A0A087XU23_POEFO Loading...

UDP-N-acetylglucosamine transferase subunit ALG14

AlphaFold DB , UniProt , Accession A0A087XU23, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 215 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
1M75Confident91.6Very high209 Ų209118.5 Ų118.5100%1.0362%0.623SS**  0-460-63.8177.395.700112.3F4 G5M1-F4 PolarHBondContact O-N 2.99Å; M1-G5 PolarHBondContact O-N 3.48Å; M1-G5 VanDerWaalsContact O-N 3.1Å
2L85.7Confident92Very high149 Ų149114.7 Ų114.778%0.7860%0.603SS**Hα-helixtrans-63.4-43.2-177.5-149.7138.7000114F4 G5 V6L2-F4 PolarHBondContact O-N 3.19Å; L2-G5 PolarHBondContact O-N 3.17Å; L2-V6 HydrophobicContact CD2-CG2 4.36Å; L2-V6 WeakPolarHBondContact O-CG2 3.15Å; L2-V6 PolarHBondContact O-N 2.81Å
3L90.4Very high92.2Very high130 Ų130111.9 Ų111.968%0.68159%0.594SS**Hα-helixtrans-60.8-44.4176-176.266000112.7G5 V6 V7L3-G5 VanDerWaalsContact C-N 3.32Å; L3-G5 PolarHBondContact O-N 3.28Å; L3-V6 PolarHBondContact O-N 3.24Å; L3-V7 WeakPolarHBondContact O-CG2 3.49Å; L3-V7 PolarHBondContact O-N 2.94Å
4F91.3Very high92.3Very high166 Ų166107.5 Ų107.573%0.72858%0.581SS**Hα-helixtrans-62.2-39.3176.4-77.8-82.8000111.9M1 L2 F8M1-F4 PolarHBondContact O-N 2.99Å; L2-F4 PolarHBondContact O-N 3.19Å; F4-F8 VanDerWaalsContact O-CB 3.27Å; F4-F8 WeakPolarHBondContact O-CB 3.5Å; F4-F8 PolarHBondContact O-N 2.96Å
5G92.9Very high92.5Very high43 Ų43105.2 Ų105.244%0.44357%0.568SS.*Hα-helixtrans-63.5-42.1174.400000113.2M1 L2 L3 S9M1-G5 PolarHBondContact O-N 3.48Å; M1-G5 VanDerWaalsContact O-N 3.1Å; L2-G5 PolarHBondContact O-N 3.17Å; L3-G5 VanDerWaalsContact C-N 3.32Å; L3-G5 PolarHBondContact O-N 3.28Å; G5-S9 WeakPolarHBondContact O-CB 3.46Å; G5-S9 PolarHBondContact O-N 3.16Å
6V94.9Very high92.7Very high74 Ų74104.9 Ų104.945%0.44857%0.565SS.*Hα-helixtrans-65-47.6177173.70000111.2L2 L3 F8 S9 L10L2-V6 HydrophobicContact CD2-CG2 4.36Å; L2-V6 WeakPolarHBondContact O-CG2 3.15Å; L2-V6 PolarHBondContact O-N 2.81Å; L3-V6 PolarHBondContact O-N 3.24Å; V6-F8 VanDerWaalsContact C-N 3.35Å; V6-F8 PolarHBondContact O-N 3.21Å; V6-S9 PolarHBondContact O-N 3.43Å; V6-L10 HydrophobicContact CG1-CD1 4.08Å; V6-L10 WeakPolarHBondContact O-CG 3.46Å; V6-L10 PolarHBondContact O-N 3.37Å
7V95.8Very high92.7Very high86 Ų86105 Ų10552%0.52156%0.559SS.*Hα-helixtrans-61.7-43.8178.9173.20000111L3 S9 L10 F11L3-V7 WeakPolarHBondContact O-CG2 3.49Å; L3-V7 PolarHBondContact O-N 2.94Å; V7-S9 PolarHBondContact O-N 3.48Å; V7-L10 PolarHBondContact O-N 3.21Å; V7-F11 WeakPolarHBondContact O-CB 3.49Å; V7-F11 PolarHBondContact O-N 3.43Å
8F95.6Very high92.8Very high134 Ų134105.3 Ų105.359%0.58856%0.56SS**Hα-helixtrans-62.5-42.7177.1-177.9-101.8000112.3F4 V6 F11 L12F4-F8 VanDerWaalsContact O-CB 3.27Å; F4-F8 WeakPolarHBondContact O-CB 3.5Å; F4-F8 PolarHBondContact O-N 2.96Å; V6-F8 VanDerWaalsContact C-N 3.35Å; V6-F8 PolarHBondContact O-N 3.21Å; F8-F11 PolarHBondContact O-N 3.5Å; F8-L12 HydrophobicContact CE1-CD2 4.43Å; F8-L12 WeakPolarHBondContact O-CB 3.39Å; F8-L12 PolarHBondContact O-N 3.05Å
9S94.3Very high92.8Very high65 Ų65104.7 Ų104.746%0.45556%0.557SS.*Hα-helixtrans-63.3-44.3176.8-175.50000112.4G5 V6 V7 F11 L12 T13G5-S9 WeakPolarHBondContact O-CB 3.46Å; G5-S9 PolarHBondContact O-N 3.16Å; V6-S9 PolarHBondContact O-N 3.43Å; V7-S9 PolarHBondContact O-N 3.48Å; S9-F11 PolarHBondContact O-N 3.32Å; S9-L12 PolarHBondContact O-N 3.21Å; S9-T13 WeakPolarHBondContact O-CB 3.33Å; S9-T13 WeakPolarHBondContact O-CG2 3.47Å; S9-T13 PolarHBondContact O-N 3.43Å; S9-T13 PolarHBondContact O-OG1 3.38Å
10L95.4Very high92.8Very high112 Ų112104.9 Ų104.959%0.58655%0.549SS*.Hα-helixtrans-62.7-41.8175.8-71.4173.4000112V6 V7 T13 A14V6-L10 HydrophobicContact CG1-CD1 4.08Å; V6-L10 WeakPolarHBondContact O-CG 3.46Å; V6-L10 PolarHBondContact O-N 3.37Å; V7-L10 PolarHBondContact O-N 3.21Å; L10-T13 WeakPolarHBondContact CA-OG1 3.1Å; L10-T13 PolarHBondContact O-OG1 3.26Å; L10-A14 VanDerWaalsContact O-CB 3.32Å; L10-A14 WeakPolarHBondContact O-CB 3.48Å; L10-A14 PolarHBondContact O-N 2.81Å
11F96.6Very high92.6Very high135 Ų135101.4 Ų101.459%0.59253%0.533SS*.Hα-helixtrans-63.2-47.2175.6176.9-98.5000111.9V7 F8 S9 T13 A14 L15V7-F11 WeakPolarHBondContact O-CB 3.49Å; V7-F11 PolarHBondContact O-N 3.43Å; F8-F11 PolarHBondContact O-N 3.5Å; S9-F11 PolarHBondContact O-N 3.32Å; F11-T13 PolarHBondContact O-N 2.59Å; F11-A14 PolarHBondContact O-N 2.99Å; F11-L15 HydrophobicContact CE1-CD2 4.33Å; F11-L15 WeakPolarHBondContact O-CB 3.23Å; F11-L15 PolarHBondContact O-N 3.01Å
12L96.2Very high93.4Very high73 Ų7398.5 Ų98.538%0.38251%0.511SS..Hα-helixtrans-63.4-43.4-179.6-176.662.2000111.6F8 S9 L15 L16F8-L12 HydrophobicContact CE1-CD2 4.43Å; F8-L12 WeakPolarHBondContact O-CB 3.39Å; F8-L12 PolarHBondContact O-N 3.05Å; S9-L12 PolarHBondContact O-N 3.21Å; L12-L15 PolarHBondContact O-N 3.2Å; L12-L16 HydrophobicContact CD1-CD1 4.44Å; L12-L16 HydrophobicContact CD1-CG 4.38Å; L12-L16 HydrophobicContact CG-CD1 4.17Å; L12-L16 WeakPolarHBondContact O-CB 3.25Å; L12-L16 VanDerWaalsContact O-CG 3.26Å; L12-L16 WeakPolarHBondContact O-CG 3.45Å; L12-L16 PolarHBondContact O-N 3.42Å
13T94.2Very high93.5Very high79 Ų7997.6 Ų97.649%0.48550%0.501SS..Hα-helixtrans-64-42.8176.750.60000112.1S9 L10 F11 L16 F17S9-T13 WeakPolarHBondContact O-CB 3.33Å; S9-T13 WeakPolarHBondContact O-CG2 3.47Å; S9-T13 PolarHBondContact O-N 3.43Å; S9-T13 PolarHBondContact O-OG1 3.38Å; L10-T13 WeakPolarHBondContact CA-OG1 3.1Å; L10-T13 PolarHBondContact O-OG1 3.26Å; F11-T13 PolarHBondContact O-N 2.59Å; T13-L16 PolarHBondContact O-N 2.87Å; T13-F17 WeakPolarHBondContact O-CB 3.33Å; T13-F17 PolarHBondContact O-N 2.83Å
14A93.9Very high93.4Very high50 Ų5092.5 Ų92.541%0.41348%0.475SS..Hα-helixtrans-61.9-43.6173.900000112L10 F11 F17 L18L10-A14 VanDerWaalsContact O-CB 3.32Å; L10-A14 WeakPolarHBondContact O-CB 3.48Å; L10-A14 PolarHBondContact O-N 2.81Å; F11-A14 PolarHBondContact O-N 2.99Å; A14-F17 PolarHBondContact O-N 2.97Å; A14-L18 WeakPolarHBondContact O-CG 3.21Å; A14-L18 PolarHBondContact O-N 3.1Å
15L95.9Very high93.1Very high73 Ų7388.4 Ų88.438%0.38246%0.46SS..Hα-helixtrans-61.6-48.5177.2178.963.7000111.5F11 L12 F17 L18 L19F11-L15 HydrophobicContact CE1-CD2 4.33Å; F11-L15 WeakPolarHBondContact O-CB 3.23Å; F11-L15 PolarHBondContact O-N 3.01Å; L12-L15 PolarHBondContact O-N 3.2Å; L15-F17 VanDerWaalsContact C-N 3.29Å; L15-F17 PolarHBondContact O-N 2.9Å; L15-L18 PolarHBondContact O-N 3.07Å; L15-L19 HydrophobicContact CD1-CD1 4.45Å; L15-L19 HydrophobicContact CD1-CG 4.41Å; L15-L19 HydrophobicContact CG-CD1 4.18Å; L15-L19 WeakPolarHBondContact O-CB 3.5Å; L15-L19 WeakPolarHBondContact O-CG 3.15Å; L15-L19 PolarHBondContact O-N 2.52Å
16L94.7Very high92.6Very high100 Ų10091.1 Ų91.152%0.52447%0.465SS..Hα-helixtrans-61.6-38.5177.5-70174.2000111.7L12 T13 L19 R20L12-L16 HydrophobicContact CD1-CD1 4.44Å; L12-L16 HydrophobicContact CD1-CG 4.38Å; L12-L16 HydrophobicContact CG-CD1 4.17Å; L12-L16 WeakPolarHBondContact O-CB 3.25Å; L12-L16 VanDerWaalsContact O-CG 3.26Å; L12-L16 WeakPolarHBondContact O-CG 3.45Å; L12-L16 PolarHBondContact O-N 3.42Å; T13-L16 PolarHBondContact O-N 2.87Å; L16-L19 PolarHBondContact O-N 3.42Å; L16-R20 WeakPolarHBondContact O-CB 3.35Å; L16-R20 PolarHBondContact O-N 3.48Å
17F93.6Very high91.5Very high107 Ų10789.3 Ų89.347%0.46946%0.455SS..Hα-helixtrans-64.3-45.3174.5-178.9-99.6000112T13 A14 L15 L19 R20 V21 I160T13-F17 WeakPolarHBondContact O-CB 3.33Å; T13-F17 PolarHBondContact O-N 2.83Å; A14-F17 PolarHBondContact O-N 2.97Å; L15-F17 VanDerWaalsContact C-N 3.29Å; L15-F17 PolarHBondContact O-N 2.9Å; F17-L19 PolarHBondContact O-N 3.24Å; F17-R20 WeakPolarHBondContact O-CB 3.31Å; F17-R20 PolarHBondContact O-N 3.07Å; F17-V21 HydrophobicContact CD1-CG2 4.21Å; F17-V21 HydrophobicContact CE1-CG2 3.82Å; F17-V21 HydrophobicContact CE2-CG2 4.44Å; F17-V21 HydrophobicContact CZ-CG2 3.94Å; F17-V21 WeakPolarHBondContact O-CG2 3.47Å; F17-V21 PolarHBondContact O-N 3.26Å; F17-I160 HydrophobicContact CE2-CG2 3.74Å; F17-I160 HydrophobicContact CZ-CG2 3.93Å
18L93.6Very high89.9Confident110 Ų11087.2 Ų87.258%0.57645%0.451SS*.Hα-helixtrans-63.3-42176.4-71.2173.8000112.1A14 L15 R20 V21 Y22A14-L18 WeakPolarHBondContact O-CG 3.21Å; A14-L18 PolarHBondContact O-N 3.1Å; L15-L18 PolarHBondContact O-N 3.07Å; L18-R20 VanDerWaalsContact C-N 3.3Å; L18-R20 PolarHBondContact O-N 3.37Å; L18-V21 PolarHBondContact O-N 3.06Å; L18-Y22 WeakPolarHBondContact O-CB 3.33Å; L18-Y22 PolarHBondContact O-N 2.92Å
19L92.9Very high88.1Confident95 Ų9582.5 Ų82.550%0.49744%0.435SS..Hα-helixtrans-61.1-40.5173.6-72.1173.7000111.4L15 L16 F17 Y22 F23L15-L19 HydrophobicContact CD1-CD1 4.45Å; L15-L19 HydrophobicContact CD1-CG 4.41Å; L15-L19 HydrophobicContact CG-CD1 4.18Å; L15-L19 WeakPolarHBondContact O-CB 3.5Å; L15-L19 WeakPolarHBondContact O-CG 3.15Å; L15-L19 PolarHBondContact O-N 2.52Å; L16-L19 PolarHBondContact O-N 3.42Å; F17-L19 PolarHBondContact O-N 3.24Å; L19-Y22 PolarHBondContact O-N 3.18Å; L19-F23 WeakPolarHBondContact O-CB 3.28Å; L19-F23 PolarHBondContact O-N 3.48Å
20R92.1Very high86Confident107 Ų10786.3 Ų86.340%0.40445%0.45SS..Hα-helixtrans-62.7-47175.2177.261.9178.7-174.54.4111.6L16 F17 L18 F23 V24 T159 I160L16-R20 WeakPolarHBondContact O-CB 3.35Å; L16-R20 PolarHBondContact O-N 3.48Å; F17-R20 WeakPolarHBondContact O-CB 3.31Å; F17-R20 PolarHBondContact O-N 3.07Å; L18-R20 VanDerWaalsContact C-N 3.3Å; L18-R20 PolarHBondContact O-N 3.37Å; R20-F23 PolarHBondContact O-N 2.64Å; R20-V24 WeakPolarHBondContact O-CB 3.31Å; R20-V24 VanDerWaalsContact O-CG2 3.28Å; R20-V24 WeakPolarHBondContact O-CG2 3.38Å; R20-V24 PolarHBondContact O-N 3.48Å; R20-T159 PolarHBondContact NH2-O 3.46Å; R20-I160 WeakPolarHBondContact CG-O 3.33Å; R20-I160 PolarHBondContact NE-O 3.46Å
21V90.5Very high83.9Confident33 Ų3387 Ų8720%0.245%0.451CS..Hα-helixtrans-59.5-49.6176.5171.70000110.4F17 L18 F23 V24 L25 I160F17-V21 HydrophobicContact CD1-CG2 4.21Å; F17-V21 HydrophobicContact CE1-CG2 3.82Å; F17-V21 HydrophobicContact CE2-CG2 4.44Å; F17-V21 HydrophobicContact CZ-CG2 3.94Å; F17-V21 WeakPolarHBondContact O-CG2 3.47Å; F17-V21 PolarHBondContact O-N 3.26Å; L18-V21 PolarHBondContact O-N 3.06Å; V21-F23 PolarHBondContact O-N 2.89Å; V21-V24 PolarHBondContact O-N 2.69Å; V21-L25 HydrophobicContact CG1-CD1 3.81Å; V21-L25 HydrophobicContact CG1-CG 4.41Å; V21-L25 WeakPolarHBondContact O-CG 3.25Å; V21-L25 PolarHBondContact O-N 3.49Å; V21-I160 HydrophobicContact CG2-CD1 4.3Å; V21-I160 HydrophobicContact CG2-CG1 4.45Å; V21-I160 HydrophobicContact CG2-CG2 3.67Å
22Y90.4Very high81.6Confident148 Ų14886 Ų8658%0.5846%0.457SS*.Hα-helixtrans-57-48.1177.9176.2-95.9000111.7L18 L19 V24 L25 N26L18-Y22 WeakPolarHBondContact O-CB 3.33Å; L18-Y22 PolarHBondContact O-N 2.92Å; L19-Y22 PolarHBondContact O-N 3.18Å; Y22-V24 PolarHBondContact O-N 3.48Å; Y22-L25 PolarHBondContact O-N 2.7Å; Y22-N26 WeakPolarHBondContact CE2-ND2 3.18Å; Y22-N26 WeakPolarHBondContact O-CB 3.29Å; Y22-N26 PolarHBondContact O-N 3.44Å; Y22-N26 PolarHBondContact OH-ND2 2.93Å; Y22-N26 VanDerWaalsContact OH-ND2 3.17Å
23F89.1Confident79.5Confident129 Ų12987.7 Ų87.757%0.56647%0.472SS*.Hα-helixtrans-65.1-39.9179.4-172.6-97.5000112.1L19 R20 V21 S27L19-F23 WeakPolarHBondContact O-CB 3.28Å; L19-F23 PolarHBondContact O-N 3.48Å; R20-F23 PolarHBondContact O-N 2.64Å; V21-F23 PolarHBondContact O-N 2.89Å; F23-S27 VanDerWaalsContact CD1-OG 3.31Å; F23-S27 WeakPolarHBondContact CD1-OG 3.26Å; F23-S27 WeakPolarHBondContact CE1-OG 3.27Å; F23-S27 WeakPolarHBondContact CE2-OG 3.32Å; F23-S27 WeakPolarHBondContact CZ-OG 3.49Å; F23-S27 WeakPolarHBondContact O-CA 3.48Å; F23-S27 WeakPolarHBondContact O-CB 3.33Å; F23-S27 PolarHBondContact O-N 3.47Å; F23-S27 PolarHBondContact O-OG 3.07Å
24V87.6Confident77.7Confident23 Ų2392 Ų9214%0.13948%0.484CS..Hα-helixtrans-65.2-40.8177.8167.20000111.5R20 V21 Y22 L156 T159 I160R20-V24 WeakPolarHBondContact O-CB 3.31Å; R20-V24 VanDerWaalsContact O-CG2 3.28Å; R20-V24 WeakPolarHBondContact O-CG2 3.38Å; R20-V24 PolarHBondContact O-N 3.48Å; V21-V24 PolarHBondContact O-N 2.69Å; Y22-V24 PolarHBondContact O-N 3.48Å; V24-L156 HydrophobicContact CG1-CD1 3.95Å; V24-T159 HydrophobicContact CG1-CG2 3.68Å; V24-T159 HydrophobicContact CG2-CG2 4.34Å; V24-I160 HydrophobicContact CB-CG1 4.44Å; V24-I160 HydrophobicContact CG1-CG1 4.08Å
25L85.6Confident75.8Confident80 Ų8096.9 Ų96.942%0.41951%0.509SS..Hα-helixtrans-73.4-33.5179.8-67175.1000112.9V21 Y22 L156V21-L25 HydrophobicContact CG1-CD1 3.81Å; V21-L25 HydrophobicContact CG1-CG 4.41Å; V21-L25 WeakPolarHBondContact O-CG 3.25Å; V21-L25 PolarHBondContact O-N 3.49Å; Y22-L25 PolarHBondContact O-N 2.7Å; L25-L156 HydrophobicContact CD2-CD1 4.04Å; L25-L156 HydrophobicContact CD2-CD2 4.03Å
26N82.8Confident74.2Confident100 Ų10099.9 Ų99.954%0.53552%0.516SS..Hα-helixtrans-95.5-17.2-178-76.14000114.2Y22 G28Y22-N26 WeakPolarHBondContact CE2-ND2 3.18Å; Y22-N26 WeakPolarHBondContact O-CB 3.29Å; Y22-N26 PolarHBondContact O-N 3.44Å; Y22-N26 PolarHBondContact OH-ND2 2.93Å; Y22-N26 VanDerWaalsContact OH-ND2 3.17Å; N26-G28 PolarHBondContact O-N 2.92Å
27S71.7Confident73.2Confident36 Ų3699.6 Ų99.625%0.25252%0.522SS..SBendtrans-72.283.6168.2-66.50000107.9F23F23-S27 VanDerWaalsContact CD1-OG 3.31Å; F23-S27 WeakPolarHBondContact CD1-OG 3.26Å; F23-S27 WeakPolarHBondContact CE1-OG 3.27Å; F23-S27 WeakPolarHBondContact CE2-OG 3.32Å; F23-S27 WeakPolarHBondContact CZ-OG 3.49Å; F23-S27 WeakPolarHBondContact O-CA 3.48Å; F23-S27 WeakPolarHBondContact O-CB 3.33Å; F23-S27 PolarHBondContact O-N 3.47Å; F23-S27 PolarHBondContact O-OG 3.07Å
28G61Low72.9Confident42 Ų4299.2 Ų99.243%0.43352%0.522SS..  trans-48.6157.3163.800000110.1N26 N30N26-G28 PolarHBondContact O-N 2.92Å; G28-N30 PolarHBondContact O-N 2.92Å
29S58.8Low72.8Confident35 Ų3595.4 Ų95.425%0.24550%0.503CS..SBendtrans-65.361.9-171.2-157.30000113.8H31 Y193S29-H31 VanDerWaalsContact C-N 3.26Å; S29-H31 PolarHBondContact O-N 2.89Å; S29-Y193 VanDerWaalsContact CB-OH 3.29Å; S29-Y193 WeakPolarHBondContact CB-OH 3.17Å; S29-Y193 WeakPolarHBondContact OG-CE2 3.34Å; S29-Y193 VanDerWaalsContact OG-CZ 3.3Å; S29-Y193 PolarHBondContact OG-OH 3.18Å
30N49.9Very low72.9Confident145 Ų14591.4 Ų91.478%0.77548%0.483SS*.  trans-92.414.4-179.3-73.9-18.3000111.7G28G28-N30 PolarHBondContact O-N 2.92Å
31H50.2Low73.1Confident128 Ų12886.4 Ų86.459%0.59347%0.465SS*.SBendtrans-109.3112.2175.8-76.149.1000107.6S29S29-H31 VanDerWaalsContact C-N 3.26Å; S29-H31 PolarHBondContact O-N 2.89Å
32P48.3Very low73.4Confident112 Ų11284.8 Ų84.873%0.72746%0.455SS*.PPolyproline II helixtrans-54140.6172.223.1-31.1000107.9K34P32-K34 PolarHBondContact O-N 2.79Å; P32-K34 VanDerWaalsContact O-N 3.07Å
33P53.3Low73.7Confident109 Ų10977.8 Ų77.871%0.70843%0.427SS*.PPolyproline II helixtrans-50.2126.8172.420.8-29.9000106.7T35P33-T35 PolarHBondContact O-N 3.13Å
34K54.8Low74Confident169 Ų16971.6 Ų71.674%0.73540%0.401SS*.PPolyproline II helixtrans-46.5135168.7-80.2-175.5174.1-176.40105.9P32 R36P32-K34 PolarHBondContact O-N 2.79Å; P32-K34 VanDerWaalsContact O-N 3.07Å; K34-R36 HydrophobicContact CB-CG 4.3Å; K34-R36 PolarHBondContact O-N 2.82Å
35T54.5Low74.3Confident153 Ų15370.7 Ų70.794%0.93940%0.395SS*.  trans-60.269.5176.747.30000109.8P33P33-T35 PolarHBondContact O-N 3.13Å
36R61.9Low74.3Confident136 Ų13667.1 Ų67.151%0.51338%0.378SS..  trans-93.6132.6171.4-71.8-172.9172.2167.6-0.5105.4K34 H38 D138K34-R36 HydrophobicContact CB-CG 4.3Å; K34-R36 PolarHBondContact O-N 2.82Å; R36-H38 WeakPolarHBondContact CB-O 3.42Å; R36-H38 PolarHBondContact O-N 3.4Å; R36-D138 IonicContact NH1-OD1 2.83Å; R36-D138 PolarHBondContact NH1-OD1 3.06Å; R36-D138 IonicContact NH1-OD2 3.79Å
37S74.6Confident74.3Confident94 Ų9464.7 Ų64.766%0.65737%0.369SS*.SBendtrans-60.1-25.7172.248.40000112A64S37-A64 WeakPolarHBondContact O-CB 3.25Å
