A0A060WPF7_ONCMY Loading...

Actin alpha 1, skeletal muscle

AlphaFold DB (A0A674D1N2), UniProt , Accession A0A060WPF7, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene LOC110499273, Length 377 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
1M35.6Very low67Low243 Ų243102.9 Ų102.9100%1.19756%0.561SS**  0105.60-85168155.500103.8
2C35Very low69.6Low126 Ų12694.4 Ų94.485%0.85152%0.515SS*.PPolyproline II helixtrans-75.1139-170.9-52.60000108.1D4C2-D4 PolarHBondContact O-N 2.8Å
3D40.8Very low71.8Confident156 Ų15687.5 Ų87.583%0.83448%0.477SS*.PPolyproline II helixtrans-48.1117.3171.8-63.7-49.4000109.2D5D3-D5 PolarHBondContact O-N 2.79Å
4D44.5Very low73.5Confident153 Ų15381.9 Ų81.982%0.81845%0.447SS*.PPolyproline II helixtrans-61.5129.5156.4-78.1-35.4000105.7C2 E6C2-D4 PolarHBondContact O-N 2.8Å; D4-E6 VanDerWaalsContact C-N 3.29Å; D4-E6 PolarHBondContact O-N 2.6Å
5D45.8Very low74.9Confident161 Ų16177 Ų7786%0.86142%0.423SS*.  trans-50.382-176.2-70.4-53.6000112.8D3 T7D3-D5 PolarHBondContact O-N 2.79Å; D5-T7 VanDerWaalsContact C-N 3.33Å; D5-T7 PolarHBondContact O-N 3.32Å
6E65.8Low76.1Confident139 Ų13972.8 Ų72.865%0.6540%0.401SS*.  trans-75.890.1177.4-156.4177.4-164.200107.7D4 T8 Q355D4-E6 VanDerWaalsContact C-N 3.29Å; D4-E6 PolarHBondContact O-N 2.6Å; E6-T8 PolarHBondContact O-N 2.91Å; E6-Q355 PolarHBondContact OE1-NE2 3.23Å
7T82.1Confident77.2Confident73 Ų7369.2 Ų69.245%0.44839%0.385SS..PPolyproline II helixtrans-52.9120.3176.543.20000110.2D5 A9 E102D5-T7 VanDerWaalsContact C-N 3.33Å; D5-T7 PolarHBondContact O-N 3.32Å; T7-A9 PolarHBondContact O-N 3.08Å; T7-E102 VanDerWaalsContact CB-O 3.3Å; T7-E102 WeakPolarHBondContact CB-O 3.36Å; T7-E102 WeakPolarHBondContact CG2-O 3.44Å; T7-E102 PolarHBondContact OG1-O 3.21Å
8T93.3Very high78.3Confident70 Ų7069.6 Ų69.643%0.42939%0.385SS..PPolyproline II helixtrans-61.9128.9-174.7-48.60000111.3E6 F23 A24 H103E6-T8 PolarHBondContact O-N 2.91Å; T8-F23 HydrophobicContact CG2-CB 3.99Å; T8-F23 HydrophobicContact CG2-CD1 4.24Å; T8-A24 WeakPolarHBondContact CG2-O 3.22Å; T8-H103 PolarHBondContact O-ND1 3.31Å
9A97.3Very high79.3Confident10 Ų1065.9 Ų65.98%0.08337%0.365CS..PPolyproline II helixtrans-66.5147.7179.200000112.5T7 A24 P104 A349 W358T7-A9 PolarHBondContact O-N 3.08Å; A9-A24 HydrophobicContact CB-CB 4.05Å; A9-A24 PolarHBondContact O-N 3.18Å; A9-P104 CarbonylContact C-O 3.54Å; A9-P104 VanDerWaalsContact CA-O 3.23Å; A9-P104 WeakPolarHBondContact CA-O 3.49Å; A9-P104 HydrophobicContact CB-CB 4.13Å; A9-A349 HydrophobicContact CB-CB 4.17Å; A9-W358 HydrophobicContact CB-CH2 3.95Å; A9-W358 HydrophobicContact CB-CZ2 3.7Å
10L98.4Very high80.3Confident1 Ų164 Ų641%0.00535%0.353CS..EExtended strand (participates in β ladder)trans-89.7146.1169.6-55179.7000110.1G22 F23 F92 L96 V98 H103 P104 T105 L106L10-G22 WeakPolarHBondContact CA-O 3.43Å; L10-F23 HydrophobicContact CD2-CD1 3.65Å; L10-F23 HydrophobicContact CD2-CE1 3.52Å; L10-F23 HydrophobicContact CD2-CG 4.32Å; L10-F23 HydrophobicContact CD2-CZ 4.09Å; L10-F92 HydrophobicContact CD1-CD1 3.7Å; L10-F92 HydrophobicContact CD1-CE1 3.7Å; L10-L96 HydrophobicContact CD1-CD1 4.49Å; L10-L96 HydrophobicContact CD2-CD1 4.13Å; L10-V98 HydrophobicContact CD1-CG2 3.8Å; L10-V98 HydrophobicContact CD2-CG2 4.32Å; L10-H103 HydrophobicContact CD1-CB 3.89Å; L10-H103 HydrophobicContact CD2-CB 4.37Å; L10-H103 HydrophobicContact CG-CB 3.72Å; L10-P104 PolarHBondContact N-O 2.74Å; L10-T105 HydrophobicContact CB-CG2 4.39Å; L10-L106 PolarHBondContact O-N 2.83Å
11V98.6Very high81.2Confident0 Ų060.9 Ų60.90%034%0.336CS..EExtended strand (participates in β ladder)trans-122.5118173.3179.60000108.5A21 G22 A24 L106 W342 A349V11-A21 VanDerWaalsContact O-CA 3.26Å; V11-A21 WeakPolarHBondContact O-CA 3.36Å; V11-G22 PolarHBondContact N-O 3.42Å; V11-G22 PolarHBondContact O-N 3.12Å; V11-G22 VanDerWaalsContact O-N 3.12Å; V11-A24 HydrophobicContact CG2-CB 4.27Å; V11-L106 HydrophobicContact CG1-CD2 4.16Å; V11-L106 HydrophobicContact CG2-CB 4.4Å; V11-W342 HydrophobicContact CB-CZ2 4.43Å; V11-W342 HydrophobicContact CG1-CG 4.28Å; V11-W342 PolarHBondContact O-NE1 3.45Å; V11-A349 HydrophobicContact CG2-CB 4.13Å
12C98.4Very high84.2Confident1 Ų149.3 Ų49.31%0.00728%0.279CS..EExtended strand (participates in β ladder)trans-121.5104.1-179.4-174.90000110.7N14 L106 L107 T108C12-N14 PolarHBondContact SG-OD1 3.4Å; C12-N14 VanDerWaalsContact SG-OD1 3.34Å; C12-L106 PolarHBondContact N-O 3.36Å; C12-L107 HydrophobicContact CB-CD2 3.83Å; C12-L107 WeakPolarHBondContact O-CA 3.4Å; C12-T108 PolarHBondContact O-N 2.99Å; C12-T108 VanDerWaalsContact O-N 3.16Å
13D98.3Very high87.2Confident4 Ų444.4 Ų44.42%0.02124%0.243CC..EExtended strand (participates in β ladder)trans-86.1108.2173.1175.436.3000111G15 V19 K20 T108 V341 W342D13-G15 PolarHBondContact O-N 3.24Å; D13-G15 VanDerWaalsContact O-N 3.13Å; D13-V19 WeakPolarHBondContact O-CA 3.4Å; D13-K20 HydrophobicContact CB-CB 4.22Å; D13-K20 PolarHBondContact N-O 3.06Å; D13-K20 PolarHBondContact O-N 3.23Å; D13-K20 VanDerWaalsContact O-N 3.09Å; D13-K20 WeakPolarHBondContact OD2-CE 3.39Å; D13-K20 IonicContact OD2-NZ 3.77Å; D13-K20 PolarHBondContact OD2-NZ 3.45Å; D13-T108 VanDerWaalsContact CA-OG1 3.3Å; D13-T108 WeakPolarHBondContact CA-OG1 3.15Å; D13-T108 HydrophobicContact CB-CG2 4.1Å; D13-T108 PolarHBondContact OD1-OG1 3.15Å; D13-V341 HydrophobicContact CB-CG1 4.3Å; D13-V341 WeakPolarHBondContact OD1-CG1 3.43Å; D13-W342 HydrophobicContact CB-CB 4.24Å
14N95.5Very high89.9Confident9 Ų937.6 Ų37.65%0.04821%0.208CC..EExtended strand (participates in β ladder)trans-85.878-175.4-56.5-55000111.1C12 I73 M84 W88 L107 T108C12-N14 PolarHBondContact SG-OD1 3.4Å; C12-N14 VanDerWaalsContact SG-OD1 3.34Å; N14-I73 HydrophobicContact CB-CD1 4.26Å; N14-M84 HydrophobicContact CB-CE 4.31Å; N14-M84 WeakPolarHBondContact OD1-CE 3.5Å; N14-W88 PolarHBondContact OD1-NE1 3.2Å; N14-L107 WeakPolarHBondContact ND2-CD2 3.3Å; N14-T108 PolarHBondContact N-OG1 3.01Å; N14-T108 PolarHBondContact ND2-O 3.38Å
15G94.6Very high92.3Very high9 Ų932.7 Ų32.79%0.09319%0.194CC..  trans-81.3149.9177.400000113.5D13 G17 L18 S35D13-G15 PolarHBondContact O-N 3.24Å; D13-G15 VanDerWaalsContact O-N 3.13Å; G15-G17 VanDerWaalsContact C-N 3.29Å; G15-G17 PolarHBondContact O-N 2.92Å; G15-L18 WeakPolarHBondContact CA-O 3.23Å; G15-L18 PolarHBondContact N-O 3.21Å; G15-S35 WeakPolarHBondContact O-CB 3.46Å; G15-S35 PolarHBondContact O-OG 2.95Å
16S93.9Very high94.7Very high9 Ų927.2 Ų27.26%0.06317%0.165CC..SBendtrans-65.9-26.7177.743.40000114.7G160 R185S16-G160 PolarHBondContact OG-N 2.92Å; S16-R185 PolarHBondContact O-NH2 2.82Å
17G94.4Very high96Very high13 Ų1327.9 Ų27.913%0.13417%0.173CC..SBendtrans-106.6-39.2174.800000113.5G15 P34 S35 D159G15-G17 VanDerWaalsContact C-N 3.29Å; G15-G17 PolarHBondContact O-N 2.92Å; G17-P34 WeakPolarHBondContact O-CA 3.49Å; G17-S35 PolarHBondContact O-N 3.14Å; G17-D159 WeakPolarHBondContact CA-OD2 3.34Å
18L97Very high96.7Very high75 Ų7526.9 Ų26.939%0.39317%0.172SC..EExtended strand (participates in β ladder)trans-134.8134.2-176.7-64171.9000110.8G15 K20 V32 F33 P34 S35G15-L18 WeakPolarHBondContact CA-O 3.23Å; G15-L18 PolarHBondContact N-O 3.21Å; L18-K20 HydrophobicContact CB-CD 4.18Å; L18-K20 WeakPolarHBondContact O-CD 3.18Å; L18-K20 PolarHBondContact O-NZ 2.82Å; L18-V32 HydrophobicContact CB-CG1 4.41Å; L18-V32 HydrophobicContact CD1-CG1 4.11Å; L18-V32 HydrophobicContact CD2-CG1 4.48Å; L18-F33 WeakPolarHBondContact CA-O 3.47Å; L18-P34 HydrophobicContact CD2-CG 4.43Å; L18-S35 VanDerWaalsContact C-OG 3.23Å; L18-S35 PolarHBondContact N-OG 3.22Å
19V98.1Very high96.9Very high0 Ų024.3 Ų24.30%016%0.156CC..EExtended strand (participates in β ladder)trans-82.8138.8161.61790000108.4D13 V32 F33 S35 I87D13-V19 WeakPolarHBondContact O-CA 3.4Å; V19-V32 WeakPolarHBondContact O-CA 3.45Å; V19-F33 HydrophobicContact CB-CD1 4.38Å; V19-F33 HydrophobicContact CB-CD2 4.45Å; V19-F33 HydrophobicContact CB-CE1 3.87Å; V19-F33 HydrophobicContact CB-CE2 3.95Å; V19-F33 HydrophobicContact CB-CZ 3.64Å; V19-F33 HydrophobicContact CG1-CE1 3.84Å; V19-F33 HydrophobicContact CG1-CZ 3.76Å; V19-F33 HydrophobicContact CG2-CE2 3.98Å; V19-F33 HydrophobicContact CG2-CZ 3.97Å; V19-F33 PolarHBondContact N-O 3.03Å; V19-F33 PolarHBondContact O-N 3.37Å; V19-S35 WeakPolarHBondContact CG2-OG 3.45Å; V19-S35 PolarHBondContact N-OG 2.91Å; V19-I87 HydrophobicContact CG2-CG2 3.63Å
20K98.6Very high97Very high27 Ų2731.1 Ų31.112%0.11718%0.18CC..EExtended strand (participates in β ladder)trans-123.6126.6169.6-56.968.3143.5-149.70107.8D13 L18 P29 A31 V32 Y339 W342D13-K20 HydrophobicContact CB-CB 4.22Å; D13-K20 PolarHBondContact N-O 3.06Å; D13-K20 PolarHBondContact O-N 3.23Å; D13-K20 VanDerWaalsContact O-N 3.09Å; D13-K20 WeakPolarHBondContact OD2-CE 3.39Å; D13-K20 IonicContact OD2-NZ 3.77Å; D13-K20 PolarHBondContact OD2-NZ 3.45Å; L18-K20 HydrophobicContact CB-CD 4.18Å; L18-K20 WeakPolarHBondContact O-CD 3.18Å; L18-K20 PolarHBondContact O-NZ 2.82Å; K20-P29 HydrophobicContact CB-CB 3.85Å; K20-P29 HydrophobicContact CB-CG 4.09Å; K20-P29 HydrophobicContact CG-CG 4.35Å; K20-A31 CarbonylContact C-O 3.47Å; K20-A31 WeakPolarHBondContact CA-O 3.49Å; K20-V32 HydrophobicContact CB-CG2 4.41Å; K20-V32 HydrophobicContact CG-CG1 4.2Å; K20-V32 HydrophobicContact CG-CG2 4.04Å; K20-Y339 HydrophobicContact CG-CD1 4.2Å; K20-Y339 HydrophobicContact CG-CE1 4.43Å; K20-W342 HydrophobicContact CB-CB 4.3Å; K20-W342 HydrophobicContact CB-CG 4.2Å; K20-W342 VanDerWaalsContact O-CD1 3.31Å
21A98.7Very high97Very high0 Ų031.3 Ų31.30%018%0.182CC..EExtended strand (participates in β ladder)trans-138.6151.8-175.500000112V11 P29 R30 A31 T91 L96V11-A21 VanDerWaalsContact O-CA 3.26Å; V11-A21 WeakPolarHBondContact O-CA 3.36Å; A21-P29 CarbonylContact O-C 3.41Å; A21-R30 PolarHBondContact O-N 3.39Å; A21-A31 HydrophobicContact CB-CB 4.47Å; A21-A31 PolarHBondContact N-O 3.27Å; A21-A31 PolarHBondContact O-N 2.92Å; A21-T91 HydrophobicContact CB-CG2 3.35Å; A21-L96 HydrophobicContact CB-CD1 4.12Å; A21-L96 HydrophobicContact CB-CD2 4.43Å; A21-L96 HydrophobicContact CB-CG 4.42Å
22G98.5Very high96.9Very high0 Ų033.6 Ų33.60%020%0.195CC..EExtended strand (participates in β ladder)trans174.9-164.5178.200000111.4L10 V11L10-G22 WeakPolarHBondContact CA-O 3.43Å; V11-G22 PolarHBondContact N-O 3.42Å; V11-G22 PolarHBondContact O-N 3.12Å; V11-G22 VanDerWaalsContact O-N 3.12Å
23F98.1Very high96.9Very high22 Ų2233.6 Ų33.610%0.09620%0.195CC..EExtended strand (participates in β ladder)trans-102.3145.5-177.1-62.9-99000110T8 L10 D26 R30 L96 V98T8-F23 HydrophobicContact CG2-CB 3.99Å; T8-F23 HydrophobicContact CG2-CD1 4.24Å; L10-F23 HydrophobicContact CD2-CD1 3.65Å; L10-F23 HydrophobicContact CD2-CE1 3.52Å; L10-F23 HydrophobicContact CD2-CG 4.32Å; L10-F23 HydrophobicContact CD2-CZ 4.09Å; F23-D26 WeakPolarHBondContact O-CB 3.24Å; F23-D26 PolarHBondContact O-N 2.58Å; F23-R30 HydrophobicContact CD2-CG 4.41Å; F23-L96 HydrophobicContact CE2-CD2 4.24Å; F23-V98 HydrophobicContact CE1-CG1 3.94Å; F23-V98 HydrophobicContact CZ-CG1 3.57Å
24A97.3Very high96.9Very high13 Ų1334.4 Ų34.411%0.10720%0.2CC..THydrogen-bonded Turntrans-59.7138.5171.600000110.3T8 A9 V11 A349T8-A24 WeakPolarHBondContact CG2-O 3.22Å; A9-A24 HydrophobicContact CB-CB 4.05Å; A9-A24 PolarHBondContact O-N 3.18Å; V11-A24 HydrophobicContact CG2-CB 4.27Å; A24-A349 HydrophobicContact CB-CB 3.66Å
25G95.1Very high96.9Very high50 Ų5034 Ų3452%0.51520%0.198SC..THydrogen-bonded Turntrans91-14.3-175.100000114.9S346G25-S346 PolarHBondContact N-O 3.03Å; G25-S346 PolarHBondContact N-OG 3.34Å
26D96.3Very high97Very high46 Ų4633.6 Ų33.625%0.24619%0.194CC..  trans-74.9145.3170.8-73.3-17.6000110.3F23 A28 R30 W342 S346F23-D26 WeakPolarHBondContact O-CB 3.24Å; F23-D26 PolarHBondContact O-N 2.58Å; D26-A28 VanDerWaalsContact C-N 3.34Å; D26-A28 PolarHBondContact O-N 3.39Å; D26-R30 IonicContact OD1-NH2 2.95Å; D26-R30 PolarHBondContact OD1-NH2 3.37Å; D26-R30 WeakPolarHBondContact OD2-CG 3.32Å; D26-R30 IonicContact OD2-CZ 3.85Å; D26-R30 VanDerWaalsContact OD2-CZ 3.31Å; D26-R30 IonicContact OD2-NE 2.73Å; D26-R30 PolarHBondContact OD2-NE 3.47Å; D26-R30 IonicContact OD2-NH2 2.71Å; D26-R30 PolarHBondContact OD2-NH2 3.49Å; D26-R30 VanDerWaalsContact OD2-NH2 3.12Å; D26-W342 HydrophobicContact CB-CH2 3.86Å; D26-W342 WeakPolarHBondContact O-CH2 3.26Å; D26-W342 WeakPolarHBondContact O-CZ3 3.33Å; D26-S346 PolarHBondContact N-OG 2.9Å; D26-S346 PolarHBondContact O-OG 2.89Å
27D94.6Very high97.2Very high154 Ų15433.1 Ų33.182%0.82419%0.191SC*.SBendtrans-77.8-15.1-178.8-68.8-39.5000114
28A96Very high97.3Very high51 Ų5132.5 Ų32.542%0.42119%0.185SC..SBendtrans-151.1153.3-179.400000110.8D26 R30 W342D26-A28 VanDerWaalsContact C-N 3.34Å; D26-A28 PolarHBondContact O-N 3.39Å; A28-R30 PolarHBondContact O-N 2.83Å; A28-W342 VanDerWaalsContact C-CH2 3.42Å; A28-W342 VanDerWaalsContact O-CH2 3.27Å; A28-W342 WeakPolarHBondContact O-CH2 3.45Å; A28-W342 WeakPolarHBondContact O-CZ3 3.42Å
29P97.9Very high97.1Very high16 Ų1632.6 Ų32.610%0.10418%0.18CC..  trans-62.1135.6177.725.9-34.3000110.8K20 A21 V32 Y339 W342K20-P29 HydrophobicContact CB-CB 3.85Å; K20-P29 HydrophobicContact CB-CG 4.09Å; K20-P29 HydrophobicContact CG-CG 4.35Å; A21-P29 CarbonylContact O-C 3.41Å; P29-V32 HydrophobicContact CB-CG2 4.02Å; P29-V32 HydrophobicContact CG-CG2 3.6Å; P29-Y339 HydrophobicContact CG-CD1 4.17Å; P29-Y339 HydrophobicContact CG-CD2 4.24Å; P29-Y339 HydrophobicContact CG-CE1 4.41Å; P29-Y339 HydrophobicContact CG-CE2 4.41Å; P29-Y339 HydrophobicContact CG-CG 4.11Å; P29-W342 HydrophobicContact CB-CD2 3.73Å; P29-W342 HydrophobicContact CB-CE3 4.2Å; P29-W342 HydrophobicContact CB-CG 4.01Å; P29-W342 HydrophobicContact CB-CZ2 4.36Å; P29-W342 HydrophobicContact CG-CD2 4.28Å; P29-W342 HydrophobicContact CG-CE3 4.41Å; P29-W342 HydrophobicContact CG-CG 4.49Å
30R97.9Very high96.8Very high154 Ų15435 Ų3558%0.58120%0.195SC*.SBendtrans-70.2-33.9175.2-68.5-161.9-176.5171.72.5112.5A21 F23 D26 A28 L96A21-R30 PolarHBondContact O-N 3.39Å; F23-R30 HydrophobicContact CD2-CG 4.41Å; D26-R30 IonicContact OD1-NH2 2.95Å; D26-R30 PolarHBondContact OD1-NH2 3.37Å; D26-R30 WeakPolarHBondContact OD2-CG 3.32Å; D26-R30 IonicContact OD2-CZ 3.85Å; D26-R30 VanDerWaalsContact OD2-CZ 3.31Å; D26-R30 IonicContact OD2-NE 2.73Å; D26-R30 PolarHBondContact OD2-NE 3.47Å; D26-R30 IonicContact OD2-NH2 2.71Å; D26-R30 PolarHBondContact OD2-NH2 3.49Å; D26-R30 VanDerWaalsContact OD2-NH2 3.12Å; A28-R30 PolarHBondContact O-N 2.83Å; R30-L96 HydrophobicContact CB-CD2 4.12Å
31A98.2Very high96.2Very high5 Ų540 Ų404%0.04121%0.213CC..EExtended strand (participates in β ladder)trans-125.5133.3-17900000110.3K20 A21 F33 E95 L96K20-A31 CarbonylContact C-O 3.47Å; K20-A31 WeakPolarHBondContact CA-O 3.49Å; A21-A31 HydrophobicContact CB-CB 4.47Å; A21-A31 PolarHBondContact N-O 3.27Å; A21-A31 PolarHBondContact O-N 2.92Å; A31-F33 HydrophobicContact CB-CD1 4.5Å; A31-E95 HydrophobicContact CB-CB 3.75Å; A31-E95 HydrophobicContact CB-CG 4.25Å; A31-L96 HydrophobicContact CB-CD2 4.37Å
32V98.3Very high95.4Very high48 Ų4846.6 Ų46.629%0.29124%0.244SC..EExtended strand (participates in β ladder)trans-139113.2173-177.60000107.8L18 V19 K20 P29 Y339L18-V32 HydrophobicContact CB-CG1 4.41Å; L18-V32 HydrophobicContact CD1-CG1 4.11Å; L18-V32 HydrophobicContact CD2-CG1 4.48Å; V19-V32 WeakPolarHBondContact O-CA 3.45Å; K20-V32 HydrophobicContact CB-CG2 4.41Å; K20-V32 HydrophobicContact CG-CG1 4.2Å; K20-V32 HydrophobicContact CG-CG2 4.04Å; P29-V32 HydrophobicContact CB-CG2 4.02Å; P29-V32 HydrophobicContact CG-CG2 3.6Å; V32-Y339 HydrophobicContact CG2-CE1 4.23Å
33F98.1Very high94.1Very high1 Ų155.6 Ų55.60%0.00429%0.286CS..EExtended strand (participates in β ladder)trans-144.3156.9-175.464.6-91.3000112.1L18 V19 A31 S35 V56 I87 H90 T91 E95L18-F33 WeakPolarHBondContact CA-O 3.47Å; V19-F33 HydrophobicContact CB-CD1 4.38Å; V19-F33 HydrophobicContact CB-CD2 4.45Å; V19-F33 HydrophobicContact CB-CE1 3.87Å; V19-F33 HydrophobicContact CB-CE2 3.95Å; V19-F33 HydrophobicContact CB-CZ 3.64Å; V19-F33 HydrophobicContact CG1-CE1 3.84Å; V19-F33 HydrophobicContact CG1-CZ 3.76Å; V19-F33 HydrophobicContact CG2-CE2 3.98Å; V19-F33 HydrophobicContact CG2-CZ 3.97Å; V19-F33 PolarHBondContact N-O 3.03Å; V19-F33 PolarHBondContact O-N 3.37Å; A31-F33 HydrophobicContact CB-CD1 4.5Å; F33-S35 PolarHBondContact O-N 3.24Å; F33-V56 HydrophobicContact CE2-CG1 4.2Å; F33-I87 HydrophobicContact CE2-CG2 4.16Å; F33-I87 HydrophobicContact CZ-CG2 4.22Å; F33-H90 AromaticContact CE2-CD2 3.77Å; F33-H90 AromaticContact CZ-CD2 3.88Å; F33-T91 WeakPolarHBondContact CZ-OG1 3.42Å; F33-E95 HydrophobicContact CD1-CG 3.85Å; F33-E95 HydrophobicContact CE1-CG 3.81Å
34P96.9Very high92.6Very high20 Ų2056.9 Ų56.913%0.1331%0.306CS..EExtended strand (participates in β ladder)trans-59.2132.9178.3-25.435.5000113.8G17 L18 I36 G57 D58G17-P34 WeakPolarHBondContact O-CA 3.49Å; L18-P34 HydrophobicContact CD2-CG 4.43Å; P34-I36 HydrophobicContact CB-CD1 3.98Å; P34-I36 HydrophobicContact CB-CG1 3.96Å; P34-I36 HydrophobicContact CB-CG2 4.35Å; P34-I36 PolarHBondContact O-N 3.27Å; P34-G57 WeakPolarHBondContact O-CA 3.44Å; P34-D58 WeakPolarHBondContact CD-OD1 3.35Å
35S97.1Very high90.7Very high0 Ų060.5 Ų60.50%033%0.326CS..  trans-75.863.7176.5-55.10000111.5G15 G17 L18 V19 F33 P72G15-S35 WeakPolarHBondContact O-CB 3.46Å; G15-S35 PolarHBondContact O-OG 2.95Å; G17-S35 PolarHBondContact O-N 3.14Å; L18-S35 VanDerWaalsContact C-OG 3.23Å; L18-S35 PolarHBondContact N-OG 3.22Å; V19-S35 WeakPolarHBondContact CG2-OG 3.45Å; V19-S35 PolarHBondContact N-OG 2.91Å; F33-S35 PolarHBondContact O-N 3.24Å; S35-P72 WeakPolarHBondContact O-CD 3.32Å
36I96.5Very high89.1Confident1 Ų160.4 Ų60.41%0.00531%0.313CS..  trans-133147.1-174.966.5-179.1000112.5P34 V56 G57 A60 Q61 L69 K70 Y71P34-I36 HydrophobicContact CB-CD1 3.98Å; P34-I36 HydrophobicContact CB-CG1 3.96Å; P34-I36 HydrophobicContact CB-CG2 4.35Å; P34-I36 PolarHBondContact O-N 3.27Å; I36-V56 WeakPolarHBondContact O-CA 3.38Å; I36-G57 PolarHBondContact O-N 3.17Å; I36-A60 HydrophobicContact CD1-CB 3.91Å; I36-A60 HydrophobicContact CG1-CB 3.92Å; I36-Q61 HydrophobicContact CD1-CB 3.85Å; I36-L69 HydrophobicContact CD1-CD1 4.19Å; I36-L69 HydrophobicContact CD1-CD2 4.36Å; I36-K70 WeakPolarHBondContact CA-O 3.17Å; I36-Y71 HydrophobicContact CG2-CD1 3.55Å; I36-Y71 HydrophobicContact CG2-CE1 3.22Å; I36-Y71 HydrophobicContact CG2-CE2 4.28Å; I36-Y71 HydrophobicContact CG2-CG 4.21Å
37V97.6Very high87.2Confident0 Ų065.2 Ų65.20%034%0.343CS..EExtended strand (participates in β ladder)trans-121.1121.5168.9-176.90000109Y55 V56 K70 D83 K86 I87V37-Y55 CarbonylContact C-O 3.47Å; V37-Y55 WeakPolarHBondContact CA-O 3.34Å; V37-V56 HydrophobicContact CG2-CG2 4.41Å; V37-K70 PolarHBondContact N-O 2.89Å; V37-K70 PolarHBondContact O-N 3.46Å; V37-D83 HydrophobicContact CB-CB 4.24Å; V37-D83 HydrophobicContact CG2-CB 3.78Å; V37-D83 WeakPolarHBondContact CG2-O 3.42Å; V37-K86 HydrophobicContact CG1-CD 4.07Å; V37-K86 HydrophobicContact CG2-CB 4.42Å; V37-I87 HydrophobicContact CG2-CD1 4.4Å; V37-I87 HydrophobicContact CG2-CG1 3.99Å
38G95.7Very high85.6Confident0 Ų061.9 Ų61.90%035%0.345CS..EExtended strand (participates in β ladder)trans-104133.3178.300000112.1S54 Y55 T68G38-S54 CarbonylContact O-C 3.57Å; G38-S54 WeakPolarHBondContact O-CA 3.11Å; G38-Y55 PolarHBondContact N-O 3.16Å; G38-Y55 PolarHBondContact O-N 3.46Å; G38-T68 WeakPolarHBondContact CA-O 3.29Å
39R93.9Very high83.9Confident76 Ų7664.6 Ų64.629%0.28735%0.351SS..EExtended strand (participates in β ladder)trans-119137174.7-69.1177175.284.1-7.9111.2R41 L67 T68 D83R39-R41 PolarHBondContact O-N 3.06Å; R39-L67 CarbonylContact O-C 3.59Å; R39-L67 VanDerWaalsContact O-CA 3.31Å; R39-L67 WeakPolarHBondContact O-CA 3.38Å; R39-T68 PolarHBondContact N-O 3.28Å; R39-T68 PolarHBondContact O-N 3.34Å; R39-D83 IonicContact CZ-OD1 3.38Å; R39-D83 IonicContact CZ-OD2 3.29Å; R39-D83 IonicContact NH1-OD1 2.58Å; R39-D83 PolarHBondContact NH1-OD1 2.96Å; R39-D83 IonicContact NH1-OD2 3.47Å; R39-D83 PolarHBondContact NH1-OD2 3.23Å; R39-D83 IonicContact NH2-OD1 3.4Å; R39-D83 PolarHBondContact NH2-OD1 3.25Å; R39-D83 IonicContact NH2-OD2 2.74Å
40P91Very high82.3Confident50 Ų5066.9 Ų66.933%0.32538%0.377SS..EExtended strand (participates in β ladder)trans-57132.6179.5-25.734.8000113.2H42 D53 Y55 L67P40-H42 VanDerWaalsContact C-N 3.35Å; P40-D53 WeakPolarHBondContact CD-O 3.49Å; P40-Y55 HydrophobicContact CG-CE2 4.04Å; P40-L67 HydrophobicContact CB-CD2 4.28Å; P40-L67 HydrophobicContact CG-CD2 3.99Å
41R87.3Confident80.9Confident133 Ų13366.9 Ų66.950%0.50238%0.384SS..SBendtrans-71.9-31.6174.5-67-177.1-168.3-174.86.8112.7R39 I66 L67 T68R39-R41 PolarHBondContact O-N 3.06Å; R41-I66 PolarHBondContact N-O 3.14Å; R41-L67 PolarHBondContact NE-O 2.66Å; R41-L67 VanDerWaalsContact NE-O 3.08Å; R41-L67 PolarHBondContact NH2-O 3.22Å; R41-L67 VanDerWaalsContact NH2-O 3.15Å; R41-T68 WeakPolarHBondContact CG-OG1 3.5Å
42H81.6Confident80Confident139 Ų13971.6 Ų71.664%0.64440%0.403SS*.SBendtrans-133.1131.8-177.4-57.3-60.7000109.5P40 V45P40-H42 VanDerWaalsContact C-N 3.35Å; H42-V45 HydrophobicContact CB-CG2 3.78Å
43Q70.6Confident79.5Confident189 Ų18975.2 Ų75.288%0.88342%0.421SS*.THydrogen-bonded Turntrans-70.7137176.3-70-175.6-11.600110.4
44G65.9Low79.2Confident49 Ų4976.1 Ų76.151%0.50543%0.427SS..THydrogen-bonded Turntrans87.97.7168.700000117.9
45V59.1Low79.2Confident88 Ų8875.4 Ų75.453%0.53342%0.422SS..  trans-76.8-22.5-176.7-177.10000113.6H42 V47H42-V45 HydrophobicContact CB-CG2 3.78Å; V45-V47 PolarHBondContact O-N 3.37Å
46M61.4Low79.2Confident49 Ų4976 Ų7624%0.24143%0.426CS..  trans-9297.7-180-76.6-172.3-102.500111.4M49 Y55 K63 I66M46-M49 HydrophobicContact CB-CB 4.5Å; M46-M49 HydrophobicContact SD-SD 4.48Å; M46-Y55 HydrophobicContact CE-CE1 4.47Å; M46-Y55 HydrophobicContact CE-CE2 3.63Å; M46-Y55 VanDerWaalsContact CE-CZ 3.47Å; M46-Y55 WeakPolarHBondContact CE-OH 3.34Å; M46-K63 HydrophobicContact CE-CD 4.38Å; M46-K63 HydrophobicContact SD-CD 4.2Å; M46-I66 HydrophobicContact CE-CD1 3.72Å; M46-I66 HydrophobicContact CG-CD1 4.18Å; M46-I66 HydrophobicContact SD-CD1 4.16Å
47V56.6Low79.2Confident147 Ų14776 Ų7689%0.89143%0.426SS*.SBendtrans-74.6122.7171.6-178.60000109.1V45V45-V47 PolarHBondContact O-N 3.37Å
48G60.9Low79.1Confident84 Ų8480.2 Ų80.287%0.86645%0.448SS*.SBendtrans92.7-13.7171.600000116.6
49M59.9Low79Confident107 Ų10782.9 Ų82.953%0.52746%0.461SS..SBendtrans-100127163-80.4-178.2150.100107.6M46 Q51 K63M46-M49 HydrophobicContact CB-CB 4.5Å; M46-M49 HydrophobicContact SD-SD 4.48Å; M49-Q51 PolarHBondContact O-N 2.93Å; M49-K63 PolarHBondContact SD-NZ 3.49Å; M49-K63 VanDerWaalsContact SD-NZ 3.41Å
50G63.8Low79Confident64 Ų6479.3 Ų79.366%0.6645%0.447SS*.  trans-48.1142.1174.800000111K52G50-K52 PolarHBondContact O-N 3.45Å
51Q67.4Low79Confident155 Ų15578.4 Ų78.472%0.72444%0.439SS*.  trans-62.399.6178.4-74.6-169.7-1.400109.3M49M49-Q51 PolarHBondContact O-N 2.93Å
52K80.6Confident79.2Confident103 Ų10376.5 Ų76.545%0.44845%0.446SS..  trans-82138.3165.5-64.7-171.6-175.4175.70108.6G50 Y55 E59G50-K52 PolarHBondContact O-N 3.45Å; K52-Y55 HydrophobicContact CB-CE1 4.15Å; K52-Y55 HydrophobicContact CB-CE2 4.2Å; K52-Y55 HydrophobicContact CD-CD1 4.27Å; K52-Y55 HydrophobicContact CD-CE1 3.81Å; K52-Y55 HydrophobicContact CG-CE1 4.39Å; K52-E59 IonicContact NZ-OE1 2.78Å; K52-E59 IonicContact NZ-OE2 2.85Å; K52-E59 PolarHBondContact NZ-OE2 2.89Å
53D86.8Confident79.6Confident124 Ų12471.5 Ų71.566%0.66342%0.422SS*.SBendtrans-72.3-30.6174.564.4-39.3000112.2P40P40-D53 WeakPolarHBondContact CD-O 3.49Å
54S93.5Very high80.4Confident20 Ų2063.7 Ų63.714%0.1439%0.385CS..  trans-147.7158.2-179.961.20000113.3G38G38-S54 CarbonylContact O-C 3.57Å; G38-S54 WeakPolarHBondContact O-CA 3.11Å
55Y95.4Very high81.3Confident5 Ų564.3 Ų64.32%0.0239%0.391CS..EExtended strand (participates in β ladder)trans-129.1146.8176.2-63.6-85.8000108.5V37 G38 P40 M46 K52 E59 K63 L67V37-Y55 CarbonylContact C-O 3.47Å; V37-Y55 WeakPolarHBondContact CA-O 3.34Å; G38-Y55 PolarHBondContact N-O 3.16Å; G38-Y55 PolarHBondContact O-N 3.46Å; P40-Y55 HydrophobicContact CG-CE2 4.04Å; M46-Y55 HydrophobicContact CE-CE1 4.47Å; M46-Y55 HydrophobicContact CE-CE2 3.63Å; M46-Y55 VanDerWaalsContact CE-CZ 3.47Å; M46-Y55 WeakPolarHBondContact CE-OH 3.34Å; K52-Y55 HydrophobicContact CB-CE1 4.15Å; K52-Y55 HydrophobicContact CB-CE2 4.2Å; K52-Y55 HydrophobicContact CD-CD1 4.27Å; K52-Y55 HydrophobicContact CD-CE1 3.81Å; K52-Y55 HydrophobicContact CG-CE1 4.39Å; Y55-E59 HydrophobicContact CD1-CB 4.49Å; Y55-E59 HydrophobicContact CD1-CG 3.69Å; Y55-E59 VanDerWaalsContact CD1-OE1 3.31Å; Y55-E59 WeakPolarHBondContact CD1-OE1 3.44Å; Y55-E59 HydrophobicContact CE1-CG 4.33Å; Y55-E59 WeakPolarHBondContact CE1-OE1 3.44Å; Y55-K63 HydrophobicContact CD1-CD 4.2Å; Y55-K63 HydrophobicContact CE1-CD 4.09Å; Y55-L67 HydrophobicContact CD2-CD1 3.72Å; Y55-L67 HydrophobicContact CD2-CD2 3.65Å; Y55-L67 HydrophobicContact CD2-CG 4.37Å; Y55-L67 HydrophobicContact CE2-CD2 3.96Å; Y55-L67 HydrophobicContact CG-CD1 3.92Å
56V97.6Very high82.7Confident13 Ų1363.4 Ų63.48%0.07938%0.383CS..EExtended strand (participates in β ladder)trans-127.7152.1-178.4-176.90000109.6F33 I36 V37 E59 A60 K86 I87 H90F33-V56 HydrophobicContact CE2-CG1 4.2Å; I36-V56 WeakPolarHBondContact O-CA 3.38Å; V37-V56 HydrophobicContact CG2-CG2 4.41Å; V56-E59 PolarHBondContact O-N 3.09Å; V56-A60 PolarHBondContact O-N 3.43Å; V56-K86 HydrophobicContact CG2-CB 4.23Å; V56-I87 HydrophobicContact CG1-CG1 3.94Å; V56-H90 HydrophobicContact CB-CB 3.95Å; V56-H90 HydrophobicContact CG1-CB 3.72Å; V56-H90 HydrophobicContact CG2-CB 4.26Å
57G96.9Very high84.1Confident0 Ų061 Ų610%037%0.371CS..Hα-helixtrans62.7-137.4170.100000114P34 I36 E59 A60 Q61P34-G57 WeakPolarHBondContact O-CA 3.44Å; I36-G57 PolarHBondContact O-N 3.17Å; G57-E59 VanDerWaalsContact C-N 3.26Å; G57-E59 PolarHBondContact O-N 3.04Å; G57-A60 WeakPolarHBondContact O-CB 3.38Å; G57-A60 PolarHBondContact O-N 3.32Å; G57-A60 VanDerWaalsContact O-N 3.11Å; G57-Q61 PolarHBondContact O-N 3.29Å
58D95.2Very high85.8Confident90 Ų9057.3 Ų57.348%0.48135%0.349SS..Hα-helixtrans-64.9-28.6-176.9-64.8-51.3000113P34 A60 Q61 S62P34-D58 WeakPolarHBondContact CD-OD1 3.35Å; D58-A60 VanDerWaalsContact C-N 3.34Å; D58-Q61 PolarHBondContact O-N 3.27Å; D58-S62 WeakPolarHBondContact O-CB 3.49Å; D58-S62 PolarHBondContact O-N 3.11Å; D58-S62 PolarHBondContact O-OG 3.13Å
59E93.6Very high87.3Confident56 Ų5655 Ų5526%0.26232%0.316SS..Hα-helixtrans-66.1-39.8174.4-162.8-178178.700110.8K52 Y55 V56 G57 S62 K63K52-E59 IonicContact NZ-OE1 2.78Å; K52-E59 IonicContact NZ-OE2 2.85Å; K52-E59 PolarHBondContact NZ-OE2 2.89Å; Y55-E59 HydrophobicContact CD1-CB 4.49Å; Y55-E59 HydrophobicContact CD1-CG 3.69Å; Y55-E59 VanDerWaalsContact CD1-OE1 3.31Å; Y55-E59 WeakPolarHBondContact CD1-OE1 3.44Å; Y55-E59 HydrophobicContact CE1-CG 4.33Å; Y55-E59 WeakPolarHBondContact CE1-OE1 3.44Å; V56-E59 PolarHBondContact O-N 3.09Å; G57-E59 VanDerWaalsContact C-N 3.26Å; G57-E59 PolarHBondContact O-N 3.04Å; E59-S62 PolarHBondContact O-OG 2.62Å; E59-S62 VanDerWaalsContact O-OG 3.06Å; E59-K63 HydrophobicContact CG-CD 4.29Å; E59-K63 WeakPolarHBondContact O-CB 3.5Å; E59-K63 WeakPolarHBondContact O-CG 3.35Å; E59-K63 PolarHBondContact O-N 2.84Å; E59-K63 IonicContact OE1-NZ 2.84Å; E59-K63 PolarHBondContact OE1-NZ 3.24Å
60A94Very high89Confident0 Ų054.9 Ų54.90%031%0.313CS..Hα-helixtrans-68.2-41.3173.600000111.5I36 V56 G57 D58 K63 R64 L67 L69I36-A60 HydrophobicContact CD1-CB 3.91Å; I36-A60 HydrophobicContact CG1-CB 3.92Å; V56-A60 PolarHBondContact O-N 3.43Å; G57-A60 WeakPolarHBondContact O-CB 3.38Å; G57-A60 PolarHBondContact O-N 3.32Å; G57-A60 VanDerWaalsContact O-N 3.11Å; D58-A60 VanDerWaalsContact C-N 3.34Å; A60-K63 CarbonylContact O-C 3.57Å; A60-K63 PolarHBondContact O-N 3.44Å; A60-R64 PolarHBondContact O-N 2.9Å; A60-L67 HydrophobicContact CB-CD1 4.32Å; A60-L69 HydrophobicContact CB-CD2 4.02Å
61Q91.6Very high90.5Very high32 Ų3254.9 Ų54.915%0.1529%0.293CS..Hα-helixtrans-64.5-46.8-178.5-17169.6-18.200112I36 G57 D58 K63 R64 E209I36-Q61 HydrophobicContact CD1-CB 3.85Å; G57-Q61 PolarHBondContact O-N 3.29Å; D58-Q61 PolarHBondContact O-N 3.27Å; Q61-K63 PolarHBondContact O-N 3.01Å; Q61-R64 WeakPolarHBondContact O-CB 3.49Å; Q61-R64 VanDerWaalsContact O-CD 3.27Å; Q61-R64 WeakPolarHBondContact O-CD 3.42Å; Q61-R64 WeakPolarHBondContact O-CG 3.45Å; Q61-R64 PolarHBondContact O-N 3.5Å; Q61-R64 VanDerWaalsContact OE1-NH2 3.09Å; Q61-E209 PolarHBondContact NE2-OE1 2.84Å; Q61-E209 PolarHBondContact NE2-OE2 3.08Å
62S90.8Very high91.8Very high92 Ų9247.5 Ų47.564%0.64326%0.259SS*.Hα-helixtrans-63.5-29.2178.257.60000113D58 E59D58-S62 WeakPolarHBondContact O-CB 3.49Å; D58-S62 PolarHBondContact O-N 3.11Å; D58-S62 PolarHBondContact O-OG 3.13Å; E59-S62 PolarHBondContact O-OG 2.62Å; E59-S62 VanDerWaalsContact O-OG 3.06Å
63K90.1Very high92.6Very high34 Ų3442.8 Ų42.815%0.14824%0.238CC..THydrogen-bonded Turntrans-98.413.3-179.4-66175.1-178.4175.30113.9M46 M49 Y55 E59 A60 Q61 G65 I66 L67M46-K63 HydrophobicContact CE-CD 4.38Å; M46-K63 HydrophobicContact SD-CD 4.2Å; M49-K63 PolarHBondContact SD-NZ 3.49Å; M49-K63 VanDerWaalsContact SD-NZ 3.41Å; Y55-K63 HydrophobicContact CD1-CD 4.2Å; Y55-K63 HydrophobicContact CE1-CD 4.09Å; E59-K63 HydrophobicContact CG-CD 4.29Å; E59-K63 WeakPolarHBondContact O-CB 3.5Å; E59-K63 WeakPolarHBondContact O-CG 3.35Å; E59-K63 PolarHBondContact O-N 2.84Å; E59-K63 IonicContact OE1-NZ 2.84Å; E59-K63 PolarHBondContact OE1-NZ 3.24Å; A60-K63 CarbonylContact O-C 3.57Å; A60-K63 PolarHBondContact O-N 3.44Å; Q61-K63 PolarHBondContact O-N 3.01Å; K63-G65 PolarHBondContact O-N 2.86Å; K63-I66 HydrophobicContact CB-CD1 4.5Å; K63-I66 HydrophobicContact CB-CG1 4.22Å; K63-I66 WeakPolarHBondContact O-CG1 3.28Å; K63-I66 PolarHBondContact O-N 3.07Å; K63-L67 HydrophobicContact CB-CD1 3.62Å; K63-L67 HydrophobicContact CB-CG 3.93Å; K63-L67 WeakPolarHBondContact O-CG 3.49Å; K63-L67 PolarHBondContact O-N 3.43Å
64R87.4Confident92.8Very high25 Ų2541.6 Ų41.69%0.09423%0.229CC..THydrogen-bonded Turntrans-56.7-23.3-173.674.6-159.8-28.3-144.7-1.5116.5A60 Q61 I66 L67 L69 T205 E209A60-R64 PolarHBondContact O-N 2.9Å; Q61-R64 WeakPolarHBondContact O-CB 3.49Å; Q61-R64 VanDerWaalsContact O-CD 3.27Å; Q61-R64 WeakPolarHBondContact O-CD 3.42Å; Q61-R64 WeakPolarHBondContact O-CG 3.45Å; Q61-R64 PolarHBondContact O-N 3.5Å; Q61-R64 VanDerWaalsContact OE1-NH2 3.09Å; R64-I66 PolarHBondContact O-N 3.39Å; R64-L67 VanDerWaalsContact O-O 3.1Å; R64-L69 HydrophobicContact CB-CD1 3.68Å; R64-L69 HydrophobicContact CB-CG 4.24Å; R64-T205 PolarHBondContact NH1-O 2.79Å; R64-E209 IonicContact NH2-OE1 2.98Å; R64-E209 PolarHBondContact NH2-OE1 3.37Å
65G85.8Confident92.6Very high63 Ų6343.7 Ų43.765%0.64924%0.236SC*.THydrogen-bonded Turntrans-65.1-27.1175.700000113.5K63K63-G65 PolarHBondContact O-N 2.86Å
