A0A087X962_POEFO Loading...

Transmembrane protein 59-like

AlphaFold DB , UniProt , Accession A0A087X962, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 343 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
1M36.5Very low43.4Very low246 Ų246158.5 Ų158.5100%1.21282%0.823SS**  091.40-72.5-173.117200108.9
2L34.3Very low44.3Very low173 Ų173152.8 Ų152.891%0.90679%0.788SS**  trans-108.1109.7174.9-94.3149.1000107.9F4L2-F4 PolarHBondContact O-N 3.37Å; L2-F4 VanDerWaalsContact O-N 3.16Å
3R40.9Very low45.2Very low247 Ų247146.5 Ų146.593%0.93276%0.763SS**  trans-70.797.5177.5-84.1174.8139.4175.7-5.3109.5G5R3-G5 VanDerWaalsContact C-N 3.25Å; R3-G5 PolarHBondContact O-N 3.46Å
4F36.8Very low45.9Very low220 Ų220139.5 Ų139.597%0.96574%0.736SS**  trans-90.767.7155-104.5-87.6000108.6L2L2-F4 PolarHBondContact O-N 3.37Å; L2-F4 VanDerWaalsContact O-N 3.16Å
5G46.3Very low46.6Very low71 Ų71135.4 Ų135.473%0.73272%0.715SS**  trans-132.598.4179.700000109.3R3R3-G5 VanDerWaalsContact C-N 3.25Å; R3-G5 PolarHBondContact O-N 3.46Å
6G44.3Very low47.5Very low79 Ų79133.7 Ų133.781%0.81471%0.705SS**SBendtrans126.774.7168.600000114.3
7S46.1Very low48.3Very low107 Ų107130.2 Ų130.275%0.74870%0.695SS**SBendtrans-152.6-25.6157.2-159.70000113.3R9S7-R9 PolarHBondContact O-N 3.19Å
8M46Very low49.3Very low131 Ų131128.8 Ų128.865%0.64569%0.691SS**Hα-helixtrans-77.7-16.3179.9-62.6-17187.900114.8
9R49.8Very low49.8Very low236 Ų236126.2 Ų126.289%0.89168%0.676SS**Hα-helixtrans-79.4-18-178.3-105.4-177.8176.6-150.5-0.6114.6S7 P13S7-R9 PolarHBondContact O-N 3.19Å; R9-P13 WeakPolarHBondContact O-CD 3.21Å
10G46.2Very low50.2Low50 Ų50125 Ų12552%0.51567%0.669SS.*Hα-helixtrans-90.2-25.3-17900000113.8P13 A14G10-P13 WeakPolarHBondContact O-CD 3.35Å; G10-P13 WeakPolarHBondContact O-CG 3.33Å; G10-A14 WeakPolarHBondContact O-CB 3.5Å; G10-A14 PolarHBondContact O-N 3.46Å
11W50.8Low50.4Low184 Ų184121.9 Ų121.970%0.69766%0.661SS**Hα-helixtrans-79.1-35.5-175.4-161.10.1000112.5A14 L15W11-A14 PolarHBondContact O-N 3.35Å; W11-L15 VanDerWaalsContact CD1-CD1 3.45Å; W11-L15 HydrophobicContact CD2-CD1 4.23Å; W11-L15 HydrophobicContact CG-CD1 4.05Å; W11-L15 HydrophobicContact CZ2-CD1 4.44Å; W11-L15 WeakPolarHBondContact O-CB 3.46Å; W11-L15 PolarHBondContact O-N 3.39Å
12F53.8Low51Low90 Ų90112.4 Ų112.440%0.39563%0.626SS.*Hα-helixtrans-58.3-51.2176.3-86.8-79.1000114.8A14 L15 L16 W274F12-A14 VanDerWaalsContact C-N 3.27Å; F12-A14 PolarHBondContact O-N 2.81Å; F12-L15 PolarHBondContact O-N 3.47Å; F12-L16 VanDerWaalsContact O-CB 3.23Å; F12-L16 WeakPolarHBondContact O-CB 3.43Å; F12-L16 PolarHBondContact O-N 3.32Å; F12-W274 AromaticContact CD1-CH2 3.81Å; F12-W274 HydrophobicContact CD1-CH2 3.81Å; F12-W274 HydrophobicContact CD1-CZ2 4.41Å; F12-W274 HydrophobicContact CD1-CZ3 4.07Å; F12-W274 HydrophobicContact CD2-CH2 4.16Å; F12-W274 AromaticContact CD2-CZ2 3.95Å; F12-W274 HydrophobicContact CD2-CZ2 3.95Å; F12-W274 HydrophobicContact CE1-CD2 4.14Å; F12-W274 AromaticContact CE1-CE3 3.63Å; F12-W274 HydrophobicContact CE1-CE3 3.63Å; F12-W274 AromaticContact CE1-CH2 3.21Å; F12-W274 HydrophobicContact CE1-CH2 3.21Å; F12-W274 AromaticContact CE1-CZ2 3.77Å; F12-W274 HydrophobicContact CE1-CZ2 3.77Å; F12-W274 AromaticContact CE1-CZ3 3.13Å; F12-W274 HydrophobicContact CE1-CZ3 3.13Å; F12-W274 HydrophobicContact CE2-CD2 4.04Å; F12-W274 AromaticContact CE2-CE2 3.44Å; F12-W274 VanDerWaalsContact CE2-CE2 3.44Å; F12-W274 HydrophobicContact CE2-CE3 4.35Å; F12-W274 AromaticContact CE2-CH2 3.61Å; F12-W274 HydrophobicContact CE2-CH2 3.61Å; F12-W274 AromaticContact CE2-CZ2 3.21Å; F12-W274 HydrophobicContact CE2-CZ2 3.21Å; F12-W274 HydrophobicContact CE2-CZ3 4.17Å; F12-W274 AromaticContact CE2-NE1 3.94Å; F12-W274 HydrophobicContact CG-CH2 4.27Å; F12-W274 AromaticContact CZ-CD2 3.35Å; F12-W274 HydrophobicContact CZ-CD2 3.35Å; F12-W274 AromaticContact CZ-CE2 3.23Å; F12-W274 AromaticContact CZ-CE3 3.33Å; F12-W274 HydrophobicContact CZ-CE3 3.33Å; F12-W274 HydrophobicContact CZ-CG 4.23Å; F12-W274 AromaticContact CZ-CH2 3.13Å; F12-W274 HydrophobicContact CZ-CH2 3.13Å; F12-W274 AromaticContact CZ-CZ2 3.15Å; F12-W274 HydrophobicContact CZ-CZ2 3.15Å; F12-W274 AromaticContact CZ-CZ3 3.23Å; F12-W274 HydrophobicContact CZ-CZ3 3.23Å
13P56.6Low51.7Low71 Ų71109.4 Ų109.446%0.46161%0.611SS.*Hα-helixtrans-68.3-27.8175.725.6-32.8000112.3R9 G10 S17R9-P13 WeakPolarHBondContact O-CD 3.21Å; G10-P13 WeakPolarHBondContact O-CD 3.35Å; G10-P13 WeakPolarHBondContact O-CG 3.33Å; P13-S17 WeakPolarHBondContact O-CB 3.48Å; P13-S17 PolarHBondContact O-N 3.35Å; P13-S17 PolarHBondContact O-OG 3.47Å; P13-S17 VanDerWaalsContact O-OG 3.06Å
14A54.5Low52Low48 Ų48100 Ų10040%0.39759%0.586SS.*Hα-helixtrans-72-44.2175.700000112.3G10 W11 F12 S17 V18G10-A14 WeakPolarHBondContact O-CB 3.5Å; G10-A14 PolarHBondContact O-N 3.46Å; W11-A14 PolarHBondContact O-N 3.35Å; F12-A14 VanDerWaalsContact C-N 3.27Å; F12-A14 PolarHBondContact O-N 2.81Å; A14-S17 PolarHBondContact O-N 3.39Å; A14-V18 WeakPolarHBondContact O-CB 3.43Å; A14-V18 VanDerWaalsContact O-CG2 3.23Å; A14-V18 WeakPolarHBondContact O-CG2 3.4Å; A14-V18 PolarHBondContact O-N 3.47Å
15L56.6Low52.4Low78 Ų7892.9 Ų92.941%0.40857%0.568SS.*Hα-helixtrans-65.4-42.7174.8-101160.1000111.2W11 F12 V18 L19W11-L15 VanDerWaalsContact CD1-CD1 3.45Å; W11-L15 HydrophobicContact CD2-CD1 4.23Å; W11-L15 HydrophobicContact CG-CD1 4.05Å; W11-L15 HydrophobicContact CZ2-CD1 4.44Å; W11-L15 WeakPolarHBondContact O-CB 3.46Å; W11-L15 PolarHBondContact O-N 3.39Å; F12-L15 PolarHBondContact O-N 3.47Å; L15-V18 PolarHBondContact O-N 3.44Å; L15-L19 WeakPolarHBondContact O-CB 3.4Å; L15-L19 PolarHBondContact O-N 2.76Å
16L60.7Low52.3Low108 Ų10893.6 Ų93.657%0.56557%0.567SS**Hα-helixtrans-65.7-40.3176.5-169.966000111.4F12 L19 L20F12-L16 VanDerWaalsContact O-CB 3.23Å; F12-L16 WeakPolarHBondContact O-CB 3.43Å; F12-L16 PolarHBondContact O-N 3.32Å; L16-L19 PolarHBondContact O-N 3.13Å; L16-L20 HydrophobicContact CD1-CD1 4.46Å; L16-L20 HydrophobicContact CG-CD1 3.91Å; L16-L20 VanDerWaalsContact O-CB 3.3Å; L16-L20 WeakPolarHBondContact O-CB 3.49Å; L16-L20 WeakPolarHBondContact O-CD1 3.43Å; L16-L20 WeakPolarHBondContact O-CG 3.4Å; L16-L20 PolarHBondContact O-N 3.46Å
17S61.8Low52.3Low75 Ų7595 Ų9552%0.52456%0.56SS.*Hα-helixtrans-65.5-37.3172.8-79.20000112.9P13 A14 A21P13-S17 WeakPolarHBondContact O-CB 3.48Å; P13-S17 PolarHBondContact O-N 3.35Å; P13-S17 PolarHBondContact O-OG 3.47Å; P13-S17 VanDerWaalsContact O-OG 3.06Å; A14-S17 PolarHBondContact O-N 3.39Å; S17-A21 WeakPolarHBondContact O-CB 3.39Å; S17-A21 PolarHBondContact O-N 3.36Å
18V65.6Low51.7Low104 Ų10492.8 Ų92.863%0.6354%0.544SS*.Hα-helixtrans-69-38.5175169.40000110.9A14 L15 A21 G22A14-V18 WeakPolarHBondContact O-CB 3.43Å; A14-V18 VanDerWaalsContact O-CG2 3.23Å; A14-V18 WeakPolarHBondContact O-CG2 3.4Å; A14-V18 PolarHBondContact O-N 3.47Å; L15-V18 PolarHBondContact O-N 3.44Å; V18-A21 PolarHBondContact O-N 2.92Å; V18-G22 PolarHBondContact O-N 2.79Å
19L58.8Low51.3Low79 Ų7991.7 Ų91.741%0.41455%0.55SS..Hα-helixtrans-66-44.2173.3-104.1128000112L15 L16 G22 L23L15-L19 WeakPolarHBondContact O-CB 3.4Å; L15-L19 PolarHBondContact O-N 2.76Å; L16-L19 PolarHBondContact O-N 3.13Å; L19-G22 PolarHBondContact O-N 3.24Å; L19-L23 WeakPolarHBondContact O-CB 3.47Å; L19-L23 WeakPolarHBondContact O-CD1 3.38Å; L19-L23 WeakPolarHBondContact O-CG 3.43Å; L19-L23 PolarHBondContact O-N 2.82Å
20L57.8Low50.6Low102 Ų10286.6 Ų86.653%0.53454%0.54SS..Hα-helixtrans-66.3-37.6175.4-83.5154.5000111.9L16 L23 A24L16-L20 HydrophobicContact CD1-CD1 4.46Å; L16-L20 HydrophobicContact CG-CD1 3.91Å; L16-L20 VanDerWaalsContact O-CB 3.3Å; L16-L20 WeakPolarHBondContact O-CB 3.49Å; L16-L20 WeakPolarHBondContact O-CD1 3.43Å; L16-L20 WeakPolarHBondContact O-CG 3.4Å; L16-L20 PolarHBondContact O-N 3.46Å; L20-L23 PolarHBondContact O-N 3.49Å; L20-A24 WeakPolarHBondContact O-CB 3.23Å; L20-A24 PolarHBondContact O-N 2.64Å
21A54.6Low50.2Low60 Ų6090.8 Ų90.850%0.49655%0.55SS..Hα-helixtrans-69.2-37.5174.500000111.9S17 V18 A24 A25S17-A21 WeakPolarHBondContact O-CB 3.39Å; S17-A21 PolarHBondContact O-N 3.36Å; V18-A21 PolarHBondContact O-N 2.92Å; A21-A24 PolarHBondContact O-N 2.68Å; A21-A25 VanDerWaalsContact O-CB 3.24Å; A21-A25 WeakPolarHBondContact O-CB 3.42Å; A21-A25 PolarHBondContact O-N 2.94Å
22G49.3Very low49.7Very low47 Ų4789.4 Ų89.449%0.48555%0.549SS..Hα-helixtrans-65.9-38.3173.200000112.9V18 L19 A26V18-G22 PolarHBondContact O-N 2.79Å; L19-G22 PolarHBondContact O-N 3.24Å; G22-A26 PolarHBondContact O-N 2.84Å
23L49.4Very low49Very low110 Ų11091.6 Ų91.658%0.57657%0.565SS**Hα-helixtrans-71.7-39.5173.6-79156.8000111.9L19 L20 A26 T27L19-L23 WeakPolarHBondContact O-CB 3.47Å; L19-L23 WeakPolarHBondContact O-CD1 3.38Å; L19-L23 WeakPolarHBondContact O-CG 3.43Å; L19-L23 PolarHBondContact O-N 2.82Å; L20-L23 PolarHBondContact O-N 3.49Å; L23-A26 PolarHBondContact O-N 2.66Å; L23-T27 PolarHBondContact O-N 3.03Å; L23-T27 PolarHBondContact O-OG1 3.13Å
24A47.6Very low48.2Very low51 Ų5196.3 Ų96.342%0.42159%0.586SS.*Hα-helixtrans-68.2-38.3177.800000112.6L20 A21 A26 T27 S28L20-A24 WeakPolarHBondContact O-CB 3.23Å; L20-A24 PolarHBondContact O-N 2.64Å; A21-A24 PolarHBondContact O-N 2.68Å; A24-A26 PolarHBondContact O-N 3.32Å; A24-T27 WeakPolarHBondContact CA-OG1 3.34Å; A24-T27 CarbonylContact O-C 3.59Å; A24-T27 PolarHBondContact O-N 3.47Å; A24-T27 VanDerWaalsContact O-N 3.09Å; A24-T27 PolarHBondContact O-OG1 3.46Å; A24-T27 VanDerWaalsContact O-OG1 3.05Å; A24-S28 PolarHBondContact O-N 2.97Å
25A44.7Very low47.8Very low70 Ų70101.2 Ų101.258%0.57960%0.601SS**Hα-helixtrans-67.7-24.2174.300000112.8A21A21-A25 VanDerWaalsContact O-CB 3.24Å; A21-A25 WeakPolarHBondContact O-CB 3.42Å; A21-A25 PolarHBondContact O-N 2.94Å
26A44.4Very low47.4Very low85 Ų85103.3 Ų103.370%0.70261%0.612SS**Hα-helixtrans-80.5-18.8171.700000112.8G22 L23 A24G22-A26 PolarHBondContact O-N 2.84Å; L23-A26 PolarHBondContact O-N 2.66Å; A24-A26 PolarHBondContact O-N 3.32Å
27T42.7Very low46.8Very low109 Ų109100.9 Ų100.967%0.66961%0.613SS**Hα-helixtrans-106.6-8.6-179.656.10000114.8L23 A24 S29L23-T27 PolarHBondContact O-N 3.03Å; L23-T27 PolarHBondContact O-OG1 3.13Å; A24-T27 WeakPolarHBondContact CA-OG1 3.34Å; A24-T27 CarbonylContact O-C 3.59Å; A24-T27 PolarHBondContact O-N 3.47Å; A24-T27 VanDerWaalsContact O-N 3.09Å; A24-T27 PolarHBondContact O-OG1 3.46Å; A24-T27 VanDerWaalsContact O-OG1 3.05Å; T27-S29 PolarHBondContact O-N 2.99Å; T27-S29 VanDerWaalsContact O-N 3.11Å
28S35.2Very low45.9Very low60 Ų60103.4 Ų103.442%0.4262%0.621SS.*  trans-80.793.4178.263.90000110.9A24 D30A24-S28 PolarHBondContact O-N 2.97Å; S28-D30 PolarHBondContact O-N 2.76Å
29S37.6Very low45.3Very low109 Ų109103.5 Ų103.576%0.76262%0.616SS**  trans-71.543.3170.949.90000113.5T27T27-S29 PolarHBondContact O-N 2.99Å; T27-S29 VanDerWaalsContact O-N 3.11Å
30D35Very low44.7Very low128 Ų128103.8 Ų103.868%0.68462%0.618SS**  trans-135.332.6-175-68.1-63000112.9S28S28-D30 PolarHBondContact O-N 2.76Å
31L36Very low44.3Very low138 Ų138106.9 Ų106.972%0.72362%0.624SS**SBendtrans-89-3178-99.8166.2000114.4
32F40.7Very low43.9Very low156 Ų156108.2 Ų108.268%0.68463%0.629SS**SBendtrans-102.9-15.7-171.4-70.2-73.3000115.5N34 Q35F32-N34 VanDerWaalsContact C-N 3.27Å; F32-N34 PolarHBondContact O-N 3.49Å; F32-Q35 PolarHBondContact O-N 3.4Å
