A0A087XWF1_POEFO Loading...

N-terminal kinase-like protein

Regulates COPI-mediated retrograde protein traffic at the interface between the Golgi apparatus and the endoplasmic reticulum. Involved in the maintenance of the Golgi apparatus morphology.

AlphaFold DB , UniProt , Accession A0A087XWF1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 862 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M37.7Very low56.6Low229 Ų229144.2 Ų144.2100%1.12870%0.699SS**  058.80-166.3-172.8-66.500110.2
2W42.2Very low58.6Low248 Ų248140.7 Ų140.794%0.93969%0.686SS**  trans-129.46.8-171.8-92.355.3000113.5F4W2-F4 PolarHBondContact O-N 3.34Å
3S46.7Very low61Low104 Ų104131.2 Ų131.273%0.72764%0.64SS**G310 helixtrans-83.5-6.7-173.2-161.10000115.2
4F46.3Very low63.2Low195 Ų195124.7 Ų124.786%0.85562%0.618SS**G310 helixtrans-86.7-2.5-173.2-89.9-84.5000114.9W2W2-F4 PolarHBondContact O-N 3.34Å
5F47.8Very low65.2Low199 Ų199117.2 Ų117.287%0.87358%0.58SS**G310 helixtrans-114.315.1175.7-72.6-72.9000113.5R7F5-R7 PolarHBondContact O-N 3.44Å; F5-R7 VanDerWaalsContact O-N 3.09Å
6A51.3Low66.9Low80 Ų80116.5 Ų116.566%0.66157%0.574SS**  trans-61.7112.4162.100000108.1D8A6-D8 PolarHBondContact O-N 2.69Å
7R59.6Low68.3Low185 Ų185112.9 Ų112.970%0.69856%0.557SS**  trans-60.8130.5168.3-74.2-169.5178.8-170.1-0.5107.9F5 P9 D12F5-R7 PolarHBondContact O-N 3.44Å; F5-R7 VanDerWaalsContact O-N 3.09Å; R7-P9 WeakPolarHBondContact O-CD 3.4Å; R7-P9 VanDerWaalsContact O-N 3.12Å; R7-D12 WeakPolarHBondContact CD-OD2 3.42Å; R7-D12 IonicContact CZ-OD2 3.09Å; R7-D12 IonicContact NE-OD2 3.23Å; R7-D12 IonicContact NH1-OD1 2.72Å; R7-D12 PolarHBondContact NH1-OD1 3.13Å; R7-D12 IonicContact NH1-OD2 2.63Å; R7-D12 PolarHBondContact NH1-OD2 2.75Å
8D67.8Low69.5Low72 Ų72108.2 Ų108.239%0.38554%0.535SS..  trans-56.4111169.9175.51.1000109.1A6 V10 K11A6-D8 PolarHBondContact O-N 2.69Å; D8-V10 PolarHBondContact O-N 3.04Å; D8-V10 VanDerWaalsContact O-N 3.08Å; D8-V10 WeakPolarHBondContact OD1-CB 3.31Å; D8-V10 PolarHBondContact OD1-N 3Å; D8-K11 HydrophobicContact CB-CD 3.94Å; D8-K11 HydrophobicContact CB-CG 3.99Å; D8-K11 WeakPolarHBondContact O-CB 3.35Å; D8-K11 PolarHBondContact O-N 2.7Å; D8-K11 VanDerWaalsContact OD2-CE 3.29Å; D8-K11 WeakPolarHBondContact OD2-CE 3.1Å
9P71.6Confident69.9Low66 Ų66109.6 Ų109.643%0.42955%0.552SS.*THydrogen-bonded Turntrans-61.9-22.4-172.6-24.335.6000113.2R7 K11 D12 F13 L82 T84R7-P9 WeakPolarHBondContact O-CD 3.4Å; R7-P9 VanDerWaalsContact O-N 3.12Å; P9-K11 VanDerWaalsContact C-N 3.27Å; P9-K11 PolarHBondContact O-N 2.69Å; P9-D12 PolarHBondContact O-N 3.09Å; P9-F13 PolarHBondContact O-N 3.28Å; P9-L82 HydrophobicContact CB-CD1 3.82Å; P9-L82 HydrophobicContact CB-CD2 4.12Å; P9-T84 HydrophobicContact CB-CG2 4.27Å; P9-T84 HydrophobicContact CG-CG2 4.43Å
10V76.4Confident70.3Confident53 Ų53108.7 Ų108.732%0.32155%0.546SS..THydrogen-bonded Turntrans-70.2-24.3177.9-1720000111.5D8 F13 L82 Y89D8-V10 PolarHBondContact O-N 3.04Å; D8-V10 VanDerWaalsContact O-N 3.08Å; D8-V10 WeakPolarHBondContact OD1-CB 3.31Å; D8-V10 PolarHBondContact OD1-N 3Å; V10-F13 WeakPolarHBondContact O-CB 3.3Å; V10-L82 HydrophobicContact CG2-CD2 4.41Å; V10-Y89 HydrophobicContact CG2-CE2 4.14Å
11K74.8Confident70.5Confident155 Ų155108.7 Ų108.767%0.67456%0.557SS**THydrogen-bonded Turntrans-73.7-41.3176.8-65.2-177.8-175.5174.50112.4D8 P9 F13D8-K11 HydrophobicContact CB-CD 3.94Å; D8-K11 HydrophobicContact CB-CG 3.99Å; D8-K11 WeakPolarHBondContact O-CB 3.35Å; D8-K11 PolarHBondContact O-N 2.7Å; D8-K11 VanDerWaalsContact OD2-CE 3.29Å; D8-K11 WeakPolarHBondContact OD2-CE 3.1Å; P9-K11 VanDerWaalsContact C-N 3.27Å; P9-K11 PolarHBondContact O-N 2.69Å; K11-F13 VanDerWaalsContact C-N 3.27Å; K11-F13 PolarHBondContact O-N 3.29Å
12D81.3Confident72.6Confident102 Ų102101.4 Ų101.455%0.54553%0.526SS..SBendtrans-82.9-1.1178.2-71-16.1000112.2R7 P9R7-D12 WeakPolarHBondContact CD-OD2 3.42Å; R7-D12 IonicContact CZ-OD2 3.09Å; R7-D12 IonicContact NE-OD2 3.23Å; R7-D12 IonicContact NH1-OD1 2.72Å; R7-D12 PolarHBondContact NH1-OD1 3.13Å; R7-D12 IonicContact NH1-OD2 2.63Å; R7-D12 PolarHBondContact NH1-OD2 2.75Å; P9-D12 PolarHBondContact O-N 3.09Å
13F89.5Confident74.7Confident18 Ų1892.7 Ų92.78%0.07950%0.496CS..  trans-62.9130.9176.3-172.3-125.9000112.1P9 V10 K11 Y15 K36 L82 Y89 V91P9-F13 PolarHBondContact O-N 3.28Å; V10-F13 WeakPolarHBondContact O-CB 3.3Å; K11-F13 VanDerWaalsContact C-N 3.27Å; K11-F13 PolarHBondContact O-N 3.29Å; F13-Y15 HydrophobicContact CD1-CD2 4.49Å; F13-Y15 HydrophobicContact CD2-CD2 4.32Å; F13-Y15 HydrophobicContact CE1-CD2 4.07Å; F13-Y15 HydrophobicContact CE1-CG 4.45Å; F13-Y15 AromaticContact CE2-CD2 3.87Å; F13-Y15 HydrophobicContact CE2-CD2 3.87Å; F13-Y15 HydrophobicContact CE2-CE2 4.46Å; F13-Y15 AromaticContact CZ-CD2 3.75Å; F13-Y15 HydrophobicContact CZ-CD2 3.75Å; F13-Y15 HydrophobicContact CZ-CG 4.45Å; F13-Y15 PolarHBondContact O-N 3.4Å; F13-Y15 VanDerWaalsContact O-N 3.15Å; F13-K36 PolarHBondContact O-NZ 3.22Å; F13-L82 HydrophobicContact CB-CD2 4.2Å; F13-L82 HydrophobicContact CD2-CB 3.82Å; F13-L82 HydrophobicContact CD2-CD2 3.86Å; F13-L82 HydrophobicContact CD2-CG 4.48Å; F13-L82 HydrophobicContact CE2-CB 3.78Å; F13-L82 HydrophobicContact CG-CD2 4.19Å; F13-Y89 HydrophobicContact CZ-CG 4.5Å; F13-V91 HydrophobicContact CE2-CG2 4.17Å; F13-V91 HydrophobicContact CZ-CG2 3.6Å
14A91.6Very high76.6Confident40 Ų4096 Ų9633%0.33150%0.497SS..SBendtrans-76-0.5-169.100000115.9K36A14-K36 WeakPolarHBondContact O-CB 3.48Å; A14-K36 WeakPolarHBondContact O-CG 3.29Å; A14-K36 PolarHBondContact O-N 3.22Å
15Y93.2Very high78.5Confident12 Ų1287.3 Ų87.35%0.04746%0.461CS..EExtended strand (participates in β ladder)trans-123148.5-174.9-49.3-89.9000111.4F13 K34 R35 K36 V42 D80 V91F13-Y15 HydrophobicContact CD1-CD2 4.49Å; F13-Y15 HydrophobicContact CD2-CD2 4.32Å; F13-Y15 HydrophobicContact CE1-CD2 4.07Å; F13-Y15 HydrophobicContact CE1-CG 4.45Å; F13-Y15 AromaticContact CE2-CD2 3.87Å; F13-Y15 HydrophobicContact CE2-CD2 3.87Å; F13-Y15 HydrophobicContact CE2-CE2 4.46Å; F13-Y15 AromaticContact CZ-CD2 3.75Å; F13-Y15 HydrophobicContact CZ-CD2 3.75Å; F13-Y15 HydrophobicContact CZ-CG 4.45Å; F13-Y15 PolarHBondContact O-N 3.4Å; F13-Y15 VanDerWaalsContact O-N 3.15Å; Y15-K34 CarbonylContact C-O 3.49Å; Y15-K34 WeakPolarHBondContact CA-O 3.15Å; Y15-R35 HydrophobicContact CD1-CB 3.91Å; Y15-R35 HydrophobicContact CD1-CG 4.08Å; Y15-R35 HydrophobicContact CE1-CB 3.89Å; Y15-R35 HydrophobicContact CE1-CG 3.7Å; Y15-K36 WeakPolarHBondContact O-CE 3.48Å; Y15-K36 PolarHBondContact O-NZ 3.15Å; Y15-V42 HydrophobicContact CD1-CG1 4.38Å; Y15-V42 HydrophobicContact CD1-CG2 3.92Å; Y15-V42 HydrophobicContact CE1-CG1 4.36Å; Y15-D80 HydrophobicContact CE2-CB 3.62Å; Y15-D80 WeakPolarHBondContact CE2-OD2 3.29Å; Y15-D80 WeakPolarHBondContact OH-CB 3.48Å; Y15-D80 PolarHBondContact OH-OD2 2.87Å; Y15-V91 HydrophobicContact CD1-CG1 3.96Å; Y15-V91 HydrophobicContact CD2-CG1 4.37Å; Y15-V91 HydrophobicContact CD2-CG2 3.81Å; Y15-V91 HydrophobicContact CE1-CG1 3.93Å; Y15-V91 HydrophobicContact CE2-CG1 4.36Å; Y15-V91 HydrophobicContact CE2-CG2 4.05Å; Y15-V91 HydrophobicContact CG-CG1 4.21Å; Y15-V91 HydrophobicContact CG-CG2 4.22Å
16E92.2Very high80.3Confident106 Ų10679.3 Ų79.350%0.49544%0.435SS..EExtended strand (participates in β ladder)trans-99.3130.7169.5-178.5176.2-166.500108.3G33 K34 K36E16-G33 CarbonylContact O-C 3.51Å; E16-G33 WeakPolarHBondContact O-CA 3.3Å; E16-K34 PolarHBondContact N-O 3.14Å; E16-K34 PolarHBondContact O-N 3.06Å; E16-K36 HydrophobicContact CB-CG 4.34Å
17I91.8Very high82.1Confident56 Ų5676.6 Ų76.629%0.28741%0.409SS..EExtended strand (participates in β ladder)trans-94.4124.3174.2-59.6177.9000107H31 V44 V46 Y89I17-H31 HydrophobicContact CG2-CB 3.54Å; I17-V44 HydrophobicContact CD1-CG1 4.03Å; I17-V44 HydrophobicContact CG1-CB 4.49Å; I17-V44 HydrophobicContact CG1-CG1 4.19Å; I17-V46 HydrophobicContact CD1-CG2 4.24Å; I17-Y89 HydrophobicContact CD1-CD1 3.99Å; I17-Y89 HydrophobicContact CD1-CE1 3.93Å
18L89Confident83.8Confident28 Ų2868.4 Ų68.415%0.14738%0.378CS..PPolyproline II helixtrans-78.4144.1-177.9-58.2177.5000110.3E20 R32 K34L18-E20 PolarHBondContact O-N 3.01Å; L18-E20 VanDerWaalsContact O-N 3.09Å; L18-R32 WeakPolarHBondContact CB-O 3.25Å; L18-R32 HydrophobicContact CD1-CB 4.15Å; L18-R32 PolarHBondContact N-O 2.94Å; L18-K34 HydrophobicContact CD1-CG 4.43Å; L18-K34 HydrophobicContact CD2-CD 4.42Å
19P77.8Confident85Confident134 Ų13467.5 Ų67.587%0.8738%0.375SS*.  trans-78.317179.534.6-37.7000113.7
20E77.7Confident86.1Confident91 Ų9164.8 Ų64.843%0.42536%0.357SS..SBendtrans-65.2154.3172.1-69.3-179.5-163.900110.5L18 P22 R32L18-E20 PolarHBondContact O-N 3.01Å; L18-E20 VanDerWaalsContact O-N 3.09Å; E20-P22 WeakPolarHBondContact O-CD 3.23Å; E20-P22 VanDerWaalsContact O-N 3.13Å; E20-R32 WeakPolarHBondContact OE2-CD 3.43Å; E20-R32 IonicContact OE2-CZ 3.1Å; E20-R32 IonicContact OE2-NE 3.92Å; E20-R32 IonicContact OE2-NH1 2.75Å; E20-R32 PolarHBondContact OE2-NH1 3.06Å
21S74.6Confident87Confident110 Ų11064.2 Ų64.277%0.76935%0.35SS*.  trans-55.9115.4-173.752.40000111.9
22P81.7Confident87.9Confident76 Ų7662.6 Ų62.649%0.49434%0.34SS..PPolyproline II helixtrans-72.2145-177.527.1-33.2000112.2E20 T29 L30E20-P22 WeakPolarHBondContact O-CD 3.23Å; E20-P22 VanDerWaalsContact O-N 3.13Å; P22-T29 HydrophobicContact CB-CG2 3.54Å; P22-T29 HydrophobicContact CG-CG2 4.27Å; P22-L30 WeakPolarHBondContact CA-O 3.46Å
23E85.5Confident88.5Confident64 Ų6457.8 Ų57.830%0.29932%0.315SS..EExtended strand (participates in β ladder)trans-101.8138.7179.1-66-179.117600110.5L30 P97E23-L30 HydrophobicContact CB-CB 4.44Å; E23-L30 PolarHBondContact N-O 3.45Å; E23-L30 PolarHBondContact O-N 3.43Å; E23-P97 WeakPolarHBondContact OE2-CD 3.44Å; E23-P97 VanDerWaalsContact OE2-CG 3.27Å; E23-P97 WeakPolarHBondContact OE2-CG 3.4Å
24K86.7Confident88.7Confident173 Ų17361.4 Ų61.475%0.75233%0.331SS*.EExtended strand (participates in β ladder)trans-83.3120.4176.7-172.7174.6-177.6175.30110.5G26K24-G26 VanDerWaalsContact CE-O 3.3Å; K24-G26 WeakPolarHBondContact CE-O 3.49Å
25S86.3Confident88.9Confident14 Ų1464.5 Ų64.510%0.09833%0.334CS..EExtended strand (participates in β ladder)trans-120.682.2-179.3-167.80000110I27 W28 F147S25-I27 PolarHBondContact O-N 3.46Å; S25-W28 CarbonylContact C-O 3.59Å; S25-W28 PolarHBondContact N-O 3.31Å; S25-W28 WeakPolarHBondContact O-CB 3.44Å; S25-W28 PolarHBondContact O-N 3.04Å; S25-F147 WeakPolarHBondContact OG-CZ 3.48Å
26G85.8Confident88.9Confident31 Ų3169.4 Ų69.432%0.3236%0.355SS..THydrogen-bonded Turntrans63.4-117.8-174.700000112.1K24 W28 Y181K24-G26 VanDerWaalsContact CE-O 3.3Å; K24-G26 WeakPolarHBondContact CE-O 3.49Å; G26-W28 VanDerWaalsContact C-N 3.34Å; G26-Y181 PolarHBondContact O-OH 2.83Å
27I90.3Very high88.8Confident23 Ų2369.7 Ų69.712%0.11836%0.364CS..THydrogen-bonded Turntrans-78.8-16.8174.164.3177.7000112.9S25 Y47 Q56 L59 A60 D160 V180 Y181S25-I27 PolarHBondContact O-N 3.46Å; I27-Y47 HydrophobicContact CB-CD2 4.39Å; I27-Y47 HydrophobicContact CB-CE2 4.42Å; I27-Y47 WeakPolarHBondContact O-CD2 3.29Å; I27-Q56 HydrophobicContact CG2-CB 4.3Å; I27-Q56 HydrophobicContact CG2-CG 3.9Å; I27-L59 HydrophobicContact CD1-CB 4.04Å; I27-A60 HydrophobicContact CD1-CB 4Å; I27-D160 HydrophobicContact CD1-CB 4.33Å; I27-V180 HydrophobicContact CG2-CG1 4.26Å; I27-Y181 WeakPolarHBondContact CA-OH 3.2Å; I27-Y181 HydrophobicContact CG2-CE2 4.14Å; I27-Y181 VanDerWaalsContact CG2-OH 3.31Å; I27-Y181 WeakPolarHBondContact CG2-OH 3.33Å; I27-Y181 PolarHBondContact N-OH 2.93Å
28W93.4Very high88.7Confident12 Ų1270 Ų705%0.04537%0.372CS..EExtended strand (participates in β ladder)trans-96.3151.9-175.3-55.191.4000112.1S25 G26 F45 A60 A63 L88 L90S25-W28 CarbonylContact C-O 3.59Å; S25-W28 PolarHBondContact N-O 3.31Å; S25-W28 WeakPolarHBondContact O-CB 3.44Å; S25-W28 PolarHBondContact O-N 3.04Å; G26-W28 VanDerWaalsContact C-N 3.34Å; W28-F45 HydrophobicContact CB-CB 4.23Å; W28-F45 HydrophobicContact CB-CD1 3.99Å; W28-F45 HydrophobicContact CD2-CB 4.19Å; W28-F45 HydrophobicContact CE3-CB 3.9Å; W28-F45 HydrophobicContact CG-CB 4.34Å; W28-F45 HydrophobicContact CG-CD1 4.33Å; W28-A60 HydrophobicContact CH2-CB 3.98Å; W28-A60 HydrophobicContact CZ2-CB 3.95Å; W28-A63 HydrophobicContact CZ2-CB 3.94Å; W28-L88 HydrophobicContact CH2-CB 4.4Å; W28-L88 HydrophobicContact CH2-CD2 4.48Å; W28-L88 HydrophobicContact CZ3-CB 4.16Å; W28-L90 HydrophobicContact CZ3-CB 4.39Å
29T93.8Very high88.8Confident54 Ų5470.6 Ų70.633%0.33139%0.385SS..EExtended strand (participates in β ladder)trans-99.3116.8163.8-55.40000108.2P22 H31 F45 V46P22-T29 HydrophobicContact CB-CG2 3.54Å; P22-T29 HydrophobicContact CG-CG2 4.27Å; T29-H31 WeakPolarHBondContact CG2-NE2 3.44Å; T29-F45 WeakPolarHBondContact O-CA 3.34Å; T29-V46 PolarHBondContact N-O 3.26Å; T29-V46 PolarHBondContact O-N 3.46Å
30L94.9Very high89.5Confident9 Ų967.8 Ų67.85%0.04736%0.362CS..EExtended strand (participates in β ladder)trans-89.1122.9178.3172.459.6000110.1P22 E23 F45 P97 F147P22-L30 WeakPolarHBondContact CA-O 3.46Å; E23-L30 HydrophobicContact CB-CB 4.44Å; E23-L30 PolarHBondContact N-O 3.45Å; E23-L30 PolarHBondContact O-N 3.43Å; L30-F45 HydrophobicContact CB-CD1 4.33Å; L30-F45 HydrophobicContact CB-CE1 4.32Å; L30-F45 HydrophobicContact CD1-CD1 4.22Å; L30-F45 HydrophobicContact CD1-CD2 4.2Å; L30-F45 HydrophobicContact CD1-CE1 4.01Å; L30-F45 HydrophobicContact CD1-CE2 3.96Å; L30-F45 HydrophobicContact CD1-CG 4.32Å; L30-F45 HydrophobicContact CD1-CZ 3.87Å; L30-F45 HydrophobicContact CD2-CE1 4.42Å; L30-F45 HydrophobicContact CD2-CZ 4.48Å; L30-F45 HydrophobicContact CG-CE1 4.48Å; L30-P97 HydrophobicContact CD2-CG 3.65Å; L30-F147 HydrophobicContact CD2-CE1 4.42Å
31H94.6Very high90.2Very high40 Ų4065.7 Ų65.719%0.18536%0.356CS..EExtended strand (participates in β ladder)trans-115.6153.1171.3-61.4-106.8000110.9I17 T29 V44I17-H31 HydrophobicContact CG2-CB 3.54Å; T29-H31 WeakPolarHBondContact CG2-NE2 3.44Å; H31-V44 PolarHBondContact N-O 3.37Å; H31-V44 PolarHBondContact O-N 3.06Å
32R94.1Very high91.2Very high121 Ų12160.9 Ų60.946%0.45732%0.322SS..EExtended strand (participates in β ladder)trans-79.1143.5161.7-69.7164.8171.3-171-0.9109.4L18 E20L18-R32 WeakPolarHBondContact CB-O 3.25Å; L18-R32 HydrophobicContact CD1-CB 4.15Å; L18-R32 PolarHBondContact N-O 2.94Å; E20-R32 WeakPolarHBondContact OE2-CD 3.43Å; E20-R32 IonicContact OE2-CZ 3.1Å; E20-R32 IonicContact OE2-NE 3.92Å; E20-R32 IonicContact OE2-NH1 2.75Å; E20-R32 PolarHBondContact OE2-NH1 3.06Å
33G93.8Very high91.9Very high2 Ų257.3 Ų57.32%0.02130%0.299CS..EExtended strand (participates in β ladder)trans-142.4173.9178.100000113.1E16 V42E16-G33 CarbonylContact O-C 3.51Å; E16-G33 WeakPolarHBondContact O-CA 3.3Å; G33-V42 PolarHBondContact N-O 3.27Å; G33-V42 PolarHBondContact O-N 3.29Å
34K94.6Very high92.4Very high93 Ų9354.2 Ų54.240%0.40429%0.285SS..EExtended strand (participates in β ladder)trans-136145.6172.8-67.9179.9-178.11730110.9Y15 E16 L18 D40Y15-K34 CarbonylContact C-O 3.49Å; Y15-K34 WeakPolarHBondContact CA-O 3.15Å; E16-K34 PolarHBondContact N-O 3.14Å; E16-K34 PolarHBondContact O-N 3.06Å; L18-K34 HydrophobicContact CD1-CG 4.43Å; L18-K34 HydrophobicContact CD2-CD 4.42Å; K34-D40 CarbonylContact C-O 3.59Å; K34-D40 VanDerWaalsContact CA-O 3.3Å; K34-D40 WeakPolarHBondContact CA-O 3.39Å
35R95.1Very high92.8Very high106 Ų10646.3 Ų46.340%0.425%0.251SS..EExtended strand (participates in β ladder)trans-76.9121.5173.4-170.2177.5-178.4-159.64.5110.2Y15 T37 S38 G39 D40Y15-R35 HydrophobicContact CD1-CB 3.91Å; Y15-R35 HydrophobicContact CD1-CG 4.08Å; Y15-R35 HydrophobicContact CE1-CB 3.89Å; Y15-R35 HydrophobicContact CE1-CG 3.7Å; R35-T37 PolarHBondContact O-N 3.45Å; R35-S38 PolarHBondContact O-N 2.86Å; R35-G39 WeakPolarHBondContact O-CA 3.38Å; R35-G39 PolarHBondContact O-N 3.44Å; R35-D40 HydrophobicContact CB-CB 4.03Å; R35-D40 PolarHBondContact N-O 3.12Å; R35-D40 IonicContact NH1-OD2 2.61Å
36K92.4Very high93.2Very high115 Ų11546.1 Ų46.150%0.525%0.249SC..THydrogen-bonded Turntrans-60.1-22.9-171.1-70.4173.1175.5164.10114.6F13 A14 Y15 E16F13-K36 PolarHBondContact O-NZ 3.22Å; A14-K36 WeakPolarHBondContact O-CB 3.48Å; A14-K36 WeakPolarHBondContact O-CG 3.29Å; A14-K36 PolarHBondContact O-N 3.22Å; Y15-K36 WeakPolarHBondContact O-CE 3.48Å; Y15-K36 PolarHBondContact O-NZ 3.15Å; E16-K36 HydrophobicContact CB-CG 4.34Å
37T91.5Very high93.7Very high111 Ų11144.9 Ų44.968%0.68123%0.234SC*.THydrogen-bonded Turntrans-86.1-24.8-175.951.30000114.8R35R35-T37 PolarHBondContact O-N 3.45Å
38S90.2Very high93.8Very high63 Ų6348 Ų4844%0.44125%0.248SC..THydrogen-bonded Turntrans-136.7-15.2-16740.20000113.4R35 D40R35-S38 PolarHBondContact O-N 2.86Å; S38-D40 VanDerWaalsContact CB-OD2 3.28Å; S38-D40 WeakPolarHBondContact CB-OD2 3.49Å; S38-D40 PolarHBondContact O-N 3.09Å; S38-D40 PolarHBondContact OG-OD2 3Å
39G90.9Very high93.8Very high41 Ų4149.5 Ų49.542%0.42326%0.259SS..  trans79-0.7-171.300000114R35R35-G39 WeakPolarHBondContact O-CA 3.38Å; R35-G39 PolarHBondContact O-N 3.44Å
40D91Very high93.6Very high74 Ų7451.6 Ų51.640%0.39628%0.281SS..  trans-52.5125.1-176.3-61.6-38.4000110.8K34 R35 S38K34-D40 CarbonylContact C-O 3.59Å; K34-D40 VanDerWaalsContact CA-O 3.3Å; K34-D40 WeakPolarHBondContact CA-O 3.39Å; R35-D40 HydrophobicContact CB-CB 4.03Å; R35-D40 PolarHBondContact N-O 3.12Å; R35-D40 IonicContact NH1-OD2 2.61Å; S38-D40 VanDerWaalsContact CB-OD2 3.28Å; S38-D40 WeakPolarHBondContact CB-OD2 3.49Å; S38-D40 PolarHBondContact O-N 3.09Å; S38-D40 PolarHBondContact OG-OD2 3Å
41P93.7Very high93.2Very high47 Ų4758.2 Ų58.231%0.30531%0.312SS..EExtended strand (participates in β ladder)trans-75.2137.6-178.830.4-32.8000110.7Q94 R150P41-Q94 HydrophobicContact CB-CB 4.45Å; P41-R150 VanDerWaalsContact CG-NH2 3.35Å
42V95.8Very high92.8Very high9 Ų957.3 Ų57.36%0.05531%0.314CS..EExtended strand (participates in β ladder)trans-136.5161.9-178.2-680000110.4Y15 G33 V44 V91 T92Y15-V42 HydrophobicContact CD1-CG1 4.38Å; Y15-V42 HydrophobicContact CD1-CG2 3.92Å; Y15-V42 HydrophobicContact CE1-CG1 4.36Å; G33-V42 PolarHBondContact N-O 3.27Å; G33-V42 PolarHBondContact O-N 3.29Å; V42-V44 HydrophobicContact CG2-CG2 4.03Å; V42-V91 HydrophobicContact CB-CG1 3.82Å; V42-V91 HydrophobicContact CG1-CG1 4.05Å; V42-V91 HydrophobicContact CG2-CG1 3.92Å; V42-T92 WeakPolarHBondContact CB-O 3.36Å
43S95.9Very high92.6Very high1 Ų155.1 Ų55.11%0.00731%0.314CS..EExtended strand (participates in β ladder)trans-100.8137.9164.5-750000109.4V91 T92 V95S43-V91 WeakPolarHBondContact O-CA 3.34Å; S43-T92 WeakPolarHBondContact CB-OG1 3.45Å; S43-T92 PolarHBondContact N-O 2.75Å; S43-T92 PolarHBondContact O-N 3.09Å; S43-V95 PolarHBondContact OG-N 3.11Å; S43-V95 PolarHBondContact OG-O 2.93Å
44V95.7Very high92.4Very high0 Ų062 Ų620%035%0.346CS..EExtended strand (participates in β ladder)trans-125.5110.3-177.5-173.50000109.1I17 H31 V42 V46 L90 V91I17-V44 HydrophobicContact CD1-CG1 4.03Å; I17-V44 HydrophobicContact CG1-CB 4.49Å; I17-V44 HydrophobicContact CG1-CG1 4.19Å; H31-V44 PolarHBondContact N-O 3.37Å; H31-V44 PolarHBondContact O-N 3.06Å; V42-V44 HydrophobicContact CG2-CG2 4.03Å; V44-V46 HydrophobicContact CG1-CG2 4.15Å; V44-L90 CarbonylContact C-O 3.59Å; V44-L90 WeakPolarHBondContact CA-O 3.45Å; V44-V91 HydrophobicContact CG1-CG2 4.49Å; V44-V91 HydrophobicContact CG2-CG1 4.44Å; V44-V91 HydrophobicContact CG2-CG2 4.39Å
45F95.7Very high92.1Very high7 Ų762 Ų623%0.03135%0.347CS..EExtended strand (participates in β ladder)trans-87.9128.2173.2-62.5-100.9000108.8W28 T29 L30 L76 Y89 L90 T92 F147W28-F45 HydrophobicContact CB-CB 4.23Å; W28-F45 HydrophobicContact CB-CD1 3.99Å; W28-F45 HydrophobicContact CD2-CB 4.19Å; W28-F45 HydrophobicContact CE3-CB 3.9Å; W28-F45 HydrophobicContact CG-CB 4.34Å; W28-F45 HydrophobicContact CG-CD1 4.33Å; T29-F45 WeakPolarHBondContact O-CA 3.34Å; L30-F45 HydrophobicContact CB-CD1 4.33Å; L30-F45 HydrophobicContact CB-CE1 4.32Å; L30-F45 HydrophobicContact CD1-CD1 4.22Å; L30-F45 HydrophobicContact CD1-CD2 4.2Å; L30-F45 HydrophobicContact CD1-CE1 4.01Å; L30-F45 HydrophobicContact CD1-CE2 3.96Å; L30-F45 HydrophobicContact CD1-CG 4.32Å; L30-F45 HydrophobicContact CD1-CZ 3.87Å; L30-F45 HydrophobicContact CD2-CE1 4.42Å; L30-F45 HydrophobicContact CD2-CZ 4.48Å; L30-F45 HydrophobicContact CG-CE1 4.48Å; F45-L76 HydrophobicContact CE2-CD2 3.87Å; F45-L76 HydrophobicContact CZ-CD2 3.84Å; F45-Y89 WeakPolarHBondContact O-CA 3.42Å; F45-L90 HydrophobicContact CB-CB 4.15Å; F45-L90 HydrophobicContact CB-CD2 4.12Å; F45-L90 HydrophobicContact CB-CG 4.38Å; F45-L90 HydrophobicContact CD2-CD2 4.34Å; F45-L90 HydrophobicContact CD2-CG 4.48Å; F45-L90 HydrophobicContact CG-CD2 4.36Å; F45-L90 PolarHBondContact N-O 2.91Å; F45-L90 PolarHBondContact O-N 3.41Å; F45-T92 HydrophobicContact CD2-CG2 4.11Å; F45-T92 HydrophobicContact CE2-CG2 3.92Å; F45-F147 AromaticContact CE1-CE1 3.68Å; F45-F147 HydrophobicContact CE1-CE1 3.68Å; F45-F147 AromaticContact CE1-CZ 3.77Å; F45-F147 HydrophobicContact CE1-CZ 3.77Å; F45-F147 HydrophobicContact CZ-CD1 4.14Å; F45-F147 AromaticContact CZ-CE1 3.6Å; F45-F147 HydrophobicContact CZ-CE1 3.6Å; F45-F147 AromaticContact CZ-CZ 3.89Å; F45-F147 HydrophobicContact CZ-CZ 3.89Å
46V94.9Very high91.9Very high9 Ų958.7 Ų58.76%0.05534%0.336CS..EExtended strand (participates in β ladder)trans-119.5130.4-178.8-173.40000109.1I17 T29 V44 L88 Y89I17-V46 HydrophobicContact CD1-CG2 4.24Å; T29-V46 PolarHBondContact N-O 3.26Å; T29-V46 PolarHBondContact O-N 3.46Å; V44-V46 HydrophobicContact CG1-CG2 4.15Å; V46-L88 WeakPolarHBondContact CA-O 3.31Å; V46-Y89 HydrophobicContact CG1-CD1 4.18Å; V46-Y89 HydrophobicContact CG1-CE1 3.93Å; V46-Y89 HydrophobicContact CG2-CD1 3.83Å; V46-Y89 HydrophobicContact CG2-CE1 4.07Å
47Y95.1Very high91.9Very high6 Ų654.1 Ų54.12%0.02432%0.318CS..EExtended strand (participates in β ladder)trans-120.8120.9170.2174.4-94.7000109.1I27 V49 G52 T53 Q56 T57 A60 S87 L88I27-Y47 HydrophobicContact CB-CD2 4.39Å; I27-Y47 HydrophobicContact CB-CE2 4.42Å; I27-Y47 WeakPolarHBondContact O-CD2 3.29Å; Y47-V49 HydrophobicContact CD1-CG2 4.26Å; Y47-V49 HydrophobicContact CE1-CB 4.5Å; Y47-V49 HydrophobicContact CE1-CG2 4.09Å; Y47-G52 WeakPolarHBondContact OH-CA 3.35Å; Y47-T53 PolarHBondContact OH-O 3.42Å; Y47-Q56 HydrophobicContact CE2-CB 4.04Å; Y47-Q56 WeakPolarHBondContact OH-CB 3.28Å; Y47-T57 HydrophobicContact CE1-CG2 4.27Å; Y47-T57 WeakPolarHBondContact OH-CA 3.41Å; Y47-T57 PolarHBondContact OH-N 2.87Å; Y47-T57 PolarHBondContact OH-OG1 3.17Å; Y47-A60 HydrophobicContact CD1-CB 3.65Å; Y47-A60 HydrophobicContact CD2-CB 4.03Å; Y47-A60 HydrophobicContact CE1-CB 3.98Å; Y47-A60 HydrophobicContact CE2-CB 4.33Å; Y47-A60 HydrophobicContact CG-CB 3.68Å; Y47-S87 CarbonylContact O-C 3.23Å; Y47-S87 WeakPolarHBondContact O-CA 3.49Å; Y47-S87 WeakPolarHBondContact O-CB 3.37Å; Y47-L88 PolarHBondContact N-O 3.02Å; Y47-L88 PolarHBondContact O-N 2.76Å
48E93.6Very high91.9Very high88 Ų8852.4 Ų52.441%0.41130%0.302SS..EExtended strand (participates in β ladder)trans-94.2114176.3-69.6-170.7-148.100110.9A50 Q51 G52E48-A50 PolarHBondContact O-N 3.43Å; E48-Q51 HydrophobicContact CB-CB 4.18Å; E48-Q51 HydrophobicContact CB-CG 3.88Å; E48-Q51 PolarHBondContact O-N 3.24Å; E48-Q51 PolarHBondContact OE1-NE2 3.38Å; E48-Q51 PolarHBondContact OE2-NE2 2.91Å; E48-G52 PolarHBondContact O-N 3.06Å
49V92Very high92Very high43 Ų4349.4 Ų49.426%0.26128%0.281SS..THydrogen-bonded Turntrans-60.9-29.3-178.8-1770000111.6Y47 Q51 T57 K86 L88Y47-V49 HydrophobicContact CD1-CG2 4.26Å; Y47-V49 HydrophobicContact CE1-CB 4.5Å; Y47-V49 HydrophobicContact CE1-CG2 4.09Å; V49-Q51 VanDerWaalsContact C-N 3.33Å; V49-T57 HydrophobicContact CG1-CG2 4.05Å; V49-T57 HydrophobicContact CG2-CG2 4.45Å; V49-K86 WeakPolarHBondContact CB-O 3.48Å; V49-K86 WeakPolarHBondContact CG2-O 3.27Å; V49-K86 PolarHBondContact N-O 3.33Å; V49-L88 HydrophobicContact CG2-CD1 4.03Å
50A89.8Confident92.1Very high98 Ų9847.4 Ų47.481%0.8126%0.261SS*.THydrogen-bonded Turntrans-76.7-14.5177.100000114.4E48E48-A50 PolarHBondContact O-N 3.43Å
51Q87.1Confident92.2Very high148 Ų14848.1 Ų48.169%0.69226%0.261SS*.THydrogen-bonded Turntrans-102-25.5179.7-61.1-16727.900113.3E48 V49E48-Q51 HydrophobicContact CB-CB 4.18Å; E48-Q51 HydrophobicContact CB-CG 3.88Å; E48-Q51 PolarHBondContact O-N 3.24Å; E48-Q51 PolarHBondContact OE1-NE2 3.38Å; E48-Q51 PolarHBondContact OE2-NE2 2.91Å; V49-Q51 VanDerWaalsContact C-N 3.33Å
52G86Confident92.1Very high22 Ų2246.9 Ų46.923%0.22725%0.254CS..SBendtrans-97.1167.7-177.600000114.6Y47 E48 Q56Y47-G52 WeakPolarHBondContact OH-CA 3.35Å; E48-G52 PolarHBondContact O-N 3.06Å; G52-Q56 VanDerWaalsContact CA-OE1 3.31Å
53T90.4Very high91.9Very high74 Ų7446.5 Ų46.545%0.45425%0.252SS..  trans-77.3167.4174.669.50000111.9Y47 Q55 Q56 T57Y47-T53 PolarHBondContact OH-O 3.42Å; T53-Q55 VanDerWaalsContact C-N 3.27Å; T53-Q55 PolarHBondContact O-N 3.45Å; T53-Q56 PolarHBondContact O-N 3.16Å; T53-Q56 WeakPolarHBondContact OG1-CG 3.13Å; T53-Q56 PolarHBondContact OG1-N 3.22Å; T53-Q56 VanDerWaalsContact OG1-N 3.13Å; T53-T57 WeakPolarHBondContact O-CB 3.48Å; T53-T57 PolarHBondContact O-N 3.08Å; T53-T57 PolarHBondContact O-OG1 3.29Å
54E89.1Confident91.8Very high148 Ų14846.8 Ų46.869%0.69225%0.253SS*.Hα-helixtrans-57.8-42.5172.2-165.8-168.6154.300111.4Q56 T57 Q58E54-Q56 PolarHBondContact O-N 2.99Å; E54-T57 WeakPolarHBondContact O-CB 3.43Å; E54-T57 PolarHBondContact O-N 3.32Å; E54-T57 VanDerWaalsContact O-N 3.11Å; E54-Q58 WeakPolarHBondContact O-CG 3.39Å; E54-Q58 PolarHBondContact O-N 3.15Å; E54-Q58 PolarHBondContact OE1-NE2 3.28Å
55Q88.6Confident91.6Very high93 Ų9354.2 Ų54.244%0.43529%0.285SS..Hα-helixtrans-60.7-44176.3-71.5-177.11.200112.3T53 T57 Q58 L59 P175T53-Q55 VanDerWaalsContact C-N 3.27Å; T53-Q55 PolarHBondContact O-N 3.45Å; Q55-T57 VanDerWaalsContact C-N 3.29Å; Q55-T57 PolarHBondContact O-N 3.34Å; Q55-Q58 PolarHBondContact O-N 3.07Å; Q55-L59 WeakPolarHBondContact O-CG 3.36Å; Q55-L59 PolarHBondContact O-N 2.92Å; Q55-L59 VanDerWaalsContact O-N 3.08Å; Q55-P175 HydrophobicContact CB-CB 4.39Å; Q55-P175 HydrophobicContact CB-CG 3.71Å; Q55-P175 HydrophobicContact CG-CG 3.9Å
56Q91.2Very high91.4Very high35 Ų3556.7 Ų56.716%0.16430%0.295CS..Hα-helixtrans-65.1-34.4174.2-71.1170.3-31.600111.8I27 Y47 G52 T53 E54 L59 A60 V180I27-Q56 HydrophobicContact CG2-CB 4.3Å; I27-Q56 HydrophobicContact CG2-CG 3.9Å; Y47-Q56 HydrophobicContact CE2-CB 4.04Å; Y47-Q56 WeakPolarHBondContact OH-CB 3.28Å; G52-Q56 VanDerWaalsContact CA-OE1 3.31Å; T53-Q56 PolarHBondContact O-N 3.16Å; T53-Q56 WeakPolarHBondContact OG1-CG 3.13Å; T53-Q56 PolarHBondContact OG1-N 3.22Å; T53-Q56 VanDerWaalsContact OG1-N 3.13Å; E54-Q56 PolarHBondContact O-N 2.99Å; Q56-L59 PolarHBondContact O-N 2.9Å; Q56-A60 WeakPolarHBondContact O-CB 3.25Å; Q56-A60 PolarHBondContact O-N 3.42Å; Q56-V180 HydrophobicContact CG-CG1 3.67Å
57T92.1Very high91.3Very high19 Ų1956.7 Ų56.712%0.11729%0.294CS..Hα-helixtrans-69.5-38.2177.7-55.90000111.7Y47 V49 T53 E54 Q55 K61Y47-T57 HydrophobicContact CE1-CG2 4.27Å; Y47-T57 WeakPolarHBondContact OH-CA 3.41Å; Y47-T57 PolarHBondContact OH-N 2.87Å; Y47-T57 PolarHBondContact OH-OG1 3.17Å; V49-T57 HydrophobicContact CG1-CG2 4.05Å; V49-T57 HydrophobicContact CG2-CG2 4.45Å; T53-T57 WeakPolarHBondContact O-CB 3.48Å; T53-T57 PolarHBondContact O-N 3.08Å; T53-T57 PolarHBondContact O-OG1 3.29Å; E54-T57 WeakPolarHBondContact O-CB 3.43Å; E54-T57 PolarHBondContact O-N 3.32Å; E54-T57 VanDerWaalsContact O-N 3.11Å; Q55-T57 VanDerWaalsContact C-N 3.29Å; Q55-T57 PolarHBondContact O-N 3.34Å; T57-K61 HydrophobicContact CG2-CD 4.28Å; T57-K61 WeakPolarHBondContact O-CB 3.4Å; T57-K61 WeakPolarHBondContact O-CG 3.48Å; T57-K61 PolarHBondContact O-N 3.32Å; T57-K61 VanDerWaalsContact O-N 3.08Å
58Q91Very high91.1Very high75 Ų7560.1 Ų60.135%0.3531%0.309SS..Hα-helixtrans-63.1-45.7172.7-68.8169.89.700110.9E54 Q55 K61 A62E54-Q58 WeakPolarHBondContact O-CG 3.39Å; E54-Q58 PolarHBondContact O-N 3.15Å; E54-Q58 PolarHBondContact OE1-NE2 3.28Å; Q55-Q58 PolarHBondContact O-N 3.07Å; Q58-K61 PolarHBondContact O-N 2.97Å; Q58-A62 WeakPolarHBondContact O-CB 3.43Å; Q58-A62 PolarHBondContact O-N 3.32Å
59L92.5Very high91Very high0 Ų060.7 Ų60.70%032%0.319CS..Hα-helixtrans-62.7-43.9175.5-69.9167000112.8I27 Q55 Q56 K61 A62 A63 D160 H161 L174 P175 V180I27-L59 HydrophobicContact CD1-CB 4.04Å; Q55-L59 WeakPolarHBondContact O-CG 3.36Å; Q55-L59 PolarHBondContact O-N 2.92Å; Q55-L59 VanDerWaalsContact O-N 3.08Å; Q56-L59 PolarHBondContact O-N 2.9Å; L59-K61 PolarHBondContact O-N 3.18Å; L59-A62 WeakPolarHBondContact O-CB 3.26Å; L59-A62 PolarHBondContact O-N 2.86Å; L59-A63 PolarHBondContact O-N 2.97Å; L59-D160 HydrophobicContact CB-CB 4.14Å; L59-D160 VanDerWaalsContact CD2-O 3.25Å; L59-D160 WeakPolarHBondContact CD2-O 3.47Å; L59-H161 VanDerWaalsContact CD1-CE1 3.48Å; L59-H161 WeakPolarHBondContact CD1-CE1 3.4Å; L59-L174 HydrophobicContact CD2-CB 4.15Å; L59-L174 HydrophobicContact CD2-CD2 4.42Å; L59-P175 HydrophobicContact CD1-CB 4.23Å; L59-P175 HydrophobicContact CD1-CG 4.28Å; L59-P175 HydrophobicContact CG-CG 4.28Å; L59-V180 HydrophobicContact CD1-CG2 3.63Å
60A93.4Very high91.1Very high0 Ų059.7 Ų59.70%031%0.312CS..Hα-helixtrans-61.1-43.9177.600000112I27 W28 Y47 Q56 F64 L88I27-A60 HydrophobicContact CD1-CB 4Å; W28-A60 HydrophobicContact CH2-CB 3.98Å; W28-A60 HydrophobicContact CZ2-CB 3.95Å; Y47-A60 HydrophobicContact CD1-CB 3.65Å; Y47-A60 HydrophobicContact CD2-CB 4.03Å; Y47-A60 HydrophobicContact CE1-CB 3.98Å; Y47-A60 HydrophobicContact CE2-CB 4.33Å; Y47-A60 HydrophobicContact CG-CB 3.68Å; Q56-A60 WeakPolarHBondContact O-CB 3.25Å; Q56-A60 PolarHBondContact O-N 3.42Å; A60-F64 VanDerWaalsContact O-CB 3.27Å; A60-F64 WeakPolarHBondContact O-CB 3.27Å; A60-F64 PolarHBondContact O-N 3.13Å; A60-L88 HydrophobicContact CB-CD2 4.28Å
61K92.6Very high91.2Very high89 Ų8961.6 Ų61.639%0.38730%0.298SS..Hα-helixtrans-66-35.8174.3-72.5169.5-176.4-860112.2T57 Q58 L59 K65 E83 L88T57-K61 HydrophobicContact CG2-CD 4.28Å; T57-K61 WeakPolarHBondContact O-CB 3.4Å; T57-K61 WeakPolarHBondContact O-CG 3.48Å; T57-K61 PolarHBondContact O-N 3.32Å; T57-K61 VanDerWaalsContact O-N 3.08Å; Q58-K61 PolarHBondContact O-N 2.97Å; L59-K61 PolarHBondContact O-N 3.18Å; K61-K65 WeakPolarHBondContact O-CB 3.43Å; K61-K65 PolarHBondContact O-N 3.5Å; K61-E83 IonicContact NZ-OE1 3.81Å; K61-E83 PolarHBondContact NZ-OE1 3.06Å; K61-L88 HydrophobicContact CG-CD2 3.92Å
62A91.2Very high91.6Very high21 Ų2156.1 Ų56.117%0.17427%0.272CS..Hα-helixtrans-64.3-52.317500000111.8Q58 L59 F64 K65 R66 L174Q58-A62 WeakPolarHBondContact O-CB 3.43Å; Q58-A62 PolarHBondContact O-N 3.32Å; L59-A62 WeakPolarHBondContact O-CB 3.26Å; L59-A62 PolarHBondContact O-N 2.86Å; A62-F64 PolarHBondContact O-N 3.49Å; A62-K65 PolarHBondContact O-N 3.31Å; A62-R66 WeakPolarHBondContact O-CG 3.35Å; A62-R66 PolarHBondContact O-N 3.19Å; A62-L174 HydrophobicContact CB-CD1 4.09Å; A62-L174 HydrophobicContact CB-CD2 4.01Å
63A93Very high92Very high1 Ų159 Ų591%0.00829%0.287CS..Hα-helixtrans-54.6-48.6174.100000112.1W28 L59 K65 R66 M67 D160W28-A63 HydrophobicContact CZ2-CB 3.94Å; L59-A63 PolarHBondContact O-N 2.97Å; A63-K65 VanDerWaalsContact C-N 3.29Å; A63-K65 PolarHBondContact O-N 2.9Å; A63-R66 PolarHBondContact O-N 3.03Å; A63-R66 VanDerWaalsContact O-N 3.11Å; A63-M67 PolarHBondContact O-N 3.49Å; A63-D160 HydrophobicContact CB-CB 4.12Å
64F93.1Very high92.3Very high7 Ų755.5 Ų55.53%0.03127%0.265CS..Hα-helixtrans-58.4-39.4179.4-174-113.4000112.6A60 A62 K68 G81 E83 L88 Y89 L90A60-F64 VanDerWaalsContact O-CB 3.27Å; A60-F64 WeakPolarHBondContact O-CB 3.27Å; A60-F64 PolarHBondContact O-N 3.13Å; A62-F64 PolarHBondContact O-N 3.49Å; F64-K68 HydrophobicContact CE1-CD 4.49Å; F64-K68 VanDerWaalsContact CZ-CE 3.41Å; F64-K68 WeakPolarHBondContact O-CG 3.46Å; F64-K68 PolarHBondContact O-N 2.92Å; F64-G81 WeakPolarHBondContact CZ-O 3.48Å; F64-E83 HydrophobicContact CE1-CB 3.71Å; F64-E83 HydrophobicContact CZ-CB 3.98Å; F64-L88 HydrophobicContact CB-CD2 4.13Å; F64-L88 HydrophobicContact CD1-CD2 4.46Å; F64-L88 HydrophobicContact CG-CD2 4.27Å; F64-Y89 WeakPolarHBondContact CE2-O 3.37Å; F64-L90 HydrophobicContact CD2-CB 4.43Å
65K91.9Very high92.7Very high155 Ų15548.7 Ų48.767%0.67423%0.234SC*.Hα-helixtrans-69-44.8172.9-173.8-179.4177.9-174.70112.1K61 A62 A63 K68 T69K61-K65 WeakPolarHBondContact O-CB 3.43Å; K61-K65 PolarHBondContact O-N 3.5Å; A62-K65 PolarHBondContact O-N 3.31Å; A63-K65 VanDerWaalsContact C-N 3.29Å; A63-K65 PolarHBondContact O-N 2.9Å; K65-K68 PolarHBondContact O-N 3.39Å; K65-T69 PolarHBondContact O-OG1 3.01Å
66R90.9Very high93.1Very high60 Ų6044.7 Ų44.723%0.22622%0.215CC..Hα-helixtrans-63.6-46-178.8-71.3-63.1-163.7172.95.5112.4A62 A63 K68 T69 L70 L159 L162A62-R66 WeakPolarHBondContact O-CG 3.35Å; A62-R66 PolarHBondContact O-N 3.19Å; A63-R66 PolarHBondContact O-N 3.03Å; A63-R66 VanDerWaalsContact O-N 3.11Å; R66-K68 VanDerWaalsContact C-N 3.3Å; R66-K68 PolarHBondContact O-N 2.88Å; R66-T69 PolarHBondContact O-N 3.22Å; R66-T69 PolarHBondContact O-OG1 3.03Å; R66-L70 HydrophobicContact CB-CD1 4.23Å; R66-L70 PolarHBondContact O-N 2.93Å; R66-L159 HydrophobicContact CB-CB 4.41Å; R66-L162 HydrophobicContact CB-CD2 4.31Å; R66-L162 HydrophobicContact CG-CB 4.41Å; R66-L162 HydrophobicContact CG-CD2 3.91Å; R66-L162 PolarHBondContact NE-O 3.4Å; R66-L162 PolarHBondContact NH2-O 2.96Å
67M92.4Very high93.3Very high8 Ų844.9 Ų44.94%0.03922%0.223CC..Hα-helixtrans-66-30178.9-73-172.970.600112.8A63 T69 R71 L76 Y78 L90 T92 L159A63-M67 PolarHBondContact O-N 3.49Å; M67-T69 PolarHBondContact O-N 2.95Å; M67-R71 PolarHBondContact O-NH1 3.17Å; M67-L76 HydrophobicContact CE-CB 4.2Å; M67-L76 HydrophobicContact CE-CD2 4.04Å; M67-L76 HydrophobicContact CE-CG 4.01Å; M67-L76 WeakPolarHBondContact CE-O 3.28Å; M67-Y78 HydrophobicContact CB-CD2 4.3Å; M67-Y78 WeakPolarHBondContact O-CB 3.46Å; M67-L90 HydrophobicContact CB-CD1 4.34Å; M67-L90 HydrophobicContact CE-CD1 4.19Å; M67-L90 HydrophobicContact CE-CD2 4.15Å; M67-L90 HydrophobicContact SD-CD1 4.12Å; M67-L90 HydrophobicContact SD-CD2 3.53Å; M67-L90 VanDerWaalsContact SD-CD2 3.53Å; M67-L90 HydrophobicContact SD-CG 4.39Å; M67-T92 HydrophobicContact CE-CG2 3.85Å; M67-L159 HydrophobicContact CG-CD1 3.71Å; M67-L159 HydrophobicContact CG-CG 4.26Å
68K91.9Very high93.4Very high79 Ų7946 Ų4634%0.34323%0.226SC..Hα-helixtrans-62.3-29.3170.6-75.9178.1-174.3-156.80112.9F64 K65 R66 R71 Y78 G81F64-K68 HydrophobicContact CE1-CD 4.49Å; F64-K68 VanDerWaalsContact CZ-CE 3.41Å; F64-K68 WeakPolarHBondContact O-CG 3.46Å; F64-K68 PolarHBondContact O-N 2.92Å; K65-K68 PolarHBondContact O-N 3.39Å; R66-K68 VanDerWaalsContact C-N 3.3Å; R66-K68 PolarHBondContact O-N 2.88Å; K68-R71 PolarHBondContact O-NH1 3.49Å; K68-R71 PolarHBondContact O-NH2 3.44Å; K68-Y78 HydrophobicContact CD-CE2 4.29Å; K68-Y78 VanDerWaalsContact CE-OH 3.24Å; K68-Y78 WeakPolarHBondContact CE-OH 3.48Å; K68-Y78 HydrophobicContact CG-CD2 4.01Å; K68-Y78 HydrophobicContact CG-CE1 4.17Å; K68-Y78 HydrophobicContact CG-CE2 3.48Å; K68-Y78 VanDerWaalsContact CG-CE2 3.48Å; K68-G81 PolarHBondContact NZ-O 3.48Å
69T91.2Very high93.6Very high100 Ų10045.8 Ų45.861%0.61323%0.229SC*.Hα-helixtrans-100.8-34.4-175.851.60000116.2K65 R66 M67K65-T69 PolarHBondContact O-OG1 3.01Å; R66-T69 PolarHBondContact O-N 3.22Å; R66-T69 PolarHBondContact O-OG1 3.03Å; M67-T69 PolarHBondContact O-N 2.95Å
70L93.4Very high93.7Very high21 Ų2148.7 Ų48.711%0.1125%0.245CC..  trans-81.9133.3-173.5-73.1163.9000111.7R66 F129 L130 L136 L159 L162R66-L70 HydrophobicContact CB-CD1 4.23Å; R66-L70 PolarHBondContact O-N 2.93Å; L70-F129 HydrophobicContact CD2-CE1 4.43Å; L70-L130 HydrophobicContact CD1-CD2 4.39Å; L70-L130 HydrophobicContact CD2-CD2 4.39Å; L70-L136 HydrophobicContact CD2-CD1 4.19Å; L70-L159 HydrophobicContact CD1-CD1 3.83Å; L70-L162 HydrophobicContact CD1-CD2 3.54Å
71R93.3Very high93.7Very high138 Ų13849.1 Ų49.152%0.52125%0.249SC..  trans-138.2114.6179.6-64.4-65.8179-81-5.8109.7M67 K68M67-R71 PolarHBondContact O-NH1 3.17Å; K68-R71 PolarHBondContact O-NH1 3.49Å; K68-R71 PolarHBondContact O-NH2 3.44Å
72H95.3Very high93.8Very high33 Ų3346.5 Ų46.515%0.15324%0.24CC..  trans-156.8141.2175.9178.6-100.2000108.1N74 I75 F129H72-N74 PolarHBondContact CE1-OD1 3.21Å; H72-N74 PolarHBondContact ND1-N 3.48Å; H72-N74 PolarHBondContact O-N 2.9Å; H72-N74 VanDerWaalsContact O-N 3.08Å; H72-I75 HydrophobicContact CB-CB 4.15Å; H72-I75 HydrophobicContact CB-CD1 3.91Å; H72-I75 HydrophobicContact CB-CG1 3.96Å; H72-I75 PolarHBondContact O-N 3.34Å; H72-F129 HydrophobicContact CB-CD1 3.78Å; H72-F129 HydrophobicContact CB-CE1 3.72Å; H72-F129 HydrophobicContact CB-CG 4.32Å; H72-F129 HydrophobicContact CB-CZ 4.22Å; H72-F129 AromaticContact CD2-CD2 3.93Å; H72-F129 AromaticContact CD2-CG 3.67Å; H72-F129 AromaticContact CG-CD1 3.86Å
73P94.4Very high93.8Very high83 Ų8349.7 Ų49.754%0.53925%0.251SS..THydrogen-bonded Turntrans-58.3-26.5-173.6-27.436.3000115.2
74N97Very high93.7Very high0 Ų051 Ų510%026%0.259CS..THydrogen-bonded Turntrans-10718.1-179.7-37.8111.1000112.7H72 Q122 K125 A126 L156H72-N74 PolarHBondContact CE1-OD1 3.21Å; H72-N74 PolarHBondContact ND1-N 3.48Å; H72-N74 PolarHBondContact O-N 2.9Å; H72-N74 VanDerWaalsContact O-N 3.08Å; N74-Q122 HydrophobicContact CB-CB 4.06Å; N74-Q122 WeakPolarHBondContact CB-O 3.43Å; N74-Q122 WeakPolarHBondContact ND2-CG 3.32Å; N74-Q122 PolarHBondContact ND2-NE2 3.15Å; N74-Q122 VanDerWaalsContact ND2-NE2 3.11Å; N74-K125 WeakPolarHBondContact OD1-CD 3.47Å; N74-A126 HydrophobicContact CB-CB 4.14Å; N74-A126 WeakPolarHBondContact O-CB 3.33Å; N74-L156 PolarHBondContact O-N 3.35Å
75I97Very high93.4Very high6 Ų658.6 Ų58.63%0.03130%0.3CS..BIsolated β-bridgetrans-110.7138.4166-68180000107.5H72 A77 A126 F129 L130 L156 L159H72-I75 HydrophobicContact CB-CB 4.15Å; H72-I75 HydrophobicContact CB-CD1 3.91Å; H72-I75 HydrophobicContact CB-CG1 3.96Å; H72-I75 PolarHBondContact O-N 3.34Å; I75-A77 PolarHBondContact O-N 3.34Å; I75-A77 VanDerWaalsContact O-N 3.17Å; I75-A126 HydrophobicContact CG1-CB 4.11Å; I75-F129 HydrophobicContact CD1-CD1 3.85Å; I75-F129 HydrophobicContact CD1-CE1 3.99Å; I75-L130 HydrophobicContact CD1-CD2 3.91Å; I75-L130 HydrophobicContact CD1-CG 4.15Å; I75-L156 WeakPolarHBondContact CA-O 3.43Å; I75-L156 HydrophobicContact CG1-CB 4.37Å; I75-L159 HydrophobicContact CG2-CD1 4.1Å
76L95.6Very high93.4Very high8 Ų859.1 Ų59.14%0.04230%0.302CS..  trans-53.7117.3-174.1-179.161.4000111.7F45 M67 Y78 T92 E93 V95 F147 K155 L156F45-L76 HydrophobicContact CE2-CD2 3.87Å; F45-L76 HydrophobicContact CZ-CD2 3.84Å; M67-L76 HydrophobicContact CE-CB 4.2Å; M67-L76 HydrophobicContact CE-CD2 4.04Å; M67-L76 HydrophobicContact CE-CG 4.01Å; M67-L76 WeakPolarHBondContact CE-O 3.28Å; L76-Y78 PolarHBondContact O-N 3.43Å; L76-T92 HydrophobicContact CD1-CG2 4.34Å; L76-T92 HydrophobicContact CD2-CG2 4Å; L76-T92 HydrophobicContact CG-CG2 3.87Å; L76-E93 HydrophobicContact CD1-CG 4.17Å; L76-V95 HydrophobicContact CD1-CB 4.34Å; L76-V95 HydrophobicContact CD1-CG1 3.64Å; L76-V95 HydrophobicContact CD1-CG2 3.77Å; L76-F147 HydrophobicContact CD2-CD2 4.09Å; L76-F147 HydrophobicContact CD2-CE2 4.32Å; L76-F147 HydrophobicContact CD2-CG 4.4Å; L76-K155 HydrophobicContact CB-CB 4.22Å; L76-K155 HydrophobicContact CD1-CB 4.4Å; L76-L156 PolarHBondContact N-O 3.18Å
77A95.3Very high93.4Very high40 Ų4056.8 Ų56.833%0.33130%0.295SS..  trans-71.7115-168.500000112.1I75 V79 T92 E93I75-A77 PolarHBondContact O-N 3.34Å; I75-A77 VanDerWaalsContact O-N 3.17Å; A77-V79 PolarHBondContact O-N 3.34Å; A77-T92 WeakPolarHBondContact O-CA 3.46Å; A77-T92 VanDerWaalsContact O-CB 3.29Å; A77-T92 WeakPolarHBondContact O-CB 3.49Å; A77-E93 HydrophobicContact CB-CB 4.42Å; A77-E93 HydrophobicContact CB-CG 4.32Å; A77-E93 VanDerWaalsContact CB-OE1 3.27Å; A77-E93 WeakPolarHBondContact CB-OE1 3.2Å; A77-E93 PolarHBondContact N-OE1 3.25Å; A77-E93 PolarHBondContact O-N 2.83Å
78Y95.4Very high93.5Very high43 Ų4356.4 Ų56.417%0.16929%0.293CS..EExtended strand (participates in β ladder)trans-65.3122.8167.9174.9-84.5000110.3M67 K68 L76 D80 G81 L90M67-Y78 HydrophobicContact CB-CD2 4.3Å; M67-Y78 WeakPolarHBondContact O-CB 3.46Å; K68-Y78 HydrophobicContact CD-CE2 4.29Å; K68-Y78 VanDerWaalsContact CE-OH 3.24Å; K68-Y78 WeakPolarHBondContact CE-OH 3.48Å; K68-Y78 HydrophobicContact CG-CD2 4.01Å; K68-Y78 HydrophobicContact CG-CE1 4.17Å; K68-Y78 HydrophobicContact CG-CE2 3.48Å; K68-Y78 VanDerWaalsContact CG-CE2 3.48Å; L76-Y78 PolarHBondContact O-N 3.43Å; Y78-D80 VanDerWaalsContact CE2-O 3.29Å; Y78-D80 WeakPolarHBondContact CE2-O 3.46Å; Y78-D80 WeakPolarHBondContact OH-CA 3.39Å; Y78-G81 PolarHBondContact OH-N 2.66Å; Y78-L90 HydrophobicContact CD2-CD1 3.68Å; Y78-L90 HydrophobicContact CE2-CD1 4.05Å
79V94.9Very high93.7Very high70 Ų7054.2 Ų54.242%0.42428%0.283SS..EExtended strand (participates in β ladder)trans-101.1-51.9174.4174.70000110.1A77 V91A77-V79 PolarHBondContact O-N 3.34Å; V79-V91 HydrophobicContact CB-CG1 4.3Å; V79-V91 HydrophobicContact CG1-CG1 4.43Å; V79-V91 PolarHBondContact N-O 3.21Å
80D94.6Very high93.9Very high60 Ų6049.6 Ų49.632%0.32125%0.254SS..EExtended strand (participates in β ladder)trans-160.3175.2-177.6-153.1-15.3000111.1Y15 Y78 V91Y15-D80 HydrophobicContact CE2-CB 3.62Å; Y15-D80 WeakPolarHBondContact CE2-OD2 3.29Å; Y15-D80 WeakPolarHBondContact OH-CB 3.48Å; Y15-D80 PolarHBondContact OH-OD2 2.87Å; Y78-D80 VanDerWaalsContact CE2-O 3.29Å; Y78-D80 WeakPolarHBondContact CE2-O 3.46Å; Y78-D80 WeakPolarHBondContact OH-CA 3.39Å; D80-V91 HydrophobicContact CB-CB 4.16Å; D80-V91 HydrophobicContact CB-CG2 4.36Å; D80-V91 PolarHBondContact N-O 2.93Å; D80-V91 WeakPolarHBondContact O-CA 3.41Å; D80-V91 WeakPolarHBondContact O-CB 3.27Å; D80-V91 PolarHBondContact O-N 2.85Å
81G93.9Very high94Very high10 Ų1048.6 Ų48.610%0.10325%0.249CC..EExtended strand (participates in β ladder)trans178.4130.2177.500000115.6F64 K68 Y78 Y89F64-G81 WeakPolarHBondContact CZ-O 3.48Å; K68-G81 PolarHBondContact NZ-O 3.48Å; Y78-G81 PolarHBondContact OH-N 2.66Å; G81-Y89 CarbonylContact C-O 3.57Å; G81-Y89 WeakPolarHBondContact CA-O 3.48Å
82L93.6Very high94.1Very high34 Ų3442 Ų4218%0.17822%0.224CC..EExtended strand (participates in β ladder)trans-108.7125.9-176.8173.365.1000110.4P9 V10 F13 T84 Y89P9-L82 HydrophobicContact CB-CD1 3.82Å; P9-L82 HydrophobicContact CB-CD2 4.12Å; V10-L82 HydrophobicContact CG2-CD2 4.41Å; F13-L82 HydrophobicContact CB-CD2 4.2Å; F13-L82 HydrophobicContact CD2-CB 3.82Å; F13-L82 HydrophobicContact CD2-CD2 3.86Å; F13-L82 HydrophobicContact CD2-CG 4.48Å; F13-L82 HydrophobicContact CE2-CB 3.78Å; F13-L82 HydrophobicContact CG-CD2 4.19Å; L82-T84 HydrophobicContact CD1-CG2 4.27Å; L82-T84 HydrophobicContact CD2-CG2 4.16Å; L82-T84 HydrophobicContact CG-CG2 3.96Å; L82-Y89 HydrophobicContact CB-CD2 4.34Å; L82-Y89 HydrophobicContact CD2-CD2 4.2Å; L82-Y89 HydrophobicContact CG-CD2 4.33Å; L82-Y89 PolarHBondContact N-O 3.27Å; L82-Y89 PolarHBondContact O-N 3.29Å
83E92.6Very high94.1Very high88 Ų8842.7 Ų42.741%0.41123%0.228SC..EExtended strand (participates in β ladder)trans-104.6133.8170.9179.1168.4-170.300109.6K61 F64 L88K61-E83 IonicContact NZ-OE1 3.81Å; K61-E83 PolarHBondContact NZ-OE1 3.06Å; F64-E83 HydrophobicContact CE1-CB 3.71Å; F64-E83 HydrophobicContact CZ-CB 3.98Å; E83-L88 HydrophobicContact CB-CG 4.43Å; E83-L88 HydrophobicContact CG-CD1 4.09Å; E83-L88 HydrophobicContact CG-CG 4.08Å
84T90.2Very high94.2Very high28 Ų2840.9 Ų40.917%0.17221%0.212CC..  trans-136.4164.1175.170.70000109.8P9 L82 K86 S87P9-T84 HydrophobicContact CB-CG2 4.27Å; P9-T84 HydrophobicContact CG-CG2 4.43Å; L82-T84 HydrophobicContact CD1-CG2 4.27Å; L82-T84 HydrophobicContact CD2-CG2 4.16Å; L82-T84 HydrophobicContact CG-CG2 3.96Å; T84-K86 PolarHBondContact O-N 3.48Å; T84-K86 PolarHBondContact OG1-N 2.94Å; T84-S87 PolarHBondContact N-O 2.86Å; T84-S87 PolarHBondContact O-N 2.92Å; T84-S87 PolarHBondContact OG1-N 3.28Å; T84-S87 PolarHBondContact OG1-O 2.79Å
85D87.6Confident94.1Very high167 Ų16741.2 Ų41.289%0.89321%0.214SC*.SBendtrans-61-17.1177.9-52.6-46.4000113.8
86K90.2Very high94Very high165 Ų16543 Ų4372%0.71723%0.225SC*.SBendtrans-103.6-41.1-178.6-63.5-177.6-179.2179.50113.1V49 T84V49-K86 WeakPolarHBondContact CB-O 3.48Å; V49-K86 WeakPolarHBondContact CG2-O 3.27Å; V49-K86 PolarHBondContact N-O 3.33Å; T84-K86 PolarHBondContact O-N 3.48Å; T84-K86 PolarHBondContact OG1-N 2.94Å
87S92.4Very high94Very high12 Ų1243.1 Ų43.18%0.08423%0.227CC..EExtended strand (participates in β ladder)trans-149146.3-171.3-48.80000112.6Y47 T84Y47-S87 CarbonylContact O-C 3.23Å; Y47-S87 WeakPolarHBondContact O-CA 3.49Å; Y47-S87 WeakPolarHBondContact O-CB 3.37Å; T84-S87 PolarHBondContact N-O 2.86Å; T84-S87 PolarHBondContact O-N 2.92Å; T84-S87 PolarHBondContact OG1-N 3.28Å; T84-S87 PolarHBondContact OG1-O 2.79Å
88L94.5Very high94Very high0 Ų041.2 Ų41.20%021%0.211CC..EExtended strand (participates in β ladder)trans-101.1130.5166.4-80.566.8000108.7W28 V46 Y47 V49 A60 K61 F64 E83W28-L88 HydrophobicContact CH2-CB 4.4Å; W28-L88 HydrophobicContact CH2-CD2 4.48Å; W28-L88 HydrophobicContact CZ3-CB 4.16Å; V46-L88 WeakPolarHBondContact CA-O 3.31Å; Y47-L88 PolarHBondContact N-O 3.02Å; Y47-L88 PolarHBondContact O-N 2.76Å; V49-L88 HydrophobicContact CG2-CD1 4.03Å; A60-L88 HydrophobicContact CB-CD2 4.28Å; K61-L88 HydrophobicContact CG-CD2 3.92Å; F64-L88 HydrophobicContact CB-CD2 4.13Å; F64-L88 HydrophobicContact CD1-CD2 4.46Å; F64-L88 HydrophobicContact CG-CD2 4.27Å; E83-L88 HydrophobicContact CB-CG 4.43Å; E83-L88 HydrophobicContact CG-CD1 4.09Å; E83-L88 HydrophobicContact CG-CG 4.08Å
89Y94.6Very high93.9Very high32 Ų3241.8 Ų41.813%0.12522%0.221CC..EExtended strand (participates in β ladder)trans-114.8125.5174.5-58.6-92.8000108.9V10 F13 I17 F45 V46 F64 G81 L82V10-Y89 HydrophobicContact CG2-CE2 4.14Å; F13-Y89 HydrophobicContact CZ-CG 4.5Å; I17-Y89 HydrophobicContact CD1-CD1 3.99Å; I17-Y89 HydrophobicContact CD1-CE1 3.93Å; F45-Y89 WeakPolarHBondContact O-CA 3.42Å; V46-Y89 HydrophobicContact CG1-CD1 4.18Å; V46-Y89 HydrophobicContact CG1-CE1 3.93Å; V46-Y89 HydrophobicContact CG2-CD1 3.83Å; V46-Y89 HydrophobicContact CG2-CE1 4.07Å; F64-Y89 WeakPolarHBondContact CE2-O 3.37Å; G81-Y89 CarbonylContact C-O 3.57Å; G81-Y89 WeakPolarHBondContact CA-O 3.48Å; L82-Y89 HydrophobicContact CB-CD2 4.34Å; L82-Y89 HydrophobicContact CD2-CD2 4.2Å; L82-Y89 HydrophobicContact CG-CD2 4.33Å; L82-Y89 PolarHBondContact N-O 3.27Å; L82-Y89 PolarHBondContact O-N 3.29Å
90L95.4Very high93.8Very high4 Ų441 Ų412%0.02122%0.216CC..EExtended strand (participates in β ladder)trans-123.5120.3-17916470.8000108.3W28 V44 F45 F64 M67 Y78 T92W28-L90 HydrophobicContact CZ3-CB 4.39Å; V44-L90 CarbonylContact C-O 3.59Å; V44-L90 WeakPolarHBondContact CA-O 3.45Å; F45-L90 HydrophobicContact CB-CB 4.15Å; F45-L90 HydrophobicContact CB-CD2 4.12Å; F45-L90 HydrophobicContact CB-CG 4.38Å; F45-L90 HydrophobicContact CD2-CD2 4.34Å; F45-L90 HydrophobicContact CD2-CG 4.48Å; F45-L90 HydrophobicContact CG-CD2 4.36Å; F45-L90 PolarHBondContact N-O 2.91Å; F45-L90 PolarHBondContact O-N 3.41Å; F64-L90 HydrophobicContact CD2-CB 4.43Å; M67-L90 HydrophobicContact CB-CD1 4.34Å; M67-L90 HydrophobicContact CE-CD1 4.19Å; M67-L90 HydrophobicContact CE-CD2 4.15Å; M67-L90 HydrophobicContact SD-CD1 4.12Å; M67-L90 HydrophobicContact SD-CD2 3.53Å; M67-L90 VanDerWaalsContact SD-CD2 3.53Å; M67-L90 HydrophobicContact SD-CG 4.39Å; Y78-L90 HydrophobicContact CD2-CD1 3.68Å; Y78-L90 HydrophobicContact CE2-CD1 4.05Å; L90-T92 HydrophobicContact CG-CG2 4.41Å
91V96.3Very high93.8Very high0 Ų039.7 Ų39.70%021%0.208CC..EExtended strand (participates in β ladder)trans-108.2131.7-175.8-170.70000109.7F13 Y15 V42 S43 V44 V79 D80F13-V91 HydrophobicContact CE2-CG2 4.17Å; F13-V91 HydrophobicContact CZ-CG2 3.6Å; Y15-V91 HydrophobicContact CD1-CG1 3.96Å; Y15-V91 HydrophobicContact CD2-CG1 4.37Å; Y15-V91 HydrophobicContact CD2-CG2 3.81Å; Y15-V91 HydrophobicContact CE1-CG1 3.93Å; Y15-V91 HydrophobicContact CE2-CG1 4.36Å; Y15-V91 HydrophobicContact CE2-CG2 4.05Å; Y15-V91 HydrophobicContact CG-CG1 4.21Å; Y15-V91 HydrophobicContact CG-CG2 4.22Å; V42-V91 HydrophobicContact CB-CG1 3.82Å; V42-V91 HydrophobicContact CG1-CG1 4.05Å; V42-V91 HydrophobicContact CG2-CG1 3.92Å; S43-V91 WeakPolarHBondContact O-CA 3.34Å; V44-V91 HydrophobicContact CG1-CG2 4.49Å; V44-V91 HydrophobicContact CG2-CG1 4.44Å; V44-V91 HydrophobicContact CG2-CG2 4.39Å; V79-V91 HydrophobicContact CB-CG1 4.3Å; V79-V91 HydrophobicContact CG1-CG1 4.43Å; V79-V91 PolarHBondContact N-O 3.21Å; D80-V91 HydrophobicContact CB-CB 4.16Å; D80-V91 HydrophobicContact CB-CG2 4.36Å; D80-V91 PolarHBondContact N-O 2.93Å; D80-V91 WeakPolarHBondContact O-CA 3.41Å; D80-V91 WeakPolarHBondContact O-CB 3.27Å; D80-V91 PolarHBondContact O-N 2.85Å
92T96.1Very high93.7Very high0 Ų040.4 Ų40.40%021%0.21CC..EExtended strand (participates in β ladder)trans-128.9174.6-178.968.30000111.5V42 S43 F45 M67 L76 A77 L90V42-T92 WeakPolarHBondContact CB-O 3.36Å; S43-T92 WeakPolarHBondContact CB-OG1 3.45Å; S43-T92 PolarHBondContact N-O 2.75Å; S43-T92 PolarHBondContact O-N 3.09Å; F45-T92 HydrophobicContact CD2-CG2 4.11Å; F45-T92 HydrophobicContact CE2-CG2 3.92Å; M67-T92 HydrophobicContact CE-CG2 3.85Å; L76-T92 HydrophobicContact CD1-CG2 4.34Å; L76-T92 HydrophobicContact CD2-CG2 4Å; L76-T92 HydrophobicContact CG-CG2 3.87Å; A77-T92 WeakPolarHBondContact O-CA 3.46Å; A77-T92 VanDerWaalsContact O-CB 3.29Å; A77-T92 WeakPolarHBondContact O-CB 3.49Å; L90-T92 HydrophobicContact CG-CG2 4.41Å
93E94.9Very high93.6Very high47 Ų4745 Ų4522%0.2223%0.228CC..EExtended strand (participates in β ladder)trans-50.3152.6159.573.6-159129.600110.8L76 A77 V95 K155L76-E93 HydrophobicContact CD1-CG 4.17Å; A77-E93 HydrophobicContact CB-CB 4.42Å; A77-E93 HydrophobicContact CB-CG 4.32Å; A77-E93 VanDerWaalsContact CB-OE1 3.27Å; A77-E93 WeakPolarHBondContact CB-OE1 3.2Å; A77-E93 PolarHBondContact N-OE1 3.25Å; A77-E93 PolarHBondContact O-N 2.83Å; E93-V95 HydrophobicContact CG-CG1 3.68Å; E93-V95 PolarHBondContact O-N 3.4Å; E93-K155 WeakPolarHBondContact OE2-CE 3.45Å; E93-K155 IonicContact OE2-NZ 2.83Å
94Q95.3Very high93.5Very high44 Ų4442.7 Ų42.721%0.20622%0.224CC..  trans-69.8118.3178.9-168.3-171.917.400110.4P41 R150P41-Q94 HydrophobicContact CB-CB 4.45Å; Q94-R150 VanDerWaalsContact OE1-CZ 3.24Å
95V95.9Very high93.3Very high7 Ų742.5 Ų42.54%0.04222%0.221CC..EExtended strand (participates in β ladder)trans-134.9157.1178.8-60.60000112.6S43 L76 E93 F147 V148 D149S43-V95 PolarHBondContact OG-N 3.11Å; S43-V95 PolarHBondContact OG-O 2.93Å; L76-V95 HydrophobicContact CD1-CB 4.34Å; L76-V95 HydrophobicContact CD1-CG1 3.64Å; L76-V95 HydrophobicContact CD1-CG2 3.77Å; E93-V95 HydrophobicContact CG-CG1 3.68Å; E93-V95 PolarHBondContact O-N 3.4Å; V95-F147 HydrophobicContact CB-CB 3.86Å; V95-F147 HydrophobicContact CG1-CB 4.33Å; V95-F147 HydrophobicContact CG2-CB 3.77Å; V95-F147 HydrophobicContact CG2-CD1 3.85Å; V95-F147 HydrophobicContact CG2-CG 4.06Å; V95-V148 CarbonylContact C-O 3.59Å; V95-V148 VanDerWaalsContact CA-O 3.28Å; V95-V148 WeakPolarHBondContact CA-O 3.43Å; V95-D149 HydrophobicContact CG1-CB 4.22Å
96T94.9Very high93.2Very high45 Ų4537.6 Ų37.628%0.27620%0.204SC..EExtended strand (participates in β ladder)trans-114.4139.9170.9-54.40000109V100 F147 V148T96-V100 HydrophobicContact CG2-CB 3.94Å; T96-V100 HydrophobicContact CG2-CG1 3.84Å; T96-F147 CarbonylContact O-C 3.51Å; T96-F147 WeakPolarHBondContact O-CA 3.24Å; T96-V148 PolarHBondContact N-O 2.82Å; T96-V148 PolarHBondContact O-N 3.4Å
97P95.6Very high93Very high10 Ų1036.2 Ų36.27%0.06520%0.2CC..EExtended strand (participates in β ladder)trans-60.2142.5175.5-23.835.6000112.2E23 L30 S99 V100 H101 F147E23-P97 WeakPolarHBondContact OE2-CD 3.44Å; E23-P97 VanDerWaalsContact OE2-CG 3.27Å; E23-P97 WeakPolarHBondContact OE2-CG 3.4Å; L30-P97 HydrophobicContact CD2-CG 3.65Å; P97-S99 VanDerWaalsContact C-N 3.27Å; P97-S99 PolarHBondContact O-N 3.21Å; P97-V100 HydrophobicContact CB-CG2 4.31Å; P97-V100 HydrophobicContact CG-CG2 4.47Å; P97-V100 PolarHBondContact O-N 3.3Å; P97-H101 PolarHBondContact O-N 3.37Å; P97-F147 HydrophobicContact CB-CD1 4.44Å; P97-F147 HydrophobicContact CB-CE1 4.46Å; P97-F147 HydrophobicContact CG-CD1 4.33Å; P97-F147 HydrophobicContact CG-CE1 4.22Å