66I88.4Confident92.3Very high68 Ų6844.1 Ų44.135%0.34924%0.242SC..THydrogen-bonded Turntrans-113.7-3.9-17961.2172.5000113.2R41 M46 K63 R64R41-I66 PolarHBondContact N-O 3.14Å; M46-I66 HydrophobicContact CE-CD1 3.72Å; M46-I66 HydrophobicContact CG-CD1 4.18Å; M46-I66 HydrophobicContact SD-CD1 4.16Å; K63-I66 HydrophobicContact CB-CD1 4.5Å; K63-I66 HydrophobicContact CB-CG1 4.22Å; K63-I66 WeakPolarHBondContact O-CG1 3.28Å; K63-I66 PolarHBondContact O-N 3.07Å; R64-I66 PolarHBondContact O-N 3.39Å
67L90.8Very high92.1Very high0 Ų044.9 Ų44.90%025%0.246CC..EExtended strand (participates in β ladder)trans-108.8151.4179.8-56.1-177.8000111.6R39 P40 R41 Y55 A60 K63 R64 L69R39-L67 CarbonylContact O-C 3.59Å; R39-L67 VanDerWaalsContact O-CA 3.31Å; R39-L67 WeakPolarHBondContact O-CA 3.38Å; P40-L67 HydrophobicContact CB-CD2 4.28Å; P40-L67 HydrophobicContact CG-CD2 3.99Å; R41-L67 PolarHBondContact NE-O 2.66Å; R41-L67 VanDerWaalsContact NE-O 3.08Å; R41-L67 PolarHBondContact NH2-O 3.22Å; R41-L67 VanDerWaalsContact NH2-O 3.15Å; Y55-L67 HydrophobicContact CD2-CD1 3.72Å; Y55-L67 HydrophobicContact CD2-CD2 3.65Å; Y55-L67 HydrophobicContact CD2-CG 4.37Å; Y55-L67 HydrophobicContact CE2-CD2 3.96Å; Y55-L67 HydrophobicContact CG-CD1 3.92Å; A60-L67 HydrophobicContact CB-CD1 4.32Å; K63-L67 HydrophobicContact CB-CD1 3.62Å; K63-L67 HydrophobicContact CB-CG 3.93Å; K63-L67 WeakPolarHBondContact O-CG 3.49Å; K63-L67 PolarHBondContact O-N 3.43Å; R64-L67 VanDerWaalsContact O-O 3.1Å; L67-L69 HydrophobicContact CB-CD2 4.08Å
68T91.4Very high92Very high68 Ų6845.6 Ų45.642%0.41725%0.249SC..EExtended strand (participates in β ladder)trans-93113.3159.5-60.10000107.3G38 R39 R41G38-T68 WeakPolarHBondContact CA-O 3.29Å; R39-T68 PolarHBondContact N-O 3.28Å; R39-T68 PolarHBondContact O-N 3.34Å; R41-T68 WeakPolarHBondContact CG-OG1 3.5Å
69L92.6Very high92Very high36 Ų3645 Ų4519%0.18825%0.249CC..EExtended strand (participates in β ladder)trans-87137.2179.6-57.5-175.3000110.5I36 A60 R64 L67I36-L69 HydrophobicContact CD1-CD1 4.19Å; I36-L69 HydrophobicContact CD1-CD2 4.36Å; A60-L69 HydrophobicContact CB-CD2 4.02Å; R64-L69 HydrophobicContact CB-CD1 3.68Å; R64-L69 HydrophobicContact CB-CG 4.24Å; L67-L69 HydrophobicContact CB-CD2 4.08Å
70K95.3Very high92.2Very high104 Ų10444.5 Ų44.545%0.45225%0.248SC..EExtended strand (participates in β ladder)trans-126.3148.2171.9-67.8-169.9176.4-173.70110.4I36 V37I36-K70 WeakPolarHBondContact CA-O 3.17Å; V37-K70 PolarHBondContact N-O 2.89Å; V37-K70 PolarHBondContact O-N 3.46Å
71Y94.8Very high92.4Very high64 Ų6446.9 Ų46.925%0.25126%0.257SS..  trans-111.2109177.4-64.8-98.9000107.8I36 I73I36-Y71 HydrophobicContact CG2-CD1 3.55Å; I36-Y71 HydrophobicContact CG2-CE1 3.22Å; I36-Y71 HydrophobicContact CG2-CE2 4.28Å; I36-Y71 HydrophobicContact CG2-CG 4.21Å; Y71-I73 PolarHBondContact O-N 2.83Å
72P96.5Very high92.6Very high1 Ų150.3 Ų50.31%0.00628%0.277CS..SBendtrans-75.6-8.1-176.826.9-30.6000114S35 I78 T79 N80 D83 M84 I87S35-P72 WeakPolarHBondContact O-CD 3.32Å; P72-I78 CarbonylContact O-C 3.6Å; P72-I78 WeakPolarHBondContact O-CA 3.12Å; P72-T79 PolarHBondContact O-N 2.85Å; P72-T79 PolarHBondContact O-OG1 2.9Å; P72-N80 HydrophobicContact CB-CB 4.27Å; P72-N80 PolarHBondContact O-N 3.46Å; P72-D83 HydrophobicContact CB-CB 3.72Å; P72-D83 HydrophobicContact CG-CB 4.18Å; P72-M84 HydrophobicContact CB-CB 4.44Å; P72-M84 HydrophobicContact CG-SD 4.42Å; P72-I87 HydrophobicContact CG-CD1 3.3Å; P72-I87 HydrophobicContact CG-CG1 4.38Å
73I95.4Very high93Very high3 Ų346 Ų462%0.01525%0.246CC..EExtended strand (participates in β ladder)trans-120.3112.4178.3-54.1173.2000108.5N14 Y71 I77 I78 M84N14-I73 HydrophobicContact CB-CD1 4.26Å; Y71-I73 PolarHBondContact O-N 2.83Å; I73-I77 WeakPolarHBondContact CA-O 3.47Å; I73-I78 HydrophobicContact CG1-CG1 4.05Å; I73-M84 HydrophobicContact CD1-CE 4.17Å; I73-M84 HydrophobicContact CD1-SD 3.77Å; I73-M84 HydrophobicContact CG1-SD 3.89Å
74E91.4Very high93.4Very high99 Ų9944.4 Ų44.446%0.46324%0.239SC..EExtended strand (participates in β ladder)trans-113126.8176.8-66.2-177.817300109G76 I77 T79E74-G76 PolarHBondContact O-N 3Å; E74-G76 VanDerWaalsContact O-N 3.08Å; E74-I77 PolarHBondContact N-O 3.33Å; E74-I77 PolarHBondContact O-N 2.89Å; E74-T79 HydrophobicContact CB-CG2 3.95Å; E74-T79 HydrophobicContact CG-CG2 4.3Å
75H90.3Very high93.9Very high64 Ų6446.6 Ų46.630%0.29625%0.251SS..THydrogen-bonded Turntrans46.941.4-177.2-53-69.7000114I77 G160 R179H75-I77 VanDerWaalsContact C-N 3.28Å; H75-I77 PolarHBondContact O-N 3.07Å; H75-G160 WeakPolarHBondContact CA-O 3.28Å; H75-G160 PolarHBondContact ND1-O 3.24Å; H75-R179 PolarHBondContact O-NH2 3.13Å
76G88.2Confident94.5Very high14 Ų1446.2 Ų46.214%0.14423%0.231CC..THydrogen-bonded Turntrans78.72178.500000115.6E74 A110E74-G76 PolarHBondContact O-N 3Å; E74-G76 VanDerWaalsContact O-N 3.08Å; G76-A110 WeakPolarHBondContact O-CB 3.37Å
77I92.9Very high94.9Very high29 Ų2943 Ų4315%0.14922%0.215CC..EExtended strand (participates in β ladder)trans-111.2132.6-179.6-55-58.5000109.3I73 E74 H75 T79 N113 N117I73-I77 WeakPolarHBondContact CA-O 3.47Å; E74-I77 PolarHBondContact N-O 3.33Å; E74-I77 PolarHBondContact O-N 2.89Å; H75-I77 VanDerWaalsContact C-N 3.28Å; H75-I77 PolarHBondContact O-N 3.07Å; I77-T79 PolarHBondContact O-N 3.09Å; I77-N113 WeakPolarHBondContact CD1-OD1 3.43Å; I77-N117 VanDerWaalsContact CG2-ND2 3.28Å; I77-N117 WeakPolarHBondContact CG2-ND2 3.29Å
78I95.9Very high95.3Very high15 Ų1543 Ų438%0.07722%0.215CC..EExtended strand (participates in β ladder)trans-69.9120.7173.8-62.3161.5000108.6P72 I73 W81 M84 W88 M121P72-I78 CarbonylContact O-C 3.6Å; P72-I78 WeakPolarHBondContact O-CA 3.12Å; I73-I78 HydrophobicContact CG1-CG1 4.05Å; I78-W81 HydrophobicContact CB-CH2 4.14Å; I78-W81 HydrophobicContact CB-CZ2 4.09Å; I78-W81 HydrophobicContact CB-CZ3 4.46Å; I78-W81 HydrophobicContact CD1-CE3 4.46Å; I78-W81 HydrophobicContact CD1-CH2 3.68Å; I78-W81 HydrophobicContact CD1-CZ2 4.47Å; I78-W81 HydrophobicContact CD1-CZ3 3.69Å; I78-W81 HydrophobicContact CG2-CD2 3.8Å; I78-W81 HydrophobicContact CG2-CE3 3.88Å; I78-W81 HydrophobicContact CG2-CG 4.36Å; I78-W81 HydrophobicContact CG2-CH2 4.17Å; I78-W81 HydrophobicContact CG2-CZ2 4.06Å; I78-W81 HydrophobicContact CG2-CZ3 4.1Å; I78-M84 HydrophobicContact CD1-CG 3.96Å; I78-M84 HydrophobicContact CD1-SD 4.4Å; I78-M84 HydrophobicContact CG1-CG 4.22Å; I78-M84 HydrophobicContact CG1-SD 4.26Å; I78-M84 HydrophobicContact CG2-CB 3.92Å; I78-M84 HydrophobicContact CG2-CG 4.17Å; I78-W88 HydrophobicContact CD1-CH2 4.06Å; I78-W88 HydrophobicContact CD1-CZ2 4.25Å; I78-M121 HydrophobicContact CD1-CE 3.76Å
79T95.1Very high95.7Very high77 Ų7744.1 Ų44.147%0.47222%0.215SC..  trans-108.2-21.2179.9580000112.8P72 E74 I77P72-T79 PolarHBondContact O-N 2.85Å; P72-T79 PolarHBondContact O-OG1 2.9Å; E74-T79 HydrophobicContact CB-CG2 3.95Å; E74-T79 HydrophobicContact CG-CG2 4.3Å; I77-T79 PolarHBondContact O-N 3.09Å
80N97.4Very high95.9Very high47 Ų4743.5 Ų43.525%0.25121%0.211SC..  trans-132.2104.6176.6-169.3-56.1000111.2P72 D82 D83 M84P72-N80 HydrophobicContact CB-CB 4.27Å; P72-N80 PolarHBondContact O-N 3.46Å; N80-D82 PolarHBondContact OD1-N 3Å; N80-D83 HydrophobicContact CB-CB 4.16Å; N80-D83 PolarHBondContact O-N 2.75Å; N80-D83 WeakPolarHBondContact OD1-CB 3.38Å; N80-D83 PolarHBondContact OD1-N 2.79Å; N80-M84 WeakPolarHBondContact O-CB 3.4Å; N80-M84 PolarHBondContact O-N 2.6Å
81W97.6Very high96.1Very high49 Ų4938.5 Ų38.519%0.18619%0.19CC..Hα-helixtrans-70.8-35.2-177.5-68.1101000113.3I78 D83 M84 E85 W88 N117 K120 M121 I124I78-W81 HydrophobicContact CB-CH2 4.14Å; I78-W81 HydrophobicContact CB-CZ2 4.09Å; I78-W81 HydrophobicContact CB-CZ3 4.46Å; I78-W81 HydrophobicContact CD1-CE3 4.46Å; I78-W81 HydrophobicContact CD1-CH2 3.68Å; I78-W81 HydrophobicContact CD1-CZ2 4.47Å; I78-W81 HydrophobicContact CD1-CZ3 3.69Å; I78-W81 HydrophobicContact CG2-CD2 3.8Å; I78-W81 HydrophobicContact CG2-CE3 3.88Å; I78-W81 HydrophobicContact CG2-CG 4.36Å; I78-W81 HydrophobicContact CG2-CH2 4.17Å; I78-W81 HydrophobicContact CG2-CZ2 4.06Å; I78-W81 HydrophobicContact CG2-CZ3 4.1Å; W81-D83 VanDerWaalsContact C-N 3.27Å; W81-D83 PolarHBondContact O-N 3.34Å; W81-M84 PolarHBondContact O-N 3.36Å; W81-E85 WeakPolarHBondContact O-CB 3.44Å; W81-E85 PolarHBondContact O-N 2.98Å; W81-W88 HydrophobicContact CE3-CH2 4.46Å; W81-W88 HydrophobicContact CE3-CZ3 4.44Å; W81-W88 AromaticContact CZ3-CH2 3.93Å; W81-W88 HydrophobicContact CZ3-CH2 3.93Å; W81-W88 HydrophobicContact CZ3-CZ3 4.29Å; W81-N117 HydrophobicContact CH2-CB 4.25Å; W81-N117 WeakPolarHBondContact CH2-O 3.28Å; W81-N117 HydrophobicContact CZ2-CB 3.85Å; W81-K120 HydrophobicContact CD2-CB 4.38Å; W81-K120 HydrophobicContact CD2-CG 3.54Å; W81-K120 HydrophobicContact CE3-CG 3.8Å; W81-K120 HydrophobicContact CG-CG 4.06Å; W81-K120 HydrophobicContact CH2-CB 3.86Å; W81-K120 HydrophobicContact CH2-CG 4.04Å; W81-K120 HydrophobicContact CZ2-CB 3.72Å; W81-K120 HydrophobicContact CZ2-CG 3.82Å; W81-K120 HydrophobicContact CZ3-CB 4.23Å; W81-K120 HydrophobicContact CZ3-CG 4.01Å; W81-M121 HydrophobicContact CH2-CB 4.11Å; W81-M121 HydrophobicContact CZ3-CB 4.06Å; W81-I124 HydrophobicContact CB-CD1 4.41Å; W81-I124 HydrophobicContact CD2-CD1 4.2Å; W81-I124 HydrophobicContact CE3-CD1 3.39Å; W81-I124 HydrophobicContact CZ3-CD1 4.01Å
82D97.6Very high96.3Very high105 Ų10535.5 Ų35.556%0.56118%0.178SC*.Hα-helixtrans-65.1-33.4178-58-24.6000112.3N80 K86N80-D82 PolarHBondContact OD1-N 3Å; D82-K86 WeakPolarHBondContact O-CG 3.4Å; D82-K86 PolarHBondContact O-NZ 3.43Å
83D97.9Very high96.4Very high1 Ų139.8 Ų39.81%0.00520%0.195CC..Hα-helixtrans-80.7-35.4175.8-78-9.5000111.1V37 R39 P72 N80 W81 K86 I87V37-D83 HydrophobicContact CB-CB 4.24Å; V37-D83 HydrophobicContact CG2-CB 3.78Å; V37-D83 WeakPolarHBondContact CG2-O 3.42Å; R39-D83 IonicContact CZ-OD1 3.38Å; R39-D83 IonicContact CZ-OD2 3.29Å; R39-D83 IonicContact NH1-OD1 2.58Å; R39-D83 PolarHBondContact NH1-OD1 2.96Å; R39-D83 IonicContact NH1-OD2 3.47Å; R39-D83 PolarHBondContact NH1-OD2 3.23Å; R39-D83 IonicContact NH2-OD1 3.4Å; R39-D83 PolarHBondContact NH2-OD1 3.25Å; R39-D83 IonicContact NH2-OD2 2.74Å; P72-D83 HydrophobicContact CB-CB 3.72Å; P72-D83 HydrophobicContact CG-CB 4.18Å; N80-D83 HydrophobicContact CB-CB 4.16Å; N80-D83 PolarHBondContact O-N 2.75Å; N80-D83 WeakPolarHBondContact OD1-CB 3.38Å; N80-D83 PolarHBondContact OD1-N 2.79Å; W81-D83 VanDerWaalsContact C-N 3.27Å; W81-D83 PolarHBondContact O-N 3.34Å; D83-K86 PolarHBondContact O-N 3.46Å; D83-I87 PolarHBondContact O-N 3.08Å
84M98.1Very high96.4Very high0 Ų043.6 Ų43.60%022%0.215CC..Hα-helixtrans-65.5-39.5174.3-165.465.6-149.600112.3N14 P72 I73 I78 N80 W81 K86 I87 W88N14-M84 HydrophobicContact CB-CE 4.31Å; N14-M84 WeakPolarHBondContact OD1-CE 3.5Å; P72-M84 HydrophobicContact CB-CB 4.44Å; P72-M84 HydrophobicContact CG-SD 4.42Å; I73-M84 HydrophobicContact CD1-CE 4.17Å; I73-M84 HydrophobicContact CD1-SD 3.77Å; I73-M84 HydrophobicContact CG1-SD 3.89Å; I78-M84 HydrophobicContact CD1-CG 3.96Å; I78-M84 HydrophobicContact CD1-SD 4.4Å; I78-M84 HydrophobicContact CG1-CG 4.22Å; I78-M84 HydrophobicContact CG1-SD 4.26Å; I78-M84 HydrophobicContact CG2-CB 3.92Å; I78-M84 HydrophobicContact CG2-CG 4.17Å; N80-M84 WeakPolarHBondContact O-CB 3.4Å; N80-M84 PolarHBondContact O-N 2.6Å; W81-M84 PolarHBondContact O-N 3.36Å; M84-K86 VanDerWaalsContact C-N 3.31Å; M84-K86 PolarHBondContact O-N 2.99Å; M84-I87 HydrophobicContact CE-CB 4.4Å; M84-I87 HydrophobicContact CE-CG2 3.95Å; M84-I87 WeakPolarHBondContact O-CB 3.43Å; M84-I87 PolarHBondContact O-N 2.8Å; M84-I87 VanDerWaalsContact O-N 3.11Å; M84-I87 HydrophobicContact SD-CD1 4.47Å; M84-W88 HydrophobicContact CB-CZ3 4.33Å; M84-W88 HydrophobicContact CE-CD2 3.99Å; M84-W88 HydrophobicContact CE-CG 4.32Å; M84-W88 HydrophobicContact CE-CH2 4.46Å; M84-W88 HydrophobicContact CE-CZ2 3.61Å; M84-W88 HydrophobicContact CG-CD2 4.05Å; M84-W88 HydrophobicContact CG-CE3 3.93Å; M84-W88 HydrophobicContact CG-CH2 3.54Å; M84-W88 HydrophobicContact CG-CZ2 3.65Å; M84-W88 HydrophobicContact CG-CZ3 3.69Å; M84-W88 PolarHBondContact O-N 2.77Å; M84-W88 HydrophobicContact SD-CZ2 4.43Å
85E98.2Very high96.7Very high71 Ų7142.5 Ų42.533%0.33221%0.21SC..Hα-helixtrans-60.8-40.5174.3-169.7-176.3130.100111.6W81 I87 W88 H89 I124 T128 F129W81-E85 WeakPolarHBondContact O-CB 3.44Å; W81-E85 PolarHBondContact O-N 2.98Å; E85-I87 VanDerWaalsContact C-N 3.31Å; E85-I87 PolarHBondContact O-N 2.89Å; E85-W88 PolarHBondContact O-N 2.95Å; E85-H89 WeakPolarHBondContact O-CB 3.41Å; E85-H89 PolarHBondContact O-N 2.85Å; E85-I124 HydrophobicContact CG-CG2 4.34Å; E85-T128 HydrophobicContact CG-CG2 4.35Å; E85-F129 HydrophobicContact CG-CE2 4.06Å; E85-F129 HydrophobicContact CG-CZ 3.92Å
86K98.2Very high97.1Very high55 Ų5540.3 Ų40.324%0.23920%0.2CC..Hα-helixtrans-63.1-37.9173.3-72174-172.566.10112.3V37 V56 D82 D83 M84 H90V37-K86 HydrophobicContact CG1-CD 4.07Å; V37-K86 HydrophobicContact CG2-CB 4.42Å; V56-K86 HydrophobicContact CG2-CB 4.23Å; D82-K86 WeakPolarHBondContact O-CG 3.4Å; D82-K86 PolarHBondContact O-NZ 3.43Å; D83-K86 PolarHBondContact O-N 3.46Å; M84-K86 VanDerWaalsContact C-N 3.31Å; M84-K86 PolarHBondContact O-N 2.99Å; K86-H90 VanDerWaalsContact O-CB 3.32Å; K86-H90 WeakPolarHBondContact O-CB 3.42Å; K86-H90 PolarHBondContact O-N 2.85Å
87I98.4Very high97.6Very high0 Ų049.8 Ų49.80%023%0.231CC..Hα-helixtrans-62.7-49.2174.3-73.3-178.7000110.5V19 F33 V37 V56 P72 D83 M84 E85 H90 T91V19-I87 HydrophobicContact CG2-CG2 3.63Å; F33-I87 HydrophobicContact CE2-CG2 4.16Å; F33-I87 HydrophobicContact CZ-CG2 4.22Å; V37-I87 HydrophobicContact CG2-CD1 4.4Å; V37-I87 HydrophobicContact CG2-CG1 3.99Å; V56-I87 HydrophobicContact CG1-CG1 3.94Å; P72-I87 HydrophobicContact CG-CD1 3.3Å; P72-I87 HydrophobicContact CG-CG1 4.38Å; D83-I87 PolarHBondContact O-N 3.08Å; M84-I87 HydrophobicContact CE-CB 4.4Å; M84-I87 HydrophobicContact CE-CG2 3.95Å; M84-I87 WeakPolarHBondContact O-CB 3.43Å; M84-I87 PolarHBondContact O-N 2.8Å; M84-I87 VanDerWaalsContact O-N 3.11Å; M84-I87 HydrophobicContact SD-CD1 4.47Å; E85-I87 VanDerWaalsContact C-N 3.31Å; E85-I87 PolarHBondContact O-N 2.89Å; I87-H90 WeakPolarHBondContact O-CB 3.38Å; I87-H90 PolarHBondContact O-N 2.98Å; I87-T91 PolarHBondContact O-N 3Å; I87-T91 PolarHBondContact O-OG1 2.84Å
88W98.6Very high97.8Very high0 Ų049.3 Ų49.30%023%0.23CC..Hα-helixtrans-64.6-41178.3-71-43.4000112.9N14 I78 W81 M84 E85 H90 T91 F92 L107 M121 I124 M125 F129N14-W88 PolarHBondContact OD1-NE1 3.2Å; I78-W88 HydrophobicContact CD1-CH2 4.06Å; I78-W88 HydrophobicContact CD1-CZ2 4.25Å; W81-W88 HydrophobicContact CE3-CH2 4.46Å; W81-W88 HydrophobicContact CE3-CZ3 4.44Å; W81-W88 AromaticContact CZ3-CH2 3.93Å; W81-W88 HydrophobicContact CZ3-CH2 3.93Å; W81-W88 HydrophobicContact CZ3-CZ3 4.29Å; M84-W88 HydrophobicContact CB-CZ3 4.33Å; M84-W88 HydrophobicContact CE-CD2 3.99Å; M84-W88 HydrophobicContact CE-CG 4.32Å; M84-W88 HydrophobicContact CE-CH2 4.46Å; M84-W88 HydrophobicContact CE-CZ2 3.61Å; M84-W88 HydrophobicContact CG-CD2 4.05Å; M84-W88 HydrophobicContact CG-CE3 3.93Å; M84-W88 HydrophobicContact CG-CH2 3.54Å; M84-W88 HydrophobicContact CG-CZ2 3.65Å; M84-W88 HydrophobicContact CG-CZ3 3.69Å; M84-W88 PolarHBondContact O-N 2.77Å; M84-W88 HydrophobicContact SD-CZ2 4.43Å; E85-W88 PolarHBondContact O-N 2.95Å; W88-H90 VanDerWaalsContact C-N 3.28Å; W88-H90 PolarHBondContact O-N 3.11Å; W88-T91 WeakPolarHBondContact O-CB 3.49Å; W88-T91 PolarHBondContact O-N 2.88Å; W88-T91 VanDerWaalsContact O-N 3.15Å; W88-F92 HydrophobicContact CB-CD2 4.46Å; W88-F92 HydrophobicContact CB-CE2 4.05Å; W88-F92 WeakPolarHBondContact O-CD2 3.47Å; W88-F92 WeakPolarHBondContact O-CG 3.25Å; W88-F92 PolarHBondContact O-N 2.95Å; W88-L107 HydrophobicContact CZ2-CD2 4.4Å; W88-M121 HydrophobicContact CH2-CB 4.3Å; W88-M121 HydrophobicContact CH2-CE 4.46Å; W88-M121 HydrophobicContact CH2-CG 3.77Å; W88-M121 HydrophobicContact CZ2-CE 4.23Å; W88-M121 HydrophobicContact CZ2-CG 4.02Å; W88-M121 HydrophobicContact CZ2-SD 4.48Å; W88-I124 HydrophobicContact CE3-CG2 4.04Å; W88-I124 HydrophobicContact CZ3-CB 4.38Å; W88-I124 HydrophobicContact CZ3-CD1 4.13Å; W88-I124 HydrophobicContact CZ3-CG2 3.98Å; W88-M125 HydrophobicContact CB-CE 4.27Å; W88-M125 HydrophobicContact CD2-CE 3.3Å; W88-M125 VanDerWaalsContact CE2-CE 3.44Å; W88-M125 HydrophobicContact CE3-CE 3.7Å; W88-M125 HydrophobicContact CG-CE 3.58Å; W88-M125 HydrophobicContact CH2-CE 4.28Å; W88-M125 HydrophobicContact CZ2-CE 3.96Å; W88-M125 HydrophobicContact CZ3-CE 4.17Å; W88-F129 HydrophobicContact CB-CE2 3.74Å; W88-F129 HydrophobicContact CB-CZ 3.69Å; W88-F129 HydrophobicContact CE3-CE2 4.18Å
89H98.5Very high97.9Very high93 Ų9349.9 Ų49.943%0.43124%0.237SC..Hα-helixtrans-57-45.2172.7-178.6-68.5000111E85 F92 Y93 F129E85-H89 WeakPolarHBondContact O-CB 3.41Å; E85-H89 PolarHBondContact O-N 2.85Å; H89-F92 PolarHBondContact O-N 2.93Å; H89-Y93 AromaticContact CD2-CD2 3.59Å; H89-Y93 AromaticContact CD2-CE2 3.75Å; H89-Y93 AromaticContact CE1-CD2 3.67Å; H89-Y93 AromaticContact CG-CD2 3.76Å; H89-Y93 AromaticContact ND1-CD2 3.81Å; H89-Y93 AromaticContact NE2-CD2 3.56Å; H89-Y93 AromaticContact NE2-CE2 3.92Å; H89-Y93 WeakPolarHBondContact O-CB 3.4Å; H89-Y93 WeakPolarHBondContact O-CD2 3.31Å; H89-Y93 PolarHBondContact O-N 3.38Å; H89-F129 HydrophobicContact CB-CE1 4.07Å; H89-F129 HydrophobicContact CB-CZ 4.23Å
90H98.4Very high98Very high22 Ų2246.2 Ų46.210%0.10221%0.214CC..Iπ-helixtrans-61.9-44.5175.4-177.366.1000112F33 V56 K86 I87 W88 F92 N94 E95F33-H90 AromaticContact CE2-CD2 3.77Å; F33-H90 AromaticContact CZ-CD2 3.88Å; V56-H90 HydrophobicContact CB-CB 3.95Å; V56-H90 HydrophobicContact CG1-CB 3.72Å; V56-H90 HydrophobicContact CG2-CB 4.26Å; K86-H90 VanDerWaalsContact O-CB 3.32Å; K86-H90 WeakPolarHBondContact O-CB 3.42Å; K86-H90 PolarHBondContact O-N 2.85Å; I87-H90 WeakPolarHBondContact O-CB 3.38Å; I87-H90 PolarHBondContact O-N 2.98Å; W88-H90 VanDerWaalsContact C-N 3.28Å; W88-H90 PolarHBondContact O-N 3.11Å; H90-F92 PolarHBondContact O-N 3.48Å; H90-N94 WeakPolarHBondContact ND1-CB 3.3Å; H90-N94 PolarHBondContact ND1-OD1 3.15Å; H90-N94 WeakPolarHBondContact O-CA 3.39Å; H90-N94 VanDerWaalsContact O-CB 3.31Å; H90-N94 WeakPolarHBondContact O-CB 3.37Å; H90-N94 PolarHBondContact O-N 2.92Å; H90-E95 IonicContact CE1-OE1 2.75Å; H90-E95 IonicContact NE2-OE1 3.9Å; H90-E95 PolarHBondContact NE2-OE1 3.06Å; H90-E95 PolarHBondContact O-N 3.04Å
91T98.6Very high98Very high0 Ų048.3 Ų48.30%022%0.223CC..Iπ-helixtrans-54.8-52.5175.7-56.30000111.6A21 F33 I87 W88 E95 L96A21-T91 HydrophobicContact CB-CG2 3.35Å; F33-T91 WeakPolarHBondContact CZ-OG1 3.42Å; I87-T91 PolarHBondContact O-N 3Å; I87-T91 PolarHBondContact O-OG1 2.84Å; W88-T91 WeakPolarHBondContact O-CB 3.49Å; W88-T91 PolarHBondContact O-N 2.88Å; W88-T91 VanDerWaalsContact O-N 3.15Å; T91-E95 WeakPolarHBondContact O-CB 3.32Å; T91-L96 HydrophobicContact CG2-CD1 4.24Å; T91-L96 HydrophobicContact CG2-CG 4.47Å; T91-L96 WeakPolarHBondContact O-CB 3.03Å; T91-L96 WeakPolarHBondContact O-CG 3.02Å; T91-L96 PolarHBondContact O-N 2.97Å
92F98.5Very high97.9Very high1 Ų151.7 Ų51.70%0.00424%0.24CC..Iπ-helixtrans-73.3-52.4-174.4-59.7-46.5000112.2L10 W88 H89 H90 R97 V98 P100 T105 M125 F129L10-F92 HydrophobicContact CD1-CD1 3.7Å; L10-F92 HydrophobicContact CD1-CE1 3.7Å; W88-F92 HydrophobicContact CB-CD2 4.46Å; W88-F92 HydrophobicContact CB-CE2 4.05Å; W88-F92 WeakPolarHBondContact O-CD2 3.47Å; W88-F92 WeakPolarHBondContact O-CG 3.25Å; W88-F92 PolarHBondContact O-N 2.95Å; H89-F92 PolarHBondContact O-N 2.93Å; H90-F92 PolarHBondContact O-N 3.48Å; F92-R97 WeakPolarHBondContact O-CA 3.49Å; F92-R97 PolarHBondContact O-N 3.21Å; F92-V98 PolarHBondContact O-N 3.14Å; F92-P100 HydrophobicContact CB-CB 4.39Å; F92-P100 HydrophobicContact CB-CG 4.31Å; F92-P100 HydrophobicContact CD1-CB 4.41Å; F92-P100 HydrophobicContact CD2-CB 3.82Å; F92-P100 HydrophobicContact CD2-CG 4.08Å; F92-P100 HydrophobicContact CE2-CB 4.15Å; F92-P100 HydrophobicContact CG-CB 3.97Å; F92-P100 HydrophobicContact CG-CG 4.31Å; F92-T105 HydrophobicContact CE1-CG2 4.24Å; F92-T105 HydrophobicContact CZ-CG2 4.1Å; F92-M125 HydrophobicContact CE2-CE 4.36Å; F92-M125 HydrophobicContact CE2-SD 4.25Å; F92-M125 HydrophobicContact CZ-CE 4.29Å; F92-M125 HydrophobicContact CZ-SD 4.17Å; F92-F129 AromaticContact CD2-CD1 3.87Å; F92-F129 HydrophobicContact CD2-CD1 3.87Å; F92-F129 HydrophobicContact CD2-CE1 4.04Å; F92-F129 HydrophobicContact CD2-CG 4.29Å; F92-F129 HydrophobicContact CE2-CD1 4.09Å; F92-F129 HydrophobicContact CE2-CD2 4.28Å; F92-F129 HydrophobicContact CE2-CE1 4.37Å; F92-F129 HydrophobicContact CE2-CG 4.04Å
93Y98.2Very high97.9Very high91 Ų9147.9 Ų47.936%0.35722%0.219SC..Iπ-helixtrans-89.5-27.3-168-63.9-72.3000114.3H89 P100 F129H89-Y93 AromaticContact CD2-CD2 3.59Å; H89-Y93 AromaticContact CD2-CE2 3.75Å; H89-Y93 AromaticContact CE1-CD2 3.67Å; H89-Y93 AromaticContact CG-CD2 3.76Å; H89-Y93 AromaticContact ND1-CD2 3.81Å; H89-Y93 AromaticContact NE2-CD2 3.56Å; H89-Y93 AromaticContact NE2-CE2 3.92Å; H89-Y93 WeakPolarHBondContact O-CB 3.4Å; H89-Y93 WeakPolarHBondContact O-CD2 3.31Å; H89-Y93 PolarHBondContact O-N 3.38Å; Y93-P100 HydrophobicContact CE1-CG 4.47Å; Y93-P100 HydrophobicContact CE2-CG 4.22Å; Y93-P100 VanDerWaalsContact CZ-CD 3.46Å; Y93-P100 WeakPolarHBondContact OH-CD 3.42Å; Y93-P100 WeakPolarHBondContact OH-CG 3.41Å; Y93-F129 HydrophobicContact CE2-CE1 4.46Å
94N97Very high97.9Very high83 Ų8348.6 Ų48.644%0.44422%0.224SC..Iπ-helixtrans-102.2-49.5-177.1-60.3111.3000112.7H90 R97H90-N94 WeakPolarHBondContact ND1-CB 3.3Å; H90-N94 PolarHBondContact ND1-OD1 3.15Å; H90-N94 WeakPolarHBondContact O-CA 3.39Å; H90-N94 VanDerWaalsContact O-CB 3.31Å; H90-N94 WeakPolarHBondContact O-CB 3.37Å; H90-N94 PolarHBondContact O-N 2.92Å; N94-R97 WeakPolarHBondContact O-CG 3.48Å
95E98.1Very high97.9Very high75 Ų7548.6 Ų48.635%0.3522%0.224SC..Iπ-helixtrans-78.6-58.4-175.8-66.9-62.7123.400111.1A31 F33 H90 T91A31-E95 HydrophobicContact CB-CB 3.75Å; A31-E95 HydrophobicContact CB-CG 4.25Å; F33-E95 HydrophobicContact CD1-CG 3.85Å; F33-E95 HydrophobicContact CE1-CG 3.81Å; H90-E95 IonicContact CE1-OE1 2.75Å; H90-E95 IonicContact NE2-OE1 3.9Å; H90-E95 PolarHBondContact NE2-OE1 3.06Å; H90-E95 PolarHBondContact O-N 3.04Å; T91-E95 WeakPolarHBondContact O-CB 3.32Å
96L97.7Very high97.9Very high19 Ų1945.2 Ų45.210%0.09921%0.208CC..Iπ-helixtrans-84-23.4-179-60.6-175.6000113.3L10 A21 F23 R30 A31 T91 V98L10-L96 HydrophobicContact CD1-CD1 4.49Å; L10-L96 HydrophobicContact CD2-CD1 4.13Å; A21-L96 HydrophobicContact CB-CD1 4.12Å; A21-L96 HydrophobicContact CB-CD2 4.43Å; A21-L96 HydrophobicContact CB-CG 4.42Å; F23-L96 HydrophobicContact CE2-CD2 4.24Å; R30-L96 HydrophobicContact CB-CD2 4.12Å; A31-L96 HydrophobicContact CB-CD2 4.37Å; T91-L96 HydrophobicContact CG2-CD1 4.24Å; T91-L96 HydrophobicContact CG2-CG 4.47Å; T91-L96 WeakPolarHBondContact O-CB 3.03Å; T91-L96 WeakPolarHBondContact O-CG 3.02Å; T91-L96 PolarHBondContact O-N 2.97Å; L96-V98 HydrophobicContact CB-CG1 4.48Å; L96-V98 HydrophobicContact CB-CG2 3.96Å; L96-V98 PolarHBondContact O-N 3.4Å
97R98Very high97.9Very high212 Ų21242.6 Ų42.680%0.820%0.197SC*.  trans55.746.8-179.6-54.5-178.5-178.3179.90.7113F92 N94F92-R97 WeakPolarHBondContact O-CA 3.49Å; F92-R97 PolarHBondContact O-N 3.21Å; N94-R97 WeakPolarHBondContact O-CG 3.48Å
98V97.3Very high97.9Very high20 Ų2042.6 Ų42.612%0.12120%0.197CC..  trans-120.5159.2179.1-64.50000111.4L10 F23 F92 L96 P100L10-V98 HydrophobicContact CD1-CG2 3.8Å; L10-V98 HydrophobicContact CD2-CG2 4.32Å; F23-V98 HydrophobicContact CE1-CG1 3.94Å; F23-V98 HydrophobicContact CZ-CG1 3.57Å; F92-V98 PolarHBondContact O-N 3.14Å; L96-V98 HydrophobicContact CB-CG1 4.48Å; L96-V98 HydrophobicContact CB-CG2 3.96Å; L96-V98 PolarHBondContact O-N 3.4Å; V98-P100 WeakPolarHBondContact O-CD 3.41Å
99A97.5Very high97.7Very high26 Ų2643 Ų4322%0.21520%0.198CC..  trans-87.5109.8167.800000108.6E101 E102 H103A99-E101 HydrophobicContact CB-CG 4.25Å; A99-E101 PolarHBondContact O-N 2.97Å; A99-E101 VanDerWaalsContact O-N 3.14Å; A99-E102 HydrophobicContact CB-CG 4.16Å; A99-E102 PolarHBondContact O-N 3.27Å; A99-H103 PolarHBondContact O-CD2 2.93Å
100P97.4Very high97.4Very high0 Ų038.6 Ų38.60%018%0.178CC..G310 helixtrans-58.7-26.2-176.723.5-33.4000113.6F92 Y93 V98 E102 H103 F129 V131 P132F92-P100 HydrophobicContact CB-CB 4.39Å; F92-P100 HydrophobicContact CB-CG 4.31Å; F92-P100 HydrophobicContact CD1-CB 4.41Å; F92-P100 HydrophobicContact CD2-CB 3.82Å; F92-P100 HydrophobicContact CD2-CG 4.08Å; F92-P100 HydrophobicContact CE2-CB 4.15Å; F92-P100 HydrophobicContact CG-CB 3.97Å; F92-P100 HydrophobicContact CG-CG 4.31Å; Y93-P100 HydrophobicContact CE1-CG 4.47Å; Y93-P100 HydrophobicContact CE2-CG 4.22Å; Y93-P100 VanDerWaalsContact CZ-CD 3.46Å; Y93-P100 WeakPolarHBondContact OH-CD 3.42Å; Y93-P100 WeakPolarHBondContact OH-CG 3.41Å; V98-P100 WeakPolarHBondContact O-CD 3.41Å; P100-E102 PolarHBondContact O-N 3.46Å; P100-H103 PolarHBondContact O-N 3.49Å; P100-F129 HydrophobicContact CB-CB 4.22Å; P100-F129 HydrophobicContact CG-CB 4.2Å; P100-F129 HydrophobicContact CG-CD1 4.1Å; P100-V131 HydrophobicContact CB-CG1 4.18Å; P100-P132 WeakPolarHBondContact O-CD 3.41Å
101E97.5Very high97Very high92 Ų9237.6 Ų37.643%0.4317%0.174SC..G310 helixtrans-65.4-13.5175.762-93.8-138.600114.6A99 N130 P132A99-E101 HydrophobicContact CB-CG 4.25Å; A99-E101 PolarHBondContact O-N 2.97Å; A99-E101 VanDerWaalsContact O-N 3.14Å; E101-N130 WeakPolarHBondContact CA-O 3.32Å; E101-N130 HydrophobicContact CB-CB 4.21Å; E101-P132 WeakPolarHBondContact O-CD 3.16Å
102E96.8Very high96.5Very high119 Ų11942.3 Ų42.356%0.55620%0.199SC*.G310 helixtrans-99.6-4.6177.6-62.2-177.8171.300113T7 A99 P100T7-E102 VanDerWaalsContact CB-O 3.3Å; T7-E102 WeakPolarHBondContact CB-O 3.36Å; T7-E102 WeakPolarHBondContact CG2-O 3.44Å; T7-E102 PolarHBondContact OG1-O 3.21Å; A99-E102 HydrophobicContact CB-CG 4.16Å; A99-E102 PolarHBondContact O-N 3.27Å; P100-E102 PolarHBondContact O-N 3.46Å
103H97.4Very high96.1Very high25 Ų2543 Ų4312%0.11620%0.202CC..SBendtrans-131.5126.9-169.8-68-88.7000114.4T8 L10 A99 P100 T105 P132T8-H103 PolarHBondContact O-ND1 3.31Å; L10-H103 HydrophobicContact CD1-CB 3.89Å; L10-H103 HydrophobicContact CD2-CB 4.37Å; L10-H103 HydrophobicContact CG-CB 3.72Å; A99-H103 PolarHBondContact O-CD2 2.93Å; P100-H103 PolarHBondContact O-N 3.49Å; H103-T105 PolarHBondContact O-N 2.93Å; H103-T105 PolarHBondContact O-OG1 3Å; H103-P132 WeakPolarHBondContact O-CD 3.38Å
104P97.7Very high95.9Very high16 Ų1641.6 Ų41.610%0.10420%0.204CC..  trans-56.2138.5164.6-22.633.7000110.8A9 L10 A133 W358A9-P104 CarbonylContact C-O 3.54Å; A9-P104 VanDerWaalsContact CA-O 3.23Å; A9-P104 WeakPolarHBondContact CA-O 3.49Å; A9-P104 HydrophobicContact CB-CB 4.13Å; L10-P104 PolarHBondContact N-O 2.74Å; P104-A133 CarbonylContact C-O 3.52Å; P104-A133 VanDerWaalsContact CA-O 3.29Å; P104-A133 WeakPolarHBondContact CA-O 3.41Å; P104-A133 HydrophobicContact CB-CB 4.26Å; P104-W358 HydrophobicContact CB-CD2 4.33Å; P104-W358 HydrophobicContact CB-CE3 4.37Å; P104-W358 HydrophobicContact CB-CH2 4.04Å; P104-W358 HydrophobicContact CB-CZ2 3.98Å; P104-W358 HydrophobicContact CB-CZ3 4.25Å
105T98.3Very high95.7Very high0 Ų044.6 Ų44.60%021%0.213CC..EExtended strand (participates in β ladder)trans-126.2115.6-173.6-61.70000112.4L10 F92 H103 L107 A133 M134 Y135L10-T105 HydrophobicContact CB-CG2 4.39Å; F92-T105 HydrophobicContact CE1-CG2 4.24Å; F92-T105 HydrophobicContact CZ-CG2 4.1Å; H103-T105 PolarHBondContact O-N 2.93Å; H103-T105 PolarHBondContact O-OG1 3Å; T105-L107 HydrophobicContact CG2-CD1 4.37Å; T105-L107 HydrophobicContact CG2-CG 4.11Å; T105-A133 PolarHBondContact N-O 2.92Å; T105-M134 WeakPolarHBondContact O-CA 3.36Å; T105-M134 VanDerWaalsContact O-CB 3.28Å; T105-M134 WeakPolarHBondContact O-CB 3.34Å; T105-Y135 PolarHBondContact O-N 3.34Å; T105-Y135 VanDerWaalsContact O-N 3.1Å
106L98.5Very high95.6Very high0 Ų044.1 Ų44.10%022%0.222CC..EExtended strand (participates in β ladder)trans-86.9123.8169.2-171.8152.3000109.7L10 V11 C12 T108 Y135 A137 L142 L348 A349 F354 W358L10-L106 PolarHBondContact O-N 2.83Å; V11-L106 HydrophobicContact CG1-CD2 4.16Å; V11-L106 HydrophobicContact CG2-CB 4.4Å; C12-L106 PolarHBondContact N-O 3.36Å; L106-T108 HydrophobicContact CD2-CG2 4.34Å; L106-Y135 WeakPolarHBondContact CA-O 3.37Å; L106-Y135 HydrophobicContact CD1-CD1 4.48Å; L106-A137 HydrophobicContact CD2-CB 4.27Å; L106-L142 HydrophobicContact CD2-CD1 4.13Å; L106-L348 HydrophobicContact CD1-CD2 4.23Å; L106-A349 HydrophobicContact CB-CB 4.47Å; L106-A349 HydrophobicContact CD1-CB 4.07Å; L106-F354 HydrophobicContact CD1-CE1 4.15Å; L106-F354 HydrophobicContact CD1-CZ 4.01Å; L106-W358 HydrophobicContact CB-CH2 3.91Å; L106-W358 HydrophobicContact CB-CZ3 4.25Å
107L98.3Very high95.5Very high0 Ų044.5 Ų44.50%022%0.224CC..EExtended strand (participates in β ladder)trans-112153.6175.9-71.6148.4000110.5C12 N14 W88 T105 M121 M125 M134 Y135 V136 A137C12-L107 HydrophobicContact CB-CD2 3.83Å; C12-L107 WeakPolarHBondContact O-CA 3.4Å; N14-L107 WeakPolarHBondContact ND2-CD2 3.3Å; W88-L107 HydrophobicContact CZ2-CD2 4.4Å; T105-L107 HydrophobicContact CG2-CD1 4.37Å; T105-L107 HydrophobicContact CG2-CG 4.11Å; L107-M121 HydrophobicContact CB-SD 3.86Å; L107-M121 HydrophobicContact CD1-CG 4.09Å; L107-M121 HydrophobicContact CD1-SD 3.97Å; L107-M121 HydrophobicContact CG-SD 4.35Å; L107-M125 HydrophobicContact CD1-CE 3.62Å; L107-M125 HydrophobicContact CD1-CG 3.54Å; L107-M125 HydrophobicContact CD1-SD 3.79Å; L107-M125 HydrophobicContact CD2-CE 3.74Å; L107-M125 HydrophobicContact CG-CE 4.29Å; L107-M134 HydrophobicContact CD1-CE 3.84Å; L107-Y135 PolarHBondContact N-O 2.8Å; L107-V136 CarbonylContact O-C 3.58Å; L107-V136 WeakPolarHBondContact O-CA 3.37Å; L107-A137 PolarHBondContact O-N 3.1Å
108T97.2Very high95.4Very high0 Ų035.9 Ų35.90%019%0.192CC..EExtended strand (participates in β ladder)trans-108.4150.6173.376.80000111.7C12 D13 N14 L106 A137 Q139 L142 V341C12-T108 PolarHBondContact O-N 2.99Å; C12-T108 VanDerWaalsContact O-N 3.16Å; D13-T108 VanDerWaalsContact CA-OG1 3.3Å; D13-T108 WeakPolarHBondContact CA-OG1 3.15Å; D13-T108 HydrophobicContact CB-CG2 4.1Å; D13-T108 PolarHBondContact OD1-OG1 3.15Å; N14-T108 PolarHBondContact N-OG1 3.01Å; N14-T108 PolarHBondContact ND2-O 3.38Å; L106-T108 HydrophobicContact CD2-CG2 4.34Å; T108-A137 VanDerWaalsContact CA-O 3.3Å; T108-A137 WeakPolarHBondContact CA-O 3.36Å; T108-Q139 PolarHBondContact OG1-NE2 3.49Å; T108-L142 HydrophobicContact CG2-CD1 3.66Å; T108-V341 HydrophobicContact CG2-CG1 3.86Å
