrans-66.6-28.4178.3-69.2-57.2000112.4M270 D358 C364 V365 A366M270-Y362 VanDerWaalsContact CE-O 3.32Å; M270-Y362 WeakPolarHBondContact CE-O 3.37Å; D358-Y362 HydrophobicContact CB-CD2 3.93Å; D358-Y362 HydrophobicContact CB-CE2 3.63Å; D358-Y362 WeakPolarHBondContact O-CB 3.39Å; D358-Y362 WeakPolarHBondContact O-CD2 3.46Å; D358-Y362 PolarHBondContact O-N 3.28Å; Y362-C364 VanDerWaalsContact C-N 3.35Å; Y362-V365 PolarHBondContact O-N 2.97Å; Y362-A366 WeakPolarHBondContact O-CB 3.29Å; Y362-A366 PolarHBondContact O-N 2.91Å
363M88.3Confident86Confident56 Ų5653.5 Ų53.528%0.27628%0.281SS..Hα-helixtrans-65.8-38.2172-173.1-179.168.500111.9L320 L321 S359 V360 F361 A366 F367L320-M363 HydrophobicContact CD2-CE 3.6Å; L320-M363 HydrophobicContact CD2-CG 4.26Å; L320-M363 HydrophobicContact CG-CE 3.82Å; L321-M363 HydrophobicContact CD1-CE 4.34Å; L321-M363 HydrophobicContact CD2-CE 3.23Å; L321-M363 HydrophobicContact CD2-SD 3.9Å; L321-M363 HydrophobicContact CG-CE 3.58Å; S359-M363 PolarHBondContact O-N 2.75Å; V360-M363 HydrophobicContact CG1-CE 4.2Å; V360-M363 WeakPolarHBondContact O-CB 3.43Å; V360-M363 PolarHBondContact O-N 3.48Å; F361-M363 VanDerWaalsContact C-N 3.26Å; F361-M363 PolarHBondContact O-N 3.13Å; M363-A366 PolarHBondContact O-N 2.72Å; M363-F367 WeakPolarHBondContact O-CB 3.38Å; M363-F367 PolarHBondContact O-N 2.87Å
364C90.2Very high86.3Confident0 Ų057.3 Ų57.30%029%0.288CS..Hα-helixtrans-61.6-48.3171.9176.70000111.7L317 L320 V360 F361 Y362 A366 F367 L368L317-C364 HydrophobicContact CD2-CB 3.74Å; L320-C364 VanDerWaalsContact CD2-CA 3.47Å; L320-C364 HydrophobicContact CD2-CB 3.8Å; V360-C364 PolarHBondContact O-N 3.19Å; F361-C364 VanDerWaalsContact O-CB 3.29Å; F361-C364 WeakPolarHBondContact O-CB 3.32Å; F361-C364 PolarHBondContact O-N 3.36Å; F361-C364 VanDerWaalsContact O-N 3.08Å; Y362-C364 VanDerWaalsContact C-N 3.35Å; C364-A366 VanDerWaalsContact C-N 3.28Å; C364-A366 PolarHBondContact O-N 2.9Å; C364-F367 WeakPolarHBondContact O-CB 3.26Å; C364-F367 PolarHBondContact O-N 2.68Å; C364-F367 VanDerWaalsContact O-N 3.1Å; C364-L368 WeakPolarHBondContact O-CG 3.48Å; C364-L368 PolarHBondContact O-N 3.25Å
365V91.3Very high87.1Confident1 Ų156.7 Ų56.71%0.00628%0.283CS..Hα-helixtrans-57.8-43.4176.1179.10000110.7M270 C271 F361 Y362 F367 L368 L369 I376 T378M270-V365 HydrophobicContact CE-CB 3.93Å; M270-V365 HydrophobicContact CE-CG1 3.82Å; C271-V365 HydrophobicContact CB-CG1 4.37Å; F361-V365 HydrophobicContact CE1-CG2 4.3Å; F361-V365 HydrophobicContact CZ-CG2 4.36Å; F361-V365 PolarHBondContact O-N 3.41Å; Y362-V365 PolarHBondContact O-N 2.97Å; V365-F367 VanDerWaalsContact C-N 3.31Å; V365-F367 PolarHBondContact O-N 3.38Å; V365-L368 PolarHBondContact O-N 3.3Å; V365-L369 HydrophobicContact CG1-CD1 4.06Å; V365-L369 HydrophobicContact CG1-CG 4.4Å; V365-L369 VanDerWaalsContact O-CG 3.28Å; V365-L369 WeakPolarHBondContact O-CG 3.02Å; V365-L369 PolarHBondContact O-N 3.4Å; V365-I376 HydrophobicContact CG1-CG2 4.2Å; V365-T378 HydrophobicContact CG2-CG2 3.88Å
366A89Confident88.1Confident25 Ų2548.2 Ų48.221%0.20724%0.243CC..Hα-helixtrans-62.1-39.7177.700000112.2M270 Y362 M363 C364 K370M270-A366 VanDerWaalsContact CE-CA 3.41Å; M270-A366 HydrophobicContact CE-CB 3.5Å; M270-A366 VanDerWaalsContact CE-CB 3.5Å; Y362-A366 WeakPolarHBondContact O-CB 3.29Å; Y362-A366 PolarHBondContact O-N 2.91Å; M363-A366 PolarHBondContact O-N 2.72Å; C364-A366 VanDerWaalsContact C-N 3.28Å; C364-A366 PolarHBondContact O-N 2.9Å; A366-K370 WeakPolarHBondContact O-CB 3.34Å; A366-K370 PolarHBondContact O-N 2.93Å
367F90.2Very high89.1Confident49 Ų4944 Ų4422%0.21521%0.214CC..Hα-helixtrans-61.5-45.7177.7178.3-95.1000111.4L320 F327 K328 M363 C364 V365 K370 M371L320-F367 HydrophobicContact CD1-CB 4.28Å; L320-F367 HydrophobicContact CD1-CD1 4.27Å; L320-F367 HydrophobicContact CD1-CD2 4.01Å; L320-F367 HydrophobicContact CD1-CE2 4.41Å; L320-F367 HydrophobicContact CD1-CG 3.93Å; F327-F367 HydrophobicContact CD1-CD1 4.08Å; F327-F367 AromaticContact CD1-CE1 3.8Å; F327-F367 HydrophobicContact CD1-CE1 3.8Å; F327-F367 HydrophobicContact CD1-CZ 4.45Å; F327-F367 AromaticContact CE1-CD1 3.89Å; F327-F367 HydrophobicContact CE1-CD1 3.89Å; F327-F367 HydrophobicContact CE1-CE1 4.02Å; K328-F367 HydrophobicContact CB-CZ 4.25Å; M363-F367 WeakPolarHBondContact O-CB 3.38Å; M363-F367 PolarHBondContact O-N 2.87Å; C364-F367 WeakPolarHBondContact O-CB 3.26Å; C364-F367 PolarHBondContact O-N 2.68Å; C364-F367 VanDerWaalsContact O-N 3.1Å; V365-F367 VanDerWaalsContact C-N 3.31Å; V365-F367 PolarHBondContact O-N 3.38Å; F367-K370 WeakPolarHBondContact O-CB 3.48Å; F367-K370 PolarHBondContact O-N 3.34Å; F367-M371 HydrophobicContact CD1-SD 3.94Å; F367-M371 HydrophobicContact CE1-CG 4.32Å; F367-M371 HydrophobicContact CE1-SD 3.28Å; F367-M371 WeakPolarHBondContact CE1-SD 3.28Å; F367-M371 HydrophobicContact CZ-SD 3.75Å; F367-M371 PolarHBondContact O-N 3.09Å
368L91.3Very high90.1Very high3 Ų341.7 Ų41.72%0.01620%0.202CC..Hα-helixtrans-67.6-40.4179.4-65.8169000112.8M331 F349 C364 V365 K370 M371 Q372 K373 I376M331-L368 HydrophobicContact CG-CD2 4.1Å; M331-L368 HydrophobicContact SD-CD2 4.07Å; F349-L368 HydrophobicContact CD2-CD1 4.33Å; F349-L368 HydrophobicContact CE1-CD1 3.67Å; F349-L368 HydrophobicContact CE2-CD1 3.43Å; F349-L368 VanDerWaalsContact CE2-CD1 3.43Å; F349-L368 HydrophobicContact CZ-CD1 3.05Å; F349-L368 HydrophobicContact CZ-CG 4.48Å; C364-L368 WeakPolarHBondContact O-CG 3.48Å; C364-L368 PolarHBondContact O-N 3.25Å; V365-L368 PolarHBondContact O-N 3.3Å; L368-K370 VanDerWaalsContact C-N 3.28Å; L368-K370 PolarHBondContact O-N 3.35Å; L368-M371 CarbonylContact O-C 3.52Å; L368-M371 WeakPolarHBondContact O-CA 3.33Å; L368-M371 WeakPolarHBondContact O-CB 3.42Å; L368-M371 PolarHBondContact O-N 3.28Å; L368-M371 VanDerWaalsContact O-N 3.08Å; L368-Q372 PolarHBondContact O-N 2.96Å; L368-K373 PolarHBondContact O-N 3.09Å; L368-I376 HydrophobicContact CB-CD1 4.12Å; L368-I376 HydrophobicContact CB-CG1 4.49Å; L368-I376 HydrophobicContact CD1-CD1 4.33Å
369L90.7Very high90.7Very high17 Ų1740 Ų409%0.08919%0.194CC..Hα-helixtrans-62.3-38.5173.9-67.5174.8000111.4I131 M270 C271 V365 M371 Q372 I376I131-L369 HydrophobicContact CD1-CB 4.4Å; I131-L369 HydrophobicContact CD1-CD1 3.84Å; I131-L369 HydrophobicContact CD1-CD2 3.74Å; I131-L369 HydrophobicContact CD1-CG 4.19Å; I131-L369 HydrophobicContact CG1-CD2 3.95Å; M270-L369 HydrophobicContact CB-CD1 3.98Å; M270-L369 HydrophobicContact CE-CD1 4.21Å; C271-L369 HydrophobicContact CB-CD1 4.31Å; C271-L369 HydrophobicContact CB-CD2 4.38Å; V365-L369 HydrophobicContact CG1-CD1 4.06Å; V365-L369 HydrophobicContact CG1-CG 4.4Å; V365-L369 VanDerWaalsContact O-CG 3.28Å; V365-L369 WeakPolarHBondContact O-CG 3.02Å; V365-L369 PolarHBondContact O-N 3.4Å; L369-M371 VanDerWaalsContact C-N 3.26Å; L369-M371 PolarHBondContact O-N 3.21Å; L369-Q372 WeakPolarHBondContact O-CA 3.35Å; L369-Q372 PolarHBondContact O-N 3.43Å; L369-I376 HydrophobicContact CD2-CB 4Å; L369-I376 HydrophobicContact CD2-CG1 4.28Å; L369-I376 HydrophobicContact CD2-CG2 4.16Å
370K88.6Confident91.1Very high144 Ų14439 Ų3963%0.62619%0.187SC*.Hα-helixtrans-65.5-29.8174.1-169.6-174.1-177.8-176.90112.5A366 F367 L368 Q372 L456A366-K370 WeakPolarHBondContact O-CB 3.34Å; A366-K370 PolarHBondContact O-N 2.93Å; F367-K370 WeakPolarHBondContact O-CB 3.48Å; F367-K370 PolarHBondContact O-N 3.34Å; L368-K370 VanDerWaalsContact C-N 3.28Å; L368-K370 PolarHBondContact O-N 3.35Å; K370-Q372 PolarHBondContact O-N 3.39Å; K370-L456 HydrophobicContact CD-CD2 3.73Å; K370-L456 HydrophobicContact CG-CD2 4.36Å
371M90.2Very high91.2Very high48 Ų4839 Ų3924%0.23620%0.195CC..THydrogen-bonded Turntrans-75.33.7171.1-70.6-177.157.300113.4K328 F367 L368 L369 K373K328-M371 HydrophobicContact CD-CE 4.27Å; K328-M371 HydrophobicContact CG-CE 3.85Å; K328-M371 HydrophobicContact CG-SD 4.08Å; F367-M371 HydrophobicContact CD1-SD 3.94Å; F367-M371 HydrophobicContact CE1-CG 4.32Å; F367-M371 HydrophobicContact CE1-SD 3.28Å; F367-M371 WeakPolarHBondContact CE1-SD 3.28Å; F367-M371 HydrophobicContact CZ-SD 3.75Å; F367-M371 PolarHBondContact O-N 3.09Å; L368-M371 CarbonylContact O-C 3.52Å; L368-M371 WeakPolarHBondContact O-CA 3.33Å; L368-M371 WeakPolarHBondContact O-CB 3.42Å; L368-M371 PolarHBondContact O-N 3.28Å; L368-M371 VanDerWaalsContact O-N 3.08Å; L369-M371 VanDerWaalsContact C-N 3.26Å; L369-M371 PolarHBondContact O-N 3.21Å; M371-K373 HydrophobicContact CB-CG 4.16Å; M371-K373 PolarHBondContact O-N 3.39Å
372Q91.4Very high91.3Very high86 Ų8638.8 Ų38.840%0.40219%0.194SC..THydrogen-bonded Turntrans57.233.7178.5-57.5176.4-15.300113.2P135 E136 L368 L369 K370P135-Q372 HydrophobicContact CB-CB 4.44Å; P135-Q372 VanDerWaalsContact CG-C 3.44Å; P135-Q372 HydrophobicContact CG-CB 4.25Å; P135-Q372 WeakPolarHBondContact CG-O 3.33Å; E136-Q372 HydrophobicContact CB-CG 4.46Å; L368-Q372 PolarHBondContact O-N 2.96Å; L369-Q372 WeakPolarHBondContact O-CA 3.35Å; L369-Q372 PolarHBondContact O-N 3.43Å; K370-Q372 PolarHBondContact O-N 3.39Å
373K91.1Very high91.5Very high48 Ų4834.6 Ų34.621%0.20918%0.178CC..  trans-74.2131.5174.5-64.9-58.7-169.9174.40110.7E335 L368 M371 I376E335-K373 IonicContact OE1-NZ 3.98Å; E335-K373 PolarHBondContact OE1-NZ 2.64Å; E335-K373 WeakPolarHBondContact OE2-CE 3.25Å; E335-K373 IonicContact OE2-NZ 2.77Å; E335-K373 PolarHBondContact OE2-NZ 2.97Å; L368-K373 PolarHBondContact O-N 3.09Å; M371-K373 HydrophobicContact CB-CG 4.16Å; M371-K373 PolarHBondContact O-N 3.39Å; K373-I376 HydrophobicContact CB-CD1 3.88Å; K373-I376 HydrophobicContact CB-CG1 4.01Å; K373-I376 WeakPolarHBondContact O-CG1 3.21Å
374R93.5Very high91.7Very high106 Ų10635 Ų3540%0.418%0.178SC..SBendtrans-76.5160.8175.5-69.8-178.6171150.1-0.7110.8H133 E134 P135 I376H133-R374 WeakPolarHBondContact O-CD 3.14Å; H133-R374 WeakPolarHBondContact O-CG 3.43Å; H133-R374 PolarHBondContact O-NE 3.41Å; E134-R374 IonicContact OE1-CZ 3.62Å; E134-R374 IonicContact OE1-NE 3.54Å; E134-R374 IonicContact OE1-NH2 3.07Å; E134-R374 PolarHBondContact OE1-NH2 3.15Å; E134-R374 IonicContact OE2-NH2 2.72Å; E134-R374 PolarHBondContact OE2-NH2 3.09Å; P135-R374 HydrophobicContact CG-CG 4.02Å; R374-I376 PolarHBondContact O-N 3.27Å
375Y95.7Very high91.8Very high23 Ų2336.3 Ų36.39%0.0919%0.189CC..SBendtrans60.626.6170.8-50.4-35.4000115.5Y132 H133 H346 W347 S377Y132-Y375 AromaticContact CD1-CD1 3.85Å; Y132-Y375 HydrophobicContact CD1-CD1 3.85Å; Y132-Y375 AromaticContact CE1-CD1 3.64Å; Y132-Y375 HydrophobicContact CE1-CD1 3.64Å; Y132-Y375 HydrophobicContact CE1-CE1 4.45Å; Y132-Y375 HydrophobicContact CE1-CG 4.37Å; Y132-Y375 WeakPolarHBondContact CE2-O 3.39Å; Y132-Y375 WeakPolarHBondContact O-CD1 3.5Å; Y132-Y375 PolarHBondContact O-N 3.07Å; H133-Y375 AromaticContact CE1-CE1 3.98Å; H133-Y375 AromaticContact ND1-CE1 3.49Å; H133-Y375 WeakPolarHBondContact ND1-CE1 3.38Å; H346-Y375 AromaticContact CD2-CD2 3.96Å; H346-Y375 AromaticContact CE1-CD1 3.48Å; H346-Y375 VanDerWaalsContact CE1-CD1 3.48Å; H346-Y375 WeakPolarHBondContact CE1-CD1 3.39Å; H346-Y375 AromaticContact CE1-CD2 3.72Å; H346-Y375 AromaticContact CE1-CE1 3.78Å; H346-Y375 AromaticContact CE1-CE2 4Å; H346-Y375 AromaticContact CE1-CG 3.46Å; H346-Y375 VanDerWaalsContact CE1-CG 3.46Å; H346-Y375 AromaticContact CG-CG 3.89Å; H346-Y375 WeakPolarHBondContact ND1-CB 3.46Å; H346-Y375 AromaticContact ND1-CD1 3.71Å; H346-Y375 AromaticContact ND1-CD2 3.96Å; H346-Y375 AromaticContact ND1-CG 3.44Å; H346-Y375 AromaticContact NE2-CD2 3.76Å; H346-Y375 AromaticContact NE2-CE2 3.88Å; H346-Y375 AromaticContact NE2-CG 3.98Å; W347-Y375 PolarHBondContact N-O 2.9Å; W347-Y375 VanDerWaalsContact O-O 3.11Å; Y375-S377 PolarHBondContact O-N 3.34Å
376I95.3Very high91.8Very high2 Ų236.3 Ų36.31%0.0119%0.189CC..EExtended strand (participates in β ladder)trans-73119.2174.6-58-64.6000110.1Y132 C271 W347 F349 V365 L368 L369 K373 R374Y132-I376 WeakPolarHBondContact CD2-O 3.42Å; C271-I376 HydrophobicContact CB-CG2 4.31Å; C271-I376 WeakPolarHBondContact CB-O 3.46Å; W347-I376 HydrophobicContact CB-CD1 3.86Å; W347-I376 HydrophobicContact CD2-CD1 4.37Å; W347-I376 HydrophobicContact CG-CD1 3.7Å; F349-I376 HydrophobicContact CD2-CG2 4.46Å; F349-I376 HydrophobicContact CE2-CD1 4.04Å; F349-I376 HydrophobicContact CE2-CG2 4.48Å; V365-I376 HydrophobicContact CG1-CG2 4.2Å; L368-I376 HydrophobicContact CB-CD1 4.12Å; L368-I376 HydrophobicContact CB-CG1 4.49Å; L368-I376 HydrophobicContact CD1-CD1 4.33Å; L369-I376 HydrophobicContact CD2-CB 4Å; L369-I376 HydrophobicContact CD2-CG1 4.28Å; L369-I376 HydrophobicContact CD2-CG2 4.16Å; K373-I376 HydrophobicContact CB-CD1 3.88Å; K373-I376 HydrophobicContact CB-CG1 4.01Å; K373-I376 WeakPolarHBondContact O-CG1 3.21Å; R374-I376 PolarHBondContact O-N 3.27Å
377S95.2Very high92Very high0 Ų036 Ų360%018%0.183CC..EExtended strand (participates in β ladder)trans-134.9165.6171.168.20000113.2L272 V274 W347 F349 Y375L272-S377 WeakPolarHBondContact O-CA 3.36Å; L272-S377 WeakPolarHBondContact O-CB 3.42Å; V274-S377 WeakPolarHBondContact CG2-OG 3.14Å; W347-S377 PolarHBondContact O-N 3.37Å; W347-S377 PolarHBondContact O-OG 3.46Å; F349-S377 PolarHBondContact N-O 2.9Å; Y375-S377 PolarHBondContact O-N 3.34Å
378T94.3Very high92.1Very high8 Ų836.6 Ų36.65%0.04920%0.197CC..EExtended strand (participates in β ladder)trans-121.8144.217556.90000111L272 S273 V274 F349 F361 V365 S380L272-T378 PolarHBondContact O-N 3.35Å; S273-T378 CarbonylContact C-O 3.51Å; S273-T378 WeakPolarHBondContact CA-O 3.28Å; S273-T378 PolarHBondContact OG-O 3.27Å; V274-T378 PolarHBondContact N-O 3.01Å; F349-T378 HydrophobicContact CB-CG2 4.42Å; F349-T378 CarbonylContact O-C 3.23Å; F349-T378 WeakPolarHBondContact O-CA 3.48Å; F361-T378 HydrophobicContact CE1-CG2 3.73Å; F361-T378 HydrophobicContact CZ-CG2 3.61Å; V365-T378 HydrophobicContact CG2-CG2 3.88Å; T378-S380 PolarHBondContact O-N 3.23Å
379A92.5Very high92Very high5 Ų539 Ų394%0.04121%0.21CC..EExtended strand (participates in β ladder)trans-75.9118.1172.400000111.1V274 L279 F349 L350 G381 G382V274-A379 CarbonylContact O-C 3.58Å; V274-A379 WeakPolarHBondContact O-CA 3.25Å; L279-A379 HydrophobicContact CD1-CB 3.82Å; F349-A379 PolarHBondContact O-N 3.5Å; L350-A379 HydrophobicContact CD1-CB 3.6Å; A379-G381 PolarHBondContact O-N 3.23Å; A379-G382 PolarHBondContact O-N 3.3Å
