A0A096MCV5_POEFO Loading...

RELT like 1

AlphaFold DB , UniProt , Accession A0A096MCV5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 222 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
1M40.3Very low49.6Very low243 Ų243143.4 Ų143.4100%1.19785%0.85SS**  0103.90-85.9134.8153.700107.7
2A46.5Very low48.8Very low98 Ų98141.4 Ų141.481%0.8184%0.841SS**  trans-92.4119.9171.400000107.2
3N45.9Very low48.6Very low169 Ų169135.5 Ų135.590%0.90483%0.827SS**  trans-85.7108.9168.6-83.5-23.1000107.7
4S58.9Low48.1Very low116 Ų116131.4 Ų131.481%0.81183%0.826SS**  trans-84.6111.4163.142.30000108.3
5D53.9Low48.2Very low151 Ų151131 Ų13181%0.80782%0.816SS**  trans-84123.3172-134.5-20.1000109.1T7D5-T7 PolarHBondContact O-N 3.48Å
6P56.2Low48.4Very low110 Ų110126.7 Ų126.771%0.71481%0.805SS**  trans-81.9106175.731.3-29.3000109.7N8P6-N8 VanDerWaalsContact C-N 3.33Å; P6-N8 PolarHBondContact O-N 3.36Å
7T52.3Low49Very low137 Ų137128.4 Ų128.484%0.8480%0.8SS**  trans-73.390166.5-7.10000108.7D5D5-T7 PolarHBondContact O-N 3.48Å
8N55.1Low49.5Very low155 Ų155124.4 Ų124.483%0.82979%0.788SS**  trans-146.388.1163.8-98.9-15.9000109.3P6P6-N8 VanDerWaalsContact C-N 3.33Å; P6-N8 PolarHBondContact O-N 3.36Å
9T44.7Very low50Low137 Ų137122.1 Ų122.184%0.8478%0.776SS**  trans-137.298158.236.40000108.7
10T50.9Low51.1Low135 Ų135118.1 Ų118.183%0.82876%0.759SS**  trans-30.3132.1145.4-55.70000110.6
11T40.5Very low52.6Low126 Ų126115.6 Ų115.677%0.77375%0.745SS**  trans-176.6133139.4-78.90000111.2
12T40.2Very low54.8Low120 Ų120108.5 Ų108.574%0.73671%0.712SS**  trans8997.5159.8-15.80000117.3G14T12-G14 PolarHBondContact O-N 3.41Å
13G46.6Very low56.8Low64 Ų64112.5 Ų112.566%0.6671%0.707SS**  trans-49.6120.9149.400000109.4N15G13-N15 VanDerWaalsContact C-N 3.28Å; G13-N15 PolarHBondContact O-N 2.97Å
14G40.9Very low58.9Low79 Ų79109.5 Ų109.581%0.81469%0.69SS**  trans-69.991.6170.100000108.4T12 G16T12-G14 PolarHBondContact O-N 3.41Å; G14-G16 VanDerWaalsContact C-N 3.35Å; G14-G16 PolarHBondContact O-N 3.48Å
15N50.6Low60.5Low125 Ų125106.4 Ų106.467%0.66867%0.672SS**  trans-54.9100.6158.8-81.5-12.3000108.5G13 E17G13-N15 VanDerWaalsContact C-N 3.28Å; G13-N15 PolarHBondContact O-N 2.97Å; N15-E17 HydrophobicContact CB-CB 4.45Å; N15-E17 HydrophobicContact CB-CG 4.01Å; N15-E17 WeakPolarHBondContact CB-OE2 3.36Å; N15-E17 PolarHBondContact ND2-OE2 2.95Å; N15-E17 PolarHBondContact O-N 2.79Å
16G50.1Low62.3Low62 Ų62106.2 Ų106.264%0.63966%0.664SS**  trans-76.457.3156.400000109.6G14 G18G14-G16 VanDerWaalsContact C-N 3.35Å; G14-G16 PolarHBondContact O-N 3.48Å; G16-G18 PolarHBondContact O-N 2.79Å
17E59.4Low64Low156 Ų156103.5 Ų103.573%0.72965%0.651SS**THydrogen-bonded Turntrans-67.2117.9174.2-89.916792.100108.9N15N15-E17 HydrophobicContact CB-CB 4.45Å; N15-E17 HydrophobicContact CB-CG 4.01Å; N15-E17 WeakPolarHBondContact CB-OE2 3.36Å; N15-E17 PolarHBondContact ND2-OE2 2.95Å; N15-E17 PolarHBondContact O-N 2.79Å
18G57.1Low66Low57 Ų57102.1 Ų102.159%0.58864%0.638SS**THydrogen-bonded Turntrans125.9-17.8160.400000117.1G16G16-G18 PolarHBondContact O-N 2.79Å
19S60.1Low67.9Low79 Ų7999.6 Ų99.655%0.55263%0.628SS**THydrogen-bonded Turntrans-123.4-34.5176.253.20000113.5S21 Y23S19-S21 VanDerWaalsContact C-N 3.3Å; S19-S21 PolarHBondContact O-N 3.38Å; S19-Y23 WeakPolarHBondContact O-CD2 3.36Å
20G71Confident70.2Confident43 Ų4398.4 Ų98.444%0.44362%0.616SS.*Hα-helixtrans-68.8-26.4178.200000113.9L24G20-L24 WeakPolarHBondContact O-CB 3.33Å; G20-L24 PolarHBondContact O-N 3.02Å
21S82.8Confident72.3Confident65 Ų6594.2 Ų94.246%0.45560%0.595SS.*Hα-helixtrans-66.7-40179.553.90000112.4S19 L24 A25S19-S21 VanDerWaalsContact C-N 3.3Å; S19-S21 PolarHBondContact O-N 3.38Å; S21-L24 PolarHBondContact O-N 3.17Å; S21-A25 WeakPolarHBondContact O-CB 3.37Å; S21-A25 PolarHBondContact O-N 3.4Å
22D86.1Confident75Confident94 Ų9495.9 Ų95.950%0.50359%0.592SS.*Hα-helixtrans-72.9-46.2-176.2-64-2.8000109.6L24 A25 F26D22-L24 VanDerWaalsContact C-N 3.27Å; D22-L24 PolarHBondContact O-N 3.47Å; D22-A25 WeakPolarHBondContact O-CB 3.23Å; D22-A25 PolarHBondContact O-N 2.94Å; D22-A25 VanDerWaalsContact O-N 3.15Å; D22-F26 HydrophobicContact CB-CE2 4.41Å; D22-F26 WeakPolarHBondContact O-CD2 3.37Å; D22-F26 PolarHBondContact O-N 3.37Å
23Y90.2Very high77.6Confident183 Ų18396.2 Ų96.272%0.71858%0.583SS**Hα-helixtrans-59.9-37.5171.8-72.3-71.4000112.4S19 A27S19-Y23 WeakPolarHBondContact O-CD2 3.36Å; Y23-A27 WeakPolarHBondContact O-CB 3.33Å; Y23-A27 PolarHBondContact O-N 3.38Å
24L90.1Very high79.9Confident105 Ų10597 Ų9755%0.5558%0.575SS.*Hα-helixtrans-65.2-44.3174.1-178.363.8000111.1G20 S21 D22 A27 L28G20-L24 WeakPolarHBondContact O-CB 3.33Å; G20-L24 PolarHBondContact O-N 3.02Å; S21-L24 PolarHBondContact O-N 3.17Å; D22-L24 VanDerWaalsContact C-N 3.27Å; D22-L24 PolarHBondContact O-N 3.47Å; L24-A27 PolarHBondContact O-N 3.4Å; L24-L28 HydrophobicContact CD1-CG 4.42Å; L24-L28 HydrophobicContact CG-CD1 4.27Å; L24-L28 HydrophobicContact CG-CG 4.49Å; L24-L28 WeakPolarHBondContact O-CB 3.29Å; L24-L28 VanDerWaalsContact O-CG 3.23Å; L24-L28 WeakPolarHBondContact O-CG 3.5Å; L24-L28 PolarHBondContact O-N 3.18Å
25A91.6Very high82.5Confident51 Ų5198.1 Ų98.142%0.42157%0.566SS.*Hα-helixtrans-61.2-46.4176.200000111.4S21 D22 A27 L28 V29S21-A25 WeakPolarHBondContact O-CB 3.37Å; S21-A25 PolarHBondContact O-N 3.4Å; D22-A25 WeakPolarHBondContact O-CB 3.23Å; D22-A25 PolarHBondContact O-N 2.94Å; D22-A25 VanDerWaalsContact O-N 3.15Å; A25-A27 VanDerWaalsContact C-N 3.34Å; A25-A27 PolarHBondContact O-N 2.84Å; A25-L28 PolarHBondContact O-N 3.19Å; A25-V29 WeakPolarHBondContact O-CG2 3.26Å; A25-V29 PolarHBondContact O-N 3.46Å
26F91.8Very high84.6Confident148 Ų14893.7 Ų93.765%0.64955%0.55SS*.Hα-helixtrans-61.4-41174.1-74.4-64.5000112.2D22 L28 V29 L30D22-F26 HydrophobicContact CB-CE2 4.41Å; D22-F26 WeakPolarHBondContact O-CD2 3.37Å; D22-F26 PolarHBondContact O-N 3.37Å; F26-L28 VanDerWaalsContact C-N 3.35Å; F26-V29 PolarHBondContact O-N 3.21Å; F26-L30 WeakPolarHBondContact O-CB 3.35Å; F26-L30 PolarHBondContact O-N 2.92Å
27A91.7Very high86.8Confident53 Ų5394.9 Ų94.944%0.43854%0.541SS..Hα-helixtrans-65.1-38176.100000112.1Y23 L24 A25 L30 A31Y23-A27 WeakPolarHBondContact O-CB 3.33Å; Y23-A27 PolarHBondContact O-N 3.38Å; L24-A27 PolarHBondContact O-N 3.4Å; A25-A27 VanDerWaalsContact C-N 3.34Å; A25-A27 PolarHBondContact O-N 2.84Å; A27-L30 PolarHBondContact O-N 3.48Å; A27-A31 WeakPolarHBondContact O-CB 3.18Å; A27-A31 PolarHBondContact O-N 3.17Å
28L94.3Very high88.4Confident108 Ų10891.1 Ų91.157%0.56553%0.529SS*.Hα-helixtrans-68-40.7175.9-71.1174.8000111.8L24 A25 F26 A31 F32L24-L28 HydrophobicContact CD1-CG 4.42Å; L24-L28 HydrophobicContact CG-CD1 4.27Å; L24-L28 HydrophobicContact CG-CG 4.49Å; L24-L28 WeakPolarHBondContact O-CB 3.29Å; L24-L28 VanDerWaalsContact O-CG 3.23Å; L24-L28 WeakPolarHBondContact O-CG 3.5Å; L24-L28 PolarHBondContact O-N 3.18Å; A25-L28 PolarHBondContact O-N 3.19Å; F26-L28 VanDerWaalsContact C-N 3.35Å; L28-A31 PolarHBondContact O-N 3.5Å; L28-F32 VanDerWaalsContact O-CB 3.28Å; L28-F32 WeakPolarHBondContact O-CB 3.23Å; L28-F32 PolarHBondContact O-N 3.36Å
