A0A087XIZ0_POEFO Loading...

2'-deoxynucleoside 5'-phosphate N-hydrolase 1

Catalyzes the cleavage of the N-glycosidic bond of deoxyribonucleoside 5'-monophosphates to yield deoxyribose 5-phosphate and a purine or pyrimidine base. Deoxyribonucleoside 5'-monophosphates containing purine bases are preferred to those containing pyrimidine bases.

AlphaFold DB , UniProt , Accession A0A087XIZ0, Species POEFO (Poecilia formosa, Amazon molly), Gene DNPH1, Length 166 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
1E55.1Low68.7Low208 Ų208118.4 Ų118.497%0.97259%0.593SS**  0-59.50-81.317514900114.1D3 E4 D5E1-D3 VanDerWaalsContact C-N 3.3Å; E1-D3 PolarHBondContact O-N 3.22Å; E1-E4 PolarHBondContact O-N 2.73Å; E1-E4 VanDerWaalsContact O-N 3.15Å; E1-D5 PolarHBondContact O-N 3.2Å
2A58.8Low68.7Low83 Ų83113.3 Ų113.369%0.68658%0.583SS**Hα-helixtrans-60.7-29.9-177.600000115.6S6A2-S6 WeakPolarHBondContact O-CB 3.47Å; A2-S6 PolarHBondContact O-N 2.79Å; A2-S6 PolarHBondContact O-OG 3.27Å
3D64.7Low68.6Low96 Ų96111.9 Ų111.951%0.51358%0.583SS.*Hα-helixtrans-76-27.2178.1-167.447.5000112.9E1 R7E1-D3 VanDerWaalsContact C-N 3.3Å; E1-D3 PolarHBondContact O-N 3.22Å; D3-R7 VanDerWaalsContact O-CG 3.27Å; D3-R7 WeakPolarHBondContact O-CG 3.48Å; D3-R7 PolarHBondContact O-N 3.09Å; D3-R7 IonicContact OD1-NE 2.93Å; D3-R7 IonicContact OD2-CZ 3.28Å; D3-R7 IonicContact OD2-NE 2.73Å; D3-R7 PolarHBondContact OD2-NE 3.37Å; D3-R7 VanDerWaalsContact OD2-NE 3.15Å; D3-R7 IonicContact OD2-NH2 3.8Å; D3-R7 PolarHBondContact OD2-NH2 3.36Å
4E67.1Low68.4Low149 Ų149113.2 Ų113.270%0.69658%0.576SS**Hα-helixtrans-83.1-38.7-175.6-146.2167.8-169.300111.6E1 R7 S8E1-E4 PolarHBondContact O-N 2.73Å; E1-E4 VanDerWaalsContact O-N 3.15Å; E4-R7 PolarHBondContact O-N 3.15Å; E4-S8 WeakPolarHBondContact O-CB 3.26Å; E4-S8 PolarHBondContact O-N 2.91Å
5D73.3Confident68.3Low75 Ų75111.9 Ų111.940%0.40157%0.571SS.*Hα-helixtrans-67.2-34.7171.4-171.935.3000111.9E1 S8 R9E1-D5 PolarHBondContact O-N 3.2Å; D5-S8 PolarHBondContact O-N 3.48Å; D5-S8 PolarHBondContact O-OG 3.43Å; D5-R9 WeakPolarHBondContact O-CB 3.49Å; D5-R9 VanDerWaalsContact O-CG 3.26Å; D5-R9 WeakPolarHBondContact O-CG 3.45Å; D5-R9 PolarHBondContact O-N 3.08Å; D5-R9 VanDerWaalsContact O-N 3.09Å; D5-R9 IonicContact OD1-CZ 3.98Å; D5-R9 IonicContact OD1-NE 3.85Å; D5-R9 PolarHBondContact OD1-NE 2.77Å; D5-R9 IonicContact OD1-NH2 3.8Å; D5-R9 IonicContact OD2-CZ 3.22Å; D5-R9 IonicContact OD2-NE 3.07Å; D5-R9 PolarHBondContact OD2-NE 3.15Å; D5-R9 IonicContact OD2-NH2 2.73Å; D5-R9 PolarHBondContact OD2-NH2 3.43Å
6S72.1Confident67.9Low62 Ų62112.7 Ų112.743%0.43457%0.572SS.*Hα-helixtrans-66.8-43174.6-60.90000111.9A2 L10A2-S6 WeakPolarHBondContact O-CB 3.47Å; A2-S6 PolarHBondContact O-N 2.79Å; A2-S6 PolarHBondContact O-OG 3.27Å; S6-L10 WeakPolarHBondContact O-CD1 3.44Å; S6-L10 WeakPolarHBondContact O-CG 3.27Å; S6-L10 PolarHBondContact O-N 2.92Å; S6-L10 VanDerWaalsContact O-N 3.08Å
7R75.4Confident67.7Low153 Ų153109.5 Ų109.558%0.57757%0.567SS**Hα-helixtrans-67.2-36.5175.8-73174.6-167.6-160.26.3112.8D3 E4 K11D3-R7 VanDerWaalsContact O-CG 3.27Å; D3-R7 WeakPolarHBondContact O-CG 3.48Å; D3-R7 PolarHBondContact O-N 3.09Å; D3-R7 IonicContact OD1-NE 2.93Å; D3-R7 IonicContact OD2-CZ 3.28Å; D3-R7 IonicContact OD2-NE 2.73Å; D3-R7 PolarHBondContact OD2-NE 3.37Å; D3-R7 VanDerWaalsContact OD2-NE 3.15Å; D3-R7 IonicContact OD2-NH2 3.8Å; D3-R7 PolarHBondContact OD2-NH2 3.36Å; E4-R7 PolarHBondContact O-N 3.15Å; R7-K11 VanDerWaalsContact O-CG 3.32Å; R7-K11 WeakPolarHBondContact O-CG 3.44Å; R7-K11 PolarHBondContact O-N 3.22Å
8S74.8Confident67.5Low59 Ų59107.4 Ų107.441%0.41355%0.551SS.*Hα-helixtrans-67.4-42.6178.276.20000111.3E4 D5 K11 A12E4-S8 WeakPolarHBondContact O-CB 3.26Å; E4-S8 PolarHBondContact O-N 2.91Å; D5-S8 PolarHBondContact O-N 3.48Å; D5-S8 PolarHBondContact O-OG 3.43Å; S8-K11 PolarHBondContact O-N 2.99Å; S8-A12 PolarHBondContact O-N 2.94Å
