G4VC98_SCHMA Loading...

ADP-ribosylation factor-like 10, arl10

AlphaFold DB , UniProt , Accession G4VC98, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 185 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
1M60.9Low71Confident188 Ų188123.7 Ų123.793%0.92659%0.588SS**  0-50.80-138-174-71.300112.1A3 F4 F5M1-A3 PolarHBondContact O-N 3.21Å; M1-F4 WeakPolarHBondContact O-CB 3.5Å; M1-F4 PolarHBondContact O-N 3.13Å; M1-F4 VanDerWaalsContact O-N 3.13Å; M1-F5 HydrophobicContact CG-CD2 4.38Å; M1-F5 HydrophobicContact CG-CE2 4.26Å; M1-F5 PolarHBondContact O-N 3.33Å
2L74.5Confident70.7Confident141 Ų141119.1 Ų119.174%0.73857%0.568SS**Hα-helixtrans-53.2-46177.8-109.598.1000114.4F4 F5 Q6L2-F4 VanDerWaalsContact C-N 3.26Å; L2-F4 PolarHBondContact O-N 3.38Å; L2-F5 PolarHBondContact O-N 3.01Å; L2-Q6 PolarHBondContact O-N 3.06Å
3A75.9Confident70.2Confident66 Ų66119 Ų11955%0.54556%0.558SS.*Hα-helixtrans-62.6-32.3-179.700000113.2M1 R7M1-A3 PolarHBondContact O-N 3.21Å; A3-R7 VanDerWaalsContact O-CG 3.28Å; A3-R7 WeakPolarHBondContact O-CG 3.27Å; A3-R7 PolarHBondContact O-N 2.86Å
4F72.2Confident69.7Low132 Ų132115.5 Ų115.558%0.57955%0.553SS**Hα-helixtrans-71.3-43.8176.4-179.7-102.5000111.2M1 L2 R7 I8M1-F4 WeakPolarHBondContact O-CB 3.5Å; M1-F4 PolarHBondContact O-N 3.13Å; M1-F4 VanDerWaalsContact O-N 3.13Å; L2-F4 VanDerWaalsContact C-N 3.26Å; L2-F4 PolarHBondContact O-N 3.38Å; F4-R7 PolarHBondContact O-N 2.86Å; F4-I8 HydrophobicContact CD1-CD1 3.9Å; F4-I8 HydrophobicContact CE1-CD1 3.3Å; F4-I8 HydrophobicContact CE1-CG1 4.35Å; F4-I8 HydrophobicContact CE2-CD1 4.31Å; F4-I8 HydrophobicContact CZ-CD1 3.54Å; F4-I8 HydrophobicContact CZ-CG1 4.38Å; F4-I8 PolarHBondContact O-N 3.23Å
5F76.1Confident69Low136 Ų136114.1 Ų114.160%0.59655%0.55SS*.Hα-helixtrans-64.1-39.7174.1-88.2-86.3000112.6M1 L2 I8 L9M1-F5 HydrophobicContact CG-CD2 4.38Å; M1-F5 HydrophobicContact CG-CE2 4.26Å; M1-F5 PolarHBondContact O-N 3.33Å; L2-F5 PolarHBondContact O-N 3.01Å; F5-I8 PolarHBondContact O-N 3.28Å; F5-L9 VanDerWaalsContact O-CB 3.27Å; F5-L9 WeakPolarHBondContact O-CB 3.28Å; F5-L9 PolarHBondContact O-N 3.31Å
6Q71.7Confident68.4Low116 Ų116117.5 Ų117.554%0.54256%0.561SS.*Hα-helixtrans-61.1-44.6173.3-80.5-172.9-28.400111.4L2 I8 L9 D10L2-Q6 PolarHBondContact O-N 3.06Å; Q6-I8 PolarHBondContact O-N 2.8Å; Q6-L9 PolarHBondContact O-N 2.8Å; Q6-D10 WeakPolarHBondContact O-CB 3.08Å; Q6-D10 PolarHBondContact O-N 3.42Å
7R68.9Low68.1Low195 Ų195117.4 Ų117.474%0.73655%0.554SS**Hα-helixtrans-62.3-40.6176.7-73.5178.776.2-176.94.4113.3A3 F4 W11A3-R7 VanDerWaalsContact O-CG 3.28Å; A3-R7 WeakPolarHBondContact O-CG 3.27Å; A3-R7 PolarHBondContact O-N 2.86Å; F4-R7 PolarHBondContact O-N 2.86Å; R7-W11 VanDerWaalsContact O-CB 3.27Å; R7-W11 WeakPolarHBondContact O-CB 3.32Å; R7-W11 PolarHBondContact O-N 2.87Å
8I72.3Confident67.8Low64 Ų64118.1 Ų118.133%0.32856%0.555SS.*Hα-helixtrans-66.9-42.9175.1-72176.9000110.6F4 F5 Q6 W11 I12F4-I8 HydrophobicContact CD1-CD1 3.9Å; F4-I8 HydrophobicContact CE1-CD1 3.3Å; F4-I8 HydrophobicContact CE1-CG1 4.35Å; F4-I8 HydrophobicContact CE2-CD1 4.31Å; F4-I8 HydrophobicContact CZ-CD1 3.54Å; F4-I8 HydrophobicContact CZ-CG1 4.38Å; F4-I8 PolarHBondContact O-N 3.23Å; F5-I8 PolarHBondContact O-N 3.28Å; Q6-I8 PolarHBondContact O-N 2.8Å; I8-W11 WeakPolarHBondContact O-CB 3.18Å; I8-W11 PolarHBondContact O-N 3.37Å; I8-I12 HydrophobicContact CG2-CD1 3.77Å; I8-I12 HydrophobicContact CG2-CG1 4.28Å; I8-I12 WeakPolarHBondContact O-CG1 3.49Å; I8-I12 PolarHBondContact O-N 3.22Å
9L72.5Confident68.1Low77 Ų77114.6 Ų114.640%0.40354%0.538SS..Hα-helixtrans-64.5-42.8179.2-174.566000111.2F5 Q6 W11 I12 R13F5-L9 VanDerWaalsContact O-CB 3.27Å; F5-L9 WeakPolarHBondContact O-CB 3.28Å; F5-L9 PolarHBondContact O-N 3.31Å; Q6-L9 PolarHBondContact O-N 2.8Å; L9-W11 VanDerWaalsContact C-N 3.31Å; L9-I12 PolarHBondContact O-N 3.27Å; L9-R13 WeakPolarHBondContact O-CB 3.15Å; L9-R13 WeakPolarHBondContact O-CG 3.37Å; L9-R13 PolarHBondContact O-N 3.43Å
10D70.4Confident68.9Low89 Ų89112.8 Ų112.848%0.47653%0.53SS..Hα-helixtrans-64.1-36.6175.4-67.4-21.2000111.4Q6 S14Q6-D10 WeakPolarHBondContact O-CB 3.08Å; Q6-D10 PolarHBondContact O-N 3.42Å; D10-S14 WeakPolarHBondContact O-CB 3.43Å; D10-S14 PolarHBondContact O-N 3.17Å; D10-S14 PolarHBondContact O-OG 3.37Å
11W66.1Low69.9Low157 Ų157107.5 Ų107.560%0.59551%0.505SS*.Hα-helixtrans-67.8-46.4172.9174.972.7000112.7R7 I8 L9 R13 S14 L15R7-W11 VanDerWaalsContact O-CB 3.27Å; R7-W11 WeakPolarHBondContact O-CB 3.32Å; R7-W11 PolarHBondContact O-N 2.87Å; I8-W11 WeakPolarHBondContact O-CB 3.18Å; I8-W11 PolarHBondContact O-N 3.37Å; L9-W11 VanDerWaalsContact C-N 3.31Å; W11-R13 VanDerWaalsContact C-N 3.3Å; W11-R13 PolarHBondContact O-N 2.99Å; W11-S14 PolarHBondContact O-N 3.45Å; W11-S14 PolarHBondContact O-OG 2.8Å; W11-L15 HydrophobicContact CD2-CD1 4.3Å; W11-L15 HydrophobicContact CE3-CD1 4.46Å; W11-L15 HydrophobicContact CH2-CD1 3.99Å; W11-L15 HydrophobicContact CZ2-CD1 3.81Å; W11-L15 HydrophobicContact CZ3-CD1 4.31Å; W11-L15 WeakPolarHBondContact O-CG 3.27Å; W11-L15 PolarHBondContact O-N 2.84Å
12I66.7Low71.6Confident68 Ų68101.4 Ų101.435%0.34947%0.474SS..Hα-helixtrans-62-43.7175.1-70.1172.8000109.8I8 L9 L15 F16I8-I12 HydrophobicContact CG2-CD1 3.77Å; I8-I12 HydrophobicContact CG2-CG1 4.28Å; I8-I12 WeakPolarHBondContact O-CG1 3.49Å; I8-I12 PolarHBondContact O-N 3.22Å; L9-I12 PolarHBondContact O-N 3.27Å; I12-L15 WeakPolarHBondContact O-CB 3.35Å; I12-L15 PolarHBondContact O-N 2.87Å; I12-F16 HydrophobicContact CG2-CD2 3.99Å; I12-F16 HydrophobicContact CG2-CE2 3.76Å; I12-F16 WeakPolarHBondContact O-CD2 3.39Å; I12-F16 PolarHBondContact O-N 3.32Å
13R64.3Low72.6Confident118 Ų11894.8 Ų94.845%0.44544%0.44SS..Hα-helixtrans-56.1-52175.3-88176-178.1179-2.1110.7L9 W11 L15 F16 W17L9-R13 WeakPolarHBondContact O-CB 3.15Å; L9-R13 WeakPolarHBondContact O-CG 3.37Å; L9-R13 PolarHBondContact O-N 3.43Å; W11-R13 VanDerWaalsContact C-N 3.3Å; W11-R13 PolarHBondContact O-N 2.99Å; R13-L15 PolarHBondContact O-N 3.16Å; R13-L15 VanDerWaalsContact O-N 3.16Å; R13-F16 PolarHBondContact O-N 3.47Å; R13-W17 PolarHBondContact O-N 3.19Å; R13-W17 PolarHBondContact O-NE1 2.97Å
14S63.5Low73.7Confident70 Ų7091.7 Ų91.749%0.4941%0.414SS..Hα-helixtrans-61.5-24.8179.872.50000113.8D10 W11 F16D10-S14 WeakPolarHBondContact O-CB 3.43Å; D10-S14 PolarHBondContact O-N 3.17Å; D10-S14 PolarHBondContact O-OG 3.37Å; W11-S14 PolarHBondContact O-N 3.45Å; W11-S14 PolarHBondContact O-OG 2.8Å; S14-F16 VanDerWaalsContact C-N 3.32Å
15L59.4Low75Confident95 Ų9585.4 Ų85.450%0.49739%0.386SS..Hα-helixtrans-69.3-27.4171.2-66.4171.7000113.2W11 I12 R13W11-L15 HydrophobicContact CD2-CD1 4.3Å; W11-L15 HydrophobicContact CE3-CD1 4.46Å; W11-L15 HydrophobicContact CH2-CD1 3.99Å; W11-L15 HydrophobicContact CZ2-CD1 3.81Å; W11-L15 HydrophobicContact CZ3-CD1 4.31Å; W11-L15 WeakPolarHBondContact O-CG 3.27Å; W11-L15 PolarHBondContact O-N 2.84Å; I12-L15 WeakPolarHBondContact O-CB 3.35Å; I12-L15 PolarHBondContact O-N 2.87Å; R13-L15 PolarHBondContact O-N 3.16Å; R13-L15 VanDerWaalsContact O-N 3.16Å
16F59.1Low76.1Confident168 Ų16878.9 Ų78.974%0.73736%0.358SS*.Hα-helixtrans-100.6-18.3-178.6-69.8-69.9000114.5I12 R13 S14 K18I12-F16 HydrophobicContact CG2-CD2 3.99Å; I12-F16 HydrophobicContact CG2-CE2 3.76Å; I12-F16 WeakPolarHBondContact O-CD2 3.39Å; I12-F16 PolarHBondContact O-N 3.32Å; R13-F16 PolarHBondContact O-N 3.47Å; S14-F16 VanDerWaalsContact C-N 3.32Å; F16-K18 PolarHBondContact O-N 2.9Å
17W63Low77.3Confident116 Ų11673.4 Ų73.444%0.43933%0.332SS..PPolyproline II helixtrans-78.3125.6-178.4-62.7117.8000111.8R13 N184R13-W17 PolarHBondContact O-N 3.19Å; R13-W17 PolarHBondContact O-NE1 2.97Å; W17-N184 HydrophobicContact CE3-CB 4.27Å
18K63Low78.8Confident129 Ų12964.8 Ų64.856%0.56130%0.3SS*.PPolyproline II helixtrans-81.5130.4165.3-64.9-179.3-179.2-179.50108.6F16 N64 N184F16-K18 PolarHBondContact O-N 2.9Å; K18-N64 CarbonylContact C-O 3.57Å; K18-N64 VanDerWaalsContact CA-O 3.22Å; K18-N64 WeakPolarHBondContact CA-O 3.22Å; K18-N184 PolarHBondContact O-ND2 3.36Å
19E74.4Confident79.9Confident53 Ų5365.4 Ų65.425%0.24830%0.302CS..EExtended strand (participates in β ladder)trans-81.5130.2167-58.6-164.4161.500108.5N64 V65 T66 S181E19-N64 PolarHBondContact N-O 2.66Å; E19-V65 HydrophobicContact CB-CG1 4.46Å; E19-V65 HydrophobicContact CB-CG2 4.23Å; E19-V65 CarbonylContact O-C 3.56Å; E19-V65 WeakPolarHBondContact O-CA 3.42Å; E19-T66 PolarHBondContact O-N 2.93Å; E19-S181 PolarHBondContact OE2-OG 3.37Å
20E82.4Confident81Confident78 Ų7868.6 Ų68.636%0.36431%0.31SS..EExtended strand (participates in β ladder)trans-110.4129.4172-63.9-158.8160.400109.3T66 K68E20-T66 WeakPolarHBondContact CA-O 3.49Å; E20-K68 IonicContact OE1-NZ 3.29Å; E20-K68 WeakPolarHBondContact OE2-CE 3.4Å; E20-K68 IonicContact OE2-NZ 3.79Å; E20-K68 PolarHBondContact OE2-NZ 3.48Å
21M91.2Very high82.3Confident1 Ų164.5 Ų64.51%0.00529%0.288CS..EExtended strand (participates in β ladder)trans-118.9128.8172.1-176.3173.662.800108.6L23 T66 I67 K68 N90 L177M21-L23 HydrophobicContact CE-CD1 3.63Å; M21-L23 HydrophobicContact CE-CD2 4.3Å; M21-L23 HydrophobicContact CE-CG 4.06Å; M21-L23 HydrophobicContact CG-CD2 3.88Å; M21-L23 HydrophobicContact CG-CG 4.03Å; M21-L23 HydrophobicContact SD-CD1 4.32Å; M21-L23 HydrophobicContact SD-CD2 3.88Å; M21-L23 HydrophobicContact SD-CG 4.22Å; M21-T66 PolarHBondContact N-O 2.67Å; M21-I67 HydrophobicContact CE-CB 4.21Å; M21-I67 HydrophobicContact CE-CD1 3.58Å; M21-I67 HydrophobicContact CE-CG1 3.68Å; M21-I67 HydrophobicContact CE-CG2 3.57Å; M21-I67 CarbonylContact O-C 3.5Å; M21-I67 WeakPolarHBondContact O-CA 3.32Å; M21-K68 PolarHBondContact O-N 2.86Å; M21-N90 HydrophobicContact CG-CB 3.98Å; M21-L177 HydrophobicContact CE-CB 3.92Å; M21-L177 HydrophobicContact SD-CB 4.02Å
22E95.4Very high83.7Confident61 Ų6157.6 Ų57.629%0.28527%0.265SS..EExtended strand (participates in β ladder)trans-112.3125.5174.5-168.8159.8-172.800109.5K68 W70 V89 N90E22-K68 CarbonylContact C-O 3.6Å; E22-K68 WeakPolarHBondContact CA-O 3.41Å; E22-K68 HydrophobicContact CB-CB 4.44Å; E22-K68 HydrophobicContact CG-CB 4.18Å; E22-W70 PolarHBondContact OE1-NE1 3.28Å; E22-V89 HydrophobicContact CG-CG1 4.24Å; E22-V89 WeakPolarHBondContact O-CB 3.2Å; E22-N90 PolarHBondContact N-OD1 2.89Å; E22-N90 WeakPolarHBondContact O-CB 3.23Å; E22-N90 PolarHBondContact O-N 3.05Å
23L97.5Very high85.2Confident2 Ų254.8 Ų54.81%0.0125%0.251CS..EExtended strand (participates in β ladder)trans-125.8145.1-176.9-58.6178.3000109.2M21 I67 K68 M69 W70 A91 I93 L177M21-L23 HydrophobicContact CE-CD1 3.63Å; M21-L23 HydrophobicContact CE-CD2 4.3Å; M21-L23 HydrophobicContact CE-CG 4.06Å; M21-L23 HydrophobicContact CG-CD2 3.88Å; M21-L23 HydrophobicContact CG-CG 4.03Å; M21-L23 HydrophobicContact SD-CD1 4.32Å; M21-L23 HydrophobicContact SD-CD2 3.88Å; M21-L23 HydrophobicContact SD-CG 4.22Å; L23-I67 HydrophobicContact CD1-CG2 3.81Å; L23-I67 HydrophobicContact CG-CG2 4.27Å; L23-K68 PolarHBondContact N-O 2.97Å; L23-M69 HydrophobicContact CB-CG 4.34Å; L23-M69 HydrophobicContact CD1-CG 4.32Å; L23-M69 CarbonylContact O-C 3.48Å; L23-M69 WeakPolarHBondContact O-CA 3.42Å; L23-W70 PolarHBondContact O-N 3.18Å; L23-A91 HydrophobicContact CD2-CB 3.9Å; L23-I93 HydrophobicContact CD1-CD1 4Å; L23-L177 HydrophobicContact CD1-CD1 4Å; L23-L177 HydrophobicContact CD1-CD2 3.96Å; L23-L177 HydrophobicContact CD1-CG 4.45Å; L23-L177 HydrophobicContact CD2-CD2 3.81Å
24T98.5Very high86.7Confident0 Ų050.5 Ų50.50%024%0.237CC..EExtended strand (participates in β ladder)trans-122.5125.7170.1-69.80000109.8V26 W70 I72 Y85 C86 V89 A91 I93T24-V26 HydrophobicContact CG2-CG1 3.96Å; T24-W70 HydrophobicContact CG2-CB 4.27Å; T24-I72 HydrophobicContact CG2-CG1 3.88Å; T24-Y85 PolarHBondContact OG1-O 2.85Å; T24-C86 VanDerWaalsContact CG2-SG 3.57Å; T24-V89 WeakPolarHBondContact OG1-CG1 3.44Å; T24-A91 PolarHBondContact N-O 3.29Å; T24-I93 PolarHBondContact O-N 3.35Å
25L98.7Very high88.2Confident0 Ų047.9 Ų47.90%022%0.219CC..EExtended strand (participates in β ladder)trans-97.3121.3176.8-6396.6000109.6K33 F36 V37 M69 W70 I72 I93L25-K33 HydrophobicContact CB-CB 4.16Å; L25-K33 HydrophobicContact CB-CD 4.34Å; L25-K33 HydrophobicContact CB-CG 4.2Å; L25-F36 HydrophobicContact CD2-CB 4.39Å; L25-F36 HydrophobicContact CD2-CD1 3.52Å; L25-F36 HydrophobicContact CD2-CE1 4.19Å; L25-F36 HydrophobicContact CD2-CG 4.29Å; L25-V37 HydrophobicContact CD1-CG2 3.63Å; L25-V37 HydrophobicContact CD2-CG2 3.95Å; L25-V37 HydrophobicContact CG-CG2 4.37Å; L25-M69 HydrophobicContact CD1-CB 3.81Å; L25-M69 HydrophobicContact CD1-CG 4.2Å; L25-W70 PolarHBondContact N-O 3.23Å; L25-I72 PolarHBondContact O-N 2.94Å; L25-I93 WeakPolarHBondContact CA-O 3.41Å; L25-I93 HydrophobicContact CD2-CB 4.38Å; L25-I93 HydrophobicContact CD2-CD1 4.3Å; L25-I93 HydrophobicContact CD2-CG2 4.16Å; L25-I93 HydrophobicContact CG-CB 4.06Å; L25-I93 HydrophobicContact CG-CD1 4.25Å; L25-I93 HydrophobicContact CG-CG2 4.36Å
26V98.8Very high90Very high0 Ų043.4 Ų43.40%020%0.195CC..EExtended strand (participates in β ladder)trans-135.8168.9-179.4-74.50000110T24 K33 I72 W82 I92 I93 Y94 M95 L114T24-V26 HydrophobicContact CG2-CG1 3.96Å; V26-K33 VanDerWaalsContact C-CD 3.5Å; V26-I72 HydrophobicContact CG1-CB 4.25Å; V26-I72 HydrophobicContact CG1-CG1 4.23Å; V26-W82 HydrophobicContact CB-CD2 3.9Å; V26-W82 HydrophobicContact CB-CE3 4.15Å; V26-W82 HydrophobicContact CB-CG 4.17Å; V26-W82 HydrophobicContact CG1-CB 3.85Å; V26-W82 HydrophobicContact CG1-CD2 3.83Å; V26-W82 HydrophobicContact CG1-CE3 4.45Å; V26-W82 HydrophobicContact CG1-CG 3.54Å; V26-I92 HydrophobicContact CG2-CG2 3.56Å; V26-I93 PolarHBondContact N-O 3.39Å; V26-Y94 HydrophobicContact CG2-CD2 3.85Å; V26-Y94 WeakPolarHBondContact O-CA 3.25Å; V26-M95 PolarHBondContact O-N 3.18Å; V26-L114 HydrophobicContact CB-CD2 4.46Å; V26-L114 HydrophobicContact CG2-CD2 3.77Å