380S90.2Very high91.9Very high59 Ų5938.7 Ų38.741%0.41321%0.208SC..THydrogen-bonded Turntrans-61.9121.6-178.5-163.70000111.4S273 V274 P276 T378 G382S273-S380 VanDerWaalsContact OG-CB 3.29Å; S273-S380 WeakPolarHBondContact OG-CB 3.46Å; V274-S380 PolarHBondContact O-N 3.04Å; P276-S380 WeakPolarHBondContact CD-O 3.45Å; P276-S380 WeakPolarHBondContact CG-O 3.27Å; T378-S380 PolarHBondContact O-N 3.23Å; S380-G382 PolarHBondContact O-N 3.42Å
381G88.2Confident91.7Very high41 Ų4139.7 Ų39.742%0.42321%0.212SC..THydrogen-bonded Turntrans755.3-177.800000115.3G353 A379 A385G353-G381 WeakPolarHBondContact CA-O 3.46Å; A379-G381 PolarHBondContact O-N 3.23Å; G381-A385 WeakPolarHBondContact O-CB 3.31Å; G381-A385 PolarHBondContact O-N 3.14Å
382G91.4Very high91.3Very high0 Ų040.9 Ų40.90%024%0.237CC..Hα-helixtrans61.2-159.8171.800000115L350 S351 A379 S380 K384 A385 I386L350-G382 VanDerWaalsContact CD1-C 3.47Å; S351-G382 CarbonylContact O-C 3.5Å; S351-G382 VanDerWaalsContact O-CA 3.26Å; S351-G382 WeakPolarHBondContact O-CA 3.45Å; A379-G382 PolarHBondContact O-N 3.3Å; S380-G382 PolarHBondContact O-N 3.42Å; G382-K384 PolarHBondContact O-N 3.49Å; G382-A385 PolarHBondContact O-N 3.18Å; G382-A385 VanDerWaalsContact O-N 3.12Å; G382-I386 PolarHBondContact O-N 3.39Å
383Y93.5Very high91.1Very high6 Ų641.9 Ų41.92%0.02424%0.241CC..Hα-helixtrans-55.8-37.8178.2178.7-93.4000111.7R299 G307 L350 S351 A385 I386 H387 L398 A408R299-Y383 VanDerWaalsContact CZ-CD2 3.41Å; G307-Y383 WeakPolarHBondContact O-CE2 3.31Å; G307-Y383 PolarHBondContact O-OH 3.04Å; L350-Y383 HydrophobicContact CD2-CD2 4.42Å; S351-Y383 PolarHBondContact O-N 2.96Å; Y383-A385 VanDerWaalsContact C-N 3.32Å; Y383-A385 PolarHBondContact O-N 3.24Å; Y383-I386 PolarHBondContact O-N 3.43Å; Y383-H387 HydrophobicContact CD1-CB 4.44Å; Y383-H387 HydrophobicContact CE1-CB 4.24Å; Y383-H387 AromaticContact CE1-CD2 3.93Å; Y383-H387 VanDerWaalsContact O-CB 3.25Å; Y383-H387 WeakPolarHBondContact O-CB 3.34Å; Y383-H387 PolarHBondContact O-N 3.36Å; Y383-L398 HydrophobicContact CE2-CD1 4.29Å; Y383-L398 HydrophobicContact CE2-CD2 4.42Å; Y383-L398 WeakPolarHBondContact OH-CD1 3.34Å; Y383-A408 HydrophobicContact CE1-CB 4.27Å
384K91.7Very high90.9Very high63 Ų6340.6 Ų40.627%0.27424%0.236SC..Hα-helixtrans-56.4-42.6176.9-177.2170.1-174.5152.40113S352 L354 G382 A388 E411S352-K384 WeakPolarHBondContact O-CB 3.45Å; S352-K384 PolarHBondContact O-N 3.09Å; L354-K384 HydrophobicContact CD2-CD 4.35Å; G382-K384 PolarHBondContact O-N 3.49Å; K384-A388 WeakPolarHBondContact O-CB 3.46Å; K384-A388 PolarHBondContact O-N 3.46Å; K384-E411 IonicContact NZ-OE2 2.78Å; K384-E411 PolarHBondContact NZ-OE2 3.43Å
385A91.9Very high90.5Very high29 Ų2942.4 Ų42.424%0.2425%0.253CS..Hα-helixtrans-72.1-37.5-179.700000112.2P276 G381 G382 Y383 A388 L389P276-A385 HydrophobicContact CG-CB 3.58Å; G381-A385 WeakPolarHBondContact O-CB 3.31Å; G381-A385 PolarHBondContact O-N 3.14Å; G382-A385 PolarHBondContact O-N 3.18Å; G382-A385 VanDerWaalsContact O-N 3.12Å; Y383-A385 VanDerWaalsContact C-N 3.32Å; Y383-A385 PolarHBondContact O-N 3.24Å; A385-A388 PolarHBondContact O-N 3.23Å; A385-L389 WeakPolarHBondContact O-CB 3.4Å; A385-L389 PolarHBondContact O-N 2.83Å; A385-L389 VanDerWaalsContact O-N 3.11Å
386I92.4Very high90.1Very high0 Ų048.2 Ų48.20%028%0.281CS..Hα-helixtrans-64.7-47.2173.5-66.3175.2000110.5P276 L279 I283 I309 L350 G382 Y383 A388 L389 L390P276-I386 HydrophobicContact CB-CG1 3.97Å; P276-I386 HydrophobicContact CG-CG1 4.43Å; L279-I386 HydrophobicContact CD1-CD1 4.06Å; I283-I386 HydrophobicContact CD1-CD1 4.29Å; I283-I386 HydrophobicContact CD1-CG1 4.5Å; I283-I386 HydrophobicContact CD1-CG2 3.55Å; I309-I386 HydrophobicContact CD1-CD1 3.56Å; I309-I386 HydrophobicContact CD1-CG2 4.25Å; L350-I386 HydrophobicContact CD1-CD1 3.61Å; G382-I386 PolarHBondContact O-N 3.39Å; Y383-I386 PolarHBondContact O-N 3.43Å; I386-A388 VanDerWaalsContact C-N 3.31Å; I386-A388 PolarHBondContact O-N 3.14Å; I386-L389 WeakPolarHBondContact O-CA 3.42Å; I386-L389 WeakPolarHBondContact O-CB 3.43Å; I386-L389 PolarHBondContact O-N 3.06Å; I386-L390 HydrophobicContact CG2-CD1 4.06Å; I386-L390 HydrophobicContact CG2-CG 4.42Å; I386-L390 WeakPolarHBondContact O-CG 3.38Å; I386-L390 PolarHBondContact O-N 3.02Å
387H93Very high89.7Confident19 Ų1950.3 Ų50.39%0.08829%0.29CS..Hα-helixtrans-57-43.7175.7-177.2-67.6000111.7Y383 L389 L390 K391 L394 H401 A408 C409Y383-H387 HydrophobicContact CD1-CB 4.44Å; Y383-H387 HydrophobicContact CE1-CB 4.24Å; Y383-H387 AromaticContact CE1-CD2 3.93Å; Y383-H387 VanDerWaalsContact O-CB 3.25Å; Y383-H387 WeakPolarHBondContact O-CB 3.34Å; Y383-H387 PolarHBondContact O-N 3.36Å; H387-L389 PolarHBondContact O-N 2.69Å; H387-L390 PolarHBondContact O-N 2.71Å; H387-K391 PolarHBondContact O-N 3.21Å; H387-L394 HydrophobicContact CB-CD2 4.41Å; H387-L394 VanDerWaalsContact CE1-CD1 3.43Å; H387-L394 WeakPolarHBondContact CE1-CD1 3.28Å; H387-L394 WeakPolarHBondContact NE2-CD1 3.31Å; H387-H401 AromaticContact NE2-NE2 3.66Å; H387-A408 HydrophobicContact CB-CB 4.29Å; H387-C409 PolarHBondContact NE2-SG 2.9Å
388A91.1Very high89.5Confident61 Ų6150.7 Ų50.750%0.50429%0.292SS..Hα-helixtrans-64.3-28.7176.500000113.2K384 A385 I386 K391K384-A388 WeakPolarHBondContact O-CB 3.46Å; K384-A388 PolarHBondContact O-N 3.46Å; A385-A388 PolarHBondContact O-N 3.23Å; I386-A388 VanDerWaalsContact C-N 3.31Å; I386-A388 PolarHBondContact O-N 3.14Å; A388-K391 WeakPolarHBondContact O-CG 3.4Å
389L90.3Very high89.4Confident54 Ų5453.6 Ų53.628%0.28331%0.305SS..Hα-helixtrans-77.7-40.3179.7-166.468.9000112.2P276 Q277 L280 A385 I386 H387 K391P276-L389 HydrophobicContact CB-CD2 3.86Å; Q277-L389 HydrophobicContact CG-CD1 4.27Å; Q277-L389 HydrophobicContact CG-CD2 4.3Å; L280-L389 HydrophobicContact CD1-CD1 4.46Å; L280-L389 HydrophobicContact CD1-CD2 3.4Å; L280-L389 HydrophobicContact CD1-CG 3.86Å; L280-L389 HydrophobicContact CD2-CD2 3.57Å; L280-L389 HydrophobicContact CD2-CG 4.06Å; L280-L389 HydrophobicContact CG-CD2 3.33Å; L280-L389 HydrophobicContact CG-CG 4.15Å; A385-L389 WeakPolarHBondContact O-CB 3.4Å; A385-L389 PolarHBondContact O-N 2.83Å; A385-L389 VanDerWaalsContact O-N 3.11Å; I386-L389 WeakPolarHBondContact O-CA 3.42Å; I386-L389 WeakPolarHBondContact O-CB 3.43Å; I386-L389 PolarHBondContact O-N 3.06Å; H387-L389 PolarHBondContact O-N 2.69Å; L389-K391 VanDerWaalsContact C-N 3.33Å; L389-K391 PolarHBondContact O-N 3.05Å
390L89.2Confident89.3Confident10 Ų1056.6 Ų56.65%0.05233%0.33CS..Hα-helixtrans-69.4-28.4179.5-67.2175000113.2L280 I283 I386 H387 G392 H393 L394 E397 L398L280-L390 HydrophobicContact CD2-CD2 3.91Å; I283-L390 HydrophobicContact CG2-CD1 4.36Å; I283-L390 HydrophobicContact CG2-CD2 4.23Å; I386-L390 HydrophobicContact CG2-CD1 4.06Å; I386-L390 HydrophobicContact CG2-CG 4.42Å; I386-L390 WeakPolarHBondContact O-CG 3.38Å; I386-L390 PolarHBondContact O-N 3.02Å; H387-L390 PolarHBondContact O-N 2.71Å; L390-G392 PolarHBondContact O-N 3.41Å; L390-H393 PolarHBondContact O-N 3.47Å; L390-H393 PolarHBondContact O-ND1 2.86Å; L390-L394 HydrophobicContact CB-CD2 3.81Å; L390-L394 HydrophobicContact CD1-CD2 4.3Å; L390-E397 HydrophobicContact CD1-CB 4.1Å; L390-E397 HydrophobicContact CD2-CB 4.01Å; L390-E397 HydrophobicContact CD2-CG 4.1Å; L390-L398 HydrophobicContact CD1-CD1 4.19Å; L390-L398 HydrophobicContact CD1-CD2 3.77Å; L390-L398 HydrophobicContact CD1-CG 3.84Å
391K84.3Confident89.4Confident165 Ų16555.3 Ų55.372%0.71732%0.318SS*.THydrogen-bonded Turntrans50.8-99.3175.7-62.4-178.8-179.5176.10113.6H387 A388 L389 L394H387-K391 PolarHBondContact O-N 3.21Å; A388-K391 WeakPolarHBondContact O-CG 3.4Å; L389-K391 VanDerWaalsContact C-N 3.33Å; L389-K391 PolarHBondContact O-N 3.05Å; K391-L394 WeakPolarHBondContact O-CD1 3.44Å; K391-L394 WeakPolarHBondContact O-CG 3.09Å
392G81.8Confident89.7Confident73 Ų7356.1 Ų56.175%0.75331%0.313SS*.THydrogen-bonded Turntrans-85.2-13.6-175.600000114.4L390L390-G392 PolarHBondContact O-N 3.41Å
393H85.9Confident89.6Confident108 Ų10859.4 Ų59.450%0.534%0.336SS..  trans-9718.2-173.8-50.495.1000112.6L390 I395 E396 E397L390-H393 PolarHBondContact O-N 3.47Å; L390-H393 PolarHBondContact O-ND1 2.86Å; H393-I395 VanDerWaalsContact C-N 3.32Å; H393-I395 PolarHBondContact O-N 3.4Å; H393-E396 IonicContact CD2-OE2 3.88Å; H393-E396 PolarHBondContact O-N 3.29Å; H393-E396 VanDerWaalsContact O-N 3.17Å; H393-E397 HydrophobicContact CB-CG 3.98Å; H393-E397 WeakPolarHBondContact O-CB 3.42Å; H393-E397 WeakPolarHBondContact O-CG 3.44Å; H393-E397 PolarHBondContact O-N 3.47Å
394L87.7Confident89.5Confident20 Ų2069 Ų6911%0.10537%0.372CS..Hα-helixtrans-59.5-39.5-174.4-66.1166.3000113.2H387 L390 K391 E396 L398H387-L394 HydrophobicContact CB-CD2 4.41Å; H387-L394 VanDerWaalsContact CE1-CD1 3.43Å; H387-L394 WeakPolarHBondContact CE1-CD1 3.28Å; H387-L394 WeakPolarHBondContact NE2-CD1 3.31Å; L390-L394 HydrophobicContact CB-CD2 3.81Å; L390-L394 HydrophobicContact CD1-CD2 4.3Å; K391-L394 WeakPolarHBondContact O-CD1 3.44Å; K391-L394 WeakPolarHBondContact O-CG 3.09Å; L394-E396 VanDerWaalsContact C-N 3.31Å; L394-L398 HydrophobicContact CB-CD1 4.43Å; L394-L398 HydrophobicContact CD2-CD1 3.69Å; L394-L398 VanDerWaalsContact O-CB 3.25Å; L394-L398 WeakPolarHBondContact O-CB 3.35Å; L394-L398 PolarHBondContact O-N 2.93Å
395I85.3Confident89.5Confident144 Ų14471.7 Ų71.774%0.73839%0.385SS*.Hα-helixtrans-72.1-29.6-178.5-63.1171.1000111.4H393H393-I395 VanDerWaalsContact C-N 3.32Å; H393-I395 PolarHBondContact O-N 3.4Å
396E86Confident89.5Confident146 Ų14670.5 Ų70.568%0.68238%0.375SS*.Hα-helixtrans-80.9-37.6-178.1-64.7175.5174.700111.1H393 L394H393-E396 IonicContact CD2-OE2 3.88Å; H393-E396 PolarHBondContact O-N 3.29Å; H393-E396 VanDerWaalsContact O-N 3.17Å; L394-E396 VanDerWaalsContact C-N 3.31Å
397E87.4Confident89.3Confident46 Ų4674.1 Ų74.122%0.21539%0.394CS..Hα-helixtrans-102-18.3-168.8-57.7-59.7159.400114.4I283 V284 L390 H393I283-E397 HydrophobicContact CG2-CB 4.2Å; V284-E397 WeakPolarHBondContact CA-OE2 3.44Å; L390-E397 HydrophobicContact CD1-CB 4.1Å; L390-E397 HydrophobicContact CD2-CB 4.01Å; L390-E397 HydrophobicContact CD2-CG 4.1Å; H393-E397 HydrophobicContact CB-CG 3.98Å; H393-E397 WeakPolarHBondContact O-CB 3.42Å; H393-E397 WeakPolarHBondContact O-CG 3.44Å; H393-E397 PolarHBondContact O-N 3.47Å
398L91.9Very high89.1Confident7 Ų773.9 Ų73.94%0.03740%0.395CS..EExtended strand (participates in β ladder)trans-110.1131.3178.4-58.2175.2000111.3H308 I309 Y383 L390 L394 H401H308-L398 CarbonylContact O-C 3.2Å; H308-L398 WeakPolarHBondContact O-CA 3.41Å; I309-L398 HydrophobicContact CG1-CD2 4.11Å; Y383-L398 HydrophobicContact CE2-CD1 4.29Å; Y383-L398 HydrophobicContact CE2-CD2 4.42Å; Y383-L398 WeakPolarHBondContact OH-CD1 3.34Å; L390-L398 HydrophobicContact CD1-CD1 4.19Å; L390-L398 HydrophobicContact CD1-CD2 3.77Å; L390-L398 HydrophobicContact CD1-CG 3.84Å; L394-L398 HydrophobicContact CB-CD1 4.43Å; L394-L398 HydrophobicContact CD2-CD1 3.69Å; L394-L398 VanDerWaalsContact O-CB 3.25Å; L394-L398 WeakPolarHBondContact O-CB 3.35Å; L394-L398 PolarHBondContact O-N 2.93Å; L398-H401 HydrophobicContact CB-CB 3.91Å
399E91.4Very high89.1Confident69 Ų6972 Ų7232%0.32238%0.378SS..EExtended strand (participates in β ladder)trans-74.8138.5176-72.7-170.4161.400110.9G307 H308 R310 H401G307-E399 VanDerWaalsContact CA-O 3.31Å; G307-E399 WeakPolarHBondContact CA-O 3.34Å; H308-E399 PolarHBondContact N-O 2.96Å; H308-E399 IonicContact NE2-OE2 2.97Å; H308-E399 PolarHBondContact O-N 2.69Å; R310-E399 HydrophobicContact CB-CG 3.95Å; R310-E399 HydrophobicContact CG-CG 4.32Å; R310-E399 WeakPolarHBondContact CG-OE1 3.14Å; R310-E399 IonicContact CZ-OE1 3.82Å; R310-E399 IonicContact NE-OE1 3.36Å; R310-E399 PolarHBondContact NE-OE1 3Å; R310-E399 IonicContact NH2-OE1 3.01Å; E399-H401 PolarHBondContact O-N 2.81Å; E399-H401 VanDerWaalsContact O-N 3.11Å
400A90Very high89.1Confident69 Ų6971.8 Ų71.857%0.5738%0.379SS*.THydrogen-bonded Turntrans56.422.3178.500000115.5S306 D402S306-A400 CarbonylContact C-O 3.23Å; A400-D402 PolarHBondContact O-N 3.48Å; A400-D402 VanDerWaalsContact O-N 3.15Å
401H93.7Very high88.9Confident31 Ų3174.2 Ų74.214%0.14439%0.39CS..  trans-65.7116-176.1-177.4-86.1000112.9S306 H387 L398 E399 C406 C409S306-H401 WeakPolarHBondContact O-CA 3.44Å; H387-H401 AromaticContact NE2-NE2 3.66Å; L398-H401 HydrophobicContact CB-CB 3.91Å; E399-H401 PolarHBondContact O-N 2.81Å; E399-H401 VanDerWaalsContact O-N 3.11Å; H401-C406 PolarHBondContact NE2-SG 3.39Å; H401-C409 VanDerWaalsContact CE1-SG 3.56Å
402D92.9Very high88.9Confident59 Ų5968.8 Ų68.832%0.31638%0.376SS..  trans-114.9111.1171.4-175.5-10.3000110S306 A400 R404 H405 C406S306-D402 PolarHBondContact O-N 3.31Å; A400-D402 PolarHBondContact O-N 3.48Å; A400-D402 VanDerWaalsContact O-N 3.15Å; D402-R404 PolarHBondContact O-N 2.86Å; D402-R404 VanDerWaalsContact O-N 3.07Å; D402-R404 WeakPolarHBondContact OD1-CB 3.36Å; D402-R404 PolarHBondContact OD1-N 3.06Å; D402-H405 HydrophobicContact CB-CB 4.49Å; D402-H405 PolarHBondContact O-N 3.35Å; D402-H405 VanDerWaalsContact O-N 3.08Å; D402-H405 IonicContact OD1-ND1 4Å; D402-H405 IonicContact OD2-CE1 3.42Å; D402-H405 PolarHBondContact OD2-CE1 2.92Å; D402-H405 IonicContact OD2-CG 3.88Å; D402-H405 IonicContact OD2-ND1 2.71Å; D402-H405 PolarHBondContact OD2-ND1 3.28Å; D402-C406 WeakPolarHBondContact O-CB 3.25Å; D402-C406 PolarHBondContact O-N 2.91Å
403S91Very high89Confident69 Ų6968 Ų6848%0.48336%0.362SS..THydrogen-bonded Turntrans-61.6-18.5-178.558.40000114.2C409S403-C409 VanDerWaalsContact O-CB 3.3Å; S403-C409 WeakPolarHBondContact O-CB 3.4Å
404R90.4Very high88.7Confident207 Ų20770 Ų7078%0.78137%0.369SS*.THydrogen-bonded Turntrans-81.3-28.2177.5-59.7178.1-176171.33112.8D402 V410D402-R404 PolarHBondContact O-N 2.86Å; D402-R404 VanDerWaalsContact O-N 3.07Å; D402-R404 WeakPolarHBondContact OD1-CB 3.36Å; D402-R404 PolarHBondContact OD1-N 3.06Å; R404-V410 WeakPolarHBondContact O-CG2 3.42Å