9R75.6Confident67.5Low160 Ų160106 Ų10660%0.60455%0.551SS**Hα-helixtrans-64.1-43.5175.6-70.7175.1-168.5-159.95.4112.4D5 K11 A12 V13D5-R9 WeakPolarHBondContact O-CB 3.49Å; D5-R9 VanDerWaalsContact O-CG 3.26Å; D5-R9 WeakPolarHBondContact O-CG 3.45Å; D5-R9 PolarHBondContact O-N 3.08Å; D5-R9 VanDerWaalsContact O-N 3.09Å; D5-R9 IonicContact OD1-CZ 3.98Å; D5-R9 IonicContact OD1-NE 3.85Å; D5-R9 PolarHBondContact OD1-NE 2.77Å; D5-R9 IonicContact OD1-NH2 3.8Å; D5-R9 IonicContact OD2-CZ 3.22Å; D5-R9 IonicContact OD2-NE 3.07Å; D5-R9 PolarHBondContact OD2-NE 3.15Å; D5-R9 IonicContact OD2-NH2 2.73Å; D5-R9 PolarHBondContact OD2-NH2 3.43Å; R9-K11 VanDerWaalsContact C-N 3.33Å; R9-K11 PolarHBondContact O-N 3.19Å; R9-A12 PolarHBondContact O-N 3.45Å; R9-V13 WeakPolarHBondContact O-CG2 3.33Å; R9-V13 PolarHBondContact O-N 3.26Å
10L69.8Low68.3Low125 Ų125110.4 Ų110.465%0.65456%0.56SS**Hα-helixtrans-60.5-41.7174.7-76.1163.5000111.9S6 R14S6-L10 WeakPolarHBondContact O-CD1 3.44Å; S6-L10 WeakPolarHBondContact O-CG 3.27Å; S6-L10 PolarHBondContact O-N 2.92Å; S6-L10 VanDerWaalsContact O-N 3.08Å; L10-R14 VanDerWaalsContact O-CB 3.29Å; L10-R14 WeakPolarHBondContact O-CB 3.32Å; L10-R14 PolarHBondContact O-N 2.93Å
11K68.6Low69.5Low132 Ų132106.8 Ų106.857%0.57454%0.542SS*.Hα-helixtrans-63.5-41.6174.5-75.1176.5-178-178.30112.2R7 S8 R9 R14 N15R7-K11 VanDerWaalsContact O-CG 3.32Å; R7-K11 WeakPolarHBondContact O-CG 3.44Å; R7-K11 PolarHBondContact O-N 3.22Å; S8-K11 PolarHBondContact O-N 2.99Å; R9-K11 VanDerWaalsContact C-N 3.33Å; R9-K11 PolarHBondContact O-N 3.19Å; K11-R14 PolarHBondContact O-N 3.07Å; K11-N15 WeakPolarHBondContact O-CB 3.38Å; K11-N15 VanDerWaalsContact O-CG 3.27Å; K11-N15 PolarHBondContact O-N 2.95Å
12A69Low71.5Confident57 Ų57100.4 Ų100.447%0.47151%0.51SS..Hα-helixtrans-65.1-46.9178.900000112.1S8 R9 R14 N15 Q16S8-A12 PolarHBondContact O-N 2.94Å; R9-A12 PolarHBondContact O-N 3.45Å; A12-R14 VanDerWaalsContact C-N 3.32Å; A12-R14 PolarHBondContact O-N 3.3Å; A12-N15 PolarHBondContact O-N 2.86Å; A12-Q16 WeakPolarHBondContact O-CB 3.29Å; A12-Q16 PolarHBondContact O-N 3.3Å
13V67Low73.3Confident96 Ų9696.4 Ų96.458%0.58248%0.478SS*.Hα-helixtrans-60.8-42.6175.5173.20000110.8R9 N15 Q16 A17R9-V13 WeakPolarHBondContact O-CG2 3.33Å; R9-V13 PolarHBondContact O-N 3.26Å; V13-N15 PolarHBondContact O-N 3.5Å; V13-Q16 PolarHBondContact O-N 3.43Å; V13-A17 WeakPolarHBondContact O-CB 3.42Å; V13-A17 PolarHBondContact O-N 2.99Å
14R66.6Low74.9Confident130 Ų13092 Ų9249%0.49145%0.454SS..Hα-helixtrans-64.3-40.6177.4-165.5175.776169.97.5112.5L10 K11 A12 A17 R18L10-R14 VanDerWaalsContact O-CB 3.29Å; L10-R14 WeakPolarHBondContact O-CB 3.32Å; L10-R14 PolarHBondContact O-N 2.93Å; K11-R14 PolarHBondContact O-N 3.07Å; A12-R14 VanDerWaalsContact C-N 3.32Å; A12-R14 PolarHBondContact O-N 3.3Å; R14-A17 PolarHBondContact O-N 3.16Å; R14-R18 WeakPolarHBondContact O-CG 3.4Å; R14-R18 PolarHBondContact O-N 3.02Å
15N66.2Low76.4Confident94 Ų9484.9 Ų84.950%0.50342%0.421SS..Hα-helixtrans-67.8-36.6176.3-74.4-8.6000111.9K11 A12 V13 R18 S19K11-N15 WeakPolarHBondContact O-CB 3.38Å; K11-N15 VanDerWaalsContact O-CG 3.27Å; K11-N15 PolarHBondContact O-N 2.95Å; A12-N15 PolarHBondContact O-N 2.86Å; V13-N15 PolarHBondContact O-N 3.5Å; N15-R18 PolarHBondContact O-N 3.37Å; N15-S19 PolarHBondContact O-N 2.92Å
16Q62.4Low77.6Confident124 Ų12481.3 Ų81.358%0.57940%0.402SS*.Hα-helixtrans-70.9-34175.3-167.9173.916.800112.6A12 V13 S19 R20A12-Q16 WeakPolarHBondContact O-CB 3.29Å; A12-Q16 PolarHBondContact O-N 3.3Å; V13-Q16 PolarHBondContact O-N 3.43Å; Q16-S19 PolarHBondContact O-N 3.08Å; Q16-S19 PolarHBondContact O-OG 3.42Å; Q16-R20 WeakPolarHBondContact O-CG 3.36Å; Q16-R20 PolarHBondContact O-N 3.46Å
17A63.7Low78.9Confident59 Ų5978.7 Ų78.749%0.48838%0.384SS..Hα-helixtrans-65.4-41.2171.200000111.4V13 R14 R20 M21V13-A17 WeakPolarHBondContact O-CB 3.42Å; V13-A17 PolarHBondContact O-N 2.99Å; R14-A17 PolarHBondContact O-N 3.16Å; A17-R20 PolarHBondContact O-N 3.01Å; A17-R20 VanDerWaalsContact O-N 3.16Å; A17-M21 PolarHBondContact O-N 3.29Å