29V94.9Very high90.1Very high101 Ų10190 Ų9061%0.61252%0.517SS*.Hα-helixtrans-63.2-45.8174.11720000110.6A25 F26 F32 F33A25-V29 WeakPolarHBondContact O-CG2 3.26Å; A25-V29 PolarHBondContact O-N 3.46Å; F26-V29 PolarHBondContact O-N 3.21Å; V29-F32 PolarHBondContact O-N 3.4Å; V29-F33 WeakPolarHBondContact O-CB 3.45Å; V29-F33 PolarHBondContact O-N 3.47Å
30L93.9Very high91.7Very high112 Ų11290 Ų9059%0.58651%0.514SS*.Hα-helixtrans-63.3-43.1177-177.562.2000111.6F26 A27 F33 V34F26-L30 WeakPolarHBondContact O-CB 3.35Å; F26-L30 PolarHBondContact O-N 2.92Å; A27-L30 PolarHBondContact O-N 3.48Å; L30-F33 WeakPolarHBondContact O-CB 3.47Å; L30-F33 PolarHBondContact O-N 2.96Å; L30-V34 WeakPolarHBondContact O-CG2 3.38Å; L30-V34 PolarHBondContact O-N 3.47Å
31A95.4Very high92.6Very high48 Ų4892.2 Ų92.240%0.39752%0.519SS..Hα-helixtrans-63.3-43.8176.200000111.3A27 L28 F33 V34 V35A27-A31 WeakPolarHBondContact O-CB 3.18Å; A27-A31 PolarHBondContact O-N 3.17Å; L28-A31 PolarHBondContact O-N 3.5Å; A31-F33 VanDerWaalsContact C-N 3.29Å; A31-F33 PolarHBondContact O-N 3.09Å; A31-V34 PolarHBondContact O-N 3.46Å; A31-V35 WeakPolarHBondContact O-CB 3.41Å; A31-V35 VanDerWaalsContact O-CG2 3.24Å; A31-V35 WeakPolarHBondContact O-CG2 3.29Å; A31-V35 PolarHBondContact O-N 2.88Å
32F96.1Very high93Very high161 Ų16192.7 Ų92.771%0.70652%0.519SS*.Hα-helixtrans-61.4-39.9176-174.5-99.3000111.5L28 V29 G36L28-F32 VanDerWaalsContact O-CB 3.28Å; L28-F32 WeakPolarHBondContact O-CB 3.23Å; L28-F32 PolarHBondContact O-N 3.36Å; V29-F32 PolarHBondContact O-N 3.4Å; F32-G36 WeakPolarHBondContact O-CA 3.24Å; F32-G36 PolarHBondContact O-N 3.02Å
33F95.6Very high92.9Very high126 Ų12691.3 Ų91.355%0.55352%0.516SS*.Hα-helixtrans-63.3-47175.3-171.2-106.6000111.9V29 L30 A31 G36 L37V29-F33 WeakPolarHBondContact O-CB 3.45Å; V29-F33 PolarHBondContact O-N 3.47Å; L30-F33 WeakPolarHBondContact O-CB 3.47Å; L30-F33 PolarHBondContact O-N 2.96Å; A31-F33 VanDerWaalsContact C-N 3.29Å; A31-F33 PolarHBondContact O-N 3.09Å; F33-G36 PolarHBondContact O-N 2.83Å; F33-L37 HydrophobicContact CD1-CD1 3.8Å; F33-L37 HydrophobicContact CD1-CG 4.35Å; F33-L37 HydrophobicContact CD2-CG 4.45Å; F33-L37 HydrophobicContact CE1-CD1 3.26Å; F33-L37 HydrophobicContact CE1-CG 4.13Å; F33-L37 HydrophobicContact CE2-CD1 4.1Å; F33-L37 HydrophobicContact CE2-CD2 4.4Å; F33-L37 HydrophobicContact CE2-CG 4.22Å; F33-L37 HydrophobicContact CG-CD1 4.43Å; F33-L37 HydrophobicContact CZ-CD1 3.45Å; F33-L37 VanDerWaalsContact CZ-CD1 3.45Å; F33-L37 HydrophobicContact CZ-CD2 4.39Å; F33-L37 HydrophobicContact CZ-CG 4.07Å; F33-L37 WeakPolarHBondContact O-CB 3.29Å; F33-L37 VanDerWaalsContact O-CG 3.3Å; F33-L37 WeakPolarHBondContact O-CG 3.25Å; F33-L37 PolarHBondContact O-N 3.15Å
34V95.2Very high92.7Very high80 Ų8086.8 Ų86.849%0.48550%0.501SS..Hα-helixtrans-63-45.8177.8173.40000111.2L30 A31 T38L30-V34 WeakPolarHBondContact O-CG2 3.38Å; L30-V34 PolarHBondContact O-N 3.47Å; A31-V34 PolarHBondContact O-N 3.46Å; V34-T38 VanDerWaalsContact O-CB 3.26Å; V34-T38 WeakPolarHBondContact O-CB 3.35Å; V34-T38 PolarHBondContact O-N 2.84Å; V34-T38 PolarHBondContact O-OG1 2.85Å
35V95.1Very high92.7Very high103 Ų10385.3 Ų85.362%0.62450%0.496SS*.Hα-helixtrans-66.4-42.4178.7173.30000111A31 T38 G39A31-V35 WeakPolarHBondContact O-CB 3.41Å; A31-V35 VanDerWaalsContact O-CG2 3.24Å; A31-V35 WeakPolarHBondContact O-CG2 3.29Å; A31-V35 PolarHBondContact O-N 2.88Å; V35-T38 PolarHBondContact O-N 2.97Å; V35-G39 PolarHBondContact O-N 3.42Å
36G94.4Very high92.5Very high32 Ų3285.8 Ų85.833%0.3349%0.491SS..Hα-helixtrans-64.3-49.9178.800000112.4F32 F33 T38 G39 V40F32-G36 WeakPolarHBondContact O-CA 3.24Å; F32-G36 PolarHBondContact O-N 3.02Å; F33-G36 PolarHBondContact O-N 2.83Å; G36-T38 VanDerWaalsContact C-N 3.3Å; G36-T38 PolarHBondContact O-N 2.83Å; G36-G39 WeakPolarHBondContact O-CA 3.33Å; G36-G39 PolarHBondContact O-N 2.87Å; G36-G39 VanDerWaalsContact O-N 3.1Å; G36-V40 PolarHBondContact O-N 2.91Å
37L95.3Very high92Very high87 Ų8784.4 Ų84.446%0.45549%0.485SS..Hα-helixtrans-62.3-38.9174.9-70.6-173000112F33 G39 V40 V41F33-L37 HydrophobicContact CD1-CD1 3.8Å; F33-L37 HydrophobicContact CD1-CG 4.35Å; F33-L37 HydrophobicContact CD2-CG 4.45Å; F33-L37 HydrophobicContact CE1-CD1 3.26Å; F33-L37 HydrophobicContact CE1-CG 4.13Å; F33-L37 HydrophobicContact CE2-CD1 4.1Å; F33-L37 HydrophobicContact CE2-CD2 4.4Å; F33-L37 HydrophobicContact CE2-CG 4.22Å; F33-L37 HydrophobicContact CG-CD1 4.43Å; F33-L37 HydrophobicContact CZ-CD1 3.45Å; F33-L37 VanDerWaalsContact CZ-CD1 3.45Å; F33-L37 HydrophobicContact CZ-CD2 4.39Å; F33-L37 HydrophobicContact CZ-CG 4.07Å; F33-L37 WeakPolarHBondContact O-CB 3.29Å; F33-L37 VanDerWaalsContact O-CG 3.3Å; F33-L37 WeakPolarHBondContact O-CG 3.25Å; F33-L37 PolarHBondContact O-N 3.15Å; L37-G39 VanDerWaalsContact C-N 3.28Å; L37-G39 PolarHBondContact O-N 2.89Å; L37-V40 PolarHBondContact O-N 2.73Å; L37-V41 WeakPolarHBondContact O-CG2 3.34Å; L37-V41 PolarHBondContact O-N 3.41Å
38T94.2Very high91.6Very high77 Ų7789.3 Ų89.347%0.47250%0.496SS..Hα-helixtrans-61-40.8174.1-590000110.8V34 V35 G36 V41 V42V34-T38 VanDerWaalsContact O-CB 3.26Å; V34-T38 WeakPolarHBondContact O-CB 3.35Å; V34-T38 PolarHBondContact O-N 2.84Å; V34-T38 PolarHBondContact O-OG1 2.85Å; V35-T38 PolarHBondContact O-N 2.97Å; G36-T38 VanDerWaalsContact C-N 3.3Å; G36-T38 PolarHBondContact O-N 2.83Å; T38-V41 PolarHBondContact O-N 3.06Å; T38-V42 HydrophobicContact CG2-CG2 4.22Å; T38-V42 WeakPolarHBondContact O-CB 3.33Å; T38-V42 WeakPolarHBondContact O-CG2 3.08Å; T38-V42 PolarHBondContact O-N 3.44Å
39G93.2Very high91Very high33 Ų3393.3 Ų93.334%0.3450%0.504SS..Hα-helixtrans-56.8-49.4173.100000112.3V35 G36 L37 V41 V42 C43V35-G39 PolarHBondContact O-N 3.42Å; G36-G39 WeakPolarHBondContact O-CA 3.33Å; G36-G39 PolarHBondContact O-N 2.87Å; G36-G39 VanDerWaalsContact O-N 3.1Å; L37-G39 VanDerWaalsContact C-N 3.28Å; L37-G39 PolarHBondContact O-N 2.89Å; G39-V41 PolarHBondContact O-N 3.4Å; G39-V42 PolarHBondContact O-N 2.98Å; G39-C43 WeakPolarHBondContact O-CB 3.4Å; G39-C43 PolarHBondContact O-N 3.26Å; G39-C43 PolarHBondContact O-SG 2.92Å
40V92.1Very high90.1Very high80 Ų8091.8 Ų91.849%0.48551%0.508SS..Hα-helixtrans-60.2-45.6177.7177.60000111.5G36 L37 V42 C43 H44G36-V40 PolarHBondContact O-N 2.91Å; L37-V40 PolarHBondContact O-N 2.73Å; V40-V42 PolarHBondContact O-N 2.99Å; V40-C43 PolarHBondContact O-N 3.25Å; V40-H44 WeakPolarHBondContact O-CB 3.47Å; V40-H44 PolarHBondContact O-N 2.84Å
41V91.4Very high89.2Confident90 Ų9093.5 Ų93.555%0.54551%0.508SS..Hα-helixtrans-63.6-43.6178.6172.50000111.2L37 T38 G39 H44 V45L37-V41 WeakPolarHBondContact O-CG2 3.34Å; L37-V41 PolarHBondContact O-N 3.41Å; T38-V41 PolarHBondContact O-N 3.06Å; G39-V41 PolarHBondContact O-N 3.4Å; V41-H44 PolarHBondContact O-N 3.3Å; V41-V45 HydrophobicContact CG1-CG2 4.47Å; V41-V45 WeakPolarHBondContact O-CG2 3.48Å; V41-V45 PolarHBondContact O-N 3.08Å
42V89.8Confident87.9Confident75 Ų75101.5 Ų101.546%0.45553%0.528SS..Hα-helixtrans-63.2-45.8177.1171.10000110.1T38 G39 V40 H44 V45 L46T38-V42 HydrophobicContact CG2-CG2 4.22Å; T38-V42 WeakPolarHBondContact O-CB 3.33Å; T38-V42 WeakPolarHBondContact O-CG2 3.08Å; T38-V42 PolarHBondContact O-N 3.44Å; G39-V42 PolarHBondContact O-N 2.98Å; V40-V42 PolarHBondContact O-N 2.99Å; V42-H44 VanDerWaalsContact C-N 3.33Å; V42-H44 PolarHBondContact O-N 2.88Å; V42-V45 PolarHBondContact O-N 3.43Å; V42-L46 HydrophobicContact CG1-CD1 3.86Å; V42-L46 HydrophobicContact CG1-CG 4.35Å; V42-L46 WeakPolarHBondContact O-CB 3.43Å; V42-L46 WeakPolarHBondContact O-CG 3.48Å; V42-L46 PolarHBondContact O-N 3.24Å