109E94.8Very high95.4Very high8 Ų838 Ų384%0.03720%0.2CC..EExtended strand (participates in β ladder)trans-135.9158.3169.766.2168.9-151.600112N113 R118 V136 A137 Q139E109-N113 HydrophobicContact CB-CB 4.36Å; E109-N113 HydrophobicContact CG-CB 4.42Å; E109-N113 PolarHBondContact OE2-ND2 3.37Å; E109-R118 VanDerWaalsContact CD-NE 3.26Å; E109-R118 IonicContact OE1-CZ 3.96Å; E109-R118 IonicContact OE1-NE 2.62Å; E109-R118 PolarHBondContact OE1-NE 2.86Å; E109-R118 IonicContact OE1-NH2 3.04Å; E109-R118 PolarHBondContact OE1-NH2 3.43Å; E109-R118 WeakPolarHBondContact OE2-CG 3.44Å; E109-R118 IonicContact OE2-CZ 2.66Å; E109-R118 IonicContact OE2-NE 3.14Å; E109-R118 PolarHBondContact OE2-NE 3.18Å; E109-R118 IonicContact OE2-NH2 3.94Å; E109-V136 HydrophobicContact CB-CG1 4.07Å; E109-V136 HydrophobicContact CG-CG1 3.62Å; E109-A137 PolarHBondContact N-O 2.93Å; E109-Q139 VanDerWaalsContact O-CG 3.3Å; E109-Q139 WeakPolarHBondContact O-CG 3.49Å; E109-Q139 PolarHBondContact O-N 2.74Å
110A92.4Very high95.5Very high1 Ų140.2 Ų40.21%0.00821%0.205CC..  trans-68151.1173.200000111.4G76 N113G76-A110 WeakPolarHBondContact O-CB 3.37Å; A110-N113 WeakPolarHBondContact O-CB 3.46Å; A110-N113 PolarHBondContact O-N 2.92Å
111P90.4Very high95.5Very high2 Ų240.3 Ų40.31%0.01321%0.206CC..THydrogen-bonded Turntrans-55.2144.3170.5-21.632000112.1N113 I138 H163 V165 I177P111-N113 PolarHBondContact O-N 3.08Å; P111-I138 HydrophobicContact CB-CG2 4.44Å; P111-I138 HydrophobicContact CG-CG2 4.06Å; P111-H163 HydrophobicContact CG-CB 4.11Å; P111-V165 HydrophobicContact CB-CG2 3.99Å; P111-V165 HydrophobicContact CG-CG2 3.48Å; P111-V165 VanDerWaalsContact CG-CG2 3.48Å; P111-I177 HydrophobicContact CB-CD1 4.15Å; P111-I177 HydrophobicContact CB-CG2 4.07Å
112L87.6Confident95.5Very high99 Ų9936 Ų3652%0.51819%0.185SC..THydrogen-bonded Turntrans58.326.6-179.7-53175.3000114.4P174 I177L112-P174 HydrophobicContact CD2-CB 4.42Å; L112-I177 HydrophobicContact CD1-CB 4.13Å; L112-I177 HydrophobicContact CD1-CG2 3.89Å; L112-I177 HydrophobicContact CD2-CD1 4.06Å; L112-I177 HydrophobicContact CG-CB 4.4Å; L112-I177 HydrophobicContact CG-CD1 4.14Å; L112-I177 HydrophobicContact CG-CG2 4.14Å
113N89.8Confident95.5Very high14 Ų1433 Ų338%0.07517%0.172CC..  trans-56.5136.4172.8-170.234.1000110.8I77 E109 A110 P111 K115I77-N113 WeakPolarHBondContact CD1-OD1 3.43Å; E109-N113 HydrophobicContact CB-CB 4.36Å; E109-N113 HydrophobicContact CG-CB 4.42Å; E109-N113 PolarHBondContact OE2-ND2 3.37Å; A110-N113 WeakPolarHBondContact O-CB 3.46Å; A110-N113 PolarHBondContact O-N 2.92Å; P111-N113 PolarHBondContact O-N 3.08Å; N113-K115 PolarHBondContact O-N 3.02Å
114P93.2Very high95.6Very high62 Ų6232.1 Ų32.140%0.40317%0.168SC..  trans-54.5135.4176.2-29.236.6000111.9A116 N117 R118P114-A116 PolarHBondContact O-N 2.85Å; P114-N117 HydrophobicContact CB-CB 4.42Å; P114-N117 WeakPolarHBondContact O-CB 3.17Å; P114-N117 PolarHBondContact O-N 3.43Å; P114-R118 PolarHBondContact O-N 3.09Å
115K94.3Very high95.6Very high146 Ų14631.3 Ų31.364%0.63516%0.163SC*.Hα-helixtrans-53-43.7-179.9-73.8-170178.1-175.80112.6N113 N117 R118 E119 H373N113-K115 PolarHBondContact O-N 3.02Å; K115-N117 VanDerWaalsContact C-N 3.25Å; K115-N117 PolarHBondContact O-N 2.87Å; K115-R118 WeakPolarHBondContact O-CB 3.48Å; K115-R118 PolarHBondContact O-N 2.87Å; K115-R118 VanDerWaalsContact O-N 3.07Å; K115-E119 PolarHBondContact O-N 3.3Å; K115-H373 WeakPolarHBondContact CB-NE2 3.45Å; K115-H373 PolarHBondContact O-NE2 3.08Å
116A96.1Very high95.7Very high65 Ų6531.3 Ų31.354%0.53716%0.163SC..Hα-helixtrans-59.3-33.417700000113.2P114 K120P114-A116 PolarHBondContact O-N 2.85Å; A116-K120 VanDerWaalsContact O-CB 3.32Å; A116-K120 WeakPolarHBondContact O-CB 3.38Å; A116-K120 PolarHBondContact O-N 3.41Å
117N95.7Very high95.6Very high27 Ų2736.1 Ų36.114%0.14419%0.185CC..Hα-helixtrans-70.8-40.2176.2-75.28.3000111.2I77 W81 P114 K115 K120 M121I77-N117 VanDerWaalsContact CG2-ND2 3.28Å; I77-N117 WeakPolarHBondContact CG2-ND2 3.29Å; W81-N117 HydrophobicContact CH2-CB 4.25Å; W81-N117 WeakPolarHBondContact CH2-O 3.28Å; W81-N117 HydrophobicContact CZ2-CB 3.85Å; P114-N117 HydrophobicContact CB-CB 4.42Å; P114-N117 WeakPolarHBondContact O-CB 3.17Å; P114-N117 PolarHBondContact O-N 3.43Å; K115-N117 VanDerWaalsContact C-N 3.25Å; K115-N117 PolarHBondContact O-N 2.87Å; N117-K120 PolarHBondContact O-N 3.4Å; N117-M121 WeakPolarHBondContact O-CB 3.39Å; N117-M121 PolarHBondContact O-N 2.73Å
118R95.8Very high95.6Very high31 Ų3139.2 Ų39.212%0.11720%0.204CC..Hα-helixtrans-61.5-45.9174.9-162.5-177.1-60.2161.11.7111E109 P114 K115 K120 M121 T122 V136 V372 C376E109-R118 VanDerWaalsContact CD-NE 3.26Å; E109-R118 IonicContact OE1-CZ 3.96Å; E109-R118 IonicContact OE1-NE 2.62Å; E109-R118 PolarHBondContact OE1-NE 2.86Å; E109-R118 IonicContact OE1-NH2 3.04Å; E109-R118 PolarHBondContact OE1-NH2 3.43Å; E109-R118 WeakPolarHBondContact OE2-CG 3.44Å; E109-R118 IonicContact OE2-CZ 2.66Å; E109-R118 IonicContact OE2-NE 3.14Å; E109-R118 PolarHBondContact OE2-NE 3.18Å; E109-R118 IonicContact OE2-NH2 3.94Å; P114-R118 PolarHBondContact O-N 3.09Å; K115-R118 WeakPolarHBondContact O-CB 3.48Å; K115-R118 PolarHBondContact O-N 2.87Å; K115-R118 VanDerWaalsContact O-N 3.07Å; R118-K120 VanDerWaalsContact C-N 3.35Å; R118-K120 PolarHBondContact O-N 3.41Å; R118-M121 PolarHBondContact O-N 2.95Å; R118-T122 PolarHBondContact O-N 3.15Å; R118-T122 PolarHBondContact O-OG1 2.8Å; R118-T122 VanDerWaalsContact O-OG1 3.09Å; R118-V136 HydrophobicContact CG-CB 4.47Å; R118-V136 HydrophobicContact CG-CG1 4.25Å; R118-V136 HydrophobicContact CG-CG2 4.42Å; R118-V372 HydrophobicContact CB-CG1 4.37Å; R118-V372 HydrophobicContact CG-CB 4.47Å; R118-V372 HydrophobicContact CG-CG1 3.83Å; R118-V372 HydrophobicContact CG-CG2 3.77Å; R118-C376 PolarHBondContact NH1-O 3.39Å
119E97.8Very high95.7Very high64 Ų6439.6 Ų39.630%0.29921%0.206SC..Hα-helixtrans-60.3-42.2174.2-70.4179.316300112.1K115 T122 Q123 P369 V372 H373K115-E119 PolarHBondContact O-N 3.3Å; E119-T122 WeakPolarHBondContact O-CB 3.39Å; E119-T122 PolarHBondContact O-N 3.05Å; E119-Q123 WeakPolarHBondContact O-CB 3.42Å; E119-Q123 PolarHBondContact O-N 3.22Å; E119-P369 HydrophobicContact CB-CB 3.75Å; E119-P369 HydrophobicContact CG-CB 4.06Å; E119-V372 HydrophobicContact CG-CG1 4.35Å; E119-H373 WeakPolarHBondContact CG-NE2 3.36Å; E119-H373 IonicContact OE1-CD2 2.9Å; E119-H373 PolarHBondContact OE1-CD2 3.19Å; E119-H373 IonicContact OE1-NE2 3.86Å; E119-H373 PolarHBondContact OE1-NE2 2.88Å
120K98Very high95.9Very high73 Ų7343.7 Ų43.732%0.31723%0.228SC..Hα-helixtrans-66.8-39179.4-173.961.7-175.4173.50112.7W81 A116 N117 R118 Q123 I124W81-K120 HydrophobicContact CD2-CB 4.38Å; W81-K120 HydrophobicContact CD2-CG 3.54Å; W81-K120 HydrophobicContact CE3-CG 3.8Å; W81-K120 HydrophobicContact CG-CG 4.06Å; W81-K120 HydrophobicContact CH2-CB 3.86Å; W81-K120 HydrophobicContact CH2-CG 4.04Å; W81-K120 HydrophobicContact CZ2-CB 3.72Å; W81-K120 HydrophobicContact CZ2-CG 3.82Å; W81-K120 HydrophobicContact CZ3-CB 4.23Å; W81-K120 HydrophobicContact CZ3-CG 4.01Å; A116-K120 VanDerWaalsContact O-CB 3.32Å; A116-K120 WeakPolarHBondContact O-CB 3.38Å; A116-K120 PolarHBondContact O-N 3.41Å; N117-K120 PolarHBondContact O-N 3.4Å; R118-K120 VanDerWaalsContact C-N 3.35Å; R118-K120 PolarHBondContact O-N 3.41Å; K120-Q123 WeakPolarHBondContact O-CB 3.21Å; K120-Q123 PolarHBondContact O-N 3.39Å; K120-I124 HydrophobicContact CG-CD1 4.21Å; K120-I124 WeakPolarHBondContact O-CG1 3.46Å; K120-I124 PolarHBondContact O-N 3.3Å
121M97.1Very high96.1Very high3 Ų343.7 Ų43.72%0.01523%0.228CC..Hα-helixtrans-60.8-46.6171.9180-173.8-60.700110.8I78 W81 W88 L107 N117 R118 Q123 I124 M125 V136I78-M121 HydrophobicContact CD1-CE 3.76Å; W81-M121 HydrophobicContact CH2-CB 4.11Å; W81-M121 HydrophobicContact CZ3-CB 4.06Å; W88-M121 HydrophobicContact CH2-CB 4.3Å; W88-M121 HydrophobicContact CH2-CE 4.46Å; W88-M121 HydrophobicContact CH2-CG 3.77Å; W88-M121 HydrophobicContact CZ2-CE 4.23Å; W88-M121 HydrophobicContact CZ2-CG 4.02Å; W88-M121 HydrophobicContact CZ2-SD 4.48Å; L107-M121 HydrophobicContact CB-SD 3.86Å; L107-M121 HydrophobicContact CD1-CG 4.09Å; L107-M121 HydrophobicContact CD1-SD 3.97Å; L107-M121 HydrophobicContact CG-SD 4.35Å; N117-M121 WeakPolarHBondContact O-CB 3.39Å; N117-M121 PolarHBondContact O-N 2.73Å; R118-M121 PolarHBondContact O-N 2.95Å; M121-Q123 VanDerWaalsContact C-N 3.34Å; M121-Q123 PolarHBondContact O-N 2.98Å; M121-I124 PolarHBondContact O-N 3.2Å; M121-M125 VanDerWaalsContact O-CG 3.32Å; M121-M125 WeakPolarHBondContact O-CG 3.19Å; M121-M125 PolarHBondContact O-N 3.36Å; M121-V136 HydrophobicContact SD-CG1 4.49Å; M121-V136 HydrophobicContact SD-CG2 4.13Å
122T98Very high96.5Very high0 Ų046 Ų460%024%0.243CC..Hα-helixtrans-59.6-44.6176-62.20000111.9R118 E119 I124 M125 F126 M134 Y364R118-T122 PolarHBondContact O-N 3.15Å; R118-T122 PolarHBondContact O-OG1 2.8Å; R118-T122 VanDerWaalsContact O-OG1 3.09Å; E119-T122 WeakPolarHBondContact O-CB 3.39Å; E119-T122 PolarHBondContact O-N 3.05Å; T122-I124 PolarHBondContact O-N 3.33Å; T122-M125 PolarHBondContact O-N 3.06Å; T122-F126 HydrophobicContact CG2-CD2 3.7Å; T122-F126 HydrophobicContact CG2-CE2 3.79Å; T122-F126 WeakPolarHBondContact O-CD2 3.34Å; T122-F126 PolarHBondContact O-N 3.29Å; T122-F126 VanDerWaalsContact O-N 3.12Å; T122-M134 HydrophobicContact CG2-SD 3.96Å; T122-Y364 HydrophobicContact CG2-CD2 3.81Å; T122-Y364 HydrophobicContact CG2-CE2 3.89Å
123Q98.3Very high97Very high57 Ų5741.7 Ų41.727%0.26622%0.222SC..Hα-helixtrans-57.1-51.3176.5-171.9-167.54.500111.3E119 K120 M121 M125 F126 E127 P369E119-Q123 WeakPolarHBondContact O-CB 3.42Å; E119-Q123 PolarHBondContact O-N 3.22Å; K120-Q123 WeakPolarHBondContact O-CB 3.21Å; K120-Q123 PolarHBondContact O-N 3.39Å; M121-Q123 VanDerWaalsContact C-N 3.34Å; M121-Q123 PolarHBondContact O-N 2.98Å; Q123-M125 VanDerWaalsContact C-N 3.34Å; Q123-M125 PolarHBondContact O-N 2.99Å; Q123-F126 PolarHBondContact O-N 3.04Å; Q123-E127 HydrophobicContact CG-CG 4.13Å; Q123-E127 WeakPolarHBondContact CG-OE2 3.47Å; Q123-E127 PolarHBondContact NE2-OE2 3.5Å; Q123-E127 VanDerWaalsContact O-CB 3.24Å; Q123-E127 WeakPolarHBondContact O-CB 3.41Å; Q123-E127 WeakPolarHBondContact O-CG 3.31Å; Q123-E127 PolarHBondContact O-N 3Å; Q123-P369 HydrophobicContact CB-CG 4.42Å
124I98.5Very high97.4Very high6 Ų641 Ų413%0.03122%0.218CC..Hα-helixtrans-62-43.4-177.8-69.4165.2000111W81 E85 W88 K120 M121 T122 F126 T128 F129W81-I124 HydrophobicContact CB-CD1 4.41Å; W81-I124 HydrophobicContact CD2-CD1 4.2Å; W81-I124 HydrophobicContact CE3-CD1 3.39Å; W81-I124 HydrophobicContact CZ3-CD1 4.01Å; E85-I124 HydrophobicContact CG-CG2 4.34Å; W88-I124 HydrophobicContact CE3-CG2 4.04Å; W88-I124 HydrophobicContact CZ3-CB 4.38Å; W88-I124 HydrophobicContact CZ3-CD1 4.13Å; W88-I124 HydrophobicContact CZ3-CG2 3.98Å; K120-I124 HydrophobicContact CG-CD1 4.21Å; K120-I124 WeakPolarHBondContact O-CG1 3.46Å; K120-I124 PolarHBondContact O-N 3.3Å; M121-I124 PolarHBondContact O-N 3.2Å; T122-I124 PolarHBondContact O-N 3.33Å; I124-F126 PolarHBondContact O-N 3.11Å; I124-T128 WeakPolarHBondContact O-CA 3.37Å; I124-T128 WeakPolarHBondContact O-CB 3.45Å; I124-T128 PolarHBondContact O-N 3.42Å; I124-F129 HydrophobicContact CG2-CD2 3.86Å; I124-F129 HydrophobicContact CG2-CE2 3.65Å; I124-F129 PolarHBondContact O-N 2.93Å; I124-F129 VanDerWaalsContact O-N 3.13Å
125M98.5Very high97.6Very high0 Ų039.1 Ų39.10%020%0.203CC..Hα-helixtrans-62-43.5-179.5-71.8-68.6161.200112.4W88 F92 L107 M121 T122 Q123 F129 N130 V131 M134W88-M125 HydrophobicContact CB-CE 4.27Å; W88-M125 HydrophobicContact CD2-CE 3.3Å; W88-M125 VanDerWaalsContact CE2-CE 3.44Å; W88-M125 HydrophobicContact CE3-CE 3.7Å; W88-M125 HydrophobicContact CG-CE 3.58Å; W88-M125 HydrophobicContact CH2-CE 4.28Å; W88-M125 HydrophobicContact CZ2-CE 3.96Å; W88-M125 HydrophobicContact CZ3-CE 4.17Å; F92-M125 HydrophobicContact CE2-CE 4.36Å; F92-M125 HydrophobicContact CE2-SD 4.25Å; F92-M125 HydrophobicContact CZ-CE 4.29Å; F92-M125 HydrophobicContact CZ-SD 4.17Å; L107-M125 HydrophobicContact CD1-CE 3.62Å; L107-M125 HydrophobicContact CD1-CG 3.54Å; L107-M125 HydrophobicContact CD1-SD 3.79Å; L107-M125 HydrophobicContact CD2-CE 3.74Å; L107-M125 HydrophobicContact CG-CE 4.29Å; M121-M125 VanDerWaalsContact O-CG 3.32Å; M121-M125 WeakPolarHBondContact O-CG 3.19Å; M121-M125 PolarHBondContact O-N 3.36Å; T122-M125 PolarHBondContact O-N 3.06Å; Q123-M125 VanDerWaalsContact C-N 3.34Å; Q123-M125 PolarHBondContact O-N 2.99Å; M125-F129 HydrophobicContact CE-CD2 4.47Å; M125-F129 CarbonylContact O-C 3.55Å; M125-F129 WeakPolarHBondContact O-CB 3.39Å; M125-F129 HydrophobicContact SD-CD2 4.14Å; M125-N130 PolarHBondContact O-N 3.23Å; M125-N130 VanDerWaalsContact O-N 3.08Å; M125-V131 HydrophobicContact CB-CG2 3.96Å; M125-V131 WeakPolarHBondContact O-CG2 3.39Å; M125-V131 PolarHBondContact O-N 3.41Å; M125-V131 VanDerWaalsContact O-N 3.14Å; M125-V131 HydrophobicContact SD-CG1 4.42Å; M125-M134 HydrophobicContact CB-CE 4.4Å; M125-M134 HydrophobicContact CB-SD 3.53Å; M125-M134 VanDerWaalsContact CB-SD 3.53Å; M125-M134 HydrophobicContact CG-CE 4.34Å; M125-M134 HydrophobicContact CG-SD 4.09Å
126F98.6Very high97.7Very high0 Ų032.4 Ų32.40%017%0.174CC..Hα-helixtrans-83.3-35.5-179.5-75.3-57.2000114.8T122 Q123 I124 N130 V131 M134 I359 K361 Y364T122-F126 HydrophobicContact CG2-CD2 3.7Å; T122-F126 HydrophobicContact CG2-CE2 3.79Å; T122-F126 WeakPolarHBondContact O-CD2 3.34Å; T122-F126 PolarHBondContact O-N 3.29Å; T122-F126 VanDerWaalsContact O-N 3.12Å; Q123-F126 PolarHBondContact O-N 3.04Å; I124-F126 PolarHBondContact O-N 3.11Å; F126-N130 WeakPolarHBondContact O-CA 3.17Å; F126-N130 PolarHBondContact O-OD1 3.35Å; F126-V131 HydrophobicContact CD1-CG2 3.85Å; F126-V131 VanDerWaalsContact CD1-O 3.28Å; F126-V131 WeakPolarHBondContact CD1-O 3.44Å; F126-V131 HydrophobicContact CE1-CG2 3.98Å; F126-V131 WeakPolarHBondContact CE1-O 3.49Å; F126-M134 HydrophobicContact CD2-CG 4.34Å; F126-M134 HydrophobicContact CD2-SD 3.98Å; F126-M134 HydrophobicContact CE1-CG 4.3Å; F126-M134 HydrophobicContact CE2-CG 3.56Å; F126-M134 HydrophobicContact CE2-SD 3.72Å; F126-M134 HydrophobicContact CZ-CG 3.55Å; F126-M134 HydrophobicContact CZ-SD 4.27Å; F126-I359 HydrophobicContact CE2-CG2 3.83Å; F126-I359 HydrophobicContact CZ-CB 4.29Å; F126-I359 HydrophobicContact CZ-CG2 3.83Å; F126-I359 WeakPolarHBondContact CZ-O 3.47Å; F126-K361 HydrophobicContact CB-CD 4.05Å; F126-K361 HydrophobicContact CD1-CB 4.27Å; F126-K361 HydrophobicContact CD1-CD 3.54Å; F126-K361 HydrophobicContact CE1-CB 4.18Å; F126-K361 HydrophobicContact CE1-CD 4.27Å; F126-K361 HydrophobicContact CG-CD 4.09Å; F126-K361 WeakPolarHBondContact O-CE 3.31Å; F126-Y364 HydrophobicContact CB-CD1 3.75Å; F126-Y364 HydrophobicContact CB-CD2 4.37Å; F126-Y364 HydrophobicContact CB-CE1 3.84Å; F126-Y364 HydrophobicContact CB-CE2 4.41Å; F126-Y364 HydrophobicContact CB-CG 4.03Å; F126-Y364 HydrophobicContact CD2-CD1 4.01Å; F126-Y364 AromaticContact CD2-CD2 3.32Å; F126-Y364 HydrophobicContact CD2-CD2 3.32Å; F126-Y364 AromaticContact CD2-CE2 3.91Å; F126-Y364 HydrophobicContact CD2-CE2 3.91Å; F126-Y364 AromaticContact CD2-CG 3.36Å; F126-Y364 HydrophobicContact CD2-CG 3.36Å; F126-Y364 AromaticContact CE2-CD2 3.83Å; F126-Y364 HydrophobicContact CE2-CD2 3.83Å; F126-Y364 AromaticContact CE2-CG 3.86Å; F126-Y364 HydrophobicContact CE2-CG 3.86Å; F126-Y364 AromaticContact CG-CD1 4Å; F126-Y364 HydrophobicContact CG-CD1 4Å; F126-Y364 HydrophobicContact CG-CD2 4.13Å; F126-Y364 AromaticContact CG-CG 3.79Å; F126-Y364 HydrophobicContact CG-CG 3.79Å
127E98.4Very high97.8Very high100 Ų10029.6 Ų29.647%0.46715%0.151SC..Hα-helixtrans-93.7-30-173.7-62.7-178.5-175.600113.2Q123 Y364Q123-E127 HydrophobicContact CG-CG 4.13Å; Q123-E127 WeakPolarHBondContact CG-OE2 3.47Å; Q123-E127 PolarHBondContact NE2-OE2 3.5Å; Q123-E127 VanDerWaalsContact O-CB 3.24Å; Q123-E127 WeakPolarHBondContact O-CB 3.41Å; Q123-E127 WeakPolarHBondContact O-CG 3.31Å; Q123-E127 PolarHBondContact O-N 3Å; E127-Y364 HydrophobicContact CG-CE1 4.05Å; E127-Y364 PolarHBondContact OE1-OH 2.96Å
128T98.3Very high97.7Very high66 Ų6629.1 Ų29.141%0.40515%0.148SC..THydrogen-bonded Turntrans-100.8-47.7-179.1-50.10000111.6E85 I124E85-T128 HydrophobicContact CG-CG2 4.35Å; I124-T128 WeakPolarHBondContact O-CA 3.37Å; I124-T128 WeakPolarHBondContact O-CB 3.45Å; I124-T128 PolarHBondContact O-N 3.42Å
129F98.3Very high97.8Very high7 Ų728.5 Ų28.53%0.03115%0.147CC..SBendtrans-93.1-6.5-179-65.7-69000114.1E85 W88 H89 F92 Y93 P100 I124 M125 V131E85-F129 HydrophobicContact CG-CE2 4.06Å; E85-F129 HydrophobicContact CG-CZ 3.92Å; W88-F129 HydrophobicContact CB-CE2 3.74Å; W88-F129 HydrophobicContact CB-CZ 3.69Å; W88-F129 HydrophobicContact CE3-CE2 4.18Å; H89-F129 HydrophobicContact CB-CE1 4.07Å; H89-F129 HydrophobicContact CB-CZ 4.23Å; F92-F129 AromaticContact CD2-CD1 3.87Å; F92-F129 HydrophobicContact CD2-CD1 3.87Å; F92-F129 HydrophobicContact CD2-CE1 4.04Å; F92-F129 HydrophobicContact CD2-CG 4.29Å; F92-F129 HydrophobicContact CE2-CD1 4.09Å; F92-F129 HydrophobicContact CE2-CD2 4.28Å; F92-F129 HydrophobicContact CE2-CE1 4.37Å; F92-F129 HydrophobicContact CE2-CG 4.04Å; Y93-F129 HydrophobicContact CE2-CE1 4.46Å; P100-F129 HydrophobicContact CB-CB 4.22Å; P100-F129 HydrophobicContact CG-CB 4.2Å; P100-F129 HydrophobicContact CG-CD1 4.1Å; I124-F129 HydrophobicContact CG2-CD2 3.86Å; I124-F129 HydrophobicContact CG2-CE2 3.65Å; I124-F129 PolarHBondContact O-N 2.93Å; I124-F129 VanDerWaalsContact O-N 3.13Å; M125-F129 HydrophobicContact CE-CD2 4.47Å; M125-F129 CarbonylContact O-C 3.55Å; M125-F129 WeakPolarHBondContact O-CB 3.39Å; M125-F129 HydrophobicContact SD-CD2 4.14Å; F129-V131 HydrophobicContact CB-CG1 4.13Å; F129-V131 PolarHBondContact O-N 2.86Å; F129-V131 VanDerWaalsContact O-N 3.11Å
130N98.3Very high97.7Very high95 Ų9525.5 Ų25.551%0.50813%0.133SC..  trans50.634.3177.8-64.2-39000114.3E101 M125 F126E101-N130 WeakPolarHBondContact CA-O 3.32Å; E101-N130 HydrophobicContact CB-CB 4.21Å; M125-N130 PolarHBondContact O-N 3.23Å; M125-N130 VanDerWaalsContact O-N 3.08Å; F126-N130 WeakPolarHBondContact O-CA 3.17Å; F126-N130 PolarHBondContact O-OD1 3.35Å
131V98.3Very high97.6Very high0 Ų022.9 Ų22.90%012%0.123CC..  trans-59.7140.2-179.8-57.50000110.5P100 M125 F126 F129 A133 M134P100-V131 HydrophobicContact CB-CG1 4.18Å; M125-V131 HydrophobicContact CB-CG2 3.96Å; M125-V131 WeakPolarHBondContact O-CG2 3.39Å; M125-V131 PolarHBondContact O-N 3.41Å; M125-V131 VanDerWaalsContact O-N 3.14Å; M125-V131 HydrophobicContact SD-CG1 4.42Å; F126-V131 HydrophobicContact CD1-CG2 3.85Å; F126-V131 VanDerWaalsContact CD1-O 3.28Å; F126-V131 WeakPolarHBondContact CD1-O 3.44Å; F126-V131 HydrophobicContact CE1-CG2 3.98Å; F126-V131 WeakPolarHBondContact CE1-O 3.49Å; F129-V131 HydrophobicContact CB-CG1 4.13Å; F129-V131 PolarHBondContact O-N 2.86Å; F129-V131 VanDerWaalsContact O-N 3.11Å; V131-A133 VanDerWaalsContact C-N 3.29Å; V131-A133 PolarHBondContact O-N 3.46Å; V131-M134 HydrophobicContact CG2-CB 4.11Å
132P97.6Very high97.6Very high50 Ų5022.7 Ų22.733%0.32512%0.122SC..SBendtrans-69.1-32.5-177.827-33.9000111.6P100 E101 H103 K361P100-P132 WeakPolarHBondContact O-CD 3.41Å; E101-P132 WeakPolarHBondContact O-CD 3.16Å; H103-P132 WeakPolarHBondContact O-CD 3.38Å; P132-K361 PolarHBondContact O-N 2.9Å
133A97.7Very high97.6Very high10 Ų1022.7 Ų22.78%0.08312%0.122CC..EExtended strand (participates in β ladder)trans-155.8156.917600000111.4P104 T105 V131 W358 I359P104-A133 CarbonylContact C-O 3.52Å; P104-A133 VanDerWaalsContact CA-O 3.29Å; P104-A133 WeakPolarHBondContact CA-O 3.41Å; P104-A133 HydrophobicContact CB-CB 4.26Å; T105-A133 PolarHBondContact N-O 2.92Å; V131-A133 VanDerWaalsContact C-N 3.29Å; V131-A133 PolarHBondContact O-N 3.46Å; A133-W358 HydrophobicContact CB-CB 4.09Å; A133-W358 HydrophobicContact CB-CG 4.43Å; A133-I359 CarbonylContact C-O 3.41Å; A133-I359 WeakPolarHBondContact CA-O 3.43Å; A133-I359 WeakPolarHBondContact CB-O 3.18Å
134M98.1Very high97.6Very high0 Ų020.1 Ų20.10%011%0.11CC..EExtended strand (participates in β ladder)trans-149.1163.3174.566.7170.7-7400113.3T105 L107 T122 M125 F126 V131 V136 I359T105-M134 WeakPolarHBondContact O-CA 3.36Å; T105-M134 VanDerWaalsContact O-CB 3.28Å; T105-M134 WeakPolarHBondContact O-CB 3.34Å; L107-M134 HydrophobicContact CD1-CE 3.84Å; T122-M134 HydrophobicContact CG2-SD 3.96Å; M125-M134 HydrophobicContact CB-CE 4.4Å; M125-M134 HydrophobicContact CB-SD 3.53Å; M125-M134 VanDerWaalsContact CB-SD 3.53Å; M125-M134 HydrophobicContact CG-CE 4.34Å; M125-M134 HydrophobicContact CG-SD 4.09Å; F126-M134 HydrophobicContact CD2-CG 4.34Å; F126-M134 HydrophobicContact CD2-SD 3.98Å; F126-M134 HydrophobicContact CE1-CG 4.3Å; F126-M134 HydrophobicContact CE2-CG 3.56Å; F126-M134 HydrophobicContact CE2-SD 3.72Å; F126-M134 HydrophobicContact CZ-CG 3.55Å; F126-M134 HydrophobicContact CZ-SD 4.27Å; V131-M134 HydrophobicContact CG2-CB 4.11Å; M134-V136 HydrophobicContact CE-CG2 3.52Å; M134-I359 PolarHBondContact N-O 2.99Å; M134-I359 WeakPolarHBondContact O-CB 3.32Å; M134-I359 PolarHBondContact O-N 3.41Å
135Y97.9Very high97.3Very high22 Ų2223.7 Ų23.79%0.08612%0.123CC..EExtended strand (participates in β ladder)trans-144.1144.7172.2-171.7-94.2000109.6T105 L106 L107 A137 F354 M357 C376T105-Y135 PolarHBondContact O-N 3.34Å; T105-Y135 VanDerWaalsContact O-N 3.1Å; L106-Y135 WeakPolarHBondContact CA-O 3.37Å; L106-Y135 HydrophobicContact CD1-CD1 4.48Å; L107-Y135 PolarHBondContact N-O 2.8Å; Y135-A137 HydrophobicContact CD1-CB 4.09Å; Y135-A137 HydrophobicContact CE1-CB 3.92Å; Y135-F354 HydrophobicContact CD1-CE2 4.08Å; Y135-F354 AromaticContact CD1-CZ 3.54Å; Y135-F354 HydrophobicContact CD1-CZ 3.54Å; Y135-F354 HydrophobicContact CD2-CE2 4.32Å; Y135-F354 AromaticContact CD2-CZ 3.97Å; Y135-F354 HydrophobicContact CD2-CZ 3.97Å; Y135-F354 HydrophobicContact CE1-CE2 4.1Å; Y135-F354 HydrophobicContact CE1-CZ 4.04Å; Y135-F354 HydrophobicContact CE2-CE2 4.34Å; Y135-F354 HydrophobicContact CE2-CZ 4.43Å; Y135-F354 HydrophobicContact CG-CE1 4.41Å; Y135-F354 HydrophobicContact CG-CE2 4.18Å; Y135-F354 AromaticContact CG-CZ 3.49Å; Y135-F354 HydrophobicContact CG-CZ 3.49Å; Y135-F354 VanDerWaalsContact CG-CZ 3.49Å; Y135-M357 HydrophobicContact CD2-CB 4.33Å; Y135-M357 WeakPolarHBondContact CD2-O 3.2Å; Y135-M357 HydrophobicContact CE2-CB 4.14Å; Y135-M357 HydrophobicContact CE2-CE 4.2Å; Y135-C376 VanDerWaalsContact CD2-SG 3.5Å; Y135-C376 HydrophobicContact CE2-CB 4.29Å; Y135-C376 WeakPolarHBondContact CE2-SG 3.45Å
136V97.6Very high97.2Very high5 Ų525 Ų253%0.0313%0.134CC..EExtended strand (participates in β ladder)trans-113.1120.9175.3-1770000109L107 E109 R118 M121 M134 V372 C376L107-V136 CarbonylContact O-C 3.58Å; L107-V136 WeakPolarHBondContact O-CA 3.37Å; E109-V136 HydrophobicContact CB-CG1 4.07Å; E109-V136 HydrophobicContact CG-CG1 3.62Å; R118-V136 HydrophobicContact CG-CB 4.47Å; R118-V136 HydrophobicContact CG-CG1 4.25Å; R118-V136 HydrophobicContact CG-CG2 4.42Å; M121-V136 HydrophobicContact SD-CG1 4.49Å; M121-V136 HydrophobicContact SD-CG2 4.13Å; M134-V136 HydrophobicContact CE-CG2 3.52Å; V136-V372 HydrophobicContact CB-CG2 4.33Å; V136-V372 HydrophobicContact CG2-CG2 4.03Å; V136-C376 HydrophobicContact CB-CB 4.47Å; V136-C376 PolarHBondContact N-SG 2.81Å; V136-C376 VanDerWaalsContact N-SG 3.41Å; V136-C376 VanDerWaalsContact O-CB 3.3Å; V136-C376 WeakPolarHBondContact O-CB 3.49Å
137A96.4Very high97Very high6 Ų626.2 Ų26.25%0.0514%0.143CC..EExtended strand (participates in β ladder)trans-114.4146-178.900000112.1L106 L107 T108 E109 Y135 L142L106-A137 HydrophobicContact CD2-CB 4.27Å; L107-A137 PolarHBondContact O-N 3.1Å; T108-A137 VanDerWaalsContact CA-O 3.3Å; T108-A137 WeakPolarHBondContact CA-O 3.36Å; E109-A137 PolarHBondContact N-O 2.93Å; Y135-A137 HydrophobicContact CD1-CB 4.09Å; Y135-A137 HydrophobicContact CE1-CB 3.92Å; A137-L142 HydrophobicContact CB-CD1 3.77Å; A137-L142 HydrophobicContact CB-CD2 3.79Å; A137-L142 HydrophobicContact CB-CG 3.83Å
138I95.3Very high96.7Very high17 Ų1724.9 Ų24.99%0.08716%0.156CC..EExtended strand (participates in β ladder)trans-75.6128.6174.5-60.4173000109.1P111 A140 V141 L142 A172P111-I138 HydrophobicContact CB-CG2 4.44Å; P111-I138 HydrophobicContact CG-CG2 4.06Å; I138-A140 VanDerWaalsContact C-N 3.32Å; I138-A140 HydrophobicContact CG2-CB 4.47Å; I138-A140 PolarHBondContact O-N 2.93Å; I138-V141 HydrophobicContact CB-CB 4.33Å; I138-V141 HydrophobicContact CB-CG2 4Å; I138-V141 HydrophobicContact CG2-CG2 4.29Å; I138-V141 WeakPolarHBondContact O-CB 3.46Å; I138-V141 PolarHBondContact O-N 3.42Å; I138-L142 PolarHBondContact O-N 2.67Å; I138-A172 HydrophobicContact CD1-CB 4.32Å
139Q96.5Very high96.6Very high18 Ų1824.7 Ų24.78%0.08415%0.148CC..Hα-helixtrans-52.6-44.5-175.6-70.6168-18.400113.9T108 E109 V141 L142 S143 V341T108-Q139 PolarHBondContact OG1-NE2 3.49Å; E109-Q139 VanDerWaalsContact O-CG 3.3Å; E109-Q139 WeakPolarHBondContact O-CG 3.49Å; E109-Q139 PolarHBondContact O-N 2.74Å; Q139-V141 PolarHBondContact O-N 3.19Å; Q139-L142 PolarHBondContact O-N 2.78Å; Q139-S143 PolarHBondContact O-N 2.69Å; Q139-S143 PolarHBondContact O-OG 3.02Å; Q139-V341 HydrophobicContact CB-CG1 3.94Å; Q139-V341 HydrophobicContact CB-CG2 3.99Å; Q139-V341 HydrophobicContact CG-CG1 3.86Å
140A96.4Very high96.4Very high0 Ų028 Ų280%017%0.168CC..Hα-helixtrans-65.7-37.9179.400000113I138 S143 L144 V154 V165 I167I138-A140 VanDerWaalsContact C-N 3.32Å; I138-A140 HydrophobicContact CG2-CB 4.47Å; I138-A140 PolarHBondContact O-N 2.93Å; A140-S143 WeakPolarHBondContact O-CB 3.44Å; A140-S143 PolarHBondContact O-N 3.45Å; A140-L144 PolarHBondContact O-N 2.96Å; A140-V154 HydrophobicContact CB-CB 4Å; A140-V154 HydrophobicContact CB-CG1 4.13Å; A140-V154 HydrophobicContact CB-CG2 4.5Å; A140-V154 WeakPolarHBondContact O-CG2 3.48Å; A140-V165 HydrophobicContact CB-CB 3.51Å; A140-V165 HydrophobicContact CB-CG1 3.91Å; A140-V165 HydrophobicContact CB-CG2 3.53Å; A140-I167 HydrophobicContact CB-CD1 4.48Å
141V96.3Very high96.4Very high18 Ų1824.4 Ų24.411%0.10915%0.15CC..Hα-helixtrans-63-45.61781740000110.1I138 Q139 S143 L144 Y145 I167 A172I138-V141 HydrophobicContact CB-CB 4.33Å; I138-V141 HydrophobicContact CB-CG2 4Å; I138-V141 HydrophobicContact CG2-CG2 4.29Å; I138-V141 WeakPolarHBondContact O-CB 3.46Å; I138-V141 PolarHBondContact O-N 3.42Å; Q139-V141 PolarHBondContact O-N 3.19Å; V141-S143 VanDerWaalsContact C-N 3.35Å; V141-S143 PolarHBondContact O-N 3.19Å; V141-L144 PolarHBondContact O-N 3.36Å; V141-Y145 HydrophobicContact CG1-CD2 3.72Å; V141-Y145 HydrophobicContact CG1-CE2 3.4Å; V141-Y145 WeakPolarHBondContact O-CD2 3.44Å; V141-Y145 PolarHBondContact O-N 2.76Å; V141-I167 HydrophobicContact CB-CD1 4.46Å; V141-I167 HydrophobicContact CG2-CD1 4.01Å; V141-I167 HydrophobicContact CG2-CG1 4.23Å; V141-A172 HydrophobicContact CG2-CB 4.05Å
142L97.4Very high96.4Very high0 Ų024.4 Ų24.40%015%0.15CC..Hα-helixtrans-61.3-42.7174.6-61.3-177.5000112.2L106 T108 A137 I138 Q139 L144 Y145 A146 V341 G344 L348L106-L142 HydrophobicContact CD2-CD1 4.13Å; T108-L142 HydrophobicContact CG2-CD1 3.66Å; A137-L142 HydrophobicContact CB-CD1 3.77Å; A137-L142 HydrophobicContact CB-CD2 3.79Å; A137-L142 HydrophobicContact CB-CG 3.83Å; I138-L142 PolarHBondContact O-N 2.67Å; Q139-L142 PolarHBondContact O-N 2.78Å; L142-L144 VanDerWaalsContact C-N 3.29Å; L142-L144 PolarHBondContact O-N 3.17Å; L142-Y145 PolarHBondContact O-N 3.39Å; L142-A146 PolarHBondContact O-N 2.92Å; L142-V341 WeakPolarHBondContact CB-O 3.19Å; L142-V341 HydrophobicContact CD1-CG1 4.24Å; L142-V341 WeakPolarHBondContact CD1-O 3.3Å; L142-G344 WeakPolarHBondContact O-CA 3.15Å; L142-L348 HydrophobicContact CD2-CB 4.36Å; L142-L348 HydrophobicContact CD2-CD2 3.65Å
143S97.4Very high96.4Very high0 Ų022.1 Ų22.10%014%0.135CC..Hα-helixtrans-60.7-38.7177.9-61.70000112.6Q139 A140 V141 S147 S302 V341Q139-S143 PolarHBondContact O-N 2.69Å; Q139-S143 PolarHBondContact O-OG 3.02Å; A140-S143 WeakPolarHBondContact O-CB 3.44Å; A140-S143 PolarHBondContact O-N 3.45Å; V141-S143 VanDerWaalsContact C-N 3.35Å; V141-S143 PolarHBondContact O-N 3.19Å; S143-S147 PolarHBondContact O-N 2.9Å; S143-S302 WeakPolarHBondContact CB-OG 3.23Å; S143-S302 WeakPolarHBondContact OG-CB 3.3Å; S143-S302 PolarHBondContact OG-OG 2.74Å; S143-V341 WeakPolarHBondContact OG-CG2 3.49Å
144L96.8Very high96.5Very high2 Ų221.6 Ų21.61%0.0113%0.131CC..Hα-helixtrans-67.4-44.4176.3-17164.8000111.2A140 V141 L142 A146 S147 R149 V154 I167 V300A140-L144 PolarHBondContact O-N 2.96Å; V141-L144 PolarHBondContact O-N 3.36Å; L142-L144 VanDerWaalsContact C-N 3.29Å; L142-L144 PolarHBondContact O-N 3.17Å; L144-A146 VanDerWaalsContact C-N 3.34Å; L144-A146 PolarHBondContact O-N 3.24Å; L144-S147 WeakPolarHBondContact O-CB 3.36Å; L144-S147 PolarHBondContact O-N 3.09Å; L144-S147 PolarHBondContact O-OG 3.16Å; L144-R149 CarbonylContact C-O 3.53Å; L144-R149 HydrophobicContact CD1-CB 3.72Å; L144-R149 HydrophobicContact CG-CB 3.95Å; L144-R149 PolarHBondContact O-N 3.02Å; L144-V154 HydrophobicContact CB-CG2 3.81Å; L144-V154 HydrophobicContact CD1-CG2 4.21Å; L144-I167 HydrophobicContact CB-CD1 3.91Å; L144-I167 HydrophobicContact CD2-CB 3.65Å; L144-I167 HydrophobicContact CD2-CD1 3.71Å; L144-I167 HydrophobicContact CD2-CG1 4.29Å; L144-I167 HydrophobicContact CD2-CG2 3.69Å; L144-I167 HydrophobicContact CG-CD1 4.43Å; L144-V300 HydrophobicContact CD1-CB 4.43Å; L144-V300 HydrophobicContact CD1-CG2 3.73Å
145Y93.5Very high96.5Very high81 Ų8122 Ų2232%0.31813%0.133SC..Hα-helixtrans-59.8-41.9176.2-80.8-54.3000112.5V141 L142 S147 G148 T150V141-Y145 HydrophobicContact CG1-CD2 3.72Å; V141-Y145 HydrophobicContact CG1-CE2 3.4Å; V141-Y145 WeakPolarHBondContact O-CD2 3.44Å; V141-Y145 PolarHBondContact O-N 2.76Å; L142-Y145 PolarHBondContact O-N 3.39Å; Y145-S147 PolarHBondContact O-N 2.81Å; Y145-S147 VanDerWaalsContact O-N 3.13Å; Y145-G148 PolarHBondContact O-N 3.13Å; Y145-T150 HydrophobicContact CE1-CG2 4.11Å
146A95.7Very high96.5Very high27 Ų2721.5 Ų21.522%0.22313%0.132CC..Hα-helixtrans-57.7-27.8175.300000112.7L142 L144 G148 S340 I343L142-A146 PolarHBondContact O-N 2.92Å; L144-A146 VanDerWaalsContact C-N 3.34Å; L144-A146 PolarHBondContact O-N 3.24Å; A146-G148 VanDerWaalsContact C-N 3.29Å; A146-G148 PolarHBondContact O-N 3.03Å; A146-S340 VanDerWaalsContact CB-O 3.31Å; A146-S340 WeakPolarHBondContact CB-O 3.13Å; A146-I343 HydrophobicContact CB-CB 4.31Å; A146-I343 HydrophobicContact CB-CG2 4.1Å
147S93.8Very high96.6Very high26 Ų2621.4 Ų21.418%0.18213%0.132CC..THydrogen-bonded Turntrans-83.3-0.7176.386.50000114.2S143 L144 Y145 R149S143-S147 PolarHBondContact O-N 2.9Å; L144-S147 WeakPolarHBondContact O-CB 3.36Å; L144-S147 PolarHBondContact O-N 3.09Å; L144-S147 PolarHBondContact O-OG 3.16Å; Y145-S147 PolarHBondContact O-N 2.81Å; Y145-S147 VanDerWaalsContact O-N 3.13Å; S147-R149 PolarHBondContact O-NH1 2.82Å; S147-R149 PolarHBondContact OG-NH1 2.84Å; S147-R149 VanDerWaalsContact OG-NH1 3.11Å
148G93.9Very high96.6Very high72 Ų7222.1 Ų22.174%0.74214%0.139SC*.THydrogen-bonded Turntrans74.232.5-176.400000113.7Y145 A146Y145-G148 PolarHBondContact O-N 3.13Å; A146-G148 VanDerWaalsContact C-N 3.29Å; A146-G148 PolarHBondContact O-N 3.03Å