38H87.4Confident75Confident100 Ų10064.6 Ų64.646%0.46337%0.373SS..  trans-132.5142.9-178.8-57.5-69.6000113.1R36 A64 T66R36-H38 WeakPolarHBondContact CB-O 3.42Å; R36-H38 PolarHBondContact O-N 3.4Å; H38-A64 CarbonylContact C-O 3.48Å; H38-A64 WeakPolarHBondContact CA-O 3.28Å; H38-T66 HydrophobicContact CB-CG2 4.08Å; H38-T66 WeakPolarHBondContact ND1-CG2 3.23Å
39V91.4Very high76.2Confident29 Ų2965 Ų6518%0.17638%0.377CS..  trans-124112.8178.5179.70000108.1V41 A64 Y65 T66 D138 V139V39-V41 HydrophobicContact CG1-CG2 4.37Å; V39-V41 PolarHBondContact O-N 2.77Å; V39-A64 PolarHBondContact N-O 2.86Å; V39-Y65 HydrophobicContact CB-CD1 3.83Å; V39-Y65 HydrophobicContact CB-CE1 4.14Å; V39-Y65 HydrophobicContact CG1-CD1 3.88Å; V39-Y65 HydrophobicContact CG1-CE1 3.98Å; V39-Y65 CarbonylContact O-C 3.56Å; V39-Y65 WeakPolarHBondContact O-CA 3.36Å; V39-T66 CarbonylContact C-O 3.44Å; V39-T66 PolarHBondContact O-N 2.92Å; V39-D138 HydrophobicContact CG1-CB 3.8Å; V39-V139 HydrophobicContact CG1-CG2 3.95Å
40A94.4Very high77.8Confident11 Ų1166 Ų669%0.09138%0.378CS..  trans-71.5123.5176.500000109.9P67 D138 V139A40-P67 WeakPolarHBondContact CA-O 3.41Å; A40-P67 HydrophobicContact CB-CG 4.15Å; A40-D138 PolarHBondContact N-OD2 3.26Å; A40-D138 PolarHBondContact O-N 2.78Å; A40-V139 PolarHBondContact O-N 2.92Å; A40-V139 VanDerWaalsContact O-N 3.13Å
41V96Very high79.8Confident2 Ų259.1 Ų59.11%0.01234%0.341CS..EExtended strand (participates in β ladder)trans-114.9128.9-176.9-172.20000110.5V39 V43 Y65 P67 H69 V139 L141V39-V41 HydrophobicContact CG1-CG2 4.37Å; V39-V41 PolarHBondContact O-N 2.77Å; V41-V43 HydrophobicContact CB-CG2 4.45Å; V41-V43 HydrophobicContact CG1-CG2 3.68Å; V41-Y65 HydrophobicContact CG2-CD1 3.38Å; V41-Y65 HydrophobicContact CG2-CE1 4.37Å; V41-Y65 HydrophobicContact CG2-CG 4.02Å; V41-P67 PolarHBondContact N-O 3.22Å; V41-H69 PolarHBondContact O-N 2.8Å; V41-V139 CarbonylContact C-O 3.47Å; V41-V139 WeakPolarHBondContact CA-O 3.43Å; V41-L141 HydrophobicContact CG1-CB 4.12Å
42L97.5Very high81.9Confident0 Ų055.7 Ų55.70%033%0.329CS..EExtended strand (participates in β ladder)trans-98.1115.4166-173.3150.3000109.2V44 H69 V71 V132 L135 P137 V139 V140 L141 L151L42-V44 HydrophobicContact CD2-CG2 3.78Å; L42-H69 CarbonylContact C-O 3.55Å; L42-H69 VanDerWaalsContact CA-O 3.28Å; L42-H69 WeakPolarHBondContact CA-O 3.49Å; L42-V71 HydrophobicContact CD1-CG2 4.03Å; L42-V71 HydrophobicContact CD2-CG2 3.88Å; L42-V71 HydrophobicContact CG-CG2 3.87Å; L42-V132 HydrophobicContact CD1-CG2 4.02Å; L42-L135 HydrophobicContact CD1-CD1 3.99Å; L42-P137 HydrophobicContact CB-CB 3.66Å; L42-P137 HydrophobicContact CB-CG 3.8Å; L42-P137 HydrophobicContact CD1-CG 4.12Å; L42-V139 PolarHBondContact N-O 3.36Å; L42-V140 HydrophobicContact CB-CG2 4.31Å; L42-V140 HydrophobicContact CD2-CG1 4.01Å; L42-V140 HydrophobicContact CD2-CG2 4.36Å; L42-V140 CarbonylContact O-C 3.19Å; L42-V140 VanDerWaalsContact O-CA 3.3Å; L42-V140 WeakPolarHBondContact O-CA 3.2Å; L42-L141 PolarHBondContact O-N 2.85Å; L42-L151 HydrophobicContact CD2-CD1 4.36Å; L42-L151 HydrophobicContact CD2-CD2 4.44Å
43V97.3Very high84Confident0 Ų050.9 Ų50.90%030%0.297CS..EExtended strand (participates in β ladder)trans-106.4121.8-176.1-176.30000108.8V41 I54 M58 H69 Y70 V71 L141V41-V43 HydrophobicContact CB-CG2 4.45Å; V41-V43 HydrophobicContact CG1-CG2 3.68Å; V43-I54 HydrophobicContact CG1-CD1 4.3Å; V43-I54 HydrophobicContact CG1-CG2 3.26Å; V43-M58 HydrophobicContact CG1-CG 4.4Å; V43-M58 HydrophobicContact CG1-SD 4.27Å; V43-M58 HydrophobicContact CG2-CE 3.92Å; V43-M58 HydrophobicContact CG2-SD 3.54Å; V43-M58 VanDerWaalsContact CG2-SD 3.54Å; V43-H69 PolarHBondContact N-O 3.01Å; V43-Y70 HydrophobicContact CB-CD1 3.68Å; V43-Y70 HydrophobicContact CB-CE1 3.83Å; V43-Y70 HydrophobicContact CG1-CD1 3.89Å; V43-Y70 HydrophobicContact CG1-CE1 3.87Å; V43-Y70 HydrophobicContact CG2-CD1 4.33Å; V43-Y70 HydrophobicContact CG2-CE1 4.04Å; V43-Y70 CarbonylContact O-C 3.3Å; V43-Y70 WeakPolarHBondContact O-CA 3.47Å; V43-V71 PolarHBondContact O-N 3.1Å; V43-L141 WeakPolarHBondContact CA-O 3.01Å
44V95.8Very high86Confident0 Ų045.7 Ų45.70%026%0.263CS..EExtended strand (participates in β ladder)trans-96.4109.9177.3-167.40000109.2L42 V140 L141 C142 L151L42-V44 HydrophobicContact CD2-CG2 3.78Å; V44-V140 HydrophobicContact CG2-CG1 4.27Å; V44-L141 PolarHBondContact N-O 3.38Å; V44-C142 HydrophobicContact CB-CB 3.79Å; V44-C142 HydrophobicContact CG2-CB 3.87Å; V44-L151 HydrophobicContact CB-CD1 4.24Å; V44-L151 HydrophobicContact CG1-CD1 3.75Å; V44-L151 HydrophobicContact CG2-CB 4.32Å; V44-L151 HydrophobicContact CG2-CD1 3.46Å; V44-L151 VanDerWaalsContact CG2-CD1 3.46Å
45A92.2Very high87.9Confident3 Ų338.2 Ų38.23%0.02523%0.231CC..PPolyproline II helixtrans-96.9127177.300000110.3T51 V71 I72 I83A45-T51 HydrophobicContact CB-CG2 4.08Å; A45-V71 PolarHBondContact N-O 3.1Å; A45-I72 HydrophobicContact CB-CG2 3.98Å; A45-I83 HydrophobicContact CB-CD1 4.1Å
46G85.5Confident89.7Confident5 Ų537 Ų375%0.05221%0.209CC..PPolyproline II helixtrans-93.5163.1170.800000111.4T51 S79G46-T51 WeakPolarHBondContact O-CA 3.29Å; G46-T51 WeakPolarHBondContact O-CB 3.15Å; G46-T51 PolarHBondContact O-N 3.37Å; G46-T51 PolarHBondContact O-OG1 3.07Å; G46-S79 PolarHBondContact O-OG 2.94Å
47S83.8Confident91.2Very high50 Ų5031.6 Ų31.635%0.3519%0.19SC..THydrogen-bonded Turntrans-69.4146.1179.756.10000113.1D76 R106S47-D76 WeakPolarHBondContact CA-OD2 3.19Å; S47-D76 WeakPolarHBondContact CB-OD2 3.42Å; S47-D76 PolarHBondContact N-OD2 3.08Å; S47-D76 VanDerWaalsContact N-OD2 3.1Å; S47-R106 PolarHBondContact OG-NH2 2.78Å
48G85.4Confident92Very high33 Ų3327.1 Ų27.134%0.3416%0.159SC..THydrogen-bonded Turntrans79.2-121.4169.600000113.3H50 T51 T52 K82G48-H50 VanDerWaalsContact C-N 3.35Å; G48-T51 PolarHBondContact N-OG1 3.07Å; G48-T51 PolarHBondContact O-N 2.91Å; G48-T51 PolarHBondContact O-OG1 3.19Å; G48-T52 PolarHBondContact O-OG1 2.88Å; G48-K82 PolarHBondContact O-NZ 2.8Å
49G87.9Confident92.2Very high50 Ų5028 Ų2852%0.51516%0.163SC..Hα-helixtrans-66.8-33.5-17800000113.3T51 T52 E53G49-T51 VanDerWaalsContact C-N 3.34Å; G49-T51 PolarHBondContact O-N 2.98Å; G49-T52 PolarHBondContact O-N 3.43Å; G49-T52 VanDerWaalsContact O-N 3.15Å; G49-E53 WeakPolarHBondContact O-CG 3.3Å; G49-E53 PolarHBondContact O-N 3.29Å
50H91.4Very high92.1Very high56 Ų5631.6 Ų31.626%0.25919%0.19SC..Hα-helixtrans-62.3-38.9177.6-72.7-65.8000112.6G48 T52 E53 I54 N143G48-H50 VanDerWaalsContact C-N 3.35Å; H50-T52 VanDerWaalsContact C-N 3.32Å; H50-T52 PolarHBondContact O-N 3.12Å; H50-E53 IonicContact ND1-OE2 2.6Å; H50-I54 PolarHBondContact O-N 2.99Å; H50-N143 PolarHBondContact CE1-O 3.34Å; H50-N143 PolarHBondContact ND1-O 2.93Å; H50-N143 PolarHBondContact O-ND2 2.92Å
51T92.9Very high91.8Very high1 Ų133 Ų331%0.00620%0.196CC..Hα-helixtrans-59.3-48173.8-24.10000110.3A45 G46 G48 G49 E53 I54 M55 S79 K82A45-T51 HydrophobicContact CB-CG2 4.08Å; G46-T51 WeakPolarHBondContact O-CA 3.29Å; G46-T51 WeakPolarHBondContact O-CB 3.15Å; G46-T51 PolarHBondContact O-N 3.37Å; G46-T51 PolarHBondContact O-OG1 3.07Å; G48-T51 PolarHBondContact N-OG1 3.07Å; G48-T51 PolarHBondContact O-N 2.91Å; G48-T51 PolarHBondContact O-OG1 3.19Å; G49-T51 VanDerWaalsContact C-N 3.34Å; G49-T51 PolarHBondContact O-N 2.98Å; T51-E53 VanDerWaalsContact C-N 3.35Å; T51-E53 PolarHBondContact O-N 2.83Å; T51-I54 PolarHBondContact O-N 3.46Å; T51-M55 HydrophobicContact CG2-CG 4.48Å; T51-M55 VanDerWaalsContact O-CG 3.31Å; T51-M55 WeakPolarHBondContact O-CG 3.19Å; T51-M55 PolarHBondContact O-N 3.49Å; T51-S79 WeakPolarHBondContact CG2-OG 3.07Å; T51-S79 PolarHBondContact OG1-OG 2.93Å; T51-K82 HydrophobicContact CG2-CB 4.26Å; T51-K82 HydrophobicContact CG2-CD 4.07Å
52T92.4Very high91.5Very high56 Ų5636 Ų3634%0.34422%0.217SC..Hα-helixtrans-62.7-43.7-175.5-55.20000111G48 G49 H50 M55 R56 K82G48-T52 PolarHBondContact O-OG1 2.88Å; G49-T52 PolarHBondContact O-N 3.43Å; G49-T52 VanDerWaalsContact O-N 3.15Å; H50-T52 VanDerWaalsContact C-N 3.32Å; H50-T52 PolarHBondContact O-N 3.12Å; T52-M55 PolarHBondContact O-N 3.02Å; T52-R56 WeakPolarHBondContact O-CG 3.37Å; T52-R56 PolarHBondContact O-N 3.15Å; T52-K82 PolarHBondContact OG1-NZ 3.37Å
53E94.4Very high90.9Very high12 Ų1238.1 Ų38.16%0.05623%0.234CC..Hα-helixtrans-57.3-49.4173.3-71.6179.9175.700111.2G49 H50 T51 M55 R56 L57 N143 S173 I174 V215G49-E53 WeakPolarHBondContact O-CG 3.3Å; G49-E53 PolarHBondContact O-N 3.29Å; H50-E53 IonicContact ND1-OE2 2.6Å; T51-E53 VanDerWaalsContact C-N 3.35Å; T51-E53 PolarHBondContact O-N 2.83Å; E53-M55 PolarHBondContact O-N 3.16Å; E53-R56 PolarHBondContact O-N 3.41Å; E53-L57 WeakPolarHBondContact O-CG 3.49Å; E53-L57 PolarHBondContact O-N 3.15Å; E53-L57 VanDerWaalsContact O-N 3.07Å; E53-N143 VanDerWaalsContact CB-ND2 3.3Å; E53-N143 WeakPolarHBondContact CB-ND2 2.97Å; E53-N143 PolarHBondContact OE2-ND2 2.71Å; E53-S173 WeakPolarHBondContact OE1-CB 3.33Å; E53-S173 PolarHBondContact OE1-OG 3.1Å; E53-I174 WeakPolarHBondContact OE1-CG2 3.48Å; E53-I174 PolarHBondContact OE1-N 2.91Å; E53-I174 VanDerWaalsContact OE1-N 3.1Å; E53-V215 HydrophobicContact CB-CB 3.96Å; E53-V215 HydrophobicContact CB-CG1 3.89Å; E53-V215 HydrophobicContact CB-CG2 4.11Å; E53-V215 HydrophobicContact CG-CB 3.93Å; E53-V215 HydrophobicContact CG-CG1 4.42Å; E53-V215 HydrophobicContact CG-CG2 3.82Å; E53-V215 WeakPolarHBondContact O-CG1 3.4Å
54I94.3Very high90.5Very high0 Ų039.7 Ų39.70%025%0.247CC..Hα-helixtrans-63.4-40.4179.3-84.2-76.9000112.4V43 H50 T51 R56 L57 M58 L141 N143V43-I54 HydrophobicContact CG1-CD1 4.3Å; V43-I54 HydrophobicContact CG1-CG2 3.26Å; H50-I54 PolarHBondContact O-N 2.99Å; T51-I54 PolarHBondContact O-N 3.46Å; I54-R56 VanDerWaalsContact C-N 3.33Å; I54-R56 PolarHBondContact O-N 2.98Å; I54-L57 HydrophobicContact CD1-CD1 4.14Å; I54-L57 WeakPolarHBondContact O-CB 3.47Å; I54-L57 PolarHBondContact O-N 3.42Å; I54-M58 HydrophobicContact CG2-CG 4.29Å; I54-M58 VanDerWaalsContact O-CG 3.29Å; I54-M58 WeakPolarHBondContact O-CG 2.87Å; I54-M58 PolarHBondContact O-N 3.46Å; I54-L141 HydrophobicContact CD1-CD2 4.34Å; I54-L141 HydrophobicContact CD1-CG 3.99Å; I54-N143 HydrophobicContact CD1-CB 4.17Å; I54-N143 HydrophobicContact CG1-CB 4.02Å; I54-N143 WeakPolarHBondContact CG1-OD1 3.31Å
55M93.7Very high90.3Very high12 Ų1243.5 Ų43.56%0.05926%0.262CS..Hα-helixtrans-61.6-42.3176.7-65.4-62.494.200111.3T51 T52 E53 L57 M58 E59 Y70 I83 F86T51-M55 HydrophobicContact CG2-CG 4.48Å; T51-M55 VanDerWaalsContact O-CG 3.31Å; T51-M55 WeakPolarHBondContact O-CG 3.19Å; T51-M55 PolarHBondContact O-N 3.49Å; T52-M55 PolarHBondContact O-N 3.02Å; E53-M55 PolarHBondContact O-N 3.16Å; M55-L57 VanDerWaalsContact C-N 3.3Å; M55-L57 PolarHBondContact O-N 3.15Å; M55-M58 HydrophobicContact CE-CG 4.35Å; M55-M58 CarbonylContact O-C 3.59Å; M55-M58 WeakPolarHBondContact O-CA 3.43Å; M55-M58 WeakPolarHBondContact O-CB 3.37Å; M55-M58 PolarHBondContact O-N 3.19Å; M55-E59 WeakPolarHBondContact O-CG 3.29Å; M55-E59 PolarHBondContact O-N 2.91Å; M55-Y70 HydrophobicContact CE-CD1 4.24Å; M55-Y70 HydrophobicContact CE-CE1 3.67Å; M55-I83 HydrophobicContact CE-CG1 3.8Å; M55-I83 HydrophobicContact SD-CG1 3.95Å; M55-F86 HydrophobicContact SD-CB 3.7Å; M55-F86 HydrophobicContact SD-CD1 3.73Å; M55-F86 HydrophobicContact SD-CG 3.71Å
56R93.1Very high90.2Very high127 Ų12744.2 Ų44.248%0.47927%0.266SS..Hα-helixtrans-59.8-38.4173.7-75.9-178.7175.3-179-2.9112.9T52 E53 I54 E59 S60 V215T52-R56 WeakPolarHBondContact O-CG 3.37Å; T52-R56 PolarHBondContact O-N 3.15Å; E53-R56 PolarHBondContact O-N 3.41Å; I54-R56 VanDerWaalsContact C-N 3.33Å; I54-R56 PolarHBondContact O-N 2.98Å; R56-E59 WeakPolarHBondContact O-CB 3.15Å; R56-E59 PolarHBondContact O-N 3.25Å; R56-S60 PolarHBondContact O-OG 2.66Å; R56-V215 HydrophobicContact CB-CG1 4.03Å; R56-V215 VanDerWaalsContact CD-OXT 3.27Å; R56-V215 WeakPolarHBondContact CD-OXT 3.35Å; R56-V215 PolarHBondContact NH1-OXT 3.38Å
57L93.4Very high90.6Very high22 Ų2246 Ų4612%0.11528%0.277CS..Hα-helixtrans-65.1-43.4172.7-65172.1000111.4E53 I54 M55 E59 S60 L61 V171 I214 V215E53-L57 WeakPolarHBondContact O-CG 3.49Å; E53-L57 PolarHBondContact O-N 3.15Å; E53-L57 VanDerWaalsContact O-N 3.07Å; I54-L57 HydrophobicContact CD1-CD1 4.14Å; I54-L57 WeakPolarHBondContact O-CB 3.47Å; I54-L57 PolarHBondContact O-N 3.42Å; M55-L57 VanDerWaalsContact C-N 3.3Å; M55-L57 PolarHBondContact O-N 3.15Å; L57-E59 VanDerWaalsContact C-N 3.31Å; L57-E59 PolarHBondContact O-N 3.35Å; L57-S60 PolarHBondContact O-N 2.64Å; L57-S60 VanDerWaalsContact O-N 3.16Å; L57-L61 PolarHBondContact O-N 3.01Å; L57-V171 HydrophobicContact CD1-CB 4.07Å; L57-V171 HydrophobicContact CD1-CG1 4.15Å; L57-V171 HydrophobicContact CD1-CG2 3.86Å; L57-I214 HydrophobicContact CD2-CB 4.37Å; L57-I214 HydrophobicContact CD2-CD1 3.77Å; L57-I214 HydrophobicContact CD2-CG1 4Å; L57-V215 HydrophobicContact CD1-CG1 4.24Å; L57-V215 HydrophobicContact CD2-CG1 3.8Å; L57-V215 HydrophobicContact CG-CG1 3.61Å
58M92.6Very high91.1Very high0 Ų043.7 Ų43.70%026%0.261CS..Hα-helixtrans-66.6-28.3178.8-68-57.1-61.800113.4V43 I54 M55 S60 L61 R68 Y70 F86 K90 L141V43-M58 HydrophobicContact CG1-CG 4.4Å; V43-M58 HydrophobicContact CG1-SD 4.27Å; V43-M58 HydrophobicContact CG2-CE 3.92Å; V43-M58 HydrophobicContact CG2-SD 3.54Å; V43-M58 VanDerWaalsContact CG2-SD 3.54Å; I54-M58 HydrophobicContact CG2-CG 4.29Å; I54-M58 VanDerWaalsContact O-CG 3.29Å; I54-M58 WeakPolarHBondContact O-CG 2.87Å; I54-M58 PolarHBondContact O-N 3.46Å; M55-M58 HydrophobicContact CE-CG 4.35Å; M55-M58 CarbonylContact O-C 3.59Å; M55-M58 WeakPolarHBondContact O-CA 3.43Å; M55-M58 WeakPolarHBondContact O-CB 3.37Å; M55-M58 PolarHBondContact O-N 3.19Å; M58-S60 PolarHBondContact O-N 2.8Å; M58-L61 HydrophobicContact CE-CD1 3.94Å; M58-L61 PolarHBondContact O-N 3.08Å; M58-L61 HydrophobicContact SD-CD1 3.52Å; M58-L61 VanDerWaalsContact SD-CD1 3.52Å; M58-L61 HydrophobicContact SD-CG 4.47Å; M58-R68 HydrophobicContact CE-CG 4.15Å; M58-Y70 HydrophobicContact CG-CE1 4.43Å; M58-F86 HydrophobicContact CB-CE1 3.75Å; M58-F86 HydrophobicContact CB-CZ 3.61Å; M58-K90 PolarHBondContact O-NZ 3.19Å; M58-L141 HydrophobicContact SD-CD2 3.89Å
59E90.9Very high91.6Very high118 Ų11843 Ų4355%0.55125%0.248SC*.Hα-helixtrans-58.9-39.5171.4-76.6170.3-169.700111.3M55 R56 L57 L61 F86M55-E59 WeakPolarHBondContact O-CG 3.29Å; M55-E59 PolarHBondContact O-N 2.91Å; R56-E59 WeakPolarHBondContact O-CB 3.15Å; R56-E59 PolarHBondContact O-N 3.25Å; L57-E59 VanDerWaalsContact C-N 3.31Å; L57-E59 PolarHBondContact O-N 3.35Å; E59-L61 VanDerWaalsContact C-N 3.33Å; E59-F86 HydrophobicContact CB-CE2 4.38Å; E59-F86 HydrophobicContact CG-CD2 4.15Å; E59-F86 HydrophobicContact CG-CE2 3.45Å; E59-F86 VanDerWaalsContact CG-CE2 3.45Å; E59-F86 HydrophobicContact CG-CZ 4.38Å
60S89.4Confident92.1Very high105 Ų10540.6 Ų40.673%0.73422%0.224SC*.THydrogen-bonded Turntrans-81-10.8-177.5-570000113.7R56 L57 M58R56-S60 PolarHBondContact O-OG 2.66Å; L57-S60 PolarHBondContact O-N 2.64Å; L57-S60 VanDerWaalsContact O-N 3.16Å; M58-S60 PolarHBondContact O-N 2.8Å
61L88.6Confident92.3Very high42 Ų4237.9 Ų37.922%0.2221%0.212CC..SBendtrans-80.3137.8177.6-65.2-172.3000111.8L57 M58 E59 Y65 L141L57-L61 PolarHBondContact O-N 3.01Å; M58-L61 HydrophobicContact CE-CD1 3.94Å; M58-L61 PolarHBondContact O-N 3.08Å; M58-L61 HydrophobicContact SD-CD1 3.52Å; M58-L61 VanDerWaalsContact SD-CD1 3.52Å; M58-L61 HydrophobicContact SD-CG 4.47Å; E59-L61 VanDerWaalsContact C-N 3.33Å; L61-Y65 HydrophobicContact CB-CD2 3.9Å; L61-Y65 HydrophobicContact CB-CE2 4.49Å; L61-Y65 HydrophobicContact CB-CG 4.39Å; L61-Y65 HydrophobicContact CD1-CD2 4.41Å; L61-Y65 HydrophobicContact CD1-CG 4.24Å; L61-Y65 HydrophobicContact CD2-CD2 4.19Å; L61-Y65 HydrophobicContact CD2-CE2 4.01Å; L61-Y65 HydrophobicContact CG-CD2 4.39Å; L61-L141 HydrophobicContact CD1-CD2 4.26Å
62S88.5Confident92.4Very high65 Ų6537.9 Ų37.946%0.45521%0.211SC..  trans-68.6168.7177.871.80000113A64 Y65S62-A64 PolarHBondContact O-N 2.93Å; S62-A64 VanDerWaalsContact O-N 3.17Å; S62-A64 PolarHBondContact OG-N 2.79Å; S62-Y65 PolarHBondContact O-N 3.1Å