43C84.8Confident86.3Confident65 Ų6597.7 Ų97.744%0.43952%0.517SS..Hα-helixtrans-58-44.1174.6-70.50000111.9G39 V40 L46 K47G39-C43 WeakPolarHBondContact O-CB 3.4Å; G39-C43 PolarHBondContact O-N 3.26Å; G39-C43 PolarHBondContact O-SG 2.92Å; V40-C43 PolarHBondContact O-N 3.25Å; C43-L46 PolarHBondContact O-N 3.25Å; C43-K47 WeakPolarHBondContact O-CB 3.34Å; C43-K47 PolarHBondContact O-N 3.07Å
44H86.5Confident84.1Confident88 Ų8896.7 Ų96.741%0.40752%0.522SS..Hα-helixtrans-67.9-37.5179.7178.1-109.9000113.2V40 V41 V42 K47 K48V40-H44 WeakPolarHBondContact O-CB 3.47Å; V40-H44 PolarHBondContact O-N 2.84Å; V41-H44 PolarHBondContact O-N 3.3Å; V42-H44 VanDerWaalsContact C-N 3.33Å; V42-H44 PolarHBondContact O-N 2.88Å; H44-K47 PolarHBondContact O-N 2.97Å; H44-K48 WeakPolarHBondContact CE1-CE 3.34Å; H44-K48 PolarHBondContact CE1-NZ 3.24Å; H44-K48 WeakPolarHBondContact NE2-CE 3.38Å; H44-K48 PolarHBondContact NE2-NZ 3.35Å; H44-K48 WeakPolarHBondContact O-CB 3.24Å; H44-K48 WeakPolarHBondContact O-CG 3.14Å; H44-K48 PolarHBondContact O-N 3.05Å
45V90.2Very high81.7Confident74 Ų7498.8 Ų98.845%0.44854%0.535SS..Hα-helixtrans-66.6-40.3173.1172.50000110.6V41 V42 K48 R49V41-V45 HydrophobicContact CG1-CG2 4.47Å; V41-V45 WeakPolarHBondContact O-CG2 3.48Å; V41-V45 PolarHBondContact O-N 3.08Å; V42-V45 PolarHBondContact O-N 3.43Å; V45-K48 PolarHBondContact O-N 3.42Å; V45-R49 HydrophobicContact CG1-CG 4.4Å; V45-R49 WeakPolarHBondContact O-CB 3.47Å; V45-R49 WeakPolarHBondContact O-CG 3.19Å; V45-R49 PolarHBondContact O-N 2.85Å; V45-R49 VanDerWaalsContact O-N 3.12Å
46L85.8Confident79.2Confident61 Ų6198.4 Ų98.432%0.31954%0.543SS..Hα-helixtrans-65.2-41.7175.3-67.5174.1000111.2V42 C43 R49 G50 Y51 V53V42-L46 HydrophobicContact CG1-CD1 3.86Å; V42-L46 HydrophobicContact CG1-CG 4.35Å; V42-L46 WeakPolarHBondContact O-CB 3.43Å; V42-L46 WeakPolarHBondContact O-CG 3.48Å; V42-L46 PolarHBondContact O-N 3.24Å; C43-L46 PolarHBondContact O-N 3.25Å; L46-R49 PolarHBondContact O-N 3.3Å; L46-G50 PolarHBondContact O-N 2.85Å; L46-Y51 HydrophobicContact CB-CD2 4.49Å; L46-Y51 HydrophobicContact CD2-CD2 3.75Å; L46-Y51 HydrophobicContact CD2-CE2 4.32Å; L46-Y51 HydrophobicContact CD2-CG 4.12Å; L46-Y51 WeakPolarHBondContact O-CB 3.41Å; L46-Y51 PolarHBondContact O-N 2.89Å; L46-V53 HydrophobicContact CB-CG2 4.09Å; L46-V53 HydrophobicContact CD1-CG2 4.24Å
47K82.2Confident76.7Confident118 Ų118105.3 Ų105.351%0.51357%0.566SS.*Hα-helixtrans-58.1-52.4173.4-171.8169.3101150.10111.3C43 H44 R49 G50 E67C43-K47 WeakPolarHBondContact O-CB 3.34Å; C43-K47 PolarHBondContact O-N 3.07Å; H44-K47 PolarHBondContact O-N 2.97Å; K47-R49 PolarHBondContact O-N 3.34Å; K47-G50 PolarHBondContact O-N 3.5Å; K47-G50 VanDerWaalsContact O-N 3.11Å; K47-E67 IonicContact NZ-OE1 3.73Å; K47-E67 PolarHBondContact NZ-OE1 3.34Å; K47-E67 IonicContact NZ-OE2 2.62Å
48K83.2Confident73.8Confident156 Ų156109.8 Ų109.868%0.67859%0.585SS**Hα-helixtrans-63.9-21.3179.2-79.3-171.71691760114.5H44 V45H44-K48 WeakPolarHBondContact CE1-CE 3.34Å; H44-K48 PolarHBondContact CE1-NZ 3.24Å; H44-K48 WeakPolarHBondContact NE2-CE 3.38Å; H44-K48 PolarHBondContact NE2-NZ 3.35Å; H44-K48 WeakPolarHBondContact O-CB 3.24Å; H44-K48 WeakPolarHBondContact O-CG 3.14Å; H44-K48 PolarHBondContact O-N 3.05Å; V45-K48 PolarHBondContact O-N 3.42Å
49R81.1Confident71.6Confident193 Ų193114.1 Ų114.173%0.72861%0.605SS**THydrogen-bonded Turntrans-94.33.6179.6-68.3-74.9-173.4148.22.3113.1V45 L46 K47 Y51V45-R49 HydrophobicContact CG1-CG 4.4Å; V45-R49 WeakPolarHBondContact O-CB 3.47Å; V45-R49 WeakPolarHBondContact O-CG 3.19Å; V45-R49 PolarHBondContact O-N 2.85Å; V45-R49 VanDerWaalsContact O-N 3.12Å; L46-R49 PolarHBondContact O-N 3.3Å; K47-R49 PolarHBondContact O-N 3.34Å; R49-Y51 VanDerWaalsContact C-N 3.32Å; R49-Y51 HydrophobicContact CB-CD2 3.49Å; R49-Y51 VanDerWaalsContact CB-CD2 3.49Å; R49-Y51 HydrophobicContact CB-CE2 3.49Å; R49-Y51 VanDerWaalsContact CB-CE2 3.49Å; R49-Y51 HydrophobicContact CG-CE2 4.36Å
50G76.9Confident69.1Low68 Ų68118 Ų11870%0.70162%0.619SS**THydrogen-bonded Turntrans76.318.4-18000000113.7L46 K47L46-G50 PolarHBondContact O-N 2.85Å; K47-G50 PolarHBondContact O-N 3.5Å; K47-G50 VanDerWaalsContact O-N 3.11Å
51Y75.5Confident66.9Low149 Ų149116.9 Ų116.958%0.58462%0.623SS**  trans-82.1119.7170.8-63.4-79.7000109.1L46 R49 V53L46-Y51 HydrophobicContact CB-CD2 4.49Å; L46-Y51 HydrophobicContact CD2-CD2 3.75Å; L46-Y51 HydrophobicContact CD2-CE2 4.32Å; L46-Y51 HydrophobicContact CD2-CG 4.12Å; L46-Y51 WeakPolarHBondContact O-CB 3.41Å; L46-Y51 PolarHBondContact O-N 2.89Å; R49-Y51 VanDerWaalsContact C-N 3.32Å; R49-Y51 HydrophobicContact CB-CD2 3.49Å; R49-Y51 VanDerWaalsContact CB-CD2 3.49Å; R49-Y51 HydrophobicContact CB-CE2 3.49Å; R49-Y51 VanDerWaalsContact CB-CE2 3.49Å; R49-Y51 HydrophobicContact CG-CE2 4.36Å; Y51-V53 PolarHBondContact O-N 3.43Å
52R66.8Low64.9Low215 Ų215122.7 Ų122.781%0.81164%0.636SS**  trans-76.1109168.1-71.5176.664.2-157.20.8108.4T54R52-T54 VanDerWaalsContact C-N 3.26Å; R52-T54 HydrophobicContact CB-CG2 4.28Å; R52-T54 PolarHBondContact O-N 3.12Å
53V62.5Low63Low81 Ų81126.2 Ų126.249%0.49165%0.652SS.*  trans-74.683.8173-177.90000107.7L46 Y51 T55L46-V53 HydrophobicContact CB-CG2 4.09Å; L46-V53 HydrophobicContact CD1-CG2 4.24Å; Y51-V53 PolarHBondContact O-N 3.43Å; V53-T55 HydrophobicContact CG1-CG2 4.36Å; V53-T55 PolarHBondContact O-N 2.97Å
54T50.3Low61.2Low106 Ų106129 Ų12965%0.6566%0.663SS**  trans-87.284.2172.560.40000108.5R52 A56R52-T54 VanDerWaalsContact C-N 3.26Å; R52-T54 HydrophobicContact CB-CG2 4.28Å; R52-T54 PolarHBondContact O-N 3.12Å; T54-A56 PolarHBondContact O-N 3.11Å
55T45.5Very low59.4Low123 Ų123129.8 Ų129.876%0.75567%0.674SS**  trans-66.6111.7160.141.50000106.7V53 Q57V53-T55 HydrophobicContact CG1-CG2 4.36Å; V53-T55 PolarHBondContact O-N 2.97Å; T55-Q57 PolarHBondContact O-N 3.39Å; T55-Q57 VanDerWaalsContact O-N 3.08Å
56A41.8Very low57.4Low96 Ų96134.3 Ų134.379%0.79369%0.688SS**SBendtrans-61116.8-172.600000110.6T54T54-A56 PolarHBondContact O-N 3.11Å
57Q41Very low55.6Low176 Ų176135.3 Ų135.382%0.82269%0.691SS**SBendtrans70.177.8157-165.5178.8-6.400115.2T55T55-Q57 PolarHBondContact O-N 3.39Å; T55-Q57 VanDerWaalsContact O-N 3.08Å
58E36Very low53.7Low181 Ų181137.1 Ų137.185%0.84670%0.701SS**  trans-164.785.8137.3-97.7157.9-132.900104.7D60E58-D60 VanDerWaalsContact C-N 3.31Å; E58-D60 PolarHBondContact O-N 3.17Å
59D46.3Very low51.9Low168 Ų168134 Ų13490%0.89870%0.704SS**  trans-77.788.8161.1175.831.3000106.4
60D41.5Very low50.2Low116 Ų116133.3 Ų133.362%0.6271%0.709SS**SBendtrans-168.397.2151.952.2-8000111.9E58E58-D60 VanDerWaalsContact C-N 3.31Å; E58-D60 PolarHBondContact O-N 3.17Å
61G46.3Very low48.5Very low55 Ų55137 Ų13757%0.56771%0.708SS**SBendtrans96.111.5138.300000119.8
62Y49.5Very low46.9Very low212 Ų212134.8 Ų134.883%0.83172%0.721SS**SBendtrans-112.2-16.2176.2-73.9-85.6000115.5