405H91.9Very high87.9Confident120 Ų12078.2 Ų78.256%0.55640%0.399SS*.THydrogen-bonded Turntrans-107.7-18.7-177.8-61101.5000112.4S306 D402 L407S306-H405 WeakPolarHBondContact OG-CB 3.49Å; D402-H405 HydrophobicContact CB-CB 4.49Å; D402-H405 PolarHBondContact O-N 3.35Å; D402-H405 VanDerWaalsContact O-N 3.08Å; D402-H405 IonicContact OD1-ND1 4Å; D402-H405 IonicContact OD2-CE1 3.42Å; D402-H405 PolarHBondContact OD2-CE1 2.92Å; D402-H405 IonicContact OD2-CG 3.88Å; D402-H405 IonicContact OD2-ND1 2.71Å; D402-H405 PolarHBondContact OD2-ND1 3.28Å; H405-L407 PolarHBondContact O-N 2.97Å
406C91.6Very high86.7Confident4 Ų476.5 Ų76.53%0.02740%0.399CS..  trans-67.8112.7175.3176.90000111.2H401 D402 A408 C409 V410H401-C406 PolarHBondContact NE2-SG 3.39Å; D402-C406 WeakPolarHBondContact O-CB 3.25Å; D402-C406 PolarHBondContact O-N 2.91Å; C406-A408 VanDerWaalsContact C-N 3.25Å; C406-A408 PolarHBondContact O-N 2.89Å; C406-C409 HydrophobicContact CB-CB 4.05Å; C406-C409 WeakPolarHBondContact O-CB 3.21Å; C406-C409 PolarHBondContact O-N 3.1Å; C406-C409 VanDerWaalsContact O-N 3.07Å; C406-V410 WeakPolarHBondContact O-CG2 3.47Å; C406-V410 PolarHBondContact O-N 3.27Å
407L88.7Confident84.8Confident75 Ų7574.5 Ų74.539%0.39339%0.392SS..Hα-helixtrans-55.9-37.9-179.4-66.1-178.3000113.1Q303 H405 V410 E411Q303-L407 VanDerWaalsContact CD-CD1 3.47Å; Q303-L407 HydrophobicContact CG-CD1 3.74Å; Q303-L407 HydrophobicContact CG-CG 4.32Å; Q303-L407 VanDerWaalsContact NE2-CD1 3.26Å; H405-L407 PolarHBondContact O-N 2.97Å; L407-V410 PolarHBondContact O-N 3.06Å; L407-E411 WeakPolarHBondContact O-CB 2.92Å; L407-E411 WeakPolarHBondContact O-CG 3.47Å; L407-E411 PolarHBondContact O-N 3.08Å
408A89.2Confident82.5Confident15 Ų1576.6 Ų76.612%0.12441%0.409CS..Hα-helixtrans-65.1-40178.300000112.1Y383 H387 C406 A412Y383-A408 HydrophobicContact CE1-CB 4.27Å; H387-A408 HydrophobicContact CB-CB 4.29Å; C406-A408 VanDerWaalsContact C-N 3.25Å; C406-A408 PolarHBondContact O-N 2.89Å; A408-A412 WeakPolarHBondContact O-CB 3.48Å; A408-A412 PolarHBondContact O-N 2.97Å
409C91.1Very high80.1Confident22 Ų2286.2 Ų86.215%0.14945%0.454CS..Hα-helixtrans-65.7-46.9173.2-81.30000111.7H387 H401 S403 C406 E411 A412 A413H387-C409 PolarHBondContact NE2-SG 2.9Å; H401-C409 VanDerWaalsContact CE1-SG 3.56Å; S403-C409 VanDerWaalsContact O-CB 3.3Å; S403-C409 WeakPolarHBondContact O-CB 3.4Å; C406-C409 HydrophobicContact CB-CB 4.05Å; C406-C409 WeakPolarHBondContact O-CB 3.21Å; C406-C409 PolarHBondContact O-N 3.1Å; C406-C409 VanDerWaalsContact O-N 3.07Å; C409-E411 PolarHBondContact O-N 3.06Å; C409-A412 PolarHBondContact O-N 3.24Å; C409-A413 WeakPolarHBondContact O-CB 3.47Å; C409-A413 PolarHBondContact O-N 2.89Å
410V89.8Confident77.7Confident48 Ų4887.5 Ų87.529%0.29147%0.471SS..Hα-helixtrans-62.8-42.5-179.6174.10000111.2R404 C406 L407 A413 K414R404-V410 WeakPolarHBondContact O-CG2 3.42Å; C406-V410 WeakPolarHBondContact O-CG2 3.47Å; C406-V410 PolarHBondContact O-N 3.27Å; L407-V410 PolarHBondContact O-N 3.06Å; V410-A413 PolarHBondContact O-N 3.24Å; V410-K414 WeakPolarHBondContact O-CG 3.28Å; V410-K414 PolarHBondContact O-N 3.44Å; V410-K414 VanDerWaalsContact O-N 3.11Å
411E85.5Confident75.3Confident61 Ų6191 Ų9129%0.28548%0.479SS..Hα-helixtrans-63.5-43.3174.1-79.3-169.3171.500112.5L354 K384 L407 C409 A413 K414 R415L354-E411 WeakPolarHBondContact CD2-OE1 3Å; K384-E411 IonicContact NZ-OE2 2.78Å; K384-E411 PolarHBondContact NZ-OE2 3.43Å; L407-E411 WeakPolarHBondContact O-CB 2.92Å; L407-E411 WeakPolarHBondContact O-CG 3.47Å; L407-E411 PolarHBondContact O-N 3.08Å; C409-E411 PolarHBondContact O-N 3.06Å; E411-A413 VanDerWaalsContact C-N 3.34Å; E411-A413 PolarHBondContact O-N 3.26Å; E411-K414 PolarHBondContact O-N 2.77Å; E411-R415 PolarHBondContact O-N 3.21Å
412A83.7Confident72.7Confident51 Ų5197.5 Ų97.542%0.42151%0.513SS..Hα-helixtrans-63-41.6177.800000111.5A408 C409 K414 R415 C416A408-A412 WeakPolarHBondContact O-CB 3.48Å; A408-A412 PolarHBondContact O-N 2.97Å; C409-A412 PolarHBondContact O-N 3.24Å; A412-K414 PolarHBondContact O-N 3.39Å; A412-R415 PolarHBondContact O-N 2.88Å; A412-C416 PolarHBondContact O-N 3.3Å
413A83.9Confident69.8Low57 Ų57103.3 Ų103.347%0.47154%0.538SS..Hα-helixtrans-63.2-41177.500000112.5C409 V410 E411 R415 C416C409-A413 WeakPolarHBondContact O-CB 3.47Å; C409-A413 PolarHBondContact O-N 2.89Å; V410-A413 PolarHBondContact O-N 3.24Å; E411-A413 VanDerWaalsContact C-N 3.34Å; E411-A413 PolarHBondContact O-N 3.26Å; A413-R415 PolarHBondContact O-N 3.02Å; A413-C416 PolarHBondContact O-N 2.93Å; A413-C416 VanDerWaalsContact O-N 3.11Å
414K80.7Confident66.9Low149 Ų149108.6 Ų108.665%0.64856%0.555SS**Hα-helixtrans-59.6-33.8176-74.5175.6-178.1178.70112.7V410 E411 A412 C416V410-K414 WeakPolarHBondContact O-CG 3.28Å; V410-K414 PolarHBondContact O-N 3.44Å; V410-K414 VanDerWaalsContact O-N 3.11Å; E411-K414 PolarHBondContact O-N 2.77Å; A412-K414 PolarHBondContact O-N 3.39Å; K414-C416 VanDerWaalsContact C-N 3.31Å; K414-C416 PolarHBondContact O-N 3.05Å
415R69.7Low64Low194 Ų194108 Ų10873%0.73256%0.564SS**Hα-helixtrans-75.1-17.8178.5-67.1178.1-177.9-172.9-3.1113.7E411 A412 A413E411-R415 PolarHBondContact O-N 3.21Å; A412-R415 PolarHBondContact O-N 2.88Å; A413-R415 PolarHBondContact O-N 3.02Å
416C59.6Low61Low108 Ų108111 Ų11173%0.7358%0.578SS**THydrogen-bonded Turntrans-91.3-6.9179.9-69.70000113.9A412 A413 K414A412-C416 PolarHBondContact O-N 3.3Å; A413-C416 PolarHBondContact O-N 2.93Å; A413-C416 VanDerWaalsContact O-N 3.11Å; K414-C416 VanDerWaalsContact C-N 3.31Å; K414-C416 PolarHBondContact O-N 3.05Å
417I46.7Very low58.1Low104 Ų104116.2 Ų116.253%0.53361%0.612SS.*SBendtrans-90.7118.2175.1-55171.1000107.4E419I417-E419 PolarHBondContact O-N 3.29Å
418P38.5Very low55.1Low89 Ų89118.1 Ų118.158%0.57863%0.631SS**  trans-58.9139.5172-15.728.4000109.1S420P418-S420 PolarHBondContact O-N 2.82Å
419E42.9Very low52.3Low210 Ų210123.3 Ų123.398%0.98166%0.664SS**THydrogen-bonded Turntrans-61.620.2-177.8-124159.2-173.600115.1I417I417-E419 PolarHBondContact O-N 3.29Å
420S40.9Very low49.1Very low96 Ų96132.6 Ų132.667%0.67170%0.695SS**THydrogen-bonded Turntrans-115.116.7-173.867.20000114.9P418P418-S420 PolarHBondContact O-N 2.82Å
421L39.2Very low46.1Very low141 Ų141140.8 Ų140.874%0.73873%0.728SS**  trans-135.821.7-178.9-77.7172.3000115.5
422I38.3Very low43.2Very low168 Ų168146.1 Ų146.186%0.86275%0.753SS**  trans-109.779.1168.1-52.6177.5000108.4
423E31.8Very low40.6Very low181 Ų181151.2 Ų151.285%0.84677%0.772SS**  trans-115.5131.8161.7-108178.7175.300108.7
424E30.3Very low38Very low180 Ų180155.9 Ų155.984%0.84179%0.788SS**  trans81.380.8165.1-54.3-165.716500119.5
425M29.8Very low35.4Very low195 Ų195156 Ų15696%0.96180%0.796SS**  -156.3108.6121.7-110.1160.267.300111
426Q30Very low33.3Very low184 Ų184152 Ų15286%0.8680%0.798SS**  trans-80.5175.1169.5-82.2-156.61.600111.7
427P29.5Very low31.9Very low113 Ų113151.1 Ų151.173%0.73480%0.798SS**  cis-133.3151-36.832.8-16.1000112
428S26.9Very low30.7Very low115 Ų115151.6 Ų151.680%0.80481%0.811SS**  trans-121.8142.8160.352.70000110.3
429P28.3Very low30Very low123 Ų123151.6 Ų151.680%0.79982%0.818SS**  trans-80.9134.1-160.931.5-33000112.8
430R25.2Very low29.2Very low217 Ų217146.8 Ų146.882%0.81981%0.808SS**  trans51.196.2145-68.7-177.1171.3167.6-1.5117.8
431F26Very low28.6Very low221 Ų221149.8 Ų149.897%0.96982%0.815SS**  -135.596.6125.6-113.4-88.3000108.3
432E24.3Very low28.1Very low173 Ų173150.3 Ų150.381%0.80881%0.811SS**  trans-89.2110.2168.4-73.2174.3166.500107.9
433L29.4Very low27.5Very low157 Ų157149 Ų14982%0.82281%0.806SS**  trans-167.6133132.3-144.582.6000111
434L30.6Very low27.6Very low155 Ų155150.8 Ų150.881%0.81281%0.805SS**  trans90.182.7163.4-74.9148.2000117.9
435D25.4Very low27.8Very low151 Ų151145.9 Ų145.981%0.80779%0.79SS**  trans-82.9142.2145.5-95.4-33.9000111.9
436S26.3Very low28.1Very low112 Ų112139.7 Ų139.778%0.78377%0.77SS**  trans57103.6145.571.20000119.9
437A28.4Very low28.5Very low89 Ų89134 Ų13474%0.73675%0.751SS**  -159.2111.3129.600000110.5
438S23.2Very low29Very low114 Ų114132.5 Ų132.580%0.79774%0.739SS**  46.4121.7122.7-370000119.9
439A23.4Very low29.8Very low89 Ų89129.6 Ų129.674%0.73672%0.717SS**SBendtrans59.8122.2138.100000118.4
440S26.3Very low30.2Very low108 Ų108133.6 Ų133.676%0.75572%0.716SS**  trans68.3127.3170.9710000115.1
441I27.8Very low30.7Very low160 Ų160133.4 Ų133.482%0.82172%0.715SS**  17395.3128.7-81.1149.4000107
442F28.6Very low31.3Very low152 Ų152125.6 Ų125.667%0.66768%0.683SS**  trans-67.6133.7153.1-77-93000108.8
443N26.2Very low31.9Very low141 Ų141124.1 Ų124.175%0.75467%0.674SS**  trans142.4118.4148.4-84.3-42.8000111.3
444R33.2Very low32.2Very low218 Ų218124.9 Ų124.982%0.82367%0.671SS**  164.490.5124-88.4161.7176.2-163.71.2113.1
445S35.5Very low32.4Very low76 Ų76121 Ų12153%0.53166%0.661SS.*SBendtrans-105.6-7.9152.244.20000112.7S447S445-S447 VanDerWaalsContact C-N 3.34Å; S445-S447 PolarHBondContact O-N 3.19Å
446A34.9Very low33Very low65 Ų65118.5 Ų118.554%0.53765%0.648SS.*Hα-helixtrans-74.2-14179.500000115.3
447S39.4Very low33.6Very low66 Ų66117.2 Ų117.246%0.46264%0.639SS.*Hα-helixtrans-81-26.6-177.865.80000113.4S445S445-S447 VanDerWaalsContact C-N 3.34Å; S445-S447 PolarHBondContact O-N 3.19Å
448V40.5Very low33.5Very low80 Ų80122.2 Ų122.249%0.48564%0.643SS.*Hα-helixtrans-78.4-40.2-179.1-176.10000110.8R450 R451 L452V448-R450 VanDerWaalsContact C-N 3.3Å; V448-R450 PolarHBondContact O-N 2.78Å; V448-R451 PolarHBondContact O-N 2.93Å; V448-R451 VanDerWaalsContact O-N 3.14Å; V448-L452 HydrophobicContact CG1-CD1 4.25Å; V448-L452 PolarHBondContact O-N 3.45Å
449V42.1Very low33.9Very low55 Ų55122 Ų12233%0.33364%0.642SS.*Hα-helixtrans-61.8-35.1177.1-1790000112.1P268 R451 K453P268-V449 HydrophobicContact CB-CG2 4.4Å; V449-R451 PolarHBondContact O-N 2.84Å; V449-K453 PolarHBondContact O-N 3.06Å
450R36.7Very low34.3Very low207 Ų207126.5 Ų126.578%0.78165%0.648SS**Hα-helixtrans-72.4-25.7178-120.8-177.6-176.697.1-1.7113.6V448V448-R450 VanDerWaalsContact C-N 3.3Å; V448-R450 PolarHBondContact O-N 2.78Å
451R37.5Very low34.3Very low212 Ų212126.9 Ų126.980%0.865%0.648SS**Hα-helixtrans-81.7-33.9176.2-79.9-177.1175.6170.5-0.8112.3V448 V449 K454V448-R451 PolarHBondContact O-N 2.93Å; V448-R451 VanDerWaalsContact O-N 3.14Å; V449-R451 PolarHBondContact O-N 2.84Å; R451-K454 PolarHBondContact O-N 2.9Å
452L37.9Very low34.5Very low57 Ų57126 Ų12630%0.29865%0.65SS.*Hα-helixtrans-71.2-34.7175.9-78.1162.3000113.2V448 K454 A455 L456V448-L452 HydrophobicContact CG1-CD1 4.25Å; V448-L452 PolarHBondContact O-N 3.45Å; L452-K454 PolarHBondContact O-N 2.9Å; L452-K454 VanDerWaalsContact O-N 3.16Å; L452-A455 PolarHBondContact O-N 2.88Å; L452-L456 PolarHBondContact O-N 3.43Å
453K37.5Very low34.4Very low143 Ų143128.5 Ų128.562%0.62266%0.66SS**THydrogen-bonded Turntrans-59.1-25.1172-101.4-172.9175.3-175.60114V449 S457V449-K453 PolarHBondContact O-N 3.06Å; K453-S457 PolarHBondContact O-OG 3.26Å
454K34.7Very low34.6Very low172 Ų172125.2 Ų125.275%0.74866%0.66SS**THydrogen-bonded Turntrans-86.7-16.1175.4-100.5-178.7176.7179.90114R451 L452R451-K454 PolarHBondContact O-N 2.9Å; L452-K454 PolarHBondContact O-N 2.9Å; L452-K454 VanDerWaalsContact O-N 3.16Å
455A35.5Very low34.5Very low74 Ų74120.3 Ų120.361%0.61266%0.659SS**THydrogen-bonded Turntrans-88.6-25.7176.900000112.1L452L452-A455 PolarHBondContact O-N 2.88Å
456L37.5Very low34.1Very low99 Ų99126.6 Ų126.652%0.51867%0.673SS.*THydrogen-bonded Turntrans-82.8-13.4178.4-73160.8000114.3K370 L452K370-L456 HydrophobicContact CD-CD2 3.73Å; K370-L456 HydrophobicContact CG-CD2 4.36Å; L452-L456 PolarHBondContact O-N 3.43Å
457S38.6Very low33.8Very low85 Ų85135.1 Ų135.159%0.59469%0.691SS**THydrogen-bonded Turntrans-96.222.8-176.555.20000115.1K453K453-S457 PolarHBondContact O-OG 3.26Å
458K27.3Very low33.3Very low193 Ų193139.8 Ų139.884%0.83971%0.705SS**  trans-115.977.5173.2-75.6-174.9178.7179.40111.5
459S31.4Very low32.9Very low111 Ų111143 Ų14378%0.77672%0.724SS**  trans-115.3126153.343.40000108.2
460Q31.4Very low32.5Very low182 Ų182144.8 Ų144.885%0.8574%0.739SS**  trans-69.6146.2177.2-74-179.8-33.600110.6V462Q460-V462 PolarHBondContact O-N 3.42Å
461P26.5Very low32.2Very low116 Ų116141.1 Ų141.175%0.75374%0.742SS**  trans-77.9116.317531.1-29.7000109.4K463P461-K463 PolarHBondContact O-N 3.42Å
462V31.8Very low31.8Very low143 Ų143135.8 Ų135.887%0.86774%0.738SS**  trans-78.6105.3167.2-178.50000107.9Q460 G464Q460-V462 PolarHBondContact O-N 3.42Å; V462-G464 PolarHBondContact O-N 2.9Å
463K26Very low31.6Very low203 Ų203145.4 Ų145.488%0.88377%0.77SS**  trans-70.6118.7167.2-72.6-178.9175.2179.50109P461P461-K463 PolarHBondContact O-N 3.42Å
464G31.6Very low31.3Very low73 Ų73149.8 Ų149.875%0.75378%0.783SS**  trans-14982.3177.300000112.8V462V462-G464 PolarHBondContact O-N 2.9Å
465S30.8Very low31.3Very low114 Ų114151 Ų15180%0.79779%0.791SS**  trans10.3119.9161.5-164.70000120.7
466Y26.5Very low31.1Very low208 Ų208151.2 Ų151.282%0.81680%0.8SS**  trans-33.3135154.3-62.1-90.1000115.2
467R29.4Very low30.9Very low245 Ų245156.5 Ų156.593%0.92582%0.819SS**  trans-144.8107.4151.1-144.1174.2-171.8170.42.1110.6
468H28.8Very low31Very low163 Ų163157.8 Ų157.876%0.75583%0.826SS**  trans-62.2143.2172-65.9-92000111.5
469V32Very low31.2Very low147 Ų147160.2 Ų160.289%0.89183%0.831SS**  trans-123.3122.6155.31800000108.1
470S33.5Very low31.1Very low93 Ų93166.6 Ų166.665%0.6584%0.838SS**  trans-74.6155.3-170-63.30000114.4S472S470-S472 PolarHBondContact O-N 3Å
471P30.2Very low31Very low130 Ų130161.3 Ų161.384%0.84483%0.833SS**  trans-91.195.9178.634.7-29.1000110.9
472S28.3Very low31.3Very low101 Ų101162 Ų16271%0.70684%0.835SS**  trans-167.380.6171.346.60000114.5S470S470-S472 PolarHBondContact O-N 3Å
473R33.8Very low31.3Very low258 Ų258162.1 Ų162.197%0.97484%0.836SS**  trans-148.2109.2142.1-72.3-157.2178.2-153.1-1.2111.2
474R31.3Very low31.8Very low235 Ų235155.8 Ų155.889%0.88782%0.818SS**  trans-78.9175.8167.1-77.1-179.5173.5178.6-2.1111.1
475H34.5Very low32.4Very low198 Ų198157 Ų15792%0.91781%0.81SS**  trans114.6120.4165.3-6283.8000110.7
476G33Very low32.4Very low79 Ų79156.5 Ų156.581%0.81479%0.794SS**  cis-164.4-170.413.800000112.7