63A85.9Confident92.4Very high44 Ų4435.4 Ų35.436%0.36420%0.197SC..THydrogen-bonded Turntrans-61.3-20.1175.100000113.8Y65 T66 H94A63-Y65 PolarHBondContact O-N 2.76Å; A63-T66 WeakPolarHBondContact O-CG2 3.17Å; A63-H94 VanDerWaalsContact CB-CE1 3.46Å; A63-H94 WeakPolarHBondContact CB-CE1 3.09Å
64A88.3Confident92.1Very high33 Ų3338.6 Ų38.627%0.27321%0.214SC..THydrogen-bonded Turntrans-64-23.6179.500000112.2S37 H38 V39 S62 T66S37-A64 WeakPolarHBondContact O-CB 3.25Å; H38-A64 CarbonylContact C-O 3.48Å; H38-A64 WeakPolarHBondContact CA-O 3.28Å; V39-A64 PolarHBondContact N-O 2.86Å; S62-A64 PolarHBondContact O-N 2.93Å; S62-A64 VanDerWaalsContact O-N 3.17Å; S62-A64 PolarHBondContact OG-N 2.79Å; A64-T66 VanDerWaalsContact C-N 3.32Å; A64-T66 PolarHBondContact O-N 3.12Å
65Y91.1Very high91.6Very high80 Ų8042.9 Ų42.931%0.31424%0.24SC..SBendtrans-81.879.1176.8-65.8-80.6000110.9V39 V41 L61 S62 A63 R68V39-Y65 HydrophobicContact CB-CD1 3.83Å; V39-Y65 HydrophobicContact CB-CE1 4.14Å; V39-Y65 HydrophobicContact CG1-CD1 3.88Å; V39-Y65 HydrophobicContact CG1-CE1 3.98Å; V39-Y65 CarbonylContact O-C 3.56Å; V39-Y65 WeakPolarHBondContact O-CA 3.36Å; V41-Y65 HydrophobicContact CG2-CD1 3.38Å; V41-Y65 HydrophobicContact CG2-CE1 4.37Å; V41-Y65 HydrophobicContact CG2-CG 4.02Å; L61-Y65 HydrophobicContact CB-CD2 3.9Å; L61-Y65 HydrophobicContact CB-CE2 4.49Å; L61-Y65 HydrophobicContact CB-CG 4.39Å; L61-Y65 HydrophobicContact CD1-CD2 4.41Å; L61-Y65 HydrophobicContact CD1-CG 4.24Å; L61-Y65 HydrophobicContact CD2-CD2 4.19Å; L61-Y65 HydrophobicContact CD2-CE2 4.01Å; L61-Y65 HydrophobicContact CG-CD2 4.39Å; S62-Y65 PolarHBondContact O-N 3.1Å; A63-Y65 PolarHBondContact O-N 2.76Å; Y65-R68 VanDerWaalsContact O-CG 3.23Å; Y65-R68 WeakPolarHBondContact O-CG 3.43Å; Y65-R68 PolarHBondContact O-NE 2.91Å; Y65-R68 VanDerWaalsContact O-NE 3.1Å
66T90.6Very high91.2Very high17 Ų1742.5 Ų42.510%0.10424%0.239CC..  trans-148.7145.4-179.9-176.10000109.8H38 V39 A63 A64H38-T66 HydrophobicContact CB-CG2 4.08Å; H38-T66 WeakPolarHBondContact ND1-CG2 3.23Å; V39-T66 CarbonylContact C-O 3.44Å; V39-T66 PolarHBondContact O-N 2.92Å; A63-T66 WeakPolarHBondContact O-CG2 3.17Å; A64-T66 VanDerWaalsContact C-N 3.32Å; A64-T66 PolarHBondContact O-N 3.12Å
67P93.1Very high90.8Very high44 Ų4443.5 Ų43.529%0.28625%0.246SC..SBendcis-67.9157.2-6.929.9-36.6000112.8A40 V41 Q98A40-P67 WeakPolarHBondContact CA-O 3.41Å; A40-P67 HydrophobicContact CB-CG 4.15Å; V41-P67 PolarHBondContact N-O 3.22Å; P67-Q98 WeakPolarHBondContact CA-O 3.35Å; P67-Q98 HydrophobicContact CB-CB 4.36Å
68R95Very high90.6Very high0 Ų048.2 Ų48.20%027%0.27CS..EExtended strand (participates in β ladder)trans-105.9114.7178.1-63.4177.4-176.6159.98.5110.6M58 Y65 Y70 E87 V97 Q98 F99 T100M58-R68 HydrophobicContact CE-CG 4.15Å; Y65-R68 VanDerWaalsContact O-CG 3.23Å; Y65-R68 WeakPolarHBondContact O-CG 3.43Å; Y65-R68 PolarHBondContact O-NE 2.91Å; Y65-R68 VanDerWaalsContact O-NE 3.1Å; R68-Y70 HydrophobicContact CB-CE2 3.96Å; R68-E87 WeakPolarHBondContact CD-OE1 3.31Å; R68-E87 IonicContact CZ-OE1 3.77Å; R68-E87 IonicContact NE-OE1 2.8Å; R68-E87 VanDerWaalsContact NH1-CD 3.32Å; R68-E87 IonicContact NH1-OE1 2.79Å; R68-E87 PolarHBondContact NH1-OE1 3.28Å; R68-E87 IonicContact NH1-OE2 3.8Å; R68-E87 PolarHBondContact NH1-OE2 3.19Å; R68-V97 HydrophobicContact CG-CG1 4.22Å; R68-Q98 PolarHBondContact N-O 2.85Å; R68-F99 HydrophobicContact CB-CB 4.13Å; R68-F99 CarbonylContact O-C 3.48Å; R68-F99 WeakPolarHBondContact O-CA 3.01Å; R68-T100 PolarHBondContact O-N 3.47Å
69H97Very high90.5Very high18 Ų1848.2 Ų48.28%0.08327%0.27CS..EExtended strand (participates in β ladder)trans-105.5103.8178.3-56.7-62.5000110.1V41 L42 V43 T100 L135V41-H69 PolarHBondContact O-N 2.8Å; L42-H69 CarbonylContact C-O 3.55Å; L42-H69 VanDerWaalsContact CA-O 3.28Å; L42-H69 WeakPolarHBondContact CA-O 3.49Å; V43-H69 PolarHBondContact N-O 3.01Å; H69-T100 PolarHBondContact ND1-OG1 2.9Å; H69-L135 HydrophobicContact CB-CD1 3.87Å
70Y96.9Very high90.6Very high0 Ų045.1 Ų45.10%026%0.255CS..EExtended strand (participates in β ladder)trans-81.6135173.5-63.1-79.7000110.3V43 M55 M58 R68 I83 E87 F99 T100 N102V43-Y70 HydrophobicContact CB-CD1 3.68Å; V43-Y70 HydrophobicContact CB-CE1 3.83Å; V43-Y70 HydrophobicContact CG1-CD1 3.89Å; V43-Y70 HydrophobicContact CG1-CE1 3.87Å; V43-Y70 HydrophobicContact CG2-CD1 4.33Å; V43-Y70 HydrophobicContact CG2-CE1 4.04Å; V43-Y70 CarbonylContact O-C 3.3Å; V43-Y70 WeakPolarHBondContact O-CA 3.47Å; M55-Y70 HydrophobicContact CE-CD1 4.24Å; M55-Y70 HydrophobicContact CE-CE1 3.67Å; M58-Y70 HydrophobicContact CG-CE1 4.43Å; R68-Y70 HydrophobicContact CB-CE2 3.96Å; Y70-I83 HydrophobicContact CD1-CD1 4Å; Y70-I83 HydrophobicContact CD1-CG1 4.12Å; Y70-I83 HydrophobicContact CD1-CG2 4.06Å; Y70-I83 HydrophobicContact CD2-CG2 3.48Å; Y70-I83 VanDerWaalsContact CD2-CG2 3.48Å; Y70-I83 HydrophobicContact CE1-CG2 4.27Å; Y70-I83 HydrophobicContact CE2-CG2 3.69Å; Y70-I83 HydrophobicContact CG-CD1 4.05Å; Y70-I83 HydrophobicContact CG-CG1 4.35Å; Y70-I83 HydrophobicContact CG-CG2 3.67Å; Y70-E87 HydrophobicContact CE2-CG 4.08Å; Y70-E87 VanDerWaalsContact CE2-OE1 3.31Å; Y70-E87 WeakPolarHBondContact CE2-OE1 3.46Å; Y70-E87 VanDerWaalsContact CZ-OE1 3.31Å; Y70-E87 PolarHBondContact OH-OE1 3.49Å; Y70-F99 HydrophobicContact CD2-CB 4.34Å; Y70-F99 HydrophobicContact CD2-CD2 4.27Å; Y70-F99 HydrophobicContact CE2-CB 4.02Å; Y70-F99 HydrophobicContact CE2-CD2 4.37Å; Y70-T100 PolarHBondContact N-O 3.08Å; Y70-N102 PolarHBondContact O-N 2.83Å
71V96.6Very high90.8Very high0 Ų046.6 Ų46.60%025%0.25CS..EExtended strand (participates in β ladder)trans-120.1123171.5-1730000109.2L42 V43 A45 N102 I104 L131 L151L42-V71 HydrophobicContact CD1-CG2 4.03Å; L42-V71 HydrophobicContact CD2-CG2 3.88Å; L42-V71 HydrophobicContact CG-CG2 3.87Å; V43-V71 PolarHBondContact O-N 3.1Å; A45-V71 PolarHBondContact N-O 3.1Å; V71-N102 VanDerWaalsContact CA-O 3.3Å; V71-N102 WeakPolarHBondContact CA-O 3.34Å; V71-N102 HydrophobicContact CG2-CB 4.46Å; V71-I104 HydrophobicContact CG1-CD1 3.89Å; V71-I104 HydrophobicContact CG1-CG1 3.78Å; V71-I104 HydrophobicContact CG1-CG2 4.16Å; V71-L131 HydrophobicContact CG1-CD2 4.37Å; V71-L131 HydrophobicContact CG2-CD2 4.11Å; V71-L151 HydrophobicContact CB-CD1 3.88Å; V71-L151 HydrophobicContact CG1-CD1 3.62Å; V71-L151 HydrophobicContact CG1-CD2 4.27Å; V71-L151 HydrophobicContact CG2-CD1 4.33Å; V71-L151 HydrophobicContact CG2-CD2 4.39Å
72I94.9Very high90.9Very high0 Ų048.5 Ų48.50%026%0.257CS..EExtended strand (participates in β ladder)trans-124.3162.4-179.764.8178.9000110.6A45 E80 I83 I101 N102 R103 I104A45-I72 HydrophobicContact CB-CG2 3.98Å; I72-E80 HydrophobicContact CD1-CB 3.74Å; I72-E80 HydrophobicContact CD1-CG 4.38Å; I72-I83 HydrophobicContact CG2-CD1 3.69Å; I72-I101 HydrophobicContact CD1-CG2 3.71Å; I72-I101 HydrophobicContact CG1-CG2 4.09Å; I72-N102 PolarHBondContact N-O 2.82Å; I72-R103 HydrophobicContact CD1-CG 4.18Å; I72-R103 HydrophobicContact CG1-CG 3.86Å; I72-R103 WeakPolarHBondContact O-CA 3.45Å; I72-I104 PolarHBondContact O-N 2.82Å
73A91.8Very high91.2Very high5 Ų545.4 Ų45.44%0.04124%0.235CC..EExtended strand (participates in β ladder)trans-72.9144.7172.200000111T75 D76 I104 R106A73-T75 PolarHBondContact O-N 2.82Å; A73-D76 HydrophobicContact CB-CB 4.15Å; A73-D76 WeakPolarHBondContact O-CB 3.28Å; A73-D76 PolarHBondContact O-N 2.81Å; A73-I104 CarbonylContact C-O 3.52Å; A73-I104 WeakPolarHBondContact CA-O 3.45Å; A73-R106 HydrophobicContact CB-CB 3.96Å; A73-R106 HydrophobicContact CB-CG 4.17Å
74D87.9Confident91.5Very high79 Ų7946.2 Ų46.242%0.42224%0.235SC..THydrogen-bonded Turntrans-53.7-29.9179.3-68.1-28.8000113.8D76 R103 I104 P105D74-D76 VanDerWaalsContact C-N 3.34Å; D74-R103 WeakPolarHBondContact OD1-CB 3.38Å; D74-I104 PolarHBondContact N-O 3.02Å; D74-I104 PolarHBondContact OD1-N 2.91Å; D74-P105 WeakPolarHBondContact OD2-CA 3.3Å
75T83.4Confident91.7Very high89 Ų8947.6 Ų47.655%0.54625%0.247SC..THydrogen-bonded Turntrans-86.2-2.4-178.151.70000113.8A73A73-T75 PolarHBondContact O-N 2.82Å
76D85.3Confident91.7Very high5 Ų544.4 Ų44.43%0.02724%0.235CC..  trans-10876.9-166.5-167.94.8000113.5S47 A73 D74 S79S47-D76 WeakPolarHBondContact CA-OD2 3.19Å; S47-D76 WeakPolarHBondContact CB-OD2 3.42Å; S47-D76 PolarHBondContact N-OD2 3.08Å; S47-D76 VanDerWaalsContact N-OD2 3.1Å; A73-D76 HydrophobicContact CB-CB 4.15Å; A73-D76 WeakPolarHBondContact O-CB 3.28Å; A73-D76 PolarHBondContact O-N 2.81Å; D74-D76 VanDerWaalsContact C-N 3.34Å; D76-S79 VanDerWaalsContact CG-CB 3.48Å; D76-S79 PolarHBondContact OD1-N 3.31Å; D76-S79 PolarHBondContact OD1-OG 2.81Å; D76-S79 VanDerWaalsContact OD2-CB 3.28Å; D76-S79 WeakPolarHBondContact OD2-CB 3.25Å; D76-S79 PolarHBondContact OD2-OG 2.78Å
77K86.4Confident91.8Very high147 Ų14744.5 Ų44.564%0.63923%0.234SC*.Hα-helixtrans-69.2-34.9177.2-64-177178.7-178.40113.2S79 E80 E81K77-S79 VanDerWaalsContact C-N 3.31Å; K77-S79 PolarHBondContact O-N 2.9Å; K77-E80 WeakPolarHBondContact O-CB 3.16Å; K77-E80 PolarHBondContact O-N 2.8Å; K77-E81 PolarHBondContact O-N 3.06Å
78M87.8Confident91.6Very high122 Ų12246.7 Ų46.760%0.60125%0.25SS*.Hα-helixtrans-64.4-37.1-178.7-70.5-172.4-70.600112.2E80 K82M78-E80 VanDerWaalsContact C-N 3.31Å; M78-E80 PolarHBondContact O-N 2.8Å; M78-K82 WeakPolarHBondContact O-CG 3.48Å; M78-K82 PolarHBondContact O-N 2.82Å; M78-K82 VanDerWaalsContact O-N 3.15Å
79S91.2Very high91.2Very high0 Ų051 Ų510%028%0.28CS..Hα-helixtrans-64-38.3176.1-71.60000112.2G46 T51 D76 K77 K82 I83G46-S79 PolarHBondContact O-OG 2.94Å; T51-S79 WeakPolarHBondContact CG2-OG 3.07Å; T51-S79 PolarHBondContact OG1-OG 2.93Å; D76-S79 VanDerWaalsContact CG-CB 3.48Å; D76-S79 PolarHBondContact OD1-N 3.31Å; D76-S79 PolarHBondContact OD1-OG 2.81Å; D76-S79 VanDerWaalsContact OD2-CB 3.28Å; D76-S79 WeakPolarHBondContact OD2-CB 3.25Å; D76-S79 PolarHBondContact OD2-OG 2.78Å; K77-S79 VanDerWaalsContact C-N 3.31Å; K77-S79 PolarHBondContact O-N 2.9Å; S79-K82 PolarHBondContact O-N 2.87Å; S79-I83 VanDerWaalsContact O-CD1 3.31Å; S79-I83 WeakPolarHBondContact O-CD1 3.38Å; S79-I83 WeakPolarHBondContact O-CG1 3.41Å; S79-I83 PolarHBondContact O-N 3.48Å
80E93.3Very high90.4Very high53 Ų5352 Ų5225%0.24829%0.285CS..Hα-helixtrans-62.7-48.9177.4-175.5171.9-156.200111.9I72 K77 M78 K82 I83 V84 I101 R103I72-E80 HydrophobicContact CD1-CB 3.74Å; I72-E80 HydrophobicContact CD1-CG 4.38Å; K77-E80 WeakPolarHBondContact O-CB 3.16Å; K77-E80 PolarHBondContact O-N 2.8Å; M78-E80 VanDerWaalsContact C-N 3.31Å; M78-E80 PolarHBondContact O-N 2.8Å; E80-K82 VanDerWaalsContact C-N 3.29Å; E80-K82 PolarHBondContact O-N 3.33Å; E80-I83 PolarHBondContact O-N 2.96Å; E80-I83 VanDerWaalsContact O-N 3.15Å; E80-V84 WeakPolarHBondContact O-CG2 3.19Å; E80-V84 PolarHBondContact O-N 3.46Å; E80-I101 HydrophobicContact CG-CD1 3.91Å; E80-I101 HydrophobicContact CG-CG2 4.5Å; E80-R103 VanDerWaalsContact CD-NH2 3.29Å; E80-R103 IonicContact OE1-NH2 3.95Å; E80-R103 PolarHBondContact OE1-NH2 3.26Å; E80-R103 VanDerWaalsContact OE1-NH2 3.17Å; E80-R103 IonicContact OE2-CZ 3.69Å; E80-R103 IonicContact OE2-NE 3.76Å; E80-R103 IonicContact OE2-NH2 3.17Å; E80-R103 PolarHBondContact OE2-NH2 2.85Å
81E92.3Very high89.3Confident135 Ų13556 Ų5663%0.63131%0.31SS*.Hα-helixtrans-57.7-43177.5-69.5170.5-167.600111.5K77 V84 A85K77-E81 PolarHBondContact O-N 3.06Å; E81-V84 PolarHBondContact O-N 3.15Å; E81-A85 VanDerWaalsContact O-CB 3.31Å; E81-A85 WeakPolarHBondContact O-CB 3.49Å; E81-A85 PolarHBondContact O-N 3.48Å
82K92.5Very high87.6Confident82 Ų8264.6 Ų64.636%0.35735%0.351SS..Hα-helixtrans-63-42.8175.8-75-179.3178.9-176.30112.8G48 T51 T52 M78 S79 E80 A85 F86G48-K82 PolarHBondContact O-NZ 2.8Å; T51-K82 HydrophobicContact CG2-CB 4.26Å; T51-K82 HydrophobicContact CG2-CD 4.07Å; T52-K82 PolarHBondContact OG1-NZ 3.37Å; M78-K82 WeakPolarHBondContact O-CG 3.48Å; M78-K82 PolarHBondContact O-N 2.82Å; M78-K82 VanDerWaalsContact O-N 3.15Å; S79-K82 PolarHBondContact O-N 2.87Å; E80-K82 VanDerWaalsContact C-N 3.29Å; E80-K82 PolarHBondContact O-N 3.33Å; K82-A85 PolarHBondContact O-N 2.97Å; K82-F86 VanDerWaalsContact O-CB 3.26Å; K82-F86 WeakPolarHBondContact O-CB 2.96Å; K82-F86 PolarHBondContact O-N 2.86Å
83I93.8Very high86Confident0 Ų069.6 Ų69.60%039%0.385CS..Hα-helixtrans-65.4-45.3179.2-70159.3000110.3A45 M55 Y70 I72 S79 E80 F86 E87 I101A45-I83 HydrophobicContact CB-CD1 4.1Å; M55-I83 HydrophobicContact CE-CG1 3.8Å; M55-I83 HydrophobicContact SD-CG1 3.95Å; Y70-I83 HydrophobicContact CD1-CD1 4Å; Y70-I83 HydrophobicContact CD1-CG1 4.12Å; Y70-I83 HydrophobicContact CD1-CG2 4.06Å; Y70-I83 HydrophobicContact CD2-CG2 3.48Å; Y70-I83 VanDerWaalsContact CD2-CG2 3.48Å; Y70-I83 HydrophobicContact CE1-CG2 4.27Å; Y70-I83 HydrophobicContact CE2-CG2 3.69Å; Y70-I83 HydrophobicContact CG-CD1 4.05Å; Y70-I83 HydrophobicContact CG-CG1 4.35Å; Y70-I83 HydrophobicContact CG-CG2 3.67Å; I72-I83 HydrophobicContact CG2-CD1 3.69Å; S79-I83 VanDerWaalsContact O-CD1 3.31Å; S79-I83 WeakPolarHBondContact O-CD1 3.38Å; S79-I83 WeakPolarHBondContact O-CG1 3.41Å; S79-I83 PolarHBondContact O-N 3.48Å; E80-I83 PolarHBondContact O-N 2.96Å; E80-I83 VanDerWaalsContact O-N 3.15Å; I83-F86 PolarHBondContact O-N 3.41Å; I83-E87 PolarHBondContact O-N 2.63Å; I83-I101 HydrophobicContact CB-CD1 4.26Å; I83-I101 HydrophobicContact CG2-CD1 3.84Å; I83-I101 HydrophobicContact CG2-CG1 4.18Å
84V92.9Very high84.5Confident61 Ų6171.7 Ų71.737%0.3739%0.394SS..Hα-helixtrans-62.7-45.2178.3172.60000110.5E80 E81 F86 E87 S88 I101E80-V84 WeakPolarHBondContact O-CG2 3.19Å; E80-V84 PolarHBondContact O-N 3.46Å; E81-V84 PolarHBondContact O-N 3.15Å; V84-F86 VanDerWaalsContact C-N 3.34Å; V84-F86 PolarHBondContact O-N 3.27Å; V84-E87 PolarHBondContact O-N 3.44Å; V84-S88 VanDerWaalsContact O-CB 3.25Å; V84-S88 WeakPolarHBondContact O-CB 3.45Å; V84-S88 PolarHBondContact O-N 3.19Å; V84-S88 PolarHBondContact O-OG 2.6Å; V84-I101 HydrophobicContact CG2-CD1 3.84Å
85A92.5Very high83.1Confident63 Ų6371.6 Ų71.652%0.52141%0.405SS..Hα-helixtrans-61.2-42.8175.900000111.9E81 K82 S88 S89E81-A85 VanDerWaalsContact O-CB 3.31Å; E81-A85 WeakPolarHBondContact O-CB 3.49Å; E81-A85 PolarHBondContact O-N 3.48Å; K82-A85 PolarHBondContact O-N 2.97Å; A85-S88 PolarHBondContact O-N 3.39Å; A85-S89 WeakPolarHBondContact O-CB 3.28Å; A85-S89 PolarHBondContact O-N 3.17Å
86F91.5Very high82.2Confident13 Ų1374.8 Ų74.86%0.05742%0.419CS..Hα-helixtrans-60.2-52.6176.9167.4-105.7000111.9M55 M58 E59 K82 I83 V84 S88 S89M55-F86 HydrophobicContact SD-CB 3.7Å; M55-F86 HydrophobicContact SD-CD1 3.73Å; M55-F86 HydrophobicContact SD-CG 3.71Å; M58-F86 HydrophobicContact CB-CE1 3.75Å; M58-F86 HydrophobicContact CB-CZ 3.61Å; E59-F86 HydrophobicContact CB-CE2 4.38Å; E59-F86 HydrophobicContact CG-CD2 4.15Å; E59-F86 HydrophobicContact CG-CE2 3.45Å; E59-F86 VanDerWaalsContact CG-CE2 3.45Å; E59-F86 HydrophobicContact CG-CZ 4.38Å; K82-F86 VanDerWaalsContact O-CB 3.26Å; K82-F86 WeakPolarHBondContact O-CB 2.96Å; K82-F86 PolarHBondContact O-N 2.86Å; I83-F86 PolarHBondContact O-N 3.41Å; V84-F86 VanDerWaalsContact C-N 3.34Å; V84-F86 PolarHBondContact O-N 3.27Å; F86-S88 VanDerWaalsContact C-N 3.33Å; F86-S88 PolarHBondContact O-N 2.59Å; F86-S89 PolarHBondContact O-N 2.77Å; F86-S89 PolarHBondContact O-OG 3.18Å
