A0A087Y8J1_POEFO Loading...

Zinc finger protein 704

AlphaFold DB , UniProt , Accession A0A087Y8J1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 413 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M40.8Very low52.2Low236 Ų236166.6 Ų166.6100%1.16379%0.786SS**  0126.50-69.7-172.8171.500108.4T3M1-T3 PolarHBondContact O-N 2.89Å
2H37Very low55.3Low193 Ų193159.8 Ų159.889%0.89476%0.758SS**  trans-80.1101.6-178-71.5101.7000110.7R4H2-R4 VanDerWaalsContact C-N 3.34Å; H2-R4 PolarHBondContact O-N 3.29Å
3T43Very low57.8Low131 Ų131151.8 Ų151.880%0.80474%0.744SS**  trans-65.593.3168.249.20000109M1 R5M1-T3 PolarHBondContact O-N 2.89Å; T3-R5 PolarHBondContact O-N 3.5Å
4R46.8Very low60Low234 Ų234144.2 Ų144.288%0.88371%0.713SS**  trans-58.4112.7171.3-67.6-174.3177.5-145.8-0.8107.6H2 L6H2-R4 VanDerWaalsContact C-N 3.34Å; H2-R4 PolarHBondContact O-N 3.29Å; R4-L6 PolarHBondContact O-N 3.47Å
5R50.1Low62.1Low241 Ų241144.1 Ų144.191%0.90970%0.702SS**  trans-60.7108.5172.6-71.9-178.6176.5175.2-1.7107.3T3 V7T3-R5 PolarHBondContact O-N 3.5Å; R5-V7 PolarHBondContact O-N 3.21Å; R5-V7 VanDerWaalsContact O-N 3.15Å
6L43.2Very low63.9Low145 Ų145135.4 Ų135.476%0.75966%0.659SS**  trans-61.6116.1173.3-84.3159.9000107.7R4 K8R4-L6 PolarHBondContact O-N 3.47Å; L6-K8 PolarHBondContact O-N 3.19Å; L6-K8 VanDerWaalsContact O-N 3.1Å
7V40.1Very low65.5Low125 Ų125133.6 Ų133.676%0.75865%0.645SS**  trans-60.3116.7172.5177.70000107.1R5 R9R5-V7 PolarHBondContact O-N 3.21Å; R5-V7 VanDerWaalsContact O-N 3.15Å; V7-R9 PolarHBondContact O-N 3.13Å
8K51.5Low66.6Low210 Ų210126.4 Ų126.491%0.91361%0.611SS**  trans-7569.8178.9-161.2175.1-175.3-1780108.7L6L6-K8 PolarHBondContact O-N 3.19Å; L6-K8 VanDerWaalsContact O-N 3.1Å
9R62.7Low67.3Low159 Ų159123.7 Ų123.760%0.660%0.603SS**  trans-53136.9176.750.9-179.6152.3155.3-1.8109.6V7 I11 S73 H75V7-R9 PolarHBondContact O-N 3.13Å; R9-I11 PolarHBondContact O-N 3.44Å; R9-S73 PolarHBondContact NH2-OG 2.94Å; R9-H75 PolarHBondContact NH2-NE2 2.91Å
10S75.1Confident67.6Low82 Ų82118.4 Ų118.457%0.57358%0.579SS**  trans-56.2137.2175.1-173.20000109.7L12S10-L12 VanDerWaalsContact C-N 3.32Å; S10-L12 PolarHBondContact OG-N 3.43Å
11I83.8Confident67.5Low77 Ų77116.8 Ų116.840%0.39558%0.578SS.*  trans-83.5-12.6174.647.4165.1000112.1R9 S14 V35 Y52R9-I11 PolarHBondContact O-N 3.44Å; I11-S14 WeakPolarHBondContact O-CB 3.33Å; I11-S14 PolarHBondContact O-N 3.33Å; I11-S14 VanDerWaalsContact O-N 3.1Å; I11-S14 PolarHBondContact O-OG 3.28Å; I11-V35 HydrophobicContact CD1-CB 4.41Å; I11-V35 HydrophobicContact CD1-CG1 4.22Å; I11-V35 HydrophobicContact CD1-CG2 3.53Å; I11-V35 HydrophobicContact CG1-CG2 4.02Å; I11-Y52 HydrophobicContact CD1-CD1 4.19Å; I11-Y52 HydrophobicContact CD1-CE1 3.5Å
12L89.6Confident68.7Low85 Ų85111.1 Ų111.145%0.44556%0.556SS.*THydrogen-bonded Turntrans-61.8140.6170.7-52.7-176.7000110S10 S14 V32 V35S10-L12 VanDerWaalsContact C-N 3.32Å; S10-L12 PolarHBondContact OG-N 3.43Å; L12-S14 PolarHBondContact O-N 3.17Å; L12-V32 HydrophobicContact CD2-CG1 3.98Å; L12-V35 HydrophobicContact CD2-CB 4.44Å; L12-V35 HydrophobicContact CD2-CG2 3.73Å
13G87.4Confident70Confident56 Ų56105.4 Ų105.458%0.57755%0.55SS*.THydrogen-bonded Turntrans74.8-2.1-17200000114.9V32G13-V32 PolarHBondContact N-O 2.97Å
14S89.8Confident71.3Confident45 Ų45104 Ų10432%0.31554%0.537SS..  trans-74.8138176.5-630000111.4I11 L12 V31 V32I11-S14 WeakPolarHBondContact O-CB 3.33Å; I11-S14 PolarHBondContact O-N 3.33Å; I11-S14 VanDerWaalsContact O-N 3.1Å; I11-S14 PolarHBondContact O-OG 3.28Å; L12-S14 PolarHBondContact O-N 3.17Å; S14-V31 WeakPolarHBondContact O-CA 3.3Å; S14-V32 PolarHBondContact O-N 3.39Å
15R90.9Very high72.4Confident143 Ų14396 Ų9654%0.5453%0.527SS..EExtended strand (participates in β ladder)trans-74.8132169-173.5175.9-64-81.1-3110.1G30 G72R15-G30 CarbonylContact C-O 3.4Å; R15-G30 WeakPolarHBondContact CA-O 3.36Å; R15-G72 PolarHBondContact O-N 2.7Å
16V91.4Very high73.7Confident4 Ų486.5 Ų86.52%0.02450%0.5CS..EExtended strand (participates in β ladder)trans-133.5159.2-178.4-59.80000111.1G30 V32 V54 I69 A71V16-G30 PolarHBondContact N-O 3.12Å; V16-G30 PolarHBondContact O-N 3.48Å; V16-V32 HydrophobicContact CB-CG2 4.47Å; V16-V32 HydrophobicContact CG1-CG2 3.57Å; V16-V32 HydrophobicContact CG2-CG2 4Å; V16-V54 HydrophobicContact CG2-CG1 3.76Å; V16-V54 HydrophobicContact CG2-CG2 3.96Å; V16-I69 HydrophobicContact CB-CG2 3.51Å; V16-I69 HydrophobicContact CG1-CG2 3.82Å; V16-I69 HydrophobicContact CG2-CG2 3.85Å; V16-A71 HydrophobicContact CG1-CB 4.38Å
17Y89.8Confident75.5Confident106 Ų10684 Ų8442%0.41649%0.493SS..EExtended strand (participates in β ladder)trans-112.8125.9171.8-58.1-93.8000107.5V28 T29 I69 A70Y17-V28 CarbonylContact C-O 3.6Å; Y17-V28 WeakPolarHBondContact CA-O 3.22Å; Y17-T29 HydrophobicContact CD1-CG2 3.75Å; Y17-T29 HydrophobicContact CE1-CG2 3.65Å; Y17-I69 CarbonylContact O-C 3.59Å; Y17-I69 WeakPolarHBondContact O-CA 3.49Å; Y17-A70 PolarHBondContact N-O 2.77Å; Y17-A70 PolarHBondContact O-N 3.39Å
18A85.4Confident77.7Confident3 Ų379.9 Ų79.93%0.02547%0.468CS..EExtended strand (participates in β ladder)trans-121.3148.9178.700000110.6S20 P27 V28 F64 E68 I69A18-S20 PolarHBondContact O-N 3.47Å; A18-P27 CarbonylContact O-C 3.57Å; A18-P27 WeakPolarHBondContact O-CA 3.4Å; A18-V28 PolarHBondContact N-O 2.89Å; A18-V28 PolarHBondContact O-N 3.19Å; A18-F64 HydrophobicContact CB-CD1 3.68Å; A18-F64 HydrophobicContact CB-CD2 4.06Å; A18-F64 HydrophobicContact CB-CE1 3.52Å; A18-F64 HydrophobicContact CB-CE2 3.92Å; A18-F64 HydrophobicContact CB-CG 3.93Å; A18-F64 HydrophobicContact CB-CZ 3.63Å; A18-E68 VanDerWaalsContact CA-O 3.3Å; A18-E68 WeakPolarHBondContact CA-O 3.47Å; A18-I69 HydrophobicContact CB-CG1 4.49Å
19T81.2Confident79.5Confident76 Ų7671.4 Ų71.447%0.46643%0.433SS..EExtended strand (participates in β ladder)trans-65.1129.6176.341.70000111.3E68T19-E68 PolarHBondContact N-O 3.42Å
20S72.9Confident81Confident17 Ų1763.9 Ų63.912%0.11941%0.406CS..  trans-59131175.4170.90000111.5A18 T22 D24 A26A18-S20 PolarHBondContact O-N 3.47Å; S20-T22 PolarHBondContact O-N 3.4Å; S20-T22 WeakPolarHBondContact OG-CB 3.39Å; S20-T22 PolarHBondContact OG-N 3.27Å; S20-T22 PolarHBondContact OG-OG1 3.31Å; S20-D24 WeakPolarHBondContact CB-OD1 3.28Å; S20-D24 PolarHBondContact OG-OD1 2.92Å; S20-A26 WeakPolarHBondContact CB-O 3.36Å; S20-A26 PolarHBondContact N-O 3.27Å; S20-A26 VanDerWaalsContact N-O 3.12Å
21P64.6Low81.9Confident85 Ų8561.9 Ų61.955%0.55239%0.39SS*.THydrogen-bonded Turntrans-70.5-11.617633.6-38.9000112.8G23 K62P21-G23 PolarHBondContact O-N 2.79Å; P21-K62 HydrophobicContact CG-CD 4.28Å
22T66.9Low82.4Confident117 Ų11758.3 Ų58.372%0.71837%0.372SS*.THydrogen-bonded Turntrans-77.1-7.4-175-44.90000112.3S20 D24S20-T22 PolarHBondContact O-N 3.4Å; S20-T22 WeakPolarHBondContact OG-CB 3.39Å; S20-T22 PolarHBondContact OG-N 3.27Å; S20-T22 PolarHBondContact OG-OG1 3.31Å; T22-D24 PolarHBondContact O-N 2.94Å
23G63.9Low82.6Confident73 Ų7359.2 Ų59.275%0.75337%0.374SS*.SBendtrans76.85.717800000114.6P21 G25P21-G23 PolarHBondContact O-N 2.79Å; G23-G25 PolarHBondContact O-N 2.97Å
24D71.1Confident82.8Confident102 Ų10258.5 Ų58.555%0.54536%0.363SS..SBendtrans-76-7.7174.663-36000113.3S20 T22 A26S20-D24 WeakPolarHBondContact CB-OD1 3.28Å; S20-D24 PolarHBondContact OG-OD1 2.92Å; T22-D24 PolarHBondContact O-N 2.94Å; D24-A26 PolarHBondContact O-N 3.26Å; D24-A26 VanDerWaalsContact O-N 3.13Å; D24-A26 WeakPolarHBondContact OD2-CB 3.28Å
25G69.3Low82.8Confident65 Ų6559 Ų5967%0.6736%0.363SS*.  trans71.21.2177.300000114.6G23G23-G25 PolarHBondContact O-N 2.97Å
26A77.1Confident82.8Confident41 Ų4158.9 Ų58.934%0.33937%0.367SS..PPolyproline II helixtrans-71.3134.7176.900000110.8S20 D24 V28S20-A26 WeakPolarHBondContact CB-O 3.36Å; S20-A26 PolarHBondContact N-O 3.27Å; S20-A26 VanDerWaalsContact N-O 3.12Å; D24-A26 PolarHBondContact O-N 3.26Å; D24-A26 VanDerWaalsContact O-N 3.13Å; D24-A26 WeakPolarHBondContact OD2-CB 3.28Å; A26-V28 PolarHBondContact O-N 3.18Å
27P81.2Confident82.5Confident93 Ų9363.9 Ų63.960%0.60439%0.39SS*.EExtended strand (participates in β ladder)trans-76.2119.1172.629.5-32.2000110.2A18A18-P27 CarbonylContact O-C 3.57Å; A18-P27 WeakPolarHBondContact O-CA 3.4Å
28V85.5Confident81.8Confident39 Ų3963.5 Ų63.524%0.23639%0.392CS..EExtended strand (participates in β ladder)trans-83.6137.4174.4-164.20000109.1Y17 A18 A26 L56Y17-V28 CarbonylContact C-O 3.6Å; Y17-V28 WeakPolarHBondContact CA-O 3.22Å; A18-V28 PolarHBondContact N-O 2.89Å; A18-V28 PolarHBondContact O-N 3.19Å; A26-V28 PolarHBondContact O-N 3.18Å; V28-L56 HydrophobicContact CB-CD2 4.35Å; V28-L56 HydrophobicContact CG1-CB 4.44Å; V28-L56 HydrophobicContact CG1-CD1 4.22Å; V28-L56 HydrophobicContact CG1-CD2 3.85Å; V28-L56 HydrophobicContact CG1-CG 4.4Å
29T90.9Very high80.7Confident31 Ų3168.7 Ų68.719%0.1942%0.419CS..EExtended strand (participates in β ladder)trans-96.5143.2177.389.40000111.6Y17 Q57Y17-T29 HydrophobicContact CD1-CG2 3.75Å; Y17-T29 HydrophobicContact CE1-CG2 3.65Å; T29-Q57 PolarHBondContact O-N 3.28Å; T29-Q57 PolarHBondContact OG1-OE1 2.89Å
30G92.6Very high79.9Confident2 Ų273.3 Ų73.32%0.02143%0.428CS..EExtended strand (participates in β ladder)trans-161.7-177.5177.300000113.7R15 V16 L55R15-G30 CarbonylContact C-O 3.4Å; R15-G30 WeakPolarHBondContact CA-O 3.36Å; V16-G30 PolarHBondContact N-O 3.12Å; V16-G30 PolarHBondContact O-N 3.48Å; G30-L55 CarbonylContact C-O 3.5Å; G30-L55 WeakPolarHBondContact CA-O 3.32Å
31V93.8Very high79.1Confident39 Ų3979 Ų7924%0.23646%0.457CS..EExtended strand (participates in β ladder)trans-122.3130.6-179.2-179.30000109.8S14 Q33 V54 L55S14-V31 WeakPolarHBondContact O-CA 3.3Å; V31-Q33 PolarHBondContact O-N 3.16Å; V31-V54 CarbonylContact O-C 3.59Å; V31-V54 WeakPolarHBondContact O-CA 3.48Å; V31-L55 PolarHBondContact N-O 3.42Å; V31-L55 PolarHBondContact O-N 3.08Å
32V94.3Very high78.7Confident2 Ų280.3 Ų80.31%0.01248%0.476CS..EExtended strand (participates in β ladder)trans-69.7116.5179.2-178.20000110.2L12 G13 S14 V16 V35 Y52 V54L12-V32 HydrophobicContact CD2-CG1 3.98Å; G13-V32 PolarHBondContact N-O 2.97Å; S14-V32 PolarHBondContact O-N 3.39Å; V16-V32 HydrophobicContact CB-CG2 4.47Å; V16-V32 HydrophobicContact CG1-CG2 3.57Å; V16-V32 HydrophobicContact CG2-CG2 4Å; V32-V35 HydrophobicContact CG1-CG2 3.69Å; V32-Y52 HydrophobicContact CG1-CD1 4.17Å; V32-Y52 HydrophobicContact CG2-CD1 4.36Å; V32-V54 HydrophobicContact CG2-CG2 4.44Å
33Q94.4Very high78.3Confident104 Ų10480.8 Ų80.849%0.48648%0.484SS..EExtended strand (participates in β ladder)trans-95.9-37.2178.8-68.1-70.782.600112.5V31 T53 L55 L61V31-Q33 PolarHBondContact O-N 3.16Å; Q33-T53 PolarHBondContact N-O 3.08Å; Q33-L55 HydrophobicContact CG-CB 3.72Å; Q33-L61 HydrophobicContact CB-CD2 4.44Å; Q33-L61 HydrophobicContact CG-CD2 3.98Å
34A92.2Very high78Confident42 Ų4279.1 Ų79.135%0.34746%0.462SS..EExtended strand (participates in β ladder)trans-146.8157.4178.800000110.9T53A34-T53 PolarHBondContact N-O 2.99Å; A34-T53 PolarHBondContact O-N 3.35Å
35V90.4Very high77.3Confident55 Ų5580 Ų8033%0.33348%0.484SS..EExtended strand (participates in β ladder)trans-135117.9176.2-179.40000107.8I11 L12 V32 V51 Y52I11-V35 HydrophobicContact CD1-CB 4.41Å; I11-V35 HydrophobicContact CD1-CG1 4.22Å; I11-V35 HydrophobicContact CD1-CG2 3.53Å; I11-V35 HydrophobicContact CG1-CG2 4.02Å; L12-V35 HydrophobicContact CD2-CB 4.44Å; L12-V35 HydrophobicContact CD2-CG2 3.73Å; V32-V35 HydrophobicContact CG1-CG2 3.69Å; V35-V51 CarbonylContact C-O 3.51Å; V35-V51 WeakPolarHBondContact CA-O 3.32Å; V35-Y52 HydrophobicContact CG2-CD1 3.85Å; V35-Y52 HydrophobicContact CG2-CE1 4.26Å; V35-Y52 HydrophobicContact CG2-CG 4.46Å
36K89.8Confident76.8Confident141 Ų14179 Ų7961%0.61347%0.474SS*.EExtended strand (participates in β ladder)trans-104.6105.4177.7-178.6-178.5177.2-1740107.9V51K36-V51 HydrophobicContact CB-CB 4.49Å; K36-V51 PolarHBondContact N-O 3.36Å; K36-V51 PolarHBondContact O-N 3.35Å
37Q85.5Confident76Confident109 Ų10983 Ų8351%0.50950%0.496SS..EExtended strand (participates in β ladder)trans-82.1116.7174-170.1170.816.800109.5N39Q37-N39 PolarHBondContact O-N 3.14Å; Q37-N39 VanDerWaalsContact O-N 3.13Å
38E75.9Confident75.5Confident97 Ų9785.2 Ų85.245%0.45349%0.492SS..EExtended strand (participates in β ladder)trans-76.698.5172.8-168.6-170174.700108.8R40 R49E38-R40 PolarHBondContact O-N 2.66Å; E38-R49 HydrophobicContact CB-CB 4.37Å; E38-R49 WeakPolarHBondContact CB-O 3.43Å; E38-R49 PolarHBondContact N-O 3.24Å
39N60.5Low75.2Confident113 Ų11391.1 Ų91.160%0.60451%0.51SS*.  trans-8587.8173.3-165.125000109.9Q37 R48Q37-N39 PolarHBondContact O-N 3.14Å; Q37-N39 VanDerWaalsContact O-N 3.13Å; N39-R48 VanDerWaalsContact CG-NH2 3.29Å; N39-R48 PolarHBondContact OD1-NH2 3.13Å
40R64.5Low75Confident172 Ų17290.4 Ų90.465%0.64951%0.507SS*.  trans-69.9139.5171.8-165.1176.7-177.2-152-1.6110E38 A44E38-R40 PolarHBondContact O-N 2.66Å; R40-A44 HydrophobicContact CG-CB 4.46Å