33D38.6Very low44Very low136 Ų136112.4 Ų112.473%0.72763%0.633SS**G310 helixtrans-69.8-24.8-177.8-109.2-69.7000113.2Q35D33-Q35 VanDerWaalsContact C-N 3.31Å; D33-Q35 PolarHBondContact O-N 3Å
34N41.6Very low44.1Very low169 Ų169113.9 Ų113.990%0.90464%0.635SS**G310 helixtrans-84.5-0.4-179.4-117.7-35.4000114.2F32F32-N34 VanDerWaalsContact C-N 3.27Å; F32-N34 PolarHBondContact O-N 3.49Å
35Q45.2Very low44.2Very low152 Ų152115.7 Ų115.771%0.7164%0.635SS**G310 helixtrans-100.8-8.3-178.5-146.9177.67.400113.6F32 D33 G37F32-Q35 PolarHBondContact O-N 3.4Å; D33-Q35 VanDerWaalsContact C-N 3.31Å; D33-Q35 PolarHBondContact O-N 3Å; Q35-G37 PolarHBondContact O-N 3.42Å
36L47.2Very low44.5Very low121 Ų121115.6 Ų115.663%0.63463%0.629SS**SBendtrans-87.486.9169.1-79.778.4000108.3
37G48.4Very low44.7Very low57 Ų57117.5 Ų117.559%0.58862%0.624SS**  trans-54.7165.7169.800000112.7Q35 I39Q35-G37 PolarHBondContact O-N 3.42Å; G37-I39 WeakPolarHBondContact O-CG2 3.48Å; G37-I39 PolarHBondContact O-N 3.3Å
38D42.8Very low45.1Very low129 Ų129117 Ų11769%0.6962%0.616SS**  trans-42.796-168.8-166.73.9000114.8N40D38-N40 PolarHBondContact O-N 3.36Å; D38-N40 VanDerWaalsContact OD1-CB 3.24Å; D38-N40 WeakPolarHBondContact OD1-CB 3.25Å; D38-N40 PolarHBondContact OD1-N 2.95Å; D38-N40 PolarHBondContact OD1-ND2 2.85Å
39I53.3Low45.8Very low106 Ų106118.9 Ų118.954%0.54463%0.626SS.*THydrogen-bonded Turntrans-76.61.6-179.550.5169.3000113G37 Y41 C42 K43G37-I39 WeakPolarHBondContact O-CG2 3.48Å; G37-I39 PolarHBondContact O-N 3.3Å; I39-Y41 PolarHBondContact O-N 2.98Å; I39-C42 PolarHBondContact O-N 3.49Å; I39-K43 WeakPolarHBondContact O-CB 3.28Å; I39-K43 PolarHBondContact O-N 3.45Å
40N47.3Very low46.4Very low85 Ų85118.9 Ų118.946%0.45562%0.616SS.*Hα-helixtrans-61-32.6-179.8-84.8-58.9000113.1D38 K44D38-N40 PolarHBondContact O-N 3.36Å; D38-N40 VanDerWaalsContact OD1-CB 3.24Å; D38-N40 WeakPolarHBondContact OD1-CB 3.25Å; D38-N40 PolarHBondContact OD1-N 2.95Å; D38-N40 PolarHBondContact OD1-ND2 2.85Å; N40-K44 WeakPolarHBondContact O-CB 3.41Å; N40-K44 VanDerWaalsContact O-CG 3.28Å; N40-K44 WeakPolarHBondContact O-CG 3.42Å; N40-K44 PolarHBondContact O-N 3.31Å
41Y48.4Very low46.8Very low167 Ų167120.6 Ų120.666%0.65562%0.617SS**Hα-helixtrans-66.5-46.5176.5-175.3-98.4000111.3I39 K43 K44 Q45I39-Y41 PolarHBondContact O-N 2.98Å; Y41-K43 PolarHBondContact O-N 3.06Å; Y41-K44 PolarHBondContact O-N 3.28Å; Y41-Q45 PolarHBondContact O-N 3.02Å
42C47.4Very low47.5Very low88 Ų88120.9 Ų120.960%0.59562%0.619SS**Hα-helixtrans-63.9-41.8177.2-169.30000111.6I39 K44 Q45 C46I39-C42 PolarHBondContact O-N 3.49Å; C42-K44 VanDerWaalsContact C-N 3.35Å; C42-K44 PolarHBondContact O-N 3.32Å; C42-Q45 PolarHBondContact O-N 2.92Å; C42-C46 VanDerWaalsContact O-CB 3.31Å; C42-C46 WeakPolarHBondContact O-CB 3.29Å; C42-C46 PolarHBondContact O-N 3.4Å
43K49.8Very low47.9Very low134 Ų134122 Ų12258%0.58362%0.624SS**Hα-helixtrans-61.2-41.8176-168.6177.2-177.5177.80112I39 Y41 Q47I39-K43 WeakPolarHBondContact O-CB 3.28Å; I39-K43 PolarHBondContact O-N 3.45Å; Y41-K43 PolarHBondContact O-N 3.06Å; K43-Q47 VanDerWaalsContact O-CB 3.32Å; K43-Q47 WeakPolarHBondContact O-CB 3.23Å; K43-Q47 WeakPolarHBondContact O-CG 3.5Å; K43-Q47 PolarHBondContact O-N 3.42Å
44K52.4Low48Very low141 Ų141120.1 Ų120.161%0.61362%0.622SS**Hα-helixtrans-68.5-41.1176.6-77178.3-178.6-179.60112.2N40 Y41 C42 Q47 L48N40-K44 WeakPolarHBondContact O-CB 3.41Å; N40-K44 VanDerWaalsContact O-CG 3.28Å; N40-K44 WeakPolarHBondContact O-CG 3.42Å; N40-K44 PolarHBondContact O-N 3.31Å; Y41-K44 PolarHBondContact O-N 3.28Å; C42-K44 VanDerWaalsContact C-N 3.35Å; C42-K44 PolarHBondContact O-N 3.32Å; K44-Q47 PolarHBondContact O-N 3.37Å; K44-L48 WeakPolarHBondContact O-CG 3.27Å; K44-L48 PolarHBondContact O-N 2.93Å
45Q49.8Very low48.2Very low89 Ų89118.1 Ų118.142%0.41662%0.618SS.*Hα-helixtrans-65.7-42.1178.1-137.873.9-1500111.3Y41 C42 L48 T49Y41-Q45 PolarHBondContact O-N 3.02Å; C42-Q45 PolarHBondContact O-N 2.92Å; Q45-L48 PolarHBondContact O-N 3.4Å; Q45-T49 PolarHBondContact O-N 3.13Å; Q45-T49 PolarHBondContact O-OG1 3.05Å; Q45-T49 VanDerWaalsContact O-OG1 3.06Å
46C49.7Very low47.8Very low68 Ų68115.9 Ų115.946%0.45963%0.625SS.*Hα-helixtrans-64.5-42.9175.5-169.10000111.7C42 L48 T49 I50C42-C46 VanDerWaalsContact O-CB 3.31Å; C42-C46 WeakPolarHBondContact O-CB 3.29Å; C42-C46 PolarHBondContact O-N 3.4Å; C46-L48 VanDerWaalsContact C-N 3.35Å; C46-L48 PolarHBondContact O-N 3.18Å; C46-T49 PolarHBondContact O-N 2.91Å; C46-I50 VanDerWaalsContact O-CG1 3.28Å; C46-I50 WeakPolarHBondContact O-CG1 3.34Å; C46-I50 PolarHBondContact O-N 3.23Å
47Q49Very low47.3Very low125 Ų125119 Ų11958%0.58463%0.633SS**Hα-helixtrans-61.9-38.2174.7-79.7-105.7-27.800112.9K43 K44 I50 K51K43-Q47 VanDerWaalsContact O-CB 3.32Å; K43-Q47 WeakPolarHBondContact O-CB 3.23Å; K43-Q47 WeakPolarHBondContact O-CG 3.5Å; K43-Q47 PolarHBondContact O-N 3.42Å; K44-Q47 PolarHBondContact O-N 3.37Å; Q47-I50 PolarHBondContact O-N 3.45Å; Q47-K51 VanDerWaalsContact O-CB 3.25Å; Q47-K51 WeakPolarHBondContact O-CB 3.22Å; Q47-K51 PolarHBondContact O-N 3.37Å
48L52.7Low47.1Very low99 Ų99121.3 Ų121.352%0.51865%0.647SS.*Hα-helixtrans-68.6-37.7176.2-73.7167.7000112.1K44 Q45 C46 K51 N52K44-L48 WeakPolarHBondContact O-CG 3.27Å; K44-L48 PolarHBondContact O-N 2.93Å; Q45-L48 PolarHBondContact O-N 3.4Å; C46-L48 VanDerWaalsContact C-N 3.35Å; C46-L48 PolarHBondContact O-N 3.18Å; L48-K51 PolarHBondContact O-N 2.91Å; L48-N52 WeakPolarHBondContact O-CB 3.25Å; L48-N52 PolarHBondContact O-N 3.28Å; L48-N52 PolarHBondContact O-ND2 3.31Å
49T48.6Very low46.7Very low100 Ų100123 Ų12361%0.61365%0.651SS**Hα-helixtrans-67.2-36.3175.2-55.80000112.2Q45 C46Q45-T49 PolarHBondContact O-N 3.13Å; Q45-T49 PolarHBondContact O-OG1 3.05Å; Q45-T49 VanDerWaalsContact O-OG1 3.06Å; C46-T49 PolarHBondContact O-N 2.91Å
50I50.7Low46.3Very low109 Ų109124.2 Ų124.256%0.55967%0.669SS**Hα-helixtrans-72.1-42175.3-65165.2000110.8C46 Q47 K53C46-I50 VanDerWaalsContact O-CG1 3.28Å; C46-I50 WeakPolarHBondContact O-CG1 3.34Å; C46-I50 PolarHBondContact O-N 3.23Å; Q47-I50 PolarHBondContact O-N 3.45Å; I50-K53 CarbonylContact O-C 3.59Å; I50-K53 PolarHBondContact O-N 3.02Å; I50-K53 VanDerWaalsContact O-N 3.11Å
51K43.5Very low45.6Very low163 Ų163123.4 Ų123.471%0.70968%0.68SS**Hα-helixtrans-71.5-31.3-177-158.2176.1-174.2-178.10113.3Q47 L48 K53Q47-K51 VanDerWaalsContact O-CB 3.25Å; Q47-K51 WeakPolarHBondContact O-CB 3.22Å; Q47-K51 PolarHBondContact O-N 3.37Å; L48-K51 PolarHBondContact O-N 2.91Å; K51-K53 PolarHBondContact O-N 3.35Å
52N50.6Low45.2Very low144 Ų144126.9 Ų126.977%0.7769%0.694SS**THydrogen-bonded Turntrans-73.4-0.7172.1-77.7-35.4000113.6L48L48-N52 WeakPolarHBondContact O-CB 3.25Å; L48-N52 PolarHBondContact O-N 3.28Å; L48-N52 PolarHBondContact O-ND2 3.31Å
53K48.6Very low44.5Very low181 Ų181128.9 Ų128.979%0.78770%0.699SS**SBendtrans-122.473.4177.8-154.3162.4-174.8179.60110.6I50 K51I50-K53 CarbonylContact O-C 3.59Å; I50-K53 PolarHBondContact O-N 3.02Å; I50-K53 VanDerWaalsContact O-N 3.11Å; K51-K53 PolarHBondContact O-N 3.35Å
54S40.3Very low44.1Very low96 Ų96127.4 Ų127.467%0.67170%0.703SS**  trans-161.5155.5160.558.70000111.1
55P46.5Very low43.5Very low126 Ų126129.2 Ų129.282%0.81871%0.707SS**  cis-125.1101.4-28.632.7-13.9000109.1
56A37.1Very low43.1Very low105 Ų105133.5 Ų133.587%0.86873%0.727SS**SBendtrans-10997.8171.700000109.2
57K36.1Very low42.6Very low186 Ų186137 Ų13781%0.80974%0.741SS**  trans74.486.1166.5-119162.5179.8175.20116.5E59K57-E59 PolarHBondContact O-N 2.89Å
58A43.8Very low42.2Very low106 Ų106138.1 Ų138.188%0.87675%0.746SS**  trans-66.4110.2146.900000108.5
59E36Very low41.6Very low164 Ų164139.4 Ų139.477%0.76676%0.762SS**  trans-144.6114.8154.4-102.9-175166.600109.2K57K57-E59 PolarHBondContact O-N 2.89Å
60S44.7Very low41.2Very low133 Ų133143.1 Ų143.193%0.9377%0.77SS**SBendtrans37.295.6153.5-165.20000117.5
61G32.4Very low40.8Very low67 Ų67145.2 Ų145.269%0.69178%0.783SS**  trans173.4109.7165.900000110.4D63G61-D63 PolarHBondContact O-N 3.49Å
62Y39.7Very low40.5Very low241 Ų241142.3 Ų142.395%0.94578%0.783SS**  trans-57.6107.2167.6-116.9-101000108.4
63D33Very low39.8Very low130 Ų130141 Ų14170%0.69578%0.775SS**  trans-105.9109.3175.7-123.1-17.7000109.1G61 Y65G61-D63 PolarHBondContact O-N 3.49Å; D63-Y65 PolarHBondContact O-N 3.38Å
64P39.9Very low39.5Very low102 Ų102138.8 Ų138.866%0.66277%0.771SS**G310 helixtrans-75.72.7-174.328.1-31.9000114.5
65Y40.6Very low39.5Very low179 Ų179137.8 Ų137.870%0.70276%0.764SS**G310 helixtrans-901.4-173.8-76.3-80.2000115.5D63 N67D63-Y65 PolarHBondContact O-N 3.38Å; Y65-N67 VanDerWaalsContact C-N 3.29Å; Y65-N67 PolarHBondContact O-N 2.93Å
66H40.9Very low39.3Very low180 Ų180137.1 Ų137.183%0.83376%0.758SS**G310 helixtrans-79.7-5.2-175.2-141.5-66.1000114.9
67N39.4Very low39.5Very low141 Ų141140.4 Ų140.475%0.75475%0.753SS**G310 helixtrans-119.14.8-177.4-84.2-10.8000115.4Y65 C69Y65-N67 VanDerWaalsContact C-N 3.29Å; Y65-N67 PolarHBondContact O-N 2.93Å; N67-C69 VanDerWaalsContact C-N 3.27Å; N67-C69 PolarHBondContact O-N 2.78Å
68Q40.1Very low39.7Very low148 Ų148138.6 Ų138.669%0.69274%0.742SS**THydrogen-bonded Turntrans-91.329.2-175.7-153.1125.453.700114.3
69C42Very low39.3Very low127 Ų127139.6 Ų139.686%0.85873%0.732SS**THydrogen-bonded Turntrans-1358.7172.2-103.10000113.6N67N67-C69 VanDerWaalsContact C-N 3.27Å; N67-C69 PolarHBondContact O-N 2.78Å
70F39.5Very low39.3Very low177 Ų177138.8 Ų138.878%0.77673%0.728SS**SBendtrans-119.9-7.3-177.7-140.7-95.7000115.6
71N42.8Very low39.3Very low154 Ų154138.6 Ų138.682%0.82472%0.716SS**  trans-153.263.2175.9-83.2-47.4000111.4
72S36Very low39.6Very low101 Ų101142.8 Ų142.871%0.70672%0.716SS**  trans-113.892.7158.858.90000107.8I74S72-I74 PolarHBondContact O-N 3.23Å
73D36.6Very low39.4Very low116 Ų116135.1 Ų135.162%0.6270%0.697SS**  trans-19.6111.8161.1-83.2-64.6000114.2S75D73-S75 WeakPolarHBondContact CB-OG 3.39Å; D73-S75 PolarHBondContact O-N 3.24Å; D73-S75 PolarHBondContact OD1-OG 2.88Å
74I42Very low40Very low136 Ų136132.7 Ų132.770%0.69769%0.687SS**THydrogen-bonded Turntrans-61.72.7156.8-75169.7000110.9S72 Y78S72-I74 PolarHBondContact O-N 3.23Å; I74-Y78 HydrophobicContact CG2-CD2 3.88Å; I74-Y78 HydrophobicContact CG2-CE2 3.8Å; I74-Y78 WeakPolarHBondContact O-CD2 3.22Å
75S40.5Very low40.2Very low74 Ų74132 Ų13252%0.51768%0.684SS.*Hα-helixtrans-75.2-24.3179.6-35.10000113.4D73D73-S75 WeakPolarHBondContact CB-OG 3.39Å; D73-S75 PolarHBondContact O-N 3.24Å; D73-S75 PolarHBondContact OD1-OG 2.88Å
76V42.2Very low40.3Very low113 Ų113134.1 Ų134.169%0.68569%0.693SS**Hα-helixtrans-85.1-27.6-175.2-177.30000113
77F40.4Very low40.2Very low174 Ų174130.7 Ų130.776%0.76368%0.681SS**Hα-helixtrans-86.1-20-177.9-123.2-88.5000114
78Y40.4Very low40.4Very low148 Ų148129 Ų12958%0.5869%0.686SS**Hα-helixtrans-80.9-22.9179.3-92.8-88000113.4I74I74-Y78 HydrophobicContact CG2-CD2 3.88Å; I74-Y78 HydrophobicContact CG2-CE2 3.8Å; I74-Y78 WeakPolarHBondContact O-CD2 3.22Å
79N36.6Very low40.5Very low127 Ų127130.4 Ų130.468%0.67969%0.693SS**Hα-helixtrans-81-28.7-171.7-146.225.2000113.5
80E36.2Very low40.2Very low147 Ų147132 Ų13269%0.68769%0.685SS**Hα-helixtrans-87.6-17.9-179.8-83-66.9161.500114.4S83E80-S83 PolarHBondContact O-OG 3.21Å
81L43.7Very low40.4Very low128 Ų128125.4 Ų125.467%0.6766%0.663SS**Hα-helixtrans-86.8-25.2172.7-103.2103000113.2