477K31.8Very low32.7Very low210 Ų210150.6 Ų150.691%0.91378%0.783SS**  trans-79.5169.3-150.8-83.9178.8179.9-179.90117.8
478P40.9Very low33Very low112 Ų112147.6 Ų147.673%0.72778%0.783SS**  trans-93.4157.1-163.737.3-32000113.8
479Y32.5Very low33.1Very low243 Ų243145.7 Ų145.795%0.95378%0.779SS**  trans-134.4140.7163-107.7-91.3000112.2
480R29.3Very low33.2Very low245 Ų245143.7 Ų143.793%0.92576%0.763SS**  trans-96.1145.6-171-177.4-173.6-165.9179.74108.7
481G28.5Very low33Very low72 Ų72148.5 Ų148.574%0.74278%0.775SS**  trans126.559.5154.600000117.5
482T33.1Very low33.1Very low130 Ų130145.5 Ų145.580%0.79877%0.768SS**SBendtrans-141.9138.8143.445.30000106.7S484T482-S484 PolarHBondContact O-N 3.13Å
483T30.7Very low33.4Very low145 Ų145148.9 Ų148.989%0.8978%0.778SS**  trans-52.2110.4170.931.70000108.3V485T483-V485 PolarHBondContact O-N 3.45Å
484S38.1Very low33.7Very low71 Ų71140.9 Ų140.950%0.49776%0.758SS.*  trans-75.7119.8-163.6-171.40000109.9T482 F486T482-S484 PolarHBondContact O-N 3.13Å; S484-F486 WeakPolarHBondContact CB-O 3.46Å; S484-F486 PolarHBondContact O-N 3.27Å; S484-F486 VanDerWaalsContact OG-CA 3.3Å; S484-F486 WeakPolarHBondContact OG-CA 3.28Å; S484-F486 VanDerWaalsContact OG-CB 3.28Å; S484-F486 WeakPolarHBondContact OG-CB 3.3Å; S484-F486 PolarHBondContact OG-N 3.4Å; S484-F486 PolarHBondContact OG-O 2.96Å
485V42.8Very low34.1Very low98 Ų98134.9 Ų134.959%0.59475%0.752SS**SBendtrans-65.410159179.60000111T483T483-V485 PolarHBondContact O-N 3.45Å
486F31.6Very low34.4Very low103 Ų103130.2 Ų130.245%0.45273%0.734SS.*  trans-133.991.1-177.8-52.7-98.7000109.9S484 K620 L624S484-F486 WeakPolarHBondContact CB-O 3.46Å; S484-F486 PolarHBondContact O-N 3.27Å; S484-F486 VanDerWaalsContact OG-CA 3.3Å; S484-F486 WeakPolarHBondContact OG-CA 3.28Å; S484-F486 VanDerWaalsContact OG-CB 3.28Å; S484-F486 WeakPolarHBondContact OG-CB 3.3Å; S484-F486 PolarHBondContact OG-N 3.4Å; S484-F486 PolarHBondContact OG-O 2.96Å; F486-K620 HydrophobicContact CE1-CD 3.62Å; F486-K620 HydrophobicContact CE1-CG 4.5Å; F486-K620 HydrophobicContact CZ-CB 4.29Å; F486-K620 HydrophobicContact CZ-CD 4.13Å; F486-L624 HydrophobicContact CE2-CD1 3.74Å; F486-L624 HydrophobicContact CZ-CD1 3.85Å
487S33.4Very low34.5Very low85 Ų85129.7 Ų129.759%0.59472%0.722SS**  trans-123.8122.9144.4400000107.1D489S487-D489 PolarHBondContact O-N 3.02Å
488I34.3Very low34.6Very low181 Ų181127.1 Ų127.193%0.92871%0.713SS**  trans-7183.7150.2-63.2170.4000103
489D30.7Very low34.3Very low124 Ų124126.6 Ų126.666%0.66371%0.712SS**  trans-122.5118.4165.8-112.1-18000105.9S487 E491S487-D489 PolarHBondContact O-N 3.02Å; D489-E491 PolarHBondContact O-N 3.3Å
490D35.6Very low34.2Very low104 Ų104119.7 Ų119.756%0.55670%0.699SS**  trans-60.6119157.6-74.4-29000107.1
491E29.7Very low34.2Very low194 Ų194115 Ų11591%0.90769%0.688SS**  trans178.2137.8146.3-84.2-117.8168.200109.8D489D489-E491 PolarHBondContact O-N 3.3Å
492G31.8Very low34.3Very low68 Ų68120.3 Ų120.370%0.70170%0.699SS**  trans10989.6157.400000116.3V494G492-V494 PolarHBondContact O-N 3.06Å
493D34.4Very low34.1Very low171 Ų171120.4 Ų120.491%0.91469%0.69SS**  trans-37115.9164.5-78.4-40.7000113.1
494V40.4Very low34.1Very low90 Ų90119.3 Ų119.355%0.54567%0.674SS.*  trans-95.299.2151.2-74.80000106.7G492 D496 P602G492-V494 PolarHBondContact O-N 3.06Å; V494-D496 PolarHBondContact O-N 3.42Å; V494-D496 VanDerWaalsContact O-N 3.15Å; V494-P602 HydrophobicContact CG1-CG 4.16Å
495S39.8Very low33.7Very low110 Ų110121.8 Ų121.877%0.76969%0.691SS**  trans-60.2116.7169.755.10000108.3A497S495-A497 PolarHBondContact O-N 3.1Å
496D40.1Very low33.4Very low100 Ų100120.8 Ų120.854%0.53569%0.685SS.*  trans-58.194.4176.5-80.1-28.7000109.8V494 E498V494-D496 PolarHBondContact O-N 3.42Å; V494-D496 VanDerWaalsContact O-N 3.15Å; D496-E498 PolarHBondContact O-N 3.32Å
497A35.4Very low33.7Very low67 Ų67121.8 Ų121.855%0.55471%0.705SS**  trans-69.9115.8169.200000107.9S495 S499S495-A497 PolarHBondContact O-N 3.1Å; A497-S499 PolarHBondContact O-N 3.05Å; A497-S499 VanDerWaalsContact O-N 3.15Å
498E32.9Very low35Very low157 Ų157121.4 Ų121.473%0.73469%0.694SS**  trans-56.7113.2-178.2-58.4-164.2159.900111.6D496D496-E498 PolarHBondContact O-N 3.32Å
499S34.8Very low36.9Very low101 Ų101119.9 Ų119.971%0.70668%0.682SS**  trans-97.494.6148.349.30000107.8A497A497-S499 PolarHBondContact O-N 3.05Å; A497-S499 VanDerWaalsContact O-N 3.15Å
500S31Very low39.5Very low97 Ų97117.5 Ų117.568%0.67867%0.672SS**  trans-95.872.8157.745.60000106.9
501E30Very low42.1Very low148 Ų148113.4 Ų113.469%0.69265%0.65SS**  trans-128.7112.7172.3-66.3-166.4173.600109.6E503E501-E503 HydrophobicContact CB-CG 4.5Å; E501-E503 PolarHBondContact O-N 2.94Å
502D28.8Very low45Very low182 Ų182105.8 Ų105.897%0.97362%0.621SS**  trans-5479.2156.7-72-51.7000108.9
503E30.3Very low47.7Very low132 Ų132103.1 Ų103.162%0.61759%0.591SS**  trans-102.9114.5177.3-108-160.6168.500109.8E501E501-E503 HydrophobicContact CB-CG 4.5Å; E501-E503 PolarHBondContact O-N 2.94Å
504F30.7Very low50.4Low122 Ų12298 Ų9854%0.53557%0.568SS.*  trans79.8123159.8-62.3-78.5000117.7T506F504-T506 HydrophobicContact CB-CG2 3.74Å; F504-T506 HydrophobicContact CD1-CG2 4.07Å; F504-T506 HydrophobicContact CG-CG2 4.03Å
505S29.3Very low52.5Low124 Ų12499.7 Ų99.787%0.86757%0.574SS**  cis47.922.43387.80000116.2
506T35.6Very low54.8Low77 Ų7796.3 Ų96.347%0.47255%0.545SS..  trans-98.2124.9159.340.80000107.2F504 H508F504-T506 HydrophobicContact CB-CG2 3.74Å; F504-T506 HydrophobicContact CD1-CG2 4.07Å; F504-T506 HydrophobicContact CG-CG2 4.03Å; T506-H508 PolarHBondContact O-N 3.43Å
507S39.4Very low57.2Low123 Ų12394.1 Ų94.186%0.8653%0.533SS*.  trans-49.7103170.444.40000109.5E509S507-E509 PolarHBondContact O-N 3.44Å
508H60.5Low59.6Low78 Ų7894 Ų9436%0.36154%0.538SS..  trans-70.6101178.1-72.8-61.8000108.1T506 V510 I563 R565T506-H508 PolarHBondContact O-N 3.43Å; H508-V510 PolarHBondContact O-N 3.47Å; H508-V510 VanDerWaalsContact O-N 3.17Å; H508-I563 HydrophobicContact CB-CD1 4.3Å; H508-I563 HydrophobicContact CB-CG1 4.29Å; H508-I563 HydrophobicContact CB-CG2 3.65Å; H508-I563 WeakPolarHBondContact ND1-CG2 3.41Å; H508-R565 PolarHBondContact CE1-NH1 3.32Å
509E73.8Confident62.2Low148 Ų14887.8 Ų87.869%0.69251%0.513SS*.  trans-64.5114.3173-170.8176.4179.800108.4S507 I511S507-E509 PolarHBondContact O-N 3.44Å; E509-I511 HydrophobicContact CG-CG2 4.23Å
510V84.5Confident64.6Low74 Ų7489.5 Ų89.545%0.44852%0.522SS..EExtended strand (participates in β ladder)trans-81.4120.8172.3-178.90000107.1H508 V555 Q561 A562 I563H508-V510 PolarHBondContact O-N 3.47Å; H508-V510 VanDerWaalsContact O-N 3.17Å; V510-V555 HydrophobicContact CG1-CG2 4.45Å; V510-Q561 HydrophobicContact CG1-CB 3.86Å; V510-Q561 HydrophobicContact CG1-CG 4.03Å; V510-A562 WeakPolarHBondContact CA-O 3.5Å; V510-I563 HydrophobicContact CG2-CG1 4.24Å
511I90.2Very high67.4Low18 Ų1888.2 Ų88.29%0.09251%0.507CS..EExtended strand (participates in β ladder)trans-109.7151.8-179.657.4157.5000110.5E509 W516 L552 Q561 A562 V564E509-I511 HydrophobicContact CG-CG2 4.23Å; I511-W516 HydrophobicContact CD1-CB 3.91Å; I511-W516 VanDerWaalsContact CD1-CD1 3.41Å; I511-W516 HydrophobicContact CD1-CD2 3.93Å; I511-W516 HydrophobicContact CD1-CG 3.49Å; I511-W516 VanDerWaalsContact CD1-CG 3.49Å; I511-L552 HydrophobicContact CD1-CD1 4.13Å; I511-L552 HydrophobicContact CD1-CD2 3.68Å; I511-Q561 WeakPolarHBondContact O-CA 3.28Å; I511-A562 HydrophobicContact CG1-CB 4.26Å; I511-A562 WeakPolarHBondContact CG1-O 3.4Å; I511-A562 PolarHBondContact N-O 3.03Å; I511-A562 PolarHBondContact O-N 2.88Å; I511-V564 HydrophobicContact CD1-CG2 3.74Å; I511-V564 HydrophobicContact CG1-CG2 4.1Å; I511-V564 HydrophobicContact CG2-CG2 4.19Å
512A90.9Very high70.2Confident35 Ų3582.8 Ų82.829%0.28948%0.483SS..EExtended strand (participates in β ladder)trans-77.4121.1166.900000109.5S514 D515 W516 D560A512-S514 PolarHBondContact O-N 2.98Å; A512-D515 HydrophobicContact CB-CB 4.09Å; A512-W516 WeakPolarHBondContact O-CB 3.33Å; A512-W516 PolarHBondContact O-N 2.95Å; A512-W516 VanDerWaalsContact O-N 3.11Å; A512-D560 CarbonylContact C-O 3.17Å; A512-D560 WeakPolarHBondContact CA-O 3.35Å
513V89.6Confident73.2Confident12 Ų1276.3 Ų76.37%0.07345%0.45CS..Hα-helixtrans-64.9-42.5-173.7176.10000110.7W516 L517 L541 L554 D560 A562V513-W516 PolarHBondContact O-N 3.26Å; V513-L517 HydrophobicContact CG1-CD1 3.66Å; V513-L517 HydrophobicContact CG1-CG 4.06Å; V513-L517 WeakPolarHBondContact O-CB 3.42Å; V513-L517 VanDerWaalsContact O-CG 3.3Å; V513-L517 WeakPolarHBondContact O-CG 3.42Å; V513-L517 PolarHBondContact O-N 3.16Å; V513-L541 HydrophobicContact CG1-CD1 3.65Å; V513-L554 HydrophobicContact CG2-CD2 4Å; V513-D560 WeakPolarHBondContact CB-OD1 3.42Å; V513-D560 PolarHBondContact N-O 3.28Å; V513-D560 PolarHBondContact N-OD1 3.1Å; V513-A562 HydrophobicContact CG2-CB 3.46Å; V513-A562 VanDerWaalsContact CG2-CB 3.46Å
514S90Very high76.1Confident62 Ų6270.8 Ų70.843%0.43443%0.427SS..Hα-helixtrans-62.9-45.9-179.263.60000112.3A512 W516 L517 G518 D560A512-S514 PolarHBondContact O-N 2.98Å; S514-W516 VanDerWaalsContact C-N 3.29Å; S514-W516 PolarHBondContact O-N 3.01Å; S514-L517 PolarHBondContact O-N 3.25Å; S514-G518 PolarHBondContact O-N 3.4Å; S514-D560 VanDerWaalsContact CB-OD1 3.25Å; S514-D560 WeakPolarHBondContact CB-OD1 3.34Å; S514-D560 WeakPolarHBondContact CB-OD2 3.32Å; S514-D560 PolarHBondContact N-OD1 3.08Å; S514-D560 PolarHBondContact OG-OD1 3.36Å; S514-D560 PolarHBondContact OG-OD2 2.98Å
515D85.8Confident79.2Confident127 Ų12767.7 Ų67.768%0.67942%0.42SS*.Hα-helixtrans-62.1-40175.1-72.4-23.1000111.1A512 G518A512-D515 HydrophobicContact CB-CB 4.09Å; D515-G518 PolarHBondContact O-N 3.18Å
516W87.9Confident82.3Confident38 Ų3863.1 Ų63.114%0.14439%0.385CS..Hα-helixtrans-71.9-40.8-178.3-141.589.1000112.4I511 A512 V513 S514 G518 A519 I522 V543 K545 C550 L552I511-W516 HydrophobicContact CD1-CB 3.91Å; I511-W516 VanDerWaalsContact CD1-CD1 3.41Å; I511-W516 HydrophobicContact CD1-CD2 3.93Å; I511-W516 HydrophobicContact CD1-CG 3.49Å; I511-W516 VanDerWaalsContact CD1-CG 3.49Å; A512-W516 WeakPolarHBondContact O-CB 3.33Å; A512-W516 PolarHBondContact O-N 2.95Å; A512-W516 VanDerWaalsContact O-N 3.11Å; V513-W516 PolarHBondContact O-N 3.26Å; S514-W516 VanDerWaalsContact C-N 3.29Å; S514-W516 PolarHBondContact O-N 3.01Å; W516-G518 VanDerWaalsContact C-N 3.33Å; W516-A519 WeakPolarHBondContact O-CB 3.41Å; W516-A519 PolarHBondContact O-N 3.22Å; W516-I522 HydrophobicContact CE3-CD1 3.87Å; W516-I522 HydrophobicContact CZ3-CD1 3.9Å; W516-I522 WeakPolarHBondContact O-CD1 3.37Å; W516-I522 VanDerWaalsContact O-CG1 3.32Å; W516-I522 WeakPolarHBondContact O-CG1 3.46Å; W516-V543 HydrophobicContact CE3-CG1 4.22Å; W516-V543 HydrophobicContact CZ3-CB 4.17Å; W516-V543 HydrophobicContact CZ3-CG1 3.79Å; W516-K545 HydrophobicContact CE3-CD 4.34Å; W516-K545 HydrophobicContact CH2-CB 4.29Å; W516-K545 HydrophobicContact CH2-CD 3.3Å; W516-K545 HydrophobicContact CH2-CG 4.42Å; W516-K545 HydrophobicContact CZ2-CD 3.77Å; W516-K545 HydrophobicContact CZ3-CB 4.25Å; W516-K545 HydrophobicContact CZ3-CD 3.64Å; W516-C550 HydrophobicContact CH2-CB 3.67Å; W516-C550 VanDerWaalsContact CH2-SG 3.6Å; W516-C550 HydrophobicContact CZ3-CB 4.05Å; W516-L552 HydrophobicContact CD2-CD1 4.45Å; W516-L552 HydrophobicContact CE3-CD1 3.95Å; W516-L552 HydrophobicContact CZ3-CD1 4.33Å
517L89.7Confident85Confident55 Ų5566.9 Ų66.929%0.28840%0.397SS..Hα-helixtrans-73.5-23.5175.5-68.6-179.3000112.7V513 S514 A519 L541 V543V513-L517 HydrophobicContact CG1-CD1 3.66Å; V513-L517 HydrophobicContact CG1-CG 4.06Å; V513-L517 WeakPolarHBondContact O-CB 3.42Å; V513-L517 VanDerWaalsContact O-CG 3.3Å; V513-L517 WeakPolarHBondContact O-CG 3.42Å; V513-L517 PolarHBondContact O-N 3.16Å; S514-L517 PolarHBondContact O-N 3.25Å; L517-A519 VanDerWaalsContact C-N 3.27Å; L517-A519 PolarHBondContact O-N 3.35Å; L517-L541 HydrophobicContact CD1-CD1 4.49Å; L517-V543 HydrophobicContact CD2-CG1 3.92Å; L517-V543 HydrophobicContact CD2-CG2 3.83Å
518G86.3Confident87.6Confident64 Ų6461.6 Ų61.666%0.6636%0.36SS*.THydrogen-bonded Turntrans-77.7-6.4175.400000114.6S514 D515 W516S514-G518 PolarHBondContact O-N 3.4Å; D515-G518 PolarHBondContact O-N 3.18Å; W516-G518 VanDerWaalsContact C-N 3.33Å
519A87.7Confident89.1Confident26 Ų2659.8 Ų59.822%0.21535%0.351CS..SBendtrans-65.9139.717900000111.3W516 L517 D521 I522W516-A519 WeakPolarHBondContact O-CB 3.41Å; W516-A519 PolarHBondContact O-N 3.22Å; L517-A519 VanDerWaalsContact C-N 3.27Å; L517-A519 PolarHBondContact O-N 3.35Å; A519-D521 WeakPolarHBondContact CB-OD1 3.32Å; A519-D521 PolarHBondContact O-N 3.03Å; A519-D521 VanDerWaalsContact O-N 3.11Å; A519-I522 HydrophobicContact CB-CG1 4.04Å; A519-I522 WeakPolarHBondContact O-CB 3.37Å; A519-I522 WeakPolarHBondContact O-CG1 3.2Å; A519-I522 PolarHBondContact O-N 3.04Å; A519-I522 VanDerWaalsContact O-N 3.13Å
520P85.2Confident90Very high138 Ų13853.6 Ų53.690%0.89632%0.322SS*.THydrogen-bonded Turntrans-68.6-12.5-171.928.4-36.3000114.2
521D88.5Confident90.2Very high69 Ų6950.7 Ų50.737%0.36930%0.304SS..THydrogen-bonded Turntrans-91.4-0.9178.160.2-19000113.5A519 K545 G546A519-D521 WeakPolarHBondContact CB-OD1 3.32Å; A519-D521 PolarHBondContact O-N 3.03Å; A519-D521 VanDerWaalsContact O-N 3.11Å; D521-K545 HydrophobicContact CB-CG 4.48Å; D521-K545 VanDerWaalsContact CG-CE 3.46Å; D521-K545 WeakPolarHBondContact OD1-CE 3.2Å; D521-K545 WeakPolarHBondContact OD2-CE 3.46Å; D521-K545 WeakPolarHBondContact OD2-CG 3.42Å; D521-G546 PolarHBondContact O-N 3.1Å
522I90.5Very high89.9Confident35 Ų3553.1 Ų53.118%0.17932%0.315CS..EExtended strand (participates in β ladder)trans-76.3127.9175-58-74.5000109.9W516 A519 V543 K545W516-I522 HydrophobicContact CE3-CD1 3.87Å; W516-I522 HydrophobicContact CZ3-CD1 3.9Å; W516-I522 WeakPolarHBondContact O-CD1 3.37Å; W516-I522 VanDerWaalsContact O-CG1 3.32Å; W516-I522 WeakPolarHBondContact O-CG1 3.46Å; A519-I522 HydrophobicContact CB-CG1 4.04Å; A519-I522 WeakPolarHBondContact O-CB 3.37Å; A519-I522 WeakPolarHBondContact O-CG1 3.2Å; A519-I522 PolarHBondContact O-N 3.04Å; A519-I522 VanDerWaalsContact O-N 3.13Å; I522-V543 HydrophobicContact CD1-CG1 3.51Å; I522-V543 HydrophobicContact CG2-CG1 4.17Å; I522-K545 HydrophobicContact CD1-CB 3.86Å; I522-K545 HydrophobicContact CD1-CD 4.02Å; I522-K545 HydrophobicContact CD1-CG 3.84Å