87E91.7Very high81.6Confident18 Ų1875.4 Ų75.48%0.08442%0.422CS..Hα-helixtrans-67.6-34.4-179.1-67.4-66.1-179.700112R68 Y70 I83 V84 S89 K90 F99R68-E87 WeakPolarHBondContact CD-OE1 3.31Å; R68-E87 IonicContact CZ-OE1 3.77Å; R68-E87 IonicContact NE-OE1 2.8Å; R68-E87 VanDerWaalsContact NH1-CD 3.32Å; R68-E87 IonicContact NH1-OE1 2.79Å; R68-E87 PolarHBondContact NH1-OE1 3.28Å; R68-E87 IonicContact NH1-OE2 3.8Å; R68-E87 PolarHBondContact NH1-OE2 3.19Å; Y70-E87 HydrophobicContact CE2-CG 4.08Å; Y70-E87 VanDerWaalsContact CE2-OE1 3.31Å; Y70-E87 WeakPolarHBondContact CE2-OE1 3.46Å; Y70-E87 VanDerWaalsContact CZ-OE1 3.31Å; Y70-E87 PolarHBondContact OH-OE1 3.49Å; I83-E87 PolarHBondContact O-N 2.63Å; V84-E87 PolarHBondContact O-N 3.44Å; E87-S89 VanDerWaalsContact C-N 3.26Å; E87-S89 PolarHBondContact O-N 2.83Å; E87-K90 PolarHBondContact O-N 2.69Å; E87-F99 HydrophobicContact CB-CD1 3.83Å; E87-F99 HydrophobicContact CB-CE1 3.71Å; E87-F99 HydrophobicContact CB-CG 4.3Å; E87-F99 HydrophobicContact CB-CZ 4.09Å; E87-F99 HydrophobicContact CG-CB 4.32Å; E87-F99 HydrophobicContact CG-CD1 3.87Å; E87-F99 HydrophobicContact CG-CD2 4.16Å; E87-F99 HydrophobicContact CG-CE1 4.19Å; E87-F99 HydrophobicContact CG-CE2 4.46Å; E87-F99 HydrophobicContact CG-CG 3.85Å; E87-F99 HydrophobicContact CG-CZ 4.48Å
88S88.4Confident81.5Confident90 Ų9075.2 Ų75.263%0.62942%0.424SS*.Hα-helixtrans-70-22.4176.5-54.30000113.2V84 A85 F86 K90V84-S88 VanDerWaalsContact O-CB 3.25Å; V84-S88 WeakPolarHBondContact O-CB 3.45Å; V84-S88 PolarHBondContact O-N 3.19Å; V84-S88 PolarHBondContact O-OG 2.6Å; A85-S88 PolarHBondContact O-N 3.39Å; F86-S88 VanDerWaalsContact C-N 3.33Å; F86-S88 PolarHBondContact O-N 2.59Å; S88-K90 VanDerWaalsContact C-N 3.35Å
89S86.7Confident81.8Confident90 Ų9073.1 Ų73.163%0.62941%0.411SS*.THydrogen-bonded Turntrans-80.6-12.9179.374.60000113.9A85 F86 E87A85-S89 WeakPolarHBondContact O-CB 3.28Å; A85-S89 PolarHBondContact O-N 3.17Å; F86-S89 PolarHBondContact O-N 2.77Å; F86-S89 PolarHBondContact O-OG 3.18Å; E87-S89 VanDerWaalsContact C-N 3.26Å; E87-S89 PolarHBondContact O-N 2.83Å
90K80.8Confident82Confident40 Ų4075.7 Ų75.717%0.17443%0.427CS..SBendtrans-73.1141.7-178.2-70.1-124.8-179.8-167.60110.8M58 E87 S88 H94M58-K90 PolarHBondContact O-NZ 3.19Å; E87-K90 PolarHBondContact O-N 2.69Å; S88-K90 VanDerWaalsContact C-N 3.35Å; K90-H94 HydrophobicContact CB-CB 4.12Å
91P74.1Confident82.2Confident83 Ų8375.2 Ų75.254%0.53943%0.426SS..  trans-61.9156.5-178.116.5-22.7000112S93 H94P91-S93 PolarHBondContact O-N 2.95Å; P91-H94 WeakPolarHBondContact O-CA 3.39Å; P91-H94 WeakPolarHBondContact O-CB 3.16Å; P91-H94 PolarHBondContact O-N 3.36Å
92Q61.1Low82.3Confident181 Ų18170 Ų7085%0.84640%0.402SS*.G310 helixtrans-55.8-23-176.1-76.3179.7-15.200114.5H94 A95Q92-H94 PolarHBondContact O-N 3.44Å; Q92-A95 WeakPolarHBondContact O-CB 3.44Å; Q92-A95 PolarHBondContact O-N 3.16Å
93S59.8Low82.5Confident105 Ų10571.7 Ų71.773%0.73441%0.407SS*.G310 helixtrans-61.8-18.9171.256.90000113.8P91P91-S93 PolarHBondContact O-N 2.95Å
94H61.8Low82.5Confident49 Ų4971.8 Ų71.823%0.22741%0.407CS..G310 helixtrans-104.87.1172.7-70.3-92000112.9A63 K90 P91 Q92 D96 V97A63-H94 VanDerWaalsContact CB-CE1 3.46Å; A63-H94 WeakPolarHBondContact CB-CE1 3.09Å; K90-H94 HydrophobicContact CB-CB 4.12Å; P91-H94 WeakPolarHBondContact O-CA 3.39Å; P91-H94 WeakPolarHBondContact O-CB 3.16Å; P91-H94 PolarHBondContact O-N 3.36Å; Q92-H94 PolarHBondContact O-N 3.44Å; H94-D96 PolarHBondContact O-N 3.2Å; H94-V97 HydrophobicContact CB-CG2 4.13Å; H94-V97 VanDerWaalsContact O-CB 3.25Å; H94-V97 WeakPolarHBondContact O-CB 3.31Å; H94-V97 WeakPolarHBondContact O-CG2 3.43Å; H94-V97 PolarHBondContact O-N 3.37Å
95A57.5Low82.4Confident78 Ų7869.5 Ų69.565%0.64539%0.393SS*.THydrogen-bonded Turntrans-63.4-23.1-17900000113.3Q92 V97Q92-A95 WeakPolarHBondContact O-CB 3.44Å; Q92-A95 PolarHBondContact O-N 3.16Å; A95-V97 PolarHBondContact O-N 2.79Å
96D64.6Low82.2Confident156 Ų15669.2 Ų69.283%0.83438%0.379SS*.THydrogen-bonded Turntrans-77.7-4.4172.9-85.5-18.1000113.7H94 Q98H94-D96 PolarHBondContact O-N 3.2Å; D96-Q98 PolarHBondContact O-N 2.77Å
97V72.7Confident81.8Confident17 Ų1768.6 Ų68.610%0.10338%0.376CS..  trans-73.4100175.6179.40000109R68 H94 A95 F99R68-V97 HydrophobicContact CG-CG1 4.22Å; H94-V97 HydrophobicContact CB-CG2 4.13Å; H94-V97 VanDerWaalsContact O-CB 3.25Å; H94-V97 WeakPolarHBondContact O-CB 3.31Å; H94-V97 WeakPolarHBondContact O-CG2 3.43Å; H94-V97 PolarHBondContact O-N 3.37Å; A95-V97 PolarHBondContact O-N 2.79Å; V97-F99 PolarHBondContact O-N 2.73Å
98Q85.3Confident81.3Confident144 Ų14472.9 Ų72.967%0.67339%0.392SS*.  trans-69127.7175.7-64.5-179.510.500110.3P67 R68 D96P67-Q98 WeakPolarHBondContact CA-O 3.35Å; P67-Q98 HydrophobicContact CB-CB 4.36Å; R68-Q98 PolarHBondContact N-O 2.85Å; D96-Q98 PolarHBondContact O-N 2.77Å
99F93.8Very high80.7Confident77 Ų7772.3 Ų72.334%0.33838%0.379SS..EExtended strand (participates in β ladder)trans-123.9153.1170.478.8-84.6000111.9R68 Y70 E87 V97 I101R68-F99 HydrophobicContact CB-CB 4.13Å; R68-F99 CarbonylContact O-C 3.48Å; R68-F99 WeakPolarHBondContact O-CA 3.01Å; Y70-F99 HydrophobicContact CD2-CB 4.34Å; Y70-F99 HydrophobicContact CD2-CD2 4.27Å; Y70-F99 HydrophobicContact CE2-CB 4.02Å; Y70-F99 HydrophobicContact CE2-CD2 4.37Å; E87-F99 HydrophobicContact CB-CD1 3.83Å; E87-F99 HydrophobicContact CB-CE1 3.71Å; E87-F99 HydrophobicContact CB-CG 4.3Å; E87-F99 HydrophobicContact CB-CZ 4.09Å; E87-F99 HydrophobicContact CG-CB 4.32Å; E87-F99 HydrophobicContact CG-CD1 3.87Å; E87-F99 HydrophobicContact CG-CD2 4.16Å; E87-F99 HydrophobicContact CG-CE1 4.19Å; E87-F99 HydrophobicContact CG-CE2 4.46Å; E87-F99 HydrophobicContact CG-CG 3.85Å; E87-F99 HydrophobicContact CG-CZ 4.48Å; V97-F99 PolarHBondContact O-N 2.73Å; F99-I101 HydrophobicContact CD2-CG1 4.23Å; F99-I101 HydrophobicContact CE2-CD1 4.19Å; F99-I101 HydrophobicContact CE2-CG1 4.19Å
100T95.9Very high79.8Confident54 Ų5474.6 Ų74.633%0.33139%0.389SS..EExtended strand (participates in β ladder)trans-136.4145.1174.367.10000109.6R68 H69 Y70 N102R68-T100 PolarHBondContact O-N 3.47Å; H69-T100 PolarHBondContact ND1-OG1 2.9Å; Y70-T100 PolarHBondContact N-O 3.08Å; T100-N102 PolarHBondContact OG1-ND2 3.47Å
101I95.9Very high79.4Confident44 Ų4477.3 Ų77.323%0.22642%0.418CS..EExtended strand (participates in β ladder)trans-110.1126.5173.3-55.4-179.5000108.3I72 E80 I83 V84 F99I72-I101 HydrophobicContact CD1-CG2 3.71Å; I72-I101 HydrophobicContact CG1-CG2 4.09Å; E80-I101 HydrophobicContact CG-CD1 3.91Å; E80-I101 HydrophobicContact CG-CG2 4.5Å; I83-I101 HydrophobicContact CB-CD1 4.26Å; I83-I101 HydrophobicContact CG2-CD1 3.84Å; I83-I101 HydrophobicContact CG2-CG1 4.18Å; V84-I101 HydrophobicContact CG2-CD1 3.84Å; F99-I101 HydrophobicContact CD2-CG1 4.23Å; F99-I101 HydrophobicContact CE2-CD1 4.19Å; F99-I101 HydrophobicContact CE2-CG1 4.19Å
102N96Very high79.6Confident24 Ų2475.8 Ų75.813%0.12840%0.404CS..EExtended strand (participates in β ladder)trans-121.3142.3178.1-56.4-95.8000108.4Y70 V71 I72 T100 L131 R134Y70-N102 PolarHBondContact O-N 2.83Å; V71-N102 VanDerWaalsContact CA-O 3.3Å; V71-N102 WeakPolarHBondContact CA-O 3.34Å; V71-N102 HydrophobicContact CG2-CB 4.46Å; I72-N102 PolarHBondContact N-O 2.82Å; T100-N102 PolarHBondContact OG1-ND2 3.47Å; N102-L131 HydrophobicContact CB-CD1 3.97Å; N102-L131 HydrophobicContact CB-CD2 3.91Å; N102-L131 WeakPolarHBondContact OD1-CD1 3.35Å; N102-R134 PolarHBondContact OD1-NH2 3.1Å
103R95.2Very high80.5Confident119 Ų11970.2 Ų70.245%0.44939%0.385SS..EExtended strand (participates in β ladder)trans-112.5140.9179.9-53.3-170.9179.8156.33.1110.9I72 D74 E80I72-R103 HydrophobicContact CD1-CG 4.18Å; I72-R103 HydrophobicContact CG1-CG 3.86Å; I72-R103 WeakPolarHBondContact O-CA 3.45Å; D74-R103 WeakPolarHBondContact OD1-CB 3.38Å; E80-R103 VanDerWaalsContact CD-NH2 3.29Å; E80-R103 IonicContact OE1-NH2 3.95Å; E80-R103 PolarHBondContact OE1-NH2 3.26Å; E80-R103 VanDerWaalsContact OE1-NH2 3.17Å; E80-R103 IonicContact OE2-CZ 3.69Å; E80-R103 IonicContact OE2-NE 3.76Å; E80-R103 IonicContact OE2-NH2 3.17Å; E80-R103 PolarHBondContact OE2-NH2 2.85Å
104I94.2Very high81.4Confident2 Ų274.8 Ų74.81%0.0139%0.386CS..EExtended strand (participates in β ladder)trans-134.5157.9172.864171.5000111.1V71 I72 A73 D74 R106 S128 L131 T147 L151V71-I104 HydrophobicContact CG1-CD1 3.89Å; V71-I104 HydrophobicContact CG1-CG1 3.78Å; V71-I104 HydrophobicContact CG1-CG2 4.16Å; I72-I104 PolarHBondContact O-N 2.82Å; A73-I104 CarbonylContact C-O 3.52Å; A73-I104 WeakPolarHBondContact CA-O 3.45Å; D74-I104 PolarHBondContact N-O 3.02Å; D74-I104 PolarHBondContact OD1-N 2.91Å; I104-R106 PolarHBondContact O-N 3.2Å; I104-S128 WeakPolarHBondContact CD1-OG 3.27Å; I104-L131 HydrophobicContact CG2-CD2 3.89Å; I104-T147 HydrophobicContact CD1-CG2 3.43Å; I104-T147 VanDerWaalsContact CD1-CG2 3.43Å; I104-T147 HydrophobicContact CG1-CG2 3.67Å; I104-L151 HydrophobicContact CD1-CD1 3.86Å; I104-L151 HydrophobicContact CD1-CD2 4.18Å; I104-L151 HydrophobicContact CD1-CG 3.96Å
105P91.9Very high82.2Confident13 Ų1376.4 Ų76.48%0.08440%0.403CS..  trans-57.9137174.7-25.534.9000111.1D74 S107 K123 A124 Y127D74-P105 WeakPolarHBondContact OD2-CA 3.3Å; P105-S107 PolarHBondContact O-N 3.42Å; P105-K123 HydrophobicContact CB-CD 4.37Å; P105-K123 HydrophobicContact CB-CG 4.38Å; P105-K123 HydrophobicContact CG-CG 4.32Å; P105-A124 VanDerWaalsContact O-CB 3.3Å; P105-A124 WeakPolarHBondContact O-CB 3.25Å; P105-Y127 HydrophobicContact CG-CD2 3.69Å; P105-Y127 HydrophobicContact CG-CE2 3.84Å; P105-Y127 HydrophobicContact CG-CG 4.13Å
106R86.9Confident83.2Confident56 Ų5674.5 Ų74.521%0.21139%0.385CS..  trans-64131.1176.9-167.4176-89.1168.9-5.6110S47 A73 I104 R108 E109S47-R106 PolarHBondContact OG-NH2 2.78Å; A73-R106 HydrophobicContact CB-CB 3.96Å; A73-R106 HydrophobicContact CB-CG 4.17Å; I104-R106 PolarHBondContact O-N 3.2Å; R106-R108 VanDerWaalsContact C-N 3.31Å; R106-R108 WeakPolarHBondContact CD-O 3.49Å; R106-R108 WeakPolarHBondContact CG-O 3.07Å; R106-R108 PolarHBondContact O-N 3.15Å; R106-E109 WeakPolarHBondContact CD-OE1 3.29Å; R106-E109 VanDerWaalsContact CD-OE2 3.29Å; R106-E109 WeakPolarHBondContact CD-OE2 3.49Å; R106-E109 IonicContact CZ-OE2 2.97Å; R106-E109 IonicContact NE-OE2 3.97Å; R106-E109 IonicContact NH1-OE1 3.73Å; R106-E109 IonicContact NH1-OE2 2.78Å; R106-E109 PolarHBondContact NH1-OE2 3.16Å
107S83.4Confident84.2Confident0 Ų067.6 Ų67.60%035%0.349CS..SBendtrans-75.6-18.3-177.8-56.30000114.3P105 S120 T121 A124 T147P105-S107 PolarHBondContact O-N 3.42Å; S107-S120 PolarHBondContact O-OG 3.09Å; S107-T121 PolarHBondContact O-N 3.15Å; S107-T121 PolarHBondContact O-OG1 3.48Å; S107-T121 VanDerWaalsContact O-OG1 3.13Å; S107-A124 WeakPolarHBondContact OG-CB 3.45Å; S107-T147 WeakPolarHBondContact OG-CA 3.34Å
108R80.4Confident84.8Confident109 Ų10969.9 Ų69.941%0.41136%0.363SS..  trans-160.5130.4176.8173.2178.1155.776.95.3110.5R106 Q112 S117R106-R108 VanDerWaalsContact C-N 3.31Å; R106-R108 WeakPolarHBondContact CD-O 3.49Å; R106-R108 WeakPolarHBondContact CG-O 3.07Å; R106-R108 PolarHBondContact O-N 3.15Å; R108-Q112 HydrophobicContact CG-CB 4.47Å; R108-Q112 PolarHBondContact NH1-O 3.34Å; R108-S117 PolarHBondContact NH1-OG 3.43Å
109E76.6Confident84.9Confident78 Ų7867.8 Ų67.836%0.36436%0.36SS..  trans-87.5157.7168.2-65.1-63.9170.900111.8R106 A111 Q112R106-E109 WeakPolarHBondContact CD-OE1 3.29Å; R106-E109 VanDerWaalsContact CD-OE2 3.29Å; R106-E109 WeakPolarHBondContact CD-OE2 3.49Å; R106-E109 IonicContact CZ-OE2 2.97Å; R106-E109 IonicContact NE-OE2 3.97Å; R106-E109 IonicContact NH1-OE1 3.73Å; R106-E109 IonicContact NH1-OE2 2.78Å; R106-E109 PolarHBondContact NH1-OE2 3.16Å; E109-A111 PolarHBondContact O-N 3.22Å; E109-Q112 HydrophobicContact CB-CB 4.34Å; E109-Q112 VanDerWaalsContact O-CB 3.23Å; E109-Q112 WeakPolarHBondContact O-CB 3.07Å; E109-Q112 PolarHBondContact O-N 3.48Å
110V68.6Low84.7Confident138 Ų13865.1 Ų65.184%0.83635%0.351SS*.THydrogen-bonded Turntrans-61135.9176-175.20000109Q112V110-Q112 PolarHBondContact O-N 2.93Å
111A71.4Confident84.4Confident96 Ų9664.6 Ų64.679%0.79335%0.348SS*.THydrogen-bonded Turntrans63.19.8-176.400000116.6E109E109-A111 PolarHBondContact O-N 3.22Å
112Q77.8Confident84.2Confident51 Ų5167.6 Ų67.624%0.23836%0.364CS..  trans-65146.2175.4-172.417417.300112.2R108 E109 V110 S116 S120R108-Q112 HydrophobicContact CG-CB 4.47Å; R108-Q112 PolarHBondContact NH1-O 3.34Å; E109-Q112 HydrophobicContact CB-CB 4.34Å; E109-Q112 VanDerWaalsContact O-CB 3.23Å; E109-Q112 WeakPolarHBondContact O-CB 3.07Å; E109-Q112 PolarHBondContact O-N 3.48Å; V110-Q112 PolarHBondContact O-N 2.93Å; Q112-S116 WeakPolarHBondContact CG-OG 3.39Å; Q112-S116 PolarHBondContact NE2-O 3.31Å; Q112-S116 PolarHBondContact NE2-OG 3.13Å; Q112-S120 PolarHBondContact NE2-OG 2.95Å
113S80.6Confident84.1Confident64 Ų6472.1 Ų72.145%0.44838%0.382SS..  trans-66.4155.4174.769.40000112.1S115 S116 S117S113-S115 PolarHBondContact O-N 2.93Å; S113-S116 PolarHBondContact O-N 3.03Å; S113-S116 PolarHBondContact O-OG 3.16Å; S113-S116 PolarHBondContact OG-OG 2.81Å; S113-S117 WeakPolarHBondContact O-CB 3.38Å; S113-S117 PolarHBondContact O-N 3.16Å; S113-S117 PolarHBondContact O-OG 2.86Å
114W78.6Confident84Confident201 Ų20166.5 Ų66.576%0.76136%0.361SS*.Hα-helixtrans-64.7-42.2-175.6-163.778.8000112.6S117 V118W114-S117 WeakPolarHBondContact O-CB 3.42Å; W114-S117 PolarHBondContact O-N 3.15Å; W114-V118 PolarHBondContact O-N 2.97Å
115S77.9Confident84Confident83 Ų8368.4 Ų68.458%0.5837%0.371SS*.Hα-helixtrans-63.8-44.3178.952.80000112.8S113 S117 V118 V119S113-S115 PolarHBondContact O-N 2.93Å; S115-S117 VanDerWaalsContact C-N 3.29Å; S115-S117 PolarHBondContact O-N 3.19Å; S115-V118 WeakPolarHBondContact O-CB 3.32Å; S115-V118 PolarHBondContact O-N 2.81Å; S115-V119 PolarHBondContact O-N 3.33Å
116S80.4Confident84.2Confident39 Ų3976 Ų7627%0.27340%0.398SS..Hα-helixtrans-71.5-25.8177.365.50000112.7Q112 S113 V118 V119 S120Q112-S116 WeakPolarHBondContact CG-OG 3.39Å; Q112-S116 PolarHBondContact NE2-O 3.31Å; Q112-S116 PolarHBondContact NE2-OG 3.13Å; S113-S116 PolarHBondContact O-N 3.03Å; S113-S116 PolarHBondContact O-OG 3.16Å; S113-S116 PolarHBondContact OG-OG 2.81Å; S116-V118 VanDerWaalsContact C-N 3.31Å; S116-V118 PolarHBondContact O-N 2.85Å; S116-V119 PolarHBondContact O-N 3.1Å; S116-S120 PolarHBondContact O-N 2.91Å; S116-S120 PolarHBondContact O-OG 3.04Å
117S83.9Confident84.6Confident10 Ų1078 Ų787%0.0741%0.406CS..Hα-helixtrans-64-35.6171.3-57.40000111.6R108 S113 W114 S115 S120 T121R108-S117 PolarHBondContact NH1-OG 3.43Å; S113-S117 WeakPolarHBondContact O-CB 3.38Å; S113-S117 PolarHBondContact O-N 3.16Å; S113-S117 PolarHBondContact O-OG 2.86Å; W114-S117 WeakPolarHBondContact O-CB 3.42Å; W114-S117 PolarHBondContact O-N 3.15Å; S115-S117 VanDerWaalsContact C-N 3.29Å; S115-S117 PolarHBondContact O-N 3.19Å; S117-S120 VanDerWaalsContact CA-OG 3.29Å; S117-S120 WeakPolarHBondContact CA-OG 3.47Å; S117-S120 PolarHBondContact O-OG 3.17Å; S117-S120 VanDerWaalsContact O-OG 3.08Å; S117-T121 VanDerWaalsContact O-CB 3.29Å; S117-T121 WeakPolarHBondContact O-CB 3.5Å; S117-T121 PolarHBondContact O-N 2.95Å; S117-T121 PolarHBondContact O-OG1 2.91Å
118V86Confident85.2Confident66 Ų6678 Ų7840%0.441%0.406SS..Hα-helixtrans-64-46175.2177.90000110.8W114 S115 S116 S120 T121 L122W114-V118 PolarHBondContact O-N 2.97Å; S115-V118 WeakPolarHBondContact O-CB 3.32Å; S115-V118 PolarHBondContact O-N 2.81Å; S116-V118 VanDerWaalsContact C-N 3.31Å; S116-V118 PolarHBondContact O-N 2.85Å; V118-S120 PolarHBondContact O-N 3.06Å; V118-T121 PolarHBondContact O-N 2.98Å; V118-L122 HydrophobicContact CG1-CD1 4.18Å; V118-L122 HydrophobicContact CG1-CG 4.47Å; V118-L122 WeakPolarHBondContact O-CG 3.41Å; V118-L122 PolarHBondContact O-N 3.01Å
119V87.6Confident86Confident100 Ų10075.6 Ų75.661%0.60640%0.401SS*.Hα-helixtrans-62.5-44.6179.8178.70000111.5S115 S116 T121 L122 K123S115-V119 PolarHBondContact O-N 3.33Å; S116-V119 PolarHBondContact O-N 3.1Å; V119-T121 VanDerWaalsContact C-N 3.35Å; V119-L122 PolarHBondContact O-N 3.26Å; V119-K123 PolarHBondContact O-N 3.4Å
120S88.8Confident86.9Confident21 Ų2175.8 Ų75.815%0.14741%0.409CS..Hα-helixtrans-67.6-34.7177.143.20000112.4S107 Q112 S116 S117 V118 K123 A124S107-S120 PolarHBondContact O-OG 3.09Å; Q112-S120 PolarHBondContact NE2-OG 2.95Å; S116-S120 PolarHBondContact O-N 2.91Å; S116-S120 PolarHBondContact O-OG 3.04Å; S117-S120 VanDerWaalsContact CA-OG 3.29Å; S117-S120 WeakPolarHBondContact CA-OG 3.47Å; S117-S120 PolarHBondContact O-OG 3.17Å; S117-S120 VanDerWaalsContact O-OG 3.08Å; V118-S120 PolarHBondContact O-N 3.06Å; S120-K123 PolarHBondContact O-N 2.88Å; S120-A124 WeakPolarHBondContact O-CB 3.42Å; S120-A124 PolarHBondContact O-N 3.42Å