63D49.3Very low45.8Very low149 Ų149133.6 Ų133.680%0.79772%0.724SS**SBendtrans-82-25.2180-15430.3000112.3
64D47.8Very low44.7Very low125 Ų125138.5 Ų138.567%0.66873%0.734SS**Hα-helixtrans-81.3-28.6-178.1-161.337.1000113F66D64-F66 VanDerWaalsContact C-N 3.26Å; D64-F66 PolarHBondContact O-N 3.25Å
65V48.1Very low43.8Very low104 Ų104142.7 Ų142.763%0.6374%0.738SS**Hα-helixtrans-72.5-19.1-174.7-175.40000112.6
66F47.5Very low43.9Very low169 Ų169146 Ų14674%0.74175%0.745SS**Hα-helixtrans-98.8-21.6-178.2-135-91.1000113.7D64D64-F66 VanDerWaalsContact C-N 3.26Å; D64-F66 PolarHBondContact O-N 3.25Å
67E48.6Very low44.2Very low82 Ų82146 Ų14638%0.38374%0.737SS.*Hα-helixtrans-82.8-29.1177.5-65-110.9140.700111.7K47 A69 E70 E71K47-E67 IonicContact NZ-OE1 3.73Å; K47-E67 PolarHBondContact NZ-OE1 3.34Å; K47-E67 IonicContact NZ-OE2 2.62Å; E67-A69 PolarHBondContact O-N 2.96Å; E67-A69 VanDerWaalsContact O-N 3.16Å; E67-E70 PolarHBondContact O-N 3.45Å; E67-E71 PolarHBondContact O-N 3.2Å
68E43.2Very low44Very low156 Ų156145.3 Ų145.373%0.72973%0.733SS**THydrogen-bonded Turntrans-65.4-21.4-178.7-159.6179.1-171.700113.9
69A45.3Very low44.3Very low89 Ų89145.2 Ų145.274%0.73673%0.733SS**THydrogen-bonded Turntrans-84.9-22.1-176.200000114.9E67E67-A69 PolarHBondContact O-N 2.96Å; E67-A69 VanDerWaalsContact O-N 3.16Å
70E44.8Very low44.2Very low180 Ų180143.1 Ų143.184%0.84173%0.726SS**THydrogen-bonded Turntrans-107.1-15.6179.3-98.1-139.3146.300114.1E67 A72E67-E70 PolarHBondContact O-N 3.45Å; E70-A72 PolarHBondContact O-N 2.89Å
71E40.9Very low44.7Very low146 Ų146145.4 Ų145.468%0.68274%0.735SS**THydrogen-bonded Turntrans-83.9-3.4-174-74.1-152.1147.500115.7E67 E73E67-E71 PolarHBondContact O-N 3.2Å; E71-E73 VanDerWaalsContact C-N 3.28Å; E71-E73 PolarHBondContact O-N 2.62Å
72A41.3Very low45.1Very low102 Ų102146.1 Ų146.184%0.84373%0.726SS**THydrogen-bonded Turntrans-72.2-12.7-178.300000115.1E70E70-A72 PolarHBondContact O-N 2.89Å
73E43.8Very low45.5Very low190 Ų190143 Ų14389%0.88872%0.719SS**SBendtrans-118.5-12.9-169.7-159.2175.2153.700116E71E71-E73 VanDerWaalsContact C-N 3.28Å; E71-E73 PolarHBondContact O-N 2.62Å
74R40.8Very low45.8Very low183 Ų183141 Ų14169%0.69171%0.708SS**SBendtrans-150.890.1-169.3-153.6169.9-176.6-93.67116.4
75R31.6Very low46.6Very low194 Ų194139.9 Ų139.973%0.73270%0.702SS**  trans76.1120.2151-63.3176.4176.8171.7-3.2116.2
76E46.1Very low48Very low193 Ų193140.4 Ų140.490%0.90270%0.701SS**  trans-38.9123.9135.2-73-173166.300108.5
77P49.1Very low49.7Very low97 Ų97136.3 Ų136.363%0.6369%0.691SS**  -156.7179.484.231.1-7.1000114.4
78H37.4Very low51.7Low160 Ų160136.1 Ų136.174%0.74170%0.695SS**  trans91.475.5168-60.1-75.8000115.2T80H78-T80 PolarHBondContact O-N 2.87Å
79E42.1Very low53.8Low179 Ų179130.4 Ų130.484%0.83668%0.677SS**  0.785.6111.6-64.1-72.8141.600111.4M81E79-M81 VanDerWaalsContact C-N 3.32Å; E79-M81 PolarHBondContact O-N 3.48Å
80T43.7Very low55.7Low124 Ų124132 Ų13276%0.76167%0.669SS**  trans-55.2106.3162.145.70000105H78 N82H78-T80 PolarHBondContact O-N 2.87Å; T80-N82 VanDerWaalsContact C-N 3.31Å; T80-N82 PolarHBondContact O-N 3.46Å
81M52.8Low57.8Low164 Ų164127.7 Ų127.781%0.80865%0.651SS**  trans-44.1101.5175.1-77.9-163.990.500108.3E79 E83E79-M81 VanDerWaalsContact C-N 3.32Å; E79-M81 PolarHBondContact O-N 3.48Å; M81-E83 VanDerWaalsContact C-N 3.25Å; M81-E83 PolarHBondContact O-N 3.43Å
82N52.8Low60.2Low70 Ų70125.3 Ų125.337%0.37464%0.642SS.*  trans-7591.5173.6177.630.4000104.7T80 N84 D85T80-N82 VanDerWaalsContact C-N 3.31Å; T80-N82 PolarHBondContact O-N 3.46Å; N82-N84 PolarHBondContact O-N 3.12Å; N82-N84 WeakPolarHBondContact OD1-CB 3.34Å; N82-N84 VanDerWaalsContact OD1-CG 3.32Å; N82-N84 PolarHBondContact OD1-N 3.38Å; N82-D85 HydrophobicContact CB-CB 4.46Å; N82-D85 VanDerWaalsContact CB-OD2 3.29Å; N82-D85 WeakPolarHBondContact CB-OD2 3.42Å; N82-D85 PolarHBondContact ND2-N 2.78Å; N82-D85 PolarHBondContact ND2-OD1 3.49Å; N82-D85 PolarHBondContact ND2-OD2 3.3Å; N82-D85 WeakPolarHBondContact O-CB 3.39Å; N82-D85 PolarHBondContact O-N 3.44Å
83E58.1Low62.3Low148 Ų148126 Ų12669%0.69263%0.628SS**Hα-helixtrans-55-13.4175-142.7130.6-177.900111.9M81 T87M81-E83 VanDerWaalsContact C-N 3.25Å; M81-E83 PolarHBondContact O-N 3.43Å; E83-T87 PolarHBondContact O-N 2.91Å; E83-T87 PolarHBondContact O-OG1 2.7Å
84N57Low64.3Low105 Ų105120.4 Ų120.456%0.56161%0.609SS**Hα-helixtrans-80.2-25.8174.6-45.418.1000112.6N82 D86 T87 V88N82-N84 PolarHBondContact O-N 3.12Å; N82-N84 WeakPolarHBondContact OD1-CB 3.34Å; N82-N84 VanDerWaalsContact OD1-CG 3.32Å; N82-N84 PolarHBondContact OD1-N 3.38Å; N84-D86 VanDerWaalsContact C-N 3.29Å; N84-T87 PolarHBondContact O-N 3.31Å; N84-V88 WeakPolarHBondContact O-CG2 3.5Å; N84-V88 PolarHBondContact O-N 3.46Å
85D63.6Low66.6Low102 Ų102116.3 Ų116.355%0.54560%0.6SS.*Hα-helixtrans-65.7-36.8173.7-76.4-33.1000110.8N82 T87 G89N82-D85 HydrophobicContact CB-CB 4.46Å; N82-D85 VanDerWaalsContact CB-OD2 3.29Å; N82-D85 WeakPolarHBondContact CB-OD2 3.42Å; N82-D85 PolarHBondContact ND2-N 2.78Å; N82-D85 PolarHBondContact ND2-OD1 3.49Å; N82-D85 PolarHBondContact ND2-OD2 3.3Å; N82-D85 WeakPolarHBondContact O-CB 3.39Å; N82-D85 PolarHBondContact O-N 3.44Å; D85-T87 VanDerWaalsContact C-N 3.34Å; D85-G89 PolarHBondContact O-N 3.36Å
86D77.9Confident69.2Low115 Ų115113.8 Ų113.862%0.61560%0.598SS**Hα-helixtrans-67.3-36.1172.8-79.5-14.3000111.7N84 H90N84-D86 VanDerWaalsContact C-N 3.29Å; D86-H90 VanDerWaalsContact O-CB 3.26Å; D86-H90 WeakPolarHBondContact O-CB 3.36Å; D86-H90 PolarHBondContact O-N 2.88Å
87T83.5Confident71.2Confident84 Ų84113.2 Ų113.252%0.51559%0.593SS.*Hα-helixtrans-71-45.1178.4-58.10000111.5E83 N84 D85 H90 I91E83-T87 PolarHBondContact O-N 2.91Å; E83-T87 PolarHBondContact O-OG1 2.7Å; N84-T87 PolarHBondContact O-N 3.31Å; D85-T87 VanDerWaalsContact C-N 3.34Å; T87-H90 PolarHBondContact O-N 2.88Å; T87-I91 HydrophobicContact CG2-CD1 4.02Å; T87-I91 WeakPolarHBondContact O-CD1 3.44Å; T87-I91 VanDerWaalsContact O-CG1 3.24Å; T87-I91 WeakPolarHBondContact O-CG1 3.26Å; T87-I91 PolarHBondContact O-N 3.32Å
88V89.8Confident73Confident78 Ų78112 Ų11247%0.47358%0.581SS.*Hα-helixtrans-64.8-44.6176.2173.40000110.2N84 H90 I91 I92N84-V88 WeakPolarHBondContact O-CG2 3.5Å; N84-V88 PolarHBondContact O-N 3.46Å; V88-H90 VanDerWaalsContact C-N 3.32Å; V88-H90 PolarHBondContact O-N 3.34Å; V88-I91 PolarHBondContact O-N 3.41Å; V88-I92 HydrophobicContact CG1-CD1 3.75Å; V88-I92 HydrophobicContact CG1-CG1 4.34Å; V88-I92 VanDerWaalsContact O-CG1 3.29Å; V88-I92 WeakPolarHBondContact O-CG1 2.91Å; V88-I92 PolarHBondContact O-N 2.86Å
89G88.3Confident75.3Confident35 Ų35112.2 Ų112.236%0.36158%0.582SS.*Hα-helixtrans-58-43.1174.700000112.5D85 I92 Q93D85-G89 PolarHBondContact O-N 3.36Å; G89-I92 PolarHBondContact O-N 3.31Å; G89-Q93 WeakPolarHBondContact O-CB 3.45Å; G89-Q93 PolarHBondContact O-N 2.93Å
90H84.1Confident77.5Confident122 Ų122106.7 Ų106.757%0.56557%0.568SS**Hα-helixtrans-66.2-38.1176.2-158.974.2000112.7D86 T87 V88 Q93 C94D86-H90 VanDerWaalsContact O-CB 3.26Å; D86-H90 WeakPolarHBondContact O-CB 3.36Å; D86-H90 PolarHBondContact O-N 2.88Å; T87-H90 PolarHBondContact O-N 2.88Å; V88-H90 VanDerWaalsContact C-N 3.32Å; V88-H90 PolarHBondContact O-N 3.34Å; H90-Q93 PolarHBondContact O-N 2.79Å; H90-C94 WeakPolarHBondContact O-CB 3.2Å; H90-C94 PolarHBondContact O-N 3.27Å; H90-C94 PolarHBondContact O-SG 2.92Å