523V90.3Very high89Confident46 Ų4658.4 Ų58.428%0.27933%0.331SS..EExtended strand (participates in β ladder)trans-100.5-44.1-175-169.20000110.6L544 M618V523-L544 HydrophobicContact CB-CB 4.14Å; V523-L544 HydrophobicContact CB-CD2 3.72Å; V523-L544 HydrophobicContact CB-CG 3.94Å; V523-L544 WeakPolarHBondContact CB-O 3.5Å; V523-L544 HydrophobicContact CG1-CD2 3.75Å; V523-L544 HydrophobicContact CG2-CD2 4.2Å; V523-L544 HydrophobicContact CG2-CG 4.1Å; V523-L544 WeakPolarHBondContact CG2-O 3.45Å; V523-L544 PolarHBondContact N-O 3.37Å; V523-M618 HydrophobicContact CG1-CE 4.48Å
524A92.8Very high88Confident15 Ų1561.5 Ų61.512%0.12436%0.358CS..EExtended strand (participates in β ladder)trans-164156.718000000110.7F526 L544 M618A524-F526 HydrophobicContact CB-CE2 3.75Å; A524-F526 HydrophobicContact CB-CZ 4.1Å; A524-L544 PolarHBondContact O-N 3.26Å; A524-M618 HydrophobicContact CB-CE 3.55Å; A524-M618 HydrophobicContact CB-SD 3.69Å
525S93.8Very high86.8Confident58 Ų5858.7 Ų58.741%0.40634%0.339SS..EExtended strand (participates in β ladder)trans-134.9138.9171.858.40000110.1L542S525-L542 CarbonylContact C-O 3.59Å; S525-L542 WeakPolarHBondContact CA-O 3.36Å
526F95.2Very high86.4Confident27 Ų2760 Ų6012%0.11834%0.335CS..EExtended strand (participates in β ladder)trans-127123.6178.3-59.2-85.5000110A524 L541 L542 V609 D614 C615 M618A524-F526 HydrophobicContact CB-CE2 3.75Å; A524-F526 HydrophobicContact CB-CZ 4.1Å; F526-L541 WeakPolarHBondContact O-CA 3.32Å; F526-L542 HydrophobicContact CB-CB 4.45Å; F526-L542 PolarHBondContact N-O 3.21Å; F526-L542 PolarHBondContact O-N 3.12Å; F526-V609 HydrophobicContact CB-CG1 4.31Å; F526-D614 HydrophobicContact CE1-CB 4.29Å; F526-C615 HydrophobicContact CB-CB 4.42Å; F526-C615 HydrophobicContact CD1-CB 3.74Å; F526-C615 HydrophobicContact CD2-CB 3.97Å; F526-C615 HydrophobicContact CE1-CB 3.91Å; F526-C615 HydrophobicContact CE2-CB 4.14Å; F526-C615 HydrophobicContact CG-CB 3.77Å; F526-C615 VanDerWaalsContact CZ-CA 3.46Å; F526-C615 HydrophobicContact CZ-CB 4.11Å; F526-M618 HydrophobicContact CE2-CB 4.26Å; F526-M618 HydrophobicContact CE2-SD 4.37Å; F526-M618 HydrophobicContact CZ-CB 4.05Å; F526-M618 HydrophobicContact CZ-CG 4.07Å; F526-M618 HydrophobicContact CZ-SD 3.64Å
527E92.7Very high86.3Confident157 Ų15759.4 Ų59.473%0.73434%0.336SS*.EExtended strand (participates in β ladder)trans-67.5135168.9-71.4177.3-163.400110.1L541E527-L541 HydrophobicContact CB-CD2 4.43Å; E527-L541 HydrophobicContact CG-CD2 3.65Å
528C93.9Very high86.2Confident12 Ų1259 Ų598%0.08133%0.332CS..EExtended strand (participates in β ladder)trans-154.8170.4-178.267.40000111.9S540 V608 V609C528-S540 PolarHBondContact N-O 2.89Å; C528-S540 PolarHBondContact O-N 3.26Å; C528-S540 PolarHBondContact SG-O 3.35Å; C528-V608 VanDerWaalsContact CA-O 3.28Å; C528-V608 WeakPolarHBondContact CA-O 3.33Å; C528-V608 WeakPolarHBondContact CB-O 3.18Å; C528-V609 HydrophobicContact CB-CB 4.47Å; C528-V609 HydrophobicContact CB-CG2 3.8Å
529K91.3Very high86.3Confident40 Ų4058.6 Ų58.617%0.17431%0.313CS..EExtended strand (participates in β ladder)trans-112.8114.4165.8-63.2-177.8-177.9-1760107.9F236 D344 L531 F538 Y607 V608F236-K529 HydrophobicContact CE2-CB 4.36Å; F236-K529 HydrophobicContact CE2-CD 3.61Å; F236-K529 HydrophobicContact CZ-CD 3.74Å; D344-K529 IonicContact OD1-NZ 3.58Å; D344-K529 PolarHBondContact OD1-NZ 3.3Å; D344-K529 IonicContact OD2-NZ 3.56Å; D344-K529 PolarHBondContact OD2-NZ 3.07Å; K529-L531 PolarHBondContact O-N 3.02Å; K529-F538 WeakPolarHBondContact CA-O 3.37Å; K529-Y607 WeakPolarHBondContact O-CA 3.29Å; K529-V608 PolarHBondContact N-O 3.42Å; K529-V608 PolarHBondContact O-N 3.17Å
530Q92.9Very high86.6Confident17 Ų1757.5 Ų57.58%0.07930%0.303CS..EExtended strand (participates in β ladder)trans-67.4124.3171.6-178.8176.737.900108S537 F538 Y607Q530-S537 CarbonylContact O-C 3.55Å; Q530-S537 WeakPolarHBondContact O-CA 3.5Å; Q530-F538 PolarHBondContact N-O 3.32Å; Q530-F538 PolarHBondContact O-N 3.34Å; Q530-Y607 HydrophobicContact CB-CD1 3.88Å; Q530-Y607 HydrophobicContact CB-CE1 3.68Å; Q530-Y607 HydrophobicContact CG-CD1 4.15Å; Q530-Y607 HydrophobicContact CG-CE1 3.61Å; Q530-Y607 PolarHBondContact NE2-OH 3.48Å
531L88.9Confident87Confident13 Ų1351.5 Ų51.57%0.06826%0.264CS..EExtended strand (participates in β ladder)trans-93.8125.3175.4-61.4-171.6000109.9Q232 F236 K529 L585 R606 V608Q232-L531 HydrophobicContact CB-CD1 4.35Å; F236-L531 HydrophobicContact CD2-CD2 3.64Å; F236-L531 HydrophobicContact CE2-CD2 4.28Å; F236-L531 HydrophobicContact CG-CD2 4.45Å; K529-L531 PolarHBondContact O-N 3.02Å; L531-L585 HydrophobicContact CD1-CD1 3.55Å; L531-L585 HydrophobicContact CG-CD1 4.49Å; L531-R606 HydrophobicContact CB-CB 4.27Å; L531-R606 PolarHBondContact N-O 3.13Å; L531-V608 HydrophobicContact CD1-CG2 3.69Å; L531-V608 HydrophobicContact CD2-CG2 3.94Å; L531-V608 HydrophobicContact CG-CG2 3.87Å
532E84Confident87.4Confident69 Ų6948.3 Ų48.332%0.32225%0.246SC..  trans-106172.2168.5-73.1-175.6-172.800110.3G535 R536 F538 R553E532-G535 PolarHBondContact O-N 3.02Å; E532-R536 HydrophobicContact CB-CB 4.29Å; E532-R536 PolarHBondContact N-O 3.47Å; E532-F538 VanDerWaalsContact CD-CE2 3.44Å; E532-F538 HydrophobicContact CG-CD2 4.38Å; E532-F538 HydrophobicContact CG-CE2 4.16Å; E532-F538 WeakPolarHBondContact OE2-CE2 3.46Å; E532-R553 IonicContact OE1-CZ 2.84Å; E532-R553 IonicContact OE1-NH1 3.73Å; E532-R553 IonicContact OE1-NH2 2.77Å; E532-R553 PolarHBondContact OE1-NH2 3.11Å
533K71.9Confident87.6Confident146 Ų14646.6 Ų46.664%0.63524%0.238SC*.G310 helixtrans-55154.5175.3-66.5-175.7177-178.50111.1G535K533-G535 PolarHBondContact O-N 3.05Å
534A67.8Low87.7Confident77 Ų7744.5 Ų44.564%0.63623%0.225SC*.G310 helixtrans60.823.2-176.300000114.9N239 R536N239-A534 PolarHBondContact ND2-O 2.85Å; A534-R536 PolarHBondContact O-N 3.35Å
535G66.5Low87.6Confident4 Ų446.3 Ų46.34%0.04123%0.23CC..G310 helixtrans69.615.1175.700000114.6N239 E532 K533N239-G535 VanDerWaalsContact ND2-C 3.31Å; N239-G535 PolarHBondContact ND2-O 2.81Å; E532-G535 PolarHBondContact O-N 3.02Å; K533-G535 PolarHBondContact O-N 3.05Å
536R76.8Confident87.3Confident153 Ų15344.6 Ų44.658%0.57722%0.222SC*.  trans-67.3137.8169.5-69.2-176.3-177175.81.3108.4E532 A534 F538E532-R536 HydrophobicContact CB-CB 4.29Å; E532-R536 PolarHBondContact N-O 3.47Å; A534-R536 PolarHBondContact O-N 3.35Å; R536-F538 HydrophobicContact CB-CE2 4.28Å
537S85.5Confident86.9Confident26 Ų2647.5 Ų47.518%0.18224%0.238CC..EExtended strand (participates in β ladder)trans-139138-178.266.70000110.8R240 Q530R240-S537 VanDerWaalsContact CZ-OG 3.32Å; R240-S537 PolarHBondContact NH1-OG 3.01Å; R240-S537 PolarHBondContact NH2-OG 3.11Å; Q530-S537 CarbonylContact O-C 3.55Å; Q530-S537 WeakPolarHBondContact O-CA 3.5Å
538F87.8Confident86.9Confident46 Ų4641.8 Ų41.820%0.20222%0.215CC..EExtended strand (participates in β ladder)trans-121.3132.6-179.2-59.7-85.1000110.3K529 Q530 E532 R536 S540 R553K529-F538 WeakPolarHBondContact CA-O 3.37Å; Q530-F538 PolarHBondContact N-O 3.32Å; Q530-F538 PolarHBondContact O-N 3.34Å; E532-F538 VanDerWaalsContact CD-CE2 3.44Å; E532-F538 HydrophobicContact CG-CD2 4.38Å; E532-F538 HydrophobicContact CG-CE2 4.16Å; E532-F538 WeakPolarHBondContact OE2-CE2 3.46Å; R536-F538 HydrophobicContact CB-CE2 4.28Å; F538-S540 PolarHBondContact O-N 3.42Å; F538-S540 PolarHBondContact O-OG 2.8Å; F538-R553 HydrophobicContact CB-CG 4.07Å
539K89Confident87Confident57 Ų5741.3 Ų41.325%0.24821%0.212CC..EExtended strand (participates in β ladder)trans-59.2123171.3-71.3177.8-178153.30108.8D342 P343 L554D342-K539 IonicContact OD1-NZ 2.94Å; D342-K539 PolarHBondContact OD1-NZ 3.35Å; P343-K539 HydrophobicContact CB-CD 4.45Å; P343-K539 VanDerWaalsContact CB-NZ 3.26Å; P343-K539 HydrophobicContact CG-CD 4.13Å; K539-L554 HydrophobicContact CB-CB 4.41Å; K539-L554 HydrophobicContact CB-CD1 4.14Å; K539-L554 PolarHBondContact O-N 3.25Å
540S93.1Very high87.1Confident3 Ų339.5 Ų39.52%0.02120%0.204CC..EExtended strand (participates in β ladder)trans-143.6158.9-171.9-560000110.7C528 F538 L552C528-S540 PolarHBondContact N-O 2.89Å; C528-S540 PolarHBondContact O-N 3.26Å; C528-S540 PolarHBondContact SG-O 3.35Å; F538-S540 PolarHBondContact O-N 3.42Å; F538-S540 PolarHBondContact O-OG 2.8Å; S540-L552 CarbonylContact C-O 3.57Å; S540-L552 WeakPolarHBondContact CA-O 3.47Å; S540-L552 WeakPolarHBondContact CB-O 3.5Å
541L94.5Very high87.2Confident12 Ų1238.7 Ų38.76%0.06320%0.201CC..EExtended strand (participates in β ladder)trans-113.6129.8168.6-68.6159.2000108.7V513 L517 F526 E527 V543 L552 L554V513-L541 HydrophobicContact CG1-CD1 3.65Å; L517-L541 HydrophobicContact CD1-CD1 4.49Å; F526-L541 WeakPolarHBondContact O-CA 3.32Å; E527-L541 HydrophobicContact CB-CD2 4.43Å; E527-L541 HydrophobicContact CG-CD2 3.65Å; L541-V543 HydrophobicContact CB-CG2 3.83Å; L541-L552 HydrophobicContact CB-CB 4.23Å; L541-L552 PolarHBondContact N-O 3.09Å; L541-L552 PolarHBondContact O-N 3.39Å; L541-L554 HydrophobicContact CD1-CD2 3.97Å
542L95.3Very high87.4Confident1 Ų138.1 Ų38.11%0.00520%0.197CC..EExtended strand (participates in β ladder)trans-88.5112.2162-73.8173.4000107.6S525 F526 L549 V551 F588 Y607 V609S525-L542 CarbonylContact C-O 3.59Å; S525-L542 WeakPolarHBondContact CA-O 3.36Å; F526-L542 HydrophobicContact CB-CB 4.45Å; F526-L542 PolarHBondContact N-O 3.21Å; F526-L542 PolarHBondContact O-N 3.12Å; L542-L549 HydrophobicContact CB-CD1 4.38Å; L542-L549 HydrophobicContact CD2-CD1 4.37Å; L542-L549 HydrophobicContact CD2-CD2 4.41Å; L542-L549 HydrophobicContact CD2-CG 4.4Å; L542-V551 HydrophobicContact CD2-CG2 4.03Å; L542-F588 HydrophobicContact CD1-CE2 4.05Å; L542-F588 HydrophobicContact CD1-CZ 4.33Å; L542-Y607 HydrophobicContact CD1-CD1 4.26Å; L542-Y607 HydrophobicContact CD1-CD2 4.23Å; L542-Y607 HydrophobicContact CD1-CG 3.96Å; L542-Y607 HydrophobicContact CD2-CD1 4.25Å; L542-Y607 HydrophobicContact CD2-CD2 4.46Å; L542-Y607 HydrophobicContact CD2-CE1 4.01Å; L542-Y607 HydrophobicContact CD2-CE2 4.23Å; L542-Y607 HydrophobicContact CD2-CG 4.49Å; L542-Y607 HydrophobicContact CG-CD1 4.3Å; L542-Y607 HydrophobicContact CG-CG 4.48Å; L542-V609 HydrophobicContact CD1-CG2 4.29Å
543V95.2Very high87.9Confident0 Ų036.1 Ų36.10%019%0.187CC..EExtended strand (participates in β ladder)trans-116.1121.7-175.8-174.60000109.6W516 L517 I522 L541 C550 L552W516-V543 HydrophobicContact CE3-CG1 4.22Å; W516-V543 HydrophobicContact CZ3-CB 4.17Å; W516-V543 HydrophobicContact CZ3-CG1 3.79Å; L517-V543 HydrophobicContact CD2-CG1 3.92Å; L517-V543 HydrophobicContact CD2-CG2 3.83Å; I522-V543 HydrophobicContact CD1-CG1 3.51Å; I522-V543 HydrophobicContact CG2-CG1 4.17Å; L541-V543 HydrophobicContact CB-CG2 3.83Å; V543-C550 HydrophobicContact CB-CB 4.44Å; V543-C550 PolarHBondContact N-O 2.88Å; V543-C550 PolarHBondContact O-N 2.97Å; V543-L552 HydrophobicContact CG2-CD1 3.68Å; V543-L552 HydrophobicContact CG2-CG 4.13Å
544L93.6Very high88.8Confident2 Ų232.2 Ų32.21%0.0117%0.173CC..EExtended strand (participates in β ladder)trans-90.2109.1174.9-171.469.9000108.4V523 A524 L570 A622V523-L544 HydrophobicContact CB-CB 4.14Å; V523-L544 HydrophobicContact CB-CD2 3.72Å; V523-L544 HydrophobicContact CB-CG 3.94Å; V523-L544 WeakPolarHBondContact CB-O 3.5Å; V523-L544 HydrophobicContact CG1-CD2 3.75Å; V523-L544 HydrophobicContact CG2-CD2 4.2Å; V523-L544 HydrophobicContact CG2-CG 4.1Å; V523-L544 WeakPolarHBondContact CG2-O 3.45Å; V523-L544 PolarHBondContact N-O 3.37Å; A524-L544 PolarHBondContact O-N 3.26Å; L544-L570 HydrophobicContact CD1-CD1 3.96Å; L544-L570 HydrophobicContact CD1-CD2 3.64Å; L544-L570 HydrophobicContact CD1-CG 4.31Å; L544-A622 HydrophobicContact CD1-CB 3.92Å; L544-A622 HydrophobicContact CD2-CB 3.45Å; L544-A622 VanDerWaalsContact CD2-CB 3.45Å; L544-A622 HydrophobicContact CG-CB 4.15Å
545K91Very high89.6Confident53 Ų5330.4 Ų30.423%0.2315%0.154CC..EExtended strand (participates in β ladder)trans-124.2110-175.6-176.7178.9178.9176.10110W516 D521 I522 D547 C548W516-K545 HydrophobicContact CE3-CD 4.34Å; W516-K545 HydrophobicContact CH2-CB 4.29Å; W516-K545 HydrophobicContact CH2-CD 3.3Å; W516-K545 HydrophobicContact CH2-CG 4.42Å; W516-K545 HydrophobicContact CZ2-CD 3.77Å; W516-K545 HydrophobicContact CZ3-CB 4.25Å; W516-K545 HydrophobicContact CZ3-CD 3.64Å; D521-K545 HydrophobicContact CB-CG 4.48Å; D521-K545 VanDerWaalsContact CG-CE 3.46Å; D521-K545 WeakPolarHBondContact OD1-CE 3.2Å; D521-K545 WeakPolarHBondContact OD2-CE 3.46Å; D521-K545 WeakPolarHBondContact OD2-CG 3.42Å; I522-K545 HydrophobicContact CD1-CB 3.86Å; I522-K545 HydrophobicContact CD1-CD 4.02Å; I522-K545 HydrophobicContact CD1-CG 3.84Å; K545-D547 PolarHBondContact O-N 2.88Å; K545-C548 PolarHBondContact N-O 3.13Å; K545-C548 PolarHBondContact O-N 2.98Å
546G86.5Confident89.9Confident22 Ų2237.3 Ų37.323%0.22719%0.185CC..THydrogen-bonded Turntrans51.6-113.6-173.600000111.3D521D521-G546 PolarHBondContact O-N 3.1Å
547D87.8Confident89.6Confident88 Ų8835.9 Ų35.947%0.47119%0.189SC..THydrogen-bonded Turntrans-104.122.1-179.9-59.5-21.2000113.6K545 P569 L570K545-D547 PolarHBondContact O-N 2.88Å; D547-P569 CarbonylContact O-C 3.55Å; D547-L570 WeakPolarHBondContact O-CG 3.47Å; D547-L570 PolarHBondContact O-N 3.05Å
548C92.5Very high89.1Confident37 Ų3736 Ų3625%0.2519%0.192CC..EExtended strand (participates in β ladder)trans-127.7141.9177.8-67.70000111.8K545 H568K545-C548 PolarHBondContact N-O 3.13Å; K545-C548 PolarHBondContact O-N 2.98Å; C548-H568 CarbonylContact C-O 3.59Å; C548-H568 VanDerWaalsContact CA-O 3.31Å; C548-H568 WeakPolarHBondContact CA-O 3.44Å