121T90.9Very high88.3Confident43 Ų4370.1 Ų70.126%0.26437%0.374SS..Hα-helixtrans-64.9-43.5171.5-58.80000112S107 S117 V118 V119 K123 A124 L125S107-T121 PolarHBondContact O-N 3.15Å; S107-T121 PolarHBondContact O-OG1 3.48Å; S107-T121 VanDerWaalsContact O-OG1 3.13Å; S117-T121 VanDerWaalsContact O-CB 3.29Å; S117-T121 WeakPolarHBondContact O-CB 3.5Å; S117-T121 PolarHBondContact O-N 2.95Å; S117-T121 PolarHBondContact O-OG1 2.91Å; V118-T121 PolarHBondContact O-N 2.98Å; V119-T121 VanDerWaalsContact C-N 3.35Å; T121-K123 VanDerWaalsContact C-N 3.34Å; T121-K123 PolarHBondContact O-N 3.38Å; T121-A124 WeakPolarHBondContact O-CB 3.3Å; T121-A124 PolarHBondContact O-N 3.46Å; T121-L125 PolarHBondContact O-N 3.49Å
122L91.3Very high89.5Confident107 Ų10765.6 Ų65.656%0.5634%0.336SS*.Hα-helixtrans-64-39.8175.3-73.1173.3000111.8V118 V119 L125 R126V118-L122 HydrophobicContact CG1-CD1 4.18Å; V118-L122 HydrophobicContact CG1-CG 4.47Å; V118-L122 WeakPolarHBondContact O-CG 3.41Å; V118-L122 PolarHBondContact O-N 3.01Å; V119-L122 PolarHBondContact O-N 3.26Å; L122-L125 HydrophobicContact CD2-CD2 4.5Å; L122-L125 WeakPolarHBondContact O-CB 3.46Å; L122-L125 PolarHBondContact O-N 3.17Å; L122-R126 PolarHBondContact O-N 3.21Å
123K92.5Very high90.4Very high119 Ų11966.3 Ų66.352%0.51734%0.339SS..Hα-helixtrans-58.6-50.4171.9-174.1178.9178.7-1790110P105 V119 S120 T121 L125 R126 Y127P105-K123 HydrophobicContact CB-CD 4.37Å; P105-K123 HydrophobicContact CB-CG 4.38Å; P105-K123 HydrophobicContact CG-CG 4.32Å; V119-K123 PolarHBondContact O-N 3.4Å; S120-K123 PolarHBondContact O-N 2.88Å; T121-K123 VanDerWaalsContact C-N 3.34Å; T121-K123 PolarHBondContact O-N 3.38Å; K123-L125 VanDerWaalsContact C-N 3.28Å; K123-L125 PolarHBondContact O-N 3.16Å; K123-R126 WeakPolarHBondContact O-CB 3.17Å; K123-R126 PolarHBondContact O-N 2.91Å; K123-R126 VanDerWaalsContact O-N 3.12Å; K123-Y127 HydrophobicContact CG-CE2 4.22Å; K123-Y127 VanDerWaalsContact O-CD2 3.3Å; K123-Y127 WeakPolarHBondContact O-CD2 3.48Å; K123-Y127 PolarHBondContact O-N 2.88Å
124A93.8Very high91.2Very high0 Ų071.3 Ų71.30%035%0.348CS..Hα-helixtrans-59.8-36.8177.500000112.7P105 S107 S120 T121 R126 Y127 S128 P150P105-A124 VanDerWaalsContact O-CB 3.3Å; P105-A124 WeakPolarHBondContact O-CB 3.25Å; S107-A124 WeakPolarHBondContact OG-CB 3.45Å; S120-A124 WeakPolarHBondContact O-CB 3.42Å; S120-A124 PolarHBondContact O-N 3.42Å; T121-A124 WeakPolarHBondContact O-CB 3.3Å; T121-A124 PolarHBondContact O-N 3.46Å; A124-R126 PolarHBondContact O-N 2.98Å; A124-Y127 PolarHBondContact O-N 3.28Å; A124-S128 WeakPolarHBondContact O-CB 3.44Å; A124-S128 PolarHBondContact O-N 3.45Å; A124-S128 PolarHBondContact O-OG 3.21Å; A124-P150 HydrophobicContact CB-CB 4.43Å; A124-P150 HydrophobicContact CB-CG 3.89Å
125L94.8Very high92Very high43 Ų4362.9 Ų62.923%0.22532%0.318CS..Hα-helixtrans-61.1-42.2174.4-176.463.6000112T121 L122 K123 Y127 S128 L129 P150 I153T121-L125 PolarHBondContact O-N 3.49Å; L122-L125 HydrophobicContact CD2-CD2 4.5Å; L122-L125 WeakPolarHBondContact O-CB 3.46Å; L122-L125 PolarHBondContact O-N 3.17Å; K123-L125 VanDerWaalsContact C-N 3.28Å; K123-L125 PolarHBondContact O-N 3.16Å; L125-Y127 PolarHBondContact O-N 3.3Å; L125-S128 PolarHBondContact O-N 3.05Å; L125-S128 VanDerWaalsContact O-N 3.15Å; L125-L129 HydrophobicContact CD1-CG 4.39Å; L125-L129 HydrophobicContact CG-CD1 4.22Å; L125-L129 HydrophobicContact CG-CG 4.49Å; L125-L129 WeakPolarHBondContact O-CG 3.29Å; L125-L129 PolarHBondContact O-N 3.03Å; L125-P150 HydrophobicContact CB-CB 3.93Å; L125-P150 HydrophobicContact CD1-CB 3.99Å; L125-I153 HydrophobicContact CD1-CG2 4.33Å
126R95.8Very high92.8Very high172 Ų17262.7 Ų62.765%0.64931%0.307SS*.Hα-helixtrans-58.2-34176.8-161.2-170.290.597-2.4113L122 K123 A124 P130L122-R126 PolarHBondContact O-N 3.21Å; K123-R126 WeakPolarHBondContact O-CB 3.17Å; K123-R126 PolarHBondContact O-N 2.91Å; K123-R126 VanDerWaalsContact O-N 3.12Å; A124-R126 PolarHBondContact O-N 2.98Å; R126-P130 WeakPolarHBondContact O-CD 3.48Å
127Y95.8Very high93.5Very high99 Ų9960.8 Ų60.839%0.38829%0.294SS..Hα-helixtrans-84.7-34.5176.1-73.5-98.5000112.2P105 K123 A124 L125 L129 P130 L131P105-Y127 HydrophobicContact CG-CD2 3.69Å; P105-Y127 HydrophobicContact CG-CE2 3.84Å; P105-Y127 HydrophobicContact CG-CG 4.13Å; K123-Y127 HydrophobicContact CG-CE2 4.22Å; K123-Y127 VanDerWaalsContact O-CD2 3.3Å; K123-Y127 WeakPolarHBondContact O-CD2 3.48Å; K123-Y127 PolarHBondContact O-N 2.88Å; A124-Y127 PolarHBondContact O-N 3.28Å; L125-Y127 PolarHBondContact O-N 3.3Å; Y127-L129 VanDerWaalsContact C-N 3.34Å; Y127-L129 PolarHBondContact O-N 3.32Å; Y127-P130 WeakPolarHBondContact O-CD 3.3Å; Y127-L131 WeakPolarHBondContact O-CB 3.28Å; Y127-L131 PolarHBondContact O-N 3.06Å
128S95.8Very high94Very high0 Ų061.6 Ų61.60%030%0.298CS..Hα-helixtrans-64.9-38.1178.5-59.70000112I104 A124 L125 L131 V132I104-S128 WeakPolarHBondContact CD1-OG 3.27Å; A124-S128 WeakPolarHBondContact O-CB 3.44Å; A124-S128 PolarHBondContact O-N 3.45Å; A124-S128 PolarHBondContact O-OG 3.21Å; L125-S128 PolarHBondContact O-N 3.05Å; L125-S128 VanDerWaalsContact O-N 3.15Å; S128-L131 PolarHBondContact O-N 3.3Å; S128-V132 WeakPolarHBondContact O-CB 3.36Å; S128-V132 VanDerWaalsContact O-CG2 3.3Å; S128-V132 WeakPolarHBondContact O-CG2 3.33Å; S128-V132 PolarHBondContact O-N 2.88Å
129L96.2Very high94.5Very high57 Ų5760 Ų6030%0.29829%0.288SS..Hα-helixtrans-51.9-67.9178.6-82.9163.2000113.2L125 Y127 L131 V132 F133 T154 L157L125-L129 HydrophobicContact CD1-CG 4.39Å; L125-L129 HydrophobicContact CG-CD1 4.22Å; L125-L129 HydrophobicContact CG-CG 4.49Å; L125-L129 WeakPolarHBondContact O-CG 3.29Å; L125-L129 PolarHBondContact O-N 3.03Å; Y127-L129 VanDerWaalsContact C-N 3.34Å; Y127-L129 PolarHBondContact O-N 3.32Å; L129-L131 PolarHBondContact O-N 3.02Å; L129-V132 PolarHBondContact O-N 3.4Å; L129-F133 HydrophobicContact CD2-CE2 4.11Å; L129-F133 WeakPolarHBondContact O-CB 3.3Å; L129-F133 WeakPolarHBondContact O-CD2 3.4Å; L129-F133 PolarHBondContact O-N 3.34Å; L129-F133 VanDerWaalsContact O-N 3.1Å; L129-T154 HydrophobicContact CD2-CG2 3.98Å; L129-T154 HydrophobicContact CG-CG2 4.45Å; L129-L157 HydrophobicContact CD2-CD2 3.63Å
130P97.1Very high94.9Very high82 Ų8255.2 Ų55.253%0.53226%0.259SS..Hα-helixtrans-63.1-31.9-178.826.3-34.9000112.3R126 Y127 R134R126-P130 WeakPolarHBondContact O-CD 3.48Å; Y127-P130 WeakPolarHBondContact O-CD 3.3Å; P130-R134 VanDerWaalsContact O-CB 3.32Å; P130-R134 WeakPolarHBondContact O-CB 3.31Å; P130-R134 PolarHBondContact O-N 3.24Å
131L96.9Very high95.3Very high20 Ų2054.9 Ų54.911%0.10526%0.256CS..Hα-helixtrans-64.2-54.5180179.662.1000111.9V71 N102 I104 Y127 S128 L129 F133 R134 L135V71-L131 HydrophobicContact CG1-CD2 4.37Å; V71-L131 HydrophobicContact CG2-CD2 4.11Å; N102-L131 HydrophobicContact CB-CD1 3.97Å; N102-L131 HydrophobicContact CB-CD2 3.91Å; N102-L131 WeakPolarHBondContact OD1-CD1 3.35Å; I104-L131 HydrophobicContact CG2-CD2 3.89Å; Y127-L131 WeakPolarHBondContact O-CB 3.28Å; Y127-L131 PolarHBondContact O-N 3.06Å; S128-L131 PolarHBondContact O-N 3.3Å; L129-L131 PolarHBondContact O-N 3.02Å; L131-F133 VanDerWaalsContact C-N 3.33Å; L131-F133 PolarHBondContact O-N 3.16Å; L131-R134 PolarHBondContact O-N 2.98Å; L131-L135 HydrophobicContact CD1-CD1 3.69Å; L131-L135 HydrophobicContact CD1-CG 4.05Å; L131-L135 HydrophobicContact CG-CD1 3.92Å; L131-L135 WeakPolarHBondContact O-CB 3.32Å; L131-L135 VanDerWaalsContact O-CG 3.3Å; L131-L135 WeakPolarHBondContact O-CG 3.33Å; L131-L135 PolarHBondContact O-N 3.49Å
132V97.1Very high95.5Very high0 Ų052.9 Ų52.90%024%0.243CC..Hα-helixtrans-70.3-32.6-177.5176.40000110.9L42 S128 L129 R134 Q136 P137 L151 T154 L158L42-V132 HydrophobicContact CD1-CG2 4.02Å; S128-V132 WeakPolarHBondContact O-CB 3.36Å; S128-V132 VanDerWaalsContact O-CG2 3.3Å; S128-V132 WeakPolarHBondContact O-CG2 3.33Å; S128-V132 PolarHBondContact O-N 2.88Å; L129-V132 PolarHBondContact O-N 3.4Å; V132-R134 VanDerWaalsContact C-N 3.31Å; V132-R134 PolarHBondContact O-N 2.88Å; V132-Q136 WeakPolarHBondContact O-CA 3.37Å; V132-Q136 PolarHBondContact O-N 3.47Å; V132-P137 HydrophobicContact CG1-CG 4.26Å; V132-L151 HydrophobicContact CG2-CD2 3.72Å; V132-T154 HydrophobicContact CB-CG2 3.53Å; V132-T154 HydrophobicContact CG1-CG2 3.85Å; V132-T154 HydrophobicContact CG2-CG2 4.04Å; V132-L158 HydrophobicContact CG1-CD1 3.76Å
133F96.4Very high95.5Very high66 Ų6647.8 Ų47.829%0.28922%0.217SC..Hα-helixtrans-65-33172.3-89-110.7000113L129 L131 Q136 T154 L157 L158 L161 I163L129-F133 HydrophobicContact CD2-CE2 4.11Å; L129-F133 WeakPolarHBondContact O-CB 3.3Å; L129-F133 WeakPolarHBondContact O-CD2 3.4Å; L129-F133 PolarHBondContact O-N 3.34Å; L129-F133 VanDerWaalsContact O-N 3.1Å; L131-F133 VanDerWaalsContact C-N 3.33Å; L131-F133 PolarHBondContact O-N 3.16Å; F133-Q136 WeakPolarHBondContact O-CG 3.11Å; F133-T154 HydrophobicContact CD2-CG2 4.03Å; F133-T154 HydrophobicContact CE2-CG2 4.11Å; F133-L157 HydrophobicContact CE2-CD2 4.25Å; F133-L157 HydrophobicContact CZ-CD2 4.39Å; F133-L158 HydrophobicContact CD1-CD2 3.64Å; F133-L158 HydrophobicContact CD2-CD2 3.69Å; F133-L158 HydrophobicContact CD2-CG 4.17Å; F133-L158 HydrophobicContact CE1-CD2 3.57Å; F133-L158 HydrophobicContact CE2-CD2 3.62Å; F133-L158 HydrophobicContact CE2-CG 4.07Å; F133-L158 HydrophobicContact CG-CD2 3.73Å; F133-L158 HydrophobicContact CZ-CD2 3.57Å; F133-L158 HydrophobicContact CZ-CG 4.4Å; F133-L161 HydrophobicContact CE1-CD1 4.38Å; F133-L161 HydrophobicContact CZ-CD1 3.88Å; F133-I163 HydrophobicContact CD1-CD1 4.27Å; F133-I163 HydrophobicContact CE1-CD1 3.49Å; F133-I163 VanDerWaalsContact CE1-CD1 3.49Å; F133-I163 HydrophobicContact CZ-CD1 4.18Å
134R96.6Very high94.8Very high169 Ų16942.5 Ų42.564%0.63820%0.196SC*.Hα-helixtrans-75.6-46.9174.8-175.4-172.374.5125-3111.8N102 P130 L131 V132N102-R134 PolarHBondContact OD1-NH2 3.1Å; P130-R134 VanDerWaalsContact O-CB 3.32Å; P130-R134 WeakPolarHBondContact O-CB 3.31Å; P130-R134 PolarHBondContact O-N 3.24Å; L131-R134 PolarHBondContact O-N 2.98Å; V132-R134 VanDerWaalsContact C-N 3.31Å; V132-R134 PolarHBondContact O-N 2.88Å
135L95.8Very high94.3Very high24 Ų2443.4 Ų43.413%0.12620%0.202CC..Hα-helixtrans-74.3-31.6-175.6-65.9179.7000112.5L42 H69 L131L42-L135 HydrophobicContact CD1-CD1 3.99Å; H69-L135 HydrophobicContact CB-CD1 3.87Å; L131-L135 HydrophobicContact CD1-CD1 3.69Å; L131-L135 HydrophobicContact CD1-CG 4.05Å; L131-L135 HydrophobicContact CG-CD1 3.92Å; L131-L135 WeakPolarHBondContact O-CB 3.32Å; L131-L135 VanDerWaalsContact O-CG 3.3Å; L131-L135 WeakPolarHBondContact O-CG 3.33Å; L131-L135 PolarHBondContact O-N 3.49Å
136Q94.9Very high93.9Very high79 Ų7942.6 Ų42.637%0.36920%0.204SC..  trans43.162-178.4-61.8-164.4-26.300112V132 F133 K164V132-Q136 WeakPolarHBondContact O-CA 3.37Å; V132-Q136 PolarHBondContact O-N 3.47Å; F133-Q136 WeakPolarHBondContact O-CG 3.11Å; Q136-K164 HydrophobicContact CB-CD 3.68Å; Q136-K164 VanDerWaalsContact O-CD 3.25Å; Q136-K164 WeakPolarHBondContact O-CD 3.39Å; Q136-K164 WeakPolarHBondContact O-CE 3.33Å; Q136-K164 PolarHBondContact O-NZ 2.91Å
137P95.6Very high93.7Very high0 Ų034.8 Ų34.80%018%0.176CC..  trans-66.2153.7-179.129.8-35.7000111.5L42 V132 V140 K164 V166L42-P137 HydrophobicContact CB-CB 3.66Å; L42-P137 HydrophobicContact CB-CG 3.8Å; L42-P137 HydrophobicContact CD1-CG 4.12Å; V132-P137 HydrophobicContact CG1-CG 4.26Å; P137-V140 HydrophobicContact CG-CG2 4.16Å; P137-K164 VanDerWaalsContact O-CE 3.29Å; P137-K164 WeakPolarHBondContact O-CE 3.37Å; P137-V166 HydrophobicContact CG-CG1 4.21Å
138D94.6Very high93.6Very high27 Ų2730.1 Ų30.114%0.14416%0.157CC..SBendtrans-81.3-34.2169-63.3-56.8000110.8R36 V39 A40 K164 G167R36-D138 IonicContact NH1-OD1 2.83Å; R36-D138 PolarHBondContact NH1-OD1 3.06Å; R36-D138 IonicContact NH1-OD2 3.79Å; V39-D138 HydrophobicContact CG1-CB 3.8Å; A40-D138 PolarHBondContact N-OD2 3.26Å; A40-D138 PolarHBondContact O-N 2.78Å; D138-K164 WeakPolarHBondContact OD1-CE 3.47Å; D138-K164 IonicContact OD1-NZ 3.89Å; D138-K164 PolarHBondContact OD1-NZ 3.5Å; D138-K164 IonicContact OD2-NZ 3.49Å; D138-G167 PolarHBondContact O-N 3.44Å
139V95.6Very high93.5Very high32 Ų3230.8 Ų30.819%0.19416%0.161CC..EExtended strand (participates in β ladder)trans-135.3138.4178.9177.60000111V39 A40 V41 L42 G167 V169V39-V139 HydrophobicContact CG1-CG2 3.95Å; A40-V139 PolarHBondContact O-N 2.92Å; A40-V139 VanDerWaalsContact O-N 3.13Å; V41-V139 CarbonylContact C-O 3.47Å; V41-V139 WeakPolarHBondContact CA-O 3.43Å; L42-V139 PolarHBondContact N-O 3.36Å; V139-G167 CarbonylContact C-O 3.44Å; V139-G167 VanDerWaalsContact CA-O 3.23Å; V139-G167 WeakPolarHBondContact CA-O 3.39Å; V139-V169 HydrophobicContact CG1-CB 4.32Å; V139-V169 HydrophobicContact CG1-CG2 3.72Å
140V97.1Very high93.5Very high0 Ų028.1 Ų28.10%015%0.147CC..EExtended strand (participates in β ladder)trans-103.6116.7165.9178.50000108.3L42 V44 P137 V166 G167 V169L42-V140 HydrophobicContact CB-CG2 4.31Å; L42-V140 HydrophobicContact CD2-CG1 4.01Å; L42-V140 HydrophobicContact CD2-CG2 4.36Å; L42-V140 CarbonylContact O-C 3.19Å; L42-V140 VanDerWaalsContact O-CA 3.3Å; L42-V140 WeakPolarHBondContact O-CA 3.2Å; V44-V140 HydrophobicContact CG2-CG1 4.27Å; P137-V140 HydrophobicContact CG-CG2 4.16Å; V140-V166 HydrophobicContact CG2-CG1 3.67Å; V140-G167 PolarHBondContact N-O 3.49Å; V140-V169 PolarHBondContact O-N 3.12Å
141L96.9Very high93.5Very high14 Ų1424.2 Ų24.27%0.07312%0.122CC..EExtended strand (participates in β ladder)trans-106.6127176.3177.363.1000109.9V41 L42 V43 V44 I54 M58 L61 V169 V171V41-L141 HydrophobicContact CG1-CB 4.12Å; L42-L141 PolarHBondContact O-N 2.85Å; V43-L141 WeakPolarHBondContact CA-O 3.01Å; V44-L141 PolarHBondContact N-O 3.38Å; I54-L141 HydrophobicContact CD1-CD2 4.34Å; I54-L141 HydrophobicContact CD1-CG 3.99Å; M58-L141 HydrophobicContact SD-CD2 3.89Å; L61-L141 HydrophobicContact CD1-CD2 4.26Å; L141-V169 WeakPolarHBondContact CA-O 3.33Å; L141-V169 HydrophobicContact CD1-CB 4.08Å; L141-V169 HydrophobicContact CD1-CG1 3.71Å; L141-V171 HydrophobicContact CD1-CG2 4.18Å
142C95.6Very high93.4Very high0 Ų023.2 Ų23.20%012%0.117CC..EExtended strand (participates in β ladder)trans-155.9154.7-176.763.80000114.5V44 C148 V169 Y170 V171V44-C142 HydrophobicContact CB-CB 3.79Å; V44-C142 HydrophobicContact CG2-CB 3.87Å; C142-C148 HydrophobicContact CB-CB 3.95Å; C142-C148 WeakPolarHBondContact CB-SG 3.43Å; C142-V169 PolarHBondContact N-O 3.05Å; C142-V169 VanDerWaalsContact N-O 3.08Å; C142-Y170 WeakPolarHBondContact O-CA 3.41Å; C142-V171 PolarHBondContact O-N 3.46Å
143N91.4Very high93.4Very high0 Ų026.7 Ų26.70%013%0.134CC..  trans-136.669.5-17772.5-31.6000114.5H50 E53 I54 P145 V171H50-N143 PolarHBondContact CE1-O 3.34Å; H50-N143 PolarHBondContact ND1-O 2.93Å; H50-N143 PolarHBondContact O-ND2 2.92Å; E53-N143 VanDerWaalsContact CB-ND2 3.3Å; E53-N143 WeakPolarHBondContact CB-ND2 2.97Å; E53-N143 PolarHBondContact OE2-ND2 2.71Å; I54-N143 HydrophobicContact CD1-CB 4.17Å; I54-N143 HydrophobicContact CG1-CB 4.02Å; I54-N143 WeakPolarHBondContact CG1-OD1 3.31Å; N143-P145 WeakPolarHBondContact O-CD 3.07Å; N143-V171 WeakPolarHBondContact CA-O 3.29Å; N143-V171 VanDerWaalsContact CB-O 3.25Å; N143-V171 WeakPolarHBondContact CB-O 3.26Å
144G76.5Confident93.4Very high8 Ų823.6 Ų23.68%0.08212%0.121CC..SBendtrans87.5-14.5160.500000121.4Y170 T183G144-Y170 VanDerWaalsContact CA-OH 3.28Å; G144-Y170 WeakPolarHBondContact CA-OH 3.42Å; G144-Y170 VanDerWaalsContact N-CE2 3.3Å; G144-T183 WeakPolarHBondContact O-CB 3.45Å; G144-T183 PolarHBondContact O-OG1 3.33Å
145P84.2Confident93.4Very high19 Ų1915.5 Ų15.512%0.1239%0.091CC..  trans-65.5147.3170.327.3-33.5000110.3N143 T147 C148N143-P145 WeakPolarHBondContact O-CD 3.07Å; P145-T147 PolarHBondContact O-N 2.72Å; P145-C148 WeakPolarHBondContact CD-SG 3.39Å; P145-C148 WeakPolarHBondContact CG-SG 3.47Å; P145-C148 WeakPolarHBondContact O-CB 3.28Å; P145-C148 PolarHBondContact O-N 3.27Å; P145-C148 PolarHBondContact O-SG 3.34Å