98L95.8Very high92.4Very high0 Ų043.1 Ų43.10%023%0.229CC..Hα-helixtrans-58.5-37.6-175178.362.9000113V100 H101 L102 I143 V146 V148 W154 L210 V214L98-V100 VanDerWaalsContact C-N 3.29Å; L98-V100 PolarHBondContact O-N 2.86Å; L98-H101 PolarHBondContact O-N 3.46Å; L98-L102 HydrophobicContact CD1-CD1 3.85Å; L98-L102 HydrophobicContact CD1-CD2 4.24Å; L98-L102 HydrophobicContact CD1-CG 3.7Å; L98-L102 HydrophobicContact CD2-CD1 4.3Å; L98-L102 HydrophobicContact CG-CD1 3.81Å; L98-L102 HydrophobicContact CG-CG 4.1Å; L98-L102 WeakPolarHBondContact O-CB 3.49Å; L98-L102 WeakPolarHBondContact O-CG 3.26Å; L98-L102 PolarHBondContact O-N 3.26Å; L98-I143 HydrophobicContact CB-CG1 4.41Å; L98-I143 HydrophobicContact CD2-CG1 4.18Å; L98-I143 HydrophobicContact CG-CG1 4.25Å; L98-V146 HydrophobicContact CB-CB 3.91Å; L98-V146 HydrophobicContact CB-CG1 4.02Å; L98-V146 VanDerWaalsContact CB-O 3.26Å; L98-V146 WeakPolarHBondContact CB-O 3.38Å; L98-V146 HydrophobicContact CD2-CB 3.72Å; L98-V146 HydrophobicContact CD2-CG1 3.72Å; L98-V146 HydrophobicContact CD2-CG2 4.35Å; L98-V146 HydrophobicContact CG-CB 4.44Å; L98-V146 HydrophobicContact CG-CG1 4.35Å; L98-V146 PolarHBondContact N-O 2.94Å; L98-V148 HydrophobicContact CB-CG2 4.33Å; L98-V148 HydrophobicContact CD1-CG2 3.62Å; L98-W154 HydrophobicContact CD1-CD2 4.02Å; L98-W154 HydrophobicContact CD1-CE3 4.41Å; L98-W154 HydrophobicContact CD1-CH2 3.92Å; L98-W154 HydrophobicContact CD1-CZ2 3.47Å; L98-W154 VanDerWaalsContact CD1-CZ2 3.47Å; L98-W154 HydrophobicContact CD1-CZ3 4.36Å; L98-W154 HydrophobicContact CD2-CD2 4.3Å; L98-W154 HydrophobicContact CD2-CE3 3.88Å; L98-W154 HydrophobicContact CD2-CH2 3.76Å; L98-W154 HydrophobicContact CD2-CZ2 4.19Å; L98-W154 HydrophobicContact CD2-CZ3 3.59Å; L98-W154 HydrophobicContact CG-CH2 4.48Å; L98-W154 HydrophobicContact CG-CZ2 4.48Å; L98-L210 HydrophobicContact CD2-CD1 4.33Å; L98-V214 HydrophobicContact CD2-CG2 4.13Å
99S93.2Very high91.5Very high55 Ų5546.9 Ų46.939%0.38527%0.268SS..Hα-helixtrans-61.5-34.6176.152.70000113.5P97 K103P97-S99 VanDerWaalsContact C-N 3.27Å; P97-S99 PolarHBondContact O-N 3.21Å; S99-K103 WeakPolarHBondContact O-CB 3.36Å; S99-K103 PolarHBondContact O-N 3.41Å
100V93.1Very high90.1Very high54 Ų5447.2 Ų47.233%0.32728%0.281SS..Hα-helixtrans-77-43.2176.6178.30000110.1T96 P97 L98 K103 A104T96-V100 HydrophobicContact CG2-CB 3.94Å; T96-V100 HydrophobicContact CG2-CG1 3.84Å; P97-V100 HydrophobicContact CB-CG2 4.31Å; P97-V100 HydrophobicContact CG-CG2 4.47Å; P97-V100 PolarHBondContact O-N 3.3Å; L98-V100 VanDerWaalsContact C-N 3.29Å; L98-V100 PolarHBondContact O-N 2.86Å; V100-K103 PolarHBondContact O-N 3.43Å; V100-A104 WeakPolarHBondContact O-CB 3.06Å; V100-A104 PolarHBondContact O-N 3.04Å
101H93.1Very high88.7Confident31 Ų3148.2 Ų48.214%0.14429%0.29CS..Hα-helixtrans-60.4-51.8176.3177.389000112.1P97 L98 K103 A104 Q105 V148P97-H101 PolarHBondContact O-N 3.37Å; L98-H101 PolarHBondContact O-N 3.46Å; H101-K103 VanDerWaalsContact C-N 3.28Å; H101-K103 PolarHBondContact O-N 3.08Å; H101-A104 PolarHBondContact O-N 2.59Å; H101-A104 VanDerWaalsContact O-N 3.12Å; H101-Q105 WeakPolarHBondContact O-CG 3.11Å; H101-Q105 PolarHBondContact O-N 2.85Å; H101-V148 HydrophobicContact CB-CB 4.29Å; H101-V148 HydrophobicContact CB-CG2 3.99Å
102L92.5Very high88Confident26 Ų2649.8 Ų49.814%0.13631%0.305CS..Hα-helixtrans-62.4-33.9179.3-69.6176.7000112.5L98 A106 A111 I143 V214L98-L102 HydrophobicContact CD1-CD1 3.85Å; L98-L102 HydrophobicContact CD1-CD2 4.24Å; L98-L102 HydrophobicContact CD1-CG 3.7Å; L98-L102 HydrophobicContact CD2-CD1 4.3Å; L98-L102 HydrophobicContact CG-CD1 3.81Å; L98-L102 HydrophobicContact CG-CG 4.1Å; L98-L102 WeakPolarHBondContact O-CB 3.49Å; L98-L102 WeakPolarHBondContact O-CG 3.26Å; L98-L102 PolarHBondContact O-N 3.26Å; L102-A106 WeakPolarHBondContact O-CB 3.45Å; L102-A106 PolarHBondContact O-N 3.01Å; L102-A111 HydrophobicContact CD2-CB 3.76Å; L102-I143 HydrophobicContact CD1-CD1 4.31Å; L102-V214 HydrophobicContact CD1-CG1 4.42Å; L102-V214 HydrophobicContact CD1-CG2 4.28Å
103K90.8Very high87.7Confident129 Ų12955.4 Ų55.456%0.56133%0.332SS*.Hα-helixtrans-65.6-46.1172.7-176.7177.6179.5-77.40111.6S99 V100 H101 Q105 A106 E107S99-K103 WeakPolarHBondContact O-CB 3.36Å; S99-K103 PolarHBondContact O-N 3.41Å; V100-K103 PolarHBondContact O-N 3.43Å; H101-K103 VanDerWaalsContact C-N 3.28Å; H101-K103 PolarHBondContact O-N 3.08Å; K103-Q105 VanDerWaalsContact C-N 3.32Å; K103-Q105 PolarHBondContact O-N 3.01Å; K103-A106 WeakPolarHBondContact O-CB 3.27Å; K103-A106 PolarHBondContact O-N 3.14Å; K103-E107 WeakPolarHBondContact CE-OE1 3.31Å; K103-E107 IonicContact NZ-OE1 2.73Å; K103-E107 PolarHBondContact NZ-OE1 2.92Å; K103-E107 WeakPolarHBondContact O-CG 3.15Å; K103-E107 PolarHBondContact O-N 3.04Å
104A90.4Very high87.5Confident41 Ų4155.4 Ų55.434%0.33933%0.333SS..Hα-helixtrans-64.9-33.9178.300000112.8V100 H101 K108V100-A104 WeakPolarHBondContact O-CB 3.06Å; V100-A104 PolarHBondContact O-N 3.04Å; H101-A104 PolarHBondContact O-N 2.59Å; H101-A104 VanDerWaalsContact O-N 3.12Å; A104-K108 WeakPolarHBondContact O-CG 3.3Å
105Q87.3Confident87.4Confident23 Ų2354.7 Ų54.711%0.10733%0.33CS..Hα-helixtrans-72.4-39.1171.9-62.1-66.15900111.7H101 K103 E107 K108 G109 G110 A111 E115H101-Q105 WeakPolarHBondContact O-CG 3.11Å; H101-Q105 PolarHBondContact O-N 2.85Å; K103-Q105 VanDerWaalsContact C-N 3.32Å; K103-Q105 PolarHBondContact O-N 3.01Å; Q105-E107 VanDerWaalsContact C-N 3.25Å; Q105-E107 PolarHBondContact O-N 2.89Å; Q105-K108 CarbonylContact O-C 3.58Å; Q105-K108 WeakPolarHBondContact O-CA 3.47Å; Q105-K108 WeakPolarHBondContact O-CB 3.35Å; Q105-K108 PolarHBondContact O-N 3.05Å; Q105-G109 PolarHBondContact O-N 3.04Å; Q105-G110 CarbonylContact O-C 3.58Å; Q105-G110 WeakPolarHBondContact O-CA 3.33Å; Q105-G110 PolarHBondContact O-N 3.27Å; Q105-A111 HydrophobicContact CB-CB 3.81Å; Q105-A111 HydrophobicContact CG-CB 4.17Å; Q105-E115 PolarHBondContact NE2-OE1 3.23Å; Q105-E115 PolarHBondContact NE2-OE2 3.47Å
106A85.6Confident87.4Confident65 Ų6554.9 Ų54.954%0.53733%0.331SS..Hα-helixtrans-59.2-35.5174.300000112.8L102 K103 K108 G109L102-A106 WeakPolarHBondContact O-CB 3.45Å; L102-A106 PolarHBondContact O-N 3.01Å; K103-A106 WeakPolarHBondContact O-CB 3.27Å; K103-A106 PolarHBondContact O-N 3.14Å; A106-K108 PolarHBondContact O-N 3.25Å; A106-G109 PolarHBondContact O-N 3.28Å
107E85.9Confident87.5Confident135 Ų13552.8 Ų52.863%0.63132%0.317SS*.THydrogen-bonded Turntrans-69.6-15.6173.6-72.1167.8-172.300113.7K103 Q105K103-E107 WeakPolarHBondContact CE-OE1 3.31Å; K103-E107 IonicContact NZ-OE1 2.73Å; K103-E107 PolarHBondContact NZ-OE1 2.92Å; K103-E107 WeakPolarHBondContact O-CG 3.15Å; K103-E107 PolarHBondContact O-N 3.04Å; Q105-E107 VanDerWaalsContact C-N 3.25Å; Q105-E107 PolarHBondContact O-N 2.89Å
108K79.8Confident87.6Confident158 Ų15852.5 Ų52.569%0.68732%0.315SS*.THydrogen-bonded Turntrans-101.4-0.7176-66.9173.9-178176.70114.5A104 Q105 A106A104-K108 WeakPolarHBondContact O-CG 3.3Å; Q105-K108 CarbonylContact O-C 3.58Å; Q105-K108 WeakPolarHBondContact O-CA 3.47Å; Q105-K108 WeakPolarHBondContact O-CB 3.35Å; Q105-K108 PolarHBondContact O-N 3.05Å; A106-K108 PolarHBondContact O-N 3.25Å
109G74.3Confident87.6Confident79 Ų7952.5 Ų52.581%0.81432%0.315SS*.THydrogen-bonded Turntrans123.6-9.8-177.300000115Q105 A106Q105-G109 PolarHBondContact O-N 3.04Å; A106-G109 PolarHBondContact O-N 3.28Å
110G66.2Low87.9Confident39 Ų3950 Ų5040%0.40230%0.298SS..  trans125.1153-177.400000112.2Q105Q105-G110 CarbonylContact O-C 3.58Å; Q105-G110 WeakPolarHBondContact O-CA 3.33Å; Q105-G110 PolarHBondContact O-N 3.27Å
111A65.9Low88.1Confident25 Ų2547.7 Ų47.721%0.20728%0.283CS..  trans-74.6140.4162.100000108.8L102 Q105 E115 I116L102-A111 HydrophobicContact CD2-CB 3.76Å; Q105-A111 HydrophobicContact CB-CB 3.81Å; Q105-A111 HydrophobicContact CG-CB 4.17Å; A111-E115 WeakPolarHBondContact CA-OE2 3.5Å; A111-I116 HydrophobicContact CB-CD1 4.2Å; A111-I116 HydrophobicContact CB-CG1 4.37Å
112G80.8Confident88.4Confident32 Ų3246.2 Ų46.233%0.3328%0.276SS..  trans-67.9143.9-179.500000111.8L114 E115 I116G112-L114 PolarHBondContact O-N 3.35Å; G112-L114 VanDerWaalsContact O-N 3.13Å; G112-E115 PolarHBondContact N-OE2 3.33Å; G112-E115 WeakPolarHBondContact O-CB 3.25Å; G112-E115 PolarHBondContact O-N 3.26Å; G112-I116 PolarHBondContact O-N 2.72Å; G112-I116 VanDerWaalsContact O-N 3.08Å
113E89.6Confident88.6Confident119 Ų11945 Ų4556%0.55627%0.27SS*.Hα-helixtrans-57-29.7172.1-68.3-161.5163.800111.6S117 F266E113-S117 VanDerWaalsContact O-CB 3.26Å; E113-S117 WeakPolarHBondContact O-CB 3.44Å; E113-S117 PolarHBondContact O-N 2.75Å; E113-S117 PolarHBondContact O-OG 2.75Å; E113-F266 HydrophobicContact CB-CE2 4.22Å; E113-F266 HydrophobicContact CB-CZ 4.37Å
114L92.3Very high89Confident47 Ų4738.8 Ų38.825%0.24624%0.243CC..Hα-helixtrans-61.3-50.3171.9-60.1-178.6000112.2G112 I116 S117 W118 N269 F271G112-L114 PolarHBondContact O-N 3.35Å; G112-L114 VanDerWaalsContact O-N 3.13Å; L114-I116 VanDerWaalsContact C-N 3.34Å; L114-I116 PolarHBondContact O-N 3.41Å; L114-S117 PolarHBondContact O-N 2.97Å; L114-S117 PolarHBondContact O-OG 3.34Å; L114-W118 PolarHBondContact O-N 2.83Å; L114-N269 HydrophobicContact CD2-CB 4.26Å; L114-F271 HydrophobicContact CB-CB 4.13Å; L114-F271 HydrophobicContact CB-CD1 3.8Å; L114-F271 HydrophobicContact CB-CE1 4.46Å; L114-F271 HydrophobicContact CB-CG 4.09Å; L114-F271 HydrophobicContact CD1-CB 4.24Å; L114-F271 HydrophobicContact CD2-CB 4.04Å; L114-F271 HydrophobicContact CG-CB 4.36Å; L114-F271 WeakPolarHBondContact O-CD1 3.47Å
115E93.3Very high89.4Confident29 Ų2939.5 Ų39.514%0.13624%0.238CC..Hα-helixtrans-57.8-47176.7-63.3178.612300111.1Q105 A111 G112 W118 G119 P304Q105-E115 PolarHBondContact NE2-OE1 3.23Å; Q105-E115 PolarHBondContact NE2-OE2 3.47Å; A111-E115 WeakPolarHBondContact CA-OE2 3.5Å; G112-E115 PolarHBondContact N-OE2 3.33Å; G112-E115 WeakPolarHBondContact O-CB 3.25Å; G112-E115 PolarHBondContact O-N 3.26Å; E115-W118 PolarHBondContact O-N 2.82Å; E115-G119 PolarHBondContact O-N 3.11Å; E115-P304 HydrophobicContact CG-CB 4.07Å; E115-P304 HydrophobicContact CG-CG 3.46Å; E115-P304 VanDerWaalsContact CG-CG 3.46Å
116I95.5Very high89.9Confident11 Ų1138.4 Ų38.46%0.05623%0.233CC..Hα-helixtrans-65.6-40.1179.5-68.5165.7000111.3A111 G112 L114 G119 L120 V214 F215 F266A111-I116 HydrophobicContact CB-CD1 4.2Å; A111-I116 HydrophobicContact CB-CG1 4.37Å; G112-I116 PolarHBondContact O-N 2.72Å; G112-I116 VanDerWaalsContact O-N 3.08Å; L114-I116 VanDerWaalsContact C-N 3.34Å; L114-I116 PolarHBondContact O-N 3.41Å; I116-G119 PolarHBondContact O-N 2.94Å; I116-L120 HydrophobicContact CG2-CD1 3.82Å; I116-L120 HydrophobicContact CG2-CG 4.22Å; I116-L120 WeakPolarHBondContact O-CB 3.48Å; I116-L120 VanDerWaalsContact O-CG 3.28Å; I116-L120 WeakPolarHBondContact O-CG 3.49Å; I116-L120 PolarHBondContact O-N 3.16Å; I116-V214 HydrophobicContact CB-CG1 4.44Å; I116-V214 HydrophobicContact CD1-CG1 4.15Å; I116-V214 HydrophobicContact CG1-CG1 4.03Å; I116-V214 HydrophobicContact CG2-CG1 3.58Å; I116-F215 HydrophobicContact CD1-CE1 4.1Å; I116-F215 HydrophobicContact CG2-CE1 3.92Å; I116-F215 HydrophobicContact CG2-CE2 4.07Å; I116-F215 HydrophobicContact CG2-CZ 3.45Å; I116-F215 VanDerWaalsContact CG2-CZ 3.45Å; I116-F266 HydrophobicContact CG2-CE1 4.25Å; I116-F266 HydrophobicContact CG2-CZ 4.31Å
117S96.5Very high90.4Very high0 Ų035.3 Ų35.30%021%0.208CC..Hα-helixtrans-62.8-47.9177.4750000111.5E113 L114 H121 L267 N269E113-S117 VanDerWaalsContact O-CB 3.26Å; E113-S117 WeakPolarHBondContact O-CB 3.44Å; E113-S117 PolarHBondContact O-N 2.75Å; E113-S117 PolarHBondContact O-OG 2.75Å; L114-S117 PolarHBondContact O-N 2.97Å; L114-S117 PolarHBondContact O-OG 3.34Å; S117-H121 WeakPolarHBondContact O-CB 3.49Å; S117-H121 PolarHBondContact O-N 3.49Å; S117-L267 WeakPolarHBondContact O-CD2 3.43Å; S117-N269 WeakPolarHBondContact CB-ND2 3.16Å; S117-N269 PolarHBondContact OG-ND2 3.18Å
118W97.1Very high91Very high4 Ų429.8 Ų29.82%0.01518%0.184CC..Hα-helixtrans-65.7-42.9177.2-178.1-119.7000111.8L114 E115 L120 H121 Q122 F271 V272 N275 L276 E279L114-W118 PolarHBondContact O-N 2.83Å; E115-W118 PolarHBondContact O-N 2.82Å; W118-L120 PolarHBondContact O-N 2.88Å; W118-H121 HydrophobicContact CE3-CB 4.25Å; W118-H121 AromaticContact CE3-ND1 3.66Å; W118-H121 AromaticContact CH2-CE1 3.96Å; W118-H121 AromaticContact CH2-ND1 3.67Å; W118-H121 AromaticContact CZ3-CE1 3.52Å; W118-H121 AromaticContact CZ3-CG 3.89Å; W118-H121 AromaticContact CZ3-ND1 3.11Å; W118-H121 WeakPolarHBondContact CZ3-ND1 3.41Å; W118-H121 WeakPolarHBondContact O-CB 3.16Å; W118-H121 PolarHBondContact O-N 2.97Å; W118-Q122 HydrophobicContact CD2-CG 4.07Å; W118-Q122 HydrophobicContact CH2-CG 4.2Å; W118-Q122 HydrophobicContact CZ2-CG 3.61Å; W118-Q122 VanDerWaalsContact NE1-NE2 3.16Å; W118-Q122 WeakPolarHBondContact O-CG 3.39Å; W118-Q122 PolarHBondContact O-N 3.18Å; W118-F271 HydrophobicContact CB-CD1 3.85Å; W118-F271 HydrophobicContact CB-CE1 3.51Å; W118-F271 HydrophobicContact CG-CE1 4.04Å; W118-V272 HydrophobicContact CE3-CB 4.38Å; W118-V272 HydrophobicContact CE3-CG1 4.13Å; W118-V272 HydrophobicContact CE3-CG2 4.3Å; W118-V272 HydrophobicContact CZ3-CG1 4.29Å; W118-N275 HydrophobicContact CD2-CB 3.59Å; W118-N275 VanDerWaalsContact CE2-CG 3.48Å; W118-N275 HydrophobicContact CE3-CB 3.58Å; W118-N275 HydrophobicContact CG-CB 4.41Å; W118-N275 HydrophobicContact CH2-CB 3.63Å; W118-N275 HydrophobicContact CZ2-CB 3.61Å; W118-N275 HydrophobicContact CZ3-CB 3.58Å; W118-N275 PolarHBondContact NE1-OD1 2.93Å; W118-L276 HydrophobicContact CH2-CD2 4.38Å; W118-L276 HydrophobicContact CH2-CG 4.48Å; W118-L276 HydrophobicContact CZ3-CD2 4.3Å; W118-L276 HydrophobicContact CZ3-CG 4.09Å; W118-E279 WeakPolarHBondContact CH2-OE1 3.43Å; W118-E279 WeakPolarHBondContact CZ2-OE1 3.49Å
119G97.4Very high91.8Very high0 Ų024.3 Ų24.30%016%0.16CC..Hα-helixtrans-60.6-44.9177.400000113.6E115 I116 Q122 I123E115-G119 PolarHBondContact O-N 3.11Å; I116-G119 PolarHBondContact O-N 2.94Å; G119-Q122 PolarHBondContact O-N 3.31Å; G119-I123 WeakPolarHBondContact O-CG1 3.43Å; G119-I123 PolarHBondContact O-N 2.9Å
120L98.1Very high92.9Very high4 Ų420.5 Ų20.52%0.02112%0.121CC..Hα-helixtrans-64.6-41.6173.3-72176.3000111.8I116 W118 Q122 I123 V124 W154 I211 F215 L235 F266I116-L120 HydrophobicContact CG2-CD1 3.82Å; I116-L120 HydrophobicContact CG2-CG 4.22Å; I116-L120 WeakPolarHBondContact O-CB 3.48Å; I116-L120 VanDerWaalsContact O-CG 3.28Å; I116-L120 WeakPolarHBondContact O-CG 3.49Å; I116-L120 PolarHBondContact O-N 3.16Å; W118-L120 PolarHBondContact O-N 2.88Å; L120-Q122 VanDerWaalsContact C-N 3.32Å; L120-Q122 PolarHBondContact O-N 3.17Å; L120-I123 PolarHBondContact O-N 3.4Å; L120-V124 WeakPolarHBondContact O-CB 3.32Å; L120-V124 WeakPolarHBondContact O-CG2 3.35Å; L120-V124 PolarHBondContact O-N 2.91Å; L120-W154 HydrophobicContact CD2-CZ3 4.02Å; L120-W154 HydrophobicContact CG-CZ3 4.28Å; L120-I211 HydrophobicContact CD1-CG1 4.11Å; L120-I211 HydrophobicContact CD2-CG1 3.67Å; L120-F215 HydrophobicContact CD1-CE2 4.23Å; L120-L235 HydrophobicContact CD1-CD2 4.2Å; L120-F266 HydrophobicContact CD1-CE1 4.26Å
121H98.3Very high94.3Very high4 Ų418.7 Ų18.72%0.01910%0.102CC..Hα-helixtrans-56-46.3173.8173.4-83.4000111.6S117 W118 V124 K125 L257 L267S117-H121 WeakPolarHBondContact O-CB 3.49Å; S117-H121 PolarHBondContact O-N 3.49Å; W118-H121 HydrophobicContact CE3-CB 4.25Å; W118-H121 AromaticContact CE3-ND1 3.66Å; W118-H121 AromaticContact CH2-CE1 3.96Å; W118-H121 AromaticContact CH2-ND1 3.67Å; W118-H121 AromaticContact CZ3-CE1 3.52Å; W118-H121 AromaticContact CZ3-CG 3.89Å; W118-H121 AromaticContact CZ3-ND1 3.11Å; W118-H121 WeakPolarHBondContact CZ3-ND1 3.41Å; W118-H121 WeakPolarHBondContact O-CB 3.16Å; W118-H121 PolarHBondContact O-N 2.97Å; H121-V124 PolarHBondContact O-N 3.19Å; H121-K125 VanDerWaalsContact O-CB 3.29Å; H121-K125 WeakPolarHBondContact O-CB 3.43Å; H121-K125 PolarHBondContact O-N 2.66Å; H121-L257 HydrophobicContact CB-CD1 4.31Å; H121-L257 WeakPolarHBondContact CD2-CD1 3.47Å; H121-L267 HydrophobicContact CB-CD1 4.22Å; H121-L267 HydrophobicContact CB-CD2 4.48Å
122Q98.2Very high95.7Very high0 Ų019.5 Ų19.50%010%0.103CC..Hα-helixtrans-64.6-42.6179-71.9-173.5-52.600113.2N74 W118 G119 L120 K125 A126 E153N74-Q122 HydrophobicContact CB-CB 4.06Å; N74-Q122 WeakPolarHBondContact CB-O 3.43Å; N74-Q122 WeakPolarHBondContact ND2-CG 3.32Å; N74-Q122 PolarHBondContact ND2-NE2 3.15Å; N74-Q122 VanDerWaalsContact ND2-NE2 3.11Å; W118-Q122 HydrophobicContact CD2-CG 4.07Å; W118-Q122 HydrophobicContact CH2-CG 4.2Å; W118-Q122 HydrophobicContact CZ2-CG 3.61Å; W118-Q122 VanDerWaalsContact NE1-NE2 3.16Å; W118-Q122 WeakPolarHBondContact O-CG 3.39Å; W118-Q122 PolarHBondContact O-N 3.18Å; G119-Q122 PolarHBondContact O-N 3.31Å; L120-Q122 VanDerWaalsContact C-N 3.32Å; L120-Q122 PolarHBondContact O-N 3.17Å; Q122-K125 WeakPolarHBondContact O-CB 3.48Å; Q122-K125 PolarHBondContact O-N 2.82Å; Q122-A126 PolarHBondContact O-N 3.09Å; Q122-E153 VanDerWaalsContact NE2-CD 3.26Å; Q122-E153 PolarHBondContact NE2-OE1 3.2Å; Q122-E153 VanDerWaalsContact NE2-OE1 3.17Å; Q122-E153 VanDerWaalsContact OE1-CA 3.29Å
123I98.5Very high96.4Very high0 Ų023.3 Ų23.30%012%0.116CC..Hα-helixtrans-71.6-36.1178.4-64.2-58.9000112.2G119 L120 K125 A126 L127 L141 V146 W154 L156 L210G119-I123 WeakPolarHBondContact O-CG1 3.43Å; G119-I123 PolarHBondContact O-N 2.9Å; L120-I123 PolarHBondContact O-N 3.4Å; I123-K125 VanDerWaalsContact C-N 3.34Å; I123-A126 PolarHBondContact O-N 3.49Å; I123-L127 WeakPolarHBondContact O-CB 3.36Å; I123-L127 PolarHBondContact O-N 2.66Å; I123-L141 HydrophobicContact CG2-CD1 4.22Å; I123-V146 HydrophobicContact CD1-CB 4.49Å; I123-V146 HydrophobicContact CD1-CG1 3.85Å; I123-V146 HydrophobicContact CD1-CG2 3.97Å; I123-V146 HydrophobicContact CG1-CG1 3.99Å; I123-V146 HydrophobicContact CG1-CG2 4.03Å; I123-V146 HydrophobicContact CG2-CG2 4.48Å; I123-W154 HydrophobicContact CD1-CB 4.12Å; I123-W154 HydrophobicContact CG1-CB 3.94Å; I123-W154 HydrophobicContact CG1-CE3 3.97Å; I123-L156 HydrophobicContact CD1-CB 3.91Å; I123-L210 HydrophobicContact CG2-CD2 3.9Å
124V98.2Very high96.6Very high0 Ų019.4 Ų19.40%010%0.102CC..Hα-helixtrans-65.3-39.4172.2176.90000111.1L120 H121 L127 S128 L207 P253 F256 L257L120-V124 WeakPolarHBondContact O-CB 3.32Å; L120-V124 WeakPolarHBondContact O-CG2 3.35Å; L120-V124 PolarHBondContact O-N 2.91Å; H121-V124 PolarHBondContact O-N 3.19Å; V124-L127 PolarHBondContact O-N 3.42Å; V124-S128 WeakPolarHBondContact O-CB 3.38Å; V124-S128 PolarHBondContact O-N 3.15Å; V124-L207 HydrophobicContact CG2-CD1 3.86Å; V124-L207 HydrophobicContact CG2-CD2 3.81Å; V124-L207 HydrophobicContact CG2-CG 4.45Å; V124-P253 HydrophobicContact CG1-CB 4.37Å; V124-P253 VanDerWaalsContact CG1-O 3.28Å; V124-P253 WeakPolarHBondContact CG1-O 3.33Å; V124-F256 HydrophobicContact CG1-CD1 4.05Å; V124-F256 HydrophobicContact CG2-CD1 3.95Å; V124-F256 HydrophobicContact CG2-CE1 3.93Å; V124-L257 HydrophobicContact CB-CD1 3.99Å; V124-L257 HydrophobicContact CG1-CB 3.75Å; V124-L257 HydrophobicContact CG1-CD1 3.89Å; V124-L257 HydrophobicContact CG1-CD2 4.35Å; V124-L257 HydrophobicContact CG1-CG 4.21Å
125K97.9Very high96.7Very high56 Ų5621.8 Ų21.824%0.24311%0.111CC..Hα-helixtrans-61.6-45174.3-176.5172.7169.7170.20111.5N74 H121 Q122 I123 S128 F129 L257 E279N74-K125 WeakPolarHBondContact OD1-CD 3.47Å; H121-K125 VanDerWaalsContact O-CB 3.29Å; H121-K125 WeakPolarHBondContact O-CB 3.43Å; H121-K125 PolarHBondContact O-N 2.66Å; Q122-K125 WeakPolarHBondContact O-CB 3.48Å; Q122-K125 PolarHBondContact O-N 2.82Å; I123-K125 VanDerWaalsContact C-N 3.34Å; K125-S128 PolarHBondContact O-N 3.02Å; K125-F129 PolarHBondContact O-N 3.32Å; K125-L257 HydrophobicContact CB-CD2 4.25Å; K125-E279 IonicContact NZ-OE1 3.54Å; K125-E279 IonicContact NZ-OE2 3.66Å; K125-E279 PolarHBondContact NZ-OE2 3.03Å
126A97.9Very high96.7Very high0 Ų021 Ų210%011%0.108CC..Hα-helixtrans-61.2-43.2172.800000113.1N74 I75 Q122 I123 F129 L130 L156N74-A126 HydrophobicContact CB-CB 4.14Å; N74-A126 WeakPolarHBondContact O-CB 3.33Å; I75-A126 HydrophobicContact CG1-CB 4.11Å; Q122-A126 PolarHBondContact O-N 3.09Å; I123-A126 PolarHBondContact O-N 3.49Å; A126-F129 PolarHBondContact O-N 3.08Å; A126-L130 PolarHBondContact O-N 3.02Å; A126-L156 HydrophobicContact CB-CB 4.03Å; A126-L156 HydrophobicContact CB-CD2 3.91Å
127L97.6Very high96.6Very high0 Ų021.9 Ų21.90%011%0.112CC..Hα-helixtrans-66.9-38.9179.2-167.765.1000111.9I123 V124 L130 V131 H138 L141 E203 L207 P253I123-L127 WeakPolarHBondContact O-CB 3.36Å; I123-L127 PolarHBondContact O-N 2.66Å; V124-L127 PolarHBondContact O-N 3.42Å; L127-L130 PolarHBondContact O-N 3.27Å; L127-V131 WeakPolarHBondContact O-CB 3.39Å; L127-V131 WeakPolarHBondContact O-CG2 3.28Å; L127-V131 PolarHBondContact O-N 2.99Å; L127-H138 HydrophobicContact CD1-CB 4.44Å; L127-L141 HydrophobicContact CD1-CD2 4.13Å; L127-L141 HydrophobicContact CD2-CD2 3.85Å; L127-E203 HydrophobicContact CD1-CB 4.28Å; L127-E203 HydrophobicContact CD2-CB 4.45Å; L127-L207 HydrophobicContact CD2-CB 4.12Å; L127-L207 HydrophobicContact CD2-CD2 4.25Å; L127-P253 HydrophobicContact CD2-CG 4.21Å; L127-P253 HydrophobicContact CG-CG 4.15Å
128S97.5Very high96.4Very high19 Ų1921.9 Ų21.913%0.13311%0.112CC..Hα-helixtrans-58.5-48.2171.2-179.10000111.3V124 K125 L130 V131 N132V124-S128 WeakPolarHBondContact O-CB 3.38Å; V124-S128 PolarHBondContact O-N 3.15Å; K125-S128 PolarHBondContact O-N 3.02Å; S128-L130 PolarHBondContact O-N 2.88Å; S128-V131 PolarHBondContact O-N 2.92Å; S128-N132 VanDerWaalsContact O-CB 3.22Å; S128-N132 WeakPolarHBondContact O-CB 3.24Å; S128-N132 PolarHBondContact O-N 2.94Å; S128-N132 PolarHBondContact OG-ND2 3.19Å
129F97.4Very high96.2Very high42 Ų4223.9 Ų23.918%0.18412%0.123CC..Iπ-helixtrans-59.8-42.6178.6168.3-100.6000112.7L70 H72 I75 K125 A126 D133 C134L70-F129 HydrophobicContact CD2-CE1 4.43Å; H72-F129 HydrophobicContact CB-CD1 3.78Å; H72-F129 HydrophobicContact CB-CE1 3.72Å; H72-F129 HydrophobicContact CB-CG 4.32Å; H72-F129 HydrophobicContact CB-CZ 4.22Å; H72-F129 AromaticContact CD2-CD2 3.93Å; H72-F129 AromaticContact CD2-CG 3.67Å; H72-F129 AromaticContact CG-CD1 3.86Å; I75-F129 HydrophobicContact CD1-CD1 3.85Å; I75-F129 HydrophobicContact CD1-CE1 3.99Å; K125-F129 PolarHBondContact O-N 3.32Å; A126-F129 PolarHBondContact O-N 3.08Å; F129-D133 WeakPolarHBondContact CA-OD2 3.49Å; F129-D133 HydrophobicContact CD2-CB 3.98Å; F129-D133 HydrophobicContact CE2-CB 4.39Å; F129-D133 WeakPolarHBondContact O-CB 3.06Å; F129-D133 PolarHBondContact O-N 2.84Å; F129-D133 VanDerWaalsContact O-N 3.15Å; F129-C134 WeakPolarHBondContact CE1-SG 3.44Å; F129-C134 WeakPolarHBondContact CZ-SG 3.24Å; F129-C134 PolarHBondContact O-N 2.95Å
130L96.3Very high95.9Very high0 Ų024.5 Ų24.50%013%0.127CC..Iπ-helixtrans-63.2-50.6176.4-70.4176.5000112.1L70 I75 A126 L127 S128 C134 H135 L136 L156 L162L70-L130 HydrophobicContact CD1-CD2 4.39Å; L70-L130 HydrophobicContact CD2-CD2 4.39Å; I75-L130 HydrophobicContact CD1-CD2 3.91Å; I75-L130 HydrophobicContact CD1-CG 4.15Å; A126-L130 PolarHBondContact O-N 3.02Å; L127-L130 PolarHBondContact O-N 3.27Å; S128-L130 PolarHBondContact O-N 2.88Å; L130-C134 CarbonylContact O-C 3.47Å; L130-C134 WeakPolarHBondContact O-CB 3.36Å; L130-C134 PolarHBondContact O-N 3.31Å; L130-H135 PolarHBondContact O-N 3.35Å; L130-L136 CarbonylContact C-O 3.5Å; L130-L136 VanDerWaalsContact C-O 3.23Å; L130-L136 PolarHBondContact O-N 2.61Å; L130-L136 VanDerWaalsContact O-O 3.13Å; L130-L156 HydrophobicContact CD1-CD2 3.71Å; L130-L162 HydrophobicContact CD1-CD1 4.03Å; L130-L162 HydrophobicContact CD2-CD1 4.13Å
131V95.3Very high95.7Very high0 Ų024.3 Ų24.30%013%0.126CC..Iπ-helixtrans-71.4-50.3-175.3168.60000112.4L127 S128 H135 L137 W200 E203L127-V131 WeakPolarHBondContact O-CB 3.39Å; L127-V131 WeakPolarHBondContact O-CG2 3.28Å; L127-V131 PolarHBondContact O-N 2.99Å; S128-V131 PolarHBondContact O-N 2.92Å; V131-H135 PolarHBondContact O-ND1 3.02Å; V131-L137 HydrophobicContact CG2-CD2 4.43Å; V131-W200 HydrophobicContact CG1-CB 3.82Å; V131-W200 HydrophobicContact CG1-CE3 4.41Å; V131-E203 HydrophobicContact CG2-CG 4.4Å
132N95.8Very high95.5Very high42 Ų4224.1 Ų24.123%0.22513%0.125CC..Iπ-helixtrans-87-41.5-168.6-64-38.4000112.1S128 H135 N252S128-N132 VanDerWaalsContact O-CB 3.22Å; S128-N132 WeakPolarHBondContact O-CB 3.24Å; S128-N132 PolarHBondContact O-N 2.94Å; S128-N132 PolarHBondContact OG-ND2 3.19Å; N132-H135 PolarHBondContact O-CE1 3.49Å; N132-H135 PolarHBondContact O-ND1 2.85Å; N132-N252 PolarHBondContact ND2-OD1 3.41Å; N132-N252 PolarHBondContact OD1-ND2 2.96Å
133D95.4Very high95.3Very high112 Ų11225.2 Ų25.260%0.59913%0.13SC*.Iπ-helixtrans-100.4-33.5-170.7-48.3-33.7000112.4F129F129-D133 WeakPolarHBondContact CA-OD2 3.49Å; F129-D133 HydrophobicContact CD2-CB 3.98Å; F129-D133 HydrophobicContact CE2-CB 4.39Å; F129-D133 WeakPolarHBondContact O-CB 3.06Å; F129-D133 PolarHBondContact O-N 2.84Å; F129-D133 VanDerWaalsContact O-N 3.15Å
134C94.1Very high95.1Very high38 Ų3827.2 Ų27.226%0.25714%0.138SC..SBendtrans-97.1-18.1178.4-61.10000114.5F129 L130 L136F129-C134 WeakPolarHBondContact CE1-SG 3.44Å; F129-C134 WeakPolarHBondContact CZ-SG 3.24Å; F129-C134 PolarHBondContact O-N 2.95Å; L130-C134 CarbonylContact O-C 3.47Å; L130-C134 WeakPolarHBondContact O-CB 3.36Å; L130-C134 PolarHBondContact O-N 3.31Å; C134-L136 VanDerWaalsContact C-N 3.29Å; C134-L136 HydrophobicContact CB-CB 4.3Å; C134-L136 HydrophobicContact CB-CD1 3.8Å; C134-L136 HydrophobicContact CB-CG 3.82Å; C134-L136 WeakPolarHBondContact O-CG 3.3Å; C134-L136 PolarHBondContact O-N 3.1Å
135H93.6Very high94.9Very high97 Ų9727.2 Ų27.245%0.44914%0.138SC..  trans58.538.4-172.3-57.5-20000113.4L130 V131 N132 E165L130-H135 PolarHBondContact O-N 3.35Å; V131-H135 PolarHBondContact O-ND1 3.02Å; N132-H135 PolarHBondContact O-CE1 3.49Å; N132-H135 PolarHBondContact O-ND1 2.85Å; H135-E165 VanDerWaalsContact CA-OE2 3.3Å; H135-E165 WeakPolarHBondContact CA-OE2 3.32Å; H135-E165 HydrophobicContact CB-CG 4.2Å; H135-E165 WeakPolarHBondContact CB-OE2 3.44Å; H135-E165 IonicContact CG-OE2 3.09Å; H135-E165 IonicContact ND1-OE2 2.73Å; H135-E165 PolarHBondContact O-N 3.35Å
136L93.6Very high94.9Very high13 Ų1324.5 Ų24.57%0.06813%0.126CC..EExtended strand (participates in β ladder)trans-118.2140.2-178.9-57.3176.2000110.6L70 L130 C134 L162 A163 P164L70-L136 HydrophobicContact CD2-CD1 4.19Å; L130-L136 CarbonylContact C-O 3.5Å; L130-L136 VanDerWaalsContact C-O 3.23Å; L130-L136 PolarHBondContact O-N 2.61Å; L130-L136 VanDerWaalsContact O-O 3.13Å; C134-L136 VanDerWaalsContact C-N 3.29Å; C134-L136 HydrophobicContact CB-CB 4.3Å; C134-L136 HydrophobicContact CB-CD1 3.8Å; C134-L136 HydrophobicContact CB-CG 3.82Å; C134-L136 WeakPolarHBondContact O-CG 3.3Å; C134-L136 PolarHBondContact O-N 3.1Å; L136-L162 HydrophobicContact CB-CD1 4.44Å; L136-L162 HydrophobicContact CB-CD2 4.31Å; L136-L162 HydrophobicContact CB-CG 4.26Å; L136-L162 HydrophobicContact CD1-CD2 3.65Å; L136-L162 HydrophobicContact CD1-CG 4.48Å; L136-L162 HydrophobicContact CG-CD2 4.46Å; L136-A163 CarbonylContact C-O 3.3Å; L136-A163 WeakPolarHBondContact CA-O 3.21Å; L136-P164 HydrophobicContact CD2-CB 4.28Å; L136-P164 HydrophobicContact CD2-CG 4.4Å
137L93Very high94.9Very high28 Ų2824.6 Ų24.615%0.14713%0.127CC..EExtended strand (participates in β ladder)trans-103.5137173.6-53.1179.5000109.2V131 N139 L162 A163 E165 K199 E203V131-L137 HydrophobicContact CG2-CD2 4.43Å; L137-N139 PolarHBondContact O-ND2 3.25Å; L137-L162 WeakPolarHBondContact O-CA 3.34Å; L137-A163 PolarHBondContact N-O 2.65Å; L137-A163 PolarHBondContact O-N 3.31Å; L137-A163 VanDerWaalsContact O-N 3.11Å; L137-E165 HydrophobicContact CG-CB 4.35Å; L137-K199 WeakPolarHBondContact CD2-O 3.48Å; L137-E203 HydrophobicContact CB-CG 4.35Å; L137-E203 HydrophobicContact CD2-CG 3.93Å
138H94.1Very high94.9Very high0 Ų024.7 Ų24.70%013%0.127CC..  trans-72.9-42.1179.2-159.7-86.9000112.6L127 N140 L141 G157 A158 L159 E203L127-H138 HydrophobicContact CD1-CB 4.44Å; H138-N140 VanDerWaalsContact ND1-C 3.34Å; H138-N140 PolarHBondContact O-N 2.66Å; H138-L141 PolarHBondContact ND1-N 3.27Å; H138-G157 PolarHBondContact CE1-O 3.01Å; H138-G157 PolarHBondContact NE2-O 3.46Å; H138-A158 PolarHBondContact CE1-O 2.8Å; H138-L159 WeakPolarHBondContact NE2-CD2 3.38Å; H138-E203 WeakPolarHBondContact CA-OE2 3.47Å; H138-E203 WeakPolarHBondContact CB-OE2 3.46Å; H138-E203 VanDerWaalsContact N-CD 3.31Å; H138-E203 PolarHBondContact N-OE2 2.79Å
139N91.6Very high94.8Very high46 Ų4625.2 Ų25.225%0.24613%0.128CC..SBendtrans60.4-23.4-178.4-55.6-60.4000116.3L137 H161 E203 R206L137-N139 PolarHBondContact O-ND2 3.25Å; N139-H161 HydrophobicContact CB-CB 4.1Å; N139-H161 PolarHBondContact ND2-O 3.3Å; N139-E203 WeakPolarHBondContact CA-OE1 3.45Å; N139-E203 PolarHBondContact N-OE1 2.79Å; N139-R206 PolarHBondContact O-NE 3.49Å; N139-R206 PolarHBondContact O-NH2 3.27Å
140N91.8Very high94.5Very high14 Ų1429.4 Ų29.48%0.07514%0.143CC..  trans-119.229.4-176.3-166.721.8000113H138 W144 A145 D160 H161 P177H138-N140 VanDerWaalsContact ND1-C 3.34Å; H138-N140 PolarHBondContact O-N 2.66Å; N140-W144 PolarHBondContact O-NE1 2.61Å; N140-W144 PolarHBondContact OD1-NE1 3.23Å; N140-A145 WeakPolarHBondContact O-CB 3.46Å; N140-D160 PolarHBondContact ND2-OD2 3.19Å; N140-H161 HydrophobicContact CB-CB 4.07Å; N140-P177 HydrophobicContact CB-CG 4.17Å
141L94.3Very high94.3Very high0 Ų029.9 Ų29.90%015%0.147CC..  trans-72.8132179.2179.664.2000110.9I123 L127 H138 L156 R206 L207 L210I123-L141 HydrophobicContact CG2-CD1 4.22Å; L127-L141 HydrophobicContact CD1-CD2 4.13Å; L127-L141 HydrophobicContact CD2-CD2 3.85Å; H138-L141 PolarHBondContact ND1-N 3.27Å; L141-L156 HydrophobicContact CD1-CD1 3.73Å; L141-R206 HydrophobicContact CB-CB 3.92Å; L141-R206 HydrophobicContact CD2-CB 4.39Å; L141-R206 HydrophobicContact CG-CB 4.36Å; L141-L207 HydrophobicContact CD2-CB 3.99Å; L141-L210 HydrophobicContact CD1-CD2 4.08Å
142G93.2Very high94.3Very high0 Ų030.8 Ų30.80%016%0.157CC..SBendtrans172.8-178.9-179.100000110.7W144 A145G142-W144 PolarHBondContact O-N 3.28Å; G142-W144 VanDerWaalsContact O-N 3.12Å; G142-A145 WeakPolarHBondContact O-CB 3.43Å; G142-A145 PolarHBondContact O-N 3.16Å
143I94.4Very high94.2Very high22 Ų2229.9 Ų29.911%0.11315%0.151CC..G310 helixtrans-61.5-24.4-173-165.9169.2000114.3L98 L102 L210 E213L98-I143 HydrophobicContact CB-CG1 4.41Å; L98-I143 HydrophobicContact CD2-CG1 4.18Å; L98-I143 HydrophobicContact CG-CG1 4.25Å; L102-I143 HydrophobicContact CD1-CD1 4.31Å; I143-L210 HydrophobicContact CB-CD1 4.3Å; I143-E213 HydrophobicContact CB-CB 4.41Å; I143-E213 HydrophobicContact CD1-CB 4.47Å; I143-E213 WeakPolarHBondContact CG2-OE2 3.36Å; I143-E213 PolarHBondContact N-OE2 3.5Å
144W92.9Very high94.3Very high42 Ų4224.7 Ų24.716%0.15912%0.123CC..G310 helixtrans-76.9-17.6174.758.287.9000114.2N140 G142 M184 Y187N140-W144 PolarHBondContact O-NE1 2.61Å; N140-W144 PolarHBondContact OD1-NE1 3.23Å; G142-W144 PolarHBondContact O-N 3.28Å; G142-W144 VanDerWaalsContact O-N 3.12Å; W144-M184 HydrophobicContact CD2-CE 4.11Å; W144-M184 HydrophobicContact CE3-CE 4.33Å; W144-M184 HydrophobicContact CH2-CE 4.25Å; W144-M184 HydrophobicContact CH2-SD 3.7Å; W144-M184 HydrophobicContact CZ2-CE 4Å; W144-M184 HydrophobicContact CZ2-SD 3.66Å; W144-M184 HydrophobicContact CZ3-CE 4.41Å; W144-M184 HydrophobicContact CZ3-SD 4.28Å; W144-Y187 HydrophobicContact CH2-CD1 4.05Å; W144-Y187 AromaticContact CH2-CD2 3.59Å; W144-Y187 HydrophobicContact CH2-CD2 3.59Å; W144-Y187 AromaticContact CH2-CE1 3.93Å; W144-Y187 HydrophobicContact CH2-CE1 3.93Å; W144-Y187 AromaticContact CH2-CE2 3.46Å; W144-Y187 HydrophobicContact CH2-CE2 3.46Å; W144-Y187 VanDerWaalsContact CH2-CE2 3.46Å; W144-Y187 AromaticContact CH2-CG 3.9Å; W144-Y187 HydrophobicContact CH2-CG 3.9Å; W144-Y187 AromaticContact CH2-CZ 3.65Å; W144-Y187 HydrophobicContact CZ3-CD2 4.24Å; W144-Y187 AromaticContact CZ3-CE1 3.92Å; W144-Y187 HydrophobicContact CZ3-CE1 3.92Å; W144-Y187 AromaticContact CZ3-CE2 3.62Å; W144-Y187 HydrophobicContact CZ3-CE2 3.62Å; W144-Y187 AromaticContact CZ3-CZ 3.45Å; W144-Y187 VanDerWaalsContact CZ3-CZ 3.45Å
145A95.4Very high94.5Very high0 Ų023.3 Ų23.30%011%0.113CC..G310 helixtrans-88.5-6.6179.600000112.8N140 G142 L156 G157 A158N140-A145 WeakPolarHBondContact O-CB 3.46Å; G142-A145 WeakPolarHBondContact O-CB 3.43Å; G142-A145 PolarHBondContact O-N 3.16Å; A145-L156 HydrophobicContact CB-CD1 4.34Å; A145-G157 PolarHBondContact O-N 2.71Å; A145-A158 HydrophobicContact CB-CB 3.8Å
146V97.8Very high94.7Very high0 Ų018.7 Ų18.70%09%0.091CC..EExtended strand (participates in β ladder)trans-108.4135.9-178.8-175.10000110.5L98 I123 W154 L210L98-V146 HydrophobicContact CB-CB 3.91Å; L98-V146 HydrophobicContact CB-CG1 4.02Å; L98-V146 VanDerWaalsContact CB-O 3.26Å; L98-V146 WeakPolarHBondContact CB-O 3.38Å; L98-V146 HydrophobicContact CD2-CB 3.72Å; L98-V146 HydrophobicContact CD2-CG1 3.72Å; L98-V146 HydrophobicContact CD2-CG2 4.35Å; L98-V146 HydrophobicContact CG-CB 4.44Å; L98-V146 HydrophobicContact CG-CG1 4.35Å; L98-V146 PolarHBondContact N-O 2.94Å; I123-V146 HydrophobicContact CD1-CB 4.49Å; I123-V146 HydrophobicContact CD1-CG1 3.85Å; I123-V146 HydrophobicContact CD1-CG2 3.97Å; I123-V146 HydrophobicContact CG1-CG1 3.99Å; I123-V146 HydrophobicContact CG1-CG2 4.03Å; I123-V146 HydrophobicContact CG2-CG2 4.48Å; V146-W154 HydrophobicContact CG1-CB 3.9Å; V146-W154 HydrophobicContact CG1-CD2 4.01Å; V146-W154 HydrophobicContact CG1-CE3 3.81Å; V146-W154 HydrophobicContact CG1-CG 4.08Å; V146-L210 HydrophobicContact CG2-CD1 4.24Å; V146-L210 HydrophobicContact CG2-CD2 3.93Å
147F97.5Very high94.8Very high2 Ų218.1 Ų18.11%0.0099%0.088CC..EExtended strand (participates in β ladder)trans-126149.3179.1-60.2-93.9000109.3S25 L30 F45 L76 V95 T96 P97 W154 K155S25-F147 WeakPolarHBondContact OG-CZ 3.48Å; L30-F147 HydrophobicContact CD2-CE1 4.42Å; F45-F147 AromaticContact CE1-CE1 3.68Å; F45-F147 HydrophobicContact CE1-CE1 3.68Å; F45-F147 AromaticContact CE1-CZ 3.77Å; F45-F147 HydrophobicContact CE1-CZ 3.77Å; F45-F147 HydrophobicContact CZ-CD1 4.14Å; F45-F147 AromaticContact CZ-CE1 3.6Å; F45-F147 HydrophobicContact CZ-CE1 3.6Å; F45-F147 AromaticContact CZ-CZ 3.89Å; F45-F147 HydrophobicContact CZ-CZ 3.89Å; L76-F147 HydrophobicContact CD2-CD2 4.09Å; L76-F147 HydrophobicContact CD2-CE2 4.32Å; L76-F147 HydrophobicContact CD2-CG 4.4Å; V95-F147 HydrophobicContact CB-CB 3.86Å; V95-F147 HydrophobicContact CG1-CB 4.33Å; V95-F147 HydrophobicContact CG2-CB 3.77Å; V95-F147 HydrophobicContact CG2-CD1 3.85Å; V95-F147 HydrophobicContact CG2-CG 4.06Å; T96-F147 CarbonylContact O-C 3.51Å; T96-F147 WeakPolarHBondContact O-CA 3.24Å; P97-F147 HydrophobicContact CB-CD1 4.44Å; P97-F147 HydrophobicContact CB-CE1 4.46Å; P97-F147 HydrophobicContact CG-CD1 4.33Å; P97-F147 HydrophobicContact CG-CE1 4.22Å; F147-W154 CarbonylContact O-C 3.58Å; F147-W154 WeakPolarHBondContact O-CA 3.29Å; F147-K155 PolarHBondContact N-O 3.42Å; F147-K155 PolarHBondContact O-N 3.38Å
148V96.8Very high94.8Very high1 Ų117.6 Ų17.61%0.0069%0.088CC..EExtended strand (participates in β ladder)trans-116128.7-178.5-170.80000109.1V95 T96 L98 H101 E153 W154V95-V148 CarbonylContact C-O 3.59Å; V95-V148 VanDerWaalsContact CA-O 3.28Å; V95-V148 WeakPolarHBondContact CA-O 3.43Å; T96-V148 PolarHBondContact N-O 2.82Å; T96-V148 PolarHBondContact O-N 3.4Å; L98-V148 HydrophobicContact CB-CG2 4.33Å; L98-V148 HydrophobicContact CD1-CG2 3.62Å; H101-V148 HydrophobicContact CB-CB 4.29Å; H101-V148 HydrophobicContact CB-CG2 3.99Å; V148-E153 WeakPolarHBondContact CA-O 3.49Å; V148-W154 HydrophobicContact CG2-CG 4.43Å
149D95.5Very high94.8Very high30 Ų3017.7 Ų17.716%0.169%0.089CC..EExtended strand (participates in β ladder)trans-84.5-175.4177.881.65.4000113.2V95 A151 G152 E153 K155V95-D149 HydrophobicContact CG1-CB 4.22Å; D149-A151 PolarHBondContact O-N 2.75Å; D149-A151 WeakPolarHBondContact OD1-CA 3.18Å; D149-A151 PolarHBondContact OD1-N 2.92Å; D149-G152 PolarHBondContact O-N 3.04Å; D149-G152 PolarHBondContact OD1-N 2.87Å; D149-E153 PolarHBondContact N-O 3.39Å; D149-E153 WeakPolarHBondContact OD1-CB 3.34Å; D149-E153 PolarHBondContact OD1-N 3.24Å; D149-K155 WeakPolarHBondContact OD2-CE 3.43Å; D149-K155 IonicContact OD2-NZ 2.78Å; D149-K155 PolarHBondContact OD2-NZ 2.96Å
150R92.4Very high94.8Very high130 Ų13016 Ų1649%0.4918%0.08SC..THydrogen-bonded Turntrans-63.5-20.4179.5-72.2178.9160.2-122.7-17.6115P41 Q94 H310P41-R150 VanDerWaalsContact CG-NH2 3.35Å; Q94-R150 VanDerWaalsContact OE1-CZ 3.24Å; R150-H310 PolarHBondContact O-CD2 3.07Å
151A92.6Very high94.7Very high11 Ų1115.7 Ų15.79%0.0918%0.078CC..THydrogen-bonded Turntrans-101.56.6-179.700000112.7D149 E153 F307 H310 K311D149-A151 PolarHBondContact O-N 2.75Å; D149-A151 WeakPolarHBondContact OD1-CA 3.18Å; D149-A151 PolarHBondContact OD1-N 2.92Å; A151-E153 HydrophobicContact CB-CG 4.4Å; A151-F307 WeakPolarHBondContact O-CA 3.27Å; A151-H310 HydrophobicContact CB-CB 3.8Å; A151-K311 HydrophobicContact CB-CB 4.04Å
152G93.4Very high94.6Very high19 Ų1915.8 Ų15.820%0.1968%0.078CC..SBendtrans81.69.3-174.200000114D149D149-G152 PolarHBondContact O-N 3.04Å; D149-G152 PolarHBondContact OD1-N 2.87Å
153E95.1Very high94.5Very high23 Ų2317.1 Ų17.111%0.1079%0.089CC..  trans-77.4136.3179.6-57.4-153.1135.100112.2Q122 V148 D149 A151 K155 K311Q122-E153 VanDerWaalsContact NE2-CD 3.26Å; Q122-E153 PolarHBondContact NE2-OE1 3.2Å; Q122-E153 VanDerWaalsContact NE2-OE1 3.17Å; Q122-E153 VanDerWaalsContact OE1-CA 3.29Å; V148-E153 WeakPolarHBondContact CA-O 3.49Å; D149-E153 PolarHBondContact N-O 3.39Å; D149-E153 WeakPolarHBondContact OD1-CB 3.34Å; D149-E153 PolarHBondContact OD1-N 3.24Å; A151-E153 HydrophobicContact CB-CG 4.4Å; E153-K155 IonicContact OE2-NZ 3.26Å; E153-K155 PolarHBondContact OE2-NZ 2.83Å; E153-K311 IonicContact OE1-NZ 3.38Å; E153-K311 PolarHBondContact OE1-NZ 3.02Å
154W97.6Very high94.2Very high2 Ų217.7 Ų17.71%0.0089%0.094CC..EExtended strand (participates in β ladder)trans-88.6125.7177.3-67.123.9000110.2L98 L120 I123 V146 F147 V148 V214L98-W154 HydrophobicContact CD1-CD2 4.02Å; L98-W154 HydrophobicContact CD1-CE3 4.41Å; L98-W154 HydrophobicContact CD1-CH2 3.92Å; L98-W154 HydrophobicContact CD1-CZ2 3.47Å; L98-W154 VanDerWaalsContact CD1-CZ2 3.47Å; L98-W154 HydrophobicContact CD1-CZ3 4.36Å; L98-W154 HydrophobicContact CD2-CD2 4.3Å; L98-W154 HydrophobicContact CD2-CE3 3.88Å; L98-W154 HydrophobicContact CD2-CH2 3.76Å; L98-W154 HydrophobicContact CD2-CZ2 4.19Å; L98-W154 HydrophobicContact CD2-CZ3 3.59Å; L98-W154 HydrophobicContact CG-CH2 4.48Å; L98-W154 HydrophobicContact CG-CZ2 4.48Å; L120-W154 HydrophobicContact CD2-CZ3 4.02Å; L120-W154 HydrophobicContact CG-CZ3 4.28Å; I123-W154 HydrophobicContact CD1-CB 4.12Å; I123-W154 HydrophobicContact CG1-CB 3.94Å; I123-W154 HydrophobicContact CG1-CE3 3.97Å; V146-W154 HydrophobicContact CG1-CB 3.9Å; V146-W154 HydrophobicContact CG1-CD2 4.01Å; V146-W154 HydrophobicContact CG1-CE3 3.81Å; V146-W154 HydrophobicContact CG1-CG 4.08Å; F147-W154 CarbonylContact O-C 3.58Å; F147-W154 WeakPolarHBondContact O-CA 3.29Å; V148-W154 HydrophobicContact CG2-CG 4.43Å; W154-V214 HydrophobicContact CH2-CG1 3.93Å; W154-V214 HydrophobicContact CH2-CG2 3.71Å; W154-V214 HydrophobicContact CZ3-CG2 3.96Å
155K97.9Very high93.8Very high10 Ų1018.2 Ų18.24%0.04310%0.098CC..EExtended strand (participates in β ladder)trans-115.6133.7177.9-40-68-174.8179.40109.7L76 E93 F147 D149 E153L76-K155 HydrophobicContact CB-CB 4.22Å; L76-K155 HydrophobicContact CD1-CB 4.4Å; E93-K155 WeakPolarHBondContact OE2-CE 3.45Å; E93-K155 IonicContact OE2-NZ 2.83Å; F147-K155 PolarHBondContact N-O 3.42Å; F147-K155 PolarHBondContact O-N 3.38Å; D149-K155 WeakPolarHBondContact OD2-CE 3.43Å; D149-K155 IonicContact OD2-NZ 2.78Å; D149-K155 PolarHBondContact OD2-NZ 2.96Å; E153-K155 IonicContact OE2-NZ 3.26Å; E153-K155 PolarHBondContact OE2-NZ 2.83Å
156L97.9Very high93Very high0 Ų026.6 Ų26.60%014%0.138CC..EExtended strand (participates in β ladder)trans-81.4121.2174.5-174.860000110.6N74 I75 L76 I123 A126 L130 L141 A145N74-L156 PolarHBondContact O-N 3.35Å; I75-L156 WeakPolarHBondContact CA-O 3.43Å; I75-L156 HydrophobicContact CG1-CB 4.37Å; L76-L156 PolarHBondContact N-O 3.18Å; I123-L156 HydrophobicContact CD1-CB 3.91Å; A126-L156 HydrophobicContact CB-CB 4.03Å; A126-L156 HydrophobicContact CB-CD2 3.91Å; L130-L156 HydrophobicContact CD1-CD2 3.71Å; L141-L156 HydrophobicContact CD1-CD1 3.73Å; A145-L156 HydrophobicContact CB-CD1 4.34Å
157G95.4Very high92Very high0 Ų028.5 Ų28.50%016%0.157CC..  trans-121.3-151.5174.600000111.5H138 A145 L159H138-G157 PolarHBondContact CE1-O 3.01Å; H138-G157 PolarHBondContact NE2-O 3.46Å; A145-G157 PolarHBondContact O-N 2.71Å; G157-L159 PolarHBondContact O-N 2.91Å
158A92.9Very high90.9Very high18 Ų1831.8 Ų31.815%0.14918%0.175CC..  trans53.544.3-178.400000114.5H138 A145 D160H138-A158 PolarHBondContact CE1-O 2.8Å; A145-A158 HydrophobicContact CB-CB 3.8Å; A158-D160 WeakPolarHBondContact CA-OD1 3.49Å; A158-D160 PolarHBondContact O-N 3.06Å
159L93.1Very high89.6Confident2 Ų237.9 Ų37.91%0.0121%0.214CC..G310 helixtrans-77.721.3-177.8-47.7-173.9000113.7R66 M67 L70 I75 H138 G157 L162R66-L159 HydrophobicContact CB-CB 4.41Å; M67-L159 HydrophobicContact CG-CD1 3.71Å; M67-L159 HydrophobicContact CG-CG 4.26Å; L70-L159 HydrophobicContact CD1-CD1 3.83Å; I75-L159 HydrophobicContact CG2-CD1 4.1Å; H138-L159 WeakPolarHBondContact NE2-CD2 3.38Å; G157-L159 PolarHBondContact O-N 2.91Å; L159-L162 HydrophobicContact CB-CB 4.38Å; L159-L162 HydrophobicContact CD2-CD1 4.37Å; L159-L162 VanDerWaalsContact O-CB 3.31Å; L159-L162 WeakPolarHBondContact O-CB 3.17Å
160D91.7Very high88.5Confident10 Ų1040.4 Ų40.45%0.05323%0.234CC..G310 helixtrans-68.8-40.4-17719.2-92.7000112.9I27 L59 A63 N140 A158I27-D160 HydrophobicContact CD1-CB 4.33Å; L59-D160 HydrophobicContact CB-CB 4.14Å; L59-D160 VanDerWaalsContact CD2-O 3.25Å; L59-D160 WeakPolarHBondContact CD2-O 3.47Å; A63-D160 HydrophobicContact CB-CB 4.12Å; N140-D160 PolarHBondContact ND2-OD2 3.19Å; A158-D160 WeakPolarHBondContact CA-OD1 3.49Å; A158-D160 PolarHBondContact O-N 3.06Å
161H91.6Very high87.3Confident8 Ų837.4 Ų37.44%0.03724%0.244CC..G310 helixtrans-94.518.2177.9-61.6-84.9000113.7L59 N139 N140 A163 P175 P177L59-H161 VanDerWaalsContact CD1-CE1 3.48Å; L59-H161 WeakPolarHBondContact CD1-CE1 3.4Å; N139-H161 HydrophobicContact CB-CB 4.1Å; N139-H161 PolarHBondContact ND2-O 3.3Å; N140-H161 HydrophobicContact CB-CB 4.07Å; H161-A163 PolarHBondContact O-N 2.72Å; H161-P175 PolarHBondContact CE1-O 2.9Å; H161-P175 PolarHBondContact ND1-O 2.89Å; H161-P177 HydrophobicContact CB-CG 4.4Å
162L91.8Very high86.3Confident1 Ų141.1 Ų41.11%0.00527%0.266CS..  trans-74.3105.6-172.6-165.997.6000113.1R66 L70 L130 L136 L137 L159R66-L162 HydrophobicContact CB-CD2 4.31Å; R66-L162 HydrophobicContact CG-CB 4.41Å; R66-L162 HydrophobicContact CG-CD2 3.91Å; R66-L162 PolarHBondContact NE-O 3.4Å; R66-L162 PolarHBondContact NH2-O 2.96Å; L70-L162 HydrophobicContact CD1-CD2 3.54Å; L130-L162 HydrophobicContact CD1-CD1 4.03Å; L130-L162 HydrophobicContact CD2-CD1 4.13Å; L136-L162 HydrophobicContact CB-CD1 4.44Å; L136-L162 HydrophobicContact CB-CD2 4.31Å; L136-L162 HydrophobicContact CB-CG 4.26Å; L136-L162 HydrophobicContact CD1-CD2 3.65Å; L136-L162 HydrophobicContact CD1-CG 4.48Å; L136-L162 HydrophobicContact CG-CD2 4.46Å; L137-L162 WeakPolarHBondContact O-CA 3.34Å; L159-L162 HydrophobicContact CB-CB 4.38Å; L159-L162 HydrophobicContact CD2-CD1 4.37Å; L159-L162 VanDerWaalsContact O-CB 3.31Å; L159-L162 WeakPolarHBondContact O-CB 3.17Å
163A89.8Confident85.5Confident29 Ų2945.3 Ų45.324%0.2429%0.292CS..EExtended strand (participates in β ladder)trans-115152.3-173.600000112.6L136 L137 H161L136-A163 CarbonylContact C-O 3.3Å; L136-A163 WeakPolarHBondContact CA-O 3.21Å; L137-A163 PolarHBondContact N-O 2.65Å; L137-A163 PolarHBondContact O-N 3.31Å; L137-A163 VanDerWaalsContact O-N 3.11Å; H161-A163 PolarHBondContact O-N 2.72Å
164P89.2Confident85Confident33 Ų3346.6 Ų46.621%0.21430%0.299CS..EExtended strand (participates in β ladder)trans-68.9147.8170.1-11.327.8000111.6L136 Q166 G167L136-P164 HydrophobicContact CD2-CB 4.28Å; L136-P164 HydrophobicContact CD2-CG 4.4Å; P164-Q166 PolarHBondContact O-N 3.49Å; P164-Q166 VanDerWaalsContact O-N 3.11Å; P164-G167 WeakPolarHBondContact CB-O 3.42Å; P164-G167 WeakPolarHBondContact CG-O 3.22Å; P164-G167 PolarHBondContact O-N 2.91Å
165E83.6Confident84.4Confident53 Ų5347.4 Ų47.425%0.24831%0.305CS..THydrogen-bonded Turntrans-61.7-21.5-178.772.5-173.6-129.500114.3H135 L137 K199H135-E165 VanDerWaalsContact CA-OE2 3.3Å; H135-E165 WeakPolarHBondContact CA-OE2 3.32Å; H135-E165 HydrophobicContact CB-CG 4.2Å; H135-E165 WeakPolarHBondContact CB-OE2 3.44Å; H135-E165 IonicContact CG-OE2 3.09Å; H135-E165 IonicContact ND1-OE2 2.73Å; H135-E165 PolarHBondContact O-N 3.35Å; L137-E165 HydrophobicContact CG-CB 4.35Å; E165-K199 HydrophobicContact CB-CD 4.35Å; E165-K199 HydrophobicContact CG-CD 4.36Å; E165-K199 VanDerWaalsContact OE1-CD 3.28Å; E165-K199 WeakPolarHBondContact OE1-CD 3.46Å; E165-K199 IonicContact OE1-NZ 2.88Å; E165-K199 PolarHBondContact OE1-NZ 3.36Å; E165-K199 VanDerWaalsContact OE2-CD 3.24Å; E165-K199 WeakPolarHBondContact OE2-CD 3.33Å; E165-K199 WeakPolarHBondContact OE2-CE 3.37Å; E165-K199 IonicContact OE2-NZ 3.92Å; E165-K199 PolarHBondContact OE2-NZ 3.13Å
166Q80.3Confident83.8Confident177 Ų17750.6 Ų50.683%0.82733%0.325SS*.THydrogen-bonded Turntrans-998.4178.9-52.9-173.22.200112.7P164P164-Q166 PolarHBondContact O-N 3.49Å; P164-Q166 VanDerWaalsContact O-N 3.11Å
167G76.3Confident83.3Confident39 Ų3951 Ų5140%0.40233%0.328SS..  trans82.7171.9-168.400000113P164 P169P164-G167 WeakPolarHBondContact CB-O 3.42Å; P164-G167 WeakPolarHBondContact CG-O 3.22Å; P164-G167 PolarHBondContact O-N 2.91Å; G167-P169 WeakPolarHBondContact O-CD 3.4Å
168D73.9Confident82.7Confident71 Ų7154.6 Ų54.638%0.3834%0.343SS..  trans-79.2125.2176.8-165.4-68.2000110.9S170 G171D168-S170 PolarHBondContact O-N 3.31Å; D168-S170 VanDerWaalsContact OD1-CB 3.27Å; D168-S170 WeakPolarHBondContact OD1-CB 3.39Å; D168-S170 PolarHBondContact OD1-N 3.32Å; D168-S170 PolarHBondContact OD1-OG 3.32Å; D168-G171 PolarHBondContact O-N 3.08Å
169P69.7Low82.4Confident129 Ų12956.6 Ų56.684%0.83836%0.36SS*.THydrogen-bonded Turntrans-60.5-16.1179.8-25.535.4000115.4G167 G171G167-P169 WeakPolarHBondContact O-CD 3.4Å; P169-G171 VanDerWaalsContact C-N 3.34Å
170S72.3Confident82Confident83 Ų8357.6 Ų57.658%0.5837%0.366SS*.THydrogen-bonded Turntrans-83.7-6.9173.469.80000114D168 V172D168-S170 PolarHBondContact O-N 3.31Å; D168-S170 VanDerWaalsContact OD1-CB 3.27Å; D168-S170 WeakPolarHBondContact OD1-CB 3.39Å; D168-S170 PolarHBondContact OD1-N 3.32Å; D168-S170 PolarHBondContact OD1-OG 3.32Å; S170-V172 PolarHBondContact O-N 3.09Å; S170-V172 PolarHBondContact OG-N 3.23Å
171G68.2Low81.6Confident68 Ų6859.9 Ų59.970%0.70137%0.374SS*.  trans76.1-2.1-174.400000114.7D168 P169 S173D168-G171 PolarHBondContact O-N 3.08Å; P169-G171 VanDerWaalsContact C-N 3.34Å; G171-S173 PolarHBondContact O-N 2.84Å; G171-S173 VanDerWaalsContact O-N 3.15Å
172V70.8Confident81.2Confident89 Ų8964.2 Ų64.254%0.53940%0.403SS..  trans-79.596.3177.5-176.80000109.7S170S170-V172 PolarHBondContact O-N 3.09Å; S170-V172 PolarHBondContact OG-N 3.23Å
173S77Confident81Confident107 Ų10770.6 Ų70.675%0.74844%0.437SS*.PPolyproline II helixtrans-74.2128.1172.3-166.40000110.8G171G171-S173 PolarHBondContact O-N 2.84Å; G171-S173 VanDerWaalsContact O-N 3.15Å
174L83.6Confident80.9Confident49 Ų4970.8 Ų70.826%0.25743%0.433SS..PPolyproline II helixtrans-70.6147.9171.5-67.5173.5000110.4L59 A62L59-L174 HydrophobicContact CD2-CB 4.15Å; L59-L174 HydrophobicContact CD2-CD2 4.42Å; A62-L174 HydrophobicContact CB-CD1 4.09Å; A62-L174 HydrophobicContact CB-CD2 4.01Å
175P85.7Confident80.8Confident19 Ų1974.9 Ų74.912%0.12345%0.45CS..PPolyproline II helixtrans-54.6144.3171.7-21.229.9000111.4Q55 L59 H161 V180Q55-P175 HydrophobicContact CB-CB 4.39Å; Q55-P175 HydrophobicContact CB-CG 3.71Å; Q55-P175 HydrophobicContact CG-CG 3.9Å; L59-P175 HydrophobicContact CD1-CB 4.23Å; L59-P175 HydrophobicContact CD1-CG 4.28Å; L59-P175 HydrophobicContact CG-CG 4.28Å; H161-P175 PolarHBondContact CE1-O 2.9Å; H161-P175 PolarHBondContact ND1-O 2.89Å; P175-V180 HydrophobicContact CB-CG2 4.43Å
176T86.1Confident81.2Confident78 Ų7875 Ų7548%0.47945%0.45SS..PPolyproline II helixtrans-77.8155.6174.458.90000110.9K178 A179T176-K178 PolarHBondContact O-N 3.07Å; T176-A179 WeakPolarHBondContact O-CB 3.47Å; T176-A179 PolarHBondContact O-N 3.31Å
177P85.5Confident81.8Confident8 Ų867.1 Ų67.15%0.05241%0.412CS..Hα-helixtrans-52.9-40.8180-28.234.3000113.4N140 H161 A179 V180 Y181 M184N140-P177 HydrophobicContact CB-CG 4.17Å; H161-P177 HydrophobicContact CB-CG 4.4Å; P177-A179 VanDerWaalsContact C-N 3.31Å; P177-A179 PolarHBondContact O-N 3.23Å; P177-V180 PolarHBondContact O-N 3Å; P177-V180 VanDerWaalsContact O-N 3.1Å; P177-Y181 PolarHBondContact O-N 3.19Å; P177-M184 HydrophobicContact CB-CB 4.3Å; P177-M184 HydrophobicContact CB-CG 4.45Å
178K84.9Confident82.4Confident76 Ų7666.6 Ų66.633%0.3340%0.4SS..Hα-helixtrans-72.3-16.3178.867.3177.2172.4-166.10115.7T176 V180 Y181 M184 E185 D188T176-K178 PolarHBondContact O-N 3.07Å; K178-V180 VanDerWaalsContact C-N 3.28Å; K178-Y181 WeakPolarHBondContact CA-O 3.47Å; K178-M184 HydrophobicContact CB-CB 4.46Å; K178-E185 HydrophobicContact CD-CB 4.11Å; K178-E185 HydrophobicContact CD-CG 4.4Å; K178-E185 IonicContact NZ-OE1 2.68Å; K178-E185 PolarHBondContact NZ-OE1 3.09Å; K178-D188 VanDerWaalsContact CD-OD2 3.31Å; K178-D188 WeakPolarHBondContact CD-OD2 3.33Å; K178-D188 WeakPolarHBondContact CE-OD2 3.31Å; K178-D188 IonicContact NZ-OD2 3.43Å; K178-D188 PolarHBondContact NZ-OD2 2.89Å
179A85.3Confident83.2Confident59 Ų5964.7 Ų64.749%0.48839%0.391SS..Hα-helixtrans-73.5-23.8169.300000112.1T176 P177T176-A179 WeakPolarHBondContact O-CB 3.47Å; T176-A179 PolarHBondContact O-N 3.31Å; P177-A179 VanDerWaalsContact C-N 3.31Å; P177-A179 PolarHBondContact O-N 3.23Å
180V84.4Confident84.1Confident24 Ų2462.4 Ų62.415%0.14538%0.377CS..Hα-helixtrans-95.8-37.6176.8-168.20000111.6I27 Q56 L59 P175 P177 K178I27-V180 HydrophobicContact CG2-CG1 4.26Å; Q56-V180 HydrophobicContact CG-CG1 3.67Å; L59-V180 HydrophobicContact CD1-CG2 3.63Å; P175-V180 HydrophobicContact CB-CG2 4.43Å; P177-V180 PolarHBondContact O-N 3Å; P177-V180 VanDerWaalsContact O-N 3.1Å; K178-V180 VanDerWaalsContact C-N 3.28Å
181Y84.6Confident84.6Confident58 Ų5860.2 Ų60.223%0.22736%0.357CS..  trans-13794.7-177.5-58.2-72000110.3G26 I27 P177 K178 D183 M184G26-Y181 PolarHBondContact O-OH 2.83Å; I27-Y181 WeakPolarHBondContact CA-OH 3.2Å; I27-Y181 HydrophobicContact CG2-CE2 4.14Å; I27-Y181 VanDerWaalsContact CG2-OH 3.31Å; I27-Y181 WeakPolarHBondContact CG2-OH 3.33Å; I27-Y181 PolarHBondContact N-OH 2.93Å; P177-Y181 PolarHBondContact O-N 3.19Å; K178-Y181 WeakPolarHBondContact CA-O 3.47Å; Y181-D183 PolarHBondContact O-N 2.86Å; Y181-D183 VanDerWaalsContact O-N 3.1Å; Y181-M184 VanDerWaalsContact O-CB 3.27Å; Y181-M184 WeakPolarHBondContact O-CB 3.23Å; Y181-M184 WeakPolarHBondContact O-CG 3.49Å; Y181-M184 PolarHBondContact O-N 3.25Å
182P83.2Confident84.6Confident98 Ų9860.5 Ų60.564%0.63635%0.353SS*.G310 helixtrans-52.7-36.3-174.9-3137.2000114.7M184 E185P182-M184 PolarHBondContact O-N 3.29Å; P182-E185 PolarHBondContact O-N 3.19Å; P182-E185 VanDerWaalsContact O-N 3.1Å
183D85.9Confident84Confident135 Ų13562.3 Ų62.372%0.72237%0.37SS*.G310 helixtrans-57.4-14.7176.6-64.6-9.6000114.4Y181 E185 K186Y181-D183 PolarHBondContact O-N 2.86Å; Y181-D183 VanDerWaalsContact O-N 3.1Å; D183-E185 VanDerWaalsContact C-N 3.27Å; D183-E185 PolarHBondContact O-N 3.14Å; D183-K186 WeakPolarHBondContact O-CD 3.37Å; D183-K186 WeakPolarHBondContact O-CE 3.46Å; D183-K186 WeakPolarHBondContact O-CG 3.46Å
184M88.1Confident82.9Confident33 Ų3365 Ų6516%0.16338%0.376CS..G310 helixtrans-72.8-15.4177-66.7-62.317900113.9W144 P177 K178 Y181 P182 K186 Y187W144-M184 HydrophobicContact CD2-CE 4.11Å; W144-M184 HydrophobicContact CE3-CE 4.33Å; W144-M184 HydrophobicContact CH2-CE 4.25Å; W144-M184 HydrophobicContact CH2-SD 3.7Å; W144-M184 HydrophobicContact CZ2-CE 4Å; W144-M184 HydrophobicContact CZ2-SD 3.66Å; W144-M184 HydrophobicContact CZ3-CE 4.41Å; W144-M184 HydrophobicContact CZ3-SD 4.28Å; P177-M184 HydrophobicContact CB-CB 4.3Å; P177-M184 HydrophobicContact CB-CG 4.45Å; K178-M184 HydrophobicContact CB-CB 4.46Å; Y181-M184 VanDerWaalsContact O-CB 3.27Å; Y181-M184 WeakPolarHBondContact O-CB 3.23Å; Y181-M184 WeakPolarHBondContact O-CG 3.49Å; Y181-M184 PolarHBondContact O-N 3.25Å; P182-M184 PolarHBondContact O-N 3.29Å; M184-K186 PolarHBondContact O-N 3.11Å; M184-K186 VanDerWaalsContact O-N 3.11Å; M184-Y187 PolarHBondContact O-N 2.88Å; M184-Y187 HydrophobicContact SD-CD2 3.76Å; M184-Y187 HydrophobicContact SD-CE2 3.76Å