27G98.7Very high91.7Very high0 Ų035.5 Ų35.50%016%0.161CC..  trans128.8167-171.500000111.6K33 G74 W82G27-K33 WeakPolarHBondContact O-CE 3.24Å; G27-K33 PolarHBondContact O-NZ 3.36Å; G27-G74 VanDerWaalsContact O-CA 3.23Å; G27-G74 WeakPolarHBondContact O-CA 3.44Å; G27-W82 VanDerWaalsContact O-CZ2 3.31Å; G27-W82 WeakPolarHBondContact O-CZ2 3.34Å
28L98.4Very high93.1Very high14 Ų1431.7 Ų31.77%0.07315%0.149CC..SBendtrans-60.1159.8-172.8-51.9-174.7000112.7S31 K33 R79 K103 A106 E110L28-S31 WeakPolarHBondContact O-CB 3.36Å; L28-S31 PolarHBondContact O-N 2.68Å; L28-S31 PolarHBondContact O-OG 2.74Å; L28-K33 PolarHBondContact O-NZ 3.41Å; L28-R79 VanDerWaalsContact CD2-CZ 3.44Å; L28-K103 HydrophobicContact CD1-CB 3.83Å; L28-A106 HydrophobicContact CD1-CB 4.16Å; L28-E110 HydrophobicContact CD2-CB 4.37Å; L28-E110 HydrophobicContact CD2-CG 3.99Å
29Q96.2Very high94.5Very high78 Ų7825.8 Ų25.836%0.36412%0.124SC..THydrogen-bonded Turntrans-56.6151171.861.4176.620.300110.9S31 G74 Q75Q29-S31 PolarHBondContact O-N 3.28Å; Q29-G74 PolarHBondContact N-O 2.95Å; Q29-Q75 HydrophobicContact CB-CG 4.44Å
30Y95.4Very high95.3Very high144 Ų14423.5 Ų23.557%0.56511%0.113SC*.THydrogen-bonded Turntrans66.12.8-178.1-51.8-68.2000117.1G32 P51 K131Y30-G32 VanDerWaalsContact C-N 3.26Å; Y30-G32 PolarHBondContact O-N 3.12Å; Y30-P51 HydrophobicContact CE1-CG 3.83Å; Y30-K131 WeakPolarHBondContact O-CE 3.4Å; Y30-K131 PolarHBondContact O-NZ 3.49Å
31S97.2Very high95.6Very high2 Ų222 Ų221%0.01411%0.114CC..SBendtrans-70.5-16.8176.168.50000114.9L28 Q29 K33 M95 N130L28-S31 WeakPolarHBondContact O-CB 3.36Å; L28-S31 PolarHBondContact O-N 2.68Å; L28-S31 PolarHBondContact O-OG 2.74Å; Q29-S31 PolarHBondContact O-N 3.28Å; S31-K33 PolarHBondContact OG-NZ 3.25Å; S31-M95 WeakPolarHBondContact CB-O 3.41Å; S31-M95 WeakPolarHBondContact O-CG 3.45Å; S31-M95 WeakPolarHBondContact OG-CB 3.4Å; S31-M95 WeakPolarHBondContact OG-CG 3.31Å; S31-M95 PolarHBondContact OG-O 2.8Å; S31-N130 PolarHBondContact O-ND2 3.45Å
32G97Very high95.3Very high12 Ų1225.2 Ų25.212%0.12414%0.136CC..SBendtrans100.321.4175.400000116.1Y30 T35 F36Y30-G32 VanDerWaalsContact C-N 3.26Å; Y30-G32 PolarHBondContact O-N 3.12Å; G32-T35 WeakPolarHBondContact O-CB 3.29Å; G32-T35 PolarHBondContact O-N 2.9Å; G32-F36 WeakPolarHBondContact O-CB 3.37Å; G32-F36 PolarHBondContact O-N 2.77Å
33K97.4Very high94.8Very high10 Ų1024.1 Ų24.14%0.04314%0.141CC..Hα-helixtrans-54.5-53.9175.9-64.6176.1-66-650113.1L25 V26 G27 L28 S31 T35 F36 V37 D71 I72 M95L25-K33 HydrophobicContact CB-CB 4.16Å; L25-K33 HydrophobicContact CB-CD 4.34Å; L25-K33 HydrophobicContact CB-CG 4.2Å; V26-K33 VanDerWaalsContact C-CD 3.5Å; G27-K33 WeakPolarHBondContact O-CE 3.24Å; G27-K33 PolarHBondContact O-NZ 3.36Å; L28-K33 PolarHBondContact O-NZ 3.41Å; S31-K33 PolarHBondContact OG-NZ 3.25Å; K33-T35 VanDerWaalsContact C-N 3.31Å; K33-T35 PolarHBondContact O-N 3.28Å; K33-F36 WeakPolarHBondContact O-CB 3.43Å; K33-F36 PolarHBondContact O-N 2.83Å; K33-V37 WeakPolarHBondContact O-CG2 3.39Å; K33-V37 PolarHBondContact O-N 3.18Å; K33-D71 VanDerWaalsContact CB-OD1 3.25Å; K33-D71 WeakPolarHBondContact CB-OD1 3.32Å; K33-I72 WeakPolarHBondContact CE-O 3.39Å; K33-M95 HydrophobicContact CG-CB 3.59Å; K33-M95 HydrophobicContact CG-CG 4.11Å
34T95.7Very high94.1Very high27 Ų2731.1 Ų31.117%0.16617%0.172CC..Hα-helixtrans-64.7-38-179.5-40.60000111.5V37 N38 M49 T52 D71T34-V37 PolarHBondContact O-N 2.8Å; T34-N38 PolarHBondContact O-N 2.84Å; T34-M49 HydrophobicContact CG2-CE 3.33Å; T34-M49 HydrophobicContact CG2-SD 3.6Å; T34-T52 PolarHBondContact OG1-OG1 3.36Å; T34-D71 WeakPolarHBondContact CA-OD2 2.95Å; T34-D71 VanDerWaalsContact CB-OD2 3.28Å; T34-D71 WeakPolarHBondContact CB-OD2 3.14Å; T34-D71 WeakPolarHBondContact CG2-OD2 3.35Å; T34-D71 PolarHBondContact OG1-OD2 2.89Å
35T96Very high93.4Very high16 Ų1634.9 Ų34.910%0.09819%0.189CC..Hα-helixtrans-59.8-47.9173.4-490000111G32 K33 V37 N38 V39 F45 C164G32-T35 WeakPolarHBondContact O-CB 3.29Å; G32-T35 PolarHBondContact O-N 2.9Å; K33-T35 VanDerWaalsContact C-N 3.31Å; K33-T35 PolarHBondContact O-N 3.28Å; T35-V37 VanDerWaalsContact C-N 3.34Å; T35-V37 PolarHBondContact O-N 3.33Å; T35-N38 WeakPolarHBondContact O-CB 3.43Å; T35-N38 PolarHBondContact O-N 3.22Å; T35-N38 VanDerWaalsContact O-N 3.15Å; T35-V39 WeakPolarHBondContact O-CG2 3.43Å; T35-V39 PolarHBondContact O-N 2.83Å; T35-F45 HydrophobicContact CG2-CD2 3.45Å; T35-F45 VanDerWaalsContact CG2-CD2 3.45Å; T35-F45 HydrophobicContact CG2-CE2 3.6Å; T35-C164 HydrophobicContact CG2-CB 3.72Å
36F96.4Very high92.6Very high0 Ų039 Ų390%021%0.211CC..Hα-helixtrans-58.3-46.3176.2-178.9-91.5000111.5L25 G32 K33 N38 V39 I40 I93 M95 L128 I162 I170 T173 L177L25-F36 HydrophobicContact CD2-CB 4.39Å; L25-F36 HydrophobicContact CD2-CD1 3.52Å; L25-F36 HydrophobicContact CD2-CE1 4.19Å; L25-F36 HydrophobicContact CD2-CG 4.29Å; G32-F36 WeakPolarHBondContact O-CB 3.37Å; G32-F36 PolarHBondContact O-N 2.77Å; K33-F36 WeakPolarHBondContact O-CB 3.43Å; K33-F36 PolarHBondContact O-N 2.83Å; F36-N38 VanDerWaalsContact C-N 3.3Å; F36-N38 PolarHBondContact O-N 3.16Å; F36-V39 PolarHBondContact O-N 3.34Å; F36-I40 HydrophobicContact CD1-CG1 3.95Å; F36-I40 HydrophobicContact CE1-CD1 4.19Å; F36-I40 HydrophobicContact CE1-CG1 3.57Å; F36-I40 HydrophobicContact CE2-CD1 4.14Å; F36-I40 HydrophobicContact CE2-CG1 4.32Å; F36-I40 HydrophobicContact CZ-CD1 3.86Å; F36-I40 HydrophobicContact CZ-CG1 3.78Å; F36-I40 WeakPolarHBondContact O-CG1 3.37Å; F36-I40 PolarHBondContact O-N 3.03Å; F36-I93 HydrophobicContact CE1-CD1 3.93Å; F36-I93 HydrophobicContact CZ-CD1 4.46Å; F36-M95 HydrophobicContact CB-CE 3.56Å; F36-M95 HydrophobicContact CD2-CE 4.02Å; F36-M95 HydrophobicContact CG-CE 3.78Å; F36-L128 HydrophobicContact CD2-CD1 4.18Å; F36-L128 HydrophobicContact CE2-CD1 3.8Å; F36-L128 HydrophobicContact CZ-CD1 4Å; F36-I162 HydrophobicContact CD2-CD1 3.82Å; F36-I162 HydrophobicContact CE2-CD1 4.1Å; F36-I170 HydrophobicContact CD2-CD1 4.28Å; F36-I170 HydrophobicContact CE2-CD1 4.14Å; F36-T173 HydrophobicContact CE2-CG2 3.81Å; F36-T173 HydrophobicContact CZ-CG2 3.64Å; F36-L177 HydrophobicContact CZ-CD1 4.5Å
37V94.8Very high91.5Very high2 Ų246.5 Ų46.51%0.01225%0.245CC..Hα-helixtrans-57.3-43.5175.9170.50000111.7L25 K33 T34 T35 I40 A41 R58 M69 D71L25-V37 HydrophobicContact CD1-CG2 3.63Å; L25-V37 HydrophobicContact CD2-CG2 3.95Å; L25-V37 HydrophobicContact CG-CG2 4.37Å; K33-V37 WeakPolarHBondContact O-CG2 3.39Å; K33-V37 PolarHBondContact O-N 3.18Å; T34-V37 PolarHBondContact O-N 2.8Å; T35-V37 VanDerWaalsContact C-N 3.34Å; T35-V37 PolarHBondContact O-N 3.33Å; V37-I40 PolarHBondContact O-N 2.9Å; V37-A41 WeakPolarHBondContact O-CB 3.41Å; V37-A41 PolarHBondContact O-N 2.97Å; V37-R58 HydrophobicContact CG1-CB 3.6Å; V37-R58 HydrophobicContact CG1-CG 3.43Å; V37-R58 VanDerWaalsContact CG1-CG 3.43Å; V37-M69 HydrophobicContact CG1-CE 4.04Å; V37-M69 HydrophobicContact CG2-CB 4.24Å; V37-M69 HydrophobicContact CG2-SD 4.16Å; V37-D71 HydrophobicContact CG2-CB 4.25Å
38N92.8Very high90.5Very high36 Ų3653.3 Ų53.319%0.19328%0.282CS..Hα-helixtrans-65.4-40.8177.5-73.4-9.9000112.4T34 T35 F36 A41 S42 M49T34-N38 PolarHBondContact O-N 2.84Å; T35-N38 WeakPolarHBondContact O-CB 3.43Å; T35-N38 PolarHBondContact O-N 3.22Å; T35-N38 VanDerWaalsContact O-N 3.15Å; F36-N38 VanDerWaalsContact C-N 3.3Å; F36-N38 PolarHBondContact O-N 3.16Å; N38-A41 PolarHBondContact O-N 2.73Å; N38-S42 PolarHBondContact O-N 2.97Å; N38-S42 PolarHBondContact O-OG 3.02Å; N38-M49 VanDerWaalsContact ND2-CE 3.32Å; N38-M49 WeakPolarHBondContact ND2-CE 3.28Å
39V92.4Very high89.7Confident5 Ų555.8 Ų55.83%0.0329%0.294CS..Hα-helixtrans-61.6-46.9175170.30000110.4T35 F36 A41 G43 C164 Q167 I170T35-V39 WeakPolarHBondContact O-CG2 3.43Å; T35-V39 PolarHBondContact O-N 2.83Å; F36-V39 PolarHBondContact O-N 3.34Å; V39-A41 VanDerWaalsContact C-N 3.34Å; V39-A41 PolarHBondContact O-N 3.46Å; V39-G43 WeakPolarHBondContact O-CA 3.41Å; V39-G43 PolarHBondContact O-N 3.15Å; V39-C164 HydrophobicContact CG2-CB 4.24Å; V39-C164 WeakPolarHBondContact CG2-O 3.21Å; V39-Q167 HydrophobicContact CG1-CG 4.22Å; V39-I170 HydrophobicContact CG1-CG1 4.41Å; V39-I170 HydrophobicContact CG1-CG2 4.34Å
40I90.3Very high89.1Confident6 Ų658.7 Ų58.73%0.03131%0.311CS..Hα-helixtrans-63.3-41.9177.2-62.3-41.3000111.7F36 V37 K62 M69 I170 L174F36-I40 HydrophobicContact CD1-CG1 3.95Å; F36-I40 HydrophobicContact CE1-CD1 4.19Å; F36-I40 HydrophobicContact CE1-CG1 3.57Å; F36-I40 HydrophobicContact CE2-CD1 4.14Å; F36-I40 HydrophobicContact CE2-CG1 4.32Å; F36-I40 HydrophobicContact CZ-CD1 3.86Å; F36-I40 HydrophobicContact CZ-CG1 3.78Å; F36-I40 WeakPolarHBondContact O-CG1 3.37Å; F36-I40 PolarHBondContact O-N 3.03Å; V37-I40 PolarHBondContact O-N 2.9Å; I40-K62 PolarHBondContact O-NZ 2.88Å; I40-M69 HydrophobicContact CB-CE 4.13Å; I40-M69 HydrophobicContact CB-SD 4.28Å; I40-M69 HydrophobicContact CG2-CE 3.87Å; I40-M69 HydrophobicContact CG2-SD 4.12Å; I40-I170 HydrophobicContact CD1-CG2 3.7Å; I40-L174 HydrophobicContact CD1-CD1 4.16Å; I40-L174 HydrophobicContact CD1-CD2 3.78Å; I40-L174 HydrophobicContact CD1-CG 4.05Å; I40-L174 HydrophobicContact CG1-CD2 4.44Å; I40-L174 HydrophobicContact CG2-CD2 4.38Å
41A88.6Confident88.3Confident46 Ų4654 Ų5438%0.3830%0.297SS..Hα-helixtrans-74.9-39.7-174.900000113.9V37 N38 V39 V60V37-A41 WeakPolarHBondContact O-CB 3.41Å; V37-A41 PolarHBondContact O-N 2.97Å; N38-A41 PolarHBondContact O-N 2.73Å; V39-A41 VanDerWaalsContact C-N 3.34Å; V39-A41 PolarHBondContact O-N 3.46Å; A41-V60 HydrophobicContact CB-CG2 3.56Å
42S86.3Confident87.7Confident68 Ų6855.1 Ų55.148%0.47630%0.304SS..Hα-helixtrans-127.7-10.5-167.969.20000114.4N38 K44N38-S42 PolarHBondContact O-N 2.97Å; N38-S42 PolarHBondContact O-OG 3.02Å; S42-K44 PolarHBondContact O-N 3.38Å; S42-K44 PolarHBondContact OG-N 3.31Å
43G84.2Confident87.1Confident38 Ų3859.7 Ų59.739%0.39233%0.33SS..SBendtrans67.212.1-172.300000113.6V39 Q167V39-G43 WeakPolarHBondContact O-CA 3.41Å; V39-G43 PolarHBondContact O-N 3.15Å; G43-Q167 PolarHBondContact O-NE2 2.79Å
44K83.4Confident86.8Confident150 Ų15059.8 Ų59.865%0.65233%0.334SS*.  trans-112.5135.2-177.1-62.1-176.2-178.8-175.20110.9S42S42-K44 PolarHBondContact O-N 3.38Å; S42-K44 PolarHBondContact OG-N 3.31Å
45F83Confident86.7Confident79 Ų7963 Ų6335%0.34635%0.346SS..  trans-87.1138.5163.6175.3-101.1000108.8T35 E47 K165T35-F45 HydrophobicContact CG2-CD2 3.45Å; T35-F45 VanDerWaalsContact CG2-CD2 3.45Å; T35-F45 HydrophobicContact CG2-CE2 3.6Å; F45-E47 HydrophobicContact CE1-CB 3.8Å; F45-E47 HydrophobicContact CE1-CG 4.15Å; F45-E47 HydrophobicContact CZ-CB 4.4Å; F45-K165 HydrophobicContact CD1-CG 4.26Å; F45-K165 HydrophobicContact CD2-CB 4.14Å; F45-K165 HydrophobicContact CD2-CG 4.47Å; F45-K165 HydrophobicContact CE1-CG 4.08Å; F45-K165 HydrophobicContact CE2-CB 3.99Å; F45-K165 HydrophobicContact CE2-CG 4.31Å; F45-K165 HydrophobicContact CG-CG 4.46Å; F45-K165 HydrophobicContact CZ-CB 4.26Å; F45-K165 HydrophobicContact CZ-CG 4.11Å
46D82.5Confident86.6Confident87 Ų8765.2 Ų65.247%0.46536%0.357SS..  trans-121.8122.8171.9-167.5-12000107.1D48D46-D48 PolarHBondContact OD1-N 3.12Å
47E75.7Confident86.5Confident156 Ų15668.2 Ų68.273%0.72937%0.372SS*.SBendtrans-75-32.6-175-164.7164.9-163.700111F45 M49F45-E47 HydrophobicContact CE1-CB 3.8Å; F45-E47 HydrophobicContact CE1-CG 4.15Å; F45-E47 HydrophobicContact CZ-CB 4.4Å; E47-M49 PolarHBondContact O-N 3.26Å; E47-M49 VanDerWaalsContact O-N 3.13Å
48D77Confident86.4Confident144 Ų14474 Ų7477%0.7739%0.394SS*.  trans-91.668.8-174.7-70-40.5000111.9D46D46-D48 PolarHBondContact OD1-N 3.12Å
49M81.6Confident86.4Confident65 Ų6578.6 Ų78.632%0.3241%0.413SS..PPolyproline II helixtrans-93.1124178.4-174.860.476.300113.2T34 N38 E47T34-M49 HydrophobicContact CG2-CE 3.33Å; T34-M49 HydrophobicContact CG2-SD 3.6Å; N38-M49 VanDerWaalsContact ND2-CE 3.32Å; N38-M49 WeakPolarHBondContact ND2-CE 3.28Å; E47-M49 PolarHBondContact O-N 3.26Å; E47-M49 VanDerWaalsContact O-N 3.13Å
50I82.7Confident86.2Confident140 Ų14079 Ų7972%0.71842%0.415SS*.PPolyproline II helixtrans-92141.9173.5-58.3173.5000109.7T52I50-T52 PolarHBondContact O-N 3.04Å
51P80.3Confident85.9Confident44 Ų4483 Ų8329%0.28644%0.439SS..PPolyproline II helixtrans-55.4129.3177.9-27.935.8000114Y30 V53 Q75Y30-P51 HydrophobicContact CE1-CG 3.83Å; P51-V53 PolarHBondContact O-N 3.05Å; P51-Q75 VanDerWaalsContact CB-NE2 3.34Å
52T83.7Confident85.1Confident26 Ų2686.9 Ų86.916%0.1645%0.448CS..PPolyproline II helixtrans-60.6127.5177.8-50.40000112T34 I50 D71T34-T52 PolarHBondContact OG1-OG1 3.36Å; I50-T52 PolarHBondContact O-N 3.04Å; T52-D71 PolarHBondContact OG1-OD2 3.32Å
53V84.5Confident84.6Confident108 Ų10886.9 Ų86.966%0.65546%0.459SS*.  trans-89.4114.9172177.40000108.5P51 F55 F78P51-V53 PolarHBondContact O-N 3.05Å; V53-F55 PolarHBondContact O-N 3.15Å; V53-F78 HydrophobicContact CB-CZ 4.41Å; V53-F78 HydrophobicContact CG1-CZ 3.93Å
54G90.9Very high84.2Confident13 Ų1389.4 Ų89.413%0.13446%0.463CS..SBendtrans74.5-104.7178.400000112.7G73 F78G54-G73 PolarHBondContact O-N 3.11Å; G54-F78 VanDerWaalsContact N-CZ 3.27Å