146G86.7Confident93.3Very high26 Ų2615.6 Ų15.627%0.2689%0.091SC..THydrogen-bonded Turntrans-56.8-28.3-179.900000113.1C148 V149G146-C148 PolarHBondContact O-N 3.03Å; G146-C148 VanDerWaalsContact O-N 3.15Å; G146-V149 PolarHBondContact O-N 2.91Å; G146-V149 VanDerWaalsContact O-N 3.14Å
147T90.9Very high93.3Very high9 Ų914.6 Ų14.66%0.0559%0.088CC..THydrogen-bonded Turntrans-58.9-20175.2-51.60000114.1I104 S107 P145 V149 P150I104-T147 HydrophobicContact CD1-CG2 3.43Å; I104-T147 VanDerWaalsContact CD1-CG2 3.43Å; I104-T147 HydrophobicContact CG1-CG2 3.67Å; S107-T147 WeakPolarHBondContact OG-CA 3.34Å; P145-T147 PolarHBondContact O-N 2.72Å; T147-V149 VanDerWaalsContact C-N 3.32Å; T147-V149 PolarHBondContact O-N 3.49Å; T147-P150 WeakPolarHBondContact O-CD 3.39Å; T147-P150 WeakPolarHBondContact O-CG 3.34Å
148C93.3Very high93.3Very high0 Ų014.6 Ų14.60%09%0.088CC..Hα-helixtrans-66.1-34.4175-57.90000113C142 P145 G146 L151 C152 T183 L187C142-C148 HydrophobicContact CB-CB 3.95Å; C142-C148 WeakPolarHBondContact CB-SG 3.43Å; P145-C148 WeakPolarHBondContact CD-SG 3.39Å; P145-C148 WeakPolarHBondContact CG-SG 3.47Å; P145-C148 WeakPolarHBondContact O-CB 3.28Å; P145-C148 PolarHBondContact O-N 3.27Å; P145-C148 PolarHBondContact O-SG 3.34Å; G146-C148 PolarHBondContact O-N 3.03Å; G146-C148 VanDerWaalsContact O-N 3.15Å; C148-L151 PolarHBondContact O-N 3.37Å; C148-C152 WeakPolarHBondContact O-CB 3.39Å; C148-C152 PolarHBondContact O-N 3.44Å; C148-C152 PolarHBondContact O-SG 2.85Å; C148-T183 HydrophobicContact CB-CG2 4.23Å; C148-L187 HydrophobicContact CB-CD1 3.93Å
149V94.8Very high93.2Very high15 Ų1514 Ų149%0.0919%0.085CC..Hα-helixtrans-57.6-55.7-174179.70000112G146 T147 L151 C152 I153 T183 I186G146-V149 PolarHBondContact O-N 2.91Å; G146-V149 VanDerWaalsContact O-N 3.14Å; T147-V149 VanDerWaalsContact C-N 3.32Å; T147-V149 PolarHBondContact O-N 3.49Å; V149-L151 VanDerWaalsContact C-N 3.31Å; V149-L151 PolarHBondContact O-N 2.93Å; V149-C152 PolarHBondContact O-N 3.13Å; V149-I153 HydrophobicContact CG1-CD1 3.58Å; V149-I153 HydrophobicContact CG1-CG1 4.31Å; V149-I153 WeakPolarHBondContact O-CB 3.25Å; V149-I153 VanDerWaalsContact O-CG1 3.26Å; V149-I153 WeakPolarHBondContact O-CG1 3.41Å; V149-I153 PolarHBondContact O-N 3.45Å; V149-T183 HydrophobicContact CG2-CG2 3.91Å; V149-I186 HydrophobicContact CG1-CG2 4.07Å; V149-I186 HydrophobicContact CG2-CD1 4.44Å; V149-I186 HydrophobicContact CG2-CG2 4.41Å
150P95.4Very high93.1Very high0 Ų013.5 Ų13.50%08%0.081CC..Hα-helixtrans-63-34.4-179.224.2-35.5000113.6A124 L125 T147 T154A124-P150 HydrophobicContact CB-CB 4.43Å; A124-P150 HydrophobicContact CB-CG 3.89Å; L125-P150 HydrophobicContact CB-CB 3.93Å; L125-P150 HydrophobicContact CD1-CB 3.99Å; T147-P150 WeakPolarHBondContact O-CD 3.39Å; T147-P150 WeakPolarHBondContact O-CG 3.34Å; P150-T154 WeakPolarHBondContact O-CB 3.15Å; P150-T154 PolarHBondContact O-N 3.47Å; P150-T154 PolarHBondContact O-OG1 2.86Å
151L96.6Very high92.9Very high0 Ų017.5 Ų17.50%010%0.102CC..Hα-helixtrans-68.7-44.9177.8-69.5163.7000111.6L42 V44 V71 I104 V132 C148 V149 T154 G155L42-L151 HydrophobicContact CD2-CD1 4.36Å; L42-L151 HydrophobicContact CD2-CD2 4.44Å; V44-L151 HydrophobicContact CB-CD1 4.24Å; V44-L151 HydrophobicContact CG1-CD1 3.75Å; V44-L151 HydrophobicContact CG2-CB 4.32Å; V44-L151 HydrophobicContact CG2-CD1 3.46Å; V44-L151 VanDerWaalsContact CG2-CD1 3.46Å; V71-L151 HydrophobicContact CB-CD1 3.88Å; V71-L151 HydrophobicContact CG1-CD1 3.62Å; V71-L151 HydrophobicContact CG1-CD2 4.27Å; V71-L151 HydrophobicContact CG2-CD1 4.33Å; V71-L151 HydrophobicContact CG2-CD2 4.39Å; I104-L151 HydrophobicContact CD1-CD1 3.86Å; I104-L151 HydrophobicContact CD1-CD2 4.18Å; I104-L151 HydrophobicContact CD1-CG 3.96Å; V132-L151 HydrophobicContact CG2-CD2 3.72Å; C148-L151 PolarHBondContact O-N 3.37Å; V149-L151 VanDerWaalsContact C-N 3.31Å; V149-L151 PolarHBondContact O-N 2.93Å; L151-T154 PolarHBondContact O-N 2.75Å; L151-G155 PolarHBondContact O-N 3.44Å
152C96.4Very high92.5Very high0 Ų019.2 Ų19.20%012%0.123CC..Hα-helixtrans-65.5-43.7177-650000111.6C148 V149 T154 G155 L156 I168 L187C148-C152 WeakPolarHBondContact O-CB 3.39Å; C148-C152 PolarHBondContact O-N 3.44Å; C148-C152 PolarHBondContact O-SG 2.85Å; V149-C152 PolarHBondContact O-N 3.13Å; C152-T154 PolarHBondContact O-N 3.21Å; C152-G155 PolarHBondContact O-N 3.3Å; C152-G155 VanDerWaalsContact O-N 3.16Å; C152-L156 PolarHBondContact O-N 3.41Å; C152-I168 HydrophobicContact CB-CD1 4.23Å; C152-I168 HydrophobicContact CB-CG2 4.16Å; C152-I168 WeakPolarHBondContact O-CD1 3.39Å; C152-L187 HydrophobicContact CB-CD2 3.57Å
153I95.8Very high92.4Very high72 Ų7223.1 Ų23.137%0.36914%0.143SC..Hα-helixtrans-58.5-40.1175.1-70.6171.7000110.5L125 V149 L156 L157L125-I153 HydrophobicContact CD1-CG2 4.33Å; V149-I153 HydrophobicContact CG1-CD1 3.58Å; V149-I153 HydrophobicContact CG1-CG1 4.31Å; V149-I153 WeakPolarHBondContact O-CB 3.25Å; V149-I153 VanDerWaalsContact O-CG1 3.26Å; V149-I153 WeakPolarHBondContact O-CG1 3.41Å; V149-I153 PolarHBondContact O-N 3.45Å; I153-L156 PolarHBondContact O-N 2.95Å; I153-L157 WeakPolarHBondContact O-CB 3.42Å; I153-L157 PolarHBondContact O-N 3.14Å
154T96.8Very high92.3Very high1 Ų125.1 Ų25.11%0.00615%0.152CC..Hα-helixtrans-67.3-40.1177.2-550000112.2L129 V132 F133 P150 L151 C152 L157 L158L129-T154 HydrophobicContact CD2-CG2 3.98Å; L129-T154 HydrophobicContact CG-CG2 4.45Å; V132-T154 HydrophobicContact CB-CG2 3.53Å; V132-T154 HydrophobicContact CG1-CG2 3.85Å; V132-T154 HydrophobicContact CG2-CG2 4.04Å; F133-T154 HydrophobicContact CD2-CG2 4.03Å; F133-T154 HydrophobicContact CE2-CG2 4.11Å; P150-T154 WeakPolarHBondContact O-CB 3.15Å; P150-T154 PolarHBondContact O-N 3.47Å; P150-T154 PolarHBondContact O-OG1 2.86Å; L151-T154 PolarHBondContact O-N 2.75Å; C152-T154 PolarHBondContact O-N 3.21Å; T154-L157 WeakPolarHBondContact O-CB 3.42Å; T154-L157 PolarHBondContact O-N 2.88Å; T154-L158 PolarHBondContact O-N 3.5Å
155G96Very high93Very high0 Ų030 Ų300%017%0.171CC..Hα-helixtrans-62.6-41.9173.400000112.7L151 C152 L157 L158 T159L151-G155 PolarHBondContact O-N 3.44Å; C152-G155 PolarHBondContact O-N 3.3Å; C152-G155 VanDerWaalsContact O-N 3.16Å; G155-L157 VanDerWaalsContact C-N 3.32Å; G155-L157 PolarHBondContact O-N 3.39Å; G155-L158 PolarHBondContact O-N 3.49Å; G155-T159 PolarHBondContact O-N 3.23Å; G155-T159 PolarHBondContact O-OG1 3.32Å
156L94.7Very high93.5Very high25 Ų2529.3 Ų29.313%0.13117%0.166CC..Hα-helixtrans-61.1-42.3172.7177.462.7000111.1V24 L25 C152 I153 L158 T159 I160 I168 V190V24-L156 HydrophobicContact CG1-CD1 3.95Å; L25-L156 HydrophobicContact CD2-CD1 4.04Å; L25-L156 HydrophobicContact CD2-CD2 4.03Å; C152-L156 PolarHBondContact O-N 3.41Å; I153-L156 PolarHBondContact O-N 2.95Å; L156-L158 PolarHBondContact O-N 3.37Å; L156-T159 WeakPolarHBondContact O-CA 3.45Å; L156-T159 WeakPolarHBondContact O-CB 3.42Å; L156-T159 PolarHBondContact O-N 2.78Å; L156-I160 HydrophobicContact CD1-CD1 4.14Å; L156-I160 HydrophobicContact CD1-CG1 4.26Å; L156-I160 HydrophobicContact CD2-CD1 4.34Å; L156-I160 HydrophobicContact CG-CD1 3.8Å; L156-I160 HydrophobicContact CG-CG1 4.35Å; L156-I160 WeakPolarHBondContact O-CG1 3.37Å; L156-I160 PolarHBondContact O-N 3.31Å; L156-I168 HydrophobicContact CB-CD1 4.04Å; L156-V190 HydrophobicContact CD2-CB 4.12Å; L156-V190 HydrophobicContact CD2-CG1 3.86Å
157L95.2Very high93.8Very high58 Ų5828.9 Ų28.930%0.30416%0.162SC..Hα-helixtrans-59.9-43.9177.1-17864.4000111.8L129 F133 I153 T154 G155 T159 I160 L161L129-L157 HydrophobicContact CD2-CD2 3.63Å; F133-L157 HydrophobicContact CE2-CD2 4.25Å; F133-L157 HydrophobicContact CZ-CD2 4.39Å; I153-L157 WeakPolarHBondContact O-CB 3.42Å; I153-L157 PolarHBondContact O-N 3.14Å; T154-L157 WeakPolarHBondContact O-CB 3.42Å; T154-L157 PolarHBondContact O-N 2.88Å; G155-L157 VanDerWaalsContact C-N 3.32Å; G155-L157 PolarHBondContact O-N 3.39Å; L157-T159 PolarHBondContact O-N 3.4Å; L157-I160 PolarHBondContact O-N 2.89Å; L157-L161 HydrophobicContact CD1-CD1 4.05Å; L157-L161 HydrophobicContact CD1-CG 4.07Å; L157-L161 HydrophobicContact CG-CD1 3.88Å; L157-L161 HydrophobicContact CG-CG 4.3Å; L157-L161 WeakPolarHBondContact O-CB 3.4Å; L157-L161 VanDerWaalsContact O-CG 3.25Å; L157-L161 WeakPolarHBondContact O-CG 3.26Å; L157-L161 PolarHBondContact O-N 3.25Å
158L94.8Very high94.1Very high0 Ų028.5 Ų28.50%016%0.16CC..Hα-helixtrans-57-38.4173.6-75.4-179.4000112.4V132 F133 T154 G155 L156 G162 I163 K164 V166V132-L158 HydrophobicContact CG1-CD1 3.76Å; F133-L158 HydrophobicContact CD1-CD2 3.64Å; F133-L158 HydrophobicContact CD2-CD2 3.69Å; F133-L158 HydrophobicContact CD2-CG 4.17Å; F133-L158 HydrophobicContact CE1-CD2 3.57Å; F133-L158 HydrophobicContact CE2-CD2 3.62Å; F133-L158 HydrophobicContact CE2-CG 4.07Å; F133-L158 HydrophobicContact CG-CD2 3.73Å; F133-L158 HydrophobicContact CZ-CD2 3.57Å; F133-L158 HydrophobicContact CZ-CG 4.4Å; T154-L158 PolarHBondContact O-N 3.5Å; G155-L158 PolarHBondContact O-N 3.49Å; L156-L158 PolarHBondContact O-N 3.37Å; L158-G162 PolarHBondContact O-N 3.15Å; L158-I163 HydrophobicContact CD2-CB 4.01Å; L158-I163 HydrophobicContact CD2-CD1 4Å; L158-I163 HydrophobicContact CD2-CG2 3.95Å; L158-I163 PolarHBondContact O-N 2.85Å; L158-K164 CarbonylContact C-O 3.53Å; L158-K164 PolarHBondContact O-N 3.34Å; L158-V166 HydrophobicContact CB-CG2 4.04Å; L158-V166 HydrophobicContact CD1-CG2 4.03Å
159T93.3Very high94.2Very high14 Ų1429.7 Ų29.79%0.08617%0.166CC..Hα-helixtrans-71.1-43.3179.7-56.30000111.7R20 V24 G155 L156 L157 G162 K164 K165 V166R20-T159 PolarHBondContact NH2-O 3.46Å; V24-T159 HydrophobicContact CG1-CG2 3.68Å; V24-T159 HydrophobicContact CG2-CG2 4.34Å; G155-T159 PolarHBondContact O-N 3.23Å; G155-T159 PolarHBondContact O-OG1 3.32Å; L156-T159 WeakPolarHBondContact O-CA 3.45Å; L156-T159 WeakPolarHBondContact O-CB 3.42Å; L156-T159 PolarHBondContact O-N 2.78Å; L157-T159 PolarHBondContact O-N 3.4Å; T159-G162 PolarHBondContact O-N 2.95Å; T159-G162 VanDerWaalsContact O-N 3.16Å; T159-K164 VanDerWaalsContact CA-O 3.29Å; T159-K164 WeakPolarHBondContact CA-O 3.39Å; T159-K164 PolarHBondContact N-O 3.23Å; T159-K164 PolarHBondContact OG1-O 2.89Å; T159-K165 HydrophobicContact CG2-CG 4.18Å; T159-V166 PolarHBondContact OG1-N 2.87Å
160I92.5Very high94.2Very high22 Ų2229 Ų2911%0.11316%0.162CC..Hα-helixtrans-61.1-47.6176.2-70.7169000110.4F17 R20 V21 V24 L156 L157 G162F17-I160 HydrophobicContact CE2-CG2 3.74Å; F17-I160 HydrophobicContact CZ-CG2 3.93Å; R20-I160 WeakPolarHBondContact CG-O 3.33Å; R20-I160 PolarHBondContact NE-O 3.46Å; V21-I160 HydrophobicContact CG2-CD1 4.3Å; V21-I160 HydrophobicContact CG2-CG1 4.45Å; V21-I160 HydrophobicContact CG2-CG2 3.67Å; V24-I160 HydrophobicContact CB-CG1 4.44Å; V24-I160 HydrophobicContact CG1-CG1 4.08Å; L156-I160 HydrophobicContact CD1-CD1 4.14Å; L156-I160 HydrophobicContact CD1-CG1 4.26Å; L156-I160 HydrophobicContact CD2-CD1 4.34Å; L156-I160 HydrophobicContact CG-CD1 3.8Å; L156-I160 HydrophobicContact CG-CG1 4.35Å; L156-I160 WeakPolarHBondContact O-CG1 3.37Å; L156-I160 PolarHBondContact O-N 3.31Å; L157-I160 PolarHBondContact O-N 2.89Å; I160-G162 PolarHBondContact O-N 3.19Å
161L92.8Very high94.2Very high85 Ų8529.2 Ų29.245%0.44516%0.164SC..THydrogen-bonded Turntrans-68.9-8.6178.1-65.6176000113.5F133 L157 I163F133-L161 HydrophobicContact CE1-CD1 4.38Å; F133-L161 HydrophobicContact CZ-CD1 3.88Å; L157-L161 HydrophobicContact CD1-CD1 4.05Å; L157-L161 HydrophobicContact CD1-CG 4.07Å; L157-L161 HydrophobicContact CG-CD1 3.88Å; L157-L161 HydrophobicContact CG-CG 4.3Å; L157-L161 WeakPolarHBondContact O-CB 3.4Å; L157-L161 VanDerWaalsContact O-CG 3.25Å; L157-L161 WeakPolarHBondContact O-CG 3.26Å; L157-L161 PolarHBondContact O-N 3.25Å; L161-I163 HydrophobicContact CB-CD1 3.9Å; L161-I163 HydrophobicContact CB-CG1 3.96Å; L161-I163 HydrophobicContact CD1-CD1 3.91Å; L161-I163 PolarHBondContact O-N 3.27Å
162G90.1Very high94.2Very high50 Ų5029.3 Ų29.352%0.51516%0.164SC..THydrogen-bonded Turntrans72.51118000000114.4L158 T159 I160L158-G162 PolarHBondContact O-N 3.15Å; T159-G162 PolarHBondContact O-N 2.95Å; T159-G162 VanDerWaalsContact O-N 3.16Å; I160-G162 PolarHBondContact O-N 3.19Å
163I92.1Very high94Very high82 Ų8229.7 Ų29.742%0.42117%0.167SC..SBendtrans-71.9-51.6-179.4-63170.2000110F133 L158 L161F133-I163 HydrophobicContact CD1-CD1 4.27Å; F133-I163 HydrophobicContact CE1-CD1 3.49Å; F133-I163 VanDerWaalsContact CE1-CD1 3.49Å; F133-I163 HydrophobicContact CZ-CD1 4.18Å; L158-I163 HydrophobicContact CD2-CB 4.01Å; L158-I163 HydrophobicContact CD2-CD1 4Å; L158-I163 HydrophobicContact CD2-CG2 3.95Å; L158-I163 PolarHBondContact O-N 2.85Å; L161-I163 HydrophobicContact CB-CD1 3.9Å; L161-I163 HydrophobicContact CB-CG1 3.96Å; L161-I163 HydrophobicContact CD1-CD1 3.91Å; L161-I163 PolarHBondContact O-N 3.27Å
164K90.7Very high93.8Very high42 Ų4228.6 Ų28.618%0.18316%0.161CC..  trans-151.7136.1176-176.4164.8-177.3160.80109.6Q136 P137 D138 L158 T159 V166Q136-K164 HydrophobicContact CB-CD 3.68Å; Q136-K164 VanDerWaalsContact O-CD 3.25Å; Q136-K164 WeakPolarHBondContact O-CD 3.39Å; Q136-K164 WeakPolarHBondContact O-CE 3.33Å; Q136-K164 PolarHBondContact O-NZ 2.91Å; P137-K164 VanDerWaalsContact O-CE 3.29Å; P137-K164 WeakPolarHBondContact O-CE 3.37Å; D138-K164 WeakPolarHBondContact OD1-CE 3.47Å; D138-K164 IonicContact OD1-NZ 3.89Å; D138-K164 PolarHBondContact OD1-NZ 3.5Å; D138-K164 IonicContact OD2-NZ 3.49Å; L158-K164 CarbonylContact C-O 3.53Å; L158-K164 PolarHBondContact O-N 3.34Å; T159-K164 VanDerWaalsContact CA-O 3.29Å; T159-K164 WeakPolarHBondContact CA-O 3.39Å; T159-K164 PolarHBondContact N-O 3.23Å; T159-K164 PolarHBondContact OG1-O 2.89Å; K164-V166 HydrophobicContact CG-CG2 4.43Å; K164-V166 PolarHBondContact O-N 3.25Å
165K91Very high93.4Very high111 Ų11133.5 Ų33.548%0.48319%0.194SC..  trans-76.8118.3169.9-174.3173.5-176.8177.50108.7T159T159-K165 HydrophobicContact CG2-CG 4.18Å
166V93.8Very high93.2Very high4 Ų437.6 Ų37.62%0.02421%0.21CC..  trans-114.6117.4-179.8-173.60000108.3P137 V140 L158 T159 K164P137-V166 HydrophobicContact CG-CG1 4.21Å; V140-V166 HydrophobicContact CG2-CG1 3.67Å; L158-V166 HydrophobicContact CB-CG2 4.04Å; L158-V166 HydrophobicContact CD1-CG2 4.03Å; T159-V166 PolarHBondContact OG1-N 2.87Å; K164-V166 HydrophobicContact CG-CG2 4.43Å; K164-V166 PolarHBondContact O-N 3.25Å
167G93.9Very high93Very high17 Ų1739.2 Ų39.218%0.17522%0.221CC..EExtended strand (participates in β ladder)trans-79128.4174.700000111D138 V139 V140 D192D138-G167 PolarHBondContact O-N 3.44Å; V139-G167 CarbonylContact C-O 3.44Å; V139-G167 VanDerWaalsContact CA-O 3.23Å; V139-G167 WeakPolarHBondContact CA-O 3.39Å; V140-G167 PolarHBondContact N-O 3.49Å; G167-D192 WeakPolarHBondContact CA-OD2 3.44Å
168I95.6Very high92.6Very high1 Ų143.2 Ų43.21%0.00524%0.238CC..EExtended strand (participates in β ladder)trans-101.7113.4178.6-61.1168.5000108.7C152 L156 D192 Y193C152-I168 HydrophobicContact CB-CD1 4.23Å; C152-I168 HydrophobicContact CB-CG2 4.16Å; C152-I168 WeakPolarHBondContact O-CD1 3.39Å; L156-I168 HydrophobicContact CB-CD1 4.04Å; I168-D192 PolarHBondContact N-OD2 3.06Å; I168-D192 PolarHBondContact O-N 3.24Å; I168-Y193 PolarHBondContact O-N 3.48Å; I168-Y193 VanDerWaalsContact O-N 3.1Å
169V95.8Very high92.5Very high24 Ų2445.9 Ų45.915%0.14525%0.254CS..EExtended strand (participates in β ladder)trans-109.4113.6175.9-178.80000108.8V139 V140 L141 C142 Y193 F195V139-V169 HydrophobicContact CG1-CB 4.32Å; V139-V169 HydrophobicContact CG1-CG2 3.72Å; V140-V169 PolarHBondContact O-N 3.12Å; L141-V169 WeakPolarHBondContact CA-O 3.33Å; L141-V169 HydrophobicContact CD1-CB 4.08Å; L141-V169 HydrophobicContact CD1-CG1 3.71Å; C142-V169 PolarHBondContact N-O 3.05Å; C142-V169 VanDerWaalsContact N-O 3.08Å; V169-Y193 HydrophobicContact CG2-CD2 4.11Å; V169-F195 HydrophobicContact CG1-CD2 3.81Å; V169-F195 HydrophobicContact CG1-CE2 3.62Å