185E88.1Confident81.6Confident119 Ų11965.4 Ų65.456%0.55638%0.382SS*.G310 helixtrans-56.1-29.5177.2178.9158-106.900112.7K178 P182 D183 Y187 D188K178-E185 HydrophobicContact CD-CB 4.11Å; K178-E185 HydrophobicContact CD-CG 4.4Å; K178-E185 IonicContact NZ-OE1 2.68Å; K178-E185 PolarHBondContact NZ-OE1 3.09Å; P182-E185 PolarHBondContact O-N 3.19Å; P182-E185 VanDerWaalsContact O-N 3.1Å; D183-E185 VanDerWaalsContact C-N 3.27Å; D183-E185 PolarHBondContact O-N 3.14Å; E185-Y187 PolarHBondContact O-N 3.4Å; E185-Y187 VanDerWaalsContact O-N 3.1Å; E185-D188 WeakPolarHBondContact O-CB 3.49Å; E185-D188 PolarHBondContact O-N 2.86Å
186K91.3Very high80.4Confident57 Ų5768.8 Ų68.825%0.24841%0.407CS..G310 helixtrans-63.2-17.4177.573.8-165.9173.3169.20114.4D183 M184 L219 T222D183-K186 WeakPolarHBondContact O-CD 3.37Å; D183-K186 WeakPolarHBondContact O-CE 3.46Å; D183-K186 WeakPolarHBondContact O-CG 3.46Å; M184-K186 PolarHBondContact O-N 3.11Å; M184-K186 VanDerWaalsContact O-N 3.11Å; K186-L219 WeakPolarHBondContact CD-O 3.29Å; K186-L219 VanDerWaalsContact CE-O 3.31Å; K186-L219 WeakPolarHBondContact CE-O 3.45Å; K186-L219 HydrophobicContact CG-CD2 4.49Å; K186-L219 PolarHBondContact NZ-O 2.92Å; K186-T222 VanDerWaalsContact CA-OG1 3.3Å; K186-T222 WeakPolarHBondContact CA-OG1 3.31Å; K186-T222 WeakPolarHBondContact O-CB 3.5Å; K186-T222 WeakPolarHBondContact O-CG2 3.4Å; K186-T222 PolarHBondContact O-OG1 3.25Å
187Y92.8Very high79.5Confident11 Ų1166.5 Ų66.54%0.04340%0.398CS..G310 helixtrans-97.9-8.1176.9-57.1-79.2000113.7W144 M184 E185 W205 R206 C209 E213 L219W144-Y187 HydrophobicContact CH2-CD1 4.05Å; W144-Y187 AromaticContact CH2-CD2 3.59Å; W144-Y187 HydrophobicContact CH2-CD2 3.59Å; W144-Y187 AromaticContact CH2-CE1 3.93Å; W144-Y187 HydrophobicContact CH2-CE1 3.93Å; W144-Y187 AromaticContact CH2-CE2 3.46Å; W144-Y187 HydrophobicContact CH2-CE2 3.46Å; W144-Y187 VanDerWaalsContact CH2-CE2 3.46Å; W144-Y187 AromaticContact CH2-CG 3.9Å; W144-Y187 HydrophobicContact CH2-CG 3.9Å; W144-Y187 AromaticContact CH2-CZ 3.65Å; W144-Y187 HydrophobicContact CZ3-CD2 4.24Å; W144-Y187 AromaticContact CZ3-CE1 3.92Å; W144-Y187 HydrophobicContact CZ3-CE1 3.92Å; W144-Y187 AromaticContact CZ3-CE2 3.62Å; W144-Y187 HydrophobicContact CZ3-CE2 3.62Å; W144-Y187 AromaticContact CZ3-CZ 3.45Å; W144-Y187 VanDerWaalsContact CZ3-CZ 3.45Å; M184-Y187 PolarHBondContact O-N 2.88Å; M184-Y187 HydrophobicContact SD-CD2 3.76Å; M184-Y187 HydrophobicContact SD-CE2 3.76Å; E185-Y187 PolarHBondContact O-N 3.4Å; E185-Y187 VanDerWaalsContact O-N 3.1Å; Y187-W205 PolarHBondContact O-NE1 2.63Å; Y187-R206 PolarHBondContact O-NH1 3.26Å; Y187-C209 HydrophobicContact CD1-CB 3.89Å; Y187-E213 WeakPolarHBondContact CE1-OE1 3.36Å; Y187-E213 PolarHBondContact OH-OE1 3.44Å; Y187-L219 HydrophobicContact CD1-CD2 3.71Å; Y187-L219 HydrophobicContact CE1-CB 3.72Å; Y187-L219 HydrophobicContact CE1-CD2 3.68Å; Y187-L219 HydrophobicContact CE1-CG 4.33Å
188D90.3Very high79.4Confident28 Ų2870.2 Ų70.215%0.1542%0.415CS..SBendtrans-66.5148.4177.4-78.3-7.7000111K178 E185 W205 R206K178-D188 VanDerWaalsContact CD-OD2 3.31Å; K178-D188 WeakPolarHBondContact CD-OD2 3.33Å; K178-D188 WeakPolarHBondContact CE-OD2 3.31Å; K178-D188 IonicContact NZ-OD2 3.43Å; K178-D188 PolarHBondContact NZ-OD2 2.89Å; E185-D188 WeakPolarHBondContact O-CB 3.49Å; E185-D188 PolarHBondContact O-N 2.86Å; D188-W205 PolarHBondContact O-NE1 3.47Å; D188-W205 VanDerWaalsContact O-NE1 3.09Å; D188-R206 IonicContact OD1-CZ 2.61Å; D188-R206 IonicContact OD1-NH1 2.67Å; D188-R206 PolarHBondContact OD1-NH1 3.39Å; D188-R206 VanDerWaalsContact OD1-NH1 3.09Å; D188-R206 IonicContact OD1-NH2 3.91Å; D188-R206 PolarHBondContact OD1-NH2 3.49Å
189P90.1Very high79.5Confident30 Ų3070.3 Ų70.320%0.19542%0.415CS..  trans-70.8157176.532.4-36.9000111.7E191 W205P189-E191 VanDerWaalsContact C-N 3.27Å; P189-E191 WeakPolarHBondContact CB-OE1 3.48Å; P189-E191 PolarHBondContact O-N 3.37Å; P189-W205 HydrophobicContact CB-CB 4.11Å; P189-W205 HydrophobicContact CB-CD2 4.19Å; P189-W205 HydrophobicContact CB-CG 3.79Å
190P87.6Confident79.7Confident81 Ų8169.6 Ų69.653%0.52640%0.4SS..SBendtrans-71.8-19.2-176.129.5-36.2000113.6W205P190-W205 HydrophobicContact CG-CE3 4.34Å; P190-W205 HydrophobicContact CG-CH2 4.01Å; P190-W205 HydrophobicContact CG-CZ3 3.86Å
191E84.1Confident80.1Confident37 Ų3768.5 Ų68.517%0.17339%0.394CS..SBendtrans-82.8138.9174.469.6-79.4-173.700113P189 S195 R250P189-E191 VanDerWaalsContact C-N 3.27Å; P189-E191 WeakPolarHBondContact CB-OE1 3.48Å; P189-E191 PolarHBondContact O-N 3.37Å; E191-S195 WeakPolarHBondContact CB-OG 3.21Å; E191-S195 VanDerWaalsContact CG-OG 3.24Å; E191-S195 WeakPolarHBondContact CG-OG 3.27Å; E191-R250 IonicContact OE1-CZ 3.68Å; E191-R250 IonicContact OE1-NH1 3.85Å; E191-R250 PolarHBondContact OE1-NH1 3.21Å; E191-R250 IonicContact OE1-NH2 2.97Å; E191-R250 IonicContact OE2-CZ 2.73Å; E191-R250 IonicContact OE2-NH1 2.66Å; E191-R250 PolarHBondContact OE2-NH1 3.1Å; E191-R250 IonicContact OE2-NH2 3.6Å; E191-R250 PolarHBondContact OE2-NH2 3.2Å
192A66.8Low80.5Confident74 Ų7466.7 Ų66.761%0.61239%0.393SS*.  trans-70.3157.1176.500000112.2N194 S195A192-N194 PolarHBondContact O-N 2.97Å; A192-S195 VanDerWaalsContact O-CB 3.28Å; A192-S195 WeakPolarHBondContact O-CB 3.45Å; A192-S195 PolarHBondContact O-N 3.3Å; A192-S195 PolarHBondContact O-OG 3.16Å
193S59.1Low81Confident127 Ų12762.2 Ų62.289%0.88836%0.363SS*.THydrogen-bonded Turntrans-60.1-10-177.6-165.90000115.9
194N53.2Low81.4Confident165 Ų16555.8 Ų55.888%0.88233%0.329SS*.THydrogen-bonded Turntrans-102.711.8175.1-73.413.9000113A192A192-N194 PolarHBondContact O-N 2.97Å
195S56.9Low81.8Confident56 Ų5655 Ų5539%0.39232%0.324SS..  trans-78.6139.5-179.862.80000112.1E191 A192 G197E191-S195 WeakPolarHBondContact CB-OG 3.21Å; E191-S195 VanDerWaalsContact CG-OG 3.24Å; E191-S195 WeakPolarHBondContact CG-OG 3.27Å; A192-S195 VanDerWaalsContact O-CB 3.28Å; A192-S195 WeakPolarHBondContact O-CB 3.45Å; A192-S195 PolarHBondContact O-N 3.3Å; A192-S195 PolarHBondContact O-OG 3.16Å; S195-G197 PolarHBondContact O-N 2.7Å
196S59.6Low82.2Confident91 Ų9150.5 Ų50.564%0.63630%0.302SS*.  trans-82.258.8175510000111.5R248S196-R248 VanDerWaalsContact O-CZ 3.32Å; S196-R248 PolarHBondContact O-NE 3.43Å; S196-R248 PolarHBondContact O-NH2 3.02Å; S196-R248 PolarHBondContact OG-NH2 3.35Å
197G68.3Low82.5Confident29 Ų2947.8 Ų47.830%0.29929%0.29SS..  trans-87.2175.6169.900000112.4S195S195-G197 PolarHBondContact O-N 2.7Å
198E83.7Confident82.7Confident86 Ų8647.2 Ų47.240%0.40229%0.288SS..  trans-70.2145.6170.7-64-58.9151.700110.9W200 A201E198-W200 HydrophobicContact CB-CD2 3.99Å; E198-W200 HydrophobicContact CB-CE3 4.47Å; E198-W200 HydrophobicContact CB-CG 4.48Å; E198-W200 HydrophobicContact CB-CH2 4.12Å; E198-W200 HydrophobicContact CB-CZ2 3.63Å; E198-W200 HydrophobicContact CG-CH2 4.14Å; E198-W200 HydrophobicContact CG-CZ2 3.61Å; E198-W200 PolarHBondContact O-N 2.99Å; E198-W200 WeakPolarHBondContact OE2-CH2 3.5Å; E198-A201 WeakPolarHBondContact O-CB 3.45Å; E198-A201 PolarHBondContact O-N 3.42Å
199K85.4Confident83Confident78 Ų7845.9 Ų45.934%0.33928%0.281SS..THydrogen-bonded Turntrans-57.7-25.8-174.858.7171.9175.7175.10114.9L137 E165L137-K199 WeakPolarHBondContact CD2-O 3.48Å; E165-K199 HydrophobicContact CB-CD 4.35Å; E165-K199 HydrophobicContact CG-CD 4.36Å; E165-K199 VanDerWaalsContact OE1-CD 3.28Å; E165-K199 WeakPolarHBondContact OE1-CD 3.46Å; E165-K199 IonicContact OE1-NZ 2.88Å; E165-K199 PolarHBondContact OE1-NZ 3.36Å; E165-K199 VanDerWaalsContact OE2-CD 3.24Å; E165-K199 WeakPolarHBondContact OE2-CD 3.33Å; E165-K199 WeakPolarHBondContact OE2-CE 3.37Å; E165-K199 IonicContact OE2-NZ 3.92Å; E165-K199 PolarHBondContact OE2-NZ 3.13Å
200W91Very high83.4Confident44 Ų4444.5 Ų44.517%0.16727%0.272CS..THydrogen-bonded Turntrans-89-5.2176.85878.5000114.3V131 E198 G202 E203 V204 R250 N252V131-W200 HydrophobicContact CG1-CB 3.82Å; V131-W200 HydrophobicContact CG1-CE3 4.41Å; E198-W200 HydrophobicContact CB-CD2 3.99Å; E198-W200 HydrophobicContact CB-CE3 4.47Å; E198-W200 HydrophobicContact CB-CG 4.48Å; E198-W200 HydrophobicContact CB-CH2 4.12Å; E198-W200 HydrophobicContact CB-CZ2 3.63Å; E198-W200 HydrophobicContact CG-CH2 4.14Å; E198-W200 HydrophobicContact CG-CZ2 3.61Å; E198-W200 PolarHBondContact O-N 2.99Å; E198-W200 WeakPolarHBondContact OE2-CH2 3.5Å; W200-G202 VanDerWaalsContact C-N 3.35Å; W200-G202 PolarHBondContact O-N 3.13Å; W200-E203 WeakPolarHBondContact O-CB 3.37Å; W200-E203 PolarHBondContact O-N 2.89Å; W200-V204 HydrophobicContact CB-CG1 4.37Å; W200-V204 WeakPolarHBondContact O-CG2 3.46Å; W200-V204 PolarHBondContact O-N 3.44Å; W200-R250 PolarHBondContact NE1-O 3.33Å; W200-R250 VanDerWaalsContact NE1-O 3.11Å; W200-N252 HydrophobicContact CD2-CB 4.09Å; W200-N252 HydrophobicContact CE3-CB 4.47Å; W200-N252 VanDerWaalsContact CE3-ND2 3.25Å; W200-N252 HydrophobicContact CH2-CB 4.47Å; W200-N252 HydrophobicContact CZ2-CB 4.05Å
201A92.6Very high83.9Confident2 Ų240.7 Ų40.72%0.01725%0.247CC..Hα-helixtrans-60.3-39.7-167.100000113.7E198 V204 W205 S247 R250E198-A201 WeakPolarHBondContact O-CB 3.45Å; E198-A201 PolarHBondContact O-N 3.42Å; A201-V204 WeakPolarHBondContact O-CG2 3.31Å; A201-W205 WeakPolarHBondContact O-CB 3.42Å; A201-W205 PolarHBondContact O-N 3.06Å; A201-W205 VanDerWaalsContact O-N 3.17Å; A201-S247 WeakPolarHBondContact CB-O 3.49Å; A201-R250 WeakPolarHBondContact O-CD 3.34Å; A201-R250 PolarHBondContact O-NH1 3.32Å
202G92.2Very high84.5Confident20 Ų2039.8 Ų39.821%0.20624%0.242CC..Hα-helixtrans-71.4-34175.200000113.3W200 W205 R206W200-G202 VanDerWaalsContact C-N 3.35Å; W200-G202 PolarHBondContact O-N 3.13Å; G202-W205 WeakPolarHBondContact O-CB 3.49Å; G202-W205 PolarHBondContact O-N 2.71Å; G202-R206 WeakPolarHBondContact O-CG 3.47Å; G202-R206 PolarHBondContact O-N 3.37Å; G202-R206 VanDerWaalsContact O-N 3.08Å
203E93.9Very high85.9Confident4 Ų436.3 Ų36.32%0.01921%0.213CC..Hα-helixtrans-67.3-45.7178.6-63.9-68.1102.600111.4L127 V131 L137 H138 N139 W200 W205 R206 L207L127-E203 HydrophobicContact CD1-CB 4.28Å; L127-E203 HydrophobicContact CD2-CB 4.45Å; V131-E203 HydrophobicContact CG2-CG 4.4Å; L137-E203 HydrophobicContact CB-CG 4.35Å; L137-E203 HydrophobicContact CD2-CG 3.93Å; H138-E203 WeakPolarHBondContact CA-OE2 3.47Å; H138-E203 WeakPolarHBondContact CB-OE2 3.46Å; H138-E203 VanDerWaalsContact N-CD 3.31Å; H138-E203 PolarHBondContact N-OE2 2.79Å; N139-E203 WeakPolarHBondContact CA-OE1 3.45Å; N139-E203 PolarHBondContact N-OE1 2.79Å; W200-E203 WeakPolarHBondContact O-CB 3.37Å; W200-E203 PolarHBondContact O-N 2.89Å; E203-W205 VanDerWaalsContact C-N 3.33Å; E203-R206 PolarHBondContact O-N 2.83Å; E203-L207 PolarHBondContact O-N 3.39Å
204V95.6Very high87.6Confident0 Ų031 Ų310%018%0.175CC..Hα-helixtrans-74.3-24.9179.1-57.60000112.5W200 A201 L207 G208 L242 R250 P253W200-V204 HydrophobicContact CB-CG1 4.37Å; W200-V204 WeakPolarHBondContact O-CG2 3.46Å; W200-V204 PolarHBondContact O-N 3.44Å; A201-V204 WeakPolarHBondContact O-CG2 3.31Å; V204-L207 WeakPolarHBondContact O-CB 3.3Å; V204-G208 PolarHBondContact O-N 2.82Å; V204-L242 HydrophobicContact CB-CD2 3.79Å; V204-L242 HydrophobicContact CG2-CD2 4.45Å; V204-R250 HydrophobicContact CG2-CB 3.52Å; V204-R250 HydrophobicContact CG2-CG 4.32Å; V204-P253 HydrophobicContact CG1-CG 3.73Å
205W96Very high89.6Confident17 Ų1724.2 Ų24.26%0.06414%0.138CC..Hα-helixtrans-63.2-47165.6173.4-87.8000111.7Y187 D188 P189 P190 A201 G202 E203 L207 G208 C209 T222 L225 V243Y187-W205 PolarHBondContact O-NE1 2.63Å; D188-W205 PolarHBondContact O-NE1 3.47Å; D188-W205 VanDerWaalsContact O-NE1 3.09Å; P189-W205 HydrophobicContact CB-CB 4.11Å; P189-W205 HydrophobicContact CB-CD2 4.19Å; P189-W205 HydrophobicContact CB-CG 3.79Å; P190-W205 HydrophobicContact CG-CE3 4.34Å; P190-W205 HydrophobicContact CG-CH2 4.01Å; P190-W205 HydrophobicContact CG-CZ3 3.86Å; A201-W205 WeakPolarHBondContact O-CB 3.42Å; A201-W205 PolarHBondContact O-N 3.06Å; A201-W205 VanDerWaalsContact O-N 3.17Å; G202-W205 WeakPolarHBondContact O-CB 3.49Å; G202-W205 PolarHBondContact O-N 2.71Å; E203-W205 VanDerWaalsContact C-N 3.33Å; W205-L207 VanDerWaalsContact C-N 3.32Å; W205-L207 PolarHBondContact O-N 3.26Å; W205-G208 CarbonylContact O-C 3.59Å; W205-G208 WeakPolarHBondContact O-CA 3.41Å; W205-G208 PolarHBondContact O-N 3.44Å; W205-C209 PolarHBondContact O-N 3.07Å; W205-T222 HydrophobicContact CZ2-CG2 3.76Å; W205-L225 HydrophobicContact CH2-CD1 4.11Å; W205-L225 HydrophobicContact CZ2-CD1 3.59Å; W205-V243 HydrophobicContact CE3-CB 4.39Å; W205-V243 HydrophobicContact CZ3-CB 4.13Å; W205-V243 VanDerWaalsContact CZ3-O 3.27Å; W205-V243 WeakPolarHBondContact CZ3-O 3.33Å
206R95.7Very high91.3Very high23 Ų2323.8 Ų23.89%0.08713%0.131CC..Hα-helixtrans-65.8-32.7176.6-68.9-175-160.5-77.34.3112.8N139 L141 Y187 D188 G202 E203 G208 C209 L210N139-R206 PolarHBondContact O-NE 3.49Å; N139-R206 PolarHBondContact O-NH2 3.27Å; L141-R206 HydrophobicContact CB-CB 3.92Å; L141-R206 HydrophobicContact CD2-CB 4.39Å; L141-R206 HydrophobicContact CG-CB 4.36Å; Y187-R206 PolarHBondContact O-NH1 3.26Å; D188-R206 IonicContact OD1-CZ 2.61Å; D188-R206 IonicContact OD1-NH1 2.67Å; D188-R206 PolarHBondContact OD1-NH1 3.39Å; D188-R206 VanDerWaalsContact OD1-NH1 3.09Å; D188-R206 IonicContact OD1-NH2 3.91Å; D188-R206 PolarHBondContact OD1-NH2 3.49Å; G202-R206 WeakPolarHBondContact O-CG 3.47Å; G202-R206 PolarHBondContact O-N 3.37Å; G202-R206 VanDerWaalsContact O-N 3.08Å; E203-R206 PolarHBondContact O-N 2.83Å; R206-G208 VanDerWaalsContact C-N 3.32Å; R206-C209 WeakPolarHBondContact O-CB 3.47Å; R206-C209 PolarHBondContact O-N 2.87Å; R206-L210 PolarHBondContact O-N 3.19Å
207L97.6Very high92.9Very high0 Ų020.6 Ų20.60%011%0.113CC..Hα-helixtrans-60.4-41167.2173.466.2000111.5V124 L127 L141 E203 V204 W205 L210 I211 L242 F256V124-L207 HydrophobicContact CG2-CD1 3.86Å; V124-L207 HydrophobicContact CG2-CD2 3.81Å; V124-L207 HydrophobicContact CG2-CG 4.45Å; L127-L207 HydrophobicContact CD2-CB 4.12Å; L127-L207 HydrophobicContact CD2-CD2 4.25Å; L141-L207 HydrophobicContact CD2-CB 3.99Å; E203-L207 PolarHBondContact O-N 3.39Å; V204-L207 WeakPolarHBondContact O-CB 3.3Å; W205-L207 VanDerWaalsContact C-N 3.32Å; W205-L207 PolarHBondContact O-N 3.26Å; L207-L210 PolarHBondContact O-N 2.94Å; L207-I211 HydrophobicContact CD1-CD1 4.19Å; L207-I211 HydrophobicContact CD1-CG1 4.48Å; L207-I211 HydrophobicContact CG-CD1 4.07Å; L207-I211 WeakPolarHBondContact O-CG1 3.26Å; L207-I211 PolarHBondContact O-N 2.86Å; L207-L242 HydrophobicContact CD2-CD1 4.01Å; L207-L242 HydrophobicContact CD2-CD2 4.17Å; L207-L242 HydrophobicContact CG-CD1 3.95Å; L207-F256 HydrophobicContact CD2-CD1 4.27Å; L207-F256 HydrophobicContact CD2-CE1 4.33Å
208G97.4Very high94Very high0 Ų024.3 Ų24.30%013%0.132CC..Hα-helixtrans-58.1-47.4171.300000112V204 W205 R206 L210 I211 W212 Y239V204-G208 PolarHBondContact O-N 2.82Å; W205-G208 CarbonylContact O-C 3.59Å; W205-G208 WeakPolarHBondContact O-CA 3.41Å; W205-G208 PolarHBondContact O-N 3.44Å; R206-G208 VanDerWaalsContact C-N 3.32Å; G208-L210 PolarHBondContact O-N 2.94Å; G208-I211 PolarHBondContact O-N 2.88Å; G208-W212 PolarHBondContact O-N 3.45Å; G208-Y239 WeakPolarHBondContact O-CE2 3.38Å
209C97.4Very high94.5Very high0 Ų020.2 Ų20.20%011%0.113CC..Hα-helixtrans-57.5-46.6173.6-63.20000112.6Y187 W205 R206 I211 W212 E213Y187-C209 HydrophobicContact CD1-CB 3.89Å; W205-C209 PolarHBondContact O-N 3.07Å; R206-C209 WeakPolarHBondContact O-CB 3.47Å; R206-C209 PolarHBondContact O-N 2.87Å; C209-I211 PolarHBondContact O-N 3.42Å; C209-W212 WeakPolarHBondContact O-CB 3.18Å; C209-W212 PolarHBondContact O-N 3.12Å; C209-E213 WeakPolarHBondContact O-CG 3.37Å; C209-E213 PolarHBondContact O-N 3.17Å
210L97.5Very high94.9Very high0 Ų020.7 Ų20.70%012%0.124CC..Hα-helixtrans-58.8-46176.6171.463.4000111.7L98 I123 L141 I143 V146 R206 L207 G208 W212 E213 V214L98-L210 HydrophobicContact CD2-CD1 4.33Å; I123-L210 HydrophobicContact CG2-CD2 3.9Å; L141-L210 HydrophobicContact CD1-CD2 4.08Å; I143-L210 HydrophobicContact CB-CD1 4.3Å; V146-L210 HydrophobicContact CG2-CD1 4.24Å; V146-L210 HydrophobicContact CG2-CD2 3.93Å; R206-L210 PolarHBondContact O-N 3.19Å; L207-L210 PolarHBondContact O-N 2.94Å; G208-L210 PolarHBondContact O-N 2.94Å; L210-W212 VanDerWaalsContact C-N 3.29Å; L210-W212 PolarHBondContact O-N 3.4Å; L210-E213 PolarHBondContact O-N 2.92Å; L210-V214 HydrophobicContact CD1-CG2 4.03Å; L210-V214 HydrophobicContact CG-CG2 4.45Å; L210-V214 VanDerWaalsContact O-CG2 3.31Å; L210-V214 WeakPolarHBondContact O-CG2 3.47Å; L210-V214 PolarHBondContact O-N 2.78Å
211I97.5Very high95Very high1 Ų126 Ų261%0.00514%0.144CC..Hα-helixtrans-59.1-42.6175.8-72.6163.7000110.6L120 L207 G208 C209 E213 F215 L235 Y239 L242 F256L120-I211 HydrophobicContact CD1-CG1 4.11Å; L120-I211 HydrophobicContact CD2-CG1 3.67Å; L207-I211 HydrophobicContact CD1-CD1 4.19Å; L207-I211 HydrophobicContact CD1-CG1 4.48Å; L207-I211 HydrophobicContact CG-CD1 4.07Å; L207-I211 WeakPolarHBondContact O-CG1 3.26Å; L207-I211 PolarHBondContact O-N 2.86Å; G208-I211 PolarHBondContact O-N 2.88Å; C209-I211 PolarHBondContact O-N 3.42Å; I211-E213 PolarHBondContact O-N 2.84Å; I211-F215 HydrophobicContact CG2-CD2 4.31Å; I211-F215 HydrophobicContact CG2-CE2 4.33Å; I211-F215 VanDerWaalsContact O-CD2 3.31Å; I211-F215 WeakPolarHBondContact O-CD2 3.46Å; I211-F215 PolarHBondContact O-N 2.68Å; I211-L235 HydrophobicContact CG2-CD2 3.74Å; I211-L235 HydrophobicContact CG2-CG 4.48Å; I211-Y239 HydrophobicContact CB-CD2 4.26Å; I211-Y239 HydrophobicContact CG2-CD2 3.76Å; I211-Y239 HydrophobicContact CG2-CE2 4.47Å; I211-L242 HydrophobicContact CD1-CD1 3.57Å; I211-F256 HydrophobicContact CD1-CE1 4.35Å; I211-F256 HydrophobicContact CD1-CZ 3.84Å
212W97.3Very high95Very high18 Ų1828.4 Ų28.47%0.06816%0.158CC..Hα-helixtrans-61.2-44.6175.7-166.992.1000111.9G208 C209 L210 F215 N216 G217 L219 S224 L225 S227 Y239G208-W212 PolarHBondContact O-N 3.45Å; C209-W212 WeakPolarHBondContact O-CB 3.18Å; C209-W212 PolarHBondContact O-N 3.12Å; L210-W212 VanDerWaalsContact C-N 3.29Å; L210-W212 PolarHBondContact O-N 3.4Å; W212-F215 PolarHBondContact O-N 3.48Å; W212-N216 HydrophobicContact CD2-CB 3.96Å; W212-N216 HydrophobicContact CE3-CB 3.89Å; W212-N216 HydrophobicContact CH2-CB 3.64Å; W212-N216 HydrophobicContact CZ2-CB 3.72Å; W212-N216 HydrophobicContact CZ3-CB 3.72Å; W212-N216 VanDerWaalsContact O-CB 3.29Å; W212-N216 WeakPolarHBondContact O-CB 3.45Å; W212-N216 PolarHBondContact O-N 3.32Å; W212-N216 PolarHBondContact O-ND2 3.24Å; W212-G217 VanDerWaalsContact CZ3-O 3.31Å; W212-G217 WeakPolarHBondContact CZ3-O 3.07Å; W212-L219 HydrophobicContact CD2-CD1 3.89Å; W212-L219 HydrophobicContact CE3-CB 4.23Å; W212-L219 HydrophobicContact CE3-CD1 3.55Å; W212-L219 HydrophobicContact CH2-CD1 4.41Å; W212-L219 HydrophobicContact CZ3-CB 4.32Å; W212-L219 HydrophobicContact CZ3-CD1 3.85Å; W212-S224 PolarHBondContact NE1-O 2.82Å; W212-S224 VanDerWaalsContact NE1-O 3.14Å; W212-L225 HydrophobicContact CB-CD2 3.77Å; W212-L225 HydrophobicContact CG-CD2 3.9Å; W212-S227 PolarHBondContact NE1-O 3.46Å; W212-Y239 HydrophobicContact CB-CE2 4.08Å; W212-Y239 VanDerWaalsContact CD1-OH 3.31Å
213E95.7Very high95Very high2 Ų230.1 Ų30.11%0.00917%0.167CC..Hα-helixtrans-67.8-36-178.7-70.1-167.9130.400113.7I143 Y187 C209 L210 I211 F215 G217 L219I143-E213 HydrophobicContact CB-CB 4.41Å; I143-E213 HydrophobicContact CD1-CB 4.47Å; I143-E213 WeakPolarHBondContact CG2-OE2 3.36Å; I143-E213 PolarHBondContact N-OE2 3.5Å; Y187-E213 WeakPolarHBondContact CE1-OE1 3.36Å; Y187-E213 PolarHBondContact OH-OE1 3.44Å; C209-E213 WeakPolarHBondContact O-CG 3.37Å; C209-E213 PolarHBondContact O-N 3.17Å; L210-E213 PolarHBondContact O-N 2.92Å; I211-E213 PolarHBondContact O-N 2.84Å; E213-F215 VanDerWaalsContact C-N 3.32Å; E213-F215 PolarHBondContact O-N 3.28Å; E213-G217 VanDerWaalsContact CA-O 3.3Å; E213-G217 WeakPolarHBondContact CA-O 3.31Å; E213-G217 VanDerWaalsContact O-CA 3.29Å; E213-G217 WeakPolarHBondContact O-CA 3.21Å; E213-G217 PolarHBondContact O-N 2.87Å; E213-L219 HydrophobicContact CG-CB 3.87Å; E213-L219 WeakPolarHBondContact OE1-CB 3.27Å; E213-L219 PolarHBondContact OE1-N 3.04Å
214V95.7Very high95Very high14 Ų1430.8 Ų30.89%0.08517%0.172CC..Hα-helixtrans-60.3-41177164.60000111.8L98 L102 I116 W154 L210L98-V214 HydrophobicContact CD2-CG2 4.13Å; L102-V214 HydrophobicContact CD1-CG1 4.42Å; L102-V214 HydrophobicContact CD1-CG2 4.28Å; I116-V214 HydrophobicContact CB-CG1 4.44Å; I116-V214 HydrophobicContact CD1-CG1 4.15Å; I116-V214 HydrophobicContact CG1-CG1 4.03Å; I116-V214 HydrophobicContact CG2-CG1 3.58Å; W154-V214 HydrophobicContact CH2-CG1 3.93Å; W154-V214 HydrophobicContact CH2-CG2 3.71Å; W154-V214 HydrophobicContact CZ3-CG2 3.96Å; L210-V214 HydrophobicContact CD1-CG2 4.03Å; L210-V214 HydrophobicContact CG-CG2 4.45Å; L210-V214 VanDerWaalsContact O-CG2 3.31Å; L210-V214 WeakPolarHBondContact O-CG2 3.47Å; L210-V214 PolarHBondContact O-N 2.78Å
215F94.3Very high94.9Very high23 Ų2331 Ų3110%0.10117%0.173CC..Hα-helixtrans-89.5-30.3-179.6-69.3-71.5000113.9I116 L120 I211 W212 E213 K230 I231 P232 L235 F266I116-F215 HydrophobicContact CD1-CE1 4.1Å; I116-F215 HydrophobicContact CG2-CE1 3.92Å; I116-F215 HydrophobicContact CG2-CE2 4.07Å; I116-F215 HydrophobicContact CG2-CZ 3.45Å; I116-F215 VanDerWaalsContact CG2-CZ 3.45Å; L120-F215 HydrophobicContact CD1-CE2 4.23Å; I211-F215 HydrophobicContact CG2-CD2 4.31Å; I211-F215 HydrophobicContact CG2-CE2 4.33Å; I211-F215 VanDerWaalsContact O-CD2 3.31Å; I211-F215 WeakPolarHBondContact O-CD2 3.46Å; I211-F215 PolarHBondContact O-N 2.68Å; W212-F215 PolarHBondContact O-N 3.48Å; E213-F215 VanDerWaalsContact C-N 3.32Å; E213-F215 PolarHBondContact O-N 3.28Å; F215-K230 HydrophobicContact CB-CB 4.18Å; F215-K230 WeakPolarHBondContact O-CB 3.14Å; F215-K230 WeakPolarHBondContact O-CD 3.38Å; F215-I231 HydrophobicContact CB-CG1 4.11Å; F215-I231 HydrophobicContact CD2-CB 4.49Å; F215-I231 HydrophobicContact CD2-CG1 3.99Å; F215-I231 HydrophobicContact CG-CG1 4.32Å; F215-P232 HydrophobicContact CD1-CG 4.3Å; F215-P232 HydrophobicContact CE1-CG 3.59Å; F215-P232 HydrophobicContact CZ-CG 3.72Å; F215-L235 HydrophobicContact CE2-CD2 3.7Å; F215-L235 HydrophobicContact CZ-CD2 4.32Å; F215-F266 HydrophobicContact CE1-CZ 4.45Å; F215-F266 HydrophobicContact CZ-CE1 4.03Å; F215-F266 AromaticContact CZ-CZ 3.81Å; F215-F266 HydrophobicContact CZ-CZ 3.81Å
216N93.8Very high94.7Very high47 Ų4740.9 Ų40.925%0.25121%0.211SC..Hα-helixtrans-113.7-6.1-170.1-59-72.9000115.1W212 L228 G229 K230W212-N216 HydrophobicContact CD2-CB 3.96Å; W212-N216 HydrophobicContact CE3-CB 3.89Å; W212-N216 HydrophobicContact CH2-CB 3.64Å; W212-N216 HydrophobicContact CZ2-CB 3.72Å; W212-N216 HydrophobicContact CZ3-CB 3.72Å; W212-N216 VanDerWaalsContact O-CB 3.29Å; W212-N216 WeakPolarHBondContact O-CB 3.45Å; W212-N216 PolarHBondContact O-N 3.32Å; W212-N216 PolarHBondContact O-ND2 3.24Å; N216-L228 PolarHBondContact ND2-O 3.23Å; N216-G229 WeakPolarHBondContact OD1-CA 3.43Å; N216-K230 PolarHBondContact OD1-N 3.3Å
217G92.4Very high94.6Very high25 Ų2542.9 Ų42.926%0.25823%0.228SC..  trans82.7-173-171.600000113.1W212 E213 L219W212-G217 VanDerWaalsContact CZ3-O 3.31Å; W212-G217 WeakPolarHBondContact CZ3-O 3.07Å; E213-G217 VanDerWaalsContact CA-O 3.3Å; E213-G217 WeakPolarHBondContact CA-O 3.31Å; E213-G217 VanDerWaalsContact O-CA 3.29Å; E213-G217 WeakPolarHBondContact O-CA 3.21Å; E213-G217 PolarHBondContact O-N 2.87Å; G217-L219 PolarHBondContact O-N 3.42Å
218P92Very high94.5Very high106 Ų10645.9 Ų45.969%0.68824%0.244SC*.SBendtrans-56.1131.1-170-26.835.2000114P220P218-P220 VanDerWaalsContact O-CD 3.26Å; P218-P220 WeakPolarHBondContact O-CD 3.43Å
219L94Very high94.3Very high1 Ų148.9 Ų48.91%0.00528%0.275CS..  trans-64.9116.5-177-175.869000110.4K186 Y187 W212 E213 G217 L225K186-L219 WeakPolarHBondContact CD-O 3.29Å; K186-L219 VanDerWaalsContact CE-O 3.31Å; K186-L219 WeakPolarHBondContact CE-O 3.45Å; K186-L219 HydrophobicContact CG-CD2 4.49Å; K186-L219 PolarHBondContact NZ-O 2.92Å; Y187-L219 HydrophobicContact CD1-CD2 3.71Å; Y187-L219 HydrophobicContact CE1-CB 3.72Å; Y187-L219 HydrophobicContact CE1-CD2 3.68Å; Y187-L219 HydrophobicContact CE1-CG 4.33Å; W212-L219 HydrophobicContact CD2-CD1 3.89Å; W212-L219 HydrophobicContact CE3-CB 4.23Å; W212-L219 HydrophobicContact CE3-CD1 3.55Å; W212-L219 HydrophobicContact CH2-CD1 4.41Å; W212-L219 HydrophobicContact CZ3-CB 4.32Å; W212-L219 HydrophobicContact CZ3-CD1 3.85Å; E213-L219 HydrophobicContact CG-CB 3.87Å; E213-L219 WeakPolarHBondContact OE1-CB 3.27Å; E213-L219 PolarHBondContact OE1-N 3.04Å; G217-L219 PolarHBondContact O-N 3.42Å; L219-L225 HydrophobicContact CD1-CD2 3.78Å; L219-L225 HydrophobicContact CD1-CG 4.14Å; L219-L225 HydrophobicContact CD2-CD2 4.23Å; L219-L225 HydrophobicContact CD2-CG 4.5Å
220P92.9Very high94.1Very high87 Ų8756.6 Ų56.657%0.56531%0.308SS*.  trans-77.3-34.3-178.629.5-33.8000111.9P218P218-P220 VanDerWaalsContact O-CD 3.26Å; P218-P220 WeakPolarHBondContact O-CD 3.43Å
221R93.3Very high94.1Very high156 Ų15657.1 Ų57.159%0.58931%0.311SS*.  trans-166.3153.5179.961.3-176.7-164143.18.3111.2S223 S224R221-S223 VanDerWaalsContact C-N 3.25Å; R221-S223 PolarHBondContact NE-OG 3.17Å; R221-S223 PolarHBondContact NH1-OG 2.9Å; R221-S223 PolarHBondContact O-N 2.93Å; R221-S223 VanDerWaalsContact O-N 3.13Å; R221-S224 WeakPolarHBondContact O-CB 3.41Å; R221-S224 PolarHBondContact O-N 3.43Å
222T92.3Very high94Very high52 Ų5257.7 Ų57.732%0.31931%0.314SS..G310 helixtrans-54.8-34.7-176.6-36.20000114.2K186 W205 S224 L225K186-T222 VanDerWaalsContact CA-OG1 3.3Å; K186-T222 WeakPolarHBondContact CA-OG1 3.31Å; K186-T222 WeakPolarHBondContact O-CB 3.5Å; K186-T222 WeakPolarHBondContact O-CG2 3.4Å; K186-T222 PolarHBondContact O-OG1 3.25Å; W205-T222 HydrophobicContact CZ2-CG2 3.76Å; T222-S224 PolarHBondContact O-N 3.14Å; T222-L225 HydrophobicContact CG2-CD1 4.13Å; T222-L225 WeakPolarHBondContact O-CB 3.24Å; T222-L225 VanDerWaalsContact O-CG 3.28Å; T222-L225 WeakPolarHBondContact O-CG 3.45Å; T222-L225 PolarHBondContact O-N 2.93Å
223S92.1Very high93.9Very high56 Ų5666.1 Ų66.139%0.39235%0.352SS..G310 helixtrans-69.7-16.3179.640.10000114.1R221 L225 R226R221-S223 VanDerWaalsContact C-N 3.25Å; R221-S223 PolarHBondContact NE-OG 3.17Å; R221-S223 PolarHBondContact NH1-OG 2.9Å; R221-S223 PolarHBondContact O-N 2.93Å; R221-S223 VanDerWaalsContact O-N 3.13Å; S223-L225 PolarHBondContact O-N 3.45Å; S223-R226 PolarHBondContact O-N 3.4Å
224S94.4Very high93.9Very high18 Ų1868.3 Ų68.313%0.12637%0.367CS..G310 helixtrans-71.4-14.9173.3-620000113.4W212 R221 T222 R226 S227W212-S224 PolarHBondContact NE1-O 2.82Å; W212-S224 VanDerWaalsContact NE1-O 3.14Å; R221-S224 WeakPolarHBondContact O-CB 3.41Å; R221-S224 PolarHBondContact O-N 3.43Å; T222-S224 PolarHBondContact O-N 3.14Å; S224-R226 PolarHBondContact O-N 3.08Å; S224-R226 VanDerWaalsContact O-N 3.09Å; S224-S227 PolarHBondContact O-N 2.99Å; S224-S227 PolarHBondContact O-OG 3.18Å
225L94Very high93.9Very high4 Ų467.7 Ų67.72%0.02136%0.363CS..G310 helixtrans-60.5-18.4171.6-61.7173000112.7W205 W212 L219 T222 S223 Y239 V243W205-L225 HydrophobicContact CH2-CD1 4.11Å; W205-L225 HydrophobicContact CZ2-CD1 3.59Å; W212-L225 HydrophobicContact CB-CD2 3.77Å; W212-L225 HydrophobicContact CG-CD2 3.9Å; L219-L225 HydrophobicContact CD1-CD2 3.78Å; L219-L225 HydrophobicContact CD1-CG 4.14Å; L219-L225 HydrophobicContact CD2-CD2 4.23Å; L219-L225 HydrophobicContact CD2-CG 4.5Å; T222-L225 HydrophobicContact CG2-CD1 4.13Å; T222-L225 WeakPolarHBondContact O-CB 3.24Å; T222-L225 VanDerWaalsContact O-CG 3.28Å; T222-L225 WeakPolarHBondContact O-CG 3.45Å; T222-L225 PolarHBondContact O-N 2.93Å; S223-L225 PolarHBondContact O-N 3.45Å; L225-Y239 VanDerWaalsContact CA-OH 3.31Å; L225-Y239 WeakPolarHBondContact CA-OH 3.28Å; L225-Y239 WeakPolarHBondContact CB-OH 3.47Å; L225-Y239 PolarHBondContact O-OH 3.41Å; L225-V243 HydrophobicContact CB-CG1 4.39Å; L225-V243 HydrophobicContact CD1-CG1 4.25Å; L225-V243 HydrophobicContact CD2-CG1 4.46Å
226R92.2Very high94Very high226 Ų22668 Ų6885%0.85337%0.367SS*.G310 helixtrans-80.4-19.1174.4-59.6-173.2-178.4-157.20.7113.8S223 S224S223-R226 PolarHBondContact O-N 3.4Å; S224-R226 PolarHBondContact O-N 3.08Å; S224-R226 VanDerWaalsContact O-N 3.09Å
227S93.8Very high94.1Very high64 Ų6469.2 Ų69.245%0.44838%0.378SS..  trans-93.8104.6172.942.40000109.2W212 S224 G229W212-S227 PolarHBondContact NE1-O 3.46Å; S224-S227 PolarHBondContact O-N 2.99Å; S224-S227 PolarHBondContact O-OG 3.18Å; S227-G229 VanDerWaalsContact C-N 3.25Å; S227-G229 PolarHBondContact O-N 2.97Å
228L93.9Very high94.3Very high64 Ų6469.7 Ų69.734%0.33537%0.373SS..  trans-59.6-33.8-175.3-58.2173.2000113.2N216 K230 I231 V236 Y239N216-L228 PolarHBondContact ND2-O 3.23Å; L228-K230 PolarHBondContact O-N 3.37Å; L228-I231 WeakPolarHBondContact O-CD1 3.22Å; L228-I231 VanDerWaalsContact O-CG1 3.26Å; L228-I231 WeakPolarHBondContact O-CG1 3.49Å; L228-I231 PolarHBondContact O-N 3.45Å; L228-V236 HydrophobicContact CD1-CB 4.5Å; L228-V236 HydrophobicContact CD1-CG1 3.61Å; L228-V236 HydrophobicContact CD1-CG2 3.98Å; L228-V236 HydrophobicContact CD2-CG1 4.13Å; L228-V236 HydrophobicContact CD2-CG2 4.39Å; L228-Y239 HydrophobicContact CD2-CD1 3.78Å; L228-Y239 HydrophobicContact CD2-CE1 3.75Å
229G93.6Very high94.5Very high63 Ų6364.6 Ų64.665%0.64934%0.34SS*.THydrogen-bonded Turntrans58.3-117.5178.400000112.1N216 S227N216-G229 WeakPolarHBondContact OD1-CA 3.43Å; S227-G229 VanDerWaalsContact C-N 3.25Å; S227-G229 PolarHBondContact O-N 2.97Å
230K93.8Very high94.6Very high162 Ų16267.6 Ų67.670%0.70436%0.36SS*.THydrogen-bonded Turntrans-916.6-177.6-64.3-174.6177.4-1770115.1F215 N216 L228 P232F215-K230 HydrophobicContact CB-CB 4.18Å; F215-K230 WeakPolarHBondContact O-CB 3.14Å; F215-K230 WeakPolarHBondContact O-CD 3.38Å; N216-K230 PolarHBondContact OD1-N 3.3Å; L228-K230 PolarHBondContact O-N 3.37Å; K230-P232 WeakPolarHBondContact O-CD 3.39Å
231I96.3Very high94.7Very high10 Ų1067.1 Ų67.15%0.05135%0.35CS..  trans-63.9125.8-179.6-64.8168.8000110.4F215 L228 L235 V236 Y239F215-I231 HydrophobicContact CB-CG1 4.11Å; F215-I231 HydrophobicContact CD2-CB 4.49Å; F215-I231 HydrophobicContact CD2-CG1 3.99Å; F215-I231 HydrophobicContact CG-CG1 4.32Å; L228-I231 WeakPolarHBondContact O-CD1 3.22Å; L228-I231 VanDerWaalsContact O-CG1 3.26Å; L228-I231 WeakPolarHBondContact O-CG1 3.49Å; L228-I231 PolarHBondContact O-N 3.45Å; I231-L235 HydrophobicContact CG2-CB 4.15Å; I231-L235 HydrophobicContact CG2-CD2 4.29Å; I231-L235 HydrophobicContact CG2-CG 4.3Å; I231-V236 HydrophobicContact CB-CG2 4.37Å; I231-V236 HydrophobicContact CG2-CG2 3.92Å; I231-Y239 HydrophobicContact CD1-CD1 3.94Å; I231-Y239 HydrophobicContact CD1-CD2 3.8Å; I231-Y239 HydrophobicContact CD1-CE1 3.89Å; I231-Y239 HydrophobicContact CD1-CE2 3.72Å; I231-Y239 HydrophobicContact CD1-CG 3.91Å
232P95.4Very high94.8Very high13 Ų1359.7 Ų59.78%0.08432%0.322CS..  trans-58.6141.8-179-2937.3000113.6F215 K230 S234 L235 V236 F266F215-P232 HydrophobicContact CD1-CG 4.3Å; F215-P232 HydrophobicContact CE1-CG 3.59Å; F215-P232 HydrophobicContact CZ-CG 3.72Å; K230-P232 WeakPolarHBondContact O-CD 3.39Å; P232-S234 PolarHBondContact O-N 3.47Å; P232-S234 VanDerWaalsContact O-N 3.13Å; P232-L235 WeakPolarHBondContact O-CA 3.38Å; P232-L235 WeakPolarHBondContact O-CB 3.41Å; P232-L235 PolarHBondContact O-N 2.88Å; P232-V236 PolarHBondContact O-N 3.45Å; P232-V236 VanDerWaalsContact O-N 3.13Å; P232-F266 HydrophobicContact CB-CD2 3.86Å; P232-F266 HydrophobicContact CB-CE2 3.92Å; P232-F266 HydrophobicContact CG-CD2 4.09Å; P232-F266 HydrophobicContact CG-CE2 3.66Å; P232-F266 HydrophobicContact CG-CZ 4.21Å
233K95.3Very high95Very high196 Ų19658.5 Ų58.585%0.85232%0.315SS*.THydrogen-bonded Turntrans-57.3-32.7-172.9-64.9178.8-176.1171.90113.7L235 P237K233-L235 VanDerWaalsContact C-N 3.3Å; K233-P237 WeakPolarHBondContact O-CD 3.21Å
234S95.8Very high95Very high47 Ų4756.8 Ų56.833%0.32931%0.306SS..THydrogen-bonded Turntrans-74.8-14.1176.448.80000114.2P232 G264P232-S234 PolarHBondContact O-N 3.47Å; P232-S234 VanDerWaalsContact O-N 3.13Å; S234-G264 WeakPolarHBondContact CB-O 3.42Å
235L96.6Very high94.7Very high2 Ų260 Ų601%0.0133%0.333CS..THydrogen-bonded Turntrans-98.9-27.2174.5-171.158.4000112.6L120 I211 F215 I231 P232 K233 P237 H238 Y239 F256 F266L120-L235 HydrophobicContact CD1-CD2 4.2Å; I211-L235 HydrophobicContact CG2-CD2 3.74Å; I211-L235 HydrophobicContact CG2-CG 4.48Å; F215-L235 HydrophobicContact CE2-CD2 3.7Å; F215-L235 HydrophobicContact CZ-CD2 4.32Å; I231-L235 HydrophobicContact CG2-CB 4.15Å; I231-L235 HydrophobicContact CG2-CD2 4.29Å; I231-L235 HydrophobicContact CG2-CG 4.3Å; P232-L235 WeakPolarHBondContact O-CA 3.38Å; P232-L235 WeakPolarHBondContact O-CB 3.41Å; P232-L235 PolarHBondContact O-N 2.88Å; K233-L235 VanDerWaalsContact C-N 3.3Å; L235-P237 VanDerWaalsContact C-CD 3.5Å; L235-H238 PolarHBondContact O-N 3.21Å; L235-Y239 WeakPolarHBondContact O-CB 3.46Å; L235-Y239 PolarHBondContact O-N 2.93Å; L235-F256 HydrophobicContact CD1-CZ 4.16Å; L235-F266 HydrophobicContact CB-CB 3.87Å; L235-F266 HydrophobicContact CB-CD1 4.39Å; L235-F266 HydrophobicContact CB-CG 4.07Å; L235-F266 HydrophobicContact CD1-CB 4.28Å; L235-F266 HydrophobicContact CD1-CD1 4.39Å; L235-F266 HydrophobicContact CD2-CD1 3.94Å; L235-F266 HydrophobicContact CD2-CE1 4.35Å; L235-F266 HydrophobicContact CD2-CG 4.44Å; L235-F266 HydrophobicContact CG-CD1 4.48Å
236V96.7Very high94.4Very high30 Ų3064.3 Ų64.318%0.18236%0.357CS..Hα-helixtrans-48.1-47.1-176.81660000114.5L228 I231 P232 H238 Y239 C240L228-V236 HydrophobicContact CD1-CB 4.5Å; L228-V236 HydrophobicContact CD1-CG1 3.61Å; L228-V236 HydrophobicContact CD1-CG2 3.98Å; L228-V236 HydrophobicContact CD2-CG1 4.13Å; L228-V236 HydrophobicContact CD2-CG2 4.39Å; I231-V236 HydrophobicContact CB-CG2 4.37Å; I231-V236 HydrophobicContact CG2-CG2 3.92Å; P232-V236 PolarHBondContact O-N 3.45Å; P232-V236 VanDerWaalsContact O-N 3.13Å; V236-H238 PolarHBondContact O-N 3.3Å; V236-Y239 PolarHBondContact O-N 2.93Å; V236-C240 PolarHBondContact O-N 3.24Å; V236-C240 PolarHBondContact O-SG 2.99Å; V236-C240 VanDerWaalsContact O-SG 3.32Å
237P95.5Very high94.3Very high72 Ų7254.2 Ų54.247%0.46832%0.321SS..Hα-helixtrans-59.5-48.3-179.1-24.434.9000112.2K233 L235 C240 E241K233-P237 WeakPolarHBondContact O-CD 3.21Å; L235-P237 VanDerWaalsContact C-CD 3.5Å; P237-C240 WeakPolarHBondContact O-CB 3.44Å; P237-C240 PolarHBondContact O-N 2.98Å; P237-E241 PolarHBondContact O-N 3.41Å
238H96.1Very high94.1Very high34 Ų3458.5 Ų58.516%0.15733%0.327CS..Hα-helixtrans-72.3-35.6-178.5-54.2-53.8000112.1L235 V236 C240 E241 L242 F256 C260L235-H238 PolarHBondContact O-N 3.21Å; V236-H238 PolarHBondContact O-N 3.3Å; H238-C240 VanDerWaalsContact C-N 3.3Å; H238-C240 PolarHBondContact O-N 3.07Å; H238-E241 IonicContact ND1-OE2 3.41Å; H238-E241 PolarHBondContact ND1-OE2 2.88Å; H238-E241 WeakPolarHBondContact O-CB 3.48Å; H238-E241 PolarHBondContact O-N 3.25Å; H238-E241 VanDerWaalsContact O-N 3.15Å; H238-L242 WeakPolarHBondContact O-CG 3.03Å; H238-L242 PolarHBondContact O-N 3.46Å; H238-L242 VanDerWaalsContact O-N 3.17Å; H238-F256 HydrophobicContact CB-CD2 4.04Å; H238-F256 HydrophobicContact CB-CE2 3.53Å; H238-F256 HydrophobicContact CB-CZ 4.35Å; H238-C260 VanDerWaalsContact CB-SG 3.57Å; H238-C260 PolarHBondContact CD2-SG 3.35Å; H238-C260 VanDerWaalsContact CG-SG 3.6Å
239Y97.2Very high93.9Very high0 Ų058.5 Ų58.50%034%0.336CS..Hα-helixtrans-56.9-43.8169.8166.8-94.4000111.6G208 I211 W212 L225 L228 I231 L235 V236 E241 L242 V243G208-Y239 WeakPolarHBondContact O-CE2 3.38Å; I211-Y239 HydrophobicContact CB-CD2 4.26Å; I211-Y239 HydrophobicContact CG2-CD2 3.76Å; I211-Y239 HydrophobicContact CG2-CE2 4.47Å; W212-Y239 HydrophobicContact CB-CE2 4.08Å; W212-Y239 VanDerWaalsContact CD1-OH 3.31Å; L225-Y239 VanDerWaalsContact CA-OH 3.31Å; L225-Y239 WeakPolarHBondContact CA-OH 3.28Å; L225-Y239 WeakPolarHBondContact CB-OH 3.47Å; L225-Y239 PolarHBondContact O-OH 3.41Å; L228-Y239 HydrophobicContact CD2-CD1 3.78Å; L228-Y239 HydrophobicContact CD2-CE1 3.75Å; I231-Y239 HydrophobicContact CD1-CD1 3.94Å; I231-Y239 HydrophobicContact CD1-CD2 3.8Å; I231-Y239 HydrophobicContact CD1-CE1 3.89Å; I231-Y239 HydrophobicContact CD1-CE2 3.72Å; I231-Y239 HydrophobicContact CD1-CG 3.91Å; L235-Y239 WeakPolarHBondContact O-CB 3.46Å; L235-Y239 PolarHBondContact O-N 2.93Å; V236-Y239 PolarHBondContact O-N 2.93Å; Y239-E241 VanDerWaalsContact C-N 3.29Å; Y239-E241 PolarHBondContact O-N 3.22Å; Y239-L242 WeakPolarHBondContact O-CB 3.08Å; Y239-L242 PolarHBondContact O-N 2.8Å; Y239-L242 VanDerWaalsContact O-N 3.1Å; Y239-V243 HydrophobicContact CD1-CG2 4.26Å; Y239-V243 HydrophobicContact CE1-CG2 3.66Å; Y239-V243 HydrophobicContact CE2-CG1 3.86Å; Y239-V243 HydrophobicContact CE2-CG2 4.38Å; Y239-V243 PolarHBondContact O-N 3.47Å
240C96.1Very high93.9Very high63 Ų6355.7 Ų55.743%0.42631%0.306SS..Hα-helixtrans-65.7-28.5176.6-71.90000113.3V236 P237 H238 G244V236-C240 PolarHBondContact O-N 3.24Å; V236-C240 PolarHBondContact O-SG 2.99Å; V236-C240 VanDerWaalsContact O-SG 3.32Å; P237-C240 WeakPolarHBondContact O-CB 3.44Å; P237-C240 PolarHBondContact O-N 2.98Å; H238-C240 VanDerWaalsContact C-N 3.3Å; H238-C240 PolarHBondContact O-N 3.07Å; C240-G244 PolarHBondContact O-N 3.15Å
241E95.1Very high94Very high78 Ų7848.6 Ų48.636%0.36428%0.277SS..Hα-helixtrans-66.1-38.5170.2-63.3173.115500111.5P237 H238 Y239 P251P237-E241 PolarHBondContact O-N 3.41Å; H238-E241 IonicContact ND1-OE2 3.41Å; H238-E241 PolarHBondContact ND1-OE2 2.88Å; H238-E241 WeakPolarHBondContact O-CB 3.48Å; H238-E241 PolarHBondContact O-N 3.25Å; H238-E241 VanDerWaalsContact O-N 3.15Å; Y239-E241 VanDerWaalsContact C-N 3.29Å; Y239-E241 PolarHBondContact O-N 3.22Å; E241-P251 HydrophobicContact CB-CG 4.29Å
242L95.8Very high94Very high0 Ų049.4 Ų49.40%028%0.281CS..Hα-helixtrans-68.7-49.5178.1-62.2179.2000112.8V204 L207 I211 H238 Y239 G244 R250 P251 F256V204-L242 HydrophobicContact CB-CD2 3.79Å; V204-L242 HydrophobicContact CG2-CD2 4.45Å; L207-L242 HydrophobicContact CD2-CD1 4.01Å; L207-L242 HydrophobicContact CD2-CD2 4.17Å; L207-L242 HydrophobicContact CG-CD1 3.95Å; I211-L242 HydrophobicContact CD1-CD1 3.57Å; H238-L242 WeakPolarHBondContact O-CG 3.03Å; H238-L242 PolarHBondContact O-N 3.46Å; H238-L242 VanDerWaalsContact O-N 3.17Å; Y239-L242 WeakPolarHBondContact O-CB 3.08Å; Y239-L242 PolarHBondContact O-N 2.8Å; Y239-L242 VanDerWaalsContact O-N 3.1Å; L242-G244 PolarHBondContact O-N 2.87Å; L242-R250 VanDerWaalsContact O-CD 3.24Å; L242-R250 WeakPolarHBondContact O-CD 3.37Å; L242-R250 PolarHBondContact O-NE 2.88Å; L242-P251 HydrophobicContact CD2-CG 4.38Å; L242-F256 HydrophobicContact CD1-CD2 4.05Å; L242-F256 HydrophobicContact CD1-CE1 4.48Å; L242-F256 HydrophobicContact CD1-CE2 3.42Å; L242-F256 VanDerWaalsContact CD1-CE2 3.42Å; L242-F256 HydrophobicContact CD1-CZ 3.69Å; L242-F256 HydrophobicContact CD2-CD2 3.67Å; L242-F256 HydrophobicContact CD2-CE2 3.94Å; L242-F256 HydrophobicContact CD2-CG 4.25Å; L242-F256 HydrophobicContact CG-CD2 3.88Å; L242-F256 HydrophobicContact CG-CE2 3.62Å; L242-F256 HydrophobicContact CG-CZ 4.39Å
243V95Very high94Very high26 Ų2648.8 Ų48.816%0.15828%0.277CS..THydrogen-bonded Turntrans-86.420.6179.5-55.60000113W205 L225 Y239W205-V243 HydrophobicContact CE3-CB 4.39Å; W205-V243 HydrophobicContact CZ3-CB 4.13Å; W205-V243 VanDerWaalsContact CZ3-O 3.27Å; W205-V243 WeakPolarHBondContact CZ3-O 3.33Å; L225-V243 HydrophobicContact CB-CG1 4.39Å; L225-V243 HydrophobicContact CD1-CG1 4.25Å; L225-V243 HydrophobicContact CD2-CG1 4.46Å; Y239-V243 HydrophobicContact CD1-CG2 4.26Å; Y239-V243 HydrophobicContact CE1-CG2 3.66Å; Y239-V243 HydrophobicContact CE2-CG1 3.86Å; Y239-V243 HydrophobicContact CE2-CG2 4.38Å; Y239-V243 PolarHBondContact O-N 3.47Å
244G91.9Very high94.1Very high21 Ų2141.4 Ų41.422%0.21625%0.253CS..  trans-68.2137.4175.700000112.5C240 L242 N246 R250C240-G244 PolarHBondContact O-N 3.15Å; L242-G244 PolarHBondContact O-N 2.87Å; G244-N246 PolarHBondContact O-N 3.18Å; G244-R250 VanDerWaalsContact O-CZ 3.32Å; G244-R250 PolarHBondContact O-NE 3.22Å; G244-R250 PolarHBondContact O-NH2 3.08Å
245A88.1Confident94.2Very high84 Ų8446.8 Ų46.869%0.69427%0.266SS*.SBendtrans-69.1-18.5178.400000113.9
246N89.3Confident94.2Very high95 Ų9546.8 Ų46.851%0.50827%0.266SS..  trans-90.1103.4174.1178.63.7000110G244 R248 A249G244-N246 PolarHBondContact O-N 3.18Å; N246-R248 PolarHBondContact O-N 2.88Å; N246-R248 PolarHBondContact OD1-N 3.19Å; N246-R248 VanDerWaalsContact OD1-N 3.14Å; N246-A249 HydrophobicContact CB-CB 4.03Å; N246-A249 PolarHBondContact O-N 3.26Å
247S90.2Very high94.2Very high15 Ų1546.5 Ų46.511%0.10526%0.263CS..G310 helixtrans-58.3-29.3-179.1560000114.2A201A201-S247 WeakPolarHBondContact CB-O 3.49Å
248R88.4Confident94.2Very high153 Ų15349.8 Ų49.858%0.57727%0.272SS*.G310 helixtrans-79.1-14.7176.8-63.1-175.4-175.41691.8114.4S196 N246S196-R248 VanDerWaalsContact O-CZ 3.32Å; S196-R248 PolarHBondContact O-NE 3.43Å; S196-R248 PolarHBondContact O-NH2 3.02Å; S196-R248 PolarHBondContact OG-NH2 3.35Å; N246-R248 PolarHBondContact O-N 2.88Å; N246-R248 PolarHBondContact OD1-N 3.19Å; N246-R248 VanDerWaalsContact OD1-N 3.14Å
249A89.7Confident94.2Very high64 Ų6450.2 Ų50.253%0.52928%0.276SS..G310 helixtrans-86.7-13.5176.100000112.7N246N246-A249 HydrophobicContact CB-CB 4.03Å; N246-A249 PolarHBondContact O-N 3.26Å
250R93.4Very high94.2Very high4 Ų450.2 Ų50.22%0.01528%0.276CS..SBendtrans-73.6127-176.6-51.6-172.6-173.5129.615.2110.5E191 W200 A201 V204 L242 G244E191-R250 IonicContact OE1-CZ 3.68Å; E191-R250 IonicContact OE1-NH1 3.85Å; E191-R250 PolarHBondContact OE1-NH1 3.21Å; E191-R250 IonicContact OE1-NH2 2.97Å; E191-R250 IonicContact OE2-CZ 2.73Å; E191-R250 IonicContact OE2-NH1 2.66Å; E191-R250 PolarHBondContact OE2-NH1 3.1Å; E191-R250 IonicContact OE2-NH2 3.6Å; E191-R250 PolarHBondContact OE2-NH2 3.2Å; W200-R250 PolarHBondContact NE1-O 3.33Å; W200-R250 VanDerWaalsContact NE1-O 3.11Å; A201-R250 WeakPolarHBondContact O-CD 3.34Å; A201-R250 PolarHBondContact O-NH1 3.32Å; V204-R250 HydrophobicContact CG2-CB 3.52Å; V204-R250 HydrophobicContact CG2-CG 4.32Å; L242-R250 VanDerWaalsContact O-CD 3.24Å; L242-R250 WeakPolarHBondContact O-CD 3.37Å; L242-R250 PolarHBondContact O-NE 2.88Å; G244-R250 VanDerWaalsContact O-CZ 3.32Å; G244-R250 PolarHBondContact O-NE 3.22Å; G244-R250 PolarHBondContact O-NH2 3.08Å
251P95.4Very high94.2Very high14 Ų1451.6 Ų51.69%0.09127%0.272CS..PPolyproline II helixtrans-64.8150.2-177.426.6-35.1000111.7E241 L242 R255 F256E241-P251 HydrophobicContact CB-CG 4.29Å; L242-P251 HydrophobicContact CD2-CG 4.38Å; P251-R255 HydrophobicContact CB-CB 4.41Å; P251-F256 HydrophobicContact CB-CB 4.4Å; P251-F256 HydrophobicContact CG-CB 4.1Å; P251-F256 HydrophobicContact CG-CD2 4.29Å
252N96.4Very high94.2Very high27 Ų2749.9 Ų49.914%0.14427%0.272CS..PPolyproline II helixtrans-60.7144.8164.8-179.4-76.4000109.7N132 W200 A254 R255 F256N132-N252 PolarHBondContact ND2-OD1 3.41Å; N132-N252 PolarHBondContact OD1-ND2 2.96Å; W200-N252 HydrophobicContact CD2-CB 4.09Å; W200-N252 HydrophobicContact CE3-CB 4.47Å; W200-N252 VanDerWaalsContact CE3-ND2 3.25Å; W200-N252 HydrophobicContact CH2-CB 4.47Å; W200-N252 HydrophobicContact CZ2-CB 4.05Å; N252-A254 VanDerWaalsContact C-N 3.25Å; N252-A254 PolarHBondContact O-N 3.05Å; N252-A254 VanDerWaalsContact O-N 3.12Å; N252-A254 PolarHBondContact OD1-N 3.35Å; N252-R255 WeakPolarHBondContact O-CA 3.26Å; N252-R255 PolarHBondContact O-N 3.45Å; N252-F256 PolarHBondContact O-N 3.32Å
253P96.8Very high94.1Very high0 Ų056.1 Ų56.10%031%0.312CS..Hα-helixtrans-48.8-40.9-179.6-2933.3000114.8V124 L127 V204 R255 F256 L257V124-P253 HydrophobicContact CG1-CB 4.37Å; V124-P253 VanDerWaalsContact CG1-O 3.28Å; V124-P253 WeakPolarHBondContact CG1-O 3.33Å; L127-P253 HydrophobicContact CD2-CG 4.21Å; L127-P253 HydrophobicContact CG-CG 4.15Å; V204-P253 HydrophobicContact CG1-CG 3.73Å; P253-R255 VanDerWaalsContact C-N 3.35Å; P253-R255 PolarHBondContact O-N 3.45Å; P253-F256 PolarHBondContact O-N 3.08Å; P253-L257 PolarHBondContact O-N 3.25Å
254A96.9Very high93.8Very high41 Ų4158 Ų5834%0.33934%0.337SS..Hα-helixtrans-64.2-38.5177.900000112.5N252 L257 Q258N252-A254 VanDerWaalsContact C-N 3.25Å; N252-A254 PolarHBondContact O-N 3.05Å; N252-A254 VanDerWaalsContact O-N 3.12Å; N252-A254 PolarHBondContact OD1-N 3.35Å; A254-L257 PolarHBondContact O-N 3.34Å; A254-Q258 WeakPolarHBondContact O-CB 3.32Å; A254-Q258 PolarHBondContact O-N 3.4Å
255R96.8Very high93.9Very high159 Ų15957.7 Ų57.760%0.633%0.333SS*.Hα-helixtrans-73.2-36.7177.6-172.2175.7-179.1-178.8-0.6111.8P251 N252 P253 L257 Q258 N259P251-R255 HydrophobicContact CB-CB 4.41Å; N252-R255 WeakPolarHBondContact O-CA 3.26Å; N252-R255 PolarHBondContact O-N 3.45Å; P253-R255 VanDerWaalsContact C-N 3.35Å; P253-R255 PolarHBondContact O-N 3.45Å; R255-L257 VanDerWaalsContact C-N 3.35Å; R255-Q258 PolarHBondContact O-N 3.25Å; R255-N259 WeakPolarHBondContact O-CB 3.32Å; R255-N259 PolarHBondContact O-N 3.38Å; R255-N259 PolarHBondContact O-OD1 3.3Å
256F97.1Very high94.3Very high3 Ų354.3 Ų54.31%0.01330%0.303CS..Hα-helixtrans-60-46.4170.8177.6-91.1000110.7V124 L207 I211 L235 H238 L242 P251 N252 P253 Q258 N259 C260V124-F256 HydrophobicContact CG1-CD1 4.05Å; V124-F256 HydrophobicContact CG2-CD1 3.95Å; V124-F256 HydrophobicContact CG2-CE1 3.93Å; L207-F256 HydrophobicContact CD2-CD1 4.27Å; L207-F256 HydrophobicContact CD2-CE1 4.33Å; I211-F256 HydrophobicContact CD1-CE1 4.35Å; I211-F256 HydrophobicContact CD1-CZ 3.84Å; L235-F256 HydrophobicContact CD1-CZ 4.16Å; H238-F256 HydrophobicContact CB-CD2 4.04Å; H238-F256 HydrophobicContact CB-CE2 3.53Å; H238-F256 HydrophobicContact CB-CZ 4.35Å; L242-F256 HydrophobicContact CD1-CD2 4.05Å; L242-F256 HydrophobicContact CD1-CE1 4.48Å; L242-F256 HydrophobicContact CD1-CE2 3.42Å; L242-F256 VanDerWaalsContact CD1-CE2 3.42Å; L242-F256 HydrophobicContact CD1-CZ 3.69Å; L242-F256 HydrophobicContact CD2-CD2 3.67Å; L242-F256 HydrophobicContact CD2-CE2 3.94Å; L242-F256 HydrophobicContact CD2-CG 4.25Å; L242-F256 HydrophobicContact CG-CD2 3.88Å; L242-F256 HydrophobicContact CG-CE2 3.62Å; L242-F256 HydrophobicContact CG-CZ 4.39Å; P251-F256 HydrophobicContact CB-CB 4.4Å; P251-F256 HydrophobicContact CG-CB 4.1Å; P251-F256 HydrophobicContact CG-CD2 4.29Å; N252-F256 PolarHBondContact O-N 3.32Å; P253-F256 PolarHBondContact O-N 3.08Å; F256-Q258 PolarHBondContact O-N 3.07Å; F256-N259 PolarHBondContact O-N 3.41Å; F256-C260 VanDerWaalsContact CZ-SG 3.58Å; F256-C260 WeakPolarHBondContact O-CB 3.23Å; F256-C260 PolarHBondContact O-N 3.06Å; F256-C260 PolarHBondContact O-SG 3.49Å; F256-C260 VanDerWaalsContact O-SG 3.35Å
257L96.3Very high94.7Very high24 Ų2449.9 Ų49.913%0.12628%0.279CS..Hα-helixtrans-59.5-44.5177.4-162.556.6000112.4H121 V124 K125 P253 A254 R255 R261 L267H121-L257 HydrophobicContact CB-CD1 4.31Å; H121-L257 WeakPolarHBondContact CD2-CD1 3.47Å; V124-L257 HydrophobicContact CB-CD1 3.99Å; V124-L257 HydrophobicContact CG1-CB 3.75Å; V124-L257 HydrophobicContact CG1-CD1 3.89Å; V124-L257 HydrophobicContact CG1-CD2 4.35Å; V124-L257 HydrophobicContact CG1-CG 4.21Å; K125-L257 HydrophobicContact CB-CD2 4.25Å; P253-L257 PolarHBondContact O-N 3.25Å; A254-L257 PolarHBondContact O-N 3.34Å; R255-L257 VanDerWaalsContact C-N 3.35Å; L257-R261 WeakPolarHBondContact O-CB 3.47Å; L257-R261 PolarHBondContact O-N 3.21Å; L257-R261 VanDerWaalsContact O-N 3.12Å; L257-L267 HydrophobicContact CD1-CD1 3.78Å
258Q96.4Very high94.9Very high141 Ų14151.6 Ų51.666%0.65929%0.291SS*.Hα-helixtrans-62.5-46.9176.1-173.8-178.317.900112A254 R255 F256 R261 A262A254-Q258 WeakPolarHBondContact O-CB 3.32Å; A254-Q258 PolarHBondContact O-N 3.4Å; R255-Q258 PolarHBondContact O-N 3.25Å; F256-Q258 PolarHBondContact O-N 3.07Å; Q258-R261 PolarHBondContact O-N 2.82Å; Q258-A262 PolarHBondContact O-N 3.02Å
259N95.9Very high95.2Very high43 Ų4345.9 Ų45.923%0.2327%0.272CS..Hα-helixtrans-59.5-49.6177.6-74.61000111R255 F256 R261 A262R255-N259 WeakPolarHBondContact O-CB 3.32Å; R255-N259 PolarHBondContact O-N 3.38Å; R255-N259 PolarHBondContact O-OD1 3.3Å; F256-N259 PolarHBondContact O-N 3.41Å; N259-R261 VanDerWaalsContact C-N 3.27Å; N259-R261 PolarHBondContact O-N 2.87Å; N259-A262 VanDerWaalsContact O-CB 3.23Å; N259-A262 WeakPolarHBondContact O-CB 3.44Å; N259-A262 PolarHBondContact O-N 3.18Å; N259-A262 VanDerWaalsContact O-N 3.08Å
260C96.4Very high95.4Very high0 Ų044.9 Ų44.90%026%0.261CS..Hα-helixtrans-71.4-17.6-176.7-64.40000114.4H238 F256 G265 F266 L267H238-C260 VanDerWaalsContact CB-SG 3.57Å; H238-C260 PolarHBondContact CD2-SG 3.35Å; H238-C260 VanDerWaalsContact CG-SG 3.6Å; F256-C260 VanDerWaalsContact CZ-SG 3.58Å; F256-C260 WeakPolarHBondContact O-CB 3.23Å; F256-C260 PolarHBondContact O-N 3.06Å; F256-C260 PolarHBondContact O-SG 3.49Å; F256-C260 VanDerWaalsContact O-SG 3.35Å; C260-G265 CarbonylContact O-C 3.28Å; C260-G265 VanDerWaalsContact O-C 3.28Å; C260-G265 WeakPolarHBondContact O-CA 3.43Å; C260-F266 PolarHBondContact O-N 3.47Å; C260-L267 HydrophobicContact CB-CB 4.35Å; C260-L267 HydrophobicContact CB-CD1 3.63Å; C260-L267 HydrophobicContact CB-CG 3.77Å; C260-L267 WeakPolarHBondContact O-CA 3.43Å; C260-L267 WeakPolarHBondContact O-CB 3.49Å; C260-L267 PolarHBondContact O-N 3.02Å
261R96.4Very high95.4Very high91 Ų9145 Ų4534%0.34326%0.262SS..THydrogen-bonded Turntrans-91.70.1169.8-79.9-169.564.3-142.5-3.3114.2L257 Q258 N259 L267 E273 L276L257-R261 WeakPolarHBondContact O-CB 3.47Å; L257-R261 PolarHBondContact O-N 3.21Å; L257-R261 VanDerWaalsContact O-N 3.12Å; Q258-R261 PolarHBondContact O-N 2.82Å; N259-R261 VanDerWaalsContact C-N 3.27Å; N259-R261 PolarHBondContact O-N 2.87Å; R261-L267 HydrophobicContact CG-CB 3.65Å; R261-E273 IonicContact CZ-OE1 2.65Å; R261-E273 VanDerWaalsContact CZ-OE1 3.27Å; R261-E273 IonicContact CZ-OE2 3.86Å; R261-E273 IonicContact NE-OE1 2.68Å; R261-E273 PolarHBondContact NE-OE1 3.46Å; R261-E273 IonicContact NH2-OE1 3.74Å; R261-E273 PolarHBondContact NH2-OE1 3.43Å; R261-E273 IonicContact NH2-OE2 3.65Å; R261-E273 PolarHBondContact NH2-OE2 3.24Å; R261-L276 VanDerWaalsContact NH2-CD1 3.34Å
262A95.3Very high95.5Very high43 Ų4344.3 Ų44.336%0.35526%0.257SS..SBendtrans-64.3155.8171.400000111Q258 N259 G264 G265 S268Q258-A262 PolarHBondContact O-N 3.02Å; N259-A262 VanDerWaalsContact O-CB 3.23Å; N259-A262 WeakPolarHBondContact O-CB 3.44Å; N259-A262 PolarHBondContact O-N 3.18Å; N259-A262 VanDerWaalsContact O-N 3.08Å; A262-G264 PolarHBondContact O-N 2.95Å; A262-G265 WeakPolarHBondContact O-CA 3.24Å; A262-G265 PolarHBondContact O-N 3.01Å; A262-S268 VanDerWaalsContact O-CB 3.3Å; A262-S268 WeakPolarHBondContact O-CB 3.33Å
263P93.6Very high95.4Very high131 Ų13146.9 Ų46.985%0.85127%0.268SS*.THydrogen-bonded Turntrans-53.1125.1-179.8-28.135.9000112.8G265P263-G265 VanDerWaalsContact C-N 3.32Å
264G89.6Confident95.3Very high66 Ų6647.4 Ų47.468%0.6827%0.272SS*.THydrogen-bonded Turntrans84.6-5.5-175.100000115.3S234 A262S234-G264 WeakPolarHBondContact CB-O 3.42Å; A262-G264 PolarHBondContact O-N 2.95Å
265G94.4Very high95.2Very high13 Ų1345.5 Ų45.513%0.13426%0.256CS..SBendtrans-72.8155.1170.100000112.5C260 A262 P263 L267 S268C260-G265 CarbonylContact O-C 3.28Å; C260-G265 VanDerWaalsContact O-C 3.28Å; C260-G265 WeakPolarHBondContact O-CA 3.43Å; A262-G265 WeakPolarHBondContact O-CA 3.24Å; A262-G265 PolarHBondContact O-N 3.01Å; P263-G265 VanDerWaalsContact C-N 3.32Å; G265-L267 PolarHBondContact O-N 3.44Å; G265-L267 VanDerWaalsContact O-N 3.11Å; G265-S268 WeakPolarHBondContact O-CB 3.27Å; G265-S268 PolarHBondContact O-N 3.34Å
266F96.1Very high95.1Very high13 Ų1339.1 Ų39.16%0.05723%0.234CC..THydrogen-bonded Turntrans-60-24.6-174.1-177.6-110.6000114.8E113 I116 L120 F215 P232 L235 C260 N269E113-F266 HydrophobicContact CB-CE2 4.22Å; E113-F266 HydrophobicContact CB-CZ 4.37Å; I116-F266 HydrophobicContact CG2-CE1 4.25Å; I116-F266 HydrophobicContact CG2-CZ 4.31Å; L120-F266 HydrophobicContact CD1-CE1 4.26Å; F215-F266 HydrophobicContact CE1-CZ 4.45Å; F215-F266 HydrophobicContact CZ-CE1 4.03Å; F215-F266 AromaticContact CZ-CZ 3.81Å; F215-F266 HydrophobicContact CZ-CZ 3.81Å; P232-F266 HydrophobicContact CB-CD2 3.86Å; P232-F266 HydrophobicContact CB-CE2 3.92Å; P232-F266 HydrophobicContact CG-CD2 4.09Å; P232-F266 HydrophobicContact CG-CE2 3.66Å; P232-F266 HydrophobicContact CG-CZ 4.21Å; L235-F266 HydrophobicContact CB-CB 3.87Å; L235-F266 HydrophobicContact CB-CD1 4.39Å; L235-F266 HydrophobicContact CB-CG 4.07Å; L235-F266 HydrophobicContact CD1-CB 4.28Å; L235-F266 HydrophobicContact CD1-CD1 4.39Å; L235-F266 HydrophobicContact CD2-CD1 3.94Å; L235-F266 HydrophobicContact CD2-CE1 4.35Å; L235-F266 HydrophobicContact CD2-CG 4.44Å; L235-F266 HydrophobicContact CG-CD1 4.48Å; C260-F266 PolarHBondContact O-N 3.47Å; F266-N269 PolarHBondContact O-ND2 2.94Å