91I89.9Confident79.5Confident91 Ų91104.2 Ų104.247%0.46755%0.55SS..Hα-helixtrans-65.4-47.3175.1-68.7163.3000110.5T87 V88 Q93 C94 I95T87-I91 HydrophobicContact CG2-CD1 4.02Å; T87-I91 WeakPolarHBondContact O-CD1 3.44Å; T87-I91 VanDerWaalsContact O-CG1 3.24Å; T87-I91 WeakPolarHBondContact O-CG1 3.26Å; T87-I91 PolarHBondContact O-N 3.32Å; V88-I91 PolarHBondContact O-N 3.41Å; I91-Q93 VanDerWaalsContact C-N 3.31Å; I91-Q93 PolarHBondContact O-N 2.96Å; I91-C94 WeakPolarHBondContact O-CB 3.3Å; I91-C94 PolarHBondContact O-N 3.27Å; I91-C94 VanDerWaalsContact O-N 3.15Å; I91-I95 HydrophobicContact CG2-CD1 3.65Å; I91-I95 HydrophobicContact CG2-CG1 4.28Å; I91-I95 VanDerWaalsContact O-CG1 3.25Å; I91-I95 WeakPolarHBondContact O-CG1 3.38Å; I91-I95 PolarHBondContact O-N 2.58Å
92I91.4Very high81Confident96 Ų9699.2 Ų99.249%0.49253%0.531SS..Hα-helixtrans-58-46177-67.7166.6000110.2V88 G89 C94 I95 M96V88-I92 HydrophobicContact CG1-CD1 3.75Å; V88-I92 HydrophobicContact CG1-CG1 4.34Å; V88-I92 VanDerWaalsContact O-CG1 3.29Å; V88-I92 WeakPolarHBondContact O-CG1 2.91Å; V88-I92 PolarHBondContact O-N 2.86Å; G89-I92 PolarHBondContact O-N 3.31Å; I92-C94 PolarHBondContact O-N 2.92Å; I92-I95 PolarHBondContact O-N 3.24Å; I92-M96 WeakPolarHBondContact O-CB 3.35Å; I92-M96 PolarHBondContact O-N 3.04Å
93Q84.8Confident82.7Confident117 Ų117100.9 Ų100.955%0.54754%0.54SS..Hα-helixtrans-63.7-39.9177.4-165.5176.530.100112G89 H90 I91 K97G89-Q93 WeakPolarHBondContact O-CB 3.45Å; G89-Q93 PolarHBondContact O-N 2.93Å; H90-Q93 PolarHBondContact O-N 2.79Å; I91-Q93 VanDerWaalsContact C-N 3.31Å; I91-Q93 PolarHBondContact O-N 2.96Å; Q93-K97 VanDerWaalsContact O-CB 3.23Å; Q93-K97 WeakPolarHBondContact O-CB 3.46Å; Q93-K97 PolarHBondContact O-N 3.16Å
94C85.3Confident84.1Confident72 Ų7296.4 Ų96.449%0.48653%0.528SS..Hα-helixtrans-64.3-39.9174.3-71.90000112.6H90 I91 I92 N98H90-C94 WeakPolarHBondContact O-CB 3.2Å; H90-C94 PolarHBondContact O-N 3.27Å; H90-C94 PolarHBondContact O-SG 2.92Å; I91-C94 WeakPolarHBondContact O-CB 3.3Å; I91-C94 PolarHBondContact O-N 3.27Å; I91-C94 VanDerWaalsContact O-N 3.15Å; I92-C94 PolarHBondContact O-N 2.92Å; C94-N98 PolarHBondContact O-N 3.13Å
95I89.1Confident85.5Confident96 Ų9696.6 Ų96.649%0.49253%0.528SS..Hα-helixtrans-66.5-45.7178.2-68.9166.4000110.2I91 I92 N98 N101I91-I95 HydrophobicContact CG2-CD1 3.65Å; I91-I95 HydrophobicContact CG2-CG1 4.28Å; I91-I95 VanDerWaalsContact O-CG1 3.25Å; I91-I95 WeakPolarHBondContact O-CG1 3.38Å; I91-I95 PolarHBondContact O-N 2.58Å; I92-I95 PolarHBondContact O-N 3.24Å; I95-N98 PolarHBondContact O-N 3.38Å; I95-N101 PolarHBondContact O-ND2 2.88Å
96M87.5Confident86.3Confident142 Ų14295.6 Ų95.670%0.752%0.523SS*.Hα-helixtrans-72.2-29.4-177.6-173.1168.556.700113I92 N98I92-M96 WeakPolarHBondContact O-CB 3.35Å; I92-M96 PolarHBondContact O-N 3.04Å; M96-N98 VanDerWaalsContact C-N 3.28Å; M96-N98 PolarHBondContact O-N 2.66Å
97K87.1Confident86.5Confident180 Ų18092.1 Ų92.178%0.78351%0.51SS*.THydrogen-bonded Turntrans-81.6-4.5177.6-151.9174.286.9122.80113.6Q93 E99Q93-K97 VanDerWaalsContact O-CB 3.23Å; Q93-K97 WeakPolarHBondContact O-CB 3.46Å; Q93-K97 PolarHBondContact O-N 3.16Å; K97-E99 PolarHBondContact O-N 2.97Å
98N87.2Confident86.2Confident73 Ų7394.1 Ų94.139%0.3952%0.515SS..  trans-80.8111175.1-176.3-28.5000109.5C94 I95 M96 A100 N101 S102C94-N98 PolarHBondContact O-N 3.13Å; I95-N98 PolarHBondContact O-N 3.38Å; M96-N98 VanDerWaalsContact C-N 3.28Å; M96-N98 PolarHBondContact O-N 2.66Å; N98-A100 VanDerWaalsContact C-N 3.26Å; N98-A100 PolarHBondContact O-N 3.03Å; N98-A100 WeakPolarHBondContact OD1-CB 3.39Å; N98-A100 PolarHBondContact OD1-N 3.41Å; N98-N101 HydrophobicContact CB-CB 4.08Å; N98-N101 WeakPolarHBondContact O-CB 3.34Å; N98-N101 PolarHBondContact O-N 2.9Å; N98-N101 PolarHBondContact OD1-N 3.24Å; N98-S102 PolarHBondContact O-N 3.15Å; N98-S102 VanDerWaalsContact O-N 3.08Å
99E85.7Confident85.3Confident163 Ų16394.3 Ų94.376%0.76252%0.516SS*.Hα-helixtrans-56.7-37.6-177.6-171.9176.6176.600112.8K97 N101 S102 D103K97-E99 PolarHBondContact O-N 2.97Å; E99-N101 VanDerWaalsContact C-N 3.32Å; E99-N101 PolarHBondContact O-N 3.1Å; E99-S102 WeakPolarHBondContact CA-OG 3.24Å; E99-S102 PolarHBondContact O-N 3.37Å; E99-S102 PolarHBondContact O-OG 3.32Å; E99-D103 WeakPolarHBondContact O-CB 3.49Å; E99-D103 PolarHBondContact O-N 3.43Å
100A87.8Confident84.1Confident64 Ų6497.2 Ų97.253%0.52952%0.52SS..Hα-helixtrans-68.1-32.1177.100000112.4N98 A104N98-A100 VanDerWaalsContact C-N 3.26Å; N98-A100 PolarHBondContact O-N 3.03Å; N98-A100 WeakPolarHBondContact OD1-CB 3.39Å; N98-A100 PolarHBondContact OD1-N 3.41Å; A100-A104 VanDerWaalsContact O-CB 3.24Å; A100-A104 WeakPolarHBondContact O-CB 3.37Å; A100-A104 PolarHBondContact O-N 3.25Å
101N86.1Confident82.9Confident72 Ų7298.7 Ų98.739%0.38553%0.527SS..Hα-helixtrans-71.3-41.1174.1-68.6-10.4000111.1I95 N98 E99 L105I95-N101 PolarHBondContact O-ND2 2.88Å; N98-N101 HydrophobicContact CB-CB 4.08Å; N98-N101 WeakPolarHBondContact O-CB 3.34Å; N98-N101 PolarHBondContact O-N 2.9Å; N98-N101 PolarHBondContact OD1-N 3.24Å; E99-N101 VanDerWaalsContact C-N 3.32Å; E99-N101 PolarHBondContact O-N 3.1Å; N101-L105 WeakPolarHBondContact O-CB 3.44Å; N101-L105 PolarHBondContact O-N 3.1Å
102S84.8Confident81.3Confident59 Ų5999.8 Ų99.841%0.41354%0.539SS..Hα-helixtrans-67.1-37.2176.453.20000112.4N98 E99 N106N98-S102 PolarHBondContact O-N 3.15Å; N98-S102 VanDerWaalsContact O-N 3.08Å; E99-S102 WeakPolarHBondContact CA-OG 3.24Å; E99-S102 PolarHBondContact O-N 3.37Å; E99-S102 PolarHBondContact O-OG 3.32Å; S102-N106 VanDerWaalsContact O-CB 3.29Å; S102-N106 WeakPolarHBondContact O-CB 3.43Å; S102-N106 PolarHBondContact O-N 3.1Å
103D88.8Confident79.5Confident105 Ų10599.9 Ų99.956%0.56155%0.547SS*.Hα-helixtrans-69.3-43.8176.9-173.344.7000111.6E99 L105 N106 A107E99-D103 WeakPolarHBondContact O-CB 3.49Å; E99-D103 PolarHBondContact O-N 3.43Å; D103-L105 VanDerWaalsContact C-N 3.34Å; D103-L105 PolarHBondContact O-N 3.28Å; D103-N106 WeakPolarHBondContact O-CB 3.38Å; D103-N106 PolarHBondContact O-N 3.19Å; D103-A107 WeakPolarHBondContact O-CB 3.38Å; D103-A107 PolarHBondContact O-N 3.46Å
104A86.9Confident78Confident53 Ų53100.4 Ų100.444%0.43855%0.553SS.*Hα-helixtrans-60.7-42.117400000112.4A100 A107 M108A100-A104 VanDerWaalsContact O-CB 3.24Å; A100-A104 WeakPolarHBondContact O-CB 3.37Å; A100-A104 PolarHBondContact O-N 3.25Å; A104-A107 PolarHBondContact O-N 2.95Å; A104-M108 WeakPolarHBondContact O-CG 3.48Å; A104-M108 PolarHBondContact O-N 2.88Å
105L85.6Confident76.3Confident109 Ų109104 Ų10457%0.57157%0.567SS**Hα-helixtrans-64.1-43.4176-174.863.6000111.3N101 D103 M108 V109N101-L105 WeakPolarHBondContact O-CB 3.44Å; N101-L105 PolarHBondContact O-N 3.1Å; D103-L105 VanDerWaalsContact C-N 3.34Å; D103-L105 PolarHBondContact O-N 3.28Å; L105-M108 PolarHBondContact O-N 2.95Å; L105-V109 WeakPolarHBondContact O-CG2 3.19Å; L105-V109 PolarHBondContact O-N 3.3Å; L105-V109 VanDerWaalsContact O-N 3.07Å