170Y95.8Very high92.5Very high0 Ų045.2 Ų45.20%025%0.25CS..EExtended strand (participates in β ladder)trans-110.1130.7175.9-177.3-94.9000110.3C142 G144 E172 S181 T183 G184 L187 Y193 F194 F195C142-Y170 WeakPolarHBondContact O-CA 3.41Å; G144-Y170 VanDerWaalsContact CA-OH 3.28Å; G144-Y170 WeakPolarHBondContact CA-OH 3.42Å; G144-Y170 VanDerWaalsContact N-CE2 3.3Å; Y170-E172 HydrophobicContact CE1-CB 3.94Å; Y170-E172 PolarHBondContact OH-OE1 3.13Å; Y170-S181 PolarHBondContact OH-OG 2.75Å; Y170-T183 HydrophobicContact CE2-CG2 4.06Å; Y170-G184 VanDerWaalsContact OH-CA 3.29Å; Y170-G184 WeakPolarHBondContact OH-CA 3.35Å; Y170-G184 PolarHBondContact OH-N 2.87Å; Y170-L187 HydrophobicContact CD2-CB 4.04Å; Y170-L187 HydrophobicContact CD2-CD1 3.36Å; Y170-L187 HydrophobicContact CD2-CG 4.32Å; Y170-L187 HydrophobicContact CE2-CB 4.45Å; Y170-L187 HydrophobicContact CE2-CD1 3.65Å; Y170-L187 HydrophobicContact CG-CB 4.2Å; Y170-L187 HydrophobicContact CG-CD1 4.27Å; Y170-Y193 PolarHBondContact N-O 3.01Å; Y170-F194 AromaticContact CD1-CD2 3.53Å; Y170-F194 HydrophobicContact CD1-CD2 3.53Å; Y170-F194 HydrophobicContact CD1-CE1 4.41Å; Y170-F194 AromaticContact CD1-CE2 3.11Å; Y170-F194 HydrophobicContact CD1-CE2 3.11Å; Y170-F194 HydrophobicContact CD1-CG 4.35Å; Y170-F194 AromaticContact CD1-CZ 3.62Å; Y170-F194 HydrophobicContact CD1-CZ 3.62Å; Y170-F194 HydrophobicContact CE1-CD2 4.35Å; Y170-F194 AromaticContact CE1-CE2 3.49Å; Y170-F194 HydrophobicContact CE1-CE2 3.49Å; Y170-F194 VanDerWaalsContact CE1-CE2 3.49Å; Y170-F194 AromaticContact CE1-CZ 3.64Å; Y170-F194 HydrophobicContact CE1-CZ 3.64Å; Y170-F194 HydrophobicContact CG-CD2 4.16Å; Y170-F194 HydrophobicContact CG-CE2 4Å; Y170-F195 PolarHBondContact O-N 3.49Å
171V95.6Very high92.5Very high5 Ų545 Ų453%0.0325%0.251CS..EExtended strand (participates in β ladder)trans-115.7116173.2-175.30000108.5L57 L141 C142 N143 F195 I214L57-V171 HydrophobicContact CD1-CB 4.07Å; L57-V171 HydrophobicContact CD1-CG1 4.15Å; L57-V171 HydrophobicContact CD1-CG2 3.86Å; L141-V171 HydrophobicContact CD1-CG2 4.18Å; C142-V171 PolarHBondContact O-N 3.46Å; N143-V171 WeakPolarHBondContact CA-O 3.29Å; N143-V171 VanDerWaalsContact CB-O 3.25Å; N143-V171 WeakPolarHBondContact CB-O 3.26Å; V171-F195 HydrophobicContact CB-CB 4.5Å; V171-F195 HydrophobicContact CG1-CB 4.35Å; V171-F195 HydrophobicContact CG2-CB 4.17Å; V171-F195 HydrophobicContact CG2-CD2 4.07Å; V171-I214 HydrophobicContact CG1-CD1 3.86Å
172E95.4Very high92.4Very high2 Ų246 Ų461%0.00926%0.256CS..  trans-68.9140.6176.6-172.967-94.600110.6Y170 R176 L180 S181 F195 V196 Q197Y170-E172 HydrophobicContact CE1-CB 3.94Å; Y170-E172 PolarHBondContact OH-OE1 3.13Å; E172-R176 HydrophobicContact CG-CB 3.79Å; E172-R176 HydrophobicContact CG-CG 4.04Å; E172-L180 HydrophobicContact CG-CD2 4.19Å; E172-L180 WeakPolarHBondContact OE2-CA 3.33Å; E172-S181 VanDerWaalsContact OE1-CB 3.31Å; E172-S181 WeakPolarHBondContact OE1-CB 3.45Å; E172-S181 PolarHBondContact OE1-OG 3.46Å; E172-S181 PolarHBondContact OE2-N 3.44Å; E172-S181 PolarHBondContact OE2-OG 2.9Å; E172-S181 VanDerWaalsContact OE2-OG 3.13Å; E172-F195 PolarHBondContact N-O 2.77Å; E172-V196 HydrophobicContact CB-CG1 4.31Å; E172-Q197 PolarHBondContact O-NE2 3.17Å; E172-Q197 VanDerWaalsContact O-NE2 3.07Å
173S92.2Very high92.5Very high9 Ų944.3 Ų44.36%0.06324%0.236CC..  trans-62.8148.6-177.4169.40000112.2E53 C175 R176E53-S173 WeakPolarHBondContact OE1-CB 3.33Å; E53-S173 PolarHBondContact OE1-OG 3.1Å; S173-C175 PolarHBondContact O-N 3.45Å; S173-C175 VanDerWaalsContact O-N 3.15Å; S173-C175 PolarHBondContact OG-N 2.84Å; S173-R176 PolarHBondContact O-N 2.94Å
174I91.6Very high92.6Very high48 Ų4840.4 Ų40.425%0.24622%0.216CC..THydrogen-bonded Turntrans-61.3-27.1-178.4-166.6164000112.4E53 R176 W198 V215E53-I174 WeakPolarHBondContact OE1-CG2 3.48Å; E53-I174 PolarHBondContact OE1-N 2.91Å; E53-I174 VanDerWaalsContact OE1-N 3.1Å; I174-R176 PolarHBondContact O-N 3.08Å; I174-R176 VanDerWaalsContact O-N 3.16Å; I174-W198 PolarHBondContact O-NE1 3.4Å; I174-V215 HydrophobicContact CB-CG2 4.34Å; I174-V215 WeakPolarHBondContact CD1-O 3.43Å
175C89.4Confident92.7Very high104 Ų10444.7 Ų44.770%0.70323%0.231SC*.THydrogen-bonded Turntrans-67.5-12.9179.1-61.20000113.4S173 V177S173-C175 PolarHBondContact O-N 3.45Å; S173-C175 VanDerWaalsContact O-N 3.15Å; S173-C175 PolarHBondContact OG-N 2.84Å; C175-V177 PolarHBondContact O-N 3.46Å
176R90.2Very high92.8Very high86 Ų8642.9 Ų42.933%0.32523%0.225SC..  trans-95.987.1-177-58.9-56.6-69.5-172.9-7111E172 S173 I174 T179 L180 L201E172-R176 HydrophobicContact CG-CB 3.79Å; E172-R176 HydrophobicContact CG-CG 4.04Å; S173-R176 PolarHBondContact O-N 2.94Å; I174-R176 PolarHBondContact O-N 3.08Å; I174-R176 VanDerWaalsContact O-N 3.16Å; R176-T179 PolarHBondContact NE-O 2.74Å; R176-T179 PolarHBondContact NH2-O 3.32Å; R176-T179 PolarHBondContact NH2-OG1 2.74Å; R176-L180 PolarHBondContact NH2-O 3.2Å; R176-L201 WeakPolarHBondContact O-CD1 3.37Å
177V90.3Very high92.8Very high59 Ų5942.7 Ų42.736%0.35822%0.224SC..SBendtrans-84.3-41.9-177.3-170.60000113.1C175 W198 S200C175-V177 PolarHBondContact O-N 3.46Å; V177-W198 HydrophobicContact CB-CD2 4.3Å; V177-W198 HydrophobicContact CB-CG 4.41Å; V177-W198 HydrophobicContact CG1-CD2 3.82Å; V177-W198 HydrophobicContact CG1-CE3 3.97Å; V177-W198 HydrophobicContact CG1-CG 4.16Å; V177-W198 HydrophobicContact CG1-CZ3 4.37Å; V177-W198 HydrophobicContact CG2-CD2 4.25Å; V177-W198 HydrophobicContact CG2-CH2 4.45Å; V177-W198 HydrophobicContact CG2-CZ2 3.79Å; V177-S200 PolarHBondContact O-OG 2.92Å
178Q88.4Confident92.8Very high143 Ų14343.7 Ų43.767%0.66822%0.223SC*.SBendtrans-107.5-31.8-168-66-174.7-8.500114.4K204Q178-K204 PolarHBondContact O-NZ 3.37Å
179T92.4Very high92.6Very high55 Ų5549.9 Ų49.934%0.33726%0.255SS..SBendtrans-143145.8-176.6630000111.4R176R176-T179 PolarHBondContact NE-O 2.74Å; R176-T179 PolarHBondContact NH2-O 3.32Å; R176-T179 PolarHBondContact NH2-OG1 2.74Å
180L92.9Very high92.3Very high1 Ų150.3 Ų50.31%0.00526%0.258CS..  trans-61.5150174.4-60.5-179.1000111.5E172 R176 R185 Y188 F194 V196 L201 Y205E172-L180 HydrophobicContact CG-CD2 4.19Å; E172-L180 WeakPolarHBondContact OE2-CA 3.33Å; R176-L180 PolarHBondContact NH2-O 3.2Å; L180-R185 HydrophobicContact CB-CG 3.86Å; L180-Y188 HydrophobicContact CD1-CD2 4.32Å; L180-Y188 HydrophobicContact CD1-CG 4.45Å; L180-F194 HydrophobicContact CD1-CE1 4.14Å; L180-F194 HydrophobicContact CD1-CZ 3.86Å; L180-F194 HydrophobicContact CD2-CE1 3.72Å; L180-F194 HydrophobicContact CD2-CZ 3.8Å; L180-F194 HydrophobicContact CG-CZ 4.39Å; L180-V196 HydrophobicContact CD2-CG1 4.22Å; L180-L201 HydrophobicContact CD2-CD1 4.04Å; L180-L201 HydrophobicContact CD2-CD2 4.13Å; L180-Y205 HydrophobicContact CD1-CD1 3.72Å; L180-Y205 HydrophobicContact CD1-CD2 3.88Å; L180-Y205 HydrophobicContact CD1-CE1 3.61Å; L180-Y205 HydrophobicContact CD1-CE2 3.83Å; L180-Y205 HydrophobicContact CD1-CG 3.86Å; L180-Y205 HydrophobicContact CD2-CD2 4.16Å; L180-Y205 HydrophobicContact CD2-CE2 4.19Å; L180-Y205 HydrophobicContact CG-CD1 4.48Å; L180-Y205 HydrophobicContact CG-CD2 3.83Å; L180-Y205 HydrophobicContact CG-CE1 4.16Å; L180-Y205 HydrophobicContact CG-CE2 3.5Å; L180-Y205 VanDerWaalsContact CG-CE2 3.5Å; L180-Y205 HydrophobicContact CG-CG 4.33Å
181S92.4Very high92.2Very high18 Ų1850.4 Ų50.413%0.12626%0.259CS..  trans-65164.1169.665.80000110.5Y170 E172 T183 G184 R185Y170-S181 PolarHBondContact OH-OG 2.75Å; E172-S181 VanDerWaalsContact OE1-CB 3.31Å; E172-S181 WeakPolarHBondContact OE1-CB 3.45Å; E172-S181 PolarHBondContact OE1-OG 3.46Å; E172-S181 PolarHBondContact OE2-N 3.44Å; E172-S181 PolarHBondContact OE2-OG 2.9Å; E172-S181 VanDerWaalsContact OE2-OG 3.13Å; S181-T183 VanDerWaalsContact C-N 3.29Å; S181-T183 PolarHBondContact O-N 3.17Å; S181-G184 PolarHBondContact O-N 3.33Å; S181-G184 VanDerWaalsContact O-N 3.16Å; S181-G184 PolarHBondContact OG-N 2.91Å; S181-R185 WeakPolarHBondContact O-CG 3.43Å; S181-R185 PolarHBondContact O-N 2.93Å
182L90.3Very high92.1Very high105 Ų10552.3 Ų52.355%0.5527%0.269SS..Hα-helixtrans-59.4-45.1175.8179.863.3000110.7G184 R185 I186L182-G184 VanDerWaalsContact C-N 3.33Å; L182-G184 PolarHBondContact O-N 3Å; L182-R185 PolarHBondContact O-N 3.49Å; L182-I186 HydrophobicContact CG-CD1 4.31Å; L182-I186 WeakPolarHBondContact O-CG1 3.38Å; L182-I186 PolarHBondContact O-N 3.25Å; L182-I186 VanDerWaalsContact O-N 3.13Å
183T92.4Very high91.9Very high15 Ų1556.3 Ų56.39%0.09228%0.284CS..Hα-helixtrans-56.3-47.7172.4-48.70000111G144 C148 V149 Y170 S181 R185 I186 L187G144-T183 WeakPolarHBondContact O-CB 3.45Å; G144-T183 PolarHBondContact O-OG1 3.33Å; C148-T183 HydrophobicContact CB-CG2 4.23Å; V149-T183 HydrophobicContact CG2-CG2 3.91Å; Y170-T183 HydrophobicContact CE2-CG2 4.06Å; S181-T183 VanDerWaalsContact C-N 3.29Å; S181-T183 PolarHBondContact O-N 3.17Å; T183-R185 PolarHBondContact O-N 3.47Å; T183-I186 PolarHBondContact O-N 2.87Å; T183-L187 HydrophobicContact CG2-CD1 3.86Å; T183-L187 HydrophobicContact CG2-CG 4.35Å; T183-L187 WeakPolarHBondContact O-CB 3.05Å; T183-L187 WeakPolarHBondContact O-CG 3.43Å; T183-L187 PolarHBondContact O-N 2.9Å
184G93.5Very high92.1Very high0 Ų056 Ų560%028%0.282CS..Hα-helixtrans-60.4-42178.400000112.7Y170 S181 L182 I186 L187 Y188 F194Y170-G184 VanDerWaalsContact OH-CA 3.29Å; Y170-G184 WeakPolarHBondContact OH-CA 3.35Å; Y170-G184 PolarHBondContact OH-N 2.87Å; S181-G184 PolarHBondContact O-N 3.33Å; S181-G184 VanDerWaalsContact O-N 3.16Å; S181-G184 PolarHBondContact OG-N 2.91Å; L182-G184 VanDerWaalsContact C-N 3.33Å; L182-G184 PolarHBondContact O-N 3Å; G184-I186 VanDerWaalsContact C-N 3.35Å; G184-I186 PolarHBondContact O-N 3.35Å; G184-L187 PolarHBondContact O-N 3.41Å; G184-Y188 WeakPolarHBondContact O-CB 3.29Å; G184-Y188 PolarHBondContact O-N 3.24Å; G184-F194 VanDerWaalsContact O-CE2 3.27Å; G184-F194 WeakPolarHBondContact O-CE2 3.3Å
185R93.7Very high92.2Very high132 Ų13255.4 Ų55.450%0.49828%0.278SS..Hα-helixtrans-61.6-40.9175.1-69.3178.5-173-169.8-0.9112.7L180 S181 L182 T183L180-R185 HydrophobicContact CB-CG 3.86Å; S181-R185 WeakPolarHBondContact O-CG 3.43Å; S181-R185 PolarHBondContact O-N 2.93Å; L182-R185 PolarHBondContact O-N 3.49Å; T183-R185 PolarHBondContact O-N 3.47Å
186I93.1Very high92.5Very high72 Ų7250.5 Ų50.537%0.36924%0.244SC..Hα-helixtrans-67.4-50.2177.4-65.1165.8000109.7V149 L182 T183 G184 Y188 L189V149-I186 HydrophobicContact CG1-CG2 4.07Å; V149-I186 HydrophobicContact CG2-CD1 4.44Å; V149-I186 HydrophobicContact CG2-CG2 4.41Å; L182-I186 HydrophobicContact CG-CD1 4.31Å; L182-I186 WeakPolarHBondContact O-CG1 3.38Å; L182-I186 PolarHBondContact O-N 3.25Å; L182-I186 VanDerWaalsContact O-N 3.13Å; T183-I186 PolarHBondContact O-N 2.87Å; G184-I186 VanDerWaalsContact C-N 3.35Å; G184-I186 PolarHBondContact O-N 3.35Å; I186-Y188 VanDerWaalsContact C-N 3.31Å; I186-Y188 PolarHBondContact O-N 3.24Å; I186-L189 PolarHBondContact O-N 3.35Å
187L94.4Very high92.7Very high0 Ų046.6 Ų46.60%023%0.23CC..Hα-helixtrans-72.5-23.6-175.6-67.4-176.6000113.2C148 C152 Y170 T183 G184 L189 V190 S191C148-L187 HydrophobicContact CB-CD1 3.93Å; C152-L187 HydrophobicContact CB-CD2 3.57Å; Y170-L187 HydrophobicContact CD2-CB 4.04Å; Y170-L187 HydrophobicContact CD2-CD1 3.36Å; Y170-L187 HydrophobicContact CD2-CG 4.32Å; Y170-L187 HydrophobicContact CE2-CB 4.45Å; Y170-L187 HydrophobicContact CE2-CD1 3.65Å; Y170-L187 HydrophobicContact CG-CB 4.2Å; Y170-L187 HydrophobicContact CG-CD1 4.27Å; T183-L187 HydrophobicContact CG2-CD1 3.86Å; T183-L187 HydrophobicContact CG2-CG 4.35Å; T183-L187 WeakPolarHBondContact O-CB 3.05Å; T183-L187 WeakPolarHBondContact O-CG 3.43Å; T183-L187 PolarHBondContact O-N 2.9Å; G184-L187 PolarHBondContact O-N 3.41Å; L187-L189 PolarHBondContact O-N 3.33Å; L187-L189 VanDerWaalsContact O-N 3.15Å; L187-V190 HydrophobicContact CD2-CG2 3.64Å; L187-V190 PolarHBondContact O-N 3.47Å; L187-S191 VanDerWaalsContact O-CB 3.25Å; L187-S191 WeakPolarHBondContact O-CB 3.49Å; L187-S191 PolarHBondContact O-N 3.49Å; L187-S191 PolarHBondContact O-OG 3.23Å; L187-S191 VanDerWaalsContact O-OG 3.09Å
188Y93.6Very high92.9Very high39 Ų3947.2 Ų47.215%0.15323%0.226CC..Hα-helixtrans-54.4-34.2173.4-176.7-102.1000112.7L180 G184 I186 F194 Y205 K207 A208L180-Y188 HydrophobicContact CD1-CD2 4.32Å; L180-Y188 HydrophobicContact CD1-CG 4.45Å; G184-Y188 WeakPolarHBondContact O-CB 3.29Å; G184-Y188 PolarHBondContact O-N 3.24Å; I186-Y188 VanDerWaalsContact C-N 3.31Å; I186-Y188 PolarHBondContact O-N 3.24Å; Y188-F194 HydrophobicContact CD2-CB 4.42Å; Y188-F194 AromaticContact CD2-CD1 3.81Å; Y188-F194 HydrophobicContact CD2-CD1 3.81Å; Y188-F194 AromaticContact CD2-CD2 3.92Å; Y188-F194 HydrophobicContact CD2-CD2 3.92Å; Y188-F194 AromaticContact CD2-CE1 3.98Å; Y188-F194 HydrophobicContact CD2-CE1 3.98Å; Y188-F194 HydrophobicContact CD2-CE2 4.08Å; Y188-F194 AromaticContact CD2-CG 3.78Å; Y188-F194 HydrophobicContact CD2-CG 3.78Å; Y188-F194 HydrophobicContact CD2-CZ 4.12Å; Y188-F194 HydrophobicContact CE2-CD1 4.32Å; Y188-F194 HydrophobicContact CE2-CG 4.49Å; Y188-F194 HydrophobicContact CG-CD2 4.5Å; Y188-F194 HydrophobicContact CG-CE2 4.47Å; Y188-Y205 HydrophobicContact CE1-CD1 4.36Å; Y188-Y205 HydrophobicContact CE2-CD1 4.33Å; Y188-Y205 HydrophobicContact CE2-CG 4.37Å; Y188-Y205 VanDerWaalsContact OH-C 3.25Å; Y188-Y205 WeakPolarHBondContact OH-CA 3.34Å; Y188-K207 HydrophobicContact CE1-CB 4.39Å; Y188-K207 HydrophobicContact CE2-CB 3.64Å; Y188-K207 HydrophobicContact CE2-CD 4.48Å; Y188-K207 HydrophobicContact CE2-CG 4.42Å; Y188-K207 WeakPolarHBondContact O-CD 3.4Å; Y188-K207 WeakPolarHBondContact O-CE 3.36Å; Y188-K207 PolarHBondContact O-NZ 2.96Å; Y188-K207 VanDerWaalsContact OH-CB 3.28Å; Y188-K207 WeakPolarHBondContact OH-CB 3.36Å; Y188-K207 PolarHBondContact OH-N 3.1Å; Y188-A208 HydrophobicContact CE2-CB 4.38Å
189L90.7Very high93.1Very high130 Ų13043 Ų4368%0.68121%0.212SC*.Hα-helixtrans-74-33.2178.9-60.1177.4000112.5I186 L187I186-L189 PolarHBondContact O-N 3.35Å; L187-L189 PolarHBondContact O-N 3.33Å; L187-L189 VanDerWaalsContact O-N 3.15Å
190V90.8Very high93.2Very high34 Ų3442.3 Ų42.321%0.20621%0.21CC..Hα-helixtrans-109.8-16.9-169-62.70000114.6L156 L187L156-V190 HydrophobicContact CD2-CB 4.12Å; L156-V190 HydrophobicContact CD2-CG1 3.86Å; L187-V190 HydrophobicContact CD2-CG2 3.64Å; L187-V190 PolarHBondContact O-N 3.47Å
191S93.1Very high93.1Very high2 Ų242.3 Ų42.31%0.01421%0.209CC..  trans-75.4140.6-177.566.50000111.4L187 F194 K207L187-S191 VanDerWaalsContact O-CB 3.25Å; L187-S191 WeakPolarHBondContact O-CB 3.49Å; L187-S191 PolarHBondContact O-N 3.49Å; L187-S191 PolarHBondContact O-OG 3.23Å; L187-S191 VanDerWaalsContact O-OG 3.09Å; S191-F194 WeakPolarHBondContact OG-CD2 3.3Å; S191-K207 WeakPolarHBondContact O-CE 3.49Å; S191-K207 PolarHBondContact O-NZ 3.01Å
192D92.1Very high93.1Very high45 Ų4546.8 Ų46.824%0.24122%0.223CC..SBendtrans-71.5-44.4172.2-62.8-87.4000111G167 I168G167-D192 WeakPolarHBondContact CA-OD2 3.44Å; I168-D192 PolarHBondContact N-OD2 3.06Å; I168-D192 PolarHBondContact O-N 3.24Å
193Y93.1Very high93.1Very high86 Ų8647 Ų4734%0.33723%0.226SC..EExtended strand (participates in β ladder)trans-121.8122.9177.1-62.4-85000109.5S29 I168 V169 Y170 F195 I209S29-Y193 VanDerWaalsContact CB-OH 3.29Å; S29-Y193 WeakPolarHBondContact CB-OH 3.17Å; S29-Y193 WeakPolarHBondContact OG-CE2 3.34Å; S29-Y193 VanDerWaalsContact OG-CZ 3.3Å; S29-Y193 PolarHBondContact OG-OH 3.18Å; I168-Y193 PolarHBondContact O-N 3.48Å; I168-Y193 VanDerWaalsContact O-N 3.1Å; V169-Y193 HydrophobicContact CG2-CD2 4.11Å; Y170-Y193 PolarHBondContact N-O 3.01Å; Y193-F195 HydrophobicContact CD1-CZ 4.29Å; Y193-F195 HydrophobicContact CG-CZ 4.42Å; Y193-I209 HydrophobicContact CD1-CD1 4Å