549L94.5Very high88.5Confident2 Ų240.4 Ų40.41%0.0121%0.213CC..EExtended strand (participates in β ladder)trans-95.5110.9161.4-177.966.4000108.4L542 H568 L570 I573 F588 V619L542-L549 HydrophobicContact CB-CD1 4.38Å; L542-L549 HydrophobicContact CD2-CD1 4.37Å; L542-L549 HydrophobicContact CD2-CD2 4.41Å; L542-L549 HydrophobicContact CD2-CG 4.4Å; L549-H568 PolarHBondContact N-O 3.31Å; L549-H568 PolarHBondContact O-N 3.31Å; L549-L570 HydrophobicContact CB-CD2 4.03Å; L549-I573 HydrophobicContact CB-CD1 4.05Å; L549-I573 HydrophobicContact CD2-CD1 3.88Å; L549-F588 HydrophobicContact CD2-CD1 3.83Å; L549-F588 HydrophobicContact CD2-CE1 3.64Å; L549-F588 HydrophobicContact CD2-CZ 4.22Å; L549-V619 HydrophobicContact CD1-CG2 4.11Å
550C94.7Very high88.3Confident1 Ų141.1 Ų41.11%0.00722%0.219CC..EExtended strand (participates in β ladder)trans-100.6137.3-178.1-600000110.4W516 V543 A566 M567W516-C550 HydrophobicContact CH2-CB 3.67Å; W516-C550 VanDerWaalsContact CH2-SG 3.6Å; W516-C550 HydrophobicContact CZ3-CB 4.05Å; V543-C550 HydrophobicContact CB-CB 4.44Å; V543-C550 PolarHBondContact N-O 2.88Å; V543-C550 PolarHBondContact O-N 2.97Å; C550-A566 WeakPolarHBondContact CA-O 3.33Å; C550-M567 HydrophobicContact CB-CG 4.44Å
551V94.6Very high88.2Confident1 Ų145.1 Ų45.11%0.00624%0.238CC..EExtended strand (participates in β ladder)trans-107.4108.5177.1-173.30000107.3L542 R565 A566 Y607L542-V551 HydrophobicContact CD2-CG2 4.03Å; V551-R565 HydrophobicContact CG1-CB 4.4Å; V551-R565 PolarHBondContact O-N 3.48Å; V551-A566 HydrophobicContact CB-CB 4.16Å; V551-A566 HydrophobicContact CG2-CB 4.07Å; V551-A566 PolarHBondContact N-O 3.15Å; V551-A566 PolarHBondContact O-N 3.17Å; V551-Y607 HydrophobicContact CG1-CE1 4.03Å; V551-Y607 WeakPolarHBondContact CG2-OH 3.25Å
552L94Very high88Confident0 Ų044.6 Ų44.60%024%0.235CC..EExtended strand (participates in β ladder)trans-101.4117176.7-56.1-179.1000108.3I511 W516 S540 L541 V543 A562 V564I511-L552 HydrophobicContact CD1-CD1 4.13Å; I511-L552 HydrophobicContact CD1-CD2 3.68Å; W516-L552 HydrophobicContact CD2-CD1 4.45Å; W516-L552 HydrophobicContact CE3-CD1 3.95Å; W516-L552 HydrophobicContact CZ3-CD1 4.33Å; S540-L552 CarbonylContact C-O 3.57Å; S540-L552 WeakPolarHBondContact CA-O 3.47Å; S540-L552 WeakPolarHBondContact CB-O 3.5Å; L541-L552 HydrophobicContact CB-CB 4.23Å; L541-L552 PolarHBondContact N-O 3.09Å; L541-L552 PolarHBondContact O-N 3.39Å; V543-L552 HydrophobicContact CG2-CD1 3.68Å; V543-L552 HydrophobicContact CG2-CG 4.13Å; L552-A562 HydrophobicContact CB-CB 3.97Å; L552-V564 HydrophobicContact CD2-CB 4.18Å; L552-V564 HydrophobicContact CD2-CG1 4.26Å; L552-V564 HydrophobicContact CD2-CG2 3.7Å
553R93Very high87.9Confident27 Ų2745.9 Ų45.910%0.10224%0.242CC..EExtended strand (participates in β ladder)trans-89.2121.2172.6-178175.5-61.5-177.1-0.3108.5E532 F538 A562 I563 R565E532-R553 IonicContact OE1-CZ 2.84Å; E532-R553 IonicContact OE1-NH1 3.73Å; E532-R553 IonicContact OE1-NH2 2.77Å; E532-R553 PolarHBondContact OE1-NH2 3.11Å; F538-R553 HydrophobicContact CB-CG 4.07Å; R553-A562 CarbonylContact O-C 3.57Å; R553-A562 VanDerWaalsContact O-CA 3.25Å; R553-A562 WeakPolarHBondContact O-CA 3.17Å; R553-A562 WeakPolarHBondContact O-CB 3.46Å; R553-I563 PolarHBondContact N-O 3.37Å; R553-I563 PolarHBondContact O-N 2.85Å; R553-R565 HydrophobicContact CB-CG 3.53Å
554L90.5Very high87.7Confident64 Ų6447.7 Ų47.734%0.33525%0.253SS..EExtended strand (participates in β ladder)trans-66.1137.4177.6-60.1-179.5000109.4V513 K539 L541 A562V513-L554 HydrophobicContact CG2-CD2 4Å; K539-L554 HydrophobicContact CB-CB 4.41Å; K539-L554 HydrophobicContact CB-CD1 4.14Å; K539-L554 PolarHBondContact O-N 3.25Å; L541-L554 HydrophobicContact CD1-CD2 3.97Å; L554-A562 HydrophobicContact CD2-CB 4.13Å
555V85.8Confident87.6Confident40 Ų4052.5 Ų52.524%0.24227%0.27CS..PPolyproline II helixtrans-76.6128.9177178.90000108.4V510 D557 A558 Q561 I563V510-V555 HydrophobicContact CG1-CG2 4.45Å; V555-D557 PolarHBondContact O-N 2.66Å; V555-A558 HydrophobicContact CB-CB 4.21Å; V555-A558 HydrophobicContact CG1-CB 4.04Å; V555-A558 PolarHBondContact O-N 3.35Å; V555-Q561 HydrophobicContact CB-CB 4.21Å; V555-Q561 HydrophobicContact CG2-CB 4.19Å; V555-Q561 PolarHBondContact N-O 3.21Å; V555-I563 HydrophobicContact CG2-CD1 4.02Å; V555-I563 HydrophobicContact CG2-CG1 3.82Å
556E72.4Confident87.6Confident149 Ų14950.8 Ų50.870%0.69627%0.266SS*.THydrogen-bonded Turntrans-64132.8173.6-66.3176.9-178.900109.3A558E556-A558 PolarHBondContact O-N 2.76Å
557D70.1Confident87.8Confident122 Ų12255.1 Ų55.165%0.65228%0.282SS*.THydrogen-bonded Turntrans71.111-179-45.2-35.4000117.1K287 V555K287-D557 IonicContact NZ-OD1 2.88Å; K287-D557 IonicContact NZ-OD2 3.59Å; K287-D557 PolarHBondContact NZ-OD2 3.24Å; V555-D557 PolarHBondContact O-N 2.66Å
558A76Confident88.1Confident30 Ų3052 Ų5225%0.24827%0.265CS..  trans-129.6110.5174.800000111.8V555 E556 Q561V555-A558 HydrophobicContact CB-CB 4.21Å; V555-A558 HydrophobicContact CG1-CB 4.04Å; V555-A558 PolarHBondContact O-N 3.35Å; E556-A558 PolarHBondContact O-N 2.76Å; A558-Q561 HydrophobicContact CB-CB 3.8Å; A558-Q561 HydrophobicContact CB-CG 4.06Å; A558-Q561 PolarHBondContact O-N 3.32Å
559E73.7Confident88Confident137 Ų13752.9 Ų52.964%0.6427%0.27SS*.THydrogen-bonded Turntrans-63.6142172-69.6-176-177.800110.5L340 Q561L340-E559 VanDerWaalsContact CD2-OE1 3.25Å; L340-E559 WeakPolarHBondContact CD2-OE1 3.31Å; E559-Q561 PolarHBondContact O-N 3.18Å; E559-Q561 VanDerWaalsContact O-N 3.12Å
560D86.1Confident87.9Confident72 Ų7253.2 Ų53.239%0.38527%0.272SS..THydrogen-bonded Turntrans58.919.1179.9-158.341.8000115.1A512 V513 S514A512-D560 CarbonylContact C-O 3.17Å; A512-D560 WeakPolarHBondContact CA-O 3.35Å; V513-D560 WeakPolarHBondContact CB-OD1 3.42Å; V513-D560 PolarHBondContact N-O 3.28Å; V513-D560 PolarHBondContact N-OD1 3.1Å; S514-D560 VanDerWaalsContact CB-OD1 3.25Å; S514-D560 WeakPolarHBondContact CB-OD1 3.34Å; S514-D560 WeakPolarHBondContact CB-OD2 3.32Å; S514-D560 PolarHBondContact N-OD1 3.08Å; S514-D560 PolarHBondContact OG-OD1 3.36Å; S514-D560 PolarHBondContact OG-OD2 2.98Å
561Q89.5Confident87.6Confident88 Ų8858.5 Ų58.541%0.41131%0.309SS..EExtended strand (participates in β ladder)trans-115.7133.7175.9-68.2-170.3-3.600112.3V510 I511 V555 A558 E559V510-Q561 HydrophobicContact CG1-CB 3.86Å; V510-Q561 HydrophobicContact CG1-CG 4.03Å; I511-Q561 WeakPolarHBondContact O-CA 3.28Å; V555-Q561 HydrophobicContact CB-CB 4.21Å; V555-Q561 HydrophobicContact CG2-CB 4.19Å; V555-Q561 PolarHBondContact N-O 3.21Å; A558-Q561 HydrophobicContact CB-CB 3.8Å; A558-Q561 HydrophobicContact CB-CG 4.06Å; A558-Q561 PolarHBondContact O-N 3.32Å; E559-Q561 PolarHBondContact O-N 3.18Å; E559-Q561 VanDerWaalsContact O-N 3.12Å
562A91.2Very high87.5Confident0 Ų059.5 Ų59.50%032%0.316CS..EExtended strand (participates in β ladder)trans-136.2154.6172.800000111.7V510 I511 V513 L552 R553 L554V510-A562 WeakPolarHBondContact CA-O 3.5Å; I511-A562 HydrophobicContact CG1-CB 4.26Å; I511-A562 WeakPolarHBondContact CG1-O 3.4Å; I511-A562 PolarHBondContact N-O 3.03Å; I511-A562 PolarHBondContact O-N 2.88Å; V513-A562 HydrophobicContact CG2-CB 3.46Å; V513-A562 VanDerWaalsContact CG2-CB 3.46Å; L552-A562 HydrophobicContact CB-CB 3.97Å; R553-A562 CarbonylContact O-C 3.57Å; R553-A562 VanDerWaalsContact O-CA 3.25Å; R553-A562 WeakPolarHBondContact O-CA 3.17Å; R553-A562 WeakPolarHBondContact O-CB 3.46Å; L554-A562 HydrophobicContact CD2-CB 4.13Å
563I92.2Very high87.4Confident29 Ų2960.3 Ų60.315%0.14932%0.32CS..EExtended strand (participates in β ladder)trans-100.6124.8168.1-66.4164.6000107.3H508 V510 R553 V555 R565H508-I563 HydrophobicContact CB-CD1 4.3Å; H508-I563 HydrophobicContact CB-CG1 4.29Å; H508-I563 HydrophobicContact CB-CG2 3.65Å; H508-I563 WeakPolarHBondContact ND1-CG2 3.41Å; V510-I563 HydrophobicContact CG2-CG1 4.24Å; R553-I563 PolarHBondContact N-O 3.37Å; R553-I563 PolarHBondContact O-N 2.85Å; V555-I563 HydrophobicContact CG2-CD1 4.02Å; V555-I563 HydrophobicContact CG2-CG1 3.82Å; I563-R565 PolarHBondContact O-N 3.36Å
564V91.5Very high87.1Confident38 Ų3860.4 Ų60.423%0.2333%0.33CS..EExtended strand (participates in β ladder)trans-66.6107.7169.8-172.90000107.8I511 L552 M567I511-V564 HydrophobicContact CD1-CG2 3.74Å; I511-V564 HydrophobicContact CG1-CG2 4.1Å; I511-V564 HydrophobicContact CG2-CG2 4.19Å; L552-V564 HydrophobicContact CD2-CB 4.18Å; L552-V564 HydrophobicContact CD2-CG1 4.26Å; L552-V564 HydrophobicContact CD2-CG2 3.7Å; V564-M567 HydrophobicContact CG1-CG 3.69Å; V564-M567 HydrophobicContact CG1-SD 4.33Å
565R91.5Very high87.1Confident102 Ų10262.6 Ų62.639%0.38534%0.336SS..EExtended strand (participates in β ladder)trans-88.1-36.8-178.2-84.2-68178.5-176.7-4.3112.8H508 V551 R553 I563H508-R565 PolarHBondContact CE1-NH1 3.32Å; V551-R565 HydrophobicContact CG1-CB 4.4Å; V551-R565 PolarHBondContact O-N 3.48Å; R553-R565 HydrophobicContact CB-CG 3.53Å; I563-R565 PolarHBondContact O-N 3.36Å
566A90.3Very high87.4Confident18 Ų1861.6 Ų61.615%0.14933%0.329CS..EExtended strand (participates in β ladder)trans-152.3149.9176.500000110.2C550 V551 H568C550-A566 WeakPolarHBondContact CA-O 3.33Å; V551-A566 HydrophobicContact CB-CB 4.16Å; V551-A566 HydrophobicContact CG2-CB 4.07Å; V551-A566 PolarHBondContact N-O 3.15Å; V551-A566 PolarHBondContact O-N 3.17Å; A566-H568 WeakPolarHBondContact CB-NE2 3.25Å
567M92Very high88.3Confident113 Ų11356.2 Ų56.256%0.55731%0.307SS*.EExtended strand (participates in β ladder)trans-128.1107.3163.8-58.8-162-41.200107.2C550 V564C550-M567 HydrophobicContact CB-CG 4.44Å; V564-M567 HydrophobicContact CG1-CG 3.69Å; V564-M567 HydrophobicContact CG1-SD 4.33Å
568H93.1Very high89.1Confident22 Ų2253.7 Ų53.710%0.10230%0.299CS..EExtended strand (participates in β ladder)trans-99.8118.3-178.3-61.5-65.1000108.8C548 L549 A566 L570 F590 E605C548-H568 CarbonylContact C-O 3.59Å; C548-H568 VanDerWaalsContact CA-O 3.31Å; C548-H568 WeakPolarHBondContact CA-O 3.44Å; L549-H568 PolarHBondContact N-O 3.31Å; L549-H568 PolarHBondContact O-N 3.31Å; A566-H568 WeakPolarHBondContact CB-NE2 3.25Å; H568-L570 PolarHBondContact O-N 3.23Å; H568-F590 HydrophobicContact CB-CD1 3.74Å; H568-F590 HydrophobicContact CB-CE1 3.36Å; H568-F590 HydrophobicContact CB-CZ 4.17Å; H568-F590 AromaticContact CD2-CE1 3.4Å; H568-F590 VanDerWaalsContact CD2-CE1 3.4Å; H568-F590 WeakPolarHBondContact CD2-CE1 3.49Å; H568-F590 AromaticContact CD2-CE2 3.87Å; H568-F590 AromaticContact CD2-CZ 3.27Å; H568-F590 WeakPolarHBondContact CD2-CZ 3.39Å; H568-F590 AromaticContact CG-CD1 3.66Å; H568-F590 AromaticContact CG-CE1 3.3Å; H568-F590 AromaticContact CG-CZ 3.69Å; H568-F590 AromaticContact ND1-CD1 3.82Å; H568-F590 AromaticContact ND1-CE1 3.91Å; H568-F590 AromaticContact NE2-CE1 4Å; H568-F590 AromaticContact NE2-CE2 3.68Å; H568-F590 AromaticContact NE2-CZ 3.59Å; H568-E605 IonicContact CD2-OE2 3.85Å; H568-E605 IonicContact CE1-OE1 2.82Å; H568-E605 PolarHBondContact CE1-OE1 3.14Å; H568-E605 IonicContact NE2-OE1 2.99Å; H568-E605 PolarHBondContact NE2-OE1 3.07Å; H568-E605 VanDerWaalsContact NE2-OE1 3.15Å; H568-E605 IonicContact NE2-OE2 3.15Å; H568-E605 PolarHBondContact NE2-OE2 2.82Å
569P92Very high89.3Confident56 Ų5655.8 Ų55.836%0.36430%0.3SS..EExtended strand (participates in β ladder)trans-53.6138.7168.9-2433.9000109.9D547 S571 S572D547-P569 CarbonylContact O-C 3.55Å; P569-S571 PolarHBondContact O-N 3.2Å; P569-S571 VanDerWaalsContact O-N 3.12Å; P569-S572 WeakPolarHBondContact O-CB 3.45Å; P569-S572 PolarHBondContact O-N 3.14Å; P569-S572 PolarHBondContact O-OG 3.28Å
570L91.3Very high89.6Confident9 Ų960.5 Ų60.55%0.04731%0.312CS..G310 helixtrans-59.4-28.2178.7-70.1-178.5000111.9L544 D547 L549 H568 S572 I573 V619 A622 I623L544-L570 HydrophobicContact CD1-CD1 3.96Å; L544-L570 HydrophobicContact CD1-CD2 3.64Å; L544-L570 HydrophobicContact CD1-CG 4.31Å; D547-L570 WeakPolarHBondContact O-CG 3.47Å; D547-L570 PolarHBondContact O-N 3.05Å; L549-L570 HydrophobicContact CB-CD2 4.03Å; H568-L570 PolarHBondContact O-N 3.23Å; L570-S572 VanDerWaalsContact C-N 3.27Å; L570-S572 PolarHBondContact O-N 3.31Å; L570-I573 HydrophobicContact CD2-CD1 3.72Å; L570-I573 WeakPolarHBondContact O-CB 3.21Å; L570-I573 PolarHBondContact O-N 3.35Å; L570-V619 HydrophobicContact CD2-CG1 4.23Å; L570-A622 HydrophobicContact CD1-CB 3.64Å; L570-I623 HydrophobicContact CB-CG1 4.02Å; L570-I623 HydrophobicContact CD2-CG1 4.23Å
571S89.1Confident89.3Confident112 Ų11257.9 Ų57.978%0.78330%0.298SS*.G310 helixtrans-66.4-21.8173.159.30000114.4P569P569-S571 PolarHBondContact O-N 3.2Å; P569-S571 VanDerWaalsContact O-N 3.12Å
572S91Very high89.1Confident22 Ų2253.9 Ų53.915%0.15428%0.279CS..G310 helixtrans-82.2-17.2176.178.20000112.5P569 L570 G574 F590 H591P569-S572 WeakPolarHBondContact O-CB 3.45Å; P569-S572 PolarHBondContact O-N 3.14Å; P569-S572 PolarHBondContact O-OG 3.28Å; L570-S572 VanDerWaalsContact C-N 3.27Å; L570-S572 PolarHBondContact O-N 3.31Å; S572-G574 PolarHBondContact O-N 3.49Å; S572-F590 CarbonylContact O-C 3.53Å; S572-F590 VanDerWaalsContact O-CA 3.31Å; S572-F590 WeakPolarHBondContact O-CA 3.48Å; S572-H591 PolarHBondContact O-N 3.19Å
573I92.1Very high88.8Confident16 Ų1656.4 Ų56.48%0.08230%0.295CS..EExtended strand (participates in β ladder)trans-70.4103.6178.1-58.9176.3000109L549 L570 I576 F588 F590 V619 I623L549-I573 HydrophobicContact CB-CD1 4.05Å; L549-I573 HydrophobicContact CD2-CD1 3.88Å; L570-I573 HydrophobicContact CD2-CD1 3.72Å; L570-I573 WeakPolarHBondContact O-CB 3.21Å; L570-I573 PolarHBondContact O-N 3.35Å; I573-I576 HydrophobicContact CG2-CD1 3.96Å; I573-I576 HydrophobicContact CG2-CG1 3.58Å; I573-F588 HydrophobicContact CG2-CD1 4.43Å; I573-F590 HydrophobicContact CD1-CE1 4.29Å; I573-F590 HydrophobicContact CG1-CD1 3.88Å; I573-F590 HydrophobicContact CG1-CE1 3.6Å; I573-V619 HydrophobicContact CD1-CG1 3.83Å; I573-I623 HydrophobicContact CB-CD1 3.97Å; I573-I623 HydrophobicContact CD1-CD1 4.15Å; I573-I623 HydrophobicContact CG2-CD1 3.9Å
574G87.3Confident88.5Confident30 Ų3058.5 Ų58.531%0.30930%0.304SS..EExtended strand (participates in β ladder)trans-78.7-46.4177.300000113.4S572 T589 H591S572-G574 PolarHBondContact O-N 3.49Å; G574-T589 WeakPolarHBondContact CA-O 3.24Å; G574-T589 PolarHBondContact N-O 2.92Å; G574-H591 WeakPolarHBondContact CA-CE1 3.47Å; G574-H591 WeakPolarHBondContact CA-ND1 3.32Å