18R65.6Low79.9Confident72 Ų7271.4 Ų71.427%0.27236%0.357SS..Hα-helixtrans-60-45.8172.6-72.817782.8168.510.7111.7R14 N15 R20 M21 R48 G50R14-R18 WeakPolarHBondContact O-CG 3.4Å; R14-R18 PolarHBondContact O-N 3.02Å; N15-R18 PolarHBondContact O-N 3.37Å; R18-R20 PolarHBondContact O-N 2.77Å; R18-R20 VanDerWaalsContact O-N 3.08Å; R18-M21 PolarHBondContact O-N 3.02Å; R18-R48 PolarHBondContact NH2-O 3.43Å; R18-G50 WeakPolarHBondContact O-CA 3.43Å
19S67.3Low80.7Confident80 Ų8069.9 Ų69.956%0.55934%0.344SS*.THydrogen-bonded Turntrans-67.2-10.6178.778.10000114.1N15 Q16N15-S19 PolarHBondContact O-N 2.92Å; Q16-S19 PolarHBondContact O-N 3.08Å; Q16-S19 PolarHBondContact O-OG 3.42Å
20R82.6Confident81.5Confident193 Ų19369.6 Ų69.673%0.72834%0.343SS*.THydrogen-bonded Turntrans-101.3-13.5178.3-76.6-177.465.8148.41.2114Q16 A17 R18 K22Q16-R20 WeakPolarHBondContact O-CG 3.36Å; Q16-R20 PolarHBondContact O-N 3.46Å; A17-R20 PolarHBondContact O-N 3.01Å; A17-R20 VanDerWaalsContact O-N 3.16Å; R18-R20 PolarHBondContact O-N 2.77Å; R18-R20 VanDerWaalsContact O-N 3.08Å; R20-K22 PolarHBondContact O-N 3.17Å
21M93.5Very high82.5Confident36 Ų3665.1 Ų65.118%0.17733%0.327CS..  trans-64.7129.2-178.9-175.1178.2-69.800109.9A17 R18 I23 G50 S51 D89 V90 F160 L163A17-M21 PolarHBondContact O-N 3.29Å; R18-M21 PolarHBondContact O-N 3.02Å; M21-I23 HydrophobicContact CG-CG1 4.24Å; M21-I23 HydrophobicContact SD-CG1 4.39Å; M21-G50 CarbonylContact O-C 3.43Å; M21-G50 WeakPolarHBondContact O-CA 3.14Å; M21-S51 PolarHBondContact O-N 3.25Å; M21-D89 WeakPolarHBondContact CA-OD2 3.4Å; M21-D89 HydrophobicContact CG-CB 4.13Å; M21-V90 HydrophobicContact CG-CG2 4.49Å; M21-V90 HydrophobicContact SD-CG2 3.95Å; M21-F160 HydrophobicContact SD-CD1 3.78Å; M21-F160 HydrophobicContact SD-CE1 3.63Å; M21-L163 HydrophobicContact CE-CD1 4.5Å
22K96.8Very high83.6Confident73 Ų7359.9 Ų59.932%0.31731%0.31SS..EExtended strand (participates in β ladder)trans-98.9123.7174.1-69.4179.3175.9-174.50109.7R20 S51 L53 Q87 S88 D89 V90R20-K22 PolarHBondContact O-N 3.17Å; K22-S51 WeakPolarHBondContact CA-O 3.43Å; K22-L53 HydrophobicContact CB-CD1 4.19Å; K22-L53 HydrophobicContact CB-CD2 4.42Å; K22-L53 HydrophobicContact CB-CG 4.36Å; K22-L53 HydrophobicContact CD-CD1 4.49Å; K22-L53 HydrophobicContact CD-CD2 4.38Å; K22-L53 HydrophobicContact CG-CD2 4.32Å; K22-Q87 HydrophobicContact CD-CB 4.41Å; K22-Q87 VanDerWaalsContact CD-O 3.29Å; K22-Q87 WeakPolarHBondContact CD-O 3.24Å; K22-S88 CarbonylContact O-C 3.5Å; K22-D89 PolarHBondContact N-OD2 3.12Å; K22-D89 PolarHBondContact O-N 3Å; K22-V90 PolarHBondContact O-N 2.93Å
23I98.2Very high84.7Confident0 Ų058.5 Ų58.50%029%0.293CS..EExtended strand (participates in β ladder)trans-111.5127.6-177.9-57.8167.3000108.2M21 L46 S51 V52 L53 V92 F160M21-I23 HydrophobicContact CG-CG1 4.24Å; M21-I23 HydrophobicContact SD-CG1 4.39Å; I23-L46 HydrophobicContact CD1-CB 4.27Å; I23-L46 HydrophobicContact CD1-CD2 4.46Å; I23-L46 WeakPolarHBondContact CD1-O 3.46Å; I23-L46 HydrophobicContact CG2-CD1 4.06Å; I23-L46 HydrophobicContact CG2-CD2 4.34Å; I23-S51 PolarHBondContact N-O 2.78Å; I23-V52 HydrophobicContact CB-CG2 4.49Å; I23-V52 CarbonylContact O-C 3.59Å; I23-V52 WeakPolarHBondContact O-CA 3.31Å; I23-L53 PolarHBondContact O-N 2.88Å; I23-V92 HydrophobicContact CG2-CG2 4.16Å; I23-F160 HydrophobicContact CD1-CE1 3.94Å; I23-F160 HydrophobicContact CD1-CZ 3.8Å; I23-F160 HydrophobicContact CG1-CE1 4.31Å; I23-F160 HydrophobicContact CG1-CZ 4.37Å