267L96.8Very high94.9Very high3 Ų340.7 Ų40.72%0.01624%0.241CC..THydrogen-bonded Turntrans-962.5179.1-51-178000113S117 H121 L257 C260 R261 G265 N269 V272S117-L267 WeakPolarHBondContact O-CD2 3.43Å; H121-L267 HydrophobicContact CB-CD1 4.22Å; H121-L267 HydrophobicContact CB-CD2 4.48Å; L257-L267 HydrophobicContact CD1-CD1 3.78Å; C260-L267 HydrophobicContact CB-CB 4.35Å; C260-L267 HydrophobicContact CB-CD1 3.63Å; C260-L267 HydrophobicContact CB-CG 3.77Å; C260-L267 WeakPolarHBondContact O-CA 3.43Å; C260-L267 WeakPolarHBondContact O-CB 3.49Å; C260-L267 PolarHBondContact O-N 3.02Å; R261-L267 HydrophobicContact CG-CB 3.65Å; G265-L267 PolarHBondContact O-N 3.44Å; G265-L267 VanDerWaalsContact O-N 3.11Å; L267-N269 PolarHBondContact O-N 3.06Å; L267-V272 WeakPolarHBondContact O-CB 3.25Å; L267-V272 WeakPolarHBondContact O-CG1 3.16Å
268S95.5Very high94.8Very high50 Ų5040 Ų4035%0.3524%0.237SC..  trans-91.174177.1168.70000110.5A262 G265A262-S268 VanDerWaalsContact O-CB 3.3Å; A262-S268 WeakPolarHBondContact O-CB 3.33Å; G265-S268 WeakPolarHBondContact O-CB 3.27Å; G265-S268 PolarHBondContact O-N 3.34Å
269N94.3Very high94.5Very high34 Ų3436.3 Ų36.318%0.18222%0.22CC..SBendtrans-140.6160.8178.968.464.9000113L114 S117 F266 L267 F271 V272 E273L114-N269 HydrophobicContact CD2-CB 4.26Å; S117-N269 WeakPolarHBondContact CB-ND2 3.16Å; S117-N269 PolarHBondContact OG-ND2 3.18Å; F266-N269 PolarHBondContact O-ND2 2.94Å; L267-N269 PolarHBondContact O-N 3.06Å; N269-F271 PolarHBondContact O-N 3.1Å; N269-F271 WeakPolarHBondContact OD1-CB 3.38Å; N269-F271 PolarHBondContact OD1-N 3.37Å; N269-F271 VanDerWaalsContact OD1-N 3.14Å; N269-V272 PolarHBondContact O-N 3.23Å; N269-V272 PolarHBondContact OD1-N 3.18Å; N269-E273 PolarHBondContact O-N 3.09Å; N269-E273 VanDerWaalsContact O-N 3.08Å
270S93.3Very high94.4Very high43 Ų4338.7 Ų38.730%0.30123%0.23SC..Hα-helixtrans-61.6-27.6-174.755.10000114S274S270-S274 WeakPolarHBondContact O-CB 3.21Å; S270-S274 PolarHBondContact O-N 3.49Å; S270-S274 PolarHBondContact O-OG 2.96Å
271F94.8Very high94.1Very high5 Ų539 Ų392%0.02223%0.232CC..Hα-helixtrans-72.8-42.4176.4-178.2-115.9000112.1L114 W118 N269 N275 F303 P304 F307L114-F271 HydrophobicContact CB-CB 4.13Å; L114-F271 HydrophobicContact CB-CD1 3.8Å; L114-F271 HydrophobicContact CB-CE1 4.46Å; L114-F271 HydrophobicContact CB-CG 4.09Å; L114-F271 HydrophobicContact CD1-CB 4.24Å; L114-F271 HydrophobicContact CD2-CB 4.04Å; L114-F271 HydrophobicContact CG-CB 4.36Å; L114-F271 WeakPolarHBondContact O-CD1 3.47Å; W118-F271 HydrophobicContact CB-CD1 3.85Å; W118-F271 HydrophobicContact CB-CE1 3.51Å; W118-F271 HydrophobicContact CG-CE1 4.04Å; N269-F271 PolarHBondContact O-N 3.1Å; N269-F271 WeakPolarHBondContact OD1-CB 3.38Å; N269-F271 PolarHBondContact OD1-N 3.37Å; N269-F271 VanDerWaalsContact OD1-N 3.14Å; F271-N275 VanDerWaalsContact CE2-ND2 3.33Å; F271-N275 WeakPolarHBondContact CE2-ND2 3.42Å; F271-N275 WeakPolarHBondContact CZ-ND2 3.47Å; F271-N275 WeakPolarHBondContact O-CB 3.49Å; F271-N275 PolarHBondContact O-N 3.14Å; F271-N275 PolarHBondContact O-ND2 2.8Å; F271-F303 HydrophobicContact CB-CD1 4.19Å; F271-F303 HydrophobicContact CB-CE1 3.77Å; F271-F303 HydrophobicContact CB-CZ 4.41Å; F271-F303 HydrophobicContact CD2-CB 4.45Å; F271-F303 AromaticContact CD2-CD1 3.65Å; F271-F303 HydrophobicContact CD2-CD1 3.65Å; F271-F303 HydrophobicContact CD2-CD2 4.29Å; F271-F303 AromaticContact CD2-CE1 3.83Å; F271-F303 HydrophobicContact CD2-CE1 3.83Å; F271-F303 HydrophobicContact CD2-CE2 4.44Å; F271-F303 AromaticContact CD2-CG 3.89Å; F271-F303 HydrophobicContact CD2-CG 3.89Å; F271-F303 HydrophobicContact CD2-CZ 4.22Å; F271-F303 HydrophobicContact CE2-CG 4.38Å; F271-F303 HydrophobicContact CG-CD1 4.34Å; F271-F303 HydrophobicContact CG-CE1 4.3Å; F271-P304 HydrophobicContact CE1-CG 4.41Å; F271-P304 VanDerWaalsContact CE2-CD 3.45Å; F271-P304 HydrophobicContact CE2-CG 4.13Å; F271-P304 HydrophobicContact CZ-CG 3.84Å; F271-F307 HydrophobicContact CD2-CD1 4.47Å; F271-F307 HydrophobicContact CD2-CE1 4.26Å; F271-F307 HydrophobicContact CE2-CB 4.32Å; F271-F307 AromaticContact CE2-CD1 3.57Å; F271-F307 HydrophobicContact CE2-CD1 3.57Å; F271-F307 AromaticContact CE2-CD2 3.94Å; F271-F307 HydrophobicContact CE2-CD2 3.94Å; F271-F307 AromaticContact CE2-CE1 3.69Å; F271-F307 HydrophobicContact CE2-CE1 3.69Å; F271-F307 HydrophobicContact CE2-CE2 4.09Å; F271-F307 AromaticContact CE2-CG 3.67Å; F271-F307 HydrophobicContact CE2-CG 3.67Å; F271-F307 AromaticContact CE2-CZ 3.96Å; F271-F307 HydrophobicContact CE2-CZ 3.96Å; F271-F307 HydrophobicContact CZ-CB 4.37Å; F271-F307 HydrophobicContact CZ-CD1 4.39Å; F271-F307 HydrophobicContact CZ-CD2 4.13Å; F271-F307 HydrophobicContact CZ-CG 4.05Å
272V95.8Very high93.7Very high0 Ų041.1 Ų41.10%025%0.245CC..Hα-helixtrans-64.3-47.4174.4173.10000110.8W118 L267 N269 S274 N275 L276W118-V272 HydrophobicContact CE3-CB 4.38Å; W118-V272 HydrophobicContact CE3-CG1 4.13Å; W118-V272 HydrophobicContact CE3-CG2 4.3Å; W118-V272 HydrophobicContact CZ3-CG1 4.29Å; L267-V272 WeakPolarHBondContact O-CB 3.25Å; L267-V272 WeakPolarHBondContact O-CG1 3.16Å; N269-V272 PolarHBondContact O-N 3.23Å; N269-V272 PolarHBondContact OD1-N 3.18Å; V272-S274 PolarHBondContact O-N 3.13Å; V272-N275 WeakPolarHBondContact O-CB 3.3Å; V272-N275 PolarHBondContact O-N 3.07Å; V272-L276 HydrophobicContact CG1-CD1 4.05Å; V272-L276 WeakPolarHBondContact O-CG 3.42Å; V272-L276 PolarHBondContact O-N 2.75Å
273E94.2Very high93.5Very high81 Ų8146 Ų4638%0.37926%0.264SS..Hα-helixtrans-67-37.5179.7-61-53.9131.800112.3R261 N269 N275 L276 F277R261-E273 IonicContact CZ-OE1 2.65Å; R261-E273 VanDerWaalsContact CZ-OE1 3.27Å; R261-E273 IonicContact CZ-OE2 3.86Å; R261-E273 IonicContact NE-OE1 2.68Å; R261-E273 PolarHBondContact NE-OE1 3.46Å; R261-E273 IonicContact NH2-OE1 3.74Å; R261-E273 PolarHBondContact NH2-OE1 3.43Å; R261-E273 IonicContact NH2-OE2 3.65Å; R261-E273 PolarHBondContact NH2-OE2 3.24Å; N269-E273 PolarHBondContact O-N 3.09Å; N269-E273 VanDerWaalsContact O-N 3.08Å; E273-N275 VanDerWaalsContact C-N 3.35Å; E273-N275 PolarHBondContact O-N 3.36Å; E273-L276 PolarHBondContact O-N 3.14Å; E273-F277 PolarHBondContact O-N 2.98Å
274S94.8Very high93.4Very high12 Ų1241.8 Ų41.88%0.08423%0.232CC..Hα-helixtrans-63.5-40.4172.2-63.10000112S270 V272 F277 L278S270-S274 WeakPolarHBondContact O-CB 3.21Å; S270-S274 PolarHBondContact O-N 3.49Å; S270-S274 PolarHBondContact O-OG 2.96Å; V272-S274 PolarHBondContact O-N 3.13Å; S274-F277 PolarHBondContact O-N 3.23Å; S274-L278 WeakPolarHBondContact O-CG 3.46Å; S274-L278 PolarHBondContact O-N 3.3Å
275N94.8Very high93.5Very high0 Ų042.5 Ų42.50%022%0.22CC..Hα-helixtrans-64.4-40.7176.3-93.9-82.9000112.5W118 F271 V272 E273 L278 E279 F307 K311W118-N275 HydrophobicContact CD2-CB 3.59Å; W118-N275 VanDerWaalsContact CE2-CG 3.48Å; W118-N275 HydrophobicContact CE3-CB 3.58Å; W118-N275 HydrophobicContact CG-CB 4.41Å; W118-N275 HydrophobicContact CH2-CB 3.63Å; W118-N275 HydrophobicContact CZ2-CB 3.61Å; W118-N275 HydrophobicContact CZ3-CB 3.58Å; W118-N275 PolarHBondContact NE1-OD1 2.93Å; F271-N275 VanDerWaalsContact CE2-ND2 3.33Å; F271-N275 WeakPolarHBondContact CE2-ND2 3.42Å; F271-N275 WeakPolarHBondContact CZ-ND2 3.47Å; F271-N275 WeakPolarHBondContact O-CB 3.49Å; F271-N275 PolarHBondContact O-N 3.14Å; F271-N275 PolarHBondContact O-ND2 2.8Å; V272-N275 WeakPolarHBondContact O-CB 3.3Å; V272-N275 PolarHBondContact O-N 3.07Å; E273-N275 VanDerWaalsContact C-N 3.35Å; E273-N275 PolarHBondContact O-N 3.36Å; N275-L278 PolarHBondContact O-N 3.11Å; N275-E279 PolarHBondContact O-N 3.07Å; N275-F307 WeakPolarHBondContact ND2-CE2 3.16Å; N275-F307 WeakPolarHBondContact OD1-CE2 3.42Å; N275-K311 WeakPolarHBondContact OD1-CE 3.38Å; N275-K311 PolarHBondContact OD1-NZ 3.12Å
276L94.6Very high93.2Very high26 Ų2646.2 Ų46.214%0.13624%0.242CC..Hα-helixtrans-64.3-42.3175.1-74168.2000112W118 R261 V272 E273 L278 E279 E280W118-L276 HydrophobicContact CH2-CD2 4.38Å; W118-L276 HydrophobicContact CH2-CG 4.48Å; W118-L276 HydrophobicContact CZ3-CD2 4.3Å; W118-L276 HydrophobicContact CZ3-CG 4.09Å; R261-L276 VanDerWaalsContact NH2-CD1 3.34Å; V272-L276 HydrophobicContact CG1-CD1 4.05Å; V272-L276 WeakPolarHBondContact O-CG 3.42Å; V272-L276 PolarHBondContact O-N 2.75Å; E273-L276 PolarHBondContact O-N 3.14Å; L276-L278 VanDerWaalsContact C-N 3.3Å; L276-L278 PolarHBondContact O-N 2.87Å; L276-E279 PolarHBondContact O-N 2.78Å; L276-E280 PolarHBondContact O-N 3.08Å; L276-E280 VanDerWaalsContact O-N 3.17Å
277F94.9Very high92.9Very high36 Ų3648.4 Ų48.416%0.15826%0.263CS..Hα-helixtrans-60.9-40.5173.1-169.1-82.2000111.7E273 S274 E280 I281 K284 E288 F292E273-F277 PolarHBondContact O-N 2.98Å; S274-F277 PolarHBondContact O-N 3.23Å; F277-E280 CarbonylContact O-C 3.58Å; F277-E280 PolarHBondContact O-N 3.35Å; F277-I281 HydrophobicContact CE1-CD1 4.43Å; F277-I281 HydrophobicContact CE1-CG1 4.11Å; F277-I281 WeakPolarHBondContact O-CA 3.38Å; F277-I281 WeakPolarHBondContact O-CB 3.27Å; F277-I281 PolarHBondContact O-N 3.18Å; F277-K284 HydrophobicContact CD2-CD 4.26Å; F277-K284 HydrophobicContact CD2-CG 4.38Å; F277-K284 HydrophobicContact CE1-CG 4.17Å; F277-K284 HydrophobicContact CE2-CB 4.45Å; F277-K284 HydrophobicContact CE2-CD 3.77Å; F277-K284 HydrophobicContact CE2-CG 3.8Å; F277-K284 HydrophobicContact CZ-CB 3.99Å; F277-K284 HydrophobicContact CZ-CD 4.16Å; F277-K284 HydrophobicContact CZ-CG 3.67Å; F277-E288 HydrophobicContact CE2-CB 4.14Å; F277-E288 HydrophobicContact CZ-CB 4.04Å; F277-E288 WeakPolarHBondContact CZ-O 3.4Å; F277-F292 HydrophobicContact CB-CD2 4.06Å; F277-F292 HydrophobicContact CB-CE2 4.09Å; F277-F292 HydrophobicContact CD1-CB 3.8Å; F277-F292 AromaticContact CD1-CD1 3.61Å; F277-F292 HydrophobicContact CD1-CD1 3.61Å; F277-F292 AromaticContact CD1-CD2 3.46Å; F277-F292 HydrophobicContact CD1-CD2 3.46Å; F277-F292 VanDerWaalsContact CD1-CD2 3.46Å; F277-F292 HydrophobicContact CD1-CE1 4.04Å; F277-F292 AromaticContact CD1-CE2 3.91Å; F277-F292 HydrophobicContact CD1-CE2 3.91Å; F277-F292 AromaticContact CD1-CG 3.29Å; F277-F292 HydrophobicContact CD1-CG 3.29Å; F277-F292 HydrophobicContact CD1-CZ 4.18Å; F277-F292 HydrophobicContact CD2-CB 4.49Å; F277-F292 HydrophobicContact CD2-CD2 4.39Å; F277-F292 HydrophobicContact CE1-CB 3.37Å; F277-F292 AromaticContact CE1-CD1 3.6Å; F277-F292 HydrophobicContact CE1-CD1 3.6Å; F277-F292 AromaticContact CE1-CD2 3.99Å; F277-F292 HydrophobicContact CE1-CD2 3.99Å; F277-F292 HydrophobicContact CE1-CE1 4.41Å; F277-F292 AromaticContact CE1-CG 3.35Å; F277-F292 HydrophobicContact CE1-CG 3.35Å; F277-F292 HydrophobicContact CE2-CB 4.12Å; F277-F292 HydrophobicContact CG-CB 4.35Å; F277-F292 AromaticContact CG-CD2 3.7Å; F277-F292 HydrophobicContact CG-CD2 3.7Å; F277-F292 HydrophobicContact CG-CE2 4.18Å; F277-F292 AromaticContact CG-CG 3.96Å; F277-F292 HydrophobicContact CG-CG 3.96Å; F277-F292 HydrophobicContact CZ-CB 3.55Å; F277-F292 HydrophobicContact CZ-CG 4.04Å
278L93.1Very high92.6Very high9 Ų952.2 Ų52.25%0.04728%0.28CS..Hα-helixtrans-67.6-33.8176.1-71.4-178.2000113.6S274 N275 L276 E280 I281 F292 F307 K311 V312 Q315S274-L278 WeakPolarHBondContact O-CG 3.46Å; S274-L278 PolarHBondContact O-N 3.3Å; N275-L278 PolarHBondContact O-N 3.11Å; L276-L278 VanDerWaalsContact C-N 3.3Å; L276-L278 PolarHBondContact O-N 2.87Å; L278-E280 VanDerWaalsContact C-N 3.32Å; L278-I281 HydrophobicContact CD2-CD1 4.06Å; L278-I281 VanDerWaalsContact O-CG2 3.29Å; L278-I281 WeakPolarHBondContact O-CG2 3.46Å; L278-F292 HydrophobicContact CD1-CZ 4.48Å; L278-F292 HydrophobicContact CD2-CE1 3.55Å; L278-F292 HydrophobicContact CD2-CZ 3.67Å; L278-F292 HydrophobicContact CG-CE1 4.25Å; L278-F292 HydrophobicContact CG-CZ 3.84Å; L278-F307 HydrophobicContact CD1-CE2 4.12Å; L278-F307 HydrophobicContact CD1-CZ 3.76Å; L278-K311 HydrophobicContact CD1-CG 4.25Å; L278-V312 HydrophobicContact CD1-CG2 4.39Å; L278-Q315 HydrophobicContact CD2-CB 4.34Å; L278-Q315 HydrophobicContact CD2-CG 4.22Å
279E91.2Very high92.3Very high63 Ų6352.3 Ų52.329%0.29427%0.274SS..Hα-helixtrans-64.5-37.3172.6-75.2-173.2169.500111.7W118 K125 N275 L276W118-E279 WeakPolarHBondContact CH2-OE1 3.43Å; W118-E279 WeakPolarHBondContact CZ2-OE1 3.49Å; K125-E279 IonicContact NZ-OE1 3.54Å; K125-E279 IonicContact NZ-OE2 3.66Å; K125-E279 PolarHBondContact NZ-OE2 3.03Å; N275-E279 PolarHBondContact O-N 3.07Å; L276-E279 PolarHBondContact O-N 2.78Å
280E92.9Very high92Very high94 Ų9454.1 Ų54.144%0.43928%0.282SS..Hα-helixtrans-92.6-2-179.9-65.3-174.1170.100114.3L276 F277 L278 Q282 I283 K284L276-E280 PolarHBondContact O-N 3.08Å; L276-E280 VanDerWaalsContact O-N 3.17Å; F277-E280 CarbonylContact O-C 3.58Å; F277-E280 PolarHBondContact O-N 3.35Å; L278-E280 VanDerWaalsContact C-N 3.32Å; E280-Q282 PolarHBondContact O-N 3.08Å; E280-I283 HydrophobicContact CB-CD1 4.4Å; E280-I283 HydrophobicContact CB-CG1 4.15Å; E280-I283 WeakPolarHBondContact O-CG1 3.41Å; E280-I283 PolarHBondContact O-N 2.65Å; E280-K284 PolarHBondContact O-N 2.73Å; E280-K284 VanDerWaalsContact OE2-CE 3.22Å; E280-K284 WeakPolarHBondContact OE2-CE 3.39Å; E280-K284 IonicContact OE2-NZ 3.25Å; E280-K284 PolarHBondContact OE2-NZ 3.34Å
281I90Very high91.9Very high7 Ų756.8 Ų56.84%0.03629%0.289CS..G310 helixtrans-53.8-34.7-164.5-166.4170.1000113.5F277 L278 I283 K284 K289 F293F277-I281 HydrophobicContact CE1-CD1 4.43Å; F277-I281 HydrophobicContact CE1-CG1 4.11Å; F277-I281 WeakPolarHBondContact O-CA 3.38Å; F277-I281 WeakPolarHBondContact O-CB 3.27Å; F277-I281 PolarHBondContact O-N 3.18Å; L278-I281 HydrophobicContact CD2-CD1 4.06Å; L278-I281 VanDerWaalsContact O-CG2 3.29Å; L278-I281 WeakPolarHBondContact O-CG2 3.46Å; I281-I283 VanDerWaalsContact C-N 3.28Å; I281-I283 PolarHBondContact O-N 2.85Å; I281-K284 PolarHBondContact O-N 2.83Å; I281-K289 HydrophobicContact CG1-CG 4.21Å; I281-K289 WeakPolarHBondContact O-CE 3.42Å; I281-K289 PolarHBondContact O-NZ 2.92Å; I281-F293 HydrophobicContact CD1-CE2 4.34Å; I281-F293 HydrophobicContact CD1-CZ 3.8Å
282Q87.9Confident91.8Very high135 Ų13557.4 Ų57.463%0.63129%0.292SS*.G310 helixtrans-64.9-29.5-178.9-61.3-57.5-33.200113.3E280E280-Q282 PolarHBondContact O-N 3.08Å
283I91.3Very high91.5Very high145 Ų14557.5 Ų57.574%0.74429%0.293SS*.G310 helixtrans-91.8-12.1177.561.3163.6000114.3E280 I281E280-I283 HydrophobicContact CB-CD1 4.4Å; E280-I283 HydrophobicContact CB-CG1 4.15Å; E280-I283 WeakPolarHBondContact O-CG1 3.41Å; E280-I283 PolarHBondContact O-N 2.65Å; I281-I283 VanDerWaalsContact C-N 3.28Å; I281-I283 PolarHBondContact O-N 2.85Å
284K92Very high91.2Very high43 Ų4359.1 Ų59.119%0.18730%0.3CS..SBendtrans-66.2151.7174.2-59.1-66.4172.5-169.60112F277 E280 I281 E288 K289F277-K284 HydrophobicContact CD2-CD 4.26Å; F277-K284 HydrophobicContact CD2-CG 4.38Å; F277-K284 HydrophobicContact CE1-CG 4.17Å; F277-K284 HydrophobicContact CE2-CB 4.45Å; F277-K284 HydrophobicContact CE2-CD 3.77Å; F277-K284 HydrophobicContact CE2-CG 3.8Å; F277-K284 HydrophobicContact CZ-CB 3.99Å; F277-K284 HydrophobicContact CZ-CD 4.16Å; F277-K284 HydrophobicContact CZ-CG 3.67Å; E280-K284 PolarHBondContact O-N 2.73Å; E280-K284 VanDerWaalsContact OE2-CE 3.22Å; E280-K284 WeakPolarHBondContact OE2-CE 3.39Å; E280-K284 IonicContact OE2-NZ 3.25Å; E280-K284 PolarHBondContact OE2-NZ 3.34Å; I281-K284 PolarHBondContact O-N 2.83Å; K284-E288 VanDerWaalsContact CA-OE2 3.26Å; K284-E288 WeakPolarHBondContact CA-OE2 3.48Å; K284-E288 HydrophobicContact CB-CB 4.15Å; K284-E288 WeakPolarHBondContact CB-OE2 3.48Å; K284-E288 WeakPolarHBondContact CD-OE1 3.49Å; K284-E288 WeakPolarHBondContact CD-OE2 3.3Å; K284-K289 HydrophobicContact CB-CG 4.3Å; K284-K289 PolarHBondContact O-NZ 3.17Å
285D90.7Very high90.9Very high81 Ų8161.7 Ų61.743%0.43331%0.313SS..  trans-77.8169177.1103.4-9.4000112.5A287 E288 K289D285-A287 VanDerWaalsContact C-N 3.3Å; D285-A287 PolarHBondContact O-N 2.77Å; D285-A287 WeakPolarHBondContact OD1-CA 3.26Å; D285-A287 WeakPolarHBondContact OD1-CB 3.5Å; D285-A287 PolarHBondContact OD1-N 3.4Å; D285-E288 PolarHBondContact N-OE2 3.4Å; D285-E288 PolarHBondContact OD1-N 3.36Å; D285-K289 WeakPolarHBondContact O-CB 3.36Å; D285-K289 WeakPolarHBondContact O-CD 3.35Å; D285-K289 VanDerWaalsContact O-CG 3.27Å; D285-K289 WeakPolarHBondContact O-CG 3.37Å; D285-K289 PolarHBondContact O-N 3.42Å; D285-K289 VanDerWaalsContact O-N 3.1Å
286P88.1Confident90.7Very high91 Ų9161.8 Ų61.859%0.59131%0.314SS*.Hα-helixtrans-65.4-26.5-178.8-22.835.2000114.9Q290P286-Q290 WeakPolarHBondContact O-CG 3.46Å; P286-Q290 PolarHBondContact O-N 3.2Å; P286-Q290 VanDerWaalsContact O-N 3.09Å
287A89.2Confident90.3Very high59 Ų5962.1 Ų62.149%0.48832%0.316SS..Hα-helixtrans-80.7-44.5179.700000110.8D285 K289 Q290 Q291D285-A287 VanDerWaalsContact C-N 3.3Å; D285-A287 PolarHBondContact O-N 2.77Å; D285-A287 WeakPolarHBondContact OD1-CA 3.26Å; D285-A287 WeakPolarHBondContact OD1-CB 3.5Å; D285-A287 PolarHBondContact OD1-N 3.4Å; A287-K289 PolarHBondContact O-N 3.38Å; A287-Q290 PolarHBondContact O-N 3.37Å; A287-Q291 WeakPolarHBondContact O-CB 3.37Å; A287-Q291 PolarHBondContact O-N 2.79Å
288E91.4Very high89.9Confident83 Ų8366 Ų6639%0.38834%0.338SS..Hα-helixtrans-52.3-44.7168.5-70.4-177.4111.100110.7F277 K284 D285 F292F277-E288 HydrophobicContact CE2-CB 4.14Å; F277-E288 HydrophobicContact CZ-CB 4.04Å; F277-E288 WeakPolarHBondContact CZ-O 3.4Å; K284-E288 VanDerWaalsContact CA-OE2 3.26Å; K284-E288 WeakPolarHBondContact CA-OE2 3.48Å; K284-E288 HydrophobicContact CB-CB 4.15Å; K284-E288 WeakPolarHBondContact CB-OE2 3.48Å; K284-E288 WeakPolarHBondContact CD-OE1 3.49Å; K284-E288 WeakPolarHBondContact CD-OE2 3.3Å; D285-E288 PolarHBondContact N-OE2 3.4Å; D285-E288 PolarHBondContact OD1-N 3.36Å; E288-F292 WeakPolarHBondContact O-CB 3.35Å; E288-F292 PolarHBondContact O-N 3.2Å
289K89.9Confident89.6Confident51 Ų5168.9 Ų68.922%0.22235%0.351CS..Hα-helixtrans-62.4-46.8176.8-78.9165.7166.5133.50113I281 K284 D285 A287 F293I281-K289 HydrophobicContact CG1-CG 4.21Å; I281-K289 WeakPolarHBondContact O-CE 3.42Å; I281-K289 PolarHBondContact O-NZ 2.92Å; K284-K289 HydrophobicContact CB-CG 4.3Å; K284-K289 PolarHBondContact O-NZ 3.17Å; D285-K289 WeakPolarHBondContact O-CB 3.36Å; D285-K289 WeakPolarHBondContact O-CD 3.35Å; D285-K289 VanDerWaalsContact O-CG 3.27Å; D285-K289 WeakPolarHBondContact O-CG 3.37Å; D285-K289 PolarHBondContact O-N 3.42Å; D285-K289 VanDerWaalsContact O-N 3.1Å; A287-K289 PolarHBondContact O-N 3.38Å; K289-F293 WeakPolarHBondContact O-CD2 3.31Å; K289-F293 PolarHBondContact O-N 2.86Å
290Q87.7Confident89.5Confident73 Ų7366 Ų6634%0.34134%0.337SS..Hα-helixtrans-64.6-43.4178.9-78.2178.3-5.300111.5P286 A287 F293 Q294 N324P286-Q290 WeakPolarHBondContact O-CG 3.46Å; P286-Q290 PolarHBondContact O-N 3.2Å; P286-Q290 VanDerWaalsContact O-N 3.09Å; A287-Q290 PolarHBondContact O-N 3.37Å; Q290-F293 PolarHBondContact O-N 2.86Å; Q290-Q294 PolarHBondContact O-N 3.17Å; Q290-N324 PolarHBondContact NE2-O 3.15Å
291Q90.3Very high89.3Confident98 Ų9866.4 Ų66.446%0.45834%0.343SS..Hα-helixtrans-60.9-49.3175.7-172.961.651.300111.1A287 F293 Q294 D295A287-Q291 WeakPolarHBondContact O-CB 3.37Å; A287-Q291 PolarHBondContact O-N 2.79Å; Q291-F293 PolarHBondContact O-N 2.88Å; Q291-Q294 WeakPolarHBondContact O-CA 3.45Å; Q291-Q294 WeakPolarHBondContact O-CB 3.37Å; Q291-Q294 PolarHBondContact O-N 3.28Å; Q291-D295 WeakPolarHBondContact CG-OD2 3.22Å; Q291-D295 PolarHBondContact NE2-OD1 3.07Å; Q291-D295 PolarHBondContact NE2-OD2 3.45Å; Q291-D295 VanDerWaalsContact O-CG 3.31Å; Q291-D295 PolarHBondContact O-N 2.78Å
292F92.1Very high89.3Confident18 Ų1869.3 Ų69.38%0.07936%0.364CS..Hα-helixtrans-57.1-45.4176.1170.2-100000112.7F277 L278 E288 Q294 D295 L296F277-F292 HydrophobicContact CB-CD2 4.06Å; F277-F292 HydrophobicContact CB-CE2 4.09Å; F277-F292 HydrophobicContact CD1-CB 3.8Å; F277-F292 AromaticContact CD1-CD1 3.61Å; F277-F292 HydrophobicContact CD1-CD1 3.61Å; F277-F292 AromaticContact CD1-CD2 3.46Å; F277-F292 HydrophobicContact CD1-CD2 3.46Å; F277-F292 VanDerWaalsContact CD1-CD2 3.46Å; F277-F292 HydrophobicContact CD1-CE1 4.04Å; F277-F292 AromaticContact CD1-CE2 3.91Å; F277-F292 HydrophobicContact CD1-CE2 3.91Å; F277-F292 AromaticContact CD1-CG 3.29Å; F277-F292 HydrophobicContact CD1-CG 3.29Å; F277-F292 HydrophobicContact CD1-CZ 4.18Å; F277-F292 HydrophobicContact CD2-CB 4.49Å; F277-F292 HydrophobicContact CD2-CD2 4.39Å; F277-F292 HydrophobicContact CE1-CB 3.37Å; F277-F292 AromaticContact CE1-CD1 3.6Å; F277-F292 HydrophobicContact CE1-CD1 3.6Å; F277-F292 AromaticContact CE1-CD2 3.99Å; F277-F292 HydrophobicContact CE1-CD2 3.99Å; F277-F292 HydrophobicContact CE1-CE1 4.41Å; F277-F292 AromaticContact CE1-CG 3.35Å; F277-F292 HydrophobicContact CE1-CG 3.35Å; F277-F292 HydrophobicContact CE2-CB 4.12Å; F277-F292 HydrophobicContact CG-CB 4.35Å; F277-F292 AromaticContact CG-CD2 3.7Å; F277-F292 HydrophobicContact CG-CD2 3.7Å; F277-F292 HydrophobicContact CG-CE2 4.18Å; F277-F292 AromaticContact CG-CG 3.96Å; F277-F292 HydrophobicContact CG-CG 3.96Å; F277-F292 HydrophobicContact CZ-CB 3.55Å; F277-F292 HydrophobicContact CZ-CG 4.04Å; L278-F292 HydrophobicContact CD1-CZ 4.48Å; L278-F292 HydrophobicContact CD2-CE1 3.55Å; L278-F292 HydrophobicContact CD2-CZ 3.67Å; L278-F292 HydrophobicContact CG-CE1 4.25Å; L278-F292 HydrophobicContact CG-CZ 3.84Å; E288-F292 WeakPolarHBondContact O-CB 3.35Å; E288-F292 PolarHBondContact O-N 3.2Å; F292-Q294 PolarHBondContact O-N 3.24Å; F292-D295 PolarHBondContact O-N 3.06Å; F292-L296 HydrophobicContact CE1-CD2 4Å; F292-L296 HydrophobicContact CZ-CB 4.45Å; F292-L296 HydrophobicContact CZ-CD1 4.23Å; F292-L296 HydrophobicContact CZ-CD2 4.18Å; F292-L296 WeakPolarHBondContact O-CB 3.26Å; F292-L296 PolarHBondContact O-N 3Å
293F90.1Very high89.5Confident3 Ų363.4 Ų63.41%0.01334%0.336CS..Hα-helixtrans-69.4-20.8178.1-71.6-53.7000113.7I281 K289 Q290 Q291 L296 L316 A319 V328 I329 P332I281-F293 HydrophobicContact CD1-CE2 4.34Å; I281-F293 HydrophobicContact CD1-CZ 3.8Å; K289-F293 WeakPolarHBondContact O-CD2 3.31Å; K289-F293 PolarHBondContact O-N 2.86Å; Q290-F293 PolarHBondContact O-N 2.86Å; Q291-F293 PolarHBondContact O-N 2.88Å; F293-L296 HydrophobicContact CD1-CD2 3.98Å; F293-L296 HydrophobicContact CE1-CD2 4.47Å; F293-L316 HydrophobicContact CD1-CD2 3.54Å; F293-L316 HydrophobicContact CE1-CD2 3.64Å; F293-L316 HydrophobicContact CE1-CG 4.38Å; F293-L316 HydrophobicContact CG-CD2 4.43Å; F293-A319 HydrophobicContact CD2-CB 4.4Å; F293-A319 HydrophobicContact CE2-CB 3.45Å; F293-A319 VanDerWaalsContact CE2-CB 3.45Å; F293-A319 HydrophobicContact CZ-CB 3.6Å; F293-V328 HydrophobicContact CB-CG1 4.07Å; F293-I329 HydrophobicContact CB-CG2 4.02Å; F293-I329 HydrophobicContact CD1-CG2 4.22Å; F293-I329 HydrophobicContact CD2-CG2 3.95Å; F293-I329 HydrophobicContact CE2-CG2 4.48Å; F293-I329 HydrophobicContact CG-CG2 3.81Å; F293-P332 WeakPolarHBondContact O-CG 3.39Å
294Q88Confident89.4Confident114 Ų11457.6 Ų57.653%0.53331%0.307SS..Hα-helixtrans-74.8-53.6170.1-177.1167.8-28.100110.4Q290 Q291 F292 L296 N297 V328Q290-Q294 PolarHBondContact O-N 3.17Å; Q291-Q294 WeakPolarHBondContact O-CA 3.45Å; Q291-Q294 WeakPolarHBondContact O-CB 3.37Å; Q291-Q294 PolarHBondContact O-N 3.28Å; F292-Q294 PolarHBondContact O-N 3.24Å; Q294-L296 VanDerWaalsContact C-N 3.3Å; Q294-L296 PolarHBondContact O-N 3.29Å; Q294-N297 WeakPolarHBondContact O-CB 3.36Å; Q294-N297 PolarHBondContact O-N 3.03Å; Q294-N297 VanDerWaalsContact O-N 3.16Å; Q294-V328 HydrophobicContact CB-CG1 3.94Å
295D89.4Confident89.4Confident67 Ų6760 Ų6036%0.35832%0.319SS..Hα-helixtrans-69-27-177-56.6-26000113.1Q291 F292 N297 D298 H299Q291-D295 WeakPolarHBondContact CG-OD2 3.22Å; Q291-D295 PolarHBondContact NE2-OD1 3.07Å; Q291-D295 PolarHBondContact NE2-OD2 3.45Å; Q291-D295 VanDerWaalsContact O-CG 3.31Å; Q291-D295 PolarHBondContact O-N 2.78Å; F292-D295 PolarHBondContact O-N 3.06Å; D295-N297 PolarHBondContact O-N 3.3Å; D295-D298 PolarHBondContact O-N 2.91Å; D295-H299 PolarHBondContact O-ND1 3.18Å
296L88.9Confident89.4Confident2 Ų259.2 Ų59.21%0.0132%0.315CS..Hα-helixtrans-59.1-31.9173.3175.364.7000112.1F292 F293 Q294 D298 H299 L300 F303 V312F292-L296 HydrophobicContact CE1-CD2 4Å; F292-L296 HydrophobicContact CZ-CB 4.45Å; F292-L296 HydrophobicContact CZ-CD1 4.23Å; F292-L296 HydrophobicContact CZ-CD2 4.18Å; F292-L296 WeakPolarHBondContact O-CB 3.26Å; F292-L296 PolarHBondContact O-N 3Å; F293-L296 HydrophobicContact CD1-CD2 3.98Å; F293-L296 HydrophobicContact CE1-CD2 4.47Å; Q294-L296 VanDerWaalsContact C-N 3.3Å; Q294-L296 PolarHBondContact O-N 3.29Å; L296-D298 PolarHBondContact O-N 3.45Å; L296-H299 PolarHBondContact O-N 3.08Å; L296-L300 HydrophobicContact CD1-CD2 4.3Å; L296-L300 HydrophobicContact CD1-CG 3.95Å; L296-L300 HydrophobicContact CD2-CD1 4.49Å; L296-L300 HydrophobicContact CG-CD1 3.98Å; L296-L300 HydrophobicContact CG-CG 3.95Å; L296-L300 WeakPolarHBondContact O-CB 3.12Å; L296-L300 VanDerWaalsContact O-CG 3.29Å; L296-L300 WeakPolarHBondContact O-CG 3.32Å; L296-L300 PolarHBondContact O-N 3.47Å; L296-L300 VanDerWaalsContact O-N 3.09Å; L296-F303 HydrophobicContact CD1-CD2 4.26Å; L296-F303 HydrophobicContact CD1-CE2 3.75Å; L296-V312 HydrophobicContact CD2-CG1 3.86Å
297N86.6Confident89.7Confident33 Ų3355 Ų5518%0.17629%0.288CS..Hα-helixtrans-54.9-39.2178.1176.978.4000111.9Q294 D295 T331 P332 K335Q294-N297 WeakPolarHBondContact O-CB 3.36Å; Q294-N297 PolarHBondContact O-N 3.03Å; Q294-N297 VanDerWaalsContact O-N 3.16Å; D295-N297 PolarHBondContact O-N 3.3Å; N297-T331 WeakPolarHBondContact OD1-CB 3.06Å; N297-T331 WeakPolarHBondContact OD1-CG2 3.29Å; N297-P332 HydrophobicContact CB-CG 4.32Å; N297-K335 PolarHBondContact O-NZ 3.37Å; N297-K335 WeakPolarHBondContact OD1-CE 3.27Å
298D87.9Confident89.9Confident116 Ų11652.2 Ų52.262%0.6227%0.265SS*.Hα-helixtrans-84.5-18.3-168.3-59.8-14.3000112.1D295 L296D295-D298 PolarHBondContact O-N 2.91Å; L296-D298 PolarHBondContact O-N 3.45Å
299H86.8Confident90Very high71 Ų7149.9 Ų49.933%0.32925%0.253SS..Hα-helixtrans-98.4-20.6176-59.2117.2000114D295 L296 D301 S302 F303D295-H299 PolarHBondContact O-ND1 3.18Å; L296-H299 PolarHBondContact O-N 3.08Å; H299-D301 VanDerWaalsContact C-N 3.29Å; H299-D301 PolarHBondContact O-N 2.96Å; H299-D301 VanDerWaalsContact O-N 3.16Å; H299-S302 WeakPolarHBondContact O-CB 3.28Å; H299-S302 PolarHBondContact O-N 3.29Å; H299-S302 PolarHBondContact O-OG 3.29Å; H299-F303 HydrophobicContact CB-CD1 4.45Å; H299-F303 HydrophobicContact CB-CE1 3.71Å; H299-F303 HydrophobicContact CB-CE2 4.06Å; H299-F303 HydrophobicContact CB-CZ 3.49Å; H299-F303 VanDerWaalsContact CB-CZ 3.49Å; H299-F303 WeakPolarHBondContact O-CD1 3.42Å
300L88.9Confident90.1Very high1 Ų150.8 Ų50.81%0.00526%0.258CS..G310 helixtrans-55.9-34.8-170.6-99.3171.5000115.4L296 S302 F303 C308 V312 P332 K335 V336L296-L300 HydrophobicContact CD1-CD2 4.3Å; L296-L300 HydrophobicContact CD1-CG 3.95Å; L296-L300 HydrophobicContact CD2-CD1 4.49Å; L296-L300 HydrophobicContact CG-CD1 3.98Å; L296-L300 HydrophobicContact CG-CG 3.95Å; L296-L300 WeakPolarHBondContact O-CB 3.12Å; L296-L300 VanDerWaalsContact O-CG 3.29Å; L296-L300 WeakPolarHBondContact O-CG 3.32Å; L296-L300 PolarHBondContact O-N 3.47Å; L296-L300 VanDerWaalsContact O-N 3.09Å; L300-S302 PolarHBondContact O-N 3.46Å; L300-F303 HydrophobicContact CD2-CD2 4.36Å; L300-F303 PolarHBondContact O-N 3.46Å; L300-C308 VanDerWaalsContact CD2-SG 3.53Å; L300-V312 HydrophobicContact CD2-CG1 4.41Å; L300-P332 HydrophobicContact CD1-CB 3.77Å; L300-K335 HydrophobicContact CB-CD 4.15Å; L300-K335 HydrophobicContact CD1-CB 4.33Å; L300-V336 HydrophobicContact CD1-CG2 4.01Å; L300-V336 HydrophobicContact CD2-CG2 3.6Å; L300-V336 HydrophobicContact CG-CG2 4.47Å
301D88.3Confident90.4Very high104 Ų10448.5 Ų48.556%0.55625%0.247SC*.G310 helixtrans-73.3-10.1-179.9-54.3-54.3000112.7H299 K335H299-D301 VanDerWaalsContact C-N 3.29Å; H299-D301 PolarHBondContact O-N 2.96Å; H299-D301 VanDerWaalsContact O-N 3.16Å; D301-K335 IonicContact OD1-NZ 2.9Å; D301-K335 WeakPolarHBondContact OD2-CE 3.47Å; D301-K335 IonicContact OD2-NZ 3.52Å; D301-K335 PolarHBondContact OD2-NZ 3.15Å
302S89Confident90.6Very high68 Ų6843.9 Ų43.948%0.47623%0.226SC..G310 helixtrans-98.6-8.2173.8750000113.9H299 L300H299-S302 WeakPolarHBondContact O-CB 3.28Å; H299-S302 PolarHBondContact O-N 3.29Å; H299-S302 PolarHBondContact O-OG 3.29Å; L300-S302 PolarHBondContact O-N 3.46Å
303F92.1Very high90.7Very high10 Ų1043.1 Ų43.14%0.04422%0.222CC..SBendtrans-89.9148.4-171.5-72.7-4.5000112.4F271 L296 H299 L300 E305 F307F271-F303 HydrophobicContact CB-CD1 4.19Å; F271-F303 HydrophobicContact CB-CE1 3.77Å; F271-F303 HydrophobicContact CB-CZ 4.41Å; F271-F303 HydrophobicContact CD2-CB 4.45Å; F271-F303 AromaticContact CD2-CD1 3.65Å; F271-F303 HydrophobicContact CD2-CD1 3.65Å; F271-F303 HydrophobicContact CD2-CD2 4.29Å; F271-F303 AromaticContact CD2-CE1 3.83Å; F271-F303 HydrophobicContact CD2-CE1 3.83Å; F271-F303 HydrophobicContact CD2-CE2 4.44Å; F271-F303 AromaticContact CD2-CG 3.89Å; F271-F303 HydrophobicContact CD2-CG 3.89Å; F271-F303 HydrophobicContact CD2-CZ 4.22Å; F271-F303 HydrophobicContact CE2-CG 4.38Å; F271-F303 HydrophobicContact CG-CD1 4.34Å; F271-F303 HydrophobicContact CG-CE1 4.3Å; L296-F303 HydrophobicContact CD1-CD2 4.26Å; L296-F303 HydrophobicContact CD1-CE2 3.75Å; H299-F303 HydrophobicContact CB-CD1 4.45Å; H299-F303 HydrophobicContact CB-CE1 3.71Å; H299-F303 HydrophobicContact CB-CE2 4.06Å; H299-F303 HydrophobicContact CB-CZ 3.49Å; H299-F303 VanDerWaalsContact CB-CZ 3.49Å; H299-F303 WeakPolarHBondContact O-CD1 3.42Å; L300-F303 HydrophobicContact CD2-CD2 4.36Å; L300-F303 PolarHBondContact O-N 3.46Å; F303-E305 PolarHBondContact O-N 3.46Å; F303-F307 HydrophobicContact CB-CD1 4.2Å; F303-F307 HydrophobicContact CB-CE1 4.41Å; F303-F307 HydrophobicContact CD2-CD1 4.29Å; F303-F307 AromaticContact CD2-CE1 3.66Å; F303-F307 HydrophobicContact CD2-CE1 3.66Å; F303-F307 HydrophobicContact CE2-CE1 4.21Å; F303-F307 HydrophobicContact CG-CE1 4.3Å
304P90.9Very high90.8Very high23 Ų2345.6 Ų45.615%0.14924%0.238CC..  trans-58.3136.2-179.6-2333.7000112.5E115 F271 D306 F307 C308E115-P304 HydrophobicContact CG-CB 4.07Å; E115-P304 HydrophobicContact CG-CG 3.46Å; E115-P304 VanDerWaalsContact CG-CG 3.46Å; F271-P304 HydrophobicContact CE1-CG 4.41Å; F271-P304 VanDerWaalsContact CE2-CD 3.45Å; F271-P304 HydrophobicContact CE2-CG 4.13Å; F271-P304 HydrophobicContact CZ-CG 3.84Å; P304-D306 VanDerWaalsContact C-N 3.34Å; P304-D306 PolarHBondContact O-N 2.94Å; P304-F307 HydrophobicContact CB-CB 4.18Å; P304-F307 WeakPolarHBondContact O-CB 3.45Å; P304-F307 PolarHBondContact O-N 3.5Å; P304-C308 PolarHBondContact O-N 3.31Å
305E90.7Very high91Very high93 Ų9342.4 Ų42.444%0.43522%0.224SC..Hα-helixtrans-55.7-46.2-174.6-170.1-175170.200112.5F303 C308 K309 F339F303-E305 PolarHBondContact O-N 3.46Å; E305-C308 WeakPolarHBondContact O-CB 3.46Å; E305-C308 PolarHBondContact O-N 3.09Å; E305-K309 HydrophobicContact CG-CD 4.36Å; E305-K309 WeakPolarHBondContact O-CG 3.31Å; E305-K309 PolarHBondContact O-N 2.84Å; E305-K309 WeakPolarHBondContact OE1-CE 3.35Å; E305-K309 IonicContact OE1-NZ 3.76Å; E305-K309 PolarHBondContact OE1-NZ 3.36Å; E305-K309 IonicContact OE2-NZ 3.42Å; E305-F339 HydrophobicContact CG-CB 3.74Å; E305-F339 HydrophobicContact CG-CD1 3.7Å; E305-F339 HydrophobicContact CG-CE1 4.41Å; E305-F339 HydrophobicContact CG-CG 3.75Å
306D91.4Very high91.1Very high66 Ų6639.3 Ų39.335%0.35321%0.207SC..Hα-helixtrans-71.3-32.4-177.7-69.5-28000112.4P304 K309 H310P304-D306 VanDerWaalsContact C-N 3.34Å; P304-D306 PolarHBondContact O-N 2.94Å; D306-K309 PolarHBondContact O-N 3.41Å; D306-K309 IonicContact OD1-NZ 3.24Å; D306-H310 VanDerWaalsContact O-CB 3.3Å; D306-H310 WeakPolarHBondContact O-CB 3.28Å; D306-H310 PolarHBondContact O-CD2 2.96Å; D306-H310 PolarHBondContact O-N 3.42Å
307F93.2Very high91.2Very high3 Ų340.8 Ų40.81%0.01322%0.215CC..Hα-helixtrans-62.7-44.6168.8164.6-94.7000111.1A151 F271 N275 L278 F303 P304 K311 V312A151-F307 WeakPolarHBondContact O-CA 3.27Å; F271-F307 HydrophobicContact CD2-CD1 4.47Å; F271-F307 HydrophobicContact CD2-CE1 4.26Å; F271-F307 HydrophobicContact CE2-CB 4.32Å; F271-F307 AromaticContact CE2-CD1 3.57Å; F271-F307 HydrophobicContact CE2-CD1 3.57Å; F271-F307 AromaticContact CE2-CD2 3.94Å; F271-F307 HydrophobicContact CE2-CD2 3.94Å; F271-F307 AromaticContact CE2-CE1 3.69Å; F271-F307 HydrophobicContact CE2-CE1 3.69Å; F271-F307 HydrophobicContact CE2-CE2 4.09Å; F271-F307 AromaticContact CE2-CG 3.67Å; F271-F307 HydrophobicContact CE2-CG 3.67Å; F271-F307 AromaticContact CE2-CZ 3.96Å; F271-F307 HydrophobicContact CE2-CZ 3.96Å; F271-F307 HydrophobicContact CZ-CB 4.37Å; F271-F307 HydrophobicContact CZ-CD1 4.39Å; F271-F307 HydrophobicContact CZ-CD2 4.13Å; F271-F307 HydrophobicContact CZ-CG 4.05Å; N275-F307 WeakPolarHBondContact ND2-CE2 3.16Å; N275-F307 WeakPolarHBondContact OD1-CE2 3.42Å; L278-F307 HydrophobicContact CD1-CE2 4.12Å; L278-F307 HydrophobicContact CD1-CZ 3.76Å; F303-F307 HydrophobicContact CB-CD1 4.2Å; F303-F307 HydrophobicContact CB-CE1 4.41Å; F303-F307 HydrophobicContact CD2-CD1 4.29Å; F303-F307 AromaticContact CD2-CE1 3.66Å; F303-F307 HydrophobicContact CD2-CE1 3.66Å; F303-F307 HydrophobicContact CE2-CE1 4.21Å; F303-F307 HydrophobicContact CG-CE1 4.3Å; P304-F307 HydrophobicContact CB-CB 4.18Å; P304-F307 WeakPolarHBondContact O-CB 3.45Å; P304-F307 PolarHBondContact O-N 3.5Å; F307-K311 HydrophobicContact CD2-CB 3.85Å; F307-K311 HydrophobicContact CD2-CD 3.96Å; F307-K311 HydrophobicContact CD2-CG 4.18Å; F307-K311 HydrophobicContact CE2-CB 4.02Å; F307-K311 HydrophobicContact CE2-CD 3.71Å; F307-K311 HydrophobicContact CE2-CG 3.89Å; F307-K311 WeakPolarHBondContact O-CA 3.29Å; F307-K311 WeakPolarHBondContact O-CB 3.22Å; F307-K311 PolarHBondContact O-N 2.93Å; F307-V312 HydrophobicContact CD1-CG2 3.68Å; F307-V312 HydrophobicContact CE1-CG2 3.18Å; F307-V312 HydrophobicContact CE2-CG2 4.4Å; F307-V312 HydrophobicContact CZ-CG2 3.6Å; F307-V312 PolarHBondContact O-N 2.92Å
308C93.9Very high91.3Very high0 Ų041.9 Ų41.90%022%0.223CC..Iπ-helixtrans-60.4-47176.3-720000111.5L300 P304 E305 L313 V336 F339L300-C308 VanDerWaalsContact CD2-SG 3.53Å; P304-C308 PolarHBondContact O-N 3.31Å; E305-C308 WeakPolarHBondContact O-CB 3.46Å; E305-C308 PolarHBondContact O-N 3.09Å; C308-L313 PolarHBondContact O-N 2.92Å; C308-V336 HydrophobicContact CB-CG1 4.21Å; C308-V336 HydrophobicContact CB-CG2 4.22Å; C308-V336 WeakPolarHBondContact O-CG1 3.5Å; C308-F339 HydrophobicContact CB-CD2 3.8Å; C308-F339 HydrophobicContact CB-CE2 3.82Å
309K93.3Very high91.2Very high33 Ų3337 Ų3714%0.14320%0.199CC..Iπ-helixtrans-63.6-44.2177.3-72.5170.4-179.2160.50114.2E305 D306 F339 L340E305-K309 HydrophobicContact CG-CD 4.36Å; E305-K309 WeakPolarHBondContact O-CG 3.31Å; E305-K309 PolarHBondContact O-N 2.84Å; E305-K309 WeakPolarHBondContact OE1-CE 3.35Å; E305-K309 IonicContact OE1-NZ 3.76Å; E305-K309 PolarHBondContact OE1-NZ 3.36Å; E305-K309 IonicContact OE2-NZ 3.42Å; D306-K309 PolarHBondContact O-N 3.41Å; D306-K309 IonicContact OD1-NZ 3.24Å; K309-F339 WeakPolarHBondContact CE-O 3.26Å; K309-F339 HydrophobicContact CG-CB 4.24Å; K309-L340 HydrophobicContact CG-CD2 4.27Å
310H93.1Very high91.1Very high70 Ų7034.9 Ų34.932%0.32419%0.189SC..Iπ-helixtrans-109.9-16.6-163.1-63.8-60.9000114.6R150 A151 D306R150-H310 PolarHBondContact O-CD2 3.07Å; A151-H310 HydrophobicContact CB-CB 3.8Å; D306-H310 VanDerWaalsContact O-CB 3.3Å; D306-H310 WeakPolarHBondContact O-CB 3.28Å; D306-H310 PolarHBondContact O-CD2 2.96Å; D306-H310 PolarHBondContact O-N 3.42Å
311K92.9Very high90.8Very high26 Ų2639.4 Ų39.411%0.11321%0.21CC..Iπ-helixtrans-119.4-39.4175.7-173163.2172.1-173.40113.6A151 E153 N275 L278 F307 Q315A151-K311 HydrophobicContact CB-CB 4.04Å; E153-K311 IonicContact OE1-NZ 3.38Å; E153-K311 PolarHBondContact OE1-NZ 3.02Å; N275-K311 WeakPolarHBondContact OD1-CE 3.38Å; N275-K311 PolarHBondContact OD1-NZ 3.12Å; L278-K311 HydrophobicContact CD1-CG 4.25Å; F307-K311 HydrophobicContact CD2-CB 3.85Å; F307-K311 HydrophobicContact CD2-CD 3.96Å; F307-K311 HydrophobicContact CD2-CG 4.18Å; F307-K311 HydrophobicContact CE2-CB 4.02Å; F307-K311 HydrophobicContact CE2-CD 3.71Å; F307-K311 HydrophobicContact CE2-CG 3.89Å; F307-K311 WeakPolarHBondContact O-CA 3.29Å; F307-K311 WeakPolarHBondContact O-CB 3.22Å; F307-K311 PolarHBondContact O-N 2.93Å; K311-Q315 WeakPolarHBondContact O-CG 3.23Å
312V94.3Very high90.4Very high1 Ų142.7 Ų42.71%0.00622%0.219CC..Iπ-helixtrans-77.4-52.3177.9-175.40000112.3L278 L296 L300 F307 Q315 L316 V336L278-V312 HydrophobicContact CD1-CG2 4.39Å; L296-V312 HydrophobicContact CD2-CG1 3.86Å; L300-V312 HydrophobicContact CD2-CG1 4.41Å; F307-V312 HydrophobicContact CD1-CG2 3.68Å; F307-V312 HydrophobicContact CE1-CG2 3.18Å; F307-V312 HydrophobicContact CE2-CG2 4.4Å; F307-V312 HydrophobicContact CZ-CG2 3.6Å; F307-V312 PolarHBondContact O-N 2.92Å; V312-Q315 PolarHBondContact O-N 3.12Å; V312-L316 HydrophobicContact CG1-CD1 3.82Å; V312-L316 HydrophobicContact CG1-CG 4.08Å; V312-L316 PolarHBondContact O-N 3.41Å; V312-V336 HydrophobicContact CG1-CG2 4.22Å
313L94.2Very high89.3Confident2 Ų241.2 Ų41.21%0.0121%0.214CC..Hα-helixtrans-54.1-46.8-176.1-178.962.7000113.3C308 Q315 L316 L317 L333 V336 L340 K348C308-L313 PolarHBondContact O-N 2.92Å; L313-Q315 PolarHBondContact O-N 2.98Å; L313-L316 PolarHBondContact O-N 3.31Å; L313-L317 HydrophobicContact CD1-CD1 4.13Å; L313-L317 HydrophobicContact CD1-CD2 4.36Å; L313-L317 HydrophobicContact CD1-CG 4.03Å; L313-L317 HydrophobicContact CG-CD1 3.91Å; L313-L317 HydrophobicContact CG-CG 4.27Å; L313-L317 VanDerWaalsContact O-CG 3.28Å; L313-L317 WeakPolarHBondContact O-CG 3.45Å; L313-L317 PolarHBondContact O-N 2.8Å; L313-L333 HydrophobicContact CD1-CD1 3.55Å; L313-V336 HydrophobicContact CB-CG1 3.87Å; L313-V336 HydrophobicContact CD1-CG1 4.35Å; L313-L340 HydrophobicContact CD2-CD1 3.86Å; L313-L340 HydrophobicContact CD2-CD2 3.99Å; L313-L340 HydrophobicContact CD2-CG 4.4Å; L313-K348 HydrophobicContact CD2-CD 3.87Å
314P92.4Very high88.2Confident54 Ų5447.3 Ų47.335%0.35125%0.248SC..Hα-helixtrans-61.1-31.2178.2-24.136000113.6T318P314-T318 VanDerWaalsContact O-CB 3.27Å; P314-T318 WeakPolarHBondContact O-CB 3.46Å; P314-T318 PolarHBondContact O-N 3.23Å; P314-T318 PolarHBondContact O-OG1 3.03Å
315Q91.8Very high87.3Confident48 Ų4846.5 Ų46.522%0.22424%0.243CC..Hα-helixtrans-76.2-38177.4-60.6-64.5-18.100111.5L278 K311 V312 L313 T318 A319L278-Q315 HydrophobicContact CD2-CB 4.34Å; L278-Q315 HydrophobicContact CD2-CG 4.22Å; K311-Q315 WeakPolarHBondContact O-CG 3.23Å; V312-Q315 PolarHBondContact O-N 3.12Å; L313-Q315 PolarHBondContact O-N 2.98Å; Q315-T318 PolarHBondContact O-N 3.38Å; Q315-A319 WeakPolarHBondContact O-CB 3.1Å; Q315-A319 PolarHBondContact O-N 2.94Å
316L92Very high86.6Confident1 Ų143.3 Ų43.31%0.00524%0.235CC..Hα-helixtrans-62.1-44.2171.5-69.6172.1000111.8F293 V312 L313 A319 F320 I329 P332 V336F293-L316 HydrophobicContact CD1-CD2 3.54Å; F293-L316 HydrophobicContact CE1-CD2 3.64Å; F293-L316 HydrophobicContact CE1-CG 4.38Å; F293-L316 HydrophobicContact CG-CD2 4.43Å; V312-L316 HydrophobicContact CG1-CD1 3.82Å; V312-L316 HydrophobicContact CG1-CG 4.08Å; V312-L316 PolarHBondContact O-N 3.41Å; L313-L316 PolarHBondContact O-N 3.31Å; L316-A319 PolarHBondContact O-N 3.49Å; L316-F320 PolarHBondContact O-N 2.96Å; L316-I329 HydrophobicContact CD2-CB 4Å; L316-I329 HydrophobicContact CD2-CG2 3.79Å; L316-P332 HydrophobicContact CD1-CB 3.9Å; L316-P332 HydrophobicContact CD2-CB 3.82Å; L316-V336 HydrophobicContact CD1-CG2 4.28Å
317L90.9Very high86.1Confident33 Ų3340.6 Ų40.617%0.17322%0.222CC..Hα-helixtrans-63.6-46.8176.5-64.3172000111L313 A319 F320 E321 L333 K348 V352L313-L317 HydrophobicContact CD1-CD1 4.13Å; L313-L317 HydrophobicContact CD1-CD2 4.36Å; L313-L317 HydrophobicContact CD1-CG 4.03Å; L313-L317 HydrophobicContact CG-CD1 3.91Å; L313-L317 HydrophobicContact CG-CG 4.27Å; L313-L317 VanDerWaalsContact O-CG 3.28Å; L313-L317 WeakPolarHBondContact O-CG 3.45Å; L313-L317 PolarHBondContact O-N 2.8Å; L317-A319 PolarHBondContact O-N 3.04Å; L317-F320 WeakPolarHBondContact O-CB 3.27Å; L317-F320 PolarHBondContact O-N 2.83Å; L317-F320 VanDerWaalsContact O-N 3.15Å; L317-E321 WeakPolarHBondContact O-CG 3.4Å; L317-E321 PolarHBondContact O-N 3.46Å; L317-L333 HydrophobicContact CD2-CD1 4.19Å; L317-K348 WeakPolarHBondContact CD2-O 3.34Å; L317-V352 HydrophobicContact CD2-CB 4.41Å; L317-V352 HydrophobicContact CD2-CG2 3.65Å
318T89.2Confident85.7Confident56 Ų5642 Ų4234%0.34423%0.23SC..Hα-helixtrans-63.1-40.8177.5-58.80000111.9P314 Q315 F320 E321 F322P314-T318 VanDerWaalsContact O-CB 3.27Å; P314-T318 WeakPolarHBondContact O-CB 3.46Å; P314-T318 PolarHBondContact O-N 3.23Å; P314-T318 PolarHBondContact O-OG1 3.03Å; Q315-T318 PolarHBondContact O-N 3.38Å; T318-F320 VanDerWaalsContact C-N 3.26Å; T318-F320 PolarHBondContact O-N 3.39Å; T318-E321 PolarHBondContact O-N 3.35Å; T318-F322 HydrophobicContact CG2-CD2 4.22Å; T318-F322 PolarHBondContact O-N 2.93Å
319A86.2Confident85.5Confident14 Ų1442 Ų4212%0.11623%0.23CC..Hα-helixtrans-67.5-24.4176.400000113F293 Q315 L316 L317 G323 A325F293-A319 HydrophobicContact CD2-CB 4.4Å; F293-A319 HydrophobicContact CE2-CB 3.45Å; F293-A319 VanDerWaalsContact CE2-CB 3.45Å; F293-A319 HydrophobicContact CZ-CB 3.6Å; Q315-A319 WeakPolarHBondContact O-CB 3.1Å; Q315-A319 PolarHBondContact O-N 2.94Å; L316-A319 PolarHBondContact O-N 3.49Å; L317-A319 PolarHBondContact O-N 3.04Å; A319-G323 CarbonylContact O-C 3.46Å; A319-G323 VanDerWaalsContact O-C 3.3Å; A319-G323 WeakPolarHBondContact O-CA 3.26Å; A319-G323 PolarHBondContact O-N 3.16Å; A319-A325 HydrophobicContact CB-CB 4.08Å; A319-A325 VanDerWaalsContact O-CB 3.28Å; A319-A325 WeakPolarHBondContact O-CB 3.37Å
320F84.6Confident85.1Confident27 Ų2740.4 Ų40.412%0.11822%0.223CC..Hα-helixtrans-77.6-46.7167.7179.7-119.3000112.7L316 L317 T318 I329 V352 K355 M356 M364L316-F320 PolarHBondContact O-N 2.96Å; L317-F320 WeakPolarHBondContact O-CB 3.27Å; L317-F320 PolarHBondContact O-N 2.83Å; L317-F320 VanDerWaalsContact O-N 3.15Å; T318-F320 VanDerWaalsContact C-N 3.26Å; T318-F320 PolarHBondContact O-N 3.39Å; F320-I329 HydrophobicContact CB-CD1 3.47Å; F320-I329 VanDerWaalsContact CB-CD1 3.47Å; F320-I329 HydrophobicContact CD2-CD1 4.03Å; F320-I329 HydrophobicContact CG-CD1 4.13Å; F320-V352 HydrophobicContact CD1-CB 4.15Å; F320-V352 HydrophobicContact CD1-CG1 3.55Å; F320-V352 HydrophobicContact CD1-CG2 3.82Å; F320-V352 HydrophobicContact CE1-CB 4.26Å; F320-V352 HydrophobicContact CE1-CG1 3.79Å; F320-V352 HydrophobicContact CE1-CG2 4.22Å; F320-V352 HydrophobicContact CG-CG1 4.11Å; F320-K355 HydrophobicContact CE1-CB 3.9Å; F320-K355 HydrophobicContact CE1-CD 3.67Å; F320-K355 HydrophobicContact CE1-CG 3.71Å; F320-K355 HydrophobicContact CZ-CB 4.11Å; F320-K355 HydrophobicContact CZ-CD 4.18Å; F320-K355 HydrophobicContact CZ-CG 3.79Å; F320-M356 HydrophobicContact CD1-CE 4.4Å; F320-M356 HydrophobicContact CD2-CE 3.58Å; F320-M356 HydrophobicContact CD2-CG 4.08Å; F320-M356 HydrophobicContact CE1-CG 3.98Å; F320-M356 HydrophobicContact CE2-CB 4.45Å; F320-M356 HydrophobicContact CE2-CE 3.86Å; F320-M356 HydrophobicContact CE2-CG 3.34Å; F320-M356 HydrophobicContact CE2-SD 4.47Å; F320-M356 HydrophobicContact CG-CE 3.88Å; F320-M356 HydrophobicContact CZ-CB 4.21Å; F320-M356 HydrophobicContact CZ-CE 4.37Å; F320-M356 HydrophobicContact CZ-CG 3.28Å; F320-M364 HydrophobicContact CD2-CE 4.48Å; F320-M364 HydrophobicContact CE2-CE 4.03Å; F320-M364 HydrophobicContact CE2-SD 4.33Å
321E83.2Confident84.9Confident96 Ų9638.9 Ų38.945%0.44922%0.219SC..Hα-helixtrans-73.8-34.2-169.5-71.4-163.1136.800113.8L317 T318L317-E321 WeakPolarHBondContact O-CG 3.4Å; L317-E321 PolarHBondContact O-N 3.46Å; T318-E321 PolarHBondContact O-N 3.35Å
322F79.7Confident84.8Confident173 Ų17337.7 Ų37.776%0.75921%0.214SC*.THydrogen-bonded Turntrans-126.3-10-174.3-54.3-80.5000113.5T318T318-F322 HydrophobicContact CG2-CD2 4.22Å; T318-F322 PolarHBondContact O-N 2.93Å
323G65.9Low84.8Confident36 Ų3637.7 Ų37.737%0.37121%0.214SC..SBendtrans-103.5152.7-178.700000113.2A319 A325A319-G323 CarbonylContact O-C 3.46Å; A319-G323 VanDerWaalsContact O-C 3.3Å; A319-G323 WeakPolarHBondContact O-CA 3.26Å; A319-G323 PolarHBondContact O-N 3.16Å; G323-A325 PolarHBondContact O-N 3.48Å; G323-A325 VanDerWaalsContact O-N 3.08Å
324N69.3Low84.5Confident139 Ų13937.8 Ų37.874%0.74321%0.214SC*.  trans-83.446.2168.9-165.733.2000111.2Q290 G326Q290-N324 PolarHBondContact NE2-O 3.15Å; N324-G326 VanDerWaalsContact C-N 3.26Å; N324-G326 PolarHBondContact O-N 3.09Å
325A70.6Confident84.4Confident6 Ų636.8 Ų36.85%0.0520%0.204CC..  trans-76.6-14.8-177.700000113.1A319 G323 V328 I329A319-A325 HydrophobicContact CB-CB 4.08Å; A319-A325 VanDerWaalsContact O-CB 3.28Å; A319-A325 WeakPolarHBondContact O-CB 3.37Å; G323-A325 PolarHBondContact O-N 3.48Å; G323-A325 VanDerWaalsContact O-N 3.08Å; A325-V328 PolarHBondContact O-N 3.02Å; A325-I329 HydrophobicContact CB-CD1 4.34Å; A325-I329 HydrophobicContact CB-CG1 4.43Å; A325-I329 HydrophobicContact CB-CG2 3.79Å
326G75.9Confident84.5Confident26 Ų2634.5 Ų34.527%0.26819%0.194SC..THydrogen-bonded Turntrans56.2-140.9172.200000113.2N324 V328 I329 M364N324-G326 VanDerWaalsContact C-N 3.26Å; N324-G326 PolarHBondContact O-N 3.09Å; G326-V328 VanDerWaalsContact C-N 3.3Å; G326-V328 PolarHBondContact O-N 3.45Å; G326-I329 WeakPolarHBondContact O-CG1 3.36Å; G326-M364 VanDerWaalsContact C-CE 3.46Å; G326-M364 WeakPolarHBondContact O-CE 3.49Å
327A82.2Confident84.4Confident9 Ų934.4 Ų34.47%0.07419%0.193CC..THydrogen-bonded Turntrans-76.2-11-179.700000114.4I329 L330 M364 R367A327-I329 PolarHBondContact O-N 3.17Å; A327-L330 HydrophobicContact CB-CD1 4.25Å; A327-L330 WeakPolarHBondContact O-CB 3.27Å; A327-L330 PolarHBondContact O-N 3.17Å; A327-M364 HydrophobicContact CB-CB 4.45Å; A327-R367 WeakPolarHBondContact O-CD 3.49Å; A327-R367 PolarHBondContact O-NH1 2.91Å
328V84.7Confident84.3Confident32 Ų3240 Ų4019%0.19422%0.216CC..THydrogen-bonded Turntrans-59.6-46.2-171.4-177.70000111.3F293 Q294 A325 G326 L330 P332F293-V328 HydrophobicContact CB-CG1 4.07Å; Q294-V328 HydrophobicContact CB-CG1 3.94Å; A325-V328 PolarHBondContact O-N 3.02Å; G326-V328 VanDerWaalsContact C-N 3.3Å; G326-V328 PolarHBondContact O-N 3.45Å; V328-L330 PolarHBondContact O-N 2.9Å; V328-L330 VanDerWaalsContact O-N 3.16Å; V328-P332 WeakPolarHBondContact O-CD 3.44Å
329I88.3Confident84.3Confident0 Ų040.1 Ų40.10%021%0.212CC..THydrogen-bonded Turntrans-67-10.9-177.354.7165.4000115.5F293 L316 F320 A325 G326 A327 P332 L333 M356F293-I329 HydrophobicContact CB-CG2 4.02Å; F293-I329 HydrophobicContact CD1-CG2 4.22Å; F293-I329 HydrophobicContact CD2-CG2 3.95Å; F293-I329 HydrophobicContact CE2-CG2 4.48Å; F293-I329 HydrophobicContact CG-CG2 3.81Å; L316-I329 HydrophobicContact CD2-CB 4Å; L316-I329 HydrophobicContact CD2-CG2 3.79Å; F320-I329 HydrophobicContact CB-CD1 3.47Å; F320-I329 VanDerWaalsContact CB-CD1 3.47Å; F320-I329 HydrophobicContact CD2-CD1 4.03Å; F320-I329 HydrophobicContact CG-CD1 4.13Å; A325-I329 HydrophobicContact CB-CD1 4.34Å; A325-I329 HydrophobicContact CB-CG1 4.43Å; A325-I329 HydrophobicContact CB-CG2 3.79Å; G326-I329 WeakPolarHBondContact O-CG1 3.36Å; A327-I329 PolarHBondContact O-N 3.17Å; I329-P332 WeakPolarHBondContact O-CD 3.4Å; I329-L333 WeakPolarHBondContact O-CB 3.28Å; I329-L333 PolarHBondContact O-N 2.8Å; I329-M356 HydrophobicContact CD1-CE 3.9Å; I329-M356 HydrophobicContact CG1-CE 4.32Å
330L86.6Confident84.6Confident0 Ų040 Ų400%021%0.209CC..Hα-helixtrans-61.5-49.7-175.1-85.3164.8000112.7A327 V328 L333 F334 M356 R367 L368A327-L330 HydrophobicContact CB-CD1 4.25Å; A327-L330 WeakPolarHBondContact O-CB 3.27Å; A327-L330 PolarHBondContact O-N 3.17Å; V328-L330 PolarHBondContact O-N 2.9Å; V328-L330 VanDerWaalsContact O-N 3.16Å; L330-L333 PolarHBondContact O-N 3.21Å; L330-F334 HydrophobicContact CB-CE2 4.31Å; L330-F334 HydrophobicContact CD2-CE1 4.32Å; L330-F334 HydrophobicContact CD2-CE2 3.73Å; L330-F334 HydrophobicContact CD2-CZ 3.49Å; L330-F334 VanDerWaalsContact CD2-CZ 3.49Å; L330-F334 VanDerWaalsContact O-CD2 3.31Å; L330-F334 WeakPolarHBondContact O-CD2 2.83Å; L330-F334 WeakPolarHBondContact O-CG 3.43Å; L330-F334 PolarHBondContact O-N 3.35Å; L330-M356 HydrophobicContact CD2-CE 3.98Å; L330-M356 HydrophobicContact CD2-SD 3.46Å; L330-M356 WeakPolarHBondContact CD2-SD 3.17Å; L330-M356 HydrophobicContact CG-CE 4.29Å; L330-M356 HydrophobicContact CG-SD 4.27Å; L330-R367 HydrophobicContact CB-CG 4.44Å; L330-R367 HydrophobicContact CD1-CB 3.93Å; L330-R367 HydrophobicContact CD1-CG 3.87Å; L330-L368 HydrophobicContact CD1-CD2 4.3Å; L330-L368 HydrophobicContact CD1-CG 4.29Å; L330-L368 HydrophobicContact CD2-CD2 3.74Å
331T88Confident84.9Confident37 Ų3741.3 Ų41.323%0.22722%0.222CC..Hα-helixtrans-66.5-45.2179.8-39.70000112.2N297 L333 F334 K335 Q371N297-T331 WeakPolarHBondContact OD1-CB 3.06Å; N297-T331 WeakPolarHBondContact OD1-CG2 3.29Å; T331-L333 VanDerWaalsContact C-N 3.35Å; T331-L333 PolarHBondContact O-N 3.03Å; T331-F334 PolarHBondContact O-N 2.98Å; T331-K335 WeakPolarHBondContact O-CB 3.37Å; T331-K335 WeakPolarHBondContact O-CG 3.49Å; T331-K335 PolarHBondContact O-N 3.05Å; T331-Q371 PolarHBondContact OG1-NE2 3.46Å
332P91.6Very high85.2Confident2 Ų239.9 Ų39.91%0.01323%0.226CC..Hα-helixtrans-53.3-45.3167.7-29.635.6000114.2F293 N297 L300 L316 V328 I329 F334 K335 V336F293-P332 WeakPolarHBondContact O-CG 3.39Å; N297-P332 HydrophobicContact CB-CG 4.32Å; L300-P332 HydrophobicContact CD1-CB 3.77Å; L316-P332 HydrophobicContact CD1-CB 3.9Å; L316-P332 HydrophobicContact CD2-CB 3.82Å; V328-P332 WeakPolarHBondContact O-CD 3.44Å; I329-P332 WeakPolarHBondContact O-CD 3.4Å; P332-F334 PolarHBondContact O-N 2.94Å; P332-K335 PolarHBondContact O-N 2.91Å; P332-V336 WeakPolarHBondContact O-CB 3.36Å; P332-V336 WeakPolarHBondContact O-CG2 3.33Å; P332-V336 PolarHBondContact O-N 3.2Å
333L92.6Very high85.7Confident1 Ų138 Ų381%0.00522%0.22CC..Hα-helixtrans-63-42.1-179.4-178.465.5000111.7L313 L317 I329 L330 T331 G337 I349 V352 M356L313-L333 HydrophobicContact CD1-CD1 3.55Å; L317-L333 HydrophobicContact CD2-CD1 4.19Å; I329-L333 WeakPolarHBondContact O-CB 3.28Å; I329-L333 PolarHBondContact O-N 2.8Å; L330-L333 PolarHBondContact O-N 3.21Å; T331-L333 VanDerWaalsContact C-N 3.35Å; T331-L333 PolarHBondContact O-N 3.03Å; L333-G337 PolarHBondContact O-N 3.27Å; L333-I349 HydrophobicContact CD1-CD1 4.19Å; L333-I349 HydrophobicContact CD1-CG1 4.18Å; L333-I349 HydrophobicContact CD2-CG2 4.43Å; L333-I349 HydrophobicContact CG-CD1 4.46Å; L333-I349 HydrophobicContact CG-CG2 4.42Å; L333-V352 HydrophobicContact CD2-CG1 3.76Å; L333-M356 HydrophobicContact CD2-CE 4.03Å
334F89.6Confident87Confident4 Ų438.6 Ų38.62%0.01821%0.213CC..Hα-helixtrans-75.5-34.2177.4-58.9-32.3000113.1L330 T331 P332 G337 K338 I353 Q371 Q374 F375L330-F334 HydrophobicContact CB-CE2 4.31Å; L330-F334 HydrophobicContact CD2-CE1 4.32Å; L330-F334 HydrophobicContact CD2-CE2 3.73Å; L330-F334 HydrophobicContact CD2-CZ 3.49Å; L330-F334 VanDerWaalsContact CD2-CZ 3.49Å; L330-F334 VanDerWaalsContact O-CD2 3.31Å; L330-F334 WeakPolarHBondContact O-CD2 2.83Å; L330-F334 WeakPolarHBondContact O-CG 3.43Å; L330-F334 PolarHBondContact O-N 3.35Å; T331-F334 PolarHBondContact O-N 2.98Å; P332-F334 PolarHBondContact O-N 2.94Å; F334-G337 PolarHBondContact O-N 3.47Å; F334-K338 PolarHBondContact O-N 2.95Å; F334-I353 HydrophobicContact CE1-CD1 3.71Å; F334-I353 HydrophobicContact CE1-CG1 4.01Å; F334-I353 HydrophobicContact CZ-CD1 4.31Å; F334-I353 HydrophobicContact CZ-CG1 4.44Å; F334-Q371 HydrophobicContact CD2-CB 4.09Å; F334-Q371 HydrophobicContact CE2-CB 3.78Å; F334-Q374 VanDerWaalsContact CB-OE1 3.26Å; F334-F375 AromaticContact CE1-CD1 3.84Å; F334-F375 HydrophobicContact CE1-CD1 3.84Å; F334-F375 HydrophobicContact CE1-CE1 4.44Å; F334-F375 HydrophobicContact CE1-CG 4.46Å; F334-F375 AromaticContact CE2-CD1 3.81Å; F334-F375 HydrophobicContact CE2-CD1 3.81Å; F334-F375 AromaticContact CE2-CE1 3.91Å; F334-F375 HydrophobicContact CE2-CE1 3.91Å; F334-F375 AromaticContact CZ-CD1 3.4Å; F334-F375 HydrophobicContact CZ-CD1 3.4Å; F334-F375 VanDerWaalsContact CZ-CD1 3.4Å; F334-F375 AromaticContact CZ-CE1 3.61Å; F334-F375 HydrophobicContact CZ-CE1 3.61Å; F334-F375 HydrophobicContact CZ-CG 4.38Å