575K90.5Very high88.4Confident109 Ų10956.8 Ų56.847%0.47429%0.294SS..EExtended strand (participates in β ladder)trans-144.8142-174.4-153.9-176.7-175.31800110.2T577 T589K575-T577 HydrophobicContact CD-CG2 3.53Å; K575-T577 HydrophobicContact CG-CG2 3.78Å; K575-T589 PolarHBondContact N-O 2.72Å; K575-T589 PolarHBondContact O-N 3.43Å
576I92.2Very high88.6Confident19 Ų1952 Ų5210%0.09728%0.276CS..EExtended strand (participates in β ladder)trans-124.7108.3167.9-50.7171.4000106.6I573 S587 F588 A616 V619 K620 I623I573-I576 HydrophobicContact CG2-CD1 3.96Å; I573-I576 HydrophobicContact CG2-CG1 3.58Å; I576-S587 WeakPolarHBondContact CA-O 3.48Å; I576-F588 HydrophobicContact CD1-CD1 4.2Å; I576-F588 HydrophobicContact CD1-CE1 3.82Å; I576-F588 HydrophobicContact CG1-CD1 3.79Å; I576-F588 HydrophobicContact CG1-CE1 3.85Å; I576-F588 HydrophobicContact CG2-CD1 4.23Å; I576-F588 HydrophobicContact CG2-CE1 3.91Å; I576-F588 HydrophobicContact CG2-CZ 4.11Å; I576-A616 HydrophobicContact CG2-CB 4.32Å; I576-V619 HydrophobicContact CD1-CB 4.07Å; I576-V619 HydrophobicContact CD1-CG1 3.67Å; I576-K620 HydrophobicContact CD1-CG 3.89Å; I576-I623 HydrophobicContact CD1-CD1 4.07Å
577T90.6Very high88.7Confident37 Ų3751.4 Ų51.423%0.22727%0.271CS..EExtended strand (participates in β ladder)trans-110.1146.8178.552.40000111.1K575 S587K575-T577 HydrophobicContact CD-CG2 3.53Å; K575-T577 HydrophobicContact CG-CG2 3.78Å; T577-S587 PolarHBondContact N-O 3.24Å; T577-S587 PolarHBondContact O-N 3.15Å; T577-S587 WeakPolarHBondContact OG1-CB 2.97Å
578S88Confident88.8Confident68 Ų6846 Ų4648%0.47625%0.245SC..EExtended strand (participates in β ladder)trans-126.4135.9160.661.10000106
579R81Confident88.8Confident74 Ų7446 Ų4628%0.27925%0.246SC..  trans-73.3145.6174.1-64.8-59.6-174.5167.82.4109.5E225 D226 D229 M581 F582E225-R579 PolarHBondContact O-NH2 3.19Å; D226-R579 WeakPolarHBondContact OD1-CB 3.26Å; D226-R579 WeakPolarHBondContact OD1-CD 3.32Å; D226-R579 WeakPolarHBondContact OD1-CG 3.25Å; D229-R579 HydrophobicContact CB-CG 4.33Å; D229-R579 WeakPolarHBondContact OD2-CG 3.5Å; D229-R579 IonicContact OD2-CZ 3.46Å; D229-R579 IonicContact OD2-NE 3.03Å; D229-R579 PolarHBondContact OD2-NE 3.17Å; R579-M581 PolarHBondContact O-N 3.06Å; R579-F582 HydrophobicContact CB-CB 4.26Å; R579-F582 HydrophobicContact CB-CD2 3.93Å; R579-F582 HydrophobicContact CG-CD2 4.34Å; R579-F582 CarbonylContact O-C 3.58Å; R579-F582 PolarHBondContact O-N 3.5Å; R579-F582 VanDerWaalsContact O-N 3.15Å
580R79.2Confident88.8Confident237 Ų23743.7 Ų43.789%0.89423%0.23SC*.SBendtrans-58.6-42178.1177.2-178175.7-175.7-1.2110.6
581M79.3Confident88.5Confident17 Ų1748.9 Ų48.98%0.08425%0.254CS..SBendtrans-67.1-50.2174.6-72.7-59.6-7400109.5N195 Q221 R579 P583N195-M581 VanDerWaalsContact ND2-C 3.34Å; N195-M581 PolarHBondContact ND2-O 2.97Å; N195-M581 PolarHBondContact OD1-O 3.19Å; Q221-M581 HydrophobicContact CB-CE 3.66Å; Q221-M581 HydrophobicContact CB-SD 3.57Å; Q221-M581 VanDerWaalsContact CB-SD 3.57Å; R579-M581 PolarHBondContact O-N 3.06Å; M581-P583 VanDerWaalsContact C-CD 3.43Å; M581-P583 WeakPolarHBondContact O-CD 3.42Å
582F85.4Confident87.5Confident3 Ų345.5 Ų45.51%0.01324%0.236CC..  trans-105.376.1-174.2-44-64.3000113.4V191 N195 L222 D226 D229 F230 L233 R579 E584 L585V191-F582 HydrophobicContact CG1-CE1 4.1Å; N195-F582 HydrophobicContact CB-CD1 4.49Å; N195-F582 WeakPolarHBondContact OD1-CD1 3.29Å; L222-F582 HydrophobicContact CD1-CE2 4.43Å; L222-F582 HydrophobicContact CD1-CZ 3.91Å; D226-F582 HydrophobicContact CB-CE2 3.87Å; D226-F582 WeakPolarHBondContact O-CE2 3.43Å; D229-F582 HydrophobicContact CB-CD2 4.01Å; D229-F582 HydrophobicContact CB-CE2 4.35Å; F230-F582 HydrophobicContact CB-CE1 4.46Å; F230-F582 HydrophobicContact CB-CE2 3.82Å; F230-F582 HydrophobicContact CB-CZ 3.52Å; F230-F582 AromaticContact CD2-CE1 3.9Å; F230-F582 HydrophobicContact CD2-CE1 3.9Å; F230-F582 AromaticContact CD2-CZ 3.59Å; F230-F582 HydrophobicContact CD2-CZ 3.59Å; F230-F582 HydrophobicContact CG-CZ 4.02Å; L233-F582 HydrophobicContact CD1-CB 4.05Å; L233-F582 HydrophobicContact CD1-CD1 3.37Å; L233-F582 HydrophobicContact CD1-CE1 4.02Å; L233-F582 HydrophobicContact CD1-CG 3.74Å; R579-F582 HydrophobicContact CB-CB 4.26Å; R579-F582 HydrophobicContact CB-CD2 3.93Å; R579-F582 HydrophobicContact CG-CD2 4.34Å; R579-F582 CarbonylContact O-C 3.58Å; R579-F582 PolarHBondContact O-N 3.5Å; R579-F582 VanDerWaalsContact O-N 3.15Å; F582-E584 PolarHBondContact O-N 3.24Å; F582-L585 HydrophobicContact CB-CB 4.05Å; F582-L585 PolarHBondContact O-N 3.35Å
583P84.7Confident86.1Confident54 Ų5452.3 Ų52.335%0.35127%0.266SS..THydrogen-bonded Turntrans-66.2-27-17628-36.3000112.8M581 L585 A612M581-P583 VanDerWaalsContact C-CD 3.43Å; M581-P583 WeakPolarHBondContact O-CD 3.42Å; P583-L585 VanDerWaalsContact C-N 3.28Å; P583-L585 PolarHBondContact O-N 3.12Å; P583-A612 WeakPolarHBondContact O-CB 3.39Å
584E86.4Confident84.4Confident72 Ų7256.2 Ų56.234%0.33629%0.291SS..THydrogen-bonded Turntrans-73.2-21.3-179.6-20.9-62.5173.200112.4F582 V608 V609F582-E584 PolarHBondContact O-N 3.24Å; E584-V608 HydrophobicContact CB-CG1 4.5Å; E584-V608 WeakPolarHBondContact O-CA 3.5Å; E584-V609 PolarHBondContact O-N 2.71Å
585L90.4Very high82.8Confident3 Ų362.8 Ų62.82%0.01631%0.31CS..EExtended strand (participates in β ladder)trans-92.8105.3-178.3-17867000109.6D229 L531 F582 P583 R606 Y607 V608D229-L585 HydrophobicContact CB-CD2 3.58Å; L531-L585 HydrophobicContact CD1-CD1 3.55Å; L531-L585 HydrophobicContact CG-CD1 4.49Å; F582-L585 HydrophobicContact CB-CB 4.05Å; F582-L585 PolarHBondContact O-N 3.35Å; P583-L585 VanDerWaalsContact C-N 3.28Å; P583-L585 PolarHBondContact O-N 3.12Å; L585-R606 HydrophobicContact CD1-CB 4.19Å; L585-Y607 WeakPolarHBondContact CA-O 3.38Å; L585-V608 HydrophobicContact CD1-CG2 4.21Å
586L94.4Very high81.1Confident1 Ų165.7 Ų65.71%0.00533%0.331CS..EExtended strand (participates in β ladder)trans-91.7129.6172.4-64.9-174.5000110.4F588 R606 Y607 V609 A612 C615 A616L586-F588 HydrophobicContact CB-CD2 4.38Å; L586-F588 HydrophobicContact CB-CE2 3.76Å; L586-F588 HydrophobicContact CD1-CE2 4.18Å; L586-F588 HydrophobicContact CD1-CZ 4.25Å; L586-R606 CarbonylContact O-C 3.53Å; L586-R606 WeakPolarHBondContact O-CA 3.25Å; L586-Y607 PolarHBondContact N-O 2.86Å; L586-Y607 PolarHBondContact O-N 3.21Å; L586-V609 HydrophobicContact CD1-CB 4.42Å; L586-V609 HydrophobicContact CD1-CG2 4.02Å; L586-V609 HydrophobicContact CG-CG2 4.29Å; L586-A612 HydrophobicContact CD1-CB 4.16Å; L586-A612 HydrophobicContact CD2-CB 3.92Å; L586-A612 HydrophobicContact CG-CB 3.83Å; L586-C615 HydrophobicContact CD1-CB 3.98Å; L586-A616 HydrophobicContact CD1-CB 4.29Å; L586-A616 HydrophobicContact CD2-CB 4.12Å
587S92.9Very high79.5Confident6 Ų668.3 Ų68.34%0.04236%0.363CS..EExtended strand (participates in β ladder)trans-110.3124.5170.1-55.10000109.5I576 T577 E605I576-S587 WeakPolarHBondContact CA-O 3.48Å; T577-S587 PolarHBondContact N-O 3.24Å; T577-S587 PolarHBondContact O-N 3.15Å; T577-S587 WeakPolarHBondContact OG1-CB 2.97Å; S587-E605 WeakPolarHBondContact CA-O 3.38Å
588F94.4Very high77.9Confident0 Ų074.4 Ų74.40%039%0.389CS..EExtended strand (participates in β ladder)trans-105.5122.2174.4-67.5-100.2000108.6L542 L549 I573 I576 L586 F590 V604 E605 Y607 V619L542-F588 HydrophobicContact CD1-CE2 4.05Å; L542-F588 HydrophobicContact CD1-CZ 4.33Å; L549-F588 HydrophobicContact CD2-CD1 3.83Å; L549-F588 HydrophobicContact CD2-CE1 3.64Å; L549-F588 HydrophobicContact CD2-CZ 4.22Å; I573-F588 HydrophobicContact CG2-CD1 4.43Å; I576-F588 HydrophobicContact CD1-CD1 4.2Å; I576-F588 HydrophobicContact CD1-CE1 3.82Å; I576-F588 HydrophobicContact CG1-CD1 3.79Å; I576-F588 HydrophobicContact CG1-CE1 3.85Å; I576-F588 HydrophobicContact CG2-CD1 4.23Å; I576-F588 HydrophobicContact CG2-CE1 3.91Å; I576-F588 HydrophobicContact CG2-CZ 4.11Å; L586-F588 HydrophobicContact CB-CD2 4.38Å; L586-F588 HydrophobicContact CB-CE2 3.76Å; L586-F588 HydrophobicContact CD1-CE2 4.18Å; L586-F588 HydrophobicContact CD1-CZ 4.25Å; F588-F590 HydrophobicContact CB-CD2 4.35Å; F588-F590 HydrophobicContact CB-CE1 4.37Å; F588-F590 HydrophobicContact CB-CE2 3.5Å; F588-F590 HydrophobicContact CB-CZ 3.51Å; F588-F590 HydrophobicContact CD1-CZ 4.47Å; F588-F590 HydrophobicContact CG-CZ 4.23Å; F588-V604 WeakPolarHBondContact O-CA 3.25Å; F588-E605 PolarHBondContact N-O 2.74Å; F588-E605 PolarHBondContact O-N 3.35Å; F588-Y607 AromaticContact CD2-CD2 3.7Å; F588-Y607 HydrophobicContact CD2-CD2 3.7Å; F588-Y607 AromaticContact CD2-CE2 3.97Å; F588-Y607 HydrophobicContact CD2-CE2 3.97Å; F588-Y607 AromaticContact CE2-CD2 3.99Å; F588-Y607 HydrophobicContact CE2-CD2 3.99Å; F588-V619 HydrophobicContact CE1-CG1 4.23Å; F588-V619 HydrophobicContact CE1-CG2 4.49Å
589T93.4Very high76.5Confident21 Ų2179.9 Ų79.913%0.12941%0.407CS..EExtended strand (participates in β ladder)trans-102.1118.6173.4-50.30000108.5G574 K575 P602 K603 V604G574-T589 WeakPolarHBondContact CA-O 3.24Å; G574-T589 PolarHBondContact N-O 2.92Å; K575-T589 PolarHBondContact N-O 2.72Å; K575-T589 PolarHBondContact O-N 3.43Å; T589-P602 HydrophobicContact CG2-CB 3.62Å; T589-K603 CarbonylContact C-O 3.52Å; T589-K603 WeakPolarHBondContact CA-O 3.32Å; T589-V604 HydrophobicContact CG2-CG2 4.22Å
590F91.8Very high75.8Confident8 Ų878.9 Ų78.94%0.03541%0.414CS..EExtended strand (participates in β ladder)trans-104.8131.5179.2-55.4-85.8000110.1H568 S572 I573 F588 P602 K603 E605H568-F590 HydrophobicContact CB-CD1 3.74Å; H568-F590 HydrophobicContact CB-CE1 3.36Å; H568-F590 HydrophobicContact CB-CZ 4.17Å; H568-F590 AromaticContact CD2-CE1 3.4Å; H568-F590 VanDerWaalsContact CD2-CE1 3.4Å; H568-F590 WeakPolarHBondContact CD2-CE1 3.49Å; H568-F590 AromaticContact CD2-CE2 3.87Å; H568-F590 AromaticContact CD2-CZ 3.27Å; H568-F590 WeakPolarHBondContact CD2-CZ 3.39Å; H568-F590 AromaticContact CG-CD1 3.66Å; H568-F590 AromaticContact CG-CE1 3.3Å; H568-F590 AromaticContact CG-CZ 3.69Å; H568-F590 AromaticContact ND1-CD1 3.82Å; H568-F590 AromaticContact ND1-CE1 3.91Å; H568-F590 AromaticContact NE2-CE1 4Å; H568-F590 AromaticContact NE2-CE2 3.68Å; H568-F590 AromaticContact NE2-CZ 3.59Å; S572-F590 CarbonylContact O-C 3.53Å; S572-F590 VanDerWaalsContact O-CA 3.31Å; S572-F590 WeakPolarHBondContact O-CA 3.48Å; I573-F590 HydrophobicContact CD1-CE1 4.29Å; I573-F590 HydrophobicContact CG1-CD1 3.88Å; I573-F590 HydrophobicContact CG1-CE1 3.6Å; F588-F590 HydrophobicContact CB-CD2 4.35Å; F588-F590 HydrophobicContact CB-CE1 4.37Å; F588-F590 HydrophobicContact CB-CE2 3.5Å; F588-F590 HydrophobicContact CB-CZ 3.51Å; F588-F590 HydrophobicContact CD1-CZ 4.47Å; F588-F590 HydrophobicContact CG-CZ 4.23Å; F590-P602 WeakPolarHBondContact O-CA 3.43Å; F590-K603 HydrophobicContact CB-CB 4.47Å; F590-K603 PolarHBondContact N-O 3.35Å; F590-K603 PolarHBondContact O-N 3.19Å; F590-E605 HydrophobicContact CD2-CG 4.33Å; F590-E605 HydrophobicContact CE2-CB 4.02Å; F590-E605 HydrophobicContact CE2-CG 3.93Å
591H85.3Confident75.6Confident118 Ų11871.3 Ų71.355%0.54640%0.398SS..PPolyproline II helixtrans-82.7127.7171.1-60.3117.9000109.3S572 G574S572-H591 PolarHBondContact O-N 3.19Å; G574-H591 WeakPolarHBondContact CA-CE1 3.47Å; G574-H591 WeakPolarHBondContact CA-ND1 3.32Å
592G67.4Low75.7Confident40 Ų4073 Ų7341%0.41241%0.41SS..PPolyproline II helixtrans-71.9150.717400000111.8T594G592-T594 PolarHBondContact O-N 3.38Å
593E60.6Low75.9Confident166 Ų16678.3 Ų78.378%0.77643%0.433SS*.PPolyproline II helixtrans-66.7124.7169-68.2-176.6160.700109.5K595E593-K595 PolarHBondContact O-N 2.93Å
594T57Low76.1Confident98 Ų9877.6 Ų77.660%0.60143%0.428SS*.  trans-63.4105.7177.828.60000110.3G592G592-T594 PolarHBondContact O-N 3.38Å
595K54.4Low76.4Confident167 Ų16774.9 Ų74.973%0.72642%0.415SS*.SBendtrans-97.9119.6168.2-71.9-177179.71730108.6E593 G597E593-K595 PolarHBondContact O-N 2.93Å; K595-G597 PolarHBondContact O-N 2.97Å
596N54.8Low76.6Confident170 Ų17076.8 Ų76.891%0.90942%0.422SS*.THydrogen-bonded Turntrans64.528.1174.5-62.3-19.1000117.5E598N596-E598 VanDerWaalsContact C-N 3.34Å; N596-E598 PolarHBondContact O-N 3.5Å
597G58.6Low76.6Confident74 Ų7476.7 Ų76.776%0.76342%0.422SS*.THydrogen-bonded Turntrans81.44167.100000116.3K595K595-G597 PolarHBondContact O-N 2.97Å
598E56.2Low76.5Confident165 Ų16577.9 Ų77.977%0.77143%0.428SS*.SBendtrans-98.2131.4164.3-71.1-17916300109.2N596 A600N596-E598 VanDerWaalsContact C-N 3.34Å; N596-E598 PolarHBondContact O-N 3.5Å; E598-A600 PolarHBondContact O-N 3.18Å
599E58Low76.4Confident183 Ų18377.9 Ų77.986%0.85543%0.429SS*.  trans-67.8115.3175.9-78.2-179.616100109.4
600A67.4Low75.8Confident53 Ų5384.8 Ų84.844%0.43846%0.459SS..PPolyproline II helixtrans-63.8135.5173.600000109.7E598E598-A600 PolarHBondContact O-N 3.18Å
601S74.3Confident75.5Confident78 Ų7890.9 Ų90.955%0.54549%0.486SS..PPolyproline II helixtrans-57.7137.4178.550.80000110.5K603S601-K603 PolarHBondContact O-N 2.65Å
602P82.1Confident75.7Confident52 Ų5285.5 Ų85.534%0.33846%0.461SS..PPolyproline II helixtrans-63.1130.6-179.524.2-32000110V494 T589 F590V494-P602 HydrophobicContact CG1-CG 4.16Å; T589-P602 HydrophobicContact CG2-CB 3.62Å; F590-P602 WeakPolarHBondContact O-CA 3.43Å
603K88.8Confident76.8Confident116 Ų11686.3 Ų86.350%0.50447%0.47SS..EExtended strand (participates in β ladder)trans-85.5124.7176.4-171.1-173.9-173.4-163.80109T589 F590 S601 E605T589-K603 CarbonylContact C-O 3.52Å; T589-K603 WeakPolarHBondContact CA-O 3.32Å; F590-K603 HydrophobicContact CB-CB 4.47Å; F590-K603 PolarHBondContact N-O 3.35Å; F590-K603 PolarHBondContact O-N 3.19Å; S601-K603 PolarHBondContact O-N 2.65Å; K603-E605 HydrophobicContact CD-CG 4.46Å; K603-E605 WeakPolarHBondContact CE-OE1 3.5Å; K603-E605 HydrophobicContact CG-CG 4.48Å; K603-E605 IonicContact NZ-OE1 2.7Å; K603-E605 PolarHBondContact NZ-OE1 3.2Å
604V90Very high78.3Confident38 Ų3882.8 Ų82.823%0.2346%0.456CS..EExtended strand (participates in β ladder)trans-106123.4175.6-175.60000109.9F588 T589 R606F588-V604 WeakPolarHBondContact O-CA 3.25Å; T589-V604 HydrophobicContact CG2-CG2 4.22Å; V604-R606 HydrophobicContact CG1-CG 4.33Å