149R95.4Very high96.6Very high62 Ų6223 Ų2323%0.23414%0.144CC..  trans-128.1152-177.9-68.2174.6-178.167.417.4111.4L144 S147 N298L144-R149 CarbonylContact C-O 3.53Å; L144-R149 HydrophobicContact CD1-CB 3.72Å; L144-R149 HydrophobicContact CG-CB 3.95Å; L144-R149 PolarHBondContact O-N 3.02Å; S147-R149 PolarHBondContact O-NH1 2.82Å; S147-R149 PolarHBondContact OG-NH1 2.84Å; S147-R149 VanDerWaalsContact OG-NH1 3.11Å; R149-N298 VanDerWaalsContact CD-OD1 3.32Å; R149-N298 WeakPolarHBondContact CD-OD1 3.48Å; R149-N298 PolarHBondContact NE-OD1 3.39Å
150T94.3Very high96.6Very high76 Ų7622.2 Ų22.247%0.46614%0.14SC..SBendtrans-114.6-19.3174.553.50000112.6Y145 E169 G170Y145-T150 HydrophobicContact CE1-CG2 4.11Å; T150-E169 PolarHBondContact O-N 2.71Å; T150-G170 PolarHBondContact O-N 3.35Å
151T97.7Very high96.5Very high21 Ų2122.5 Ų22.513%0.12914%0.142CC..SBendtrans-126.6133.2177.2-62.20000109.9I167 Y168 E169 D294T151-I167 WeakPolarHBondContact CA-O 3.25Å; T151-Y168 HydrophobicContact CG2-CD2 3.61Å; T151-Y168 HydrophobicContact CG2-CE2 4.17Å; T151-E169 PolarHBondContact OG1-N 3.05Å; T151-D294 HydrophobicContact CG2-CB 3.82Å
152G98.3Very high96.6Very high0 Ų021.7 Ų21.70%014%0.137CC..EExtended strand (participates in β ladder)trans162179.9-179.500000111.8I167 L295 N298G152-I167 PolarHBondContact N-O 3.22Å; G152-I167 PolarHBondContact O-N 3.23Å; G152-L295 VanDerWaalsContact C-CD2 3.45Å; G152-L295 WeakPolarHBondContact O-CD2 3.3Å; G152-N298 CarbonylContact C-O 3.6Å; G152-N298 VanDerWaalsContact CA-O 3.31Å; G152-N298 WeakPolarHBondContact CA-O 3.46Å
153I98.7Very high96.6Very high1 Ų121.8 Ų21.81%0.00514%0.138CC..EExtended strand (participates in β ladder)trans-116134.3171.8-176.1171.2000108.8N164 P166 I284 N298 N299 V300I153-N164 HydrophobicContact CD1-CB 4.24Å; I153-P166 HydrophobicContact CG1-CB 4.41Å; I153-I284 HydrophobicContact CD1-CD1 4.35Å; I153-I284 HydrophobicContact CD1-CG1 3.72Å; I153-I284 HydrophobicContact CG2-CD1 4.17Å; I153-I284 HydrophobicContact CG2-CG1 4.36Å; I153-N298 PolarHBondContact N-O 2.85Å; I153-N299 HydrophobicContact CG2-CB 4.17Å; I153-N299 WeakPolarHBondContact CG2-OD1 3.23Å; I153-N299 CarbonylContact O-C 3.31Å; I153-N299 WeakPolarHBondContact O-CA 3.41Å; I153-V300 PolarHBondContact O-N 2.89Å
154V98.7Very high96.7Very high0 Ų021.9 Ų21.90%014%0.138CC..EExtended strand (participates in β ladder)trans-105.6122176.9-179.50000109.3A140 L144 D156 N164 V165 I167 V300A140-V154 HydrophobicContact CB-CB 4Å; A140-V154 HydrophobicContact CB-CG1 4.13Å; A140-V154 HydrophobicContact CB-CG2 4.5Å; A140-V154 WeakPolarHBondContact O-CG2 3.48Å; L144-V154 HydrophobicContact CB-CG2 3.81Å; L144-V154 HydrophobicContact CD1-CG2 4.21Å; V154-D156 HydrophobicContact CG1-CB 4.19Å; V154-N164 VanDerWaalsContact O-CA 3.32Å; V154-N164 WeakPolarHBondContact O-CA 3.22Å; V154-V165 PolarHBondContact N-O 3.04Å; V154-V165 PolarHBondContact O-N 2.95Å; V154-I167 HydrophobicContact CG2-CD1 4.01Å; V154-V300 CarbonylContact C-O 3.53Å; V154-V300 VanDerWaalsContact CA-O 3.31Å; V154-V300 WeakPolarHBondContact CA-O 3.35Å; V154-V300 HydrophobicContact CG2-CB 4.3Å
155L98.6Very high96.7Very high7 Ų721.8 Ų21.84%0.03714%0.138CC..EExtended strand (participates in β ladder)trans-90.9100.4162.1176.970.7000107.4T162 H163 N164 I276 V300 L301 S302 M315L155-T162 HydrophobicContact CD1-CG2 3.66Å; L155-H163 CarbonylContact C-O 3.58Å; L155-H163 WeakPolarHBondContact CA-O 3.3Å; L155-N164 WeakPolarHBondContact CD1-OD1 3.23Å; L155-I276 HydrophobicContact CD1-CB 4.19Å; L155-I276 HydrophobicContact CD1-CG2 4.42Å; L155-I276 HydrophobicContact CD2-CB 4.22Å; L155-I276 HydrophobicContact CD2-CD1 4.05Å; L155-V300 PolarHBondContact N-O 3.43Å; L155-L301 HydrophobicContact CB-CD2 3.91Å; L155-L301 HydrophobicContact CD2-CD2 3.87Å; L155-L301 HydrophobicContact CG-CD2 4.38Å; L155-S302 PolarHBondContact O-N 2.88Å; L155-M315 HydrophobicContact CD2-CE 3.9Å; L155-M315 HydrophobicContact CD2-SD 4.28Å
156D98.1Very high97Very high13 Ų1318 Ų187%0.0712%0.123CC..EExtended strand (participates in β ladder)trans-100.5117176.1-169.1-14.8000109.3V154 T162 H163 S302V154-D156 HydrophobicContact CG1-CB 4.19Å; D156-T162 CarbonylContact O-C 3.57Å; D156-T162 VanDerWaalsContact O-CA 3.23Å; D156-T162 WeakPolarHBondContact O-CA 3.42Å; D156-H163 PolarHBondContact N-O 2.87Å; D156-H163 PolarHBondContact O-N 2.68Å; D156-S302 WeakPolarHBondContact CA-O 3.42Å
157S98.4Very high97.1Very high3 Ų316.8 Ų16.82%0.02111%0.113CC..EExtended strand (participates in β ladder)trans-125.3105.3177.2-167.90000110.7T162 S302 G303 G304 T305S157-T162 WeakPolarHBondContact CB-OG1 3.42Å; S157-T162 PolarHBondContact OG-OG1 2.92Å; S157-S302 PolarHBondContact N-O 3.3Å; S157-G303 CarbonylContact O-C 3.57Å; S157-G303 WeakPolarHBondContact O-CA 3.23Å; S157-G304 PolarHBondContact O-N 3.15Å; S157-T305 WeakPolarHBondContact O-CB 3.24Å; S157-T305 PolarHBondContact O-N 2.85Å; S157-T305 WeakPolarHBondContact OG-CB 3.37Å; S157-T305 WeakPolarHBondContact OG-CG2 3.49Å
158G96.9Very high97.3Very high20 Ų2019.3 Ų19.321%0.20612%0.119CC..  trans-94.7-146.1-177.700000113.4V161 A183 G184 T305G158-V161 PolarHBondContact N-O 3.21Å; G158-A183 WeakPolarHBondContact O-CB 3.37Å; G158-G184 PolarHBondContact O-N 3.31Å; G158-G184 VanDerWaalsContact O-N 3.1Å; G158-T305 WeakPolarHBondContact O-CB 3.43Å; G158-T305 PolarHBondContact O-OG1 3.25Å
159D96.7Very high97.3Very high37 Ų3722 Ų2220%0.19811%0.112CC..SBendtrans-83.4-45.4175.9-174.858000112G17 A183 G184 R185G17-D159 WeakPolarHBondContact CA-OD2 3.34Å; D159-A183 CarbonylContact O-C 3.59Å; D159-A183 VanDerWaalsContact O-CB 3.28Å; D159-A183 WeakPolarHBondContact O-CB 3.34Å; D159-G184 PolarHBondContact O-N 3.31Å; D159-G184 VanDerWaalsContact O-N 3.09Å; D159-R185 WeakPolarHBondContact O-CB 3.36Å; D159-R185 PolarHBondContact O-N 3.39Å; D159-R185 PolarHBondContact OD1-N 3.31Å; D159-R185 IonicContact OD2-CZ 3.97Å; D159-R185 VanDerWaalsContact OD2-CZ 3.29Å; D159-R185 IonicContact OD2-NE 3.05Å; D159-R185 PolarHBondContact OD2-NE 2.9Å; D159-R185 IonicContact OD2-NH2 2.6Å; D159-R185 PolarHBondContact OD2-NH2 3.14Å
160G94.8Very high97.1Very high0 Ų019.7 Ų19.70%011%0.107CC..SBendtrans-107-11.8-175.300000116.4S16 H75S16-G160 PolarHBondContact OG-N 2.92Å; H75-G160 WeakPolarHBondContact CA-O 3.28Å; H75-G160 PolarHBondContact ND1-O 3.24Å
161V96.1Very high97Very high7 Ų723.8 Ų23.84%0.04212%0.115CC..  trans-154.5150.2-174.864.60000111.9G158 H163 R179G158-V161 PolarHBondContact N-O 3.21Å; V161-H163 WeakPolarHBondContact CG1-CE1 3.39Å; V161-H163 WeakPolarHBondContact CG2-CE1 3.32Å; V161-R179 HydrophobicContact CG2-CG 3.96Å
162T97.9Very high96.9Very high0 Ų023.5 Ų23.50%012%0.115CC..EExtended strand (participates in β ladder)trans-117.9135.2170.9-60.40000110.3L155 D156 S157 L180 L182 I276L155-T162 HydrophobicContact CD1-CG2 3.66Å; D156-T162 CarbonylContact O-C 3.57Å; D156-T162 VanDerWaalsContact O-CA 3.23Å; D156-T162 WeakPolarHBondContact O-CA 3.42Å; S157-T162 WeakPolarHBondContact CB-OG1 3.42Å; S157-T162 PolarHBondContact OG-OG1 2.92Å; T162-L180 PolarHBondContact N-O 3.14Å; T162-L180 PolarHBondContact O-N 2.86Å; T162-L182 WeakPolarHBondContact CB-O 3.46Å; T162-L182 PolarHBondContact OG1-O 3.39Å; T162-I276 HydrophobicContact CG2-CG2 3.95Å
163H97.4Very high96.8Very high3 Ų325 Ų251%0.01412%0.123CC..EExtended strand (participates in β ladder)trans-129.8144.4177.8-61.6100.8000111.5P111 L155 D156 V161 V165 M178P111-H163 HydrophobicContact CG-CB 4.11Å; L155-H163 CarbonylContact C-O 3.58Å; L155-H163 WeakPolarHBondContact CA-O 3.3Å; D156-H163 PolarHBondContact N-O 2.87Å; D156-H163 PolarHBondContact O-N 2.68Å; V161-H163 WeakPolarHBondContact CG1-CE1 3.39Å; V161-H163 WeakPolarHBondContact CG2-CE1 3.32Å; H163-V165 HydrophobicContact CB-CG2 4.03Å; H163-M178 CarbonylContact C-O 3.59Å; H163-M178 WeakPolarHBondContact CA-O 3.34Å
164N98.3Very high96.6Very high2 Ų228.8 Ų28.81%0.01115%0.148CC..EExtended strand (participates in β ladder)trans-110.7115.3161.8-68.9-82000108.3I153 V154 L155 I177 M178 T279 A280I153-N164 HydrophobicContact CD1-CB 4.24Å; V154-N164 VanDerWaalsContact O-CA 3.32Å; V154-N164 WeakPolarHBondContact O-CA 3.22Å; L155-N164 WeakPolarHBondContact CD1-OD1 3.23Å; N164-I177 WeakPolarHBondContact O-CA 3.24Å; N164-M178 HydrophobicContact CB-CB 4.21Å; N164-M178 PolarHBondContact N-O 2.79Å; N164-M178 PolarHBondContact O-N 3Å; N164-T279 WeakPolarHBondContact ND2-CB 3.47Å; N164-T279 PolarHBondContact ND2-OG1 3.22Å; N164-A280 PolarHBondContact ND2-N 2.96Å; N164-A280 WeakPolarHBondContact OD1-CA 3.15Å; N164-A280 VanDerWaalsContact OD1-CB 3.3Å; N164-A280 WeakPolarHBondContact OD1-CB 3.13Å
165V98.4Very high96.5Very high0 Ų034.1 Ų34.10%017%0.173CC..EExtended strand (participates in β ladder)trans-120.8104.7-176.3-173.60000108.8P111 A140 V154 H163 I167 A172 I177P111-V165 HydrophobicContact CB-CG2 3.99Å; P111-V165 HydrophobicContact CG-CG2 3.48Å; P111-V165 VanDerWaalsContact CG-CG2 3.48Å; A140-V165 HydrophobicContact CB-CB 3.51Å; A140-V165 HydrophobicContact CB-CG1 3.91Å; A140-V165 HydrophobicContact CB-CG2 3.53Å; V154-V165 PolarHBondContact N-O 3.04Å; V154-V165 PolarHBondContact O-N 2.95Å; H163-V165 HydrophobicContact CB-CG2 4.03Å; V165-I167 HydrophobicContact CG1-CD1 4.41Å; V165-I167 HydrophobicContact CG1-CG1 4.04Å; V165-A172 HydrophobicContact CG1-CB 3.89Å; V165-I177 HydrophobicContact CG1-CD1 4.25Å; V165-I177 HydrophobicContact CG1-CG1 4.15Å; V165-I177 HydrophobicContact CG2-CG2 4.34Å
166P98.4Very high96.5Very high0 Ų033.8 Ų33.80%017%0.171CC..EExtended strand (participates in β ladder)trans-77.4133.317228-25.1000109.2I153 L173 A176 S283 L295I153-P166 HydrophobicContact CG1-CB 4.41Å; P166-L173 HydrophobicContact CB-CD1 4.33Å; P166-L173 HydrophobicContact CG-CB 4.22Å; P166-L173 PolarHBondContact O-N 3.15Å; P166-A176 HydrophobicContact CG-CB 3.49Å; P166-A176 VanDerWaalsContact CG-CB 3.49Å; P166-S283 WeakPolarHBondContact CD-OG 3.28Å; P166-S283 WeakPolarHBondContact CG-OG 3.14Å; P166-L295 HydrophobicContact CB-CD1 4.06Å; P166-L295 HydrophobicContact CB-CD2 4.22Å
167I98.4Very high96.5Very high2 Ų234 Ų341%0.0117%0.171CC..EExtended strand (participates in β ladder)trans-129.3133.4-175-59.8157.2000107.6A140 V141 L144 T151 G152 V154 V165 Y171 A172A140-I167 HydrophobicContact CB-CD1 4.48Å; V141-I167 HydrophobicContact CB-CD1 4.46Å; V141-I167 HydrophobicContact CG2-CD1 4.01Å; V141-I167 HydrophobicContact CG2-CG1 4.23Å; L144-I167 HydrophobicContact CB-CD1 3.91Å; L144-I167 HydrophobicContact CD2-CB 3.65Å; L144-I167 HydrophobicContact CD2-CD1 3.71Å; L144-I167 HydrophobicContact CD2-CG1 4.29Å; L144-I167 HydrophobicContact CD2-CG2 3.69Å; L144-I167 HydrophobicContact CG-CD1 4.43Å; T151-I167 WeakPolarHBondContact CA-O 3.25Å; G152-I167 PolarHBondContact N-O 3.22Å; G152-I167 PolarHBondContact O-N 3.23Å; V154-I167 HydrophobicContact CG2-CD1 4.01Å; V165-I167 HydrophobicContact CG1-CD1 4.41Å; V165-I167 HydrophobicContact CG1-CG1 4.04Å; I167-Y171 CarbonylContact C-O 3.58Å; I167-Y171 VanDerWaalsContact CA-O 3.3Å; I167-Y171 WeakPolarHBondContact CA-O 3.5Å; I167-A172 HydrophobicContact CG1-CB 4.37Å
168Y97.2Very high96.4Very high80 Ų8035.6 Ų35.631%0.31418%0.179SC..EExtended strand (participates in β ladder)trans-129.4122.6177.7-173.3-101.6000109.4T151 G170 Y171 I291T151-Y168 HydrophobicContact CG2-CD2 3.61Å; T151-Y168 HydrophobicContact CG2-CE2 4.17Å; Y168-G170 PolarHBondContact O-N 2.94Å; Y168-G170 VanDerWaalsContact O-N 3.13Å; Y168-Y171 PolarHBondContact N-O 3.19Å; Y168-Y171 PolarHBondContact O-N 3.32Å; Y168-I291 HydrophobicContact CD2-CB 3.99Å; Y168-I291 HydrophobicContact CD2-CD1 4.41Å; Y168-I291 HydrophobicContact CD2-CG2 3.61Å; Y168-I291 HydrophobicContact CE2-CB 4.09Å; Y168-I291 HydrophobicContact CE2-CG2 3.38Å; Y168-I291 HydrophobicContact CG-CG2 4.29Å
169E94.6Very high96.4Very high128 Ų12838.9 Ų38.960%0.59819%0.185SC*.THydrogen-bonded Turntrans50.537.6-179.3-60.8-169.1148.900114T150 T151 Y171T150-E169 PolarHBondContact O-N 2.71Å; T151-E169 PolarHBondContact OG1-N 3.05Å; E169-Y171 WeakPolarHBondContact O-CD2 3.43Å
170G90.4Very high96.3Very high13 Ų1337.6 Ų37.613%0.13418%0.178CC..THydrogen-bonded Turntrans89.4-7.9179.900000115.2T150 Y168T150-G170 PolarHBondContact O-N 3.35Å; Y168-G170 PolarHBondContact O-N 2.94Å; Y168-G170 VanDerWaalsContact O-N 3.13Å
171Y92.1Very high96.3Very high162 Ų16240.8 Ų40.864%0.63520%0.196SC*.EExtended strand (participates in β ladder)trans-101.4123.9179.9-61.3-85.3000111.5I167 Y168 E169I167-Y171 CarbonylContact C-O 3.58Å; I167-Y171 VanDerWaalsContact CA-O 3.3Å; I167-Y171 WeakPolarHBondContact CA-O 3.5Å; Y168-Y171 PolarHBondContact N-O 3.19Å; Y168-Y171 PolarHBondContact O-N 3.32Å; E169-Y171 WeakPolarHBondContact O-CD2 3.43Å
172A95.8Very high96.4Very high15 Ų1540.4 Ų40.412%0.12419%0.193CC..EExtended strand (participates in β ladder)trans-66.6139.4170.200000110.1I138 V141 V165 I167 P174I138-A172 HydrophobicContact CD1-CB 4.32Å; V141-A172 HydrophobicContact CG2-CB 4.05Å; V165-A172 HydrophobicContact CG1-CB 3.89Å; I167-A172 HydrophobicContact CG1-CB 4.37Å; A172-P174 WeakPolarHBondContact O-CD 3.49Å
173L96.6Very high96.3Very high31 Ų3140.4 Ų40.416%0.16219%0.193CC..  trans-96.696.1-179.2-58.2176.6000110.3P166 H175 A176 I177 I291P166-L173 HydrophobicContact CB-CD1 4.33Å; P166-L173 HydrophobicContact CG-CB 4.22Å; P166-L173 PolarHBondContact O-N 3.15Å; L173-H175 VanDerWaalsContact C-N 3.31Å; L173-H175 PolarHBondContact O-N 2.83Å; L173-A176 HydrophobicContact CB-CB 4.4Å; L173-A176 PolarHBondContact O-N 2.84Å; L173-I177 PolarHBondContact O-N 2.65Å; L173-I291 HydrophobicContact CD1-CD1 3.5Å
174P95Very high96.4Very high81 Ų8140.3 Ų40.353%0.52619%0.193SC..G310 helixtrans-65.7-32.6-163.4-22.836.7000113.9L112 A172 A176 I177L112-P174 HydrophobicContact CD2-CB 4.42Å; A172-P174 WeakPolarHBondContact O-CD 3.49Å; P174-A176 PolarHBondContact O-N 3.14Å; P174-I177 PolarHBondContact O-N 3.43Å
175H96.4Very high96.3Very high113 Ų11342.1 Ų42.152%0.52320%0.2SC..G310 helixtrans-67.7-20.1179.362-88.3000113.4L173L173-H175 VanDerWaalsContact C-N 3.31Å; L173-H175 PolarHBondContact O-N 2.83Å
176A97.9Very high96.2Very high0 Ų043.9 Ų43.90%021%0.209CC..G310 helixtrans-107.11.1-177.600000113.2P166 L173 P174 M178 S283 K286 C287P166-A176 HydrophobicContact CG-CB 3.49Å; P166-A176 VanDerWaalsContact CG-CB 3.49Å; L173-A176 HydrophobicContact CB-CB 4.4Å; L173-A176 PolarHBondContact O-N 2.84Å; P174-A176 PolarHBondContact O-N 3.14Å; A176-M178 PolarHBondContact O-N 2.91Å; A176-S283 WeakPolarHBondContact O-CB 3.35Å; A176-S283 PolarHBondContact O-OG 3.42Å; A176-K286 HydrophobicContact CB-CB 3.76Å; A176-C287 WeakPolarHBondContact CB-SG 3.34Å
177I98Very high96.2Very high16 Ų1643.9 Ų43.98%0.08221%0.209CC..  trans-66.4130.5174.3-63174.6000109.5P111 L112 N164 V165 L173 P174P111-I177 HydrophobicContact CB-CD1 4.15Å; P111-I177 HydrophobicContact CB-CG2 4.07Å; L112-I177 HydrophobicContact CD1-CB 4.13Å; L112-I177 HydrophobicContact CD1-CG2 3.89Å; L112-I177 HydrophobicContact CD2-CD1 4.06Å; L112-I177 HydrophobicContact CG-CB 4.4Å; L112-I177 HydrophobicContact CG-CD1 4.14Å; L112-I177 HydrophobicContact CG-CG2 4.14Å; N164-I177 WeakPolarHBondContact O-CA 3.24Å; V165-I177 HydrophobicContact CG1-CD1 4.25Å; V165-I177 HydrophobicContact CG1-CG1 4.15Å; V165-I177 HydrophobicContact CG2-CG2 4.34Å; L173-I177 PolarHBondContact O-N 2.65Å; P174-I177 PolarHBondContact O-N 3.43Å
178M97.8Very high96.2Very high38 Ų3843.9 Ų43.919%0.18721%0.209CC..EExtended strand (participates in β ladder)trans-113.1129.9171.9-58.4-68.7-70.700108.8H163 N164 A176 N282 K286H163-M178 CarbonylContact C-O 3.59Å; H163-M178 WeakPolarHBondContact CA-O 3.34Å; N164-M178 HydrophobicContact CB-CB 4.21Å; N164-M178 PolarHBondContact N-O 2.79Å; N164-M178 PolarHBondContact O-N 3Å; A176-M178 PolarHBondContact O-N 2.91Å; M178-N282 HydrophobicContact CE-CB 4.29Å; M178-K286 HydrophobicContact SD-CD 4.06Å; M178-K286 PolarHBondContact SD-NZ 2.95Å
179R95.3Very high96.2Very high88 Ų8843.1 Ų43.133%0.33221%0.21SC..EExtended strand (participates in β ladder)trans-113.6137.9176.9175.1174.4167.9148.22.4109.4H75 V161 D181H75-R179 PolarHBondContact O-NH2 3.13Å; V161-R179 HydrophobicContact CG2-CG 3.96Å; R179-D181 IonicContact CZ-OD1 2.81Å; R179-D181 VanDerWaalsContact CZ-OD1 3.28Å; R179-D181 IonicContact NE-OD1 3.27Å; R179-D181 PolarHBondContact NE-OD1 3.39Å; R179-D181 IonicContact NE-OD2 2.9Å; R179-D181 IonicContact NH2-OD1 3.31Å; R179-D181 PolarHBondContact NH2-OD1 3.19Å; R179-D181 IonicContact NH2-OD2 3.23Å
180L95.9Very high96.3Very high10 Ų1037.8 Ų37.85%0.05219%0.185CC..EExtended strand (participates in β ladder)trans-133.1115.1175.9175.764.8000108.2T162 L182 M271 S273 I276T162-L180 PolarHBondContact N-O 3.14Å; T162-L180 PolarHBondContact O-N 2.86Å; L180-L182 HydrophobicContact CD1-CB 4.2Å; L180-L182 HydrophobicContact CD2-CB 4.16Å; L180-L182 HydrophobicContact CD2-CD2 4.38Å; L180-L182 HydrophobicContact CG-CB 3.87Å; L180-L182 PolarHBondContact O-N 3.49Å; L180-M271 HydrophobicContact CD1-CE 4.29Å; L180-S273 WeakPolarHBondContact CD1-OG 3.39Å; L180-I276 HydrophobicContact CD2-CG2 4.15Å
181D95Very high96.7Very high67 Ų6737.2 Ų37.236%0.35818%0.179SC..SBendtrans-80.454.2176.5-65.9-27000110.6R179R179-D181 IonicContact CZ-OD1 2.81Å; R179-D181 VanDerWaalsContact CZ-OD1 3.28Å; R179-D181 IonicContact NE-OD1 3.27Å; R179-D181 PolarHBondContact NE-OD1 3.39Å; R179-D181 IonicContact NE-OD2 2.9Å; R179-D181 IonicContact NH2-OD1 3.31Å; R179-D181 PolarHBondContact NH2-OD1 3.19Å; R179-D181 IonicContact NH2-OD2 3.23Å
182L96.8Very high96.9Very high0 Ų031.6 Ų31.60%016%0.159CC..  trans-138.3120.8172.6165.561000107.8T162 L180 D186 L187 T262 L263 P266 I269 M271T162-L182 WeakPolarHBondContact CB-O 3.46Å; T162-L182 PolarHBondContact OG1-O 3.39Å; L180-L182 HydrophobicContact CD1-CB 4.2Å; L180-L182 HydrophobicContact CD2-CB 4.16Å; L180-L182 HydrophobicContact CD2-CD2 4.38Å; L180-L182 HydrophobicContact CG-CB 3.87Å; L180-L182 PolarHBondContact O-N 3.49Å; L182-D186 HydrophobicContact CD1-CB 3.58Å; L182-L187 HydrophobicContact CD1-CD2 4.38Å; L182-T262 HydrophobicContact CD1-CG2 4.27Å; L182-T262 HydrophobicContact CD2-CG2 4.23Å; L182-T262 WeakPolarHBondContact CD2-O 3.44Å; L182-L263 HydrophobicContact CG-CD2 4.48Å; L182-P266 HydrophobicContact CD2-CB 3.96Å; L182-P266 HydrophobicContact CD2-CG 3.92Å; L182-I269 HydrophobicContact CD1-CD1 3.45Å; L182-I269 VanDerWaalsContact CD1-CD1 3.45Å; L182-I269 HydrophobicContact CD2-CD1 4.37Å; L182-I269 HydrophobicContact CG-CD1 4.42Å; L182-M271 HydrophobicContact CB-CE 4.17Å; L182-M271 HydrophobicContact CB-SD 4.06Å
183A97.6Very high97Very high0 Ų036.4 Ų36.40%018%0.177CC..SBendtrans-157.2-160.7-17600000112.2G158 D159 R185 D186 L187G158-A183 WeakPolarHBondContact O-CB 3.37Å; D159-A183 CarbonylContact O-C 3.59Å; D159-A183 VanDerWaalsContact O-CB 3.28Å; D159-A183 WeakPolarHBondContact O-CB 3.34Å; A183-R185 PolarHBondContact O-N 2.83Å; A183-R185 VanDerWaalsContact O-N 3.15Å; A183-D186 PolarHBondContact N-OD2 3.19Å; A183-D186 PolarHBondContact O-N 3.43Å; A183-L187 WeakPolarHBondContact O-CG 3.44Å; A183-L187 PolarHBondContact O-N 3.32Å; A183-L187 VanDerWaalsContact O-N 3.11Å
184G97.8Very high97Very high0 Ų035 Ų350%017%0.17CC..Hα-helixtrans-56.8-32.7-170.500000115.1G158 D159 T188 K215 T305G158-G184 PolarHBondContact O-N 3.31Å; G158-G184 VanDerWaalsContact O-N 3.1Å; D159-G184 PolarHBondContact O-N 3.31Å; D159-G184 VanDerWaalsContact O-N 3.09Å; G184-T188 PolarHBondContact O-N 2.86Å; G184-T188 VanDerWaalsContact O-N 3.09Å; G184-T188 PolarHBondContact O-OG1 2.87Å; G184-K215 PolarHBondContact O-NZ 3Å; G184-T305 WeakPolarHBondContact CA-OG1 3.34Å; G184-T305 PolarHBondContact N-OG1 3.06Å; G184-T305 VanDerWaalsContact N-OG1 3.11Å
185R96.1Very high97.1Very high40 Ų4031.1 Ų31.115%0.15115%0.145CC..Hα-helixtrans-67.4-49.2179.5-171.1176.5-62.81730.6111S16 D159 A183 L187 T188 D189 R208S16-R185 PolarHBondContact O-NH2 2.82Å; D159-R185 WeakPolarHBondContact O-CB 3.36Å; D159-R185 PolarHBondContact O-N 3.39Å; D159-R185 PolarHBondContact OD1-N 3.31Å; D159-R185 IonicContact OD2-CZ 3.97Å; D159-R185 VanDerWaalsContact OD2-CZ 3.29Å; D159-R185 IonicContact OD2-NE 3.05Å; D159-R185 PolarHBondContact OD2-NE 2.9Å; D159-R185 IonicContact OD2-NH2 2.6Å; D159-R185 PolarHBondContact OD2-NH2 3.14Å; A183-R185 PolarHBondContact O-N 2.83Å; A183-R185 VanDerWaalsContact O-N 3.15Å; R185-L187 VanDerWaalsContact C-N 3.29Å; R185-L187 PolarHBondContact O-N 2.91Å; R185-T188 WeakPolarHBondContact O-CB 3.27Å; R185-T188 PolarHBondContact O-N 3.32Å; R185-T188 VanDerWaalsContact O-N 3.14Å; R185-D189 PolarHBondContact O-N 2.77Å; R185-D189 VanDerWaalsContact O-N 3.09Å; R185-R208 PolarHBondContact O-NH2 2.88Å; R185-R208 VanDerWaalsContact O-NH2 3.1Å
186D97.4Very high97.1Very high38 Ų3828.8 Ų28.820%0.20314%0.138CC..Hα-helixtrans-62.9-38.5178-46.6-77.7000110.8L182 A183 T188 D189 Y190L182-D186 HydrophobicContact CD1-CB 3.58Å; A183-D186 PolarHBondContact N-OD2 3.19Å; A183-D186 PolarHBondContact O-N 3.43Å; D186-T188 VanDerWaalsContact C-N 3.34Å; D186-T188 PolarHBondContact O-N 3.21Å; D186-D189 PolarHBondContact O-N 3.31Å; D186-Y190 WeakPolarHBondContact O-CB 3.25Å; D186-Y190 PolarHBondContact O-N 3.47Å
187L98.4Very high96.9Very high0 Ų034.4 Ų34.40%017%0.165CC..Hα-helixtrans-64.1-37.9175.1-63.7-174.9000112.5L182 A183 R185 L191 K215 C259 T262 L263 T305 Y308L182-L187 HydrophobicContact CD1-CD2 4.38Å; A183-L187 WeakPolarHBondContact O-CG 3.44Å; A183-L187 PolarHBondContact O-N 3.32Å; A183-L187 VanDerWaalsContact O-N 3.11Å; R185-L187 VanDerWaalsContact C-N 3.29Å; R185-L187 PolarHBondContact O-N 2.91Å; L187-L191 WeakPolarHBondContact O-CB 3.46Å; L187-L191 PolarHBondContact O-N 3.2Å; L187-K215 HydrophobicContact CB-CD 4.05Å; L187-C259 PolarHBondContact O-SG 3.49Å; L187-T262 HydrophobicContact CD2-CG2 4.28Å; L187-L263 HydrophobicContact CD1-CD1 4.08Å; L187-L263 HydrophobicContact CD1-CD2 4.05Å; L187-L263 HydrophobicContact CD1-CG 3.96Å; L187-L263 HydrophobicContact CD2-CD2 4.45Å; L187-L263 HydrophobicContact CD2-CG 4.34Å; L187-T305 HydrophobicContact CD1-CG2 3.65Å; L187-Y308 HydrophobicContact CD1-CE2 3.65Å; L187-Y308 VanDerWaalsContact CD1-OH 3.3Å; L187-Y308 WeakPolarHBondContact CD1-OH 3.2Å
188T98Very high96.6Very high1 Ų137.9 Ų37.91%0.00618%0.176CC..Hα-helixtrans-64.1-43.5173.7-71.70000110.9G184 R185 D186 L191 M192 R208 V211 R212 K215G184-T188 PolarHBondContact O-N 2.86Å; G184-T188 VanDerWaalsContact O-N 3.09Å; G184-T188 PolarHBondContact O-OG1 2.87Å; R185-T188 WeakPolarHBondContact O-CB 3.27Å; R185-T188 PolarHBondContact O-N 3.32Å; R185-T188 VanDerWaalsContact O-N 3.14Å; D186-T188 VanDerWaalsContact C-N 3.34Å; D186-T188 PolarHBondContact O-N 3.21Å; T188-L191 PolarHBondContact O-N 3.31Å; T188-M192 PolarHBondContact O-N 3.18Å; T188-R208 HydrophobicContact CG2-CG 3.95Å; T188-V211 HydrophobicContact CG2-CB 4.43Å; T188-V211 HydrophobicContact CG2-CG1 4.26Å; T188-R212 HydrophobicContact CG2-CB 4.05Å; T188-K215 WeakPolarHBondContact OG1-CD 3.34Å; T188-K215 PolarHBondContact OG1-NZ 3.18Å
189D96.6Very high96.5Very high64 Ų6439 Ų3934%0.34220%0.199SC..Hα-helixtrans-67.8-39.2179.5-65.7-35.5000111.9R185 D186 M192 K193 R208R185-D189 PolarHBondContact O-N 2.77Å; R185-D189 VanDerWaalsContact O-N 3.09Å; D186-D189 PolarHBondContact O-N 3.31Å; D189-M192 WeakPolarHBondContact O-CB 3.36Å; D189-M192 PolarHBondContact O-N 2.97Å; D189-K193 PolarHBondContact O-N 2.94Å; D189-K193 VanDerWaalsContact O-N 3.07Å; D189-R208 IonicContact OD1-CZ 2.72Å; D189-R208 VanDerWaalsContact OD1-CZ 3.23Å; D189-R208 IonicContact OD1-NE 2.89Å; D189-R208 PolarHBondContact OD1-NE 3.2Å; D189-R208 IonicContact OD1-NH2 3.12Å; D189-R208 PolarHBondContact OD1-NH2 3.36Å; D189-R208 IonicContact OD2-CZ 3.07Å; D189-R208 IonicContact OD2-NE 3.76Å; D189-R208 IonicContact OD2-NH2 2.72Å; D189-R208 PolarHBondContact OD2-NH2 2.66Å
190Y98Very high96.4Very high17 Ų1737.5 Ų37.57%0.06719%0.193CC..Hα-helixtrans-65.4-42.4173.4178.8-121.9000112.4D186 M192 K193 I194 C259 T262 F268 I269D186-Y190 WeakPolarHBondContact O-CB 3.25Å; D186-Y190 PolarHBondContact O-N 3.47Å; Y190-M192 VanDerWaalsContact C-N 3.27Å; Y190-M192 PolarHBondContact O-N 3.06Å; Y190-K193 WeakPolarHBondContact O-CB 3.2Å; Y190-K193 PolarHBondContact O-N 3.17Å; Y190-K193 VanDerWaalsContact O-N 3.15Å; Y190-I194 HydrophobicContact CD1-CD1 4.46Å; Y190-I194 HydrophobicContact CD2-CG2 4.14Å; Y190-I194 HydrophobicContact CE1-CD1 4.1Å; Y190-I194 HydrophobicContact CE1-CG2 4.3Å; Y190-I194 HydrophobicContact CE2-CG2 3.52Å; Y190-I194 PolarHBondContact O-N 2.89Å; Y190-C259 HydrophobicContact CD1-CB 4.49Å; Y190-T262 WeakPolarHBondContact CD1-OG1 3.49Å; Y190-T262 WeakPolarHBondContact CE1-OG1 3.47Å; Y190-F268 HydrophobicContact CE1-CB 4.46Å; Y190-F268 HydrophobicContact CE1-CD2 4.32Å; Y190-F268 HydrophobicContact CE2-CB 4.46Å; Y190-F268 WeakPolarHBondContact OH-CD2 3.44Å; Y190-I269 HydrophobicContact CD1-CG2 4.4Å; Y190-I269 HydrophobicContact CD2-CG2 3.54Å; Y190-I269 HydrophobicContact CE2-CG2 4.26Å; Y190-I269 HydrophobicContact CG-CG2 3.62Å
191L98.3Very high96.2Very high0 Ų040.8 Ų40.80%022%0.217CC..Hα-helixtrans-59.5-41.7174.8-177.659.5000110.9L187 T188 K193 I194 L195 V211 I214 K215 E255 C259L187-L191 WeakPolarHBondContact O-CB 3.46Å; L187-L191 PolarHBondContact O-N 3.2Å; T188-L191 PolarHBondContact O-N 3.31Å; L191-K193 VanDerWaalsContact C-N 3.3Å; L191-K193 PolarHBondContact O-N 2.87Å; L191-I194 HydrophobicContact CD1-CD1 4.06Å; L191-I194 HydrophobicContact CD1-CG1 4.12Å; L191-I194 WeakPolarHBondContact O-CG1 3.42Å; L191-I194 PolarHBondContact O-N 2.88Å; L191-L195 HydrophobicContact CD1-CD1 4.1Å; L191-L195 HydrophobicContact CD1-CG 4.02Å; L191-L195 HydrophobicContact CD2-CD1 4.47Å; L191-L195 HydrophobicContact CG-CD1 3.83Å; L191-L195 HydrophobicContact CG-CG 4.22Å; L191-L195 WeakPolarHBondContact O-CB 3.43Å; L191-L195 WeakPolarHBondContact O-CG 3.34Å; L191-L195 PolarHBondContact O-N 3.12Å; L191-V211 HydrophobicContact CB-CG1 3.88Å; L191-V211 HydrophobicContact CD2-CG1 3.8Å; L191-V211 HydrophobicContact CG-CG1 3.75Å; L191-I214 HydrophobicContact CD2-CG2 4.13Å; L191-K215 HydrophobicContact CD2-CB 3.67Å; L191-K215 HydrophobicContact CD2-CG 4.36Å; L191-E255 HydrophobicContact CD1-CB 3.98Å; L191-C259 HydrophobicContact CB-CB 4.24Å; L191-C259 HydrophobicContact CD1-CB 4.03Å
192M97.3Very high96Very high45 Ų4538.3 Ų38.322%0.22220%0.203CC..Hα-helixtrans-59.2-42.2176.5-162.7172.283.300111.7T188 D189 Y190 T196 F202 R208 V211T188-M192 PolarHBondContact O-N 3.18Å; D189-M192 WeakPolarHBondContact O-CB 3.36Å; D189-M192 PolarHBondContact O-N 2.97Å; Y190-M192 VanDerWaalsContact C-N 3.27Å; Y190-M192 PolarHBondContact O-N 3.06Å; M192-T196 PolarHBondContact O-N 2.9Å; M192-T196 PolarHBondContact O-OG1 2.81Å; M192-F202 HydrophobicContact CG-CB 3.86Å; M192-F202 HydrophobicContact SD-CB 4.18Å; M192-F202 VanDerWaalsContact SD-O 3.42Å; M192-R208 HydrophobicContact SD-CB 4.41Å; M192-R208 HydrophobicContact SD-CG 4.42Å; M192-V211 HydrophobicContact CB-CG1 4.12Å; M192-V211 HydrophobicContact CB-CG2 4.41Å; M192-V211 HydrophobicContact CG-CG2 4.18Å
193K96.4Very high95.6Very high116 Ų11643.7 Ų43.750%0.50424%0.236SC..Hα-helixtrans-61.6-52.7176-179.1-174.3172.3-172.50112D189 Y190 L191 L195 T196 E197D189-K193 PolarHBondContact O-N 2.94Å; D189-K193 VanDerWaalsContact O-N 3.07Å; Y190-K193 WeakPolarHBondContact O-CB 3.2Å; Y190-K193 PolarHBondContact O-N 3.17Å; Y190-K193 VanDerWaalsContact O-N 3.15Å; L191-K193 VanDerWaalsContact C-N 3.3Å; L191-K193 PolarHBondContact O-N 2.87Å; K193-L195 VanDerWaalsContact C-N 3.31Å; K193-L195 PolarHBondContact O-N 2.9Å; K193-T196 WeakPolarHBondContact O-CA 3.35Å; K193-T196 VanDerWaalsContact O-CB 3.31Å; K193-T196 WeakPolarHBondContact O-CB 3.36Å; K193-T196 PolarHBondContact O-N 3.1Å; K193-T196 VanDerWaalsContact O-N 3.09Å; K193-E197 PolarHBondContact O-N 3.27Å
194I97.3Very high95.1Very high1 Ų147 Ų471%0.00526%0.256CS..Hα-helixtrans-71.8-24.8-177.164.8-177.8000113Y190 L191 E197 R198 E255 R258 C259Y190-I194 HydrophobicContact CD1-CD1 4.46Å; Y190-I194 HydrophobicContact CD2-CG2 4.14Å; Y190-I194 HydrophobicContact CE1-CD1 4.1Å; Y190-I194 HydrophobicContact CE1-CG2 4.3Å; Y190-I194 HydrophobicContact CE2-CG2 3.52Å; Y190-I194 PolarHBondContact O-N 2.89Å; L191-I194 HydrophobicContact CD1-CD1 4.06Å; L191-I194 HydrophobicContact CD1-CG1 4.12Å; L191-I194 WeakPolarHBondContact O-CG1 3.42Å; L191-I194 PolarHBondContact O-N 2.88Å; I194-E197 PolarHBondContact O-N 3.47Å; I194-R198 PolarHBondContact O-N 2.9Å; I194-E255 HydrophobicContact CB-CG 4.32Å; I194-E255 HydrophobicContact CD1-CB 3.67Å; I194-E255 HydrophobicContact CD1-CG 3.99Å; I194-E255 HydrophobicContact CG1-CB 3.98Å; I194-E255 HydrophobicContact CG1-CG 3.88Å; I194-R258 HydrophobicContact CD1-CB 4.3Å; I194-C259 HydrophobicContact CD1-CB 4.28Å
195L97.1Very high94.4Very high0 Ų050.8 Ų50.80%028%0.279CS..Hα-helixtrans-69-36.1168.5-72.9174.5000111.9L191 K193 E197 R198 G199 Y200 F202 V211 I214 I252 E255L191-L195 HydrophobicContact CD1-CD1 4.1Å; L191-L195 HydrophobicContact CD1-CG 4.02Å; L191-L195 HydrophobicContact CD2-CD1 4.47Å; L191-L195 HydrophobicContact CG-CD1 3.83Å; L191-L195 HydrophobicContact CG-CG 4.22Å; L191-L195 WeakPolarHBondContact O-CB 3.43Å; L191-L195 WeakPolarHBondContact O-CG 3.34Å; L191-L195 PolarHBondContact O-N 3.12Å; K193-L195 VanDerWaalsContact C-N 3.31Å; K193-L195 PolarHBondContact O-N 2.9Å; L195-E197 VanDerWaalsContact C-N 3.34Å; L195-R198 WeakPolarHBondContact O-CB 3.48Å; L195-R198 PolarHBondContact O-N 2.72Å; L195-G199 PolarHBondContact O-N 3.25Å; L195-Y200 CarbonylContact C-O 3.52Å; L195-Y200 HydrophobicContact CD2-CD2 4.37Å; L195-Y200 PolarHBondContact O-N 3.47Å; L195-F202 HydrophobicContact CB-CD2 4.37Å; L195-F202 HydrophobicContact CB-CE2 4.22Å; L195-F202 HydrophobicContact CD1-CD2 4.32Å; L195-F202 HydrophobicContact CD1-CE2 3.88Å; L195-V211 HydrophobicContact CD1-CG1 4.17Å; L195-V211 HydrophobicContact CD1-CG2 4.3Å; L195-I214 HydrophobicContact CD1-CD1 4.49Å; L195-I252 HydrophobicContact CD2-CD1 3.66Å; L195-I252 HydrophobicContact CD2-CG2 4.22Å; L195-E255 HydrophobicContact CD2-CB 4.49Å; L195-E255 HydrophobicContact CD2-CG 4.35Å
196T95.7Very high93.8Very high64 Ų6451.1 Ų51.139%0.39329%0.291SS..Hα-helixtrans-64.7-39.8173.3-55.80000111.2M192 K193 R198 G199 Y200M192-T196 PolarHBondContact O-N 2.9Å; M192-T196 PolarHBondContact O-OG1 2.81Å; K193-T196 WeakPolarHBondContact O-CA 3.35Å; K193-T196 VanDerWaalsContact O-CB 3.31Å; K193-T196 WeakPolarHBondContact O-CB 3.36Å; K193-T196 PolarHBondContact O-N 3.1Å; K193-T196 VanDerWaalsContact O-N 3.09Å; T196-R198 PolarHBondContact O-N 3.45Å; T196-G199 WeakPolarHBondContact O-CA 3.26Å; T196-G199 PolarHBondContact O-N 3.42Å; T196-Y200 WeakPolarHBondContact CA-O 3.49Å; T196-Y200 PolarHBondContact N-O 3.14Å; T196-Y200 PolarHBondContact OG1-O 3.09Å
197E93.9Very high93.5Very high118 Ų11852.1 Ų52.155%0.55129%0.294SS*.Hα-helixtrans-59.8-33173-66.7168.2-169.100112.4K193 I194 L195 G199 R258K193-E197 PolarHBondContact O-N 3.27Å; I194-E197 PolarHBondContact O-N 3.47Å; L195-E197 VanDerWaalsContact C-N 3.34Å; E197-G199 VanDerWaalsContact C-N 3.28Å; E197-G199 PolarHBondContact O-N 3.09Å; E197-R258 IonicContact OE2-NH2 3.03Å