194F94.8Very high93.1Very high1 Ų152 Ų520%0.00425%0.246CC..EExtended strand (participates in β ladder)trans-119107.5179-167-84.5000109.2Y170 L180 G184 Y188 S191 V196 A208 I209Y170-F194 AromaticContact CD1-CD2 3.53Å; Y170-F194 HydrophobicContact CD1-CD2 3.53Å; Y170-F194 HydrophobicContact CD1-CE1 4.41Å; Y170-F194 AromaticContact CD1-CE2 3.11Å; Y170-F194 HydrophobicContact CD1-CE2 3.11Å; Y170-F194 HydrophobicContact CD1-CG 4.35Å; Y170-F194 AromaticContact CD1-CZ 3.62Å; Y170-F194 HydrophobicContact CD1-CZ 3.62Å; Y170-F194 HydrophobicContact CE1-CD2 4.35Å; Y170-F194 AromaticContact CE1-CE2 3.49Å; Y170-F194 HydrophobicContact CE1-CE2 3.49Å; Y170-F194 VanDerWaalsContact CE1-CE2 3.49Å; Y170-F194 AromaticContact CE1-CZ 3.64Å; Y170-F194 HydrophobicContact CE1-CZ 3.64Å; Y170-F194 HydrophobicContact CG-CD2 4.16Å; Y170-F194 HydrophobicContact CG-CE2 4Å; L180-F194 HydrophobicContact CD1-CE1 4.14Å; L180-F194 HydrophobicContact CD1-CZ 3.86Å; L180-F194 HydrophobicContact CD2-CE1 3.72Å; L180-F194 HydrophobicContact CD2-CZ 3.8Å; L180-F194 HydrophobicContact CG-CZ 4.39Å; G184-F194 VanDerWaalsContact O-CE2 3.27Å; G184-F194 WeakPolarHBondContact O-CE2 3.3Å; Y188-F194 HydrophobicContact CD2-CB 4.42Å; Y188-F194 AromaticContact CD2-CD1 3.81Å; Y188-F194 HydrophobicContact CD2-CD1 3.81Å; Y188-F194 AromaticContact CD2-CD2 3.92Å; Y188-F194 HydrophobicContact CD2-CD2 3.92Å; Y188-F194 AromaticContact CD2-CE1 3.98Å; Y188-F194 HydrophobicContact CD2-CE1 3.98Å; Y188-F194 HydrophobicContact CD2-CE2 4.08Å; Y188-F194 AromaticContact CD2-CG 3.78Å; Y188-F194 HydrophobicContact CD2-CG 3.78Å; Y188-F194 HydrophobicContact CD2-CZ 4.12Å; Y188-F194 HydrophobicContact CE2-CD1 4.32Å; Y188-F194 HydrophobicContact CE2-CG 4.49Å; Y188-F194 HydrophobicContact CG-CD2 4.5Å; Y188-F194 HydrophobicContact CG-CE2 4.47Å; S191-F194 WeakPolarHBondContact OG-CD2 3.3Å; F194-V196 HydrophobicContact CD1-CG1 3.95Å; F194-V196 HydrophobicContact CE1-CG1 3.59Å; F194-A208 HydrophobicContact CD1-CB 3.76Å; F194-A208 HydrophobicContact CE1-CB 4.34Å; F194-A208 CarbonylContact O-C 3.54Å; F194-A208 WeakPolarHBondContact O-CA 3.46Å; F194-I209 PolarHBondContact O-N 3.46Å
195F95.4Very high93.1Very high37 Ų3754.4 Ų54.416%0.16226%0.255CS..EExtended strand (participates in β ladder)trans-99.9137.4-177.3-63.2-68.7000111.6V169 Y170 V171 E172 Y193 I209 L211V169-F195 HydrophobicContact CG1-CD2 3.81Å; V169-F195 HydrophobicContact CG1-CE2 3.62Å; Y170-F195 PolarHBondContact O-N 3.49Å; V171-F195 HydrophobicContact CB-CB 4.5Å; V171-F195 HydrophobicContact CG1-CB 4.35Å; V171-F195 HydrophobicContact CG2-CB 4.17Å; V171-F195 HydrophobicContact CG2-CD2 4.07Å; E172-F195 PolarHBondContact N-O 2.77Å; Y193-F195 HydrophobicContact CD1-CZ 4.29Å; Y193-F195 HydrophobicContact CG-CZ 4.42Å; F195-I209 WeakPolarHBondContact CA-O 3.27Å; F195-I209 HydrophobicContact CD1-CB 3.66Å; F195-I209 HydrophobicContact CD1-CD1 4.45Å; F195-I209 HydrophobicContact CD1-CG2 3.87Å; F195-I209 HydrophobicContact CE1-CB 3.8Å; F195-I209 HydrophobicContact CE1-CD1 3.86Å; F195-I209 HydrophobicContact CE1-CG1 4.44Å; F195-I209 HydrophobicContact CE1-CG2 3.74Å; F195-I209 HydrophobicContact CZ-CD1 4.42Å; F195-L211 HydrophobicContact CB-CD1 4.28Å; F195-L211 HydrophobicContact CD1-CD1 3.26Å; F195-L211 HydrophobicContact CD1-CD2 4.36Å; F195-L211 HydrophobicContact CD1-CG 3.59Å; F195-L211 HydrophobicContact CD2-CD1 4.48Å; F195-L211 HydrophobicContact CE1-CD1 3.56Å; F195-L211 HydrophobicContact CE1-CD2 4.32Å; F195-L211 HydrophobicContact CE1-CG 4Å; F195-L211 HydrophobicContact CG-CD1 3.78Å; F195-L211 HydrophobicContact CG-CG 4.41Å; F195-L211 HydrophobicContact CZ-CD1 4.28Å
196V95.6Very high92.9Very high1 Ų153.8 Ų53.81%0.00627%0.268CS..EExtended strand (participates in β ladder)trans-126.2149.7174.3-64.90000110.4E172 L180 F194 L201 R202 A208 I209 F210 L211E172-V196 HydrophobicContact CB-CG1 4.31Å; L180-V196 HydrophobicContact CD2-CG1 4.22Å; F194-V196 HydrophobicContact CD1-CG1 3.95Å; F194-V196 HydrophobicContact CE1-CG1 3.59Å; V196-L201 HydrophobicContact CB-CB 4.02Å; V196-L201 HydrophobicContact CB-CD1 4.1Å; V196-L201 HydrophobicContact CG1-CB 4Å; V196-L201 HydrophobicContact CG1-CD1 3.99Å; V196-L201 HydrophobicContact CG2-CB 4.15Å; V196-R202 HydrophobicContact CG2-CB 4.24Å; V196-A208 HydrophobicContact CB-CB 4.5Å; V196-A208 HydrophobicContact CG1-CB 3.8Å; V196-A208 HydrophobicContact CG2-CB 3.89Å; V196-I209 PolarHBondContact N-O 2.96Å; V196-F210 HydrophobicContact CG2-CB 4.36Å; V196-F210 WeakPolarHBondContact O-CA 3.45Å; V196-L211 PolarHBondContact O-N 2.97Å
197Q94.4Very high92.8Very high4 Ų454.4 Ų54.42%0.01927%0.268CS..SBendtrans-102.1-3.5-176.2-60.2-171.966.800113.9E172 F210 G212 I214 V215E172-Q197 PolarHBondContact O-NE2 3.17Å; E172-Q197 VanDerWaalsContact O-NE2 3.07Å; Q197-F210 WeakPolarHBondContact O-CE2 3.47Å; Q197-G212 VanDerWaalsContact CA-O 3.28Å; Q197-G212 WeakPolarHBondContact CA-O 3.33Å; Q197-G212 WeakPolarHBondContact CB-O 3.37Å; Q197-G212 WeakPolarHBondContact CG-O 3.32Å; Q197-I214 HydrophobicContact CG-CG1 4.14Å; Q197-V215 VanDerWaalsContact CD-CG2 3.43Å
198W94.1Very high92.8Very high72 Ų7254.7 Ų54.727%0.27327%0.27SS..  trans-124130.6-179.8-60.998.2000110.1I174 V177 S200 L201I174-W198 PolarHBondContact O-NE1 3.4Å; V177-W198 HydrophobicContact CB-CD2 4.3Å; V177-W198 HydrophobicContact CB-CG 4.41Å; V177-W198 HydrophobicContact CG1-CD2 3.82Å; V177-W198 HydrophobicContact CG1-CE3 3.97Å; V177-W198 HydrophobicContact CG1-CG 4.16Å; V177-W198 HydrophobicContact CG1-CZ3 4.37Å; V177-W198 HydrophobicContact CG2-CD2 4.25Å; V177-W198 HydrophobicContact CG2-CH2 4.45Å; V177-W198 HydrophobicContact CG2-CZ2 3.79Å; W198-S200 VanDerWaalsContact C-N 3.27Å; W198-S200 PolarHBondContact O-N 3.35Å; W198-L201 HydrophobicContact CB-CD1 4.48Å; W198-L201 HydrophobicContact CB-CG 4.41Å; W198-L201 WeakPolarHBondContact O-CB 3.35Å; W198-L201 PolarHBondContact O-N 2.9Å; W198-L201 VanDerWaalsContact O-N 3.12Å
199S93.1Very high92.8Very high55 Ų5556.1 Ų56.139%0.38528%0.28SS..Hα-helixtrans-61.2-37.4-179.551.10000112.1L201 R202 D203 F210S199-L201 PolarHBondContact O-N 2.97Å; S199-L201 VanDerWaalsContact O-N 3.1Å; S199-R202 WeakPolarHBondContact O-CB 3.29Å; S199-R202 PolarHBondContact O-N 3.47Å; S199-D203 VanDerWaalsContact O-CG 3.32Å; S199-D203 PolarHBondContact O-N 2.89Å; S199-D203 VanDerWaalsContact O-N 3.1Å; S199-F210 VanDerWaalsContact N-CE2 3.33Å
200S92.9Very high93Very high40 Ų4053.7 Ų53.728%0.2826%0.264SS..Hα-helixtrans-53-30174.350.60000114.1V177 W198 K204V177-S200 PolarHBondContact O-OG 2.92Å; W198-S200 VanDerWaalsContact C-N 3.27Å; W198-S200 PolarHBondContact O-N 3.35Å; S200-K204 WeakPolarHBondContact O-CG 3.23Å
201L91.7Very high92.9Very high0 Ų056.2 Ų56.20%028%0.276CS..Hα-helixtrans-78.2-42.9175.6-71178.8000111.3R176 L180 V196 W198 S199 D203 K204 Y205R176-L201 WeakPolarHBondContact O-CD1 3.37Å; L180-L201 HydrophobicContact CD2-CD1 4.04Å; L180-L201 HydrophobicContact CD2-CD2 4.13Å; V196-L201 HydrophobicContact CB-CB 4.02Å; V196-L201 HydrophobicContact CB-CD1 4.1Å; V196-L201 HydrophobicContact CG1-CB 4Å; V196-L201 HydrophobicContact CG1-CD1 3.99Å; V196-L201 HydrophobicContact CG2-CB 4.15Å; W198-L201 HydrophobicContact CB-CD1 4.48Å; W198-L201 HydrophobicContact CB-CG 4.41Å; W198-L201 WeakPolarHBondContact O-CB 3.35Å; W198-L201 PolarHBondContact O-N 2.9Å; W198-L201 VanDerWaalsContact O-N 3.12Å; S199-L201 PolarHBondContact O-N 2.97Å; S199-L201 VanDerWaalsContact O-N 3.1Å; L201-D203 PolarHBondContact O-N 3.29Å; L201-K204 PolarHBondContact O-N 2.98Å; L201-K204 VanDerWaalsContact O-N 3.08Å; L201-Y205 HydrophobicContact CB-CD2 4.46Å; L201-Y205 HydrophobicContact CD2-CD2 4.28Å; L201-Y205 HydrophobicContact CD2-CE2 4.02Å; L201-Y205 WeakPolarHBondContact O-CB 3.39Å; L201-Y205 WeakPolarHBondContact O-CD2 3.39Å; L201-Y205 PolarHBondContact O-N 3.45Å
202R92.1Very high92.6Very high112 Ų11256.9 Ų56.942%0.42328%0.283SS..Hα-helixtrans-56.2-43.3176.4179.2-166.965-173.90.8111.1V196 S199 K204 Y205 F210V196-R202 HydrophobicContact CG2-CB 4.24Å; S199-R202 WeakPolarHBondContact O-CB 3.29Å; S199-R202 PolarHBondContact O-N 3.47Å; R202-K204 PolarHBondContact O-N 3.5Å; R202-Y205 CarbonylContact O-C 3.51Å; R202-Y205 VanDerWaalsContact O-C 3.3Å; R202-Y205 PolarHBondContact O-N 3.44Å; R202-Y205 VanDerWaalsContact O-N 3.12Å; R202-F210 HydrophobicContact CB-CB 4.11Å; R202-F210 HydrophobicContact CG-CB 4.39Å
203D90.6Very high92.4Very high111 Ų11164.1 Ų64.159%0.59431%0.307SS*.Hα-helixtrans-64.8-26.3-177.9-55.3-21.9000112.1S199 L201S199-D203 VanDerWaalsContact O-CG 3.32Å; S199-D203 PolarHBondContact O-N 2.89Å; S199-D203 VanDerWaalsContact O-N 3.1Å; L201-D203 PolarHBondContact O-N 3.29Å
204K92.8Very high91.9Very high120 Ų12062.6 Ų62.652%0.52231%0.305SS..Hα-helixtrans-89.4-23175.2-66.5178-172.4-178.50113.8Q178 S200 L201 R202Q178-K204 PolarHBondContact O-NZ 3.37Å; S200-K204 WeakPolarHBondContact O-CG 3.23Å; L201-K204 PolarHBondContact O-N 2.98Å; L201-K204 VanDerWaalsContact O-N 3.08Å; R202-K204 PolarHBondContact O-N 3.5Å
205Y93.1Very high91.2Very high50 Ų5063.7 Ų63.720%0.19631%0.311CS..  trans-131.387.9-170-62.8-73.4000109.6L180 Y188 L201 R202 K207 A208L180-Y205 HydrophobicContact CD1-CD1 3.72Å; L180-Y205 HydrophobicContact CD1-CD2 3.88Å; L180-Y205 HydrophobicContact CD1-CE1 3.61Å; L180-Y205 HydrophobicContact CD1-CE2 3.83Å; L180-Y205 HydrophobicContact CD1-CG 3.86Å; L180-Y205 HydrophobicContact CD2-CD2 4.16Å; L180-Y205 HydrophobicContact CD2-CE2 4.19Å; L180-Y205 HydrophobicContact CG-CD1 4.48Å; L180-Y205 HydrophobicContact CG-CD2 3.83Å; L180-Y205 HydrophobicContact CG-CE1 4.16Å; L180-Y205 HydrophobicContact CG-CE2 3.5Å; L180-Y205 VanDerWaalsContact CG-CE2 3.5Å; L180-Y205 HydrophobicContact CG-CG 4.33Å; Y188-Y205 HydrophobicContact CE1-CD1 4.36Å; Y188-Y205 HydrophobicContact CE2-CD1 4.33Å; Y188-Y205 HydrophobicContact CE2-CG 4.37Å; Y188-Y205 VanDerWaalsContact OH-C 3.25Å; Y188-Y205 WeakPolarHBondContact OH-CA 3.34Å; L201-Y205 HydrophobicContact CB-CD2 4.46Å; L201-Y205 HydrophobicContact CD2-CD2 4.28Å; L201-Y205 HydrophobicContact CD2-CE2 4.02Å; L201-Y205 WeakPolarHBondContact O-CB 3.39Å; L201-Y205 WeakPolarHBondContact O-CD2 3.39Å; L201-Y205 PolarHBondContact O-N 3.45Å; R202-Y205 CarbonylContact O-C 3.51Å; R202-Y205 VanDerWaalsContact O-C 3.3Å; R202-Y205 PolarHBondContact O-N 3.44Å; R202-Y205 VanDerWaalsContact O-N 3.12Å; Y205-K207 PolarHBondContact O-N 3.23Å; Y205-K207 VanDerWaalsContact O-N 3.08Å; Y205-A208 WeakPolarHBondContact O-CB 3.02Å; Y205-A208 PolarHBondContact O-N 3.47Å
206P90.3Very high91Very high118 Ų11865.1 Ų65.177%0.76632%0.319SS*.THydrogen-bonded Turntrans-60-24.1-171.1-27.535000116A208P206-A208 VanDerWaalsContact C-N 3.28Å
207K91.1Very high90.8Very high85 Ų8568.4 Ų68.437%0.3734%0.335SS..THydrogen-bonded Turntrans-77.3-16.8175.2-174.3-175.3173.9-175.30112Y188 S191 Y205Y188-K207 HydrophobicContact CE1-CB 4.39Å; Y188-K207 HydrophobicContact CE2-CB 3.64Å; Y188-K207 HydrophobicContact CE2-CD 4.48Å; Y188-K207 HydrophobicContact CE2-CG 4.42Å; Y188-K207 WeakPolarHBondContact O-CD 3.4Å; Y188-K207 WeakPolarHBondContact O-CE 3.36Å; Y188-K207 PolarHBondContact O-NZ 2.96Å; Y188-K207 VanDerWaalsContact OH-CB 3.28Å; Y188-K207 WeakPolarHBondContact OH-CB 3.36Å; Y188-K207 PolarHBondContact OH-N 3.1Å; S191-K207 WeakPolarHBondContact O-CE 3.49Å; S191-K207 PolarHBondContact O-NZ 3.01Å; Y205-K207 PolarHBondContact O-N 3.23Å; Y205-K207 VanDerWaalsContact O-N 3.08Å
208A93.2Very high90.5Very high6 Ų672 Ų725%0.0535%0.353CS..EExtended strand (participates in β ladder)trans-75.1135.4-178.300000111.3Y188 F194 V196 Y205 P206Y188-A208 HydrophobicContact CE2-CB 4.38Å; F194-A208 HydrophobicContact CD1-CB 3.76Å; F194-A208 HydrophobicContact CE1-CB 4.34Å; F194-A208 CarbonylContact O-C 3.54Å; F194-A208 WeakPolarHBondContact O-CA 3.46Å; V196-A208 HydrophobicContact CB-CB 4.5Å; V196-A208 HydrophobicContact CG1-CB 3.8Å; V196-A208 HydrophobicContact CG2-CB 3.89Å; Y205-A208 WeakPolarHBondContact O-CB 3.02Å; Y205-A208 PolarHBondContact O-N 3.47Å; P206-A208 VanDerWaalsContact C-N 3.28Å
209I93.9Very high90.3Very high70 Ų7072 Ų7236%0.35936%0.357SS..EExtended strand (participates in β ladder)trans-100.3120176.7-56.6169.6000107.7Y193 F194 F195 V196 L211Y193-I209 HydrophobicContact CD1-CD1 4Å; F194-I209 PolarHBondContact O-N 3.46Å; F195-I209 WeakPolarHBondContact CA-O 3.27Å; F195-I209 HydrophobicContact CD1-CB 3.66Å; F195-I209 HydrophobicContact CD1-CD1 4.45Å; F195-I209 HydrophobicContact CD1-CG2 3.87Å; F195-I209 HydrophobicContact CE1-CB 3.8Å; F195-I209 HydrophobicContact CE1-CD1 3.86Å; F195-I209 HydrophobicContact CE1-CG1 4.44Å; F195-I209 HydrophobicContact CE1-CG2 3.74Å; F195-I209 HydrophobicContact CZ-CD1 4.42Å; V196-I209 PolarHBondContact N-O 2.96Å; I209-L211 HydrophobicContact CG2-CD2 4.26Å
210F93.8Very high90.2Very high78 Ų7873.1 Ų73.134%0.34236%0.356SS..EExtended strand (participates in β ladder)trans-83.6121.7176.5173.5-110.5000110.5V196 Q197 S199 R202V196-F210 HydrophobicContact CG2-CB 4.36Å; V196-F210 WeakPolarHBondContact O-CA 3.45Å; Q197-F210 WeakPolarHBondContact O-CE2 3.47Å; S199-F210 VanDerWaalsContact N-CE2 3.33Å; R202-F210 HydrophobicContact CB-CB 4.11Å; R202-F210 HydrophobicContact CG-CB 4.39Å
211L88.8Confident90Very high87 Ų8775.3 Ų75.346%0.45536%0.361SS..  trans-112.60.8176.4-67.6-178.5000113.6F195 V196 I209 I214F195-L211 HydrophobicContact CB-CD1 4.28Å; F195-L211 HydrophobicContact CD1-CD1 3.26Å; F195-L211 HydrophobicContact CD1-CD2 4.36Å; F195-L211 HydrophobicContact CD1-CG 3.59Å; F195-L211 HydrophobicContact CD2-CD1 4.48Å; F195-L211 HydrophobicContact CE1-CD1 3.56Å; F195-L211 HydrophobicContact CE1-CD2 4.32Å; F195-L211 HydrophobicContact CE1-CG 4Å; F195-L211 HydrophobicContact CG-CD1 3.78Å; F195-L211 HydrophobicContact CG-CG 4.41Å; F195-L211 HydrophobicContact CZ-CD1 4.28Å; V196-L211 PolarHBondContact O-N 2.97Å; I209-L211 HydrophobicContact CG2-CD2 4.26Å; L211-I214 HydrophobicContact CB-CD1 4.33Å; L211-I214 HydrophobicContact CB-CG2 3.76Å; L211-I214 HydrophobicContact CD1-CD1 4.03Å
212G88.5Confident89.9Confident16 Ų1680.6 Ų80.617%0.16539%0.387CS..  trans72.6-158.9-169.700000112.3Q197 I214Q197-G212 VanDerWaalsContact CA-O 3.28Å; Q197-G212 WeakPolarHBondContact CA-O 3.33Å; Q197-G212 WeakPolarHBondContact CB-O 3.37Å; Q197-G212 WeakPolarHBondContact CG-O 3.32Å; G212-I214 PolarHBondContact O-N 3.27Å
213R86.6Confident89.7Confident197 Ų19778.2 Ų78.274%0.74338%0.384SS*.  trans-83100.3-178.3-58.3-178.4-147.5165.57.1109.1
214I83.9Confident89.6Confident55 Ų5575.5 Ų75.528%0.28237%0.366SS..  trans-103.2-10.2-178.658.4178.1000112.7L57 V171 Q197 L211 G212L57-I214 HydrophobicContact CD2-CB 4.37Å; L57-I214 HydrophobicContact CD2-CD1 3.77Å; L57-I214 HydrophobicContact CD2-CG1 4Å; V171-I214 HydrophobicContact CG1-CD1 3.86Å; Q197-I214 HydrophobicContact CG-CG1 4.14Å; L211-I214 HydrophobicContact CB-CD1 4.33Å; L211-I214 HydrophobicContact CB-CG2 3.76Å; L211-I214 HydrophobicContact CD1-CD1 4.03Å; G212-I214 PolarHBondContact O-N 3.27Å
215V79.3Confident89.3Confident24 Ų2471.5 Ų71.515%0.14535%0.352CS..  trans-132.10175-73.50000111.7E53 R56 L57 I174 Q197E53-V215 HydrophobicContact CB-CB 3.96Å; E53-V215 HydrophobicContact CB-CG1 3.89Å; E53-V215 HydrophobicContact CB-CG2 4.11Å; E53-V215 HydrophobicContact CG-CB 3.93Å; E53-V215 HydrophobicContact CG-CG1 4.42Å; E53-V215 HydrophobicContact CG-CG2 3.82Å; E53-V215 WeakPolarHBondContact O-CG1 3.4Å; R56-V215 HydrophobicContact CB-CG1 4.03Å; R56-V215 VanDerWaalsContact CD-OXT 3.27Å; R56-V215 WeakPolarHBondContact CD-OXT 3.35Å; R56-V215 PolarHBondContact NH1-OXT 3.38Å; L57-V215 HydrophobicContact CD1-CG1 4.24Å; L57-V215 HydrophobicContact CD2-CG1 3.8Å; L57-V215 HydrophobicContact CG-CG1 3.61Å; I174-V215 HydrophobicContact CB-CG2 4.34Å; I174-V215 WeakPolarHBondContact CD1-O 3.43Å; Q197-V215 VanDerWaalsContact CD-CG2 3.43Å

Retrieved 215 of 215 residues in 57.2 ms (Link to these results)

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