55F93Very high83.8Confident94 Ų9483.9 Ų83.941%0.41244%0.442SS..EExtended strand (participates in β ladder)trans-148.4157.4-178.667.3-87000111.9V53 W70 D71 I72 Y85V53-F55 PolarHBondContact O-N 3.15Å; F55-W70 AromaticContact CD2-CE3 3.87Å; F55-W70 HydrophobicContact CD2-CE3 3.87Å; F55-W70 AromaticContact CD2-CZ3 3.63Å; F55-W70 HydrophobicContact CD2-CZ3 3.63Å; F55-W70 HydrophobicContact CE2-CE3 4.4Å; F55-W70 AromaticContact CE2-CZ3 3.69Å; F55-W70 HydrophobicContact CE2-CZ3 3.69Å; F55-D71 CarbonylContact C-O 3.6Å; F55-D71 VanDerWaalsContact CA-O 3.25Å; F55-D71 WeakPolarHBondContact CA-O 3.32Å; F55-I72 HydrophobicContact CB-CD1 3.54Å; F55-Y85 HydrophobicContact CD1-CE1 4.36Å; F55-Y85 HydrophobicContact CD1-CE2 4.22Å; F55-Y85 AromaticContact CD1-CZ 3.67Å; F55-Y85 WeakPolarHBondContact CD1-OH 3.46Å; F55-Y85 HydrophobicContact CD2-CE1 4.01Å; F55-Y85 AromaticContact CE1-CZ 3.92Å; F55-Y85 WeakPolarHBondContact CE1-OH 3.39Å; F55-Y85 HydrophobicContact CE2-CE1 4.28Å; F55-Y85 HydrophobicContact CG-CE1 4.06Å; F55-Y85 HydrophobicContact CG-CE2 4.44Å; F55-Y85 AromaticContact CG-CZ 3.81Å; F55-Y85 WeakPolarHBondContact CZ-OH 3.34Å
56N93.7Very high84Confident63 Ų6380.7 Ų80.734%0.33743%0.429SS..EExtended strand (participates in β ladder)trans-131.4145.2170.3-166.4-90.2000110.2R58 W70 D71N56-R58 WeakPolarHBondContact OD1-CD 3.45Å; N56-R58 WeakPolarHBondContact OD1-CG 3.43Å; N56-R58 PolarHBondContact OD1-NE 2.87Å; N56-R58 VanDerWaalsContact OD1-NE 3.14Å; N56-W70 CarbonylContact O-C 3.55Å; N56-W70 WeakPolarHBondContact O-CA 3.47Å; N56-D71 HydrophobicContact CB-CB 4.36Å; N56-D71 PolarHBondContact N-O 3.31Å; N56-D71 PolarHBondContact O-N 2.85Å
57L94.4Very high84.4Confident62 Ų6277.4 Ų77.433%0.32541%0.411SS..EExtended strand (participates in β ladder)trans-110.3120.9171.1176.660.7000109.4K59 K68 W70L57-K59 HydrophobicContact CG-CG 4.45Å; L57-K68 HydrophobicContact CD1-CB 4.26Å; L57-W70 HydrophobicContact CB-CD2 4.43Å; L57-W70 HydrophobicContact CB-CE3 3.82Å; L57-W70 HydrophobicContact CB-CH2 4.08Å; L57-W70 HydrophobicContact CB-CZ3 3.62Å; L57-W70 HydrophobicContact CD1-CD2 3.86Å; L57-W70 HydrophobicContact CD1-CE3 4.12Å; L57-W70 HydrophobicContact CD1-CG 4.34Å; L57-W70 HydrophobicContact CD1-CH2 4.33Å; L57-W70 HydrophobicContact CD1-CZ2 4.06Å; L57-W70 HydrophobicContact CD1-CZ3 4.35Å; L57-W70 HydrophobicContact CD2-CH2 3.79Å; L57-W70 HydrophobicContact CD2-CZ2 3.97Å; L57-W70 HydrophobicContact CD2-CZ3 4.23Å; L57-W70 HydrophobicContact CG-CE3 4.44Å; L57-W70 HydrophobicContact CG-CH2 4.28Å; L57-W70 HydrophobicContact CG-CZ2 4.45Å; L57-W70 HydrophobicContact CG-CZ3 4.27Å
58R93.7Very high85.3Confident125 Ų12571.9 Ų71.947%0.47239%0.385SS..EExtended strand (participates in β ladder)trans-112.7135.9169-66.2-58-171.7157.63110.5V37 N56 M69V37-R58 HydrophobicContact CG1-CB 3.6Å; V37-R58 HydrophobicContact CG1-CG 3.43Å; V37-R58 VanDerWaalsContact CG1-CG 3.43Å; N56-R58 WeakPolarHBondContact OD1-CD 3.45Å; N56-R58 WeakPolarHBondContact OD1-CG 3.43Å; N56-R58 PolarHBondContact OD1-NE 2.87Å; N56-R58 VanDerWaalsContact OD1-NE 3.14Å; R58-M69 HydrophobicContact CB-CE 4.48Å; R58-M69 PolarHBondContact N-O 3.05Å; R58-M69 PolarHBondContact O-N 3.46Å
59K92.1Very high86.3Confident132 Ų13265 Ų6557%0.57435%0.348SS*.EExtended strand (participates in β ladder)trans-115.7127.6173.6-60.7-169.8-178.8174.40108.8L57 I67 K68L57-K59 HydrophobicContact CG-CG 4.45Å; K59-I67 CarbonylContact C-O 3.58Å; K59-I67 VanDerWaalsContact CA-O 3.32Å; K59-I67 WeakPolarHBondContact CA-O 3.34Å; K59-K68 HydrophobicContact CD-CG 4.23Å; K59-K68 HydrophobicContact CG-CG 4.1Å
60V88.2Confident87.1Confident12 Ų1264.2 Ų64.27%0.07334%0.342CS..EExtended strand (participates in β ladder)trans-122.3121.7178.1-177.40000107.6A41 K62 T66 I67 M69A41-V60 HydrophobicContact CB-CG2 3.56Å; V60-K62 HydrophobicContact CG1-CG 4.24Å; V60-T66 WeakPolarHBondContact O-CA 3.4Å; V60-I67 PolarHBondContact N-O 2.79Å; V60-I67 PolarHBondContact O-N 2.79Å; V60-M69 HydrophobicContact CB-CE 4.45Å; V60-M69 HydrophobicContact CG2-CE 3.54Å
61T84.7Confident87.8Confident90 Ų9057.7 Ų57.755%0.55231%0.308SS*.EExtended strand (participates in β ladder)trans-107.9120.3175-53.60000108.5V65 T66T61-V65 WeakPolarHBondContact CA-O 3.41Å; T61-T66 PolarHBondContact OG1-OG1 3.43Å
62K72.3Confident88.6Confident129 Ų12955.6 Ų55.656%0.56129%0.294SS*.EExtended strand (participates in β ladder)trans-126.4111.9172.4-71.9-174.1-177.9176.20108.1I40 V60 N64 V65I40-K62 PolarHBondContact O-NZ 2.88Å; V60-K62 HydrophobicContact CG1-CG 4.24Å; K62-N64 PolarHBondContact O-N 2.8Å; K62-V65 PolarHBondContact N-O 3.26Å; K62-V65 PolarHBondContact O-N 3.04Å
63G74.8Confident89.1Confident68 Ų6854.4 Ų54.470%0.70129%0.288SS*.THydrogen-bonded Turntrans59.3-126.2-171.600000111.3
64N75.8Confident89.7Confident90 Ų9049.6 Ų49.648%0.48126%0.259SS..THydrogen-bonded Turntrans-90.32-179.9-67.6-8.5000113.7K18 E19 K62K18-N64 CarbonylContact C-O 3.57Å; K18-N64 VanDerWaalsContact CA-O 3.22Å; K18-N64 WeakPolarHBondContact CA-O 3.22Å; E19-N64 PolarHBondContact N-O 2.66Å; K62-N64 PolarHBondContact O-N 2.8Å
65V75.7Confident89.9Confident34 Ų3450.4 Ų50.421%0.20626%0.26CS..EExtended strand (participates in β ladder)trans-104124.6-178.8-173.50000109.9E19 T61 K62 I67E19-V65 HydrophobicContact CB-CG1 4.46Å; E19-V65 HydrophobicContact CB-CG2 4.23Å; E19-V65 CarbonylContact O-C 3.56Å; E19-V65 WeakPolarHBondContact O-CA 3.42Å; T61-V65 WeakPolarHBondContact CA-O 3.41Å; K62-V65 PolarHBondContact N-O 3.26Å; K62-V65 PolarHBondContact O-N 3.04Å; V65-I67 HydrophobicContact CG1-CG1 4.15Å
66T87.1Confident90Very high13 Ų1350.3 Ų50.38%0.0827%0.269CS..EExtended strand (participates in β ladder)trans-108.2119.4171.4-590000109.8E19 E20 M21 V60 T61E19-T66 PolarHBondContact O-N 2.93Å; E20-T66 WeakPolarHBondContact CA-O 3.49Å; M21-T66 PolarHBondContact N-O 2.67Å; V60-T66 WeakPolarHBondContact O-CA 3.4Å; T61-T66 PolarHBondContact OG1-OG1 3.43Å
67I91.4Very high90.1Very high18 Ų1855.1 Ų55.19%0.09228%0.282CS..EExtended strand (participates in β ladder)trans-103.1116.7177.3-49.6-179.5000108.8M21 L23 K59 V60 V65 M69M21-I67 HydrophobicContact CE-CB 4.21Å; M21-I67 HydrophobicContact CE-CD1 3.58Å; M21-I67 HydrophobicContact CE-CG1 3.68Å; M21-I67 HydrophobicContact CE-CG2 3.57Å; M21-I67 CarbonylContact O-C 3.5Å; M21-I67 WeakPolarHBondContact O-CA 3.32Å; L23-I67 HydrophobicContact CD1-CG2 3.81Å; L23-I67 HydrophobicContact CG-CG2 4.27Å; K59-I67 CarbonylContact C-O 3.58Å; K59-I67 VanDerWaalsContact CA-O 3.32Å; K59-I67 WeakPolarHBondContact CA-O 3.34Å; V60-I67 PolarHBondContact N-O 2.79Å; V60-I67 PolarHBondContact O-N 2.79Å; V65-I67 HydrophobicContact CG1-CG1 4.15Å; I67-M69 HydrophobicContact CG2-CG 3.82Å; I67-M69 HydrophobicContact CG2-SD 4.38Å
68K94.4Very high90.2Very high39 Ų3953.2 Ų53.217%0.1727%0.271CS..EExtended strand (participates in β ladder)trans-94.2122.9169.3-61.2176.5-169158.70108E20 M21 E22 L23 L57 K59E20-K68 IonicContact OE1-NZ 3.29Å; E20-K68 WeakPolarHBondContact OE2-CE 3.4Å; E20-K68 IonicContact OE2-NZ 3.79Å; E20-K68 PolarHBondContact OE2-NZ 3.48Å; M21-K68 PolarHBondContact O-N 2.86Å; E22-K68 CarbonylContact C-O 3.6Å; E22-K68 WeakPolarHBondContact CA-O 3.41Å; E22-K68 HydrophobicContact CB-CB 4.44Å; E22-K68 HydrophobicContact CG-CB 4.18Å; L23-K68 PolarHBondContact N-O 2.97Å; L57-K68 HydrophobicContact CD1-CB 4.26Å; K59-K68 HydrophobicContact CD-CG 4.23Å; K59-K68 HydrophobicContact CG-CG 4.1Å
69M97Very high90.4Very high1 Ų149.3 Ų49.31%0.00526%0.257CS..EExtended strand (participates in β ladder)trans-120.8115.8179.7-66.5179.3-73.500109.4L23 L25 V37 I40 R58 V60 I67L23-M69 HydrophobicContact CB-CG 4.34Å; L23-M69 HydrophobicContact CD1-CG 4.32Å; L23-M69 CarbonylContact O-C 3.48Å; L23-M69 WeakPolarHBondContact O-CA 3.42Å; L25-M69 HydrophobicContact CD1-CB 3.81Å; L25-M69 HydrophobicContact CD1-CG 4.2Å; V37-M69 HydrophobicContact CG1-CE 4.04Å; V37-M69 HydrophobicContact CG2-CB 4.24Å; V37-M69 HydrophobicContact CG2-SD 4.16Å; I40-M69 HydrophobicContact CB-CE 4.13Å; I40-M69 HydrophobicContact CB-SD 4.28Å; I40-M69 HydrophobicContact CG2-CE 3.87Å; I40-M69 HydrophobicContact CG2-SD 4.12Å; R58-M69 HydrophobicContact CB-CE 4.48Å; R58-M69 PolarHBondContact N-O 3.05Å; R58-M69 PolarHBondContact O-N 3.46Å; V60-M69 HydrophobicContact CB-CE 4.45Å; V60-M69 HydrophobicContact CG2-CE 3.54Å; I67-M69 HydrophobicContact CG2-CG 3.82Å; I67-M69 HydrophobicContact CG2-SD 4.38Å
70W97.8Very high90.5Very high48 Ų4847.9 Ų47.918%0.18226%0.263CS..EExtended strand (participates in β ladder)trans-86.4111.8167-64.7103.4000109.3E22 L23 T24 L25 F55 N56 L57 I72 Y85E22-W70 PolarHBondContact OE1-NE1 3.28Å; L23-W70 PolarHBondContact O-N 3.18Å; T24-W70 HydrophobicContact CG2-CB 4.27Å; L25-W70 PolarHBondContact N-O 3.23Å; F55-W70 AromaticContact CD2-CE3 3.87Å; F55-W70 HydrophobicContact CD2-CE3 3.87Å; F55-W70 AromaticContact CD2-CZ3 3.63Å; F55-W70 HydrophobicContact CD2-CZ3 3.63Å; F55-W70 HydrophobicContact CE2-CE3 4.4Å; F55-W70 AromaticContact CE2-CZ3 3.69Å; F55-W70 HydrophobicContact CE2-CZ3 3.69Å; N56-W70 CarbonylContact O-C 3.55Å; N56-W70 WeakPolarHBondContact O-CA 3.47Å; L57-W70 HydrophobicContact CB-CD2 4.43Å; L57-W70 HydrophobicContact CB-CE3 3.82Å; L57-W70 HydrophobicContact CB-CH2 4.08Å; L57-W70 HydrophobicContact CB-CZ3 3.62Å; L57-W70 HydrophobicContact CD1-CD2 3.86Å; L57-W70 HydrophobicContact CD1-CE3 4.12Å; L57-W70 HydrophobicContact CD1-CG 4.34Å; L57-W70 HydrophobicContact CD1-CH2 4.33Å; L57-W70 HydrophobicContact CD1-CZ2 4.06Å; L57-W70 HydrophobicContact CD1-CZ3 4.35Å; L57-W70 HydrophobicContact CD2-CH2 3.79Å; L57-W70 HydrophobicContact CD2-CZ2 3.97Å; L57-W70 HydrophobicContact CD2-CZ3 4.23Å; L57-W70 HydrophobicContact CG-CE3 4.44Å; L57-W70 HydrophobicContact CG-CH2 4.28Å; L57-W70 HydrophobicContact CG-CZ2 4.45Å; L57-W70 HydrophobicContact CG-CZ3 4.27Å; W70-I72 HydrophobicContact CB-CD1 3.98Å; W70-Y85 AromaticContact CD2-CD1 3.87Å; W70-Y85 HydrophobicContact CD2-CD1 3.87Å; W70-Y85 HydrophobicContact CD2-CE1 4.32Å; W70-Y85 AromaticContact CE3-CD1 3.81Å; W70-Y85 HydrophobicContact CE3-CD1 3.81Å; W70-Y85 AromaticContact CE3-CE1 3.84Å; W70-Y85 HydrophobicContact CE3-CE1 3.84Å; W70-Y85 HydrophobicContact CG-CD1 4.22Å; W70-Y85 HydrophobicContact CH2-CE1 4.41Å; W70-Y85 HydrophobicContact CZ3-CD1 4.28Å; W70-Y85 AromaticContact CZ3-CE1 3.89Å; W70-Y85 HydrophobicContact CZ3-CE1 3.89Å
71D97.3Very high90.8Very high2 Ų249.6 Ų49.61%0.01127%0.271CS..EExtended strand (participates in β ladder)trans-93.1112.7171.6177.131.2000109.3K33 T34 V37 T52 F55 N56K33-D71 VanDerWaalsContact CB-OD1 3.25Å; K33-D71 WeakPolarHBondContact CB-OD1 3.32Å; T34-D71 WeakPolarHBondContact CA-OD2 2.95Å; T34-D71 VanDerWaalsContact CB-OD2 3.28Å; T34-D71 WeakPolarHBondContact CB-OD2 3.14Å; T34-D71 WeakPolarHBondContact CG2-OD2 3.35Å; T34-D71 PolarHBondContact OG1-OD2 2.89Å; V37-D71 HydrophobicContact CG2-CB 4.25Å; T52-D71 PolarHBondContact OG1-OD2 3.32Å; F55-D71 CarbonylContact C-O 3.6Å; F55-D71 VanDerWaalsContact CA-O 3.25Å; F55-D71 WeakPolarHBondContact CA-O 3.32Å; N56-D71 HydrophobicContact CB-CB 4.36Å; N56-D71 PolarHBondContact N-O 3.31Å; N56-D71 PolarHBondContact O-N 2.85Å
72I97.2Very high91.5Very high0 Ų045.5 Ų45.50%025%0.245CC..EExtended strand (participates in β ladder)trans-105.8138-175.3-44.4-59.1000110.7T24 L25 V26 K33 F55 W70 G74 W82 Y85T24-I72 HydrophobicContact CG2-CG1 3.88Å; L25-I72 PolarHBondContact O-N 2.94Å; V26-I72 HydrophobicContact CG1-CB 4.25Å; V26-I72 HydrophobicContact CG1-CG1 4.23Å; K33-I72 WeakPolarHBondContact CE-O 3.39Å; F55-I72 HydrophobicContact CB-CD1 3.54Å; W70-I72 HydrophobicContact CB-CD1 3.98Å; I72-G74 PolarHBondContact O-N 3.1Å; I72-W82 VanDerWaalsContact CG2-CD1 3.48Å; I72-Y85 HydrophobicContact CD1-CD1 3.98Å; I72-Y85 HydrophobicContact CD1-CD2 3.86Å; I72-Y85 HydrophobicContact CD1-CG 3.58Å; I72-Y85 HydrophobicContact CG1-CG 4.44Å
73G95.5Very high92.7Very high2 Ų241.2 Ų41.22%0.02123%0.227CC..  trans-55.813517700000112.6G54 F78 W82G54-G73 PolarHBondContact O-N 3.11Å; G73-F78 WeakPolarHBondContact O-CB 3.37Å; G73-W82 PolarHBondContact O-NE1 2.91Å; G73-W82 VanDerWaalsContact O-NE1 3.1Å
74G96.1Very high93.8Very high6 Ų646.2 Ų46.26%0.06223%0.225CC..  trans-94-2.2-179.500000115.4G27 Q29 I72 R79G27-G74 VanDerWaalsContact O-CA 3.23Å; G27-G74 WeakPolarHBondContact O-CA 3.44Å; Q29-G74 PolarHBondContact N-O 2.95Å; I72-G74 PolarHBondContact O-N 3.1Å; G74-R79 PolarHBondContact O-NE 3.19Å; G74-R79 PolarHBondContact O-NH2 2.98Å; G74-R79 VanDerWaalsContact O-NH2 3.07Å
75Q95.5Very high94.8Very high31 Ų3143.1 Ų43.115%0.14521%0.207CC..SBendtrans-65.5145.4173.5-76.6167.546.700110.1Q29 P51 R77 F78Q29-Q75 HydrophobicContact CB-CG 4.44Å; P51-Q75 VanDerWaalsContact CB-NE2 3.34Å; Q75-R77 HydrophobicContact CB-CG 4.2Å; Q75-R77 PolarHBondContact O-N 3.4Å; Q75-R77 VanDerWaalsContact O-N 3.08Å; Q75-R77 VanDerWaalsContact OE1-CZ 3.26Å; Q75-F78 HydrophobicContact CB-CD2 3.87Å; Q75-F78 HydrophobicContact CB-CE2 4.25Å; Q75-F78 PolarHBondContact O-N 2.88Å
76P96Very high95.9Very high91 Ų9141.5 Ų41.559%0.59120%0.197SC*.Hα-helixtrans-47.4-42.9-178.5-30.935.9000114.4F78 R79P76-F78 PolarHBondContact O-N 2.93Å; P76-R79 PolarHBondContact O-N 3.37Å
77R95.5Very high96.3Very high164 Ų16447 Ų4762%0.61922%0.216SC*.Hα-helixtrans-60.4-17.2179.163.9175.4169.2175-0.9115.6Q75Q75-R77 HydrophobicContact CB-CG 4.2Å; Q75-R77 PolarHBondContact O-N 3.4Å; Q75-R77 VanDerWaalsContact O-N 3.08Å; Q75-R77 VanDerWaalsContact OE1-CZ 3.26Å
78F96Very high96.4Very high23 Ų2349 Ų4910%0.10124%0.241CC..Hα-helixtrans-106.7-10.6-178.4-58.9-47.7000113.5V53 G54 G73 Q75 P76 S80 M81V53-F78 HydrophobicContact CB-CZ 4.41Å; V53-F78 HydrophobicContact CG1-CZ 3.93Å; G54-F78 VanDerWaalsContact N-CZ 3.27Å; G73-F78 WeakPolarHBondContact O-CB 3.37Å; Q75-F78 HydrophobicContact CB-CD2 3.87Å; Q75-F78 HydrophobicContact CB-CE2 4.25Å; Q75-F78 PolarHBondContact O-N 2.88Å; P76-F78 PolarHBondContact O-N 2.93Å; F78-S80 VanDerWaalsContact C-N 3.29Å; F78-S80 PolarHBondContact O-N 2.86Å; F78-M81 HydrophobicContact CB-CE 3.69Å; F78-M81 HydrophobicContact CD1-CE 3.56Å; F78-M81 HydrophobicContact CG-CE 3.98Å; F78-M81 WeakPolarHBondContact O-CB 3.42Å; F78-M81 PolarHBondContact O-N 3.3Å