198R92.4Very high93.2Very high88 Ų8854.2 Ų54.233%0.33230%0.302SS..THydrogen-bonded Turntrans-76.5-12174.3-156-169.3179.997.4-0.6113.4I194 L195 T196 E239 T251 E255I194-R198 PolarHBondContact O-N 2.9Å; L195-R198 WeakPolarHBondContact O-CB 3.48Å; L195-R198 PolarHBondContact O-N 2.72Å; T196-R198 PolarHBondContact O-N 3.45Å; R198-E239 IonicContact NH2-OE1 3.35Å; R198-E239 PolarHBondContact NH2-OE1 2.85Å; R198-T251 PolarHBondContact NE-O 3.19Å; R198-E255 WeakPolarHBondContact CD-OE1 3.42Å; R198-E255 IonicContact CZ-OE1 3.61Å; R198-E255 IonicContact CZ-OE2 3.63Å; R198-E255 IonicContact NE-OE1 3.6Å; R198-E255 VanDerWaalsContact NH1-CD 3.28Å; R198-E255 IonicContact NH1-OE1 3.85Å; R198-E255 PolarHBondContact NH1-OE1 3.4Å; R198-E255 IonicContact NH1-OE2 2.94Å; R198-E255 PolarHBondContact NH1-OE2 3Å
199G94.3Very high92.9Very high63 Ų6355.7 Ų55.765%0.64931%0.309SS*.THydrogen-bonded Turntrans105.25.1179.700000115.6L195 T196 E197L195-G199 PolarHBondContact O-N 3.25Å; T196-G199 WeakPolarHBondContact O-CA 3.26Å; T196-G199 PolarHBondContact O-N 3.42Å; E197-G199 VanDerWaalsContact C-N 3.28Å; E197-G199 PolarHBondContact O-N 3.09Å
200Y93.4Very high92.8Very high56 Ų5654.1 Ų54.122%0.2230%0.3CS..  trans-96.9110.3172.9-58.4-60.4000110.7L195 T196 I250 T251L195-Y200 CarbonylContact C-O 3.52Å; L195-Y200 HydrophobicContact CD2-CD2 4.37Å; L195-Y200 PolarHBondContact O-N 3.47Å; T196-Y200 WeakPolarHBondContact CA-O 3.49Å; T196-Y200 PolarHBondContact N-O 3.14Å; T196-Y200 PolarHBondContact OG1-O 3.09Å; Y200-I250 HydrophobicContact CD1-CB 4.32Å; Y200-I250 HydrophobicContact CD1-CG2 3.88Å; Y200-I250 HydrophobicContact CE1-CB 3.78Å; Y200-I250 HydrophobicContact CE1-CG2 3.54Å; Y200-I250 HydrophobicContact CE2-CB 4.15Å; Y200-T251 WeakPolarHBondContact CE2-O 3.46Å; Y200-T251 PolarHBondContact OH-N 3.43Å; Y200-T251 VanDerWaalsContact OH-N 3.12Å
201S91.8Very high92.8Very high79 Ų7953.3 Ų53.355%0.55230%0.297SS*.  trans-92.6118.9-179.1-165.30000111.3V203S201-V203 WeakPolarHBondContact OG-CG2 3.46Å
202F91.8Very high92.7Very high15 Ų1556.7 Ų56.77%0.06631%0.31CS..  trans-119.6114.3172.1-62.1-72.6000107.2M192 L195 E207 V211 I214 L244 I250M192-F202 HydrophobicContact CG-CB 3.86Å; M192-F202 HydrophobicContact SD-CB 4.18Å; M192-F202 VanDerWaalsContact SD-O 3.42Å; L195-F202 HydrophobicContact CB-CD2 4.37Å; L195-F202 HydrophobicContact CB-CE2 4.22Å; L195-F202 HydrophobicContact CD1-CD2 4.32Å; L195-F202 HydrophobicContact CD1-CE2 3.88Å; F202-E207 HydrophobicContact CB-CB 3.87Å; F202-E207 HydrophobicContact CD1-CB 3.82Å; F202-E207 HydrophobicContact CD1-CG 4.08Å; F202-E207 HydrophobicContact CG-CB 4.31Å; F202-V211 HydrophobicContact CB-CG2 3.98Å; F202-V211 HydrophobicContact CD1-CG2 4.22Å; F202-V211 HydrophobicContact CD2-CG2 3.58Å; F202-V211 HydrophobicContact CE2-CG2 4.06Å; F202-V211 HydrophobicContact CG-CG2 3.66Å; F202-I214 HydrophobicContact CZ-CD1 4.48Å; F202-L244 HydrophobicContact CE1-CD2 4.11Å; F202-L244 HydrophobicContact CZ-CD2 4.29Å; F202-I250 HydrophobicContact CZ-CD1 3.96Å
203V87.6Confident92.7Very high113 Ų11356.3 Ų56.369%0.68531%0.308SS*.  trans-119.7-33.8-169.2-173.80000111.6S201 E207S201-V203 WeakPolarHBondContact OG-CG2 3.46Å; V203-E207 PolarHBondContact N-OE2 3.4Å
204T87.3Confident92.8Very high68 Ų6850.8 Ų50.842%0.41728%0.284SS..SBendtrans-83.9158.5-174.967.80000111.8A206 E207 R208T204-A206 PolarHBondContact O-N 3.09Å; T204-E207 WeakPolarHBondContact CB-OE2 3.48Å; T204-E207 PolarHBondContact N-OE2 3.11Å; T204-E207 PolarHBondContact O-N 2.65Å; T204-E207 WeakPolarHBondContact OG1-CB 3.46Å; T204-E207 VanDerWaalsContact OG1-CG 3.25Å; T204-E207 WeakPolarHBondContact OG1-CG 3.39Å; T204-E207 PolarHBondContact OG1-N 3.21Å; T204-E207 PolarHBondContact OG1-OE2 3.15Å; T204-R208 PolarHBondContact O-N 3.16Å
205T83.3Confident92.8Very high80 Ų8051.1 Ų51.149%0.49129%0.286SS..Hα-helixtrans-60.7-34173.353.80000111.8R64 R208R64-T205 PolarHBondContact NH1-O 2.79Å; T205-R208 WeakPolarHBondContact O-CB 3.42Å; T205-R208 PolarHBondContact O-N 2.76Å
206A84.4Confident92.9Very high48 Ų4856.5 Ų56.540%0.39731%0.311SS..Hα-helixtrans-57.8-51.7173.700000111.7T204 R208 E209T204-A206 PolarHBondContact O-N 3.09Å; A206-R208 VanDerWaalsContact C-N 3.29Å; A206-R208 PolarHBondContact O-N 3.1Å; A206-E209 PolarHBondContact O-N 3.11Å; A206-E209 VanDerWaalsContact O-N 3.14Å
207E90.4Very high93Very high59 Ų5959.7 Ų59.728%0.27632%0.319SS..Hα-helixtrans-63.6-33.2178.4-74.8160.9164.700112.9F202 V203 T204 E209 I210 V211F202-E207 HydrophobicContact CB-CB 3.87Å; F202-E207 HydrophobicContact CD1-CB 3.82Å; F202-E207 HydrophobicContact CD1-CG 4.08Å; F202-E207 HydrophobicContact CG-CB 4.31Å; V203-E207 PolarHBondContact N-OE2 3.4Å; T204-E207 WeakPolarHBondContact CB-OE2 3.48Å; T204-E207 PolarHBondContact N-OE2 3.11Å; T204-E207 PolarHBondContact O-N 2.65Å; T204-E207 WeakPolarHBondContact OG1-CB 3.46Å; T204-E207 VanDerWaalsContact OG1-CG 3.25Å; T204-E207 WeakPolarHBondContact OG1-CG 3.39Å; T204-E207 PolarHBondContact OG1-N 3.21Å; T204-E207 PolarHBondContact OG1-OE2 3.15Å; E207-E209 PolarHBondContact O-N 2.95Å; E207-I210 HydrophobicContact CG-CD1 4.49Å; E207-I210 WeakPolarHBondContact O-CA 3.12Å; E207-I210 VanDerWaalsContact O-CB 3.3Å; E207-I210 WeakPolarHBondContact O-CB 3.2Å; E207-I210 PolarHBondContact O-N 3.08Å; E207-V211 PolarHBondContact O-N 3.28Å
208R92.6Very high93.2Very high44 Ų4455.3 Ų55.317%0.16630%0.299CS..Hα-helixtrans-56.2-33.4173.7-169.6-175.5-177.6-78.8-6.3113R185 T188 D189 M192 T204 T205 A206 V211 R212R185-R208 PolarHBondContact O-NH2 2.88Å; R185-R208 VanDerWaalsContact O-NH2 3.1Å; T188-R208 HydrophobicContact CG2-CG 3.95Å; D189-R208 IonicContact OD1-CZ 2.72Å; D189-R208 VanDerWaalsContact OD1-CZ 3.23Å; D189-R208 IonicContact OD1-NE 2.89Å; D189-R208 PolarHBondContact OD1-NE 3.2Å; D189-R208 IonicContact OD1-NH2 3.12Å; D189-R208 PolarHBondContact OD1-NH2 3.36Å; D189-R208 IonicContact OD2-CZ 3.07Å; D189-R208 IonicContact OD2-NE 3.76Å; D189-R208 IonicContact OD2-NH2 2.72Å; D189-R208 PolarHBondContact OD2-NH2 2.66Å; M192-R208 HydrophobicContact SD-CB 4.41Å; M192-R208 HydrophobicContact SD-CG 4.42Å; T204-R208 PolarHBondContact O-N 3.16Å; T205-R208 WeakPolarHBondContact O-CB 3.42Å; T205-R208 PolarHBondContact O-N 2.76Å; A206-R208 VanDerWaalsContact C-N 3.29Å; A206-R208 PolarHBondContact O-N 3.1Å; R208-V211 PolarHBondContact O-N 3.07Å; R208-R212 PolarHBondContact O-N 2.84Å
209E91Very high93.5Very high31 Ų3151.3 Ų51.315%0.14529%0.285CS..Hα-helixtrans-74.1-32.4176.3-67.6-67140.800112.7Q61 R64 A206 E207 V211 R212 D213Q61-E209 PolarHBondContact NE2-OE1 2.84Å; Q61-E209 PolarHBondContact NE2-OE2 3.08Å; R64-E209 IonicContact NH2-OE1 2.98Å; R64-E209 PolarHBondContact NH2-OE1 3.37Å; A206-E209 PolarHBondContact O-N 3.11Å; A206-E209 VanDerWaalsContact O-N 3.14Å; E207-E209 PolarHBondContact O-N 2.95Å; E209-V211 VanDerWaalsContact C-N 3.27Å; E209-R212 WeakPolarHBondContact O-CB 3.37Å; E209-R212 PolarHBondContact O-N 3.39Å; E209-R212 IonicContact OE2-CZ 3.37Å; E209-R212 VanDerWaalsContact OE2-CZ 3.27Å; E209-R212 IonicContact OE2-NE 3.71Å; E209-R212 PolarHBondContact OE2-NE 3.4Å; E209-R212 IonicContact OE2-NH2 3.9Å; E209-R212 PolarHBondContact OE2-NH2 3.41Å; E209-D213 PolarHBondContact O-N 3.09Å
210I94.7Very high93.7Very high31 Ų3149.9 Ų49.916%0.15926%0.26CS..Hα-helixtrans-61.4-44.7172-54.9174.4000108.5E207 R212 D213 I214 Y242 L244 P245E207-I210 HydrophobicContact CG-CD1 4.49Å; E207-I210 WeakPolarHBondContact O-CA 3.12Å; E207-I210 VanDerWaalsContact O-CB 3.3Å; E207-I210 WeakPolarHBondContact O-CB 3.2Å; E207-I210 PolarHBondContact O-N 3.08Å; I210-R212 VanDerWaalsContact C-N 3.32Å; I210-R212 PolarHBondContact O-N 2.91Å; I210-D213 PolarHBondContact O-N 3.12Å; I210-D213 VanDerWaalsContact O-N 3.14Å; I210-I214 HydrophobicContact CG2-CD1 4.16Å; I210-I214 WeakPolarHBondContact O-CG1 3.37Å; I210-I214 PolarHBondContact O-N 2.71Å; I210-Y242 HydrophobicContact CG2-CE1 3.83Å; I210-L244 HydrophobicContact CG2-CD2 3.61Å; I210-P245 HydrophobicContact CD1-CG 3.83Å; I210-P245 HydrophobicContact CG1-CG 4.2Å
211V97.4Very high94Very high0 Ų047.4 Ų47.40%025%0.251CS..Hα-helixtrans-62.4-38.5175.3-179.40000111.8T188 L191 M192 L195 F202 E207 R208 E209 I214 K215T188-V211 HydrophobicContact CG2-CB 4.43Å; T188-V211 HydrophobicContact CG2-CG1 4.26Å; L191-V211 HydrophobicContact CB-CG1 3.88Å; L191-V211 HydrophobicContact CD2-CG1 3.8Å; L191-V211 HydrophobicContact CG-CG1 3.75Å; M192-V211 HydrophobicContact CB-CG1 4.12Å; M192-V211 HydrophobicContact CB-CG2 4.41Å; M192-V211 HydrophobicContact CG-CG2 4.18Å; L195-V211 HydrophobicContact CD1-CG1 4.17Å; L195-V211 HydrophobicContact CD1-CG2 4.3Å; F202-V211 HydrophobicContact CB-CG2 3.98Å; F202-V211 HydrophobicContact CD1-CG2 4.22Å; F202-V211 HydrophobicContact CD2-CG2 3.58Å; F202-V211 HydrophobicContact CE2-CG2 4.06Å; F202-V211 HydrophobicContact CG-CG2 3.66Å; E207-V211 PolarHBondContact O-N 3.28Å; R208-V211 PolarHBondContact O-N 3.07Å; E209-V211 VanDerWaalsContact C-N 3.27Å; V211-I214 PolarHBondContact O-N 3.23Å; V211-K215 WeakPolarHBondContact O-CB 3.28Å; V211-K215 PolarHBondContact O-N 3.37Å
212R96.8Very high94.3Very high72 Ų7243.8 Ų43.827%0.27223%0.226SC..Hα-helixtrans-61.4-42.4172.3-173-174.960.771.84.1112.1T188 R208 E209 I210 K215 E216T188-R212 HydrophobicContact CG2-CB 4.05Å; R208-R212 PolarHBondContact O-N 2.84Å; E209-R212 WeakPolarHBondContact O-CB 3.37Å; E209-R212 PolarHBondContact O-N 3.39Å; E209-R212 IonicContact OE2-CZ 3.37Å; E209-R212 VanDerWaalsContact OE2-CZ 3.27Å; E209-R212 IonicContact OE2-NE 3.71Å; E209-R212 PolarHBondContact OE2-NE 3.4Å; E209-R212 IonicContact OE2-NH2 3.9Å; E209-R212 PolarHBondContact OE2-NH2 3.41Å; I210-R212 VanDerWaalsContact C-N 3.32Å; I210-R212 PolarHBondContact O-N 2.91Å; R212-K215 WeakPolarHBondContact O-CB 3.48Å; R212-K215 PolarHBondContact O-N 2.92Å; R212-E216 WeakPolarHBondContact CG-OE1 3.14Å; R212-E216 IonicContact CZ-OE1 3.28Å; R212-E216 IonicContact NH1-OE1 2.8Å; R212-E216 PolarHBondContact NH1-OE1 2.91Å; R212-E216 IonicContact NH1-OE2 2.87Å; R212-E216 PolarHBondContact NH1-OE2 3.19Å; R212-E216 WeakPolarHBondContact O-CG 3.48Å; R212-E216 PolarHBondContact O-N 3.43Å
213D97Very high94.6Very high37 Ų3747.5 Ų47.520%0.19825%0.246CC..Hα-helixtrans-67.5-39.7177.2-175.872.7000112E209 I210 K215 E216 K217 Y242E209-D213 PolarHBondContact O-N 3.09Å; I210-D213 PolarHBondContact O-N 3.12Å; I210-D213 VanDerWaalsContact O-N 3.14Å; D213-K215 VanDerWaalsContact C-N 3.32Å; D213-K215 PolarHBondContact O-N 2.79Å; D213-E216 PolarHBondContact O-N 2.8Å; D213-K217 VanDerWaalsContact CG-NZ 3.28Å; D213-K217 WeakPolarHBondContact O-CB 3.35Å; D213-K217 WeakPolarHBondContact O-CG 3.46Å; D213-K217 PolarHBondContact O-N 3.45Å; D213-K217 WeakPolarHBondContact OD1-CE 3.36Å; D213-K217 IonicContact OD1-NZ 3.72Å; D213-K217 PolarHBondContact OD1-NZ 2.69Å; D213-K217 WeakPolarHBondContact OD2-CD 3.46Å; D213-K217 VanDerWaalsContact OD2-CE 3.31Å; D213-K217 WeakPolarHBondContact OD2-CE 3.14Å; D213-K217 IonicContact OD2-NZ 2.81Å; D213-K217 PolarHBondContact OD2-NZ 2.7Å; D213-Y242 VanDerWaalsContact OD2-CE2 3.27Å; D213-Y242 WeakPolarHBondContact OD2-CE2 3.46Å; D213-Y242 VanDerWaalsContact OD2-CZ 3.3Å; D213-Y242 PolarHBondContact OD2-OH 3.26Å
214I98.2Very high95.1Very high0 Ų045.4 Ų45.40%023%0.231CC..Hα-helixtrans-57.2-47.7170.8-68.6166.3000110.2L191 L195 F202 I210 V211 E216 K217 L218 Y242 I250 I252L191-I214 HydrophobicContact CD2-CG2 4.13Å; L195-I214 HydrophobicContact CD1-CD1 4.49Å; F202-I214 HydrophobicContact CZ-CD1 4.48Å; I210-I214 HydrophobicContact CG2-CD1 4.16Å; I210-I214 WeakPolarHBondContact O-CG1 3.37Å; I210-I214 PolarHBondContact O-N 2.71Å; V211-I214 PolarHBondContact O-N 3.23Å; I214-E216 PolarHBondContact O-N 3Å; I214-K217 PolarHBondContact O-N 3.25Å; I214-L218 HydrophobicContact CG2-CD1 4.36Å; I214-L218 WeakPolarHBondContact O-CB 3.43Å; I214-L218 PolarHBondContact O-N 2.96Å; I214-Y242 HydrophobicContact CD1-CD1 4.05Å; I214-Y242 HydrophobicContact CD1-CE1 4.19Å; I214-Y242 HydrophobicContact CD1-CG 4.34Å; I214-Y242 HydrophobicContact CG1-CD1 3.79Å; I214-Y242 HydrophobicContact CG1-CD2 3.71Å; I214-Y242 HydrophobicContact CG1-CE1 3.81Å; I214-Y242 HydrophobicContact CG1-CE2 3.71Å; I214-Y242 HydrophobicContact CG1-CG 3.74Å; I214-I250 HydrophobicContact CD1-CD1 3.89Å; I214-I252 HydrophobicContact CG2-CD1 4.5Å; I214-I252 HydrophobicContact CG2-CG1 4.01Å
215K98.4Very high95.6Very high8 Ų843 Ų434%0.03522%0.215CC..Hα-helixtrans-56.2-50.1177.5-176.1-166.178-172.90111.2G184 L187 T188 L191 V211 R212 D213 C219 Y308G184-K215 PolarHBondContact O-NZ 3Å; L187-K215 HydrophobicContact CB-CD 4.05Å; T188-K215 WeakPolarHBondContact OG1-CD 3.34Å; T188-K215 PolarHBondContact OG1-NZ 3.18Å; L191-K215 HydrophobicContact CD2-CB 3.67Å; L191-K215 HydrophobicContact CD2-CG 4.36Å; V211-K215 WeakPolarHBondContact O-CB 3.28Å; V211-K215 PolarHBondContact O-N 3.37Å; R212-K215 WeakPolarHBondContact O-CB 3.48Å; R212-K215 PolarHBondContact O-N 2.92Å; D213-K215 VanDerWaalsContact C-N 3.32Å; D213-K215 PolarHBondContact O-N 2.79Å; K215-C219 WeakPolarHBondContact O-CB 3.35Å; K215-C219 PolarHBondContact O-N 3.01Å; K215-Y308 WeakPolarHBondContact CD-OH 3.38Å; K215-Y308 HydrophobicContact CG-CE1 4.07Å; K215-Y308 WeakPolarHBondContact CG-OH 3.34Å
216E97.8Very high96.2Very high112 Ų11245.3 Ų45.352%0.52322%0.22SC..Hα-helixtrans-68.2-36.2-177-72.9171-161.200113R212 D213 I214R212-E216 WeakPolarHBondContact CG-OE1 3.14Å; R212-E216 IonicContact CZ-OE1 3.28Å; R212-E216 IonicContact NH1-OE1 2.8Å; R212-E216 PolarHBondContact NH1-OE1 2.91Å; R212-E216 IonicContact NH1-OE2 2.87Å; R212-E216 PolarHBondContact NH1-OE2 3.19Å; R212-E216 WeakPolarHBondContact O-CG 3.48Å; R212-E216 PolarHBondContact O-N 3.43Å; D213-E216 PolarHBondContact O-N 2.8Å; I214-E216 PolarHBondContact O-N 3Å
217K98.1Very high96.8Very high132 Ų13247.8 Ų47.857%0.57423%0.227SC*.Hα-helixtrans-85.7-37.9-176.7-72.7176.4178.6160.40114.1D213 I214 Y242D213-K217 VanDerWaalsContact CG-NZ 3.28Å; D213-K217 WeakPolarHBondContact O-CB 3.35Å; D213-K217 WeakPolarHBondContact O-CG 3.46Å; D213-K217 PolarHBondContact O-N 3.45Å; D213-K217 WeakPolarHBondContact OD1-CE 3.36Å; D213-K217 IonicContact OD1-NZ 3.72Å; D213-K217 PolarHBondContact OD1-NZ 2.69Å; D213-K217 WeakPolarHBondContact OD2-CD 3.46Å; D213-K217 VanDerWaalsContact OD2-CE 3.31Å; D213-K217 WeakPolarHBondContact OD2-CE 3.14Å; D213-K217 IonicContact OD2-NZ 2.81Å; D213-K217 PolarHBondContact OD2-NZ 2.7Å; I214-K217 PolarHBondContact O-N 3.25Å; K217-Y242 HydrophobicContact CD-CE2 4.23Å
218L98.4Very high97.1Very high25 Ų2546.9 Ų46.913%0.13122%0.222CC..Hα-helixtrans-112.3-24.3-165.2-58.1-169.3000114.2I214 K240 Y242 I252 R256I214-L218 HydrophobicContact CG2-CD1 4.36Å; I214-L218 WeakPolarHBondContact O-CB 3.43Å; I214-L218 PolarHBondContact O-N 2.96Å; L218-K240 HydrophobicContact CD1-CB 4.22Å; L218-K240 HydrophobicContact CD2-CB 4.28Å; L218-Y242 HydrophobicContact CD1-CD2 4.15Å; L218-Y242 HydrophobicContact CD1-CG 4.48Å; L218-I252 HydrophobicContact CD1-CB 4.34Å; L218-I252 HydrophobicContact CD1-CG1 3.94Å; L218-R256 HydrophobicContact CB-CG 4.4Å; L218-R256 VanDerWaalsContact O-CZ 3.27Å; L218-R256 PolarHBondContact O-NE 3.21Å; L218-R256 PolarHBondContact O-NH2 3.36Å
219C98.7Very high97.4Very high4 Ų447.4 Ų47.43%0.02723%0.227CC..  trans-75.4153-177.6-69.60000112.9K215 R256 P260 Y308K215-C219 WeakPolarHBondContact O-CB 3.35Å; K215-C219 PolarHBondContact O-N 3.01Å; C219-R256 WeakPolarHBondContact CA-O 3.35Å; C219-R256 WeakPolarHBondContact CB-O 3.36Å; C219-R256 PolarHBondContact SG-O 2.9Å; C219-P260 HydrophobicContact CB-CG 4.36Å; C219-Y308 HydrophobicContact CB-CD1 3.91Å; C219-Y308 HydrophobicContact CB-CE1 3.6Å
220Y98.8Very high97.7Very high33 Ų3348.7 Ų48.713%0.12924%0.243CC..  trans-153.9155.8178.566.2-80.4000110.2E228 R256 F257 P260Y220-E228 WeakPolarHBondContact CE2-OE1 3.38Å; Y220-E228 PolarHBondContact OH-OE1 3.21Å; Y220-R256 HydrophobicContact CD1-CB 4.07Å; Y220-R256 HydrophobicContact CE1-CB 3.82Å; Y220-R256 PolarHBondContact N-O 2.89Å; Y220-R256 VanDerWaalsContact N-O 3.12Å; Y220-F257 HydrophobicContact CD1-CB 4.46Å; Y220-F257 HydrophobicContact CD2-CB 4.3Å; Y220-F257 HydrophobicContact CE1-CB 4.11Å; Y220-F257 HydrophobicContact CE1-CD1 4.15Å; Y220-F257 HydrophobicContact CE2-CB 3.95Å; Y220-F257 HydrophobicContact CE2-CD1 4.46Å; Y220-F257 HydrophobicContact CE2-CG 4.5Å; Y220-F257 AromaticContact CZ-CD1 3.73Å; Y220-F257 VanDerWaalsContact O-CA 3.26Å; Y220-F257 WeakPolarHBondContact O-CA 3.33Å; Y220-F257 WeakPolarHBondContact O-CB 3.31Å; Y220-F257 VanDerWaalsContact OH-CD1 3.29Å; Y220-F257 WeakPolarHBondContact OH-CD1 3.43Å; Y220-P260 WeakPolarHBondContact O-CG 2.93Å
221V98.8Very high97.7Very high5 Ų549.3 Ų49.33%0.0325%0.249CC..  trans-91.6122.8174.6173.30000108.9P260 F264 Y308 P309 I311 R314V221-P260 HydrophobicContact CG2-CB 3.84Å; V221-P260 HydrophobicContact CG2-CG 4.25Å; V221-F264 HydrophobicContact CG1-CE2 3.65Å; V221-F264 HydrophobicContact CG1-CZ 4.11Å; V221-F264 HydrophobicContact CG2-CE2 4.18Å; V221-Y308 HydrophobicContact CG2-CD2 4.45Å; V221-Y308 HydrophobicContact CG2-CG 4.37Å; V221-P309 PolarHBondContact N-O 3.41Å; V221-I311 HydrophobicContact CB-CB 4.35Å; V221-I311 HydrophobicContact CG2-CB 4.01Å; V221-I311 HydrophobicContact CG2-CG1 4.21Å; V221-R314 HydrophobicContact CG1-CB 3.51Å; V221-R314 HydrophobicContact CG1-CG 3.71Å
222A98.3Very high97.6Very high3 Ų350.5 Ų50.53%0.02526%0.258CS..  trans-75.9140.8173.200000111E228 F257 R314A222-E228 HydrophobicContact CB-CB 3.77Å; A222-E228 HydrophobicContact CB-CG 3.8Å; A222-F257 HydrophobicContact CB-CB 4.35Å; A222-F257 HydrophobicContact CB-CD2 4.43Å; A222-R314 WeakPolarHBondContact O-CD 3.45Å; A222-R314 PolarHBondContact O-NH1 3.49Å
223L98.1Very high97.6Very high92 Ų9251.5 Ų51.548%0.48228%0.282SS..SBendtrans-69.8-34.9175.5-177.265.2000112D313 R314 K317L223-D313 HydrophobicContact CD1-CB 4.2Å; L223-R314 WeakPolarHBondContact O-CD 3.11Å; L223-K317 HydrophobicContact CD1-CB 4.01Å; L223-K317 HydrophobicContact CD1-CD 3.81Å; L223-K317 HydrophobicContact CG-CD 4.1Å; L223-K317 WeakPolarHBondContact O-CD 3.5Å; L223-K317 PolarHBondContact O-NZ 3.13Å
224D97.9Very high97.4Very high70 Ų7054.4 Ų54.437%0.37431%0.305SS..SBendtrans-133.2100174.9-163.7-60.6000108.8E226 N227 E228 K317D224-E226 PolarHBondContact O-N 2.85Å; D224-E226 PolarHBondContact OD1-N 3.41Å; D224-N227 HydrophobicContact CB-CB 4.09Å; D224-N227 PolarHBondContact O-N 3.44Å; D224-N227 PolarHBondContact OD1-N 2.89Å; D224-N227 VanDerWaalsContact OD1-N 3.13Å; D224-E228 WeakPolarHBondContact O-CB 3.47Å; D224-E228 PolarHBondContact O-N 2.91Å; D224-K317 IonicContact OD2-NZ 3.12Å; D224-K317 PolarHBondContact OD2-NZ 3.13Å; D224-K317 VanDerWaalsContact OD2-NZ 3.12Å
225F97.5Very high97.1Very high17 Ų1756.8 Ų56.88%0.07532%0.322CS..Hα-helixtrans-62.3-42.3-172.3178-101.6000112.6E228 M229 F257 R258 E261 F268F225-E228 PolarHBondContact O-N 3.02Å; F225-M229 HydrophobicContact CD1-CG 4.28Å; F225-M229 HydrophobicContact CE1-CG 3.78Å; F225-M229 HydrophobicContact CE2-CG 4.15Å; F225-M229 HydrophobicContact CE2-SD 4.38Å; F225-M229 HydrophobicContact CZ-CG 3.71Å; F225-M229 HydrophobicContact CZ-SD 4.01Å; F225-M229 WeakPolarHBondContact O-CG 3.35Å; F225-M229 PolarHBondContact O-N 2.94Å; F225-F257 AromaticContact CD2-CD2 3.82Å; F225-F257 HydrophobicContact CD2-CD2 3.82Å; F225-F257 HydrophobicContact CD2-CE2 4.12Å; F225-F257 AromaticContact CE2-CD2 3.69Å; F225-F257 HydrophobicContact CE2-CD2 3.69Å; F225-F257 AromaticContact CE2-CE2 3.84Å; F225-F257 HydrophobicContact CE2-CE2 3.84Å; F225-R258 HydrophobicContact CE2-CG 3.98Å; F225-R258 HydrophobicContact CZ-CG 4.01Å; F225-E261 HydrophobicContact CB-CG 4.48Å; F225-E261 HydrophobicContact CD1-CG 4.19Å; F225-E261 HydrophobicContact CD2-CB 3.78Å; F225-E261 HydrophobicContact CD2-CG 3.49Å; F225-E261 VanDerWaalsContact CD2-CG 3.49Å; F225-E261 HydrophobicContact CE1-CG 4.31Å; F225-E261 HydrophobicContact CE2-CB 3.7Å; F225-E261 HydrophobicContact CE2-CG 3.66Å; F225-E261 HydrophobicContact CG-CG 3.78Å; F225-E261 HydrophobicContact CZ-CB 4.4Å; F225-E261 HydrophobicContact CZ-CG 4.07Å; F225-F268 HydrophobicContact CE1-CE2 4.36Å; F225-F268 AromaticContact CE1-CZ 3.93Å; F225-F268 HydrophobicContact CE1-CZ 3.93Å; F225-F268 HydrophobicContact CE2-CE2 4.47Å; F225-F268 AromaticContact CZ-CE2 3.87Å; F225-F268 HydrophobicContact CZ-CE2 3.87Å; F225-F268 AromaticContact CZ-CZ 3.9Å; F225-F268 HydrophobicContact CZ-CZ 3.9Å
226E97.2Very high96.8Very high128 Ų12860.3 Ų60.360%0.59835%0.348SS*.Hα-helixtrans-66.8-42.9-178-63.7-56.7142.700111.6D224 E228 M229 A230D224-E226 PolarHBondContact O-N 2.85Å; D224-E226 PolarHBondContact OD1-N 3.41Å; E226-E228 VanDerWaalsContact C-N 3.35Å; E226-M229 PolarHBondContact O-N 3.27Å; E226-A230 PolarHBondContact O-N 3.04Å
227N96.8Very high96.6Very high101 Ų10159.1 Ų59.154%0.5435%0.351SS..Hα-helixtrans-66.7-37.4175.3-172.132000112.2D224 M229 A230 T231D224-N227 HydrophobicContact CB-CB 4.09Å; D224-N227 PolarHBondContact O-N 3.44Å; D224-N227 PolarHBondContact OD1-N 2.89Å; D224-N227 VanDerWaalsContact OD1-N 3.13Å; N227-M229 VanDerWaalsContact C-N 3.35Å; N227-A230 PolarHBondContact O-N 3.49Å; N227-T231 WeakPolarHBondContact O-CB 3.39Å; N227-T231 PolarHBondContact O-N 3.47Å; N227-T231 PolarHBondContact O-OG1 3.05Å
228E97.6Very high96.4Very high40 Ų4054.2 Ų54.219%0.18733%0.331CS..Hα-helixtrans-64.3-40.5175.5-160.778.7-170.800111.2Y220 A222 D224 F225 E226 T231 A232 L238 F257Y220-E228 WeakPolarHBondContact CE2-OE1 3.38Å; Y220-E228 PolarHBondContact OH-OE1 3.21Å; A222-E228 HydrophobicContact CB-CB 3.77Å; A222-E228 HydrophobicContact CB-CG 3.8Å; D224-E228 WeakPolarHBondContact O-CB 3.47Å; D224-E228 PolarHBondContact O-N 2.91Å; F225-E228 PolarHBondContact O-N 3.02Å; E226-E228 VanDerWaalsContact C-N 3.35Å; E228-T231 PolarHBondContact O-N 3.07Å; E228-A232 WeakPolarHBondContact O-CB 3.35Å; E228-A232 PolarHBondContact O-N 2.9Å; E228-L238 HydrophobicContact CG-CD1 4.23Å; E228-F257 HydrophobicContact CB-CD2 4.18Å; E228-F257 HydrophobicContact CB-CE2 3.86Å; E228-F257 HydrophobicContact CB-CZ 4.08Å; E228-F257 HydrophobicContact CG-CD1 3.81Å; E228-F257 HydrophobicContact CG-CD2 3.86Å; E228-F257 HydrophobicContact CG-CE1 3.68Å; E228-F257 HydrophobicContact CG-CE2 3.75Å; E228-F257 HydrophobicContact CG-CG 3.88Å; E228-F257 HydrophobicContact CG-CZ 3.66Å
229M97.6Very high96.2Very high54 Ų5456.9 Ų56.927%0.26634%0.343SS..Hα-helixtrans-61.4-45.3173-78.6-59.8-6400112.2F225 E226 N227 T231 A232 A233 N254 F257 R258F225-M229 HydrophobicContact CD1-CG 4.28Å; F225-M229 HydrophobicContact CE1-CG 3.78Å; F225-M229 HydrophobicContact CE2-CG 4.15Å; F225-M229 HydrophobicContact CE2-SD 4.38Å; F225-M229 HydrophobicContact CZ-CG 3.71Å; F225-M229 HydrophobicContact CZ-SD 4.01Å; F225-M229 WeakPolarHBondContact O-CG 3.35Å; F225-M229 PolarHBondContact O-N 2.94Å; E226-M229 PolarHBondContact O-N 3.27Å; N227-M229 VanDerWaalsContact C-N 3.35Å; M229-T231 VanDerWaalsContact C-N 3.31Å; M229-T231 PolarHBondContact O-N 2.99Å; M229-A232 PolarHBondContact O-N 3.05Å; M229-A233 PolarHBondContact O-N 3.46Å; M229-N254 HydrophobicContact SD-CB 4.36Å; M229-F257 HydrophobicContact CG-CE2 3.81Å; M229-F257 HydrophobicContact CG-CZ 4.31Å; M229-F257 HydrophobicContact SD-CE2 3.5Å; M229-F257 WeakPolarHBondContact SD-CE2 3.24Å; M229-F257 HydrophobicContact SD-CZ 3.71Å; M229-R258 HydrophobicContact SD-CG 3.82Å
230A97.1Very high96.2Very high58 Ų5862 Ų6248%0.47937%0.365SS..Hα-helixtrans-61.9-40.6176.200000111.7E226 N227 A233 S234E226-A230 PolarHBondContact O-N 3.04Å; N227-A230 PolarHBondContact O-N 3.49Å; A230-A233 PolarHBondContact O-N 3.28Å; A230-S234 PolarHBondContact O-N 2.97Å; A230-S234 PolarHBondContact O-OG 3.47Å
231T96.1Very high96.1Very high45 Ų4564.2 Ų64.228%0.27639%0.385SS..Hα-helixtrans-62.8-47.1175.6-58.30000110.9N227 E228 M229 A233 S234 S235 L238N227-T231 WeakPolarHBondContact O-CB 3.39Å; N227-T231 PolarHBondContact O-N 3.47Å; N227-T231 PolarHBondContact O-OG1 3.05Å; E228-T231 PolarHBondContact O-N 3.07Å; M229-T231 VanDerWaalsContact C-N 3.31Å; M229-T231 PolarHBondContact O-N 2.99Å; T231-A233 VanDerWaalsContact C-N 3.27Å; T231-A233 PolarHBondContact O-N 3.37Å; T231-S234 PolarHBondContact O-N 2.98Å; T231-S234 PolarHBondContact O-OG 2.85Å; T231-S235 PolarHBondContact O-N 2.92Å; T231-L238 HydrophobicContact CG2-CD1 3.94Å; T231-L238 HydrophobicContact CG2-CG 4.39Å
232A95.3Very high96Very high24 Ų2465.4 Ų65.420%0.19839%0.389CS..Hα-helixtrans-63.4-29.9178.400000113.4E228 M229 S234 L238 N254 F257E228-A232 WeakPolarHBondContact O-CB 3.35Å; E228-A232 PolarHBondContact O-N 2.9Å; M229-A232 PolarHBondContact O-N 3.05Å; A232-S234 VanDerWaalsContact C-N 3.32Å; A232-L238 HydrophobicContact CB-CD1 3.99Å; A232-N254 HydrophobicContact CB-CB 3.88Å; A232-F257 HydrophobicContact CB-CE1 4.11Å; A232-F257 HydrophobicContact CB-CZ 3.98Å
233A95.2Very high96Very high93 Ų9371.8 Ų71.877%0.76942%0.419SS*.Hα-helixtrans-73.2-24.9174.500000113.1M229 A230 T231M229-A233 PolarHBondContact O-N 3.46Å; A230-A233 PolarHBondContact O-N 3.28Å; T231-A233 VanDerWaalsContact C-N 3.27Å; T231-A233 PolarHBondContact O-N 3.37Å
234S94.1Very high95.8Very high99 Ų9968.3 Ų68.369%0.69240%0.4SS*.Hα-helixtrans-102.6-14.9-17570.30000114.3A230 T231 A232A230-S234 PolarHBondContact O-N 2.97Å; A230-S234 PolarHBondContact O-OG 3.47Å; T231-S234 PolarHBondContact O-N 2.98Å; T231-S234 PolarHBondContact O-OG 2.85Å; A232-S234 VanDerWaalsContact C-N 3.32Å
235S92.1Very high95.5Very high50 Ų5070.1 Ų70.135%0.3542%0.416SS..  trans-149.6144.6-172177.70000112.6T231 S237T231-S235 PolarHBondContact O-N 2.92Å; S235-S237 VanDerWaalsContact C-N 3.32Å; S235-S237 VanDerWaalsContact OG-CB 3.26Å; S235-S237 WeakPolarHBondContact OG-CB 3.31Å; S235-S237 PolarHBondContact OG-N 3.19Å; S235-S237 PolarHBondContact OG-OG 2.78Å
236S92Very high95.2Very high82 Ų8274.9 Ų74.957%0.57344%0.443SS*.SBendtrans-87.14169.856.60000113.6L238 E239S236-L238 PolarHBondContact O-N 2.93Å; S236-L238 VanDerWaalsContact O-N 3.08Å; S236-E239 WeakPolarHBondContact O-CB 3.36Å; S236-E239 WeakPolarHBondContact O-CG 3.39Å; S236-E239 PolarHBondContact O-N 3.48Å
237S92.3Very high95Very high86 Ų8670.7 Ų70.760%0.60143%0.433SS*.THydrogen-bonded Turntrans-61.1-20.4-178.158.30000114.3S235S235-S237 VanDerWaalsContact C-N 3.32Å; S235-S237 VanDerWaalsContact OG-CB 3.26Å; S235-S237 WeakPolarHBondContact OG-CB 3.31Å; S235-S237 PolarHBondContact OG-N 3.19Å; S235-S237 PolarHBondContact OG-OG 2.78Å
238L93.7Very high95Very high30 Ų3070.9 Ų70.916%0.15743%0.431CS..THydrogen-bonded Turntrans-89.6-7.8178-58.6179000112.9E228 T231 A232 S236 R256 F257E228-L238 HydrophobicContact CG-CD1 4.23Å; T231-L238 HydrophobicContact CG2-CD1 3.94Å; T231-L238 HydrophobicContact CG2-CG 4.39Å; A232-L238 HydrophobicContact CB-CD1 3.99Å; S236-L238 PolarHBondContact O-N 2.93Å; S236-L238 VanDerWaalsContact O-N 3.08Å; L238-R256 PolarHBondContact O-NH1 2.97Å; L238-F257 HydrophobicContact CD1-CE1 4.28Å
239E96Very high94.9Very high81 Ų8173 Ų7338%0.37945%0.447SS..  trans-72.1144.5179.3-61-167.1141.100111.6R198 S236 T251 I252R198-E239 IonicContact NH2-OE1 3.35Å; R198-E239 PolarHBondContact NH2-OE1 2.85Å; S236-E239 WeakPolarHBondContact O-CB 3.36Å; S236-E239 WeakPolarHBondContact O-CG 3.39Å; S236-E239 PolarHBondContact O-N 3.48Å; E239-T251 HydrophobicContact CB-CG2 3.78Å; E239-T251 HydrophobicContact CG-CG2 4.2Å; E239-I252 WeakPolarHBondContact CA-O 3.48Å
240K97.6Very high94.8Very high111 Ų11170.5 Ų70.548%0.48343%0.434SS..EExtended strand (participates in β ladder)trans-133.2141.9173.3-71.4-67.9-177.2-179.30110.2L218 I252 R256L218-K240 HydrophobicContact CD1-CB 4.22Å; L218-K240 HydrophobicContact CD2-CB 4.28Å; K240-I252 PolarHBondContact N-O 2.78Å; K240-I252 PolarHBondContact O-N 3.29Å; K240-R256 VanDerWaalsContact CG-CZ 3.41Å
241S97Very high94.8Very high80 Ų8069.7 Ų69.756%0.55942%0.424SS*.EExtended strand (participates in β ladder)trans-88.3146.3173.9-57.60000110.9I250S241-I250 CarbonylContact C-O 3.22Å; S241-I250 VanDerWaalsContact CA-O 3.29Å; S241-I250 WeakPolarHBondContact CA-O 3.27Å
242Y97.6Very high94.9Very high29 Ų2967.6 Ų67.611%0.11441%0.41CS..EExtended strand (participates in β ladder)trans-131.7133.6174.1-176.5-88.5000109I210 D213 I214 K217 L218 L244 V249 I250I210-Y242 HydrophobicContact CG2-CE1 3.83Å; D213-Y242 VanDerWaalsContact OD2-CE2 3.27Å; D213-Y242 WeakPolarHBondContact OD2-CE2 3.46Å; D213-Y242 VanDerWaalsContact OD2-CZ 3.3Å; D213-Y242 PolarHBondContact OD2-OH 3.26Å; I214-Y242 HydrophobicContact CD1-CD1 4.05Å; I214-Y242 HydrophobicContact CD1-CE1 4.19Å; I214-Y242 HydrophobicContact CD1-CG 4.34Å; I214-Y242 HydrophobicContact CG1-CD1 3.79Å; I214-Y242 HydrophobicContact CG1-CD2 3.71Å; I214-Y242 HydrophobicContact CG1-CE1 3.81Å; I214-Y242 HydrophobicContact CG1-CE2 3.71Å; I214-Y242 HydrophobicContact CG1-CG 3.74Å; K217-Y242 HydrophobicContact CD-CE2 4.23Å; L218-Y242 HydrophobicContact CD1-CD2 4.15Å; L218-Y242 HydrophobicContact CD1-CG 4.48Å; Y242-L244 HydrophobicContact CD1-CD2 4.08Å; Y242-L244 HydrophobicContact CE1-CD2 4.03Å; Y242-V249 CarbonylContact O-C 3.57Å; Y242-V249 WeakPolarHBondContact O-CA 3.22Å; Y242-I250 HydrophobicContact CD1-CD1 4.44Å; Y242-I250 HydrophobicContact CD1-CG1 4.34Å; Y242-I250 PolarHBondContact N-O 3.04Å; Y242-I250 PolarHBondContact O-N 3.31Å
243E97.1Very high95Very high137 Ų13766.5 Ų66.564%0.6440%0.402SS*.EExtended strand (participates in β ladder)trans-94.3118.9176.4-171.4177.7166.900109.8V249E243-V249 HydrophobicContact CB-CG2 4.43Å; E243-V249 HydrophobicContact CG-CG2 4.37Å
244L94.7Very high95.1Very high19 Ų1964 Ų6410%0.09938%0.375CS..  trans-71.8161.2175.9-66.4178.1000111F202 I210 Y242 D246 G247 Q248 I250F202-L244 HydrophobicContact CE1-CD2 4.11Å; F202-L244 HydrophobicContact CZ-CD2 4.29Å; I210-L244 HydrophobicContact CG2-CD2 3.61Å; Y242-L244 HydrophobicContact CD1-CD2 4.08Å; Y242-L244 HydrophobicContact CE1-CD2 4.03Å; L244-D246 WeakPolarHBondContact CB-OD1 3.46Å; L244-D246 PolarHBondContact O-N 3.16Å; L244-G247 PolarHBondContact O-N 3.13Å; L244-Q248 HydrophobicContact CB-CB 4.41Å; L244-Q248 VanDerWaalsContact CB-O 3.32Å; L244-Q248 WeakPolarHBondContact CB-O 3.31Å; L244-Q248 HydrophobicContact CD1-CB 4.12Å; L244-Q248 HydrophobicContact CD1-CG 4.29Å; L244-Q248 WeakPolarHBondContact CG-O 3.22Å; L244-Q248 PolarHBondContact N-O 3.04Å; L244-I250 HydrophobicContact CD1-CG2 3.73Å; L244-I250 HydrophobicContact CD2-CD1 4.01Å; L244-I250 HydrophobicContact CG-CD1 4.39Å; L244-I250 HydrophobicContact CG-CG1 4.47Å; L244-I250 HydrophobicContact CG-CG2 4.15Å
245P91.5Very high95.3Very high109 Ų10959.6 Ų59.671%0.70834%0.344SS*.THydrogen-bonded Turntrans-59.3-19.7-180-26.235.9000115.5I210 G247I210-P245 HydrophobicContact CD1-CG 3.83Å; I210-P245 HydrophobicContact CG1-CG 4.2Å; P245-G247 VanDerWaalsContact C-N 3.34Å
246D91.3Very high95.6Very high117 Ų11758.6 Ų58.663%0.62633%0.333SS*.THydrogen-bonded Turntrans-88.92175.562.8-0.8000113.4L244 Q248L244-D246 WeakPolarHBondContact CB-OD1 3.46Å; L244-D246 PolarHBondContact O-N 3.16Å; D246-Q248 VanDerWaalsContact C-N 3.33Å; D246-Q248 VanDerWaalsContact OD1-CB 3.26Å; D246-Q248 WeakPolarHBondContact OD1-CB 3.32Å; D246-Q248 PolarHBondContact OD1-N 2.9Å