41D56.1Low74.9Confident137 Ų13792.2 Ų92.273%0.73352%0.517SS*.  trans-51140.8-176.1-60.4-76.2000113.2S43 A44D41-S43 PolarHBondContact O-N 3.43Å; D41-A44 PolarHBondContact O-N 3.03Å; D41-A44 VanDerWaalsContact O-N 3.16Å
42A57Low74.8Confident113 Ų11391.9 Ų91.993%0.93451%0.512SS*.THydrogen-bonded Turntrans-63.54.6-166.700000116.4
43S59.2Low74.9Confident127 Ų12793.2 Ų93.289%0.88852%0.52SS*.THydrogen-bonded Turntrans-91.3-6.8173.6-68.20000114.3D41D41-S43 PolarHBondContact O-N 3.43Å
44A56.4Low74.8Confident37 Ų3788.3 Ų88.331%0.30650%0.497SS..  trans-104.2109.6176.500000111.4R40 D41 G46R40-A44 HydrophobicContact CG-CB 4.46Å; D41-A44 PolarHBondContact O-N 3.03Å; D41-A44 VanDerWaalsContact O-N 3.16Å; A44-G46 PolarHBondContact O-N 3.33Å
45A56.5Low74.9Confident122 Ų12289.1 Ų89.1100%1.00850%0.496SS*.  trans-73.159.4177.300000112.9
46G59.1Low75.1Confident43 Ų4387.1 Ų87.144%0.44348%0.483SS..SBendtrans-117.4159.3176.900000112.5A44 R48A44-G46 PolarHBondContact O-N 3.33Å; G46-R48 PolarHBondContact O-N 3Å
47P60.6Low75.1Confident125 Ų12588 Ų8881%0.81249%0.489SS*.PPolyproline II helixtrans-57.7137.5171.8-21.633.1000111.2R49P47-R49 PolarHBondContact O-N 3.2Å
48R69.4Low75.1Confident139 Ų13988.7 Ų88.753%0.52550%0.496SS..PPolyproline II helixtrans-66.2128.8170.8-56.5-177.298.5176.57.1107.7N39 G46N39-R48 VanDerWaalsContact CG-NH2 3.29Å; N39-R48 PolarHBondContact OD1-NH2 3.13Å; G46-R48 PolarHBondContact O-N 3Å
49R80.3Confident75.7Confident163 Ų16386.7 Ų86.762%0.61550%0.502SS*.EExtended strand (participates in β ladder)trans-93.8129.2178.9-73.6178.8170.6159.3-4.5110.3E38 P47E38-R49 HydrophobicContact CB-CB 4.37Å; E38-R49 WeakPolarHBondContact CB-O 3.43Å; E38-R49 PolarHBondContact N-O 3.24Å; P47-R49 PolarHBondContact O-N 3.2Å
50S87.1Confident77.2Confident17 Ų1783.5 Ų83.512%0.11949%0.489CS..EExtended strand (participates in β ladder)trans-107.7124.5175.4-48.20000108.2E66S50-E66 VanDerWaalsContact CB-OE2 3.26Å; S50-E66 WeakPolarHBondContact CB-OE2 3.47Å; S50-E66 PolarHBondContact O-N 3.42Å; S50-E66 VanDerWaalsContact O-N 3.17Å; S50-E66 PolarHBondContact OG-OE2 3.44Å
51V91Very high78.5Confident39 Ų3980.6 Ų80.624%0.23649%0.486CS..EExtended strand (participates in β ladder)trans-107.9131.6173.5-178.90000108.4V35 K36 E63V35-V51 CarbonylContact C-O 3.51Å; V35-V51 WeakPolarHBondContact CA-O 3.32Å; K36-V51 HydrophobicContact CB-CB 4.49Å; K36-V51 PolarHBondContact N-O 3.36Å; K36-V51 PolarHBondContact O-N 3.35Å; V51-E63 HydrophobicContact CG1-CB 3.91Å; V51-E63 HydrophobicContact CG1-CG 4.32Å
52Y91.9Very high80.1Confident32 Ų3277.5 Ų77.513%0.12547%0.466CS..EExtended strand (participates in β ladder)trans-115.2126.5-175.1-57.6-119.1000108.6I11 V32 V35 E63 F64 E66 I69I11-Y52 HydrophobicContact CD1-CD1 4.19Å; I11-Y52 HydrophobicContact CD1-CE1 3.5Å; V32-Y52 HydrophobicContact CG1-CD1 4.17Å; V32-Y52 HydrophobicContact CG2-CD1 4.36Å; V35-Y52 HydrophobicContact CG2-CD1 3.85Å; V35-Y52 HydrophobicContact CG2-CE1 4.26Å; V35-Y52 HydrophobicContact CG2-CG 4.46Å; Y52-E63 WeakPolarHBondContact O-CA 3.29Å; Y52-F64 PolarHBondContact N-O 3.1Å; Y52-F64 PolarHBondContact O-N 3.19Å; Y52-E66 HydrophobicContact CE2-CB 3.91Å; Y52-E66 HydrophobicContact CE2-CG 4.16Å; Y52-I69 HydrophobicContact CD1-CD1 4.01Å; Y52-I69 HydrophobicContact CD2-CD1 3.4Å; Y52-I69 VanDerWaalsContact CD2-CD1 3.4Å; Y52-I69 HydrophobicContact CE2-CD1 4.17Å; Y52-I69 HydrophobicContact CG-CD1 3.35Å
53T94.3Very high81.8Confident31 Ų3177.6 Ų77.619%0.1945%0.447CS..EExtended strand (participates in β ladder)trans-87.8113.6169.4-43.70000108Q33 A34 L61Q33-T53 PolarHBondContact N-O 3.08Å; A34-T53 PolarHBondContact N-O 2.99Å; A34-T53 PolarHBondContact O-N 3.35Å; T53-L61 HydrophobicContact CG2-CB 4.41Å; T53-L61 HydrophobicContact CG2-CD2 4.3Å
54V94Very high83.3Confident0 Ų071.8 Ų71.80%041%0.405CS..EExtended strand (participates in β ladder)trans-110.8129.5-176.4-176.40000109.4V16 V31 V32 L56 L61 K62 F64V16-V54 HydrophobicContact CG2-CG1 3.76Å; V16-V54 HydrophobicContact CG2-CG2 3.96Å; V31-V54 CarbonylContact O-C 3.59Å; V31-V54 WeakPolarHBondContact O-CA 3.48Å; V32-V54 HydrophobicContact CG2-CG2 4.44Å; V54-L56 HydrophobicContact CG1-CD2 4.01Å; V54-L56 PolarHBondContact O-N 2.92Å; V54-L61 WeakPolarHBondContact O-CA 3.46Å; V54-K62 PolarHBondContact N-O 3.28Å; V54-K62 PolarHBondContact O-N 2.88Å; V54-F64 HydrophobicContact CB-CD2 3.94Å; V54-F64 HydrophobicContact CB-CE2 4.04Å; V54-F64 HydrophobicContact CG2-CD2 3.83Å; V54-F64 HydrophobicContact CG2-CE2 4.39Å
55L94.5Very high84.8Confident60 Ų6071.1 Ų71.131%0.31440%0.399SS..EExtended strand (participates in β ladder)trans-81.7109.7166.7-179.963.5000108.6G30 V31 Q33 G59 L61G30-L55 CarbonylContact C-O 3.5Å; G30-L55 WeakPolarHBondContact CA-O 3.32Å; V31-L55 PolarHBondContact N-O 3.42Å; V31-L55 PolarHBondContact O-N 3.08Å; Q33-L55 HydrophobicContact CG-CB 3.72Å; L55-G59 WeakPolarHBondContact CD1-O 3.41Å; L55-L61 HydrophobicContact CB-CD2 3.8Å; L55-L61 HydrophobicContact CD1-CD2 3.9Å; L55-L61 HydrophobicContact CD1-CG 4.18Å; L55-L61 HydrophobicContact CG-CD2 4.44Å
56L92.8Very high86.1Confident12 Ų1270.1 Ų70.16%0.06337%0.373CS..EExtended strand (participates in β ladder)trans-77.9162.5179.2-61.6-177.9000111.1V28 V54 D58 G59 S60 K62 F64V28-L56 HydrophobicContact CB-CD2 4.35Å; V28-L56 HydrophobicContact CG1-CB 4.44Å; V28-L56 HydrophobicContact CG1-CD1 4.22Å; V28-L56 HydrophobicContact CG1-CD2 3.85Å; V28-L56 HydrophobicContact CG1-CG 4.4Å; V54-L56 HydrophobicContact CG1-CD2 4.01Å; V54-L56 PolarHBondContact O-N 2.92Å; L56-D58 VanDerWaalsContact CB-OD1 3.28Å; L56-D58 WeakPolarHBondContact CB-OD1 3.45Å; L56-D58 PolarHBondContact O-N 2.76Å; L56-G59 PolarHBondContact O-N 3.37Å; L56-S60 PolarHBondContact N-O 3.47Å; L56-K62 HydrophobicContact CD1-CB 4.01Å; L56-K62 HydrophobicContact CD1-CD 4.25Å; L56-K62 HydrophobicContact CG-CB 4.5Å; L56-F64 HydrophobicContact CD1-CE2 4.41Å; L56-F64 HydrophobicContact CD1-CZ 4.24Å; L56-F64 HydrophobicContact CD2-CE2 3.91Å; L56-F64 HydrophobicContact CD2-CZ 4.11Å; L56-F64 HydrophobicContact CG-CE2 4.45Å
57Q89.7Confident87.2Confident161 Ų16175.1 Ų75.175%0.75239%0.385SS*.THydrogen-bonded Turntrans-65.3-19.8-177.4-170.8170.3700114.1T29 G59T29-Q57 PolarHBondContact O-N 3.28Å; T29-Q57 PolarHBondContact OG1-OE1 2.89Å; Q57-G59 PolarHBondContact O-N 2.73Å
58D87.1Confident88.3Confident122 Ų12273 Ų7365%0.65236%0.364SS*.THydrogen-bonded Turntrans-78.8-1.2172.164.61.2000113.5L56 S60L56-D58 VanDerWaalsContact CB-OD1 3.28Å; L56-D58 WeakPolarHBondContact CB-OD1 3.45Å; L56-D58 PolarHBondContact O-N 2.76Å; D58-S60 VanDerWaalsContact C-N 3.33Å; D58-S60 VanDerWaalsContact CG-OG 3.32Å; D58-S60 VanDerWaalsContact OD1-CB 3.27Å; D58-S60 WeakPolarHBondContact OD1-CB 3.49Å; D58-S60 PolarHBondContact OD1-N 3.13Å; D58-S60 PolarHBondContact OD1-OG 3.47Å; D58-S60 PolarHBondContact OD2-OG 2.82Å
59G88.1Confident89Confident56 Ų5667.5 Ų67.558%0.57735%0.345SS*.SBendtrans84.6-0.3-17700000114.4L55 L56 Q57L55-G59 WeakPolarHBondContact CD1-O 3.41Å; L56-G59 PolarHBondContact O-N 3.37Å; Q57-G59 PolarHBondContact O-N 2.73Å
60S91.1Very high89Confident46 Ų4662.8 Ų62.832%0.32234%0.34SS..  trans-78.6146.1175.972.50000111.9L56 D58L56-S60 PolarHBondContact N-O 3.47Å; D58-S60 VanDerWaalsContact C-N 3.33Å; D58-S60 VanDerWaalsContact CG-OG 3.32Å; D58-S60 VanDerWaalsContact OD1-CB 3.27Å; D58-S60 WeakPolarHBondContact OD1-CB 3.49Å; D58-S60 PolarHBondContact OD1-N 3.13Å; D58-S60 PolarHBondContact OD1-OG 3.47Å; D58-S60 PolarHBondContact OD2-OG 2.82Å
61L92.5Very high88.1Confident111 Ų11165 Ų6558%0.58136%0.36SS*.EExtended strand (participates in β ladder)trans-97.8125.5169.4-71.9167.9000108.5Q33 T53 V54 L55Q33-L61 HydrophobicContact CB-CD2 4.44Å; Q33-L61 HydrophobicContact CG-CD2 3.98Å; T53-L61 HydrophobicContact CG2-CB 4.41Å; T53-L61 HydrophobicContact CG2-CD2 4.3Å; V54-L61 WeakPolarHBondContact O-CA 3.46Å; L55-L61 HydrophobicContact CB-CD2 3.8Å; L55-L61 HydrophobicContact CD1-CD2 3.9Å; L55-L61 HydrophobicContact CD1-CG 4.18Å; L55-L61 HydrophobicContact CG-CD2 4.44Å
62K90.4Very high86.4Confident72 Ų7266 Ų6631%0.31338%0.378SS..EExtended strand (participates in β ladder)trans-134.1142.3179.1-174.9170.8169.582.50111.2P21 V54 L56 F64P21-K62 HydrophobicContact CG-CD 4.28Å; V54-K62 PolarHBondContact N-O 3.28Å; V54-K62 PolarHBondContact O-N 2.88Å; L56-K62 HydrophobicContact CD1-CB 4.01Å; L56-K62 HydrophobicContact CD1-CD 4.25Å; L56-K62 HydrophobicContact CG-CB 4.5Å; K62-F64 HydrophobicContact CB-CD2 4.42Å; K62-F64 HydrophobicContact CB-CE2 3.72Å; K62-F64 HydrophobicContact CB-CZ 4.13Å; K62-F64 HydrophobicContact CD-CE1 4Å; K62-F64 HydrophobicContact CD-CE2 4.01Å; K62-F64 HydrophobicContact CD-CZ 3.53Å; K62-F64 HydrophobicContact CG-CD2 4.32Å; K62-F64 HydrophobicContact CG-CE1 4.37Å; K62-F64 HydrophobicContact CG-CE2 3.76Å; K62-F64 HydrophobicContact CG-CZ 3.82Å
63E92.6Very high84.1Confident115 Ų11566.3 Ų66.354%0.53739%0.385SS..EExtended strand (participates in β ladder)trans-87.5138.5173.6-63.1-170.6143.400110.3V51 Y52V51-E63 HydrophobicContact CG1-CB 3.91Å; V51-E63 HydrophobicContact CG1-CG 4.32Å; Y52-E63 WeakPolarHBondContact O-CA 3.29Å
64F89.4Confident81.7Confident4 Ų472.5 Ų72.52%0.01842%0.417CS..EExtended strand (participates in β ladder)trans-138.3147.8177.8-64.3-85.3000109.6A18 Y52 V54 L56 K62 E68 I69A18-F64 HydrophobicContact CB-CD1 3.68Å; A18-F64 HydrophobicContact CB-CD2 4.06Å; A18-F64 HydrophobicContact CB-CE1 3.52Å; A18-F64 HydrophobicContact CB-CE2 3.92Å; A18-F64 HydrophobicContact CB-CG 3.93Å; A18-F64 HydrophobicContact CB-CZ 3.63Å; Y52-F64 PolarHBondContact N-O 3.1Å; Y52-F64 PolarHBondContact O-N 3.19Å; V54-F64 HydrophobicContact CB-CD2 3.94Å; V54-F64 HydrophobicContact CB-CE2 4.04Å; V54-F64 HydrophobicContact CG2-CD2 3.83Å; V54-F64 HydrophobicContact CG2-CE2 4.39Å; L56-F64 HydrophobicContact CD1-CE2 4.41Å; L56-F64 HydrophobicContact CD1-CZ 4.24Å; L56-F64 HydrophobicContact CD2-CE2 3.91Å; L56-F64 HydrophobicContact CD2-CZ 4.11Å; L56-F64 HydrophobicContact CG-CE2 4.45Å; K62-F64 HydrophobicContact CB-CD2 4.42Å; K62-F64 HydrophobicContact CB-CE2 3.72Å; K62-F64 HydrophobicContact CB-CZ 4.13Å; K62-F64 HydrophobicContact CD-CE1 4Å; K62-F64 HydrophobicContact CD-CE2 4.01Å; K62-F64 HydrophobicContact CD-CZ 3.53Å; K62-F64 HydrophobicContact CG-CD2 4.32Å; K62-F64 HydrophobicContact CG-CE1 4.37Å; K62-F64 HydrophobicContact CG-CE2 3.76Å; K62-F64 HydrophobicContact CG-CZ 3.82Å; F64-E68 WeakPolarHBondContact CA-OE2 3.47Å; F64-E68 HydrophobicContact CB-CB 4.27Å; F64-E68 HydrophobicContact CD1-CB 4.3Å; F64-I69 HydrophobicContact CB-CD1 3.61Å; F64-I69 HydrophobicContact CB-CG1 3.59Å; F64-I69 HydrophobicContact CG-CG1 4.4Å
65S87.8Confident79.4Confident24 Ų2478.9 Ų78.917%0.16845%0.446CS..EExtended strand (participates in β ladder)trans-82166.1173.762.40000112.4E67 E68 I69S65-E67 VanDerWaalsContact CB-CD 3.49Å; S65-E67 WeakPolarHBondContact CB-OE2 3.44Å; S65-E67 PolarHBondContact O-N 3.48Å; S65-E67 WeakPolarHBondContact OG-CG 3.48Å; S65-E67 PolarHBondContact OG-OE1 2.95Å; S65-E67 VanDerWaalsContact OG-OE1 3.07Å; S65-E67 PolarHBondContact OG-OE2 3.33Å; S65-E68 PolarHBondContact N-OE2 3.23Å; S65-E68 PolarHBondContact O-N 3.31Å; S65-E68 VanDerWaalsContact O-N 3.08Å; S65-E68 WeakPolarHBondContact OG-CG 3.31Å; S65-E68 PolarHBondContact OG-OE2 3.24Å; S65-I69 WeakPolarHBondContact O-CD1 3.31Å; S65-I69 VanDerWaalsContact O-CG1 3.31Å; S65-I69 WeakPolarHBondContact O-CG1 3.49Å
66E84.2Confident76.7Confident100 Ų10082.3 Ų82.347%0.46747%0.47SS..G310 helixtrans-58-34.9-179.8-166.1165.5160.700112.6S50 Y52S50-E66 VanDerWaalsContact CB-OE2 3.26Å; S50-E66 WeakPolarHBondContact CB-OE2 3.47Å; S50-E66 PolarHBondContact O-N 3.42Å; S50-E66 VanDerWaalsContact O-N 3.17Å; S50-E66 PolarHBondContact OG-OE2 3.44Å; Y52-E66 HydrophobicContact CE2-CB 3.91Å; Y52-E66 HydrophobicContact CE2-CG 4.16Å
67E82.4Confident74.1Confident148 Ų14887.4 Ų87.469%0.69251%0.513SS*.G310 helixtrans-73.4-19.2176.961.8-88.6-158.500114.9S65S65-E67 VanDerWaalsContact CB-CD 3.49Å; S65-E67 WeakPolarHBondContact CB-OE2 3.44Å; S65-E67 PolarHBondContact O-N 3.48Å; S65-E67 WeakPolarHBondContact OG-CG 3.48Å; S65-E67 PolarHBondContact OG-OE1 2.95Å; S65-E67 VanDerWaalsContact OG-OE1 3.07Å; S65-E67 PolarHBondContact OG-OE2 3.33Å
68E83.8Confident71.6Confident81 Ų8183.8 Ų83.838%0.37951%0.511SS..G310 helixtrans-88.1-7.8179.5-70.3176.1129.400113.3A18 T19 F64 S65A18-E68 VanDerWaalsContact CA-O 3.3Å; A18-E68 WeakPolarHBondContact CA-O 3.47Å; T19-E68 PolarHBondContact N-O 3.42Å; F64-E68 WeakPolarHBondContact CA-OE2 3.47Å; F64-E68 HydrophobicContact CB-CB 4.27Å; F64-E68 HydrophobicContact CD1-CB 4.3Å; S65-E68 PolarHBondContact N-OE2 3.23Å; S65-E68 PolarHBondContact O-N 3.31Å; S65-E68 VanDerWaalsContact O-N 3.08Å; S65-E68 WeakPolarHBondContact OG-CG 3.31Å; S65-E68 PolarHBondContact OG-OE2 3.24Å