24Y98.5Very high85.9Confident2 Ų258.2 Ų58.21%0.00830%0.295CS..EExtended strand (participates in β ladder)trans-98.2115.9169.4-166.6-79.6000108.7C26 T54 D81 W84 L85 V90 V91 V92 E105Y24-C26 VanDerWaalsContact CD1-SG 3.6Å; Y24-C26 VanDerWaalsContact CE1-SG 3.55Å; Y24-T54 HydrophobicContact CD1-CG2 4.36Å; Y24-T54 HydrophobicContact CD2-CG2 3.74Å; Y24-T54 HydrophobicContact CE1-CG2 4.04Å; Y24-T54 HydrophobicContact CE2-CG2 3.38Å; Y24-T54 HydrophobicContact CG-CG2 4.23Å; Y24-D81 VanDerWaalsContact CE2-O 3.3Å; Y24-D81 WeakPolarHBondContact CE2-O 3.44Å; Y24-D81 WeakPolarHBondContact OH-CB 3.48Å; Y24-W84 HydrophobicContact CD2-CB 3.91Å; Y24-W84 HydrophobicContact CE2-CB 3.76Å; Y24-L85 HydrophobicContact CD1-CD1 3.85Å; Y24-L85 VanDerWaalsContact CD2-CA 3.49Å; Y24-L85 HydrophobicContact CD2-CB 3.96Å; Y24-L85 HydrophobicContact CD2-CD1 4.17Å; Y24-L85 HydrophobicContact CE1-CD1 4.22Å; Y24-L85 HydrophobicContact CE2-CB 3.84Å; Y24-L85 HydrophobicContact CE2-CD1 4.5Å; Y24-L85 HydrophobicContact CG-CB 4.47Å; Y24-L85 HydrophobicContact CG-CD1 3.81Å; Y24-V90 PolarHBondContact N-O 3.05Å; Y24-V91 HydrophobicContact CD1-CG1 4.48Å; Y24-V91 CarbonylContact O-C 3.57Å; Y24-V91 VanDerWaalsContact O-CA 3.31Å; Y24-V91 WeakPolarHBondContact O-CA 3.07Å; Y24-V92 PolarHBondContact O-N 3.33Å; Y24-E105 HydrophobicContact CE1-CG 4.4Å; Y24-E105 WeakPolarHBondContact CE1-OE1 3.45Å; Y24-E105 PolarHBondContact OH-OE1 3.38Å
25F98.6Very high87.3Confident0 Ų052.9 Ų52.90%028%0.276CS..EExtended strand (participates in β ladder)trans-97.3128.6177178.4-107.3000111.1Y39 I42 V43 L46 V52 T54 V57 V92 E94F25-Y39 HydrophobicContact CE1-CD1 4.31Å; F25-Y39 HydrophobicContact CE1-CG 4.09Å; F25-Y39 AromaticContact CZ-CD1 3.92Å; F25-Y39 HydrophobicContact CZ-CD1 3.92Å; F25-Y39 HydrophobicContact CZ-CG 4.16Å; F25-I42 HydrophobicContact CD2-CG2 3.91Å; F25-I42 HydrophobicContact CE2-CB 4.1Å; F25-I42 HydrophobicContact CE2-CD1 4.23Å; F25-I42 HydrophobicContact CE2-CG2 3.45Å; F25-I42 VanDerWaalsContact CE2-CG2 3.45Å; F25-I42 HydrophobicContact CZ-CB 4.28Å; F25-I42 HydrophobicContact CZ-CD1 4.22Å; F25-I42 HydrophobicContact CZ-CG2 4.13Å; F25-V43 HydrophobicContact CB-CG2 4.44Å; F25-V43 HydrophobicContact CD1-CG2 3.63Å; F25-V43 HydrophobicContact CE1-CG2 4.06Å; F25-V43 HydrophobicContact CG-CG2 4.02Å; F25-L46 HydrophobicContact CB-CD1 4.12Å; F25-L46 HydrophobicContact CD2-CD1 3.81Å; F25-L46 HydrophobicContact CG-CD1 4.21Å; F25-V52 HydrophobicContact CB-CG1 4Å; F25-T54 WeakPolarHBondContact CA-OG1 3.34Å; F25-T54 PolarHBondContact N-OG1 3.04Å; F25-T54 WeakPolarHBondContact O-CB 3.35Å; F25-T54 PolarHBondContact O-OG1 3.42Å; F25-V57 HydrophobicContact CD1-CB 4.37Å; F25-V57 HydrophobicContact CD1-CG1 4.26Å; F25-V57 HydrophobicContact CE1-CG1 4.13Å; F25-V92 CarbonylContact C-O 3.52Å; F25-V92 VanDerWaalsContact CA-O 3.24Å; F25-V92 WeakPolarHBondContact CA-O 3.28Å; F25-V92 HydrophobicContact CD2-CB 4.39Å; F25-V92 HydrophobicContact CD2-CG1 4.33Å; F25-V92 VanDerWaalsContact CD2-O 3.3Å; F25-V92 WeakPolarHBondContact CD2-O 2.86Å; F25-E94 HydrophobicContact CE2-CB 4.41Å; F25-E94 HydrophobicContact CZ-CB 4.24Å
26C98.3Very high88.7Confident1 Ų150.1 Ų50.11%0.00726%0.26CS..EExtended strand (participates in β ladder)trans-107.4131.6174.4-57.20000109.9Y24 V92 A93 E94 V102 E105Y24-C26 VanDerWaalsContact CD1-SG 3.6Å; Y24-C26 VanDerWaalsContact CE1-SG 3.55Å; C26-V92 PolarHBondContact N-O 2.96Å; C26-A93 HydrophobicContact CB-CB 3.67Å; C26-A93 WeakPolarHBondContact O-CA 3.47Å; C26-E94 PolarHBondContact O-N 2.9Å; C26-V102 HydrophobicContact CB-CG1 3.96Å; C26-V102 HydrophobicContact CB-CG2 4.19Å; C26-E105 WeakPolarHBondContact CB-OE2 3.29Å; C26-E105 PolarHBondContact SG-OE2 3.29Å
27G97.5Very high90.3Very high6 Ų651.5 Ų51.56%0.06227%0.267CS..  trans-149.1151.1173.600000110.2I29 V102G27-I29 PolarHBondContact O-N 3Å; G27-V102 VanDerWaalsContact C-CG2 3.49Å; G27-V102 WeakPolarHBondContact O-CG2 3.48Å
28S96.7Very high91.9Very high0 Ų049.1 Ų49.10%025%0.246CC..  trans-65.6129.8179.3174.80000111.5G31 G32 Y39 Q97S28-G31 VanDerWaalsContact OG-CA 3.28Å; S28-G31 WeakPolarHBondContact OG-CA 3.17Å; S28-G32 CarbonylContact C-O 3.57Å; S28-G32 WeakPolarHBondContact CB-O 3.26Å; S28-G32 PolarHBondContact OG-N 3.02Å; S28-G32 PolarHBondContact OG-O 3.38Å; S28-Y39 WeakPolarHBondContact CB-OH 3.36Å; S28-Y39 PolarHBondContact N-OH 3.37Å; S28-Y39 VanDerWaalsContact N-OH 3.1Å; S28-Y39 VanDerWaalsContact O-CE2 3.3Å; S28-Y39 WeakPolarHBondContact O-CE2 3.21Å; S28-Q97 WeakPolarHBondContact OG-CG 3.45Å