82F39.7Very low40.2Very low156 Ų156121.8 Ų121.868%0.68466%0.655SS**Hα-helixtrans-86.2-19.1-177.4-113.7-88.2000113.7V84F82-V84 PolarHBondContact O-N 2.88Å
83S35Very low40.4Very low80 Ų80122.2 Ų122.256%0.55965%0.652SS**THydrogen-bonded Turntrans-70.7-14.6177.261.30000113.6E80E80-S83 PolarHBondContact O-OG 3.21Å
84V45.3Very low40.6Very low79 Ų79121 Ų12148%0.47965%0.646SS.*THydrogen-bonded Turntrans-93.4-4.4-176.2-177.40000113.5F82F82-V84 PolarHBondContact O-N 2.88Å
85S44.9Very low40.7Very low86 Ų86120.2 Ų120.260%0.60164%0.642SS**THydrogen-bonded Turntrans-111.774.1-172.9174.10000113.5
86Y42.8Very low40.7Very low224 Ų224120.9 Ų120.988%0.87865%0.647SS**THydrogen-bonded Turntrans-118.4-3.7155.2-91.2-84.5000114.1
87D37.3Very low40.5Very low109 Ų109122.2 Ų122.258%0.58365%0.646SS**  trans-140.8117.2175.1-94.6-46.8000111.9E89 K90D87-E89 PolarHBondContact O-N 3.39Å; D87-K90 PolarHBondContact O-N 3.16Å
88A44Very low40.6Very low104 Ų104118.8 Ų118.886%0.8664%0.639SS**THydrogen-bonded Turntrans-67.1-13.3-17800000113.6
89E42.5Very low40.8Very low179 Ų179118.3 Ų118.384%0.83665%0.646SS**THydrogen-bonded Turntrans-91-26.8-176.8-156.9174.7178.700113.3D87D87-E89 PolarHBondContact O-N 3.39Å
90K35.8Very low40.9Very low161 Ų161121 Ų12170%0.765%0.651SS**THydrogen-bonded Turntrans-89.1-13.6178.6-72.4-175.2-179.5-177.80114.3D87 A92D87-K90 PolarHBondContact O-N 3.16Å; K90-A92 VanDerWaalsContact C-N 3.29Å; K90-A92 PolarHBondContact O-N 3.33Å
91A42.9Very low41.1Very low37 Ų37119.5 Ų119.531%0.30665%0.652SS.*Hα-helixtrans-68.1-24.6-177.700000113.7I95A91-I95 WeakPolarHBondContact O-CD1 3.42Å; A91-I95 VanDerWaalsContact O-CG1 3.24Å; A91-I95 WeakPolarHBondContact O-CG1 3.42Å
92A39.9Very low41.1Very low79 Ų79117.5 Ų117.565%0.65365%0.649SS**Hα-helixtrans-73.9-28.4-17700000113.7K90K90-A92 VanDerWaalsContact C-N 3.29Å; K90-A92 PolarHBondContact O-N 3.33Å
93V39Very low41.2Very low109 Ų109114.4 Ų114.466%0.66164%0.644SS**Hα-helixtrans-81.5-29.3-174.21790000112.2
94N40.8Very low41.3Very low92 Ų92118.2 Ų118.249%0.49266%0.657SS.*Hα-helixtrans-88.6-6.6-179.8-93.3-14.1000114.9S96 V98N94-S96 VanDerWaalsContact C-N 3.31Å; N94-S96 PolarHBondContact O-N 2.95Å; N94-V98 PolarHBondContact O-N 3.11Å
95I44.8Very low41.1Very low118 Ų118122.6 Ų122.661%0.60568%0.678SS**Hα-helixtrans-73.7-23.1178.7-69.2164.5000111.8A91A91-I95 WeakPolarHBondContact O-CD1 3.42Å; A91-I95 VanDerWaalsContact O-CG1 3.24Å; A91-I95 WeakPolarHBondContact O-CG1 3.42Å
96S39.9Very low41Very low89 Ų89121.7 Ų121.762%0.62268%0.675SS**Hα-helixtrans-78.5-27.117778.10000113.5N94N94-S96 VanDerWaalsContact C-N 3.31Å; N94-S96 PolarHBondContact O-N 2.95Å
97E38.3Very low40.9Very low141 Ų141117.1 Ų117.166%0.65967%0.67SS**Hα-helixtrans-81.4-38.7-178.5-72.8-109.7141.100112.3L99 F100E97-L99 VanDerWaalsContact C-N 3.27Å; E97-L99 PolarHBondContact O-N 3.49Å; E97-F100 PolarHBondContact O-N 3.48Å; E97-F100 VanDerWaalsContact O-N 3.14Å
98V43.2Very low41.1Very low102 Ų102118.5 Ų118.562%0.61868%0.678SS**Hα-helixtrans-70-25.8179.4-179.90000112.1N94 F100N94-V98 PolarHBondContact O-N 3.11Å; V98-F100 PolarHBondContact O-N 2.92Å
99L43.4Very low41Very low138 Ų138117.7 Ų117.772%0.72367%0.671SS**THydrogen-bonded Turntrans-70.9-19.9175.2-163.666.1000112.6E97E97-L99 VanDerWaalsContact C-N 3.27Å; E97-L99 PolarHBondContact O-N 3.49Å
100F38.7Very low41.2Very low182 Ų182120.2 Ų120.280%0.79867%0.673SS**THydrogen-bonded Turntrans-86.4-20-176.1-146.2-94.9000113.8E97 V98 P103E97-F100 PolarHBondContact O-N 3.48Å; E97-F100 VanDerWaalsContact O-N 3.14Å; V98-F100 PolarHBondContact O-N 2.92Å; F100-P103 WeakPolarHBondContact O-CD 3.48Å
101V41.3Very low41.6Very low117 Ų117114.7 Ų114.771%0.70966%0.662SS**SBendtrans-88.1-9.9-178.9-174.70000112.8
102S43.4Very low41.6Very low85 Ų85117.7 Ų117.759%0.59468%0.68SS**THydrogen-bonded Turntrans-75.6-7.1-176.2-67.90000118.5
103P40.9Very low41.9Very low92 Ų92118.7 Ų118.760%0.59768%0.681SS**THydrogen-bonded Turntrans-78.6-20.8175.6-11.226.7000114.2F100 A106F100-P103 WeakPolarHBondContact O-CD 3.48Å; P103-A106 PolarHBondContact O-N 3.37Å
104L37.7Very low42Very low159 Ų159120.7 Ų120.783%0.83268%0.681SS**THydrogen-bonded Turntrans-84.4-15.2-164.9-140.981.7000115.1
105L42Very low42.1Very low172 Ų172125.1 Ų125.190%0.90169%0.692SS**THydrogen-bonded Turntrans-104.35.7173-82.5155.5000112.7V107L105-V107 PolarHBondContact O-N 3.32Å; L105-V107 VanDerWaalsContact O-N 3.15Å
106A41.8Very low42.1Very low67 Ų67126.1 Ų126.155%0.55469%0.694SS**  trans-81.926.2175.500000112.9P103P103-A106 PolarHBondContact O-N 3.37Å
107V41.5Very low42.5Very low127 Ų127126.9 Ų126.977%0.7769%0.69SS**SBendtrans-106.597.8170.6-172.70000107.1L105L105-V107 PolarHBondContact O-N 3.32Å; L105-V107 VanDerWaalsContact O-N 3.15Å
108D40.8Very low43.1Very low138 Ų138122.2 Ų122.274%0.73868%0.676SS**SBendtrans123.617.7150.7-143.227.2000119
109A42.8Very low43.7Very low88 Ų88123.2 Ų123.273%0.72767%0.674SS**  trans-10890.216300000110.6G111A109-G111 PolarHBondContact O-N 2.89Å
110R45.4Very low44.1Very low231 Ų231123.8 Ų123.887%0.87267%0.671SS**  trans-58.8108.2175-68.1-179-163.6-141.51.2111C112R110-C112 PolarHBondContact O-N 3.11Å
111G44.8Very low45Very low45 Ų45119.1 Ų119.146%0.46465%0.653SS.*SBendtrans79.3-44.1138.100000119A109 Y115A109-G111 PolarHBondContact O-N 2.89Å; G111-Y115 VanDerWaalsContact O-CD2 3.24Å; G111-Y115 WeakPolarHBondContact O-CD2 3.45Å
112C44.3Very low45.7Very low101 Ų101117.7 Ų117.768%0.68264%0.639SS**Hα-helixtrans-84.9-39.4-165.6-146.80000113.6R110R110-C112 PolarHBondContact O-N 3.11Å
113C45.9Very low46.5Very low100 Ų100116.2 Ų116.268%0.67663%0.626SS**Hα-helixtrans-81.1-16.7-176.5-620000113.9L117C113-L117 VanDerWaalsContact O-CB 3.28Å; C113-L117 WeakPolarHBondContact O-CB 3.37Å; C113-L117 PolarHBondContact O-N 2.65Å; C113-L117 VanDerWaalsContact O-N 3.16Å
114F40.6Very low47.3Very low150 Ų150117.6 Ų117.666%0.65863%0.628SS**Hα-helixtrans-74.7-40.7-175-148.3-89.8000112.1A118F114-A118 WeakPolarHBondContact O-CB 3.41Å; F114-A118 PolarHBondContact O-N 3.4Å
115Y41.7Very low48.4Very low185 Ų185116.3 Ų116.373%0.72561%0.612SS**Hα-helixtrans-69.3-39.4178.4-69.2-77000112.3G111 A118 E119G111-Y115 VanDerWaalsContact O-CD2 3.24Å; G111-Y115 WeakPolarHBondContact O-CD2 3.45Å; Y115-A118 PolarHBondContact O-N 2.91Å; Y115-E119 WeakPolarHBondContact O-CB 3.3Å; Y115-E119 PolarHBondContact O-N 3.48Å
116Q46.7Very low49.1Very low139 Ų139115 Ų11565%0.6560%0.595SS**Hα-helixtrans-75.8-28-178.3-138.6148.412.300112.6K120Q116-K120 VanDerWaalsContact O-CB 3.25Å; Q116-K120 WeakPolarHBondContact O-CB 3.17Å; Q116-K120 PolarHBondContact O-N 3.3Å; Q116-K120 VanDerWaalsContact O-N 3.14Å
117L48.1Very low49.8Very low105 Ų105117.9 Ų117.955%0.5560%0.595SS.*Hα-helixtrans-72.4-42.7171.4-17166.9000111.5C113 K120 I121C113-L117 VanDerWaalsContact O-CB 3.28Å; C113-L117 WeakPolarHBondContact O-CB 3.37Å; C113-L117 PolarHBondContact O-N 2.65Å; C113-L117 VanDerWaalsContact O-N 3.16Å; L117-K120 PolarHBondContact O-N 2.88Å; L117-I121 HydrophobicContact CD1-CD1 4.37Å; L117-I121 HydrophobicContact CG-CD1 3.91Å; L117-I121 WeakPolarHBondContact O-CB 3.42Å; L117-I121 WeakPolarHBondContact O-CG1 3.48Å; L117-I121 PolarHBondContact O-N 3.11Å
118A51.2Low50.3Low44 Ų44117 Ų11736%0.36459%0.586SS.*Hα-helixtrans-61-45.417600000111.9F114 Y115 K120 I121 E122F114-A118 WeakPolarHBondContact O-CB 3.41Å; F114-A118 PolarHBondContact O-N 3.4Å; Y115-A118 PolarHBondContact O-N 2.91Å; A118-K120 PolarHBondContact O-N 2.97Å; A118-I121 PolarHBondContact O-N 2.94Å; A118-E122 WeakPolarHBondContact O-CG 3.43Å; A118-E122 PolarHBondContact O-N 2.83Å
119E54.4Low50.8Low123 Ų123117.6 Ų117.658%0.57558%0.577SS**Hα-helixtrans-64.6-39.3177.8-170.6-179.6-176.500112.1Y115 E122 T123Y115-E119 WeakPolarHBondContact O-CB 3.3Å; Y115-E119 PolarHBondContact O-N 3.48Å; E119-E122 PolarHBondContact O-N 3.37Å; E119-T123 WeakPolarHBondContact O-CB 3.23Å; E119-T123 PolarHBondContact O-N 3.49Å; E119-T123 PolarHBondContact O-OG1 3.27Å
120K52.2Low51.3Low149 Ų149116.3 Ų116.365%0.64857%0.567SS**Hα-helixtrans-69.2-38.8178.4-166.1175.1-176.3-175.70112Q116 L117 A118 T123 L124Q116-K120 VanDerWaalsContact O-CB 3.25Å; Q116-K120 WeakPolarHBondContact O-CB 3.17Å; Q116-K120 PolarHBondContact O-N 3.3Å; Q116-K120 VanDerWaalsContact O-N 3.14Å; L117-K120 PolarHBondContact O-N 2.88Å; A118-K120 PolarHBondContact O-N 2.97Å; K120-T123 PolarHBondContact O-N 3.13Å; K120-L124 WeakPolarHBondContact O-CB 3.2Å; K120-L124 PolarHBondContact O-N 3.39Å
121I57.9Low51.3Low84 Ų84111.3 Ų111.343%0.43156%0.555SS.*Hα-helixtrans-65.1-41.6174.8-70.7168000110.6L117 A118 L124 R125L117-I121 HydrophobicContact CD1-CD1 4.37Å; L117-I121 HydrophobicContact CG-CD1 3.91Å; L117-I121 WeakPolarHBondContact O-CB 3.42Å; L117-I121 WeakPolarHBondContact O-CG1 3.48Å; L117-I121 PolarHBondContact O-N 3.11Å; A118-I121 PolarHBondContact O-N 2.94Å; I121-L124 PolarHBondContact O-N 3.37Å; I121-R125 VanDerWaalsContact O-CB 3.31Å; I121-R125 WeakPolarHBondContact O-CB 3.48Å; I121-R125 PolarHBondContact O-N 3.48Å
122E55.3Low51.5Low88 Ų88114.1 Ų114.141%0.41156%0.563SS.*Hα-helixtrans-65.4-39.5175.2-75.4-173.9-169.700112.9A118 E119 R125 R126A118-E122 WeakPolarHBondContact O-CG 3.43Å; A118-E122 PolarHBondContact O-N 2.83Å; E119-E122 PolarHBondContact O-N 3.37Å; E122-R125 PolarHBondContact O-N 2.93Å; E122-R126 WeakPolarHBondContact O-CB 3.26Å; E122-R126 VanDerWaalsContact O-CG 3.31Å; E122-R126 WeakPolarHBondContact O-CG 3.36Å; E122-R126 PolarHBondContact O-N 3.42Å; E122-R126 IonicContact OE2-NH2 2.95Å; E122-R126 PolarHBondContact OE2-NH2 2.92Å
123T61.3Low51.5Low53 Ų53116.2 Ų116.233%0.32557%0.567SS.*Hα-helixtrans-66.8-40.5177.1-56.60000111E119 K120 R126 K127E119-T123 WeakPolarHBondContact O-CB 3.23Å; E119-T123 PolarHBondContact O-N 3.49Å; E119-T123 PolarHBondContact O-OG1 3.27Å; K120-T123 PolarHBondContact O-N 3.13Å; T123-R126 PolarHBondContact O-N 2.81Å; T123-K127 WeakPolarHBondContact O-CB 3.49Å; T123-K127 WeakPolarHBondContact O-CG 3.38Å; T123-K127 PolarHBondContact O-N 2.9Å
124L57.8Low51.3Low122 Ų122121 Ų12164%0.63957%0.571SS**Hα-helixtrans-63.3-42.8173.3-162.683.9000110.8K120 I121 R126 K127 L128K120-L124 WeakPolarHBondContact O-CB 3.2Å; K120-L124 PolarHBondContact O-N 3.39Å; I121-L124 PolarHBondContact O-N 3.37Å; L124-R126 PolarHBondContact O-N 3.38Å; L124-K127 PolarHBondContact O-N 2.97Å; L124-L128 VanDerWaalsContact O-CB 3.3Å; L124-L128 WeakPolarHBondContact O-CB 3.22Å; L124-L128 PolarHBondContact O-N 3.42Å
125R59.9Low51.3Low131 Ų131119.2 Ų119.249%0.49457%0.574SS.*Hα-helixtrans-64.7-38176.1-171.1-174-74.3144.1-9112.2I121 E122 R129I121-R125 VanDerWaalsContact O-CB 3.31Å; I121-R125 WeakPolarHBondContact O-CB 3.48Å; I121-R125 PolarHBondContact O-N 3.48Å; E122-R125 PolarHBondContact O-N 2.93Å; R125-R129 WeakPolarHBondContact O-CB 3.29Å; R125-R129 WeakPolarHBondContact O-CG 3.18Å; R125-R129 PolarHBondContact O-N 3.42Å
126R57.7Low51.3Low146 Ų146118.9 Ų118.955%0.55158%0.576SS**Hα-helixtrans-68.9-42.1174.5-74.4-178.6-127.8159.21.9111.2E122 T123 L124 R129 A130E122-R126 WeakPolarHBondContact O-CB 3.26Å; E122-R126 VanDerWaalsContact O-CG 3.31Å; E122-R126 WeakPolarHBondContact O-CG 3.36Å; E122-R126 PolarHBondContact O-N 3.42Å; E122-R126 IonicContact OE2-NH2 2.95Å; E122-R126 PolarHBondContact OE2-NH2 2.92Å; T123-R126 PolarHBondContact O-N 2.81Å; L124-R126 PolarHBondContact O-N 3.38Å; R126-R129 PolarHBondContact O-N 3.21Å; R126-A130 WeakPolarHBondContact O-CB 3.48Å; R126-A130 PolarHBondContact O-N 3.43Å