69I83.3Confident69.5Low24 Ų2488.6 Ų88.612%0.12353%0.526CS..EExtended strand (participates in β ladder)trans-120.9111.6-166.4-53.7168000112.2V16 Y17 A18 Y52 F64 S65 A71V16-I69 HydrophobicContact CB-CG2 3.51Å; V16-I69 HydrophobicContact CG1-CG2 3.82Å; V16-I69 HydrophobicContact CG2-CG2 3.85Å; Y17-I69 CarbonylContact O-C 3.59Å; Y17-I69 WeakPolarHBondContact O-CA 3.49Å; A18-I69 HydrophobicContact CB-CG1 4.49Å; Y52-I69 HydrophobicContact CD1-CD1 4.01Å; Y52-I69 HydrophobicContact CD2-CD1 3.4Å; Y52-I69 VanDerWaalsContact CD2-CD1 3.4Å; Y52-I69 HydrophobicContact CE2-CD1 4.17Å; Y52-I69 HydrophobicContact CG-CD1 3.35Å; F64-I69 HydrophobicContact CB-CD1 3.61Å; F64-I69 HydrophobicContact CB-CG1 3.59Å; F64-I69 HydrophobicContact CG-CG1 4.4Å; S65-I69 WeakPolarHBondContact O-CD1 3.31Å; S65-I69 VanDerWaalsContact O-CG1 3.31Å; S65-I69 WeakPolarHBondContact O-CG1 3.49Å; I69-A71 PolarHBondContact O-N 3.25Å
70A80.3Confident66.9Low63 Ų6388.7 Ų88.752%0.52153%0.527SS..EExtended strand (participates in β ladder)trans-84.7105.8164.900000110.3Y17 G72Y17-A70 PolarHBondContact N-O 2.77Å; Y17-A70 PolarHBondContact O-N 3.39Å; A70-G72 PolarHBondContact O-N 3.44Å
71A69.1Low64.4Low65 Ų6592.8 Ų92.854%0.53755%0.553SS.*EExtended strand (participates in β ladder)trans-71.6127.2172.300000111.2V16 I69 S73V16-A71 HydrophobicContact CG1-CB 4.38Å; I69-A71 PolarHBondContact O-N 3.25Å; A71-S73 PolarHBondContact O-N 2.83Å
72G56.4Low61.8Low58 Ų5895.7 Ų95.760%0.59857%0.568SS**SBendtrans-71.632.8179.600000115.2R15 A70R15-G72 PolarHBondContact O-N 2.7Å; A70-G72 PolarHBondContact O-N 3.44Å
73S43Very low59.3Low39 Ų39102.1 Ų102.127%0.27360%0.596SS.*SBendtrans-113.9119.1-179.6-173.40000109.2R9 A71 H75R9-S73 PolarHBondContact NH2-OG 2.94Å; A71-S73 PolarHBondContact O-N 2.83Å; S73-H75 PolarHBondContact O-CD2 3.2Å; S73-H75 PolarHBondContact O-N 3.08Å; S73-H75 PolarHBondContact OG-CD2 3.15Å; S73-H75 PolarHBondContact OG-NE2 3.07Å
74N43.1Very low56.3Low161 Ų161102.6 Ų102.686%0.86161%0.612SS**  trans-51.986.6-174.1-59.3-76000114.3
75H45.8Very low53.7Low135 Ų135107.7 Ų107.763%0.62565%0.648SS**  trans-142.653.5178.1-64.9-70000112.4R9 S73R9-H75 PolarHBondContact NH2-NE2 2.91Å; S73-H75 PolarHBondContact O-CD2 3.2Å; S73-H75 PolarHBondContact O-N 3.08Å; S73-H75 PolarHBondContact OG-CD2 3.15Å; S73-H75 PolarHBondContact OG-NE2 3.07Å
76T37.3Very low51.1Low132 Ų132114 Ų11481%0.8168%0.679SS**  trans-125.287.6163.345.30000110.2A78T76-A78 PolarHBondContact O-N 3.1Å
77A38.9Very low48.8Very low118 Ų118117.9 Ų117.998%0.97569%0.694SS**  trans-76.770.3167.200000110.1
78A38Very low46.4Very low85 Ų85119.5 Ų119.570%0.70270%0.702SS**  trans-125.3120.1174.100000110.2T76 G80T76-A78 PolarHBondContact O-N 3.1Å; A78-G80 PolarHBondContact O-N 3.11Å
79K42Very low43.8Very low224 Ų224120.4 Ų120.497%0.97472%0.717SS**  trans-53.1122.8-169.1-59.8-100.3-174.6168.30113.8
80G33.7Very low41.3Very low58 Ų58125.5 Ų125.560%0.59876%0.755SS**  trans-172.8123.4165.200000111.8A78 L82A78-G80 PolarHBondContact O-N 3.11Å; G80-L82 PolarHBondContact O-N 3.1Å
81P38.6Very low39.1Very low132 Ų132127.6 Ų127.686%0.85777%0.766SS**  trans-85.189.8-176.633-33000111.3
82L38.7Very low37.2Very low171 Ų171132.4 Ų132.490%0.89578%0.783SS**  trans-108.6132.2171.4-64.5179.4000110.9G80G80-L82 PolarHBondContact O-N 3.1Å
83K37Very low36Very low208 Ų208133.6 Ų133.690%0.90479%0.794SS**  trans-81.6139.8-165.4-61.1176.8179.2178.90111.2
84S30.3Very low35.3Very low124 Ų124138.4 Ų138.487%0.86782%0.822SS**  trans-72.5123.9173.355.20000112
85S34.3Very low34.8Very low112 Ų112136.2 Ų136.278%0.78382%0.819SS**  trans-126101.7160.2-167.70000106.2
86L32.3Very low34.2Very low156 Ų156137.9 Ų137.982%0.81783%0.833SS**  81.5126.786.5-164.670000112.8
87K36.3Very low33.8Very low181 Ų181134.9 Ų134.979%0.78783%0.828SS**  trans-61.2148.1-170.2-56.612977.6175.60114.4
88Q32.5Very low33.4Very low183 Ų183138.3 Ų138.386%0.85582%0.823SS**  trans-179.5120.9131.5-94.8153.412.200106.5
89S29.3Very low33.1Very low100 Ų100143 Ų14370%0.69983%0.828SS**  54.2105.857.676.80000114.4
90S30.6Very low32.6Very low130 Ų130138.9 Ų138.991%0.90982%0.816SS**  -179.1168126.1-95.20000113.8
91S33.2Very low32.3Very low108 Ų108143.6 Ų143.676%0.75582%0.822SS**  trans-97.6168.3-163.850.40000116.1
92N30.8Very low31.9Very low166 Ų166142.3 Ų142.389%0.88882%0.816SS**  trans-21145.5167.7-523.3000118.9
93G29.9Very low31.3Very low82 Ų82138.2 Ų138.285%0.84582%0.815SS**  trans174127.5158.600000113.2
94V29.9Very low30.9Very low141 Ų141133.6 Ų133.686%0.85581%0.808SS**  trans-93.1147.617964.80000111.5
95S31.5Very low30.7Very low114 Ų114139.4 Ų139.480%0.79781%0.811SS**  trans173.3151.7140-770000112.8
96D32.6Very low30.3Very low171 Ų171139.5 Ų139.591%0.91481%0.811SS**  trans-66.5166179.6-76.4-76.9000116.2
97G30.1Very low30.8Very low68 Ų68137 Ų13770%0.70181%0.805SS**  trans136.671.5143.800000120.1
98H30.8Very low30.3Very low190 Ų190137.1 Ų137.188%0.8881%0.808SS**  trans41.6126.7137.8-82.4-136.1000122.8
99K30.5Very low30Very low184 Ų184131.8 Ų131.880%0.880%0.795SS**  99.2102.8128.9-165.9177.9176.3-168.30121.3
100L31.1Very low30Very low138 Ų138133.4 Ų133.472%0.72380%0.801SS**  88.3131.8125.2-171140.4000122.6
101E28.6Very low30Very low157 Ų157134.2 Ų134.273%0.73479%0.79SS**  trans63.7122.6158.6-77.7-132.993.200123.9
102S29.2Very low29.7Very low105 Ų105136 Ų13673%0.73479%0.786SS**  46127.3116.9-48.40000121.5
103G27Very low29.7Very low84 Ų84136 Ų13687%0.86678%0.781SS**  trans164.9130.616000000112.5
104C27.5Very low29.7Very low112 Ų112143.1 Ų143.176%0.75778%0.782SS**  trans-104.7166.4-178.3-148.60000111.9
105W26.2Very low30.5Very low246 Ų246141.9 Ų141.993%0.93278%0.777SS**  trans99.2146.6160.1-55.9-10.8000120.1
106S26.8Very low30.5Very low113 Ų113143.6 Ų143.679%0.7978%0.783SS**  trans-112.5-168.9174.1-145.40000106.7
107P42.8Very low30.6Very low105 Ų105141.8 Ų141.868%0.68277%0.773SS**  cis-139.8-160.4-0.437.8-14.1000114.7
108E24.6Very low30.7Very low183 Ų183142 Ų14286%0.85578%0.776SS**  trans71.2152.9158.9-61.1-98.483.600117.6
109A27.1Very low31.1Very low70 Ų70141 Ų14158%0.57977%0.768SS**  cis-169.2-175.9-1700000109.3
110V29.8Very low31.4Very low135 Ų135142.7 Ų142.782%0.81877%0.77SS**  trans71151.8158.6145.30000117.1
111E29.7Very low31.6Very low147 Ų147142.8 Ų142.869%0.68778%0.776SS**  cis-175.4153.9-24.4-171.917885.600108.3
112E27.3Very low31.9Very low145 Ų145140 Ų14068%0.67877%0.773SS**  trans50.1164.5162.9-83.4-170.657.600119.1
113Q30.1Very low32.3Very low167 Ų167146.7 Ų146.778%0.7878%0.782SS**  cis-157.6167.727.3-145143.850.300113.5
114R31.4Very low32.8Very low230 Ų230149.7 Ų149.787%0.86878%0.779SS**  trans-63.3-179.2-169.6-83.1-76.3-170.6119.90.5118.5
115P45.7Very low34.4Very low115 Ų115149 Ų14975%0.74777%0.773SS**  trans-110.3-170.9-15344.9-39.1000115.5
116V32.4Very low35Very low150 Ų150143.6 Ų143.691%0.90976%0.762SS**  trans-139.6152.7163.880.40000113.8
117D34Very low35.3Very low134 Ų134141.7 Ų141.772%0.71775%0.753SS**  trans-90.4163.3-166.6-170.8-88.9000114.9K119D117-K119 PolarHBondContact OD1-N 2.74Å
118G31.7Very low35.3Very low73 Ų73147.1 Ų147.175%0.75376%0.76SS**  trans-16242.1-176.600000117.9
119K39.3Very low36.1Very low167 Ų167143.7 Ų143.773%0.72676%0.757SS**  trans-22.3137.4160.3-108.4164.6177.8165.60114.4D117D117-K119 PolarHBondContact OD1-N 2.74Å
120R38.1Very low36.9Very low221 Ų221147.2 Ų147.283%0.83477%0.771SS**  cis-160.5-173.849.6-59.4167.7-76.5-69.80.9108.4
121V34.8Very low37.4Very low140 Ų140146.8 Ų146.885%0.84877%0.774SS**  cis-144-117.61267.40000114.4
122S34.3Very low38.1Very low97 Ų97147.6 Ų147.668%0.67878%0.782SS**  trans-173.3135.1-159171.90000112.9
123R37.3Very low38.8Very low246 Ų246147.8 Ų147.893%0.92879%0.786SS**  179.7159.2121.7-103.2-177.8176.4171.9-0.5113.7
124D38.6Very low39.3Very low148 Ų148148.2 Ų148.279%0.79179%0.788SS**  trans-143.7-169.9-164.7-166.1-129.9000108.2
125P60.9Low39.7Very low96 Ų96146.1 Ų146.162%0.62379%0.789SS**  -117.7-164.4-7441.2-29.1000115.5
126D37.3Very low39.6Very low134 Ų134149.2 Ų149.272%0.71779%0.79SS**  trans114154.2138.6-126.5-51.7000122.6R128D126-R128 IonicContact OD1-NH1 3.2Å
127A34.8Very low40.3Very low73 Ų73153 Ų15360%0.60379%0.788SS**  trans67.5124.5160.700000119.9
128R42.8Very low41Very low219 Ų219156.1 Ų156.183%0.82680%0.795SS**  58.8136.470.6-65.6-177.9179.795.5-4.7112.5D126D126-R128 IonicContact OD1-NH1 3.2Å
129S39.8Very low41.4Very low111 Ų111159 Ų15978%0.77680%0.798SS**  cis-168.1174.511.736.70000112.2
130V43.8Very low41.4Very low144 Ų144157 Ų15787%0.87380%0.799SS**  trans-36.8151.9177.1-71.90000119.7
131S41.1Very low42.4Very low126 Ų126152.6 Ų152.688%0.88180%0.802SS**  trans-134.4141.3150.659.30000111.7
132L45.6Very low43.2Very low164 Ų164150.9 Ų150.986%0.85980%0.797SS**  trans-121.7167.9175.1-144.2-170.6000107.1
133L41.8Very low44.2Very low148 Ų148151.9 Ų151.978%0.77580%0.804SS**  trans73137.6-176.4-117.577.4000112.2
134E39.7Very low45.1Very low176 Ų176147 Ų14782%0.82280%0.795SS**  cis-133.1155.97.4-67.4170.2102.700108
135Q39.2Very low45.7Very low187 Ų187147.1 Ų147.187%0.87480%0.795SS**  -173.2122.973.6-179.2173.6-53.300112.3
136K45Very low45.4Very low179 Ų179147.1 Ų147.178%0.77879%0.793SS**  trans-51.5125.9170.4161.2-164.8167.4-174.40114.5
137R47.4Very low45.8Very low230 Ų230146 Ų14687%0.86879%0.793SS**  -176.3130128-96.7157-139.8-135.87.6113.3
138K48.5Very low46.3Very low200 Ų200150.7 Ų150.787%0.8780%0.802SS**  trans-46.2144.3-179.6-54158.6178.9-178.40115.2
139V38.7Very low46.6Very low134 Ų134144.5 Ų144.581%0.81280%0.798SS**  174.3129120.8148.90000111.5
140V40.2Very low47.1Very low124 Ų124150.2 Ų150.275%0.75280%0.803SS**  trans61.5130.8163.4172.40000119.7S142V140-S142 PolarHBondContact O-N 2.87Å
141S59Low47.1Very low128 Ų128154.3 Ų154.390%0.89580%0.802SS**  trans-77.7102.2173.7-46.90000112.6
142S51.7Low47.5Very low104 Ų104153.9 Ų153.973%0.72780%0.799SS**  trans-154.9131.5156.859.10000106.8V140V140-S142 PolarHBondContact O-N 2.87Å
143S54.7Low47.9Very low119 Ų119154.2 Ų154.283%0.83280%0.797SS**  cis-156.3177.740.744.70000110.4
144I57.3Low48.7Very low144 Ų144155.7 Ų155.774%0.73880%0.799SS**  trans-69.3148.4-166.1-151.8155.8000113.2V146I144-V146 HydrophobicContact CG2-CG2 3.65Å; I144-V146 PolarHBondContact O-N 2.98Å; I144-V146 VanDerWaalsContact O-N 3.13Å
145D50Low49.6Very low150 Ų150155.7 Ų155.780%0.80280%0.8SS**  trans-68.4107.5165.2-177.321.3000108.5
146V54.1Low50.9Low96 Ų96152.3 Ų152.358%0.58279%0.791SS**  trans-92114.4174.9179.80000106.9I144 H148I144-V146 HydrophobicContact CG2-CG2 3.65Å; I144-V146 PolarHBondContact O-N 2.98Å; I144-V146 VanDerWaalsContact O-N 3.13Å; V146-H148 PolarHBondContact O-N 2.77Å
147P46.6Very low52.4Low109 Ų109146.5 Ų146.571%0.70877%0.769SS**  trans-60.3112.317524.3-32.5000108.6A149P147-A149 PolarHBondContact O-N 3.05Å
148H45.6Very low54.2Low173 Ų173141.8 Ų141.880%0.80176%0.758SS**  trans-53.9109179.2-91.2-86.5000109.5V146 R150V146-H148 PolarHBondContact O-N 2.77Å; H148-R150 HydrophobicContact CB-CG 4.18Å; H148-R150 PolarHBondContact O-N 3.05Å
149A49.4Very low55.9Low89 Ų89137.9 Ų137.974%0.73675%0.747SS**  trans-70.669.6168.600000109.5P147 R151P147-A149 PolarHBondContact O-N 3.05Å; A149-R151 PolarHBondContact O-N 2.9Å
150R49.4Very low58Low231 Ų231137.9 Ų137.987%0.87274%0.736SS**  trans-70.770.8164.6-65.2-142.9-78.9-167.3-4.7108.4H148H148-R150 HydrophobicContact CB-CG 4.18Å; H148-R150 PolarHBondContact O-N 3.05Å
151R43.8Very low60.2Low229 Ų229134.9 Ų134.986%0.86472%0.718SS**PPolyproline II helixtrans-74122.2162-73-167.9163.9145.31.4106.7A149A149-R151 PolarHBondContact O-N 2.9Å
152S50.7Low61.8Low117 Ų117132.2 Ų132.282%0.81870%0.696SS**PPolyproline II helixtrans-56.5136.5179.145.20000110.8
153E52.8Low63.7Low172 Ų172129.5 Ų129.580%0.80468%0.68SS**SBendtrans-52.4147.5166178.6172.5-170.800112.2
154E58.7Low65.3Low178 Ų178126.3 Ų126.383%0.83266%0.661SS**  trans56.168.3158.1-152.7168.7137.600119.5
155E59.2Low66.8Low177 Ų177125.4 Ų125.483%0.82766%0.655SS**  -136.5113.4128-167.5173-172.200108.2D157E155-D157 PolarHBondContact O-N 2.81Å
156V65.8Low68.8Low115 Ų115121.9 Ų121.970%0.69764%0.639SS**  trans-76.377.9176.1-176.90000108.2M158 V161V156-M158 PolarHBondContact O-N 2.93Å; V156-V161 HydrophobicContact CG1-CG2 3.51Å
157D76.3Confident70.3Confident57 Ų57122.9 Ų122.931%0.30564%0.64SS.*  trans-51.6110.9169.8-179.63.7000109.2E155 D159 K160 V161E155-D157 PolarHBondContact O-N 2.81Å; D157-D159 PolarHBondContact O-N 3.25Å; D157-D159 VanDerWaalsContact O-N 3.11Å; D157-D159 WeakPolarHBondContact OD1-CB 3.34Å; D157-D159 PolarHBondContact OD1-N 2.86Å; D157-K160 HydrophobicContact CB-CB 4.29Å; D157-K160 HydrophobicContact CB-CD 3.96Å; D157-K160 HydrophobicContact CB-CG 3.89Å; D157-K160 WeakPolarHBondContact O-CB 3.3Å; D157-K160 PolarHBondContact O-N 3.16Å; D157-K160 WeakPolarHBondContact OD2-CG 3.07Å; D157-K160 IonicContact OD2-NZ 3.78Å; D157-K160 PolarHBondContact OD2-NZ 2.9Å; D157-V161 PolarHBondContact O-N 3.49Å