79R97.1Very high96.5Very high43 Ų4347.5 Ų47.516%0.16224%0.235CC..Hα-helixtrans-67.3-29.3-174.3-57-171-172.7156.32.3113.6L28 G74 P76 M81 W82 E110L28-R79 VanDerWaalsContact CD2-CZ 3.44Å; G74-R79 PolarHBondContact O-NE 3.19Å; G74-R79 PolarHBondContact O-NH2 2.98Å; G74-R79 VanDerWaalsContact O-NH2 3.07Å; P76-R79 PolarHBondContact O-N 3.37Å; R79-M81 PolarHBondContact O-N 3.04Å; R79-M81 VanDerWaalsContact O-N 3.11Å; R79-W82 HydrophobicContact CB-CD2 4.18Å; R79-W82 HydrophobicContact CB-CZ2 4.22Å; R79-W82 HydrophobicContact CG-CD2 4.45Å; R79-W82 HydrophobicContact CG-CH2 4.07Å; R79-W82 HydrophobicContact CG-CZ2 3.59Å; R79-W82 VanDerWaalsContact O-CB 3.31Å; R79-W82 WeakPolarHBondContact O-CB 3.46Å; R79-W82 VanDerWaalsContact O-CG 3.26Å; R79-W82 PolarHBondContact O-N 3.17Å; R79-E110 WeakPolarHBondContact CD-OE1 3.32Å; R79-E110 IonicContact CZ-OE1 3.85Å; R79-E110 IonicContact NE-OE1 2.71Å; R79-E110 IonicContact NH1-OE1 3.4Å; R79-E110 PolarHBondContact NH1-OE1 3.47Å
80S95Very high96.4Very high102 Ų10248.3 Ų48.371%0.71324%0.239SC*.THydrogen-bonded Turntrans-60.4-20172.857.90000113.5F78F78-S80 VanDerWaalsContact C-N 3.29Å; F78-S80 PolarHBondContact O-N 2.86Å
81M95.1Very high96.4Very high48 Ų4846 Ų4624%0.23623%0.23CC..THydrogen-bonded Turntrans-84.8-17.2177-59.9-173.6-6100113.2F78 R79 E83 R84 Y85F78-M81 HydrophobicContact CB-CE 3.69Å; F78-M81 HydrophobicContact CD1-CE 3.56Å; F78-M81 HydrophobicContact CG-CE 3.98Å; F78-M81 WeakPolarHBondContact O-CB 3.42Å; F78-M81 PolarHBondContact O-N 3.3Å; R79-M81 PolarHBondContact O-N 3.04Å; R79-M81 VanDerWaalsContact O-N 3.11Å; M81-E83 VanDerWaalsContact C-N 3.31Å; M81-E83 PolarHBondContact O-N 3.04Å; M81-R84 WeakPolarHBondContact O-CB 3.31Å; M81-R84 PolarHBondContact O-N 3.09Å; M81-Y85 HydrophobicContact CB-CD2 4.21Å; M81-Y85 HydrophobicContact CB-CE2 4.17Å; M81-Y85 WeakPolarHBondContact O-CD2 3.48Å; M81-Y85 PolarHBondContact O-N 3.41Å
82W98.2Very high96.5Very high3 Ų345.9 Ų45.91%0.01123%0.23CC..Hα-helixtrans-53.5-48.1-173.5-69.52.5000112V26 G27 I72 G73 R79 R84 Y85 C86 Y94 E110 L114V26-W82 HydrophobicContact CB-CD2 3.9Å; V26-W82 HydrophobicContact CB-CE3 4.15Å; V26-W82 HydrophobicContact CB-CG 4.17Å; V26-W82 HydrophobicContact CG1-CB 3.85Å; V26-W82 HydrophobicContact CG1-CD2 3.83Å; V26-W82 HydrophobicContact CG1-CE3 4.45Å; V26-W82 HydrophobicContact CG1-CG 3.54Å; G27-W82 VanDerWaalsContact O-CZ2 3.31Å; G27-W82 WeakPolarHBondContact O-CZ2 3.34Å; I72-W82 VanDerWaalsContact CG2-CD1 3.48Å; G73-W82 PolarHBondContact O-NE1 2.91Å; G73-W82 VanDerWaalsContact O-NE1 3.1Å; R79-W82 HydrophobicContact CB-CD2 4.18Å; R79-W82 HydrophobicContact CB-CZ2 4.22Å; R79-W82 HydrophobicContact CG-CD2 4.45Å; R79-W82 HydrophobicContact CG-CH2 4.07Å; R79-W82 HydrophobicContact CG-CZ2 3.59Å; R79-W82 VanDerWaalsContact O-CB 3.31Å; R79-W82 WeakPolarHBondContact O-CB 3.46Å; R79-W82 VanDerWaalsContact O-CG 3.26Å; R79-W82 PolarHBondContact O-N 3.17Å; W82-R84 VanDerWaalsContact C-N 3.3Å; W82-R84 PolarHBondContact O-N 3.2Å; W82-Y85 PolarHBondContact O-N 2.86Å; W82-Y85 VanDerWaalsContact O-N 3.15Å; W82-C86 WeakPolarHBondContact O-CB 3.44Å; W82-C86 PolarHBondContact O-N 2.92Å; W82-C86 PolarHBondContact O-SG 2.94Å; W82-Y94 HydrophobicContact CH2-CE2 4.33Å; W82-Y94 AromaticContact CZ3-CE2 3.9Å; W82-Y94 HydrophobicContact CZ3-CE2 3.9Å; W82-E110 HydrophobicContact CH2-CB 4.17Å; W82-E110 HydrophobicContact CZ3-CB 3.84Å; W82-L114 HydrophobicContact CB-CD1 3.81Å; W82-L114 HydrophobicContact CE3-CD2 4.15Å
83E97.9Very high96.6Very high40 Ų4045.9 Ų45.919%0.18723%0.23CC..Hα-helixtrans-54.3-46178.3-174.3-166.2140.700112.1M81 Y85 C86 R87 L114 K117 Q119M81-E83 VanDerWaalsContact C-N 3.31Å; M81-E83 PolarHBondContact O-N 3.04Å; E83-Y85 VanDerWaalsContact C-N 3.29Å; E83-Y85 PolarHBondContact O-N 3.19Å; E83-C86 PolarHBondContact O-N 2.83Å; E83-R87 WeakPolarHBondContact O-CG 3.45Å; E83-R87 PolarHBondContact O-N 3.14Å; E83-R87 IonicContact OE1-CZ 2.66Å; E83-R87 IonicContact OE1-NE 3.57Å; E83-R87 IonicContact OE1-NH2 3.94Å; E83-R87 PolarHBondContact OE1-NH2 2.8Å; E83-L114 HydrophobicContact CB-CD1 4.43Å; E83-K117 HydrophobicContact CB-CG 4.34Å; E83-K117 HydrophobicContact CG-CB 3.99Å; E83-K117 HydrophobicContact CG-CG 3.86Å; E83-K117 WeakPolarHBondContact OE2-CD 3.16Å; E83-Q119 PolarHBondContact OE1-OE1 3.34Å; E83-Q119 VanDerWaalsContact OE1-OE1 3.12Å
84R97.3Very high96.7Very high172 Ų17245.8 Ų45.865%0.64923%0.229SC*.Hα-helixtrans-58.4-41.7-178.6177.1-176.2172.9-178.1-1.1111.9M81 W82M81-R84 WeakPolarHBondContact O-CB 3.31Å; M81-R84 PolarHBondContact O-N 3.09Å; W82-R84 VanDerWaalsContact C-N 3.3Å; W82-R84 PolarHBondContact O-N 3.2Å
85Y97.6Very high96.9Very high25 Ų2545.5 Ų45.510%0.09823%0.226CC..Hα-helixtrans-87.6-16.6-176.6-70.4-86.6000113.2T24 F55 W70 I72 M81 W82 E83 V89T24-Y85 PolarHBondContact OG1-O 2.85Å; F55-Y85 HydrophobicContact CD1-CE1 4.36Å; F55-Y85 HydrophobicContact CD1-CE2 4.22Å; F55-Y85 AromaticContact CD1-CZ 3.67Å; F55-Y85 WeakPolarHBondContact CD1-OH 3.46Å; F55-Y85 HydrophobicContact CD2-CE1 4.01Å; F55-Y85 AromaticContact CE1-CZ 3.92Å; F55-Y85 WeakPolarHBondContact CE1-OH 3.39Å; F55-Y85 HydrophobicContact CE2-CE1 4.28Å; F55-Y85 HydrophobicContact CG-CE1 4.06Å; F55-Y85 HydrophobicContact CG-CE2 4.44Å; F55-Y85 AromaticContact CG-CZ 3.81Å; F55-Y85 WeakPolarHBondContact CZ-OH 3.34Å; W70-Y85 AromaticContact CD2-CD1 3.87Å; W70-Y85 HydrophobicContact CD2-CD1 3.87Å; W70-Y85 HydrophobicContact CD2-CE1 4.32Å; W70-Y85 AromaticContact CE3-CD1 3.81Å; W70-Y85 HydrophobicContact CE3-CD1 3.81Å; W70-Y85 AromaticContact CE3-CE1 3.84Å; W70-Y85 HydrophobicContact CE3-CE1 3.84Å; W70-Y85 HydrophobicContact CG-CD1 4.22Å; W70-Y85 HydrophobicContact CH2-CE1 4.41Å; W70-Y85 HydrophobicContact CZ3-CD1 4.28Å; W70-Y85 AromaticContact CZ3-CE1 3.89Å; W70-Y85 HydrophobicContact CZ3-CE1 3.89Å; I72-Y85 HydrophobicContact CD1-CD1 3.98Å; I72-Y85 HydrophobicContact CD1-CD2 3.86Å; I72-Y85 HydrophobicContact CD1-CG 3.58Å; I72-Y85 HydrophobicContact CG1-CG 4.44Å; M81-Y85 HydrophobicContact CB-CD2 4.21Å; M81-Y85 HydrophobicContact CB-CE2 4.17Å; M81-Y85 WeakPolarHBondContact O-CD2 3.48Å; M81-Y85 PolarHBondContact O-N 3.41Å; W82-Y85 PolarHBondContact O-N 2.86Å; W82-Y85 VanDerWaalsContact O-N 3.15Å; E83-Y85 VanDerWaalsContact C-N 3.29Å; E83-Y85 PolarHBondContact O-N 3.19Å; Y85-V89 WeakPolarHBondContact O-CG1 3.34Å
86C98.5Very high97Very high0 Ų044.2 Ų44.20%022%0.22CC..Hα-helixtrans-81.9-12.3173.4-70.10000113.3T24 W82 E83 G88 V89 I92 L120 I123T24-C86 VanDerWaalsContact CG2-SG 3.57Å; W82-C86 WeakPolarHBondContact O-CB 3.44Å; W82-C86 PolarHBondContact O-N 2.92Å; W82-C86 PolarHBondContact O-SG 2.94Å; E83-C86 PolarHBondContact O-N 2.83Å; C86-G88 PolarHBondContact O-N 2.86Å; C86-V89 VanDerWaalsContact O-CG2 3.29Å; C86-V89 WeakPolarHBondContact O-CG2 3.46Å; C86-I92 HydrophobicContact CB-CD1 3.75Å; C86-I92 HydrophobicContact CB-CG1 3.98Å; C86-L120 HydrophobicContact CB-CD1 3.71Å; C86-L120 HydrophobicContact CB-CD2 3.59Å; C86-L120 HydrophobicContact CB-CG 4.33Å; C86-I123 VanDerWaalsContact O-CD1 3.24Å; C86-I123 WeakPolarHBondContact O-CD1 3.44Å
87R96.6Very high97.2Very high130 Ų13040.9 Ų40.949%0.49120%0.197SC..THydrogen-bonded Turntrans-67.1129.3-179.4-73.4167.7-171.4-177.91.7111.6E83 V89 Q119 L120E83-R87 WeakPolarHBondContact O-CG 3.45Å; E83-R87 PolarHBondContact O-N 3.14Å; E83-R87 IonicContact OE1-CZ 2.66Å; E83-R87 IonicContact OE1-NE 3.57Å; E83-R87 IonicContact OE1-NH2 3.94Å; E83-R87 PolarHBondContact OE1-NH2 2.8Å; R87-V89 PolarHBondContact O-N 3.41Å; R87-Q119 HydrophobicContact CG-CB 4.12Å; R87-L120 HydrophobicContact CG-CD2 3.94Å
88G92.5Very high97.3Very high58 Ų5833.1 Ų33.160%0.59817%0.168SC*.THydrogen-bonded Turntrans75.21.2170.900000115.8C86C86-G88 PolarHBondContact O-N 2.86Å
89V96.3Very high97.4Very high8 Ų833.2 Ų33.25%0.04817%0.173CC..  trans-67.7159175.7-53.40000111.3E22 T24 Y85 C86 R87 A91 I92 I123E22-V89 HydrophobicContact CG-CG1 4.24Å; E22-V89 WeakPolarHBondContact O-CB 3.2Å; T24-V89 WeakPolarHBondContact OG1-CG1 3.44Å; Y85-V89 WeakPolarHBondContact O-CG1 3.34Å; C86-V89 VanDerWaalsContact O-CG2 3.29Å; C86-V89 WeakPolarHBondContact O-CG2 3.46Å; R87-V89 PolarHBondContact O-N 3.41Å; V89-A91 WeakPolarHBondContact CG2-O 3.31Å; V89-I92 HydrophobicContact CG2-CG1 3.91Å; V89-I123 HydrophobicContact CG2-CG2 3.78Å
90N95.7Very high97.4Very high18 Ų1833.6 Ų33.610%0.09618%0.179CC..SBendtrans-70-40.1173.8-69.284.1000112M21 E22 P124 H180 K182M21-N90 HydrophobicContact CG-CB 3.98Å; E22-N90 PolarHBondContact N-OD1 2.89Å; E22-N90 WeakPolarHBondContact O-CB 3.23Å; E22-N90 PolarHBondContact O-N 3.05Å; N90-P124 WeakPolarHBondContact O-CD 3.27Å; N90-H180 PolarHBondContact ND2-O 3.29Å; N90-K182 WeakPolarHBondContact ND2-CG 3.46Å; N90-K182 PolarHBondContact ND2-N 2.79Å
91A98.1Very high97.6Very high0 Ų033.2 Ų33.20%017%0.165CC..EExtended strand (participates in β ladder)trans-154.1149.7175.500000111.2L23 T24 V89 P124 W176 L177L23-A91 HydrophobicContact CD2-CB 3.9Å; T24-A91 PolarHBondContact N-O 3.29Å; V89-A91 WeakPolarHBondContact CG2-O 3.31Å; A91-P124 WeakPolarHBondContact CA-O 3.38Å; A91-P124 HydrophobicContact CB-CB 4.35Å; A91-W176 HydrophobicContact CB-CH2 4.21Å; A91-W176 HydrophobicContact CB-CZ3 3.86Å; A91-L177 HydrophobicContact CB-CD2 4.48Å
92I98.8Very high97.7Very high0 Ų039 Ų390%019%0.192CC..EExtended strand (participates in β ladder)trans-94.9127.8169.9-60.4168.2000107.6V26 C86 V89 L115 L120 I123 P124 V125 L126V26-I92 HydrophobicContact CG2-CG2 3.56Å; C86-I92 HydrophobicContact CB-CD1 3.75Å; C86-I92 HydrophobicContact CB-CG1 3.98Å; V89-I92 HydrophobicContact CG2-CG1 3.91Å; I92-L115 HydrophobicContact CD1-CD2 4.36Å; I92-L120 HydrophobicContact CD1-CD1 4.15Å; I92-I123 HydrophobicContact CD1-CB 4.39Å; I92-I123 HydrophobicContact CD1-CG2 4.06Å; I92-I123 HydrophobicContact CG1-CG2 3.86Å; I92-P124 PolarHBondContact N-O 2.85Å; I92-V125 HydrophobicContact CB-CG2 4.4Å; I92-V125 CarbonylContact O-C 3.53Å; I92-V125 WeakPolarHBondContact O-CA 3.43Å; I92-L126 PolarHBondContact O-N 2.96Å
93I98.9Very high97.7Very high0 Ų043.8 Ų43.80%021%0.213CC..EExtended strand (participates in β ladder)trans-97.7115.2169-62.1176.2000107.8L23 T24 L25 V26 F36 L126 L128 L177L23-I93 HydrophobicContact CD1-CD1 4Å; T24-I93 PolarHBondContact O-N 3.35Å; L25-I93 WeakPolarHBondContact CA-O 3.41Å; L25-I93 HydrophobicContact CD2-CB 4.38Å; L25-I93 HydrophobicContact CD2-CD1 4.3Å; L25-I93 HydrophobicContact CD2-CG2 4.16Å; L25-I93 HydrophobicContact CG-CB 4.06Å; L25-I93 HydrophobicContact CG-CD1 4.25Å; L25-I93 HydrophobicContact CG-CG2 4.36Å; V26-I93 PolarHBondContact N-O 3.39Å; F36-I93 HydrophobicContact CE1-CD1 3.93Å; F36-I93 HydrophobicContact CZ-CD1 4.46Å; I93-L126 CarbonylContact C-O 3.45Å; I93-L126 WeakPolarHBondContact CA-O 3.48Å; I93-L126 HydrophobicContact CG1-CB 4.5Å; I93-L128 HydrophobicContact CG2-CD1 3.54Å; I93-L128 HydrophobicContact CG2-CG 4.04Å; I93-L177 HydrophobicContact CD1-CD1 3.95Å; I93-L177 HydrophobicContact CD1-CD2 3.93Å; I93-L177 HydrophobicContact CG1-CD2 4.08Å
94Y98.9Very high97.7Very high0 Ų042.9 Ų42.90%021%0.209CC..EExtended strand (participates in β ladder)trans-100107.1174.2-164.4-96.8000110.3V26 W82 V96 S107 L111 L126 V127 L128V26-Y94 HydrophobicContact CG2-CD2 3.85Å; V26-Y94 WeakPolarHBondContact O-CA 3.25Å; W82-Y94 HydrophobicContact CH2-CE2 4.33Å; W82-Y94 AromaticContact CZ3-CE2 3.9Å; W82-Y94 HydrophobicContact CZ3-CE2 3.9Å; Y94-V96 HydrophobicContact CD1-CG2 3.62Å; Y94-V96 HydrophobicContact CE1-CG2 3.64Å; Y94-S107 WeakPolarHBondContact CE1-OG 3.43Å; Y94-S107 PolarHBondContact OH-O 2.98Å; Y94-S107 PolarHBondContact OH-OG 3.15Å; Y94-L111 HydrophobicContact CD1-CB 4.18Å; Y94-L111 HydrophobicContact CD1-CD1 3.98Å; Y94-L111 HydrophobicContact CD1-CD2 4.17Å; Y94-L111 HydrophobicContact CD1-CG 4.34Å; Y94-L111 HydrophobicContact CD2-CB 4.36Å; Y94-L111 HydrophobicContact CD2-CD1 3.7Å; Y94-L111 HydrophobicContact CE1-CB 3.74Å; Y94-L111 HydrophobicContact CE1-CD1 4.39Å; Y94-L111 HydrophobicContact CE1-CD2 4.38Å; Y94-L111 HydrophobicContact CE1-CG 4.39Å; Y94-L111 HydrophobicContact CE2-CB 3.99Å; Y94-L111 HydrophobicContact CE2-CD1 4.18Å; Y94-L111 HydrophobicContact CG-CB 4.47Å; Y94-L111 HydrophobicContact CG-CD1 3.62Å; Y94-L111 HydrophobicContact CG-CG 4.45Å; Y94-L111 PolarHBondContact OH-N 2.98Å; Y94-L126 PolarHBondContact N-O 3.47Å; Y94-V127 WeakPolarHBondContact O-CA 3.49Å; Y94-L128 PolarHBondContact O-N 2.96Å
95M98.8Very high97.7Very high0 Ų040.6 Ų40.60%021%0.206CC..EExtended strand (participates in β ladder)trans-93123.4-175-171.969.472.500111.2V26 S31 K33 F36 L128 N130 I162V26-M95 PolarHBondContact O-N 3.18Å; S31-M95 WeakPolarHBondContact CB-O 3.41Å; S31-M95 WeakPolarHBondContact O-CG 3.45Å; S31-M95 WeakPolarHBondContact OG-CB 3.4Å; S31-M95 WeakPolarHBondContact OG-CG 3.31Å; S31-M95 PolarHBondContact OG-O 2.8Å; K33-M95 HydrophobicContact CG-CB 3.59Å; K33-M95 HydrophobicContact CG-CG 4.11Å; F36-M95 HydrophobicContact CB-CE 3.56Å; F36-M95 HydrophobicContact CD2-CE 4.02Å; F36-M95 HydrophobicContact CG-CE 3.78Å; M95-L128 HydrophobicContact CE-CB 4.11Å; M95-L128 HydrophobicContact CE-CD1 3.89Å; M95-L128 HydrophobicContact SD-CB 3.71Å; M95-N130 HydrophobicContact CG-CB 4.41Å; M95-N130 HydrophobicContact SD-CB 3.43Å; M95-N130 WeakPolarHBondContact SD-CB 3.4Å; M95-I162 HydrophobicContact CE-CD1 4.34Å; M95-I162 HydrophobicContact SD-CD1 4.48Å