106N81.1Confident74.5Confident82 Ų82104.8 Ų104.844%0.43958%0.581SS.*Hα-helixtrans-61.3-46176.5-169.841.8000111S102 D103 M108 V109 H110S102-N106 VanDerWaalsContact O-CB 3.29Å; S102-N106 WeakPolarHBondContact O-CB 3.43Å; S102-N106 PolarHBondContact O-N 3.1Å; D103-N106 WeakPolarHBondContact O-CB 3.38Å; D103-N106 PolarHBondContact O-N 3.19Å; N106-M108 VanDerWaalsContact C-N 3.32Å; N106-M108 PolarHBondContact O-N 3.42Å; N106-V109 PolarHBondContact O-N 2.85Å; N106-H110 PolarHBondContact O-CD2 3.13Å; N106-H110 PolarHBondContact O-N 3.42Å; N106-H110 PolarHBondContact OD1-CD2 3.33Å; N106-H110 PolarHBondContact OD1-NE2 2.91Å
107A81Confident72.6Confident41 Ų41105 Ų10534%0.33959%0.585SS.*Hα-helixtrans-61.5-36.5177.900000113.1D103 A104 Q111D103-A107 WeakPolarHBondContact O-CB 3.38Å; D103-A107 PolarHBondContact O-N 3.46Å; A104-A107 PolarHBondContact O-N 2.95Å; A107-Q111 WeakPolarHBondContact O-CG 3.3Å; A107-Q111 PolarHBondContact O-N 2.81Å
108M77.5Confident70.8Confident126 Ų126104.7 Ų104.762%0.62159%0.59SS**Hα-helixtrans-68-41.3173.5-76.6175.442.900112.5A104 L105 N106 Q111 T112A104-M108 WeakPolarHBondContact O-CG 3.48Å; A104-M108 PolarHBondContact O-N 2.88Å; L105-M108 PolarHBondContact O-N 2.95Å; N106-M108 VanDerWaalsContact C-N 3.32Å; N106-M108 PolarHBondContact O-N 3.42Å; M108-Q111 PolarHBondContact O-N 2.91Å; M108-T112 PolarHBondContact O-N 3.15Å
109V72.3Confident69.1Low82 Ų82106.2 Ų106.250%0.49761%0.613SS.*Hα-helixtrans-63.9-42.7178.21730000110.9L105 N106 Q111 T112 S113L105-V109 WeakPolarHBondContact O-CG2 3.19Å; L105-V109 PolarHBondContact O-N 3.3Å; L105-V109 VanDerWaalsContact O-N 3.07Å; N106-V109 PolarHBondContact O-N 2.85Å; V109-Q111 VanDerWaalsContact C-N 3.31Å; V109-Q111 PolarHBondContact O-N 2.75Å; V109-T112 PolarHBondContact O-N 3.43Å; V109-T112 PolarHBondContact O-OG1 3.19Å; V109-S113 PolarHBondContact O-N 3.27Å
110H63Low66.9Low96 Ų96103.8 Ų103.844%0.44461%0.614SS.*Hα-helixtrans-64-32.5176.5-69.6-58.7000113.4N106 T112 S113 I114N106-H110 PolarHBondContact O-CD2 3.13Å; N106-H110 PolarHBondContact O-N 3.42Å; N106-H110 PolarHBondContact OD1-CD2 3.33Å; N106-H110 PolarHBondContact OD1-NE2 2.91Å; H110-T112 VanDerWaalsContact C-N 3.32Å; H110-T112 PolarHBondContact O-N 2.9Å; H110-S113 PolarHBondContact O-N 3.08Å; H110-I114 WeakPolarHBondContact O-CD1 3.28Å; H110-I114 WeakPolarHBondContact O-CG1 3.19Å
111Q57.9Low64.7Low153 Ų153105.9 Ų105.972%0.71562%0.624SS**Hα-helixtrans-73.6-20.5177.2-73.1-177.637.800113.8A107 M108 V109A107-Q111 WeakPolarHBondContact O-CG 3.3Å; A107-Q111 PolarHBondContact O-N 2.81Å; M108-Q111 PolarHBondContact O-N 2.91Å; V109-Q111 VanDerWaalsContact C-N 3.31Å; V109-Q111 PolarHBondContact O-N 2.75Å
112T56.5Low63.3Low115 Ų115108 Ų10871%0.70664%0.642SS**Hα-helixtrans-85.2-19.8173.7640000113.7M108 V109 H110M108-T112 PolarHBondContact O-N 3.15Å; V109-T112 PolarHBondContact O-N 3.43Å; V109-T112 PolarHBondContact O-OG1 3.19Å; H110-T112 VanDerWaalsContact C-N 3.32Å; H110-T112 PolarHBondContact O-N 2.9Å
113S53.4Low61.3Low97 Ų97111.2 Ų111.268%0.67866%0.662SS**Hα-helixtrans-93.4-9.3-177-173.10000114.1V109 H110V109-S113 PolarHBondContact O-N 3.27Å; H110-S113 PolarHBondContact O-N 3.08Å
114I53Low59.2Low128 Ų128114.2 Ų114.266%0.65668%0.677SS**SBendtrans-109.9-1-169-64.7171.2000113.4H110H110-I114 WeakPolarHBondContact O-CD1 3.28Å; H110-I114 WeakPolarHBondContact O-CG1 3.19Å
115D50.1Low57Low149 Ų149117.9 Ų117.980%0.79769%0.694SS**SBendtrans-118.535.2-176.9-150.725.4000114.7
116S50.8Low55.5Low111 Ų111118 Ų11878%0.77670%0.701SS**SBendtrans-1205.7170.4-70.60000115.4
117D47.4Very low53.3Low148 Ų148121 Ų12179%0.79172%0.722SS**  trans-135.895.8173.1-78.1-43.6000110.4
118I49.7Very low51.2Low173 Ų173124.1 Ų124.189%0.88774%0.741SS**  trans-168.291.9132-82.3141.9000106.5
119A50.8Low49.9Very low104 Ų104123.7 Ų123.786%0.8675%0.748SS**  trans-86.7118.9151.400000107.6
120S40.8Very low48.6Very low112 Ų112125.3 Ų125.378%0.78376%0.761SS**  trans-175.3108.7146.2-159.20000113.8
121S41.4Very low47.4Very low108 Ų108129.9 Ų129.976%0.75578%0.782SS**  trans66.1133.8140.7-141.40000123.1
122P55.7Low47Very low116 Ų116132.5 Ų132.575%0.75379%0.794SS**  trans-95.9144.517136.9-28.6000112.2
123P43.2Very low46.4Very low127 Ų127130.7 Ų130.783%0.82579%0.791SS**  trans-110.4142.4158.331-18000112
124L45.5Very low45.9Very low169 Ų169135.5 Ų135.589%0.88580%0.8SS**  trans-70.9144.1-171.8-61.7153.3000112.5
125T41.2Very low45.4Very low130 Ų130134.7 Ų134.780%0.79880%0.803SS**  trans-27.5173.5160.439.50000118.6
126P53.5Low45Very low111 Ų111132.1 Ų132.172%0.72180%0.796SS**  cis-141.3165.5333.6-11.9000116.5
127V34.4Very low44.6Very low144 Ų144135.6 Ų135.687%0.87380%0.798SS**  trans-173.3127.9140140.40000108.2
128S37.8Very low44.3Very low107 Ų107135.3 Ų135.375%0.74880%0.796SS**  trans-99.1-174.2-176.2-490000112
129P49.5Very low44.1Very low118 Ų118133.8 Ų133.877%0.76679%0.785SS**  -101.9-161.5-119.930.8-5.5000111.4
130P44.1Very low43.5Very low116 Ų116137.2 Ų137.275%0.75378%0.783SS**  cis-135.4158.86.141-22.4000115.9
131E37.9Very low43.8Very low192 Ų192139.2 Ų139.290%0.89778%0.78SS**  trans175.1121.1135.9-103.1-179.9161.300110.6A133E131-A133 PolarHBondContact O-N 3.27Å
132E50.4Low44.2Very low207 Ų207141.1 Ų141.197%0.96779%0.787SS**  trans-59.3108.5169.9-84.9167.7140.400111.1
133A42.8Very low44.1Very low78 Ų78142.9 Ų142.965%0.64579%0.789SS**  trans-154.192.4160.900000110.3E131E131-A133 PolarHBondContact O-N 3.27Å
134K42.8Very low44Very low198 Ų198140.6 Ų140.686%0.86179%0.788SS**  169.9134.3119.7-88.3153.1-171.7174.10112
135P43Very low43.9Very low111 Ų111137.5 Ų137.572%0.72178%0.78SS**  trans-82.6139.2-173.433.5-33000112.2
136S42.8Very low44.1Very low94 Ų94136.6 Ų136.666%0.65777%0.774SS**  32.7115.7126.1-1720000117.9N138S136-N138 PolarHBondContact O-N 3.43Å
137F42.6Very low43.4Very low185 Ų185138.1 Ų138.181%0.81178%0.777SS**  trans8.8101.7144.1-75.7-93.2000115.8H139F137-H139 VanDerWaalsContact C-N 3.35Å; F137-H139 PolarHBondContact O-N 2.83Å; F137-H139 VanDerWaalsContact O-N 3.1Å
138N40.9Very low44Very low141 Ų141136.1 Ų136.175%0.75478%0.775SS**  trans-80.381.6168.8-72.1-67.4000109.9S136S136-N138 PolarHBondContact O-N 3.43Å
139H44.1Very low44.1Very low141 Ų141136.9 Ų136.965%0.65377%0.771SS**  trans-91.992.6152.7-77.7-75000107.7F137 H141F137-H139 VanDerWaalsContact C-N 3.35Å; F137-H139 PolarHBondContact O-N 2.83Å; F137-H139 VanDerWaalsContact O-N 3.1Å; H139-H141 PolarHBondContact O-CD2 3.24Å; H139-H141 PolarHBondContact O-N 3.48Å; H139-H141 VanDerWaalsContact O-N 3.15Å
140Q39.7Very low44Very low176 Ų176138.8 Ų138.882%0.82277%0.77SS**  trans-72.8103.3173.5-70.3-177.1-16.200109.3
141H45.7Very low44.2Very low155 Ų155140.3 Ų140.372%0.71877%0.771SS**  trans-93119.7160.1-51.7-80000107.5H139 I143H139-H141 PolarHBondContact O-CD2 3.24Å; H139-H141 PolarHBondContact O-N 3.48Å; H139-H141 VanDerWaalsContact O-N 3.15Å; H141-I143 PolarHBondContact O-N 3.25Å; H141-I143 VanDerWaalsContact O-N 3.13Å
142T51.2Low44.5Very low148 Ų148139.8 Ų139.891%0.90877%0.766SS**  trans-60.2111.5172.1-61.90000109.7
143I52.1Low44.4Very low153 Ų153135.4 Ų135.479%0.78576%0.757SS**  trans-94.4123.2168.4-64.9-175.8000108.7H141H141-I143 PolarHBondContact O-N 3.25Å; H141-I143 VanDerWaalsContact O-N 3.13Å
144G42.6Very low44.6Very low78 Ų78137.7 Ų137.780%0.80477%0.765SS**  trans-127.891.7156.800000108.3