158M86.3Confident71.9Confident131 Ų131121.5 Ų121.565%0.64563%0.63SS**Hα-helixtrans-56.6-30-176.4-170.161.662.600111.1V156 V161 T162V156-M158 PolarHBondContact O-N 2.93Å; M158-V161 PolarHBondContact O-N 3.32Å; M158-T162 WeakPolarHBondContact O-CB 3.15Å; M158-T162 PolarHBondContact O-N 3.17Å; M158-T162 PolarHBondContact O-OG1 2.8Å
159D83.6Confident73.6Confident119 Ų119117.4 Ų117.464%0.63662%0.621SS**Hα-helixtrans-70.9-30.7178.1-63.9-16.1000111.5D157 A163D157-D159 PolarHBondContact O-N 3.25Å; D157-D159 VanDerWaalsContact O-N 3.11Å; D157-D159 WeakPolarHBondContact OD1-CB 3.34Å; D157-D159 PolarHBondContact OD1-N 2.86Å; D159-A163 WeakPolarHBondContact O-CB 3.26Å; D159-A163 PolarHBondContact O-N 2.8Å
160K82.1Confident75Confident133 Ų133119.4 Ų119.458%0.57862%0.618SS**Hα-helixtrans-71.1-39.8173.1-66.6-177.8-171.484.30112.1D157 A164D157-K160 HydrophobicContact CB-CB 4.29Å; D157-K160 HydrophobicContact CB-CD 3.96Å; D157-K160 HydrophobicContact CB-CG 3.89Å; D157-K160 WeakPolarHBondContact O-CB 3.3Å; D157-K160 PolarHBondContact O-N 3.16Å; D157-K160 WeakPolarHBondContact OD2-CG 3.07Å; D157-K160 IonicContact OD2-NZ 3.78Å; D157-K160 PolarHBondContact OD2-NZ 2.9Å; K160-A164 VanDerWaalsContact O-CB 3.3Å; K160-A164 WeakPolarHBondContact O-CB 3.45Å; K160-A164 PolarHBondContact O-N 2.75Å
161V87.8Confident76Confident62 Ų62112.9 Ų112.938%0.37661%0.609SS.*Hα-helixtrans-66.6-44.1175.3-179.60000110.1V156 D157 M158 A164 M165V156-V161 HydrophobicContact CG1-CG2 3.51Å; D157-V161 PolarHBondContact O-N 3.49Å; M158-V161 PolarHBondContact O-N 3.32Å; V161-A164 PolarHBondContact O-N 2.76Å; V161-M165 HydrophobicContact CG1-SD 4.46Å; V161-M165 PolarHBondContact O-N 2.78Å
162T92.3Very high76.5Confident71 Ų71106.3 Ų106.344%0.43659%0.594SS.*Hα-helixtrans-61-46.5175.2-56.80000111.3M158 A164 M165 V166M158-T162 WeakPolarHBondContact O-CB 3.15Å; M158-T162 PolarHBondContact O-N 3.17Å; M158-T162 PolarHBondContact O-OG1 2.8Å; T162-A164 PolarHBondContact O-N 3.36Å; T162-M165 PolarHBondContact O-N 2.68Å; T162-V166 WeakPolarHBondContact O-CG2 3.39Å; T162-V166 PolarHBondContact O-N 2.81Å
163A91.6Very high76.5Confident48 Ų48104.7 Ų104.740%0.39758%0.583SS.*Hα-helixtrans-62.8-40.517600000112.4D159 V166 L167D159-A163 WeakPolarHBondContact O-CB 3.26Å; D159-A163 PolarHBondContact O-N 2.8Å; A163-V166 PolarHBondContact O-N 3.2Å; A163-L167 WeakPolarHBondContact O-CB 3.35Å; A163-L167 VanDerWaalsContact O-CG 3.25Å; A163-L167 WeakPolarHBondContact O-CG 3.35Å; A163-L167 PolarHBondContact O-N 2.73Å
164A87.6Confident76.5Confident52 Ų52102.4 Ų102.443%0.4358%0.582SS.*Hα-helixtrans-63.7-42.2175.600000112K160 V161 T162 T168K160-A164 VanDerWaalsContact O-CB 3.3Å; K160-A164 WeakPolarHBondContact O-CB 3.45Å; K160-A164 PolarHBondContact O-N 2.75Å; V161-A164 PolarHBondContact O-N 2.76Å; T162-A164 PolarHBondContact O-N 3.36Å; A164-T168 WeakPolarHBondContact O-CB 3.39Å; A164-T168 PolarHBondContact O-N 3.37Å; A164-T168 PolarHBondContact O-OG1 2.77Å
165M89.4Confident76.1Confident124 Ų124101.1 Ų101.161%0.61158%0.581SS**Hα-helixtrans-61.9-48.1173-79.317446.700111.9V161 T162 L167 T168 S169V161-M165 HydrophobicContact CG1-SD 4.46Å; V161-M165 PolarHBondContact O-N 2.78Å; T162-M165 PolarHBondContact O-N 2.68Å; M165-L167 PolarHBondContact O-N 3.23Å; M165-T168 WeakPolarHBondContact O-CA 3.15Å; M165-T168 WeakPolarHBondContact O-CB 3.34Å; M165-T168 PolarHBondContact O-N 3.5Å; M165-T168 VanDerWaalsContact O-N 3.11Å; M165-S169 PolarHBondContact O-N 3.39Å; M165-S169 PolarHBondContact O-OG 2.95Å
166V90.9Very high75.7Confident77 Ų7798.7 Ų98.747%0.46758%0.577SS.*Hα-helixtrans-60.5-45.8178.1170.30000111.2T162 A163 T168 S169 L170T162-V166 WeakPolarHBondContact O-CG2 3.39Å; T162-V166 PolarHBondContact O-N 2.81Å; A163-V166 PolarHBondContact O-N 3.2Å; V166-T168 VanDerWaalsContact C-N 3.27Å; V166-T168 PolarHBondContact O-N 3.05Å; V166-S169 PolarHBondContact O-N 3.17Å; V166-L170 HydrophobicContact CG1-CD1 3.89Å; V166-L170 HydrophobicContact CG1-CG 4.37Å; V166-L170 WeakPolarHBondContact O-CB 3.14Å; V166-L170 VanDerWaalsContact O-CG 3.28Å; V166-L170 WeakPolarHBondContact O-CG 3.41Å; V166-L170 PolarHBondContact O-N 3.21Å
167L86.3Confident74.9Confident116 Ų116104.8 Ų104.861%0.60759%0.588SS**Hα-helixtrans-63.3-33.3175.1-71.9169.4000112.3A163 M165 S171A163-L167 WeakPolarHBondContact O-CB 3.35Å; A163-L167 VanDerWaalsContact O-CG 3.25Å; A163-L167 WeakPolarHBondContact O-CG 3.35Å; A163-L167 PolarHBondContact O-N 2.73Å; M165-L167 PolarHBondContact O-N 3.23Å; L167-S171 WeakPolarHBondContact O-CB 3.32Å; L167-S171 PolarHBondContact O-N 3.22Å; L167-S171 PolarHBondContact O-OG 3.47Å
168T81.4Confident73.5Confident80 Ų80106.6 Ų106.649%0.49161%0.605SS.*Hα-helixtrans-68.2-45.1173.8-56.10000111.1A164 M165 V166 L170 S171 T172A164-T168 WeakPolarHBondContact O-CB 3.39Å; A164-T168 PolarHBondContact O-N 3.37Å; A164-T168 PolarHBondContact O-OG1 2.77Å; M165-T168 WeakPolarHBondContact O-CA 3.15Å; M165-T168 WeakPolarHBondContact O-CB 3.34Å; M165-T168 PolarHBondContact O-N 3.5Å; M165-T168 VanDerWaalsContact O-N 3.11Å; V166-T168 VanDerWaalsContact C-N 3.27Å; V166-T168 PolarHBondContact O-N 3.05Å; T168-L170 VanDerWaalsContact C-N 3.34Å; T168-L170 PolarHBondContact O-N 3.13Å; T168-S171 WeakPolarHBondContact CA-OG 3.44Å; T168-S171 PolarHBondContact O-N 3.42Å; T168-S171 PolarHBondContact O-OG 2.77Å; T168-S171 VanDerWaalsContact O-OG 3.14Å; T168-T172 WeakPolarHBondContact O-CB 3.44Å; T168-T172 PolarHBondContact O-N 2.88Å; T168-T172 PolarHBondContact O-OG1 2.92Å
169S81.1Confident71.5Confident88 Ų88106 Ų10662%0.61561%0.611SS**Hα-helixtrans-63.5-36.4174.6-61.50000113.1M165 V166M165-S169 PolarHBondContact O-N 3.39Å; M165-S169 PolarHBondContact O-OG 2.95Å; V166-S169 PolarHBondContact O-N 3.17Å
170L78.4Confident69.6Low130 Ų130105.1 Ų105.168%0.68161%0.612SS**Hα-helixtrans-73.5-33.1176.7-69.1173000112.9V166 T168V166-L170 HydrophobicContact CG1-CD1 3.89Å; V166-L170 HydrophobicContact CG1-CG 4.37Å; V166-L170 WeakPolarHBondContact O-CB 3.14Å; V166-L170 VanDerWaalsContact O-CG 3.28Å; V166-L170 WeakPolarHBondContact O-CG 3.41Å; V166-L170 PolarHBondContact O-N 3.21Å; T168-L170 VanDerWaalsContact C-N 3.34Å; T168-L170 PolarHBondContact O-N 3.13Å
171S70.7Confident67.8Low95 Ų95105.7 Ų105.766%0.66463%0.626SS**Hα-helixtrans-82.5-20.2177.654.10000113.7L167 T168L167-S171 WeakPolarHBondContact O-CB 3.32Å; L167-S171 PolarHBondContact O-N 3.22Å; L167-S171 PolarHBondContact O-OG 3.47Å; T168-S171 WeakPolarHBondContact CA-OG 3.44Å; T168-S171 PolarHBondContact O-N 3.42Å; T168-S171 PolarHBondContact O-OG 2.77Å; T168-S171 VanDerWaalsContact O-OG 3.14Å
172T53.8Low65.6Low91 Ų91110.8 Ų110.856%0.55864%0.643SS**  trans-101.952.5176.154.70000112.6T168 P174T168-T172 WeakPolarHBondContact O-CB 3.44Å; T168-T172 PolarHBondContact O-N 2.88Å; T168-T172 PolarHBondContact O-OG1 2.92Å; T172-P174 WeakPolarHBondContact O-CD 3.35Å
173S50.9Low62.9Low83 Ų83113.1 Ų113.158%0.5866%0.657SS**  trans-58.1121167.2-175.70000109.7L175S173-L175 PolarHBondContact O-N 3.21Å
174P52.6Low60.4Low123 Ų123116.5 Ų116.580%0.79968%0.678SS**  trans-73.292-177.628.8-33.7000110.2T172 V176T172-P174 WeakPolarHBondContact O-CD 3.35Å; P174-V176 PolarHBondContact O-N 2.92Å
175L50.2Low57.9Low152 Ų152122.9 Ų122.980%0.79670%0.699SS**  trans-63.5109.3168-10369.4000109.7S173S173-L175 PolarHBondContact O-N 3.21Å
176V51.6Low55.3Low125 Ų125120.2 Ų120.276%0.75870%0.703SS**  trans64.895.9157.7-167.30000116.3P174P174-V176 PolarHBondContact O-N 2.92Å
177R47.1Very low52.9Low244 Ų244124.4 Ų124.492%0.92172%0.722SS**  trans-144.197.8135.5-139.8165.7179.586.7-3.8110.9
178S48.6Very low50.5Low95 Ų95124.9 Ų124.966%0.66474%0.735SS**PPolyproline II helixtrans-57.6139.6174.249.10000111.8
179P43.6Very low48.1Very low118 Ų118124.3 Ų124.377%0.76675%0.745SS**PPolyproline II helixtrans-61.6144.8165.1-18.231.5000110.6
180P43.5Very low46Very low101 Ų101125 Ų12566%0.65675%0.749SS**PPolyproline II helixtrans-71.7139.6178.729.4-34.2000111.5K182P180-K182 PolarHBondContact O-N 2.98Å
181V45.3Very low44Very low145 Ų145128.7 Ų128.788%0.87976%0.755SS**PPolyproline II helixtrans-53.6121.2166.2166.20000109.8
182K41.4Very low42.5Very low169 Ų169133 Ų13374%0.73576%0.762SS**  trans-143108.2168.5-68.3-164.9179.2-174.10111.3P180P180-K182 PolarHBondContact O-N 2.98Å
183V35.8Very low41.8Very low119 Ų119136.2 Ų136.272%0.72178%0.775SS**  trans38.7120146.146.10000119.3
184S38.9Very low41.2Very low120 Ų120139.7 Ų139.784%0.83979%0.787SS**  trans-79.9121.5160.252.50000111.8
185E35.1Very low40.4Very low186 Ų186136.1 Ų136.187%0.86977%0.773SS**  trans-159.4125.8159.5-161.1172.515600112
186G34.5Very low39.8Very low67 Ų67134.9 Ų134.969%0.69178%0.777SS**  trans68.9154.2172.500000116.3
187L39.3Very low39Very low165 Ų165134.1 Ų134.186%0.86478%0.783SS**  cis-152.41491.7-53.2163.7000107.8
188S36.1Very low38.4Very low126 Ų126125.3 Ų125.388%0.88177%0.769SS**  trans43.4127.9157.1610000120.7
189G30.8Very low38.4Very low69 Ų69126.4 Ų126.471%0.71177%0.774SS**  cis163.1-1753.600000111.1
190S38.3Very low37.9Very low101 Ų101130.4 Ų130.471%0.70678%0.779SS**  trans70.3128.8179.3-113.40000116.8
191W36.4Very low37.7Very low209 Ų209132.2 Ų132.279%0.79279%0.789SS**  cis-165.8130.3-1038.319.8000111.1
192K38.9Very low38.2Very low186 Ų186131 Ų13181%0.80978%0.784SS**  trans44.494.815722.2176.9165.7-75.50118.2
193D39.8Very low37.7Very low157 Ų157128.4 Ų128.484%0.8479%0.787SS**  trans-68142.9138.8-163.2-63.7000109G195D193-G195 PolarHBondContact OD1-N 3.04Å
194N38.1Very low37.6Very low157 Ų157127.4 Ų127.484%0.8479%0.785SS**  trans-151.187165.9-167.1104.1000112
195G34.6Very low37.4Very low48 Ų48129.2 Ų129.250%0.49579%0.786SS.*  90.693.2121.700000117.6D193D193-G195 PolarHBondContact OD1-N 3.04Å
196S37.8Very low37.2Very low126 Ų126124.9 Ų124.988%0.88178%0.776SS**  46.4115.8123.6-55.30000120.2
197A34.8Very low37.1Very low108 Ų108126.7 Ų126.789%0.89378%0.778SS**  178.314910400000112.7
198G34.2Very low36.8Very low60 Ų60124.9 Ų124.962%0.61978%0.779SS**  trans107.1108.7156.600000116.8
199P48.3Very low36.9Very low118 Ų118122.4 Ų122.477%0.76677%0.774SS**  trans-97.1122.8174.734.6-28.3000112.1
200F33.3Very low36.9Very low201 Ų201122.8 Ų122.888%0.88278%0.777SS**  trans-142.1124.2169.3-67.7-73.8000112.7
201T39.2Very low37.2Very low140 Ų140127.8 Ų127.886%0.85978%0.782SS**  trans-112.6168.8167.357.90000108.4
202P56.2Low37.6Very low118 Ų118129.5 Ų129.577%0.76679%0.789SS**  trans-109.5161-13140.1-37.6000116.5
203S30.9Very low37.4Very low116 Ų116123.6 Ų123.681%0.81177%0.771SS**  trans178.1160.7159.7-87.40000110.7
204S33.3Very low37Very low97 Ų97127.2 Ų127.268%0.67877%0.773SS**  cis-174.6168-21.7-88.50000109
205N34.5Very low36.9Very low158 Ų158124.8 Ų124.885%0.84577%0.768SS**  trans68.4150.4172.9-78.615.9000117
206S31.5Very low37.3Very low96 Ų96125.8 Ų125.867%0.67177%0.772SS**  cis-165.6172.94.1-112.50000108.9
207S33.2Very low37.2Very low105 Ų105126.1 Ų126.173%0.73477%0.771SS**  cis-168175.6-7.6-108.30000109.9
208S33Very low37.4Very low126 Ų126125.7 Ų125.788%0.88176%0.761SS**  trans78.1136.6168.7-157.30000117
209G37.3Very low38Very low75 Ų75129.8 Ų129.877%0.77377%0.769SS**  cis148.9106.6-1.300000111.1
210G32.3Very low37.4Very low76 Ų76133 Ų13378%0.78477%0.774SS**  trans-158.798.8-173.600000113.2
211Y43.4Very low37.4Very low206 Ų206129 Ų12981%0.80877%0.771SS**  trans-88.2132-177.3175.5-92000111.3S213Y211-S213 VanDerWaalsContact CZ-CB 3.43Å; Y211-S213 VanDerWaalsContact OH-CB 3.3Å; Y211-S213 WeakPolarHBondContact OH-CB 3.33Å
212W45.4Very low37.6Very low246 Ų246129.5 Ų129.593%0.93277%0.768SS**  trans-139.290.9163.658.6-41.3000109.9
213S33.5Very low36.9Very low62 Ų62129 Ų12943%0.43477%0.765SS.*  trans-75.1138.8168.6176.80000110.2Y211 S215Y211-S213 VanDerWaalsContact CZ-CB 3.43Å; Y211-S213 VanDerWaalsContact OH-CB 3.3Å; Y211-S213 WeakPolarHBondContact OH-CB 3.33Å; S213-S215 PolarHBondContact OG-N 3.1Å; S213-S215 PolarHBondContact OG-OG 3.15Å
214W33.2Very low37Very low233 Ų233128 Ų12888%0.88376%0.758SS**  trans-108.7105.4147.880.9-57.3000107.1
215S35.2Very low37.2Very low105 Ų105128.8 Ų128.873%0.73476%0.759SS**  trans-83.6120.7167.4-65.10000108S213S213-S215 PolarHBondContact OG-N 3.1Å; S213-S215 PolarHBondContact OG-OG 3.15Å
216A42Very low37.5Very low70 Ų70127.9 Ų127.958%0.57976%0.762SS**  trans-71.3159.2169.500000111.2
217P37.3Very low37.8Very low132 Ų132128.1 Ų128.186%0.85776%0.763SS**  trans-86.7102.2152.411.57.3000109.6
218S37.4Very low38.4Very low99 Ų99128 Ų12869%0.69276%0.76SS**  trans-73.5152141.3-113.10000107.3
219D46.7Very low39.4Very low146 Ų146128.1 Ų128.178%0.78176%0.758SS**  cis-142.4165.67.1-76-55.8000109
220Q37.3Very low39.3Very low185 Ų185132.2 Ų132.286%0.86476%0.761SS**  179.6134.2108.1-158.7157.137.800112.5
221S33.1Very low39.6Very low117 Ų117134.2 Ų134.282%0.81876%0.763SS**  trans70.1120.5168.972.20000119.3
222N42.5Very low39.3Very low151 Ų151129.2 Ų129.281%0.80777%0.765SS**  trans-103.9141.3149.9-164.74.6000105S224N222-S224 PolarHBondContact OD1-N 3.07Å
223P42.6Very low38.8Very low109 Ų109125.1 Ų125.171%0.70876%0.761SS**  -148.6157.49339.4-22.9000116.2