29I92.8Very high93.5Very high28 Ų2845.7 Ų45.714%0.14423%0.233CC..SBendtrans-110.6-83.1170.9-56.4-178.6000109G27 G31 G32 R33 V57 L62 G66G27-I29 PolarHBondContact O-N 3Å; I29-G31 PolarHBondContact O-N 3.36Å; I29-G31 VanDerWaalsContact O-N 3.16Å; I29-G32 CarbonylContact O-C 3.4Å; I29-G32 PolarHBondContact O-N 2.64Å; I29-R33 WeakPolarHBondContact O-CG 3.29Å; I29-V57 HydrophobicContact CD1-CB 4.48Å; I29-V57 HydrophobicContact CD1-CG1 4.36Å; I29-V57 HydrophobicContact CD1-CG2 4.23Å; I29-V57 HydrophobicContact CG1-CG1 4.23Å; I29-L62 HydrophobicContact CD1-CD1 4.21Å; I29-G66 VanDerWaalsContact CG2-CA 3.42Å
30R91.8Very high94.9Very high154 Ų15445.2 Ų45.258%0.58122%0.222SC*.THydrogen-bonded Turntrans-66.3-16.4179.4-64.4-177.2-179.5166.45.4113.8G32 D64 S65 D74R30-G32 PolarHBondContact O-N 3.07Å; R30-D64 WeakPolarHBondContact CA-O 3.49Å; R30-S65 PolarHBondContact NE-O 2.92Å; R30-D74 IonicContact CZ-OD1 3.3Å; R30-D74 IonicContact NH1-OD1 3.74Å; R30-D74 PolarHBondContact NH1-OD1 3.35Å; R30-D74 IonicContact NH1-OD2 2.98Å; R30-D74 IonicContact NH2-OD1 3.02Å; R30-D74 PolarHBondContact NH2-OD1 2.81Å
31G90.8Very high95.6Very high31 Ų3141.4 Ų41.432%0.3221%0.207SC..THydrogen-bonded Turntrans-77.7-4.517200000113.8S28 I29 Q97S28-G31 VanDerWaalsContact OG-CA 3.28Å; S28-G31 WeakPolarHBondContact OG-CA 3.17Å; I29-G31 PolarHBondContact O-N 3.36Å; I29-G31 VanDerWaalsContact O-N 3.16Å; G31-Q97 PolarHBondContact O-NE2 3.09Å
32G91.1Very high95.8Very high22 Ų2239.7 Ų39.723%0.22720%0.199CC..  trans121.9140.8-176.300000111.6S28 I29 R30S28-G32 CarbonylContact C-O 3.57Å; S28-G32 WeakPolarHBondContact CB-O 3.26Å; S28-G32 PolarHBondContact OG-N 3.02Å; S28-G32 PolarHBondContact OG-O 3.38Å; I29-G32 CarbonylContact O-C 3.4Å; I29-G32 PolarHBondContact O-N 2.64Å; R30-G32 PolarHBondContact O-N 3.07Å
33R92.5Very high95.9Very high27 Ų2736.3 Ų36.310%0.10218%0.184CC..  trans-111.620.5-176.9-61.8-171.765.868.30.9114.5I29 D35 Q36 V57 S59 L62 S63 D64I29-R33 WeakPolarHBondContact O-CG 3.29Å; R33-D35 PolarHBondContact O-N 2.88Å; R33-Q36 WeakPolarHBondContact O-CB 3.39Å; R33-Q36 PolarHBondContact O-N 2.92Å; R33-Q36 VanDerWaalsContact O-N 3.08Å; R33-V57 PolarHBondContact NH1-O 3.2Å; R33-V57 PolarHBondContact NH2-O 3.24Å; R33-V57 VanDerWaalsContact NH2-O 3.15Å; R33-S59 PolarHBondContact NH2-O 3.13Å; R33-L62 PolarHBondContact NE-O 2.88Å; R33-S63 WeakPolarHBondContact CD-O 3.38Å; R33-D64 WeakPolarHBondContact CB-OD1 3.27Å; R33-D64 WeakPolarHBondContact CD-OD1 3.43Å; R33-D64 VanDerWaalsContact CG-OD1 3.23Å; R33-D64 WeakPolarHBondContact CG-OD1 3.39Å
34S93.3Very high95.8Very high90 Ų9040.2 Ų40.263%0.62921%0.205SC*.THydrogen-bonded Turntrans-56.2-25.8179.558.80000113.9
35D95.3Very high95.8Very high18 Ų1842.1 Ų42.110%0.09621%0.214CC..THydrogen-bonded Turntrans-99.913.6-175.5-684.9000112.6R33 E37 L38 Y39 R122R33-D35 PolarHBondContact O-N 2.88Å; D35-E37 PolarHBondContact O-N 3.18Å; D35-L38 CarbonylContact O-C 3.57Å; D35-L38 WeakPolarHBondContact O-CA 3.44Å; D35-L38 WeakPolarHBondContact O-CB 3.23Å; D35-L38 PolarHBondContact O-N 2.89Å; D35-Y39 HydrophobicContact CB-CD1 4.12Å; D35-Y39 HydrophobicContact CB-CE1 3.46Å; D35-Y39 VanDerWaalsContact CB-CE1 3.46Å; D35-Y39 HydrophobicContact CB-CE2 4.19Å; D35-Y39 VanDerWaalsContact O-CD1 3.32Å; D35-Y39 WeakPolarHBondContact O-CD1 3.33Å; D35-Y39 VanDerWaalsContact O-CG 3.27Å; D35-Y39 PolarHBondContact O-N 3.24Å; D35-R122 IonicContact OD1-NH2 3.3Å; D35-R122 PolarHBondContact OD1-NH2 2.73Å; D35-R122 IonicContact OD2-CZ 3.16Å; D35-R122 VanDerWaalsContact OD2-CZ 3.3Å; D35-R122 IonicContact OD2-NH1 3.32Å; D35-R122 PolarHBondContact OD2-NH1 2.93Å; D35-R122 IonicContact OD2-NH2 3.62Å; D35-R122 PolarHBondContact OD2-NH2 3.48Å