145S42.5Very low45.1Very low104 Ų104135.9 Ų135.973%0.72776%0.764SS**  trans-63.7148.3168.8175.20000110.4
146V44.8Very low45.2Very low111 Ų111136.3 Ų136.367%0.67377%0.765SS**  171.2137.4118.970.50000112.4
147N39.1Very low45.8Very low143 Ų143142 Ų14277%0.76578%0.778SS**  trans86.7114.5156.4-56.5-38000121
148A47.8Very low46Very low102 Ų102143.7 Ų143.784%0.84378%0.779SS**  trans-59.7132.4152.800000110.6
149D38.7Very low46.6Very low124 Ų124143.2 Ų143.266%0.66378%0.784SS**  -174.7144.4114-141.8-27.6000108.9N151D149-N151 PolarHBondContact O-N 3.45Å
150E48.9Very low46.4Very low157 Ų157142.2 Ų142.273%0.73479%0.792SS**  trans23.486.3160.560.8-172163.800120.4
151N48.2Very low46.7Very low148 Ų148142 Ų14279%0.79179%0.791SS**  trans-147.482.7139.618.671.9000108.5D149 C153D149-N151 PolarHBondContact O-N 3.45Å; N151-C153 PolarHBondContact O-N 2.84Å
152K43.5Very low47Very low182 Ų182146.5 Ų146.579%0.79180%0.802SS**  trans-2.9112.2139.1-60.3166-169.6-80.20110.4P154K152-P154 VanDerWaalsContact O-CD 3.23Å; K152-P154 WeakPolarHBondContact O-CD 2.99Å
153C48.8Very low46.6Very low114 Ų114148.9 Ų148.977%0.7780%0.8SS**  trans-40.7122.7147.4-67.90000105.6N151 L155N151-C153 PolarHBondContact O-N 2.84Å; C153-L155 PolarHBondContact O-N 2.82Å
154P47Very low46.2Very low126 Ų126146.8 Ų146.882%0.81880%0.799SS**  trans-63.591.8170.1-19.732.4000107K152 T156K152-P154 VanDerWaalsContact O-CD 3.23Å; K152-P154 WeakPolarHBondContact O-CD 2.99Å; P154-T156 VanDerWaalsContact C-N 3.32Å; P154-T156 PolarHBondContact O-N 3.34Å
155L53.3Low46.5Very low160 Ų160150.2 Ų150.284%0.83880%0.803SS**  trans-43.5109.3141.2-120.483.7000104.6C153C153-L155 PolarHBondContact O-N 2.82Å
156T45Very low46.6Very low120 Ų120153.4 Ų153.474%0.73680%0.8SS**  -146.9109125.649.20000108.1P154 R158P154-T156 VanDerWaalsContact C-N 3.32Å; P154-T156 PolarHBondContact O-N 3.34Å; T156-R158 PolarHBondContact O-N 2.91Å
157K55Low46.9Very low215 Ų215159.9 Ų159.994%0.93581%0.812SS**  trans-53.6117.7144.4-73.8178.8174.6177.60106.7
158R47.9Very low47.7Very low219 Ų219161.3 Ų161.383%0.82681%0.807SS**  trans-144.1130.1152.6-115.2-179.9-177.8165.11.4107.6T156 S160T156-R158 PolarHBondContact O-N 2.91Å; R158-S160 PolarHBondContact O-N 3.39Å
159P52.3Low47.8Very low132 Ų132162 Ų16286%0.85780%0.803SS**  trans-74.597.2-174.730.7-30.4000108Q161P159-Q161 PolarHBondContact O-N 2.94Å
160S41.3Very low48.8Very low119 Ų119158.7 Ų158.783%0.83279%0.789SS**  trans-91.6107.2-177.3-163.30000109.7R158 R162R158-S160 PolarHBondContact O-N 3.39Å; S160-R162 PolarHBondContact O-N 3.48Å
161Q45.2Very low49.6Very low171 Ų171156.3 Ų156.380%0.79978%0.778SS**  trans-47.6131.5174.4-72.3-173.8-10.300112.3P159 K163P159-Q161 PolarHBondContact O-N 2.94Å; Q161-K163 PolarHBondContact O-N 2.95Å
162R52.5Low50.7Low250 Ų250153.2 Ų153.294%0.94376%0.764SS**  trans-1.3102.1156-73.3178.5172.2179.2-3.1115.5S160S160-R162 PolarHBondContact O-N 3.48Å
163K43Very low51.9Low199 Ų199147 Ų14787%0.86574%0.741SS**  trans-149.2123.8154.7-61.2-179-177173.40105.6Q161Q161-K163 PolarHBondContact O-N 2.95Å
164S43.4Very low53.1Low109 Ų109145.8 Ų145.876%0.76273%0.731SS**  cis-155112.932.548.40000109.6R166S164-R166 PolarHBondContact O-N 2.94Å
165V48.7Very low54.3Low149 Ų149144.3 Ų144.390%0.90372%0.715SS**SBendtrans-63.2108.6156.4167.20000105.4R167V165-R167 PolarHBondContact O-N 3.36Å
166R44.1Very low55.5Low172 Ų172140.7 Ų140.765%0.64970%0.703SS**  trans5.8103.2156.5-168.6166.8-174.7-119.56.7113.2S164 R168S164-R166 PolarHBondContact O-N 2.94Å; R166-R168 VanDerWaalsContact C-N 3.33Å; R166-R168 VanDerWaalsContact NH1-NE 3.18Å; R166-R168 PolarHBondContact O-N 3.36Å
167R51Low57.1Low247 Ų247139.6 Ų139.693%0.93270%0.696SS**  trans-42.796.1164.8-67.8-102.9-141.2149.56.1109.3V165V165-R167 PolarHBondContact O-N 3.36Å
168R56.5Low58.3Low173 Ų173133.1 Ų133.165%0.65369%0.691SS**  trans-98.3126.7160.1-80.4-80.9167.3135.1-15.9105.6R166R166-R168 VanDerWaalsContact C-N 3.33Å; R166-R168 VanDerWaalsContact NH1-NE 3.18Å; R166-R168 PolarHBondContact O-N 3.36Å
169P49.9Very low59.8Low116 Ų116134.7 Ų134.775%0.75370%0.697SS**THydrogen-bonded Turntrans-70.6140.7-175.620.7-16.9000110.3
170S60Low59.7Low55 Ų55134.5 Ų134.539%0.38568%0.682SS.*THydrogen-bonded Turntrans79.636.4165.872.90000120.6D186S170-D186 PolarHBondContact O-N 3.06Å
171E65.3Low61.6Low107 Ų107136.4 Ų136.450%0.567%0.671SS.*EExtended strand (participates in β ladder)trans-101.8107.3162.8-171.2173.7-169.900110.2T183 K184 C185E171-T183 HydrophobicContact CG-CG2 4.07Å; E171-T183 WeakPolarHBondContact OE1-CB 3.39Å; E171-T183 PolarHBondContact OE1-OG1 3.4Å; E171-K184 WeakPolarHBondContact CA-O 3.23Å; E171-C185 VanDerWaalsContact CD-SG 3.53Å
172V71.3Confident62.9Low82 Ų82130.9 Ų130.950%0.49765%0.649SS.*EExtended strand (participates in β ladder)trans-92.5118.1178.5-178.90000108.4V174 K184V172-V174 HydrophobicContact CG1-CG1 4.26Å; V172-V174 PolarHBondContact O-N 2.85Å; V172-V174 VanDerWaalsContact O-N 3.13Å; V172-K184 PolarHBondContact N-O 3.37Å; V172-K184 VanDerWaalsContact N-O 3.12Å; V172-K184 PolarHBondContact O-N 2.96Å
173T68.4Low64.3Low51 Ų51121.5 Ų121.531%0.31362%0.62SS.*EExtended strand (participates in β ladder)trans-72105.2168.7-50.40000107.6R181 V182 T183T173-R181 PolarHBondContact OG1-NH2 2.65Å; T173-R181 VanDerWaalsContact OG1-NH2 3.1Å; T173-V182 CarbonylContact C-O 3.53Å; T173-V182 WeakPolarHBondContact CA-O 3.17Å; T173-V182 WeakPolarHBondContact CG2-O 3.49Å; T173-T183 HydrophobicContact CG2-CG2 4.2Å; T173-T183 WeakPolarHBondContact OG1-CG2 3.36Å
174V75Confident65.4Low90 Ų90117.6 Ų117.655%0.54560%0.603SS.*EExtended strand (participates in β ladder)trans-83.6-18.2-176.8-81.80000112.3V172 V182 K184V172-V174 HydrophobicContact CG1-CG1 4.26Å; V172-V174 PolarHBondContact O-N 2.85Å; V172-V174 VanDerWaalsContact O-N 3.13Å; V174-V182 HydrophobicContact CG2-CB 4.24Å; V174-V182 HydrophobicContact CG2-CG1 3.86Å; V174-V182 WeakPolarHBondContact CG2-O 3.17Å; V174-V182 PolarHBondContact N-O 3.18Å; V174-K184 HydrophobicContact CG1-CB 4.44Å; V174-K184 HydrophobicContact CG2-CB 4.41Å
175L71.6Confident66.1Low94 Ų94116.3 Ų116.349%0.49259%0.593SS.*EExtended strand (participates in β ladder)trans-155.7136.4172.9-169.269.1000111.3V177 V182L175-V177 HydrophobicContact CG-CG2 4.31Å; L175-V182 HydrophobicContact CB-CB 4.26Å; L175-V182 HydrophobicContact CB-CG2 4.34Å; L175-V182 PolarHBondContact N-O 3.38Å; L175-V182 PolarHBondContact O-N 3.15Å
176S78Confident66.2Low84 Ų84112.3 Ų112.359%0.58757%0.567SS**EExtended strand (participates in β ladder)trans-134.8118.817159.90000111.2F180S176-F180 WeakPolarHBondContact CA-O 3.23Å
177V77.9Confident66.7Low97 Ų97114.4 Ų114.459%0.58858%0.581SS**EExtended strand (participates in β ladder)trans-129.3105.6175.2-175.10000108.7L175 R179 F180L175-V177 HydrophobicContact CG-CG2 4.31Å; V177-R179 PolarHBondContact O-N 3.18Å; V177-R179 VanDerWaalsContact O-N 3.15Å; V177-F180 PolarHBondContact N-O 2.82Å; V177-F180 VanDerWaalsContact O-CB 3.3Å; V177-F180 WeakPolarHBondContact O-CB 3.46Å; V177-F180 PolarHBondContact O-N 3.02Å
178G80Confident66.9Low80 Ų80107.1 Ų107.183%0.82557%0.567SS**THydrogen-bonded Turntrans58.4-116.9-17700000112.2