224S32.9Very low38.9Very low93 Ų93126.4 Ų126.465%0.6577%0.77SS**  trans78.6119.6145.7-61.70000121.5N222N222-S224 PolarHBondContact OD1-N 3.07Å
225T37.2Very low39.1Very low114 Ų114124 Ų12470%0.69977%0.766SS**  trans49.1109.8134.4620000120.3S227T225-S227 PolarHBondContact O-N 3.34Å
226P40.7Very low39.5Very low139 Ų139128.7 Ų128.790%0.90377%0.773SS**  trans-77.7108.1158.931.4-30.5000110.8
227S38.1Very low39.6Very low101 Ų101130.5 Ų130.571%0.70678%0.779SS**PPolyproline II helixtrans-95.4150161.9-700000110.2T225T225-S227 PolarHBondContact O-N 3.34Å
228P46Very low39.5Very low103 Ų103132.5 Ų132.567%0.66978%0.775SS**PPolyproline II helixtrans-79.2146-171.832.4-35.4000112.1
229P53.3Low39.6Very low128 Ų128138 Ų13883%0.83178%0.78SS**PPolyproline II helixtrans-71.6148.1167.330.9-33.3000111
230L35.3Very low39.1Very low161 Ų161137.4 Ų137.484%0.84378%0.782SS**PPolyproline II helixtrans-92.8159.7-170.7-50180000112
231S37.8Very low39.5Very low118 Ų118133.8 Ų133.883%0.82577%0.774SS**PPolyproline II helixtrans-68.1158.9172.9-570000113
232A38.2Very low39.6Very low102 Ų102133.6 Ų133.684%0.84377%0.773SS**  trans71.3102.8173.100000116.8
233D35.7Very low39.3Very low159 Ų159133.4 Ų133.485%0.8578%0.777SS**  -160.7141.787.7-169.5-108.2000109.5
234S34.9Very low38.7Very low90 Ų90132 Ų13263%0.62978%0.782SS**  trans-135.290.6-167.2-162.30000111.8
235F36Very low38.7Very low181 Ų181130.8 Ų130.879%0.79478%0.784SS**  trans61.4113.3165.4-41.4-72.1000117.7
236K44.6Very low38.5Very low204 Ų204132.5 Ų132.589%0.88779%0.794SS**  -154.2125.8115-62.2-162.4-177.3172.20111.5
237P44.3Very low38.3Very low109 Ų109128.8 Ų128.871%0.70878%0.781SS**  trans-93.4131163.634.5-28.7000110.8
238F34.2Very low38Very low174 Ų174130.2 Ų130.276%0.76379%0.791SS**  165.1124.9128.5-107.8-112.5000113.6
239R39.4Very low37.4Very low214 Ų214132.6 Ų132.681%0.80880%0.798SS**  trans39.7121.3136.2-150.3-171.5-59.1-135.24.9121.2
240V36.8Very low37.9Very low134 Ų134131.6 Ų131.681%0.81279%0.792SS**  trans-112.3157.8158.6141.60000106.8
241P45.5Very low37.8Very low108 Ų108129 Ų12970%0.70179%0.793SS**  cis-138.5173.827.932.6-9.6000119.4
242S35.6Very low37.4Very low114 Ų114126.8 Ų126.880%0.79779%0.789SS**  trans60.1117.8149-67.50000122.1
243V35.4Very low37.5Very low147 Ų147125.8 Ų125.889%0.89178%0.781SS**  159.2138.1104.573.70000111.5
244G30.6Very low37.6Very low78 Ų78126.4 Ų126.480%0.80478%0.779SS**  trans70.2151.1174.800000114.9
245G32.3Very low37.8Very low68 Ų68129.5 Ų129.570%0.70179%0.788SS**  cis140125.15.600000109
246V33.8Very low38.5Very low151 Ų151125.4 Ų125.492%0.91578%0.78SS**  trans68.3137.4-171.7119.10000113.3
247G35.6Very low38Very low61 Ų61121.5 Ų121.563%0.62978%0.779SS**  cis113.584.6100000112.4
248S33.2Very low38.1Very low130 Ų130123.4 Ų123.491%0.90978%0.782SS**  trans-167.9134.8160.7-80.80000111.2
249N33.8Very low38.6Very low153 Ų153122.2 Ų122.282%0.81878%0.784SS**  trans-153.2178.8176.3-153.722.7000105.5
250P62.3Low39.1Very low108 Ų108120 Ų12070%0.70178%0.782SS**  -111.1-170.6-66.932.4-15.3000111.7
251A33.1Very low39.4Very low105 Ų105121.5 Ų121.587%0.86878%0.78SS**  trans160.9148.4130.800000114.7
252G30.9Very low39.1Very low72 Ų72123.9 Ų123.974%0.74279%0.787SS**  trans93.896.7173.800000113.2
253A39.5Very low39.3Very low82 Ų82121.8 Ų121.868%0.67878%0.784SS**  72.3145.864.600000112
254E38.3Very low39.4Very low171 Ų171119.4 Ų119.480%0.79977%0.774SS**  cis-155.4126.91.134.4-96.2104.600113.4
255D39.5Very low40.1Very low155 Ų155120.6 Ų120.683%0.82977%0.77SS**  trans47-170.2143.2-142.432.6000121.8
256P49.5Very low40.4Very low96 Ų96124.1 Ų124.162%0.62377%0.772SS**  -112.2156.4-102.436.8-24.1000116.2
257S35.2Very low41.1Very low122 Ų122124 Ų12485%0.85377%0.765SS**  trans-131.392.2154-176.60000109.1
258L45.4Very low41.2Very low148 Ų148129.3 Ų129.378%0.77577%0.771SS**  trans-79118.7161.8-79.9163.3000107.9
259D46Very low41.7Very low150 Ų150130.3 Ų130.380%0.80277%0.767SS**  trans-126.7113151.5-166.6-122.9000107.5
260E48.1Very low42.3Very low166 Ų166129.7 Ų129.778%0.77676%0.759SS**  trans-90.9101.8-176.7-70.1175.871.100110.4
261Q45Very low41.6Very low166 Ų166128.6 Ų128.678%0.77675%0.751SS**  trans-138.2106.6145.7-75.1-153.5-106.200108.3
262D38.6Very low42.3Very low158 Ų158129 Ų12985%0.84574%0.738SS**  56.392.989.7-168.847.8000111.6
263G40.3Very low43.4Very low71 Ų71129.4 Ų129.473%0.73273%0.727SS**  trans-173.753.1-165.100000110.2
264S35.7Very low44.3Very low96 Ų96135.7 Ų135.767%0.67173%0.734SS**  trans-14.6128169.5-175.30000115.4
265S47.2Very low45.1Very low104 Ų104137.4 Ų137.473%0.72774%0.738SS**  8146.5118.5-57.40000117.1
266L38.4Very low46.1Very low141 Ų141141.7 Ų141.774%0.73874%0.743SS**  trans89.282.7-169.9-49.4-176000110.9
267L48.4Very low46.3Very low148 Ų148142.9 Ų142.978%0.77574%0.738SS**SBend29.599.977.3-71.9172.8000111
268F36.6Very low47.1Very low173 Ų173141.3 Ų141.376%0.75972%0.72SS**  trans34.9106.2162-61.1-94000115.5E270F268-E270 HydrophobicContact CB-CB 3.97Å; F268-E270 PolarHBondContact O-N 3.17Å
269D44.7Very low47.9Very low152 Ų152137.4 Ų137.481%0.81371%0.705SS**  trans-70.548.3150.5-162.9-122.3000110.5P271D269-P271 WeakPolarHBondContact O-CD 3.17Å
270E44.9Very low49.5Very low140 Ų140136.6 Ų136.665%0.65470%0.699SS**  trans-57.2116.1144.6176.786.5113.200104.8F268 I272F268-E270 HydrophobicContact CB-CB 3.97Å; F268-E270 PolarHBondContact O-N 3.17Å; E270-I272 VanDerWaalsContact C-N 3.27Å; E270-I272 PolarHBondContact O-N 3.24Å
271P48.5Very low51.4Low84 Ų84134.4 Ų134.455%0.54569%0.686SS.*  trans-70.286-169.125.8-34.3000111.1D269 P273 K277D269-P271 WeakPolarHBondContact O-CD 3.17Å; P271-P273 WeakPolarHBondContact O-CD 3.12Å; P271-K277 PolarHBondContact O-NZ 2.79Å
272I47.1Very low53.7Low114 Ų114129 Ų12959%0.58566%0.664SS**  trans-43.6121.1-175.1-67.1176.7000108.2E270 R274E270-I272 VanDerWaalsContact C-N 3.27Å; E270-I272 PolarHBondContact O-N 3.24Å; I272-R274 VanDerWaalsContact C-N 3.3Å; I272-R274 PolarHBondContact O-N 2.85Å
273P55Low56.3Low80 Ų80123.9 Ų123.952%0.51964%0.636SS.*  trans-6087.8176.4-26.636.1000112.5P271 K275 K277P271-P273 WeakPolarHBondContact O-CD 3.12Å; P273-K275 PolarHBondContact O-N 2.87Å; P273-K277 HydrophobicContact CB-CB 3.88Å; P273-K277 HydrophobicContact CB-CD 3.68Å; P273-K277 HydrophobicContact CB-CG 3.9Å; P273-K277 HydrophobicContact CG-CD 4.3Å
274R58.6Low59Low215 Ų215121.2 Ų121.281%0.81160%0.604SS**  trans-66.984172-57.8-171.1-158.5112.75.8109.7I272 R276I272-R274 VanDerWaalsContact C-N 3.3Å; I272-R274 PolarHBondContact O-N 2.85Å; R274-R276 PolarHBondContact O-N 2.77Å
275K53.7Low61.9Low206 Ų206119.3 Ų119.390%0.89658%0.584SS**SBendtrans-2.2108151-163.7173.3-175.2177.30112.9P273P273-K275 PolarHBondContact O-N 2.87Å
276R60.6Low64.2Low246 Ų246114.4 Ų114.493%0.92855%0.55SS*.SBendcis-85.5124.3572.8-171.5-168.8160.64.3112.7R274R274-R276 PolarHBondContact O-N 2.77Å
277K53.3Low67Low121 Ų121112.3 Ų112.353%0.52654%0.539SS..  trans-103.498.2170-170.3103.8141.8-163.50107.7P271 P273 S279P271-K277 PolarHBondContact O-NZ 2.79Å; P273-K277 HydrophobicContact CB-CB 3.88Å; P273-K277 HydrophobicContact CB-CD 3.68Å; P273-K277 HydrophobicContact CB-CG 3.9Å; P273-K277 HydrophobicContact CG-CD 4.3Å; K277-S279 VanDerWaalsContact C-N 3.29Å; K277-S279 PolarHBondContact O-N 2.79Å
278N52.1Low69.2Low88 Ų88109 Ų10947%0.47152%0.516SS..  trans-60.4100.4161175.5-37.1000106.2M280 N333N278-M280 PolarHBondContact O-N 3.26Å; N278-N333 WeakPolarHBondContact ND2-CB 3.45Å; N278-N333 WeakPolarHBondContact OD1-CB 3.4Å
279S63.7Low72Confident66 Ų66109.4 Ų109.446%0.46252%0.517SS..  trans-7594.4174.5172.30000107.2K277 T334K277-S279 VanDerWaalsContact C-N 3.29Å; K277-S279 PolarHBondContact O-N 2.79Å; S279-T334 VanDerWaalsContact CB-OG1 3.31Å; S279-T334 WeakPolarHBondContact CB-OG1 3.45Å; S279-T334 PolarHBondContact O-N 3.08Å; S279-T334 PolarHBondContact O-OG1 3.23Å; S279-T334 PolarHBondContact OG-OG1 2.82Å
280M78.8Confident74.2Confident134 Ų134109.9 Ų109.966%0.6652%0.52SS*.EExtended strand (participates in β ladder)trans-80.3117.4171.663.3178.472.200109.5N278 L332N278-M280 PolarHBondContact O-N 3.26Å; M280-L332 CarbonylContact C-O 3.59Å; M280-L332 WeakPolarHBondContact CA-O 3.2Å
281K88.2Confident76.6Confident120 Ų120104.5 Ų104.552%0.52250%0.497SS..EExtended strand (participates in β ladder)trans-105.3117.6172.2-169.9-177-177.272.10108.1L332K281-L332 PolarHBondContact N-O 3.43Å; K281-L332 PolarHBondContact O-N 2.86Å
282V92.2Very high78.7Confident52 Ų52102.2 Ų102.232%0.31549%0.489SS..EExtended strand (participates in β ladder)trans-74.4134.1170.5-173.10000108.6F284 E329 K331V282-F284 HydrophobicContact CG1-CE1 4.31Å; V282-F284 HydrophobicContact CG1-CE2 4.01Å; V282-F284 HydrophobicContact CG1-CZ 3.82Å; V282-E329 HydrophobicContact CG1-CB 4.27Å; V282-K331 HydrophobicContact CG2-CG 4.37Å
283M94.6Very high81Confident51 Ų51101.6 Ų101.625%0.25148%0.482SS..EExtended strand (participates in β ladder)trans-127.5159.4166.8-57.2-141-66.200109V294 L295 I330 L332M283-V294 HydrophobicContact CB-CG1 3.68Å; M283-V294 HydrophobicContact CE-CG1 3.6Å; M283-V294 HydrophobicContact SD-CG1 4.13Å; M283-L295 CarbonylContact C-O 3.56Å; M283-L295 WeakPolarHBondContact CA-O 3.45Å; M283-I330 PolarHBondContact N-O 3.33Å; M283-I330 PolarHBondContact O-N 3.32Å; M283-L332 HydrophobicContact CE-CD1 3.36Å; M283-L332 HydrophobicContact CG-CD1 4.1Å; M283-L332 HydrophobicContact SD-CD1 4.31Å
284F96.3Very high83Confident14 Ų14100.6 Ų100.66%0.06147%0.474CS..EExtended strand (participates in β ladder)trans-122.5121.9-174.6-57-96.3000108.6V282 V294 L295 T298 I301 Y327 T328 E329V282-F284 HydrophobicContact CG1-CE1 4.31Å; V282-F284 HydrophobicContact CG1-CE2 4.01Å; V282-F284 HydrophobicContact CG1-CZ 3.82Å; F284-V294 CarbonylContact O-C 3.58Å; F284-V294 VanDerWaalsContact O-CA 3.29Å; F284-V294 WeakPolarHBondContact O-CA 3.46Å; F284-L295 PolarHBondContact N-O 3.24Å; F284-L295 PolarHBondContact O-N 3.06Å; F284-T298 HydrophobicContact CE1-CG2 4.22Å; F284-T298 WeakPolarHBondContact CE1-OG1 3.42Å; F284-T298 WeakPolarHBondContact CZ-OG1 3.26Å; F284-I301 HydrophobicContact CB-CB 3.92Å; F284-I301 HydrophobicContact CB-CG1 4.23Å; F284-I301 HydrophobicContact CB-CG2 3.71Å; F284-I301 HydrophobicContact CG-CG2 4.28Å; F284-I301 WeakPolarHBondContact O-CD1 3.36Å; F284-Y327 HydrophobicContact CB-CD2 4.4Å; F284-Y327 AromaticContact CD1-CD2 3.92Å; F284-Y327 HydrophobicContact CD1-CD2 3.92Å; F284-Y327 AromaticContact CD1-CE2 3.75Å; F284-Y327 HydrophobicContact CD1-CE2 3.75Å; F284-Y327 HydrophobicContact CE1-CE2 4.33Å; F284-T328 WeakPolarHBondContact CA-O 3.08Å; F284-E329 HydrophobicContact CD1-CG 3.89Å; F284-E329 HydrophobicContact CE1-CG 3.71Å; F284-E329 WeakPolarHBondContact CE1-OE1 3.49Å
285K96.5Very high84.7Confident57 Ų5793.4 Ų93.425%0.24845%0.452CS..EExtended strand (participates in β ladder)trans-107.2126.5-177.5175.5178.1176.7-176.90110.7L287 K293 V294 Y327 T328 I330K285-L287 PolarHBondContact O-N 3.1Å; K285-K293 CarbonylContact C-O 3.57Å; K285-K293 WeakPolarHBondContact CA-O 3.39Å; K285-V294 HydrophobicContact CB-CG2 4.04Å; K285-V294 HydrophobicContact CG-CG2 4.08Å; K285-Y327 CarbonylContact O-C 3.6Å; K285-Y327 WeakPolarHBondContact O-CA 3.28Å; K285-Y327 WeakPolarHBondContact O-CB 3.15Å; K285-T328 HydrophobicContact CB-CG2 4.25Å; K285-T328 PolarHBondContact N-O 3.32Å; K285-T328 PolarHBondContact O-N 3.01Å; K285-I330 HydrophobicContact CB-CD1 3.59Å; K285-I330 HydrophobicContact CB-CG1 4.23Å; K285-I330 HydrophobicContact CD-CD1 3.89Å; K285-I330 HydrophobicContact CG-CD1 4.35Å
286C96.8Very high86.7Confident1 Ų187 Ų871%0.00743%0.433CS..EExtended strand (participates in β ladder)trans-66.5129.6171-172.50000110.6W288 K293 I301 Y326C286-W288 VanDerWaalsContact SG-CB 3.55Å; C286-W288 PolarHBondContact SG-N 3.03Å; C286-K293 PolarHBondContact N-O 2.8Å; C286-I301 HydrophobicContact CB-CD1 4.01Å; C286-I301 HydrophobicContact CB-CG1 4.42Å; C286-Y326 WeakPolarHBondContact CA-O 3.36Å
287L96.3Very high88.3Confident96 Ų9678.9 Ų78.950%0.50341%0.411SS..  trans-93.7-1.2178.9-60.7179.1000112.9K285 K289 Y326 T328K285-L287 PolarHBondContact O-N 3.1Å; L287-K289 PolarHBondContact O-N 2.99Å; L287-Y326 PolarHBondContact N-O 3.41Å; L287-T328 HydrophobicContact CD2-CG2 3.91Å