96V98.8Very high97.8Very high4 Ų441.3 Ų41.32%0.02422%0.217CC..EExtended strand (participates in β ladder)trans-117.8139.8178.3-1750000109.1Y94 A98 L104 V127 L128 N130 L143 L147Y94-V96 HydrophobicContact CD1-CG2 3.62Å; Y94-V96 HydrophobicContact CE1-CG2 3.64Å; V96-A98 PolarHBondContact O-N 2.99Å; V96-L104 HydrophobicContact CG1-CD2 3.85Å; V96-V127 HydrophobicContact CG2-CG1 4.28Å; V96-L128 PolarHBondContact N-O 3.32Å; V96-N130 PolarHBondContact O-N 2.92Å; V96-L143 HydrophobicContact CG1-CD2 4.32Å; V96-L147 HydrophobicContact CG2-CD1 3.84Å; V96-L147 HydrophobicContact CG2-CD2 4.39Å
97D98.5Very high97.8Very high21 Ų2141.4 Ų41.411%0.11222%0.218CC..EExtended strand (participates in β ladder)trans-77.6110.3166.2-173-21.9000108.1A99 D100 K131D97-A99 PolarHBondContact O-N 3.21Å; D97-A99 PolarHBondContact OD1-N 3.47Å; D97-D100 HydrophobicContact CB-CB 3.86Å; D97-D100 PolarHBondContact O-N 3.46Å; D97-D100 PolarHBondContact OD1-N 3.22Å; D97-K131 WeakPolarHBondContact OD2-CD 3.48Å; D97-K131 WeakPolarHBondContact OD2-CE 3.17Å; D97-K131 IonicContact OD2-NZ 2.64Å; D97-K131 PolarHBondContact OD2-NZ 3.41Å
98A98.7Very high97.9Very high0 Ų039 Ų390%021%0.208CC..THydrogen-bonded Turntrans-71.1-17.9-177.300000112.7V96 N130 A137 L138 L143V96-A98 PolarHBondContact O-N 2.99Å; A98-N130 VanDerWaalsContact CB-O 3.29Å; A98-N130 WeakPolarHBondContact CB-O 3.43Å; A98-N130 PolarHBondContact N-O 3.35Å; A98-A137 HydrophobicContact CB-CB 4.15Å; A98-A137 WeakPolarHBondContact O-CA 3.49Å; A98-L138 PolarHBondContact O-N 2.89Å; A98-L143 HydrophobicContact CB-CD1 4.35Å; A98-L143 HydrophobicContact CB-CD2 4.47Å
99A98.3Very high98.2Very high26 Ų2640.1 Ų40.122%0.21520%0.201CC..THydrogen-bonded Turntrans-96.1-12.5179.800000113.2D97 H101 L134 A137D97-A99 PolarHBondContact O-N 3.21Å; D97-A99 PolarHBondContact OD1-N 3.47Å; A99-H101 PolarHBondContact O-N 3.27Å; A99-L134 HydrophobicContact CB-CB 3.8Å; A99-L134 HydrophobicContact CB-CD1 3.91Å; A99-L134 HydrophobicContact CB-CG 4.49Å; A99-A137 HydrophobicContact CB-CB 4.36Å
100D97.8Very high98.3Very high51 Ų5142.3 Ų42.327%0.27321%0.211SC..  trans-95.483.5179-170.4-12.9000111.6D97 E102 K103D97-D100 HydrophobicContact CB-CB 3.86Å; D97-D100 PolarHBondContact O-N 3.46Å; D97-D100 PolarHBondContact OD1-N 3.22Å; D100-E102 VanDerWaalsContact C-N 3.27Å; D100-E102 PolarHBondContact O-N 2.83Å; D100-E102 PolarHBondContact OD1-N 3.46Å; D100-K103 VanDerWaalsContact CG-CG 3.44Å; D100-K103 PolarHBondContact O-N 2.95Å; D100-K103 WeakPolarHBondContact OD1-CG 3.32Å; D100-K103 PolarHBondContact OD1-N 3.34Å; D100-K103 WeakPolarHBondContact OD2-CG 3.3Å
101H98Very high98.5Very high93 Ų9341.5 Ų41.543%0.43121%0.206SC..G310 helixtrans-66.8-30.5-176.2-65.5-160.7000112.4A99 K103 L104 N136A99-H101 PolarHBondContact O-N 3.27Å; H101-K103 PolarHBondContact O-N 3.33Å; H101-L104 HydrophobicContact CB-CD1 4.29Å; H101-L104 PolarHBondContact O-N 3.22Å; H101-N136 PolarHBondContact NE2-O 3.34Å
102E97.8Very high98.5Very high170 Ų17043.3 Ų43.379%0.79422%0.215SC*.G310 helixtrans-65.7-25.2-179.8-61.2-173.4172.900112.4D100D100-E102 VanDerWaalsContact C-N 3.27Å; D100-E102 PolarHBondContact O-N 2.83Å; D100-E102 PolarHBondContact OD1-N 3.46Å
103K97.5Very high98.5Very high104 Ų10445.4 Ų45.445%0.45223%0.232SC..G310 helixtrans-96.6-5-179.1-61.4-57.4178.7-153.90114.2L28 D100 H101 E105 A106 S107L28-K103 HydrophobicContact CD1-CB 3.83Å; D100-K103 VanDerWaalsContact CG-CG 3.44Å; D100-K103 PolarHBondContact O-N 2.95Å; D100-K103 WeakPolarHBondContact OD1-CG 3.32Å; D100-K103 PolarHBondContact OD1-N 3.34Å; D100-K103 WeakPolarHBondContact OD2-CG 3.3Å; H101-K103 PolarHBondContact O-N 3.33Å; K103-E105 VanDerWaalsContact C-N 3.35Å; K103-E105 PolarHBondContact O-N 3.36Å; K103-A106 PolarHBondContact O-N 2.9Å; K103-S107 VanDerWaalsContact O-CB 3.28Å; K103-S107 WeakPolarHBondContact O-CB 3.48Å; K103-S107 PolarHBondContact O-N 3.1Å
104L98Very high98.5Very high20 Ų2045.8 Ų45.811%0.10523%0.234CC..Hα-helixtrans-60.3-42.3-176.9-73.4170.2000112.8V96 H101 S107 R108 L138 L143 A146V96-L104 HydrophobicContact CG1-CD2 3.85Å; H101-L104 HydrophobicContact CB-CD1 4.29Å; H101-L104 PolarHBondContact O-N 3.22Å; L104-S107 WeakPolarHBondContact O-CB 3.45Å; L104-S107 PolarHBondContact O-N 3.25Å; L104-R108 WeakPolarHBondContact O-CB 3.37Å; L104-R108 PolarHBondContact O-N 2.6Å; L104-L138 HydrophobicContact CD1-CD1 3.35Å; L104-L138 HydrophobicContact CD1-CG 4.45Å; L104-L138 HydrophobicContact CD2-CD1 4.2Å; L104-L138 HydrophobicContact CG-CD1 4.42Å; L104-L143 HydrophobicContact CD2-CD2 4.23Å; L104-A146 HydrophobicContact CD1-CB 4.34Å
105E98.5Very high98.5Very high124 Ų12446.1 Ų46.158%0.57924%0.235SC*.Hα-helixtrans-63.8-47178.2177.1166.9-146.300111.8K103 S107 R108 N109K103-E105 VanDerWaalsContact C-N 3.35Å; K103-E105 PolarHBondContact O-N 3.36Å; E105-S107 VanDerWaalsContact C-N 3.26Å; E105-S107 PolarHBondContact O-N 3.08Å; E105-R108 WeakPolarHBondContact O-CB 3.32Å; E105-R108 PolarHBondContact O-N 3.06Å; E105-R108 IonicContact OE1-NH2 3.62Å; E105-R108 PolarHBondContact OE1-NH2 3.31Å; E105-N109 PolarHBondContact O-N 2.94Å; E105-N109 PolarHBondContact O-ND2 3.35Å; E105-N109 PolarHBondContact O-OD1 2.92Å
106A98.5Very high98.4Very high40 Ų4052 Ų5233%0.33127%0.267SS..Hα-helixtrans-61.4-38.7175.700000111.2L28 K103 N109 E110L28-A106 HydrophobicContact CD1-CB 4.16Å; K103-A106 PolarHBondContact O-N 2.9Å; A106-N109 PolarHBondContact O-N 3.44Å; A106-E110 WeakPolarHBondContact O-CB 3.34Å; A106-E110 WeakPolarHBondContact O-CG 3.34Å; A106-E110 PolarHBondContact O-N 3.43Å
107S98.7Very high98.4Very high3 Ų355.7 Ų55.72%0.02128%0.283CS..Hα-helixtrans-65.6-43.5178-166.20000111.5Y94 K103 L104 E105 L111Y94-S107 WeakPolarHBondContact CE1-OG 3.43Å; Y94-S107 PolarHBondContact OH-O 2.98Å; Y94-S107 PolarHBondContact OH-OG 3.15Å; K103-S107 VanDerWaalsContact O-CB 3.28Å; K103-S107 WeakPolarHBondContact O-CB 3.48Å; K103-S107 PolarHBondContact O-N 3.1Å; L104-S107 WeakPolarHBondContact O-CB 3.45Å; L104-S107 PolarHBondContact O-N 3.25Å; E105-S107 VanDerWaalsContact C-N 3.26Å; E105-S107 PolarHBondContact O-N 3.08Å; S107-L111 WeakPolarHBondContact O-CB 2.98Å; S107-L111 PolarHBondContact O-N 2.82Å
108R98.9Very high98.3Very high79 Ų7959.2 Ų59.230%0.29831%0.307SS..Hα-helixtrans-58.3-52.4173.2179.4-170.970-161.8-1.5110.6L104 E105 E110 L111 H112 A146 L147L104-R108 WeakPolarHBondContact O-CB 3.37Å; L104-R108 PolarHBondContact O-N 2.6Å; E105-R108 WeakPolarHBondContact O-CB 3.32Å; E105-R108 PolarHBondContact O-N 3.06Å; E105-R108 IonicContact OE1-NH2 3.62Å; E105-R108 PolarHBondContact OE1-NH2 3.31Å; R108-E110 VanDerWaalsContact C-N 3.28Å; R108-E110 PolarHBondContact O-N 2.72Å; R108-L111 WeakPolarHBondContact O-CB 3.28Å; R108-L111 PolarHBondContact O-N 3.35Å; R108-L111 VanDerWaalsContact O-N 3.15Å; R108-H112 PolarHBondContact O-CD2 2.98Å; R108-H112 VanDerWaalsContact O-CD2 3.25Å; R108-H112 PolarHBondContact O-N 3.15Å; R108-A146 WeakPolarHBondContact CD-O 3.48Å; R108-L147 HydrophobicContact CB-CD2 4.15Å
109N98.8Very high98.2Very high81 Ų8164.1 Ų64.143%0.43333%0.33SS..Hα-helixtrans-61.1-40-175.1-63.9-10.7000111.6E105 A106 A113E105-N109 PolarHBondContact O-N 2.94Å; E105-N109 PolarHBondContact O-ND2 3.35Å; E105-N109 PolarHBondContact O-OD1 2.92Å; A106-N109 PolarHBondContact O-N 3.44Å; N109-A113 WeakPolarHBondContact O-CB 3.33Å; N109-A113 PolarHBondContact O-N 2.71Å
110E98.7Very high98.2Very high55 Ų5562.9 Ų62.926%0.25732%0.32SS..Hα-helixtrans-70.4-35.7176.6-67.2-76.4-173.300113L28 R79 W82 A106 R108 L114L28-E110 HydrophobicContact CD2-CB 4.37Å; L28-E110 HydrophobicContact CD2-CG 3.99Å; R79-E110 WeakPolarHBondContact CD-OE1 3.32Å; R79-E110 IonicContact CZ-OE1 3.85Å; R79-E110 IonicContact NE-OE1 2.71Å; R79-E110 IonicContact NH1-OE1 3.4Å; R79-E110 PolarHBondContact NH1-OE1 3.47Å; W82-E110 HydrophobicContact CH2-CB 4.17Å; W82-E110 HydrophobicContact CZ3-CB 3.84Å; A106-E110 WeakPolarHBondContact O-CB 3.34Å; A106-E110 WeakPolarHBondContact O-CG 3.34Å; A106-E110 PolarHBondContact O-N 3.43Å; R108-E110 VanDerWaalsContact C-N 3.28Å; R108-E110 PolarHBondContact O-N 2.72Å; E110-L114 VanDerWaalsContact O-CB 3.31Å; E110-L114 WeakPolarHBondContact O-CB 3.5Å; E110-L114 PolarHBondContact O-N 3.07Å
111L98.9Very high98.2Very high1 Ų165.9 Ų65.91%0.00534%0.335CS..Hα-helixtrans-61-55.7172.9174.559.1000110.7Y94 S107 R108 A113 L114 L115 V127 L147 L149 I152Y94-L111 HydrophobicContact CD1-CB 4.18Å; Y94-L111 HydrophobicContact CD1-CD1 3.98Å; Y94-L111 HydrophobicContact CD1-CD2 4.17Å; Y94-L111 HydrophobicContact CD1-CG 4.34Å; Y94-L111 HydrophobicContact CD2-CB 4.36Å; Y94-L111 HydrophobicContact CD2-CD1 3.7Å; Y94-L111 HydrophobicContact CE1-CB 3.74Å; Y94-L111 HydrophobicContact CE1-CD1 4.39Å; Y94-L111 HydrophobicContact CE1-CD2 4.38Å; Y94-L111 HydrophobicContact CE1-CG 4.39Å; Y94-L111 HydrophobicContact CE2-CB 3.99Å; Y94-L111 HydrophobicContact CE2-CD1 4.18Å; Y94-L111 HydrophobicContact CG-CB 4.47Å; Y94-L111 HydrophobicContact CG-CD1 3.62Å; Y94-L111 HydrophobicContact CG-CG 4.45Å; Y94-L111 PolarHBondContact OH-N 2.98Å; S107-L111 WeakPolarHBondContact O-CB 2.98Å; S107-L111 PolarHBondContact O-N 2.82Å; R108-L111 WeakPolarHBondContact O-CB 3.28Å; R108-L111 PolarHBondContact O-N 3.35Å; R108-L111 VanDerWaalsContact O-N 3.15Å; L111-A113 PolarHBondContact O-N 3Å; L111-L114 WeakPolarHBondContact O-CB 3.25Å; L111-L114 PolarHBondContact O-N 3.2Å; L111-L115 HydrophobicContact CD1-CD1 3.63Å; L111-L115 HydrophobicContact CD1-CD2 4.49Å; L111-L115 HydrophobicContact CD1-CG 3.92Å; L111-L115 HydrophobicContact CG-CD1 4.1Å; L111-L115 WeakPolarHBondContact O-CG 3.21Å; L111-L115 PolarHBondContact O-N 3.35Å; L111-V127 HydrophobicContact CD2-CG2 4.42Å; L111-L147 HydrophobicContact CD2-CB 4.47Å; L111-L149 HydrophobicContact CD2-CD2 3.52Å; L111-I152 HydrophobicContact CD2-CD1 4.47Å
112H98.8Very high98.1Very high38 Ų3863.4 Ų63.418%0.17633%0.334CS..Hα-helixtrans-63.5-43-178.1-75.6-89.4000111.3R108 L114 L115 D116 L147 N148R108-H112 PolarHBondContact O-CD2 2.98Å; R108-H112 VanDerWaalsContact O-CD2 3.25Å; R108-H112 PolarHBondContact O-N 3.15Å; H112-L114 PolarHBondContact O-N 2.83Å; H112-L115 PolarHBondContact O-N 3Å; H112-L115 VanDerWaalsContact O-N 3.1Å; H112-D116 WeakPolarHBondContact O-CB 3.31Å; H112-D116 VanDerWaalsContact O-CG 3.26Å; H112-D116 PolarHBondContact O-N 3.42Å; H112-L147 PolarHBondContact NE2-O 3.42Å; H112-N148 PolarHBondContact CE1-O 3.28Å; H112-N148 PolarHBondContact NE2-O 3.18Å
113A98.6Very high98.2Very high44 Ų4456.2 Ų56.236%0.36430%0.301SS..Hα-helixtrans-61.5-30.6176.300000113.8N109 L111 K117N109-A113 WeakPolarHBondContact O-CB 3.33Å; N109-A113 PolarHBondContact O-N 2.71Å; L111-A113 PolarHBondContact O-N 3Å; A113-K117 WeakPolarHBondContact O-CE 3.47Å
114L98.7Very high98.2Very high8 Ų852.4 Ų52.44%0.04229%0.287CS..Hα-helixtrans-73.5-45.2172.4178.166.5000111.4V26 W82 E83 E110 L111 H112 D116 K117 L120V26-L114 HydrophobicContact CB-CD2 4.46Å; V26-L114 HydrophobicContact CG2-CD2 3.77Å; W82-L114 HydrophobicContact CB-CD1 3.81Å; W82-L114 HydrophobicContact CE3-CD2 4.15Å; E83-L114 HydrophobicContact CB-CD1 4.43Å; E110-L114 VanDerWaalsContact O-CB 3.31Å; E110-L114 WeakPolarHBondContact O-CB 3.5Å; E110-L114 PolarHBondContact O-N 3.07Å; L111-L114 WeakPolarHBondContact O-CB 3.25Å; L111-L114 PolarHBondContact O-N 3.2Å; H112-L114 PolarHBondContact O-N 2.83Å; L114-D116 VanDerWaalsContact C-N 3.31Å; L114-D116 PolarHBondContact O-N 2.73Å; L114-K117 VanDerWaalsContact O-CB 3.32Å; L114-K117 WeakPolarHBondContact O-CB 3.15Å; L114-K117 WeakPolarHBondContact O-CG 3.23Å; L114-K117 PolarHBondContact O-N 3.21Å; L114-L120 HydrophobicContact CD1-CD1 3.58Å; L114-L120 HydrophobicContact CG-CD1 3.91Å; L114-L120 WeakPolarHBondContact O-CD1 3.37Å
115L98.6Very high98.2Very high6 Ų651.4 Ų51.43%0.03128%0.282CS..Hα-helixtrans-73.9-23.3-175.4-61.4-175.8000113.3I92 L111 H112 K117 V125 I152 R155I92-L115 HydrophobicContact CD1-CD2 4.36Å; L111-L115 HydrophobicContact CD1-CD1 3.63Å; L111-L115 HydrophobicContact CD1-CD2 4.49Å; L111-L115 HydrophobicContact CD1-CG 3.92Å; L111-L115 HydrophobicContact CG-CD1 4.1Å; L111-L115 WeakPolarHBondContact O-CG 3.21Å; L111-L115 PolarHBondContact O-N 3.35Å; H112-L115 PolarHBondContact O-N 3Å; H112-L115 VanDerWaalsContact O-N 3.1Å; L115-K117 PolarHBondContact O-N 2.88Å; L115-K117 VanDerWaalsContact O-N 3.16Å; L115-V125 HydrophobicContact CD1-CG2 4.09Å; L115-V125 HydrophobicContact CD2-CG2 3.56Å; L115-V125 HydrophobicContact CG-CG2 4.49Å; L115-I152 HydrophobicContact CD1-CD1 3.49Å; L115-I152 VanDerWaalsContact CD1-CD1 3.49Å; L115-I152 HydrophobicContact CD1-CG1 4.13Å; L115-I152 HydrophobicContact CD1-CG2 4.26Å; L115-R155 PolarHBondContact O-NH2 3Å
116D97.5Very high98.3Very high125 Ų12545.5 Ų45.567%0.66826%0.255SS*.THydrogen-bonded Turntrans-65.4-9.4170.9-76.7-12.7000113.5H112 L114 P118H112-D116 WeakPolarHBondContact O-CB 3.31Å; H112-D116 VanDerWaalsContact O-CG 3.26Å; H112-D116 PolarHBondContact O-N 3.42Å; L114-D116 VanDerWaalsContact C-N 3.31Å; L114-D116 PolarHBondContact O-N 2.73Å; D116-P118 VanDerWaalsContact O-CD 3.28Å; D116-P118 WeakPolarHBondContact O-CD 3.49Å
117K97.9Very high98.3Very high80 Ų8043.6 Ų43.635%0.34824%0.239SC..  trans-71.5118.1178.6-59.1-54.6-178.1-161.60110.5E83 A113 L114 L115 Q119 L120E83-K117 HydrophobicContact CB-CG 4.34Å; E83-K117 HydrophobicContact CG-CB 3.99Å; E83-K117 HydrophobicContact CG-CG 3.86Å; E83-K117 WeakPolarHBondContact OE2-CD 3.16Å; A113-K117 WeakPolarHBondContact O-CE 3.47Å; L114-K117 VanDerWaalsContact O-CB 3.32Å; L114-K117 WeakPolarHBondContact O-CB 3.15Å; L114-K117 WeakPolarHBondContact O-CG 3.23Å; L114-K117 PolarHBondContact O-N 3.21Å; L115-K117 PolarHBondContact O-N 2.88Å; L115-K117 VanDerWaalsContact O-N 3.16Å; K117-Q119 PolarHBondContact O-N 3.18Å; K117-L120 HydrophobicContact CB-CD1 4.19Å; K117-L120 HydrophobicContact CB-CG 4.04Å; K117-L120 PolarHBondContact O-N 2.89Å