247G93.4Very high95.9Very high39 Ų3954.8 Ų54.840%0.40231%0.306SS..SBendtrans85.1-1.8-177.100000114.3L244 P245 V249L244-G247 PolarHBondContact O-N 3.13Å; P245-G247 VanDerWaalsContact C-N 3.34Å; G247-V249 PolarHBondContact O-N 3.09Å
248Q94.9Very high96.2Very high105 Ų10553.1 Ų53.149%0.49129%0.286SS..  trans-69.9129.6175.6178.7179.8-9.600110.2L244 D246 I250L244-Q248 HydrophobicContact CB-CB 4.41Å; L244-Q248 VanDerWaalsContact CB-O 3.32Å; L244-Q248 WeakPolarHBondContact CB-O 3.31Å; L244-Q248 HydrophobicContact CD1-CB 4.12Å; L244-Q248 HydrophobicContact CD1-CG 4.29Å; L244-Q248 WeakPolarHBondContact CG-O 3.22Å; L244-Q248 PolarHBondContact N-O 3.04Å; D246-Q248 VanDerWaalsContact C-N 3.33Å; D246-Q248 VanDerWaalsContact OD1-CB 3.26Å; D246-Q248 WeakPolarHBondContact OD1-CB 3.32Å; D246-Q248 PolarHBondContact OD1-N 2.9Å; Q248-I250 HydrophobicContact CG-CG2 4.42Å
249V96.6Very high96.4Very high85 Ų8551.7 Ų51.752%0.51528%0.279SS..EExtended strand (participates in β ladder)trans-94.1123.6175.8-177.90000110.1Y242 E243 G247Y242-V249 CarbonylContact O-C 3.57Å; Y242-V249 WeakPolarHBondContact O-CA 3.22Å; E243-V249 HydrophobicContact CB-CG2 4.43Å; E243-V249 HydrophobicContact CG-CG2 4.37Å; G247-V249 PolarHBondContact O-N 3.09Å
250I96.3Very high96.5Very high1 Ų147.8 Ų47.81%0.00526%0.261CS..EExtended strand (participates in β ladder)trans-110.3150.9174.665.6172.5000110.7Y200 F202 I214 S241 Y242 L244 Q248 I252Y200-I250 HydrophobicContact CD1-CB 4.32Å; Y200-I250 HydrophobicContact CD1-CG2 3.88Å; Y200-I250 HydrophobicContact CE1-CB 3.78Å; Y200-I250 HydrophobicContact CE1-CG2 3.54Å; Y200-I250 HydrophobicContact CE2-CB 4.15Å; F202-I250 HydrophobicContact CZ-CD1 3.96Å; I214-I250 HydrophobicContact CD1-CD1 3.89Å; S241-I250 CarbonylContact C-O 3.22Å; S241-I250 VanDerWaalsContact CA-O 3.29Å; S241-I250 WeakPolarHBondContact CA-O 3.27Å; Y242-I250 HydrophobicContact CD1-CD1 4.44Å; Y242-I250 HydrophobicContact CD1-CG1 4.34Å; Y242-I250 PolarHBondContact N-O 3.04Å; Y242-I250 PolarHBondContact O-N 3.31Å; L244-I250 HydrophobicContact CD1-CG2 3.73Å; L244-I250 HydrophobicContact CD2-CD1 4.01Å; L244-I250 HydrophobicContact CG-CD1 4.39Å; L244-I250 HydrophobicContact CG-CG1 4.47Å; L244-I250 HydrophobicContact CG-CG2 4.15Å; Q248-I250 HydrophobicContact CG-CG2 4.42Å; I250-I252 HydrophobicContact CD1-CD1 3.63Å; I250-I252 HydrophobicContact CG1-CD1 3.89Å
251T97Very high96.6Very high42 Ų4242.5 Ų42.526%0.25824%0.238SC..EExtended strand (participates in β ladder)trans-106.1123.1177.4-58.20000110.6R198 Y200 E239R198-T251 PolarHBondContact NE-O 3.19Å; Y200-T251 WeakPolarHBondContact CE2-O 3.46Å; Y200-T251 PolarHBondContact OH-N 3.43Å; Y200-T251 VanDerWaalsContact OH-N 3.12Å; E239-T251 HydrophobicContact CB-CG2 3.78Å; E239-T251 HydrophobicContact CG-CG2 4.2Å
252I97.5Very high96.6Very high0 Ų038.7 Ų38.70%021%0.211CC..EExtended strand (participates in β ladder)trans-105.7124174.9-42.4-48.7000108.5L195 I214 L218 E239 K240 I250 E255 R256L195-I252 HydrophobicContact CD2-CD1 3.66Å; L195-I252 HydrophobicContact CD2-CG2 4.22Å; I214-I252 HydrophobicContact CG2-CD1 4.5Å; I214-I252 HydrophobicContact CG2-CG1 4.01Å; L218-I252 HydrophobicContact CD1-CB 4.34Å; L218-I252 HydrophobicContact CD1-CG1 3.94Å; E239-I252 WeakPolarHBondContact CA-O 3.48Å; K240-I252 PolarHBondContact N-O 2.78Å; K240-I252 PolarHBondContact O-N 3.29Å; I250-I252 HydrophobicContact CD1-CD1 3.63Å; I250-I252 HydrophobicContact CG1-CD1 3.89Å; I252-E255 HydrophobicContact CG2-CB 4.11Å; I252-R256 HydrophobicContact CB-CG 4.08Å; I252-R256 HydrophobicContact CG2-CG 3.55Å; I252-R256 WeakPolarHBondContact O-CD 3.09Å
253G96.8Very high96.7Very high2 Ų237.4 Ų37.42%0.02121%0.206CC..  trans-108.8-116.5-176.300000112E255 R256G253-E255 WeakPolarHBondContact CA-OE2 3.33Å; G253-E255 PolarHBondContact N-OE2 3.19Å; G253-E255 PolarHBondContact O-N 3.38Å; G253-R256 WeakPolarHBondContact O-CB 3.3Å; G253-R256 WeakPolarHBondContact O-CD 3.36Å; G253-R256 WeakPolarHBondContact O-CG 3.31Å; G253-R256 PolarHBondContact O-N 2.85Å
254N97.3Very high96.7Very high39 Ų3931 Ų3121%0.20918%0.176CC..THydrogen-bonded Turntrans-67.2-15.5-176.268.323.6000114.1M229 A232 R256 F257 R258M229-N254 HydrophobicContact SD-CB 4.36Å; A232-N254 HydrophobicContact CB-CB 3.88Å; N254-R256 PolarHBondContact O-N 2.78Å; N254-R256 VanDerWaalsContact O-N 3.15Å; N254-F257 VanDerWaalsContact CA-CE1 3.49Å; N254-F257 HydrophobicContact CB-CE1 3.7Å; N254-F257 HydrophobicContact CB-CZ 3.69Å; N254-F257 PolarHBondContact O-N 3.23Å; N254-R258 WeakPolarHBondContact O-CB 3.46Å; N254-R258 VanDerWaalsContact O-CG 3.27Å; N254-R258 WeakPolarHBondContact O-CG 3.16Å; N254-R258 PolarHBondContact O-N 2.72Å; N254-R258 VanDerWaalsContact OD1-CD 3.27Å; N254-R258 WeakPolarHBondContact OD1-CD 3.27Å; N254-R258 PolarHBondContact OD1-NH1 2.72Å
255E98.1Very high96.9Very high7 Ų733 Ų333%0.03319%0.185CC..Hα-helixtrans-58.8-28.3175-55.479.4-171.500111.3L191 I194 L195 R198 I252 G253 F257 C259L191-E255 HydrophobicContact CD1-CB 3.98Å; I194-E255 HydrophobicContact CB-CG 4.32Å; I194-E255 HydrophobicContact CD1-CB 3.67Å; I194-E255 HydrophobicContact CD1-CG 3.99Å; I194-E255 HydrophobicContact CG1-CB 3.98Å; I194-E255 HydrophobicContact CG1-CG 3.88Å; L195-E255 HydrophobicContact CD2-CB 4.49Å; L195-E255 HydrophobicContact CD2-CG 4.35Å; R198-E255 WeakPolarHBondContact CD-OE1 3.42Å; R198-E255 IonicContact CZ-OE1 3.61Å; R198-E255 IonicContact CZ-OE2 3.63Å; R198-E255 IonicContact NE-OE1 3.6Å; R198-E255 VanDerWaalsContact NH1-CD 3.28Å; R198-E255 IonicContact NH1-OE1 3.85Å; R198-E255 PolarHBondContact NH1-OE1 3.4Å; R198-E255 IonicContact NH1-OE2 2.94Å; R198-E255 PolarHBondContact NH1-OE2 3Å; I252-E255 HydrophobicContact CG2-CB 4.11Å; G253-E255 WeakPolarHBondContact CA-OE2 3.33Å; G253-E255 PolarHBondContact N-OE2 3.19Å; G253-E255 PolarHBondContact O-N 3.38Å; E255-F257 VanDerWaalsContact C-N 3.29Å; E255-F257 PolarHBondContact O-N 3.14Å; E255-C259 WeakPolarHBondContact O-CB 3.32Å; E255-C259 PolarHBondContact O-N 3.04Å
256R98.4Very high97.2Very high30 Ų3028 Ų2811%0.11315%0.152CC..Hα-helixtrans-56.1-39.5179-65176.264.3-135.4-11.7112.8L218 C219 Y220 L238 K240 I252 G253 N254 P260L218-R256 HydrophobicContact CB-CG 4.4Å; L218-R256 VanDerWaalsContact O-CZ 3.27Å; L218-R256 PolarHBondContact O-NE 3.21Å; L218-R256 PolarHBondContact O-NH2 3.36Å; C219-R256 WeakPolarHBondContact CA-O 3.35Å; C219-R256 WeakPolarHBondContact CB-O 3.36Å; C219-R256 PolarHBondContact SG-O 2.9Å; Y220-R256 HydrophobicContact CD1-CB 4.07Å; Y220-R256 HydrophobicContact CE1-CB 3.82Å; Y220-R256 PolarHBondContact N-O 2.89Å; Y220-R256 VanDerWaalsContact N-O 3.12Å; L238-R256 PolarHBondContact O-NH1 2.97Å; K240-R256 VanDerWaalsContact CG-CZ 3.41Å; I252-R256 HydrophobicContact CB-CG 4.08Å; I252-R256 HydrophobicContact CG2-CG 3.55Å; I252-R256 WeakPolarHBondContact O-CD 3.09Å; G253-R256 WeakPolarHBondContact O-CB 3.3Å; G253-R256 WeakPolarHBondContact O-CD 3.36Å; G253-R256 WeakPolarHBondContact O-CG 3.31Å; G253-R256 PolarHBondContact O-N 2.85Å; N254-R256 PolarHBondContact O-N 2.78Å; N254-R256 VanDerWaalsContact O-N 3.15Å; R256-P260 VanDerWaalsContact O-CD 3.31Å; R256-P260 WeakPolarHBondContact O-CD 3.34Å
257F98.5Very high97.5Very high1 Ų126.3 Ų26.30%0.00415%0.149CC..Hα-helixtrans-108.1-22.2179.864.2-93.8000113.4Y220 A222 F225 E228 M229 A232 L238 N254 E255 C259 P260 E261Y220-F257 HydrophobicContact CD1-CB 4.46Å; Y220-F257 HydrophobicContact CD2-CB 4.3Å; Y220-F257 HydrophobicContact CE1-CB 4.11Å; Y220-F257 HydrophobicContact CE1-CD1 4.15Å; Y220-F257 HydrophobicContact CE2-CB 3.95Å; Y220-F257 HydrophobicContact CE2-CD1 4.46Å; Y220-F257 HydrophobicContact CE2-CG 4.5Å; Y220-F257 AromaticContact CZ-CD1 3.73Å; Y220-F257 VanDerWaalsContact O-CA 3.26Å; Y220-F257 WeakPolarHBondContact O-CA 3.33Å; Y220-F257 WeakPolarHBondContact O-CB 3.31Å; Y220-F257 VanDerWaalsContact OH-CD1 3.29Å; Y220-F257 WeakPolarHBondContact OH-CD1 3.43Å; A222-F257 HydrophobicContact CB-CB 4.35Å; A222-F257 HydrophobicContact CB-CD2 4.43Å; F225-F257 AromaticContact CD2-CD2 3.82Å; F225-F257 HydrophobicContact CD2-CD2 3.82Å; F225-F257 HydrophobicContact CD2-CE2 4.12Å; F225-F257 AromaticContact CE2-CD2 3.69Å; F225-F257 HydrophobicContact CE2-CD2 3.69Å; F225-F257 AromaticContact CE2-CE2 3.84Å; F225-F257 HydrophobicContact CE2-CE2 3.84Å; E228-F257 HydrophobicContact CB-CD2 4.18Å; E228-F257 HydrophobicContact CB-CE2 3.86Å; E228-F257 HydrophobicContact CB-CZ 4.08Å; E228-F257 HydrophobicContact CG-CD1 3.81Å; E228-F257 HydrophobicContact CG-CD2 3.86Å; E228-F257 HydrophobicContact CG-CE1 3.68Å; E228-F257 HydrophobicContact CG-CE2 3.75Å; E228-F257 HydrophobicContact CG-CG 3.88Å; E228-F257 HydrophobicContact CG-CZ 3.66Å; M229-F257 HydrophobicContact CG-CE2 3.81Å; M229-F257 HydrophobicContact CG-CZ 4.31Å; M229-F257 HydrophobicContact SD-CE2 3.5Å; M229-F257 WeakPolarHBondContact SD-CE2 3.24Å; M229-F257 HydrophobicContact SD-CZ 3.71Å; A232-F257 HydrophobicContact CB-CE1 4.11Å; A232-F257 HydrophobicContact CB-CZ 3.98Å; L238-F257 HydrophobicContact CD1-CE1 4.28Å; N254-F257 VanDerWaalsContact CA-CE1 3.49Å; N254-F257 HydrophobicContact CB-CE1 3.7Å; N254-F257 HydrophobicContact CB-CZ 3.69Å; N254-F257 PolarHBondContact O-N 3.23Å; E255-F257 VanDerWaalsContact C-N 3.29Å; E255-F257 PolarHBondContact O-N 3.14Å; F257-C259 VanDerWaalsContact C-N 3.35Å; F257-P260 WeakPolarHBondContact O-CD 3.42Å; F257-E261 PolarHBondContact O-N 3.07Å
258R98.3Very high97.6Very high51 Ų5127.1 Ų27.119%0.19214%0.142CC..Hα-helixtrans-63-38.3170.1-72.3173.364.6-152.8-3.4112.9I194 E197 F225 M229 N254 E261I194-R258 HydrophobicContact CD1-CB 4.3Å; E197-R258 IonicContact OE2-NH2 3.03Å; F225-R258 HydrophobicContact CE2-CG 3.98Å; F225-R258 HydrophobicContact CZ-CG 4.01Å; M229-R258 HydrophobicContact SD-CG 3.82Å; N254-R258 WeakPolarHBondContact O-CB 3.46Å; N254-R258 VanDerWaalsContact O-CG 3.27Å; N254-R258 WeakPolarHBondContact O-CG 3.16Å; N254-R258 PolarHBondContact O-N 2.72Å; N254-R258 VanDerWaalsContact OD1-CD 3.27Å; N254-R258 WeakPolarHBondContact OD1-CD 3.27Å; N254-R258 PolarHBondContact OD1-NH1 2.72Å; R258-E261 PolarHBondContact O-N 3.43Å
259C98.6Very high97.6Very high0 Ų024.7 Ų24.70%013%0.132CC..Hα-helixtrans-58-59.8178.5169.70000112.1L187 Y190 L191 I194 E255 F257 E261 T262L187-C259 PolarHBondContact O-SG 3.49Å; Y190-C259 HydrophobicContact CD1-CB 4.49Å; L191-C259 HydrophobicContact CB-CB 4.24Å; L191-C259 HydrophobicContact CD1-CB 4.03Å; I194-C259 HydrophobicContact CD1-CB 4.28Å; E255-C259 WeakPolarHBondContact O-CB 3.32Å; E255-C259 PolarHBondContact O-N 3.04Å; F257-C259 VanDerWaalsContact C-N 3.35Å; C259-E261 VanDerWaalsContact C-N 3.27Å; C259-E261 PolarHBondContact O-N 3.12Å; C259-T262 VanDerWaalsContact O-CB 3.28Å; C259-T262 WeakPolarHBondContact O-CB 3.3Å; C259-T262 PolarHBondContact O-N 3.37Å; C259-T262 PolarHBondContact O-OG1 3.15Å
260P98.5Very high97.6Very high0 Ų023.7 Ų23.70%014%0.139CC..Hα-helixtrans-72.5-14.9-179.230.1-37.3000114.2C219 Y220 V221 R256 F257 T262 L263 Y308C219-P260 HydrophobicContact CB-CG 4.36Å; Y220-P260 WeakPolarHBondContact O-CG 2.93Å; V221-P260 HydrophobicContact CG2-CB 3.84Å; V221-P260 HydrophobicContact CG2-CG 4.25Å; R256-P260 VanDerWaalsContact O-CD 3.31Å; R256-P260 WeakPolarHBondContact O-CD 3.34Å; F257-P260 WeakPolarHBondContact O-CD 3.42Å; P260-T262 PolarHBondContact O-N 3.09Å; P260-L263 WeakPolarHBondContact O-CB 3.27Å; P260-L263 PolarHBondContact O-N 3.07Å; P260-L263 VanDerWaalsContact O-N 3.08Å; P260-Y308 HydrophobicContact CB-CD1 4.31Å; P260-Y308 HydrophobicContact CB-CD2 3.79Å; P260-Y308 HydrophobicContact CB-CE1 4.33Å; P260-Y308 HydrophobicContact CB-CE2 3.78Å; P260-Y308 HydrophobicContact CB-CG 4.06Å
261E98.6Very high97.5Very high0 Ų026.3 Ų26.30%015%0.152CC..Hα-helixtrans-57.7-27.5169.7-171.964.4-161.800111.7F225 F257 R258 C259 L263 F264 Q265 F268 R314F225-E261 HydrophobicContact CB-CG 4.48Å; F225-E261 HydrophobicContact CD1-CG 4.19Å; F225-E261 HydrophobicContact CD2-CB 3.78Å; F225-E261 HydrophobicContact CD2-CG 3.49Å; F225-E261 VanDerWaalsContact CD2-CG 3.49Å; F225-E261 HydrophobicContact CE1-CG 4.31Å; F225-E261 HydrophobicContact CE2-CB 3.7Å; F225-E261 HydrophobicContact CE2-CG 3.66Å; F225-E261 HydrophobicContact CG-CG 3.78Å; F225-E261 HydrophobicContact CZ-CB 4.4Å; F225-E261 HydrophobicContact CZ-CG 4.07Å; F257-E261 PolarHBondContact O-N 3.07Å; R258-E261 PolarHBondContact O-N 3.43Å; C259-E261 VanDerWaalsContact C-N 3.27Å; C259-E261 PolarHBondContact O-N 3.12Å; E261-L263 PolarHBondContact O-N 3.26Å; E261-L263 VanDerWaalsContact O-N 3.07Å; E261-F264 CarbonylContact O-C 3.58Å; E261-F264 WeakPolarHBondContact O-CA 3.49Å; E261-F264 PolarHBondContact O-N 2.84Å; E261-Q265 HydrophobicContact CG-CG 4.27Å; E261-Q265 PolarHBondContact O-N 3.39Å; E261-Q265 PolarHBondContact OE1-NE2 3.33Å; E261-F268 HydrophobicContact CB-CE2 4.01Å; E261-F268 HydrophobicContact CG-CE2 3.84Å; E261-F268 HydrophobicContact CG-CZ 4.19Å; E261-R314 IonicContact OE1-CZ 3.51Å; E261-R314 IonicContact OE1-NH1 3.07Å; E261-R314 IonicContact OE1-NH2 3.35Å; E261-R314 PolarHBondContact OE1-NH2 2.96Å; E261-R314 IonicContact OE2-CZ 2.77Å; E261-R314 IonicContact OE2-NH1 2.85Å; E261-R314 PolarHBondContact OE2-NH1 3.32Å; E261-R314 IonicContact OE2-NH2 3.63Å
262T98.1Very high97.4Very high0 Ų034.3 Ų34.30%019%0.187CC..THydrogen-bonded Turntrans-54.6-29175.1-44.70000112.9L182 L187 Y190 C259 P260 F264 Q265 P266 F268 I269L182-T262 HydrophobicContact CD1-CG2 4.27Å; L182-T262 HydrophobicContact CD2-CG2 4.23Å; L182-T262 WeakPolarHBondContact CD2-O 3.44Å; L187-T262 HydrophobicContact CD2-CG2 4.28Å; Y190-T262 WeakPolarHBondContact CD1-OG1 3.49Å; Y190-T262 WeakPolarHBondContact CE1-OG1 3.47Å; C259-T262 VanDerWaalsContact O-CB 3.28Å; C259-T262 WeakPolarHBondContact O-CB 3.3Å; C259-T262 PolarHBondContact O-N 3.37Å; C259-T262 PolarHBondContact O-OG1 3.15Å; P260-T262 PolarHBondContact O-N 3.09Å; T262-F264 VanDerWaalsContact C-N 3.26Å; T262-F264 PolarHBondContact O-N 3.06Å; T262-Q265 CarbonylContact O-C 3.15Å; T262-Q265 PolarHBondContact O-N 3.4Å; T262-P266 WeakPolarHBondContact O-CA 3.5Å; T262-P266 VanDerWaalsContact O-N 3.15Å; T262-F268 HydrophobicContact CG2-CB 4.31Å; T262-I269 HydrophobicContact CG2-CB 4.3Å; T262-I269 HydrophobicContact CG2-CD1 3.79Å; T262-I269 HydrophobicContact CG2-CG1 3.67Å; T262-I269 HydrophobicContact CG2-CG2 3.74Å
263L98.6Very high97.3Very high1 Ų136.3 Ų36.31%0.00520%0.2CC..THydrogen-bonded Turntrans-64.1-33.4174.3-66.5172.6000112.2L182 L187 P260 E261 G275 I276 T305 Y308 I311L182-L263 HydrophobicContact CG-CD2 4.48Å; L187-L263 HydrophobicContact CD1-CD1 4.08Å; L187-L263 HydrophobicContact CD1-CD2 4.05Å; L187-L263 HydrophobicContact CD1-CG 3.96Å; L187-L263 HydrophobicContact CD2-CD2 4.45Å; L187-L263 HydrophobicContact CD2-CG 4.34Å; P260-L263 WeakPolarHBondContact O-CB 3.27Å; P260-L263 PolarHBondContact O-N 3.07Å; P260-L263 VanDerWaalsContact O-N 3.08Å; E261-L263 PolarHBondContact O-N 3.26Å; E261-L263 VanDerWaalsContact O-N 3.07Å; L263-G275 CarbonylContact O-C 3.59Å; L263-G275 VanDerWaalsContact O-CA 3.31Å; L263-G275 WeakPolarHBondContact O-CA 3.18Å; L263-I276 HydrophobicContact CB-CD1 3.87Å; L263-I276 HydrophobicContact CB-CG1 4.09Å; L263-I276 HydrophobicContact CB-CG2 4.21Å; L263-I276 HydrophobicContact CD1-CD1 4.37Å; L263-I276 HydrophobicContact CD2-CG2 4.35Å; L263-I276 PolarHBondContact O-N 2.98Å; L263-T305 HydrophobicContact CD1-CG2 3.91Å; L263-T305 HydrophobicContact CD2-CG2 4.03Å; L263-Y308 HydrophobicContact CD1-CD2 4.26Å; L263-Y308 HydrophobicContact CD1-CE2 4.18Å; L263-I311 HydrophobicContact CD1-CD1 4.42Å
264F98.6Very high97.4Very high4 Ų437.7 Ų37.72%0.01821%0.211CC..THydrogen-bonded Turntrans-90.3-31.8177.5-61.1-91.2000111.4V221 E261 T262 I276 H277 I311 R314 M315 E318V221-F264 HydrophobicContact CG1-CE2 3.65Å; V221-F264 HydrophobicContact CG1-CZ 4.11Å; V221-F264 HydrophobicContact CG2-CE2 4.18Å; E261-F264 CarbonylContact O-C 3.58Å; E261-F264 WeakPolarHBondContact O-CA 3.49Å; E261-F264 PolarHBondContact O-N 2.84Å; T262-F264 VanDerWaalsContact C-N 3.26Å; T262-F264 PolarHBondContact O-N 3.06Å; F264-I276 HydrophobicContact CD1-CG1 4.22Å; F264-I276 HydrophobicContact CE1-CD1 4.1Å; F264-I276 HydrophobicContact CE1-CG1 4.04Å; F264-I276 HydrophobicContact CE2-CD1 4.11Å; F264-I276 HydrophobicContact CZ-CD1 3.8Å; F264-I276 HydrophobicContact CZ-CG1 4.22Å; F264-H277 HydrophobicContact CD1-CB 4.21Å; F264-H277 AromaticContact CD1-CG 3.96Å; F264-H277 AromaticContact CD1-ND1 3.49Å; F264-H277 WeakPolarHBondContact CD1-ND1 3.41Å; F264-H277 HydrophobicContact CE1-CB 4.3Å; F264-H277 PolarHBondContact O-CE1 3.41Å; F264-I311 HydrophobicContact CZ-CG1 4.3Å; F264-R314 HydrophobicContact CD1-CG 4.13Å; F264-R314 HydrophobicContact CE1-CB 4.4Å; F264-R314 HydrophobicContact CE1-CG 3.54Å; F264-R314 HydrophobicContact CE2-CG 3.98Å; F264-R314 HydrophobicContact CZ-CB 4.02Å; F264-R314 HydrophobicContact CZ-CG 3.45Å; F264-R314 VanDerWaalsContact CZ-CG 3.45Å; F264-M315 HydrophobicContact CE1-CG 4.28Å; F264-M315 HydrophobicContact CE1-SD 3.72Å; F264-M315 HydrophobicContact CZ-CG 4.25Å; F264-M315 HydrophobicContact CZ-SD 4.13Å; F264-E318 HydrophobicContact CD1-CG 4.19Å; F264-E318 HydrophobicContact CE1-CG 4.23Å
265Q98.1Very high97.4Very high60 Ų6035.8 Ų35.828%0.2820%0.201SC..  trans-126.679.2-179.7-56.8-174.72700111E261 T262 S267 F268E261-Q265 HydrophobicContact CG-CG 4.27Å; E261-Q265 PolarHBondContact O-N 3.39Å; E261-Q265 PolarHBondContact OE1-NE2 3.33Å; T262-Q265 CarbonylContact O-C 3.15Å; T262-Q265 PolarHBondContact O-N 3.4Å; Q265-S267 PolarHBondContact O-N 3.36Å; Q265-F268 HydrophobicContact CB-CD1 4.2Å; Q265-F268 HydrophobicContact CB-CE1 4.18Å; Q265-F268 PolarHBondContact O-N 2.99Å; Q265-F268 VanDerWaalsContact O-N 3.13Å
266P97.9Very high97.4Very high4 Ų435.6 Ų35.63%0.02620%0.2CC..G310 helixtrans-59.7-18179.9-27.437.9000114.2L182 T262 F268 I269 M271 S273L182-P266 HydrophobicContact CD2-CB 3.96Å; L182-P266 HydrophobicContact CD2-CG 3.92Å; T262-P266 WeakPolarHBondContact O-CA 3.5Å; T262-P266 VanDerWaalsContact O-N 3.15Å; P266-F268 PolarHBondContact O-N 3.3Å; P266-F268 VanDerWaalsContact O-N 3.13Å; P266-I269 WeakPolarHBondContact O-CG1 3.49Å; P266-I269 PolarHBondContact O-N 2.91Å; P266-I269 VanDerWaalsContact O-N 3.12Å; P266-M271 CarbonylContact C-O 3.56Å; P266-M271 HydrophobicContact CB-CB 3.79Å; P266-M271 PolarHBondContact O-N 3.34Å; P266-M271 VanDerWaalsContact O-N 3.15Å; P266-S273 WeakPolarHBondContact CB-OG 3.33Å; P266-S273 WeakPolarHBondContact CG-O 3.31Å
267S97.4Very high97.5Very high81 Ų8135 Ų3557%0.56620%0.199SC*.G310 helixtrans-57.7-23.3174.459.70000113.8Q265 I269 G270 M271Q265-S267 PolarHBondContact O-N 3.36Å; S267-I269 PolarHBondContact O-N 3.41Å; S267-G270 PolarHBondContact O-N 2.92Å; S267-M271 PolarHBondContact N-O 2.8Å
268F94.7Very high97.5Very high57 Ų5738.6 Ų38.625%0.2522%0.216CC..G310 helixtrans-60.8-25.9176.4-79.716.4000113.3Y190 F225 E261 T262 Q265 P266Y190-F268 HydrophobicContact CE1-CB 4.46Å; Y190-F268 HydrophobicContact CE1-CD2 4.32Å; Y190-F268 HydrophobicContact CE2-CB 4.46Å; Y190-F268 WeakPolarHBondContact OH-CD2 3.44Å; F225-F268 HydrophobicContact CE1-CE2 4.36Å; F225-F268 AromaticContact CE1-CZ 3.93Å; F225-F268 HydrophobicContact CE1-CZ 3.93Å; F225-F268 HydrophobicContact CE2-CE2 4.47Å; F225-F268 AromaticContact CZ-CE2 3.87Å; F225-F268 HydrophobicContact CZ-CE2 3.87Å; F225-F268 AromaticContact CZ-CZ 3.9Å; F225-F268 HydrophobicContact CZ-CZ 3.9Å; E261-F268 HydrophobicContact CB-CE2 4.01Å; E261-F268 HydrophobicContact CG-CE2 3.84Å; E261-F268 HydrophobicContact CG-CZ 4.19Å; T262-F268 HydrophobicContact CG2-CB 4.31Å; Q265-F268 HydrophobicContact CB-CD1 4.2Å; Q265-F268 HydrophobicContact CB-CE1 4.18Å; Q265-F268 PolarHBondContact O-N 2.99Å; Q265-F268 VanDerWaalsContact O-N 3.13Å; P266-F268 PolarHBondContact O-N 3.3Å; P266-F268 VanDerWaalsContact O-N 3.13Å
269I96.3Very high97.5Very high53 Ų5336.6 Ų36.627%0.27221%0.209SC..G310 helixtrans-108.814.2174.857.4170.5000112.3L182 Y190 T262 P266 S267 M271L182-I269 HydrophobicContact CD1-CD1 3.45Å; L182-I269 VanDerWaalsContact CD1-CD1 3.45Å; L182-I269 HydrophobicContact CD2-CD1 4.37Å; L182-I269 HydrophobicContact CG-CD1 4.42Å; Y190-I269 HydrophobicContact CD1-CG2 4.4Å; Y190-I269 HydrophobicContact CD2-CG2 3.54Å; Y190-I269 HydrophobicContact CE2-CG2 4.26Å; Y190-I269 HydrophobicContact CG-CG2 3.62Å; T262-I269 HydrophobicContact CG2-CB 4.3Å; T262-I269 HydrophobicContact CG2-CD1 3.79Å; T262-I269 HydrophobicContact CG2-CG1 3.67Å; T262-I269 HydrophobicContact CG2-CG2 3.74Å; P266-I269 WeakPolarHBondContact O-CG1 3.49Å; P266-I269 PolarHBondContact O-N 2.91Å; P266-I269 VanDerWaalsContact O-N 3.12Å; S267-I269 PolarHBondContact O-N 3.41Å; I269-M271 VanDerWaalsContact C-N 3.35Å; I269-M271 HydrophobicContact CD1-CG 4Å; I269-M271 HydrophobicContact CD1-SD 3.42Å; I269-M271 WeakPolarHBondContact CD1-SD 3.39Å; I269-M271 HydrophobicContact CG1-CB 4.41Å; I269-M271 HydrophobicContact CG1-CG 3.95Å; I269-M271 HydrophobicContact CG1-SD 4.02Å
270G95.8Very high97.4Very high65 Ų6536.6 Ų36.667%0.6721%0.21SC*.THydrogen-bonded Turntrans76.317.8179.100000114.4S267S267-G270 PolarHBondContact O-N 2.92Å
271M95.4Very high97.4Very high56 Ų5639.2 Ų39.228%0.27622%0.22SC..  trans-88.5126.2175.2-68.8179.773.200111.1L180 L182 P266 S267 I269 S273L180-M271 HydrophobicContact CD1-CE 4.29Å; L182-M271 HydrophobicContact CB-CE 4.17Å; L182-M271 HydrophobicContact CB-SD 4.06Å; P266-M271 CarbonylContact C-O 3.56Å; P266-M271 HydrophobicContact CB-CB 3.79Å; P266-M271 PolarHBondContact O-N 3.34Å; P266-M271 VanDerWaalsContact O-N 3.15Å; S267-M271 PolarHBondContact N-O 2.8Å; I269-M271 VanDerWaalsContact C-N 3.35Å; I269-M271 HydrophobicContact CD1-CG 4Å; I269-M271 HydrophobicContact CD1-SD 3.42Å; I269-M271 WeakPolarHBondContact CD1-SD 3.39Å; I269-M271 HydrophobicContact CG1-CB 4.41Å; I269-M271 HydrophobicContact CG1-CG 3.95Å; I269-M271 HydrophobicContact CG1-SD 4.02Å; M271-S273 PolarHBondContact O-N 3.37Å
272E94.9Very high97.4Very high210 Ų21042.1 Ų42.198%0.98124%0.235SC*.  trans-87.343.6174-61.3-173.4170.200111.9
273S95.3Very high97.5Very high41 Ų4142.1 Ų42.129%0.28724%0.235SC..SBendtrans-112.8152.2177.658.90000111L180 P266 M271L180-S273 WeakPolarHBondContact CD1-OG 3.39Å; P266-S273 WeakPolarHBondContact CB-OG 3.33Å; P266-S273 WeakPolarHBondContact CG-O 3.31Å; M271-S273 PolarHBondContact O-N 3.37Å
274A97.8Very high97.5Very high31 Ų3142 Ų4226%0.25624%0.235SC..  trans-66.6151172.900000111.8E278 T279A274-E278 HydrophobicContact CB-CB 3.84Å; A274-T279 HydrophobicContact CB-CG2 4.11Å
275G98.2Very high97.4Very high0 Ų044.2 Ų44.20%025%0.245CC..  trans-71.7175.5178.600000114.1L263 H277 E278 T279L263-G275 CarbonylContact O-C 3.59Å; L263-G275 VanDerWaalsContact O-CA 3.31Å; L263-G275 WeakPolarHBondContact O-CA 3.18Å; G275-H277 VanDerWaalsContact C-N 3.27Å; G275-H277 PolarHBondContact O-N 3.05Å; G275-E278 PolarHBondContact N-OE1 3.49Å; G275-E278 PolarHBondContact O-N 3.46Å; G275-T279 WeakPolarHBondContact O-CB 3.32Å; G275-T279 WeakPolarHBondContact O-CG2 3.39Å; G275-T279 PolarHBondContact O-N 3.36Å; G275-T279 PolarHBondContact O-OG1 2.9Å
276I98.5Very high97.4Very high2 Ų246.3 Ų46.31%0.0125%0.254CS..Hα-helixtrans-61.2-33.3-178.758.1167.9000113.6L155 T162 L180 L263 F264 T279 A280 I311 M315L155-I276 HydrophobicContact CD1-CB 4.19Å; L155-I276 HydrophobicContact CD1-CG2 4.42Å; L155-I276 HydrophobicContact CD2-CB 4.22Å; L155-I276 HydrophobicContact CD2-CD1 4.05Å; T162-I276 HydrophobicContact CG2-CG2 3.95Å; L180-I276 HydrophobicContact CD2-CG2 4.15Å; L263-I276 HydrophobicContact CB-CD1 3.87Å; L263-I276 HydrophobicContact CB-CG1 4.09Å; L263-I276 HydrophobicContact CB-CG2 4.21Å; L263-I276 HydrophobicContact CD1-CD1 4.37Å; L263-I276 HydrophobicContact CD2-CG2 4.35Å; L263-I276 PolarHBondContact O-N 2.98Å; F264-I276 HydrophobicContact CD1-CG1 4.22Å; F264-I276 HydrophobicContact CE1-CD1 4.1Å; F264-I276 HydrophobicContact CE1-CG1 4.04Å; F264-I276 HydrophobicContact CE2-CD1 4.11Å; F264-I276 HydrophobicContact CZ-CD1 3.8Å; F264-I276 HydrophobicContact CZ-CG1 4.22Å; I276-T279 VanDerWaalsContact CA-OG1 3.27Å; I276-T279 WeakPolarHBondContact CA-OG1 3.33Å; I276-T279 PolarHBondContact O-OG1 3.25Å; I276-T279 VanDerWaalsContact O-OG1 3.07Å; I276-A280 WeakPolarHBondContact O-CB 3.44Å; I276-A280 PolarHBondContact O-N 3.1Å; I276-I311 HydrophobicContact CD1-CD1 4.24Å; I276-M315 HydrophobicContact CD1-SD 3.76Å; I276-M315 HydrophobicContact CG1-SD 3.84Å
277H98.5Very high97.5Very high19 Ų1946.2 Ų46.29%0.08825%0.253CS..Hα-helixtrans-72.3-45.5179.462-66000112.2F264 G275 A280 Y281 M315 E318F264-H277 HydrophobicContact CD1-CB 4.21Å; F264-H277 AromaticContact CD1-CG 3.96Å; F264-H277 AromaticContact CD1-ND1 3.49Å; F264-H277 WeakPolarHBondContact CD1-ND1 3.41Å; F264-H277 HydrophobicContact CE1-CB 4.3Å; F264-H277 PolarHBondContact O-CE1 3.41Å; G275-H277 VanDerWaalsContact C-N 3.27Å; G275-H277 PolarHBondContact O-N 3.05Å; H277-A280 PolarHBondContact O-N 3.35Å; H277-Y281 PolarHBondContact O-N 3.27Å; H277-M315 HydrophobicContact CB-CE 4.38Å; H277-M315 HydrophobicContact CB-SD 3.94Å; H277-E318 HydrophobicContact CB-CB 3.6Å; H277-E318 HydrophobicContact CB-CG 4.12Å; H277-E318 IonicContact CD2-OE2 3.73Å
278E98.4Very high97.5Very high75 Ų7547.9 Ų47.935%0.3526%0.256SS..Hα-helixtrans-66.1-42.5174.2-72.3175.7-95.800111.8A274 G275 A280 Y281 N282 L322A274-E278 HydrophobicContact CB-CB 3.84Å; G275-E278 PolarHBondContact N-OE1 3.49Å; G275-E278 PolarHBondContact O-N 3.46Å; E278-A280 VanDerWaalsContact C-N 3.33Å; E278-A280 PolarHBondContact O-N 3.29Å; E278-Y281 PolarHBondContact O-N 2.91Å; E278-N282 VanDerWaalsContact O-CB 3.25Å; E278-N282 WeakPolarHBondContact O-CB 3.46Å; E278-N282 PolarHBondContact O-N 2.96Å; E278-N282 PolarHBondContact O-ND2 3.49Å; E278-N282 VanDerWaalsContact O-ND2 3.14Å; E278-L322 HydrophobicContact CG-CD1 4.38Å
279T98.3Very high97.5Very high9 Ų951.1 Ų51.16%0.05527%0.274CS..Hα-helixtrans-65.4-36.3178.1510000112.1N164 A274 G275 I276 S283N164-T279 WeakPolarHBondContact ND2-CB 3.47Å; N164-T279 PolarHBondContact ND2-OG1 3.22Å; A274-T279 HydrophobicContact CB-CG2 4.11Å; G275-T279 WeakPolarHBondContact O-CB 3.32Å; G275-T279 WeakPolarHBondContact O-CG2 3.39Å; G275-T279 PolarHBondContact O-N 3.36Å; G275-T279 PolarHBondContact O-OG1 2.9Å; I276-T279 VanDerWaalsContact CA-OG1 3.27Å; I276-T279 WeakPolarHBondContact CA-OG1 3.33Å; I276-T279 PolarHBondContact O-OG1 3.25Å; I276-T279 VanDerWaalsContact O-OG1 3.07Å; T279-S283 VanDerWaalsContact O-CB 3.31Å; T279-S283 WeakPolarHBondContact O-CB 3.41Å; T279-S283 PolarHBondContact O-N 3.02Å
280A98.4Very high97.6Very high1 Ų155.6 Ų55.61%0.00830%0.299CS..Hα-helixtrans-61.8-49.5170.300000111.6N164 I276 H277 E278 N282 S283 I284 M315 I319N164-A280 PolarHBondContact ND2-N 2.96Å; N164-A280 WeakPolarHBondContact OD1-CA 3.15Å; N164-A280 VanDerWaalsContact OD1-CB 3.3Å; N164-A280 WeakPolarHBondContact OD1-CB 3.13Å; I276-A280 WeakPolarHBondContact O-CB 3.44Å; I276-A280 PolarHBondContact O-N 3.1Å; H277-A280 PolarHBondContact O-N 3.35Å; E278-A280 VanDerWaalsContact C-N 3.33Å; E278-A280 PolarHBondContact O-N 3.29Å; A280-N282 PolarHBondContact O-N 3Å; A280-S283 WeakPolarHBondContact O-CB 3.18Å; A280-S283 PolarHBondContact O-N 3.41Å; A280-I284 WeakPolarHBondContact O-CG1 3.3Å; A280-I284 PolarHBondContact O-N 2.76Å; A280-I284 VanDerWaalsContact O-N 3.13Å; A280-M315 HydrophobicContact CB-CE 4.22Å; A280-I319 HydrophobicContact CB-CD1 4.13Å
281Y98.5Very high97.7Very high55 Ų5553.3 Ų53.322%0.21627%0.271CS..Hα-helixtrans-59.1-47.9176.7172.9-93.9000112.5H277 E278 S283 I284 M285 Y296 L322H277-Y281 PolarHBondContact O-N 3.27Å; E278-Y281 PolarHBondContact O-N 2.91Å; Y281-S283 VanDerWaalsContact C-N 3.29Å; Y281-S283 PolarHBondContact O-N 2.72Å; Y281-I284 PolarHBondContact O-N 3.3Å; Y281-I284 VanDerWaalsContact O-N 3.16Å; Y281-M285 HydrophobicContact CD1-CG 4.04Å; Y281-M285 HydrophobicContact CD2-CE 4.42Å; Y281-M285 HydrophobicContact CD2-CG 4.49Å; Y281-M285 HydrophobicContact CE1-CG 3.55Å; Y281-M285 HydrophobicContact CE2-CE 3.66Å; Y281-M285 HydrophobicContact CE2-CG 4.06Å; Y281-M285 HydrophobicContact CE2-SD 4.46Å; Y281-M285 HydrophobicContact CG-CG 4.48Å; Y281-M285 WeakPolarHBondContact O-CG 3.23Å; Y281-M285 PolarHBondContact O-N 2.8Å; Y281-Y296 WeakPolarHBondContact CD2-OH 3.18Å; Y281-Y296 VanDerWaalsContact CE2-OH 3.27Å; Y281-Y296 WeakPolarHBondContact CE2-OH 3.42Å; Y281-L322 HydrophobicContact CD2-CB 3.64Å; Y281-L322 HydrophobicContact CE2-CB 3.95Å; Y281-L322 WeakPolarHBondContact CE2-O 3.35Å; Y281-L322 HydrophobicContact CG-CB 4.01Å; Y281-L322 HydrophobicContact CG-CD1 4.18Å
282N98.5Very high97.8Very high60 Ų6053 Ų5332%0.32127%0.267SS..Hα-helixtrans-62.6-37.1179.9-71.9-26.8000111.7M178 E278 A280 M285 K286M178-N282 HydrophobicContact CE-CB 4.29Å; E278-N282 VanDerWaalsContact O-CB 3.25Å; E278-N282 WeakPolarHBondContact O-CB 3.46Å; E278-N282 PolarHBondContact O-N 2.96Å; E278-N282 PolarHBondContact O-ND2 3.49Å; E278-N282 VanDerWaalsContact O-ND2 3.14Å; A280-N282 PolarHBondContact O-N 3Å; N282-M285 PolarHBondContact O-N 3.47Å; N282-K286 WeakPolarHBondContact O-CG 3.47Å; N282-K286 PolarHBondContact O-N 2.89Å
283S98.5Very high97.9Very high0 Ų049.6 Ų49.60%025%0.249CC..Hα-helixtrans-60.8-47.3173.2-177.10000111.3P166 A176 T279 A280 Y281 M285 K286 C287P166-S283 WeakPolarHBondContact CD-OG 3.28Å; P166-S283 WeakPolarHBondContact CG-OG 3.14Å; A176-S283 WeakPolarHBondContact O-CB 3.35Å; A176-S283 PolarHBondContact O-OG 3.42Å; T279-S283 VanDerWaalsContact O-CB 3.31Å; T279-S283 WeakPolarHBondContact O-CB 3.41Å; T279-S283 PolarHBondContact O-N 3.02Å; A280-S283 WeakPolarHBondContact O-CB 3.18Å; A280-S283 PolarHBondContact O-N 3.41Å; Y281-S283 VanDerWaalsContact C-N 3.29Å; Y281-S283 PolarHBondContact O-N 2.72Å; S283-M285 VanDerWaalsContact C-N 3.31Å; S283-M285 PolarHBondContact O-N 3.33Å; S283-K286 WeakPolarHBondContact O-CB 3.11Å; S283-K286 PolarHBondContact O-N 3.21Å; S283-C287 PolarHBondContact O-SG 3.45Å
284I98.4Very high98Very high0 Ų050.8 Ų50.80%025%0.252CS..Hα-helixtrans-62.7-38.2175.6-61.8171000111.3I153 A280 Y281 K286 C287 R292 L295 Y296I153-I284 HydrophobicContact CD1-CD1 4.35Å; I153-I284 HydrophobicContact CD1-CG1 3.72Å; I153-I284 HydrophobicContact CG2-CD1 4.17Å; I153-I284 HydrophobicContact CG2-CG1 4.36Å; A280-I284 WeakPolarHBondContact O-CG1 3.3Å; A280-I284 PolarHBondContact O-N 2.76Å; A280-I284 VanDerWaalsContact O-N 3.13Å; Y281-I284 PolarHBondContact O-N 3.3Å; Y281-I284 VanDerWaalsContact O-N 3.16Å; I284-K286 VanDerWaalsContact C-N 3.27Å; I284-K286 PolarHBondContact O-N 3.13Å; I284-C287 WeakPolarHBondContact O-CB 3.1Å; I284-C287 PolarHBondContact O-N 3.04Å; I284-C287 VanDerWaalsContact O-N 3.14Å; I284-R292 HydrophobicContact CG2-CB 3.87Å; I284-R292 HydrophobicContact CG2-CG 3.92Å; I284-R292 PolarHBondContact O-NE 3.09Å; I284-L295 HydrophobicContact CD1-CB 4.4Å; I284-L295 HydrophobicContact CG1-CB 4.1Å; I284-L295 HydrophobicContact CG1-CD1 4.45Å; I284-L295 HydrophobicContact CG2-CB 4.3Å; I284-L295 HydrophobicContact CG2-CD1 4.35Å; I284-Y296 HydrophobicContact CB-CE1 4.48Å; I284-Y296 HydrophobicContact CD1-CD1 3.48Å; I284-Y296 VanDerWaalsContact CD1-CD1 3.48Å; I284-Y296 HydrophobicContact CD1-CE1 3.48Å; I284-Y296 VanDerWaalsContact CD1-CE1 3.48Å; I284-Y296 HydrophobicContact CD1-CG 4.22Å; I284-Y296 HydrophobicContact CG2-CD1 4.49Å; I284-Y296 HydrophobicContact CG2-CD2 4.19Å; I284-Y296 HydrophobicContact CG2-CE1 4.12Å; I284-Y296 HydrophobicContact CG2-CE2 3.79Å