288W95.4Very high90.2Very high79 Ų7975.4 Ų75.430%0.29940%0.4SS..SBendtrans-58.9136.3177.8-153.9-85.7000110.8C286 N290 C291 H309 L310 Y326C286-W288 VanDerWaalsContact SG-CB 3.55Å; C286-W288 PolarHBondContact SG-N 3.03Å; W288-N290 PolarHBondContact O-N 2.84Å; W288-C291 HydrophobicContact CB-CB 3.91Å; W288-C291 WeakPolarHBondContact O-CB 3.46Å; W288-C291 PolarHBondContact O-N 3.33Å; W288-H309 AromaticContact CD1-CE1 3.59Å; W288-H309 AromaticContact CD1-CG 3.79Å; W288-H309 AromaticContact CD1-ND1 3.36Å; W288-H309 HydrophobicContact CD2-CB 3.47Å; W288-H309 VanDerWaalsContact CD2-CB 3.47Å; W288-H309 AromaticContact CD2-CD2 3.93Å; W288-H309 AromaticContact CD2-CG 3.46Å; W288-H309 VanDerWaalsContact CD2-CG 3.46Å; W288-H309 AromaticContact CD2-ND1 3.85Å; W288-H309 AromaticContact CE2-CG 3.77Å; W288-H309 AromaticContact CE2-ND1 3.86Å; W288-H309 HydrophobicContact CE3-CB 3.56Å; W288-H309 AromaticContact CE3-CG 3.91Å; W288-H309 HydrophobicContact CG-CB 4.08Å; W288-H309 AromaticContact CG-CD2 3.66Å; W288-H309 AromaticContact CG-CE1 3.72Å; W288-H309 AromaticContact CG-CG 3.49Å; W288-H309 VanDerWaalsContact CG-CG 3.49Å; W288-H309 AromaticContact CG-ND1 3.54Å; W288-H309 AromaticContact CG-NE2 3.83Å; W288-H309 HydrophobicContact CH2-CB 3.82Å; W288-H309 HydrophobicContact CZ2-CB 3.74Å; W288-H309 HydrophobicContact CZ3-CB 3.73Å; W288-H309 AromaticContact NE1-CG 3.93Å; W288-H309 AromaticContact NE1-ND1 3.55Å; W288-L310 HydrophobicContact CH2-CD1 3.79Å; W288-L310 HydrophobicContact CZ3-CD1 3.53Å; W288-Y326 AromaticContact CE3-CD1 3.58Å; W288-Y326 HydrophobicContact CE3-CD1 3.58Å; W288-Y326 HydrophobicContact CE3-CD2 4.47Å; W288-Y326 AromaticContact CE3-CE1 3.98Å; W288-Y326 HydrophobicContact CE3-CE1 3.98Å; W288-Y326 AromaticContact CE3-CG 3.86Å; W288-Y326 HydrophobicContact CE3-CG 3.86Å; W288-Y326 HydrophobicContact CH2-CE1 4.48Å; W288-Y326 AromaticContact CZ3-CD1 3.64Å; W288-Y326 HydrophobicContact CZ3-CD1 3.64Å; W288-Y326 HydrophobicContact CZ3-CD2 4.06Å; W288-Y326 AromaticContact CZ3-CE1 3.62Å; W288-Y326 HydrophobicContact CZ3-CE1 3.62Å; W288-Y326 HydrophobicContact CZ3-CE2 4.05Å; W288-Y326 AromaticContact CZ3-CG 3.87Å; W288-Y326 HydrophobicContact CZ3-CG 3.87Å; W288-Y326 AromaticContact CZ3-CZ 3.84Å
289K93.9Very high92.2Very high182 Ų18273.8 Ų73.879%0.79140%0.398SS*.THydrogen-bonded Turntrans-51.1128.1-179.6-177.6167.964-1790109.5L287 C291L287-K289 PolarHBondContact O-N 2.99Å; K289-C291 VanDerWaalsContact C-N 3.25Å; K289-C291 PolarHBondContact O-N 2.82Å
290N91.5Very high93.7Very high162 Ų16271 Ų7187%0.86638%0.381SS*.THydrogen-bonded Turntrans63.31.3-175.982.624.9000118.5W288W288-N290 PolarHBondContact O-N 2.84Å
291C95.1Very high94.5Very high26 Ų2664.7 Ų64.718%0.17635%0.349CS..THydrogen-bonded Turntrans-84.4-60.9-178.3-1760000113.9W288 K289 K293 H304 H309W288-C291 HydrophobicContact CB-CB 3.91Å; W288-C291 WeakPolarHBondContact O-CB 3.46Å; W288-C291 PolarHBondContact O-N 3.33Å; K289-C291 VanDerWaalsContact C-N 3.25Å; K289-C291 PolarHBondContact O-N 2.82Å; C291-K293 PolarHBondContact O-N 3.27Å; C291-H304 PolarHBondContact SG-CE1 3.45Å; C291-H304 PolarHBondContact SG-NE2 2.87Å; C291-H309 VanDerWaalsContact CB-NE2 3.31Å; C291-H309 WeakPolarHBondContact CB-NE2 3.47Å; C291-H309 PolarHBondContact SG-NE2 2.85Å
292G92.7Very high94.8Very high36 Ų3660.7 Ų60.737%0.37133%0.333SS..  trans613.2176.500000117.4V294G292-V294 PolarHBondContact O-N 2.89Å
293K95.5Very high94.8Very high101 Ų10165.7 Ų65.744%0.43935%0.346SS..  trans-56.9137.2-176.6-71.7-172.9-156.9177.10111.6K285 C286 C291 I301K285-K293 CarbonylContact C-O 3.57Å; K285-K293 WeakPolarHBondContact CA-O 3.39Å; C286-K293 PolarHBondContact N-O 2.8Å; C291-K293 PolarHBondContact O-N 3.27Å; K293-I301 WeakPolarHBondContact O-CD1 3.12Å
294V96.4Very high94.8Very high59 Ų5963.9 Ų63.936%0.35834%0.337SS..EExtended strand (participates in β ladder)trans-116129.6177.8-173.90000109.5M283 F284 K285 G292M283-V294 HydrophobicContact CB-CG1 3.68Å; M283-V294 HydrophobicContact CE-CG1 3.6Å; M283-V294 HydrophobicContact SD-CG1 4.13Å; F284-V294 CarbonylContact O-C 3.58Å; F284-V294 VanDerWaalsContact O-CA 3.29Å; F284-V294 WeakPolarHBondContact O-CA 3.46Å; K285-V294 HydrophobicContact CB-CG2 4.04Å; K285-V294 HydrophobicContact CG-CG2 4.08Å; G292-V294 PolarHBondContact O-N 2.89Å
295L95.5Very high94.7Very high64 Ų6463.2 Ų63.234%0.33533%0.334SS..EExtended strand (participates in β ladder)trans-129.6157.8178.6-67.2176000110.8M283 F284 G300 I301 H304M283-L295 CarbonylContact C-O 3.56Å; M283-L295 WeakPolarHBondContact CA-O 3.45Å; F284-L295 PolarHBondContact N-O 3.24Å; F284-L295 PolarHBondContact O-N 3.06Å; L295-G300 WeakPolarHBondContact CD1-O 3.41Å; L295-I301 HydrophobicContact CB-CD1 4.19Å; L295-I301 HydrophobicContact CD1-CD1 4.06Å; L295-I301 HydrophobicContact CG-CD1 4.13Å; L295-H304 HydrophobicContact CD1-CB 4.16Å
296S94.6Very high94.5Very high71 Ų7163.2 Ų63.250%0.49733%0.332SS..SBendtrans-85.8-3.9-177.154.40000114.7
297T94.1Very high94.2Very high76 Ų7667 Ų6747%0.46636%0.355SS..SBendtrans-139.6142-174.255.90000112G300 I301T297-G300 WeakPolarHBondContact O-CA 3.47Å; T297-G300 PolarHBondContact O-N 3.37Å; T297-G300 VanDerWaalsContact O-N 3.1Å; T297-G300 PolarHBondContact OG1-N 2.95Å; T297-I301 PolarHBondContact O-N 2.86Å; T297-I301 VanDerWaalsContact O-N 3.1Å
298T95Very high94.1Very high48 Ų4866.9 Ų66.929%0.29436%0.355SS..Hα-helixtrans-56.6-52.3176.1-35.60000111.4F284 G300 I301 Q302 Y327F284-T298 HydrophobicContact CE1-CG2 4.22Å; F284-T298 WeakPolarHBondContact CE1-OG1 3.42Å; F284-T298 WeakPolarHBondContact CZ-OG1 3.26Å; T298-G300 PolarHBondContact O-N 2.78Å; T298-G300 VanDerWaalsContact O-N 3.11Å; T298-I301 VanDerWaalsContact O-CG2 3.3Å; T298-I301 WeakPolarHBondContact O-CG2 3.44Å; T298-I301 PolarHBondContact O-N 2.6Å; T298-I301 VanDerWaalsContact O-N 3.07Å; T298-Q302 HydrophobicContact CG2-CG 4.44Å; T298-Q302 VanDerWaalsContact O-CB 3.26Å; T298-Q302 WeakPolarHBondContact O-CB 3.35Å; T298-Q302 WeakPolarHBondContact O-CG 3.3Å; T298-Q302 PolarHBondContact O-N 3.42Å; T298-Y327 HydrophobicContact CG2-CE1 4.35Å; T298-Y327 HydrophobicContact CG2-CE2 4.33Å; T298-Y327 WeakPolarHBondContact CG2-OH 3.35Å
299A93.5Very high94Very high54 Ų5464.9 Ų64.945%0.44635%0.349SS..Hα-helixtrans-60.1-26.1177.200000113.5R303A299-R303 WeakPolarHBondContact O-CB 3.48Å; A299-R303 PolarHBondContact O-N 2.96Å; A299-R303 VanDerWaalsContact O-N 3.15Å
300G94.4Very high93.7Very high9 Ų957.9 Ų57.99%0.09332%0.32CS..Hα-helixtrans-70.6-49172.900000112.3L295 T297 T298 H304L295-G300 WeakPolarHBondContact CD1-O 3.41Å; T297-G300 WeakPolarHBondContact O-CA 3.47Å; T297-G300 PolarHBondContact O-N 3.37Å; T297-G300 VanDerWaalsContact O-N 3.1Å; T297-G300 PolarHBondContact OG1-N 2.95Å; T298-G300 PolarHBondContact O-N 2.78Å; T298-G300 VanDerWaalsContact O-N 3.11Å; G300-H304 WeakPolarHBondContact O-CB 3.31Å; G300-H304 PolarHBondContact O-N 3.5Å
301I95.8Very high93.2Very high0 Ų053.2 Ų53.20%031%0.31CS..Hα-helixtrans-70.2-40.1-178.8-154.472000111.9F284 C286 K293 L295 T297 T298 H304 I305 Y327F284-I301 HydrophobicContact CB-CB 3.92Å; F284-I301 HydrophobicContact CB-CG1 4.23Å; F284-I301 HydrophobicContact CB-CG2 3.71Å; F284-I301 HydrophobicContact CG-CG2 4.28Å; F284-I301 WeakPolarHBondContact O-CD1 3.36Å; C286-I301 HydrophobicContact CB-CD1 4.01Å; C286-I301 HydrophobicContact CB-CG1 4.42Å; K293-I301 WeakPolarHBondContact O-CD1 3.12Å; L295-I301 HydrophobicContact CB-CD1 4.19Å; L295-I301 HydrophobicContact CD1-CD1 4.06Å; L295-I301 HydrophobicContact CG-CD1 4.13Å; T297-I301 PolarHBondContact O-N 2.86Å; T297-I301 VanDerWaalsContact O-N 3.1Å; T298-I301 VanDerWaalsContact O-CG2 3.3Å; T298-I301 WeakPolarHBondContact O-CG2 3.44Å; T298-I301 PolarHBondContact O-N 2.6Å; T298-I301 VanDerWaalsContact O-N 3.07Å; I301-H304 WeakPolarHBondContact O-CB 3.44Å; I301-H304 PolarHBondContact O-N 2.8Å; I301-I305 HydrophobicContact CG1-CD1 4.17Å; I301-I305 WeakPolarHBondContact O-CD1 3.42Å; I301-I305 WeakPolarHBondContact O-CG1 3.48Å; I301-I305 PolarHBondContact O-N 2.88Å; I301-Y327 HydrophobicContact CG1-CG 4.35Å; I301-Y327 HydrophobicContact CG2-CD1 3.41Å; I301-Y327 VanDerWaalsContact CG2-CD1 3.41Å; I301-Y327 HydrophobicContact CG2-CD2 3.99Å; I301-Y327 HydrophobicContact CG2-CE1 3.81Å; I301-Y327 HydrophobicContact CG2-CE2 4.39Å; I301-Y327 HydrophobicContact CG2-CG 3.51Å
302Q93.9Very high92.1Very high37 Ų3759.1 Ų59.117%0.17333%0.328CS..Hα-helixtrans-55.5-55.6171.4-80.2179.2-25.400111.4T298 H304 I305 R306 E323 D324 Y327T298-Q302 HydrophobicContact CG2-CG 4.44Å; T298-Q302 VanDerWaalsContact O-CB 3.26Å; T298-Q302 WeakPolarHBondContact O-CB 3.35Å; T298-Q302 WeakPolarHBondContact O-CG 3.3Å; T298-Q302 PolarHBondContact O-N 3.42Å; Q302-H304 VanDerWaalsContact C-N 3.27Å; Q302-H304 PolarHBondContact O-N 2.81Å; Q302-I305 PolarHBondContact O-N 3.19Å; Q302-I305 VanDerWaalsContact O-N 3.08Å; Q302-R306 PolarHBondContact O-N 3.25Å; Q302-E323 WeakPolarHBondContact CA-OE2 3.49Å; Q302-E323 VanDerWaalsContact CB-CD 3.5Å; Q302-E323 HydrophobicContact CB-CG 4.28Å; Q302-E323 WeakPolarHBondContact CB-OE2 3.33Å; Q302-E323 HydrophobicContact CG-CB 4.33Å; Q302-E323 HydrophobicContact CG-CG 3.86Å; Q302-D324 PolarHBondContact NE2-OD1 3.42Å; Q302-Y327 HydrophobicContact CG-CE1 3.83Å
303R93.4Very high90.5Very high156 Ų15662.8 Ų62.859%0.58935%0.348SS*.Hα-helixtrans-55.2-42.6174.6-175.7-173.3-61.3113.70.2112.1A299 T307A299-R303 WeakPolarHBondContact O-CB 3.48Å; A299-R303 PolarHBondContact O-N 2.96Å; A299-R303 VanDerWaalsContact O-N 3.15Å; R303-T307 HydrophobicContact CG-CG2 4.33Å; R303-T307 WeakPolarHBondContact O-CB 3.27Å; R303-T307 WeakPolarHBondContact O-CG2 3.46Å; R303-T307 PolarHBondContact O-N 2.84Å; R303-T307 PolarHBondContact O-OG1 3.5Å
304H95.1Very high88.9Confident13 Ų1362.1 Ų62.16%0.0636%0.355CS..Hα-helixtrans-61.6-45.4177.416137.4000111.9C291 L295 G300 I301 Q302 T307 I308 H309C291-H304 PolarHBondContact SG-CE1 3.45Å; C291-H304 PolarHBondContact SG-NE2 2.87Å; L295-H304 HydrophobicContact CD1-CB 4.16Å; G300-H304 WeakPolarHBondContact O-CB 3.31Å; G300-H304 PolarHBondContact O-N 3.5Å; I301-H304 WeakPolarHBondContact O-CB 3.44Å; I301-H304 PolarHBondContact O-N 2.8Å; Q302-H304 VanDerWaalsContact C-N 3.27Å; Q302-H304 PolarHBondContact O-N 2.81Å; H304-T307 PolarHBondContact O-OG1 2.96Å; H304-I308 VanDerWaalsContact ND1-CG1 3.28Å; H304-I308 WeakPolarHBondContact ND1-CG1 3.47Å; H304-I308 VanDerWaalsContact O-CB 3.28Å; H304-I308 WeakPolarHBondContact O-CB 3.25Å; H304-I308 WeakPolarHBondContact O-CG1 3.28Å; H304-I308 PolarHBondContact O-N 3.26Å; H304-H309 AromaticContact CE1-CD2 3.68Å; H304-H309 AromaticContact CE1-NE2 3.28Å; H304-H309 PolarHBondContact CE1-NE2 3.25Å; H304-H309 VanDerWaalsContact CE1-NE2 3.28Å; H304-H309 AromaticContact NE2-CD2 3.91Å; H304-H309 AromaticContact NE2-NE2 3.53Å
305I94Very high86.5Confident0 Ų066.6 Ų66.60%038%0.377CS..Hα-helixtrans-61.9-51.9178.2-72.5155.9000110.3I301 Q302 T307 H309 L310 E323 Y326 Y327I301-I305 HydrophobicContact CG1-CD1 4.17Å; I301-I305 WeakPolarHBondContact O-CD1 3.42Å; I301-I305 WeakPolarHBondContact O-CG1 3.48Å; I301-I305 PolarHBondContact O-N 2.88Å; Q302-I305 PolarHBondContact O-N 3.19Å; Q302-I305 VanDerWaalsContact O-N 3.08Å; I305-T307 PolarHBondContact O-N 2.83Å; I305-H309 WeakPolarHBondContact O-CA 3.32Å; I305-H309 WeakPolarHBondContact O-CB 3.01Å; I305-H309 PolarHBondContact O-N 2.66Å; I305-L310 HydrophobicContact CG2-CD1 3.58Å; I305-L310 PolarHBondContact O-N 2.87Å; I305-L310 VanDerWaalsContact O-N 3.08Å; I305-E323 HydrophobicContact CG2-CB 4.06Å; I305-Y326 HydrophobicContact CG2-CD2 4.07Å; I305-Y326 HydrophobicContact CG2-CG 4.37Å; I305-Y327 HydrophobicContact CD1-CD1 3.88Å; I305-Y327 HydrophobicContact CD1-CG 4.46Å
306R91.1Very high84.7Confident57 Ų5768 Ų6822%0.21539%0.393CS..Hα-helixtrans-54.5-47.1177.1-86.9-177.9-78.8170.7-22.9113.7Q302 G311 R312 C318 E323Q302-R306 PolarHBondContact O-N 3.25Å; R306-G311 PolarHBondContact O-N 2.89Å; R306-G311 VanDerWaalsContact O-N 3.1Å; R306-R312 PolarHBondContact O-N 3.39Å; R306-R312 VanDerWaalsContact O-N 3.14Å; R306-C318 PolarHBondContact NH1-SG 2.97Å; R306-C318 VanDerWaalsContact NH1-SG 3.44Å; R306-E323 WeakPolarHBondContact CG-OE2 3.41Å; R306-E323 IonicContact CZ-OE1 3.5Å; R306-E323 VanDerWaalsContact CZ-OE1 3.28Å; R306-E323 IonicContact CZ-OE2 3.55Å; R306-E323 VanDerWaalsContact NE-CD 3.3Å; R306-E323 IonicContact NE-OE1 3.25Å; R306-E323 PolarHBondContact NE-OE1 3.02Å; R306-E323 IonicContact NE-OE2 2.72Å; R306-E323 PolarHBondContact NE-OE2 3.35Å; R306-E323 IonicContact NH2-OE1 3.42Å; R306-E323 PolarHBondContact NH2-OE1 3.22Å; R306-E323 IonicContact NH2-OE2 2.77Å; R306-E323 PolarHBondContact NH2-OE2 3.12Å
307T91.7Very high82.8Confident80 Ų8071.1 Ų71.149%0.49140%0.404SS..Hα-helixtrans-82.5-35.7-172.253.70000114.5R303 H304 I305R303-T307 HydrophobicContact CG-CG2 4.33Å; R303-T307 WeakPolarHBondContact O-CB 3.27Å; R303-T307 WeakPolarHBondContact O-CG2 3.46Å; R303-T307 PolarHBondContact O-N 2.84Å; R303-T307 PolarHBondContact O-OG1 3.5Å; H304-T307 PolarHBondContact O-OG1 2.96Å; I305-T307 PolarHBondContact O-N 2.83Å
308I93.3Very high81.1Confident95 Ų9570.7 Ų70.749%0.48740%0.403SS..Hα-helixtrans-97.9-25.1-174-54.5-57.2000112.4H304H304-I308 VanDerWaalsContact ND1-CG1 3.28Å; H304-I308 WeakPolarHBondContact ND1-CG1 3.47Å; H304-I308 VanDerWaalsContact O-CB 3.28Å; H304-I308 WeakPolarHBondContact O-CB 3.25Å; H304-I308 WeakPolarHBondContact O-CG1 3.28Å; H304-I308 PolarHBondContact O-N 3.26Å