127K54.9Low51.2Low127 Ų127117.1 Ų117.155%0.55258%0.577SS**Hα-helixtrans-64.5-41.4174.5-80.3-175.6175.7-178.20112.3T123 L124 A130 M131T123-K127 WeakPolarHBondContact O-CB 3.49Å; T123-K127 WeakPolarHBondContact O-CG 3.38Å; T123-K127 PolarHBondContact O-N 2.9Å; L124-K127 PolarHBondContact O-N 2.97Å; K127-A130 PolarHBondContact O-N 3.49Å; K127-M131 HydrophobicContact CB-CE 3.93Å; K127-M131 WeakPolarHBondContact O-CB 3.25Å; K127-M131 WeakPolarHBondContact O-CE 3.42Å; K127-M131 WeakPolarHBondContact O-CG 3.44Å; K127-M131 PolarHBondContact O-N 3.43Å
128L52.9Low51Low109 Ų109117.5 Ų117.557%0.57159%0.586SS**Hα-helixtrans-63.3-44.4175.4-16870.9000110.5L124 A130 M131 T132L124-L128 VanDerWaalsContact O-CB 3.3Å; L124-L128 WeakPolarHBondContact O-CB 3.22Å; L124-L128 PolarHBondContact O-N 3.42Å; L128-A130 VanDerWaalsContact C-N 3.33Å; L128-A130 PolarHBondContact O-N 2.77Å; L128-M131 CarbonylContact O-C 3.55Å; L128-M131 PolarHBondContact O-N 2.9Å; L128-M131 VanDerWaalsContact O-N 3.11Å; L128-T132 WeakPolarHBondContact O-CG2 3.37Å; L128-T132 PolarHBondContact O-N 2.93Å; L128-T132 PolarHBondContact O-OG1 3.06Å
129R51.1Low50.9Low149 Ų149117.8 Ų117.856%0.56259%0.586SS**Hα-helixtrans-61.9-37.5173.9-80-169.2-93.7-141.97.3113.4R125 R126 M131 T132 L133R125-R129 WeakPolarHBondContact O-CB 3.29Å; R125-R129 WeakPolarHBondContact O-CG 3.18Å; R125-R129 PolarHBondContact O-N 3.42Å; R126-R129 PolarHBondContact O-N 3.21Å; R129-M131 VanDerWaalsContact C-N 3.32Å; R129-T132 VanDerWaalsContact CA-OG1 3.29Å; R129-T132 WeakPolarHBondContact CA-OG1 3.16Å; R129-T132 PolarHBondContact O-OG1 2.93Å; R129-L133 WeakPolarHBondContact O-CD1 3.14Å; R129-L133 PolarHBondContact O-N 3.31Å
130A54.1Low50.9Low61 Ų61117.7 Ų117.750%0.50459%0.593SS.*Hα-helixtrans-71-27.4174.900000112.8R126 K127 L128R126-A130 WeakPolarHBondContact O-CB 3.48Å; R126-A130 PolarHBondContact O-N 3.43Å; K127-A130 PolarHBondContact O-N 3.49Å; L128-A130 VanDerWaalsContact C-N 3.33Å; L128-A130 PolarHBondContact O-N 2.77Å
131M44.9Very low51.2Low127 Ų127117.5 Ų117.563%0.62660%0.596SS**Hα-helixtrans-80.4-34.2173.6-77.4-177.4-95.700112.4K127 L128 R129 L133 R134K127-M131 HydrophobicContact CB-CE 3.93Å; K127-M131 WeakPolarHBondContact O-CB 3.25Å; K127-M131 WeakPolarHBondContact O-CE 3.42Å; K127-M131 WeakPolarHBondContact O-CG 3.44Å; K127-M131 PolarHBondContact O-N 3.43Å; L128-M131 CarbonylContact O-C 3.55Å; L128-M131 PolarHBondContact O-N 2.9Å; L128-M131 VanDerWaalsContact O-N 3.11Å; R129-M131 VanDerWaalsContact C-N 3.32Å; M131-L133 VanDerWaalsContact C-N 3.29Å; M131-L133 PolarHBondContact O-N 2.92Å; M131-R134 PolarHBondContact O-N 3.33Å
132T48.5Very low51.1Low103 Ų103119 Ų11963%0.63260%0.601SS**Hα-helixtrans-73.5-18.4175.152.90000113.6L128 R129L128-T132 WeakPolarHBondContact O-CG2 3.37Å; L128-T132 PolarHBondContact O-N 2.93Å; L128-T132 PolarHBondContact O-OG1 3.06Å; R129-T132 VanDerWaalsContact CA-OG1 3.29Å; R129-T132 WeakPolarHBondContact CA-OG1 3.16Å; R129-T132 PolarHBondContact O-OG1 2.93Å
133L44.7Very low51.1Low146 Ų146117.4 Ų117.476%0.76460%0.603SS**THydrogen-bonded Turntrans-95.14.7173.8-100.1103.9000113.9R129 M131 P135R129-L133 WeakPolarHBondContact O-CD1 3.14Å; R129-L133 PolarHBondContact O-N 3.31Å; M131-L133 VanDerWaalsContact C-N 3.29Å; M131-L133 PolarHBondContact O-N 2.92Å; L133-P135 WeakPolarHBondContact O-CD 3.23Å
134R41Very low51.1Low199 Ų199118.4 Ų118.475%0.75161%0.609SS**SBendtrans-73.4120.7172.2-78.7-75.6175.2149.9-2.1108.6M131 K136M131-R134 PolarHBondContact O-N 3.33Å; R134-K136 PolarHBondContact O-N 2.83Å
135P41.8Very low51.1Low113 Ų113115.1 Ų115.173%0.73460%0.596SS**  trans-58.2134170.519.2-23.6000108.3L133 P137L133-P135 WeakPolarHBondContact O-CD 3.23Å; P135-P137 VanDerWaalsContact O-N 3.13Å
136K41.3Very low51Low178 Ų178111.3 Ų111.377%0.77459%0.59SS**  trans-38.8116.2175-172.3162.6177.7166.70108.8R134R134-K136 PolarHBondContact O-N 2.83Å
137P43.4Very low51Low102 Ų102113.1 Ų113.166%0.66260%0.597SS**  trans-59.6137.8175.324.5-31.1000107.4P135 S139P135-P137 VanDerWaalsContact O-N 3.13Å; P137-S139 PolarHBondContact O-N 3.26Å
138P45.3Very low51Low113 Ų113110.2 Ų110.273%0.73459%0.592SS**  trans-54.7111.9176.923.2-32.2000107V140P138-V140 PolarHBondContact O-N 3.49Å
139S49.3Very low51.3Low51 Ų51110 Ų11036%0.35759%0.591SS.*  trans-67.6133.3-169.9179.30000107.3P137 M141 E142P137-S139 PolarHBondContact O-N 3.26Å; S139-M141 PolarHBondContact O-N 2.96Å; S139-M141 WeakPolarHBondContact OG-CB 3.45Å; S139-M141 PolarHBondContact OG-N 3.16Å; S139-E142 WeakPolarHBondContact O-CB 3.38Å; S139-E142 PolarHBondContact O-N 3.48Å
140V54.2Low51.5Low120 Ų120107.9 Ų107.973%0.72759%0.591SS**Hα-helixtrans-50.2-25.1169.8-177.20000110.8P138 E142 A143 V144P138-V140 PolarHBondContact O-N 3.49Å; V140-E142 PolarHBondContact O-N 3.04Å; V140-A143 PolarHBondContact O-N 3.21Å; V140-V144 HydrophobicContact CG1-CG2 4.44Å; V140-V144 VanDerWaalsContact O-CG2 3.3Å; V140-V144 WeakPolarHBondContact O-CG2 3.07Å; V140-V144 PolarHBondContact O-N 3.45Å
141M57.5Low51.8Low145 Ų145110 Ų11071%0.71459%0.593SS**Hα-helixtrans-59-37.6170.7-159.186.2-173.100114S139 S145S139-M141 PolarHBondContact O-N 2.96Å; S139-M141 WeakPolarHBondContact OG-CB 3.45Å; S139-M141 PolarHBondContact OG-N 3.16Å; M141-S145 VanDerWaalsContact O-CB 3.24Å; M141-S145 WeakPolarHBondContact O-CB 3.34Å; M141-S145 PolarHBondContact O-N 3.33Å; M141-S145 PolarHBondContact O-OG 2.9Å
142E55.8Low52.5Low115 Ų115108.7 Ų108.754%0.53759%0.592SS.*Hα-helixtrans-70.6-40.3178.7-76.4174.4-178.900111.1S139 V140 S145 S146S139-E142 WeakPolarHBondContact O-CB 3.38Å; S139-E142 PolarHBondContact O-N 3.48Å; V140-E142 PolarHBondContact O-N 3.04Å; E142-S145 WeakPolarHBondContact CA-OG 3.42Å; E142-S145 PolarHBondContact O-N 2.7Å; E142-S145 PolarHBondContact O-OG 3.09Å; E142-S146 PolarHBondContact O-N 2.93Å; E142-S146 PolarHBondContact O-OG 3.5Å
143A56.3Low52.7Low55 Ų55107.4 Ų107.446%0.45559%0.587SS.*Hα-helixtrans-67.7-37.1175.100000112.6V140 S146 W147V140-A143 PolarHBondContact O-N 3.21Å; A143-S146 PolarHBondContact O-OG 3.26Å; A143-W147 WeakPolarHBondContact O-CB 3.47Å; A143-W147 VanDerWaalsContact O-CD1 3.26Å; A143-W147 PolarHBondContact O-N 3.22Å; A143-W147 VanDerWaalsContact O-N 3.1Å
144V61.4Low52.9Low75 Ų75103.6 Ų103.646%0.45557%0.572SS.*Hα-helixtrans-69.1-38172.7173.40000110.4V140 W147 C148V140-V144 HydrophobicContact CG1-CG2 4.44Å; V140-V144 VanDerWaalsContact O-CG2 3.3Å; V140-V144 WeakPolarHBondContact O-CG2 3.07Å; V140-V144 PolarHBondContact O-N 3.45Å; V144-W147 PolarHBondContact O-N 2.84Å; V144-C148 WeakPolarHBondContact O-CB 3.4Å; V144-C148 PolarHBondContact O-N 2.77Å; V144-C148 PolarHBondContact O-SG 2.91Å
145S57.6Low53.1Low53 Ų5395.9 Ų95.937%0.37155%0.551SS.*Hα-helixtrans-69.2-34.7177.474.60000113.2M141 E142 C148 N149M141-S145 VanDerWaalsContact O-CB 3.24Å; M141-S145 WeakPolarHBondContact O-CB 3.34Å; M141-S145 PolarHBondContact O-N 3.33Å; M141-S145 PolarHBondContact O-OG 2.9Å; E142-S145 WeakPolarHBondContact CA-OG 3.42Å; E142-S145 PolarHBondContact O-N 2.7Å; E142-S145 PolarHBondContact O-OG 3.09Å; S145-C148 PolarHBondContact O-N 3.34Å; S145-N149 WeakPolarHBondContact O-CB 3.24Å; S145-N149 PolarHBondContact O-N 2.79Å; S145-N149 PolarHBondContact O-ND2 2.87Å
146S56.8Low53.3Low51 Ų5197.6 Ų97.636%0.35755%0.549SS..Hα-helixtrans-69-43.217464.40000110.7E142 A143 C148 N149 D150E142-S146 PolarHBondContact O-N 2.93Å; E142-S146 PolarHBondContact O-OG 3.5Å; A143-S146 PolarHBondContact O-OG 3.26Å; S146-C148 PolarHBondContact O-N 3.37Å; S146-N149 PolarHBondContact O-N 3.45Å; S146-D150 WeakPolarHBondContact O-CB 3.18Å; S146-D150 VanDerWaalsContact O-CG 3.22Å; S146-D150 PolarHBondContact O-N 3.23Å
147W58.2Low53.4Low184 Ų18493.5 Ų93.570%0.69754%0.543SS*.Hα-helixtrans-62.3-40.3173.7-85.348.6000112.6A143 V144 D150 I151A143-W147 WeakPolarHBondContact O-CB 3.47Å; A143-W147 VanDerWaalsContact O-CD1 3.26Å; A143-W147 PolarHBondContact O-N 3.22Å; A143-W147 VanDerWaalsContact O-N 3.1Å; V144-W147 PolarHBondContact O-N 2.84Å; W147-D150 PolarHBondContact O-N 3.45Å; W147-I151 WeakPolarHBondContact O-CB 3.11Å; W147-I151 WeakPolarHBondContact O-CD1 3.45Å; W147-I151 WeakPolarHBondContact O-CG1 3.3Å; W147-I151 PolarHBondContact O-N 2.92Å
148C55.9Low53.4Low65 Ų6596 Ų9644%0.43954%0.544SS..Hα-helixtrans-66.2-39.9175.3-73.90000111.9V144 S145 S146 I151 V152V144-C148 WeakPolarHBondContact O-CB 3.4Å; V144-C148 PolarHBondContact O-N 2.77Å; V144-C148 PolarHBondContact O-SG 2.91Å; S145-C148 PolarHBondContact O-N 3.34Å; S146-C148 PolarHBondContact O-N 3.37Å; C148-I151 PolarHBondContact O-N 3.11Å; C148-V152 VanDerWaalsContact O-CB 3.26Å; C148-V152 WeakPolarHBondContact O-CB 3.32Å; C148-V152 WeakPolarHBondContact O-CG2 3.24Å; C148-V152 PolarHBondContact O-N 3.05Å
149N58.9Low53.1Low106 Ų10697.2 Ų97.257%0.56754%0.543SS*.Hα-helixtrans-66-38.4174.6-81.2-49.4000111.9S145 S146 S153S145-N149 WeakPolarHBondContact O-CB 3.24Å; S145-N149 PolarHBondContact O-N 2.79Å; S145-N149 PolarHBondContact O-ND2 2.87Å; S146-N149 PolarHBondContact O-N 3.45Å; N149-S153 WeakPolarHBondContact O-CB 3.46Å; N149-S153 PolarHBondContact O-N 2.79Å
150D54.8Low52.8Low103 Ų10399 Ų9955%0.55156%0.555SS**Hα-helixtrans-69.2-36.8177.2-68.3-22.4000111.9S146 W147 S154S146-D150 WeakPolarHBondContact O-CB 3.18Å; S146-D150 VanDerWaalsContact O-CG 3.22Å; S146-D150 PolarHBondContact O-N 3.23Å; W147-D150 PolarHBondContact O-N 3.45Å; D150-S154 WeakPolarHBondContact O-CB 3.38Å; D150-S154 PolarHBondContact O-N 3.41Å; D150-S154 PolarHBondContact O-OG 3.18Å
151I60.1Low52.2Low107 Ų10797.4 Ų97.455%0.54955%0.549SS..Hα-helixtrans-73.1-40.2175.7-68164.9000111.3W147 C148 S154 A155W147-I151 WeakPolarHBondContact O-CB 3.11Å; W147-I151 WeakPolarHBondContact O-CD1 3.45Å; W147-I151 WeakPolarHBondContact O-CG1 3.3Å; W147-I151 PolarHBondContact O-N 2.92Å; C148-I151 PolarHBondContact O-N 3.11Å; I151-S154 CarbonylContact O-C 3.59Å; I151-S154 PolarHBondContact O-N 3.49Å; I151-A155 VanDerWaalsContact O-CB 3.27Å; I151-A155 WeakPolarHBondContact O-CB 3.47Å; I151-A155 PolarHBondContact O-N 2.8Å
152V59.7Low51.7Low99 Ų9994 Ų9460%0.654%0.537SS*.Hα-helixtrans-67.8-41.9176167.70000110.9C148 S154 A155 Q156C148-V152 VanDerWaalsContact O-CB 3.26Å; C148-V152 WeakPolarHBondContact O-CB 3.32Å; C148-V152 WeakPolarHBondContact O-CG2 3.24Å; C148-V152 PolarHBondContact O-N 3.05Å; V152-S154 VanDerWaalsContact C-N 3.32Å; V152-S154 PolarHBondContact O-N 2.87Å; V152-A155 PolarHBondContact O-N 3.31Å; V152-Q156 PolarHBondContact O-N 2.88Å
153S53.2Low51.1Low75 Ų7597.1 Ų97.152%0.52454%0.544SS..Hα-helixtrans-61.7-40171.9-176.80000111.4N149 Q156N149-S153 WeakPolarHBondContact O-CB 3.46Å; N149-S153 PolarHBondContact O-N 2.79Å; S153-Q156 WeakPolarHBondContact O-CB 3.39Å; S153-Q156 PolarHBondContact O-N 2.98Å
154S47.7Very low50.6Low66 Ų6697.5 Ų97.546%0.46254%0.541SS..Hα-helixtrans-70.4-35.2174.6-61.60000112.8D150 I151 V152 S157 F158D150-S154 WeakPolarHBondContact O-CB 3.38Å; D150-S154 PolarHBondContact O-N 3.41Å; D150-S154 PolarHBondContact O-OG 3.18Å; I151-S154 CarbonylContact O-C 3.59Å; I151-S154 PolarHBondContact O-N 3.49Å; V152-S154 VanDerWaalsContact C-N 3.32Å; V152-S154 PolarHBondContact O-N 2.87Å; S154-S157 WeakPolarHBondContact O-CB 3.19Å; S154-S157 PolarHBondContact O-N 3.27Å; S154-S157 VanDerWaalsContact O-N 3.16Å; S154-F158 VanDerWaalsContact O-CD2 3.22Å; S154-F158 WeakPolarHBondContact O-CD2 3.24Å; S154-F158 PolarHBondContact O-N 2.84Å