335K90.8Very high88.1Confident32 Ų3232.1 Ų32.114%0.13918%0.178CC..Hα-helixtrans-58.3-54.9169.5-79-167.2-179.9-164.40110.6N297 L300 D301 T331 P332 G337 K338N297-K335 PolarHBondContact O-NZ 3.37Å; N297-K335 WeakPolarHBondContact OD1-CE 3.27Å; L300-K335 HydrophobicContact CB-CD 4.15Å; L300-K335 HydrophobicContact CD1-CB 4.33Å; D301-K335 IonicContact OD1-NZ 2.9Å; D301-K335 WeakPolarHBondContact OD2-CE 3.47Å; D301-K335 IonicContact OD2-NZ 3.52Å; D301-K335 PolarHBondContact OD2-NZ 3.15Å; T331-K335 WeakPolarHBondContact O-CB 3.37Å; T331-K335 WeakPolarHBondContact O-CG 3.49Å; T331-K335 PolarHBondContact O-N 3.05Å; P332-K335 PolarHBondContact O-N 2.91Å; K335-G337 PolarHBondContact O-N 3.05Å; K335-K338 WeakPolarHBondContact O-CB 3.33Å; K335-K338 PolarHBondContact O-N 3.23Å; K335-K338 VanDerWaalsContact O-N 3.12Å
336V92.1Very high89.1Confident0 Ų034.9 Ų34.90%019%0.19CC..Hα-helixtrans-63.2-32.6178.3176.30000111.7L300 C308 V312 L313 L316 P332 K338 F339L300-V336 HydrophobicContact CD1-CG2 4.01Å; L300-V336 HydrophobicContact CD2-CG2 3.6Å; L300-V336 HydrophobicContact CG-CG2 4.47Å; C308-V336 HydrophobicContact CB-CG1 4.21Å; C308-V336 HydrophobicContact CB-CG2 4.22Å; C308-V336 WeakPolarHBondContact O-CG1 3.5Å; V312-V336 HydrophobicContact CG1-CG2 4.22Å; L313-V336 HydrophobicContact CB-CG1 3.87Å; L313-V336 HydrophobicContact CD1-CG1 4.35Å; L316-V336 HydrophobicContact CD1-CG2 4.28Å; P332-V336 WeakPolarHBondContact O-CB 3.36Å; P332-V336 WeakPolarHBondContact O-CG2 3.33Å; P332-V336 PolarHBondContact O-N 3.2Å; V336-K338 PolarHBondContact O-N 2.84Å; V336-F339 WeakPolarHBondContact O-CB 3.17Å; V336-F339 WeakPolarHBondContact O-CD2 3.47Å; V336-F339 PolarHBondContact O-N 2.85Å; V336-F339 VanDerWaalsContact O-N 3.14Å
337G90.5Very high89.8Confident0 Ų039.3 Ų39.30%020%0.204CC..Hα-helixtrans-59.2-27.5174.300000114.6L333 F334 K335 F339 L340 Y345 I349L333-G337 PolarHBondContact O-N 3.27Å; F334-G337 PolarHBondContact O-N 3.47Å; K335-G337 PolarHBondContact O-N 3.05Å; G337-F339 PolarHBondContact O-N 3.33Å; G337-L340 WeakPolarHBondContact O-CB 3.5Å; G337-L340 PolarHBondContact O-N 2.93Å; G337-L340 VanDerWaalsContact O-N 3.11Å; G337-Y345 WeakPolarHBondContact O-CD2 3.33Å; G337-I349 VanDerWaalsContact CA-CD1 3.48Å
338K89.8Confident90.2Very high151 Ų15141.8 Ų41.866%0.65721%0.213SC*.THydrogen-bonded Turntrans-63.2-25.2175.8-64.1176.8-177176.70113.3F334 K335 V336 L340F334-K338 PolarHBondContact O-N 2.95Å; K335-K338 WeakPolarHBondContact O-CB 3.33Å; K335-K338 PolarHBondContact O-N 3.23Å; K335-K338 VanDerWaalsContact O-N 3.12Å; V336-K338 PolarHBondContact O-N 2.84Å; K338-L340 VanDerWaalsContact C-N 3.34Å
339F88.8Confident90.6Very high57 Ų5740.2 Ų40.225%0.2520%0.204CC..THydrogen-bonded Turntrans-83-11.1177.9-53.4-53.5000113.1E305 C308 K309 V336 G337E305-F339 HydrophobicContact CG-CB 3.74Å; E305-F339 HydrophobicContact CG-CD1 3.7Å; E305-F339 HydrophobicContact CG-CE1 4.41Å; E305-F339 HydrophobicContact CG-CG 3.75Å; C308-F339 HydrophobicContact CB-CD2 3.8Å; C308-F339 HydrophobicContact CB-CE2 3.82Å; K309-F339 WeakPolarHBondContact CE-O 3.26Å; K309-F339 HydrophobicContact CG-CB 4.24Å; V336-F339 WeakPolarHBondContact O-CB 3.17Å; V336-F339 WeakPolarHBondContact O-CD2 3.47Å; V336-F339 PolarHBondContact O-N 2.85Å; V336-F339 VanDerWaalsContact O-N 3.14Å; G337-F339 PolarHBondContact O-N 3.33Å
340L91Very high90.8Very high11 Ų1140.7 Ų40.76%0.05821%0.206CC..SBendtrans-82.9144.5-179.1-63.2-176.5000111.6K309 L313 G337 K338 E344 K348 I349K309-L340 HydrophobicContact CG-CD2 4.27Å; L313-L340 HydrophobicContact CD2-CD1 3.86Å; L313-L340 HydrophobicContact CD2-CD2 3.99Å; L313-L340 HydrophobicContact CD2-CG 4.4Å; G337-L340 WeakPolarHBondContact O-CB 3.5Å; G337-L340 PolarHBondContact O-N 2.93Å; G337-L340 VanDerWaalsContact O-N 3.11Å; K338-L340 VanDerWaalsContact C-N 3.34Å; L340-E344 HydrophobicContact CB-CB 4.06Å; L340-E344 HydrophobicContact CD1-CB 4.43Å; L340-E344 HydrophobicContact CD2-CB 4.19Å; L340-E344 HydrophobicContact CG-CB 4.47Å; L340-K348 HydrophobicContact CD1-CD 4.38Å; L340-I349 HydrophobicContact CD1-CD1 3.59Å; L340-I349 HydrophobicContact CD1-CG1 3.93Å
341S91.3Very high91Very high56 Ų5644.2 Ų44.239%0.39223%0.229SC..  trans-61.3155162.163.20000110.7E343 E344 Y345S341-E343 PolarHBondContact O-N 3.44Å; S341-E344 WeakPolarHBondContact CB-OE2 3.36Å; S341-E344 PolarHBondContact N-OE2 3.41Å; S341-E344 PolarHBondContact O-N 2.84Å; S341-E344 VanDerWaalsContact O-N 3.07Å; S341-E344 WeakPolarHBondContact OG-CB 3.35Å; S341-E344 VanDerWaalsContact OG-CG 3.23Å; S341-E344 WeakPolarHBondContact OG-CG 3.34Å; S341-E344 PolarHBondContact OG-N 3.45Å; S341-E344 PolarHBondContact OG-OE2 3.01Å; S341-Y345 PolarHBondContact O-N 3.15Å
342A89.9Confident91.1Very high65 Ų6542.8 Ų42.854%0.53722%0.22SC..Hα-helixtrans-58.3-33.7-179.400000112.9Q346 Y378A342-Q346 WeakPolarHBondContact O-CB 3.38Å; A342-Q346 PolarHBondContact O-N 3.16Å; A342-Y378 HydrophobicContact CB-CE1 4.22Å
343E90.9Very high91.1Very high133 Ų13342.7 Ų42.762%0.62122%0.22SC*.Hα-helixtrans-66.5-46.6173.8-178.6176.8175.100111.9S341 Y345 Q346 Q347S341-E343 PolarHBondContact O-N 3.44Å; E343-Y345 VanDerWaalsContact C-N 3.34Å; E343-Y345 PolarHBondContact O-N 3.38Å; E343-Q346 WeakPolarHBondContact O-CB 3.47Å; E343-Q346 PolarHBondContact O-N 3.27Å; E343-Q347 VanDerWaalsContact CG-NE2 3.29Å; E343-Q347 WeakPolarHBondContact O-CG 3.49Å; E343-Q347 PolarHBondContact O-N 2.7Å; E343-Q347 PolarHBondContact OE1-NE2 2.86Å
344E91.6Very high91Very high49 Ų4943.7 Ų43.723%0.22923%0.226CC..Hα-helixtrans-65.8-36.2176.7-72.3173.9101.300112.6L340 S341 Q346 Q347 K348L340-E344 HydrophobicContact CB-CB 4.06Å; L340-E344 HydrophobicContact CD1-CB 4.43Å; L340-E344 HydrophobicContact CD2-CB 4.19Å; L340-E344 HydrophobicContact CG-CB 4.47Å; S341-E344 WeakPolarHBondContact CB-OE2 3.36Å; S341-E344 PolarHBondContact N-OE2 3.41Å; S341-E344 PolarHBondContact O-N 2.84Å; S341-E344 VanDerWaalsContact O-N 3.07Å; S341-E344 WeakPolarHBondContact OG-CB 3.35Å; S341-E344 VanDerWaalsContact OG-CG 3.23Å; S341-E344 WeakPolarHBondContact OG-CG 3.34Å; S341-E344 PolarHBondContact OG-N 3.45Å; S341-E344 PolarHBondContact OG-OE2 3.01Å; E344-Q346 VanDerWaalsContact C-N 3.31Å; E344-Q347 PolarHBondContact O-N 2.96Å; E344-K348 HydrophobicContact CB-CD 4.29Å; E344-K348 VanDerWaalsContact O-CB 3.22Å; E344-K348 WeakPolarHBondContact O-CB 3.47Å; E344-K348 VanDerWaalsContact O-CG 3.29Å; E344-K348 WeakPolarHBondContact O-CG 3.47Å; E344-K348 PolarHBondContact O-N 2.96Å; E344-K348 IonicContact OE1-NZ 3.63Å; E344-K348 PolarHBondContact OE1-NZ 3.26Å
345Y92.9Very high91Very high4 Ų447.7 Ų47.72%0.01624%0.243CC..Hα-helixtrans-60.8-44.5172.9-158.9-69.7000110.1G337 S341 E343 Q347 I349 I350 I353 F375 Y378G337-Y345 WeakPolarHBondContact O-CD2 3.33Å; S341-Y345 PolarHBondContact O-N 3.15Å; E343-Y345 VanDerWaalsContact C-N 3.34Å; E343-Y345 PolarHBondContact O-N 3.38Å; Y345-Q347 PolarHBondContact O-N 2.94Å; Y345-I349 HydrophobicContact CD1-CB 3.97Å; Y345-I349 HydrophobicContact CD1-CG2 4.22Å; Y345-I349 HydrophobicContact CD2-CD1 4.05Å; Y345-I349 HydrophobicContact CE1-CB 3.94Å; Y345-I349 HydrophobicContact CE1-CG2 3.66Å; Y345-I349 HydrophobicContact CE2-CD1 3.96Å; Y345-I349 HydrophobicContact CG-CB 4.37Å; Y345-I349 HydrophobicContact CG-CD1 4.44Å; Y345-I349 PolarHBondContact O-N 2.97Å; Y345-I350 HydrophobicContact CD1-CD1 3.82Å; Y345-I350 HydrophobicContact CD1-CG1 4.15Å; Y345-I350 HydrophobicContact CE1-CD1 3.67Å; Y345-I350 HydrophobicContact CE1-CG1 4.47Å; Y345-I350 PolarHBondContact O-N 2.82Å; Y345-I350 VanDerWaalsContact O-N 3.16Å; Y345-I353 HydrophobicContact CE1-CD1 4.43Å; Y345-F375 HydrophobicContact CE1-CB 4.42Å; Y345-F375 WeakPolarHBondContact OH-CB 3.3Å; Y345-Y378 HydrophobicContact CD1-CD1 4.07Å; Y345-Y378 AromaticContact CD1-CD2 3.68Å; Y345-Y378 HydrophobicContact CD1-CD2 3.68Å; Y345-Y378 HydrophobicContact CD1-CE2 4.23Å; Y345-Y378 AromaticContact CD1-CG 3.59Å; Y345-Y378 HydrophobicContact CD1-CG 3.59Å; Y345-Y378 HydrophobicContact CD2-CD2 4.25Å; Y345-Y378 HydrophobicContact CD2-CE1 4.41Å; Y345-Y378 AromaticContact CD2-CE2 3.96Å; Y345-Y378 HydrophobicContact CD2-CE2 3.96Å; Y345-Y378 AromaticContact CE1-CD2 3.47Å; Y345-Y378 HydrophobicContact CE1-CD2 3.47Å; Y345-Y378 VanDerWaalsContact CE1-CD2 3.47Å; Y345-Y378 HydrophobicContact CE1-CE2 4.06Å; Y345-Y378 AromaticContact CE1-CG 3.84Å; Y345-Y378 HydrophobicContact CE1-CG 3.84Å; Y345-Y378 HydrophobicContact CE2-CD2 4.06Å; Y345-Y378 AromaticContact CE2-CE2 3.77Å; Y345-Y378 HydrophobicContact CE2-CE2 3.77Å; Y345-Y378 HydrophobicContact CG-CD1 4.09Å; Y345-Y378 HydrophobicContact CG-CD2 4.08Å; Y345-Y378 HydrophobicContact CG-CE1 4.2Å; Y345-Y378 HydrophobicContact CG-CE2 4.2Å; Y345-Y378 HydrophobicContact CG-CG 4.04Å; Y345-Y378 AromaticContact CZ-CD2 3.67Å; Y345-Y378 AromaticContact CZ-CE2 3.82Å
346Q91.1Very high91Very high63 Ų6346.2 Ų46.229%0.29424%0.236SC..Hα-helixtrans-62-40.4176.7-154.268.122.100112.9A342 E343 E344 Y378A342-Q346 WeakPolarHBondContact O-CB 3.38Å; A342-Q346 PolarHBondContact O-N 3.16Å; E343-Q346 WeakPolarHBondContact O-CB 3.47Å; E343-Q346 PolarHBondContact O-N 3.27Å; E344-Q346 VanDerWaalsContact C-N 3.31Å; Q346-Y378 PolarHBondContact NE2-O 2.86Å; Q346-Y378 PolarHBondContact OE1-O 3.36Å
347Q91.5Very high91Very high120 Ų12046.6 Ų46.656%0.56124%0.238SC*.Hα-helixtrans-80.2-37.2-177.4-69.7174.111.700113.2E343 E344 Y345E343-Q347 VanDerWaalsContact CG-NE2 3.29Å; E343-Q347 WeakPolarHBondContact O-CG 3.49Å; E343-Q347 PolarHBondContact O-N 2.7Å; E343-Q347 PolarHBondContact OE1-NE2 2.86Å; E344-Q347 PolarHBondContact O-N 2.96Å; Y345-Q347 PolarHBondContact O-N 2.94Å
348K91.4Very high91Very high60 Ų6049.5 Ų49.526%0.26126%0.258SS..Hα-helixtrans-101.8-37-169.8-57.2174.4-168.4172.10113.9L313 L317 L340 E344L313-K348 HydrophobicContact CD2-CD 3.87Å; L317-K348 WeakPolarHBondContact CD2-O 3.34Å; L340-K348 HydrophobicContact CD1-CD 4.38Å; E344-K348 HydrophobicContact CB-CD 4.29Å; E344-K348 VanDerWaalsContact O-CB 3.22Å; E344-K348 WeakPolarHBondContact O-CB 3.47Å; E344-K348 VanDerWaalsContact O-CG 3.29Å; E344-K348 WeakPolarHBondContact O-CG 3.47Å; E344-K348 PolarHBondContact O-N 2.96Å; E344-K348 IonicContact OE1-NZ 3.63Å; E344-K348 PolarHBondContact OE1-NZ 3.26Å
349I92.1Very high90.9Very high0 Ų044.1 Ų44.10%024%0.24CC..THydrogen-bonded Turntrans-102.9-41.2-170.7-62.2-172.8000112.2L333 G337 L340 Y345 V352 I353L333-I349 HydrophobicContact CD1-CD1 4.19Å; L333-I349 HydrophobicContact CD1-CG1 4.18Å; L333-I349 HydrophobicContact CD2-CG2 4.43Å; L333-I349 HydrophobicContact CG-CD1 4.46Å; L333-I349 HydrophobicContact CG-CG2 4.42Å; G337-I349 VanDerWaalsContact CA-CD1 3.48Å; L340-I349 HydrophobicContact CD1-CD1 3.59Å; L340-I349 HydrophobicContact CD1-CG1 3.93Å; Y345-I349 HydrophobicContact CD1-CB 3.97Å; Y345-I349 HydrophobicContact CD1-CG2 4.22Å; Y345-I349 HydrophobicContact CD2-CD1 4.05Å; Y345-I349 HydrophobicContact CE1-CB 3.94Å; Y345-I349 HydrophobicContact CE1-CG2 3.66Å; Y345-I349 HydrophobicContact CE2-CD1 3.96Å; Y345-I349 HydrophobicContact CG-CB 4.37Å; Y345-I349 HydrophobicContact CG-CD1 4.44Å; Y345-I349 PolarHBondContact O-N 2.97Å; I349-V352 WeakPolarHBondContact O-CA 3.38Å; I349-V352 WeakPolarHBondContact O-CB 3.3Å; I349-V352 PolarHBondContact O-N 2.54Å; I349-I353 HydrophobicContact CG2-CD1 3.8Å; I349-I353 HydrophobicContact CG2-CG1 3.98Å; I349-I353 PolarHBondContact O-N 2.87Å
350I91.8Very high90.8Very high10 Ų1047.6 Ų47.65%0.05127%0.266CS..Hα-helixtrans-60.1-41-177.9-59.9-48.1000114.4Y345 V352 I353 V354 L379Y345-I350 HydrophobicContact CD1-CD1 3.82Å; Y345-I350 HydrophobicContact CD1-CG1 4.15Å; Y345-I350 HydrophobicContact CE1-CD1 3.67Å; Y345-I350 HydrophobicContact CE1-CG1 4.47Å; Y345-I350 PolarHBondContact O-N 2.82Å; Y345-I350 VanDerWaalsContact O-N 3.16Å; I350-V352 PolarHBondContact O-N 3.41Å; I350-I353 HydrophobicContact CD1-CD1 3.93Å; I350-I353 PolarHBondContact O-N 3.31Å; I350-V354 HydrophobicContact CG2-CG2 4.44Å; I350-V354 WeakPolarHBondContact O-CG2 3.44Å; I350-V354 PolarHBondContact O-N 2.86Å; I350-L379 HydrophobicContact CD1-CD2 4Å; I350-L379 HydrophobicContact CG2-CD2 4.22Å
351P90.9Very high90.7Very high74 Ų7450 Ų5048%0.48128%0.279SS..Hα-helixtrans-60.5-34.4174.7-24.235.4000112.7K355P351-K355 WeakPolarHBondContact O-CB 3.34Å; P351-K355 PolarHBondContact O-N 3.28Å; P351-K355 VanDerWaalsContact O-N 3.09Å
352V90.6Very high90.6Very high7 Ų753.3 Ų53.34%0.04228%0.283CS..Hα-helixtrans-69.8-46.7174.9162.20000111.3L317 F320 L333 I349 I350 V354 K355 M356L317-V352 HydrophobicContact CD2-CB 4.41Å; L317-V352 HydrophobicContact CD2-CG2 3.65Å; F320-V352 HydrophobicContact CD1-CB 4.15Å; F320-V352 HydrophobicContact CD1-CG1 3.55Å; F320-V352 HydrophobicContact CD1-CG2 3.82Å; F320-V352 HydrophobicContact CE1-CB 4.26Å; F320-V352 HydrophobicContact CE1-CG1 3.79Å; F320-V352 HydrophobicContact CE1-CG2 4.22Å; F320-V352 HydrophobicContact CG-CG1 4.11Å; L333-V352 HydrophobicContact CD2-CG1 3.76Å; I349-V352 WeakPolarHBondContact O-CA 3.38Å; I349-V352 WeakPolarHBondContact O-CB 3.3Å; I349-V352 PolarHBondContact O-N 2.54Å; I350-V352 PolarHBondContact O-N 3.41Å; V352-V354 VanDerWaalsContact C-N 3.31Å; V352-V354 PolarHBondContact O-N 3.47Å; V352-K355 CarbonylContact O-C 3.52Å; V352-K355 PolarHBondContact O-N 3.05Å; V352-M356 HydrophobicContact CG1-CE 3.53Å; V352-M356 HydrophobicContact CG1-CG 4.21Å; V352-M356 HydrophobicContact CG1-SD 3.66Å; V352-M356 WeakPolarHBondContact O-CB 3.22Å; V352-M356 WeakPolarHBondContact O-CG 3.49Å; V352-M356 PolarHBondContact O-N 3.46Å
353I91.2Very high90.5Very high0 Ų052.6 Ų52.60%028%0.277CS..Hα-helixtrans-57.5-44.2176-65.7178.9000111.3F334 Y345 I349 I350 M356 F357 F375F334-I353 HydrophobicContact CE1-CD1 3.71Å; F334-I353 HydrophobicContact CE1-CG1 4.01Å; F334-I353 HydrophobicContact CZ-CD1 4.31Å; F334-I353 HydrophobicContact CZ-CG1 4.44Å; Y345-I353 HydrophobicContact CE1-CD1 4.43Å; I349-I353 HydrophobicContact CG2-CD1 3.8Å; I349-I353 HydrophobicContact CG2-CG1 3.98Å; I349-I353 PolarHBondContact O-N 2.87Å; I350-I353 HydrophobicContact CD1-CD1 3.93Å; I350-I353 PolarHBondContact O-N 3.31Å; I353-M356 WeakPolarHBondContact O-CB 3.29Å; I353-M356 PolarHBondContact O-N 3.38Å; I353-F357 HydrophobicContact CG2-CD2 3.79Å; I353-F357 HydrophobicContact CG2-CE2 3.66Å; I353-F357 WeakPolarHBondContact O-CD2 3.17Å; I353-F357 PolarHBondContact O-N 3.2Å; I353-F375 HydrophobicContact CD1-CB 3.62Å; I353-F375 HydrophobicContact CD1-CD1 4.17Å; I353-F375 HydrophobicContact CD1-CD2 3.86Å; I353-F375 HydrophobicContact CD1-CG 3.64Å; I353-F375 HydrophobicContact CG2-CD2 4.09Å; I353-F375 HydrophobicContact CG2-CE2 3.87Å; I353-F375 HydrophobicContact CG2-CZ 4.32Å
354V91.6Very high90.5Very high22 Ų2246.6 Ų46.613%0.13325%0.249CC..Hα-helixtrans-59.9-48.8176.3167.30000111.2I350 V352 M356 F357 S358 A383 Q387 I388I350-V354 HydrophobicContact CG2-CG2 4.44Å; I350-V354 WeakPolarHBondContact O-CG2 3.44Å; I350-V354 PolarHBondContact O-N 2.86Å; V352-V354 VanDerWaalsContact C-N 3.31Å; V352-V354 PolarHBondContact O-N 3.47Å; V354-M356 VanDerWaalsContact C-N 3.28Å; V354-M356 PolarHBondContact O-N 3.07Å; V354-F357 PolarHBondContact O-N 2.88Å; V354-S358 PolarHBondContact O-N 3.41Å; V354-S358 VanDerWaalsContact O-N 3.13Å; V354-A383 HydrophobicContact CG2-CB 4.48Å; V354-Q387 HydrophobicContact CG1-CB 3.82Å; V354-Q387 HydrophobicContact CG1-CG 4.32Å; V354-I388 HydrophobicContact CG2-CD1 4.14Å; V354-I388 HydrophobicContact CG2-CG1 4.16Å
355K89.9Confident90.4Very high87 Ų8745.7 Ų45.738%0.37824%0.244SC..Hα-helixtrans-62.8-33.8176.5-178.2174.9161.4-173.40112F320 P351 V352 S358F320-K355 HydrophobicContact CE1-CB 3.9Å; F320-K355 HydrophobicContact CE1-CD 3.67Å; F320-K355 HydrophobicContact CE1-CG 3.71Å; F320-K355 HydrophobicContact CZ-CB 4.11Å; F320-K355 HydrophobicContact CZ-CD 4.18Å; F320-K355 HydrophobicContact CZ-CG 3.79Å; P351-K355 WeakPolarHBondContact O-CB 3.34Å; P351-K355 PolarHBondContact O-N 3.28Å; P351-K355 VanDerWaalsContact O-N 3.09Å; V352-K355 CarbonylContact O-C 3.52Å; V352-K355 PolarHBondContact O-N 3.05Å; K355-S358 PolarHBondContact O-N 3.35Å; K355-S358 PolarHBondContact O-OG 3.49Å
356M90.1Very high90.4Very high1 Ų147.1 Ų47.11%0.00525%0.251CS..Hα-helixtrans-66.4-40.8173.3-70.5169.4160.600112.2F320 I329 L330 L333 V352 I353 V354 S358 S359 M364 L368F320-M356 HydrophobicContact CD1-CE 4.4Å; F320-M356 HydrophobicContact CD2-CE 3.58Å; F320-M356 HydrophobicContact CD2-CG 4.08Å; F320-M356 HydrophobicContact CE1-CG 3.98Å; F320-M356 HydrophobicContact CE2-CB 4.45Å; F320-M356 HydrophobicContact CE2-CE 3.86Å; F320-M356 HydrophobicContact CE2-CG 3.34Å; F320-M356 HydrophobicContact CE2-SD 4.47Å; F320-M356 HydrophobicContact CG-CE 3.88Å; F320-M356 HydrophobicContact CZ-CB 4.21Å; F320-M356 HydrophobicContact CZ-CE 4.37Å; F320-M356 HydrophobicContact CZ-CG 3.28Å; I329-M356 HydrophobicContact CD1-CE 3.9Å; I329-M356 HydrophobicContact CG1-CE 4.32Å; L330-M356 HydrophobicContact CD2-CE 3.98Å; L330-M356 HydrophobicContact CD2-SD 3.46Å; L330-M356 WeakPolarHBondContact CD2-SD 3.17Å; L330-M356 HydrophobicContact CG-CE 4.29Å; L330-M356 HydrophobicContact CG-SD 4.27Å; L333-M356 HydrophobicContact CD2-CE 4.03Å; V352-M356 HydrophobicContact CG1-CE 3.53Å; V352-M356 HydrophobicContact CG1-CG 4.21Å; V352-M356 HydrophobicContact CG1-SD 3.66Å; V352-M356 WeakPolarHBondContact O-CB 3.22Å; V352-M356 WeakPolarHBondContact O-CG 3.49Å; V352-M356 PolarHBondContact O-N 3.46Å; I353-M356 WeakPolarHBondContact O-CB 3.29Å; I353-M356 PolarHBondContact O-N 3.38Å; V354-M356 VanDerWaalsContact C-N 3.28Å; V354-M356 PolarHBondContact O-N 3.07Å; M356-S358 VanDerWaalsContact C-N 3.29Å; M356-S358 PolarHBondContact O-N 2.99Å; M356-S359 WeakPolarHBondContact O-CB 3.07Å; M356-S359 PolarHBondContact O-N 3.23Å; M356-S359 VanDerWaalsContact O-N 3.11Å; M356-M364 HydrophobicContact CB-CG 4.26Å; M356-M364 HydrophobicContact CB-SD 3.7Å; M356-M364 HydrophobicContact CG-CE 4.19Å; M356-M364 HydrophobicContact CG-SD 3.84Å; M356-L368 HydrophobicContact CB-CD1 3.93Å; M356-L368 HydrophobicContact CB-CD2 4.1Å; M356-L368 HydrophobicContact SD-CD2 4.44Å
357F91.1Very high90.3Very high8 Ų848 Ų484%0.03525%0.252CS..Hα-helixtrans-64-33173.7-86.4-71.3000112.8I353 V354 S359 L368 M372 F375 I388 H391 V392I353-F357 HydrophobicContact CG2-CD2 3.79Å; I353-F357 HydrophobicContact CG2-CE2 3.66Å; I353-F357 WeakPolarHBondContact O-CD2 3.17Å; I353-F357 PolarHBondContact O-N 3.2Å; V354-F357 PolarHBondContact O-N 2.88Å; F357-S359 PolarHBondContact O-N 3.41Å; F357-L368 HydrophobicContact CD1-CD1 3.87Å; F357-L368 HydrophobicContact CD2-CD1 4.17Å; F357-L368 HydrophobicContact CE1-CB 3.83Å; F357-L368 HydrophobicContact CE1-CD1 3.98Å; F357-L368 HydrophobicContact CE1-CG 4.49Å; F357-L368 HydrophobicContact CE2-CB 4.32Å; F357-L368 HydrophobicContact CE2-CD1 4.28Å; F357-L368 HydrophobicContact CE2-CD2 4.21Å; F357-L368 HydrophobicContact CG-CD1 3.95Å; F357-L368 HydrophobicContact CZ-CB 3.7Å; F357-L368 HydrophobicContact CZ-CD1 4.18Å; F357-L368 HydrophobicContact CZ-CD2 4.43Å; F357-L368 HydrophobicContact CZ-CG 4.34Å; F357-M372 HydrophobicContact CE1-CE 4.27Å; F357-M372 HydrophobicContact CZ-CE 3.62Å; F357-F375 AromaticContact CE2-CE2 3.86Å; F357-F375 HydrophobicContact CE2-CE2 3.86Å; F357-F375 AromaticContact CE2-CZ 3.92Å; F357-F375 HydrophobicContact CE2-CZ 3.92Å; F357-F375 HydrophobicContact CZ-CE2 4.22Å; F357-F375 HydrophobicContact CZ-CZ 4Å; F357-I388 HydrophobicContact CD1-CG2 4.09Å; F357-I388 HydrophobicContact CD2-CB 4.45Å; F357-I388 HydrophobicContact CD2-CD1 4.23Å; F357-I388 HydrophobicContact CD2-CG1 4.01Å; F357-I388 HydrophobicContact CD2-CG2 3.78Å; F357-I388 HydrophobicContact CE1-CG2 4.21Å; F357-I388 HydrophobicContact CE2-CD1 4.47Å; F357-I388 HydrophobicContact CE2-CG2 3.91Å; F357-I388 HydrophobicContact CG-CG1 4.43Å; F357-I388 HydrophobicContact CG-CG2 3.89Å; F357-I388 HydrophobicContact CZ-CG2 4.13Å; F357-H391 HydrophobicContact CB-CB 4.37Å; F357-H391 WeakPolarHBondContact O-CB 3.38Å; F357-V392 HydrophobicContact CD1-CG2 3.87Å; F357-V392 HydrophobicContact CE1-CG2 3.71Å
358S90.9Very high90.4Very high61 Ų6142.3 Ų42.343%0.42723%0.225SC..THydrogen-bonded Turntrans-68.7-7174.4780000114.6V354 K355 M356 H391V354-S358 PolarHBondContact O-N 3.41Å; V354-S358 VanDerWaalsContact O-N 3.13Å; K355-S358 PolarHBondContact O-N 3.35Å; K355-S358 PolarHBondContact O-OG 3.49Å; M356-S358 VanDerWaalsContact C-N 3.29Å; M356-S358 PolarHBondContact O-N 2.99Å; S358-H391 VanDerWaalsContact CA-CD2 3.47Å; S358-H391 WeakPolarHBondContact CA-CD2 3.48Å; S358-H391 WeakPolarHBondContact CA-NE2 3.36Å; S358-H391 WeakPolarHBondContact CB-NE2 3.18Å
359S88Confident90.5Very high39 Ų3939.7 Ų39.727%0.27321%0.214SC..  trans-70.2135.5175.7-170.20000112.5M356 F357 D361 R365M356-S359 WeakPolarHBondContact O-CB 3.07Å; M356-S359 PolarHBondContact O-N 3.23Å; M356-S359 VanDerWaalsContact O-N 3.11Å; F357-S359 PolarHBondContact O-N 3.41Å; S359-D361 PolarHBondContact O-N 3.13Å; S359-D361 WeakPolarHBondContact OG-CB 3.47Å; S359-D361 PolarHBondContact OG-N 3.15Å; S359-R365 PolarHBondContact O-NH2 2.78Å; S359-R365 VanDerWaalsContact O-NH2 3.14Å
360T87.6Confident90.5Very high130 Ų13043.5 Ų43.580%0.79823%0.232SC*.  trans-73.6-14.1170.851.90000112.7R362 R365T360-R362 PolarHBondContact O-N 3.07Å; T360-R365 PolarHBondContact O-NH2 3.3Å
361D88Confident90.4Very high60 Ų6044.2 Ų44.232%0.32124%0.235SC..  trans-60.4123.6179.5175.230000112.9S359 A363 M364 R365S359-D361 PolarHBondContact O-N 3.13Å; S359-D361 WeakPolarHBondContact OG-CB 3.47Å; S359-D361 PolarHBondContact OG-N 3.15Å; D361-A363 PolarHBondContact OD1-N 3.32Å; D361-M364 HydrophobicContact CB-CB 4.06Å; D361-M364 VanDerWaalsContact OD2-CB 3.24Å; D361-M364 WeakPolarHBondContact OD2-CB 3.22Å; D361-M364 PolarHBondContact OD2-N 2.71Å; D361-R365 WeakPolarHBondContact O-CB 3.46Å; D361-R365 PolarHBondContact O-N 3.27Å
362R89.7Confident90.4Very high126 Ų12640.8 Ų40.848%0.47521%0.213SC..Hα-helixtrans-65.8-35.5175.7-76.4-174.2174.7113.4-3.3112.8T360 R365 I366 D398 T399 I403T360-R362 PolarHBondContact O-N 3.07Å; R362-R365 PolarHBondContact O-N 3.1Å; R362-I366 WeakPolarHBondContact O-CG2 3.45Å; R362-I366 PolarHBondContact O-N 3.39Å; R362-D398 IonicContact CZ-OD1 2.82Å; R362-D398 IonicContact NE-OD1 2.66Å; R362-D398 PolarHBondContact NE-OD1 2.97Å; R362-D398 IonicContact NE-OD2 3.58Å; R362-D398 PolarHBondContact NE-OD2 2.98Å; R362-D398 VanDerWaalsContact NE-OD2 3.09Å; R362-D398 IonicContact NH2-OD1 3.49Å; R362-T399 PolarHBondContact NH2-OG1 2.79Å; R362-I403 HydrophobicContact CB-CD1 3.65Å; R362-I403 HydrophobicContact CG-CD1 3.71Å
363A88.4Confident90.4Very high51 Ų5146.3 Ų46.342%0.42124%0.238SC..Hα-helixtrans-72.7-40.6-178.300000111.8D361 I366 R367D361-A363 PolarHBondContact OD1-N 3.32Å; A363-I366 WeakPolarHBondContact O-CG2 3.43Å; A363-R367 WeakPolarHBondContact O-CB 3.34Å; A363-R367 PolarHBondContact O-N 2.91Å
364M89.2Confident90.3Very high7 Ų750.3 Ų50.33%0.03426%0.257CS..Hα-helixtrans-62.5-48.1168.4-177.2161.3-75.400111.5F320 G326 A327 M356 D361 I366 R367 L368F320-M364 HydrophobicContact CD2-CE 4.48Å; F320-M364 HydrophobicContact CE2-CE 4.03Å; F320-M364 HydrophobicContact CE2-SD 4.33Å; G326-M364 VanDerWaalsContact C-CE 3.46Å; G326-M364 WeakPolarHBondContact O-CE 3.49Å; A327-M364 HydrophobicContact CB-CB 4.45Å; M356-M364 HydrophobicContact CB-CG 4.26Å; M356-M364 HydrophobicContact CB-SD 3.7Å; M356-M364 HydrophobicContact CG-CE 4.19Å; M356-M364 HydrophobicContact CG-SD 3.84Å; D361-M364 HydrophobicContact CB-CB 4.06Å; D361-M364 VanDerWaalsContact OD2-CB 3.24Å; D361-M364 WeakPolarHBondContact OD2-CB 3.22Å; D361-M364 PolarHBondContact OD2-N 2.71Å; M364-I366 PolarHBondContact O-N 3.09Å; M364-R367 PolarHBondContact O-N 2.71Å; M364-L368 HydrophobicContact CG-CD1 3.91Å; M364-L368 HydrophobicContact CG-CG 4.33Å; M364-L368 VanDerWaalsContact O-CG 3.3Å; M364-L368 WeakPolarHBondContact O-CG 3.46Å; M364-L368 PolarHBondContact O-N 3.42Å
365R91.2Very high90.3Very high29 Ų2949.3 Ų49.311%0.10925%0.25CS..Hα-helixtrans-56.7-50.1179.8-171.5179.3-56110.824.5112.8S359 T360 D361 R362 R367 L368 L369 D398S359-R365 PolarHBondContact O-NH2 2.78Å; S359-R365 VanDerWaalsContact O-NH2 3.14Å; T360-R365 PolarHBondContact O-NH2 3.3Å; D361-R365 WeakPolarHBondContact O-CB 3.46Å; D361-R365 PolarHBondContact O-N 3.27Å; R362-R365 PolarHBondContact O-N 3.1Å; R365-R367 VanDerWaalsContact C-N 3.35Å; R365-R367 PolarHBondContact O-N 3.18Å; R365-L368 PolarHBondContact O-N 3.31Å; R365-L369 HydrophobicContact CG-CD1 4.09Å; R365-L369 VanDerWaalsContact O-CG 3.28Å; R365-L369 WeakPolarHBondContact O-CG 3.47Å; R365-L369 PolarHBondContact O-N 2.84Å; R365-L369 VanDerWaalsContact O-N 3.14Å; R365-D398 IonicContact NH1-OD2 2.72Å; R365-D398 PolarHBondContact NH1-OD2 2.84Å
366I91.6Very high90.4Very high35 Ų3546.2 Ų46.218%0.17924%0.238CC..Hα-helixtrans-65.6-38.3-178.7-162.2170000112R362 A363 M364 L369 Q370 A402 I403 Q406R362-I366 WeakPolarHBondContact O-CG2 3.45Å; R362-I366 PolarHBondContact O-N 3.39Å; A363-I366 WeakPolarHBondContact O-CG2 3.43Å; M364-I366 PolarHBondContact O-N 3.09Å; I366-L369 PolarHBondContact O-N 2.95Å; I366-Q370 HydrophobicContact CG1-CG 4.47Å; I366-Q370 WeakPolarHBondContact O-CB 3.36Å; I366-Q370 VanDerWaalsContact O-CG 3.27Å; I366-Q370 WeakPolarHBondContact O-CG 3.33Å; I366-Q370 PolarHBondContact O-N 3.01Å; I366-Q370 PolarHBondContact O-OE1 3.04Å; I366-A402 HydrophobicContact CD1-CB 3.88Å; I366-I403 HydrophobicContact CB-CG1 4.22Å; I366-I403 HydrophobicContact CD1-CG1 4.15Å; I366-I403 HydrophobicContact CG1-CG1 4.45Å; I366-Q406 HydrophobicContact CD1-CG 4.43Å; I366-Q406 HydrophobicContact CG1-CB 4.43Å; I366-Q406 HydrophobicContact CG1-CG 4.16Å
367R90.3Very high90.4Very high82 Ų8252.7 Ų52.731%0.30927%0.268SS..Hα-helixtrans-68.1-40179.3-166.3174.5-61.3-162.8-6.2112.3A327 L330 A363 M364 R365 L369 Q370 Q371A327-R367 WeakPolarHBondContact O-CD 3.49Å; A327-R367 PolarHBondContact O-NH1 2.91Å; L330-R367 HydrophobicContact CB-CG 4.44Å; L330-R367 HydrophobicContact CD1-CB 3.93Å; L330-R367 HydrophobicContact CD1-CG 3.87Å; A363-R367 WeakPolarHBondContact O-CB 3.34Å; A363-R367 PolarHBondContact O-N 2.91Å; M364-R367 PolarHBondContact O-N 2.71Å; R365-R367 VanDerWaalsContact C-N 3.35Å; R365-R367 PolarHBondContact O-N 3.18Å; R367-L369 PolarHBondContact O-N 2.82Å; R367-Q370 PolarHBondContact O-N 3.05Å; R367-Q371 WeakPolarHBondContact O-CB 3.07Å; R367-Q371 WeakPolarHBondContact O-CG 3.22Å; R367-Q371 PolarHBondContact O-N 3.34Å
368L92.8Very high90.4Very high0 Ų054.7 Ų54.70%028%0.276CS..Hα-helixtrans-59.9-42.7172.3-72.6168000112.4L330 M356 F357 M364 R365 Q371 M372 F375L330-L368 HydrophobicContact CD1-CD2 4.3Å; L330-L368 HydrophobicContact CD1-CG 4.29Å; L330-L368 HydrophobicContact CD2-CD2 3.74Å; M356-L368 HydrophobicContact CB-CD1 3.93Å; M356-L368 HydrophobicContact CB-CD2 4.1Å; M356-L368 HydrophobicContact SD-CD2 4.44Å; F357-L368 HydrophobicContact CD1-CD1 3.87Å; F357-L368 HydrophobicContact CD2-CD1 4.17Å; F357-L368 HydrophobicContact CE1-CB 3.83Å; F357-L368 HydrophobicContact CE1-CD1 3.98Å; F357-L368 HydrophobicContact CE1-CG 4.49Å; F357-L368 HydrophobicContact CE2-CB 4.32Å; F357-L368 HydrophobicContact CE2-CD1 4.28Å; F357-L368 HydrophobicContact CE2-CD2 4.21Å; F357-L368 HydrophobicContact CG-CD1 3.95Å; F357-L368 HydrophobicContact CZ-CB 3.7Å; F357-L368 HydrophobicContact CZ-CD1 4.18Å; F357-L368 HydrophobicContact CZ-CD2 4.43Å; F357-L368 HydrophobicContact CZ-CG 4.34Å; M364-L368 HydrophobicContact CG-CD1 3.91Å; M364-L368 HydrophobicContact CG-CG 4.33Å; M364-L368 VanDerWaalsContact O-CG 3.3Å; M364-L368 WeakPolarHBondContact O-CG 3.46Å; M364-L368 PolarHBondContact O-N 3.42Å; R365-L368 PolarHBondContact O-N 3.31Å; L368-Q371 PolarHBondContact O-N 3.38Å; L368-M372 PolarHBondContact O-N 3.29Å; L368-M372 VanDerWaalsContact O-N 3.09Å; L368-F375 HydrophobicContact CD2-CZ 4.41Å; L368-F375 WeakPolarHBondContact O-CZ 3.43Å
369L93.3Very high90.4Very high5 Ų551.9 Ų51.93%0.02626%0.256CS..Hα-helixtrans-67.7-41.4178.9-68.1168.1000111.8R365 I366 R367 M372 V392 Q406 T407 S410R365-L369 HydrophobicContact CG-CD1 4.09Å; R365-L369 VanDerWaalsContact O-CG 3.28Å; R365-L369 WeakPolarHBondContact O-CG 3.47Å; R365-L369 PolarHBondContact O-N 2.84Å; R365-L369 VanDerWaalsContact O-N 3.14Å; I366-L369 PolarHBondContact O-N 2.95Å; R367-L369 PolarHBondContact O-N 2.82Å; L369-M372 HydrophobicContact CD2-CE 4.18Å; L369-M372 WeakPolarHBondContact O-CB 3.5Å; L369-V392 HydrophobicContact CD2-CG1 4.11Å; L369-V392 HydrophobicContact CD2-CG2 4.46Å; L369-Q406 HydrophobicContact CB-CB 4.2Å; L369-T407 WeakPolarHBondContact CD1-OG1 3.43Å; L369-S410 WeakPolarHBondContact CB-OG 3.29Å; L369-S410 WeakPolarHBondContact CD2-OG 3.5Å; L369-S410 PolarHBondContact O-OG 2.9Å; L369-S410 VanDerWaalsContact O-OG 3.07Å
370Q91.7Very high90.6Very high80 Ų8053.7 Ų53.737%0.37426%0.263SS..Hα-helixtrans-65.8-34.2175.1-73.6171.4-39.800113.2I366 R367 Q406I366-Q370 HydrophobicContact CG1-CG 4.47Å; I366-Q370 WeakPolarHBondContact O-CB 3.36Å; I366-Q370 VanDerWaalsContact O-CG 3.27Å; I366-Q370 WeakPolarHBondContact O-CG 3.33Å; I366-Q370 PolarHBondContact O-N 3.01Å; I366-Q370 PolarHBondContact O-OE1 3.04Å; R367-Q370 PolarHBondContact O-N 3.05Å; Q370-Q406 HydrophobicContact CG-CG 4.15Å
371Q90.6Very high90.9Very high25 Ų2553.5 Ų53.512%0.11725%0.253CS..THydrogen-bonded Turntrans-97.67.7-178-66.3-179.5-3900113.7T331 F334 R367 L368 E373 Q374 F375T331-Q371 PolarHBondContact OG1-NE2 3.46Å; F334-Q371 HydrophobicContact CD2-CB 4.09Å; F334-Q371 HydrophobicContact CE2-CB 3.78Å; R367-Q371 WeakPolarHBondContact O-CB 3.07Å; R367-Q371 WeakPolarHBondContact O-CG 3.22Å; R367-Q371 PolarHBondContact O-N 3.34Å; L368-Q371 PolarHBondContact O-N 3.38Å; Q371-E373 PolarHBondContact O-N 3.03Å; Q371-E373 VanDerWaalsContact O-N 3.12Å; Q371-Q374 WeakPolarHBondContact O-CB 3.24Å; Q371-Q374 PolarHBondContact O-N 3.37Å; Q371-F375 HydrophobicContact CB-CE1 4.47Å; Q371-F375 WeakPolarHBondContact O-CD1 3.39Å; Q371-F375 WeakPolarHBondContact O-CE1 3.45Å
372M90.9Very high91.2Very high1 Ų153.8 Ų53.81%0.00526%0.263CS..G310 helixtrans-49.2-40.5-177.4-174.9706600113.5F357 L368 L369 Q374 F375 I376 L379 L413 L414F357-M372 HydrophobicContact CE1-CE 4.27Å; F357-M372 HydrophobicContact CZ-CE 3.62Å; L368-M372 PolarHBondContact O-N 3.29Å; L368-M372 VanDerWaalsContact O-N 3.09Å; L369-M372 HydrophobicContact CD2-CE 4.18Å; L369-M372 WeakPolarHBondContact O-CB 3.5Å; M372-Q374 PolarHBondContact O-N 3.24Å; M372-Q374 VanDerWaalsContact O-N 3.17Å; M372-F375 HydrophobicContact CB-CZ 4.43Å; M372-F375 HydrophobicContact CE-CE2 4.37Å; M372-F375 HydrophobicContact CE-CZ 4.33Å; M372-F375 PolarHBondContact O-N 3.19Å; M372-F375 HydrophobicContact SD-CD2 4.38Å; M372-F375 HydrophobicContact SD-CE2 3.54Å; M372-F375 VanDerWaalsContact SD-CE2 3.54Å; M372-F375 HydrophobicContact SD-CZ 3.89Å; M372-I376 HydrophobicContact CG-CB 4.34Å; M372-I376 VanDerWaalsContact O-CB 3.3Å; M372-I376 WeakPolarHBondContact O-CB 3.07Å; M372-I376 WeakPolarHBondContact O-CG2 3.48Å; M372-I376 PolarHBondContact O-N 3.48Å; M372-I376 HydrophobicContact SD-CD1 4.17Å; M372-L379 HydrophobicContact SD-CD1 4.45Å; M372-L413 HydrophobicContact CB-CD1 3.85Å; M372-L413 HydrophobicContact CG-CB 4.16Å; M372-L413 HydrophobicContact CG-CD1 3.7Å; M372-L414 HydrophobicContact CE-CD1 3.84Å; M372-L414 HydrophobicContact CE-CD2 4.43Å; M372-L414 HydrophobicContact CE-CG 4.28Å; M372-L414 HydrophobicContact SD-CD1 4.48Å; M372-L414 HydrophobicContact SD-CD2 4.15Å; M372-L414 HydrophobicContact SD-CG 4.28Å
373E90.9Very high91.3Very high124 Ų12448.2 Ų48.258%0.57924%0.244SC*.G310 helixtrans-58-28.4178.9-63.5-175.517000113.3Q371 F375 L413Q371-E373 PolarHBondContact O-N 3.03Å; Q371-E373 VanDerWaalsContact O-N 3.12Å; E373-F375 VanDerWaalsContact C-N 3.32Å; E373-F375 PolarHBondContact O-N 3.01Å; E373-L413 HydrophobicContact CG-CD1 3.46Å; E373-L413 VanDerWaalsContact CG-CD1 3.46Å; E373-L413 HydrophobicContact CG-CD2 4.15Å; E373-L413 HydrophobicContact CG-CG 4.46Å
374Q89Confident91.7Very high84 Ų8445.8 Ų45.839%0.39322%0.224SC..G310 helixtrans-75.6-19.2-177.6-54.3-172.916.400113.3F334 Q371 M372F334-Q374 VanDerWaalsContact CB-OE1 3.26Å; Q371-Q374 WeakPolarHBondContact O-CB 3.24Å; Q371-Q374 PolarHBondContact O-N 3.37Å; M372-Q374 PolarHBondContact O-N 3.24Å; M372-Q374 VanDerWaalsContact O-N 3.17Å
375F90.9Very high92.1Very high0 Ų046.4 Ų46.40%023%0.228CC..THydrogen-bonded Turntrans-132.1-13.8-173.861-101.3000115.5F334 Y345 I353 F357 L368 Q371 M372 E373 Q377 Y378 L379F334-F375 AromaticContact CE1-CD1 3.84Å; F334-F375 HydrophobicContact CE1-CD1 3.84Å; F334-F375 HydrophobicContact CE1-CE1 4.44Å; F334-F375 HydrophobicContact CE1-CG 4.46Å; F334-F375 AromaticContact CE2-CD1 3.81Å; F334-F375 HydrophobicContact CE2-CD1 3.81Å; F334-F375 AromaticContact CE2-CE1 3.91Å; F334-F375 HydrophobicContact CE2-CE1 3.91Å; F334-F375 AromaticContact CZ-CD1 3.4Å; F334-F375 HydrophobicContact CZ-CD1 3.4Å; F334-F375 VanDerWaalsContact CZ-CD1 3.4Å; F334-F375 AromaticContact CZ-CE1 3.61Å; F334-F375 HydrophobicContact CZ-CE1 3.61Å; F334-F375 HydrophobicContact CZ-CG 4.38Å; Y345-F375 HydrophobicContact CE1-CB 4.42Å; Y345-F375 WeakPolarHBondContact OH-CB 3.3Å; I353-F375 HydrophobicContact CD1-CB 3.62Å; I353-F375 HydrophobicContact CD1-CD1 4.17Å; I353-F375 HydrophobicContact CD1-CD2 3.86Å; I353-F375 HydrophobicContact CD1-CG 3.64Å; I353-F375 HydrophobicContact CG2-CD2 4.09Å; I353-F375 HydrophobicContact CG2-CE2 3.87Å; I353-F375 HydrophobicContact CG2-CZ 4.32Å; F357-F375 AromaticContact CE2-CE2 3.86Å; F357-F375 HydrophobicContact CE2-CE2 3.86Å; F357-F375 AromaticContact CE2-CZ 3.92Å; F357-F375 HydrophobicContact CE2-CZ 3.92Å; F357-F375 HydrophobicContact CZ-CE2 4.22Å; F357-F375 HydrophobicContact CZ-CZ 4Å; L368-F375 HydrophobicContact CD2-CZ 4.41Å; L368-F375 WeakPolarHBondContact O-CZ 3.43Å; Q371-F375 HydrophobicContact CB-CE1 4.47Å; Q371-F375 WeakPolarHBondContact O-CD1 3.39Å; Q371-F375 WeakPolarHBondContact O-CE1 3.45Å; M372-F375 HydrophobicContact CB-CZ 4.43Å; M372-F375 HydrophobicContact CE-CE2 4.37Å; M372-F375 HydrophobicContact CE-CZ 4.33Å; M372-F375 PolarHBondContact O-N 3.19Å; M372-F375 HydrophobicContact SD-CD2 4.38Å; M372-F375 HydrophobicContact SD-CE2 3.54Å; M372-F375 VanDerWaalsContact SD-CE2 3.54Å; M372-F375 HydrophobicContact SD-CZ 3.89Å; E373-F375 VanDerWaalsContact C-N 3.32Å; E373-F375 PolarHBondContact O-N 3.01Å; F375-Q377 PolarHBondContact O-N 3.42Å; F375-Q377 VanDerWaalsContact O-N 3.09Å; F375-Y378 PolarHBondContact O-N 2.93Å; F375-L379 HydrophobicContact CD2-CD1 3.81Å; F375-L379 HydrophobicContact CD2-CG 4.11Å; F375-L379 HydrophobicContact CE2-CD1 3.89Å; F375-L379 PolarHBondContact O-N 3.38Å
376I91.4Very high92.2Very high22 Ų2248.6 Ų48.611%0.11325%0.247CC..G310 helixtrans-54-32.6-177.4-173.461.4000113.8M372 Y378 L379 L413 L414 K417M372-I376 HydrophobicContact CG-CB 4.34Å; M372-I376 VanDerWaalsContact O-CB 3.3Å; M372-I376 WeakPolarHBondContact O-CB 3.07Å; M372-I376 WeakPolarHBondContact O-CG2 3.48Å; M372-I376 PolarHBondContact O-N 3.48Å; M372-I376 HydrophobicContact SD-CD1 4.17Å; I376-Y378 VanDerWaalsContact C-N 3.29Å; I376-Y378 PolarHBondContact O-N 2.89Å; I376-L379 HydrophobicContact CD1-CD1 4.09Å; I376-L379 PolarHBondContact O-N 2.95Å; I376-L413 HydrophobicContact CG1-CB 4.25Å; I376-L414 HydrophobicContact CD1-CD2 3.8Å; I376-L414 HydrophobicContact CD1-CG 4.44Å; I376-K417 HydrophobicContact CD1-CD 3.85Å; I376-K417 HydrophobicContact CG1-CD 4.38Å; I376-K417 WeakPolarHBondContact O-CE 3.47Å; I376-K417 PolarHBondContact O-NZ 2.6Å
377Q90.9Very high92.4Very high137 Ų13751.3 Ų51.364%0.6426%0.259SS*.G310 helixtrans-64.3-31.6179.167.4-176.87.300113.5F375F375-Q377 PolarHBondContact O-N 3.42Å; F375-Q377 VanDerWaalsContact O-N 3.09Å
378Y90.8Very high92.6Very high51 Ų5147.4 Ų47.420%0.225%0.245CC..G310 helixtrans-87-12.2178.5-52.1-77.7000112.9A342 Y345 Q346 F375 I376 N380A342-Y378 HydrophobicContact CB-CE1 4.22Å; Y345-Y378 HydrophobicContact CD1-CD1 4.07Å; Y345-Y378 AromaticContact CD1-CD2 3.68Å; Y345-Y378 HydrophobicContact CD1-CD2 3.68Å; Y345-Y378 HydrophobicContact CD1-CE2 4.23Å; Y345-Y378 AromaticContact CD1-CG 3.59Å; Y345-Y378 HydrophobicContact CD1-CG 3.59Å; Y345-Y378 HydrophobicContact CD2-CD2 4.25Å; Y345-Y378 HydrophobicContact CD2-CE1 4.41Å; Y345-Y378 AromaticContact CD2-CE2 3.96Å; Y345-Y378 HydrophobicContact CD2-CE2 3.96Å; Y345-Y378 AromaticContact CE1-CD2 3.47Å; Y345-Y378 HydrophobicContact CE1-CD2 3.47Å; Y345-Y378 VanDerWaalsContact CE1-CD2 3.47Å; Y345-Y378 HydrophobicContact CE1-CE2 4.06Å; Y345-Y378 AromaticContact CE1-CG 3.84Å; Y345-Y378 HydrophobicContact CE1-CG 3.84Å; Y345-Y378 HydrophobicContact CE2-CD2 4.06Å; Y345-Y378 AromaticContact CE2-CE2 3.77Å; Y345-Y378 HydrophobicContact CE2-CE2 3.77Å; Y345-Y378 HydrophobicContact CG-CD1 4.09Å; Y345-Y378 HydrophobicContact CG-CD2 4.08Å; Y345-Y378 HydrophobicContact CG-CE1 4.2Å; Y345-Y378 HydrophobicContact CG-CE2 4.2Å; Y345-Y378 HydrophobicContact CG-CG 4.04Å; Y345-Y378 AromaticContact CZ-CD2 3.67Å; Y345-Y378 AromaticContact CZ-CE2 3.82Å; Q346-Y378 PolarHBondContact NE2-O 2.86Å; Q346-Y378 PolarHBondContact OE1-O 3.36Å; F375-Y378 PolarHBondContact O-N 2.93Å; I376-Y378 VanDerWaalsContact C-N 3.29Å; I376-Y378 PolarHBondContact O-N 2.89Å; Y378-N380 PolarHBondContact O-N 2.85Å
379L91.7Very high92.8Very high2 Ų247.5 Ų47.51%0.0125%0.245CC..  trans-74.6120.1175.9-66.8-176.5000111.1I350 M372 F375 I376 V384 I388 K417I350-L379 HydrophobicContact CD1-CD2 4Å; I350-L379 HydrophobicContact CG2-CD2 4.22Å; M372-L379 HydrophobicContact SD-CD1 4.45Å; F375-L379 HydrophobicContact CD2-CD1 3.81Å; F375-L379 HydrophobicContact CD2-CG 4.11Å; F375-L379 HydrophobicContact CE2-CD1 3.89Å; F375-L379 PolarHBondContact O-N 3.38Å; I376-L379 HydrophobicContact CD1-CD1 4.09Å; I376-L379 PolarHBondContact O-N 2.95Å; L379-V384 HydrophobicContact CB-CG2 3.8Å; L379-V384 HydrophobicContact CD1-CG2 4.28Å; L379-I388 HydrophobicContact CD1-CD1 3.72Å; L379-I388 HydrophobicContact CD2-CD1 3.58Å; L379-I388 HydrophobicContact CG-CD1 4.27Å; L379-K417 PolarHBondContact O-NZ 2.96Å
380N91.9Very high92.9Very high77 Ų7749.9 Ų49.941%0.41226%0.261SS..  trans-82.4152.8171.270.132.9000111.3Y378 A382 A383 V384Y378-N380 PolarHBondContact O-N 2.85Å; N380-A382 PolarHBondContact O-N 3.32Å; N380-A383 PolarHBondContact O-N 3.35Å; N380-A383 VanDerWaalsContact OD1-CB 3.3Å; N380-A383 WeakPolarHBondContact OD1-CB 3.49Å; N380-A383 PolarHBondContact OD1-N 3.12Å; N380-V384 WeakPolarHBondContact O-CG2 3.39Å; N380-V384 PolarHBondContact O-N 3.24Å
381E94.1Very high93Very high126 Ų12649.2 Ų49.259%0.58926%0.257SS*.Hα-helixtrans-59.3-33-175.9-69.4159.8-141.200112.8V384 N385 K417E381-V384 PolarHBondContact O-N 2.61Å; E381-N385 WeakPolarHBondContact O-CB 2.97Å; E381-N385 PolarHBondContact O-N 3.11Å; E381-N385 PolarHBondContact O-ND2 3.26Å; E381-K417 HydrophobicContact CG-CB 4.1Å; E381-K417 HydrophobicContact CG-CG 4.33Å
382A93.6Very high93.3Very high66 Ų6648.1 Ų48.155%0.54525%0.252SS..Hα-helixtrans-62.3-49.7177.200000111.6N380 S386N380-A382 PolarHBondContact O-N 3.32Å; A382-S386 WeakPolarHBondContact O-CB 3.37Å; A382-S386 PolarHBondContact O-N 2.93Å; A382-S386 PolarHBondContact O-OG 2.82Å
383A92.9Very high93.5Very high8 Ų849.2 Ų49.27%0.06626%0.259CS..Hα-helixtrans-66.9-40.3176.500000111.8V354 N380 N385 Q387 I388V354-A383 HydrophobicContact CG2-CB 4.48Å; N380-A383 PolarHBondContact O-N 3.35Å; N380-A383 VanDerWaalsContact OD1-CB 3.3Å; N380-A383 WeakPolarHBondContact OD1-CB 3.49Å; N380-A383 PolarHBondContact OD1-N 3.12Å; A383-N385 PolarHBondContact O-N 3.32Å; A383-Q387 CarbonylContact O-C 3.57Å; A383-Q387 WeakPolarHBondContact O-CA 3.45Å; A383-Q387 WeakPolarHBondContact O-CB 3.06Å; A383-Q387 PolarHBondContact O-N 2.81Å; A383-I388 PolarHBondContact O-N 2.7Å
384V96.3Very high93.6Very high0 Ų048.5 Ų48.50%026%0.256CS..Iπ-helixtrans-55.4-53.2175170.80000110.8L379 N380 E381 I388 F389 L414 K417 L418L379-V384 HydrophobicContact CB-CG2 3.8Å; L379-V384 HydrophobicContact CD1-CG2 4.28Å; N380-V384 WeakPolarHBondContact O-CG2 3.39Å; N380-V384 PolarHBondContact O-N 3.24Å; E381-V384 PolarHBondContact O-N 2.61Å; V384-I388 PolarHBondContact O-N 3.23Å; V384-F389 VanDerWaalsContact O-CB 3.25Å; V384-F389 WeakPolarHBondContact O-CB 3.43Å; V384-F389 PolarHBondContact O-N 3.48Å; V384-L414 HydrophobicContact CG1-CD2 4.02Å; V384-L414 HydrophobicContact CG2-CD2 4.43Å; V384-K417 HydrophobicContact CB-CB 4.36Å; V384-K417 HydrophobicContact CG1-CB 4.1Å; V384-K417 HydrophobicContact CG2-CB 4.16Å; V384-K417 HydrophobicContact CG2-CD 4.16Å; V384-L418 HydrophobicContact CG1-CD2 3.89Å
385N96.5Very high93.9Very high21 Ų2144.5 Ų44.511%0.11224%0.237CC..Iπ-helixtrans-78.8-34.7-172.9-72.2-73.9000114.6E381 A383 K417 L418 N419 N422E381-N385 WeakPolarHBondContact O-CB 2.97Å; E381-N385 PolarHBondContact O-N 3.11Å; E381-N385 PolarHBondContact O-ND2 3.26Å; A383-N385 PolarHBondContact O-N 3.32Å; N385-K417 PolarHBondContact ND2-O 3.14Å; N385-L418 WeakPolarHBondContact OD1-CA 3.13Å; N385-N419 PolarHBondContact ND2-N 3.27Å; N385-N419 PolarHBondContact OD1-N 3.15Å; N385-N422 PolarHBondContact O-ND2 2.77Å; N385-N422 PolarHBondContact OD1-ND2 3.17Å
386S94.8Very high94.1Very high75 Ų7544.7 Ų44.752%0.52424%0.238SC..Iπ-helixtrans-92.6-25.8-174.964.50000114.6A382A382-S386 WeakPolarHBondContact O-CB 3.37Å; A382-S386 PolarHBondContact O-N 2.93Å; A382-S386 PolarHBondContact O-OG 2.82Å
387Q94.1Very high94.3Very high92 Ų9246.7 Ų46.743%0.4325%0.251SS..Iπ-helixtrans-132.2-19.2-165.2-76.316086.500114.6V354 A383 H391V354-Q387 HydrophobicContact CG1-CB 3.82Å; V354-Q387 HydrophobicContact CG1-CG 4.32Å; A383-Q387 CarbonylContact O-C 3.57Å; A383-Q387 WeakPolarHBondContact O-CA 3.45Å; A383-Q387 WeakPolarHBondContact O-CB 3.06Å; A383-Q387 PolarHBondContact O-N 2.81Å; Q387-H391 PolarHBondContact O-CD2 3.49Å
388I95.6Very high94.5Very high0 Ų040.7 Ų40.70%022%0.224CC..Iπ-helixtrans-109.1-54.1-179.4-64.6174000111.2V354 F357 L379 A383 V384 H391 V392V354-I388 HydrophobicContact CG2-CD1 4.14Å; V354-I388 HydrophobicContact CG2-CG1 4.16Å; F357-I388 HydrophobicContact CD1-CG2 4.09Å; F357-I388 HydrophobicContact CD2-CB 4.45Å; F357-I388 HydrophobicContact CD2-CD1 4.23Å; F357-I388 HydrophobicContact CD2-CG1 4.01Å; F357-I388 HydrophobicContact CD2-CG2 3.78Å; F357-I388 HydrophobicContact CE1-CG2 4.21Å; F357-I388 HydrophobicContact CE2-CD1 4.47Å; F357-I388 HydrophobicContact CE2-CG2 3.91Å; F357-I388 HydrophobicContact CG-CG1 4.43Å; F357-I388 HydrophobicContact CG-CG2 3.89Å; F357-I388 HydrophobicContact CZ-CG2 4.13Å; L379-I388 HydrophobicContact CD1-CD1 3.72Å; L379-I388 HydrophobicContact CD2-CD1 3.58Å; L379-I388 HydrophobicContact CG-CD1 4.27Å; A383-I388 PolarHBondContact O-N 2.7Å; V384-I388 PolarHBondContact O-N 3.23Å; I388-H391 PolarHBondContact O-N 3.09Å; I388-V392 HydrophobicContact CG2-CG2 3.81Å; I388-V392 WeakPolarHBondContact O-CG2 3.43Å; I388-V392 PolarHBondContact O-N 3.43Å
389F96.5Very high94.7Very high2 Ų243.2 Ų43.21%0.00924%0.244CC..Hα-helixtrans-56.5-40.8-176-175.4-103000114.1V384 H391 V392 V393 M411 L418 N422 E426 L427V384-F389 VanDerWaalsContact O-CB 3.25Å; V384-F389 WeakPolarHBondContact O-CB 3.43Å; V384-F389 PolarHBondContact O-N 3.48Å; F389-H391 PolarHBondContact O-N 3.34Å; F389-V392 PolarHBondContact O-N 2.97Å; F389-V392 VanDerWaalsContact O-N 3.13Å; F389-V393 HydrophobicContact CD1-CG2 4.1Å; F389-V393 HydrophobicContact CE1-CG2 3.66Å; F389-V393 HydrophobicContact CE2-CG2 4.36Å; F389-V393 HydrophobicContact CZ-CG2 3.82Å; F389-V393 WeakPolarHBondContact O-CG2 3.41Å; F389-V393 PolarHBondContact O-N 3.21Å; F389-M411 HydrophobicContact CE2-CE 4.42Å; F389-M411 HydrophobicContact CE2-SD 4.11Å; F389-L418 HydrophobicContact CB-CD2 4Å; F389-L418 HydrophobicContact CD1-CD2 4.39Å; F389-L418 HydrophobicContact CD2-CD1 4.05Å; F389-L418 HydrophobicContact CD2-CD2 3.49Å; F389-L418 VanDerWaalsContact CD2-CD2 3.49Å; F389-L418 HydrophobicContact CD2-CG 4.43Å; F389-L418 HydrophobicContact CE2-CD1 3.71Å; F389-L418 HydrophobicContact CE2-CD2 4Å; F389-L418 HydrophobicContact CG-CD2 3.7Å; F389-L418 HydrophobicContact CZ-CD1 4.25Å; F389-N422 HydrophobicContact CD1-CB 3.74Å; F389-N422 VanDerWaalsContact CD1-CG 3.45Å; F389-N422 HydrophobicContact CE1-CB 3.6Å; F389-N422 HydrophobicContact CG-CB 4.49Å; F389-N422 HydrophobicContact CZ-CB 4.25Å; F389-E426 HydrophobicContact CE1-CB 4.07Å; F389-E426 HydrophobicContact CE1-CG 4.12Å; F389-E426 HydrophobicContact CZ-CB 4.47Å; F389-L427 HydrophobicContact CZ-CB 4.24Å
390P95.4Very high94.9Very high55 Ų5546.4 Ų46.436%0.35726%0.261SS..Hα-helixtrans-58.4-29.7174.3-2636.2000113.9H394P390-H394 PolarHBondContact O-CE1 2.89Å; P390-H394 PolarHBondContact O-ND1 3.17Å
391H94.9Very high95.1Very high65 Ų6545.2 Ų45.230%0.30126%0.258SS..Hα-helixtrans-83.7-37.4174.7-60.9-48.4000112.3F357 S358 Q387 I388 F389 V393 H394F357-H391 HydrophobicContact CB-CB 4.37Å; F357-H391 WeakPolarHBondContact O-CB 3.38Å; S358-H391 VanDerWaalsContact CA-CD2 3.47Å; S358-H391 WeakPolarHBondContact CA-CD2 3.48Å; S358-H391 WeakPolarHBondContact CA-NE2 3.36Å; S358-H391 WeakPolarHBondContact CB-NE2 3.18Å; Q387-H391 PolarHBondContact O-CD2 3.49Å; I388-H391 PolarHBondContact O-N 3.09Å; F389-H391 PolarHBondContact O-N 3.34Å; H391-V393 VanDerWaalsContact C-N 3.28Å; H391-V393 PolarHBondContact O-N 3.08Å; H391-H394 WeakPolarHBondContact O-CB 3.33Å; H391-H394 PolarHBondContact O-N 3.48Å; H391-H394 PolarHBondContact O-ND1 3.31Å
392V95.5Very high95.1Very high2 Ų241 Ų411%0.01225%0.245CC..Hα-helixtrans-61.8-35.9175177.10000111.8F357 L369 I388 F389 H394 G395 T407 M411 L414F357-V392 HydrophobicContact CD1-CG2 3.87Å; F357-V392 HydrophobicContact CE1-CG2 3.71Å; L369-V392 HydrophobicContact CD2-CG1 4.11Å; L369-V392 HydrophobicContact CD2-CG2 4.46Å; I388-V392 HydrophobicContact CG2-CG2 3.81Å; I388-V392 WeakPolarHBondContact O-CG2 3.43Å; I388-V392 PolarHBondContact O-N 3.43Å; F389-V392 PolarHBondContact O-N 2.97Å; F389-V392 VanDerWaalsContact O-N 3.13Å; V392-H394 PolarHBondContact O-N 3.11Å; V392-G395 WeakPolarHBondContact O-CA 3.46Å; V392-G395 PolarHBondContact O-N 2.9Å; V392-T407 HydrophobicContact CG1-CG2 3.75Å; V392-T407 WeakPolarHBondContact O-CG2 3.46Å; V392-M411 HydrophobicContact CG1-CE 3.42Å; V392-M411 VanDerWaalsContact CG1-CE 3.42Å; V392-L414 HydrophobicContact CG1-CD1 4.27Å; V392-L414 HydrophobicContact CG2-CD1 4.45Å
393V95.1Very high95.2Very high25 Ų2538 Ų3815%0.15222%0.22CC..G310 helixtrans-48.9-40.8175146.90000113.3F389 H391 G395 F396 E426 H430F389-V393 HydrophobicContact CD1-CG2 4.1Å; F389-V393 HydrophobicContact CE1-CG2 3.66Å; F389-V393 HydrophobicContact CE2-CG2 4.36Å; F389-V393 HydrophobicContact CZ-CG2 3.82Å; F389-V393 WeakPolarHBondContact O-CG2 3.41Å; F389-V393 PolarHBondContact O-N 3.21Å; H391-V393 VanDerWaalsContact C-N 3.28Å; H391-V393 PolarHBondContact O-N 3.08Å; V393-G395 PolarHBondContact O-N 2.74Å; V393-F396 WeakPolarHBondContact O-CD2 3.19Å; V393-F396 PolarHBondContact O-N 3.48Å; V393-F396 VanDerWaalsContact O-N 3.15Å; V393-E426 HydrophobicContact CG2-CG 4.24Å; V393-H430 WeakPolarHBondContact CG1-NE2 3.34Å
394H93.4Very high95.4Very high109 Ų10938.8 Ų38.851%0.50522%0.221SC..G310 helixtrans-61.8-26.2178.9-64.180.1000112.7P390 H391 V392 F396 T397 D398P390-H394 PolarHBondContact O-CE1 2.89Å; P390-H394 PolarHBondContact O-ND1 3.17Å; H391-H394 WeakPolarHBondContact O-CB 3.33Å; H391-H394 PolarHBondContact O-N 3.48Å; H391-H394 PolarHBondContact O-ND1 3.31Å; V392-H394 PolarHBondContact O-N 3.11Å; H394-F396 VanDerWaalsContact C-N 3.3Å; H394-F396 PolarHBondContact O-N 2.57Å; H394-T397 PolarHBondContact O-N 2.84Å; H394-T397 PolarHBondContact O-OG1 3.38Å; H394-D398 PolarHBondContact O-N 2.95Å
395G95Very high95.4Very high0 Ų040.5 Ų40.50%023%0.229CC..G310 helixtrans-64.6-29.3177.600000113.6V392 V393 T397 D398 R404 T407V392-G395 WeakPolarHBondContact O-CA 3.46Å; V392-G395 PolarHBondContact O-N 2.9Å; V393-G395 PolarHBondContact O-N 2.74Å; G395-T397 PolarHBondContact O-N 2.91Å; G395-D398 PolarHBondContact O-N 2.93Å; G395-R404 WeakPolarHBondContact O-CA 3.39Å; G395-R404 WeakPolarHBondContact O-CG 3Å; G395-T407 VanDerWaalsContact CA-OG1 3.32Å; G395-T407 WeakPolarHBondContact CA-OG1 3.47Å
396F96.3Very high95.3Very high3 Ų340.7 Ų40.71%0.01323%0.229CC..G310 helixtrans-68.9-20.3176.2-62.1-57.6000113.5V393 H394 R404 T407 V408 M411 L427 H430 F431 L434V393-F396 WeakPolarHBondContact O-CD2 3.19Å; V393-F396 PolarHBondContact O-N 3.48Å; V393-F396 VanDerWaalsContact O-N 3.15Å; H394-F396 VanDerWaalsContact C-N 3.3Å; H394-F396 PolarHBondContact O-N 2.57Å; F396-R404 WeakPolarHBondContact O-CD 3.46Å; F396-T407 HydrophobicContact CD1-CG2 3.58Å; F396-T407 HydrophobicContact CD2-CG2 4.27Å; F396-T407 HydrophobicContact CE1-CG2 3.5Å; F396-T407 HydrophobicContact CE2-CG2 4.19Å; F396-T407 HydrophobicContact CG-CG2 3.98Å; F396-T407 HydrophobicContact CZ-CG2 3.81Å; F396-V408 HydrophobicContact CD1-CG2 4.14Å; F396-V408 HydrophobicContact CE1-CG2 4.09Å; F396-M411 HydrophobicContact CE1-CG 4.09Å; F396-M411 HydrophobicContact CZ-CE 3.83Å; F396-M411 HydrophobicContact CZ-CG 3.72Å; F396-M411 HydrophobicContact CZ-SD 3.77Å; F396-L427 HydrophobicContact CE1-CD1 4.25Å; F396-L427 HydrophobicContact CE2-CD1 3.75Å; F396-L427 HydrophobicContact CZ-CD1 3.35Å; F396-H430 HydrophobicContact CB-CB 4.13Å; F396-H430 HydrophobicContact CD2-CB 3.61Å; F396-H430 AromaticContact CD2-CD2 3.86Å; F396-H430 AromaticContact CD2-CG 3.45Å; F396-H430 VanDerWaalsContact CD2-CG 3.45Å; F396-H430 AromaticContact CD2-ND1 3.74Å; F396-H430 HydrophobicContact CE2-CB 4.1Å; F396-H430 HydrophobicContact CG-CB 3.86Å; F396-H430 AromaticContact CG-CG 3.97Å; F396-F431 HydrophobicContact CE1-CE1 4.01Å; F396-F431 HydrophobicContact CZ-CE1 4.29Å; F396-L434 HydrophobicContact CB-CD1 4.22Å; F396-L434 HydrophobicContact CD1-CD1 3.76Å; F396-L434 HydrophobicContact CG-CD1 4.35Å
397T94.8Very high95.4Very high65 Ų6537.1 Ų37.140%0.39920%0.204SC..G310 helixtrans-116.512.7-178.853.10000112.8H394 G395H394-T397 PolarHBondContact O-N 2.84Å; H394-T397 PolarHBondContact O-OG1 3.38Å; G395-T397 PolarHBondContact O-N 2.91Å
398D95.9Very high95.6Very high11 Ų1132.8 Ų32.86%0.05918%0.184CC..  trans-68.7137.6176.2-158.9-52.8000110.7R362 R365 H394 G395 N400 I403 R404R362-D398 IonicContact CZ-OD1 2.82Å; R362-D398 IonicContact NE-OD1 2.66Å; R362-D398 PolarHBondContact NE-OD1 2.97Å; R362-D398 IonicContact NE-OD2 3.58Å; R362-D398 PolarHBondContact NE-OD2 2.98Å; R362-D398 VanDerWaalsContact NE-OD2 3.09Å; R362-D398 IonicContact NH2-OD1 3.49Å; R365-D398 IonicContact NH1-OD2 2.72Å; R365-D398 PolarHBondContact NH1-OD2 2.84Å; H394-D398 PolarHBondContact O-N 2.95Å; G395-D398 PolarHBondContact O-N 2.93Å; D398-N400 PolarHBondContact O-N 3.25Å; D398-N400 PolarHBondContact OD1-N 3.23Å; D398-I403 HydrophobicContact CB-CB 4.06Å; D398-I403 HydrophobicContact CB-CG2 3.82Å; D398-R404 WeakPolarHBondContact O-CD 3.33Å; D398-R404 WeakPolarHBondContact O-CG 3.29Å; D398-R404 PolarHBondContact O-NH1 3.27Å
399T95Very high95.5Very high103 Ų10333.6 Ų33.663%0.63219%0.187SC*.SBendtrans-47-37.5169.443.20000114R362 P401 R404R362-T399 PolarHBondContact NH2-OG1 2.79Å; T399-P401 WeakPolarHBondContact O-CD 3.21Å; T399-R404 PolarHBondContact O-NH1 3.36Å; T399-R404 VanDerWaalsContact O-NH1 3.09Å
400N95.4Very high95.5Very high69 Ų6933.7 Ų33.737%0.36919%0.188SC..SBendtrans-80.3117.7-177.4-176.1-25.8000111.3D398 A402 I403 R404D398-N400 PolarHBondContact O-N 3.25Å; D398-N400 PolarHBondContact OD1-N 3.23Å; N400-A402 VanDerWaalsContact C-N 3.28Å; N400-A402 PolarHBondContact O-N 3.31Å; N400-A402 WeakPolarHBondContact OD1-CB 3.29Å; N400-A402 PolarHBondContact OD1-N 3.02Å; N400-I403 HydrophobicContact CB-CB 4.41Å; N400-I403 HydrophobicContact CB-CD1 3.93Å; N400-I403 HydrophobicContact CB-CG1 3.98Å; N400-I403 PolarHBondContact O-N 3.16Å; N400-I403 VanDerWaalsContact O-N 3.07Å; N400-R404 PolarHBondContact O-N 3.25Å
401P95.7Very high95.5Very high52 Ų5231 Ų3134%0.33817%0.171SC..Hα-helixtrans-55.9-36.8179.8-27.637000114.4T399 I403 R404 E405 Q440 I443T399-P401 WeakPolarHBondContact O-CD 3.21Å; P401-I403 VanDerWaalsContact C-N 3.26Å; P401-I403 PolarHBondContact O-N 3.36Å; P401-R404 PolarHBondContact O-N 3.39Å; P401-E405 WeakPolarHBondContact O-CB 3.47Å; P401-E405 PolarHBondContact O-N 3.45Å; P401-Q440 HydrophobicContact CB-CG 4.19Å; P401-Q440 HydrophobicContact CG-CG 4.3Å; P401-I443 HydrophobicContact CB-CD1 4.01Å; P401-I443 WeakPolarHBondContact O-CD1 3.48Å