36Q95.5Very high95.7Very high36 Ų3642.1 Ų42.117%0.16821%0.214CC..Hα-helixtrans-57.2-43.6-174.6178.7-81.3-39.100113.3R33 L38 Y39 Q40 A58R33-Q36 WeakPolarHBondContact O-CB 3.39Å; R33-Q36 PolarHBondContact O-N 2.92Å; R33-Q36 VanDerWaalsContact O-N 3.08Å; Q36-L38 VanDerWaalsContact C-N 3.27Å; Q36-L38 PolarHBondContact O-N 3.18Å; Q36-Y39 WeakPolarHBondContact O-CB 3.46Å; Q36-Y39 PolarHBondContact O-N 3.27Å; Q36-Y39 VanDerWaalsContact O-N 3.15Å; Q36-Q40 PolarHBondContact O-N 3.4Å; Q36-A58 PolarHBondContact NE2-O 2.78Å
37E96.3Very high95.6Very high154 Ų15446.1 Ų46.172%0.7223%0.233SC*.Hα-helixtrans-61.9-38.2177.1-67-176.3176.600111.9D35 Q40 R41D35-E37 PolarHBondContact O-N 3.18Å; E37-Q40 PolarHBondContact O-N 2.81Å; E37-R41 PolarHBondContact O-N 3.03Å; E37-R41 VanDerWaalsContact O-N 3.11Å
38L97.7Very high95.4Very high9 Ų951.2 Ų51.25%0.04725%0.25CC..Hα-helixtrans-67.9-40175.1176.760.6000111.1D35 Q36 Q40 R41 I42 E149 L152D35-L38 CarbonylContact O-C 3.57Å; D35-L38 WeakPolarHBondContact O-CA 3.44Å; D35-L38 WeakPolarHBondContact O-CB 3.23Å; D35-L38 PolarHBondContact O-N 2.89Å; Q36-L38 VanDerWaalsContact C-N 3.27Å; Q36-L38 PolarHBondContact O-N 3.18Å; L38-Q40 VanDerWaalsContact C-N 3.29Å; L38-Q40 PolarHBondContact O-N 3.26Å; L38-R41 WeakPolarHBondContact O-CB 3.36Å; L38-R41 PolarHBondContact O-N 3.09Å; L38-R41 VanDerWaalsContact O-N 3.16Å; L38-I42 HydrophobicContact CD1-CD1 4.32Å; L38-I42 HydrophobicContact CD1-CG1 4.32Å; L38-I42 HydrophobicContact CG-CD1 4.01Å; L38-I42 HydrophobicContact CG-CG1 4.47Å; L38-I42 VanDerWaalsContact O-CG1 3.3Å; L38-I42 WeakPolarHBondContact O-CG1 3.24Å; L38-I42 PolarHBondContact O-N 3.38Å; L38-E149 HydrophobicContact CD1-CG 3.93Å; L38-E149 HydrophobicContact CD2-CG 4.22Å; L38-L152 HydrophobicContact CD1-CD2 4.49Å
39Y97.9Very high95.3Very high0 Ų051.4 Ų51.40%025%0.251CS..Hα-helixtrans-59.7-40.8173.9-58.6-18.9000111.6F25 S28 D35 Q36 R41 I42 V43 E94F25-Y39 HydrophobicContact CE1-CD1 4.31Å; F25-Y39 HydrophobicContact CE1-CG 4.09Å; F25-Y39 AromaticContact CZ-CD1 3.92Å; F25-Y39 HydrophobicContact CZ-CD1 3.92Å; F25-Y39 HydrophobicContact CZ-CG 4.16Å; S28-Y39 WeakPolarHBondContact CB-OH 3.36Å; S28-Y39 PolarHBondContact N-OH 3.37Å; S28-Y39 VanDerWaalsContact N-OH 3.1Å; S28-Y39 VanDerWaalsContact O-CE2 3.3Å; S28-Y39 WeakPolarHBondContact O-CE2 3.21Å; D35-Y39 HydrophobicContact CB-CD1 4.12Å; D35-Y39 HydrophobicContact CB-CE1 3.46Å; D35-Y39 VanDerWaalsContact CB-CE1 3.46Å; D35-Y39 HydrophobicContact CB-CE2 4.19Å; D35-Y39 VanDerWaalsContact O-CD1 3.32Å; D35-Y39 WeakPolarHBondContact O-CD1 3.33Å; D35-Y39 VanDerWaalsContact O-CG 3.27Å; D35-Y39 PolarHBondContact O-N 3.24Å; Q36-Y39 WeakPolarHBondContact O-CB 3.46Å; Q36-Y39 PolarHBondContact O-N 3.27Å; Q36-Y39 VanDerWaalsContact O-N 3.15Å; Y39-R41 VanDerWaalsContact C-N 3.33Å; Y39-R41 PolarHBondContact O-N 2.75Å; Y39-I42 PolarHBondContact O-N 2.89Å; Y39-V43 WeakPolarHBondContact O-CB 3.39Å; Y39-V43 WeakPolarHBondContact O-CG2 3.48Å; Y39-V43 PolarHBondContact O-N 2.78Å; Y39-E94 HydrophobicContact CD1-CB 4.1Å; Y39-E94 HydrophobicContact CD1-CG 4.32Å; Y39-E94 HydrophobicContact CE1-CB 3.71Å; Y39-E94 HydrophobicContact CE1-CG 3.93Å
40Q97.3Very high95.4Very high69 Ų6950.5 Ų50.532%0.32225%0.248SC..Hα-helixtrans-61.2-43.1175-172.565.262.600111.5Q36 E37 L38 V43 N44 A58Q36-Q40 PolarHBondContact O-N 3.4Å; E37-Q40 PolarHBondContact O-N 2.81Å; L38-Q40 VanDerWaalsContact C-N 3.29Å; L38-Q40 PolarHBondContact O-N 3.26Å; Q40-V43 PolarHBondContact O-N 3.22Å; Q40-N44 PolarHBondContact NE2-OD1 3.34Å; Q40-N44 VanDerWaalsContact O-CB 3.31Å; Q40-N44 WeakPolarHBondContact O-CB 3.48Å; Q40-N44 PolarHBondContact O-N 3.49Å; Q40-N44 PolarHBondContact O-ND2 2.97Å; Q40-N44 PolarHBondContact O-OD1 2.88Å; Q40-A58 HydrophobicContact CB-CB 4.36Å; Q40-A58 PolarHBondContact OE1-O 3.1Å