118P96.6Very high98.3Very high96 Ų9643.5 Ų43.562%0.62324%0.238SC*.G310 helixtrans-58.3-28.5-176.1-26.435.2000114D116 L120 L121D116-P118 VanDerWaalsContact O-CD 3.28Å; D116-P118 WeakPolarHBondContact O-CD 3.49Å; P118-L120 PolarHBondContact O-N 3.43Å; P118-L121 WeakPolarHBondContact O-CB 3.44Å; P118-L121 PolarHBondContact O-N 2.9Å
119Q96.7Very high98.3Very high103 Ų10339.7 Ų39.748%0.48122%0.224SC..G310 helixtrans-71.1-13179-58.875.522.600113.1E83 R87 K117E83-Q119 PolarHBondContact OE1-OE1 3.34Å; E83-Q119 VanDerWaalsContact OE1-OE1 3.12Å; R87-Q119 HydrophobicContact CG-CB 4.12Å; K117-Q119 PolarHBondContact O-N 3.18Å
120L98.3Very high98.3Very high0 Ų036.2 Ų36.20%021%0.205CC..G310 helixtrans-103.93.1178.5-52.6-171.9000112.4C86 R87 I92 L114 K117 P118 G122 I123 R155C86-L120 HydrophobicContact CB-CD1 3.71Å; C86-L120 HydrophobicContact CB-CD2 3.59Å; C86-L120 HydrophobicContact CB-CG 4.33Å; R87-L120 HydrophobicContact CG-CD2 3.94Å; I92-L120 HydrophobicContact CD1-CD1 4.15Å; L114-L120 HydrophobicContact CD1-CD1 3.58Å; L114-L120 HydrophobicContact CG-CD1 3.91Å; L114-L120 WeakPolarHBondContact O-CD1 3.37Å; K117-L120 HydrophobicContact CB-CD1 4.19Å; K117-L120 HydrophobicContact CB-CG 4.04Å; K117-L120 PolarHBondContact O-N 2.89Å; P118-L120 PolarHBondContact O-N 3.43Å; L120-G122 PolarHBondContact O-N 3.31Å; L120-I123 HydrophobicContact CB-CD1 4.35Å; L120-I123 HydrophobicContact CD2-CD1 4.07Å; L120-I123 WeakPolarHBondContact O-CB 3.46Å; L120-I123 WeakPolarHBondContact O-CG1 3.43Å; L120-I123 PolarHBondContact O-N 3.06Å; L120-I123 VanDerWaalsContact O-N 3.15Å; L120-R155 PolarHBondContact O-NH1 3.38Å
121L97.5Very high98.2Very high113 Ų11336 Ų3659%0.59220%0.203SC*.THydrogen-bonded Turntrans-52.2132.4-178.6-175.963.2000111.4P118 I123 D154P118-L121 WeakPolarHBondContact O-CB 3.44Å; P118-L121 PolarHBondContact O-N 2.9Å; L121-I123 PolarHBondContact O-N 2.84Å; L121-D154 HydrophobicContact CD1-CB 3.83Å; L121-D154 VanDerWaalsContact CD1-OD2 3.23Å; L121-D154 WeakPolarHBondContact CD1-OD2 3.2Å
122G97.3Very high98.2Very high41 Ų4139.8 Ų39.842%0.42322%0.22SC..THydrogen-bonded Turntrans73.7-4.5177.400000115.8L120 P124 D154L120-G122 PolarHBondContact O-N 3.31Å; G122-P124 WeakPolarHBondContact O-CD 3.37Å; G122-D154 WeakPolarHBondContact CA-O 3.19Å
123I98.2Very high98.1Very high19 Ų1940.4 Ų40.410%0.09722%0.224CC..  trans-69.9123174.7-58.7-179.2000108.8C86 V89 I92 L120 L121 R155C86-I123 VanDerWaalsContact O-CD1 3.24Å; C86-I123 WeakPolarHBondContact O-CD1 3.44Å; V89-I123 HydrophobicContact CG2-CG2 3.78Å; I92-I123 HydrophobicContact CD1-CB 4.39Å; I92-I123 HydrophobicContact CD1-CG2 4.06Å; I92-I123 HydrophobicContact CG1-CG2 3.86Å; L120-I123 HydrophobicContact CB-CD1 4.35Å; L120-I123 HydrophobicContact CD2-CD1 4.07Å; L120-I123 WeakPolarHBondContact O-CB 3.46Å; L120-I123 WeakPolarHBondContact O-CG1 3.43Å; L120-I123 PolarHBondContact O-N 3.06Å; L120-I123 VanDerWaalsContact O-N 3.15Å; L121-I123 PolarHBondContact O-N 2.84Å; I123-R155 WeakPolarHBondContact O-CD 3.16Å; I123-R155 PolarHBondContact O-NH1 3.25Å
124P98.6Very high98.1Very high24 Ų2441.7 Ų41.716%0.15623%0.225CC..  trans-56.9144.1177.7-25.734.2000113N90 A91 I92 G122 E156 W176N90-P124 WeakPolarHBondContact O-CD 3.27Å; A91-P124 WeakPolarHBondContact CA-O 3.38Å; A91-P124 HydrophobicContact CB-CB 4.35Å; I92-P124 PolarHBondContact N-O 2.85Å; G122-P124 WeakPolarHBondContact O-CD 3.37Å; P124-E156 WeakPolarHBondContact CA-O 3.22Å; P124-E156 HydrophobicContact CB-CB 4.43Å; P124-W176 HydrophobicContact CB-CH2 3.79Å; P124-W176 HydrophobicContact CB-CZ2 4.33Å
125V98.8Very high97.9Very high0 Ų046.1 Ų46.10%025%0.254CS..EExtended strand (participates in β ladder)trans-122.2125.5-179.5-179.60000110.4I92 L115 V127 R155 E156 I157 C158I92-V125 HydrophobicContact CB-CG2 4.4Å; I92-V125 CarbonylContact O-C 3.53Å; I92-V125 WeakPolarHBondContact O-CA 3.43Å; L115-V125 HydrophobicContact CD1-CG2 4.09Å; L115-V125 HydrophobicContact CD2-CG2 3.56Å; L115-V125 HydrophobicContact CG-CG2 4.49Å; V125-V127 HydrophobicContact CG1-CG2 4.08Å; V125-R155 HydrophobicContact CG2-CG 4.49Å; V125-E156 PolarHBondContact N-O 3.43Å; V125-I157 HydrophobicContact CB-CD1 4.26Å; V125-I157 HydrophobicContact CB-CG1 4.15Å; V125-I157 HydrophobicContact CG1-CD1 4.18Å; V125-I157 HydrophobicContact CG1-CG1 4.33Å; V125-I157 VanDerWaalsContact O-CA 3.31Å; V125-I157 WeakPolarHBondContact O-CA 3.48Å; V125-C158 PolarHBondContact O-N 3.42Å
126L98.8Very high97.6Very high0 Ų052 Ų520%029%0.285CS..EExtended strand (participates in β ladder)trans-106.5111168.2-17661.4000109.7I92 I93 Y94 L128 C158 Y160 T173 W176 L177I92-L126 PolarHBondContact O-N 2.96Å; I93-L126 CarbonylContact C-O 3.45Å; I93-L126 WeakPolarHBondContact CA-O 3.48Å; I93-L126 HydrophobicContact CG1-CB 4.5Å; Y94-L126 PolarHBondContact N-O 3.47Å; L126-L128 HydrophobicContact CD1-CD2 4.26Å; L126-L128 HydrophobicContact CD2-CD1 4.46Å; L126-L128 HydrophobicContact CD2-CD2 3.92Å; L126-L128 HydrophobicContact CD2-CG 4.31Å; L126-L128 HydrophobicContact CG-CD2 3.81Å; L126-L128 HydrophobicContact CG-CG 4.11Å; L126-C158 HydrophobicContact CD1-CB 3.85Å; L126-Y160 HydrophobicContact CD1-CD2 3.82Å; L126-Y160 HydrophobicContact CD1-CE2 4.02Å; L126-T173 HydrophobicContact CD2-CG2 3.86Å; L126-W176 HydrophobicContact CB-CE3 3.9Å; L126-W176 HydrophobicContact CB-CH2 4Å; L126-W176 HydrophobicContact CB-CZ3 3.6Å; L126-W176 HydrophobicContact CD1-CD2 4.06Å; L126-W176 HydrophobicContact CD1-CE3 4.13Å; L126-W176 HydrophobicContact CD1-CG 4.4Å; L126-W176 HydrophobicContact CD2-CD2 4.4Å; L126-W176 HydrophobicContact CD2-CE3 3.78Å; L126-W176 HydrophobicContact CD2-CZ3 4.27Å; L126-W176 HydrophobicContact CG-CE3 4.16Å; L126-W176 HydrophobicContact CG-CZ3 4.37Å; L126-L177 HydrophobicContact CD2-CD2 3.97Å; L126-L177 HydrophobicContact CD2-CG 4.05Å
127V98.9Very high97.7Very high0 Ų047.2 Ų47.20%026%0.263CS..EExtended strand (participates in β ladder)trans-85.4125.5172.3-1770000108.8Y94 V96 L111 V125 L147 L149 I157 C158 C159 Y160Y94-V127 WeakPolarHBondContact O-CA 3.49Å; V96-V127 HydrophobicContact CG2-CG1 4.28Å; L111-V127 HydrophobicContact CD2-CG2 4.42Å; V125-V127 HydrophobicContact CG1-CG2 4.08Å; V127-L147 HydrophobicContact CG1-CD1 3.65Å; V127-L149 HydrophobicContact CB-CD1 4.1Å; V127-L149 HydrophobicContact CG1-CD1 4.34Å; V127-L149 HydrophobicContact CG2-CD1 3.83Å; V127-L149 HydrophobicContact CG2-CD2 4.03Å; V127-I157 HydrophobicContact CG2-CD1 4.12Å; V127-I157 HydrophobicContact CG2-CG1 4.33Å; V127-C158 PolarHBondContact N-O 2.64Å; V127-C159 HydrophobicContact CB-CB 4.28Å; V127-C159 VanDerWaalsContact O-CA 3.29Å; V127-C159 WeakPolarHBondContact O-CA 3.42Å; V127-Y160 PolarHBondContact O-N 3.42Å
128L98.9Very high97.7Very high0 Ų044.1 Ų44.10%025%0.25CS..EExtended strand (participates in β ladder)trans-116110.8177-62.9179.2000109.2F36 I93 Y94 M95 V96 L126 N130 Y160 I162 T173F36-L128 HydrophobicContact CD2-CD1 4.18Å; F36-L128 HydrophobicContact CE2-CD1 3.8Å; F36-L128 HydrophobicContact CZ-CD1 4Å; I93-L128 HydrophobicContact CG2-CD1 3.54Å; I93-L128 HydrophobicContact CG2-CG 4.04Å; Y94-L128 PolarHBondContact O-N 2.96Å; M95-L128 HydrophobicContact CE-CB 4.11Å; M95-L128 HydrophobicContact CE-CD1 3.89Å; M95-L128 HydrophobicContact SD-CB 3.71Å; V96-L128 PolarHBondContact N-O 3.32Å; L126-L128 HydrophobicContact CD1-CD2 4.26Å; L126-L128 HydrophobicContact CD2-CD1 4.46Å; L126-L128 HydrophobicContact CD2-CD2 3.92Å; L126-L128 HydrophobicContact CD2-CG 4.31Å; L126-L128 HydrophobicContact CG-CD2 3.81Å; L126-L128 HydrophobicContact CG-CG 4.11Å; L128-N130 PolarHBondContact O-N 2.84Å; L128-Y160 WeakPolarHBondContact CA-O 3.36Å; L128-Y160 HydrophobicContact CD2-CD2 4.45Å; L128-I162 HydrophobicContact CB-CD1 4.08Å; L128-I162 HydrophobicContact CB-CG1 4.38Å; L128-I162 HydrophobicContact CD1-CD1 3.98Å; L128-I162 HydrophobicContact CD2-CG2 4.08Å; L128-I162 HydrophobicContact CG-CD1 4.42Å; L128-T173 HydrophobicContact CD1-CG2 3.96Å; L128-T173 HydrophobicContact CD2-CG2 4.01Å
129G98.8Very high97.7Very high0 Ų041.1 Ų41.10%023%0.233CC..EExtended strand (participates in β ladder)trans-80.794.5167.300000109.7Y160 S161 I162G129-Y160 PolarHBondContact N-O 2.85Å; G129-S161 CarbonylContact O-C 3.6Å; G129-S161 WeakPolarHBondContact O-CA 3.41Å; G129-I162 PolarHBondContact O-N 3.34Å
130N98.7Very high97.8Very high7 Ų739.5 Ų39.54%0.03723%0.226CC..EExtended strand (participates in β ladder)trans-86.2166.3-177.5-178.543.5000112.2S31 M95 V96 A98 L128 I162 C164S31-N130 PolarHBondContact O-ND2 3.45Å; M95-N130 HydrophobicContact CG-CB 4.41Å; M95-N130 HydrophobicContact SD-CB 3.43Å; M95-N130 WeakPolarHBondContact SD-CB 3.4Å; V96-N130 PolarHBondContact O-N 2.92Å; A98-N130 VanDerWaalsContact CB-O 3.29Å; A98-N130 WeakPolarHBondContact CB-O 3.43Å; A98-N130 PolarHBondContact N-O 3.35Å; L128-N130 PolarHBondContact O-N 2.84Å; N130-I162 CarbonylContact C-O 3.53Å; N130-I162 WeakPolarHBondContact CA-O 3.29Å; N130-I162 HydrophobicContact CB-CD1 4.38Å; N130-I162 HydrophobicContact CB-CG1 4.02Å; N130-C164 PolarHBondContact OD1-N 3.36Å; N130-C164 PolarHBondContact OD1-SG 2.83Å
131K97.8Very high97.8Very high51 Ų5145.6 Ų45.622%0.22225%0.254CS..  trans67.934.8-176.6-44.1-171.6-167.3170.10113.3Y30 D97 D133 L134 A137 I162Y30-K131 WeakPolarHBondContact O-CE 3.4Å; Y30-K131 PolarHBondContact O-NZ 3.49Å; D97-K131 WeakPolarHBondContact OD2-CD 3.48Å; D97-K131 WeakPolarHBondContact OD2-CE 3.17Å; D97-K131 IonicContact OD2-NZ 2.64Å; D97-K131 PolarHBondContact OD2-NZ 3.41Å; K131-D133 WeakPolarHBondContact CA-OD1 3.23Å; K131-D133 PolarHBondContact O-N 3.3Å; K131-D133 VanDerWaalsContact O-N 3.13Å; K131-L134 HydrophobicContact CB-CD1 3.78Å; K131-L134 HydrophobicContact CB-CG 4.02Å; K131-L134 HydrophobicContact CD-CD1 3.8Å; K131-L134 HydrophobicContact CG-CD1 4.41Å; K131-L134 WeakPolarHBondContact O-CB 3.35Å; K131-L134 PolarHBondContact O-N 3.38Å; K131-A137 WeakPolarHBondContact O-CB 3.33Å; K131-I162 PolarHBondContact N-O 2.96Å
132K98Very high97.9Very high81 Ų8144.1 Ų44.135%0.35224%0.244SC..THydrogen-bonded Turntrans-55.1-25.1173-173-166.617382.50113L134 I162K132-L134 PolarHBondContact O-N 3.25Å; K132-I162 WeakPolarHBondContact CB-O 3.34Å; K132-I162 PolarHBondContact N-O 3.07Å
133D97.3Very high97.9Very high51 Ų5142.1 Ų42.127%0.27322%0.224SC..THydrogen-bonded Turntrans-67.5-18.317657.3-74.4000113.9K131 S163 E166K131-D133 WeakPolarHBondContact CA-OD1 3.23Å; K131-D133 PolarHBondContact O-N 3.3Å; K131-D133 VanDerWaalsContact O-N 3.13Å; D133-S163 WeakPolarHBondContact OD1-CB 3.42Å; D133-S163 PolarHBondContact OD1-OG 2.8Å; D133-E166 HydrophobicContact CB-CG 3.75Å
134L97.8Very high98Very high71 Ų7144.7 Ų44.737%0.37224%0.237SC..SBendtrans-81.2148.8-179.9-64.9-176.6000112.1A99 K131 K132 A137A99-L134 HydrophobicContact CB-CB 3.8Å; A99-L134 HydrophobicContact CB-CD1 3.91Å; A99-L134 HydrophobicContact CB-CG 4.49Å; K131-L134 HydrophobicContact CB-CD1 3.78Å; K131-L134 HydrophobicContact CB-CG 4.02Å; K131-L134 HydrophobicContact CD-CD1 3.8Å; K131-L134 HydrophobicContact CG-CD1 4.41Å; K131-L134 WeakPolarHBondContact O-CB 3.35Å; K131-L134 PolarHBondContact O-N 3.38Å; K132-L134 PolarHBondContact O-N 3.25Å; L134-A137 WeakPolarHBondContact O-CB 3.25Å; L134-A137 PolarHBondContact O-N 3.25Å
135P94.2Very high98Very high100 Ų10048.7 Ų48.765%0.64926%0.261SS*.THydrogen-bonded Turntrans-60142.4171.927.1-34.4000110.3A137P135-A137 PolarHBondContact O-N 2.83Å
136N94Very high98Very high129 Ų12950.2 Ų50.269%0.6927%0.274SS*.THydrogen-bonded Turntrans67.612.6-177.9-44.2-49.4000115.3H101 L138H101-N136 PolarHBondContact NE2-O 3.34Å; N136-L138 PolarHBondContact O-N 2.88Å
137A98.3Very high98Very high25 Ų2550.2 Ų50.221%0.20727%0.274CS..PPolyproline II helixtrans-61128.2171.700000111.1A98 A99 K131 L134 P135A98-A137 HydrophobicContact CB-CB 4.15Å; A98-A137 WeakPolarHBondContact O-CA 3.49Å; A99-A137 HydrophobicContact CB-CB 4.36Å; K131-A137 WeakPolarHBondContact O-CB 3.33Å; L134-A137 WeakPolarHBondContact O-CB 3.25Å; L134-A137 PolarHBondContact O-N 3.25Å; P135-A137 PolarHBondContact O-N 2.83Å
138L98.4Very high97.9Very high16 Ų1654.1 Ų54.18%0.08430%0.295CS..PPolyproline II helixtrans-65.2138178.4-67.2-172.3000111.9A98 L104 N136 E142 L143 A146 S161A98-L138 PolarHBondContact O-N 2.89Å; L104-L138 HydrophobicContact CD1-CD1 3.35Å; L104-L138 HydrophobicContact CD1-CG 4.45Å; L104-L138 HydrophobicContact CD2-CD1 4.2Å; L104-L138 HydrophobicContact CG-CD1 4.42Å; N136-L138 PolarHBondContact O-N 2.88Å; L138-E142 HydrophobicContact CB-CB 4.02Å; L138-E142 HydrophobicContact CD1-CB 4.29Å; L138-E142 HydrophobicContact CD2-CB 3.97Å; L138-E142 HydrophobicContact CG-CB 4.32Å; L138-L143 HydrophobicContact CB-CD2 4.02Å; L138-L143 HydrophobicContact CB-CG 3.85Å; L138-L143 HydrophobicContact CD1-CD2 4.12Å; L138-A146 HydrophobicContact CD1-CB 4.46Å; L138-S161 PolarHBondContact O-OG 3.5Å
139A97.6Very high97.9Very high32 Ų3254.5 Ų54.526%0.26430%0.297SS..PPolyproline II helixtrans-73.5167168.200000111.5H141 E142 L143A139-H141 VanDerWaalsContact C-N 3.33Å; A139-H141 PolarHBondContact O-N 2.91Å; A139-E142 WeakPolarHBondContact CB-OE2 3.42Å; A139-E142 PolarHBondContact N-OE2 3.3Å; A139-E142 WeakPolarHBondContact O-CB 3.37Å; A139-E142 PolarHBondContact O-N 2.96Å; A139-E142 VanDerWaalsContact O-N 3.09Å; A139-L143 PolarHBondContact O-N 3.05Å