155A45.7Very low49.6Very low37 Ų3799.8 Ų99.831%0.30655%0.545SS..Hα-helixtrans-71.4-29.5177.200000112.4I151 V152 S157 F158 I159I151-A155 VanDerWaalsContact O-CB 3.27Å; I151-A155 WeakPolarHBondContact O-CB 3.47Å; I151-A155 PolarHBondContact O-N 2.8Å; V152-A155 PolarHBondContact O-N 3.31Å; A155-S157 PolarHBondContact O-N 3.04Å; A155-F158 PolarHBondContact O-N 2.82Å; A155-I159 HydrophobicContact CB-CD1 4.44Å; A155-I159 WeakPolarHBondContact O-CD1 3.42Å; A155-I159 VanDerWaalsContact O-CG1 3.29Å; A155-I159 WeakPolarHBondContact O-CG1 3.36Å; A155-I159 PolarHBondContact O-N 3.23Å
156Q46.2Very low48.8Very low149 Ų149104.5 Ų104.570%0.69656%0.555SS**Hα-helixtrans-58.5-31.2169.4-165-178.3-1.900111.6V152 S153V152-Q156 PolarHBondContact O-N 2.88Å; S153-Q156 WeakPolarHBondContact O-CB 3.39Å; S153-Q156 PolarHBondContact O-N 2.98Å
157S42.4Very low48.6Very low92 Ų92107 Ų10764%0.64356%0.564SS**THydrogen-bonded Turntrans-77.5-18.4173.4-169.80000114.2S154 A155S154-S157 WeakPolarHBondContact O-CB 3.19Å; S154-S157 PolarHBondContact O-N 3.27Å; S154-S157 VanDerWaalsContact O-N 3.16Å; A155-S157 PolarHBondContact O-N 3.04Å
158F44.4Very low48Very low155 Ų155105 Ų10568%0.6856%0.562SS**THydrogen-bonded Turntrans-102-19.4-179.6-74.4-69.3000114.1S154 A155 S160 S161S154-F158 VanDerWaalsContact O-CD2 3.22Å; S154-F158 WeakPolarHBondContact O-CD2 3.24Å; S154-F158 PolarHBondContact O-N 2.84Å; A155-F158 PolarHBondContact O-N 2.82Å; F158-S160 VanDerWaalsContact C-N 3.27Å; F158-S161 PolarHBondContact O-OG 3.43Å
159I39.5Very low48Very low139 Ų139104.6 Ų104.671%0.71356%0.564SS**THydrogen-bonded Turntrans-78.7-12.5174.7-62.5160.7000111.8A155 S161A155-I159 HydrophobicContact CB-CD1 4.44Å; A155-I159 WeakPolarHBondContact O-CD1 3.42Å; A155-I159 VanDerWaalsContact O-CG1 3.29Å; A155-I159 WeakPolarHBondContact O-CG1 3.36Å; A155-I159 PolarHBondContact O-N 3.23Å; I159-S161 PolarHBondContact O-N 2.92Å
160S42.7Very low47.6Very low87 Ų87108.3 Ų108.361%0.60858%0.584SS**THydrogen-bonded Turntrans-74.221.8167.6-171.60000113.6F158 T162F158-S160 VanDerWaalsContact C-N 3.27Å; S160-T162 VanDerWaalsContact C-N 3.34Å; S160-T162 PolarHBondContact O-N 3.44Å
161S42Very low47.8Very low88 Ų88109 Ų10962%0.61559%0.588SS**  trans-7490.5175-68.60000109.3F158 I159 W163F158-S161 PolarHBondContact O-OG 3.43Å; I159-S161 PolarHBondContact O-N 2.92Å; S161-W163 PolarHBondContact O-N 3.49Å
162T46.5Very low47.5Very low73 Ų73106.8 Ų106.845%0.44859%0.591SS.*  trans-63.7102.9164.5-51.10000106.5S160 T164S160-T162 VanDerWaalsContact C-N 3.34Å; S160-T162 PolarHBondContact O-N 3.44Å; T162-T164 HydrophobicContact CG2-CG2 4.28Å; T162-T164 PolarHBondContact O-N 2.91Å
163W43.4Very low46.8Very low181 Ų181109 Ų10969%0.68659%0.592SS**  trans-81.9118.3175.360.4-81.3000107.8S161S161-W163 PolarHBondContact O-N 3.49Å
164T45.6Very low46.5Very low63 Ų63108.9 Ų108.939%0.38759%0.588SS.*EExtended strand (participates in β ladder)trans-112.2122.5172.846.70000107.8T162T162-T164 HydrophobicContact CG2-CG2 4.28Å; T162-T164 PolarHBondContact O-N 2.91Å
165F40.1Very low46.7Very low123 Ų123109 Ų10954%0.53959%0.586SS.*EExtended strand (participates in β ladder)trans-111.7128.8176.4-163.3-81.9000109.4L167F165-L167 HydrophobicContact CD1-CD1 4.3Å; F165-L167 HydrophobicContact CD1-CD2 4.25Å; F165-L167 HydrophobicContact CD1-CG 3.69Å; F165-L167 HydrophobicContact CE1-CD1 4.48Å; F165-L167 HydrophobicContact CE1-CD2 3.65Å; F165-L167 HydrophobicContact CE1-CG 3.61Å
166Y41.1Very low46.8Very low151 Ų151111 Ų11159%0.59259%0.594SS**EExtended strand (participates in β ladder)trans-97.3105.9176.6-62.7-87.9000108.5V174 V176Y166-V174 HydrophobicContact CD1-CG1 3.98Å; Y166-V176 HydrophobicContact CD1-CG2 3.97Å; Y166-V176 HydrophobicContact CE1-CG1 4.29Å; Y166-V176 HydrophobicContact CE1-CG2 3.81Å
167L53.1Low47.1Very low103 Ų103109.9 Ų109.954%0.53959%0.587SS.*EExtended strand (participates in β ladder)trans-92.8114167.6-79.5157.4000107.6F165 V175F165-L167 HydrophobicContact CD1-CD1 4.3Å; F165-L167 HydrophobicContact CD1-CD2 4.25Å; F165-L167 HydrophobicContact CD1-CG 3.69Å; F165-L167 HydrophobicContact CE1-CD1 4.48Å; F165-L167 HydrophobicContact CE1-CD2 3.65Å; F165-L167 HydrophobicContact CE1-CG 3.61Å; L167-V175 PolarHBondContact O-N 2.96Å
168Q44.9Very low47Very low143 Ų143111.7 Ų111.767%0.66859%0.586SS**EExtended strand (participates in β ladder)trans-95.9108.6167.3-164.9169.232.300106.5V174Q168-V174 HydrophobicContact CG-CG2 4.25Å
169A55.1Low47.4Very low57 Ų57106.6 Ų106.647%0.47157%0.569SS.*  trans-79.3156.3169.300000109.1D171 G172A169-D171 WeakPolarHBondContact CB-OD1 3.42Å; A169-D171 PolarHBondContact O-N 3.39Å; A169-G172 PolarHBondContact O-N 2.87Å; A169-G172 VanDerWaalsContact O-N 3.13Å
170D51.6Low47.3Very low184 Ų184107.5 Ų107.598%0.98457%0.57SS**THydrogen-bonded Turntrans-62.34.3-172.4-61.3-42.9000115
171D58.8Low47.2Very low118 Ų118108.2 Ų108.263%0.63157%0.573SS**THydrogen-bonded Turntrans-97.64.7175.965.7-12.3000113.7A169 K173A169-D171 WeakPolarHBondContact CB-OD1 3.42Å; A169-D171 PolarHBondContact O-N 3.39Å; D171-K173 PolarHBondContact O-N 3.1Å; D171-K173 PolarHBondContact OD1-N 3.4Å
172G53Low46.8Very low59 Ų59113.2 Ų113.261%0.60859%0.586SS**SBendtrans767.8177.300000114.2A169A169-G172 PolarHBondContact O-N 2.87Å; A169-G172 VanDerWaalsContact O-N 3.13Å
173K44.8Very low46.7Very low146 Ų146116.4 Ų116.464%0.63560%0.598SS**PPolyproline II helixtrans-96.3119.1176.9-166.2177.5179.4-175.60110.3D171D171-K173 PolarHBondContact O-N 3.1Å; D171-K173 PolarHBondContact OD1-N 3.4Å
174V48.4Very low46Very low73 Ų73116.6 Ų116.644%0.44261%0.606SS.*EExtended strand (participates in β ladder)trans-88.5121.3176.6-178.30000109Y166 Q168 V176Y166-V174 HydrophobicContact CD1-CG1 3.98Å; Q168-V174 HydrophobicContact CG-CG2 4.25Å; V174-V176 HydrophobicContact CG1-CG2 4.27Å
175V51.9Low45.6Very low67 Ų67122 Ų12241%0.40662%0.621SS.*EExtended strand (participates in β ladder)trans-102.5120.2172.4-172.70000108.4L167 F177L167-V175 PolarHBondContact O-N 2.96Å; V175-F177 HydrophobicContact CB-CE2 4.01Å; V175-F177 HydrophobicContact CG1-CD2 4.04Å; V175-F177 HydrophobicContact CG1-CE1 4.28Å; V175-F177 HydrophobicContact CG1-CE2 3.4Å; V175-F177 HydrophobicContact CG1-CZ 3.55Å
176V48.3Very low45.2Very low80 Ų80121.4 Ų121.449%0.48563%0.632SS.*EExtended strand (participates in β ladder)trans-98.5113.2178.9-1760000108.6Y166 V174Y166-V176 HydrophobicContact CD1-CG2 3.97Å; Y166-V176 HydrophobicContact CE1-CG1 4.29Å; Y166-V176 HydrophobicContact CE1-CG2 3.81Å; V174-V176 HydrophobicContact CG1-CG2 4.27Å
177F51Low44.6Very low125 Ų125120.6 Ų120.655%0.54864%0.636SS.*EExtended strand (participates in β ladder)trans-94.9109.9170.2-66.2-83.9000108.6V175V175-F177 HydrophobicContact CB-CE2 4.01Å; V175-F177 HydrophobicContact CG1-CD2 4.04Å; V175-F177 HydrophobicContact CG1-CE1 4.28Å; V175-F177 HydrophobicContact CG1-CE2 3.4Å; V175-F177 HydrophobicContact CG1-CZ 3.55Å
178Q40.2Very low43.9Very low131 Ų131121.2 Ų121.261%0.61265%0.645SS**EExtended strand (participates in β ladder)trans-106.6109.9176.9-177.5-177.268.100108.5
179S52.4Low43.3Very low48 Ų48121.1 Ų121.134%0.33665%0.645SS.*  trans-84113.3168.7610000109.1
180Q38.2Very low42.7Very low158 Ų158126.8 Ų126.874%0.73867%0.666SS**  trans-84.4131.3165.6-68.2-165.633.200109.3E182Q180-E182 PolarHBondContact O-N 2.89Å
181P41.5Very low41.7Very low101 Ų101125.7 Ų125.766%0.65666%0.655SS**  trans-80.2103.3168.930.6-28.9000108.8M183P181-M183 PolarHBondContact O-N 2.96Å; P181-M183 VanDerWaalsContact O-N 3.11Å
182E32.8Very low40.2Very low193 Ų193124.3 Ų124.390%0.90266%0.661SS**  trans-78.590.8165.8-163.5167.3-160.700107.7Q180 E184Q180-E182 PolarHBondContact O-N 2.89Å; E182-E184 PolarHBondContact O-N 2.67Å
183M43.8Very low39.7Very low140 Ų140127 Ų12769%0.6967%0.668SS**  trans-8494.8172.2-174.4-17772.900108P181 Y185P181-M183 PolarHBondContact O-N 2.96Å; P181-M183 VanDerWaalsContact O-N 3.11Å; M183-Y185 HydrophobicContact CE-CD2 3.9Å; M183-Y185 PolarHBondContact O-N 2.73Å
184E30.1Very low39.1Very low185 Ų185131.6 Ų131.686%0.86468%0.681SS**  trans-68.295.5170-166.2169.4-164.900108.8E182 S186E182-E184 PolarHBondContact O-N 2.67Å; E184-S186 PolarHBondContact O-N 3.36Å
185Y36.4Very low38.3Very low176 Ų176133.2 Ų133.269%0.6970%0.695SS**  trans-85.593.1175.3-161.1-92.9000108.4M183 M187M183-Y185 HydrophobicContact CE-CD2 3.9Å; M183-Y185 PolarHBondContact O-N 2.73Å; Y185-M187 VanDerWaalsContact C-N 3.33Å; Y185-M187 HydrophobicContact CD1-CB 4.14Å; Y185-M187 HydrophobicContact CE1-CB 4.38Å; Y185-M187 HydrophobicContact CE1-CG 4.34Å; Y185-M187 PolarHBondContact O-N 3.32Å
186S31.4Very low37.1Very low111 Ų111135.2 Ų135.278%0.77671%0.712SS**  trans-70.991.5170.651.20000109.4E184E184-S186 PolarHBondContact O-N 3.36Å
187M28.8Very low36.3Very low135 Ų135138.2 Ų138.267%0.66573%0.73SS**  trans-74.3129.3175.5-160.3-177.5108.300110Y185 E189Y185-M187 VanDerWaalsContact C-N 3.33Å; Y185-M187 HydrophobicContact CD1-CB 4.14Å; Y185-M187 HydrophobicContact CE1-CB 4.38Å; Y185-M187 HydrophobicContact CE1-CG 4.34Å; Y185-M187 PolarHBondContact O-N 3.32Å; M187-E189 PolarHBondContact O-N 2.87Å
188P38.2Very low35.5Very low115 Ų115136.8 Ų136.875%0.74774%0.742SS**  trans-68.8113.2169.1-16.730.6000109.4L190P188-L190 PolarHBondContact O-N 3.46Å
189E33.3Very low35Very low142 Ų142136.2 Ų136.266%0.66474%0.743SS**  trans-68.3100.9-176.6-166.9154.3161.300111.2M187 Q191M187-E189 PolarHBondContact O-N 2.87Å; E189-Q191 VanDerWaalsContact C-N 3.25Å; E189-Q191 HydrophobicContact CG-CB 4.17Å; E189-Q191 HydrophobicContact CG-CG 3.89Å; E189-Q191 PolarHBondContact O-N 3.47Å; E189-Q191 PolarHBondContact OE1-NE2 2.77Å
190L41.7Very low34.1Very low175 Ų175141.9 Ų141.992%0.91676%0.762SS**  trans-66.385.9160.6-98.6155.8000108.4P188P188-L190 PolarHBondContact O-N 3.46Å
191Q30Very low33.9Very low161 Ų161140 Ų14075%0.75276%0.763SS**  trans-100.3104.7176.7-118.5-169.93300111.6E189E189-Q191 VanDerWaalsContact C-N 3.25Å; E189-Q191 HydrophobicContact CG-CB 4.17Å; E189-Q191 HydrophobicContact CG-CG 3.89Å; E189-Q191 PolarHBondContact O-N 3.47Å; E189-Q191 PolarHBondContact OE1-NE2 2.77Å
192A27.8Very low33.6Very low90 Ų90147.1 Ų147.174%0.74478%0.777SS**  trans-167.6161.5144.300000107.9
193P43.3Very low33.7Very low116 Ų116143.4 Ų143.475%0.75377%0.77SS**  cis-140.1132.8-4030.3-13.9000112.7
194R31.6Very low33.2Very low242 Ų242144.1 Ų144.191%0.91377%0.771SS**  trans-158.3107.7158.5-74.5-154.4162.7142.7-2.4113
195S30.3Very low33.1Very low106 Ų106141.2 Ų141.274%0.74177%0.766SS**  46.8120.2115.169.60000116.2
196S28.1Very low32.7Very low109 Ų109139.8 Ų139.876%0.76277%0.765SS**  -176.1134.66543.30000112.6
197V31.8Very low32.6Very low143 Ų143139.9 Ų139.987%0.86777%0.766SS**  trans54.2109.2136.4-170.50000120.6
198A33.6Very low32.7Very low96 Ų96141.6 Ų141.679%0.79377%0.772SS**  -177.495.712200000112.5
199D28.9Very low32.4Very low118 Ų118141.6 Ų141.663%0.63177%0.77SS**  trans26.7114.8137.5-94.5-32.4000124
200K34.4Very low32.2Very low168 Ų168143.1 Ų143.173%0.7378%0.777SS**  trans65.5163.8132.6-54.1150.5175.9143.90120.6
201P33.2Very low31.8Very low119 Ų119145.8 Ų145.877%0.77378%0.775SS**  -128162.7-51.735.3-18.4000113.1
202W36.2Very low32.1Very low249 Ų249144 Ų14494%0.94378%0.778SS**  trans-52.5150.2179-60.788.3000116.3
203P34Very low32.3Very low115 Ų115148.6 Ų148.675%0.74778%0.783SS**  trans-106.7108.7146.83.616.6000111.3