41R97.7Very high95.6Very high114 Ų11446.1 Ų46.143%0.4324%0.241SC..Hα-helixtrans-61.7-44.8174.6-72.1170.159.3-156.5-5.3111.7E37 L38 Y39 N44 E45 E149E37-R41 PolarHBondContact O-N 3.03Å; E37-R41 VanDerWaalsContact O-N 3.11Å; L38-R41 WeakPolarHBondContact O-CB 3.36Å; L38-R41 PolarHBondContact O-N 3.09Å; L38-R41 VanDerWaalsContact O-N 3.16Å; Y39-R41 VanDerWaalsContact C-N 3.33Å; Y39-R41 PolarHBondContact O-N 2.75Å; R41-N44 PolarHBondContact O-N 2.58Å; R41-E45 WeakPolarHBondContact O-CG 3.1Å; R41-E45 PolarHBondContact O-N 2.92Å; R41-E149 IonicContact CZ-OE2 3.38Å; R41-E149 IonicContact NH1-OE2 3.13Å; R41-E149 PolarHBondContact NH1-OE2 3.46Å
42I98.4Very high95.9Very high0 Ų044.9 Ų44.90%023%0.227CC..Hα-helixtrans-61.4-51.1177.8-64.3165000110.4F25 L38 Y39 N44 E45 L46 E94 L120 L152F25-I42 HydrophobicContact CD2-CG2 3.91Å; F25-I42 HydrophobicContact CE2-CB 4.1Å; F25-I42 HydrophobicContact CE2-CD1 4.23Å; F25-I42 HydrophobicContact CE2-CG2 3.45Å; F25-I42 VanDerWaalsContact CE2-CG2 3.45Å; F25-I42 HydrophobicContact CZ-CB 4.28Å; F25-I42 HydrophobicContact CZ-CD1 4.22Å; F25-I42 HydrophobicContact CZ-CG2 4.13Å; L38-I42 HydrophobicContact CD1-CD1 4.32Å; L38-I42 HydrophobicContact CD1-CG1 4.32Å; L38-I42 HydrophobicContact CG-CD1 4.01Å; L38-I42 HydrophobicContact CG-CG1 4.47Å; L38-I42 VanDerWaalsContact O-CG1 3.3Å; L38-I42 WeakPolarHBondContact O-CG1 3.24Å; L38-I42 PolarHBondContact O-N 3.38Å; Y39-I42 PolarHBondContact O-N 2.89Å; I42-N44 VanDerWaalsContact C-N 3.32Å; I42-N44 PolarHBondContact O-N 2.76Å; I42-E45 PolarHBondContact O-N 3.35Å; I42-E45 VanDerWaalsContact O-N 3.12Å; I42-L46 HydrophobicContact CG2-CD1 3.82Å; I42-L46 HydrophobicContact CG2-CG 4.08Å; I42-L46 VanDerWaalsContact O-CG 3.25Å; I42-L46 WeakPolarHBondContact O-CG 3.3Å; I42-L46 PolarHBondContact O-N 2.83Å; I42-E94 HydrophobicContact CD1-CB 4.09Å; I42-E94 HydrophobicContact CD1-CG 3.76Å; I42-L120 HydrophobicContact CD1-CD1 4.37Å; I42-L152 HydrophobicContact CG1-CD1 3.84Å; I42-L152 HydrophobicContact CG1-CD2 3.71Å; I42-L152 HydrophobicContact CG1-CG 4.44Å
43V97.8Very high96.1Very high1 Ų145.4 Ų45.41%0.00623%0.225CC..Hα-helixtrans-58.2-44.21791690000111.3F25 Y39 Q40 E45 L46 H47 V52 E55 A58F25-V43 HydrophobicContact CB-CG2 4.44Å; F25-V43 HydrophobicContact CD1-CG2 3.63Å; F25-V43 HydrophobicContact CE1-CG2 4.06Å; F25-V43 HydrophobicContact CG-CG2 4.02Å; Y39-V43 WeakPolarHBondContact O-CB 3.39Å; Y39-V43 WeakPolarHBondContact O-CG2 3.48Å; Y39-V43 PolarHBondContact O-N 2.78Å; Q40-V43 PolarHBondContact O-N 3.22Å; V43-E45 VanDerWaalsContact C-N 3.32Å; V43-E45 PolarHBondContact O-N 2.93Å; V43-L46 PolarHBondContact O-N 3Å; V43-L46 VanDerWaalsContact O-N 3.15Å; V43-H47 PolarHBondContact O-CD2 3.23Å; V43-H47 PolarHBondContact O-N 3.04Å; V43-V52 HydrophobicContact CG1-CB 4.49Å; V43-V52 HydrophobicContact CG1-CG1 4.27Å; V43-V52 HydrophobicContact CG1-CG2 4.48Å; V43-V52 HydrophobicContact CG2-CG1 4.44Å; V43-E55 HydrophobicContact CG1-CB 4.27Å; V43-E55 HydrophobicContact CG1-CG 3.95Å; V43-A58 HydrophobicContact CB-CB 4.28Å; V43-A58 HydrophobicContact CG2-CB 3.82Å
44N96.8Very high96.2Very high83 Ų8344.1 Ų44.144%0.44422%0.22SC..Hα-helixtrans-58.7-42.5175.8-71-8.6000112.2Q40 R41 I42Q40-N44 PolarHBondContact NE2-OD1 3.34Å; Q40-N44 VanDerWaalsContact O-CB 3.31Å; Q40-N44 WeakPolarHBondContact O-CB 3.48Å; Q40-N44 PolarHBondContact O-N 3.49Å; Q40-N44 PolarHBondContact O-ND2 2.97Å; Q40-N44 PolarHBondContact O-OD1 2.88Å; R41-N44 PolarHBondContact O-N 2.58Å; I42-N44 VanDerWaalsContact C-N 3.32Å; I42-N44 PolarHBondContact O-N 2.76Å
45E97.3Very high96.1Very high42 Ų4244.3 Ų44.320%0.19621%0.211CC..Hα-helixtrans-68.7-37.5175.4-71.4-52.3130.500112.5R41 I42 V43 H47 R48 Y49 E153 L156R41-E45 WeakPolarHBondContact O-CG 3.1Å; R41-E45 PolarHBondContact O-N 2.92Å; I42-E45 PolarHBondContact O-N 3.35Å; I42-E45 VanDerWaalsContact O-N 3.12Å; V43-E45 VanDerWaalsContact C-N 3.32Å; V43-E45 PolarHBondContact O-N 2.93Å; E45-H47 PolarHBondContact O-N 3.46Å; E45-R48 VanDerWaalsContact O-CB 3.3Å; E45-R48 WeakPolarHBondContact O-CB 3.36Å; E45-R48 WeakPolarHBondContact O-CG 3.47Å; E45-R48 PolarHBondContact O-N 3.4Å; E45-R48 VanDerWaalsContact O-N 3.08Å; E45-R48 WeakPolarHBondContact OE2-CD 3.4Å; E45-R48 IonicContact OE2-CZ 2.77Å; E45-R48 IonicContact OE2-NE 3.21Å; E45-R48 IonicContact OE2-NH1 3.51Å; E45-R48 PolarHBondContact OE2-NH1 2.68Å; E45-Y49 WeakPolarHBondContact O-CD2 3.4Å; E45-Y49 WeakPolarHBondContact O-CE2 3.4Å; E45-E153 HydrophobicContact CG-CG 4.27Å; E45-L156 HydrophobicContact CB-CD1 3.72Å