140E98.3Very high97.9Very high70 Ų7057.6 Ų57.633%0.32733%0.328SS..Hα-helixtrans-55.7-44.2-176.3-67.5171.1177.400113E142 L143 I144 Y160 S161E140-E142 VanDerWaalsContact C-N 3.31Å; E140-E142 PolarHBondContact O-N 3.1Å; E140-L143 PolarHBondContact O-N 3.2Å; E140-I144 WeakPolarHBondContact O-CB 3.43Å; E140-I144 WeakPolarHBondContact O-CD1 3.32Å; E140-I144 WeakPolarHBondContact O-CG1 3.19Å; E140-I144 PolarHBondContact O-N 2.85Å; E140-Y160 WeakPolarHBondContact OE1-CA 3.09Å; E140-S161 VanDerWaalsContact CG-N 3.33Å; E140-S161 WeakPolarHBondContact CG-OG 3.28Å; E140-S161 PolarHBondContact N-OG 2.79Å; E140-S161 PolarHBondContact OE1-N 3.29Å
141H98.3Very high97.9Very high127 Ų12759.8 Ų59.859%0.58835%0.348SS*.Hα-helixtrans-66-33.5179.969.3-80.7000112.9A139 T145A139-H141 VanDerWaalsContact C-N 3.33Å; A139-H141 PolarHBondContact O-N 2.91Å; H141-T145 PolarHBondContact O-N 3.34Å; H141-T145 VanDerWaalsContact O-N 3.14Å; H141-T145 PolarHBondContact O-OG1 3.03Å
142E98.6Very high97.9Very high82 Ų8258.1 Ų58.138%0.38334%0.341SS..Hα-helixtrans-71.6-42175.7-60.1174.6109.300110.5L138 A139 E140 T145 A146L138-E142 HydrophobicContact CB-CB 4.02Å; L138-E142 HydrophobicContact CD1-CB 4.29Å; L138-E142 HydrophobicContact CD2-CB 3.97Å; L138-E142 HydrophobicContact CG-CB 4.32Å; A139-E142 WeakPolarHBondContact CB-OE2 3.42Å; A139-E142 PolarHBondContact N-OE2 3.3Å; A139-E142 WeakPolarHBondContact O-CB 3.37Å; A139-E142 PolarHBondContact O-N 2.96Å; A139-E142 VanDerWaalsContact O-N 3.09Å; E140-E142 VanDerWaalsContact C-N 3.31Å; E140-E142 PolarHBondContact O-N 3.1Å; E142-T145 PolarHBondContact O-N 3.36Å; E142-A146 WeakPolarHBondContact O-CB 3.49Å; E142-A146 PolarHBondContact O-N 3.31Å
143L98.7Very high97.9Very high0 Ų060.3 Ų60.30%036%0.361CS..Hα-helixtrans-63-44.3173.9-71.5165.8000112.2V96 A98 L104 L138 A139 E140 T145 A146 L147V96-L143 HydrophobicContact CG1-CD2 4.32Å; A98-L143 HydrophobicContact CB-CD1 4.35Å; A98-L143 HydrophobicContact CB-CD2 4.47Å; L104-L143 HydrophobicContact CD2-CD2 4.23Å; L138-L143 HydrophobicContact CB-CD2 4.02Å; L138-L143 HydrophobicContact CB-CG 3.85Å; L138-L143 HydrophobicContact CD1-CD2 4.12Å; A139-L143 PolarHBondContact O-N 3.05Å; E140-L143 PolarHBondContact O-N 3.2Å; L143-T145 PolarHBondContact O-N 3.37Å; L143-A146 PolarHBondContact O-N 2.86Å; L143-L147 VanDerWaalsContact O-CB 3.25Å; L143-L147 WeakPolarHBondContact O-CB 3.35Å; L143-L147 WeakPolarHBondContact O-CG 3.46Å; L143-L147 PolarHBondContact O-N 3.14Å
144I98.8Very high97.9Very high72 Ų7261.3 Ų61.337%0.36937%0.366SS..Hα-helixtrans-55.9-43.7176-74.4162.5000110.4E140 N148 L149 C159E140-I144 WeakPolarHBondContact O-CB 3.43Å; E140-I144 WeakPolarHBondContact O-CD1 3.32Å; E140-I144 WeakPolarHBondContact O-CG1 3.19Å; E140-I144 PolarHBondContact O-N 2.85Å; I144-N148 PolarHBondContact O-N 3.32Å; I144-L149 HydrophobicContact CG1-CD1 4.04Å; I144-L149 HydrophobicContact CG2-CB 4.39Å; I144-L149 PolarHBondContact O-N 3.32Å; I144-C159 HydrophobicContact CD1-CB 4.26Å; I144-C159 HydrophobicContact CG1-CB 3.88Å
145T98.7Very high97.9Very high109 Ų10959 Ų5967%0.66935%0.353SS*.Hα-helixtrans-70.8-51.6178.7-55.60000111.2H141 E142 L143 L147 N148H141-T145 PolarHBondContact O-N 3.34Å; H141-T145 VanDerWaalsContact O-N 3.14Å; H141-T145 PolarHBondContact O-OG1 3.03Å; E142-T145 PolarHBondContact O-N 3.36Å; L143-T145 PolarHBondContact O-N 3.37Å; T145-L147 VanDerWaalsContact C-N 3.33Å; T145-L147 PolarHBondContact O-N 3.41Å; T145-N148 PolarHBondContact O-N 3.34Å
146A98.6Very high98.1Very high32 Ų3259 Ų5926%0.26434%0.344SS..Hα-helixtrans-62.7-37.9-176.100000112.7L104 R108 L138 E142 L143 N148L104-A146 HydrophobicContact CD1-CB 4.34Å; R108-A146 WeakPolarHBondContact CD-O 3.48Å; L138-A146 HydrophobicContact CD1-CB 4.46Å; E142-A146 WeakPolarHBondContact O-CB 3.49Å; E142-A146 PolarHBondContact O-N 3.31Å; L143-A146 PolarHBondContact O-N 2.86Å; A146-N148 VanDerWaalsContact C-N 3.32Å
147L98.8Very high98.3Very high0 Ų055.1 Ų55.10%032%0.323CS..THydrogen-bonded Turntrans-88.50.2177.8-58.7171.7000112.9V96 R108 L111 H112 V127 L143 T145 L149V96-L147 HydrophobicContact CG2-CD1 3.84Å; V96-L147 HydrophobicContact CG2-CD2 4.39Å; R108-L147 HydrophobicContact CB-CD2 4.15Å; L111-L147 HydrophobicContact CD2-CB 4.47Å; H112-L147 PolarHBondContact NE2-O 3.42Å; V127-L147 HydrophobicContact CG1-CD1 3.65Å; L143-L147 VanDerWaalsContact O-CB 3.25Å; L143-L147 WeakPolarHBondContact O-CB 3.35Å; L143-L147 WeakPolarHBondContact O-CG 3.46Å; L143-L147 PolarHBondContact O-N 3.14Å; T145-L147 VanDerWaalsContact C-N 3.33Å; T145-L147 PolarHBondContact O-N 3.41Å; L147-L149 VanDerWaalsContact C-N 3.29Å; L147-L149 HydrophobicContact CB-CD2 3.53Å; L147-L149 HydrophobicContact CB-CG 3.92Å; L147-L149 HydrophobicContact CD1-CD2 4.38Å; L147-L149 PolarHBondContact O-N 3.33Å
148N98.6Very high98.3Very high82 Ų8255.1 Ų55.144%0.43932%0.321SS..THydrogen-bonded Turntrans50.747.1-178.4-170.831.3000112.6H112 I144 T145 A146 G150 A151H112-N148 PolarHBondContact CE1-O 3.28Å; H112-N148 PolarHBondContact NE2-O 3.18Å; I144-N148 PolarHBondContact O-N 3.32Å; T145-N148 PolarHBondContact O-N 3.34Å; A146-N148 VanDerWaalsContact C-N 3.32Å; N148-G150 PolarHBondContact O-N 3.44Å; N148-A151 VanDerWaalsContact ND2-CB 3.34Å; N148-A151 WeakPolarHBondContact ND2-CB 3.43Å; N148-A151 PolarHBondContact O-N 2.99Å
149L98.8Very high98.3Very high8 Ų855 Ų554%0.04232%0.321CS..G310 helixtrans-68.1-26.7-174.4-57.4-171.3000112.3L111 V127 I144 L147 A151 I152 I157 C159L111-L149 HydrophobicContact CD2-CD2 3.52Å; V127-L149 HydrophobicContact CB-CD1 4.1Å; V127-L149 HydrophobicContact CG1-CD1 4.34Å; V127-L149 HydrophobicContact CG2-CD1 3.83Å; V127-L149 HydrophobicContact CG2-CD2 4.03Å; I144-L149 HydrophobicContact CG1-CD1 4.04Å; I144-L149 HydrophobicContact CG2-CB 4.39Å; I144-L149 PolarHBondContact O-N 3.32Å; L147-L149 VanDerWaalsContact C-N 3.29Å; L147-L149 HydrophobicContact CB-CD2 3.53Å; L147-L149 HydrophobicContact CB-CG 3.92Å; L147-L149 HydrophobicContact CD1-CD2 4.38Å; L147-L149 PolarHBondContact O-N 3.33Å; L149-A151 PolarHBondContact O-N 2.96Å; L149-I152 HydrophobicContact CD2-CD1 4.19Å; L149-I152 WeakPolarHBondContact O-CB 3.36Å; L149-I152 PolarHBondContact O-N 2.79Å; L149-I152 VanDerWaalsContact O-N 3.09Å; L149-I157 HydrophobicContact CB-CD1 4.22Å; L149-I157 HydrophobicContact CD1-CD1 4.39Å; L149-I157 HydrophobicContact CD2-CD1 3.9Å; L149-I157 HydrophobicContact CG-CD1 4.39Å; L149-C159 HydrophobicContact CD1-CB 3.86Å
150G98Very high98.4Very high64 Ų6455.7 Ų55.766%0.6632%0.317SS*.G310 helixtrans-65.8-15.7176.900000114.8N148 I152N148-G150 PolarHBondContact O-N 3.44Å; G150-I152 VanDerWaalsContact C-N 3.32Å
151A98.1Very high98.4Very high54 Ų5452.4 Ų52.445%0.44630%0.302SS..G310 helixtrans-78.5-17.2173.600000113.1N148 L149 T153N148-A151 VanDerWaalsContact ND2-CB 3.34Å; N148-A151 WeakPolarHBondContact ND2-CB 3.43Å; N148-A151 PolarHBondContact O-N 2.99Å; L149-A151 PolarHBondContact O-N 2.96Å; A151-T153 PolarHBondContact O-N 2.93Å
152I98.5Very high98.4Very high16 Ų1646.4 Ų46.48%0.08227%0.274CS..  trans-84.2110.6179.5-61.2159.6000108.1L111 L115 L149 G150 R155 I157L111-I152 HydrophobicContact CD2-CD1 4.47Å; L115-I152 HydrophobicContact CD1-CD1 3.49Å; L115-I152 VanDerWaalsContact CD1-CD1 3.49Å; L115-I152 HydrophobicContact CD1-CG1 4.13Å; L115-I152 HydrophobicContact CD1-CG2 4.26Å; L149-I152 HydrophobicContact CD2-CD1 4.19Å; L149-I152 WeakPolarHBondContact O-CB 3.36Å; L149-I152 PolarHBondContact O-N 2.79Å; L149-I152 VanDerWaalsContact O-N 3.09Å; G150-I152 VanDerWaalsContact C-N 3.32Å; I152-R155 HydrophobicContact CG2-CG 3.65Å; I152-I157 HydrophobicContact CB-CD1 4.37Å; I152-I157 HydrophobicContact CD1-CD1 3.49Å; I152-I157 VanDerWaalsContact CD1-CD1 3.49Å; I152-I157 HydrophobicContact CG2-CD1 4.38Å
153T97.4Very high98.4Very high127 Ų12742.5 Ų42.578%0.77926%0.256SS*.  trans-123.4-4.4-171.854.10000113.9A151A151-T153 PolarHBondContact O-N 2.93Å
154D97.3Very high98.2Very high71 Ų7142.5 Ų42.538%0.3826%0.256SS..SBendtrans-97.47-172.469.8-23.7000113.7L121 G122L121-D154 HydrophobicContact CD1-CB 3.83Å; L121-D154 VanDerWaalsContact CD1-OD2 3.23Å; L121-D154 WeakPolarHBondContact CD1-OD2 3.2Å; G122-D154 WeakPolarHBondContact CA-O 3.19Å
155R97.7Very high98.1Very high24 Ų2443.6 Ų43.69%0.09126%0.258CS..SBendtrans-161.2163.5-177.164.8-161.569.1-141.74.3111.7L115 L120 I123 V125 I152L115-R155 PolarHBondContact O-NH2 3Å; L120-R155 PolarHBondContact O-NH1 3.38Å; I123-R155 WeakPolarHBondContact O-CD 3.16Å; I123-R155 PolarHBondContact O-NH1 3.25Å; V125-R155 HydrophobicContact CG2-CG 4.49Å; I152-R155 HydrophobicContact CG2-CG 3.65Å
156E98.3Very high97.9Very high100 Ų10043.5 Ų43.547%0.46725%0.25SS..  trans-67.9131.8164.6-177.6175.1157.400109.7P124 V125 W176 H180P124-E156 WeakPolarHBondContact CA-O 3.22Å; P124-E156 HydrophobicContact CB-CB 4.43Å; V125-E156 PolarHBondContact N-O 3.43Å; E156-W176 HydrophobicContact CG-CZ2 4.27Å; E156-W176 PolarHBondContact OE1-NE1 3.38Å; E156-H180 IonicContact OE1-CE1 3.63Å; E156-H180 PolarHBondContact OE1-CE1 3.38Å; E156-H180 IonicContact OE1-NE2 2.68Å; E156-H180 IonicContact OE2-CE1 3.31Å; E156-H180 IonicContact OE2-NE2 3.66Å; E156-H180 PolarHBondContact OE2-NE2 2.87Å
157I98.5Very high97.7Very high46 Ų4646.2 Ų46.224%0.23626%0.258CS..EExtended strand (participates in β ladder)trans-132.6131.6172.9-170.2159.7000110.5V125 V127 L149 I152V125-I157 HydrophobicContact CB-CD1 4.26Å; V125-I157 HydrophobicContact CB-CG1 4.15Å; V125-I157 HydrophobicContact CG1-CD1 4.18Å; V125-I157 HydrophobicContact CG1-CG1 4.33Å; V125-I157 VanDerWaalsContact O-CA 3.31Å; V125-I157 WeakPolarHBondContact O-CA 3.48Å; V127-I157 HydrophobicContact CG2-CD1 4.12Å; V127-I157 HydrophobicContact CG2-CG1 4.33Å; L149-I157 HydrophobicContact CB-CD1 4.22Å; L149-I157 HydrophobicContact CD1-CD1 4.39Å; L149-I157 HydrophobicContact CD2-CD1 3.9Å; L149-I157 HydrophobicContact CG-CD1 4.39Å; I152-I157 HydrophobicContact CB-CD1 4.37Å; I152-I157 HydrophobicContact CD1-CD1 3.49Å; I152-I157 VanDerWaalsContact CD1-CD1 3.49Å; I152-I157 HydrophobicContact CG2-CD1 4.38Å
158C98.4Very high97.6Very high26 Ų2650.2 Ų50.218%0.17628%0.276CS..EExtended strand (participates in β ladder)trans-127.1152175.6-166.40000109.7V125 L126 V127 Y160 W176V125-C158 PolarHBondContact O-N 3.42Å; L126-C158 HydrophobicContact CD1-CB 3.85Å; V127-C158 PolarHBondContact N-O 2.64Å; C158-Y160 VanDerWaalsContact SG-CZ 3.53Å; C158-W176 HydrophobicContact CB-CD2 4.45Å; C158-W176 HydrophobicContact CB-CZ2 4.04Å
159C98.8Very high97.6Very high12 Ų1248.7 Ų48.78%0.08127%0.268CS..EExtended strand (participates in β ladder)trans-133.5126.3179.9-175.90000109.9V127 I144 L149V127-C159 HydrophobicContact CB-CB 4.28Å; V127-C159 VanDerWaalsContact O-CA 3.29Å; V127-C159 WeakPolarHBondContact O-CA 3.42Å; I144-C159 HydrophobicContact CD1-CB 4.26Å; I144-C159 HydrophobicContact CG1-CB 3.88Å; L149-C159 HydrophobicContact CD1-CB 3.86Å
160Y98.7Very high97.4Very high48 Ų4849 Ų4919%0.18827%0.27CS..EExtended strand (participates in β ladder)trans-125.7141.9172-62.6-43.8000111.3L126 V127 L128 G129 E140 C158 I172 W176L126-Y160 HydrophobicContact CD1-CD2 3.82Å; L126-Y160 HydrophobicContact CD1-CE2 4.02Å; V127-Y160 PolarHBondContact O-N 3.42Å; L128-Y160 WeakPolarHBondContact CA-O 3.36Å; L128-Y160 HydrophobicContact CD2-CD2 4.45Å; G129-Y160 PolarHBondContact N-O 2.85Å; E140-Y160 WeakPolarHBondContact OE1-CA 3.09Å; C158-Y160 VanDerWaalsContact SG-CZ 3.53Å; Y160-I172 HydrophobicContact CD1-CD1 4.04Å; Y160-I172 HydrophobicContact CD2-CD1 4.5Å; Y160-I172 HydrophobicContact CD2-CG1 4.43Å; Y160-I172 HydrophobicContact CE1-CD1 4.26Å; Y160-I172 HydrophobicContact CG-CD1 4.19Å; Y160-W176 HydrophobicContact CE2-CB 3.88Å; Y160-W176 HydrophobicContact CE2-CG 4.29Å
161S98.4Very high97.1Very high1 Ų150.4 Ų50.41%0.00726%0.262CS..EExtended strand (participates in β ladder)trans-88.9127.5165.5-67.80000108.8G129 L138 E140 N169G129-S161 CarbonylContact O-C 3.6Å; G129-S161 WeakPolarHBondContact O-CA 3.41Å; L138-S161 PolarHBondContact O-OG 3.5Å; E140-S161 VanDerWaalsContact CG-N 3.33Å; E140-S161 WeakPolarHBondContact CG-OG 3.28Å; E140-S161 PolarHBondContact N-OG 2.79Å; E140-S161 PolarHBondContact OE1-N 3.29Å; S161-N169 WeakPolarHBondContact O-CB 3.44Å; S161-N169 PolarHBondContact O-ND2 2.88Å
162I98.5Very high96.9Very high0 Ų050.2 Ų50.20%025%0.253CS..  trans-131.4162.9-176.169.1166.3000111.5F36 M95 L128 G129 N130 K131 K132 N169 I170F36-I162 HydrophobicContact CD2-CD1 3.82Å; F36-I162 HydrophobicContact CE2-CD1 4.1Å; M95-I162 HydrophobicContact CE-CD1 4.34Å; M95-I162 HydrophobicContact SD-CD1 4.48Å; L128-I162 HydrophobicContact CB-CD1 4.08Å; L128-I162 HydrophobicContact CB-CG1 4.38Å; L128-I162 HydrophobicContact CD1-CD1 3.98Å; L128-I162 HydrophobicContact CD2-CG2 4.08Å; L128-I162 HydrophobicContact CG-CD1 4.42Å; G129-I162 PolarHBondContact O-N 3.34Å; N130-I162 CarbonylContact C-O 3.53Å; N130-I162 WeakPolarHBondContact CA-O 3.29Å; N130-I162 HydrophobicContact CB-CD1 4.38Å; N130-I162 HydrophobicContact CB-CG1 4.02Å; K131-I162 PolarHBondContact N-O 2.96Å; K132-I162 WeakPolarHBondContact CB-O 3.34Å; K132-I162 PolarHBondContact N-O 3.07Å; I162-N169 HydrophobicContact CB-CB 4.5Å; I162-N169 HydrophobicContact CG2-CB 3.9Å; I162-I170 HydrophobicContact CB-CD1 4.48Å; I162-I170 HydrophobicContact CD1-CD1 4.13Å
163S98.1Very high96.7Very high0 Ų049.4 Ų49.40%025%0.249CC..BIsolated β-bridgetrans-123.2115.9159.2178.10000109.1D133 K165 E166 Q167 E168D133-S163 WeakPolarHBondContact OD1-CB 3.42Å; D133-S163 PolarHBondContact OD1-OG 2.8Å; S163-K165 PolarHBondContact O-N 3.38Å; S163-K165 PolarHBondContact OG-N 2.85Å; S163-E166 PolarHBondContact OG-N 3.26Å; S163-Q167 CarbonylContact O-C 3.49Å; S163-Q167 WeakPolarHBondContact O-CA 3.5Å; S163-Q167 PolarHBondContact O-N 3.3Å; S163-E168 PolarHBondContact N-O 3.28Å; S163-E168 PolarHBondContact O-N 3.46Å; S163-E168 VanDerWaalsContact O-N 3.07Å