204Q34.9Very low31.5Very low155 Ų155146.2 Ų146.272%0.72478%0.78SS**  trans-70.2115.9155.5176.9179.83.500108.2H206Q204-H206 PolarHBondContact NE2-CD2 3.29Å; Q204-H206 PolarHBondContact NE2-NE2 2.94Å
205V27.6Very low31.5Very low125 Ų125141.4 Ų141.476%0.75878%0.777SS**  trans-115.3103.2166.1179.40000108.3
206H28.6Very low31.5Very low145 Ų145146.3 Ų146.367%0.67179%0.785SS**  trans-70.2138.5163.2-78.3-78.9000110Q204Q204-H206 PolarHBondContact NE2-CD2 3.29Å; Q204-H206 PolarHBondContact NE2-NE2 2.94Å
207S28Very low31.6Very low114 Ų114144.3 Ų144.380%0.79778%0.781SS**  trans-135.998.8154.6-42.10000108.3
208H31.2Very low31.5Very low171 Ų171149.8 Ų149.879%0.79279%0.787SS**  trans-84119.7175.3165.4-74.7000109.6
209T31.4Very low31.3Very low115 Ų115148.7 Ų148.771%0.70678%0.784SS**  trans179.9131.9151.82.20000106.7
210Q30.2Very low31.4Very low173 Ų173150.4 Ų150.481%0.80879%0.793SS**  cis-153144.813.9-75.3169.3-13.700108.3
211R32.6Very low31.4Very low232 Ų232153.6 Ų153.688%0.87580%0.801SS**  trans-99.6154.9152.1-90.7-156-91.3-168.9-7.8108.6
212P36.7Very low31.2Very low123 Ų123151.8 Ų151.880%0.79980%0.804SS**  trans-119.5141.5132.92.917.7000112.9
213H30.7Very low31.1Very low187 Ų187145.3 Ų145.387%0.86680%0.803SS**  trans-50.4162.8167.9-61.4-93.5000113.1
214G28Very low30.9Very low66 Ų66143.6 Ų143.668%0.6881%0.807SS**  cis149.7-179.117.800000108.6
215V31.9Very low30.8Very low141 Ų141146.2 Ų146.286%0.85582%0.816SS**  trans111.996.5170.2179.70000113.2
216K28.9Very low30.9Very low208 Ų208145.7 Ų145.790%0.90482%0.817SS**  95.5127.382.5-165.5172.5-176.5175.60110.1
217G29.8Very low31.2Very low67 Ų67143.6 Ų143.669%0.69183%0.826SS**  cis169.1-1773.600000109.3
218R31.2Very low31.6Very low259 Ų259145.9 Ų145.998%0.97783%0.827SS**  trans87.6117.5167.1-143.1177.2-164.7-129.72.1115.2
219G29.9Very low31.7Very low72 Ų72147 Ų14774%0.74283%0.83SS**  cis110.5100.710.700000111.1
220D30.3Very low31.7Very low154 Ų154144.9 Ų144.982%0.82483%0.83SS**  -177161.6126.4-155.111.6000112.9
221R34.9Very low31.6Very low236 Ų236145.8 Ų145.889%0.89183%0.832SS**  trans-95164.6-154.2-59.6160.9175.8-175.1-0.9114.6
222G28.5Very low31.6Very low80 Ų80145.8 Ų145.883%0.82583%0.832SS**  trans177.688.8158.100000114.1
223A32.8Very low31.6Very low113 Ų113145.7 Ų145.793%0.93483%0.831SS**  trans-76.7141.7178.200000112.8
224G30.9Very low31.8Very low80 Ų80142.4 Ų142.483%0.82582%0.824SS**  trans-154.9109.2171.100000111.5
225K31.7Very low32.2Very low209 Ų209148 Ų14891%0.90983%0.833SS**  trans-63.2142.5-173.1-60.6160.4175.9177.80113.5
226S31.5Very low32.2Very low114 Ų114148.4 Ų148.480%0.79783%0.825SS**  177.2126.411454.10000111.3
227A33.6Very low32.5Very low102 Ų102143.2 Ų143.284%0.84382%0.82SS**  trans-82123.3168.900000108.7
228I37.5Very low32.8Very low162 Ų162147.4 Ų147.483%0.83182%0.822SS**  trans-132117153.6-63.6-177.2000109
229K33.3Very low32.8Very low194 Ų194141 Ų14184%0.84381%0.808SS**  trans-63.4115.1174.3178.5166.6177.9171.70110
230G30.4Very low33Very low70 Ų70142 Ų14272%0.72281%0.809SS**  trans-137.5103.1170.600000109.7R232G230-R232 PolarHBondContact O-N 3.43Å
231K28.2Very low33.3Very low192 Ų192138.2 Ų138.284%0.83580%0.798SS**  trans-59.5121.1177.5-69.5175.1172.6-171.80109.6P233K231-P233 WeakPolarHBondContact O-CD 3.28Å
232R32.9Very low33.7Very low233 Ų233130 Ų13088%0.87978%0.781SS**  trans-82.4116.2161.6-66.2179.9178.7179.8-1.6107.6G230 V234G230-R232 PolarHBondContact O-N 3.43Å; R232-V234 PolarHBondContact O-N 3.4Å
233P36.1Very low34.2Very low121 Ų121132.1 Ų132.179%0.78677%0.773SS**  trans-71.8113159.728-27000107.6K231 Q235K231-P233 WeakPolarHBondContact O-CD 3.28Å; P233-Q235 PolarHBondContact O-N 3Å
234V35.1Very low34.9Very low117 Ų117134.3 Ų134.371%0.70976%0.764SS**  trans-39114.1164.8164.90000110.1R232 H236R232-V234 PolarHBondContact O-N 3.4Å; V234-H236 VanDerWaalsContact C-N 3.34Å; V234-H236 HydrophobicContact CG1-CB 3.57Å; V234-H236 PolarHBondContact O-N 2.96Å
235Q35.8Very low36.4Very low185 Ų185134 Ų13486%0.86474%0.743SS**  trans-65.298.3159.2-76.5176.2-51.300106.7P233P233-Q235 PolarHBondContact O-N 3Å
236H33.9Very low37.7Very low148 Ų148131.9 Ų131.969%0.68574%0.735SS**  trans-144.768.8169.8-153.6-21.7000107.3V234V234-H236 VanDerWaalsContact C-N 3.34Å; V234-H236 HydrophobicContact CG1-CB 3.57Å; V234-H236 PolarHBondContact O-N 2.96Å
237A33.6Very low39.1Very low99 Ų99129.4 Ų129.482%0.81871%0.712SS**SBendtrans-152.224.217300000112
238E35.7Very low40.2Very low155 Ų155124.7 Ų124.772%0.72467%0.674SS**SBendtrans-12511.3179.9-65.4-158.6114.600114.3
239D32.5Very low41.1Very low126 Ų126121.4 Ų121.467%0.67466%0.664SS**SBendtrans-101.21.4-177.2-79-46.8000115
240A33.8Very low42.1Very low93 Ų93117.9 Ų117.977%0.76965%0.652SS**SBendtrans-103.4-10.6177.400000114.2
241A36.7Very low43.3Very low73 Ų73115.2 Ų115.260%0.60362%0.622SS**SBendtrans-99.1-10.5179.700000113.3
242A42.8Very low44.7Very low64 Ų64116.4 Ų116.453%0.52962%0.621SS.*G310 helixtrans-76.9-25.4-175.300000113.5H244A242-H244 VanDerWaalsContact C-N 3.29Å; A242-H244 PolarHBondContact O-N 2.75Å
243D39.1Very low45.9Very low124 Ų124116.4 Ų116.466%0.66362%0.621SS**G310 helixtrans-77.8-6.8-174.4-81.5-27.3000114.8F246D243-F246 WeakPolarHBondContact O-CE2 3.2Å
244H48.9Very low47Very low159 Ų159114 Ų11474%0.73661%0.607SS**G310 helixtrans-110.46.9178.5-67.1-50.6000114.6A242 F246A242-H244 VanDerWaalsContact C-N 3.29Å; A242-H244 PolarHBondContact O-N 2.75Å; H244-F246 PolarHBondContact O-N 3.25Å
245D61.4Low48.1Very low73 Ų73111.8 Ų111.839%0.3961%0.608SS.*THydrogen-bonded Turntrans-93.929.4-172.7-102.87.8000114.2L247 G248 C249 R258D245-L247 PolarHBondContact O-N 3.25Å; D245-G248 CarbonylContact O-C 3.55Å; D245-G248 VanDerWaalsContact O-CA 3.29Å; D245-G248 WeakPolarHBondContact O-CA 3.43Å; D245-G248 PolarHBondContact O-N 3.07Å; D245-C249 PolarHBondContact O-N 3.31Å; D245-R258 IonicContact OD2-NH2 3.78Å
246F59.4Low49.3Very low165 Ų165106.9 Ų106.972%0.72459%0.588SS**Hα-helixtrans-57.6-38.2171.8-70.4-80.3000112.1D243 H244 G248 C249 M250D243-F246 WeakPolarHBondContact O-CE2 3.2Å; H244-F246 PolarHBondContact O-N 3.25Å; F246-G248 VanDerWaalsContact C-N 3.3Å; F246-C249 PolarHBondContact O-N 2.88Å; F246-M250 WeakPolarHBondContact O-CG 3.29Å; F246-M250 PolarHBondContact O-N 3.17Å; F246-M250 VanDerWaalsContact O-N 3.11Å
247L60.3Low51.3Low63 Ų63102.8 Ų102.833%0.3357%0.574SS.*Hα-helixtrans-68-31.9172.8-68.4166.9000111.6D245 S251 L261 A262 L265D245-L247 PolarHBondContact O-N 3.25Å; L247-S251 VanDerWaalsContact O-CB 3.23Å; L247-S251 WeakPolarHBondContact O-CB 3.42Å; L247-S251 PolarHBondContact O-N 3.34Å; L247-S251 PolarHBondContact O-OG 3.42Å; L247-L261 HydrophobicContact CD2-CB 4.31Å; L247-A262 HydrophobicContact CD1-CB 4.24Å; L247-L265 HydrophobicContact CD2-CD1 4.43Å
248G56.8Low53Low3 Ų3104.2 Ų104.23%0.03156%0.558CS.*Hα-helixtrans-64.6-44.6172.500000112.3D245 F246 S251 R252D245-G248 CarbonylContact O-C 3.55Å; D245-G248 VanDerWaalsContact O-CA 3.29Å; D245-G248 WeakPolarHBondContact O-CA 3.43Å; D245-G248 PolarHBondContact O-N 3.07Å; F246-G248 VanDerWaalsContact C-N 3.3Å; G248-S251 WeakPolarHBondContact CA-OG 3.49Å; G248-S251 PolarHBondContact O-N 3.32Å; G248-S251 PolarHBondContact O-OG 3.34Å; G248-R252 PolarHBondContact O-N 3.35Å; G248-R252 VanDerWaalsContact O-N 3.11Å
249C55.9Low55Low92 Ų92105.5 Ų105.562%0.62256%0.556SS**Hα-helixtrans-64.9-41.7177.2-68.40000112.4D245 F246 R252 R253D245-C249 PolarHBondContact O-N 3.31Å; F246-C249 PolarHBondContact O-N 2.88Å; C249-R252 PolarHBondContact O-N 3Å; C249-R253 PolarHBondContact O-N 3.25Å
250M55Low57.3Low121 Ų121102.4 Ų102.460%0.59654%0.539SS*.Hα-helixtrans-68.6-36.4174.6-66.7-117.8-10500112.2F246 R252 R253 S254 L261F246-M250 WeakPolarHBondContact O-CG 3.29Å; F246-M250 PolarHBondContact O-N 3.17Å; F246-M250 VanDerWaalsContact O-N 3.11Å; M250-R252 VanDerWaalsContact C-N 3.33Å; M250-R252 PolarHBondContact O-N 3.32Å; M250-R253 PolarHBondContact O-N 3.49Å; M250-S254 PolarHBondContact O-N 3.31Å; M250-S254 PolarHBondContact O-OG 3.23Å; M250-L261 HydrophobicContact CB-CD1 4.04Å
251S56Low59.3Low13 Ų1399.6 Ų99.69%0.09151%0.511CS..Hα-helixtrans-62-38.7176.574.50000112.8L247 G248 R253 S254 G255 L256 L261L247-S251 VanDerWaalsContact O-CB 3.23Å; L247-S251 WeakPolarHBondContact O-CB 3.42Å; L247-S251 PolarHBondContact O-N 3.34Å; L247-S251 PolarHBondContact O-OG 3.42Å; G248-S251 WeakPolarHBondContact CA-OG 3.49Å; G248-S251 PolarHBondContact O-N 3.32Å; G248-S251 PolarHBondContact O-OG 3.34Å; S251-R253 VanDerWaalsContact C-N 3.29Å; S251-R253 PolarHBondContact O-N 3.17Å; S251-S254 PolarHBondContact O-N 3.29Å; S251-G255 PolarHBondContact O-N 3.05Å; S251-L256 VanDerWaalsContact CB-O 3.28Å; S251-L256 WeakPolarHBondContact CB-O 3.3Å; S251-L261 VanDerWaalsContact CA-CD1 3.47Å
252R57.3Low61.2Low217 Ų21798 Ų9882%0.81950%0.498SS*.Hα-helixtrans-67-28.9176.7-77.1-175.6177.4-170.41.2113G248 C249 M250G248-R252 PolarHBondContact O-N 3.35Å; G248-R252 VanDerWaalsContact O-N 3.11Å; C249-R252 PolarHBondContact O-N 3Å; M250-R252 VanDerWaalsContact C-N 3.33Å; M250-R252 PolarHBondContact O-N 3.32Å
253R56.8Low63Low233 Ų23397 Ų9788%0.87949%0.49SS*.Hα-helixtrans-82.8-30.1178.6-154174.6-162.8172.14.2112.7C249 M250 S251C249-R253 PolarHBondContact O-N 3.25Å; M250-R253 PolarHBondContact O-N 3.49Å; S251-R253 VanDerWaalsContact C-N 3.29Å; S251-R253 PolarHBondContact O-N 3.17Å
254S59.8Low65Low71 Ų7194.9 Ų94.950%0.49748%0.484SS..Hα-helixtrans-99.7-9.8-177.4-57.90000114.4M250 S251 L256M250-S254 PolarHBondContact O-N 3.31Å; M250-S254 PolarHBondContact O-OG 3.23Å; S251-S254 PolarHBondContact O-N 3.29Å; S254-L256 PolarHBondContact O-N 2.86Å; S254-L256 VanDerWaalsContact O-N 3.13Å
255G59Low66.7Low71 Ų7191.6 Ų91.673%0.73247%0.471SS*.THydrogen-bonded Turntrans66.39.8-177.800000114.4S251S251-G255 PolarHBondContact O-N 3.05Å
256L60.7Low67.8Low82 Ų8293.9 Ų93.943%0.42948%0.478SS..  trans-100.9137.8-176.3-73.5163.3000110.4S251 S254S251-L256 VanDerWaalsContact CB-O 3.28Å; S251-L256 WeakPolarHBondContact CB-O 3.3Å; S254-L256 PolarHBondContact O-N 2.86Å; S254-L256 VanDerWaalsContact O-N 3.13Å
257P75.1Confident68.8Low61 Ų6190 Ų9040%0.39646%0.464SS..  trans-62.8143.8-177.323.8-32.6000112.3W259 I260P257-W259 PolarHBondContact O-N 3.39Å; P257-I260 HydrophobicContact CG-CD1 3.49Å; P257-I260 VanDerWaalsContact CG-CD1 3.49Å; P257-I260 HydrophobicContact CG-CG1 3.87Å; P257-I260 WeakPolarHBondContact O-CB 3.35Å; P257-I260 PolarHBondContact O-N 3.39Å
258R71Confident70Confident130 Ų13090.1 Ų90.149%0.49147%0.471SS..Hα-helixtrans-50.9-34.8-171.4-68.5-178.8172.6106.9-13.3114.5D245 I260 A262D245-R258 IonicContact OD2-NH2 3.78Å; R258-I260 VanDerWaalsContact C-N 3.35Å; R258-I260 PolarHBondContact O-N 3.14Å; R258-A262 PolarHBondContact O-N 3.48Å; R258-A262 VanDerWaalsContact O-N 3.13Å
259W77.4Confident71.7Confident181 Ų18194.7 Ų94.769%0.68649%0.493SS*.Hα-helixtrans-69.9-29.8-179.770.6-89.9000113P257 A263P257-W259 PolarHBondContact O-N 3.39Å; W259-A263 VanDerWaalsContact O-CB 3.25Å; W259-A263 WeakPolarHBondContact O-CB 3.38Å; W259-A263 PolarHBondContact O-N 3.18Å
260I80.3Confident73Confident61 Ų6194.5 Ų94.531%0.31348%0.484SS..Hα-helixtrans-72.6-41.7178-63-178.1000110.4P257 R258 A263 C264P257-I260 HydrophobicContact CG-CD1 3.49Å; P257-I260 VanDerWaalsContact CG-CD1 3.49Å; P257-I260 HydrophobicContact CG-CG1 3.87Å; P257-I260 WeakPolarHBondContact O-CB 3.35Å; P257-I260 PolarHBondContact O-N 3.39Å; R258-I260 VanDerWaalsContact C-N 3.35Å; R258-I260 PolarHBondContact O-N 3.14Å; I260-A263 PolarHBondContact O-N 2.95Å; I260-C264 VanDerWaalsContact O-CB 3.25Å; I260-C264 WeakPolarHBondContact O-CB 3.25Å; I260-C264 PolarHBondContact O-N 3.15Å