402A95.1Very high95.5Very high39 Ų3929.9 Ų29.932%0.32217%0.167SC..Hα-helixtrans-66.1-29.6-179.600000112.2I366 N400 Q406I366-A402 HydrophobicContact CD1-CB 3.88Å; N400-A402 VanDerWaalsContact C-N 3.28Å; N400-A402 PolarHBondContact O-N 3.31Å; N400-A402 WeakPolarHBondContact OD1-CB 3.29Å; N400-A402 PolarHBondContact OD1-N 3.02Å; A402-Q406 WeakPolarHBondContact O-CB 3.18Å; A402-Q406 WeakPolarHBondContact O-CG 3.27Å; A402-Q406 PolarHBondContact O-N 3.09Å
403I95.9Very high95.5Very high2 Ų232.1 Ų32.11%0.0118%0.178CC..Hα-helixtrans-72.1-46.8174.6-60.1-177.8000109.8R362 I366 D398 N400 P401 E405 Q406 T407R362-I403 HydrophobicContact CB-CD1 3.65Å; R362-I403 HydrophobicContact CG-CD1 3.71Å; I366-I403 HydrophobicContact CB-CG1 4.22Å; I366-I403 HydrophobicContact CD1-CG1 4.15Å; I366-I403 HydrophobicContact CG1-CG1 4.45Å; D398-I403 HydrophobicContact CB-CB 4.06Å; D398-I403 HydrophobicContact CB-CG2 3.82Å; N400-I403 HydrophobicContact CB-CB 4.41Å; N400-I403 HydrophobicContact CB-CD1 3.93Å; N400-I403 HydrophobicContact CB-CG1 3.98Å; N400-I403 PolarHBondContact O-N 3.16Å; N400-I403 VanDerWaalsContact O-N 3.07Å; P401-I403 VanDerWaalsContact C-N 3.26Å; P401-I403 PolarHBondContact O-N 3.36Å; I403-E405 VanDerWaalsContact C-N 3.33Å; I403-E405 PolarHBondContact O-N 2.73Å; I403-Q406 PolarHBondContact O-N 2.66Å; I403-T407 WeakPolarHBondContact O-CB 3.48Å; I403-T407 PolarHBondContact O-N 3.04Å; I403-T407 PolarHBondContact O-OG1 2.88Å
404R96.6Very high95.5Very high25 Ų2531 Ų319%0.09417%0.171CC..Hα-helixtrans-58.4-46.2175.8-59.4-161.4-58.9-88.111.2111.5G395 F396 D398 T399 N400 P401 T407 V408 D438 I443G395-R404 WeakPolarHBondContact O-CA 3.39Å; G395-R404 WeakPolarHBondContact O-CG 3Å; F396-R404 WeakPolarHBondContact O-CD 3.46Å; D398-R404 WeakPolarHBondContact O-CD 3.33Å; D398-R404 WeakPolarHBondContact O-CG 3.29Å; D398-R404 PolarHBondContact O-NH1 3.27Å; T399-R404 PolarHBondContact O-NH1 3.36Å; T399-R404 VanDerWaalsContact O-NH1 3.09Å; N400-R404 PolarHBondContact O-N 3.25Å; P401-R404 PolarHBondContact O-N 3.39Å; R404-T407 PolarHBondContact O-N 2.87Å; R404-V408 WeakPolarHBondContact O-CG2 3.46Å; R404-V408 PolarHBondContact O-N 3.04Å; R404-D438 IonicContact CZ-OD1 3.55Å; R404-D438 IonicContact CZ-OD2 3.51Å; R404-D438 IonicContact NE-OD1 3.89Å; R404-D438 IonicContact NE-OD2 2.6Å; R404-D438 PolarHBondContact NE-OD2 3Å; R404-D438 IonicContact NH2-OD1 2.72Å; R404-D438 PolarHBondContact NH2-OD1 2.89Å; R404-D438 IonicContact NH2-OD2 3.42Å; R404-D438 PolarHBondContact NH2-OD2 3.36Å; R404-I443 HydrophobicContact CB-CD1 4.02Å
405E95.2Very high95.6Very high36 Ų3625.8 Ų25.817%0.16815%0.148CC..Hα-helixtrans-61.5-48.4179.4-157.7-147.1174.900112.1P401 I403 T407 V408 K409 I443 N446P401-E405 WeakPolarHBondContact O-CB 3.47Å; P401-E405 PolarHBondContact O-N 3.45Å; I403-E405 VanDerWaalsContact C-N 3.33Å; I403-E405 PolarHBondContact O-N 2.73Å; E405-T407 VanDerWaalsContact C-N 3.34Å; E405-T407 PolarHBondContact O-N 3.28Å; E405-V408 PolarHBondContact O-N 3.27Å; E405-K409 WeakPolarHBondContact O-CG 3.45Å; E405-K409 PolarHBondContact O-N 2.92Å; E405-K409 WeakPolarHBondContact OE1-CE 3.49Å; E405-K409 IonicContact OE1-NZ 2.74Å; E405-K409 PolarHBondContact OE1-NZ 3.01Å; E405-K409 IonicContact OE2-NZ 2.81Å; E405-K409 PolarHBondContact OE2-NZ 3.21Å; E405-K409 VanDerWaalsContact OE2-NZ 3.1Å; E405-I443 HydrophobicContact CB-CD1 4.32Å; E405-I443 HydrophobicContact CB-CG1 4.18Å; E405-I443 HydrophobicContact CG-CG1 4.28Å; E405-N446 VanDerWaalsContact CG-ND2 3.33Å; E405-N446 WeakPolarHBondContact CG-ND2 3.42Å; E405-N446 PolarHBondContact OE1-ND2 3.14Å
406Q95.6Very high95.6Very high25 Ų2528.7 Ų28.712%0.11717%0.166CC..Hα-helixtrans-67.3-34.3177.7-67.6-67.2-14.100112.2I366 L369 Q370 A402 I403 V408 K409 S410I366-Q406 HydrophobicContact CD1-CG 4.43Å; I366-Q406 HydrophobicContact CG1-CB 4.43Å; I366-Q406 HydrophobicContact CG1-CG 4.16Å; L369-Q406 HydrophobicContact CB-CB 4.2Å; Q370-Q406 HydrophobicContact CG-CG 4.15Å; A402-Q406 WeakPolarHBondContact O-CB 3.18Å; A402-Q406 WeakPolarHBondContact O-CG 3.27Å; A402-Q406 PolarHBondContact O-N 3.09Å; I403-Q406 PolarHBondContact O-N 2.66Å; Q406-V408 VanDerWaalsContact C-N 3.33Å; Q406-V408 PolarHBondContact O-N 2.87Å; Q406-K409 WeakPolarHBondContact O-CB 3.43Å; Q406-K409 PolarHBondContact O-N 2.88Å; Q406-K409 VanDerWaalsContact O-N 3.14Å; Q406-S410 PolarHBondContact O-N 2.82Å; Q406-S410 PolarHBondContact O-OG 3.24Å; Q406-S410 VanDerWaalsContact O-OG 3.13Å
407T97.4Very high95.6Very high0 Ų030.8 Ų30.80%018%0.175CC..Hα-helixtrans-61.3-42.6175-51.70000111.1L369 V392 G395 F396 I403 R404 E405 M411L369-T407 WeakPolarHBondContact CD1-OG1 3.43Å; V392-T407 HydrophobicContact CG1-CG2 3.75Å; V392-T407 WeakPolarHBondContact O-CG2 3.46Å; G395-T407 VanDerWaalsContact CA-OG1 3.32Å; G395-T407 WeakPolarHBondContact CA-OG1 3.47Å; F396-T407 HydrophobicContact CD1-CG2 3.58Å; F396-T407 HydrophobicContact CD2-CG2 4.27Å; F396-T407 HydrophobicContact CE1-CG2 3.5Å; F396-T407 HydrophobicContact CE2-CG2 4.19Å; F396-T407 HydrophobicContact CG-CG2 3.98Å; F396-T407 HydrophobicContact CZ-CG2 3.81Å; I403-T407 WeakPolarHBondContact O-CB 3.48Å; I403-T407 PolarHBondContact O-N 3.04Å; I403-T407 PolarHBondContact O-OG1 2.88Å; R404-T407 PolarHBondContact O-N 2.87Å; E405-T407 VanDerWaalsContact C-N 3.34Å; E405-T407 PolarHBondContact O-N 3.28Å; T407-M411 WeakPolarHBondContact O-CG 3.33Å
408V97.1Very high95.6Very high0 Ų028.5 Ų28.50%016%0.161CC..Hα-helixtrans-63.1-42.1173172.50000111.5F396 R404 E405 Q406 M411 L434 N446 C450F396-V408 HydrophobicContact CD1-CG2 4.14Å; F396-V408 HydrophobicContact CE1-CG2 4.09Å; R404-V408 WeakPolarHBondContact O-CG2 3.46Å; R404-V408 PolarHBondContact O-N 3.04Å; E405-V408 PolarHBondContact O-N 3.27Å; Q406-V408 VanDerWaalsContact C-N 3.33Å; Q406-V408 PolarHBondContact O-N 2.87Å; V408-M411 WeakPolarHBondContact O-CB 2.99Å; V408-M411 PolarHBondContact O-N 2.93Å; V408-L434 HydrophobicContact CG2-CD1 3.65Å; V408-N446 HydrophobicContact CG1-CB 4.41Å; V408-C450 HydrophobicContact CG1-CB 3.91Å; V408-C450 PolarHBondContact O-SG 3.33Å
409K94.4Very high95.6Very high18 Ų1831.4 Ų31.48%0.07818%0.176CC..Hα-helixtrans-60.3-47.2177.9-68.7175-168.1179.70112.4E405 Q406 M411 L412 L581E405-K409 WeakPolarHBondContact O-CG 3.45Å; E405-K409 PolarHBondContact O-N 2.92Å; E405-K409 WeakPolarHBondContact OE1-CE 3.49Å; E405-K409 IonicContact OE1-NZ 2.74Å; E405-K409 PolarHBondContact OE1-NZ 3.01Å; E405-K409 IonicContact OE2-NZ 2.81Å; E405-K409 PolarHBondContact OE2-NZ 3.21Å; E405-K409 VanDerWaalsContact OE2-NZ 3.1Å; Q406-K409 WeakPolarHBondContact O-CB 3.43Å; Q406-K409 PolarHBondContact O-N 2.88Å; Q406-K409 VanDerWaalsContact O-N 3.14Å; K409-M411 PolarHBondContact O-N 2.68Å; K409-M411 VanDerWaalsContact O-N 3.11Å; K409-L412 WeakPolarHBondContact O-CB 3.47Å; K409-L412 PolarHBondContact O-N 2.67Å; K409-L581 HydrophobicContact CD-CD1 4.18Å; K409-L581 HydrophobicContact CD-CG 4.06Å; K409-L581 WeakPolarHBondContact CD-O 3.28Å; K409-L581 VanDerWaalsContact CE-CD1 3.49Å; K409-L581 WeakPolarHBondContact CE-O 3.42Å; K409-L581 HydrophobicContact CG-CD1 3.81Å; K409-L581 HydrophobicContact CG-CD2 4.07Å; K409-L581 HydrophobicContact CG-CG 3.74Å; K409-L581 PolarHBondContact NZ-O 2.91Å
410S96.3Very high95.4Very high3 Ų332.9 Ų32.92%0.02118%0.176CC..Hα-helixtrans-63.9-16.7-179.1-52.50000113.9L369 Q406 L412 L413 L414L369-S410 WeakPolarHBondContact CB-OG 3.29Å; L369-S410 WeakPolarHBondContact CD2-OG 3.5Å; L369-S410 PolarHBondContact O-OG 2.9Å; L369-S410 VanDerWaalsContact O-OG 3.07Å; Q406-S410 PolarHBondContact O-N 2.82Å; Q406-S410 PolarHBondContact O-OG 3.24Å; Q406-S410 VanDerWaalsContact O-OG 3.13Å; S410-L412 PolarHBondContact O-N 3.41Å; S410-L413 PolarHBondContact O-N 3.19Å; S410-L413 VanDerWaalsContact O-N 3.08Å; S410-L414 PolarHBondContact O-N 2.88Å
411M96.2Very high95.4Very high0 Ų033.1 Ų33.10%018%0.18CC..Hα-helixtrans-64.9-26.7175.2-67.5-60.4116.600113.5F389 V392 F396 T407 V408 K409 L413 L414 A415 L427 F431F389-M411 HydrophobicContact CE2-CE 4.42Å; F389-M411 HydrophobicContact CE2-SD 4.11Å; V392-M411 HydrophobicContact CG1-CE 3.42Å; V392-M411 VanDerWaalsContact CG1-CE 3.42Å; F396-M411 HydrophobicContact CE1-CG 4.09Å; F396-M411 HydrophobicContact CZ-CE 3.83Å; F396-M411 HydrophobicContact CZ-CG 3.72Å; F396-M411 HydrophobicContact CZ-SD 3.77Å; T407-M411 WeakPolarHBondContact O-CG 3.33Å; V408-M411 WeakPolarHBondContact O-CB 2.99Å; V408-M411 PolarHBondContact O-N 2.93Å; K409-M411 PolarHBondContact O-N 2.68Å; K409-M411 VanDerWaalsContact O-N 3.11Å; M411-L413 PolarHBondContact O-N 3.4Å; M411-L414 HydrophobicContact CE-CB 4.44Å; M411-L414 HydrophobicContact CE-CD1 3.62Å; M411-L414 PolarHBondContact O-N 2.96Å; M411-A415 WeakPolarHBondContact O-CB 3.41Å; M411-A415 PolarHBondContact O-N 3.49Å; M411-L427 HydrophobicContact CB-CD2 4.49Å; M411-L427 HydrophobicContact CG-CD1 3.8Å; M411-L427 HydrophobicContact CG-CD2 4.3Å; M411-L427 HydrophobicContact SD-CD1 3.56Å; M411-L427 VanDerWaalsContact SD-CD1 3.56Å; M411-L427 HydrophobicContact SD-CD2 3.93Å; M411-L427 HydrophobicContact SD-CG 4.4Å; M411-F431 HydrophobicContact CB-CZ 4.08Å; M411-F431 HydrophobicContact CG-CE1 4.13Å; M411-F431 HydrophobicContact CG-CZ 4.08Å
412L94.4Very high95.4Very high41 Ų4131.9 Ų31.922%0.21517%0.17CC..Hα-helixtrans-59.5-29.6172.4-63.7176.1000112.3K409 S410 C450 K453 I454 T578 L581K409-L412 WeakPolarHBondContact O-CB 3.47Å; K409-L412 PolarHBondContact O-N 2.67Å; S410-L412 PolarHBondContact O-N 3.41Å; L412-C450 HydrophobicContact CD2-CB 4.44Å; L412-K453 HydrophobicContact CD2-CB 3.54Å; L412-K453 HydrophobicContact CD2-CD 4.06Å; L412-K453 HydrophobicContact CD2-CG 4.38Å; L412-I454 HydrophobicContact CD2-CG2 4.28Å; L412-T578 HydrophobicContact CD1-CG2 4.25Å; L412-L581 HydrophobicContact CD1-CD2 4.1Å
413L94.9Very high95.4Very high49 Ų4930.3 Ų30.326%0.25716%0.156SC..Hα-helixtrans-95.8-31.7-177.7-55.9170.5000112.3M372 E373 I376 S410 M411M372-L413 HydrophobicContact CB-CD1 3.85Å; M372-L413 HydrophobicContact CG-CB 4.16Å; M372-L413 HydrophobicContact CG-CD1 3.7Å; E373-L413 HydrophobicContact CG-CD1 3.46Å; E373-L413 VanDerWaalsContact CG-CD1 3.46Å; E373-L413 HydrophobicContact CG-CD2 4.15Å; E373-L413 HydrophobicContact CG-CG 4.46Å; I376-L413 HydrophobicContact CG1-CB 4.25Å; S410-L413 PolarHBondContact O-N 3.19Å; S410-L413 VanDerWaalsContact O-N 3.08Å; M411-L413 PolarHBondContact O-N 3.4Å
414L95.8Very high95.2Very high0 Ų031.4 Ų31.40%016%0.163CC..Hα-helixtrans-86.3-34.3-177.7-74.1166.6000113.5M372 I376 V384 V392 S410 M411 P416 K417 L418M372-L414 HydrophobicContact CE-CD1 3.84Å; M372-L414 HydrophobicContact CE-CD2 4.43Å; M372-L414 HydrophobicContact CE-CG 4.28Å; M372-L414 HydrophobicContact SD-CD1 4.48Å; M372-L414 HydrophobicContact SD-CD2 4.15Å; M372-L414 HydrophobicContact SD-CG 4.28Å; I376-L414 HydrophobicContact CD1-CD2 3.8Å; I376-L414 HydrophobicContact CD1-CG 4.44Å; V384-L414 HydrophobicContact CG1-CD2 4.02Å; V384-L414 HydrophobicContact CG2-CD2 4.43Å; V392-L414 HydrophobicContact CG1-CD1 4.27Å; V392-L414 HydrophobicContact CG2-CD1 4.45Å; S410-L414 PolarHBondContact O-N 2.88Å; M411-L414 HydrophobicContact CE-CB 4.44Å; M411-L414 HydrophobicContact CE-CD1 3.62Å; M411-L414 PolarHBondContact O-N 2.96Å; L414-P416 VanDerWaalsContact C-N 3.35Å; L414-K417 CarbonylContact O-C 3.58Å; L414-K417 WeakPolarHBondContact O-CA 3.4Å; L414-K417 PolarHBondContact O-N 3.27Å; L414-L418 PolarHBondContact O-N 3.43Å
415A95.2Very high95Very high1 Ų135.7 Ų35.71%0.00818%0.184CC..G310 helixtrans-52.7-38.5-176.600000115.2M411 K417 L418 L423 I454 Y457M411-A415 WeakPolarHBondContact O-CB 3.41Å; M411-A415 PolarHBondContact O-N 3.49Å; A415-K417 PolarHBondContact O-N 3.35Å; A415-K417 VanDerWaalsContact O-N 3.1Å; A415-L418 PolarHBondContact O-N 3.22Å; A415-L423 HydrophobicContact CB-CD1 4.01Å; A415-I454 HydrophobicContact CB-CB 3.94Å; A415-I454 HydrophobicContact CB-CD1 4.47Å; A415-I454 HydrophobicContact CB-CG2 3.62Å; A415-Y457 HydrophobicContact CB-CD2 4.43Å
416P94.5Very high95Very high60 Ų6036.8 Ų36.839%0.3919%0.189SC..G310 helixtrans-65.2-10.5175.3-19.232000114.8L414 Y457L414-P416 VanDerWaalsContact C-N 3.35Å; P416-Y457 HydrophobicContact CB-CE1 4.03Å; P416-Y457 HydrophobicContact CG-CE1 4.17Å; P416-Y457 HydrophobicContact CG-CE2 4.01Å
417K95.4Very high95.1Very high47 Ų4735.6 Ų35.620%0.20418%0.183CC..G310 helixtrans-116.54.9179.4-64.7172.8-176.5-85.80112.8I376 L379 E381 V384 N385 L414 A415I376-K417 HydrophobicContact CD1-CD 3.85Å; I376-K417 HydrophobicContact CG1-CD 4.38Å; I376-K417 WeakPolarHBondContact O-CE 3.47Å; I376-K417 PolarHBondContact O-NZ 2.6Å; L379-K417 PolarHBondContact O-NZ 2.96Å; E381-K417 HydrophobicContact CG-CB 4.1Å; E381-K417 HydrophobicContact CG-CG 4.33Å; V384-K417 HydrophobicContact CB-CB 4.36Å; V384-K417 HydrophobicContact CG1-CB 4.1Å; V384-K417 HydrophobicContact CG2-CB 4.16Å; V384-K417 HydrophobicContact CG2-CD 4.16Å; N385-K417 PolarHBondContact ND2-O 3.14Å; L414-K417 CarbonylContact O-C 3.58Å; L414-K417 WeakPolarHBondContact O-CA 3.4Å; L414-K417 PolarHBondContact O-N 3.27Å; A415-K417 PolarHBondContact O-N 3.35Å; A415-K417 VanDerWaalsContact O-N 3.1Å
418L96.6Very high95Very high18 Ų1836.5 Ų36.59%0.09419%0.188CC..  trans-86.5140.3175.9-67.1-178.2000111.2V384 N385 F389 L414 A415 N422 L423 L427V384-L418 HydrophobicContact CG1-CD2 3.89Å; N385-L418 WeakPolarHBondContact OD1-CA 3.13Å; F389-L418 HydrophobicContact CB-CD2 4Å; F389-L418 HydrophobicContact CD1-CD2 4.39Å; F389-L418 HydrophobicContact CD2-CD1 4.05Å; F389-L418 HydrophobicContact CD2-CD2 3.49Å; F389-L418 VanDerWaalsContact CD2-CD2 3.49Å; F389-L418 HydrophobicContact CD2-CG 4.43Å; F389-L418 HydrophobicContact CE2-CD1 3.71Å; F389-L418 HydrophobicContact CE2-CD2 4Å; F389-L418 HydrophobicContact CG-CD2 3.7Å; F389-L418 HydrophobicContact CZ-CD1 4.25Å; L414-L418 PolarHBondContact O-N 3.43Å; A415-L418 PolarHBondContact O-N 3.22Å; L418-N422 HydrophobicContact CB-CB 4.39Å; L418-N422 HydrophobicContact CD2-CB 4.2Å; L418-L423 HydrophobicContact CB-CB 3.88Å; L418-L423 HydrophobicContact CD1-CD1 4.24Å; L418-L427 HydrophobicContact CD1-CD2 4.18Å
419N95.1Very high94.9Very high71 Ų7143.2 Ų43.238%0.3821%0.213SC..  trans-74.2167.4171.570.825.5000111.3N385 T421 N422 L423N385-N419 PolarHBondContact ND2-N 3.27Å; N385-N419 PolarHBondContact OD1-N 3.15Å; N419-T421 VanDerWaalsContact C-N 3.28Å; N419-T421 PolarHBondContact O-N 2.69Å; N419-T421 PolarHBondContact OD1-N 3.49Å; N419-N422 PolarHBondContact O-N 2.89Å; N419-N422 WeakPolarHBondContact OD1-CB 3.11Å; N419-N422 PolarHBondContact OD1-N 3.22Å; N419-L423 VanDerWaalsContact O-CB 3.28Å; N419-L423 WeakPolarHBondContact O-CB 3.45Å; N419-L423 PolarHBondContact O-N 3.01Å
420E91.4Very high95.1Very high135 Ų13543.4 Ų43.463%0.63121%0.214SC*.Hα-helixtrans-57.2-38.7-174-64.5-163.1131.800113.6N424E420-N424 VanDerWaalsContact O-CB 3.25Å; E420-N424 WeakPolarHBondContact O-CB 3.38Å; E420-N424 PolarHBondContact O-N 3.08Å; E420-N424 PolarHBondContact O-ND2 2.96Å
421T94.1Very high95.1Very high74 Ų7443.5 Ų43.545%0.45421%0.214SC..Hα-helixtrans-65.4-53.9179.2-49.40000111.6N419 L423 Q425 E426N419-T421 VanDerWaalsContact C-N 3.28Å; N419-T421 PolarHBondContact O-N 2.69Å; N419-T421 PolarHBondContact OD1-N 3.49Å; T421-L423 VanDerWaalsContact C-N 3.3Å; T421-L423 PolarHBondContact O-N 2.94Å; T421-Q425 VanDerWaalsContact O-CB 3.31Å; T421-Q425 WeakPolarHBondContact O-CB 3.46Å; T421-Q425 PolarHBondContact O-N 3.02Å; T421-E426 PolarHBondContact O-N 3.31Å
422N96Very high95.1Very high25 Ų2545.5 Ų45.513%0.13423%0.231CC..Iπ-helixtrans-63.2-38.3-179-75.7-17.8000111.5N385 F389 L418 N419 L427N385-N422 PolarHBondContact O-ND2 2.77Å; N385-N422 PolarHBondContact OD1-ND2 3.17Å; F389-N422 HydrophobicContact CD1-CB 3.74Å; F389-N422 VanDerWaalsContact CD1-CG 3.45Å; F389-N422 HydrophobicContact CE1-CB 3.6Å; F389-N422 HydrophobicContact CG-CB 4.49Å; F389-N422 HydrophobicContact CZ-CB 4.25Å; L418-N422 HydrophobicContact CB-CB 4.39Å; L418-N422 HydrophobicContact CD2-CB 4.2Å; N419-N422 PolarHBondContact O-N 2.89Å; N419-N422 WeakPolarHBondContact OD1-CB 3.11Å; N419-N422 PolarHBondContact OD1-N 3.22Å; N422-L427 VanDerWaalsContact O-CB 3.32Å; N422-L427 WeakPolarHBondContact O-CB 3.48Å; N422-L427 PolarHBondContact O-N 3.17Å
423L95.2Very high95.2Very high6 Ų651 Ų513%0.03125%0.249CC..Iπ-helixtrans-78.1-48.6-177.8-17759.9000113.4A415 L418 N419 T421 L427 I454 Y457 L458A415-L423 HydrophobicContact CB-CD1 4.01Å; L418-L423 HydrophobicContact CB-CB 3.88Å; L418-L423 HydrophobicContact CD1-CD1 4.24Å; N419-L423 VanDerWaalsContact O-CB 3.28Å; N419-L423 WeakPolarHBondContact O-CB 3.45Å; N419-L423 PolarHBondContact O-N 3.01Å; T421-L423 VanDerWaalsContact C-N 3.3Å; T421-L423 PolarHBondContact O-N 2.94Å; L423-L427 HydrophobicContact CD1-CD2 4.03Å; L423-I454 HydrophobicContact CD1-CD1 4.4Å; L423-Y457 VanDerWaalsContact CD2-O 3.24Å; L423-Y457 WeakPolarHBondContact CD2-O 3.47Å; L423-L458 HydrophobicContact CD1-CD2 4.27Å; L423-L458 HydrophobicContact CG-CD2 4.11Å
424N92.3Very high95.2Very high26 Ų2649 Ų4914%0.13924%0.238CC..Iπ-helixtrans-95.9-17.5-169.2-59.7-85.1000113.9E420 M428 L458 N459E420-N424 VanDerWaalsContact O-CB 3.25Å; E420-N424 WeakPolarHBondContact O-CB 3.38Å; E420-N424 PolarHBondContact O-N 3.08Å; E420-N424 PolarHBondContact O-ND2 2.96Å; N424-M428 VanDerWaalsContact O-CG 3.29Å; N424-M428 WeakPolarHBondContact O-CG 3.41Å; N424-L458 WeakPolarHBondContact OD1-CA 3.44Å; N424-N459 PolarHBondContact OD1-N 2.73Å
425Q92.4Very high95.2Very high115 Ų11549.6 Ų49.654%0.53724%0.241SC..Iπ-helixtrans-109.2-62.2177.7-51.7-179.34.500110.3T421 R429T421-Q425 VanDerWaalsContact O-CB 3.31Å; T421-Q425 WeakPolarHBondContact O-CB 3.46Å; T421-Q425 PolarHBondContact O-N 3.02Å; Q425-R429 PolarHBondContact O-N 2.67Å; Q425-R429 VanDerWaalsContact O-N 3.07Å
426E95.5Very high95.2Very high59 Ų5952 Ų5228%0.27626%0.261SS..Iπ-helixtrans-70.3-54.5-169.7-15756.5-119.200112.2F389 V393 T421 M428 R429 H430F389-E426 HydrophobicContact CE1-CB 4.07Å; F389-E426 HydrophobicContact CE1-CG 4.12Å; F389-E426 HydrophobicContact CZ-CB 4.47Å; V393-E426 HydrophobicContact CG2-CG 4.24Å; T421-E426 PolarHBondContact O-N 3.31Å; E426-M428 VanDerWaalsContact C-N 3.26Å; E426-M428 PolarHBondContact O-N 2.77Å; E426-R429 WeakPolarHBondContact O-CB 3.41Å; E426-R429 PolarHBondContact O-N 2.94Å; E426-R429 VanDerWaalsContact O-N 3.15Å; E426-R429 IonicContact OE1-CZ 3.91Å; E426-R429 IonicContact OE1-NH1 2.69Å; E426-R429 PolarHBondContact OE1-NH1 3.16Å; E426-R429 IonicContact OE2-CZ 3.88Å; E426-R429 IonicContact OE2-NH1 2.7Å; E426-R429 PolarHBondContact OE2-NH1 3.35Å; E426-H430 PolarHBondContact O-CD2 3.33Å; E426-H430 VanDerWaalsContact O-CD2 3.24Å; E426-H430 PolarHBondContact O-N 3.41Å; E426-H430 IonicContact OE1-CD2 3.92Å; E426-H430 IonicContact OE1-NE2 3.61Å
427L96.8Very high95.1Very high0 Ų059 Ų590%028%0.28CS..Hα-helixtrans-60.2-37.6178.7-175.759.9000112.3F389 F396 M411 L418 N422 L423 H430 F431 I454F389-L427 HydrophobicContact CZ-CB 4.24Å; F396-L427 HydrophobicContact CE1-CD1 4.25Å; F396-L427 HydrophobicContact CE2-CD1 3.75Å; F396-L427 HydrophobicContact CZ-CD1 3.35Å; M411-L427 HydrophobicContact CB-CD2 4.49Å; M411-L427 HydrophobicContact CG-CD1 3.8Å; M411-L427 HydrophobicContact CG-CD2 4.3Å; M411-L427 HydrophobicContact SD-CD1 3.56Å; M411-L427 VanDerWaalsContact SD-CD1 3.56Å; M411-L427 HydrophobicContact SD-CD2 3.93Å; M411-L427 HydrophobicContact SD-CG 4.4Å; L418-L427 HydrophobicContact CD1-CD2 4.18Å; N422-L427 VanDerWaalsContact O-CB 3.32Å; N422-L427 WeakPolarHBondContact O-CB 3.48Å; N422-L427 PolarHBondContact O-N 3.17Å; L423-L427 HydrophobicContact CD1-CD2 4.03Å; L427-H430 PolarHBondContact O-N 3.23Å; L427-F431 HydrophobicContact CD1-CD1 3.79Å; L427-F431 HydrophobicContact CD1-CE1 3.47Å; L427-F431 VanDerWaalsContact CD1-CE1 3.47Å; L427-F431 HydrophobicContact CD1-CZ 3.98Å; L427-F431 HydrophobicContact CD2-CZ 4.29Å; L427-F431 HydrophobicContact CG-CD1 4.23Å; L427-F431 HydrophobicContact CG-CE1 4.08Å; L427-F431 HydrophobicContact CG-CE2 4.49Å; L427-F431 HydrophobicContact CG-CZ 4.21Å; L427-F431 WeakPolarHBondContact O-CB 3.35Å; L427-F431 PolarHBondContact O-N 2.68Å; L427-I454 HydrophobicContact CD2-CD1 3.66Å
428M95.1Very high95.2Very high19 Ų1957.3 Ų57.39%0.09427%0.273CS..Hα-helixtrans-65.8-38.2178.4-63.1-59.498.800112N424 E426 F431 A432 L451 I454 L458 I466N424-M428 VanDerWaalsContact O-CG 3.29Å; N424-M428 WeakPolarHBondContact O-CG 3.41Å; E426-M428 VanDerWaalsContact C-N 3.26Å; E426-M428 PolarHBondContact O-N 2.77Å; M428-F431 HydrophobicContact CE-CD2 4.16Å; M428-F431 PolarHBondContact O-N 3.21Å; M428-A432 VanDerWaalsContact O-CB 3.3Å; M428-A432 WeakPolarHBondContact O-CB 3.47Å; M428-A432 PolarHBondContact O-N 2.79Å; M428-L451 HydrophobicContact CE-CD1 4.05Å; M428-L451 HydrophobicContact SD-CD1 3.87Å; M428-I454 HydrophobicContact CE-CD1 4.12Å; M428-L458 HydrophobicContact CE-CD2 3.93Å; M428-L458 HydrophobicContact SD-CD1 4.32Å; M428-L458 HydrophobicContact SD-CD2 3.99Å; M428-I466 HydrophobicContact CG-CD1 4.21Å; M428-I466 HydrophobicContact SD-CD1 4.34Å; M428-I466 HydrophobicContact SD-CG2 3.85Å
429R95.8Very high95.1Very high141 Ų14164.1 Ų64.153%0.53231%0.305SS..Hα-helixtrans-60.6-44.8173-169.2-173.8-65.1109.1-3111.4Q425 E426 R433Q425-R429 PolarHBondContact O-N 2.67Å; Q425-R429 VanDerWaalsContact O-N 3.07Å; E426-R429 WeakPolarHBondContact O-CB 3.41Å; E426-R429 PolarHBondContact O-N 2.94Å; E426-R429 VanDerWaalsContact O-N 3.15Å; E426-R429 IonicContact OE1-CZ 3.91Å; E426-R429 IonicContact OE1-NH1 2.69Å; E426-R429 PolarHBondContact OE1-NH1 3.16Å; E426-R429 IonicContact OE2-CZ 3.88Å; E426-R429 IonicContact OE2-NH1 2.7Å; E426-R429 PolarHBondContact OE2-NH1 3.35Å; R429-R433 WeakPolarHBondContact O-CB 3.36Å; R429-R433 PolarHBondContact O-N 2.93Å
430H97.3Very high95.2Very high21 Ų2164.5 Ų64.510%0.09730%0.304CS..Hα-helixtrans-65.9-43.8176.7-74.9-73.5000113V393 F396 E426 L427 R433 L434V393-H430 WeakPolarHBondContact CG1-NE2 3.34Å; F396-H430 HydrophobicContact CB-CB 4.13Å; F396-H430 HydrophobicContact CD2-CB 3.61Å; F396-H430 AromaticContact CD2-CD2 3.86Å; F396-H430 AromaticContact CD2-CG 3.45Å; F396-H430 VanDerWaalsContact CD2-CG 3.45Å; F396-H430 AromaticContact CD2-ND1 3.74Å; F396-H430 HydrophobicContact CE2-CB 4.1Å; F396-H430 HydrophobicContact CG-CB 3.86Å; F396-H430 AromaticContact CG-CG 3.97Å; E426-H430 PolarHBondContact O-CD2 3.33Å; E426-H430 VanDerWaalsContact O-CD2 3.24Å; E426-H430 PolarHBondContact O-N 3.41Å; E426-H430 IonicContact OE1-CD2 3.92Å; E426-H430 IonicContact OE1-NE2 3.61Å; L427-H430 PolarHBondContact O-N 3.23Å; H430-R433 PolarHBondContact O-N 3.27Å; H430-L434 WeakPolarHBondContact O-CB 3.33Å; H430-L434 WeakPolarHBondContact O-CG 3.46Å; H430-L434 PolarHBondContact O-N 3.27Å
431F97.5Very high95.4Very high5 Ų558.4 Ų58.42%0.02228%0.278CS..Hα-helixtrans-64-43.7177.6-82.717.3000111.8F396 M411 L427 M428 R433 L434 Q435 T447 C450 L451 I454F396-F431 HydrophobicContact CE1-CE1 4.01Å; F396-F431 HydrophobicContact CZ-CE1 4.29Å; M411-F431 HydrophobicContact CB-CZ 4.08Å; M411-F431 HydrophobicContact CG-CE1 4.13Å; M411-F431 HydrophobicContact CG-CZ 4.08Å; L427-F431 HydrophobicContact CD1-CD1 3.79Å; L427-F431 HydrophobicContact CD1-CE1 3.47Å; L427-F431 VanDerWaalsContact CD1-CE1 3.47Å; L427-F431 HydrophobicContact CD1-CZ 3.98Å; L427-F431 HydrophobicContact CD2-CZ 4.29Å; L427-F431 HydrophobicContact CG-CD1 4.23Å; L427-F431 HydrophobicContact CG-CE1 4.08Å; L427-F431 HydrophobicContact CG-CE2 4.49Å; L427-F431 HydrophobicContact CG-CZ 4.21Å; L427-F431 WeakPolarHBondContact O-CB 3.35Å; L427-F431 PolarHBondContact O-N 2.68Å; M428-F431 HydrophobicContact CE-CD2 4.16Å; M428-F431 PolarHBondContact O-N 3.21Å; F431-R433 VanDerWaalsContact C-N 3.34Å; F431-R433 PolarHBondContact O-N 2.79Å; F431-L434 PolarHBondContact O-N 3.17Å; F431-Q435 VanDerWaalsContact O-CB 3.26Å; F431-Q435 WeakPolarHBondContact O-CB 3.32Å; F431-Q435 PolarHBondContact O-N 2.82Å; F431-T447 HydrophobicContact CB-CG2 3.77Å; F431-T447 HydrophobicContact CD1-CG2 3.88Å; F431-T447 HydrophobicContact CD2-CG2 4.1Å; F431-T447 HydrophobicContact CE1-CG2 4.46Å; F431-T447 HydrophobicContact CG-CG2 3.66Å; F431-C450 HydrophobicContact CE2-CB 4.12Å; F431-C450 HydrophobicContact CZ-CB 4.04Å; F431-L451 HydrophobicContact CD2-CB 4.02Å; F431-L451 HydrophobicContact CD2-CD1 4.25Å; F431-L451 HydrophobicContact CE2-CB 4.24Å; F431-I454 HydrophobicContact CE2-CD1 3.7Å; F431-I454 HydrophobicContact CZ-CD1 4.26Å
432A95.4Very high95.5Very high43 Ų4357.9 Ų57.936%0.35528%0.275SS..Hα-helixtrans-61.1-41.4175.500000112.2M428 A436M428-A432 VanDerWaalsContact O-CB 3.3Å; M428-A432 WeakPolarHBondContact O-CB 3.47Å; M428-A432 PolarHBondContact O-N 2.79Å; A432-A436 VanDerWaalsContact O-CB 3.25Å; A432-A436 WeakPolarHBondContact O-CB 3.38Å; A432-A436 PolarHBondContact O-N 3.45Å; A432-A436 VanDerWaalsContact O-N 3.16Å
433R96.1Very high95.5Very high155 Ų15556.9 Ų56.959%0.58527%0.27SS*.Hα-helixtrans-64.2-48.6175.4178.9176.2173.9167.3-0.9112R429 H430 F431 A436 R437R429-R433 WeakPolarHBondContact O-CB 3.36Å; R429-R433 PolarHBondContact O-N 2.93Å; H430-R433 PolarHBondContact O-N 3.27Å; F431-R433 VanDerWaalsContact C-N 3.34Å; F431-R433 PolarHBondContact O-N 2.79Å; R433-A436 PolarHBondContact O-N 3.26Å; R433-R437 WeakPolarHBondContact O-CB 3.27Å; R433-R437 PolarHBondContact O-N 3.28Å
434L96.5Very high95.6Very high8 Ų858 Ų584%0.04227%0.274CS..Hα-helixtrans-61.8-51179.5-76.8170.8000111.4F396 V408 H430 F431 A436 R437 D438 I443 T447F396-L434 HydrophobicContact CB-CD1 4.22Å; F396-L434 HydrophobicContact CD1-CD1 3.76Å; F396-L434 HydrophobicContact CG-CD1 4.35Å; V408-L434 HydrophobicContact CG2-CD1 3.65Å; H430-L434 WeakPolarHBondContact O-CB 3.33Å; H430-L434 WeakPolarHBondContact O-CG 3.46Å; H430-L434 PolarHBondContact O-N 3.27Å; F431-L434 PolarHBondContact O-N 3.17Å; L434-A436 PolarHBondContact O-N 3.24Å; L434-R437 PolarHBondContact O-N 2.91Å; L434-D438 HydrophobicContact CD2-CB 4.11Å; L434-D438 VanDerWaalsContact CD2-OD2 3.31Å; L434-D438 WeakPolarHBondContact CD2-OD2 3.43Å; L434-D438 VanDerWaalsContact O-CB 3.27Å; L434-D438 WeakPolarHBondContact O-CB 3.46Å; L434-D438 PolarHBondContact O-N 3.21Å; L434-I443 HydrophobicContact CD2-CG2 4.2Å; L434-T447 HydrophobicContact CB-CG2 4.25Å
435Q95.9Very high95.8Very high12 Ų1257.1 Ų57.16%0.05627%0.27CS..Hα-helixtrans-63.3-26.7-178.2-162.3-165.246.400113.2F431 R444 T447 T448 A470F431-Q435 VanDerWaalsContact O-CB 3.26Å; F431-Q435 WeakPolarHBondContact O-CB 3.32Å; F431-Q435 PolarHBondContact O-N 2.82Å; Q435-R444 WeakPolarHBondContact O-CD 3.16Å; Q435-T447 HydrophobicContact CB-CG2 4.43Å; Q435-T448 PolarHBondContact NE2-OG1 2.9Å; Q435-A470 PolarHBondContact NE2-O 3.06Å; Q435-A470 PolarHBondContact OE1-O 3.3Å
436A93.8Very high96Very high53 Ų5352.5 Ų52.544%0.43825%0.249SC..Hα-helixtrans-95.9-28.217900000114.8A432 R433 L434A432-A436 VanDerWaalsContact O-CB 3.25Å; A432-A436 WeakPolarHBondContact O-CB 3.38Å; A432-A436 PolarHBondContact O-N 3.45Å; A432-A436 VanDerWaalsContact O-N 3.16Å; R433-A436 PolarHBondContact O-N 3.26Å; L434-A436 PolarHBondContact O-N 3.24Å
437R93.9Very high96.1Very high206 Ų20649.8 Ų49.878%0.77724%0.236SC*.Hα-helixtrans-134.9-0.4-166.5-56.9-170.5-174.7-136.75.3115.9R433 L434R433-R437 WeakPolarHBondContact O-CB 3.27Å; R433-R437 PolarHBondContact O-N 3.28Å; L434-R437 PolarHBondContact O-N 2.91Å
438D96.6Very high96.1Very high12 Ų1249.8 Ų49.86%0.06424%0.236CC..  trans-73.7128.8170-159.3-45000109.9R404 L434 Q440 I443 R444R404-D438 IonicContact CZ-OD1 3.55Å; R404-D438 IonicContact CZ-OD2 3.51Å; R404-D438 IonicContact NE-OD1 3.89Å; R404-D438 IonicContact NE-OD2 2.6Å; R404-D438 PolarHBondContact NE-OD2 3Å; R404-D438 IonicContact NH2-OD1 2.72Å; R404-D438 PolarHBondContact NH2-OD1 2.89Å; R404-D438 IonicContact NH2-OD2 3.42Å; R404-D438 PolarHBondContact NH2-OD2 3.36Å; L434-D438 HydrophobicContact CD2-CB 4.11Å; L434-D438 VanDerWaalsContact CD2-OD2 3.31Å; L434-D438 WeakPolarHBondContact CD2-OD2 3.43Å; L434-D438 VanDerWaalsContact O-CB 3.27Å; L434-D438 WeakPolarHBondContact O-CB 3.46Å; L434-D438 PolarHBondContact O-N 3.21Å; D438-Q440 PolarHBondContact O-N 2.82Å; D438-Q440 WeakPolarHBondContact OD1-CB 3.46Å; D438-Q440 PolarHBondContact OD1-N 2.86Å; D438-I443 WeakPolarHBondContact OD2-CG2 3.49Å; D438-R444 HydrophobicContact CB-CG 4.19Å; D438-R444 WeakPolarHBondContact O-CD 3.34Å; D438-R444 PolarHBondContact O-NH1 3Å
439E94.7Very high96.2Very high161 Ų16149.2 Ų49.275%0.75223%0.234SC*.SBendtrans-56.4-36.8175.5-62164175.500111.6G441 R444E439-G441 PolarHBondContact O-N 2.74Å; E439-R444 PolarHBondContact O-NH1 2.81Å
440Q96.7Very high96.2Very high78 Ų7842.5 Ų42.536%0.36421%0.208SC..  trans-83.5105.7-169.5-58.1-59.4-34.200111.5P401 D438 P442 I443 R444P401-Q440 HydrophobicContact CB-CG 4.19Å; P401-Q440 HydrophobicContact CG-CG 4.3Å; D438-Q440 PolarHBondContact O-N 2.82Å; D438-Q440 WeakPolarHBondContact OD1-CB 3.46Å; D438-Q440 PolarHBondContact OD1-N 2.86Å; Q440-P442 VanDerWaalsContact C-CD 3.48Å; Q440-P442 VanDerWaalsContact C-N 3.31Å; Q440-I443 HydrophobicContact CB-CB 4.23Å; Q440-I443 HydrophobicContact CB-CD1 3.83Å; Q440-I443 HydrophobicContact CB-CG1 3.81Å; Q440-I443 HydrophobicContact CG-CD1 4.2Å; Q440-I443 PolarHBondContact O-N 3.09Å; Q440-R444 PolarHBondContact O-N 2.85Å
441G95.4Very high96.2Very high8 Ų841.8 Ų41.88%0.08221%0.205CC..Hα-helixtrans-47.7-43.517500000114.7E439 I443 R444 C445 F479E439-G441 PolarHBondContact O-N 2.74Å; G441-I443 VanDerWaalsContact C-N 3.31Å; G441-I443 PolarHBondContact O-N 2.81Å; G441-R444 PolarHBondContact O-N 2.86Å; G441-C445 WeakPolarHBondContact O-CB 3.12Å; G441-C445 PolarHBondContact O-N 2.99Å; G441-F479 VanDerWaalsContact O-CD1 3.22Å; G441-F479 WeakPolarHBondContact O-CD1 3.4Å
442P96Very high96Very high62 Ų6242.3 Ų42.340%0.40321%0.212SC..Hα-helixtrans-56-41172.8-28.837.2000113.4Q440 C445 N446 F479Q440-P442 VanDerWaalsContact C-CD 3.48Å; Q440-P442 VanDerWaalsContact C-N 3.31Å; P442-C445 WeakPolarHBondContact O-CB 3.49Å; P442-C445 PolarHBondContact O-N 3Å; P442-N446 VanDerWaalsContact O-CB 3.23Å; P442-N446 WeakPolarHBondContact O-CB 3.44Å; P442-N446 PolarHBondContact O-N 3.19Å; P442-N446 PolarHBondContact O-ND2 3.45Å; P442-N446 PolarHBondContact O-OD1 2.72Å; P442-F479 HydrophobicContact CG-CE1 4.26Å; P442-F479 HydrophobicContact CG-CZ 4.21Å
443I96.6Very high96Very high4 Ų443.7 Ų43.72%0.02121%0.21CC..Hα-helixtrans-69.9-39-179.3-56.1-177.4000111P401 R404 E405 L434 D438 Q440 G441 N446 T447P401-I443 HydrophobicContact CB-CD1 4.01Å; P401-I443 WeakPolarHBondContact O-CD1 3.48Å; R404-I443 HydrophobicContact CB-CD1 4.02Å; E405-I443 HydrophobicContact CB-CD1 4.32Å; E405-I443 HydrophobicContact CB-CG1 4.18Å; E405-I443 HydrophobicContact CG-CG1 4.28Å; L434-I443 HydrophobicContact CD2-CG2 4.2Å; D438-I443 WeakPolarHBondContact OD2-CG2 3.49Å; Q440-I443 HydrophobicContact CB-CB 4.23Å; Q440-I443 HydrophobicContact CB-CD1 3.83Å; Q440-I443 HydrophobicContact CB-CG1 3.81Å; Q440-I443 HydrophobicContact CG-CD1 4.2Å; Q440-I443 PolarHBondContact O-N 3.09Å; G441-I443 VanDerWaalsContact C-N 3.31Å; G441-I443 PolarHBondContact O-N 2.81Å; I443-N446 PolarHBondContact O-N 2.86Å; I443-T447 WeakPolarHBondContact O-CB 3.38Å; I443-T447 PolarHBondContact O-N 2.74Å; I443-T447 PolarHBondContact O-OG1 3.4Å
444R97.3Very high95.9Very high30 Ų3036.4 Ų36.411%0.11318%0.182CC..Hα-helixtrans-62.8-43.9173.6-58.1-165.9-59.5-90.21.5112.2Q435 D438 E439 Q440 G441 T447 T448 D477Q435-R444 WeakPolarHBondContact O-CD 3.16Å; D438-R444 HydrophobicContact CB-CG 4.19Å; D438-R444 WeakPolarHBondContact O-CD 3.34Å; D438-R444 PolarHBondContact O-NH1 3Å; E439-R444 PolarHBondContact O-NH1 2.81Å; Q440-R444 PolarHBondContact O-N 2.85Å; G441-R444 PolarHBondContact O-N 2.86Å; R444-T447 PolarHBondContact O-N 3Å; R444-T448 PolarHBondContact O-N 3.15Å; R444-T448 VanDerWaalsContact O-N 3.07Å; R444-T448 PolarHBondContact O-OG1 3.27Å; R444-D477 WeakPolarHBondContact CB-OD2 3.49Å; R444-D477 IonicContact CZ-OD1 2.73Å; R444-D477 IonicContact CZ-OD2 2.72Å; R444-D477 IonicContact NE-OD1 3.64Å; R444-D477 PolarHBondContact NE-OD1 2.94Å; R444-D477 IonicContact NE-OD2 3.48Å; R444-D477 PolarHBondContact NE-OD2 3.08Å; R444-D477 IonicContact NH2-OD1 2.68Å; R444-D477 PolarHBondContact NH2-OD1 3.36Å; R444-D477 IonicContact NH2-OD2 3.83Å
445C96.9Very high95.8Very high8 Ų836.1 Ų36.15%0.05418%0.181CC..Hα-helixtrans-59.9-50.1173.2176.30000111.5G441 P442 T447 T448 V449 F479 A481G441-C445 WeakPolarHBondContact O-CB 3.12Å; G441-C445 PolarHBondContact O-N 2.99Å; P442-C445 WeakPolarHBondContact O-CB 3.49Å; P442-C445 PolarHBondContact O-N 3Å; C445-T447 VanDerWaalsContact C-N 3.33Å; C445-T447 PolarHBondContact O-N 3.22Å; C445-T448 WeakPolarHBondContact O-CB 3.35Å; C445-T448 PolarHBondContact O-N 3.39Å; C445-T448 VanDerWaalsContact O-N 3.14Å; C445-V449 WeakPolarHBondContact O-CG2 3.49Å; C445-V449 PolarHBondContact O-N 3.39Å; C445-F479 HydrophobicContact CB-CD1 4.14Å; C445-F479 HydrophobicContact CB-CE1 4.09Å; C445-A481 PolarHBondContact SG-O 2.97Å
446N95.9Very high95.6Very high18 Ų1836.1 Ų36.110%0.09618%0.182CC..Hα-helixtrans-62.7-38.5-179.4-67.5-10.4000112.3E405 V408 P442 I443 V449 C450 L581E405-N446 VanDerWaalsContact CG-ND2 3.33Å; E405-N446 WeakPolarHBondContact CG-ND2 3.42Å; E405-N446 PolarHBondContact OE1-ND2 3.14Å; V408-N446 HydrophobicContact CG1-CB 4.41Å; P442-N446 VanDerWaalsContact O-CB 3.23Å; P442-N446 WeakPolarHBondContact O-CB 3.44Å; P442-N446 PolarHBondContact O-N 3.19Å; P442-N446 PolarHBondContact O-ND2 3.45Å; P442-N446 PolarHBondContact O-OD1 2.72Å; I443-N446 PolarHBondContact O-N 2.86Å; N446-V449 PolarHBondContact O-N 2.87Å; N446-C450 WeakPolarHBondContact O-CB 3.49Å; N446-C450 PolarHBondContact O-N 3.11Å; N446-L581 HydrophobicContact CB-CD1 3.55Å; N446-L581 VanDerWaalsContact ND2-CD1 3.32Å; N446-L581 WeakPolarHBondContact ND2-CD1 3.46Å; N446-L581 VanDerWaalsContact OD1-CD1 3.26Å; N446-L581 WeakPolarHBondContact OD1-CD1 3.42Å
447T97.7Very high95.5Very high2 Ų237.6 Ų37.61%0.01218%0.177CC..Hα-helixtrans-62.7-43.4174.2-560000110.8F431 L434 Q435 I443 R444 C445 C450 L451F431-T447 HydrophobicContact CB-CG2 3.77Å; F431-T447 HydrophobicContact CD1-CG2 3.88Å; F431-T447 HydrophobicContact CD2-CG2 4.1Å; F431-T447 HydrophobicContact CE1-CG2 4.46Å; F431-T447 HydrophobicContact CG-CG2 3.66Å; L434-T447 HydrophobicContact CB-CG2 4.25Å; Q435-T447 HydrophobicContact CB-CG2 4.43Å; I443-T447 WeakPolarHBondContact O-CB 3.38Å; I443-T447 PolarHBondContact O-N 2.74Å; I443-T447 PolarHBondContact O-OG1 3.4Å; R444-T447 PolarHBondContact O-N 3Å; C445-T447 VanDerWaalsContact C-N 3.33Å; C445-T447 PolarHBondContact O-N 3.22Å; T447-C450 PolarHBondContact O-N 3.06Å; T447-L451 WeakPolarHBondContact O-CB 3.43Å; T447-L451 PolarHBondContact O-N 2.83Å
448T97.1Very high95.4Very high0 Ų027.8 Ų27.80%014%0.14CC..Hα-helixtrans-63.1-45.6176.5-54.30000111.8Q435 R444 C445 L451 G452 F471 A474 A485Q435-T448 PolarHBondContact NE2-OG1 2.9Å; R444-T448 PolarHBondContact O-N 3.15Å; R444-T448 VanDerWaalsContact O-N 3.07Å; R444-T448 PolarHBondContact O-OG1 3.27Å; C445-T448 WeakPolarHBondContact O-CB 3.35Å; C445-T448 PolarHBondContact O-N 3.39Å; C445-T448 VanDerWaalsContact O-N 3.14Å; T448-L451 PolarHBondContact O-N 3.21Å; T448-G452 PolarHBondContact O-N 2.97Å; T448-F471 HydrophobicContact CG2-CD1 3.72Å; T448-F471 HydrophobicContact CG2-CE1 3.84Å; T448-A474 HydrophobicContact CG2-CB 3.59Å; T448-A485 HydrophobicContact CG2-CB 4.06Å
449V96.4Very high95.1Very high6 Ų630 Ų304%0.03615%0.152CC..Hα-helixtrans-61.6-42.3174.61700000111.4C445 N446 K453 A485 V574 L577C445-V449 WeakPolarHBondContact O-CG2 3.49Å; C445-V449 PolarHBondContact O-N 3.39Å; N446-V449 PolarHBondContact O-N 2.87Å; V449-K453 PolarHBondContact O-N 2.79Å; V449-A485 HydrophobicContact CG2-CB 3.8Å; V449-V574 HydrophobicContact CG1-CG1 4.03Å; V449-L577 HydrophobicContact CG2-CB 4.24Å; V449-L577 HydrophobicContact CG2-CD1 4.15Å
450C96.6Very high94.8Very high0 Ų023.1 Ų23.10%012%0.122CC..Hα-helixtrans-65-45.4179.1-168.90000111.9V408 L412 F431 N446 T447 G452 K453 I454V408-C450 HydrophobicContact CG1-CB 3.91Å; V408-C450 PolarHBondContact O-SG 3.33Å; L412-C450 HydrophobicContact CD2-CB 4.44Å; F431-C450 HydrophobicContact CE2-CB 4.12Å; F431-C450 HydrophobicContact CZ-CB 4.04Å; N446-C450 WeakPolarHBondContact O-CB 3.49Å; N446-C450 PolarHBondContact O-N 3.11Å; T447-C450 PolarHBondContact O-N 3.06Å; C450-G452 VanDerWaalsContact C-N 3.34Å; C450-G452 PolarHBondContact O-N 2.86Å; C450-K453 PolarHBondContact O-N 3.11Å; C450-K453 VanDerWaalsContact O-N 3.07Å; C450-I454 PolarHBondContact O-N 2.9Å
451L96.6Very high94.3Very high7 Ų722.8 Ų22.84%0.03714%0.14CC..Hα-helixtrans-56.5-46.5177.7179.260.3000111.8M428 F431 T447 T448 K453 I454 A455 L458 I466 L467 A470M428-L451 HydrophobicContact CE-CD1 4.05Å; M428-L451 HydrophobicContact SD-CD1 3.87Å; F431-L451 HydrophobicContact CD2-CB 4.02Å; F431-L451 HydrophobicContact CD2-CD1 4.25Å; F431-L451 HydrophobicContact CE2-CB 4.24Å; T447-L451 WeakPolarHBondContact O-CB 3.43Å; T447-L451 PolarHBondContact O-N 2.83Å; T448-L451 PolarHBondContact O-N 3.21Å; L451-K453 PolarHBondContact O-N 3.41Å; L451-I454 PolarHBondContact O-N 2.99Å; L451-A455 PolarHBondContact O-N 2.88Å; L451-A455 VanDerWaalsContact O-N 3.1Å; L451-L458 HydrophobicContact CD1-CD1 4.09Å; L451-I466 HydrophobicContact CD1-CG2 4.21Å; L451-I466 HydrophobicContact CD2-CG2 4.43Å; L451-L467 HydrophobicContact CD1-CD2 4.31Å; L451-L467 HydrophobicContact CD2-CD2 4.43Å; L451-L467 HydrophobicContact CG-CD2 3.97Å; L451-A470 HydrophobicContact CD2-CB 3.3Å
452G94.8Very high94Very high15 Ų1524.4 Ų24.416%0.15515%0.149CC..Hα-helixtrans-62.9-28.3176.900000114.1T448 C450 A455T448-G452 PolarHBondContact O-N 2.97Å; C450-G452 VanDerWaalsContact C-N 3.34Å; C450-G452 PolarHBondContact O-N 2.86Å; G452-A455 WeakPolarHBondContact O-CB 3.47Å
453K94.1Very high93.8Very high73 Ų7321.6 Ų21.632%0.31713%0.13SC..Hα-helixtrans-83.6-29.9177-78.3-164.7156.1-173.20114.5L412 V449 C450 L451 V574 T578L412-K453 HydrophobicContact CD2-CB 3.54Å; L412-K453 HydrophobicContact CD2-CD 4.06Å; L412-K453 HydrophobicContact CD2-CG 4.38Å; V449-K453 PolarHBondContact O-N 2.79Å; C450-K453 PolarHBondContact O-N 3.11Å; C450-K453 VanDerWaalsContact O-N 3.07Å; L451-K453 PolarHBondContact O-N 3.41Å; K453-V574 HydrophobicContact CD-CG1 4.47Å; K453-V574 HydrophobicContact CG-CG1 4.11Å; K453-T578 HydrophobicContact CD-CG2 4.44Å; K453-T578 VanDerWaalsContact CE-OG1 3.24Å; K453-T578 WeakPolarHBondContact CE-OG1 3.28Å; K453-T578 PolarHBondContact NZ-OG1 2.87Å
454I95Very high93.6Very high2 Ų223.3 Ų23.31%0.0114%0.138CC..Hα-helixtrans-89.6-2.5175.870.6177.7000113.3L412 A415 L423 L427 M428 F431 C450 L451 S456 Y457L412-I454 HydrophobicContact CD2-CG2 4.28Å; A415-I454 HydrophobicContact CB-CB 3.94Å; A415-I454 HydrophobicContact CB-CD1 4.47Å; A415-I454 HydrophobicContact CB-CG2 3.62Å; L423-I454 HydrophobicContact CD1-CD1 4.4Å; L427-I454 HydrophobicContact CD2-CD1 3.66Å; M428-I454 HydrophobicContact CE-CD1 4.12Å; F431-I454 HydrophobicContact CE2-CD1 3.7Å; F431-I454 HydrophobicContact CZ-CD1 4.26Å; C450-I454 PolarHBondContact O-N 2.9Å; L451-I454 PolarHBondContact O-N 2.99Å; I454-S456 PolarHBondContact O-N 2.87Å; I454-S456 VanDerWaalsContact O-N 3.08Å; I454-Y457 HydrophobicContact CB-CD2 4.31Å; I454-Y457 WeakPolarHBondContact O-CD2 3.3Å; I454-Y457 PolarHBondContact O-N 2.96Å
455A93.1Very high93.4Very high1 Ų128.1 Ų28.11%0.00816%0.156CC..G310 helixtrans-50-34.8-177.400000114.8L451 G452 Y457 L458 R463 L467 T493 Y496L451-A455 PolarHBondContact O-N 2.88Å; L451-A455 VanDerWaalsContact O-N 3.1Å; G452-A455 WeakPolarHBondContact O-CB 3.47Å; A455-Y457 PolarHBondContact O-N 2.63Å; A455-L458 PolarHBondContact O-N 2.79Å; A455-R463 WeakPolarHBondContact O-CD 3.39Å; A455-L467 HydrophobicContact CB-CD1 4.01Å; A455-L467 HydrophobicContact CB-CD2 4Å; A455-T493 HydrophobicContact CB-CG2 3.86Å; A455-Y496 HydrophobicContact CB-CD2 4.04Å; A455-Y496 HydrophobicContact CB-CE2 3.82Å
456S91.6Very high93.3Very high12 Ų1229.5 Ų29.58%0.08416%0.162CC..G310 helixtrans-63.2-25.9177.953.20000114.4I454 Y496 Q558I454-S456 PolarHBondContact O-N 2.87Å; I454-S456 VanDerWaalsContact O-N 3.08Å; S456-Y496 WeakPolarHBondContact CA-OH 3.22Å; S456-Y496 WeakPolarHBondContact CB-OH 3.42Å; S456-Q558 WeakPolarHBondContact CB-O 3.45Å
457Y92.1Very high93.3Very high84 Ų8428.6 Ų28.633%0.32916%0.158SC..G310 helixtrans-90.9-13.1-178.8-52.7-72.3000112.7A415 P416 L423 I454 A455A415-Y457 HydrophobicContact CB-CD2 4.43Å; P416-Y457 HydrophobicContact CB-CE1 4.03Å; P416-Y457 HydrophobicContact CG-CE1 4.17Å; P416-Y457 HydrophobicContact CG-CE2 4.01Å; L423-Y457 VanDerWaalsContact CD2-O 3.24Å; L423-Y457 WeakPolarHBondContact CD2-O 3.47Å; I454-Y457 HydrophobicContact CB-CD2 4.31Å; I454-Y457 WeakPolarHBondContact O-CD2 3.3Å; I454-Y457 PolarHBondContact O-N 2.96Å; A455-Y457 PolarHBondContact O-N 2.63Å
458L92.1Very high93.1Very high0 Ų028.6 Ų28.60%016%0.157CC..SBendtrans-69.3148.6177.9-58.2-178.5000111.4L423 N424 M428 L451 A455 A460 R463 I466 S556L423-L458 HydrophobicContact CD1-CD2 4.27Å; L423-L458 HydrophobicContact CG-CD2 4.11Å; N424-L458 WeakPolarHBondContact OD1-CA 3.44Å; M428-L458 HydrophobicContact CE-CD2 3.93Å; M428-L458 HydrophobicContact SD-CD1 4.32Å; M428-L458 HydrophobicContact SD-CD2 3.99Å; L451-L458 HydrophobicContact CD1-CD1 4.09Å; A455-L458 PolarHBondContact O-N 2.79Å; L458-A460 PolarHBondContact O-N 3.47Å; L458-R463 HydrophobicContact CB-CB 3.95Å; L458-R463 HydrophobicContact CB-CG 4.08Å; L458-R463 HydrophobicContact CD1-CG 4.41Å; L458-I466 HydrophobicContact CD1-CG2 4.45Å; L458-S556 PolarHBondContact O-OG 3.02Å
459N91.3Very high93.1Very high60 Ų6030.8 Ų30.832%0.32117%0.173SC..  trans-62.4123.6174.1-177.4-56.1000109.7N424 G461 T462 R463N424-N459 PolarHBondContact OD1-N 2.73Å; N459-G461 PolarHBondContact O-N 2.83Å; N459-G461 VanDerWaalsContact O-N 3.14Å; N459-G461 PolarHBondContact OD1-N 2.98Å; N459-T462 PolarHBondContact O-N 3.47Å; N459-T462 PolarHBondContact O-OG1 2.81Å; N459-R463 VanDerWaalsContact O-CB 3.27Å; N459-R463 WeakPolarHBondContact O-CB 3.39Å; N459-R463 PolarHBondContact O-N 2.81Å
460A87.6Confident93.1Very high15 Ų1530.9 Ų30.912%0.12418%0.175CC..Hα-helixtrans-54.5-37.2-172.800000113.4L458 T462 G554 S556L458-A460 PolarHBondContact O-N 3.47Å; A460-T462 VanDerWaalsContact C-N 3.27Å; A460-T462 PolarHBondContact O-N 3.05Å; A460-G554 WeakPolarHBondContact CB-O 3.38Å; A460-S556 PolarHBondContact N-OG 3Å
461G85.8Confident93.1Very high72 Ų7230.9 Ų30.974%0.74218%0.175SC*.Hα-helixtrans-67.9-19.8-178.600000114.8N459N459-G461 PolarHBondContact O-N 2.83Å; N459-G461 VanDerWaalsContact O-N 3.14Å; N459-G461 PolarHBondContact OD1-N 2.98Å
462T88.8Confident93.1Very high42 Ų4231.7 Ų31.726%0.25818%0.18SC..Hα-helixtrans-113.2-25.9175.7560000113.3N459 A460 Q464 R465 I466N459-T462 PolarHBondContact O-N 3.47Å; N459-T462 PolarHBondContact O-OG1 2.81Å; A460-T462 VanDerWaalsContact C-N 3.27Å; A460-T462 PolarHBondContact O-N 3.05Å; T462-Q464 PolarHBondContact O-N 2.92Å; T462-R465 PolarHBondContact O-N 3.38Å; T462-I466 WeakPolarHBondContact O-CG1 3.5Å; T462-I466 PolarHBondContact O-N 2.88Å
463R92.6Very high93.2Very high2 Ų235.4 Ų35.41%0.00819%0.19CC..Hα-helixtrans-47.1-53.4-178.2177.1175.762.8-159.4-1.1113.2A455 L458 N459 R465 I466 L467 Y496 D552 V553 S555A455-R463 WeakPolarHBondContact O-CD 3.39Å; L458-R463 HydrophobicContact CB-CB 3.95Å; L458-R463 HydrophobicContact CB-CG 4.08Å; L458-R463 HydrophobicContact CD1-CG 4.41Å; N459-R463 VanDerWaalsContact O-CB 3.27Å; N459-R463 WeakPolarHBondContact O-CB 3.39Å; N459-R463 PolarHBondContact O-N 2.81Å; R463-R465 PolarHBondContact O-N 3.02Å; R463-I466 PolarHBondContact O-N 3.48Å; R463-L467 HydrophobicContact CG-CD1 3.65Å; R463-L467 HydrophobicContact CG-CG 4.26Å; R463-L467 WeakPolarHBondContact O-CB 3.17Å; R463-L467 VanDerWaalsContact O-CG 3.26Å; R463-L467 WeakPolarHBondContact O-CG 3.39Å; R463-L467 PolarHBondContact O-N 2.81Å; R463-Y496 VanDerWaalsContact CZ-CD1 3.49Å; R463-D552 PolarHBondContact NH2-O 2.95Å; R463-V553 PolarHBondContact NH2-O 2.78Å; R463-S555 VanDerWaalsContact CZ-O 3.24Å; R463-S555 PolarHBondContact NH1-O 2.84Å; R463-S555 PolarHBondContact NH2-O 2.75Å
464Q92.8Very high93.3Very high40 Ų4032 Ų3219%0.18718%0.175CC..Hα-helixtrans-55-52.2-178-174.7175.7-92.100111.6T462 I466 L467 V468 Y497 E501T462-Q464 PolarHBondContact O-N 2.92Å; Q464-I466 PolarHBondContact O-N 2.99Å; Q464-L467 PolarHBondContact O-N 3.38Å; Q464-V468 WeakPolarHBondContact O-CG2 3.34Å; Q464-V468 PolarHBondContact O-N 3.44Å; Q464-Y497 HydrophobicContact CG-CD1 4.13Å; Q464-E501 HydrophobicContact CG-CG 4.03Å; Q464-E501 VanDerWaalsContact NE2-CG 3.31Å; Q464-E501 PolarHBondContact NE2-OE1 3.39Å
465R92.3Very high93.4Very high131 Ų13132.3 Ų32.349%0.49418%0.177SC..Hα-helixtrans-62.3-42.5179.7-17917462.6166.2-1.8112.5T462 R463 S469T462-R465 PolarHBondContact O-N 3.38Å; R463-R465 PolarHBondContact O-N 3.02Å; R465-S469 VanDerWaalsContact O-CB 3.3Å; R465-S469 WeakPolarHBondContact O-CB 3.29Å; R465-S469 PolarHBondContact O-N 3.46Å; R465-S469 VanDerWaalsContact O-N 3.09Å
466I94.3Very high93.5Very high37 Ų3740.6 Ų40.619%0.1921%0.213CC..Hα-helixtrans-62.1-49.7178.3-69.5166000110.5M428 L451 L458 T462 R463 Q464 S469 A470M428-I466 HydrophobicContact CG-CD1 4.21Å; M428-I466 HydrophobicContact SD-CD1 4.34Å; M428-I466 HydrophobicContact SD-CG2 3.85Å; L451-I466 HydrophobicContact CD1-CG2 4.21Å; L451-I466 HydrophobicContact CD2-CG2 4.43Å; L458-I466 HydrophobicContact CD1-CG2 4.45Å; T462-I466 WeakPolarHBondContact O-CG1 3.5Å; T462-I466 PolarHBondContact O-N 2.88Å; R463-I466 PolarHBondContact O-N 3.48Å; Q464-I466 PolarHBondContact O-N 2.99Å; I466-S469 PolarHBondContact O-N 3.27Å; I466-A470 VanDerWaalsContact O-CB 3.28Å; I466-A470 WeakPolarHBondContact O-CB 3.31Å; I466-A470 PolarHBondContact O-N 3.15Å
467L95.8Very high93.8Very high0 Ų040.6 Ų40.60%021%0.212CC..Hα-helixtrans-66.4-45.6-177.2-64.9174.5000112L451 A455 R463 Q464 S469 A470 F471 T493 Y496 Y497L451-L467 HydrophobicContact CD1-CD2 4.31Å; L451-L467 HydrophobicContact CD2-CD2 4.43Å; L451-L467 HydrophobicContact CG-CD2 3.97Å; A455-L467 HydrophobicContact CB-CD1 4.01Å; A455-L467 HydrophobicContact CB-CD2 4Å; R463-L467 HydrophobicContact CG-CD1 3.65Å; R463-L467 HydrophobicContact CG-CG 4.26Å; R463-L467 WeakPolarHBondContact O-CB 3.17Å; R463-L467 VanDerWaalsContact O-CG 3.26Å; R463-L467 WeakPolarHBondContact O-CG 3.39Å; R463-L467 PolarHBondContact O-N 2.81Å; Q464-L467 PolarHBondContact O-N 3.38Å; L467-S469 PolarHBondContact O-N 3.05Å; L467-A470 PolarHBondContact O-N 3.42Å; L467-F471 HydrophobicContact CB-CD2 4.15Å; L467-F471 HydrophobicContact CB-CE2 3.88Å; L467-F471 HydrophobicContact CD2-CE2 3.76Å; L467-F471 HydrophobicContact CD2-CZ 3.94Å; L467-F471 HydrophobicContact CG-CE2 4.32Å; L467-F471 WeakPolarHBondContact O-CB 3.38Å; L467-F471 WeakPolarHBondContact O-CD2 3.49Å; L467-F471 WeakPolarHBondContact O-CG 3.36Å; L467-F471 PolarHBondContact O-N 3.43Å; L467-T493 HydrophobicContact CD1-CG2 4.18Å; L467-Y496 HydrophobicContact CD1-CD2 4.06Å; L467-Y497 HydrophobicContact CB-CE1 3.93Å; L467-Y497 WeakPolarHBondContact CB-OH 3.37Å
468V95.4Very high94Very high1 Ų141.9 Ų41.91%0.00623%0.231CC..Hα-helixtrans-59-49.3176.4174.70000110.9Q464 A470 S472 F490 Y497 R505 I506Q464-V468 WeakPolarHBondContact O-CG2 3.34Å; Q464-V468 PolarHBondContact O-N 3.44Å; V468-A470 PolarHBondContact O-N 3.3Å; V468-S472 VanDerWaalsContact O-CB 3.27Å; V468-S472 WeakPolarHBondContact O-CB 3.48Å; V468-S472 PolarHBondContact O-N 3.05Å; V468-S472 PolarHBondContact O-OG 2.88Å; V468-F490 HydrophobicContact CG2-CE1 4.49Å; V468-Y497 HydrophobicContact CG2-CD1 3.71Å; V468-Y497 HydrophobicContact CG2-CE1 3.57Å; V468-R505 HydrophobicContact CG1-CB 4.11Å; V468-I506 HydrophobicContact CG2-CD1 4.23Å; V468-I506 HydrophobicContact CG2-CG1 4.22Å
469S95.3Very high94.1Very high46 Ų4645.3 Ų45.332%0.32225%0.246SC..Hα-helixtrans-60.7-47.8180-175.80000112.3R465 I466 L467 R473R465-S469 VanDerWaalsContact O-CB 3.3Å; R465-S469 WeakPolarHBondContact O-CB 3.29Å; R465-S469 PolarHBondContact O-N 3.46Å; R465-S469 VanDerWaalsContact O-N 3.09Å; I466-S469 PolarHBondContact O-N 3.27Å; L467-S469 PolarHBondContact O-N 3.05Å; S469-R473 WeakPolarHBondContact O-CB 3.46Å; S469-R473 PolarHBondContact O-N 2.85Å
470A96.9Very high94.3Very high9 Ų944.7 Ų44.77%0.07425%0.245CC..Hα-helixtrans-69.1-38.8-177.900000113.2Q435 L451 I466 L467 V468 R473 A474Q435-A470 PolarHBondContact NE2-O 3.06Å; Q435-A470 PolarHBondContact OE1-O 3.3Å; L451-A470 HydrophobicContact CD2-CB 3.3Å; I466-A470 VanDerWaalsContact O-CB 3.28Å; I466-A470 WeakPolarHBondContact O-CB 3.31Å; I466-A470 PolarHBondContact O-N 3.15Å; L467-A470 PolarHBondContact O-N 3.42Å; V468-A470 PolarHBondContact O-N 3.3Å; A470-R473 PolarHBondContact O-N 3.32Å; A470-A474 WeakPolarHBondContact O-CB 3.48Å; A470-A474 PolarHBondContact O-N 2.94Å
471F97.8Very high94.7Very high0 Ų045.5 Ų45.50%025%0.252CS..Hα-helixtrans-77.2-37.6178.7-61.4-41.6000112.4T448 L467 R473 A474 T475 G489 F490 T493 Y497T448-F471 HydrophobicContact CG2-CD1 3.72Å; T448-F471 HydrophobicContact CG2-CE1 3.84Å; L467-F471 HydrophobicContact CB-CD2 4.15Å; L467-F471 HydrophobicContact CB-CE2 3.88Å; L467-F471 HydrophobicContact CD2-CE2 3.76Å; L467-F471 HydrophobicContact CD2-CZ 3.94Å; L467-F471 HydrophobicContact CG-CE2 4.32Å; L467-F471 WeakPolarHBondContact O-CB 3.38Å; L467-F471 WeakPolarHBondContact O-CD2 3.49Å; L467-F471 WeakPolarHBondContact O-CG 3.36Å; L467-F471 PolarHBondContact O-N 3.43Å; F471-R473 PolarHBondContact O-N 2.89Å; F471-A474 PolarHBondContact O-N 3.37Å; F471-T475 PolarHBondContact O-N 3.5Å; F471-T475 PolarHBondContact O-OG1 3.45Å; F471-T475 VanDerWaalsContact O-OG1 3.13Å; F471-G489 VanDerWaalsContact CE2-C 3.48Å; F471-F490 HydrophobicContact CB-CD1 4Å; F471-F490 HydrophobicContact CB-CD2 3.57Å; F471-F490 HydrophobicContact CB-CE1 3.82Å; F471-F490 HydrophobicContact CB-CE2 3.38Å; F471-F490 HydrophobicContact CB-CG 3.88Å; F471-F490 HydrophobicContact CB-CZ 3.51Å; F471-F490 HydrophobicContact CD2-CD1 4.02Å; F471-F490 HydrophobicContact CD2-CE1 4.37Å; F471-F490 HydrophobicContact CD2-CG 4.21Å; F471-F490 HydrophobicContact CG-CD1 4.47Å; F471-F490 HydrophobicContact CG-CD2 4.46Å; F471-F490 HydrophobicContact CG-CG 4.39Å; F471-T493 HydrophobicContact CE2-CG2 4.17Å; F471-T493 WeakPolarHBondContact CE2-OG1 3.33Å; F471-T493 HydrophobicContact CZ-CG2 4.41Å; F471-Y497 WeakPolarHBondContact CD2-OH 3.28Å; F471-Y497 WeakPolarHBondContact CE2-OH 3.26Å
472S96.6Very high95.2Very high23 Ų2342.1 Ų42.116%0.16122%0.217CC..Hα-helixtrans-63.1-26.9170.7-70.60000113V468 T475 T509V468-S472 VanDerWaalsContact O-CB 3.27Å; V468-S472 WeakPolarHBondContact O-CB 3.48Å; V468-S472 PolarHBondContact O-N 3.05Å; V468-S472 PolarHBondContact O-OG 2.88Å; S472-T475 WeakPolarHBondContact CA-OG1 3.5Å; S472-T475 PolarHBondContact O-OG1 2.89Å; S472-T509 WeakPolarHBondContact OG-CG2 3.45Å; S472-T509 PolarHBondContact OG-OG1 3.2Å
473R96Very high95.6Very high94 Ų9441.2 Ų41.236%0.35521%0.209SC..Hα-helixtrans-73-49.5169.1-175.7177.6-67.7164-0111.5S469 A470 F471 T475 K476S469-R473 WeakPolarHBondContact O-CB 3.46Å; S469-R473 PolarHBondContact O-N 2.85Å; A470-R473 PolarHBondContact O-N 3.32Å; F471-R473 PolarHBondContact O-N 2.89Å; R473-T475 VanDerWaalsContact C-N 3.3Å; R473-T475 PolarHBondContact O-N 3.38Å; R473-K476 PolarHBondContact O-N 3.33Å
474A96.9Very high95.8Very high1 Ų142.1 Ų42.11%0.00822%0.215CC..Hα-helixtrans-58.6-37.8179.500000113T448 A470 F471 K476 D477 R483T448-A474 HydrophobicContact CG2-CB 3.59Å; A470-A474 WeakPolarHBondContact O-CB 3.48Å; A470-A474 PolarHBondContact O-N 2.94Å; F471-A474 PolarHBondContact O-N 3.37Å; A474-K476 PolarHBondContact O-N 3Å; A474-K476 VanDerWaalsContact O-N 3.08Å; A474-D477 VanDerWaalsContact O-CB 3.27Å; A474-D477 WeakPolarHBondContact O-CB 3.42Å; A474-D477 PolarHBondContact O-N 2.97Å; A474-D477 VanDerWaalsContact O-N 3.09Å; A474-R483 VanDerWaalsContact O-CA 3.31Å; A474-R483 WeakPolarHBondContact O-CA 3.42Å; A474-R483 WeakPolarHBondContact O-CG 3.45Å; A474-R483 PolarHBondContact O-N 2.95Å
475T96.8Very high95.9Very high8 Ų840.3 Ų40.35%0.04921%0.207CC..THydrogen-bonded Turntrans-63-10.817547.20000114.6F471 S472 R473 R483 V487 F490 T509 V513F471-T475 PolarHBondContact O-N 3.5Å; F471-T475 PolarHBondContact O-OG1 3.45Å; F471-T475 VanDerWaalsContact O-OG1 3.13Å; S472-T475 WeakPolarHBondContact CA-OG1 3.5Å; S472-T475 PolarHBondContact O-OG1 2.89Å; R473-T475 VanDerWaalsContact C-N 3.3Å; R473-T475 PolarHBondContact O-N 3.38Å; T475-R483 VanDerWaalsContact O-CD 3.3Å; T475-R483 WeakPolarHBondContact O-CD 3.27Å; T475-V487 HydrophobicContact CG2-CG2 3.92Å; T475-F490 HydrophobicContact CG2-CE2 4.4Å; T475-T509 HydrophobicContact CG2-CG2 4.48Å; T475-T509 WeakPolarHBondContact OG1-CG2 3.5Å; T475-V513 HydrophobicContact CG2-CG2 3.94Å