309H93.3Very high79.4Confident37 Ų3773.5 Ų73.517%0.17143%0.425CS..THydrogen-bonded Turntrans-120-40.4-168.8-66.6-42.7000114.2W288 C291 H304 I305W288-H309 AromaticContact CD1-CE1 3.59Å; W288-H309 AromaticContact CD1-CG 3.79Å; W288-H309 AromaticContact CD1-ND1 3.36Å; W288-H309 HydrophobicContact CD2-CB 3.47Å; W288-H309 VanDerWaalsContact CD2-CB 3.47Å; W288-H309 AromaticContact CD2-CD2 3.93Å; W288-H309 AromaticContact CD2-CG 3.46Å; W288-H309 VanDerWaalsContact CD2-CG 3.46Å; W288-H309 AromaticContact CD2-ND1 3.85Å; W288-H309 AromaticContact CE2-CG 3.77Å; W288-H309 AromaticContact CE2-ND1 3.86Å; W288-H309 HydrophobicContact CE3-CB 3.56Å; W288-H309 AromaticContact CE3-CG 3.91Å; W288-H309 HydrophobicContact CG-CB 4.08Å; W288-H309 AromaticContact CG-CD2 3.66Å; W288-H309 AromaticContact CG-CE1 3.72Å; W288-H309 AromaticContact CG-CG 3.49Å; W288-H309 VanDerWaalsContact CG-CG 3.49Å; W288-H309 AromaticContact CG-ND1 3.54Å; W288-H309 AromaticContact CG-NE2 3.83Å; W288-H309 HydrophobicContact CH2-CB 3.82Å; W288-H309 HydrophobicContact CZ2-CB 3.74Å; W288-H309 HydrophobicContact CZ3-CB 3.73Å; W288-H309 AromaticContact NE1-CG 3.93Å; W288-H309 AromaticContact NE1-ND1 3.55Å; C291-H309 VanDerWaalsContact CB-NE2 3.31Å; C291-H309 WeakPolarHBondContact CB-NE2 3.47Å; C291-H309 PolarHBondContact SG-NE2 2.85Å; H304-H309 AromaticContact CE1-CD2 3.68Å; H304-H309 AromaticContact CE1-NE2 3.28Å; H304-H309 PolarHBondContact CE1-NE2 3.25Å; H304-H309 VanDerWaalsContact CE1-NE2 3.28Å; H304-H309 AromaticContact NE2-CD2 3.91Å; H304-H309 AromaticContact NE2-NE2 3.53Å; I305-H309 WeakPolarHBondContact O-CA 3.32Å; I305-H309 WeakPolarHBondContact O-CB 3.01Å; I305-H309 PolarHBondContact O-N 2.66Å
310L88.9Confident78.1Confident35 Ų3577 Ų7718%0.18344%0.436CS..SBendtrans-88.1-16.6175.4-77.259.6000112.1W288 I305 R312 E322 Y326W288-L310 HydrophobicContact CH2-CD1 3.79Å; W288-L310 HydrophobicContact CZ3-CD1 3.53Å; I305-L310 HydrophobicContact CG2-CD1 3.58Å; I305-L310 PolarHBondContact O-N 2.87Å; I305-L310 VanDerWaalsContact O-N 3.08Å; L310-R312 HydrophobicContact CB-CG 4.36Å; L310-R312 PolarHBondContact O-N 3.26Å; L310-R312 VanDerWaalsContact O-N 3.13Å; L310-E322 VanDerWaalsContact CD2-CD 3.44Å; L310-E322 HydrophobicContact CD2-CG 3.94Å; L310-E322 WeakPolarHBondContact CD2-OE2 3.38Å; L310-Y326 HydrophobicContact CD1-CE2 4.49Å
311G80.3Confident77.3Confident64 Ų6478.1 Ų78.166%0.6645%0.447SS*.  trans64.711.8-177.900000114.3R306 S313R306-G311 PolarHBondContact O-N 2.89Å; R306-G311 VanDerWaalsContact O-N 3.1Å; G311-S313 PolarHBondContact O-N 3.45Å
312R72.6Confident76.6Confident149 Ų14980.5 Ų80.556%0.56246%0.458SS*.  trans-89.398.5-175.5-71.9178.8176.9-177.6-5.9110R306 L310 C314 E322R306-R312 PolarHBondContact O-N 3.39Å; R306-R312 VanDerWaalsContact O-N 3.14Å; L310-R312 HydrophobicContact CB-CG 4.36Å; L310-R312 PolarHBondContact O-N 3.26Å; L310-R312 VanDerWaalsContact O-N 3.13Å; R312-C314 PolarHBondContact O-N 2.67Å; R312-E322 IonicContact CZ-OE1 2.7Å; R312-E322 IonicContact NH1-OE1 2.83Å; R312-E322 PolarHBondContact NH1-OE1 2.72Å; R312-E322 IonicContact NH1-OE2 3.28Å
313S59Low76.3Confident114 Ų11479.4 Ų79.480%0.79745%0.453SS*.  trans-65.6118.4160.3-177.80000108.3G311 D315G311-S313 PolarHBondContact O-N 3.45Å; S313-D315 PolarHBondContact O-N 2.96Å; S313-D315 VanDerWaalsContact O-N 3.16Å
314C61.2Low76.3Confident87 Ų8775.5 Ų75.559%0.58844%0.444SS*.SBendtrans-56.7113.4-171.7174.40000113.2R312R312-C314 PolarHBondContact O-N 2.67Å
315D47Very low76.2Confident152 Ų15282.9 Ų82.981%0.81348%0.476SS*.SBendtrans-141.1-25.5160.7-168-113.4000113.1S313S313-D315 PolarHBondContact O-N 2.96Å; S313-D315 VanDerWaalsContact O-N 3.16Å
316S56.3Low76.2Confident94 Ų9487.1 Ų87.166%0.65749%0.493SS*.SBendtrans-125128.6179.5-39.30000112.4
317D54.8Low76.4Confident136 Ų13685.8 Ų85.873%0.72749%0.488SS*.  trans48.362.4159.7-59-43.3000118.1S319D317-S319 PolarHBondContact O-N 3.35Å
318C57.9Low76.6Confident68 Ų6885 Ų8546%0.45948%0.483SS..THydrogen-bonded Turntrans-69.640.1164.6-66.40000113.5R306R306-C318 PolarHBondContact NH1-SG 2.97Å; R306-C318 VanDerWaalsContact NH1-SG 3.44Å
319S59.3Low76.7Confident107 Ų10785.2 Ų85.275%0.74848%0.482SS*.THydrogen-bonded Turntrans-117.3-6.2-171.1-170.60000114.5D317D317-S319 PolarHBondContact O-N 3.35Å
320D66.6Low76.7Confident128 Ų12885.9 Ų85.968%0.68449%0.486SS*.SBendtrans-80.7-15.5-172.3-161.941.3000113.9E322D320-E322 PolarHBondContact O-N 3.14Å
321G77.7Confident76.8Confident31 Ų3191.2 Ų91.232%0.3251%0.508SS..  trans67.58.9-175.900000114.2E323 D324G321-E323 PolarHBondContact O-N 3.43Å; G321-D324 WeakPolarHBondContact O-CB 3.1Å; G321-D324 PolarHBondContact O-N 3.42Å
322E82.4Confident77Confident50 Ų5090.2 Ų90.223%0.23449%0.487CS..G310 helixtrans-52.5-31.9179.961.5174.4154.200112.8L310 R312 D320 D324 Y326L310-E322 VanDerWaalsContact CD2-CD 3.44Å; L310-E322 HydrophobicContact CD2-CG 3.94Å; L310-E322 WeakPolarHBondContact CD2-OE2 3.38Å; R312-E322 IonicContact CZ-OE1 2.7Å; R312-E322 IonicContact NH1-OE1 2.83Å; R312-E322 PolarHBondContact NH1-OE1 2.72Å; R312-E322 IonicContact NH1-OE2 3.28Å; D320-E322 PolarHBondContact O-N 3.14Å; E322-D324 VanDerWaalsContact C-N 3.31Å; E322-D324 PolarHBondContact O-N 3.13Å; E322-Y326 WeakPolarHBondContact O-CD2 3.02Å; E322-Y326 WeakPolarHBondContact O-CE2 3.4Å
323E87.4Confident77.2Confident15 Ų1585 Ų857%0.0747%0.471CS..G310 helixtrans-67.6-23.8178.647.3-174170.500114.7Q302 I305 R306 G321 F325 Y326 Y327Q302-E323 WeakPolarHBondContact CA-OE2 3.49Å; Q302-E323 VanDerWaalsContact CB-CD 3.5Å; Q302-E323 HydrophobicContact CB-CG 4.28Å; Q302-E323 WeakPolarHBondContact CB-OE2 3.33Å; Q302-E323 HydrophobicContact CG-CB 4.33Å; Q302-E323 HydrophobicContact CG-CG 3.86Å; I305-E323 HydrophobicContact CG2-CB 4.06Å; R306-E323 WeakPolarHBondContact CG-OE2 3.41Å; R306-E323 IonicContact CZ-OE1 3.5Å; R306-E323 VanDerWaalsContact CZ-OE1 3.28Å; R306-E323 IonicContact CZ-OE2 3.55Å; R306-E323 VanDerWaalsContact NE-CD 3.3Å; R306-E323 IonicContact NE-OE1 3.25Å; R306-E323 PolarHBondContact NE-OE1 3.02Å; R306-E323 IonicContact NE-OE2 2.72Å; R306-E323 PolarHBondContact NE-OE2 3.35Å; R306-E323 IonicContact NH2-OE1 3.42Å; R306-E323 PolarHBondContact NH2-OE1 3.22Å; R306-E323 IonicContact NH2-OE2 2.77Å; R306-E323 PolarHBondContact NH2-OE2 3.12Å; G321-E323 PolarHBondContact O-N 3.43Å; E323-F325 VanDerWaalsContact C-N 3.33Å; E323-F325 PolarHBondContact O-N 3.43Å; E323-Y326 PolarHBondContact O-N 3.36Å; E323-Y327 WeakPolarHBondContact O-CD1 3.34Å
324D91.6Very high77.5Confident73 Ų7383.6 Ų83.639%0.3946%0.457SS..G310 helixtrans-75.5-24-176.8-63.9-3.5000112.4Q302 G321 E322 Y326 Y327Q302-D324 PolarHBondContact NE2-OD1 3.42Å; G321-D324 WeakPolarHBondContact O-CB 3.1Å; G321-D324 PolarHBondContact O-N 3.42Å; E322-D324 VanDerWaalsContact C-N 3.31Å; E322-D324 PolarHBondContact O-N 3.13Å; D324-Y326 PolarHBondContact O-N 2.59Å; D324-Y327 HydrophobicContact CB-CE1 4.18Å; D324-Y327 WeakPolarHBondContact OD1-CE1 3.35Å; D324-Y327 PolarHBondContact OD1-OH 2.8Å
325F93.4Very high77.5Confident169 Ų16985.7 Ų85.774%0.74146%0.463SS*.G310 helixtrans-70-18.4172.4-65.7-89.2000113.2E323E323-F325 VanDerWaalsContact C-N 3.33Å; E323-F325 PolarHBondContact O-N 3.43Å
326Y94.1Very high78.1Confident88 Ų8881 Ų8135%0.34544%0.442SS..G310 helixtrans-10411.1-174.4-58.2-70.3000114C286 L287 W288 I305 L310 E322 E323 D324C286-Y326 WeakPolarHBondContact CA-O 3.36Å; L287-Y326 PolarHBondContact N-O 3.41Å; W288-Y326 AromaticContact CE3-CD1 3.58Å; W288-Y326 HydrophobicContact CE3-CD1 3.58Å; W288-Y326 HydrophobicContact CE3-CD2 4.47Å; W288-Y326 AromaticContact CE3-CE1 3.98Å; W288-Y326 HydrophobicContact CE3-CE1 3.98Å; W288-Y326 AromaticContact CE3-CG 3.86Å; W288-Y326 HydrophobicContact CE3-CG 3.86Å; W288-Y326 HydrophobicContact CH2-CE1 4.48Å; W288-Y326 AromaticContact CZ3-CD1 3.64Å; W288-Y326 HydrophobicContact CZ3-CD1 3.64Å; W288-Y326 HydrophobicContact CZ3-CD2 4.06Å; W288-Y326 AromaticContact CZ3-CE1 3.62Å; W288-Y326 HydrophobicContact CZ3-CE1 3.62Å; W288-Y326 HydrophobicContact CZ3-CE2 4.05Å; W288-Y326 AromaticContact CZ3-CG 3.87Å; W288-Y326 HydrophobicContact CZ3-CG 3.87Å; W288-Y326 AromaticContact CZ3-CZ 3.84Å; I305-Y326 HydrophobicContact CG2-CD2 4.07Å; I305-Y326 HydrophobicContact CG2-CG 4.37Å; L310-Y326 HydrophobicContact CD1-CE2 4.49Å; E322-Y326 WeakPolarHBondContact O-CD2 3.02Å; E322-Y326 WeakPolarHBondContact O-CE2 3.4Å; E323-Y326 PolarHBondContact O-N 3.36Å; D324-Y326 PolarHBondContact O-N 2.59Å
327Y95.8Very high78Confident29 Ų2979.3 Ų79.311%0.11443%0.427CS..EExtended strand (participates in β ladder)trans-135.7166.4166.770-98.9000113.2F284 K285 T298 I301 Q302 I305 E323 D324F284-Y327 HydrophobicContact CB-CD2 4.4Å; F284-Y327 AromaticContact CD1-CD2 3.92Å; F284-Y327 HydrophobicContact CD1-CD2 3.92Å; F284-Y327 AromaticContact CD1-CE2 3.75Å; F284-Y327 HydrophobicContact CD1-CE2 3.75Å; F284-Y327 HydrophobicContact CE1-CE2 4.33Å; K285-Y327 CarbonylContact O-C 3.6Å; K285-Y327 WeakPolarHBondContact O-CA 3.28Å; K285-Y327 WeakPolarHBondContact O-CB 3.15Å; T298-Y327 HydrophobicContact CG2-CE1 4.35Å; T298-Y327 HydrophobicContact CG2-CE2 4.33Å; T298-Y327 WeakPolarHBondContact CG2-OH 3.35Å; I301-Y327 HydrophobicContact CG1-CG 4.35Å; I301-Y327 HydrophobicContact CG2-CD1 3.41Å; I301-Y327 VanDerWaalsContact CG2-CD1 3.41Å; I301-Y327 HydrophobicContact CG2-CD2 3.99Å; I301-Y327 HydrophobicContact CG2-CE1 3.81Å; I301-Y327 HydrophobicContact CG2-CE2 4.39Å; I301-Y327 HydrophobicContact CG2-CG 3.51Å; Q302-Y327 HydrophobicContact CG-CE1 3.83Å; I305-Y327 HydrophobicContact CD1-CD1 3.88Å; I305-Y327 HydrophobicContact CD1-CG 4.46Å; E323-Y327 WeakPolarHBondContact O-CD1 3.34Å; D324-Y327 HydrophobicContact CB-CE1 4.18Å; D324-Y327 WeakPolarHBondContact OD1-CE1 3.35Å; D324-Y327 PolarHBondContact OD1-OH 2.8Å
328T96.1Very high78.1Confident63 Ų6376.7 Ų76.739%0.38743%0.425SS..EExtended strand (participates in β ladder)trans-132.7149.1169.7-165.40000111.4F284 K285 L287 I330F284-T328 WeakPolarHBondContact CA-O 3.08Å; K285-T328 HydrophobicContact CB-CG2 4.25Å; K285-T328 PolarHBondContact N-O 3.32Å; K285-T328 PolarHBondContact O-N 3.01Å; L287-T328 HydrophobicContact CD2-CG2 3.91Å; T328-I330 HydrophobicContact CG2-CG1 4.33Å
329E96.2Very high78.1Confident101 Ų10179.9 Ų79.947%0.47244%0.437SS..EExtended strand (participates in β ladder)trans-85.7119.9175.9-56.2-165.8164.700111.1V282 F284V282-E329 HydrophobicContact CG1-CB 4.27Å; F284-E329 HydrophobicContact CD1-CG 3.89Å; F284-E329 HydrophobicContact CE1-CG 3.71Å; F284-E329 WeakPolarHBondContact CE1-OE1 3.49Å
330I93.3Very high78Confident50 Ų5076.7 Ų76.726%0.25642%0.421SS..EExtended strand (participates in β ladder)trans-103.4112.5175.4-52.9-178000108.3M283 K285 T328 L332M283-I330 PolarHBondContact N-O 3.33Å; M283-I330 PolarHBondContact O-N 3.32Å; K285-I330 HydrophobicContact CB-CD1 3.59Å; K285-I330 HydrophobicContact CB-CG1 4.23Å; K285-I330 HydrophobicContact CD-CD1 3.89Å; K285-I330 HydrophobicContact CG-CD1 4.35Å; T328-I330 HydrophobicContact CG2-CG1 4.33Å; I330-L332 HydrophobicContact CG2-CD2 3.61Å; I330-L332 HydrophobicContact CG2-CG 3.88Å; I330-L332 PolarHBondContact O-N 3.19Å
331K91Very high77.3Confident147 Ų14776 Ų7664%0.63942%0.417SS*.EExtended strand (participates in β ladder)trans-87.293175.5-65.9176-178.3172.90109.1V282V282-K331 HydrophobicContact CG2-CG 4.37Å
332L83.3Confident75.9Confident43 Ų4379.4 Ų79.423%0.22544%0.435CS..EExtended strand (participates in β ladder)trans-85.6120.9177-63.3178.1000109.7M280 K281 M283 I330 V337M280-L332 CarbonylContact C-O 3.59Å; M280-L332 WeakPolarHBondContact CA-O 3.2Å; K281-L332 PolarHBondContact N-O 3.43Å; K281-L332 PolarHBondContact O-N 2.86Å; M283-L332 HydrophobicContact CE-CD1 3.36Å; M283-L332 HydrophobicContact CG-CD1 4.1Å; M283-L332 HydrophobicContact SD-CD1 4.31Å; I330-L332 HydrophobicContact CG2-CD2 3.61Å; I330-L332 HydrophobicContact CG2-CG 3.88Å; I330-L332 PolarHBondContact O-N 3.19Å; L332-V337 HydrophobicContact CB-CG1 4.16Å; L332-V337 HydrophobicContact CD1-CG1 3.97Å; L332-V337 HydrophobicContact CD2-CG1 4.45Å; L332-V337 HydrophobicContact CG-CG1 4.43Å
333N77.7Confident74.5Confident41 Ų4181.9 Ų81.922%0.21946%0.458CS..EExtended strand (participates in β ladder)trans-78.6147.2160.469.981.3000109.2N278 D335 S336N278-N333 WeakPolarHBondContact ND2-CB 3.45Å; N278-N333 WeakPolarHBondContact OD1-CB 3.4Å; N333-D335 PolarHBondContact O-N 3.48Å; N333-D335 WeakPolarHBondContact OD1-CB 3.36Å; N333-D335 PolarHBondContact OD1-N 3.29Å; N333-S336 VanDerWaalsContact ND2-CB 3.35Å; N333-S336 WeakPolarHBondContact ND2-CB 3.33Å; N333-S336 PolarHBondContact ND2-OG 2.9Å; N333-S336 PolarHBondContact O-N 3.13Å; N333-S336 WeakPolarHBondContact OD1-CB 3.35Å; N333-S336 PolarHBondContact OD1-N 2.98Å; N333-S336 PolarHBondContact OD1-OG 3.46Å
334T64.3Low72.5Confident83 Ų8386.2 Ų86.251%0.50948%0.481SS..THydrogen-bonded Turntrans-66.3-16.5-174.3-60.80000113.4S279 V337S279-T334 VanDerWaalsContact CB-OG1 3.31Å; S279-T334 WeakPolarHBondContact CB-OG1 3.45Å; S279-T334 PolarHBondContact O-N 3.08Å; S279-T334 PolarHBondContact O-OG1 3.23Å; S279-T334 PolarHBondContact OG-OG1 2.82Å; T334-V337 WeakPolarHBondContact O-CG2 3.4Å