285M98Very high98Very high49 Ų4949.3 Ų49.324%0.24124%0.24CC..Hα-helixtrans-70.2-20.6178.7-73.4-64.9137.500114Y281 N282 S283 C287 R292 Y296Y281-M285 HydrophobicContact CD1-CG 4.04Å; Y281-M285 HydrophobicContact CD2-CE 4.42Å; Y281-M285 HydrophobicContact CD2-CG 4.49Å; Y281-M285 HydrophobicContact CE1-CG 3.55Å; Y281-M285 HydrophobicContact CE2-CE 3.66Å; Y281-M285 HydrophobicContact CE2-CG 4.06Å; Y281-M285 HydrophobicContact CE2-SD 4.46Å; Y281-M285 HydrophobicContact CG-CG 4.48Å; Y281-M285 WeakPolarHBondContact O-CG 3.23Å; Y281-M285 PolarHBondContact O-N 2.8Å; N282-M285 PolarHBondContact O-N 3.47Å; S283-M285 VanDerWaalsContact C-N 3.31Å; S283-M285 PolarHBondContact O-N 3.33Å; M285-C287 VanDerWaalsContact C-N 3.32Å; M285-R292 PolarHBondContact O-NH2 2.93Å; M285-R292 PolarHBondContact SD-NH1 3.46Å; M285-Y296 HydrophobicContact CE-CE2 4.24Å; M285-Y296 WeakPolarHBondContact CE-OH 3.37Å
286K98.4Very high98Very high105 Ų10549.3 Ų49.346%0.45724%0.24SC..Hα-helixtrans-78-17.2171-75.2178.7174.3-1730113.2A176 M178 N282 S283 I284A176-K286 HydrophobicContact CB-CB 3.76Å; M178-K286 HydrophobicContact SD-CD 4.06Å; M178-K286 PolarHBondContact SD-NZ 2.95Å; N282-K286 WeakPolarHBondContact O-CG 3.47Å; N282-K286 PolarHBondContact O-N 2.89Å; S283-K286 WeakPolarHBondContact O-CB 3.11Å; S283-K286 PolarHBondContact O-N 3.21Å; I284-K286 VanDerWaalsContact C-N 3.27Å; I284-K286 PolarHBondContact O-N 3.13Å
287C98.2Very high98Very high2 Ų250.5 Ų50.51%0.01425%0.25CC..SBendtrans-82.1159.7177.4-65.40000112.4A176 S283 I284 M285 I291 R292 L295A176-C287 WeakPolarHBondContact CB-SG 3.34Å; S283-C287 PolarHBondContact O-SG 3.45Å; I284-C287 WeakPolarHBondContact O-CB 3.1Å; I284-C287 PolarHBondContact O-N 3.04Å; I284-C287 VanDerWaalsContact O-N 3.14Å; M285-C287 VanDerWaalsContact C-N 3.32Å; C287-I291 HydrophobicContact CB-CD1 3.86Å; C287-I291 HydrophobicContact CB-CG1 4.02Å; C287-R292 VanDerWaalsContact O-CZ 3.29Å; C287-R292 PolarHBondContact O-NE 3.49Å; C287-R292 PolarHBondContact O-NH2 3.45Å; C287-L295 HydrophobicContact CB-CD1 3.79Å
288D97.4Very high98Very high116 Ų11651.2 Ų51.262%0.6225%0.254SS*.  trans-58.4143.4175-66-30.2000111.7D290 I291 R292D288-D290 PolarHBondContact O-N 2.88Å; D288-I291 HydrophobicContact CB-CG1 4.4Å; D288-I291 VanDerWaalsContact O-CG1 3.24Å; D288-I291 WeakPolarHBondContact O-CG1 3.31Å; D288-I291 PolarHBondContact O-N 2.8Å; D288-R292 WeakPolarHBondContact O-CG 3.41Å
289I96.5Very high98Very high125 Ų12548 Ų4864%0.64124%0.239SC*.Hα-helixtrans-56.3-38.9-173.3-65.7172.6000111.6I291 R292I289-I291 VanDerWaalsContact C-N 3.26Å; I289-I291 PolarHBondContact O-N 3.19Å; I289-R292 PolarHBondContact O-N 3.08Å
290D96.9Very high98Very high146 Ų14647.6 Ų47.678%0.78124%0.237SC*.Hα-helixtrans-65.3-28.5-174-63.8-24000113D288D288-D290 PolarHBondContact O-N 2.88Å
291I97.6Very high98Very high17 Ų1747.6 Ų47.69%0.08724%0.237CC..Hα-helixtrans-95-14.3-177.767.3166.9000113.2Y168 L173 C287 D288 I289 K293 D294 L295Y168-I291 HydrophobicContact CD2-CB 3.99Å; Y168-I291 HydrophobicContact CD2-CD1 4.41Å; Y168-I291 HydrophobicContact CD2-CG2 3.61Å; Y168-I291 HydrophobicContact CE2-CB 4.09Å; Y168-I291 HydrophobicContact CE2-CG2 3.38Å; Y168-I291 HydrophobicContact CG-CG2 4.29Å; L173-I291 HydrophobicContact CD1-CD1 3.5Å; C287-I291 HydrophobicContact CB-CD1 3.86Å; C287-I291 HydrophobicContact CB-CG1 4.02Å; D288-I291 HydrophobicContact CB-CG1 4.4Å; D288-I291 VanDerWaalsContact O-CG1 3.24Å; D288-I291 WeakPolarHBondContact O-CG1 3.31Å; D288-I291 PolarHBondContact O-N 2.8Å; I289-I291 VanDerWaalsContact C-N 3.26Å; I289-I291 PolarHBondContact O-N 3.19Å; I291-K293 PolarHBondContact O-N 2.83Å; I291-D294 PolarHBondContact O-N 3.07Å; I291-L295 HydrophobicContact CD1-CD1 4.24Å; I291-L295 HydrophobicContact CG1-CD1 4.28Å; I291-L295 WeakPolarHBondContact O-CG 3.42Å; I291-L295 PolarHBondContact O-N 3.11Å; I291-L295 VanDerWaalsContact O-N 3.1Å
292R98Very high98Very high50 Ų5045 Ų4519%0.18923%0.227CC..Hα-helixtrans-59-36-175.1-61.9-174.1-171.8-179.2-0.5113I284 M285 C287 D288 I289 D294 L295 Y296I284-R292 HydrophobicContact CG2-CB 3.87Å; I284-R292 HydrophobicContact CG2-CG 3.92Å; I284-R292 PolarHBondContact O-NE 3.09Å; M285-R292 PolarHBondContact O-NH2 2.93Å; M285-R292 PolarHBondContact SD-NH1 3.46Å; C287-R292 VanDerWaalsContact O-CZ 3.29Å; C287-R292 PolarHBondContact O-NE 3.49Å; C287-R292 PolarHBondContact O-NH2 3.45Å; D288-R292 WeakPolarHBondContact O-CG 3.41Å; I289-R292 PolarHBondContact O-N 3.08Å; R292-D294 VanDerWaalsContact C-N 3.29Å; R292-D294 PolarHBondContact O-N 2.84Å; R292-L295 PolarHBondContact O-N 2.71Å; R292-Y296 HydrophobicContact CB-CD2 4.39Å; R292-Y296 HydrophobicContact CB-CE2 4.34Å; R292-Y296 WeakPolarHBondContact O-CB 3.38Å; R292-Y296 WeakPolarHBondContact O-CD2 3.43Å; R292-Y296 PolarHBondContact O-N 2.91Å
293K97.8Very high97.9Very high139 Ų13942.5 Ų42.560%0.60422%0.215SC*.Hα-helixtrans-58.6-43.7177.4-179.3-175.3173.5-171.70111.3I291 A297 M327I291-K293 PolarHBondContact O-N 2.83Å; K293-A297 WeakPolarHBondContact O-CB 3.43Å; K293-A297 PolarHBondContact O-N 2.75Å; K293-A297 VanDerWaalsContact O-N 3.11Å; K293-M327 HydrophobicContact CB-SD 4.19Å; K293-M327 HydrophobicContact CG-SD 4.47Å
294D97.6Very high97.9Very high66 Ų6644.6 Ų44.635%0.35324%0.237SC..Hα-helixtrans-72.6-37.4-179.5-65.5-23.9000111.4T151 I291 R292 A297 N298T151-D294 HydrophobicContact CG2-CB 3.82Å; I291-D294 PolarHBondContact O-N 3.07Å; R292-D294 VanDerWaalsContact C-N 3.29Å; R292-D294 PolarHBondContact O-N 2.84Å; D294-A297 PolarHBondContact O-N 3.14Å; D294-N298 WeakPolarHBondContact O-CB 3.49Å; D294-N298 PolarHBondContact O-N 2.87Å; D294-N298 VanDerWaalsContact O-N 3.15Å; D294-N298 PolarHBondContact O-ND2 3.05Å
295L98.2Very high97.9Very high0 Ų045 Ų450%024%0.239CC..Hα-helixtrans-62.1-46.2173.8-60.4179.5000111.3G152 P166 I284 C287 I291 R292 A297 N298 N299G152-L295 VanDerWaalsContact C-CD2 3.45Å; G152-L295 WeakPolarHBondContact O-CD2 3.3Å; P166-L295 HydrophobicContact CB-CD1 4.06Å; P166-L295 HydrophobicContact CB-CD2 4.22Å; I284-L295 HydrophobicContact CD1-CB 4.4Å; I284-L295 HydrophobicContact CG1-CB 4.1Å; I284-L295 HydrophobicContact CG1-CD1 4.45Å; I284-L295 HydrophobicContact CG2-CB 4.3Å; I284-L295 HydrophobicContact CG2-CD1 4.35Å; C287-L295 HydrophobicContact CB-CD1 3.79Å; I291-L295 HydrophobicContact CD1-CD1 4.24Å; I291-L295 HydrophobicContact CG1-CD1 4.28Å; I291-L295 WeakPolarHBondContact O-CG 3.42Å; I291-L295 PolarHBondContact O-N 3.11Å; I291-L295 VanDerWaalsContact O-N 3.1Å; R292-L295 PolarHBondContact O-N 2.71Å; L295-A297 VanDerWaalsContact C-N 3.32Å; L295-A297 PolarHBondContact O-N 3.02Å; L295-N298 CarbonylContact O-C 3.59Å; L295-N298 VanDerWaalsContact O-C 3.31Å; L295-N298 PolarHBondContact O-N 3.36Å; L295-N298 VanDerWaalsContact O-N 3.14Å; L295-N299 PolarHBondContact O-ND2 2.98Å
296Y98.3Very high97.9Very high0 Ų042.7 Ų42.70%023%0.228CC..Hα-helixtrans-62-37176.4-80.6-51.8000113.6Y281 I284 M285 R292 N298 N299 I319 A323 M327 K328 I329 K330Y281-Y296 WeakPolarHBondContact CD2-OH 3.18Å; Y281-Y296 VanDerWaalsContact CE2-OH 3.27Å; Y281-Y296 WeakPolarHBondContact CE2-OH 3.42Å; I284-Y296 HydrophobicContact CB-CE1 4.48Å; I284-Y296 HydrophobicContact CD1-CD1 3.48Å; I284-Y296 VanDerWaalsContact CD1-CD1 3.48Å; I284-Y296 HydrophobicContact CD1-CE1 3.48Å; I284-Y296 VanDerWaalsContact CD1-CE1 3.48Å; I284-Y296 HydrophobicContact CD1-CG 4.22Å; I284-Y296 HydrophobicContact CG2-CD1 4.49Å; I284-Y296 HydrophobicContact CG2-CD2 4.19Å; I284-Y296 HydrophobicContact CG2-CE1 4.12Å; I284-Y296 HydrophobicContact CG2-CE2 3.79Å; M285-Y296 HydrophobicContact CE-CE2 4.24Å; M285-Y296 WeakPolarHBondContact CE-OH 3.37Å; R292-Y296 HydrophobicContact CB-CD2 4.39Å; R292-Y296 HydrophobicContact CB-CE2 4.34Å; R292-Y296 WeakPolarHBondContact O-CB 3.38Å; R292-Y296 WeakPolarHBondContact O-CD2 3.43Å; R292-Y296 PolarHBondContact O-N 2.91Å; Y296-N298 PolarHBondContact O-N 3.33Å; Y296-N299 WeakPolarHBondContact CA-ND2 3.42Å; Y296-N299 PolarHBondContact O-ND2 3.41Å; Y296-I319 HydrophobicContact CD1-CG2 3.97Å; Y296-I319 HydrophobicContact CE1-CG2 3.87Å; Y296-A323 HydrophobicContact CD1-CB 4.39Å; Y296-A323 HydrophobicContact CE1-CB 3.78Å; Y296-A323 HydrophobicContact CE2-CB 4.37Å; Y296-M327 HydrophobicContact CD2-CB 3.99Å; Y296-M327 HydrophobicContact CD2-CG 3.74Å; Y296-M327 HydrophobicContact CD2-SD 4.09Å; Y296-M327 HydrophobicContact CE2-CB 4.45Å; Y296-M327 HydrophobicContact CE2-CG 3.95Å; Y296-M327 HydrophobicContact CG-CB 4.42Å; Y296-K328 CarbonylContact C-O 3.51Å; Y296-I329 HydrophobicContact CD1-CD1 3.38Å; Y296-I329 HydrophobicContact CD2-CD1 4.37Å; Y296-I329 HydrophobicContact CE1-CD1 4.05Å; Y296-I329 HydrophobicContact CG-CD1 3.57Å; Y296-K330 PolarHBondContact O-N 2.83Å
297A97.7Very high97.9Very high27 Ų2740.8 Ų40.822%0.22322%0.222CC..Hα-helixtrans-77.2-9.2178.200000113.5K293 D294 L295 K330K293-A297 WeakPolarHBondContact O-CB 3.43Å; K293-A297 PolarHBondContact O-N 2.75Å; K293-A297 VanDerWaalsContact O-N 3.11Å; D294-A297 PolarHBondContact O-N 3.14Å; L295-A297 VanDerWaalsContact C-N 3.32Å; L295-A297 PolarHBondContact O-N 3.02Å; A297-K330 WeakPolarHBondContact O-CB 3.31Å
298N98Very high97.9Very high34 Ų3441.3 Ų41.318%0.18222%0.223CC..  trans-13862-175.8-61.4-71.3000111.5R149 G152 I153 D294 L295 Y296R149-N298 VanDerWaalsContact CD-OD1 3.32Å; R149-N298 WeakPolarHBondContact CD-OD1 3.48Å; R149-N298 PolarHBondContact NE-OD1 3.39Å; G152-N298 CarbonylContact C-O 3.6Å; G152-N298 VanDerWaalsContact CA-O 3.31Å; G152-N298 WeakPolarHBondContact CA-O 3.46Å; I153-N298 PolarHBondContact N-O 2.85Å; D294-N298 WeakPolarHBondContact O-CB 3.49Å; D294-N298 PolarHBondContact O-N 2.87Å; D294-N298 VanDerWaalsContact O-N 3.15Å; D294-N298 PolarHBondContact O-ND2 3.05Å; L295-N298 CarbonylContact O-C 3.59Å; L295-N298 VanDerWaalsContact O-C 3.31Å; L295-N298 PolarHBondContact O-N 3.36Å; L295-N298 VanDerWaalsContact O-N 3.14Å; Y296-N298 PolarHBondContact O-N 3.33Å
299N98.2Very high98Very high7 Ų739.8 Ų39.84%0.03722%0.22CC..EExtended strand (participates in β ladder)trans-87.8104.8170.7-72.6-101.2000109.3I153 L295 Y296 K330 I331 I332I153-N299 HydrophobicContact CG2-CB 4.17Å; I153-N299 WeakPolarHBondContact CG2-OD1 3.23Å; I153-N299 CarbonylContact O-C 3.31Å; I153-N299 WeakPolarHBondContact O-CA 3.41Å; L295-N299 PolarHBondContact O-ND2 2.98Å; Y296-N299 WeakPolarHBondContact CA-ND2 3.42Å; Y296-N299 PolarHBondContact O-ND2 3.41Å; N299-K330 WeakPolarHBondContact CB-O 3.32Å; N299-K330 PolarHBondContact N-O 3.11Å; N299-K330 VanDerWaalsContact N-O 3.14Å; N299-I331 HydrophobicContact CB-CD1 3.64Å; N299-I331 CarbonylContact O-C 3.47Å; N299-I332 PolarHBondContact O-N 3.36Å
300V98.7Very high98.1Very high0 Ų035.2 Ų35.20%020%0.203CC..EExtended strand (participates in β ladder)trans-99.2128.3-177.8-1790000110.2L144 I153 V154 L155 I332L144-V300 HydrophobicContact CD1-CB 4.43Å; L144-V300 HydrophobicContact CD1-CG2 3.73Å; I153-V300 PolarHBondContact O-N 2.89Å; V154-V300 CarbonylContact C-O 3.53Å; V154-V300 VanDerWaalsContact CA-O 3.31Å; V154-V300 WeakPolarHBondContact CA-O 3.35Å; V154-V300 HydrophobicContact CG2-CB 4.3Å; L155-V300 PolarHBondContact N-O 3.43Å; V300-I332 CarbonylContact C-O 3.56Å; V300-I332 WeakPolarHBondContact CA-O 3.42Å; V300-I332 HydrophobicContact CG2-CB 4.23Å; V300-I332 HydrophobicContact CG2-CD1 4.02Å; V300-I332 HydrophobicContact CG2-CG2 4.47Å
301L98.7Very high98.2Very high2 Ų228.3 Ų28.31%0.0117%0.166CC..EExtended strand (participates in β ladder)trans-91132.4174.4-54.3-168.2000110.3L155 T306 I311 A312 I331 I332 A333 R337L155-L301 HydrophobicContact CB-CD2 3.91Å; L155-L301 HydrophobicContact CD2-CD2 3.87Å; L155-L301 HydrophobicContact CG-CD2 4.38Å; L301-T306 HydrophobicContact CB-CG2 4.42Å; L301-I311 HydrophobicContact CD1-CG2 4.03Å; L301-A312 HydrophobicContact CD1-CB 4.28Å; L301-I331 HydrophobicContact CD1-CG2 3.86Å; L301-I331 HydrophobicContact CD2-CG2 4.09Å; L301-I331 HydrophobicContact CG-CG2 3.82Å; L301-I332 PolarHBondContact N-O 3.14Å; L301-A333 HydrophobicContact CB-CB 4.32Å; L301-A333 HydrophobicContact CD1-CB 3.94Å; L301-A333 HydrophobicContact CG-CB 4.29Å; L301-R337 WeakPolarHBondContact O-CB 3.19Å
302S98.3Very high98.2Very high0 Ų028.7 Ų28.70%017%0.172CC..EExtended strand (participates in β ladder)trans-137.4157.3176.5-167.80000111.4S143 L155 D156 S157 T306S143-S302 WeakPolarHBondContact CB-OG 3.23Å; S143-S302 WeakPolarHBondContact OG-CB 3.3Å; S143-S302 PolarHBondContact OG-OG 2.74Å; L155-S302 PolarHBondContact O-N 2.88Å; D156-S302 WeakPolarHBondContact CA-O 3.42Å; S157-S302 PolarHBondContact N-O 3.3Å; S302-T306 WeakPolarHBondContact O-CG2 3.32Å; S302-T306 PolarHBondContact O-OG1 3.45Å
303G97.3Very high98.2Very high7 Ų731.4 Ų31.47%0.07219%0.19CC..SBendtrans90.4153.7174.900000114.2S157 T305 T306 R337S157-G303 CarbonylContact O-C 3.57Å; S157-G303 WeakPolarHBondContact O-CA 3.23Å; G303-T305 VanDerWaalsContact C-N 3.29Å; G303-T305 PolarHBondContact O-N 3.25Å; G303-T306 PolarHBondContact O-N 3.42Å; G303-T306 VanDerWaalsContact O-N 3.09Å; G303-T306 PolarHBondContact O-OG1 3.06Å; G303-R337 PolarHBondContact N-O 3.35Å
304G97.3Very high98.3Very high45 Ų4525.4 Ų25.446%0.46416%0.164SC..G310 helixtrans-61.3-31.3-170.400000114.6S157 T306 M307S157-G304 PolarHBondContact O-N 3.15Å; G304-T306 PolarHBondContact O-N 3.1Å; G304-M307 WeakPolarHBondContact O-CB 3.38Å; G304-M307 VanDerWaalsContact O-CG 3.23Å; G304-M307 WeakPolarHBondContact O-CG 3.14Å; G304-M307 PolarHBondContact O-N 3.32Å; G304-M307 VanDerWaalsContact O-N 3.1Å
305T98.6Very high98.3Very high8 Ų822.4 Ų22.45%0.04915%0.147CC..G310 helixtrans-75.2-15.2-179.7-63.70000112.2S157 G158 G184 L187 L263 G303 M307 Y308S157-T305 WeakPolarHBondContact O-CB 3.24Å; S157-T305 PolarHBondContact O-N 2.85Å; S157-T305 WeakPolarHBondContact OG-CB 3.37Å; S157-T305 WeakPolarHBondContact OG-CG2 3.49Å; G158-T305 WeakPolarHBondContact O-CB 3.43Å; G158-T305 PolarHBondContact O-OG1 3.25Å; G184-T305 WeakPolarHBondContact CA-OG1 3.34Å; G184-T305 PolarHBondContact N-OG1 3.06Å; G184-T305 VanDerWaalsContact N-OG1 3.11Å; L187-T305 HydrophobicContact CD1-CG2 3.65Å; L263-T305 HydrophobicContact CD1-CG2 3.91Å; L263-T305 HydrophobicContact CD2-CG2 4.03Å; G303-T305 VanDerWaalsContact C-N 3.29Å; G303-T305 PolarHBondContact O-N 3.25Å; T305-M307 PolarHBondContact O-N 3.4Å; T305-Y308 HydrophobicContact CG2-CE2 4.06Å; T305-Y308 WeakPolarHBondContact O-CD2 3.47Å; T305-Y308 WeakPolarHBondContact O-CE2 3.44Å
306T98.6Very high98.4Very high0 Ų025.1 Ų25.10%016%0.16CC..G310 helixtrans-83.66.5169.674.40000113.4L301 S302 G303 G304 Y308 I311 R337L301-T306 HydrophobicContact CB-CG2 4.42Å; S302-T306 WeakPolarHBondContact O-CG2 3.32Å; S302-T306 PolarHBondContact O-OG1 3.45Å; G303-T306 PolarHBondContact O-N 3.42Å; G303-T306 VanDerWaalsContact O-N 3.09Å; G303-T306 PolarHBondContact O-OG1 3.06Å; G304-T306 PolarHBondContact O-N 3.1Å; T306-Y308 VanDerWaalsContact C-N 3.32Å; T306-Y308 PolarHBondContact O-N 2.54Å; T306-I311 VanDerWaalsContact O-CG2 3.31Å; T306-I311 WeakPolarHBondContact O-CG2 3.47Å; T306-R337 PolarHBondContact O-NE 2.85Å; T306-R337 PolarHBondContact O-NH2 2.75Å; T306-R337 WeakPolarHBondContact OG1-CD 3.27Å
307M98.4Very high98.4Very high66 Ų6629.2 Ų29.233%0.32518%0.178SC..G310 helixtrans-80.4-9.1-179.7-66.2-62.8-64.600114G304 T305 R337 K338G304-M307 WeakPolarHBondContact O-CB 3.38Å; G304-M307 VanDerWaalsContact O-CG 3.23Å; G304-M307 WeakPolarHBondContact O-CG 3.14Å; G304-M307 PolarHBondContact O-N 3.32Å; G304-M307 VanDerWaalsContact O-N 3.1Å; T305-M307 PolarHBondContact O-N 3.4Å; M307-R337 HydrophobicContact SD-CG 3.41Å; M307-R337 WeakPolarHBondContact SD-CG 3.38Å; M307-K338 HydrophobicContact CG-CB 4.23Å; M307-K338 HydrophobicContact SD-CB 4.18Å
308Y98.6Very high98.4Very high13 Ų1329.8 Ų29.85%0.05118%0.176CC..SBendtrans-56.7130.7179.2-66.2-62.7000111.7L187 K215 C219 V221 P260 L263 T305 T306 G310 I311L187-Y308 HydrophobicContact CD1-CE2 3.65Å; L187-Y308 VanDerWaalsContact CD1-OH 3.3Å; L187-Y308 WeakPolarHBondContact CD1-OH 3.2Å; K215-Y308 WeakPolarHBondContact CD-OH 3.38Å; K215-Y308 HydrophobicContact CG-CE1 4.07Å; K215-Y308 WeakPolarHBondContact CG-OH 3.34Å; C219-Y308 HydrophobicContact CB-CD1 3.91Å; C219-Y308 HydrophobicContact CB-CE1 3.6Å; V221-Y308 HydrophobicContact CG2-CD2 4.45Å; V221-Y308 HydrophobicContact CG2-CG 4.37Å; P260-Y308 HydrophobicContact CB-CD1 4.31Å; P260-Y308 HydrophobicContact CB-CD2 3.79Å; P260-Y308 HydrophobicContact CB-CE1 4.33Å; P260-Y308 HydrophobicContact CB-CE2 3.78Å; P260-Y308 HydrophobicContact CB-CG 4.06Å; L263-Y308 HydrophobicContact CD1-CD2 4.26Å; L263-Y308 HydrophobicContact CD1-CE2 4.18Å; T305-Y308 HydrophobicContact CG2-CE2 4.06Å; T305-Y308 WeakPolarHBondContact O-CD2 3.47Å; T305-Y308 WeakPolarHBondContact O-CE2 3.44Å; T306-Y308 VanDerWaalsContact C-N 3.32Å; T306-Y308 PolarHBondContact O-N 2.54Å; Y308-G310 PolarHBondContact O-N 2.71Å; Y308-I311 WeakPolarHBondContact O-CB 3.31Å; Y308-I311 WeakPolarHBondContact O-CG2 3.1Å; Y308-I311 PolarHBondContact O-N 3.14Å
309P98.7Very high98.4Very high84 Ų8428.1 Ų28.155%0.54517%0.167SC..THydrogen-bonded Turntrans-54.6139.5169.4-24.934.5000110.9V221 I311V221-P309 PolarHBondContact N-O 3.41Å; P309-I311 VanDerWaalsContact C-N 3.32Å; P309-I311 PolarHBondContact O-N 2.87Å
310G98.4Very high98.4Very high28 Ų2831.3 Ų31.329%0.28919%0.187SC..THydrogen-bonded Turntrans83.2-8.9178.800000116Y308 A312 D313 R314Y308-G310 PolarHBondContact O-N 2.71Å; G310-A312 VanDerWaalsContact C-N 3.33Å; G310-A312 PolarHBondContact O-N 3.5Å; G310-D313 PolarHBondContact O-N 3.41Å; G310-R314 PolarHBondContact O-N 3.03Å
311I98.8Very high98.4Very high2 Ų235.2 Ų35.21%0.0122%0.22CC..Hα-helixtrans-63-38.4-177.3-164.7176000112.9V221 L263 F264 I276 L301 T306 Y308 P309 R314 M315V221-I311 HydrophobicContact CB-CB 4.35Å; V221-I311 HydrophobicContact CG2-CB 4.01Å; V221-I311 HydrophobicContact CG2-CG1 4.21Å; L263-I311 HydrophobicContact CD1-CD1 4.42Å; F264-I311 HydrophobicContact CZ-CG1 4.3Å; I276-I311 HydrophobicContact CD1-CD1 4.24Å; L301-I311 HydrophobicContact CD1-CG2 4.03Å; T306-I311 VanDerWaalsContact O-CG2 3.31Å; T306-I311 WeakPolarHBondContact O-CG2 3.47Å; Y308-I311 WeakPolarHBondContact O-CB 3.31Å; Y308-I311 WeakPolarHBondContact O-CG2 3.1Å; Y308-I311 PolarHBondContact O-N 3.14Å; P309-I311 VanDerWaalsContact C-N 3.32Å; P309-I311 PolarHBondContact O-N 2.87Å; I311-R314 PolarHBondContact O-N 2.96Å; I311-M315 HydrophobicContact CG1-CG 4.35Å; I311-M315 WeakPolarHBondContact O-CB 3.4Å; I311-M315 VanDerWaalsContact O-CG 3.26Å; I311-M315 WeakPolarHBondContact O-CG 3.46Å; I311-M315 PolarHBondContact O-N 3.23Å
312A98.6Very high98.3Very high25 Ų2538.3 Ų38.321%0.20724%0.235CC..Hα-helixtrans-65.9-42.9179.700000111.3L301 G310 M315 Q316 I331 A333L301-A312 HydrophobicContact CD1-CB 4.28Å; G310-A312 VanDerWaalsContact C-N 3.33Å; G310-A312 PolarHBondContact O-N 3.5Å; A312-M315 PolarHBondContact O-N 3.31Å; A312-Q316 VanDerWaalsContact O-CB 3.28Å; A312-Q316 WeakPolarHBondContact O-CB 3.33Å; A312-Q316 PolarHBondContact O-N 3.24Å; A312-I331 HydrophobicContact CB-CG2 4.06Å; A312-A333 HydrophobicContact CB-CB 3.98Å
313D98.6Very high98.2Very high107 Ų10738.8 Ų38.857%0.57224%0.24SC*.Hα-helixtrans-67.8-41.3178.7-59.4-41.4000111.5L223 G310 Q316 K317L223-D313 HydrophobicContact CD1-CB 4.2Å; G310-D313 PolarHBondContact O-N 3.41Å; D313-Q316 WeakPolarHBondContact O-CB 3.21Å; D313-Q316 PolarHBondContact O-N 2.81Å; D313-K317 PolarHBondContact O-N 3.18Å
314R98.7Very high98.1Very high13 Ų1341.3 Ų41.35%0.04926%0.255CS..Hα-helixtrans-63.1-48.8174.3-178.362.8177.6-75.3-8.2111.2V221 A222 L223 E261 F264 G310 I311 Q316 K317 E318V221-R314 HydrophobicContact CG1-CB 3.51Å; V221-R314 HydrophobicContact CG1-CG 3.71Å; A222-R314 WeakPolarHBondContact O-CD 3.45Å; A222-R314 PolarHBondContact O-NH1 3.49Å; L223-R314 WeakPolarHBondContact O-CD 3.11Å; E261-R314 IonicContact OE1-CZ 3.51Å; E261-R314 IonicContact OE1-NH1 3.07Å; E261-R314 IonicContact OE1-NH2 3.35Å; E261-R314 PolarHBondContact OE1-NH2 2.96Å; E261-R314 IonicContact OE2-CZ 2.77Å; E261-R314 IonicContact OE2-NH1 2.85Å; E261-R314 PolarHBondContact OE2-NH1 3.32Å; E261-R314 IonicContact OE2-NH2 3.63Å; F264-R314 HydrophobicContact CD1-CG 4.13Å; F264-R314 HydrophobicContact CE1-CB 4.4Å; F264-R314 HydrophobicContact CE1-CG 3.54Å; F264-R314 HydrophobicContact CE2-CG 3.98Å; F264-R314 HydrophobicContact CZ-CB 4.02Å; F264-R314 HydrophobicContact CZ-CG 3.45Å; F264-R314 VanDerWaalsContact CZ-CG 3.45Å; G310-R314 PolarHBondContact O-N 3.03Å; I311-R314 PolarHBondContact O-N 2.96Å; R314-Q316 VanDerWaalsContact C-N 3.27Å; R314-Q316 PolarHBondContact O-N 3.4Å; R314-K317 PolarHBondContact O-N 2.95Å; R314-E318 HydrophobicContact CG-CG 4.3Å; R314-E318 IonicContact CZ-OE1 2.75Å; R314-E318 IonicContact NE-OE1 2.82Å; R314-E318 PolarHBondContact NE-OE1 3.26Å; R314-E318 IonicContact NH2-OE1 3.85Å; R314-E318 PolarHBondContact NH2-OE1 3.34Å; R314-E318 VanDerWaalsContact O-CG 3.3Å; R314-E318 WeakPolarHBondContact O-CG 3.42Å; R314-E318 PolarHBondContact O-N 3.47Å
315M98.5Very high97.9Very high2 Ų245.2 Ų45.21%0.0128%0.275CS..Hα-helixtrans-58.5-39.5175-75.6-65.9-62.500112L155 F264 I276 H277 A280 I311 A312 E318 I319 I331L155-M315 HydrophobicContact CD2-CE 3.9Å; L155-M315 HydrophobicContact CD2-SD 4.28Å; F264-M315 HydrophobicContact CE1-CG 4.28Å; F264-M315 HydrophobicContact CE1-SD 3.72Å; F264-M315 HydrophobicContact CZ-CG 4.25Å; F264-M315 HydrophobicContact CZ-SD 4.13Å; I276-M315 HydrophobicContact CD1-SD 3.76Å; I276-M315 HydrophobicContact CG1-SD 3.84Å; H277-M315 HydrophobicContact CB-CE 4.38Å; H277-M315 HydrophobicContact CB-SD 3.94Å; A280-M315 HydrophobicContact CB-CE 4.22Å; I311-M315 HydrophobicContact CG1-CG 4.35Å; I311-M315 WeakPolarHBondContact O-CB 3.4Å; I311-M315 VanDerWaalsContact O-CG 3.26Å; I311-M315 WeakPolarHBondContact O-CG 3.46Å; I311-M315 PolarHBondContact O-N 3.23Å; A312-M315 PolarHBondContact O-N 3.31Å; M315-E318 PolarHBondContact O-N 3.46Å; M315-I319 HydrophobicContact CE-CD1 3.79Å; M315-I319 HydrophobicContact CE-CG1 4.23Å; M315-I319 WeakPolarHBondContact O-CB 3.1Å; M315-I319 WeakPolarHBondContact O-CG1 3.41Å; M315-I319 PolarHBondContact O-N 2.86Å; M315-I331 HydrophobicContact CB-CD1 4.2Å; M315-I331 HydrophobicContact CB-CG1 4.11Å; M315-I331 HydrophobicContact CB-CG2 4.45Å
316Q98.6Very high97.7Very high57 Ų5750.7 Ų50.727%0.26631%0.309SS..Hα-helixtrans-61.8-46.9176.6-177.171.858.900110.8A312 D313 R314 T320 I329 I331A312-Q316 VanDerWaalsContact O-CB 3.28Å; A312-Q316 WeakPolarHBondContact O-CB 3.33Å; A312-Q316 PolarHBondContact O-N 3.24Å; D313-Q316 WeakPolarHBondContact O-CB 3.21Å; D313-Q316 PolarHBondContact O-N 2.81Å; R314-Q316 VanDerWaalsContact C-N 3.27Å; R314-Q316 PolarHBondContact O-N 3.4Å; Q316-T320 PolarHBondContact NE2-OG1 3.12Å; Q316-T320 WeakPolarHBondContact O-CB 3.27Å; Q316-T320 PolarHBondContact O-N 3.4Å; Q316-T320 VanDerWaalsContact O-N 3.11Å; Q316-T320 PolarHBondContact O-OG1 3.18Å; Q316-I329 PolarHBondContact NE2-O 2.82Å; Q316-I331 HydrophobicContact CB-CG1 3.77Å; Q316-I331 VanDerWaalsContact OE1-N 3.09Å
317K98.4Very high97.5Very high86 Ų8653.3 Ų53.337%0.37432%0.321SS..Hα-helixtrans-60-51175.4178.6-178.4170.3-174.40111.4L223 D224 D313 R314 T320 A321L223-K317 HydrophobicContact CD1-CB 4.01Å; L223-K317 HydrophobicContact CD1-CD 3.81Å; L223-K317 HydrophobicContact CG-CD 4.1Å; L223-K317 WeakPolarHBondContact O-CD 3.5Å; L223-K317 PolarHBondContact O-NZ 3.13Å; D224-K317 IonicContact OD2-NZ 3.12Å; D224-K317 PolarHBondContact OD2-NZ 3.13Å; D224-K317 VanDerWaalsContact OD2-NZ 3.12Å; D313-K317 PolarHBondContact O-N 3.18Å; R314-K317 PolarHBondContact O-N 2.95Å; K317-T320 PolarHBondContact O-N 3.33Å; K317-A321 PolarHBondContact O-N 3.3Å; K317-A321 VanDerWaalsContact O-N 3.09Å
318E98.5Very high97.5Very high39 Ų3957.9 Ų57.918%0.18234%0.339CS..Hα-helixtrans-64.5-49.7-175.8-66.1-66.917800112.4F264 H277 R314 M315 T320 A321 L322F264-E318 HydrophobicContact CD1-CG 4.19Å; F264-E318 HydrophobicContact CE1-CG 4.23Å; H277-E318 HydrophobicContact CB-CB 3.6Å; H277-E318 HydrophobicContact CB-CG 4.12Å; H277-E318 IonicContact CD2-OE2 3.73Å; R314-E318 HydrophobicContact CG-CG 4.3Å; R314-E318 IonicContact CZ-OE1 2.75Å; R314-E318 IonicContact NE-OE1 2.82Å; R314-E318 PolarHBondContact NE-OE1 3.26Å; R314-E318 IonicContact NH2-OE1 3.85Å; R314-E318 PolarHBondContact NH2-OE1 3.34Å; R314-E318 VanDerWaalsContact O-CG 3.3Å; R314-E318 WeakPolarHBondContact O-CG 3.42Å; R314-E318 PolarHBondContact O-N 3.47Å; M315-E318 PolarHBondContact O-N 3.46Å; E318-T320 VanDerWaalsContact C-N 3.3Å; E318-T320 PolarHBondContact O-N 3Å; E318-A321 PolarHBondContact O-N 3.03Å; E318-A321 VanDerWaalsContact O-N 3.17Å; E318-L322 WeakPolarHBondContact O-CG 3.27Å; E318-L322 PolarHBondContact O-N 3.28Å; E318-L322 VanDerWaalsContact O-N 3.16Å
319I98.1Very high97.4Very high0 Ų058 Ų580%034%0.341CS..Hα-helixtrans-65.2-36.6179.3-63.8-172.7000110.8A280 Y296 M315 A321 L322 A323 I329 I331A280-I319 HydrophobicContact CB-CD1 4.13Å; Y296-I319 HydrophobicContact CD1-CG2 3.97Å; Y296-I319 HydrophobicContact CE1-CG2 3.87Å; M315-I319 HydrophobicContact CE-CD1 3.79Å; M315-I319 HydrophobicContact CE-CG1 4.23Å; M315-I319 WeakPolarHBondContact O-CB 3.1Å; M315-I319 WeakPolarHBondContact O-CG1 3.41Å; M315-I319 PolarHBondContact O-N 2.86Å; I319-A321 VanDerWaalsContact C-N 3.28Å; I319-A321 PolarHBondContact O-N 3.21Å; I319-L322 PolarHBondContact O-N 3.47Å; I319-A323 WeakPolarHBondContact O-CB 3.41Å; I319-A323 PolarHBondContact O-N 3.32Å; I319-I329 HydrophobicContact CB-CG2 3.97Å; I319-I329 HydrophobicContact CG2-CD1 4.09Å; I319-I329 HydrophobicContact CG2-CG1 4.21Å; I319-I329 HydrophobicContact CG2-CG2 3.6Å; I319-I331 HydrophobicContact CD1-CD1 3.94Å
320T98.2Very high97.4Very high73 Ų7358.5 Ų58.545%0.44834%0.335SS..Hα-helixtrans-63.8-34.3176.7-57.50000111.9Q316 K317 E318Q316-T320 PolarHBondContact NE2-OG1 3.12Å; Q316-T320 WeakPolarHBondContact O-CB 3.27Å; Q316-T320 PolarHBondContact O-N 3.4Å; Q316-T320 VanDerWaalsContact O-N 3.11Å; Q316-T320 PolarHBondContact O-OG1 3.18Å; K317-T320 PolarHBondContact O-N 3.33Å; E318-T320 VanDerWaalsContact C-N 3.3Å; E318-T320 PolarHBondContact O-N 3Å
321A97.9Very high97.4Very high83 Ų8358.2 Ų58.269%0.68633%0.326SS*.Hα-helixtrans-71.5-32.6176.400000112.9K317 E318 I319K317-A321 PolarHBondContact O-N 3.3Å; K317-A321 VanDerWaalsContact O-N 3.09Å; E318-A321 PolarHBondContact O-N 3.03Å; E318-A321 VanDerWaalsContact O-N 3.17Å; I319-A321 VanDerWaalsContact C-N 3.28Å; I319-A321 PolarHBondContact O-N 3.21Å
322L97.4Very high97.4Very high66 Ų6659.2 Ų59.235%0.34633%0.331SS..Hα-helixtrans-85.1-33.5-180-65.6174.1000113.5E278 Y281 E318 I319E278-L322 HydrophobicContact CG-CD1 4.38Å; Y281-L322 HydrophobicContact CD2-CB 3.64Å; Y281-L322 HydrophobicContact CE2-CB 3.95Å; Y281-L322 WeakPolarHBondContact CE2-O 3.35Å; Y281-L322 HydrophobicContact CG-CB 4.01Å; Y281-L322 HydrophobicContact CG-CD1 4.18Å; E318-L322 WeakPolarHBondContact O-CG 3.27Å; E318-L322 PolarHBondContact O-N 3.28Å; E318-L322 VanDerWaalsContact O-N 3.16Å; I319-L322 PolarHBondContact O-N 3.47Å
323A96.1Very high97.4Very high11 Ų1159.7 Ų59.79%0.09134%0.335CS..SBendtrans-77.1154.1-175.100000112.8Y296 I319 S325 I329Y296-A323 HydrophobicContact CD1-CB 4.39Å; Y296-A323 HydrophobicContact CE1-CB 3.78Å; Y296-A323 HydrophobicContact CE2-CB 4.37Å; I319-A323 WeakPolarHBondContact O-CB 3.41Å; I319-A323 PolarHBondContact O-N 3.32Å; A323-S325 PolarHBondContact O-N 3.5Å; A323-I329 HydrophobicContact CB-CD1 3.63Å; A323-I329 HydrophobicContact CB-CG1 4.23Å
324P94.8Very high97.3Very high60 Ų6055.3 Ų55.339%0.3931%0.313SS..  trans-56.4138170.4-22.633.1000111.3T326 M327P324-T326 PolarHBondContact O-N 2.87Å; P324-M327 HydrophobicContact CB-CG 4.25Å; P324-M327 HydrophobicContact CG-CG 4.37Å; P324-M327 WeakPolarHBondContact O-CB 3.26Å; P324-M327 PolarHBondContact O-N 2.96Å
325S93.6Very high97.2Very high126 Ų12659.4 Ų59.488%0.88134%0.341SS*.THydrogen-bonded Turntrans-61.3-15.4-175.657.60000115A323 M327A323-S325 PolarHBondContact O-N 3.5Å; S325-M327 VanDerWaalsContact C-N 3.34Å
326T94.4Very high97Very high124 Ų12463.6 Ų63.676%0.76136%0.36SS*.THydrogen-bonded Turntrans-80.2-14.1174.654.10000113.4P324P324-T326 PolarHBondContact O-N 2.87Å
327M95.4Very high97Very high54 Ų5462.1 Ų62.127%0.26635%0.352SS..SBendtrans-84136.7-179.4-65.1-60.3-17800111.2K293 Y296 P324 S325 I329K293-M327 HydrophobicContact CB-SD 4.19Å; K293-M327 HydrophobicContact CG-SD 4.47Å; Y296-M327 HydrophobicContact CD2-CB 3.99Å; Y296-M327 HydrophobicContact CD2-CG 3.74Å; Y296-M327 HydrophobicContact CD2-SD 4.09Å; Y296-M327 HydrophobicContact CE2-CB 4.45Å; Y296-M327 HydrophobicContact CE2-CG 3.95Å; Y296-M327 HydrophobicContact CG-CB 4.42Å; P324-M327 HydrophobicContact CB-CG 4.25Å; P324-M327 HydrophobicContact CG-CG 4.37Å; P324-M327 WeakPolarHBondContact O-CB 3.26Å; P324-M327 PolarHBondContact O-N 2.96Å; S325-M327 VanDerWaalsContact C-N 3.34Å; M327-I329 HydrophobicContact CB-CD1 3.96Å
328K96.4Very high96.9Very high162 Ų16262.5 Ų62.570%0.70435%0.354SS*.  trans-89.8109.7170.8-176.1179.5-179.9178.80109.2Y296Y296-K328 CarbonylContact C-O 3.51Å
329I98.1Very high96.8Very high17 Ų1763.2 Ų63.29%0.08736%0.355CS..  trans-87.9133.1178.5-48.6-48000109.5Y296 Q316 I319 A323 M327 I331Y296-I329 HydrophobicContact CD1-CD1 3.38Å; Y296-I329 HydrophobicContact CD2-CD1 4.37Å; Y296-I329 HydrophobicContact CE1-CD1 4.05Å; Y296-I329 HydrophobicContact CG-CD1 3.57Å; Q316-I329 PolarHBondContact NE2-O 2.82Å; I319-I329 HydrophobicContact CB-CG2 3.97Å; I319-I329 HydrophobicContact CG2-CD1 4.09Å; I319-I329 HydrophobicContact CG2-CG1 4.21Å; I319-I329 HydrophobicContact CG2-CG2 3.6Å; A323-I329 HydrophobicContact CB-CD1 3.63Å; A323-I329 HydrophobicContact CB-CG1 4.23Å; M327-I329 HydrophobicContact CB-CD1 3.96Å; I329-I331 HydrophobicContact CG2-CD1 4.33Å
330K98.3Very high96.8Very high94 Ų9463.3 Ų63.341%0.40936%0.356SS..  trans-140.2116.5173.6-177.5-173.3-179.2-174.80110.6Y296 A297 N299 I332Y296-K330 PolarHBondContact O-N 2.83Å; A297-K330 WeakPolarHBondContact O-CB 3.31Å; N299-K330 WeakPolarHBondContact CB-O 3.32Å; N299-K330 PolarHBondContact N-O 3.11Å; N299-K330 VanDerWaalsContact N-O 3.14Å; K330-I332 HydrophobicContact CD-CD1 4.46Å; K330-I332 HydrophobicContact CD-CG1 4.24Å; K330-I332 HydrophobicContact CG-CG1 4.19Å