476K95.8Very high96.2Very high176 Ų17634.1 Ų34.177%0.76518%0.184SC*.THydrogen-bonded Turntrans-107.62.9176.5-61.1179.3-179.8-1760113.4R473 A474R473-K476 PolarHBondContact O-N 3.33Å; A474-K476 PolarHBondContact O-N 3Å; A474-K476 VanDerWaalsContact O-N 3.08Å
477D97.1Very high96.3Very high12 Ų1232.3 Ų32.36%0.06418%0.175CC..  trans-67136.2-177.9-170.7-41.9000111.6R444 A474 F479 S482 R483R444-D477 WeakPolarHBondContact CB-OD2 3.49Å; R444-D477 IonicContact CZ-OD1 2.73Å; R444-D477 IonicContact CZ-OD2 2.72Å; R444-D477 IonicContact NE-OD1 3.64Å; R444-D477 PolarHBondContact NE-OD1 2.94Å; R444-D477 IonicContact NE-OD2 3.48Å; R444-D477 PolarHBondContact NE-OD2 3.08Å; R444-D477 IonicContact NH2-OD1 2.68Å; R444-D477 PolarHBondContact NH2-OD1 3.36Å; R444-D477 IonicContact NH2-OD2 3.83Å; A474-D477 VanDerWaalsContact O-CB 3.27Å; A474-D477 WeakPolarHBondContact O-CB 3.42Å; A474-D477 PolarHBondContact O-N 2.97Å; A474-D477 VanDerWaalsContact O-N 3.09Å; D477-F479 PolarHBondContact O-N 3.34Å; D477-F479 VanDerWaalsContact O-N 3.11Å; D477-F479 WeakPolarHBondContact OD1-CB 3.26Å; D477-F479 PolarHBondContact OD1-N 3.04Å; D477-S482 VanDerWaalsContact CG-OG 3.3Å; D477-S482 WeakPolarHBondContact OD2-CB 3.39Å; D477-S482 PolarHBondContact OD2-OG 2.88Å; D477-R483 HydrophobicContact CB-CG 4.27Å; D477-R483 WeakPolarHBondContact O-CD 3.42Å; D477-R483 WeakPolarHBondContact O-CG 3.46Å; D477-R483 PolarHBondContact O-NH1 3.39Å
478P95.7Very high96.3Very high111 Ų11132.7 Ų32.772%0.72118%0.177SC*.SBendtrans-57.2-25.4175.322-33.8000114P480 R483P478-P480 WeakPolarHBondContact O-CD 3.44Å; P478-R483 VanDerWaalsContact C-NH1 3.3Å; P478-R483 PolarHBondContact O-NH1 3.41Å
479F95.7Very high96.3Very high71 Ų7132.8 Ų32.831%0.31118%0.178SC..SBendtrans-83.8116179.5-173.7-130.5000112.3G441 P442 C445 D477 A481 S482 R483G441-F479 VanDerWaalsContact O-CD1 3.22Å; G441-F479 WeakPolarHBondContact O-CD1 3.4Å; P442-F479 HydrophobicContact CG-CE1 4.26Å; P442-F479 HydrophobicContact CG-CZ 4.21Å; C445-F479 HydrophobicContact CB-CD1 4.14Å; C445-F479 HydrophobicContact CB-CE1 4.09Å; D477-F479 PolarHBondContact O-N 3.34Å; D477-F479 VanDerWaalsContact O-N 3.11Å; D477-F479 WeakPolarHBondContact OD1-CB 3.26Å; D477-F479 PolarHBondContact OD1-N 3.04Å; F479-A481 VanDerWaalsContact C-N 3.3Å; F479-A481 HydrophobicContact CD1-CB 4.12Å; F479-A481 HydrophobicContact CE1-CB 3.67Å; F479-A481 HydrophobicContact CZ-CB 3.95Å; F479-A481 PolarHBondContact O-N 2.94Å; F479-A481 VanDerWaalsContact O-N 3.17Å; F479-S482 VanDerWaalsContact O-CB 3.31Å; F479-S482 WeakPolarHBondContact O-CB 3.38Å; F479-S482 PolarHBondContact O-N 3.47Å; F479-R483 PolarHBondContact O-N 3.46Å
480P95.6Very high96.4Very high47 Ų4730.6 Ų30.631%0.30516%0.163SC..Hα-helixtrans-60.6-30.8-172-25.334.3000115.4P478 S482 R483 S484 D518 V521P478-P480 WeakPolarHBondContact O-CD 3.44Å; P480-S482 VanDerWaalsContact C-N 3.33Å; P480-R483 PolarHBondContact O-N 3.02Å; P480-S484 WeakPolarHBondContact O-CB 3.48Å; P480-S484 PolarHBondContact O-N 2.9Å; P480-S484 PolarHBondContact O-OG 3.2Å; P480-D518 HydrophobicContact CB-CB 4.07Å; P480-V521 HydrophobicContact CB-CG2 4.27Å; P480-V521 WeakPolarHBondContact O-CG2 3.38Å
481A95.3Very high96.2Very high33 Ų3330.2 Ų30.227%0.27316%0.159SC..Hα-helixtrans-69.7-30.9175.600000112.3C445 F479 S484 A485C445-A481 PolarHBondContact SG-O 2.97Å; F479-A481 VanDerWaalsContact C-N 3.3Å; F479-A481 HydrophobicContact CD1-CB 4.12Å; F479-A481 HydrophobicContact CE1-CB 3.67Å; F479-A481 HydrophobicContact CZ-CB 3.95Å; F479-A481 PolarHBondContact O-N 2.94Å; F479-A481 VanDerWaalsContact O-N 3.17Å; A481-S484 WeakPolarHBondContact O-CB 3.41Å; A481-S484 PolarHBondContact O-N 3.47Å; A481-A485 WeakPolarHBondContact O-CB 3.43Å; A481-A485 PolarHBondContact O-N 2.89Å
482S96.1Very high95.9Very high0 Ų031.5 Ų31.50%017%0.17CC..Hα-helixtrans-69-40.8173.5-165.10000111.1D477 F479 P480 A485 G486D477-S482 VanDerWaalsContact CG-OG 3.3Å; D477-S482 WeakPolarHBondContact OD2-CB 3.39Å; D477-S482 PolarHBondContact OD2-OG 2.88Å; F479-S482 VanDerWaalsContact O-CB 3.31Å; F479-S482 WeakPolarHBondContact O-CB 3.38Å; F479-S482 PolarHBondContact O-N 3.47Å; P480-S482 VanDerWaalsContact C-N 3.33Å; S482-A485 WeakPolarHBondContact O-CB 3.42Å; S482-A485 PolarHBondContact O-N 3.44Å; S482-G486 PolarHBondContact O-N 3.17Å
483R97.3Very high95.8Very high24 Ų2430.5 Ų30.59%0.09116%0.163CC..Hα-helixtrans-62.3-43.7171.7-57-164-62-85.39.2112.2A474 T475 D477 P478 F479 P480 A485 G486 V487 D516 V521A474-R483 VanDerWaalsContact O-CA 3.31Å; A474-R483 WeakPolarHBondContact O-CA 3.42Å; A474-R483 WeakPolarHBondContact O-CG 3.45Å; A474-R483 PolarHBondContact O-N 2.95Å; T475-R483 VanDerWaalsContact O-CD 3.3Å; T475-R483 WeakPolarHBondContact O-CD 3.27Å; D477-R483 HydrophobicContact CB-CG 4.27Å; D477-R483 WeakPolarHBondContact O-CD 3.42Å; D477-R483 WeakPolarHBondContact O-CG 3.46Å; D477-R483 PolarHBondContact O-NH1 3.39Å; P478-R483 VanDerWaalsContact C-NH1 3.3Å; P478-R483 PolarHBondContact O-NH1 3.41Å; F479-R483 PolarHBondContact O-N 3.46Å; P480-R483 PolarHBondContact O-N 3.02Å; R483-A485 VanDerWaalsContact C-N 3.31Å; R483-A485 PolarHBondContact O-N 2.94Å; R483-G486 PolarHBondContact O-N 2.9Å; R483-G486 VanDerWaalsContact O-N 3.17Å; R483-V487 PolarHBondContact O-N 2.76Å; R483-V487 VanDerWaalsContact O-N 3.08Å; R483-D516 WeakPolarHBondContact CD-OD2 3.31Å; R483-D516 IonicContact CZ-OD1 2.75Å; R483-D516 IonicContact CZ-OD2 2.79Å; R483-D516 IonicContact NE-OD1 3.34Å; R483-D516 PolarHBondContact NE-OD1 3.37Å; R483-D516 IonicContact NE-OD2 3.56Å; R483-D516 PolarHBondContact NE-OD2 3.43Å; R483-D516 IonicContact NH2-OD1 3.92Å; R483-D516 PolarHBondContact NH2-OD1 3.42Å; R483-D516 IonicContact NH2-OD2 3.68Å; R483-V521 HydrophobicContact CB-CG1 4.13Å; R483-V521 HydrophobicContact CB-CG2 4.18Å
484S96Very high95.5Very high20 Ų2026.5 Ų26.514%0.1415%0.148CC..Hα-helixtrans-58.3-42.2172.5-60.90000112P480 A481 V487 L488 V521P480-S484 WeakPolarHBondContact O-CB 3.48Å; P480-S484 PolarHBondContact O-N 2.9Å; P480-S484 PolarHBondContact O-OG 3.2Å; A481-S484 WeakPolarHBondContact O-CB 3.41Å; A481-S484 PolarHBondContact O-N 3.47Å; S484-V487 PolarHBondContact O-N 3.26Å; S484-L488 WeakPolarHBondContact O-CB 3.43Å; S484-L488 VanDerWaalsContact O-CG 3.31Å; S484-L488 WeakPolarHBondContact O-CG 3.34Å; S484-L488 PolarHBondContact O-N 2.83Å; S484-V521 VanDerWaalsContact OG-CG2 3.31Å; S484-V521 WeakPolarHBondContact OG-CG2 3.41Å
485A96.2Very high95.2Very high3 Ų327.5 Ų27.53%0.02515%0.153CC..Hα-helixtrans-67.2-32.6176.400000112.8T448 V449 A481 S482 R483 G489 L577T448-A485 HydrophobicContact CG2-CB 4.06Å; V449-A485 HydrophobicContact CG2-CB 3.8Å; A481-A485 WeakPolarHBondContact O-CB 3.43Å; A481-A485 PolarHBondContact O-N 2.89Å; S482-A485 WeakPolarHBondContact O-CB 3.42Å; S482-A485 PolarHBondContact O-N 3.44Å; R483-A485 VanDerWaalsContact C-N 3.31Å; R483-A485 PolarHBondContact O-N 2.94Å; A485-G489 WeakPolarHBondContact O-CA 3.4Å; A485-G489 PolarHBondContact O-N 3.34Å; A485-L577 HydrophobicContact CB-CD1 4.32Å
486G97.2Very high94.9Very high0 Ų028.3 Ų28.30%016%0.156CC..Hα-helixtrans-63.4-51171.200000112.4S482 R483 G489 F490S482-G486 PolarHBondContact O-N 3.17Å; R483-G486 PolarHBondContact O-N 2.9Å; R483-G486 VanDerWaalsContact O-N 3.17Å; G486-G489 PolarHBondContact O-N 3.03Å; G486-F490 WeakPolarHBondContact O-CD2 3.46Å; G486-F490 PolarHBondContact O-N 3.01Å
487V97.4Very high94.8Very high0 Ų020 Ų200%012%0.119CC..Hα-helixtrans-60.6-47.4177.2175.50000112T475 R483 S484 G489 F490 A491 L510 V513 Q524 A528T475-V487 HydrophobicContact CG2-CG2 3.92Å; R483-V487 PolarHBondContact O-N 2.76Å; R483-V487 VanDerWaalsContact O-N 3.08Å; S484-V487 PolarHBondContact O-N 3.26Å; V487-G489 VanDerWaalsContact C-N 3.31Å; V487-F490 PolarHBondContact O-N 3.13Å; V487-A491 PolarHBondContact O-N 3.38Å; V487-A491 VanDerWaalsContact O-N 3.15Å; V487-L510 HydrophobicContact CB-CD2 4.36Å; V487-L510 HydrophobicContact CG1-CD2 4.07Å; V487-L510 HydrophobicContact CG2-CD2 4.05Å; V487-V513 HydrophobicContact CG2-CG1 3.87Å; V487-Q524 HydrophobicContact CB-CB 4.48Å; V487-Q524 HydrophobicContact CG1-CB 3.8Å; V487-A528 HydrophobicContact CG1-CB 3.83Å
488L95.1Very high94.6Very high8 Ų820.3 Ų20.34%0.04212%0.123CC..Hα-helixtrans-69.2-30.9178.2-71.1169.7000112S484 A491 A492 Q524 W569 A570 V574 L577S484-L488 WeakPolarHBondContact O-CB 3.43Å; S484-L488 VanDerWaalsContact O-CG 3.31Å; S484-L488 WeakPolarHBondContact O-CG 3.34Å; S484-L488 PolarHBondContact O-N 2.83Å; L488-A491 PolarHBondContact O-N 3.49Å; L488-A492 VanDerWaalsContact O-CB 3.26Å; L488-A492 WeakPolarHBondContact O-CB 3.46Å; L488-A492 PolarHBondContact O-N 2.96Å; L488-Q524 HydrophobicContact CD2-CG 4.37Å; L488-Q524 HydrophobicContact CG-CG 4.4Å; L488-W569 HydrophobicContact CD2-CE3 4.44Å; L488-W569 HydrophobicContact CD2-CZ3 3.76Å; L488-A570 HydrophobicContact CD2-CB 4.25Å; L488-V574 HydrophobicContact CB-CG2 3.74Å; L488-L577 HydrophobicContact CD1-CD1 3.84Å
489G95.8Very high94.4Very high3 Ų316.3 Ų16.33%0.03110%0.095CC..Hα-helixtrans-60.6-53.1172.800000111.6F471 A485 G486 V487 A491 A492 T493F471-G489 VanDerWaalsContact CE2-C 3.48Å; A485-G489 WeakPolarHBondContact O-CA 3.4Å; A485-G489 PolarHBondContact O-N 3.34Å; G486-G489 PolarHBondContact O-N 3.03Å; V487-G489 VanDerWaalsContact C-N 3.31Å; G489-A491 PolarHBondContact O-N 2.8Å; G489-A492 PolarHBondContact O-N 3.08Å; G489-T493 WeakPolarHBondContact O-CB 3.2Å; G489-T493 PolarHBondContact O-N 2.86Å; G489-T493 PolarHBondContact O-OG1 3.33Å
490F96.7Very high94.2Very high0 Ų017.9 Ų17.90%011%0.11CC..Hα-helixtrans-51.9-54.1172-81.9-60.5000111.8V468 F471 T475 G486 V487 A492 T493 H494 Y497 I506 T509 L510 F532V468-F490 HydrophobicContact CG2-CE1 4.49Å; F471-F490 HydrophobicContact CB-CD1 4Å; F471-F490 HydrophobicContact CB-CD2 3.57Å; F471-F490 HydrophobicContact CB-CE1 3.82Å; F471-F490 HydrophobicContact CB-CE2 3.38Å; F471-F490 HydrophobicContact CB-CG 3.88Å; F471-F490 HydrophobicContact CB-CZ 3.51Å; F471-F490 HydrophobicContact CD2-CD1 4.02Å; F471-F490 HydrophobicContact CD2-CE1 4.37Å; F471-F490 HydrophobicContact CD2-CG 4.21Å; F471-F490 HydrophobicContact CG-CD1 4.47Å; F471-F490 HydrophobicContact CG-CD2 4.46Å; F471-F490 HydrophobicContact CG-CG 4.39Å; T475-F490 HydrophobicContact CG2-CE2 4.4Å; G486-F490 WeakPolarHBondContact O-CD2 3.46Å; G486-F490 PolarHBondContact O-N 3.01Å; V487-F490 PolarHBondContact O-N 3.13Å; F490-A492 PolarHBondContact O-N 3.44Å; F490-T493 CarbonylContact O-C 3.26Å; F490-T493 PolarHBondContact O-N 3.08Å; F490-T493 PolarHBondContact O-OG1 3.38Å; F490-H494 PolarHBondContact O-N 3.46Å; F490-Y497 HydrophobicContact CD1-CE2 4.39Å; F490-I506 HydrophobicContact CB-CG2 4.39Å; F490-I506 HydrophobicContact CD1-CB 4.46Å; F490-I506 HydrophobicContact CD1-CD1 4.15Å; F490-I506 HydrophobicContact CD1-CG1 4.13Å; F490-I506 HydrophobicContact CD1-CG2 3.63Å; F490-I506 HydrophobicContact CE1-CB 4.33Å; F490-I506 HydrophobicContact CE1-CD1 4.22Å; F490-I506 HydrophobicContact CE1-CG1 3.82Å; F490-I506 HydrophobicContact CE1-CG2 3.9Å; F490-I506 HydrophobicContact CG-CG2 3.98Å; F490-I506 HydrophobicContact CZ-CG2 4.46Å; F490-T509 HydrophobicContact CE2-CG2 4.02Å; F490-T509 HydrophobicContact CZ-CG2 4.37Å; F490-L510 HydrophobicContact CD2-CD2 4.1Å; F490-F532 HydrophobicContact CB-CE2 4.15Å; F490-F532 HydrophobicContact CB-CZ 4.35Å
491A94Very high94.1Very high0 Ų017.4 Ų17.40%010%0.104CC..Hα-helixtrans-63.8-44.2-176.300000112.6V487 L488 G489 T493 H494 A528 A567 W569 A570V487-A491 PolarHBondContact O-N 3.38Å; V487-A491 VanDerWaalsContact O-N 3.15Å; L488-A491 PolarHBondContact O-N 3.49Å; G489-A491 PolarHBondContact O-N 2.8Å; A491-T493 VanDerWaalsContact C-N 3.29Å; A491-T493 PolarHBondContact O-N 2.92Å; A491-H494 VanDerWaalsContact O-CB 3.31Å; A491-H494 WeakPolarHBondContact O-CB 3.5Å; A491-H494 PolarHBondContact O-N 3.39Å; A491-H494 PolarHBondContact O-ND1 2.89Å; A491-A528 HydrophobicContact CB-CB 4.23Å; A491-A567 WeakPolarHBondContact O-CB 3.23Å; A491-W569 HydrophobicContact CB-CH2 4.07Å; A491-W569 HydrophobicContact CB-CZ2 4.08Å; A491-A570 HydrophobicContact CB-CB 3.46Å; A491-A570 VanDerWaalsContact CB-CB 3.46Å
492A91.6Very high94Very high27 Ų2715.9 Ų15.922%0.2239%0.091CC..Hα-helixtrans-64.3-33177.800000112.8L488 G489 F490 V571 V574L488-A492 VanDerWaalsContact O-CB 3.26Å; L488-A492 WeakPolarHBondContact O-CB 3.46Å; L488-A492 PolarHBondContact O-N 2.96Å; G489-A492 PolarHBondContact O-N 3.08Å; F490-A492 PolarHBondContact O-N 3.44Å; A492-V571 HydrophobicContact CB-CG2 4.42Å; A492-V574 HydrophobicContact CB-CG2 3.83Å
493T93.8Very high94Very high2 Ų218.3 Ų18.31%0.01211%0.111CC..THydrogen-bonded Turntrans-9212.8-179.354.40000114.2A455 L467 F471 G489 F490 A491 N495 Y496 Y497A455-T493 HydrophobicContact CB-CG2 3.86Å; L467-T493 HydrophobicContact CD1-CG2 4.18Å; F471-T493 HydrophobicContact CE2-CG2 4.17Å; F471-T493 WeakPolarHBondContact CE2-OG1 3.33Å; F471-T493 HydrophobicContact CZ-CG2 4.41Å; G489-T493 WeakPolarHBondContact O-CB 3.2Å; G489-T493 PolarHBondContact O-N 2.86Å; G489-T493 PolarHBondContact O-OG1 3.33Å; F490-T493 CarbonylContact O-C 3.26Å; F490-T493 PolarHBondContact O-N 3.08Å; F490-T493 PolarHBondContact O-OG1 3.38Å; A491-T493 VanDerWaalsContact C-N 3.29Å; A491-T493 PolarHBondContact O-N 2.92Å; T493-N495 PolarHBondContact O-N 2.77Å; T493-Y496 HydrophobicContact CG2-CD2 4.26Å; T493-Y496 PolarHBondContact O-N 2.84Å; T493-Y497 VanDerWaalsContact O-CE2 3.3Å; T493-Y497 WeakPolarHBondContact O-CE2 3.44Å; T493-Y497 WeakPolarHBondContact OG1-CE2 3.24Å; T493-Y497 PolarHBondContact OG1-OH 3.04Å
494H90.3Very high93.8Very high10 Ų1020.3 Ų20.35%0.04613%0.133CC..G310 helixtrans-51.4-19.8-172.270.1-43.1000117.3F490 A491 F532 K535F490-H494 PolarHBondContact O-N 3.46Å; A491-H494 VanDerWaalsContact O-CB 3.31Å; A491-H494 WeakPolarHBondContact O-CB 3.5Å; A491-H494 PolarHBondContact O-N 3.39Å; A491-H494 PolarHBondContact O-ND1 2.89Å; H494-F532 HydrophobicContact CB-CE1 3.83Å; H494-F532 HydrophobicContact CB-CZ 4.04Å; H494-K535 PolarHBondContact O-NZ 2.86Å
495N89.8Confident93.8Very high23 Ų2324.9 Ų24.912%0.12315%0.147CC..G310 helixtrans-79.7-15.1177-69.32.8000113.9T493 D552 V553 S563T493-N495 PolarHBondContact O-N 2.77Å; N495-D552 HydrophobicContact CB-CB 3.96Å; N495-D552 CarbonylContact O-C 3.5Å; N495-V553 WeakPolarHBondContact O-CG2 3.19Å; N495-V553 PolarHBondContact O-N 3.44Å; N495-S563 PolarHBondContact ND2-OG 3.2Å
496Y91.7Very high93.8Very high25 Ų2524.7 Ų24.710%0.09815%0.146CC..G310 helixtrans-97.914.8-175.3-53-40.9000113.9A455 S456 R463 L467 T493A455-Y496 HydrophobicContact CB-CD2 4.04Å; A455-Y496 HydrophobicContact CB-CE2 3.82Å; S456-Y496 WeakPolarHBondContact CA-OH 3.22Å; S456-Y496 WeakPolarHBondContact CB-OH 3.42Å; R463-Y496 VanDerWaalsContact CZ-CD1 3.49Å; L467-Y496 HydrophobicContact CD1-CD2 4.06Å; T493-Y496 HydrophobicContact CG2-CD2 4.26Å; T493-Y496 PolarHBondContact O-N 2.84Å
497Y92.8Very high93.7Very high0 Ų025.5 Ų25.50%015%0.15CC..SBendtrans-123.9134.9177.6-48.4-70.5000111.1Q464 L467 V468 F471 F490 T493 I506 F532 V553Q464-Y497 HydrophobicContact CG-CD1 4.13Å; L467-Y497 HydrophobicContact CB-CE1 3.93Å; L467-Y497 WeakPolarHBondContact CB-OH 3.37Å; V468-Y497 HydrophobicContact CG2-CD1 3.71Å; V468-Y497 HydrophobicContact CG2-CE1 3.57Å; F471-Y497 WeakPolarHBondContact CD2-OH 3.28Å; F471-Y497 WeakPolarHBondContact CE2-OH 3.26Å; F490-Y497 HydrophobicContact CD1-CE2 4.39Å; T493-Y497 VanDerWaalsContact O-CE2 3.3Å; T493-Y497 WeakPolarHBondContact O-CE2 3.44Å; T493-Y497 WeakPolarHBondContact OG1-CE2 3.24Å; T493-Y497 PolarHBondContact OG1-OH 3.04Å; Y497-I506 HydrophobicContact CD1-CD1 3.48Å; Y497-I506 VanDerWaalsContact CD1-CD1 3.48Å; Y497-I506 HydrophobicContact CD2-CD1 3.62Å; Y497-I506 HydrophobicContact CE1-CD1 3.91Å; Y497-I506 HydrophobicContact CE2-CD1 4.04Å; Y497-I506 HydrophobicContact CG-CD1 3.32Å; Y497-F532 HydrophobicContact CD2-CE1 4.38Å; Y497-F532 HydrophobicContact CD2-CZ 4.48Å; Y497-V553 VanDerWaalsContact C-CG2 3.47Å; Y497-V553 WeakPolarHBondContact O-CG2 3.3Å
498S92.4Very high93.7Very high19 Ų1928.9 Ų28.913%0.13317%0.172CC..  trans-65.1157166.767.90000112.1T500 E501 I502 E550S498-T500 PolarHBondContact O-N 3.37Å; S498-E501 PolarHBondContact O-N 3.34Å; S498-E501 VanDerWaalsContact O-N 3.15Å; S498-E501 PolarHBondContact OG-N 2.95Å; S498-I502 WeakPolarHBondContact O-CG1 3.49Å; S498-I502 PolarHBondContact O-N 2.93Å; S498-E550 WeakPolarHBondContact CA-OE1 3.28Å; S498-E550 VanDerWaalsContact CB-OE1 3.23Å; S498-E550 WeakPolarHBondContact CB-OE1 3.38Å
499I92.1Very high93.8Very high27 Ų2729.9 Ų29.914%0.13818%0.178CC..Hα-helixtrans-54.4-38172-64.5-59.4000110.5I502 A503 K535 L536 V539 I549 E550I499-I502 HydrophobicContact CD1-CD1 4.48Å; I499-I502 PolarHBondContact O-N 3.23Å; I499-A503 PolarHBondContact O-N 2.82Å; I499-A503 VanDerWaalsContact O-N 3.09Å; I499-K535 HydrophobicContact CD1-CG 4.34Å; I499-L536 HydrophobicContact CB-CD2 4.41Å; I499-L536 HydrophobicContact CD1-CD2 4.15Å; I499-L536 HydrophobicContact CG2-CD2 3.68Å; I499-V539 HydrophobicContact CD1-CB 4.43Å; I499-V539 HydrophobicContact CD1-CG2 3.76Å; I499-V539 HydrophobicContact CG1-CG2 4.11Å; I499-I549 HydrophobicContact CD1-CG2 4.03Å; I499-E550 WeakPolarHBondContact CB-OE1 3.44Å; I499-E550 HydrophobicContact CG1-CG 4.25Å; I499-E550 WeakPolarHBondContact CG1-OE1 3.29Å; I499-E550 PolarHBondContact N-OE1 2.94Å
500T91.8Very high93.8Very high104 Ų10429.7 Ų29.764%0.63818%0.177SC*.Hα-helixtrans-62.3-47.1175.4-47.90000112.6S498 A503 A504S498-T500 PolarHBondContact O-N 3.37Å; T500-A503 PolarHBondContact O-N 3.01Å; T500-A504 WeakPolarHBondContact O-CB 3.28Å; T500-A504 PolarHBondContact O-N 3.01Å
501E92.8Very high93.9Very high38 Ų3832.8 Ų32.818%0.17820%0.198CC..Hα-helixtrans-66.7-39177.5-73.5-71.1-174.700112.4Q464 S498 A503 A504 R505 I506Q464-E501 HydrophobicContact CG-CG 4.03Å; Q464-E501 VanDerWaalsContact NE2-CG 3.31Å; Q464-E501 PolarHBondContact NE2-OE1 3.39Å; S498-E501 PolarHBondContact O-N 3.34Å; S498-E501 VanDerWaalsContact O-N 3.15Å; S498-E501 PolarHBondContact OG-N 2.95Å; E501-A503 VanDerWaalsContact C-N 3.31Å; E501-A503 PolarHBondContact O-N 3.23Å; E501-A504 PolarHBondContact O-N 3.12Å; E501-R505 PolarHBondContact O-N 2.99Å; E501-R505 WeakPolarHBondContact OE2-CD 3.43Å; E501-R505 WeakPolarHBondContact OE2-CG 3.46Å; E501-I506 PolarHBondContact O-N 3.32Å
502I94.1Very high94Very high0 Ų036.1 Ų36.10%023%0.225CC..Iπ-helixtrans-57.7-47.2177.6-68.8164.2000110S498 I499 I506 L507 F532 K535 L536S498-I502 WeakPolarHBondContact O-CG1 3.49Å; S498-I502 PolarHBondContact O-N 2.93Å; I499-I502 HydrophobicContact CD1-CD1 4.48Å; I499-I502 PolarHBondContact O-N 3.23Å; I502-I506 HydrophobicContact CG1-CD1 4.14Å; I502-L507 HydrophobicContact CG2-CD1 4.19Å; I502-L507 HydrophobicContact CG2-CG 4.33Å; I502-L507 WeakPolarHBondContact O-CB 3.49Å; I502-L507 WeakPolarHBondContact O-CG 3.43Å; I502-L507 PolarHBondContact O-N 3.38Å; I502-F532 HydrophobicContact CB-CD1 4.4Å; I502-F532 HydrophobicContact CD1-CD1 4Å; I502-F532 HydrophobicContact CD1-CE1 4.18Å; I502-F532 HydrophobicContact CG1-CD1 3.86Å; I502-F532 HydrophobicContact CG1-CE1 3.98Å; I502-F532 HydrophobicContact CG2-CB 3.88Å; I502-F532 HydrophobicContact CG2-CD1 3.64Å; I502-F532 HydrophobicContact CG2-CG 4.06Å; I502-K535 HydrophobicContact CD1-CD 3.9Å; I502-K535 HydrophobicContact CD1-CG 4.45Å; I502-L536 HydrophobicContact CB-CD2 4.17Å; I502-L536 HydrophobicContact CG2-CD1 4.21Å; I502-L536 HydrophobicContact CG2-CD2 3.83Å; I502-L536 HydrophobicContact CG2-CG 3.95Å
503A94.6Very high94.2Very high51 Ų5135.2 Ų35.242%0.42122%0.217SC..Iπ-helixtrans-73.1-44.3178.100000113.4I499 T500 E501 P508 L536I499-A503 PolarHBondContact O-N 2.82Å; I499-A503 VanDerWaalsContact O-N 3.09Å; T500-A503 PolarHBondContact O-N 3.01Å; E501-A503 VanDerWaalsContact C-N 3.31Å; E501-A503 PolarHBondContact O-N 3.23Å; A503-P508 VanDerWaalsContact O-CD 3.29Å; A503-P508 WeakPolarHBondContact O-CD 3.4Å; A503-L536 HydrophobicContact CB-CD1 4.21Å
504A95Very high94.4Very high66 Ų6636.6 Ų36.655%0.54523%0.226SC..Iπ-helixtrans-85.5-27.8-168.800000115T500 E501T500-A504 WeakPolarHBondContact O-CB 3.28Å; T500-A504 PolarHBondContact O-N 3.01Å; E501-A504 PolarHBondContact O-N 3.12Å
505R94.8Very high94.7Very high116 Ų11641.9 Ų41.944%0.43826%0.258SS..Iπ-helixtrans-128.8-43.4-175.1-61.3-171.878.5165.73.1114V468 E501 T509V468-R505 HydrophobicContact CG1-CB 4.11Å; E501-R505 PolarHBondContact O-N 2.99Å; E501-R505 WeakPolarHBondContact OE2-CD 3.43Å; E501-R505 WeakPolarHBondContact OE2-CG 3.46Å; R505-T509 WeakPolarHBondContact O-CB 3.47Å; R505-T509 PolarHBondContact O-N 2.92Å; R505-T509 VanDerWaalsContact O-N 3.13Å; R505-T509 PolarHBondContact O-OG1 3.37Å
506I95.9Very high95.1Very high0 Ų041.4 Ų41.40%026%0.256CS..Iπ-helixtrans-75.6-52.6-171.3-54.4178000111.2V468 F490 Y497 E501 I502 T509 L510 F532V468-I506 HydrophobicContact CG2-CD1 4.23Å; V468-I506 HydrophobicContact CG2-CG1 4.22Å; F490-I506 HydrophobicContact CB-CG2 4.39Å; F490-I506 HydrophobicContact CD1-CB 4.46Å; F490-I506 HydrophobicContact CD1-CD1 4.15Å; F490-I506 HydrophobicContact CD1-CG1 4.13Å; F490-I506 HydrophobicContact CD1-CG2 3.63Å; F490-I506 HydrophobicContact CE1-CB 4.33Å; F490-I506 HydrophobicContact CE1-CD1 4.22Å; F490-I506 HydrophobicContact CE1-CG1 3.82Å; F490-I506 HydrophobicContact CE1-CG2 3.9Å; F490-I506 HydrophobicContact CG-CG2 3.98Å; F490-I506 HydrophobicContact CZ-CG2 4.46Å; Y497-I506 HydrophobicContact CD1-CD1 3.48Å; Y497-I506 VanDerWaalsContact CD1-CD1 3.48Å; Y497-I506 HydrophobicContact CD2-CD1 3.62Å; Y497-I506 HydrophobicContact CE1-CD1 3.91Å; Y497-I506 HydrophobicContact CE2-CD1 4.04Å; Y497-I506 HydrophobicContact CG-CD1 3.32Å; E501-I506 PolarHBondContact O-N 3.32Å; I502-I506 HydrophobicContact CG1-CD1 4.14Å; I506-T509 WeakPolarHBondContact O-CB 3.36Å; I506-T509 PolarHBondContact O-N 2.85Å; I506-L510 HydrophobicContact CG2-CD1 3.91Å; I506-L510 HydrophobicContact CG2-CG 4.32Å; I506-L510 WeakPolarHBondContact O-CG 3.37Å; I506-L510 PolarHBondContact O-N 2.99Å; I506-F532 HydrophobicContact CG2-CD2 4.26Å; I506-F532 HydrophobicContact CG2-CE2 3.91Å; I506-F532 HydrophobicContact CG2-CZ 4.09Å
507L96.2Very high95.3Very high17 Ų1745.9 Ų45.99%0.08929%0.288CS..Hα-helixtrans-60.5-45.9177.4-79.4172000112.6I502 T509 L510 C511 I529 F532 L533 L536I502-L507 HydrophobicContact CG2-CD1 4.19Å; I502-L507 HydrophobicContact CG2-CG 4.33Å; I502-L507 WeakPolarHBondContact O-CB 3.49Å; I502-L507 WeakPolarHBondContact O-CG 3.43Å; I502-L507 PolarHBondContact O-N 3.38Å; L507-T509 VanDerWaalsContact C-N 3.32Å; L507-T509 PolarHBondContact O-N 3.25Å; L507-L510 PolarHBondContact O-N 2.61Å; L507-C511 WeakPolarHBondContact O-CB 3.46Å; L507-C511 PolarHBondContact O-N 3.22Å; L507-C511 PolarHBondContact O-SG 2.94Å; L507-I529 HydrophobicContact CD2-CB 4.31Å; L507-I529 HydrophobicContact CD2-CG1 4.23Å; L507-I529 HydrophobicContact CD2-CG2 4.07Å; L507-F532 HydrophobicContact CD2-CB 3.84Å; L507-F532 HydrophobicContact CG-CB 4.18Å; L507-L533 HydrophobicContact CD1-CD2 3.9Å; L507-L533 HydrophobicContact CD1-CG 4.47Å; L507-L533 HydrophobicContact CD2-CG 4.39Å; L507-L536 HydrophobicContact CD1-CD1 3.49Å; L507-L536 VanDerWaalsContact CD1-CD1 3.49Å; L507-L536 HydrophobicContact CD1-CG 4.5Å
508P96.9Very high95.5Very high71 Ų7148.7 Ų48.746%0.46130%0.303SS..Hα-helixtrans-55.9-42.2172.4-29.337000113.7A503 A512A503-P508 VanDerWaalsContact O-CD 3.29Å; A503-P508 WeakPolarHBondContact O-CD 3.4Å; P508-A512 PolarHBondContact O-N 3.31Å
509T96.6Very high95.6Very high28 Ų2854.1 Ų54.117%0.17232%0.324CS..Hα-helixtrans-60.1-50.4174.1-61.50000111.1S472 T475 F490 R505 I506 L507 C511 A512 V513S472-T509 WeakPolarHBondContact OG-CG2 3.45Å; S472-T509 PolarHBondContact OG-OG1 3.2Å; T475-T509 HydrophobicContact CG2-CG2 4.48Å; T475-T509 WeakPolarHBondContact OG1-CG2 3.5Å; F490-T509 HydrophobicContact CE2-CG2 4.02Å; F490-T509 HydrophobicContact CZ-CG2 4.37Å; R505-T509 WeakPolarHBondContact O-CB 3.47Å; R505-T509 PolarHBondContact O-N 2.92Å; R505-T509 VanDerWaalsContact O-N 3.13Å; R505-T509 PolarHBondContact O-OG1 3.37Å; I506-T509 WeakPolarHBondContact O-CB 3.36Å; I506-T509 PolarHBondContact O-N 2.85Å; L507-T509 VanDerWaalsContact C-N 3.32Å; L507-T509 PolarHBondContact O-N 3.25Å; T509-C511 PolarHBondContact O-N 3.44Å; T509-A512 PolarHBondContact O-N 3.27Å; T509-V513 WeakPolarHBondContact O-CG2 3.27Å
510L97Very high95.7Very high0 Ų054.2 Ų54.20%033%0.331CS..Hα-helixtrans-67.1-35.4-177.5-68.1174.6000112.6V487 F490 I506 L507 A512 V513 T514 A528 I529 F532V487-L510 HydrophobicContact CB-CD2 4.36Å; V487-L510 HydrophobicContact CG1-CD2 4.07Å; V487-L510 HydrophobicContact CG2-CD2 4.05Å; F490-L510 HydrophobicContact CD2-CD2 4.1Å; I506-L510 HydrophobicContact CG2-CD1 3.91Å; I506-L510 HydrophobicContact CG2-CG 4.32Å; I506-L510 WeakPolarHBondContact O-CG 3.37Å; I506-L510 PolarHBondContact O-N 2.99Å; L507-L510 PolarHBondContact O-N 2.61Å; L510-A512 VanDerWaalsContact C-N 3.32Å; L510-A512 PolarHBondContact O-N 3.05Å; L510-V513 WeakPolarHBondContact O-CA 3.46Å; L510-V513 WeakPolarHBondContact O-CB 3.34Å; L510-V513 PolarHBondContact O-N 2.72Å; L510-T514 PolarHBondContact O-N 2.82Å; L510-A528 HydrophobicContact CD1-CB 3.86Å; L510-A528 HydrophobicContact CD2-CB 4.33Å; L510-I529 HydrophobicContact CB-CD1 4.1Å; L510-I529 HydrophobicContact CB-CG1 3.65Å; L510-I529 HydrophobicContact CD1-CG1 4.35Å; L510-F532 HydrophobicContact CD1-CD2 3.66Å; L510-F532 HydrophobicContact CD1-CE2 3.89Å
511C97.2Very high95.9Very high64 Ų6449.2 Ų49.243%0.43230%0.301SS..Hα-helixtrans-58.9-42175.5-75.70000111.6L507 T509 V513 T514L507-C511 WeakPolarHBondContact O-CB 3.46Å; L507-C511 PolarHBondContact O-N 3.22Å; L507-C511 PolarHBondContact O-SG 2.94Å; T509-C511 PolarHBondContact O-N 3.44Å; C511-V513 PolarHBondContact O-N 3.47Å; C511-T514 WeakPolarHBondContact O-CB 3.2Å; C511-T514 PolarHBondContact O-N 2.93Å; C511-T514 VanDerWaalsContact O-N 3.08Å; C511-T514 PolarHBondContact O-OG1 3.04Å
512A96.4Very high96.2Very high70 Ų7051.2 Ų51.258%0.57931%0.307SS*.Hα-helixtrans-61.8-28.8174.200000113P508 T509 L510 T514 V515P508-A512 PolarHBondContact O-N 3.31Å; T509-A512 PolarHBondContact O-N 3.27Å; L510-A512 VanDerWaalsContact C-N 3.32Å; L510-A512 PolarHBondContact O-N 3.05Å; A512-T514 VanDerWaalsContact C-N 3.31Å; A512-T514 PolarHBondContact O-N 2.63Å; A512-V515 WeakPolarHBondContact O-CG2 3Å
513V96.9Very high96.3Very high8 Ų854.8 Ų54.85%0.04832%0.323CS..Hα-helixtrans-79.3-10.8177.8-172.80000112.5T475 V487 T509 L510 C511 V515 D516 V521 A525T475-V513 HydrophobicContact CG2-CG2 3.94Å; V487-V513 HydrophobicContact CG2-CG1 3.87Å; T509-V513 WeakPolarHBondContact O-CG2 3.27Å; L510-V513 WeakPolarHBondContact O-CA 3.46Å; L510-V513 WeakPolarHBondContact O-CB 3.34Å; L510-V513 PolarHBondContact O-N 2.72Å; C511-V513 PolarHBondContact O-N 3.47Å; V513-V515 PolarHBondContact O-N 3.05Å; V513-D516 HydrophobicContact CG1-CB 4.27Å; V513-D516 WeakPolarHBondContact O-CB 3.25Å; V513-D516 PolarHBondContact O-N 3.12Å; V513-D516 VanDerWaalsContact O-N 3.15Å; V513-V521 HydrophobicContact CG1-CG1 3.36Å; V513-A525 HydrophobicContact CB-CB 4.08Å; V513-A525 HydrophobicContact CG1-CB 3.93Å
514T96.8Very high96.3Very high32 Ų3254.5 Ų54.520%0.19631%0.313CS..THydrogen-bonded Turntrans-66-18175.664.40000114L510 C511 A512 R522 F526 I529L510-T514 PolarHBondContact O-N 2.82Å; C511-T514 WeakPolarHBondContact O-CB 3.2Å; C511-T514 PolarHBondContact O-N 2.93Å; C511-T514 VanDerWaalsContact O-N 3.08Å; C511-T514 PolarHBondContact O-OG1 3.04Å; A512-T514 VanDerWaalsContact C-N 3.31Å; A512-T514 PolarHBondContact O-N 2.63Å; T514-R522 WeakPolarHBondContact O-CD 3.34Å; T514-R522 WeakPolarHBondContact O-CG 3.4Å; T514-F526 HydrophobicContact CG2-CD1 4.03Å; T514-F526 HydrophobicContact CG2-CE1 3.68Å; T514-F526 HydrophobicContact CG2-CE2 4.42Å; T514-F526 HydrophobicContact CG2-CZ 3.9Å; T514-I529 HydrophobicContact CG2-CD1 3.32Å
515V96.8Very high96.3Very high120 Ų12051.3 Ų51.373%0.72729%0.287SS*.THydrogen-bonded Turntrans-106.915.6175.9-62.40000113.3A512 V513A512-V515 WeakPolarHBondContact O-CG2 3Å; V513-V515 PolarHBondContact O-N 3.05Å
516D97.8Very high96.5Very high14 Ų1450.7 Ų50.78%0.07529%0.288CS..  trans-53.4142.9176.3-164.2-81.7000112R483 V513 D518 V521 R522R483-D516 WeakPolarHBondContact CD-OD2 3.31Å; R483-D516 IonicContact CZ-OD1 2.75Å; R483-D516 IonicContact CZ-OD2 2.79Å; R483-D516 IonicContact NE-OD1 3.34Å; R483-D516 PolarHBondContact NE-OD1 3.37Å; R483-D516 IonicContact NE-OD2 3.56Å; R483-D516 PolarHBondContact NE-OD2 3.43Å; R483-D516 IonicContact NH2-OD1 3.92Å; R483-D516 PolarHBondContact NH2-OD1 3.42Å; R483-D516 IonicContact NH2-OD2 3.68Å; V513-D516 HydrophobicContact CG1-CB 4.27Å; V513-D516 WeakPolarHBondContact O-CB 3.25Å; V513-D516 PolarHBondContact O-N 3.12Å; V513-D516 VanDerWaalsContact O-N 3.15Å; D516-D518 PolarHBondContact O-N 3.44Å; D516-D518 WeakPolarHBondContact OD1-CB 3.34Å; D516-D518 PolarHBondContact OD1-N 3.01Å; D516-V521 HydrophobicContact CB-CB 4.07Å; D516-V521 HydrophobicContact CB-CG1 3.69Å; D516-V521 VanDerWaalsContact CG-CG1 3.42Å; D516-R522 HydrophobicContact CB-CG 3.96Å; D516-R522 WeakPolarHBondContact O-CD 3.43Å; D516-R522 VanDerWaalsContact O-CG 3.27Å; D516-R522 WeakPolarHBondContact O-CG 3.48Å; D516-R522 PolarHBondContact O-NH1 3.08Å
517P96.4Very high96.5Very high118 Ų11854.9 Ų54.977%0.76631%0.306SS*.SBendtrans-56.4-34.3175.3-27.836000114.4R522P517-R522 PolarHBondContact O-NH1 3.29Å
518D96.6Very high96.4Very high60 Ų6054 Ų5432%0.32130%0.302SS..SBendtrans-84.4129.5-177.2-176.9-86.9000112.8P480 D516 G520 V521 R522P480-D518 HydrophobicContact CB-CB 4.07Å; D516-D518 PolarHBondContact O-N 3.44Å; D516-D518 WeakPolarHBondContact OD1-CB 3.34Å; D516-D518 PolarHBondContact OD1-N 3.01Å; D518-G520 PolarHBondContact O-N 2.97Å; D518-G520 VanDerWaalsContact OD1-CA 3.23Å; D518-G520 WeakPolarHBondContact OD1-CA 3.48Å; D518-G520 PolarHBondContact OD1-N 2.9Å; D518-V521 HydrophobicContact CB-CB 4.1Å; D518-V521 HydrophobicContact CB-CG2 3.79Å; D518-V521 PolarHBondContact O-N 3.36Å; D518-V521 PolarHBondContact OD1-N 3.45Å; D518-R522 WeakPolarHBondContact O-CG 3.35Å; D518-R522 PolarHBondContact O-N 2.97Å; D518-R522 VanDerWaalsContact O-N 3.12Å; D518-R522 PolarHBondContact O-NH1 3.26Å
519K95.9Very high96.4Very high132 Ų13251.5 Ų51.557%0.57428%0.284SS*.Hα-helixtrans-63.8-39.4-178.9-178.6178.4179.2-86.60112.5R522 E523K519-R522 PolarHBondContact O-N 2.92Å; K519-E523 WeakPolarHBondContact CE-OE1 3.3Å; K519-E523 IonicContact NZ-OE1 2.63Å; K519-E523 PolarHBondContact NZ-OE1 3.06Å; K519-E523 WeakPolarHBondContact O-CG 3.46Å; K519-E523 PolarHBondContact O-N 3.35Å
520G94.1Very high96.4Very high29 Ų2957 Ų5730%0.29931%0.305SS..Hα-helixtrans-65.3-43.317900000111.7D518 E523 Q524D518-G520 PolarHBondContact O-N 2.97Å; D518-G520 VanDerWaalsContact OD1-CA 3.23Å; D518-G520 WeakPolarHBondContact OD1-CA 3.48Å; D518-G520 PolarHBondContact OD1-N 2.9Å; G520-E523 PolarHBondContact O-N 2.84Å; G520-Q524 WeakPolarHBondContact O-CG 3.35Å; G520-Q524 PolarHBondContact O-N 2.91Å; G520-Q524 VanDerWaalsContact O-N 3.08Å
521V96.1Very high96.2Very high0 Ų057.6 Ų57.60%031%0.31CS..Hα-helixtrans-58.3-50.8174.2178.20000110.7P480 R483 S484 V513 D516 D518 E523 Q524 A525P480-V521 HydrophobicContact CB-CG2 4.27Å; P480-V521 WeakPolarHBondContact O-CG2 3.38Å; R483-V521 HydrophobicContact CB-CG1 4.13Å; R483-V521 HydrophobicContact CB-CG2 4.18Å; S484-V521 VanDerWaalsContact OG-CG2 3.31Å; S484-V521 WeakPolarHBondContact OG-CG2 3.41Å; V513-V521 HydrophobicContact CG1-CG1 3.36Å; D516-V521 HydrophobicContact CB-CB 4.07Å; D516-V521 HydrophobicContact CB-CG1 3.69Å; D516-V521 VanDerWaalsContact CG-CG1 3.42Å; D518-V521 HydrophobicContact CB-CB 4.1Å; D518-V521 HydrophobicContact CB-CG2 3.79Å; D518-V521 PolarHBondContact O-N 3.36Å; D518-V521 PolarHBondContact OD1-N 3.45Å; V521-E523 VanDerWaalsContact C-N 3.33Å; V521-E523 PolarHBondContact O-N 3.31Å; V521-Q524 PolarHBondContact O-N 3.39Å; V521-A525 PolarHBondContact O-N 3.12Å
522R97.6Very high96.1Very high80 Ų8054.6 Ų54.630%0.30229%0.29SS..Hα-helixtrans-56.5-44.9176.2-66.2-167.8-58.9-85.49.1112.3T514 D516 P517 D518 K519 Q524 A525 F526T514-R522 WeakPolarHBondContact O-CD 3.34Å; T514-R522 WeakPolarHBondContact O-CG 3.4Å; D516-R522 HydrophobicContact CB-CG 3.96Å; D516-R522 WeakPolarHBondContact O-CD 3.43Å; D516-R522 VanDerWaalsContact O-CG 3.27Å; D516-R522 WeakPolarHBondContact O-CG 3.48Å; D516-R522 PolarHBondContact O-NH1 3.08Å; P517-R522 PolarHBondContact O-NH1 3.29Å; D518-R522 WeakPolarHBondContact O-CG 3.35Å; D518-R522 PolarHBondContact O-N 2.97Å; D518-R522 VanDerWaalsContact O-N 3.12Å; D518-R522 PolarHBondContact O-NH1 3.26Å; K519-R522 PolarHBondContact O-N 2.92Å; R522-Q524 PolarHBondContact O-N 2.85Å; R522-A525 PolarHBondContact O-N 3.11Å; R522-F526 WeakPolarHBondContact O-CD2 3.38Å; R522-F526 PolarHBondContact O-N 3.5Å
523E95.8Very high96Very high74 Ų7454.6 Ų54.635%0.34628%0.279SS..Hα-helixtrans-61.9-38179.3-81.6-175.9-149.200113.5K519 G520 V521 K527K519-E523 WeakPolarHBondContact CE-OE1 3.3Å; K519-E523 IonicContact NZ-OE1 2.63Å; K519-E523 PolarHBondContact NZ-OE1 3.06Å; K519-E523 WeakPolarHBondContact O-CG 3.46Å; K519-E523 PolarHBondContact O-N 3.35Å; G520-E523 PolarHBondContact O-N 2.84Å; V521-E523 VanDerWaalsContact C-N 3.33Å; V521-E523 PolarHBondContact O-N 3.31Å; E523-K527 WeakPolarHBondContact O-CD 3.42Å; E523-K527 VanDerWaalsContact O-CG 3.27Å; E523-K527 WeakPolarHBondContact O-CG 3.31Å; E523-K527 PolarHBondContact O-N 3.23Å; E523-K527 IonicContact OE2-NZ 3Å
524Q94.5Very high95.8Very high45 Ų4557.1 Ų57.121%0.2130%0.295CS..Hα-helixtrans-72.6-36.3173.8-52.4-48.8-18.600111.5V487 L488 G520 V521 R522 K527 A528V487-Q524 HydrophobicContact CB-CB 4.48Å; V487-Q524 HydrophobicContact CG1-CB 3.8Å; L488-Q524 HydrophobicContact CD2-CG 4.37Å; L488-Q524 HydrophobicContact CG-CG 4.4Å; G520-Q524 WeakPolarHBondContact O-CG 3.35Å; G520-Q524 PolarHBondContact O-N 2.91Å; G520-Q524 VanDerWaalsContact O-N 3.08Å; V521-Q524 PolarHBondContact O-N 3.39Å; R522-Q524 PolarHBondContact O-N 2.85Å; Q524-K527 PolarHBondContact O-N 2.92Å; Q524-A528 WeakPolarHBondContact O-CB 3.5Å; Q524-A528 PolarHBondContact O-N 3.01Å
525A96.9Very high95.5Very high0 Ų055.7 Ų55.70%029%0.286CS..Hα-helixtrans-61.1-47.1178.900000111.4V513 V521 R522 K527 A528 I529V513-A525 HydrophobicContact CB-CB 4.08Å; V513-A525 HydrophobicContact CG1-CB 3.93Å; V521-A525 PolarHBondContact O-N 3.12Å; R522-A525 PolarHBondContact O-N 3.11Å; A525-K527 VanDerWaalsContact C-N 3.31Å; A525-K527 PolarHBondContact O-N 3Å; A525-A528 PolarHBondContact O-N 2.83Å; A525-I529 WeakPolarHBondContact O-CB 3.46Å; A525-I529 VanDerWaalsContact O-CG1 3.27Å; A525-I529 WeakPolarHBondContact O-CG1 3.4Å; A525-I529 PolarHBondContact O-N 3.05Å
526F97.6Very high95.2Very high103 Ų10351.7 Ų51.745%0.45226%0.261SS..Hα-helixtrans-62.8-32.4175.2-75.8-64.4000113.7T514 R522 K530T514-F526 HydrophobicContact CG2-CD1 4.03Å; T514-F526 HydrophobicContact CG2-CE1 3.68Å; T514-F526 HydrophobicContact CG2-CE2 4.42Å; T514-F526 HydrophobicContact CG2-CZ 3.9Å; R522-F526 WeakPolarHBondContact O-CD2 3.38Å; R522-F526 PolarHBondContact O-N 3.5Å; F526-K530 VanDerWaalsContact O-CG 3.29Å; F526-K530 WeakPolarHBondContact O-CG 3.48Å; F526-K530 PolarHBondContact O-N 3.2Å
527K95.4Very high94.9Very high87 Ų8755.7 Ų55.738%0.37828%0.279SS..Hα-helixtrans-71.3-42.8174.5-68.5164-167161.50111.5E523 Q524 A525 K530 S531 W569E523-K527 WeakPolarHBondContact O-CD 3.42Å; E523-K527 VanDerWaalsContact O-CG 3.27Å; E523-K527 WeakPolarHBondContact O-CG 3.31Å; E523-K527 PolarHBondContact O-N 3.23Å; E523-K527 IonicContact OE2-NZ 3Å; Q524-K527 PolarHBondContact O-N 2.92Å; A525-K527 VanDerWaalsContact C-N 3.31Å; A525-K527 PolarHBondContact O-N 3Å; K527-K530 PolarHBondContact O-N 3.11Å; K527-S531 PolarHBondContact O-N 2.93Å; K527-S531 VanDerWaalsContact O-N 3.08Å; K527-W569 HydrophobicContact CB-CE3 4.32Å; K527-W569 HydrophobicContact CB-CH2 3.42Å; K527-W569 VanDerWaalsContact CB-CH2 3.42Å; K527-W569 HydrophobicContact CB-CZ2 3.65Å; K527-W569 HydrophobicContact CB-CZ3 3.77Å; K527-W569 HydrophobicContact CD-CE3 4.31Å; K527-W569 HydrophobicContact CD-CZ3 4.17Å
528A95.8Very high94.7Very high0 Ų051.3 Ų51.30%025%0.25CC..Hα-helixtrans-63.4-47.5176.600000111.6V487 A491 L510 Q524 A525 K530 S531 F532 W569V487-A528 HydrophobicContact CG1-CB 3.83Å; A491-A528 HydrophobicContact CB-CB 4.23Å; L510-A528 HydrophobicContact CD1-CB 3.86Å; L510-A528 HydrophobicContact CD2-CB 4.33Å; Q524-A528 WeakPolarHBondContact O-CB 3.5Å; Q524-A528 PolarHBondContact O-N 3.01Å; A525-A528 PolarHBondContact O-N 2.83Å; A528-K530 PolarHBondContact O-N 3.44Å; A528-S531 WeakPolarHBondContact O-CB 3.46Å; A528-S531 PolarHBondContact O-N 3.46Å; A528-S531 VanDerWaalsContact O-N 3.16Å; A528-F532 VanDerWaalsContact O-CD2 3.24Å; A528-F532 WeakPolarHBondContact O-CD2 3.49Å; A528-F532 PolarHBondContact O-N 3.33Å; A528-W569 HydrophobicContact CB-CH2 4.3Å
529I97.1Very high94.3Very high17 Ų1749 Ų499%0.08724%0.238CC..Hα-helixtrans-55.8-48.8176.8-70.9165000111L507 L510 T514 A525 S531 F532 L533L507-I529 HydrophobicContact CD2-CB 4.31Å; L507-I529 HydrophobicContact CD2-CG1 4.23Å; L507-I529 HydrophobicContact CD2-CG2 4.07Å; L510-I529 HydrophobicContact CB-CD1 4.1Å; L510-I529 HydrophobicContact CB-CG1 3.65Å; L510-I529 HydrophobicContact CD1-CG1 4.35Å; T514-I529 HydrophobicContact CG2-CD1 3.32Å; A525-I529 WeakPolarHBondContact O-CB 3.46Å; A525-I529 VanDerWaalsContact O-CG1 3.27Å; A525-I529 WeakPolarHBondContact O-CG1 3.4Å; A525-I529 PolarHBondContact O-N 3.05Å; I529-S531 PolarHBondContact O-N 2.56Å; I529-F532 PolarHBondContact O-N 3.3Å; I529-L533 HydrophobicContact CG2-CD1 3.7Å; I529-L533 HydrophobicContact CG2-CG 4.18Å; I529-L533 WeakPolarHBondContact O-CB 3.47Å; I529-L533 WeakPolarHBondContact O-CG 3.45Å; I529-L533 PolarHBondContact O-N 3.05Å
530K95.4Very high94Very high143 Ų14347.6 Ų47.662%0.62224%0.244SC*.Hα-helixtrans-58.9-45177.1-73.2175-179.4-173.20112.1F526 K527 A528 F532 L533 T534F526-K530 VanDerWaalsContact O-CG 3.29Å; F526-K530 WeakPolarHBondContact O-CG 3.48Å; F526-K530 PolarHBondContact O-N 3.2Å; K527-K530 PolarHBondContact O-N 3.11Å; A528-K530 PolarHBondContact O-N 3.44Å; K530-F532 VanDerWaalsContact C-N 3.31Å; K530-F532 PolarHBondContact O-N 2.76Å; K530-L533 PolarHBondContact O-N 3.08Å; K530-T534 PolarHBondContact O-N 3.39Å; K530-T534 PolarHBondContact O-OG1 3.11Å
531S92.7Very high93.9Very high14 Ų1454 Ų5410%0.09827%0.267CS..Hα-helixtrans-61.7-36.6177.2-171.10000113.2K527 A528 I529 K535 W566K527-S531 PolarHBondContact O-N 2.93Å; K527-S531 VanDerWaalsContact O-N 3.08Å; A528-S531 WeakPolarHBondContact O-CB 3.46Å; A528-S531 PolarHBondContact O-N 3.46Å; A528-S531 VanDerWaalsContact O-N 3.16Å; I529-S531 PolarHBondContact O-N 2.56Å; S531-K535 PolarHBondContact O-N 2.87Å; S531-W566 PolarHBondContact OG-O 2.72Å
532F95Very high93.6Very high1 Ų156.3 Ų56.30%0.00428%0.279CS..Hα-helixtrans-78.3-37177.6-79.6-63.2000112.7F490 H494 Y497 I502 I506 L507 L510 A528 I529 K530 K535 L536F490-F532 HydrophobicContact CB-CE2 4.15Å; F490-F532 HydrophobicContact CB-CZ 4.35Å; H494-F532 HydrophobicContact CB-CE1 3.83Å; H494-F532 HydrophobicContact CB-CZ 4.04Å; Y497-F532 HydrophobicContact CD2-CE1 4.38Å; Y497-F532 HydrophobicContact CD2-CZ 4.48Å; I502-F532 HydrophobicContact CB-CD1 4.4Å; I502-F532 HydrophobicContact CD1-CD1 4Å; I502-F532 HydrophobicContact CD1-CE1 4.18Å; I502-F532 HydrophobicContact CG1-CD1 3.86Å; I502-F532 HydrophobicContact CG1-CE1 3.98Å; I502-F532 HydrophobicContact CG2-CB 3.88Å; I502-F532 HydrophobicContact CG2-CD1 3.64Å; I502-F532 HydrophobicContact CG2-CG 4.06Å; I506-F532 HydrophobicContact CG2-CD2 4.26Å; I506-F532 HydrophobicContact CG2-CE2 3.91Å; I506-F532 HydrophobicContact CG2-CZ 4.09Å; L507-F532 HydrophobicContact CD2-CB 3.84Å; L507-F532 HydrophobicContact CG-CB 4.18Å; L510-F532 HydrophobicContact CD1-CD2 3.66Å; L510-F532 HydrophobicContact CD1-CE2 3.89Å; A528-F532 VanDerWaalsContact O-CD2 3.24Å; A528-F532 WeakPolarHBondContact O-CD2 3.49Å; A528-F532 PolarHBondContact O-N 3.33Å; I529-F532 PolarHBondContact O-N 3.3Å; K530-F532 VanDerWaalsContact C-N 3.31Å; K530-F532 PolarHBondContact O-N 2.76Å; F532-K535 WeakPolarHBondContact O-CB 3.46Å; F532-K535 PolarHBondContact O-N 3.21Å; F532-L536 PolarHBondContact O-N 3.26Å
533L94.9Very high93.1Very high69 Ų6957.1 Ų57.136%0.36130%0.295SS..Hα-helixtrans-61.5-48.9173.9-73.5173.4000111.1L507 I529 K530 K535 L536 E537L507-L533 HydrophobicContact CD1-CD2 3.9Å; L507-L533 HydrophobicContact CD1-CG 4.47Å; L507-L533 HydrophobicContact CD2-CG 4.39Å; I529-L533 HydrophobicContact CG2-CD1 3.7Å; I529-L533 HydrophobicContact CG2-CG 4.18Å; I529-L533 WeakPolarHBondContact O-CB 3.47Å; I529-L533 WeakPolarHBondContact O-CG 3.45Å; I529-L533 PolarHBondContact O-N 3.05Å; K530-L533 PolarHBondContact O-N 3.08Å; L533-K535 PolarHBondContact O-N 2.9Å; L533-L536 CarbonylContact O-C 3.44Å; L533-L536 WeakPolarHBondContact O-CA 3.48Å; L533-L536 WeakPolarHBondContact O-CB 3.38Å; L533-L536 PolarHBondContact O-N 2.95Å; L533-E537 WeakPolarHBondContact O-CB 3.33Å; L533-E537 VanDerWaalsContact O-CG 3.29Å; L533-E537 WeakPolarHBondContact O-CG 3.49Å; L533-E537 PolarHBondContact O-N 2.91Å
534T92.6Very high92.6Very high62 Ų6257.9 Ų57.938%0.3831%0.308SS..Hα-helixtrans-59.9-30.4175.8-59.10000113.1K530 E537 T538K530-T534 PolarHBondContact O-N 3.39Å; K530-T534 PolarHBondContact O-OG1 3.11Å; T534-E537 VanDerWaalsContact CA-OE2 3.24Å; T534-E537 WeakPolarHBondContact CA-OE2 3.4Å; T534-E537 PolarHBondContact OG1-OE2 3.48Å; T534-T538 WeakPolarHBondContact O-CB 3.5Å; T534-T538 PolarHBondContact O-N 3.45Å; T534-T538 PolarHBondContact O-OG1 2.9Å
535K89.9Confident92.2Very high1 Ų159 Ų590%0.00431%0.313CS..Hα-helixtrans-69.9-36.4173-176.4168.1178164.30112.6H494 I499 I502 S531 F532 L533 I549 W566H494-K535 PolarHBondContact O-NZ 2.86Å; I499-K535 HydrophobicContact CD1-CG 4.34Å; I502-K535 HydrophobicContact CD1-CD 3.9Å; I502-K535 HydrophobicContact CD1-CG 4.45Å; S531-K535 PolarHBondContact O-N 2.87Å; F532-K535 WeakPolarHBondContact O-CB 3.46Å; F532-K535 PolarHBondContact O-N 3.21Å; L533-K535 PolarHBondContact O-N 2.9Å; K535-I549 HydrophobicContact CD-CG2 4.38Å; K535-I549 HydrophobicContact CG-CG2 4.21Å; K535-W566 HydrophobicContact CB-CE3 4.41Å; K535-W566 HydrophobicContact CB-CZ3 4.37Å; K535-W566 HydrophobicContact CD-CE3 4.13Å; K535-W566 HydrophobicContact CD-CZ3 4.04Å; K535-W566 HydrophobicContact CG-CE3 4.19Å; K535-W566 HydrophobicContact CG-CH2 4.46Å; K535-W566 HydrophobicContact CG-CZ3 3.83Å
536L91.1Very high91.6Very high37 Ų3762.3 Ų62.319%0.19433%0.33CS..Hα-helixtrans-71.7-45.7171.9-64.2-176.4000112I499 I502 A503 L507 F532 L533 T538 V539 S540I499-L536 HydrophobicContact CB-CD2 4.41Å; I499-L536 HydrophobicContact CD1-CD2 4.15Å; I499-L536 HydrophobicContact CG2-CD2 3.68Å; I502-L536 HydrophobicContact CB-CD2 4.17Å; I502-L536 HydrophobicContact CG2-CD1 4.21Å; I502-L536 HydrophobicContact CG2-CD2 3.83Å; I502-L536 HydrophobicContact CG2-CG 3.95Å; A503-L536 HydrophobicContact CB-CD1 4.21Å; L507-L536 HydrophobicContact CD1-CD1 3.49Å; L507-L536 VanDerWaalsContact CD1-CD1 3.49Å; L507-L536 HydrophobicContact CD1-CG 4.5Å; F532-L536 PolarHBondContact O-N 3.26Å; L533-L536 CarbonylContact O-C 3.44Å; L533-L536 WeakPolarHBondContact O-CA 3.48Å; L533-L536 WeakPolarHBondContact O-CB 3.38Å; L533-L536 PolarHBondContact O-N 2.95Å; L536-T538 VanDerWaalsContact C-N 3.32Å; L536-T538 PolarHBondContact O-N 3.12Å; L536-V539 PolarHBondContact O-N 3.45Å; L536-V539 VanDerWaalsContact O-N 3.11Å; L536-S540 PolarHBondContact O-N 3.11Å
537E92.6Very high90.9Very high98 Ų9861.1 Ų61.146%0.45834%0.339SS..Hα-helixtrans-55.3-46.7177.7-70.7161.6172.700110.6L533 T534 V539 S540 E541L533-E537 WeakPolarHBondContact O-CB 3.33Å; L533-E537 VanDerWaalsContact O-CG 3.29Å; L533-E537 WeakPolarHBondContact O-CG 3.49Å; L533-E537 PolarHBondContact O-N 2.91Å; T534-E537 VanDerWaalsContact CA-OE2 3.24Å; T534-E537 WeakPolarHBondContact CA-OE2 3.4Å; T534-E537 PolarHBondContact OG1-OE2 3.48Å; E537-V539 PolarHBondContact O-N 3.25Å; E537-S540 CarbonylContact O-C 3.59Å; E537-S540 PolarHBondContact O-N 3.38Å; E537-E541 WeakPolarHBondContact O-CG 3.47Å; E537-E541 PolarHBondContact O-N 3.22Å
538T90.5Very high90.4Very high25 Ų2563.7 Ų63.715%0.15335%0.352CS..Hα-helixtrans-56.4-35.2177.4-59.60000113.3T534 L536 D542 K545 I549 W566T534-T538 WeakPolarHBondContact O-CB 3.5Å; T534-T538 PolarHBondContact O-N 3.45Å; T534-T538 PolarHBondContact O-OG1 2.9Å; L536-T538 VanDerWaalsContact C-N 3.32Å; L536-T538 PolarHBondContact O-N 3.12Å; T538-D542 PolarHBondContact O-N 3.13Å; T538-K545 HydrophobicContact CG2-CD 3.59Å; T538-I549 HydrophobicContact CG2-CD1 3.91Å; T538-W566 HydrophobicContact CG2-CH2 4.22Å; T538-W566 HydrophobicContact CG2-CZ2 4.08Å
539V89.5Confident89.7Confident13 Ų1364.5 Ų64.58%0.07936%0.356CS..Hα-helixtrans-82.2-30.6176.7174.60000111.8I499 L536 E537 D542 P543 L546 I549I499-V539 HydrophobicContact CD1-CB 4.43Å; I499-V539 HydrophobicContact CD1-CG2 3.76Å; I499-V539 HydrophobicContact CG1-CG2 4.11Å; L536-V539 PolarHBondContact O-N 3.45Å; L536-V539 VanDerWaalsContact O-N 3.11Å; E537-V539 PolarHBondContact O-N 3.25Å; V539-D542 CarbonylContact O-C 3.58Å; V539-D542 VanDerWaalsContact O-C 3.26Å; V539-P543 WeakPolarHBondContact O-CA 3.44Å; V539-L546 HydrophobicContact CG1-CB 4.04Å; V539-L546 HydrophobicContact CG1-CD1 4.09Å; V539-L546 HydrophobicContact CG1-CG 4.31Å; V539-I549 HydrophobicContact CG2-CD1 3.5Å; V539-I549 HydrophobicContact CG2-CG2 4.43Å
540S90Very high89.2Confident101 Ų10166.2 Ų66.271%0.70636%0.364SS*.Hα-helixtrans-72.1-32.2174.8-170.60000112.9L536 E537L536-S540 PolarHBondContact O-N 3.11Å; E537-S540 CarbonylContact O-C 3.59Å; E537-S540 PolarHBondContact O-N 3.38Å
541E91.7Very high88.7Confident164 Ų16466.6 Ų66.677%0.76637%0.366SS*.Hα-helixtrans-75-35173.7-71.5-177.4162.300111.9E537E537-E541 WeakPolarHBondContact O-CG 3.47Å; E537-E541 PolarHBondContact O-N 3.22Å
542D88.8Confident88Confident49 Ų4968.5 Ų68.526%0.26238%0.375SS..  trans-145.892.9-178.1-175.7-6.9000111.7T538 V539 S544 K545T538-D542 PolarHBondContact O-N 3.13Å; V539-D542 CarbonylContact O-C 3.58Å; V539-D542 VanDerWaalsContact O-C 3.26Å; D542-S544 PolarHBondContact O-N 3.31Å; D542-S544 VanDerWaalsContact OD1-CB 3.29Å; D542-S544 WeakPolarHBondContact OD1-CB 3.31Å; D542-S544 PolarHBondContact OD1-N 3.04Å; D542-S544 PolarHBondContact OD1-OG 2.95Å; D542-K545 HydrophobicContact CB-CD 4.08Å; D542-K545 HydrophobicContact CB-CG 4.08Å; D542-K545 WeakPolarHBondContact O-CB 3.26Å; D542-K545 PolarHBondContact O-N 3.11Å; D542-K545 VanDerWaalsContact O-N 3.08Å; D542-K545 WeakPolarHBondContact OD2-CE 3.37Å; D542-K545 IonicContact OD2-NZ 3.71Å; D542-K545 PolarHBondContact OD2-NZ 3.04Å
543P87.2Confident87.5Confident97 Ų9769.5 Ų69.563%0.6338%0.381SS*.G310 helixtrans-59.8-16.7179-27.936.5000114.8V539 K545 L546V539-P543 WeakPolarHBondContact O-CA 3.44Å; P543-K545 VanDerWaalsContact C-N 3.26Å; P543-K545 PolarHBondContact O-N 3.26Å; P543-L546 WeakPolarHBondContact O-CB 3.39Å; P543-L546 PolarHBondContact O-N 2.97Å
544S86.5Confident86.5Confident90 Ų9069.3 Ų69.363%0.62940%0.396SS*.G310 helixtrans-69.2-26.9176.976.80000112.5D542 L546D542-S544 PolarHBondContact O-N 3.31Å; D542-S544 VanDerWaalsContact OD1-CB 3.29Å; D542-S544 WeakPolarHBondContact OD1-CB 3.31Å; D542-S544 PolarHBondContact OD1-N 3.04Å; D542-S544 PolarHBondContact OD1-OG 2.95Å; S544-L546 PolarHBondContact O-N 2.89Å
545K85.1Confident85.7Confident69 Ų6968.3 Ų68.330%0.339%0.391SS..G310 helixtrans-70.2-14.8177.7-62-175.9178.692.80113.6T538 D542 P543 A547 E548 I549T538-K545 HydrophobicContact CG2-CD 3.59Å; D542-K545 HydrophobicContact CB-CD 4.08Å; D542-K545 HydrophobicContact CB-CG 4.08Å; D542-K545 WeakPolarHBondContact O-CB 3.26Å; D542-K545 PolarHBondContact O-N 3.11Å; D542-K545 VanDerWaalsContact O-N 3.08Å; D542-K545 WeakPolarHBondContact OD2-CE 3.37Å; D542-K545 IonicContact OD2-NZ 3.71Å; D542-K545 PolarHBondContact OD2-NZ 3.04Å; P543-K545 VanDerWaalsContact C-N 3.26Å; P543-K545 PolarHBondContact O-N 3.26Å; K545-A547 VanDerWaalsContact C-N 3.27Å; K545-A547 PolarHBondContact O-N 3.13Å; K545-E548 WeakPolarHBondContact O-CB 3.42Å; K545-E548 PolarHBondContact O-N 3.27Å; K545-I549 HydrophobicContact CB-CD1 3.75Å; K545-I549 HydrophobicContact CB-CG1 4.46Å; K545-I549 WeakPolarHBondContact O-CB 3.35Å; K545-I549 VanDerWaalsContact O-CG1 3.27Å; K545-I549 WeakPolarHBondContact O-CG1 3.3Å; K545-I549 PolarHBondContact O-N 2.88Å
546L85.1Confident84.1Confident68 Ų6871.2 Ų71.236%0.35641%0.411SS..Hα-helixtrans-53.4-44.9179.7-170.9157.8000111.6V539 P543 S544 E548 I549 E550V539-L546 HydrophobicContact CG1-CB 4.04Å; V539-L546 HydrophobicContact CG1-CD1 4.09Å; V539-L546 HydrophobicContact CG1-CG 4.31Å; P543-L546 WeakPolarHBondContact O-CB 3.39Å; P543-L546 PolarHBondContact O-N 2.97Å; S544-L546 PolarHBondContact O-N 2.89Å; L546-E548 VanDerWaalsContact C-N 3.33Å; L546-E548 PolarHBondContact O-N 3.18Å; L546-I549 PolarHBondContact O-N 2.87Å; L546-E550 HydrophobicContact CD2-CG 4.17Å; L546-E550 WeakPolarHBondContact CD2-OE2 3.29Å; L546-E550 WeakPolarHBondContact O-CB 3.31Å; L546-E550 PolarHBondContact O-N 3.47Å
547A83.1Confident82.3Confident78 Ų7872.8 Ų72.865%0.64543%0.43SS*.Hα-helixtrans-69.2-26.8-179.700000114K545 K551K545-A547 VanDerWaalsContact C-N 3.27Å; K545-A547 PolarHBondContact O-N 3.13Å; A547-K551 PolarHBondContact O-N 3.15Å
548E83.1Confident80.3Confident142 Ų14274.9 Ų74.966%0.66444%0.44SS*.Hα-helixtrans-75.5-40171.5-177.8177.8-168.200110.8K545 L546 K551K545-E548 WeakPolarHBondContact O-CB 3.42Å; K545-E548 PolarHBondContact O-N 3.27Å; L546-E548 VanDerWaalsContact C-N 3.33Å; L546-E548 PolarHBondContact O-N 3.18Å; E548-K551 WeakPolarHBondContact O-CB 3.44Å
549I81.3Confident78.2Confident17 Ų1777.4 Ų77.49%0.08746%0.457CS..Hα-helixtrans-77.9-31.6-173-72.6168.8000113I499 K535 T538 V539 K545 L546 W566I499-I549 HydrophobicContact CD1-CG2 4.03Å; K535-I549 HydrophobicContact CD-CG2 4.38Å; K535-I549 HydrophobicContact CG-CG2 4.21Å; T538-I549 HydrophobicContact CG2-CD1 3.91Å; V539-I549 HydrophobicContact CG2-CD1 3.5Å; V539-I549 HydrophobicContact CG2-CG2 4.43Å; K545-I549 HydrophobicContact CB-CD1 3.75Å; K545-I549 HydrophobicContact CB-CG1 4.46Å; K545-I549 WeakPolarHBondContact O-CB 3.35Å; K545-I549 VanDerWaalsContact O-CG1 3.27Å; K545-I549 WeakPolarHBondContact O-CG1 3.3Å; K545-I549 PolarHBondContact O-N 2.88Å; L546-I549 PolarHBondContact O-N 2.87Å; I549-W566 HydrophobicContact CD1-CH2 3.75Å; I549-W566 HydrophobicContact CD1-CZ3 4.39Å; I549-W566 HydrophobicContact CG1-CH2 3.9Å; I549-W566 HydrophobicContact CG1-CZ3 4.17Å; I549-W566 HydrophobicContact CG2-CZ3 4.44Å
550E86.8Confident76Confident52 Ų5280.6 Ų80.624%0.24348%0.484CS..SBendtrans-94.8-0.9175.2-62-164.4157.900113.6S498 I499 L546 D552 V553S498-E550 WeakPolarHBondContact CA-OE1 3.28Å; S498-E550 VanDerWaalsContact CB-OE1 3.23Å; S498-E550 WeakPolarHBondContact CB-OE1 3.38Å; I499-E550 WeakPolarHBondContact CB-OE1 3.44Å; I499-E550 HydrophobicContact CG1-CG 4.25Å; I499-E550 WeakPolarHBondContact CG1-OE1 3.29Å; I499-E550 PolarHBondContact N-OE1 2.94Å; L546-E550 HydrophobicContact CD2-CG 4.17Å; L546-E550 WeakPolarHBondContact CD2-OE2 3.29Å; L546-E550 WeakPolarHBondContact O-CB 3.31Å; L546-E550 PolarHBondContact O-N 3.47Å; E550-D552 PolarHBondContact O-N 3.08Å; E550-D552 VanDerWaalsContact O-N 3.09Å; E550-V553 HydrophobicContact CB-CG2 4.05Å; E550-V553 HydrophobicContact CG-CG2 4.41Å; E550-V553 VanDerWaalsContact O-CB 3.28Å; E550-V553 WeakPolarHBondContact O-CB 3.48Å; E550-V553 WeakPolarHBondContact O-CG2 3.44Å; E550-V553 PolarHBondContact O-N 3.22Å
551K84.6Confident73.6Confident152 Ų15279.3 Ų79.366%0.66149%0.487SS*.THydrogen-bonded Turntrans-47.2-41.2178.6-179-172.2173.3-167.40113.5A547 E548A547-K551 PolarHBondContact O-N 3.15Å; E548-K551 WeakPolarHBondContact O-CB 3.44Å
552D79.6Confident71.1Confident53 Ų5376.3 Ų76.328%0.28349%0.49SS..THydrogen-bonded Turntrans-87.5-7.9-177.6-75.3-12.1000113.9R463 N495 E550 S555R463-D552 PolarHBondContact NH2-O 2.95Å; N495-D552 HydrophobicContact CB-CB 3.96Å; N495-D552 CarbonylContact O-C 3.5Å; E550-D552 PolarHBondContact O-N 3.08Å; E550-D552 VanDerWaalsContact O-N 3.09Å; D552-S555 WeakPolarHBondContact CA-OG 3.47Å