335D60.8Low70Confident132 Ų13286.6 Ų86.671%0.70649%0.489SS*.THydrogen-bonded Turntrans-79.8-43.3172.4-80.8-109.5000112.7N333 V337 A338N333-D335 PolarHBondContact O-N 3.48Å; N333-D335 WeakPolarHBondContact OD1-CB 3.36Å; N333-D335 PolarHBondContact OD1-N 3.29Å; D335-V337 VanDerWaalsContact C-N 3.29Å; D335-V337 PolarHBondContact O-N 2.88Å; D335-A338 PolarHBondContact O-N 3.39Å
336S59.7Low67.4Low53 Ų5383.6 Ų83.637%0.37149%0.487SS..THydrogen-bonded Turntrans-73.7-8.9-172.9-71.10000115.6N333 A338 D339 G340N333-S336 VanDerWaalsContact ND2-CB 3.35Å; N333-S336 WeakPolarHBondContact ND2-CB 3.33Å; N333-S336 PolarHBondContact ND2-OG 2.9Å; N333-S336 PolarHBondContact O-N 3.13Å; N333-S336 WeakPolarHBondContact OD1-CB 3.35Å; N333-S336 PolarHBondContact OD1-N 2.98Å; N333-S336 PolarHBondContact OD1-OG 3.46Å; S336-A338 PolarHBondContact O-N 2.91Å; S336-D339 PolarHBondContact O-N 3.31Å; S336-G340 PolarHBondContact O-N 3.35Å
337V55.6Low64.6Low59 Ų5985.8 Ų85.836%0.35851%0.509SS..Hα-helixtrans-69.6-15.5175.5-63.20000112.8L332 T334 D335L332-V337 HydrophobicContact CB-CG1 4.16Å; L332-V337 HydrophobicContact CD1-CG1 3.97Å; L332-V337 HydrophobicContact CD2-CG1 4.45Å; L332-V337 HydrophobicContact CG-CG1 4.43Å; T334-V337 WeakPolarHBondContact O-CG2 3.4Å; D335-V337 VanDerWaalsContact C-N 3.29Å; D335-V337 PolarHBondContact O-N 2.88Å
338A57.1Low61.7Low81 Ų8189.1 Ų89.167%0.66954%0.537SS*.Hα-helixtrans-69.6-40.8171.800000112.8D335 S336D335-A338 PolarHBondContact O-N 3.39Å; S336-A338 PolarHBondContact O-N 2.91Å
339D57.8Low59Low135 Ų13591.8 Ų91.872%0.72256%0.558SS**Hα-helixtrans-93.6-34.7-178.5-69.1-61.5000113.4S336 L341S336-D339 PolarHBondContact O-N 3.31Å; D339-L341 PolarHBondContact O-N 2.91Å
340G55.4Low56.2Low39 Ų3991.8 Ų91.840%0.40257%0.569SS.*Hα-helixtrans-75.5-22.1-16600000116.1S336 S343S336-G340 PolarHBondContact O-N 3.35Å; G340-S343 PolarHBondContact O-N 3.11Å
341L51.8Low53.7Low115 Ų11596.3 Ų96.360%0.60260%0.599SS**G310 helixtrans-79.2-24.6-175.9-63.7-179.7000113.1D339 S343 L344D339-L341 PolarHBondContact O-N 2.91Å; L341-S343 PolarHBondContact O-N 3.47Å; L341-L344 PolarHBondContact O-N 2.86Å
342S50.2Low51.3Low101 Ų10197.5 Ų97.571%0.70661%0.611SS**G310 helixtrans-62.6-20.2172.9-57.60000113.3
343S51.3Low49.7Very low102 Ų102100.8 Ų100.871%0.71364%0.638SS**G310 helixtrans-87.1-13.5179.2-172.30000113.9G340 L341G340-S343 PolarHBondContact O-N 3.11Å; L341-S343 PolarHBondContact O-N 3.47Å
344L46Very low48.4Very low107 Ų107104.4 Ų104.456%0.5666%0.663SS**SBendtrans-103.110.1177.1-65.5-178.2000113.6L341L341-L344 PolarHBondContact O-N 2.86Å
345S39Very low48.2Very low80 Ų80105.9 Ų105.956%0.55967%0.674SS**SBendtrans-58.3136.2159.5-166.20000108.6V347S345-V347 PolarHBondContact O-N 3.3Å
346P38.4Very low48.4Very low106 Ų106105.2 Ų105.269%0.68868%0.677SS**  trans-55.8132.917125.5-33.7000108.3S348P346-S348 VanDerWaalsContact C-N 3.33Å; P346-S348 PolarHBondContact O-N 3.18Å
347V36.7Very low48.7Very low135 Ų135108.3 Ų108.382%0.81870%0.696SS**  trans-63.198.3176.258.90000108.7S345 S349S345-V347 PolarHBondContact O-N 3.3Å; V347-S349 PolarHBondContact O-N 2.69Å
348S35Very low48.8Very low99 Ų99110.9 Ų110.969%0.69271%0.714SS**  trans-58109.3172.3-69.50000108P346 S350P346-S348 VanDerWaalsContact C-N 3.33Å; P346-S348 PolarHBondContact O-N 3.18Å; S348-S350 PolarHBondContact O-N 3.4Å
349S37.8Very low48.5Very low118 Ų118113 Ų11383%0.82572%0.721SS**  trans-64.3100.2168.3-66.20000107.9V347V347-S349 PolarHBondContact O-N 2.69Å
350S37.6Very low48.1Very low101 Ų101111.9 Ų111.971%0.70672%0.724SS**  trans-155.782.7178.3-830000111.5S348S348-S350 PolarHBondContact O-N 3.4Å
351V41.8Very low47.9Very low146 Ų146116.1 Ų116.189%0.88574%0.744SS**  trans-140.691.5135.8-168.30000108.4
352L40.1Very low47.4Very low171 Ų171118.9 Ų118.990%0.89576%0.759SS**  trans-175100.9150.8-103.8161.6000107.1
353S49.6Very low46.9Very low112 Ų112118.5 Ų118.578%0.78376%0.762SS**PPolyproline II helixtrans-62.8144179.4-60.10000111.3
354P51.2Low46.5Very low117 Ų117119.3 Ų119.376%0.7676%0.764SS**PPolyproline II helixtrans-65.8143.5163.529.8-33.2000109.7
355P58.3Low46.2Very low114 Ų114121.4 Ų121.474%0.7478%0.776SS**PPolyproline II helixtrans-68.1153.2174.329.2-34.5000111.3
356P66.3Low45.8Very low118 Ų118123.5 Ų123.577%0.76678%0.781SS**PPolyproline II helixtrans-67150.517728.9-35.1000111.8
357P66.1Low45.5Very low118 Ų118126.3 Ų126.377%0.76678%0.784SS**PPolyproline II helixtrans-69.5150.3177.529.8-35.3000111.9
358P58.3Low45.5Very low113 Ų113127.7 Ų127.773%0.73478%0.781SS**PPolyproline II helixtrans-69.6150175.929.8-34.9000111.8S360P358-S360 PolarHBondContact O-N 2.72Å
359P49.7Very low45.8Very low126 Ų126128 Ų12882%0.81878%0.781SS**PPolyproline II helixtrans-69.3128.1179.228.5-34000111.3
360S50.6Low45.4Very low111 Ų111128.2 Ų128.278%0.77677%0.773SS**PPolyproline II helixtrans-77.6128.7169.2-64.10000110P358P358-S360 PolarHBondContact O-N 2.72Å
361P49.6Very low45Very low129 Ų129127.3 Ų127.384%0.83877%0.767SS**PPolyproline II helixtrans-72.4148.617630-33.6000111.4
362L41.2Very low44.5Very low173 Ų173128 Ų12891%0.90676%0.76SS**PPolyproline II helixtrans-71.3160.5-178.4-70.1166000112.7
363A40.8Very low44Very low93 Ų93130.1 Ų130.177%0.76976%0.756SS**PPolyproline II helixtrans-61.4173.5-176.800000114.6
364P43.3Very low43.1Very low118 Ų118131.9 Ų131.977%0.76676%0.756SS**  -133.9149.4116.433.5-22.5000115.7
365L38.3Very low42Very low152 Ų152131 Ų13180%0.79676%0.758SS**  trans-10.9134.9154.2-68.7122.3000117.5
366N31.9Very low40.8Very low124 Ų124133.9 Ų133.966%0.66376%0.762SS**  -173.2142.4106.3-100.1-17.8000116.8
367H31.6Very low39.7Very low164 Ų164133.1 Ų133.176%0.75976%0.757SS**  trans55.3105.9145.8-51.1-38000122.1
368Q36.5Very low38Very low164 Ų164132 Ų13277%0.76675%0.752SS**  -63161.9128.3-128.9-136-48.300108.7
369P40.8Very low36.6Very low105 Ų105133 Ų13368%0.68275%0.751SS**  cis-150.5177.541.344.1-23000119
370D30.4Very low35.7Very low123 Ų123131.6 Ų131.666%0.65874%0.744SS**  trans70.1155.8142-113.3-69.2000126.9
371S29.1Very low34.9Very low82 Ų82135.6 Ų135.657%0.57375%0.747SS**  trans84.4105146.6-73.60000123.5
372H31.2Very low34.1Very low162 Ų162136 Ų13675%0.7574%0.738SS**  62.3118.5122.4-55.5-37.4000120.1
373R29.7Very low34.4Very low215 Ų215133.7 Ų133.781%0.81173%0.734SS**  101.914563.2-178.6-170.6161.9-165-5.6111.3
374L30.3Very low34Very low149 Ų149136.9 Ų136.978%0.7873%0.732SS**  trans111.5135.3165.6-62170.2000113
375A28.6Very low33.9Very low97 Ų97137.3 Ų137.380%0.80274%0.735SS**  cis-155.1168.7-8.100000112.6
376H32.3Very low33.5Very low176 Ų176133.9 Ų133.982%0.81574%0.736SS**  trans-71.4-179.1176.5-136.7-126.1000111.9
377P44.5Very low33.4Very low102 Ų102131.3 Ų131.366%0.66274%0.739SS**  cis-149.9179.217.744.2-23.2000121.4
378S29.1Very low33.6Very low95 Ų95129.7 Ų129.766%0.66474%0.741SS**  trans79.4144.4148.2-79.30000120.2
379D30.1Very low33.7Very low133 Ų133127.3 Ų127.371%0.71174%0.738SS**  cis-144.6172.66-151.7-100.3000114.7
380S30Very low33.8Very low96 Ų96128.7 Ų128.767%0.67175%0.747SS**  trans-39.2166.6-175.166.10000119.6
381K33.5Very low34.1Very low195 Ų195129.9 Ų129.985%0.84875%0.752SS**  cis-167.2139.230.4-165177.2179.8-177.90112.6
382E33.7Very low34.6Very low138 Ų138130.9 Ų130.965%0.64576%0.759SS**  trans-94.5160171.6-95.7-77.1114.800112H384E382-H384 IonicContact OE2-CE1 3.85Å; E382-H384 PolarHBondContact OE2-CE1 2.91Å; E382-H384 IonicContact OE2-CG 3.9Å; E382-H384 PolarHBondContact OE2-N 2.75Å; E382-H384 IonicContact OE2-ND1 2.89Å; E382-H384 PolarHBondContact OE2-ND1 2.92Å
383P46.4Very low35.2Very low125 Ų125135.3 Ų135.381%0.81277%0.769SS**  -146.2143.996.436.4-18.7000117.9
384H32.6Very low35.8Very low159 Ų159131.4 Ų131.474%0.73678%0.775SS**  trans-40.1168159.4-73-2.6000117.2E382E382-H384 IonicContact OE2-CE1 3.85Å; E382-H384 PolarHBondContact OE2-CE1 2.91Å; E382-H384 IonicContact OE2-CG 3.9Å; E382-H384 PolarHBondContact OE2-N 2.75Å; E382-H384 IonicContact OE2-ND1 2.89Å; E382-H384 PolarHBondContact OE2-ND1 2.92Å
385P41.2Very low36.4Very low127 Ų127128.3 Ų128.383%0.82577%0.771SS**  cis-144.8165.32441.1-21.6000119.9
386G31Very low37.2Very low80 Ų80129.9 Ų129.983%0.82577%0.773SS**  trans104.1138.1132.400000120.1
387G29.5Very low37.7Very low70 Ų70127 Ų12772%0.72277%0.773SS**  trans100.995.3146.300000119
388T36Very low37.7Very low130 Ų130125.2 Ų125.280%0.79877%0.767SS**  trans38.8114136.258.10000120.9
389T38.2Very low38.6Very low114 Ų114128.6 Ų128.670%0.69978%0.777SS**  trans58.9100.8133.3-36.50000119.3L391T389-L391 HydrophobicContact CG2-CG 4.33Å; T389-L391 PolarHBondContact O-N 3.23Å
390P42.6Very low39.5Very low135 Ų135132.3 Ų132.388%0.87778%0.782SS**  trans-80.196.916232-31000111
391L37.6Very low40.6Very low147 Ų147134.7 Ų134.777%0.7779%0.786SS**  trans-75.3131.4161.3-78.9169.8000110.2T389T389-L391 HydrophobicContact CG2-CG 4.33Å; T389-L391 PolarHBondContact O-N 3.23Å
392S38Very low41.2Very low103 Ų103132.3 Ų132.372%0.7278%0.782SS**  trans44.7114.1147.5-57.60000120.1
393R45Very low41.9Very low255 Ų255133.2 Ų133.296%0.96279%0.785SS**  -171.997.2128.6-108.3161157.8-124.5-7.1113.7
394S41.4Very low42Very low133 Ų133131.8 Ų131.893%0.9378%0.775SS**  trans-85.9107.1166.7-51.60000110
395A42.8Very low43Very low85 Ų85130.9 Ų130.970%0.70278%0.775SS**  trans-152.9117.2164.100000109.5S397A395-S397 PolarHBondContact O-N 3.11Å
396P45.7Very low43.5Very low130 Ų130132 Ų13284%0.84477%0.769SS**  trans-75.9124.6179.729.5-32.5000110.9A398P396-A398 PolarHBondContact O-N 2.77Å
397S43.5Very low44.5Very low115 Ų115132.3 Ų132.380%0.80476%0.764SS**  trans-80.3111.3168.6-1740000109.4A395A395-S397 PolarHBondContact O-N 3.11Å
398A44.2Very low45.4Very low65 Ų65139.5 Ų139.554%0.53777%0.771SS.*  trans-135.476.9174.200000109.9P396 Y400P396-A398 PolarHBondContact O-N 2.77Å; A398-Y400 HydrophobicContact CB-CE2 4.17Å; A398-Y400 PolarHBondContact O-N 3.39Å
399L47.2Very low46.2Very low166 Ų166142.1 Ų142.187%0.86977%0.774SS**  trans-75.697.4167.9-67.8176.1000108.9L401L399-L401 PolarHBondContact O-N 2.9Å; L399-L401 VanDerWaalsContact O-N 3.13Å
400Y49.8Very low46.6Very low211 Ų211141.5 Ų141.583%0.82778%0.781SS**  trans-70.8104.5168.3-72.6-83.5000109.3A398 I402A398-Y400 HydrophobicContact CB-CE2 4.17Å; A398-Y400 PolarHBondContact O-N 3.39Å; Y400-I402 PolarHBondContact O-N 2.89Å; Y400-I402 VanDerWaalsContact O-N 3.12Å
401L51.8Low46.8Very low146 Ų146146.4 Ų146.476%0.76478%0.781SS**  trans-7696.1176-169.366.2000109.2L399 H403L399-L401 PolarHBondContact O-N 2.9Å; L399-L401 VanDerWaalsContact O-N 3.13Å; L401-H403 VanDerWaalsContact CD2-NE2 3.33Å; L401-H403 WeakPolarHBondContact CD2-NE2 3.44Å; L401-H403 PolarHBondContact O-N 2.92Å
402I47.1Very low47.4Very low145 Ų145148.5 Ų148.574%0.74478%0.784SS**  trans-71.3107.9176.2-59.7172.8000108.3Y400 T404Y400-I402 PolarHBondContact O-N 2.89Å; Y400-I402 VanDerWaalsContact O-N 3.12Å; I402-T404 PolarHBondContact O-N 3.32Å
403H47.5Very low48Very low157 Ų157158.1 Ų158.173%0.72781%0.807SS**  trans-81.7105.9169.8-74.3-169.8000109.6L401 D405L401-H403 VanDerWaalsContact CD2-NE2 3.33Å; L401-H403 WeakPolarHBondContact CD2-NE2 3.44Å; L401-H403 PolarHBondContact O-N 2.92Å; H403-D405 PolarHBondContact O-N 2.82Å
404T48.5Very low48.1Very low95 Ų95153.3 Ų153.358%0.58380%0.799SS**  trans-84.4101.1170.2-49.60000109.2I402 H406I402-T404 PolarHBondContact O-N 3.32Å; T404-H406 WeakPolarHBondContact CG2-NE2 3.3Å; T404-H406 PolarHBondContact O-N 3.05Å
405D54.8Low48.5Very low140 Ų140154.3 Ų154.375%0.74979%0.792SS**  trans-76.3119.8171.5-170.9-102.7000110.4H403H403-D405 PolarHBondContact O-N 2.82Å
406H50.4Low48.8Very low150 Ų150158.2 Ų158.269%0.69480%0.797SS**  trans-119.778.8175.2-78.2-51.5000109.8T404 Y408T404-H406 WeakPolarHBondContact CG2-NE2 3.3Å; T404-H406 PolarHBondContact O-N 3.05Å; H406-Y408 VanDerWaalsContact C-N 3.34Å; H406-Y408 PolarHBondContact O-N 2.84Å
407A53.4Low49Very low87 Ų87159.8 Ų159.872%0.71980%0.795SS**  trans-68.884.5173.700000112.5Q409A407-Q409 PolarHBondContact O-N 3.37Å
408Y47.5Very low49.3Very low220 Ų220162.6 Ų162.686%0.86379%0.794SS**  trans-69.7109.1160.8-94.4-92.9000109.9H406H406-Y408 VanDerWaalsContact C-N 3.34Å; H406-Y408 PolarHBondContact O-N 2.84Å
409Q52.6Low49.7Very low185 Ų185169.1 Ų169.186%0.86481%0.811SS**  trans-127.398.9153-74-161.915.300110.6A407A407-Q409 PolarHBondContact O-N 3.37Å
410A46.9Very low49.8Very low102 Ų102169.4 Ų169.484%0.84381%0.807SS**  trans-71.4124.716200000108.9
411R47.9Very low49.8Very low237 Ų237166.2 Ų166.289%0.89481%0.805SS**  trans-121.799.6167.1-157.4173.7-164.2169.15109.4
412K50.2Low49.7Very low191 Ų191167.8 Ų167.883%0.8381%0.809SS**  trans-72.6134.2156.6-70-177.8176.1-178.70107.9
413Y49.3Very low49.9Very low305 Ų305169.9 Ų169.9100%1.19682%0.815SS**  -159.80122.9-100-68.1000108.3

Retrieved 413 of 413 residues in 495.9 ms (Link to these results)