605E92.9Very high80.1Confident15 Ų1578.1 Ų78.17%0.0743%0.428CS..EExtended strand (participates in β ladder)trans-117.9139.1172.3-58.8179.9173.800109.9H568 S587 F588 F590 K603 Y607H568-E605 IonicContact CD2-OE2 3.85Å; H568-E605 IonicContact CE1-OE1 2.82Å; H568-E605 PolarHBondContact CE1-OE1 3.14Å; H568-E605 IonicContact NE2-OE1 2.99Å; H568-E605 PolarHBondContact NE2-OE1 3.07Å; H568-E605 VanDerWaalsContact NE2-OE1 3.15Å; H568-E605 IonicContact NE2-OE2 3.15Å; H568-E605 PolarHBondContact NE2-OE2 2.82Å; S587-E605 WeakPolarHBondContact CA-O 3.38Å; F588-E605 PolarHBondContact N-O 2.74Å; F588-E605 PolarHBondContact O-N 3.35Å; F590-E605 HydrophobicContact CD2-CG 4.33Å; F590-E605 HydrophobicContact CE2-CB 4.02Å; F590-E605 HydrophobicContact CE2-CG 3.93Å; K603-E605 HydrophobicContact CD-CG 4.46Å; K603-E605 WeakPolarHBondContact CE-OE1 3.5Å; K603-E605 HydrophobicContact CG-CG 4.48Å; K603-E605 IonicContact NZ-OE1 2.7Å; K603-E605 PolarHBondContact NZ-OE1 3.2Å; E605-Y607 HydrophobicContact CB-CE2 3.59Å; E605-Y607 PolarHBondContact OE2-OH 2.64Å
606R93.2Very high81.9Confident43 Ų4370.7 Ų70.716%0.16240%0.398CS..EExtended strand (participates in β ladder)trans-121.6140.1-172.7-68.9-179.4176.992.4-6.3111.4D229 Q232 L531 L585 L586 V604D229-R606 IonicContact OD1-CZ 3.96Å; D229-R606 IonicContact OD1-NE 3.64Å; D229-R606 PolarHBondContact OD1-NE 2.85Å; D229-R606 IonicContact OD1-NH2 3Å; Q232-R606 VanDerWaalsContact CD-CD 3.5Å; Q232-R606 VanDerWaalsContact NE2-CD 3.3Å; Q232-R606 VanDerWaalsContact NE2-NE 3.16Å; L531-R606 HydrophobicContact CB-CB 4.27Å; L531-R606 PolarHBondContact N-O 3.13Å; L585-R606 HydrophobicContact CD1-CB 4.19Å; L586-R606 CarbonylContact O-C 3.53Å; L586-R606 WeakPolarHBondContact O-CA 3.25Å; V604-R606 HydrophobicContact CG1-CG 4.33Å
607Y94.7Very high83.7Confident0 Ų068.6 Ų68.60%038%0.381CS..EExtended strand (participates in β ladder)trans-140.3130.4-174.1-58.4-88.1000110.5K529 Q530 L542 V551 L585 L586 F588 E605K529-Y607 WeakPolarHBondContact O-CA 3.29Å; Q530-Y607 HydrophobicContact CB-CD1 3.88Å; Q530-Y607 HydrophobicContact CB-CE1 3.68Å; Q530-Y607 HydrophobicContact CG-CD1 4.15Å; Q530-Y607 HydrophobicContact CG-CE1 3.61Å; Q530-Y607 PolarHBondContact NE2-OH 3.48Å; L542-Y607 HydrophobicContact CD1-CD1 4.26Å; L542-Y607 HydrophobicContact CD1-CD2 4.23Å; L542-Y607 HydrophobicContact CD1-CG 3.96Å; L542-Y607 HydrophobicContact CD2-CD1 4.25Å; L542-Y607 HydrophobicContact CD2-CD2 4.46Å; L542-Y607 HydrophobicContact CD2-CE1 4.01Å; L542-Y607 HydrophobicContact CD2-CE2 4.23Å; L542-Y607 HydrophobicContact CD2-CG 4.49Å; L542-Y607 HydrophobicContact CG-CD1 4.3Å; L542-Y607 HydrophobicContact CG-CG 4.48Å; V551-Y607 HydrophobicContact CG1-CE1 4.03Å; V551-Y607 WeakPolarHBondContact CG2-OH 3.25Å; L585-Y607 WeakPolarHBondContact CA-O 3.38Å; L586-Y607 PolarHBondContact N-O 2.86Å; L586-Y607 PolarHBondContact O-N 3.21Å; F588-Y607 AromaticContact CD2-CD2 3.7Å; F588-Y607 HydrophobicContact CD2-CD2 3.7Å; F588-Y607 AromaticContact CD2-CE2 3.97Å; F588-Y607 HydrophobicContact CD2-CE2 3.97Å; F588-Y607 AromaticContact CE2-CD2 3.99Å; F588-Y607 HydrophobicContact CE2-CD2 3.99Å; E605-Y607 HydrophobicContact CB-CE2 3.59Å; E605-Y607 PolarHBondContact OE2-OH 2.64Å
608V90.7Very high85.3Confident30 Ų3068.2 Ų68.218%0.18236%0.36CS..EExtended strand (participates in β ladder)trans-86.2115.5166.3-1770000107.7L233 C528 K529 L531 E584 L585L233-V608 HydrophobicContact CD2-CG2 4.12Å; C528-V608 VanDerWaalsContact CA-O 3.28Å; C528-V608 WeakPolarHBondContact CA-O 3.33Å; C528-V608 WeakPolarHBondContact CB-O 3.18Å; K529-V608 PolarHBondContact N-O 3.42Å; K529-V608 PolarHBondContact O-N 3.17Å; L531-V608 HydrophobicContact CD1-CG2 3.69Å; L531-V608 HydrophobicContact CD2-CG2 3.94Å; L531-V608 HydrophobicContact CG-CG2 3.87Å; E584-V608 HydrophobicContact CB-CG1 4.5Å; E584-V608 WeakPolarHBondContact O-CA 3.5Å; L585-V608 HydrophobicContact CD1-CG2 4.21Å
609V92.2Very high87Confident1 Ų160.4 Ų60.41%0.00632%0.323CS..EExtended strand (participates in β ladder)trans-125.4120.3-174.1-169.70000109F526 C528 L542 E584 L586 K611 A612 C615F526-V609 HydrophobicContact CB-CG1 4.31Å; C528-V609 HydrophobicContact CB-CB 4.47Å; C528-V609 HydrophobicContact CB-CG2 3.8Å; L542-V609 HydrophobicContact CD1-CG2 4.29Å; E584-V609 PolarHBondContact O-N 2.71Å; L586-V609 HydrophobicContact CD1-CB 4.42Å; L586-V609 HydrophobicContact CD1-CG2 4.02Å; L586-V609 HydrophobicContact CG-CG2 4.29Å; V609-K611 PolarHBondContact O-N 2.93Å; V609-A612 HydrophobicContact CB-CB 4.18Å; V609-A612 WeakPolarHBondContact O-CB 3.43Å; V609-A612 PolarHBondContact O-N 3.07Å; V609-C615 HydrophobicContact CG1-CB 4.01Å
610E80.8Confident88.6Confident165 Ų16554.3 Ų54.377%0.77129%0.294SS*.THydrogen-bonded Turntrans-60-34.8-178.1-65.5-168.1156.400113.1
611K86.3Confident89.7Confident137 Ų13757.1 Ų57.160%0.59630%0.298SS*.THydrogen-bonded Turntrans-111.949.4176.1-62.3-177.3-176.1171.60111.1V609 G613 D614 C615V609-K611 PolarHBondContact O-N 2.93Å; K611-G613 PolarHBondContact O-N 2.97Å; K611-D614 HydrophobicContact CB-CB 4.33Å; K611-D614 PolarHBondContact O-N 3.22Å; K611-D614 VanDerWaalsContact O-N 3.09Å; K611-C615 PolarHBondContact O-N 3.07Å
612A90.2Very high90.4Very high4 Ų454 Ų543%0.03328%0.277CS..Hα-helixtrans-51.7-40.3-176.900000113.4P583 L586 V609 D614 C615 A616P583-A612 WeakPolarHBondContact O-CB 3.39Å; L586-A612 HydrophobicContact CD1-CB 4.16Å; L586-A612 HydrophobicContact CD2-CB 3.92Å; L586-A612 HydrophobicContact CG-CB 3.83Å; V609-A612 HydrophobicContact CB-CB 4.18Å; V609-A612 WeakPolarHBondContact O-CB 3.43Å; V609-A612 PolarHBondContact O-N 3.07Å; A612-D614 PolarHBondContact O-N 2.81Å; A612-C615 PolarHBondContact O-N 3.08Å; A612-A616 VanDerWaalsContact O-CB 3.31Å; A612-A616 WeakPolarHBondContact O-CB 3.43Å; A612-A616 PolarHBondContact O-N 3.21Å
613G89.4Confident90.6Very high58 Ų5854.1 Ų54.160%0.59827%0.274SS*.Hα-helixtrans-60.7-44.4177.500000113.8K611 K617K611-G613 PolarHBondContact O-N 2.97Å; G613-K617 VanDerWaalsContact O-CB 3.28Å; G613-K617 WeakPolarHBondContact O-CB 3.2Å; G613-K617 PolarHBondContact O-N 2.78Å; G613-K617 VanDerWaalsContact O-N 3.1Å
614D92.5Very high90.4Very high91 Ų9152.9 Ų52.949%0.48727%0.273SS..Hα-helixtrans-70.7-42.7177.9-68.5-30.4000111F526 K611 A612 K617 M618F526-D614 HydrophobicContact CE1-CB 4.29Å; K611-D614 HydrophobicContact CB-CB 4.33Å; K611-D614 PolarHBondContact O-N 3.22Å; K611-D614 VanDerWaalsContact O-N 3.09Å; A612-D614 PolarHBondContact O-N 2.81Å; D614-K617 PolarHBondContact O-N 3.44Å; D614-M618 WeakPolarHBondContact O-CG 3.3Å; D614-M618 PolarHBondContact O-N 3.11Å
615C94.4Very high89.9Confident0 Ų054.9 Ų54.90%028%0.282CS..Hα-helixtrans-56.9-55.5175.9179.90000111.4F526 L586 V609 K611 A612 K617 M618 V619F526-C615 HydrophobicContact CB-CB 4.42Å; F526-C615 HydrophobicContact CD1-CB 3.74Å; F526-C615 HydrophobicContact CD2-CB 3.97Å; F526-C615 HydrophobicContact CE1-CB 3.91Å; F526-C615 HydrophobicContact CE2-CB 4.14Å; F526-C615 HydrophobicContact CG-CB 3.77Å; F526-C615 VanDerWaalsContact CZ-CA 3.46Å; F526-C615 HydrophobicContact CZ-CB 4.11Å; L586-C615 HydrophobicContact CD1-CB 3.98Å; V609-C615 HydrophobicContact CG1-CB 4.01Å; K611-C615 PolarHBondContact O-N 3.07Å; A612-C615 PolarHBondContact O-N 3.08Å; C615-K617 VanDerWaalsContact C-N 3.25Å; C615-K617 PolarHBondContact O-N 3.05Å; C615-M618 PolarHBondContact O-N 2.74Å; C615-V619 WeakPolarHBondContact O-CG2 3.33Å; C615-V619 PolarHBondContact O-N 3.49Å
616A93Very high87.9Confident12 Ų1259.9 Ų59.910%0.09932%0.316CS..Hα-helixtrans-59.7-37.8179.200000111.8I576 L586 A612 K620I576-A616 HydrophobicContact CG2-CB 4.32Å; L586-A616 HydrophobicContact CD1-CB 4.29Å; L586-A616 HydrophobicContact CD2-CB 4.12Å; A612-A616 VanDerWaalsContact O-CB 3.31Å; A612-A616 WeakPolarHBondContact O-CB 3.43Å; A612-A616 PolarHBondContact O-N 3.21Å; A616-K620 VanDerWaalsContact O-CB 3.3Å; A616-K620 WeakPolarHBondContact O-CB 3.35Å; A616-K620 WeakPolarHBondContact O-CD 3.38Å; A616-K620 WeakPolarHBondContact O-CG 3.4Å; A616-K620 PolarHBondContact O-N 3.46Å; A616-K620 VanDerWaalsContact O-N 3.09Å
617K92Very high85.9Confident126 Ų12665.4 Ų65.455%0.54835%0.348SS..Hα-helixtrans-66-46.9177.3-177.4-177.7174.7-171.30112.1G613 D614 C615 K620 Q621G613-K617 VanDerWaalsContact O-CB 3.28Å; G613-K617 WeakPolarHBondContact O-CB 3.2Å; G613-K617 PolarHBondContact O-N 2.78Å; G613-K617 VanDerWaalsContact O-N 3.1Å; D614-K617 PolarHBondContact O-N 3.44Å; C615-K617 VanDerWaalsContact C-N 3.25Å; C615-K617 PolarHBondContact O-N 3.05Å; K617-K620 PolarHBondContact O-N 3.48Å; K617-Q621 WeakPolarHBondContact O-CB 3.45Å; K617-Q621 WeakPolarHBondContact O-CG 3.36Å; K617-Q621 PolarHBondContact O-N 3.11Å
618M92.3Very high83.7Confident65 Ų6573.5 Ų73.532%0.3238%0.378SS..Hα-helixtrans-66.1-42.8-178.7-72-162.676.700112.1V523 A524 F526 D614 C615 K620 Q621 A622V523-M618 HydrophobicContact CG1-CE 4.48Å; A524-M618 HydrophobicContact CB-CE 3.55Å; A524-M618 HydrophobicContact CB-SD 3.69Å; F526-M618 HydrophobicContact CE2-CB 4.26Å; F526-M618 HydrophobicContact CE2-SD 4.37Å; F526-M618 HydrophobicContact CZ-CB 4.05Å; F526-M618 HydrophobicContact CZ-CG 4.07Å; F526-M618 HydrophobicContact CZ-SD 3.64Å; D614-M618 WeakPolarHBondContact O-CG 3.3Å; D614-M618 PolarHBondContact O-N 3.11Å; C615-M618 PolarHBondContact O-N 2.74Å; M618-K620 VanDerWaalsContact C-N 3.35Å; M618-K620 PolarHBondContact O-N 2.86Å; M618-Q621 PolarHBondContact O-N 3.46Å; M618-A622 PolarHBondContact O-N 2.9Å
619V92.8Very high83.4Confident1 Ų175.7 Ų75.71%0.00639%0.388CS..Hα-helixtrans-62.7-43.7176.1-1790000110.6L549 L570 I573 I576 F588 C615 Q621 A622 I623L549-V619 HydrophobicContact CD1-CG2 4.11Å; L570-V619 HydrophobicContact CD2-CG1 4.23Å; I573-V619 HydrophobicContact CD1-CG1 3.83Å; I576-V619 HydrophobicContact CD1-CB 4.07Å; I576-V619 HydrophobicContact CD1-CG1 3.67Å; F588-V619 HydrophobicContact CE1-CG1 4.23Å; F588-V619 HydrophobicContact CE1-CG2 4.49Å; C615-V619 WeakPolarHBondContact O-CG2 3.33Å; C615-V619 PolarHBondContact O-N 3.49Å; V619-Q621 VanDerWaalsContact C-N 3.34Å; V619-Q621 PolarHBondContact O-N 3.37Å; V619-A622 PolarHBondContact O-N 3.25Å; V619-I623 HydrophobicContact CG1-CD1 4.01Å; V619-I623 WeakPolarHBondContact O-CG1 3.44Å; V619-I623 PolarHBondContact O-N 3.24Å
620K90Very high82.9Confident56 Ų5679.6 Ų79.624%0.24341%0.408CS..Hα-helixtrans-62.8-39176.6-73.2174.3-174.7-175.10112.8F486 I576 A616 K617 M618 A622 I623 L624F486-K620 HydrophobicContact CE1-CD 3.62Å; F486-K620 HydrophobicContact CE1-CG 4.5Å; F486-K620 HydrophobicContact CZ-CB 4.29Å; F486-K620 HydrophobicContact CZ-CD 4.13Å; I576-K620 HydrophobicContact CD1-CG 3.89Å; A616-K620 VanDerWaalsContact O-CB 3.3Å; A616-K620 WeakPolarHBondContact O-CB 3.35Å; A616-K620 WeakPolarHBondContact O-CD 3.38Å; A616-K620 WeakPolarHBondContact O-CG 3.4Å; A616-K620 PolarHBondContact O-N 3.46Å; A616-K620 VanDerWaalsContact O-N 3.09Å; K617-K620 PolarHBondContact O-N 3.48Å; M618-K620 VanDerWaalsContact C-N 3.35Å; M618-K620 PolarHBondContact O-N 2.86Å; K620-A622 VanDerWaalsContact C-N 3.33Å; K620-I623 PolarHBondContact O-N 3.35Å; K620-L624 WeakPolarHBondContact O-CD1 3.43Å; K620-L624 VanDerWaalsContact O-CG 3.27Å; K620-L624 WeakPolarHBondContact O-CG 3.49Å; K620-L624 PolarHBondContact O-N 3.49Å
621Q90.2Very high83.1Confident111 Ų11174.8 Ų74.852%0.51939%0.388SS..Hα-helixtrans-63.5-41175-77178.6-22.400111.5K617 M618 V619 L624 D625K617-Q621 WeakPolarHBondContact O-CB 3.45Å; K617-Q621 WeakPolarHBondContact O-CG 3.36Å; K617-Q621 PolarHBondContact O-N 3.11Å; M618-Q621 PolarHBondContact O-N 3.46Å; V619-Q621 VanDerWaalsContact C-N 3.34Å; V619-Q621 PolarHBondContact O-N 3.37Å; Q621-L624 PolarHBondContact O-N 3.39Å; Q621-D625 PolarHBondContact O-N 3.3Å; Q621-D625 VanDerWaalsContact O-N 3.14Å
622A88.9Confident82.9Confident13 Ų1371.2 Ų71.211%0.10738%0.376CS..Hα-helixtrans-67.2-35.2177.600000113.1L544 L570 M618 V619 K620 L624L544-A622 HydrophobicContact CD1-CB 3.92Å; L544-A622 HydrophobicContact CD2-CB 3.45Å; L544-A622 VanDerWaalsContact CD2-CB 3.45Å; L544-A622 HydrophobicContact CG-CB 4.15Å; L570-A622 HydrophobicContact CD1-CB 3.64Å; M618-A622 PolarHBondContact O-N 2.9Å; V619-A622 PolarHBondContact O-N 3.25Å; K620-A622 VanDerWaalsContact C-N 3.33Å; A622-L624 VanDerWaalsContact C-N 3.3Å; A622-L624 PolarHBondContact O-N 3.5Å
623I88Confident82.4Confident55 Ų5575.4 Ų75.428%0.28240%0.397SS..Hα-helixtrans-65.3-34.4173.8-66.6163.4000111.6L570 I573 I576 V619 K620L570-I623 HydrophobicContact CB-CG1 4.02Å; L570-I623 HydrophobicContact CD2-CG1 4.23Å; I573-I623 HydrophobicContact CB-CD1 3.97Å; I573-I623 HydrophobicContact CD1-CD1 4.15Å; I573-I623 HydrophobicContact CG2-CD1 3.9Å; I576-I623 HydrophobicContact CD1-CD1 4.07Å; V619-I623 HydrophobicContact CG1-CD1 4.01Å; V619-I623 WeakPolarHBondContact O-CG1 3.44Å; V619-I623 PolarHBondContact O-N 3.24Å; K620-I623 PolarHBondContact O-N 3.35Å
624L84.1Confident81.9Confident89 Ų8976.5 Ų76.547%0.46638%0.384SS..Hα-helixtrans-89-14.1-173.5-69.5168.3000114.4F486 K620 Q621 A622 P626F486-L624 HydrophobicContact CE2-CD1 3.74Å; F486-L624 HydrophobicContact CZ-CD1 3.85Å; K620-L624 WeakPolarHBondContact O-CD1 3.43Å; K620-L624 VanDerWaalsContact O-CG 3.27Å; K620-L624 WeakPolarHBondContact O-CG 3.49Å; K620-L624 PolarHBondContact O-N 3.49Å; Q621-L624 PolarHBondContact O-N 3.39Å; A622-L624 VanDerWaalsContact C-N 3.3Å; A622-L624 PolarHBondContact O-N 3.5Å; L624-P626 WeakPolarHBondContact O-CD 3.4Å
625D78.7Confident81.2Confident80 Ų8075.5 Ų75.543%0.42838%0.377SS..  trans-79.5106.3-177.9-163.8-7.6000110Q621 L627Q621-D625 PolarHBondContact O-N 3.3Å; Q621-D625 VanDerWaalsContact O-N 3.14Å; D625-L627 PolarHBondContact O-N 3.47Å; D625-L627 PolarHBondContact OD1-N 2.7Å
626P51.5Low80.2Confident120 Ų12081.3 Ų81.378%0.77941%0.406SS*.THydrogen-bonded Turntrans-80.52.4-174.7-4.624.6000113L624L624-P626 WeakPolarHBondContact O-CD 3.4Å
627L51Low79.1Confident159 Ų15987.1 Ų87.183%0.83243%0.431SS*.THydrogen-bonded Turntrans-114.122.9-170.5-71.7171000113.6D625D625-L627 PolarHBondContact O-N 3.47Å; D625-L627 PolarHBondContact OD1-N 2.7Å
628R49.7Very low77.9Confident170 Ų17083.5 Ų83.564%0.64242%0.42SS*.  trans-99.90161.4-79.2-174.4173.4177.1-4.7111.5

Retrieved 628 of 628 residues in 365 ms (Link to these results)

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