553V83.4Confident68.6Low23 Ų2376.3 Ų76.314%0.13949%0.494CS..THydrogen-bonded Turntrans-67.3-45.4176.3-178.50000110R463 N495 Y497 E550R463-V553 PolarHBondContact NH2-O 2.78Å; N495-V553 WeakPolarHBondContact O-CG2 3.19Å; N495-V553 PolarHBondContact O-N 3.44Å; Y497-V553 VanDerWaalsContact C-CG2 3.47Å; Y497-V553 WeakPolarHBondContact O-CG2 3.3Å; E550-V553 HydrophobicContact CB-CG2 4.05Å; E550-V553 HydrophobicContact CG-CG2 4.41Å; E550-V553 VanDerWaalsContact O-CB 3.28Å; E550-V553 WeakPolarHBondContact O-CB 3.48Å; E550-V553 WeakPolarHBondContact O-CG2 3.44Å; E550-V553 PolarHBondContact O-N 3.22Å
554G74.9Confident66.6Low65 Ų6575.7 Ų75.767%0.6749%0.492SS*.SBendtrans-87.3-8.6178.900000115.7A460A460-G554 WeakPolarHBondContact CB-O 3.38Å
555S75.7Confident65Low40 Ų4076.5 Ų76.528%0.2850%0.497SS..  trans-88.4132.1-176.377.50000112.5R463 D552R463-S555 VanDerWaalsContact CZ-O 3.24Å; R463-S555 PolarHBondContact NH1-O 2.84Å; R463-S555 PolarHBondContact NH2-O 2.75Å; D552-S555 WeakPolarHBondContact CA-OG 3.47Å
556S56.7Low63.7Low62 Ų6276.8 Ų76.843%0.43450%0.497SS..  trans-106.2152.5168-87.90000110.7L458 A460L458-S556 PolarHBondContact O-OG 3.02Å; A460-S556 PolarHBondContact N-OG 3Å
557A53Low62.5Low70 Ų7073.7 Ų73.758%0.57948%0.481SS*.SBendtrans62.660.6173.600000116.4
558Q51Low61.6Low142 Ų14271.3 Ų71.366%0.66446%0.464SS*.  trans-130.9131.8146.7-75.5-64-84.500109.7S456S456-Q558 WeakPolarHBondContact CB-O 3.45Å
559P46.4Very low61.3Low79 Ų7968.6 Ų68.651%0.51345%0.448SS..  trans-58.8146.3159-17.331.1000109.3G561P559-G561 VanDerWaalsContact C-N 3.28Å; P559-G561 PolarHBondContact O-N 2.92Å
560A42.4Very low60.5Low80 Ų8067.8 Ų67.866%0.66144%0.443SS*.  trans-71.779.5-177.700000112.3A562A560-A562 VanDerWaalsContact C-N 3.31Å; A560-A562 PolarHBondContact O-N 3.3Å
561G40.3Very low59.6Low73 Ų7368.9 Ų68.975%0.75345%0.453SS*.  trans-68.884.8170.400000111.2P559 S563P559-G561 VanDerWaalsContact C-N 3.28Å; P559-G561 PolarHBondContact O-N 2.92Å; G561-S563 PolarHBondContact O-N 3.13Å
562A37.4Very low59.1Low101 Ų10166.4 Ų66.484%0.83545%0.451SS*.  trans34.855.9168.600000115.8A560A560-A562 VanDerWaalsContact C-N 3.31Å; A560-A562 PolarHBondContact O-N 3.3Å
563S36.7Very low58.4Low49 Ų4964.8 Ų64.834%0.34345%0.447SS..  trans-60.9156.8171.561.70000111.7N495 G561 S565N495-S563 PolarHBondContact ND2-OG 3.2Å; G561-S563 PolarHBondContact O-N 3.13Å; S563-S565 PolarHBondContact O-N 2.73Å
564S44.8Very low57.7Low85 Ų8564.1 Ų64.159%0.59444%0.443SS*.  trans-34.4128-179.9290000114.7W566S564-W566 VanDerWaalsContact C-N 3.34Å; S564-W566 PolarHBondContact O-N 3.49Å
565S54.4Low57.5Low106 Ų10663 Ų6374%0.74143%0.425SS*.SBendtrans-79.365.4-161.8179.50000115S563S563-S565 PolarHBondContact O-N 2.73Å
566W57.3Low57Low76 Ų7664.2 Ų64.229%0.28843%0.434SS..SBendtrans-82.8-44166.2-70.8-30.8000112.4S531 K535 T538 I549 S564S531-W566 PolarHBondContact OG-O 2.72Å; K535-W566 HydrophobicContact CB-CE3 4.41Å; K535-W566 HydrophobicContact CB-CZ3 4.37Å; K535-W566 HydrophobicContact CD-CE3 4.13Å; K535-W566 HydrophobicContact CD-CZ3 4.04Å; K535-W566 HydrophobicContact CG-CE3 4.19Å; K535-W566 HydrophobicContact CG-CH2 4.46Å; K535-W566 HydrophobicContact CG-CZ3 3.83Å; T538-W566 HydrophobicContact CG2-CH2 4.22Å; T538-W566 HydrophobicContact CG2-CZ2 4.08Å; I549-W566 HydrophobicContact CD1-CH2 3.75Å; I549-W566 HydrophobicContact CD1-CZ3 4.39Å; I549-W566 HydrophobicContact CG1-CH2 3.9Å; I549-W566 HydrophobicContact CG1-CZ3 4.17Å; I549-W566 HydrophobicContact CG2-CZ3 4.44Å; S564-W566 VanDerWaalsContact C-N 3.34Å; S564-W566 PolarHBondContact O-N 3.49Å
567A60.4Low57.3Low2 Ų263.4 Ų63.42%0.01742%0.424CS..SBendtrans-111.920.1-176.900000115.7A491 W569 A570 V571A491-A567 WeakPolarHBondContact O-CB 3.23Å; A567-W569 PolarHBondContact O-N 2.97Å; A567-W569 VanDerWaalsContact O-N 3.15Å; A567-A570 HydrophobicContact CB-CB 4.39Å; A567-A570 WeakPolarHBondContact O-CA 3.24Å; A567-A570 WeakPolarHBondContact O-CB 3.39Å; A567-A570 PolarHBondContact O-N 2.9Å; A567-V571 PolarHBondContact O-N 3.17Å
568G63.3Low57.7Low28 Ų2860.4 Ų60.429%0.28940%0.398SS..Hα-helixtrans-55.1-35.6-177.400000114.2A570 V571 T572G568-A570 VanDerWaalsContact C-N 3.29Å; G568-A570 PolarHBondContact O-N 3.25Å; G568-V571 PolarHBondContact O-N 2.97Å; G568-T572 PolarHBondContact O-N 3.29Å; G568-T572 VanDerWaalsContact O-N 3.15Å; G568-T572 PolarHBondContact O-OG1 3.17Å
569W77.6Confident57.9Low86 Ų8657.2 Ų57.233%0.32639%0.392SS..Hα-helixtrans-61.5-34.1173.464.7-89.7000113L488 A491 K527 A528 A567 G573L488-W569 HydrophobicContact CD2-CE3 4.44Å; L488-W569 HydrophobicContact CD2-CZ3 3.76Å; A491-W569 HydrophobicContact CB-CH2 4.07Å; A491-W569 HydrophobicContact CB-CZ2 4.08Å; K527-W569 HydrophobicContact CB-CE3 4.32Å; K527-W569 HydrophobicContact CB-CH2 3.42Å; K527-W569 VanDerWaalsContact CB-CH2 3.42Å; K527-W569 HydrophobicContact CB-CZ2 3.65Å; K527-W569 HydrophobicContact CB-CZ3 3.77Å; K527-W569 HydrophobicContact CD-CE3 4.31Å; K527-W569 HydrophobicContact CD-CZ3 4.17Å; A528-W569 HydrophobicContact CB-CH2 4.3Å; A567-W569 PolarHBondContact O-N 2.97Å; A567-W569 VanDerWaalsContact O-N 3.15Å; W569-G573 PolarHBondContact O-N 2.93Å
570A64.3Low58.4Low0 Ų060.5 Ų60.50%040%0.398CS..Hα-helixtrans-77-36.8179.500000111.5L488 A491 A567 G568 T572 G573 V574L488-A570 HydrophobicContact CD2-CB 4.25Å; A491-A570 HydrophobicContact CB-CB 3.46Å; A491-A570 VanDerWaalsContact CB-CB 3.46Å; A567-A570 HydrophobicContact CB-CB 4.39Å; A567-A570 WeakPolarHBondContact O-CA 3.24Å; A567-A570 WeakPolarHBondContact O-CB 3.39Å; A567-A570 PolarHBondContact O-N 2.9Å; G568-A570 VanDerWaalsContact C-N 3.29Å; G568-A570 PolarHBondContact O-N 3.25Å; A570-T572 VanDerWaalsContact C-N 3.28Å; A570-T572 PolarHBondContact O-N 3.41Å; A570-G573 CarbonylContact O-C 3.37Å; A570-G573 WeakPolarHBondContact O-CA 3.38Å; A570-G573 PolarHBondContact O-N 3.46Å; A570-V574 WeakPolarHBondContact O-CG2 3.45Å; A570-V574 PolarHBondContact O-N 3.48Å
571V67.9Low58.8Low74 Ų7457 Ų5745%0.44837%0.368SS..Hα-helixtrans-59.6-41.6171.7-179.10000110.5A492 A567 G568 S575A492-V571 HydrophobicContact CB-CG2 4.42Å; A567-V571 PolarHBondContact O-N 3.17Å; G568-V571 PolarHBondContact O-N 2.97Å; V571-S575 VanDerWaalsContact O-CB 3.22Å; V571-S575 WeakPolarHBondContact O-CB 3.37Å; V571-S575 PolarHBondContact O-N 3.19Å; V571-S575 PolarHBondContact O-OG 3.48Å
572T73.5Confident59.3Low100 Ų10058.4 Ų58.461%0.61336%0.358SS*.Hα-helixtrans-65.1-38.9171-580000112.2G568 A570 S575 S576G568-T572 PolarHBondContact O-N 3.29Å; G568-T572 VanDerWaalsContact O-N 3.15Å; G568-T572 PolarHBondContact O-OG1 3.17Å; A570-T572 VanDerWaalsContact C-N 3.28Å; A570-T572 PolarHBondContact O-N 3.41Å; T572-S575 CarbonylContact O-C 3.56Å; T572-S575 PolarHBondContact O-N 2.97Å; T572-S576 WeakPolarHBondContact O-CB 3.12Å; T572-S576 PolarHBondContact O-N 2.87Å
573G65.8Low59.5Low20 Ų2063.7 Ų63.721%0.20636%0.356CS..Hα-helixtrans-61.8-52.8175.200000113.8W569 A570 S575 S576 L577W569-G573 PolarHBondContact O-N 2.93Å; A570-G573 CarbonylContact O-C 3.37Å; A570-G573 WeakPolarHBondContact O-CA 3.38Å; A570-G573 PolarHBondContact O-N 3.46Å; G573-S575 PolarHBondContact O-N 2.95Å; G573-S576 WeakPolarHBondContact O-CB 3.46Å; G573-S576 PolarHBondContact O-N 3.47Å; G573-L577 PolarHBondContact O-N 3.38Å
574V67.4Low59.6Low8 Ų866.5 Ų66.55%0.04837%0.367CS..Hα-helixtrans-60-36.8174.4-179.40000110.5V449 K453 L488 A492 A570 L577 T578V449-V574 HydrophobicContact CG1-CG1 4.03Å; K453-V574 HydrophobicContact CD-CG1 4.47Å; K453-V574 HydrophobicContact CG-CG1 4.11Å; L488-V574 HydrophobicContact CB-CG2 3.74Å; A492-V574 HydrophobicContact CB-CG2 3.83Å; A570-V574 WeakPolarHBondContact O-CG2 3.45Å; A570-V574 PolarHBondContact O-N 3.48Å; V574-L577 PolarHBondContact O-N 3.1Å; V574-T578 PolarHBondContact O-N 2.59Å; V574-T578 PolarHBondContact O-OG1 2.94Å
575S70.8Confident59Low41 Ų4168.9 Ų68.929%0.28737%0.373SS..Hα-helixtrans-70.4-35.9176.2-61.70000113.1V571 T572 G573 T578 S579V571-S575 VanDerWaalsContact O-CB 3.22Å; V571-S575 WeakPolarHBondContact O-CB 3.37Å; V571-S575 PolarHBondContact O-N 3.19Å; V571-S575 PolarHBondContact O-OG 3.48Å; T572-S575 CarbonylContact O-C 3.56Å; T572-S575 PolarHBondContact O-N 2.97Å; G573-S575 PolarHBondContact O-N 2.95Å; S575-T578 CarbonylContact O-C 3.58Å; S575-T578 WeakPolarHBondContact O-CA 3.31Å; S575-T578 VanDerWaalsContact O-CB 3.31Å; S575-T578 WeakPolarHBondContact O-CB 3.49Å; S575-T578 PolarHBondContact O-N 3.39Å; S575-S579 PolarHBondContact O-N 3.43Å; S575-S579 PolarHBondContact O-OG 3.18Å
576S66.4Low57.9Low67 Ų6769.4 Ų69.447%0.46937%0.374SS..Hα-helixtrans-64.2-41.9172.6-177.10000112.1T572 G573 T578 S579 K580T572-S576 WeakPolarHBondContact O-CB 3.12Å; T572-S576 PolarHBondContact O-N 2.87Å; G573-S576 WeakPolarHBondContact O-CB 3.46Å; G573-S576 PolarHBondContact O-N 3.47Å; S576-T578 PolarHBondContact O-N 2.85Å; S576-S579 PolarHBondContact O-N 3.46Å; S576-K580 PolarHBondContact O-N 3.02Å
577L61.9Low56.7Low45 Ų4569.3 Ų69.324%0.23640%0.397CS..Hα-helixtrans-60.7-35.7168.7-65.3177.3000111.6V449 A485 L488 G573 V574 K580 L581V449-L577 HydrophobicContact CG2-CB 4.24Å; V449-L577 HydrophobicContact CG2-CD1 4.15Å; A485-L577 HydrophobicContact CB-CD1 4.32Å; L488-L577 HydrophobicContact CD1-CD1 3.84Å; G573-L577 PolarHBondContact O-N 3.38Å; V574-L577 PolarHBondContact O-N 3.1Å; L577-K580 PolarHBondContact O-N 2.89Å; L577-L581 PolarHBondContact O-N 2.68Å
578T60.8Low55.1Low6 Ų673 Ų734%0.03744%0.435CS..Hα-helixtrans-71.3-32.8175.4-47.30000113.1L412 K453 V574 S575 S576 K580 L581 I582L412-T578 HydrophobicContact CD1-CG2 4.25Å; K453-T578 HydrophobicContact CD-CG2 4.44Å; K453-T578 VanDerWaalsContact CE-OG1 3.24Å; K453-T578 WeakPolarHBondContact CE-OG1 3.28Å; K453-T578 PolarHBondContact NZ-OG1 2.87Å; V574-T578 PolarHBondContact O-N 2.59Å; V574-T578 PolarHBondContact O-OG1 2.94Å; S575-T578 CarbonylContact O-C 3.58Å; S575-T578 WeakPolarHBondContact O-CA 3.31Å; S575-T578 VanDerWaalsContact O-CB 3.31Å; S575-T578 WeakPolarHBondContact O-CB 3.49Å; S575-T578 PolarHBondContact O-N 3.39Å; S576-T578 PolarHBondContact O-N 2.85Å; T578-K580 PolarHBondContact O-N 3.17Å; T578-L581 HydrophobicContact CG2-CB 4.47Å; T578-L581 HydrophobicContact CG2-CD2 4.1Å; T578-L581 WeakPolarHBondContact O-CA 3.47Å; T578-L581 VanDerWaalsContact O-CB 3.26Å; T578-L581 WeakPolarHBondContact O-CB 3.31Å; T578-L581 PolarHBondContact O-N 3.33Å; T578-L581 VanDerWaalsContact O-N 3.12Å; T578-I582 HydrophobicContact CG2-CD1 3.78Å; T578-I582 HydrophobicContact CG2-CG1 4.12Å; T578-I582 WeakPolarHBondContact O-CG1 3.27Å; T578-I582 PolarHBondContact O-N 3.26Å
579S55.3Low53.5Low76 Ų7681.6 Ų81.653%0.53147%0.467SS..Hα-helixtrans-64.7-32.6175-610000111.5S575 S576 R583S575-S579 PolarHBondContact O-N 3.43Å; S575-S579 PolarHBondContact O-OG 3.18Å; S576-S579 PolarHBondContact O-N 3.46Å; S579-R583 VanDerWaalsContact O-CB 3.26Å; S579-R583 WeakPolarHBondContact O-CB 3.33Å; S579-R583 PolarHBondContact O-N 3.17Å
580K58.5Low51.1Low148 Ų14881.4 Ų81.464%0.64349%0.493SS*.Hα-helixtrans-72.1-41168.9-62.4-174.5178.9-172.10111.9S576 L577 T578 I582 N584S576-K580 PolarHBondContact O-N 3.02Å; L577-K580 PolarHBondContact O-N 2.89Å; T578-K580 PolarHBondContact O-N 3.17Å; K580-I582 PolarHBondContact O-N 2.81Å; K580-N584 PolarHBondContact O-OD1 3.24Å
581L50.4Low49.3Very low5 Ų587.4 Ų87.43%0.02654%0.535CS..Hα-helixtrans-54.4-48.3175.5-175.977.1000112.5K409 L412 N446 L577 T578K409-L581 HydrophobicContact CD-CD1 4.18Å; K409-L581 HydrophobicContact CD-CG 4.06Å; K409-L581 WeakPolarHBondContact CD-O 3.28Å; K409-L581 VanDerWaalsContact CE-CD1 3.49Å; K409-L581 WeakPolarHBondContact CE-O 3.42Å; K409-L581 HydrophobicContact CG-CD1 3.81Å; K409-L581 HydrophobicContact CG-CD2 4.07Å; K409-L581 HydrophobicContact CG-CG 3.74Å; K409-L581 PolarHBondContact NZ-O 2.91Å; L412-L581 HydrophobicContact CD1-CD2 4.1Å; N446-L581 HydrophobicContact CB-CD1 3.55Å; N446-L581 VanDerWaalsContact ND2-CD1 3.32Å; N446-L581 WeakPolarHBondContact ND2-CD1 3.46Å; N446-L581 VanDerWaalsContact OD1-CD1 3.26Å; N446-L581 WeakPolarHBondContact OD1-CD1 3.42Å; L577-L581 PolarHBondContact O-N 2.68Å; T578-L581 HydrophobicContact CG2-CB 4.47Å; T578-L581 HydrophobicContact CG2-CD2 4.1Å; T578-L581 WeakPolarHBondContact O-CA 3.47Å; T578-L581 VanDerWaalsContact O-CB 3.26Å; T578-L581 WeakPolarHBondContact O-CB 3.31Å; T578-L581 PolarHBondContact O-N 3.33Å; T578-L581 VanDerWaalsContact O-N 3.12Å
582I49.6Very low47.4Very low104 Ų10488.3 Ų88.353%0.53355%0.55SS..Hα-helixtrans-78.9-36.2-173.5-65.4173.2000112T578 K580 N584T578-I582 HydrophobicContact CG2-CD1 3.78Å; T578-I582 HydrophobicContact CG2-CG1 4.12Å; T578-I582 WeakPolarHBondContact O-CG1 3.27Å; T578-I582 PolarHBondContact O-N 3.26Å; K580-I582 PolarHBondContact O-N 2.81Å; I582-N584 PolarHBondContact O-N 3.1Å
583R42.2Very low45.2Very low212 Ų21288.5 Ų88.580%0.856%0.562SS**Hα-helixtrans-78.8-11.8-170.8-171.5168.4-75-167.6-4.2115.2S579 N585S579-R583 VanDerWaalsContact O-CB 3.26Å; S579-R583 WeakPolarHBondContact O-CB 3.33Å; S579-R583 PolarHBondContact O-N 3.17Å; R583-N585 PolarHBondContact O-N 3.39Å
584N39.1Very low43.2Very low107 Ų10792.5 Ų92.557%0.57259%0.593SS**  trans-72.484.9-178-8528.3000113.2K580 I582K580-N584 PolarHBondContact O-OD1 3.24Å; I582-N584 PolarHBondContact O-N 3.1Å
585N32.8Very low41.2Very low136 Ų136101.6 Ų101.673%0.72764%0.635SS**  trans-80.8142.3160.7-153.242.5000109.1R583 G587R583-N585 PolarHBondContact O-N 3.39Å; N585-G587 PolarHBondContact O-N 3.15Å
586P31.6Very low39Very low116 Ų116103.6 Ų103.675%0.75366%0.662SS**SBendtrans-7885.4-174.531.2-34.6000111.9
587G31.5Very low37.1Very low75 Ų75106.4 Ų106.477%0.77368%0.681SS**SBendtrans171.282.3176.800000112.8N585N585-G587 PolarHBondContact O-N 3.15Å
588G27.6Very low35.4Very low79 Ų79107.2 Ų107.281%0.81470%0.701SS**  trans141.684.3175.700000113.7
589E28.5Very low33.9Very low208 Ų208113.6 Ų113.697%0.97274%0.742SS**  trans-99.9142.7159.9-69.6-165.1127.600109.5
590G28Very low32.5Very low83 Ų83115.7 Ų115.786%0.85676%0.757SS**  trans114.785168.700000115.9
591S25.6Very low30.9Very low126 Ų126114.2 Ų114.288%0.88177%0.765SS**  trans-151.2136.6135.4-166.50000109.8
592A28.2Very low29.8Very low93 Ų93118.6 Ų118.677%0.76980%0.802SS**  trans-86.6166.8-178.200000111.5
593A26.7Very low28.8Very low104 Ų104120.4 Ų120.486%0.8682%0.818SS**  trans-71.3140.1178.300000112.1
594A24.5Very low28Very low104 Ų104115.6 Ų115.686%0.8682%0.817SS**  trans-116.9126.3162.200000108.6
595E26.4Very low27.6Very low199 Ų199116.7 Ų116.793%0.9383%0.83SS**  trans-90.5153.8173.2-65.3-171.4129.500110.9
596G24.6Very low27.2Very low83 Ų83117 Ų11786%0.85684%0.837SS**  trans105.874.9153.400000117.9
597S26.2Very low27Very low126 Ų126117.3 Ų117.388%0.88184%0.842SS**  trans-140.9142.6147.860.40000110.7
598G25.8Very low26.8Very low62 Ų62118.1 Ų118.164%0.63984%0.841SS**PPolyproline II helixtrans-81.3161.3-172.500000113.9S600G598-S600 PolarHBondContact O-N 3.19Å
599P29.1Very low26.8Very low139 Ų139120.3 Ų120.390%0.90384%0.839SS**PPolyproline II helixtrans-71.6116.6-174.528.8-34.6000112.3
600S25.2Very low26.8Very low121 Ų121118 Ų11885%0.84683%0.834SS**PPolyproline II helixtrans-68.8139.1164.1-52.30000110.3G598 A602G598-S600 PolarHBondContact O-N 3.19Å; S600-A602 PolarHBondContact O-N 3.42Å
601S25.8Very low26.7Very low116 Ų116117.6 Ų117.681%0.81183%0.829SS**PPolyproline II helixtrans-69.8123.2-172.2520000113.4
602A27.6Very low26.8Very low98 Ų98116.1 Ų116.181%0.8182%0.824SS**PPolyproline II helixtrans-73.4147.816000000110.6S600S600-A602 PolarHBondContact O-N 3.42Å
603T27.2Very low26.9Very low142 Ų142117.4 Ų117.487%0.87183%0.827SS**PPolyproline II helixtrans-81.2142.4-174.837.30000113.4
604S27Very low26.9Very low111 Ų111115.9 Ų115.978%0.77682%0.815SS**  trans-109.7146.2168.7-65.40000110.1
605P30.1Very low27.1Very low129 Ų129119 Ų11984%0.83882%0.817SS**  trans-72.4151.9-176.329.9-35.6000113
606T24.2Very low27.2Very low142 Ų142114.1 Ų114.187%0.87180%0.804SS**  trans-76.6133.9-17849.30000113.5
607S27Very low27.4Very low123 Ų123117.2 Ų117.286%0.8679%0.794SS**  trans-133.6141.3158.7-700000108.5
608A27Very low27.4Very low92 Ų92118 Ų11876%0.7678%0.784SS**  trans-88.2147.2-172.400000113
609T28.7Very low27.4Very low125 Ų125121 Ų12177%0.76779%0.785SS**  -179.2146.4106.436.30000111.3
610D27.7Very low27.3Very low161 Ų161121.2 Ų121.286%0.86177%0.772SS**  trans21.2144151.5-56-35.3000122.9
611G26Very low27.3Very low73 Ų73120.9 Ų120.975%0.75377%0.765SS**  129.959.6114.400000121.2
612A28.9Very low27.4Very low95 Ų95123 Ų12379%0.78576%0.762SS**  trans68.6141.8143.300000122.5
613S28.4Very low27.3Very low120 Ų120125 Ų12584%0.83976%0.758SS**  trans70.8153149.3-65.20000120.7
614A28.4Very low27.3Very low73 Ų73122.7 Ų122.760%0.60375%0.748SS**  cis-174.5144.5-27.100000109.4
615L28.4Very low27.2Very low170 Ų170122.7 Ų122.789%0.8975%0.748SS**  trans63.3163.9163.1-59.8156.3000114.7
616S27.4Very low27.1Very low96 Ų96121.9 Ų121.967%0.67175%0.745SS**  cis-161.8171.7-3157.80000106
617K29Very low27.3Very low147 Ų147119.5 Ų119.564%0.63973%0.734SS**  cis-171.2157.329.7-145.8169.4-174.3-68.90109.6
618E26.7Very low27.5Very low144 Ų144121.1 Ų121.167%0.67373%0.728SS**  trans31.7130.3153.1-71.9143.3-153.800122.3
619D26.1Very low27.7Very low123 Ų123125 Ų12566%0.65873%0.73SS**  67.4140.771.4-108.127.6000114.4
620K27.4Very low27.5Very low144 Ų144121.9 Ų121.963%0.62672%0.723SS**  cis-172.9166-8.2-141.2-172.2-150.275.80109.6
621T25.3Very low27.6Very low114 Ų114119.1 Ų119.170%0.69972%0.723SS**  trans60.3160.2151.445.50000120.5
622Q26.8Very low27.9Very low160 Ų160121.2 Ų121.275%0.74873%0.726SS**  cis-174.1172.9-36.3-141-177.7-3.200109.6
623L26.5Very low27.9Very low141 Ų141122.9 Ų122.974%0.73872%0.722SS**  trans65.6164.8163.6-88.970.4000118.2
624S26Very low27.9Very low94 Ų94126.9 Ų126.966%0.65772%0.719SS**  cis-178126.3-45.654.90000113
625S26Very low27.9Very low111 Ų111130.7 Ų130.778%0.77673%0.734SS**  trans-178133.3156.440.80000108.2
626S27.1Very low27.9Very low111 Ų111129.3 Ų129.378%0.77673%0.728SS**  67.5125.252.778.40000113.2
627S29Very low27.9Very low92 Ų92133.1 Ų133.164%0.64374%0.735SS**  cis-174.2153.811.849.30000114.3
628H30.1Very low27.9Very low158 Ų158131.3 Ų131.373%0.73174%0.741SS**  trans59.7151.7153.4-63.6-52.2000119.5
629H31Very low28.5Very low172 Ų172130 Ų13080%0.79675%0.745SS**  cis-157.4174.5-6.2-105.4-51.1000107.4
630G26.3Very low28.7Very low61 Ų61130.3 Ų130.363%0.62975%0.751SS**  cis146.4126.1-5.500000113.8
631A28.9Very low29.2Very low103 Ų103128.2 Ų128.285%0.85175%0.752SS**  trans68.3158.8174.700000116.4
632S31.5Very low29.1Very low117 Ų117131.3 Ų131.382%0.81876%0.759SS**  cis-171.9160.4-0.625.60000108.1
633D29Very low29.1Very low130 Ų130127.7 Ų127.770%0.69576%0.757SS**  cis-161.1-176.5-12.2-175.428000108.9
634R28.9Very low29.2Very low204 Ų204126.7 Ų126.777%0.7776%0.757SS**  trans-31.3152.2175.7-64149.5165.6167-9.6119.7
635T28.9Very low29.2Very low152 Ų152129.3 Ų129.393%0.93376%0.763SS**  -168.9-165.5106.127.40000112.2
636N27.6Very low29.3Very low142 Ų142130.1 Ų130.176%0.75976%0.759SS**  trans-140.7169-145.4-16613.7000113.9
637Q28.4Very low29.4Very low176 Ų176131.4 Ų131.482%0.82276%0.757SS**  trans79.9149.5164.5-67.8168.54.900119.9
638S28.3Very low29.4Very low109 Ų109136.3 Ų136.376%0.76277%0.77SS**  trans-118.4174.7177.564.20000109.1
639P39.3Very low29.4Very low116 Ų116136.6 Ų136.675%0.75377%0.771SS**  -149.4-170.766.239.7-17000117.2
640T29.4Very low29.2Very low129 Ų129135.3 Ų135.379%0.79177%0.766SS**  trans-53.3172.6173.640.50000116.5
641P38.6Very low29.2Very low100 Ų100139.8 Ų139.865%0.64977%0.774SS**  cis-135.7-156.328.439.8-16000114.4
642E24.2Very low29Very low179 Ų179138.4 Ų138.484%0.83677%0.769SS**  cis-161.2151.511.2-151.5129.2-103.100113.2
643A26.8Very low28.8Very low85 Ų85139.5 Ų139.570%0.70277%0.766SS**  trans-174.3107.6166.300000109.9
644T27.3Very low28.6Very low120 Ų120143.6 Ų143.674%0.73677%0.772SS**  711008562.50000117.7
645D27.2Very low28.8Very low149 Ų149143.6 Ų143.680%0.79777%0.772SS**  78.1137.4127.5-63.71000125.4
646N27.7Very low28.8Very low128 Ų128142.8 Ų142.868%0.68476%0.762SS**  trans81.9120.9152.5-68.117000123.3
647D29Very low29.1Very low138 Ų138142.5 Ų142.574%0.73876%0.76SS**  50.2145.3125.7-42.8-31.6000120.2
648E29.2Very low29.4Very low194 Ų194142.6 Ų142.691%0.90776%0.761SS**  cis-144.3-179.834-64.6177.7126.600113.7
649E29.3Very low29.7Very low164 Ų164144.5 Ų144.577%0.76676%0.757SS**  trans-77.5-179.2167.8-50.3-172.3156.800111.7
650Q27.1Very low29.5Very low146 Ų146145.4 Ų145.468%0.68276%0.756SS**  cis-168.4175.618.9-150.8-178.97100111.4
651I26.4Very low30.7Very low155 Ų155148.2 Ų148.280%0.79575%0.752SS**  trans76.2135.8159.7-58.1155.5000118.1
652G25.2Very low30.5Very low73 Ų73146 Ų14675%0.75375%0.748SS**  trans157.254.2165.700000119.2
653D27.2Very low30.8Very low140 Ų140143.2 Ų143.275%0.74975%0.748SS**  trans17116.1163.7-57.6-12000121
654R24.3Very low31Very low217 Ų217146.8 Ų146.882%0.81975%0.754SS**PPolyproline II helixtrans-99.9120.8163.6177.7178.2179.7158.8-1.7110.3D657R654-D657 IonicContact CZ-OD2 3.48Å; R654-D657 IonicContact NE-OD2 3.44Å; R654-D657 PolarHBondContact NE-OD2 3.26Å; R654-D657 IonicContact NH2-OD2 2.69Å; R654-D657 PolarHBondContact NH2-OD2 3Å
655W33.4Very low31.3Very low203 Ų203149.9 Ų149.977%0.76976%0.761SS**PPolyproline II helixtrans-89.2163.5175.3-77.674.3000112.9
656D28.8Very low31.5Very low136 Ų136150.5 Ų150.573%0.72776%0.764SS**PPolyproline II helixtrans-57142-157.7-56.9-68.3000117.9
657D33.7Very low31.9Very low136 Ų136150.1 Ų150.173%0.72777%0.768SS**  trans-10743.7166.8-81-63000110.9R654R654-D657 IonicContact CZ-OD2 3.48Å; R654-D657 IonicContact NE-OD2 3.44Å; R654-D657 PolarHBondContact NE-OD2 3.26Å; R654-D657 IonicContact NH2-OD2 2.69Å; R654-D657 PolarHBondContact NH2-OD2 3Å
658E35.6Very low32Very low177 Ų177153 Ų15383%0.82778%0.777SS**  trans-128.174.5-172.2-135.7177.1-124.500115.3
659E33.4Very low31.9Very low149 Ų149153.1 Ų153.170%0.69678%0.775SS**  trans-137.167.8153.1-86.2-158.4155.200109.2
660D35.2Very low31.7Very low136 Ų136149.4 Ų149.473%0.72777%0.772SS**  trans-75.8127.1173.7-17537.5000111.6G662D660-G662 PolarHBondContact O-N 3.42Å
661W56.2Low31.6Very low188 Ų188150.4 Ų150.471%0.71278%0.777SS**THydrogen-bonded Turntrans-8539.6179.5-85.272.6000112
662G33.5Very low31.5Very low54 Ų54147.7 Ų147.756%0.55777%0.768SS**THydrogen-bonded Turntrans-105.7-30.7-173.400000115.8D660 L664D660-G662 PolarHBondContact O-N 3.42Å; G662-L664 PolarHBondContact O-N 3.45Å
663S30.3Very low31.6Very low119 Ų119152.1 Ų152.183%0.83277%0.768SS**  trans-92.893.9-169.5-164.80000113.2
664L31.6Very low31.4Very low161 Ų161151.9 Ų151.984%0.84377%0.767SS**  trans-153.946.6165-131.2174.4000112.4G662G662-L664 PolarHBondContact O-N 3.45Å
665E33.5Very low31.5Very low185 Ų185151.9 Ų151.986%0.86477%0.768SS**  trans-122.2106.6166.3-68.4-170.6165.200108.8P667E665-P667 WeakPolarHBondContact O-CD 3.33Å
666D30.9Very low31.1Very low161 Ų161147.7 Ų147.786%0.86176%0.76SS**  trans-76.8133.2173.6-78.3-46.2000111.4
667P36.4Very low31.1Very low121 Ų121146.4 Ų146.479%0.78676%0.757SS**  trans-130.292.7163.835.7-17.6000111.4E665E665-P667 WeakPolarHBondContact O-CD 3.33Å
668E30Very low30.7Very low197 Ų197146 Ų14692%0.92176%0.755SS**  trans-145.3145.3162.9-136.9170.6-128.400114.1
669K27.2Very low30.2Very low198 Ų198147.4 Ų147.486%0.86175%0.753SS**  trans-156.4109.5-176-158.3-177.2-167.6-179.50111.1
670A26Very low29.9Very low85 Ų85145.5 Ų145.570%0.70276%0.756SS**  trans71.1156.617700000114.3
671Q25.4Very low29.4Very low168 Ų168142.7 Ų142.779%0.78576%0.76SS**  cis-153.4163.817.6-147.2167.9-26.200111.8
672T24.2Very low28Very low98 Ų98138.5 Ų138.560%0.60177%0.765SS**  trans7.1141.3152.151.40000119.4
673E26.6Very low27.7Very low165 Ų165140.8 Ų140.877%0.77178%0.779SS**  cis-161.6-178.733.1-115.4138.7-139.800108
674D24Very low27.6Very low135 Ų135139.9 Ų139.972%0.72277%0.772SS**  cis-151.2-17617.2-156.21.1000112.3
675W24.9Very low27.4Very low218 Ų218136 Ų13683%0.82676%0.758SS**  trans-71.4177.9-171.9-6539.7000114
676N26.4Very low27.1Very low114 Ų114135 Ų13561%0.6175%0.751SS**  cis-171.716532.5-159.22.8000114.8
677T27.3Very low27Very low109 Ų109136.1 Ų136.167%0.66975%0.748SS**  trans63.7143.6152.734.90000120.2
678D25.9Very low26.6Very low129 Ų129139.6 Ų139.669%0.6975%0.751SS**  cis-165.4180-10.4-149.1-19.1000112.6
679W26Very low26.6Very low205 Ų205134 Ų13478%0.77774%0.739SS**  trans90.872.7142.8-131.3-88.1000123
680S27.1Very low26.7Very low110 Ų110131.3 Ų131.377%0.76974%0.739SS**  74.4175.5129.387.30000121.1
681G24.9Very low27.1Very low77 Ų77133.7 Ų133.779%0.79474%0.74SS**  trans122.3102.3155.200000115.2
682A25.2Very low27.3Very low100 Ų100136.7 Ų136.783%0.82674%0.744SS**  trans-115.7165.3178.800000112.9
683A27.6Very low27.5Very low102 Ų102135.4 Ų135.484%0.84375%0.751SS**  trans71.9156.5165.800000117.4
684S27.9Very low27.7Very low99 Ų99133 Ų13369%0.69276%0.759SS**  cis-176.5162.4-21.71760000109.7
685S28.4Very low27.9Very low79 Ų79129.8 Ų129.855%0.55276%0.757SS**  trans75.4154.3154.1-64.70000118.2
686K27.1Very low28.2Very low165 Ų165131 Ų13172%0.71776%0.762SS**  cis-168.9142.3-12.4-108.3164.9-165.3123.80111.6
687K28.3Very low28.3Very low184 Ų184129.9 Ų129.980%0.876%0.763SS**  trans67.3163.4144.9-67.4177.8176.5-177.90117.3
688K27.3Very low28.3Very low194 Ų194130 Ų13084%0.84377%0.768SS**  cis-149.4166.210.5-148-178.8174.9-169.10114.1
689A31.4Very low28.4Very low81 Ų81128.1 Ų128.167%0.66977%0.771SS**  trans-46.8166.1172.500000117
690T28.5Very low28.5Very low141 Ų141123.4 Ų123.487%0.86577%0.769SS**  -152.717767.4490000113.9
691D34.3Very low28.6Very low134 Ų134127.1 Ų127.172%0.71778%0.777SS**  cis175.6162.2-38.4179.937.1000107.9
692R30.4Very low28.7Very low231 Ų231127.1 Ų127.187%0.87277%0.769SS**  trans77.7130.9176.5-53.3-179.5171.5-169.3-4.9117.2
693G28.3Very low28.7Very low72 Ų72128.3 Ų128.374%0.74277%0.766SS**  cis172.6148.6-11.300000116
694A30.4Very low28.6Very low114 Ų114131.9 Ų131.994%0.94276%0.762SS**  trans61.5132.7165.100000120.1
695G27.6Very low28.3Very low67 Ų67135.4 Ų135.469%0.69177%0.765SS**  cis155.5147-20.200000117.2
696R31.4Very low28.1Very low244 Ų244138.8 Ų138.892%0.92177%0.772SS**  trans74.3144.3158.8-55.4168.373.4164.93.2116.4
697S28.6Very low27.9Very low91 Ų91135.8 Ų135.864%0.63677%0.772SS**  cis-161.3129.6-8.635.40000109.6
698S28.3Very low27.8Very low111 Ų111132.7 Ų132.778%0.77677%0.773SS**  70.9111.490.3-43.40000113.8
699A26.6Very low27.6Very low89 Ų89130.1 Ų130.174%0.73677%0.769SS**  88.4113.692.700000112
700S29.6Very low27.3Very low107 Ų107138.9 Ų138.975%0.74879%0.785SS**  cis102.1138.344.468.40000112
701M28.1Very low27.2Very low188 Ų188137.1 Ų137.193%0.92678%0.778SS**  trans131.1145.1168.5-74.2-106.3-178.400110.4
702A26.9Very low26.7Very low77 Ų77136.7 Ų136.764%0.63679%0.785SS**  cis-172.5-179.4-18.400000109.3
703V26.1Very low26.4Very low124 Ų124130.9 Ų130.975%0.75278%0.781SS**  trans133101.5139.5176.60000116.4
704K24.1Very low26Very low178 Ų178130.4 Ų130.477%0.77478%0.776SS**  trans61121.3140-67.1177.1-174.3170.90123.3
705K23.2Very low25.8Very low173 Ų173137.1 Ų137.175%0.75278%0.777SS**  72.5159.2126.7-72.6-177.6141.2-150.70118.1
706Q23.1Very low25.6Very low150 Ų150141.5 Ų141.570%0.70178%0.784SS**  cis-140.6162.21.8-146163.2-95.100112.3
707S23.8Very low25.4Very low102 Ų102134.4 Ų134.471%0.71378%0.778SS**  trans-83.5156.8170.949.60000113.3
708S25.9Very low25.1Very low118 Ų118137.5 Ų137.583%0.82579%0.787SS**  trans-159.5109.3152.357.80000110.2
709D24.1Very low24.9Very low140 Ų140139.3 Ų139.375%0.74979%0.788SS**  trans-70152.1167.7-57.3-81.1000111.2
710W24.8Very low24.8Very low266 Ų266139.4 Ų139.4100%1.00878%0.784SS**  trans-144.4119.7153.5-122.731.8000109.9
711S25.3Very low24.5Very low103 Ų103146.6 Ų146.672%0.7279%0.794SS**  trans-131.2157.3-177.4-58.70000109.4
712S23.2Very low24.3Very low125 Ų125142.4 Ų142.487%0.87478%0.783SS**  trans70.6145.4-178.8-145.50000113.7
713S24Very low24.2Very low110 Ų110146 Ų14677%0.76979%0.792SS**  cis-142.5159.4-4.641.90000107.4
714G21.8Very low24Very low62 Ų62147.2 Ų147.264%0.63979%0.789SS**  cis116.5122.624.800000108.7
715W25.8Very low24.1Very low254 Ų254145.1 Ų145.196%0.96278%0.78SS**  trans-145.7120174.4-82.991.1000109.4
716D23.8Very low24.2Very low160 Ų160144.6 Ų144.686%0.85678%0.781SS**  trans-103164.9172.6-91.8-62.5000111
717A25.5Very low24.2Very low94 Ų94141 Ų14178%0.77778%0.784SS**  trans67.1158.1169.400000116.3
718D23.3Very low24.2Very low156 Ų156145.9 Ų145.983%0.83480%0.795SS**  cis-144.2171.18-155.2-2.2000111.8
719D24.3Very low24.1Very low150 Ų150143.4 Ų143.480%0.80279%0.788SS**  trans-79.8175.4-171.6-96.7-49.5000116.4
720S23.1Very low24.1Very low91 Ų91145.9 Ų145.964%0.63680%0.795SS**  trans81118.7146.3-161.20000119.9
721W24.8Very low24.2Very low258 Ų258138.4 Ų138.498%0.97778%0.784SS**  -156143.7104.9-111.439.4000110.9
722S24.3Very low24.3Very low99 Ų99139.1 Ų139.169%0.69279%0.789SS**  trans-125.9131.1-171.355.70000112.6
723N22.9Very low24.4Very low153 Ų153137.8 Ų137.882%0.81879%0.785SS**  trans-177140.2157.6-109.813.4000107
724E23.1Very low24.5Very low149 Ų149135.9 Ų135.970%0.69678%0.783SS**  cis62.3132.946.7-64.9-157.4-160.400113.2
725K26.6Very low24.8Very low135 Ų135141.5 Ų141.559%0.58779%0.792SS**  cis-159.8158.318.5-134.5166.4177-77.90111.5
726E23.9Very low24.9Very low162 Ų162137.8 Ų137.876%0.75779%0.786SS**  trans42.4139.5145.9-75.5155.4-178.800123.7
727G23.6Very low24.9Very low74 Ų74132.9 Ų132.976%0.76377%0.773SS**  trans159.775.6152.800000119.4
728Q24.1Very low24.9Very low205 Ų205140.6 Ų140.696%0.95878%0.782SS**  trans14.6147.4146.5-56.2169.96.400121
729G23.3Very low25.1Very low66 Ų66136.2 Ų136.268%0.6877%0.774SS**  cis160.6-178.82.800000112.4
730Q25.6Very low25.1Very low191 Ų191136.1 Ų136.189%0.89377%0.774SS**  trans74.4130.1179.7-54174.10.700115.3
731S25.8Very low25.2Very low109 Ų109136.5 Ų136.576%0.76277%0.769SS**  cis83.3132.927.281.50000114.9
732S27.1Very low25.3Very low118 Ų118135.5 Ų135.583%0.82577%0.765SS**  cis-151.3-175.13.658.60000109.3
733A25.3Very low25.2Very low97 Ų97134 Ų13480%0.80277%0.765SS**  cis-130.1-132.46.700000110.9
734G26Very low25.3Very low70 Ų70136.2 Ų136.272%0.72277%0.771SS**  cis114134.29.400000112
735E28.2Very low25.5Very low180 Ų180138.4 Ų138.484%0.84178%0.781SS**  cis-143.3158.7-1-78177.2141.900111.4
736E28.4Very low25.5Very low176 Ų176140.9 Ų140.982%0.82279%0.794SS**  trans33.9149.8148.7-59.1-176.4-174.500123.2
737G24.5Very low25.6Very low57 Ų57140.4 Ų140.459%0.58880%0.803SS**  cis156.3151.5-3.400000112.7
738W25.1Very low25.6Very low256 Ų256143.5 Ų143.597%0.9780%0.802SS**  trans65.6147175.5-43.289.3000116.1
739G26.2Very low25.7Very low65 Ų65140.5 Ų140.567%0.6780%0.797SS**  cis-177.2160.6-700000111.5
740N25.1Very low25.9Very low148 Ų148142.7 Ų142.779%0.79180%0.798SS**  trans-73.8-177.2173.9-48.78.8000110.6
741D25.5Very low26.5Very low98 Ų98139.3 Ų139.352%0.52479%0.792SS.*  cis-169.6164.718-141.9140.1000111.7
742W25.9Very low26.6Very low237 Ų237139.3 Ų139.390%0.89880%0.799SS**  trans54.9149.7171.1-42106.2000117.6
743G23.9Very low26.5Very low68 Ų68139 Ų13970%0.70180%0.796SS**  cis134.7112.80.400000110.5
744E24.8Very low26.7Very low200 Ų200144.2 Ų144.294%0.93580%0.801SS**  trans-131.1143.4177.2-70-167.9137.300111.6
745E27Very low26.9Very low195 Ų195148.3 Ų148.391%0.91181%0.807SS**  trans-83.9169.2169.7-76.1-177.1111.800111.7
746E25.6Very low27.2Very low186 Ų186147.7 Ų147.787%0.86981%0.808SS**  trans-68.1149.3-175.4-53.8-179.1140.700114.1
747T26.9Very low27.6Very low153 Ų153145 Ų14594%0.93981%0.806SS**  -160.2138.7125.45.90000111.6
748D23.4Very low28.2Very low138 Ų138149.5 Ų149.574%0.73882%0.816SS**  trans-107119.2-166.5-175.815.8000112.8
749V26.5Very low29Very low143 Ų143142.6 Ų142.687%0.86780%0.804SS**  trans-147.4131.1158-169.70000110.2
750T26.4Very low29.3Very low111 Ų111149.2 Ų149.268%0.68182%0.817SS**  trans-118.7-179.8-176.852.40000111.6
751P39.2Very low30.2Very low120 Ų120146.1 Ų146.178%0.77982%0.82SS**  cis-133.6155.8-46.734-19.2000113.7
752A26.6Very low30.7Very low110 Ų110147.6 Ų147.691%0.90983%0.833SS**  trans-16412215400000112.3
753S27.1Very low31.5Very low110 Ų110144.6 Ų144.677%0.76982%0.821SS**  trans-109.4139.4178.154.90000113.2
754K29.2Very low32.2Very low207 Ų207147.4 Ų147.490%0.982%0.82SS**  trans-140.7117163.4-77.5-171.6177.6179.30108.8
755N30.3Very low32.5Very low157 Ų157143 Ų14384%0.8482%0.817SS**  trans-84.1152.2177.8-71.3-4.3000111.7
756L32.8Very low33Very low167 Ų167138.9 Ų138.987%0.87481%0.81SS**  trans-122.1159.3163.9-79.8169.4000108.8
757P36.8Very low33.6Very low120 Ų120135.7 Ų135.778%0.77980%0.795SS**PPolyproline II helixtrans-86.5160.7-151.532.7-37.1000115.9
758L37.2Very low34.3Very low150 Ų150135.8 Ų135.879%0.78578%0.779SS**PPolyproline II helixtrans-83.1158.6170.3-71.2165.1000111.9
759P43.1Very low34.7Very low111 Ų111136.5 Ų136.572%0.72178%0.783SS**PPolyproline II helixtrans-64.1157.7173.5-21.134000114.1
760E32.1Very low34.9Very low204 Ų204140.7 Ų140.795%0.95378%0.784SS**THydrogen-bonded Turntrans-64.6141.8179.5-65.6-175.1109.800113.1
761G43.5Very low34.7Very low83 Ų83142.2 Ų142.286%0.85679%0.788SS**THydrogen-bonded Turntrans115.6-16.4168.400000116.2
762V37.1Very low34Very low130 Ų130141 Ų14179%0.78878%0.782SS**  trans-109.9127.1-177.7-174.30000111.2
763R42.5Very low33.9Very low173 Ų173140.7 Ų140.765%0.65377%0.773SS**  trans-105.1151.5168.1-72.5-174.7-179.3172.7-0.8110.9E767 Y768R763-E767 WeakPolarHBondContact CD-OE2 3.4Å; R763-Y768 PolarHBondContact NH1-OH 3.06Å
764L37.6Very low33.8Very low128 Ų128140.9 Ų140.967%0.6777%0.774SS**  trans-74.5145.8173.7-80.4152.2000110.9S766 E767L764-S766 PolarHBondContact O-N 2.97Å; L764-E767 PolarHBondContact O-N 3.32Å
765A31.9Very low33.5Very low107 Ų107134.4 Ų134.488%0.88477%0.767SS**G310 helixtrans-64.3-6.2-175.800000114.8E767A765-E767 VanDerWaalsContact C-N 3.33Å
766S38.2Very low33.3Very low108 Ų108137.7 Ų137.776%0.75577%0.774SS**G310 helixtrans-79-5.617651.50000114.9L764L764-S766 PolarHBondContact O-N 2.97Å
767E37.4Very low32.9Very low120 Ų120133 Ų13356%0.56177%0.766SS**G310 helixtrans-1021.8-170.8-64.4-165.3141.800116R763 L764 A765R763-E767 WeakPolarHBondContact CD-OE2 3.4Å; L764-E767 PolarHBondContact O-N 3.32Å; A765-E767 VanDerWaalsContact C-N 3.33Å
768Y40.8Very low32.4Very low154 Ų154131.9 Ų131.960%0.60477%0.767SS**  trans-106.596178.1-85.4-82.9000113.2R763R763-Y768 PolarHBondContact NH1-OH 3.06Å
769N32.4Very low31.9Very low153 Ų153130.8 Ų130.882%0.81877%0.767SS**  trans-74.5133.9171.2-174.422.5000111
770W29.9Very low31.3Very low231 Ų231132.7 Ų132.788%0.87577%0.766SS**  trans-123.292.4-179.4-74.999000111.5
771D23.8Very low31Very low143 Ų143128.5 Ų128.577%0.76575%0.75SS**  trans-139.3157.9156.8-151-30.6000110.3
772S24Very low30.3Very low94 Ų94130.7 Ų130.766%0.65774%0.742SS**  trans-50.5145.3-171.254.10000116.1
773S23.5Very low29.6Very low104 Ų104131 Ų13173%0.72774%0.739SS**  173.7153.171.644.10000114.4
774S26.1Very low28.7Very low114 Ų114132.3 Ų132.380%0.79775%0.749SS**  trans35.7111.1151.459.90000123.5
775G23.4Very low28Very low72 Ų72130.3 Ų130.374%0.74275%0.751SS**  107.5127.691.600000121.6
776K25.4Very low27.7Very low225 Ų225130.4 Ų130.498%0.97875%0.745SS**  trans73.5138.8166.2-54.6174.9179.9175.50117
777G24.6Very low27.1Very low69 Ų69131.5 Ų131.571%0.71175%0.747SS**  cis162.2167-9.900000114.2
778A25.8Very low26.7Very low97 Ų97130 Ų13080%0.80275%0.75SS**  trans69.3147.417300000115.7
779T27.2Very low26.1Very low127 Ų127129 Ų12978%0.77975%0.751SS**  cis-165.1177.1-6.76.90000107.6
780Q29.4Very low25.8Very low150 Ų150131.8 Ų131.870%0.70175%0.75SS**  cis-158.214811.3-137-167.6-77.200110.1
781N27.1Very low25.7Very low116 Ų116127.5 Ų127.562%0.6274%0.744SS**  trans59.7152.4142-74.729.2000122.1
782D27.6Very low25.8Very low130 Ų130126.6 Ų126.670%0.69574%0.744SS**  cis-158.2-178.77.2-135.8-36.9000115.5
783L22.3Very low26Very low137 Ų137127 Ų12772%0.71775%0.753SS**  trans99.2108.6153.2-72.9150.5000120.7
784F23.5Very low26.2Very low200 Ų200126.5 Ų126.588%0.87776%0.755SS**  trans71.1145.9160.1-79.8-83.4000120.2
785A24.6Very low26.3Very low86 Ų86125 Ų12571%0.71175%0.75SS**  trans-160.5176.8-160.600000113.8
786S24Very low26.5Very low108 Ų108127.5 Ų127.576%0.75575%0.751SS**  trans101.8148.1147.882.20000119.6
787V26.1Very low26.7Very low132 Ų132123.5 Ų123.580%0.875%0.745SS**  trans67.3127.2167.2-178.10000114.7
788S28.5Very low26.7Very low87 Ų87123.7 Ų123.761%0.60875%0.747SS**  cis-170.5168.6-4.9-95.60000107.4
789Q29.3Very low26.9Very low135 Ų135128.8 Ų128.863%0.63176%0.755SS**  cis-172.6171.6-17.2-101.5178.794.500105.3
790R26.2Very low26.8Very low210 Ų210126 Ų12679%0.79275%0.751SS**  cis-156169.64.9-136170.5-176.5151.85.3110.7
791N27Very low26.6Very low141 Ų141131.6 Ų131.675%0.75477%0.766SS**  trans-46.3152.7172.1-65.313.2000115.3
792T26.8Very low26.6Very low125 Ų125130.6 Ų130.677%0.76777%0.768SS**  cis84.2152.330.1740000117.4
793A27.9Very low26.7Very low102 Ų102129 Ų12984%0.84377%0.767SS**  trans81.5160.1175.900000118.6
794A27.8Very low27Very low94 Ų94130 Ų13078%0.77777%0.768SS**  cis-174159.5-38.800000111.7
795A28.2Very low27.2Very low83 Ų83126.6 Ų126.669%0.68676%0.764SS**  trans66.7106.1147.200000123.4
796T27.9Very low27.4Very low124 Ų124128.4 Ų128.476%0.76177%0.766SS**  66.9149.1125.661.10000124.9
797T28.3Very low27.5Very low141 Ų141127 Ų12787%0.86577%0.769SS**  trans82.1143.6159.370.20000120.5
798G25.9Very low27.5Very low73 Ų73126.9 Ų126.975%0.75376%0.764SS**  trans118.3100.5138.400000117.9
799E28.7Very low27.4Very low204 Ų204133.4 Ų133.495%0.95378%0.775SS**  trans-11133.6154.8-57.9176.5136.500118.1
800G25.1Very low27.4Very low69 Ų69130.3 Ų130.371%0.71178%0.78SS**  trans-100.6-169.5-179.600000114.8
801W26.1Very low27.4Very low266 Ų266126 Ų126100%1.00878%0.777SS**  trans-156.7172.6161.1-109.122000112.3
802S27.5Very low27.5Very low96 Ų96128.3 Ų128.367%0.67178%0.783SS**  trans-93.2170.3-157.250.70000117.6
803S28.8Very low27.5Very low95 Ų95127 Ų12766%0.66478%0.779SS**  trans73.5149.6149.6-77.20000118.5
804E28.9Very low27.8Very low160 Ų160133.1 Ų133.175%0.74878%0.781SS**  cis-166.6-161.9-14.8-127.9167.9126.700110.8
805T27.1Very low27.8Very low127 Ų127136.2 Ų136.278%0.77978%0.779SS**  trans82.6154.3167.571.50000118.3
806T28.3Very low27.8Very low125 Ų125136.9 Ų136.977%0.76778%0.778SS**  -177.7113.9-70.635.60000110.2
807G27.7Very low27.9Very low79 Ų79137.8 Ų137.881%0.81478%0.784SS**  trans73.3168.5160.800000118.3
808D25.5Very low28.1Very low128 Ų128140.4 Ų140.468%0.68479%0.786SS**  cis-166.6165.4-18.1-156.3-3.3000111.2
809W27.5Very low28.4Very low225 Ų225140.9 Ų140.985%0.85279%0.791SS**  trans65.1132169.2-57.7100.2000120.9
810G27.3Very low28.7Very low70 Ų70134.8 Ų134.872%0.72278%0.782SS**  trans178.222.9176.500000120.4
811T27.2Very low29.6Very low119 Ų119140.8 Ų140.873%0.7379%0.792SS**  trans25.4115.4163.953.20000122.6
812E30Very low30.6Very low189 Ų189136.1 Ų136.188%0.88379%0.787SS**  trans58.7124.5131-58.6-174.7177.300123.2
813S26.7Very low32.2Very low99 Ų99136 Ų13669%0.69278%0.778SS**  trans177.188.3131.1170.20000113.9
814W32.9Very low34.1Very low230 Ų230134.1 Ų134.187%0.87177%0.765SS**  trans59.4147.2158.2-52.989.6000118.2
815E28.1Very low35.9Very low158 Ų158135.7 Ų135.774%0.73877%0.769SS**  cis-154.8169.36.4-159.2163.8-130.300111.9
816S28.3Very low37.5Very low97 Ų97132.9 Ų132.968%0.67876%0.759SS**  trans82.1105.1156.7-710000122.6
817V30.7Very low39.5Very low144 Ų144132 Ų13287%0.87375%0.746SS**  trans78.3130140.5-173.70000119.6
818E32.6Very low41.4Very low196 Ų196132.5 Ų132.592%0.91673%0.73SS**  trans-85145.4-172.1-56.8171.7120.200114.4
819G31.8Very low43.6Very low82 Ų82130.1 Ų130.185%0.84572%0.723SS**  trans-107.9125.5170.200000112
820G34.2Very low46Very low76 Ų76126.5 Ų126.578%0.78471%0.713SS**  trans-89.4178.8-170.800000116.8
821Q44.7Very low48.7Very low196 Ų196129 Ų12992%0.91670%0.704SS**  trans-66.7145.2179.1-66.6171.3-24.500113L823Q821-L823 PolarHBondContact O-N 2.73Å
822N45.7Very low51.4Low168 Ų168130.8 Ų130.890%0.89870%0.702SS**  trans-70.2118.9-177-74-44.9000113.1
823L61.3Low53.9Low94 Ų94131.9 Ų131.949%0.49270%0.698SS.*  trans-117.9151.5160.1-74.9171.5000108.4Q821 L828Q821-L823 PolarHBondContact O-N 2.73Å; L823-L828 HydrophobicContact CB-CD1 4.2Å; L823-L828 HydrophobicContact CB-CD2 4.06Å; L823-L828 HydrophobicContact CB-CG 3.81Å; L823-L828 HydrophobicContact CD1-CD2 3.94Å
824S70.1Confident56.5Low54 Ų54132 Ų13238%0.37869%0.688SS.*  trans-66.7149.9-179.977.20000111.6A826 E827 L828S824-A826 PolarHBondContact O-N 3.09Å; S824-A826 VanDerWaalsContact O-N 3.13Å; S824-E827 WeakPolarHBondContact CB-OE2 3.31Å; S824-E827 PolarHBondContact N-OE2 2.73Å; S824-E827 VanDerWaalsContact N-OE2 3.11Å; S824-E827 PolarHBondContact O-N 3.31Å; S824-E827 VanDerWaalsContact O-N 3.07Å; S824-E827 VanDerWaalsContact OG-CD 3.26Å; S824-E827 VanDerWaalsContact OG-CG 3.27Å; S824-E827 WeakPolarHBondContact OG-CG 3.4Å; S824-E827 PolarHBondContact OG-N 3.09Å; S824-E827 PolarHBondContact OG-OE2 3.14Å; S824-L828 PolarHBondContact O-N 3.28Å
825K65.3Low58.9Low193 Ų193126.7 Ų126.784%0.83967%0.672SS**Hα-helixtrans-57.9-29.2179.7-167172.2176.8176.80112.4S829K825-S829 PolarHBondContact O-N 3.4Å
826A62.4Low61.5Low68 Ų68127.7 Ų127.756%0.56267%0.669SS**Hα-helixtrans-70.2-49.7174.200000111.8S824 L828 S829 K830S824-A826 PolarHBondContact O-N 3.09Å; S824-A826 VanDerWaalsContact O-N 3.13Å; A826-L828 PolarHBondContact O-N 3.19Å; A826-S829 PolarHBondContact O-N 3Å; A826-S829 VanDerWaalsContact O-N 3.15Å; A826-S829 PolarHBondContact O-OG 3.17Å; A826-K830 PolarHBondContact O-N 3.07Å
827E69.6Low64.3Low107 Ų107131.3 Ų131.350%0.567%0.668SS.*Hα-helixtrans-64.5-40.9-179.3-69.2163.1124.600112.5S824 S829 K830 K831S824-E827 WeakPolarHBondContact CB-OE2 3.31Å; S824-E827 PolarHBondContact N-OE2 2.73Å; S824-E827 VanDerWaalsContact N-OE2 3.11Å; S824-E827 PolarHBondContact O-N 3.31Å; S824-E827 VanDerWaalsContact O-N 3.07Å; S824-E827 VanDerWaalsContact OG-CD 3.26Å; S824-E827 VanDerWaalsContact OG-CG 3.27Å; S824-E827 WeakPolarHBondContact OG-CG 3.4Å; S824-E827 PolarHBondContact OG-N 3.09Å; S824-E827 PolarHBondContact OG-OE2 3.14Å; E827-S829 VanDerWaalsContact C-N 3.29Å; E827-S829 PolarHBondContact O-N 2.67Å; E827-K830 PolarHBondContact O-N 2.86Å; E827-K831 WeakPolarHBondContact O-CB 3.26Å; E827-K831 PolarHBondContact O-N 3.1Å
828L67.6Low66.9Low90 Ų90130.9 Ų130.947%0.47165%0.654SS.*Hα-helixtrans-59.4-40.2173-75.1169000111.8L823 S824 A826 K832L823-L828 HydrophobicContact CB-CD1 4.2Å; L823-L828 HydrophobicContact CB-CD2 4.06Å; L823-L828 HydrophobicContact CB-CG 3.81Å; L823-L828 HydrophobicContact CD1-CD2 3.94Å; S824-L828 PolarHBondContact O-N 3.28Å; A826-L828 PolarHBondContact O-N 3.19Å; L828-K832 VanDerWaalsContact O-CB 3.26Å; L828-K832 WeakPolarHBondContact O-CB 3.24Å; L828-K832 PolarHBondContact O-N 3.11Å
829S70.8Confident69.4Low77 Ų77126.2 Ų126.254%0.53863%0.633SS.*Hα-helixtrans-68.3-39.8176.479.70000112.3K825 A826 E827 R833K825-S829 PolarHBondContact O-N 3.4Å; A826-S829 PolarHBondContact O-N 3Å; A826-S829 VanDerWaalsContact O-N 3.15Å; A826-S829 PolarHBondContact O-OG 3.17Å; E827-S829 VanDerWaalsContact C-N 3.29Å; E827-S829 PolarHBondContact O-N 2.67Å; S829-R833 WeakPolarHBondContact O-CB 3.47Å; S829-R833 PolarHBondContact O-N 2.87Å
830K79.3Confident71.6Confident149 Ų149127.5 Ų127.565%0.64862%0.62SS**Hα-helixtrans-64.7-49.8176.9-171.3177179.2-178.10111.3A826 E827 K832 R833 E834A826-K830 PolarHBondContact O-N 3.07Å; E827-K830 PolarHBondContact O-N 2.86Å; K830-K832 PolarHBondContact O-N 2.74Å; K830-R833 PolarHBondContact O-N 2.97Å; K830-E834 PolarHBondContact O-N 2.93Å
831K82.4Confident73.8Confident122 Ų122129.4 Ų129.453%0.5361%0.608SS.*Hα-helixtrans-57-50.3177.1-172.4178.4178.8-176.20111E827 R833 E834 E835E827-K831 WeakPolarHBondContact O-CB 3.26Å; E827-K831 PolarHBondContact O-N 3.1Å; K831-R833 VanDerWaalsContact C-N 3.28Å; K831-R833 PolarHBondContact O-N 3.44Å; K831-E834 PolarHBondContact O-N 3.1Å; K831-E835 VanDerWaalsContact O-CB 3.25Å; K831-E835 WeakPolarHBondContact O-CB 3.44Å; K831-E835 PolarHBondContact O-N 3.1Å
832K85.1Confident75.6Confident158 Ų158122.9 Ų122.969%0.68759%0.588SS**Hα-helixtrans-61.7-31.8178.5-169.2169.2-174.5171.40113.3L828 K830 R836L828-K832 VanDerWaalsContact O-CB 3.26Å; L828-K832 WeakPolarHBondContact O-CB 3.24Å; L828-K832 PolarHBondContact O-N 3.11Å; K830-K832 PolarHBondContact O-N 2.74Å; K832-R836 WeakPolarHBondContact O-CB 3.28Å; K832-R836 PolarHBondContact O-N 2.94Å
833R81.8Confident77.3Confident212 Ų212120.1 Ų120.180%0.857%0.568SS**Hα-helixtrans-75.3-35.6176.5-162.3173.7-170.7170.92112.4S829 K830 K831 R837S829-R833 WeakPolarHBondContact O-CB 3.47Å; S829-R833 PolarHBondContact O-N 2.87Å; K830-R833 PolarHBondContact O-N 2.97Å; K831-R833 VanDerWaalsContact C-N 3.28Å; K831-R833 PolarHBondContact O-N 3.44Å; R833-R837 PolarHBondContact O-N 2.83Å
834E81.3Confident78Confident102 Ų102125.4 Ų125.448%0.47758%0.581SS.*Hα-helixtrans-74.9-39.6176.4-167.8-179.7154.100112.4K830 K831 R837 K838K830-E834 PolarHBondContact O-N 2.93Å; K831-E834 PolarHBondContact O-N 3.1Å; E834-R837 WeakPolarHBondContact O-CB 3.48Å; E834-R837 PolarHBondContact O-N 2.96Å; E834-K838 PolarHBondContact O-N 3.26Å; E834-K838 IonicContact OE1-NZ 2.65Å
835E84Confident78.2Confident118 Ų118125.8 Ų125.855%0.55159%0.588SS**Hα-helixtrans-63.2-46.8177-164.2159.4-117.900111.3K831 R837 K838 E839K831-E835 VanDerWaalsContact O-CB 3.25Å; K831-E835 WeakPolarHBondContact O-CB 3.44Å; K831-E835 PolarHBondContact O-N 3.1Å; E835-R837 VanDerWaalsContact C-N 3.26Å; E835-R837 PolarHBondContact O-N 2.78Å; E835-K838 PolarHBondContact O-N 2.98Å; E835-E839 PolarHBondContact O-N 2.97Å
836R83.1Confident78.6Confident179 Ų179123 Ų12368%0.67558%0.578SS**Hα-helixtrans-62.1-30.2173.5-165.7-178.2-171.4-149.92.6113.2K832 L840K832-R836 WeakPolarHBondContact O-CB 3.28Å; K832-R836 PolarHBondContact O-N 2.94Å; R836-L840 PolarHBondContact O-N 3.2Å
837R85.8Confident79.1Confident172 Ų172130.3 Ų130.365%0.64959%0.591SS**Hα-helixtrans-68-48.3173.4174.5-177.9164.2179.3-3.1110.8R833 E834 E835 E839 L840 E841R833-R837 PolarHBondContact O-N 2.83Å; E834-R837 WeakPolarHBondContact O-CB 3.48Å; E834-R837 PolarHBondContact O-N 2.96Å; E835-R837 VanDerWaalsContact C-N 3.26Å; E835-R837 PolarHBondContact O-N 2.78Å; R837-E839 VanDerWaalsContact C-N 3.31Å; R837-E839 PolarHBondContact O-N 3.02Å; R837-L840 PolarHBondContact O-N 2.94Å; R837-E841 IonicContact NE-OE2 3.27Å; R837-E841 WeakPolarHBondContact O-CB 3.27Å; R837-E841 PolarHBondContact O-N 2.86Å; R837-E841 VanDerWaalsContact O-N 3.08Å
838K85.8Confident79.1Confident135 Ų135134.1 Ų134.159%0.58761%0.606SS**Hα-helixtrans-60.3-39.2177.6-77.3177.8176.3164.40112.2E834 E835 E841 A842E834-K838 PolarHBondContact O-N 3.26Å; E834-K838 IonicContact OE1-NZ 2.65Å; E835-K838 PolarHBondContact O-N 2.98Å; K838-E841 PolarHBondContact O-N 2.92Å; K838-A842 WeakPolarHBondContact O-CB 3.5Å; K838-A842 PolarHBondContact O-N 2.73Å
839E85.1Confident79Confident99 Ų99134 Ų13446%0.46362%0.617SS.*Hα-helixtrans-61.8-44.9177.2-162.8-153145.700112.7E835 R837 A842 K843E835-E839 PolarHBondContact O-N 2.97Å; R837-E839 VanDerWaalsContact C-N 3.31Å; R837-E839 PolarHBondContact O-N 3.02Å; E839-A842 PolarHBondContact O-N 3.14Å; E839-K843 PolarHBondContact O-N 3.31Å; E839-K843 WeakPolarHBondContact OE1-CE 3.44Å; E839-K843 IonicContact OE1-NZ 3.7Å; E839-K843 PolarHBondContact OE1-NZ 3.26Å
840L77.7Confident78.6Confident109 Ų109133.9 Ų133.957%0.57162%0.622SS**Hα-helixtrans-65.9-36.6176.8-86.1165.3000112.8R836 R837 R844R836-L840 PolarHBondContact O-N 3.2Å; R837-L840 PolarHBondContact O-N 2.94Å; L840-R844 PolarHBondContact O-N 3.36Å; L840-R844 VanDerWaalsContact O-N 3.14Å
841E81.6Confident77.4Confident115 Ų115136.1 Ų136.154%0.53763%0.631SS.*Hα-helixtrans-70.5-42.3178.2-164.3156.6-166.500111.1R837 K838 R844 A845R837-E841 IonicContact NE-OE2 3.27Å; R837-E841 WeakPolarHBondContact O-CB 3.27Å; R837-E841 PolarHBondContact O-N 2.86Å; R837-E841 VanDerWaalsContact O-N 3.08Å; K838-E841 PolarHBondContact O-N 2.92Å; E841-R844 PolarHBondContact O-N 2.97Å; E841-A845 PolarHBondContact O-N 3.39Å
842A81.8Confident75.8Confident60 Ų60133.6 Ų133.650%0.49664%0.64SS.*Hα-helixtrans-60.3-47.9172.400000112.4K838 E839 R844 A845 E846K838-A842 WeakPolarHBondContact O-CB 3.5Å; K838-A842 PolarHBondContact O-N 2.73Å; E839-A842 PolarHBondContact O-N 3.14Å; A842-R844 PolarHBondContact O-N 2.87Å; A842-A845 WeakPolarHBondContact O-CB 3.36Å; A842-A845 PolarHBondContact O-N 3.22Å; A842-E846 WeakPolarHBondContact O-CB 3.35Å; A842-E846 PolarHBondContact O-N 3.35Å
843K80.7Confident74.1Confident109 Ų109131.8 Ų131.847%0.47465%0.645SS.*Hα-helixtrans-63.1-27.4177-77.8174.4172.7171.60113.3E839 R847E839-K843 PolarHBondContact O-N 3.31Å; E839-K843 WeakPolarHBondContact OE1-CE 3.44Å; E839-K843 IonicContact OE1-NZ 3.7Å; E839-K843 PolarHBondContact OE1-NZ 3.26Å; K843-R847 PolarHBondContact O-N 3.28Å
844R76.1Confident72Confident205 Ų205130.6 Ų130.677%0.77465%0.653SS**Hα-helixtrans-73.3-38170.3-93.7-178.1166.1174.1-3.5112.8L840 E841 A842 K848L840-R844 PolarHBondContact O-N 3.36Å; L840-R844 VanDerWaalsContact O-N 3.14Å; E841-R844 PolarHBondContact O-N 2.97Å; A842-R844 PolarHBondContact O-N 2.87Å; R844-K848 PolarHBondContact O-N 3.09Å
845A74.1Confident70.4Confident62 Ų62135 Ų13551%0.51267%0.671SS.*Hα-helixtrans-67.4-46.1175.200000111.8E841 A842 R847 K848 A849E841-A845 PolarHBondContact O-N 3.39Å; A842-A845 WeakPolarHBondContact O-CB 3.36Å; A842-A845 PolarHBondContact O-N 3.22Å; A845-R847 PolarHBondContact O-N 2.97Å; A845-K848 WeakPolarHBondContact O-CB 3.3Å; A845-K848 PolarHBondContact O-N 2.74Å; A845-A849 PolarHBondContact O-N 3.13Å
846E75Confident68.3Low135 Ų135138.1 Ų138.163%0.63169%0.69SS**Hα-helixtrans-59.2-46178.5-173.4175.9-139.600112.1A842 K848 A849 A850A842-E846 WeakPolarHBondContact O-CB 3.35Å; A842-E846 PolarHBondContact O-N 3.35Å; E846-K848 VanDerWaalsContact C-N 3.25Å; E846-K848 PolarHBondContact O-N 2.98Å; E846-A849 PolarHBondContact O-N 3.49Å; E846-A849 VanDerWaalsContact O-N 3.12Å; E846-A850 WeakPolarHBondContact O-CB 3.4Å; E846-A850 PolarHBondContact O-N 3.23Å
847R71.8Confident66.1Low221 Ų221132.8 Ų132.883%0.83469%0.691SS**Hα-helixtrans-61.1-28.7173.9-83.8-172.8168.5-165-2.4114K843 A845K843-R847 PolarHBondContact O-N 3.28Å; A845-R847 PolarHBondContact O-N 2.97Å
848K70.4Confident64Low187 Ų187129.7 Ų129.781%0.81370%0.702SS**Hα-helixtrans-77.9-33.2173.6-78.2-171.4173-172.30112.7R844 A845 E846R844-K848 PolarHBondContact O-N 3.09Å; A845-K848 WeakPolarHBondContact O-CB 3.3Å; A845-K848 PolarHBondContact O-N 2.74Å; E846-K848 VanDerWaalsContact C-N 3.25Å; E846-K848 PolarHBondContact O-N 2.98Å
849A66.6Low61.5Low87 Ų87134.6 Ų134.672%0.71972%0.717SS**Hα-helixtrans-71.5-32.4175.500000112.7A845 E846 K851A845-A849 PolarHBondContact O-N 3.13Å; E846-A849 PolarHBondContact O-N 3.49Å; E846-A849 VanDerWaalsContact O-N 3.12Å; A849-K851 VanDerWaalsContact C-N 3.35Å; A849-K851 PolarHBondContact O-N 3.47Å
850A61.6Low59.7Low76 Ų76138.9 Ų138.963%0.62873%0.734SS**THydrogen-bonded Turntrans-74.4-7.5-168.900000116.8E846E846-A850 WeakPolarHBondContact O-CB 3.4Å; E846-A850 PolarHBondContact O-N 3.23Å
851K54Low58.1Low195 Ų195140.5 Ų140.585%0.84874%0.742SS**SBendtrans-140.790.4-178-74.6-165.2175.2-1750115.2A849A849-K851 VanDerWaalsContact C-N 3.35Å; A849-K851 PolarHBondContact O-N 3.47Å
852G47.9Very low56.4Low70 Ų70145.3 Ų145.372%0.72277%0.772SS**  trans-147.4-169.6145.500000108.3
853P49.2Very low55.1Low120 Ų120149.6 Ų149.678%0.77979%0.785SS**  cis-121.8173.7-15.539.9-27.3000112.1
854L38Very low53.8Low186 Ų186151.7 Ų151.797%0.97480%0.802SS**  trans-124.5144.5161.6-83.9169.6000110.2
855K49.3Very low52.5Low195 Ų195148.7 Ų148.785%0.84880%0.803SS**  trans-150.199.7-160.2-175.9-173.7-177.9-177.60112.5
856L39.6Very low51.2Low184 Ų184153.8 Ų153.896%0.96382%0.821SS**  trans-164.1148.7168.3-96162.6000106
857G35.8Very low49.8Very low67 Ų67155 Ų15569%0.69183%0.832SS**  cis-159.2165.3-6.800000108.8
858A42.2Very low48.3Very low106 Ų106150.6 Ų150.688%0.87683%0.832SS**  trans-86.3152.5-167.900000114.5
859R32.5Very low46.7Very low238 Ų238148 Ų14890%0.89883%0.834SS**  trans-146131.8141.7-140.2171.3-172165.62.1111.6
860K48.3Very low45.2Very low189 Ų189152.7 Ų152.782%0.82284%0.842SS**  trans-113.8143.2167.1-144-164.2-173.8-158.40106.1
861L44Very low43.8Very low143 Ų143159.1 Ų159.175%0.74986%0.86SS**  trans-164113.2153.5-109.5162000107.7
862D45Very low42.9Very low216 Ų216155.8 Ų155.8100%1.15586%0.861SS**  trans18.50157.4-46.6-18.2000119.4

Retrieved 862 of 862 residues in 461.8 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).