261L75.9Confident74.6Confident34 Ų3492 Ų9218%0.17848%0.476CS..Hα-helixtrans-65.3-42175.9-70.2-179.5000111.6L247 M250 S251 C264 L265L247-L261 HydrophobicContact CD2-CB 4.31Å; M250-L261 HydrophobicContact CB-CD1 4.04Å; S251-L261 VanDerWaalsContact CA-CD1 3.47Å; L261-C264 PolarHBondContact O-N 3.35Å; L261-L265 WeakPolarHBondContact O-CB 3.22Å; L261-L265 PolarHBondContact O-N 3.48Å
262A77.2Confident75.9Confident40 Ų4097.3 Ų97.333%0.33150%0.5SS..Hα-helixtrans-61.5-45174.400000111.6L247 R258 L265 F266L247-A262 HydrophobicContact CD1-CB 4.24Å; R258-A262 PolarHBondContact O-N 3.48Å; R258-A262 VanDerWaalsContact O-N 3.13Å; A262-L265 PolarHBondContact O-N 2.88Å; A262-F266 WeakPolarHBondContact O-CB 3.31Å; A262-F266 PolarHBondContact O-N 3.42Å
263A80.5Confident77.2Confident43 Ų4391.5 Ų91.536%0.35549%0.485SS..Hα-helixtrans-63.4-43.3176.600000112.1W259 I260 F266 L267W259-A263 VanDerWaalsContact O-CB 3.25Å; W259-A263 WeakPolarHBondContact O-CB 3.38Å; W259-A263 PolarHBondContact O-N 3.18Å; I260-A263 PolarHBondContact O-N 2.95Å; A263-F266 PolarHBondContact O-N 2.9Å; A263-L267 WeakPolarHBondContact O-CB 3.43Å; A263-L267 VanDerWaalsContact O-CG 3.22Å; A263-L267 WeakPolarHBondContact O-CG 3.4Å; A263-L267 PolarHBondContact O-N 3.28Å
264C81.3Confident78.7Confident79 Ų7985.2 Ų85.253%0.53446%0.461SS..Hα-helixtrans-64.2-43.4178.7-176.40000112.1I260 L261 L267 S268I260-C264 VanDerWaalsContact O-CB 3.25Å; I260-C264 WeakPolarHBondContact O-CB 3.25Å; I260-C264 PolarHBondContact O-N 3.15Å; L261-C264 PolarHBondContact O-N 3.35Å; C264-L267 PolarHBondContact O-N 3.32Å; C264-S268 WeakPolarHBondContact O-CB 3.28Å; C264-S268 PolarHBondContact O-N 2.99Å
265L83.3Confident79.9Confident90 Ų9086.3 Ų86.347%0.47146%0.462SS..Hα-helixtrans-63.4-44175.8-175.6148.7000111.2L247 L261 A262 L267 S268 I269L247-L265 HydrophobicContact CD2-CD1 4.43Å; L261-L265 WeakPolarHBondContact O-CB 3.22Å; L261-L265 PolarHBondContact O-N 3.48Å; A262-L265 PolarHBondContact O-N 2.88Å; L265-L267 PolarHBondContact O-N 3.37Å; L265-S268 WeakPolarHBondContact O-CB 3.38Å; L265-S268 PolarHBondContact O-N 2.84Å; L265-I269 HydrophobicContact CD2-CD1 3.52Å; L265-I269 HydrophobicContact CD2-CG1 4.4Å; L265-I269 HydrophobicContact CG-CD1 4.45Å; L265-I269 WeakPolarHBondContact O-CG1 3.24Å; L265-I269 PolarHBondContact O-N 3.34Å
266F85.3Confident80.8Confident121 Ų12186.5 Ų86.553%0.53145%0.451SS..Hα-helixtrans-61.5-44.2175.9-179.4-98.2000112.2A262 A263 S268 I269 M270A262-F266 WeakPolarHBondContact O-CB 3.31Å; A262-F266 PolarHBondContact O-N 3.42Å; A263-F266 PolarHBondContact O-N 2.9Å; F266-S268 VanDerWaalsContact C-N 3.32Å; F266-S268 PolarHBondContact O-N 3.11Å; F266-I269 PolarHBondContact O-N 3.45Å; F266-M270 HydrophobicContact CD1-CG 4.12Å; F266-M270 HydrophobicContact CE1-CG 3.65Å; F266-M270 HydrophobicContact CE1-SD 4.13Å; F266-M270 HydrophobicContact CE2-CG 4.31Å; F266-M270 HydrophobicContact CZ-CG 3.76Å; F266-M270 HydrophobicContact CZ-SD 3.95Å; F266-M270 WeakPolarHBondContact O-CB 3.32Å; F266-M270 WeakPolarHBondContact O-CG 3.2Å; F266-M270 PolarHBondContact O-N 2.9Å
267L79.1Confident81.4Confident83 Ų8385.7 Ų85.744%0.43545%0.452SS..Hα-helixtrans-62-39.8175.5-72171.1000111.6A263 C264 L265 M270 V271A263-L267 WeakPolarHBondContact O-CB 3.43Å; A263-L267 VanDerWaalsContact O-CG 3.22Å; A263-L267 WeakPolarHBondContact O-CG 3.4Å; A263-L267 PolarHBondContact O-N 3.28Å; C264-L267 PolarHBondContact O-N 3.32Å; L265-L267 PolarHBondContact O-N 3.37Å; L267-M270 PolarHBondContact O-N 3.37Å; L267-V271 WeakPolarHBondContact O-CB 3.25Å; L267-V271 VanDerWaalsContact O-CG2 3.23Å; L267-V271 WeakPolarHBondContact O-CG2 3.32Å; L267-V271 PolarHBondContact O-N 2.89Å
268S87.4Confident81.4Confident67 Ų6784.7 Ų84.747%0.46945%0.449SS..Hα-helixtrans-61.1-45.7175.6179.30000112C264 L265 F266 V271 M272C264-S268 WeakPolarHBondContact O-CB 3.28Å; C264-S268 PolarHBondContact O-N 2.99Å; L265-S268 WeakPolarHBondContact O-CB 3.38Å; L265-S268 PolarHBondContact O-N 2.84Å; F266-S268 VanDerWaalsContact C-N 3.32Å; F266-S268 PolarHBondContact O-N 3.11Å; S268-V271 PolarHBondContact O-N 2.79Å; S268-M272 WeakPolarHBondContact O-CG 3.39Å; S268-M272 PolarHBondContact O-N 3.32Å
269I91.1Very high81.1Confident98 Ų9882 Ų8250%0.50345%0.45SS..Hα-helixtrans-63.9-46.4177.4-65.4171000110.8L265 F266 V271 M272 L273L265-I269 HydrophobicContact CD2-CD1 3.52Å; L265-I269 HydrophobicContact CD2-CG1 4.4Å; L265-I269 HydrophobicContact CG-CD1 4.45Å; L265-I269 WeakPolarHBondContact O-CG1 3.24Å; L265-I269 PolarHBondContact O-N 3.34Å; F266-I269 PolarHBondContact O-N 3.45Å; I269-V271 VanDerWaalsContact C-N 3.3Å; I269-V271 PolarHBondContact O-N 3.2Å; I269-M272 PolarHBondContact O-N 3.41Å; I269-L273 WeakPolarHBondContact O-CB 3.4Å; I269-L273 PolarHBondContact O-N 3Å
270M84Confident80.5Confident89 Ų8980.2 Ų80.244%0.43845%0.453SS..Hα-helixtrans-59.4-40.2177.4-78-98.277.700112.1F266 L267 L273 W274F266-M270 HydrophobicContact CD1-CG 4.12Å; F266-M270 HydrophobicContact CE1-CG 3.65Å; F266-M270 HydrophobicContact CE1-SD 4.13Å; F266-M270 HydrophobicContact CE2-CG 4.31Å; F266-M270 HydrophobicContact CZ-CG 3.76Å; F266-M270 HydrophobicContact CZ-SD 3.95Å; F266-M270 WeakPolarHBondContact O-CB 3.32Å; F266-M270 WeakPolarHBondContact O-CG 3.2Å; F266-M270 PolarHBondContact O-N 2.9Å; L267-M270 PolarHBondContact O-N 3.37Å; M270-L273 HydrophobicContact CE-CD2 4.2Å; M270-W274 VanDerWaalsContact O-CB 3.25Å; M270-W274 WeakPolarHBondContact O-CB 3.38Å; M270-W274 PolarHBondContact O-N 2.98Å
271V87.3Confident79.4Confident69 Ų6983 Ų8342%0.41847%0.473SS..Hα-helixtrans-69.6-42.6177.1170.70000111.5L267 S268 I269 L273 W274 L275L267-V271 WeakPolarHBondContact O-CB 3.25Å; L267-V271 VanDerWaalsContact O-CG2 3.23Å; L267-V271 WeakPolarHBondContact O-CG2 3.32Å; L267-V271 PolarHBondContact O-N 2.89Å; S268-V271 PolarHBondContact O-N 2.79Å; I269-V271 VanDerWaalsContact C-N 3.3Å; I269-V271 PolarHBondContact O-N 3.2Å; V271-L273 VanDerWaalsContact C-N 3.34Å; V271-L273 PolarHBondContact O-N 3.28Å; V271-W274 PolarHBondContact O-N 3.44Å; V271-L275 HydrophobicContact CG1-CD1 4.14Å; V271-L275 HydrophobicContact CG1-CG 4.41Å; V271-L275 WeakPolarHBondContact O-CG 3.28Å; V271-L275 PolarHBondContact O-N 3.32Å
272M83.5Confident78.3Confident123 Ų12386.5 Ų86.561%0.60650%0.496SS*.Hα-helixtrans-61.2-43.6175-79.8-64-160.800111.9S268 I269 W274 L275 S276S268-M272 WeakPolarHBondContact O-CG 3.39Å; S268-M272 PolarHBondContact O-N 3.32Å; I269-M272 PolarHBondContact O-N 3.41Å; M272-W274 VanDerWaalsContact C-N 3.34Å; M272-L275 PolarHBondContact O-N 3.25Å; M272-S276 WeakPolarHBondContact O-CB 3.46Å; M272-S276 PolarHBondContact O-N 3.11Å; M272-S276 PolarHBondContact O-OG 3.46Å
273L86Confident76.4Confident95 Ų9587.7 Ų87.750%0.49751%0.506SS..Hα-helixtrans-65.1-40.3175.9-170.764.9000110.9I269 M270 V271 S276 C277I269-L273 WeakPolarHBondContact O-CB 3.4Å; I269-L273 PolarHBondContact O-N 3Å; M270-L273 HydrophobicContact CE-CD2 4.2Å; V271-L273 VanDerWaalsContact C-N 3.34Å; V271-L273 PolarHBondContact O-N 3.28Å; L273-S276 WeakPolarHBondContact O-CB 3.41Å; L273-S276 PolarHBondContact O-N 2.95Å; L273-C277 WeakPolarHBondContact O-CB 3.31Å; L273-C277 PolarHBondContact O-N 3.06Å; L273-C277 PolarHBondContact O-SG 3.37Å
274W87.4Confident74.5Confident101 Ų10190.8 Ų90.838%0.38352%0.522SS..Hα-helixtrans-64.6-44.5176.5177.633.3000112.8F12 M270 V271 M272 S276 C277 A278F12-W274 AromaticContact CD1-CH2 3.81Å; F12-W274 HydrophobicContact CD1-CH2 3.81Å; F12-W274 HydrophobicContact CD1-CZ2 4.41Å; F12-W274 HydrophobicContact CD1-CZ3 4.07Å; F12-W274 HydrophobicContact CD2-CH2 4.16Å; F12-W274 AromaticContact CD2-CZ2 3.95Å; F12-W274 HydrophobicContact CD2-CZ2 3.95Å; F12-W274 HydrophobicContact CE1-CD2 4.14Å; F12-W274 AromaticContact CE1-CE3 3.63Å; F12-W274 HydrophobicContact CE1-CE3 3.63Å; F12-W274 AromaticContact CE1-CH2 3.21Å; F12-W274 HydrophobicContact CE1-CH2 3.21Å; F12-W274 AromaticContact CE1-CZ2 3.77Å; F12-W274 HydrophobicContact CE1-CZ2 3.77Å; F12-W274 AromaticContact CE1-CZ3 3.13Å; F12-W274 HydrophobicContact CE1-CZ3 3.13Å; F12-W274 HydrophobicContact CE2-CD2 4.04Å; F12-W274 AromaticContact CE2-CE2 3.44Å; F12-W274 VanDerWaalsContact CE2-CE2 3.44Å; F12-W274 HydrophobicContact CE2-CE3 4.35Å; F12-W274 AromaticContact CE2-CH2 3.61Å; F12-W274 HydrophobicContact CE2-CH2 3.61Å; F12-W274 AromaticContact CE2-CZ2 3.21Å; F12-W274 HydrophobicContact CE2-CZ2 3.21Å; F12-W274 HydrophobicContact CE2-CZ3 4.17Å; F12-W274 AromaticContact CE2-NE1 3.94Å; F12-W274 HydrophobicContact CG-CH2 4.27Å; F12-W274 AromaticContact CZ-CD2 3.35Å; F12-W274 HydrophobicContact CZ-CD2 3.35Å; F12-W274 AromaticContact CZ-CE2 3.23Å; F12-W274 AromaticContact CZ-CE3 3.33Å; F12-W274 HydrophobicContact CZ-CE3 3.33Å; F12-W274 HydrophobicContact CZ-CG 4.23Å; F12-W274 AromaticContact CZ-CH2 3.13Å; F12-W274 HydrophobicContact CZ-CH2 3.13Å; F12-W274 AromaticContact CZ-CZ2 3.15Å; F12-W274 HydrophobicContact CZ-CZ2 3.15Å; F12-W274 AromaticContact CZ-CZ3 3.23Å; F12-W274 HydrophobicContact CZ-CZ3 3.23Å; M270-W274 VanDerWaalsContact O-CB 3.25Å; M270-W274 WeakPolarHBondContact O-CB 3.38Å; M270-W274 PolarHBondContact O-N 2.98Å; V271-W274 PolarHBondContact O-N 3.44Å; M272-W274 VanDerWaalsContact C-N 3.34Å; W274-S276 VanDerWaalsContact C-N 3.27Å; W274-S276 PolarHBondContact O-N 3.44Å; W274-C277 PolarHBondContact O-N 2.91Å; W274-A278 WeakPolarHBondContact O-CB 3.44Å; W274-A278 PolarHBondContact O-N 3.06Å
275L84.4Confident72.6Confident95 Ų9596 Ų9650%0.49754%0.538SS..Hα-helixtrans-63.3-35.1175.1-72.1175.1000111.8V271 M272 A278 S279V271-L275 HydrophobicContact CG1-CD1 4.14Å; V271-L275 HydrophobicContact CG1-CG 4.41Å; V271-L275 WeakPolarHBondContact O-CG 3.28Å; V271-L275 PolarHBondContact O-N 3.32Å; M272-L275 PolarHBondContact O-N 3.25Å; L275-A278 PolarHBondContact O-N 3.31Å; L275-S279 WeakPolarHBondContact O-CB 3.4Å; L275-S279 PolarHBondContact O-N 3.2Å; L275-S279 PolarHBondContact O-OG 3.47Å
276S78.1Confident70.7Confident74 Ų7499 Ų9952%0.51755%0.55SS.*Hα-helixtrans-65.1-45.6173.3-56.40000111.2M272 L273 W274 S279 L280M272-S276 WeakPolarHBondContact O-CB 3.46Å; M272-S276 PolarHBondContact O-N 3.11Å; M272-S276 PolarHBondContact O-OG 3.46Å; L273-S276 WeakPolarHBondContact O-CB 3.41Å; L273-S276 PolarHBondContact O-N 2.95Å; W274-S276 VanDerWaalsContact C-N 3.27Å; W274-S276 PolarHBondContact O-N 3.44Å; S276-S279 PolarHBondContact O-N 3.27Å; S276-L280 WeakPolarHBondContact O-CB 3.46Å; S276-L280 PolarHBondContact O-N 3.29Å
277C74Confident68.6Low65 Ų65101.1 Ų101.144%0.43956%0.561SS.*Hα-helixtrans-67.2-35.8176.1-67.70000112.9L273 W274 L280 V281L273-C277 WeakPolarHBondContact O-CB 3.31Å; L273-C277 PolarHBondContact O-N 3.06Å; L273-C277 PolarHBondContact O-SG 3.37Å; W274-C277 PolarHBondContact O-N 2.91Å; C277-L280 PolarHBondContact O-N 2.91Å; C277-V281 WeakPolarHBondContact O-CG2 3.31Å; C277-V281 PolarHBondContact O-N 2.97Å
278A75Confident66.9Low40 Ų40103.2 Ų103.233%0.33157%0.572SS.*Hα-helixtrans-68-39.4175.700000111.2W274 L275 V281 T282W274-A278 WeakPolarHBondContact O-CB 3.44Å; W274-A278 PolarHBondContact O-N 3.06Å; L275-A278 PolarHBondContact O-N 3.31Å; A278-V281 PolarHBondContact O-N 3.48Å; A278-T282 WeakPolarHBondContact O-CB 3.45Å; A278-T282 PolarHBondContact O-N 2.91Å; A278-T282 PolarHBondContact O-OG1 2.95Å