179R80.1Confident66.7Low252 Ų252102.8 Ų102.895%0.95158%0.576SS**THydrogen-bonded Turntrans-86.9-7.9176.366-178179.4177.41.5114.1V177V177-R179 PolarHBondContact O-N 3.18Å; V177-R179 VanDerWaalsContact O-N 3.15Å
180F51.1Low66.4Low127 Ų127106.5 Ų106.556%0.55758%0.581SS**EExtended strand (participates in β ladder)trans-85.4123.3178.1-173-107.1000109.9S176 V177 V182S176-F180 WeakPolarHBondContact CA-O 3.23Å; V177-F180 PolarHBondContact N-O 2.82Å; V177-F180 VanDerWaalsContact O-CB 3.3Å; V177-F180 WeakPolarHBondContact O-CB 3.46Å; V177-F180 PolarHBondContact O-N 3.02Å; F180-V182 HydrophobicContact CD1-CG2 4.06Å; F180-V182 HydrophobicContact CE1-CG2 3.24Å; F180-V182 HydrophobicContact CZ-CG2 3.58Å
181R81.4Confident65.4Low159 Ų159111.8 Ų111.860%0.661%0.605SS**EExtended strand (participates in β ladder)trans-131.6123178.3-58.7-177.175.1-121.5-1.7108.5T173T173-R181 PolarHBondContact OG1-NH2 2.65Å; T173-R181 VanDerWaalsContact OG1-NH2 3.1Å
182V71.9Confident64.8Low55 Ų55118.5 Ų118.533%0.33363%0.626SS.*EExtended strand (participates in β ladder)trans-103.6117.7172.5-174.10000107.6T173 V174 L175 F180T173-V182 CarbonylContact C-O 3.53Å; T173-V182 WeakPolarHBondContact CA-O 3.17Å; T173-V182 WeakPolarHBondContact CG2-O 3.49Å; V174-V182 HydrophobicContact CG2-CB 4.24Å; V174-V182 HydrophobicContact CG2-CG1 3.86Å; V174-V182 WeakPolarHBondContact CG2-O 3.17Å; V174-V182 PolarHBondContact N-O 3.18Å; L175-V182 HydrophobicContact CB-CB 4.26Å; L175-V182 HydrophobicContact CB-CG2 4.34Å; L175-V182 PolarHBondContact N-O 3.38Å; L175-V182 PolarHBondContact O-N 3.15Å; F180-V182 HydrophobicContact CD1-CG2 4.06Å; F180-V182 HydrophobicContact CE1-CG2 3.24Å; F180-V182 HydrophobicContact CZ-CG2 3.58Å
183T81.4Confident63.1Low53 Ų53121.7 Ų121.733%0.32564%0.64SS.*EExtended strand (participates in β ladder)trans-114.8136.1177.551.60000110.7E171 T173E171-T183 HydrophobicContact CG-CG2 4.07Å; E171-T183 WeakPolarHBondContact OE1-CB 3.39Å; E171-T183 PolarHBondContact OE1-OG1 3.4Å; T173-T183 HydrophobicContact CG2-CG2 4.2Å; T173-T183 WeakPolarHBondContact OG1-CG2 3.36Å
184K66.9Low61.5Low117 Ų117125 Ų12551%0.50967%0.665SS.*EExtended strand (participates in β ladder)trans-102.4115.4172.4-169.3-148.1-179.2-156.40107.7E171 V172 V174 D186E171-K184 WeakPolarHBondContact CA-O 3.23Å; V172-K184 PolarHBondContact N-O 3.37Å; V172-K184 VanDerWaalsContact N-O 3.12Å; V172-K184 PolarHBondContact O-N 2.96Å; V174-K184 HydrophobicContact CG1-CB 4.44Å; V174-K184 HydrophobicContact CG2-CB 4.41Å; K184-D186 WeakPolarHBondContact CE-OD1 3.04Å; K184-D186 IonicContact NZ-OD1 2.7Å; K184-D186 PolarHBondContact NZ-OD1 3.22Å
185C58.3Low59.7Low83 Ų83130 Ų13056%0.56168%0.682SS**EExtended strand (participates in β ladder)trans-85.7118.5168.5-63.90000108.7E171 K187E171-C185 VanDerWaalsContact CD-SG 3.53Å; C185-K187 PolarHBondContact O-N 2.94Å
186D49.5Very low57.9Low65 Ų65128.7 Ų128.735%0.34869%0.691SS.*  trans-71.4119.9168.3-72.8-42.6000108.8S170 K184 S188S170-D186 PolarHBondContact O-N 3.06Å; K184-D186 WeakPolarHBondContact CE-OD1 3.04Å; K184-D186 IonicContact NZ-OD1 2.7Å; K184-D186 PolarHBondContact NZ-OD1 3.22Å; D186-S188 PolarHBondContact O-N 2.65Å
187K55.7Low56Low216 Ų216130.1 Ų130.194%0.93970%0.701SS**  trans-70.576.1169.6-76.2178.1175.91780108.7C185C185-K187 PolarHBondContact O-N 2.94Å
188S54.1Low54Low93 Ų93135.8 Ų135.865%0.6571%0.714SS**  trans-140.694.1166.663.30000109.3D186D186-S188 PolarHBondContact O-N 2.65Å
189G52.7Low52.1Low82 Ų82141.1 Ų141.185%0.84572%0.717SS**SBendtrans169.533.7176.400000117.2
190K43.4Very low50Low195 Ų195137.4 Ų137.485%0.84872%0.716SS**  trans-156.150.8162.2-162.5144.4165.7175.70114.1
191D39.6Very low49.5Very low165 Ų165135.5 Ų135.588%0.88272%0.723SS**  trans-125.269.2161.8-68.1-47.2000109.4
192R51.8Low47.3Very low249 Ų249134 Ų13494%0.9474%0.737SS**  trans-139.591.2159.2-65.4-168102.5163.84.9108.3
193N37.3Very low45.9Very low148 Ų148135.2 Ų135.279%0.79175%0.753SS**  trans141.590.1136.1-160.728.9000113
194S34.4Very low43.7Very low120 Ų120140.3 Ų140.384%0.83978%0.778SS**  trans-164.598.9139.4-92.60000108.4G196S194-G196 PolarHBondContact O-N 3.34Å
195E36.8Very low42.3Very low195 Ų195139.3 Ų139.391%0.91179%0.791SS**  trans-64.7115.9161.2-67.7178.4112.700108.3
196G33.3Very low41.7Very low67 Ų67140.6 Ų140.669%0.69180%0.801SS**  trans-134.891.6171.500000108.1S194 Y198S194-G196 PolarHBondContact O-N 3.34Å; G196-Y198 PolarHBondContact O-N 2.98Å
197S38.6Very low41.4Very low114 Ų114149.2 Ų149.280%0.79783%0.829SS**  trans-46.4121.5179.7161.90000115.1
198Y36.7Very low40.7Very low216 Ų216146.5 Ų146.585%0.84783%0.825SS**  -156.8103.8124.330.3-97.3000110.1G196G196-Y198 PolarHBondContact O-N 2.98Å
199Q38.8Very low40.1Very low192 Ų192147.5 Ų147.590%0.89783%0.832SS**  trans-71126.2152.7-76.2179.524.500107.8
200L36.3Very low39.6Very low175 Ų175153 Ų15392%0.91683%0.833SS**  trans-139.5113.2135.3-158.668.7000108.7
201A40.2Very low39.4Very low86 Ų86149.5 Ų149.571%0.71183%0.827SS**  trans-66.3143175.300000111.4
202S35.1Very low39.2Very low127 Ų127147.3 Ų147.389%0.88882%0.819SS**  trans-154120.3130.2-93.50000110.1
203A43.8Very low38.8Very low82 Ų82141.1 Ų141.168%0.67881%0.809SS**  trans-75.9159.9171.600000111.2
204D35.3Very low39.1Very low160 Ų160142.6 Ų142.686%0.85681%0.812SS**  trans58118.9149.9-74.2-38.3000119.9
205A37.9Very low39.5Very low95 Ų95142.7 Ų142.779%0.78581%0.812SS**  177.8130.790.700000111.7
206S45.1Very low39.9Very low110 Ų110139.3 Ų139.377%0.76981%0.805SS**  trans-50134.7157.4173.60000111.7
207R42.3Very low40.4Very low246 Ų246146 Ų14693%0.92882%0.815SS**  trans-163.8117.9144.7-113.9168.2152.2141.9-2.6113.5
208N41.2Very low40.8Very low159 Ų159148.4 Ų148.485%0.8581%0.814SS**  trans-49.5145164.2-76.9-14.8000112.7
209S41.7Very low41.1Very low115 Ų115145.9 Ų145.980%0.80481%0.811SS**  trans-151.192.11521750000110.2
210K42.8Very low41.6Very low198 Ų198144.3 Ų144.386%0.86181%0.808SS**  trans-73.6140.6143-79.7177.9174.6177.40106.6
211V39.1Very low42.1Very low121 Ų121145.4 Ų145.473%0.73381%0.809SS**  trans157.2107.8142.6155.50000108.3
212V35.7Very low42.3Very low118 Ų118152.2 Ų152.272%0.71583%0.833SS**  80.8125.8111.21750000110.6
213T43.3Very low42.7Very low119 Ų119153.5 Ų153.573%0.7383%0.831SS**  cis-169.8124.549.52.60000105.5
214Q42.4Very low42.6Very low180 Ų180157.3 Ų157.384%0.84184%0.839SS**  29.3107.598.7-152.5176.314.800115.7
215S42.6Very low43Very low121 Ų121157.1 Ų157.185%0.84684%0.838SS**  trans-157.7113.8135.9-158.80000110.4
216V46.4Very low43.3Very low125 Ų125160.8 Ų160.876%0.75884%0.841SS**  trans-69.8126.9167.5175.90000107.7
217K44.3Very low43.2Very low207 Ų207163.9 Ų163.990%0.985%0.845SS**  trans-151.3119.5140.3-143.7172.3-178.1-179.20111.8
218E45.4Very low43.3Very low165 Ų165158.5 Ų158.577%0.77184%0.84SS**  trans-66.9171.4176.8-161.8178.3-154.100112.5
219M43.3Very low43.5Very low162 Ų162158.4 Ų158.480%0.79884%0.839SS**  trans90.4103.8163.7-50.9-17877.700116.3
220L50.8Low43.6Very low159 Ų159161.8 Ų161.883%0.83284%0.842SS**  -16896.6101.4-154.170.7000111
221E45.3Very low43.7Very low198 Ų198158.8 Ų158.893%0.92584%0.84SS**  trans-12895.7150.8-100.6177.4124.600105.4
222D45.6Very low44.1Very low230 Ų230162.2 Ų162.2100%1.2385%0.85SS**  trans177.20135.4-112.9-38.1000108.8

Retrieved 222 of 222 residues in 153.2 ms (Link to these results)