331I98.5Very high96.8Very high22 Ų2260.2 Ų60.211%0.11334%0.337CS..EExtended strand (participates in β ladder)trans-89.3133.3169.3-48.2-53.3000109.7N299 L301 A312 M315 Q316 I319 I329N299-I331 HydrophobicContact CB-CD1 3.64Å; N299-I331 CarbonylContact O-C 3.47Å; L301-I331 HydrophobicContact CD1-CG2 3.86Å; L301-I331 HydrophobicContact CD2-CG2 4.09Å; L301-I331 HydrophobicContact CG-CG2 3.82Å; A312-I331 HydrophobicContact CB-CG2 4.06Å; M315-I331 HydrophobicContact CB-CD1 4.2Å; M315-I331 HydrophobicContact CB-CG1 4.11Å; M315-I331 HydrophobicContact CB-CG2 4.45Å; Q316-I331 HydrophobicContact CB-CG1 3.77Å; Q316-I331 VanDerWaalsContact OE1-N 3.09Å; I319-I331 HydrophobicContact CD1-CD1 3.94Å; I329-I331 HydrophobicContact CG2-CD1 4.33Å
332I98.4Very high96.8Very high22 Ų2256.2 Ų56.211%0.11330%0.304CS..EExtended strand (participates in β ladder)trans-120.9112.9-178.5-59.8154000107N299 V300 L301 K330 P334N299-I332 PolarHBondContact O-N 3.36Å; V300-I332 CarbonylContact C-O 3.56Å; V300-I332 WeakPolarHBondContact CA-O 3.42Å; V300-I332 HydrophobicContact CG2-CB 4.23Å; V300-I332 HydrophobicContact CG2-CD1 4.02Å; V300-I332 HydrophobicContact CG2-CG2 4.47Å; L301-I332 PolarHBondContact N-O 3.14Å; K330-I332 HydrophobicContact CD-CD1 4.46Å; K330-I332 HydrophobicContact CD-CG1 4.24Å; K330-I332 HydrophobicContact CG-CG1 4.19Å; I332-P334 HydrophobicContact CG2-CG 4.39Å; I332-P334 WeakPolarHBondContact O-CD 3.09Å
333A98.1Very high96.9Very high35 Ų3554.4 Ų54.429%0.28929%0.294SS..  trans-121.986.9179.900000109.7L301 A312L301-A333 HydrophobicContact CB-CB 4.32Å; L301-A333 HydrophobicContact CD1-CB 3.94Å; L301-A333 HydrophobicContact CG-CB 4.29Å; A312-A333 HydrophobicContact CB-CB 3.98Å
334P97.2Very high97Very high16 Ų1653.9 Ų53.910%0.10429%0.29CS..  trans-56.6144.3176.5-22.533.8000111.1I332 E336 R337I332-P334 HydrophobicContact CG2-CG 4.39Å; I332-P334 WeakPolarHBondContact O-CD 3.09Å; P334-E336 VanDerWaalsContact C-N 3.29Å; P334-E336 PolarHBondContact O-N 2.77Å; P334-R337 HydrophobicContact CB-CB 4.32Å; P334-R337 WeakPolarHBondContact O-CB 3.5Å; P334-R337 VanDerWaalsContact O-CD 3.28Å; P334-R337 WeakPolarHBondContact O-CD 3.28Å; P334-R337 WeakPolarHBondContact O-CG 3.31Å; P334-R337 PolarHBondContact O-N 3.49Å; P334-R337 PolarHBondContact O-NH1 3.07Å
335P96.5Very high97.1Very high98 Ų9851 Ų5164%0.63627%0.272SS*.THydrogen-bonded Turntrans-63.7-36.1-179.710.9-12.1000112.4R337P335-R337 VanDerWaalsContact C-N 3.25Å; P335-R337 PolarHBondContact O-N 2.88Å
336E94.8Very high97.3Very high90 Ų9045.1 Ų45.142%0.42123%0.231SC..THydrogen-bonded Turntrans-83.213.4177.361.3-73.3160.200114.2P334 K338 Y339 S340 I343P334-E336 VanDerWaalsContact C-N 3.29Å; P334-E336 PolarHBondContact O-N 2.77Å; E336-K338 PolarHBondContact O-N 2.93Å; E336-Y339 PolarHBondContact O-N 3.46Å; E336-S340 PolarHBondContact O-N 2.91Å; E336-I343 HydrophobicContact CB-CD1 4.05Å; E336-I343 HydrophobicContact CG-CD1 3.64Å
337R97.1Very high97.4Very high27 Ų2742.8 Ų42.810%0.10221%0.212CC..THydrogen-bonded Turntrans-59.4-16.4-173.467.9-171.9173.2-79.31.5116.7L301 G303 T306 M307 P334 P335 Y339 S340L301-R337 WeakPolarHBondContact O-CB 3.19Å; G303-R337 PolarHBondContact N-O 3.35Å; T306-R337 PolarHBondContact O-NE 2.85Å; T306-R337 PolarHBondContact O-NH2 2.75Å; T306-R337 WeakPolarHBondContact OG1-CD 3.27Å; M307-R337 HydrophobicContact SD-CG 3.41Å; M307-R337 WeakPolarHBondContact SD-CG 3.38Å; P334-R337 HydrophobicContact CB-CB 4.32Å; P334-R337 WeakPolarHBondContact O-CB 3.5Å; P334-R337 VanDerWaalsContact O-CD 3.28Å; P334-R337 WeakPolarHBondContact O-CD 3.28Å; P334-R337 WeakPolarHBondContact O-CG 3.31Å; P334-R337 PolarHBondContact O-N 3.49Å; P334-R337 PolarHBondContact O-NH1 3.07Å; P335-R337 VanDerWaalsContact C-N 3.25Å; P335-R337 PolarHBondContact O-N 2.88Å; R337-Y339 PolarHBondContact O-N 3.47Å; R337-S340 WeakPolarHBondContact CA-OG 3.21Å; R337-S340 PolarHBondContact O-N 2.76Å
338K96.3Very high97.3Very high94 Ų9441.5 Ų41.541%0.40921%0.207SC..THydrogen-bonded Turntrans-61.8-22.2167.660.4167.7176.9166.30113.5M307 E336M307-K338 HydrophobicContact CG-CB 4.23Å; M307-K338 HydrophobicContact SD-CB 4.18Å; E336-K338 PolarHBondContact O-N 2.93Å
339Y97.8Very high97.3Very high53 Ų5334 Ų3421%0.20818%0.175CC..SBendtrans-121.26-178.6-54.2-34.1000113.1K20 P29 V32 E336 R337 V341 W342 I343K20-Y339 HydrophobicContact CG-CD1 4.2Å; K20-Y339 HydrophobicContact CG-CE1 4.43Å; P29-Y339 HydrophobicContact CG-CD1 4.17Å; P29-Y339 HydrophobicContact CG-CD2 4.24Å; P29-Y339 HydrophobicContact CG-CE1 4.41Å; P29-Y339 HydrophobicContact CG-CE2 4.41Å; P29-Y339 HydrophobicContact CG-CG 4.11Å; V32-Y339 HydrophobicContact CG2-CE1 4.23Å; E336-Y339 PolarHBondContact O-N 3.46Å; R337-Y339 PolarHBondContact O-N 3.47Å; Y339-V341 PolarHBondContact O-N 3.18Å; Y339-V341 VanDerWaalsContact O-N 3.16Å; Y339-W342 PolarHBondContact O-N 3.33Å; Y339-I343 WeakPolarHBondContact O-CG1 3.44Å; Y339-I343 PolarHBondContact O-N 3.38Å
340S97.9Very high97Very high2 Ų236.3 Ų36.31%0.01419%0.193CC..Hα-helixtrans-54.2-38.7-176.7-80.80000113.7A146 E336 R337 I343 G344A146-S340 VanDerWaalsContact CB-O 3.31Å; A146-S340 WeakPolarHBondContact CB-O 3.13Å; E336-S340 PolarHBondContact O-N 2.91Å; R337-S340 WeakPolarHBondContact CA-OG 3.21Å; R337-S340 PolarHBondContact O-N 2.76Å; S340-I343 PolarHBondContact O-N 3.4Å; S340-G344 PolarHBondContact O-N 3.11Å
341V98.1Very high96.6Very high8 Ų835.4 Ų35.45%0.04819%0.192CC..Hα-helixtrans-56.1-52.4173.9176.60000110.9D13 T108 Q139 L142 S143 Y339 G344 G345D13-V341 HydrophobicContact CB-CG1 4.3Å; D13-V341 WeakPolarHBondContact OD1-CG1 3.43Å; T108-V341 HydrophobicContact CG2-CG1 3.86Å; Q139-V341 HydrophobicContact CB-CG1 3.94Å; Q139-V341 HydrophobicContact CB-CG2 3.99Å; Q139-V341 HydrophobicContact CG-CG1 3.86Å; L142-V341 WeakPolarHBondContact CB-O 3.19Å; L142-V341 HydrophobicContact CD1-CG1 4.24Å; L142-V341 WeakPolarHBondContact CD1-O 3.3Å; S143-V341 WeakPolarHBondContact OG-CG2 3.49Å; Y339-V341 PolarHBondContact O-N 3.18Å; Y339-V341 VanDerWaalsContact O-N 3.16Å; V341-G344 PolarHBondContact O-N 3.34Å; V341-G345 PolarHBondContact O-N 2.87Å; V341-G345 VanDerWaalsContact O-N 3.08Å
342W98.6Very high96.1Very high0 Ų039.1 Ų39.10%022%0.22CC..Hα-helixtrans-67-42.9-177.4-175.391000111.4V11 D13 K20 D26 A28 P29 Y339 G344 G345 S346V11-W342 HydrophobicContact CB-CZ2 4.43Å; V11-W342 HydrophobicContact CG1-CG 4.28Å; V11-W342 PolarHBondContact O-NE1 3.45Å; D13-W342 HydrophobicContact CB-CB 4.24Å; K20-W342 HydrophobicContact CB-CB 4.3Å; K20-W342 HydrophobicContact CB-CG 4.2Å; K20-W342 VanDerWaalsContact O-CD1 3.31Å; D26-W342 HydrophobicContact CB-CH2 3.86Å; D26-W342 WeakPolarHBondContact O-CH2 3.26Å; D26-W342 WeakPolarHBondContact O-CZ3 3.33Å; A28-W342 VanDerWaalsContact C-CH2 3.42Å; A28-W342 VanDerWaalsContact O-CH2 3.27Å; A28-W342 WeakPolarHBondContact O-CH2 3.45Å; A28-W342 WeakPolarHBondContact O-CZ3 3.42Å; P29-W342 HydrophobicContact CB-CD2 3.73Å; P29-W342 HydrophobicContact CB-CE3 4.2Å; P29-W342 HydrophobicContact CB-CG 4.01Å; P29-W342 HydrophobicContact CB-CZ2 4.36Å; P29-W342 HydrophobicContact CG-CD2 4.28Å; P29-W342 HydrophobicContact CG-CE3 4.41Å; P29-W342 HydrophobicContact CG-CG 4.49Å; Y339-W342 PolarHBondContact O-N 3.33Å; W342-G344 VanDerWaalsContact C-N 3.31Å; W342-G344 PolarHBondContact O-N 3.17Å; W342-G345 CarbonylContact O-C 3.35Å; W342-G345 WeakPolarHBondContact O-CA 3.44Å; W342-G345 PolarHBondContact O-N 3.16Å; W342-G345 VanDerWaalsContact O-N 3.09Å; W342-S346 PolarHBondContact O-N 2.92Å
343I98.4Very high95.5Very high27 Ų2743.4 Ų43.414%0.13825%0.247CC..Hα-helixtrans-60.1-43.5177-66.3168.9000110.4A146 E336 Y339 S340 G345 S346 I347A146-I343 HydrophobicContact CB-CB 4.31Å; A146-I343 HydrophobicContact CB-CG2 4.1Å; E336-I343 HydrophobicContact CB-CD1 4.05Å; E336-I343 HydrophobicContact CG-CD1 3.64Å; Y339-I343 WeakPolarHBondContact O-CG1 3.44Å; Y339-I343 PolarHBondContact O-N 3.38Å; S340-I343 PolarHBondContact O-N 3.4Å; I343-G345 VanDerWaalsContact C-N 3.29Å; I343-G345 PolarHBondContact O-N 3.09Å; I343-S346 WeakPolarHBondContact O-CB 3.28Å; I343-S346 PolarHBondContact O-N 2.99Å; I343-I347 HydrophobicContact CG2-CD1 3.91Å; I343-I347 WeakPolarHBondContact O-CG1 3.3Å; I343-I347 PolarHBondContact O-N 3.44Å
344G97.6Very high95Very high0 Ų042.2 Ų42.20%024%0.235CC..Hα-helixtrans-61.4-38.3175.400000112.8L142 S340 V341 W342 L348L142-G344 WeakPolarHBondContact O-CA 3.15Å; S340-G344 PolarHBondContact O-N 3.11Å; V341-G344 PolarHBondContact O-N 3.34Å; W342-G344 VanDerWaalsContact C-N 3.31Å; W342-G344 PolarHBondContact O-N 3.17Å; G344-L348 VanDerWaalsContact O-CB 3.24Å; G344-L348 WeakPolarHBondContact O-CB 3.39Å; G344-L348 PolarHBondContact O-N 2.95Å
345G97.6Very high94.4Very high0 Ų045.1 Ų45.10%025%0.248CC..Hα-helixtrans-65.6-42.5172.800000112.9V341 W342 I343 L348 A349V341-G345 PolarHBondContact O-N 2.87Å; V341-G345 VanDerWaalsContact O-N 3.08Å; W342-G345 CarbonylContact O-C 3.35Å; W342-G345 WeakPolarHBondContact O-CA 3.44Å; W342-G345 PolarHBondContact O-N 3.16Å; W342-G345 VanDerWaalsContact O-N 3.09Å; I343-G345 VanDerWaalsContact C-N 3.29Å; I343-G345 PolarHBondContact O-N 3.09Å; G345-L348 PolarHBondContact O-N 2.62Å; G345-A349 VanDerWaalsContact O-CB 3.23Å; G345-A349 WeakPolarHBondContact O-CB 3.44Å; G345-A349 PolarHBondContact O-N 3.49Å
346S97.8Very high93.9Very high3 Ų344.3 Ų44.32%0.02125%0.249CC..Hα-helixtrans-60.1-46.6176-1780000111.5G25 D26 W342 I343 S350G25-S346 PolarHBondContact N-O 3.03Å; G25-S346 PolarHBondContact N-OG 3.34Å; D26-S346 PolarHBondContact N-OG 2.9Å; D26-S346 PolarHBondContact O-OG 2.89Å; W342-S346 PolarHBondContact O-N 2.92Å; I343-S346 WeakPolarHBondContact O-CB 3.28Å; I343-S346 PolarHBondContact O-N 2.99Å; S346-S350 WeakPolarHBondContact O-CB 3.32Å; S346-S350 PolarHBondContact O-N 2.81Å; S346-S350 PolarHBondContact O-OG 2.82Å
347I95.6Very high93.8Very high74 Ų7443.7 Ų43.738%0.37925%0.247SC..Hα-helixtrans-61.9-55.2175.1-66165.6000109.7I343 A349 S350 L351I343-I347 HydrophobicContact CG2-CD1 3.91Å; I343-I347 WeakPolarHBondContact O-CG1 3.3Å; I343-I347 PolarHBondContact O-N 3.44Å; I347-A349 PolarHBondContact O-N 3.12Å; I347-S350 PolarHBondContact O-N 3.32Å; I347-S350 VanDerWaalsContact O-N 3.07Å; I347-S350 PolarHBondContact O-OG 2.81Å; I347-L351 WeakPolarHBondContact O-CG 3.49Å; I347-L351 PolarHBondContact O-N 2.81Å
348L94.5Very high93.8Very high27 Ų2742.9 Ų42.914%0.14124%0.244CC..Hα-helixtrans-58-46.9-175.3-177.565000112.3L106 L142 G344 G345 S350 L351 F354L106-L348 HydrophobicContact CD1-CD2 4.23Å; L142-L348 HydrophobicContact CD2-CB 4.36Å; L142-L348 HydrophobicContact CD2-CD2 3.65Å; G344-L348 VanDerWaalsContact O-CB 3.24Å; G344-L348 WeakPolarHBondContact O-CB 3.39Å; G344-L348 PolarHBondContact O-N 2.95Å; G345-L348 PolarHBondContact O-N 2.62Å; L348-S350 PolarHBondContact O-N 2.82Å; L348-L351 HydrophobicContact CD1-CD1 4.43Å; L348-L351 PolarHBondContact O-N 2.84Å; L348-F354 HydrophobicContact CD1-CD2 3.65Å; L348-F354 HydrophobicContact CD1-CE2 3.99Å; L348-F354 HydrophobicContact CD1-CG 4.32Å; L348-F354 HydrophobicContact CD2-CD2 4.19Å; L348-F354 HydrophobicContact CD2-CE2 3.66Å; L348-F354 HydrophobicContact CD2-CZ 4.07Å; L348-F354 HydrophobicContact CG-CD2 3.64Å; L348-F354 HydrophobicContact CG-CE2 3.61Å; L348-F354 HydrophobicContact CG-CG 4.16Å; L348-F354 HydrophobicContact CG-CZ 4.09Å; L348-F354 WeakPolarHBondContact O-CB 3.22Å; L348-F354 WeakPolarHBondContact O-CG 3.41Å
349A95.3Very high93.8Very high4 Ų438.4 Ų38.43%0.03322%0.224CC..Hα-helixtrans-69.4-17-179.700000113.7A9 V11 A24 L106 G345 I347 W358A9-A349 HydrophobicContact CB-CB 4.17Å; V11-A349 HydrophobicContact CG2-CB 4.13Å; A24-A349 HydrophobicContact CB-CB 3.66Å; L106-A349 HydrophobicContact CB-CB 4.47Å; L106-A349 HydrophobicContact CD1-CB 4.07Å; G345-A349 VanDerWaalsContact O-CB 3.23Å; G345-A349 WeakPolarHBondContact O-CB 3.44Å; G345-A349 PolarHBondContact O-N 3.49Å; I347-A349 PolarHBondContact O-N 3.12Å; A349-W358 HydrophobicContact CB-CH2 4.41Å; A349-W358 HydrophobicContact CB-CZ2 4.2Å
350S92.9Very high93.8Very high67 Ų6738.4 Ų38.447%0.46923%0.23SC..Hα-helixtrans-89.4-8.1176.8730000113.8S346 I347 L348S346-S350 WeakPolarHBondContact O-CB 3.32Å; S346-S350 PolarHBondContact O-N 2.81Å; S346-S350 PolarHBondContact O-OG 2.82Å; I347-S350 PolarHBondContact O-N 3.32Å; I347-S350 VanDerWaalsContact O-N 3.07Å; I347-S350 PolarHBondContact O-OG 2.81Å; L348-S350 PolarHBondContact O-N 2.82Å
351L90.4Very high93.8Very high75 Ų7541.2 Ų41.239%0.39324%0.242SC..  trans-78129.8179.9-62.6178.1000111.4I347 L348 T353 F354I347-L351 WeakPolarHBondContact O-CG 3.49Å; I347-L351 PolarHBondContact O-N 2.81Å; L348-L351 HydrophobicContact CD1-CD1 4.43Å; L348-L351 PolarHBondContact O-N 2.84Å; L351-T353 PolarHBondContact O-N 2.94Å; L351-F354 HydrophobicContact CB-CB 4.17Å; L351-F354 VanDerWaalsContact O-CB 3.23Å; L351-F354 WeakPolarHBondContact O-CB 3.26Å; L351-F354 PolarHBondContact O-N 3.2Å
352S86.3Confident93.7Very high99 Ų9947 Ų4769%0.69227%0.269SS*.G310 helixtrans-59.4-32.1175.157.40000113.3F354 Q355S352-F354 PolarHBondContact O-N 2.8Å; S352-Q355 WeakPolarHBondContact O-CB 3.29Å; S352-Q355 PolarHBondContact O-N 2.9Å
353T86.9Confident93.7Very high112 Ų11249.6 Ų49.669%0.68728%0.281SS*.G310 helixtrans-68.4-20.217550.90000113.3L351 Q355L351-T353 PolarHBondContact O-N 2.94Å; T353-Q355 VanDerWaalsContact C-N 3.3Å
354F87.9Confident93.7Very high10 Ų1048.7 Ų48.74%0.04428%0.276CS..G310 helixtrans-77.5-17.1178.2-170.6-109.5000112.6L106 Y135 L348 L351 S352 A356 M357 W358L106-F354 HydrophobicContact CD1-CE1 4.15Å; L106-F354 HydrophobicContact CD1-CZ 4.01Å; Y135-F354 HydrophobicContact CD1-CE2 4.08Å; Y135-F354 AromaticContact CD1-CZ 3.54Å; Y135-F354 HydrophobicContact CD1-CZ 3.54Å; Y135-F354 HydrophobicContact CD2-CE2 4.32Å; Y135-F354 AromaticContact CD2-CZ 3.97Å; Y135-F354 HydrophobicContact CD2-CZ 3.97Å; Y135-F354 HydrophobicContact CE1-CE2 4.1Å; Y135-F354 HydrophobicContact CE1-CZ 4.04Å; Y135-F354 HydrophobicContact CE2-CE2 4.34Å; Y135-F354 HydrophobicContact CE2-CZ 4.43Å; Y135-F354 HydrophobicContact CG-CE1 4.41Å; Y135-F354 HydrophobicContact CG-CE2 4.18Å; Y135-F354 AromaticContact CG-CZ 3.49Å; Y135-F354 HydrophobicContact CG-CZ 3.49Å; Y135-F354 VanDerWaalsContact CG-CZ 3.49Å; L348-F354 HydrophobicContact CD1-CD2 3.65Å; L348-F354 HydrophobicContact CD1-CE2 3.99Å; L348-F354 HydrophobicContact CD1-CG 4.32Å; L348-F354 HydrophobicContact CD2-CD2 4.19Å; L348-F354 HydrophobicContact CD2-CE2 3.66Å; L348-F354 HydrophobicContact CD2-CZ 4.07Å; L348-F354 HydrophobicContact CG-CD2 3.64Å; L348-F354 HydrophobicContact CG-CE2 3.61Å; L348-F354 HydrophobicContact CG-CG 4.16Å; L348-F354 HydrophobicContact CG-CZ 4.09Å; L348-F354 WeakPolarHBondContact O-CB 3.22Å; L348-F354 WeakPolarHBondContact O-CG 3.41Å; L351-F354 HydrophobicContact CB-CB 4.17Å; L351-F354 VanDerWaalsContact O-CB 3.23Å; L351-F354 WeakPolarHBondContact O-CB 3.26Å; L351-F354 PolarHBondContact O-N 3.2Å; S352-F354 PolarHBondContact O-N 2.8Å; F354-A356 PolarHBondContact O-N 3.23Å; F354-A356 VanDerWaalsContact O-N 3.09Å; F354-M357 HydrophobicContact CD2-CB 3.84Å; F354-M357 HydrophobicContact CD2-CG 4.06Å; F354-M357 HydrophobicContact CE2-CB 3.82Å; F354-M357 HydrophobicContact CE2-CG 4.35Å; F354-M357 HydrophobicContact CG-CB 4.48Å; F354-M357 HydrophobicContact CZ-CB 4.45Å; F354-M357 WeakPolarHBondContact O-CB 3.2Å; F354-M357 PolarHBondContact O-N 3.15Å; F354-W358 HydrophobicContact CD1-CD2 4.43Å; F354-W358 AromaticContact CD1-CE2 3.78Å; F354-W358 AromaticContact CD1-CZ2 3.91Å; F354-W358 HydrophobicContact CD1-CZ2 3.91Å; F354-W358 AromaticContact CD1-NE1 3.86Å; F354-W358 HydrophobicContact CE1-CD2 4.01Å; F354-W358 AromaticContact CE1-CE2 3.63Å; F354-W358 HydrophobicContact CE1-CE3 4.3Å; F354-W358 AromaticContact CE1-CH2 3.94Å; F354-W358 HydrophobicContact CE1-CH2 3.94Å; F354-W358 AromaticContact CE1-CZ2 3.6Å; F354-W358 HydrophobicContact CE1-CZ2 3.6Å; F354-W358 HydrophobicContact CE1-CZ3 4.27Å
355Q84.1Confident93.7Very high78 Ų7853.6 Ų53.636%0.36430%0.302SS..G310 helixtrans-57.2-31.7-178-68.2-62.3-6.300113.4E6 S352 T353 M357 W358E6-Q355 PolarHBondContact OE1-NE2 3.23Å; S352-Q355 WeakPolarHBondContact O-CB 3.29Å; S352-Q355 PolarHBondContact O-N 2.9Å; T353-Q355 VanDerWaalsContact C-N 3.3Å; Q355-M357 VanDerWaalsContact C-N 3.3Å; Q355-M357 PolarHBondContact O-N 2.89Å; Q355-W358 VanDerWaalsContact OE1-NE1 3.1Å
356A86.9Confident93.6Very high81 Ų8160.5 Ų60.567%0.66933%0.334SS*.G310 helixtrans-73.7-17.7177.100000114.2F354F354-A356 PolarHBondContact O-N 3.23Å; F354-A356 VanDerWaalsContact O-N 3.09Å
357M92.1Very high93.6Very high76 Ų7661.9 Ų61.937%0.37435%0.346SS..G310 helixtrans-86.6-20.1-176.2-63.5-61.2-65.400113Y135 F354 Q355 I359Y135-M357 HydrophobicContact CD2-CB 4.33Å; Y135-M357 WeakPolarHBondContact CD2-O 3.2Å; Y135-M357 HydrophobicContact CE2-CB 4.14Å; Y135-M357 HydrophobicContact CE2-CE 4.2Å; F354-M357 HydrophobicContact CD2-CB 3.84Å; F354-M357 HydrophobicContact CD2-CG 4.06Å; F354-M357 HydrophobicContact CE2-CB 3.82Å; F354-M357 HydrophobicContact CE2-CG 4.35Å; F354-M357 HydrophobicContact CG-CB 4.48Å; F354-M357 HydrophobicContact CZ-CB 4.45Å; F354-M357 WeakPolarHBondContact O-CB 3.2Å; F354-M357 PolarHBondContact O-N 3.15Å; Q355-M357 VanDerWaalsContact C-N 3.3Å; Q355-M357 PolarHBondContact O-N 2.89Å; M357-I359 PolarHBondContact O-N 3.34Å
358W95.9Very high93.7Very high10 Ų1059.5 Ų59.54%0.03834%0.339CS..PPolyproline II helixtrans-55.6138.1175.9-69.9119.9000111.4A9 P104 L106 A133 A349 F354 Q355 K375A9-W358 HydrophobicContact CB-CH2 3.95Å; A9-W358 HydrophobicContact CB-CZ2 3.7Å; P104-W358 HydrophobicContact CB-CD2 4.33Å; P104-W358 HydrophobicContact CB-CE3 4.37Å; P104-W358 HydrophobicContact CB-CH2 4.04Å; P104-W358 HydrophobicContact CB-CZ2 3.98Å; P104-W358 HydrophobicContact CB-CZ3 4.25Å; L106-W358 HydrophobicContact CB-CH2 3.91Å; L106-W358 HydrophobicContact CB-CZ3 4.25Å; A133-W358 HydrophobicContact CB-CB 4.09Å; A133-W358 HydrophobicContact CB-CG 4.43Å; A349-W358 HydrophobicContact CB-CH2 4.41Å; A349-W358 HydrophobicContact CB-CZ2 4.2Å; F354-W358 HydrophobicContact CD1-CD2 4.43Å; F354-W358 AromaticContact CD1-CE2 3.78Å; F354-W358 AromaticContact CD1-CZ2 3.91Å; F354-W358 HydrophobicContact CD1-CZ2 3.91Å; F354-W358 AromaticContact CD1-NE1 3.86Å; F354-W358 HydrophobicContact CE1-CD2 4.01Å; F354-W358 AromaticContact CE1-CE2 3.63Å; F354-W358 HydrophobicContact CE1-CE3 4.3Å; F354-W358 AromaticContact CE1-CH2 3.94Å; F354-W358 HydrophobicContact CE1-CH2 3.94Å; F354-W358 AromaticContact CE1-CZ2 3.6Å; F354-W358 HydrophobicContact CE1-CZ2 3.6Å; F354-W358 HydrophobicContact CE1-CZ3 4.27Å; Q355-W358 VanDerWaalsContact OE1-NE1 3.1Å; W358-K375 PolarHBondContact O-NZ 2.82Å
359I97.7Very high93.8Very high0 Ų060 Ų600%035%0.345CS..EExtended strand (participates in β ladder)trans-84.7119.1164.6-58.8160.5000105.7F126 A133 M134 M357 E363 I371 V372 K375F126-I359 HydrophobicContact CE2-CG2 3.83Å; F126-I359 HydrophobicContact CZ-CB 4.29Å; F126-I359 HydrophobicContact CZ-CG2 3.83Å; F126-I359 WeakPolarHBondContact CZ-O 3.47Å; A133-I359 CarbonylContact C-O 3.41Å; A133-I359 WeakPolarHBondContact CA-O 3.43Å; A133-I359 WeakPolarHBondContact CB-O 3.18Å; M134-I359 PolarHBondContact N-O 2.99Å; M134-I359 WeakPolarHBondContact O-CB 3.32Å; M134-I359 PolarHBondContact O-N 3.41Å; M357-I359 PolarHBondContact O-N 3.34Å; I359-E363 WeakPolarHBondContact CA-OE2 3.4Å; I359-E363 HydrophobicContact CG2-CB 4.47Å; I359-I371 HydrophobicContact CD1-CG2 4.48Å; I359-I371 HydrophobicContact CG2-CB 4.49Å; I359-I371 HydrophobicContact CG2-CG1 4.06Å; I359-I371 HydrophobicContact CG2-CG2 3.55Å; I359-V372 HydrophobicContact CD1-CB 3.97Å; I359-V372 HydrophobicContact CD1-CG2 3.85Å; I359-K375 HydrophobicContact CD1-CB 4.33Å; I359-K375 HydrophobicContact CG1-CB 3.89Å; I359-K375 HydrophobicContact CG1-CD 3.84Å; I359-K375 HydrophobicContact CG1-CG 4.24Å
360T97.6Very high93.8Very high53 Ų5361.9 Ų61.933%0.32536%0.357SS..EExtended strand (participates in β ladder)trans-86.6159.917770.10000111Q362 E363 Y364T360-Q362 PolarHBondContact O-N 3.31Å; T360-E363 PolarHBondContact N-OE2 3.49Å; T360-E363 PolarHBondContact O-N 3.46Å; T360-E363 VanDerWaalsContact O-N 3.14Å; T360-E363 WeakPolarHBondContact OG1-CG 3.34Å; T360-E363 PolarHBondContact OG1-N 3.36Å; T360-Y364 PolarHBondContact O-N 3Å
361K97.1Very high94Very high62 Ų6259.4 Ų59.427%0.2734%0.338SS..Hα-helixtrans-54.6-36.9172.2-175.365.2171.968.90112.2F126 P132 Y364 D365F126-K361 HydrophobicContact CB-CD 4.05Å; F126-K361 HydrophobicContact CD1-CB 4.27Å; F126-K361 HydrophobicContact CD1-CD 3.54Å; F126-K361 HydrophobicContact CE1-CB 4.18Å; F126-K361 HydrophobicContact CE1-CD 4.27Å; F126-K361 HydrophobicContact CG-CD 4.09Å; F126-K361 WeakPolarHBondContact O-CE 3.31Å; P132-K361 PolarHBondContact O-N 2.9Å; K361-Y364 WeakPolarHBondContact O-CB 3.5Å; K361-Y364 PolarHBondContact O-N 3.3Å; K361-D365 IonicContact NZ-OD1 2.79Å; K361-D365 PolarHBondContact NZ-OD1 2.95Å; K361-D365 IonicContact NZ-OD2 3.93Å; K361-D365 PolarHBondContact NZ-OD2 2.97Å; K361-D365 VanDerWaalsContact O-CG 3.26Å; K361-D365 PolarHBondContact O-N 2.96Å
362Q97.3Very high94.3Very high130 Ų13055.8 Ų55.861%0.60732%0.32SS*.Hα-helixtrans-62.8-48.5176.5-176.8-176.4-7.200111.7T360 Y364 D365 E366T360-Q362 PolarHBondContact O-N 3.31Å; Q362-Y364 VanDerWaalsContact C-N 3.25Å; Q362-Y364 PolarHBondContact O-N 2.97Å; Q362-D365 PolarHBondContact O-N 3.12Å; Q362-E366 WeakPolarHBondContact CG-OE1 3.29Å; Q362-E366 PolarHBondContact NE2-OE1 3.3Å; Q362-E366 WeakPolarHBondContact O-CG 3.46Å; Q362-E366 PolarHBondContact O-N 2.72Å; Q362-E366 VanDerWaalsContact O-N 3.08Å
363E97.3Very high94.6Very high54 Ų5452.9 Ų52.925%0.25230%0.295SS..Hα-helixtrans-62.6-36.1178.5-68.9176133.800111.8I359 T360 A367 I371 K375I359-E363 WeakPolarHBondContact CA-OE2 3.4Å; I359-E363 HydrophobicContact CG2-CB 4.47Å; T360-E363 PolarHBondContact N-OE2 3.49Å; T360-E363 PolarHBondContact O-N 3.46Å; T360-E363 VanDerWaalsContact O-N 3.14Å; T360-E363 WeakPolarHBondContact OG1-CG 3.34Å; T360-E363 PolarHBondContact OG1-N 3.36Å; E363-A367 WeakPolarHBondContact O-CB 3.39Å; E363-A367 PolarHBondContact O-N 3.24Å; E363-I371 HydrophobicContact CB-CG1 4.32Å; E363-K375 WeakPolarHBondContact OE1-CE 3.4Å; E363-K375 IonicContact OE1-NZ 3.02Å; E363-K375 PolarHBondContact OE1-NZ 3.13Å; E363-K375 WeakPolarHBondContact OE2-CE 3.45Å; E363-K375 IonicContact OE2-NZ 2.72Å; E363-K375 PolarHBondContact OE2-NZ 3.01Å
364Y98.1Very high94.8Very high8 Ų855.4 Ų55.43%0.03129%0.292CS..Hα-helixtrans-64.2-45.4172.9177-95.1000112.3T122 F126 E127 T360 K361 Q362 E366 A367 G368 P369T122-Y364 HydrophobicContact CG2-CD2 3.81Å; T122-Y364 HydrophobicContact CG2-CE2 3.89Å; F126-Y364 HydrophobicContact CB-CD1 3.75Å; F126-Y364 HydrophobicContact CB-CD2 4.37Å; F126-Y364 HydrophobicContact CB-CE1 3.84Å; F126-Y364 HydrophobicContact CB-CE2 4.41Å; F126-Y364 HydrophobicContact CB-CG 4.03Å; F126-Y364 HydrophobicContact CD2-CD1 4.01Å; F126-Y364 AromaticContact CD2-CD2 3.32Å; F126-Y364 HydrophobicContact CD2-CD2 3.32Å; F126-Y364 AromaticContact CD2-CE2 3.91Å; F126-Y364 HydrophobicContact CD2-CE2 3.91Å; F126-Y364 AromaticContact CD2-CG 3.36Å; F126-Y364 HydrophobicContact CD2-CG 3.36Å; F126-Y364 AromaticContact CE2-CD2 3.83Å; F126-Y364 HydrophobicContact CE2-CD2 3.83Å; F126-Y364 AromaticContact CE2-CG 3.86Å; F126-Y364 HydrophobicContact CE2-CG 3.86Å; F126-Y364 AromaticContact CG-CD1 4Å; F126-Y364 HydrophobicContact CG-CD1 4Å; F126-Y364 HydrophobicContact CG-CD2 4.13Å; F126-Y364 AromaticContact CG-CG 3.79Å; F126-Y364 HydrophobicContact CG-CG 3.79Å; E127-Y364 HydrophobicContact CG-CE1 4.05Å; E127-Y364 PolarHBondContact OE1-OH 2.96Å; T360-Y364 PolarHBondContact O-N 3Å; K361-Y364 WeakPolarHBondContact O-CB 3.5Å; K361-Y364 PolarHBondContact O-N 3.3Å; Q362-Y364 VanDerWaalsContact C-N 3.25Å; Q362-Y364 PolarHBondContact O-N 2.97Å; Y364-E366 PolarHBondContact O-N 2.61Å; Y364-A367 PolarHBondContact O-N 3.47Å; Y364-G368 WeakPolarHBondContact O-CA 3.42Å; Y364-G368 PolarHBondContact O-N 3.46Å; Y364-P369 HydrophobicContact CE2-CB 4.19Å; Y364-P369 HydrophobicContact CE2-CG 3.82Å
365D97.6Very high94.9Very high102 Ų10256.9 Ų56.955%0.54530%0.298SS..Hα-helixtrans-65.5-29-179.5-71.2-22.5000112.5K361 Q362K361-D365 IonicContact NZ-OD1 2.79Å; K361-D365 PolarHBondContact NZ-OD1 2.95Å; K361-D365 IonicContact NZ-OD2 3.93Å; K361-D365 PolarHBondContact NZ-OD2 2.97Å; K361-D365 VanDerWaalsContact O-CG 3.26Å; K361-D365 PolarHBondContact O-N 2.96Å; Q362-D365 PolarHBondContact O-N 3.12Å
366E97.4Very high95.1Very high145 Ų14553.3 Ų53.368%0.67828%0.282SS*.Hα-helixtrans-82.1-39.9177.5-69.3175.9-165.400113.5Q362 Y364Q362-E366 WeakPolarHBondContact CG-OE1 3.29Å; Q362-E366 PolarHBondContact NE2-OE1 3.3Å; Q362-E366 WeakPolarHBondContact O-CG 3.46Å; Q362-E366 PolarHBondContact O-N 2.72Å; Q362-E366 VanDerWaalsContact O-N 3.08Å; Y364-E366 PolarHBondContact O-N 2.61Å
367A96.8Very high94.5Very high33 Ų3357.4 Ų57.427%0.27329%0.285SS..Hα-helixtrans-111.9-6.7-17100000114.9E363 Y364 S370 I371E363-A367 WeakPolarHBondContact O-CB 3.39Å; E363-A367 PolarHBondContact O-N 3.24Å; Y364-A367 PolarHBondContact O-N 3.47Å; A367-S370 PolarHBondContact O-OG 3.05Å; A367-I371 HydrophobicContact CB-CB 4.06Å; A367-I371 HydrophobicContact CB-CD1 4.23Å; A367-I371 HydrophobicContact CB-CG1 4.48Å
368G97.1Very high94.6Very high23 Ų2356.5 Ų56.524%0.23728%0.28CS..  trans65.1-168.4-173.200000113.6Y364 S370 I371Y364-G368 WeakPolarHBondContact O-CA 3.42Å; Y364-G368 PolarHBondContact O-N 3.46Å; G368-S370 PolarHBondContact O-N 2.9Å; G368-I371 VanDerWaalsContact O-CG2 3.23Å; G368-I371 WeakPolarHBondContact O-CG2 3.45Å; G368-I371 PolarHBondContact O-N 3.33Å
369P96.4Very high94.5Very high39 Ų3958.9 Ų58.925%0.25329%0.293SS..G310 helixtrans-56-28.2-177.8-26.132.8000115.1E119 Q123 Y364 I371 V372E119-P369 HydrophobicContact CB-CB 3.75Å; E119-P369 HydrophobicContact CG-CB 4.06Å; Q123-P369 HydrophobicContact CB-CG 4.42Å; Y364-P369 HydrophobicContact CE2-CB 4.19Å; Y364-P369 HydrophobicContact CE2-CG 3.82Å; P369-I371 PolarHBondContact O-N 3.32Å; P369-V372 VanDerWaalsContact O-CG1 3.29Å; P369-V372 WeakPolarHBondContact O-CG1 3.46Å; P369-V372 PolarHBondContact O-N 3.31Å
370S96.6Very high94.3Very high43 Ų4362.2 Ų62.230%0.30131%0.309SS..G310 helixtrans-62.3-16.6-177.275.60000114.3A367 G368 V372 H373A367-S370 PolarHBondContact O-OG 3.05Å; G368-S370 PolarHBondContact O-N 2.9Å; S370-V372 PolarHBondContact O-N 3.01Å; S370-V372 VanDerWaalsContact O-N 3.17Å; S370-H373 PolarHBondContact O-N 3.32Å; S370-H373 VanDerWaalsContact O-N 3.09Å
371I96.6Very high94.1Very high14 Ų1462.7 Ų62.77%0.07231%0.308CS..G310 helixtrans-55.2-31.6175.9-170.756.9000112.4I359 E363 A367 G368 P369 H373 R374 K375I359-I371 HydrophobicContact CD1-CG2 4.48Å; I359-I371 HydrophobicContact CG2-CB 4.49Å; I359-I371 HydrophobicContact CG2-CG1 4.06Å; I359-I371 HydrophobicContact CG2-CG2 3.55Å; E363-I371 HydrophobicContact CB-CG1 4.32Å; A367-I371 HydrophobicContact CB-CB 4.06Å; A367-I371 HydrophobicContact CB-CD1 4.23Å; A367-I371 HydrophobicContact CB-CG1 4.48Å; G368-I371 VanDerWaalsContact O-CG2 3.23Å; G368-I371 WeakPolarHBondContact O-CG2 3.45Å; G368-I371 PolarHBondContact O-N 3.33Å; P369-I371 PolarHBondContact O-N 3.32Å; I371-H373 PolarHBondContact O-N 2.92Å; I371-H373 VanDerWaalsContact O-N 3.16Å; I371-R374 HydrophobicContact CD1-CB 4.41Å; I371-R374 WeakPolarHBondContact O-CB 3.47Å; I371-R374 PolarHBondContact O-N 2.96Å; I371-K375 PolarHBondContact O-N 2.91Å
372V95.9Very high94Very high0 Ų062.8 Ų62.80%031%0.311CS..Hα-helixtrans-60.7-28.9-179.8760000112.4R118 E119 V136 I359 P369 S370 R374 C376R118-V372 HydrophobicContact CB-CG1 4.37Å; R118-V372 HydrophobicContact CG-CB 4.47Å; R118-V372 HydrophobicContact CG-CG1 3.83Å; R118-V372 HydrophobicContact CG-CG2 3.77Å; E119-V372 HydrophobicContact CG-CG1 4.35Å; V136-V372 HydrophobicContact CB-CG2 4.33Å; V136-V372 HydrophobicContact CG2-CG2 4.03Å; I359-V372 HydrophobicContact CD1-CB 3.97Å; I359-V372 HydrophobicContact CD1-CG2 3.85Å; P369-V372 VanDerWaalsContact O-CG1 3.29Å; P369-V372 WeakPolarHBondContact O-CG1 3.46Å; P369-V372 PolarHBondContact O-N 3.31Å; S370-V372 PolarHBondContact O-N 3.01Å; S370-V372 VanDerWaalsContact O-N 3.17Å; V372-R374 VanDerWaalsContact C-N 3.29Å; V372-R374 PolarHBondContact O-N 2.79Å; V372-C376 HydrophobicContact CG2-CB 4.1Å; V372-C376 VanDerWaalsContact O-CB 3.25Å; V372-C376 WeakPolarHBondContact O-CB 3.35Å; V372-C376 PolarHBondContact O-N 3.02Å
373H93.9Very high93.7Very high37 Ų3758.3 Ų58.317%0.17129%0.291CS..Hα-helixtrans-79-11.5177.1-61.7-45000114.1K115 E119 S370 I371 F377K115-H373 WeakPolarHBondContact CB-NE2 3.45Å; K115-H373 PolarHBondContact O-NE2 3.08Å; E119-H373 WeakPolarHBondContact CG-NE2 3.36Å; E119-H373 IonicContact OE1-CD2 2.9Å; E119-H373 PolarHBondContact OE1-CD2 3.19Å; E119-H373 IonicContact OE1-NE2 3.86Å; E119-H373 PolarHBondContact OE1-NE2 2.88Å; S370-H373 PolarHBondContact O-N 3.32Å; S370-H373 VanDerWaalsContact O-N 3.09Å; I371-H373 PolarHBondContact O-N 2.92Å; I371-H373 VanDerWaalsContact O-N 3.16Å; H373-F377 WeakPolarHBondContact O-CE1 3.36Å
374R90.8Very high93.5Very high166 Ų16658.6 Ų58.663%0.62629%0.294SS*.Hα-helixtrans-96.5-25.1176.6-58.4-176.7-171.9170.74.5112.6I371 V372 F377I371-R374 HydrophobicContact CD1-CB 4.41Å; I371-R374 WeakPolarHBondContact O-CB 3.47Å; I371-R374 PolarHBondContact O-N 2.96Å; V372-R374 VanDerWaalsContact C-N 3.29Å; V372-R374 PolarHBondContact O-N 2.79Å; R374-F377 WeakPolarHBondContact O-CE2 3.49Å; R374-F377 WeakPolarHBondContact O-CZ 3.26Å
375K90.3Very high93.1Very high41 Ų4162.5 Ų62.518%0.17831%0.314CS..Hα-helixtrans-106.5-31.5-178.7-73.3-152.8173-175.30114.3W358 I359 E363 I371W358-K375 PolarHBondContact O-NZ 2.82Å; I359-K375 HydrophobicContact CD1-CB 4.33Å; I359-K375 HydrophobicContact CG1-CB 3.89Å; I359-K375 HydrophobicContact CG1-CD 3.84Å; I359-K375 HydrophobicContact CG1-CG 4.24Å; E363-K375 WeakPolarHBondContact OE1-CE 3.4Å; E363-K375 IonicContact OE1-NZ 3.02Å; E363-K375 PolarHBondContact OE1-NZ 3.13Å; E363-K375 WeakPolarHBondContact OE2-CE 3.45Å; E363-K375 IonicContact OE2-NZ 2.72Å; E363-K375 PolarHBondContact OE2-NZ 3.01Å; I371-K375 PolarHBondContact O-N 2.91Å
376C87.1Confident92.8Very high3 Ų359.2 Ų59.22%0.0230%0.295CS..  trans-106.8105.1-176.9-550000110.6R118 Y135 V136 V372R118-C376 PolarHBondContact NH1-O 3.39Å; Y135-C376 VanDerWaalsContact CD2-SG 3.5Å; Y135-C376 HydrophobicContact CE2-CB 4.29Å; Y135-C376 WeakPolarHBondContact CE2-SG 3.45Å; V136-C376 HydrophobicContact CB-CB 4.47Å; V136-C376 PolarHBondContact N-SG 2.81Å; V136-C376 VanDerWaalsContact N-SG 3.41Å; V136-C376 VanDerWaalsContact O-CB 3.3Å; V136-C376 WeakPolarHBondContact O-CB 3.49Å; V372-C376 HydrophobicContact CG2-CB 4.1Å; V372-C376 VanDerWaalsContact O-CB 3.25Å; V372-C376 WeakPolarHBondContact O-CB 3.35Å; V372-C376 PolarHBondContact O-N 3.02Å
377F74.2Confident92.3Very high166 Ų16651.4 Ų51.473%0.72826%0.26SS*.  trans-109.80-179.9-65.6-73000113.3H373 R374H373-F377 WeakPolarHBondContact O-CE1 3.36Å; R374-F377 WeakPolarHBondContact O-CE2 3.49Å; R374-F377 WeakPolarHBondContact O-CZ 3.26Å

Retrieved 377 of 377 residues in 119.4 ms (Link to these results)

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