279S65.6Low64.6Low74 Ų74107.8 Ų107.852%0.51758%0.583SS.*Hα-helixtrans-67.1-36.2175.4-57.80000112L275 S276 V281 T282 A283L275-S279 WeakPolarHBondContact O-CB 3.4Å; L275-S279 PolarHBondContact O-N 3.2Å; L275-S279 PolarHBondContact O-OG 3.47Å; S276-S279 PolarHBondContact O-N 3.27Å; S279-V281 VanDerWaalsContact C-N 3.26Å; S279-V281 PolarHBondContact O-N 3.24Å; S279-T282 WeakPolarHBondContact CA-OG1 3.44Å; S279-T282 PolarHBondContact O-N 3.26Å; S279-A283 PolarHBondContact O-N 2.81Å
280L64.6Low62.5Low144 Ų144109.7 Ų109.775%0.75460%0.599SS**Hα-helixtrans-65.7-28175.8-162.7130.1000113S276 C277S276-L280 WeakPolarHBondContact O-CB 3.46Å; S276-L280 PolarHBondContact O-N 3.29Å; C277-L280 PolarHBondContact O-N 2.91Å
281V56.2Low60.5Low120 Ų120110.5 Ų110.573%0.72760%0.602SS**Hα-helixtrans-91.8-14.2177.2177.40000112.5C277 A278 S279C277-V281 WeakPolarHBondContact O-CG2 3.31Å; C277-V281 PolarHBondContact O-N 2.97Å; A278-V281 PolarHBondContact O-N 3.48Å; S279-V281 VanDerWaalsContact C-N 3.26Å; S279-V281 PolarHBondContact O-N 3.24Å
282T52.6Low58.5Low107 Ų107115.4 Ų115.466%0.65663%0.625SS**Hα-helixtrans-109.70.517946.90000114.1A278 S279 P284A278-T282 WeakPolarHBondContact O-CB 3.45Å; A278-T282 PolarHBondContact O-N 2.91Å; A278-T282 PolarHBondContact O-OG1 2.95Å; S279-T282 WeakPolarHBondContact CA-OG1 3.44Å; S279-T282 PolarHBondContact O-N 3.26Å; T282-P284 WeakPolarHBondContact O-CD 3.4Å; T282-P284 VanDerWaalsContact O-N 3.08Å
283A37.8Very low56.8Low65 Ų65113.3 Ų113.354%0.53762%0.622SS.*SBendtrans-57.1114.5157.900000106.8S279 E285S279-A283 PolarHBondContact O-N 2.81Å; A283-E285 PolarHBondContact O-N 3.46Å; A283-E285 VanDerWaalsContact O-N 3.13Å
284P40.5Very low55.2Low108 Ų108116.8 Ų116.870%0.70164%0.64SS**  trans-56.1127.217223.8-29.9000105.8T282 Q286T282-P284 WeakPolarHBondContact O-CD 3.4Å; T282-P284 VanDerWaalsContact O-N 3.08Å; P284-Q286 PolarHBondContact O-N 3.36Å
285E42.6Very low53.2Low187 Ų187118.1 Ų118.187%0.87465%0.654SS**  trans-56.388.8164.5-87-152.9163.200107.2A283 H287A283-E285 PolarHBondContact O-N 3.46Å; A283-E285 VanDerWaalsContact O-N 3.13Å; E285-H287 PolarHBondContact O-N 2.82Å
286Q42.9Very low51.4Low154 Ų154114.9 Ų114.972%0.7264%0.644SS**  trans-63.5101.1147-71.7-166.4-64.100103.4P284 I288P284-Q286 PolarHBondContact O-N 3.36Å; Q286-I288 HydrophobicContact CB-CG1 4.47Å; Q286-I288 PolarHBondContact O-N 3.49Å
287H40.9Very low50Low166 Ų166117.5 Ų117.577%0.76965%0.652SS**  trans-55.737.1170.280-65.5000113E285 K289E285-H287 PolarHBondContact O-N 2.82Å; H287-K289 PolarHBondContact O-N 3.07Å
288I42.2Very low48.8Very low127 Ų127122.9 Ų122.965%0.65167%0.668SS**  trans-78.181.6167.1-56.4173.6000105.5Q286 T290Q286-I288 HydrophobicContact CB-CG1 4.47Å; Q286-I288 PolarHBondContact O-N 3.49Å; I288-T290 PolarHBondContact O-N 3.01Å
289K40.7Very low47.6Very low163 Ų163126.9 Ų126.971%0.70968%0.68SS**  trans-8.490.4154.2-166.4179.8-174.8-176.50111H287 Q291H287-K289 PolarHBondContact O-N 3.07Å; K289-Q291 HydrophobicContact CG-CB 4.21Å; K289-Q291 HydrophobicContact CG-CG 4.19Å; K289-Q291 PolarHBondContact O-N 3.44Å
290T45.8Very low46.8Very low137 Ų137130.5 Ų130.584%0.8469%0.686SS**  trans-70.669162.942.90000107.7I288 L292I288-T290 PolarHBondContact O-N 3.01Å; T290-L292 PolarHBondContact O-N 3.34Å
291Q41.8Very low45.9Very low107 Ų107130 Ų13050%0.568%0.682SS.*  trans-88.987.6157.3-98.6-148.5-9.900107.5K289K289-Q291 HydrophobicContact CG-CB 4.21Å; K289-Q291 HydrophobicContact CG-CG 4.19Å; K289-Q291 PolarHBondContact O-N 3.44Å
292L46.8Very low45.6Very low172 Ų172131.7 Ų131.790%0.90168%0.682SS**  trans-92.630.5148-91.797000111T290 I294T290-L292 PolarHBondContact O-N 3.34Å; L292-I294 PolarHBondContact O-N 2.93Å
293S47.5Very low45.5Very low78 Ų78133 Ų13355%0.54568%0.68SS.*  trans-9094.3162.7-173.20000108.2N295S293-N295 PolarHBondContact O-N 2.92Å
294I51.6Low46Very low168 Ų168134.6 Ų134.686%0.86268%0.683SS**THydrogen-bonded Turntrans-39.6106.1153.8-77.5164.5000107.8L292L292-I294 PolarHBondContact O-N 2.93Å
295N45.3Very low46.3Very low130 Ų130138 Ų13870%0.69569%0.689SS**THydrogen-bonded Turntrans1515.3161.3-163.354.3000113.7S293 D297S293-N295 PolarHBondContact O-N 2.92Å; N295-D297 PolarHBondContact O-N 3Å
296G47Very low46.5Very low26 Ų26137.9 Ų137.927%0.26869%0.686SS.*THydrogen-bonded Turntrans-80.3-2.2-179.400000117.1K298G296-K298 PolarHBondContact O-N 3.42Å
297D47.7Very low46.3Very low130 Ų130136.4 Ų136.470%0.69569%0.687SS**Hα-helixtrans-80-14.8-170.2-168.231.1000114.3N295 E299N295-D297 PolarHBondContact O-N 3Å; D297-E299 VanDerWaalsContact C-N 3.34Å
298K49.7Very low46.1Very low177 Ų177135.7 Ų135.777%0.7769%0.689SS**Hα-helixtrans-74.3-26.3177-99.6178.3175.4170.10113.7G296G296-K298 PolarHBondContact O-N 3.42Å
299E50.7Low46.3Very low124 Ų124133.4 Ų133.458%0.57968%0.682SS**Hα-helixtrans-85.8-23.4-168.7-41.4-168-139.900111.2D297 H303D297-E299 VanDerWaalsContact C-N 3.34Å; E299-H303 PolarHBondContact O-CD2 3.46Å
300F47.1Very low46Very low151 Ų151134.8 Ų134.866%0.66269%0.688SS**Hα-helixtrans-78.8-32.6-178.5-152.2-98.9000112.8H303 V304F300-H303 PolarHBondContact O-N 3.38Å; F300-V304 HydrophobicContact CD1-CG2 4.19Å; F300-V304 HydrophobicContact CE1-CG2 4.21Å; F300-V304 WeakPolarHBondContact O-CG2 3.24Å; F300-V304 PolarHBondContact O-N 2.79Å
301M47.1Very low45.3Very low134 Ų134137 Ų13766%0.6669%0.689SS**Hα-helixtrans-72.2-28.2178.9-71-170.266.500113.5H303 V304M301-H303 VanDerWaalsContact C-N 3.32Å; M301-V304 PolarHBondContact O-N 2.86Å
302E50.2Low45.4Very low155 Ų155140 Ų14072%0.72471%0.708SS**Hα-helixtrans-73.5-26.6178.6-164.5170.4-174.900112.1
303H49Very low44.7Very low135 Ų135137.3 Ų137.363%0.62570%0.703SS**Hα-helixtrans-81.9-25.5174.8-64.3-52.3000113.7E299 F300 M301E299-H303 PolarHBondContact O-CD2 3.46Å; F300-H303 PolarHBondContact O-N 3.38Å; M301-H303 VanDerWaalsContact C-N 3.32Å
304V49.7Very low44.1Very low97 Ų97138.2 Ų138.259%0.58871%0.709SS**Hα-helixtrans-76-27.4-179.6173.70000112.3F300 M301 K306F300-V304 HydrophobicContact CD1-CG2 4.19Å; F300-V304 HydrophobicContact CE1-CG2 4.21Å; F300-V304 WeakPolarHBondContact O-CG2 3.24Å; F300-V304 PolarHBondContact O-N 2.79Å; M301-V304 PolarHBondContact O-N 2.86Å; V304-K306 PolarHBondContact O-N 2.91Å
305H46.4Very low43.3Very low179 Ų179139.5 Ų139.583%0.82971%0.714SS**THydrogen-bonded Turntrans-83.9-1.1-179.5-10663.7000115.3
306K46.6Very low43.1Very low186 Ų186140.2 Ų140.281%0.80972%0.716SS**THydrogen-bonded Turntrans-116.614-173.2-152.5175.8177.8178.10115.6V304V304-K306 PolarHBondContact O-N 2.91Å
307V39Very low42.7Very low123 Ų123143.6 Ų143.675%0.74574%0.742SS**  trans-130100.7178.3-149.80000110.7
308N35.6Very low42.1Very low151 Ų151143.9 Ų143.981%0.80775%0.748SS**  trans-74.4171167.2-145.812.9000109.7
309P47.4Very low41.4Very low78 Ų78140.6 Ų140.651%0.50675%0.747SS.*  -107.2169.7-116.628.9-7.7000113.9
310F33.4Very low40.6Very low193 Ų193141 Ų14185%0.84676%0.758SS**  trans74.1112.3169-49.7-77.8000118
311H31.5Very low39.9Very low184 Ų184143.5 Ų143.585%0.85277%0.769SS**  -169113.5106.3-139.2-98000110.1
312L44.2Very low39.2Very low170 Ų170146.4 Ų146.489%0.8978%0.78SS**  trans-67.4133.7165.6-83.5160.1000109.2
313S32Very low38.2Very low115 Ų115144 Ų14480%0.80478%0.781SS**  trans-158.6117.1150.7-139.80000113.3
314S35.1Very low37.4Very low97 Ų97145.7 Ų145.768%0.67879%0.789SS**  trans66.489.8149.3177.90000119.7
315M35Very low36.6Very low195 Ų195149.8 Ų149.896%0.96180%0.802SS**  trans-94.8118.1148.5-143.1173-171.400107.8A317M315-A317 PolarHBondContact O-N 3Å
316I40.7Very low36.1Very low144 Ų144145.4 Ų145.474%0.73880%0.797SS**  trans-79.2114.6178.4-69164.9000108.2
317A37.9Very low35.6Very low98 Ų98145.5 Ų145.581%0.8180%0.8SS**  trans-87.5124.9168.700000109.7M315M315-A317 PolarHBondContact O-N 3Å
318V36.2Very low35.7Very low135 Ų135149.2 Ų149.282%0.81881%0.809SS**  trans-87.8113174.7177.30000108.7
319S33.7Very low35.8Very low108 Ų108146.7 Ų146.776%0.75581%0.809SS**PPolyproline II helixtrans-89.9130.1169.3176.50000110K321S319-K321 PolarHBondContact O-N 3.16Å
320V35.7Very low36.1Very low133 Ų133146.1 Ų146.181%0.80682%0.818SS**PPolyproline II helixtrans-71.2120.2172.2170.60000108.5Q322V320-Q322 PolarHBondContact O-N 3.14Å
321K32.1Very low37Very low204 Ų204143.3 Ų143.389%0.88782%0.819SS**PPolyproline II helixtrans-66.7121.2171.8-76.8-178.4174.5-179.20109.9S319S319-K321 PolarHBondContact O-N 3.16Å
322Q32.1Very low38Very low194 Ų194142.3 Ų142.391%0.90782%0.819SS**  trans-113.2127.4150.6-145.7172.4-1.500107.7V320V320-Q322 PolarHBondContact O-N 3.14Å
323S29.3Very low38Very low105 Ų105140.1 Ų140.173%0.73482%0.815SS**  trans-82.5158.9-174.4-170.20000111.1
324E32.3Very low39.3Very low171 Ų171141.1 Ų141.180%0.79982%0.816SS**  trans93.997165.3-63.9179.8116.900118.1
325E33.3Very low39.9Very low182 Ų182145.9 Ų145.985%0.8582%0.824SS**  50.7123.6126.5-86.7-173.7133.400122.1
326A35.1Very low40.9Very low88 Ų88142.5 Ų142.573%0.72781%0.814SS**  trans92129.7133.500000119.3
327Q35.6Very low41.2Very low188 Ų188142.3 Ų142.388%0.87982%0.815SS**  trans98.598.1157.9-63.2-178.611.300118.5
328E42.6Very low42.1Very low201 Ų201145.1 Ų145.194%0.93982%0.815SS**  trans-32.4122.7145-169.7173.6-169.600114.4
329A37.1Very low42.9Very low98 Ų98145.8 Ų145.881%0.8181%0.814SS**  trans-156.1111.4161.500000107.4
330G53.3Low44.1Very low66 Ų66150 Ų15068%0.6882%0.819SS**  94.4127.794.600000111.9
331P53.1Low44.4Very low134 Ų134150 Ų15087%0.8782%0.819SS**PPolyproline II helixtrans-68.9145.7-17026.1-32000113.8
332L51.3Low45Very low163 Ų163146.2 Ų146.285%0.85382%0.818SS**PPolyproline II helixtrans-54.6138.1-175.4-94.375000113.4
333P44.2Very low45.3Very low124 Ų124147.2 Ų147.281%0.80584%0.836SS**PPolyproline II helixtrans-70.8147.3168.328.2-30.7000112.1
334V59.7Low46.1Very low135 Ų135149.4 Ų149.482%0.81884%0.842SS**PPolyproline II helixtrans-61.5137.8-1731720000112.5V336V334-V336 PolarHBondContact O-N 3.21Å
335K48.2Very low46.9Very low197 Ų197148.2 Ų148.286%0.85784%0.844SS**PPolyproline II helixtrans-53.8125.5172.5-83.3177.7173.31780111
336V55Low47.6Very low125 Ų125146.3 Ų146.376%0.75884%0.843SS**PPolyproline II helixtrans-87.2117.5169.6-1750000108.1V334V334-V336 PolarHBondContact O-N 3.21Å
337D48.5Very low48.4Very low139 Ų139149.8 Ų149.874%0.74385%0.85SS**PPolyproline II helixtrans-74.4117.5173.7-86.8-46.3000110.6N339D337-N339 PolarHBondContact O-N 3.03Å
338L56.5Low49.2Very low157 Ų157147.4 Ų147.482%0.82285%0.848SS**THydrogen-bonded Turntrans-75.56.9179.2-88.288.5000114.7K340L338-K340 PolarHBondContact O-N 2.95Å
339N53Low49.6Very low149 Ų149143.8 Ų143.880%0.79784%0.842SS**THydrogen-bonded Turntrans-95.319.3-174.5-68.1-8.7000114.7D337D337-N339 PolarHBondContact O-N 3.03Å
340K58Low50.5Low196 Ų196147.1 Ų147.185%0.85285%0.845SS**  trans-136.165.2171.9-73.2-172.11791750112.3L338L338-K340 PolarHBondContact O-N 2.95Å
341T42.5Very low50.3Low133 Ų133153.3 Ų153.382%0.81686%0.857SS**  trans-147.579.5147.1-15.30000109.2
342C43.9Very low50.1Low126 Ų126154.9 Ų154.985%0.85186%0.856SS**  trans-94.6102.4151.5-53.80000105.9
343V39.9Very low49.9Very low215 Ų215154.2 Ų154.2100%1.30386%0.857SS**  trans-153.80145.6-179.70000107.3

Retrieved 343 of 343 residues in 355.3 ms (Link to these results)