164C96.3Very high96.4Very high1 Ų145.2 Ų45.21%0.00722%0.221CC..THydrogen-bonded Turntrans-68.3-27.9169.5-64.80000112T35 V39 N130T35-C164 HydrophobicContact CG2-CB 3.72Å; V39-C164 HydrophobicContact CG2-CB 4.24Å; V39-C164 WeakPolarHBondContact CG2-O 3.21Å; N130-C164 PolarHBondContact OD1-N 3.36Å; N130-C164 PolarHBondContact OD1-SG 2.83Å
165K95.3Very high96.1Very high95 Ų9547 Ų4741%0.41323%0.228SC..THydrogen-bonded Turntrans-71-53.8-179.1-179.2-174.3170.2-171.80110.8F45 S163 Q167F45-K165 HydrophobicContact CD1-CG 4.26Å; F45-K165 HydrophobicContact CD2-CB 4.14Å; F45-K165 HydrophobicContact CD2-CG 4.47Å; F45-K165 HydrophobicContact CE1-CG 4.08Å; F45-K165 HydrophobicContact CE2-CB 3.99Å; F45-K165 HydrophobicContact CE2-CG 4.31Å; F45-K165 HydrophobicContact CG-CG 4.46Å; F45-K165 HydrophobicContact CZ-CB 4.26Å; F45-K165 HydrophobicContact CZ-CG 4.11Å; S163-K165 PolarHBondContact O-N 3.38Å; S163-K165 PolarHBondContact OG-N 2.85Å; K165-Q167 VanDerWaalsContact C-N 3.31Å
166E95.9Very high95.9Very high106 Ų10646.5 Ų46.550%0.49523%0.225SC..THydrogen-bonded Turntrans-87.5-3.1-179.6-54.9-55147.100112.7D133 S163 E168D133-E166 HydrophobicContact CB-CG 3.75Å; S163-E166 PolarHBondContact OG-N 3.26Å; E166-E168 VanDerWaalsContact C-N 3.25Å; E166-E168 HydrophobicContact CB-CG 4.13Å; E166-E168 PolarHBondContact O-N 3.04Å
167Q93.7Very high95.6Very high90 Ų9041.8 Ų41.842%0.42120%0.203SC..THydrogen-bonded Turntrans5832-177.3-54.1-172.137.300114.2V39 G43 S163 K165 I170V39-Q167 HydrophobicContact CG1-CG 4.22Å; G43-Q167 PolarHBondContact O-NE2 2.79Å; S163-Q167 CarbonylContact O-C 3.49Å; S163-Q167 WeakPolarHBondContact O-CA 3.5Å; S163-Q167 PolarHBondContact O-N 3.3Å; K165-Q167 VanDerWaalsContact C-N 3.31Å; Q167-I170 HydrophobicContact CB-CG1 4.2Å
168E97.2Very high95Very high84 Ų8443.6 Ų43.639%0.39321%0.213SC..BIsolated β-bridgetrans-75.7138.7175-66.8-174.5-169.300111.9S163 E166 I170S163-E168 PolarHBondContact N-O 3.28Å; S163-E168 PolarHBondContact O-N 3.46Å; S163-E168 VanDerWaalsContact O-N 3.07Å; E166-E168 VanDerWaalsContact C-N 3.25Å; E166-E168 HydrophobicContact CB-CG 4.13Å; E166-E168 PolarHBondContact O-N 3.04Å; E168-I170 PolarHBondContact O-N 3.3Å; E168-I170 VanDerWaalsContact O-N 3.1Å
169N97.4Very high94.5Very high50 Ų5050.4 Ų50.427%0.26724%0.239SC..THydrogen-bonded Turntrans58.916.7176.5-67.7-17.5000115.2S161 I162 D171 I172 T173S161-N169 WeakPolarHBondContact O-CB 3.44Å; S161-N169 PolarHBondContact O-ND2 2.88Å; I162-N169 HydrophobicContact CB-CB 4.5Å; I162-N169 HydrophobicContact CG2-CB 3.9Å; N169-D171 VanDerWaalsContact C-N 3.34Å; N169-I172 HydrophobicContact CB-CD1 3.77Å; N169-I172 HydrophobicContact CB-CG1 3.84Å; N169-I172 VanDerWaalsContact O-CG1 3.23Å; N169-I172 WeakPolarHBondContact O-CG1 3.22Å; N169-T173 WeakPolarHBondContact O-CB 3.48Å; N169-T173 PolarHBondContact O-N 3.29Å; N169-T173 PolarHBondContact O-OG1 2.79Å
170I94.7Very high94.1Very high14 Ų1451.4 Ų51.47%0.07224%0.243CC..Hα-helixtrans-69.9-34.3176.1-57.8-58.4000111F36 V39 I40 I162 Q167 E168 T173 L174F36-I170 HydrophobicContact CD2-CD1 4.28Å; F36-I170 HydrophobicContact CE2-CD1 4.14Å; V39-I170 HydrophobicContact CG1-CG1 4.41Å; V39-I170 HydrophobicContact CG1-CG2 4.34Å; I40-I170 HydrophobicContact CD1-CG2 3.7Å; I162-I170 HydrophobicContact CB-CD1 4.48Å; I162-I170 HydrophobicContact CD1-CD1 4.13Å; Q167-I170 HydrophobicContact CB-CG1 4.2Å; E168-I170 PolarHBondContact O-N 3.3Å; E168-I170 VanDerWaalsContact O-N 3.1Å; I170-T173 WeakPolarHBondContact O-CB 3.42Å; I170-T173 PolarHBondContact O-N 3.09Å; I170-L174 HydrophobicContact CG2-CD1 4.27Å; I170-L174 HydrophobicContact CG2-CG 4.5Å; I170-L174 WeakPolarHBondContact O-CB 3.2Å; I170-L174 VanDerWaalsContact O-CG 3.32Å; I170-L174 WeakPolarHBondContact O-CG 3.43Å; I170-L174 PolarHBondContact O-N 2.86Å
171D91.9Very high93.4Very high93 Ų9350.2 Ų50.250%0.49724%0.242SC..Hα-helixtrans-65.7-49.3178.364.7-36.1000112.4N169 T173 L174 Q175N169-D171 VanDerWaalsContact C-N 3.34Å; D171-T173 VanDerWaalsContact C-N 3.27Å; D171-T173 PolarHBondContact O-N 3.28Å; D171-L174 PolarHBondContact O-N 3.28Å; D171-Q175 WeakPolarHBondContact O-CG 3.43Å; D171-Q175 PolarHBondContact O-N 3.13Å
172I93.9Very high92.1Very high50 Ų5056.2 Ų56.226%0.25627%0.268SS..Hα-helixtrans-64.7-35176.764170.9000111.4Y160 N169 Q175 W176Y160-I172 HydrophobicContact CD1-CD1 4.04Å; Y160-I172 HydrophobicContact CD2-CD1 4.5Å; Y160-I172 HydrophobicContact CD2-CG1 4.43Å; Y160-I172 HydrophobicContact CE1-CD1 4.26Å; Y160-I172 HydrophobicContact CG-CD1 4.19Å; N169-I172 HydrophobicContact CB-CD1 3.77Å; N169-I172 HydrophobicContact CB-CG1 3.84Å; N169-I172 VanDerWaalsContact O-CG1 3.23Å; N169-I172 WeakPolarHBondContact O-CG1 3.22Å; I172-Q175 PolarHBondContact O-N 2.97Å; I172-W176 PolarHBondContact O-N 2.86Å
173T94.6Very high90.2Very high0 Ų059.8 Ų59.80%029%0.293CS..Hα-helixtrans-61.4-48.9173.3-66.50000110.6F36 L126 L128 N169 I170 D171 Q175 W176 L177F36-T173 HydrophobicContact CE2-CG2 3.81Å; F36-T173 HydrophobicContact CZ-CG2 3.64Å; L126-T173 HydrophobicContact CD2-CG2 3.86Å; L128-T173 HydrophobicContact CD1-CG2 3.96Å; L128-T173 HydrophobicContact CD2-CG2 4.01Å; N169-T173 WeakPolarHBondContact O-CB 3.48Å; N169-T173 PolarHBondContact O-N 3.29Å; N169-T173 PolarHBondContact O-OG1 2.79Å; I170-T173 WeakPolarHBondContact O-CB 3.42Å; I170-T173 PolarHBondContact O-N 3.09Å; D171-T173 VanDerWaalsContact C-N 3.27Å; D171-T173 PolarHBondContact O-N 3.28Å; T173-Q175 VanDerWaalsContact C-N 3.34Å; T173-Q175 PolarHBondContact O-N 3.32Å; T173-W176 PolarHBondContact O-N 3.34Å; T173-L177 HydrophobicContact CG2-CD1 4.09Å; T173-L177 VanDerWaalsContact O-CG 3.3Å; T173-L177 WeakPolarHBondContact O-CG 3.4Å; T173-L177 PolarHBondContact O-N 2.64Å
174L91.3Very high87.9Confident39 Ų3963.3 Ų63.320%0.20431%0.311CS..Hα-helixtrans-63.7-38.6176.7-75.2175.3000112.3I40 I170 D171 L177 I178I40-L174 HydrophobicContact CD1-CD1 4.16Å; I40-L174 HydrophobicContact CD1-CD2 3.78Å; I40-L174 HydrophobicContact CD1-CG 4.05Å; I40-L174 HydrophobicContact CG1-CD2 4.44Å; I40-L174 HydrophobicContact CG2-CD2 4.38Å; I170-L174 HydrophobicContact CG2-CD1 4.27Å; I170-L174 HydrophobicContact CG2-CG 4.5Å; I170-L174 WeakPolarHBondContact O-CB 3.2Å; I170-L174 VanDerWaalsContact O-CG 3.32Å; I170-L174 WeakPolarHBondContact O-CG 3.43Å; I170-L174 PolarHBondContact O-N 2.86Å; D171-L174 PolarHBondContact O-N 3.28Å; L174-L177 HydrophobicContact CD2-CD1 4.46Å; L174-L177 PolarHBondContact O-N 2.96Å; L174-I178 WeakPolarHBondContact O-CB 3.05Å; L174-I178 WeakPolarHBondContact O-CD1 3.37Å; L174-I178 WeakPolarHBondContact O-CG1 3.43Å; L174-I178 PolarHBondContact O-N 3.19Å
175Q90.5Very high85.2Confident109 Ų10977.3 Ų77.351%0.50936%0.364SS..Hα-helixtrans-62.2-43.3175.8-72.3174.419.500112D171 I172 T173 L177 I178 K179D171-Q175 WeakPolarHBondContact O-CG 3.43Å; D171-Q175 PolarHBondContact O-N 3.13Å; I172-Q175 PolarHBondContact O-N 2.97Å; T173-Q175 VanDerWaalsContact C-N 3.34Å; T173-Q175 PolarHBondContact O-N 3.32Å; Q175-L177 VanDerWaalsContact C-N 3.34Å; Q175-I178 PolarHBondContact O-N 2.99Å; Q175-K179 WeakPolarHBondContact O-CG 3.22Å; Q175-K179 PolarHBondContact O-N 3.25Å
176W93.4Very high84.7Confident12 Ų1276.4 Ų76.45%0.04536%0.361CS..Hα-helixtrans-62.8-42.6175.5-172.995.4000111.3A91 P124 L126 E156 C158 Y160 I172 T173 K179 H180A91-W176 HydrophobicContact CB-CH2 4.21Å; A91-W176 HydrophobicContact CB-CZ3 3.86Å; P124-W176 HydrophobicContact CB-CH2 3.79Å; P124-W176 HydrophobicContact CB-CZ2 4.33Å; L126-W176 HydrophobicContact CB-CE3 3.9Å; L126-W176 HydrophobicContact CB-CH2 4Å; L126-W176 HydrophobicContact CB-CZ3 3.6Å; L126-W176 HydrophobicContact CD1-CD2 4.06Å; L126-W176 HydrophobicContact CD1-CE3 4.13Å; L126-W176 HydrophobicContact CD1-CG 4.4Å; L126-W176 HydrophobicContact CD2-CD2 4.4Å; L126-W176 HydrophobicContact CD2-CE3 3.78Å; L126-W176 HydrophobicContact CD2-CZ3 4.27Å; L126-W176 HydrophobicContact CG-CE3 4.16Å; L126-W176 HydrophobicContact CG-CZ3 4.37Å; E156-W176 HydrophobicContact CG-CZ2 4.27Å; E156-W176 PolarHBondContact OE1-NE1 3.38Å; C158-W176 HydrophobicContact CB-CD2 4.45Å; C158-W176 HydrophobicContact CB-CZ2 4.04Å; Y160-W176 HydrophobicContact CE2-CB 3.88Å; Y160-W176 HydrophobicContact CE2-CG 4.29Å; I172-W176 PolarHBondContact O-N 2.86Å; T173-W176 PolarHBondContact O-N 3.34Å; W176-K179 PolarHBondContact O-N 3.34Å; W176-H180 AromaticContact CD2-CE1 3.81Å; W176-H180 AromaticContact CD2-ND1 3.8Å; W176-H180 AromaticContact CE2-CE1 3.34Å; W176-H180 AromaticContact CE2-ND1 3.81Å; W176-H180 AromaticContact CE3-ND1 3.74Å; W176-H180 AromaticContact CH2-CE1 3.64Å; W176-H180 AromaticContact CH2-ND1 3.81Å; W176-H180 AromaticContact CZ2-CE1 3.27Å; W176-H180 WeakPolarHBondContact CZ2-CE1 3.42Å; W176-H180 AromaticContact CZ2-ND1 3.85Å; W176-H180 AromaticContact CZ2-NE2 3.83Å; W176-H180 AromaticContact CZ3-ND1 3.74Å; W176-H180 AromaticContact NE1-CE1 3.75Å; W176-H180 PolarHBondContact O-ND1 3.37Å
177L91.5Very high84.1Confident1 Ų174.8 Ų74.81%0.00535%0.354CS..Hα-helixtrans-64.5-44177.9-66.9167.7000112M21 L23 F36 A91 I93 L126 T173 L174 Q175 K179 H180 S181M21-L177 HydrophobicContact CE-CB 3.92Å; M21-L177 HydrophobicContact SD-CB 4.02Å; L23-L177 HydrophobicContact CD1-CD1 4Å; L23-L177 HydrophobicContact CD1-CD2 3.96Å; L23-L177 HydrophobicContact CD1-CG 4.45Å; L23-L177 HydrophobicContact CD2-CD2 3.81Å; F36-L177 HydrophobicContact CZ-CD1 4.5Å; A91-L177 HydrophobicContact CB-CD2 4.48Å; I93-L177 HydrophobicContact CD1-CD1 3.95Å; I93-L177 HydrophobicContact CD1-CD2 3.93Å; I93-L177 HydrophobicContact CG1-CD2 4.08Å; L126-L177 HydrophobicContact CD2-CD2 3.97Å; L126-L177 HydrophobicContact CD2-CG 4.05Å; T173-L177 HydrophobicContact CG2-CD1 4.09Å; T173-L177 VanDerWaalsContact O-CG 3.3Å; T173-L177 WeakPolarHBondContact O-CG 3.4Å; T173-L177 PolarHBondContact O-N 2.64Å; L174-L177 HydrophobicContact CD2-CD1 4.46Å; L174-L177 PolarHBondContact O-N 2.96Å; Q175-L177 VanDerWaalsContact C-N 3.34Å; L177-K179 VanDerWaalsContact C-N 3.27Å; L177-K179 PolarHBondContact O-N 3.31Å; L177-H180 CarbonylContact O-C 3.59Å; L177-H180 WeakPolarHBondContact O-CA 3.4Å; L177-H180 WeakPolarHBondContact O-CB 3.33Å; L177-H180 PolarHBondContact O-N 2.6Å; L177-S181 PolarHBondContact O-N 3.01Å
178I86.8Confident83.6Confident84 Ų8474 Ų7443%0.43135%0.351SS..Hα-helixtrans-61.6-34.7179-70.6163.4000111.5L174 Q175 H180 S181L174-I178 WeakPolarHBondContact O-CB 3.05Å; L174-I178 WeakPolarHBondContact O-CD1 3.37Å; L174-I178 WeakPolarHBondContact O-CG1 3.43Å; L174-I178 PolarHBondContact O-N 3.19Å; Q175-I178 PolarHBondContact O-N 2.99Å; I178-H180 PolarHBondContact O-N 3.27Å; I178-H180 VanDerWaalsContact O-N 3.12Å; I178-S181 WeakPolarHBondContact O-CB 3.29Å; I178-S181 PolarHBondContact O-N 3.13Å; I178-S181 PolarHBondContact O-OG 2.78Å
179K87.4Confident82.8Confident169 Ų16973.4 Ų73.474%0.73535%0.348SS*.Hα-helixtrans-61-20.8174.1-71.1171.9-176.8177.40113.4Q175 W176 L177Q175-K179 WeakPolarHBondContact O-CG 3.22Å; Q175-K179 PolarHBondContact O-N 3.25Å; W176-K179 PolarHBondContact O-N 3.34Å; L177-K179 VanDerWaalsContact C-N 3.27Å; L177-K179 PolarHBondContact O-N 3.31Å
180H89.8Confident81.9Confident34 Ų3474.9 Ų74.916%0.15735%0.353CS..THydrogen-bonded Turntrans-102.14.4178.5-65.888.9000113.1N90 E156 W176 L177 I178N90-H180 PolarHBondContact ND2-O 3.29Å; E156-H180 IonicContact OE1-CE1 3.63Å; E156-H180 PolarHBondContact OE1-CE1 3.38Å; E156-H180 IonicContact OE1-NE2 2.68Å; E156-H180 IonicContact OE2-CE1 3.31Å; E156-H180 IonicContact OE2-NE2 3.66Å; E156-H180 PolarHBondContact OE2-NE2 2.87Å; W176-H180 AromaticContact CD2-CE1 3.81Å; W176-H180 AromaticContact CD2-ND1 3.8Å; W176-H180 AromaticContact CE2-CE1 3.34Å; W176-H180 AromaticContact CE2-ND1 3.81Å; W176-H180 AromaticContact CE3-ND1 3.74Å; W176-H180 AromaticContact CH2-CE1 3.64Å; W176-H180 AromaticContact CH2-ND1 3.81Å; W176-H180 AromaticContact CZ2-CE1 3.27Å; W176-H180 WeakPolarHBondContact CZ2-CE1 3.42Å; W176-H180 AromaticContact CZ2-ND1 3.85Å; W176-H180 AromaticContact CZ2-NE2 3.83Å; W176-H180 AromaticContact CZ3-ND1 3.74Å; W176-H180 AromaticContact NE1-CE1 3.75Å; W176-H180 PolarHBondContact O-ND1 3.37Å; L177-H180 CarbonylContact O-C 3.59Å; L177-H180 WeakPolarHBondContact O-CA 3.4Å; L177-H180 WeakPolarHBondContact O-CB 3.33Å; L177-H180 PolarHBondContact O-N 2.6Å; I178-H180 PolarHBondContact O-N 3.27Å; I178-H180 VanDerWaalsContact O-N 3.12Å
181S84.1Confident81Confident23 Ų2378.9 Ų78.916%0.16137%0.372CS..PPolyproline II helixtrans-63141.3171.1740000109.3E19 L177 I178E19-S181 PolarHBondContact OE2-OG 3.37Å; L177-S181 PolarHBondContact O-N 3.01Å; I178-S181 WeakPolarHBondContact O-CB 3.29Å; I178-S181 PolarHBondContact O-N 3.13Å; I178-S181 PolarHBondContact O-OG 2.78Å
182K71.8Confident80.3Confident127 Ų12777.9 Ų77.955%0.55236%0.363SS*.BIsolated β-bridgetrans-83122.5167.5-81168.6-173.6173.10106.8N90 N184N90-K182 WeakPolarHBondContact ND2-CG 3.46Å; N90-K182 PolarHBondContact ND2-N 2.79Å; K182-N184 PolarHBondContact O-N 3.31Å
183S58.3Low79.2Confident75 Ų7580.1 Ų80.152%0.52437%0.371SS..PPolyproline II helixtrans-65.8124.1153.9-1560000106.5R185S183-R185 VanDerWaalsContact C-N 3.29Å; S183-R185 PolarHBondContact O-N 3.26Å
184N49.8Very low77.9Confident73 Ų7386.8 Ų86.839%0.3940%0.402SS..  trans-60.499.9168.1-85.1-34.7000106.5W17 K18 K182W17-N184 HydrophobicContact CE3-CB 4.27Å; K18-N184 PolarHBondContact O-ND2 3.36Å; K182-N184 PolarHBondContact O-N 3.31Å
185R40.5Very low76.7Confident295 Ų29591.1 Ų91.1100%1.11342%0.42SS*.  trans-82.50179.5-159.5-179.2-173.2-173.82.8110.6S183S183-R185 VanDerWaalsContact C-N 3.29Å; S183-R185 PolarHBondContact O-N 3.26Å

Retrieved 185 of 185 residues in 39.4 ms (Link to these results)

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