46L97.2Very high95.7Very high0 Ų045.6 Ų45.60%022%0.216CC..Hα-helixtrans-61.4-29.6179-70.6175.4000112.7I23 F25 I42 V43 R48 Y49 G50 V52 V92 L156 F160I23-L46 HydrophobicContact CD1-CB 4.27Å; I23-L46 HydrophobicContact CD1-CD2 4.46Å; I23-L46 WeakPolarHBondContact CD1-O 3.46Å; I23-L46 HydrophobicContact CG2-CD1 4.06Å; I23-L46 HydrophobicContact CG2-CD2 4.34Å; F25-L46 HydrophobicContact CB-CD1 4.12Å; F25-L46 HydrophobicContact CD2-CD1 3.81Å; F25-L46 HydrophobicContact CG-CD1 4.21Å; I42-L46 HydrophobicContact CG2-CD1 3.82Å; I42-L46 HydrophobicContact CG2-CG 4.08Å; I42-L46 VanDerWaalsContact O-CG 3.25Å; I42-L46 WeakPolarHBondContact O-CG 3.3Å; I42-L46 PolarHBondContact O-N 2.83Å; V43-L46 PolarHBondContact O-N 3Å; V43-L46 VanDerWaalsContact O-N 3.15Å; L46-R48 PolarHBondContact O-N 3.31Å; L46-R48 VanDerWaalsContact O-N 3.12Å; L46-Y49 PolarHBondContact O-N 2.83Å; L46-G50 PolarHBondContact O-N 2.91Å; L46-V52 HydrophobicContact CB-CG2 3.63Å; L46-V92 HydrophobicContact CD1-CB 4.21Å; L46-V92 HydrophobicContact CD1-CG1 4.37Å; L46-V92 HydrophobicContact CD2-CB 4.35Å; L46-V92 HydrophobicContact CD2-CG1 4.37Å; L46-V92 HydrophobicContact CD2-CG2 3.92Å; L46-L156 HydrophobicContact CD2-CD1 4.25Å; L46-L156 HydrophobicContact CD2-CD2 4.01Å; L46-F160 HydrophobicContact CD2-CE2 3.61Å; L46-F160 HydrophobicContact CD2-CZ 3.72Å
47H95.4Very high95.3Very high84 Ų8444.2 Ų44.239%0.38921%0.21SC..THydrogen-bonded Turntrans-59.1-21.6174.5-77-54.2000114.7V43 E45 Y49 G50 E55V43-H47 PolarHBondContact O-CD2 3.23Å; V43-H47 PolarHBondContact O-N 3.04Å; E45-H47 PolarHBondContact O-N 3.46Å; H47-Y49 PolarHBondContact O-N 3.22Å; H47-G50 WeakPolarHBondContact CA-O 3.38Å; H47-E55 IonicContact CE1-OE1 2.76Å; H47-E55 PolarHBondContact CE1-OE1 2.8Å; H47-E55 IonicContact NE2-OE1 2.95Å
48R94.4Very high95Very high113 Ų11336.9 Ų36.943%0.42618%0.176SC..THydrogen-bonded Turntrans-69.3-15.4173.6-61.1166.761.5175.1-4.3112.7R18 E45 L46 E153R18-R48 PolarHBondContact NH2-O 3.43Å; E45-R48 VanDerWaalsContact O-CB 3.3Å; E45-R48 WeakPolarHBondContact O-CB 3.36Å; E45-R48 WeakPolarHBondContact O-CG 3.47Å; E45-R48 PolarHBondContact O-N 3.4Å; E45-R48 VanDerWaalsContact O-N 3.08Å; E45-R48 WeakPolarHBondContact OE2-CD 3.4Å; E45-R48 IonicContact OE2-CZ 2.77Å; E45-R48 IonicContact OE2-NE 3.21Å; E45-R48 IonicContact OE2-NH1 3.51Å; E45-R48 PolarHBondContact OE2-NH1 2.68Å; L46-R48 PolarHBondContact O-N 3.31Å; L46-R48 VanDerWaalsContact O-N 3.12Å; R48-E153 IonicContact NH1-OE2 3.54Å; R48-E153 PolarHBondContact NH1-OE2 3.36Å
49Y94.4Very high94.5Very high5 Ų538 Ų382%0.0218%0.184CC..THydrogen-bonded Turntrans-115.7-23.5-173.8-51-84.6000113.8E45 L46 H47 L156 D157 F160E45-Y49 WeakPolarHBondContact O-CD2 3.4Å; E45-Y49 WeakPolarHBondContact O-CE2 3.4Å; L46-Y49 PolarHBondContact O-N 2.83Å; H47-Y49 PolarHBondContact O-N 3.22Å; Y49-L156 HydrophobicContact CE2-CB 4.06Å; Y49-D157 WeakPolarHBondContact OH-CA 3.3Å; Y49-D157 VanDerWaalsContact OH-CG 3.29Å; Y49-D157 PolarHBondContact OH-N 2.8Å; Y49-D157 VanDerWaalsContact OH-N 3.17Å; Y49-D157 PolarHBondContact OH-OD1 3.42Å; Y49-F160 HydrophobicContact CD1-CB 3.34Å; Y49-F160 HydrophobicContact CD1-CD1 4.12Å; Y49-F160 AromaticContact CD1-CD2 3.51Å; Y49-F160 HydrophobicContact CD1-CD2 3.51Å; Y49-F160 HydrophobicContact CD1-CE2 4.35Å; Y49-F160 AromaticContact CD1-CG 3.39Å; Y49-F160 HydrophobicContact CD1-CG 3.39Å; Y49-F160 AromaticContact CD2-CD2 3.58Å; Y49-F160 HydrophobicContact CD2-CD2 3.58Å; Y49-F160 AromaticContact CD2-CE2 3.67Å; Y49-F160 HydrophobicContact CD2-CE2 3.67Å; Y49-F160 HydrophobicContact CD2-CG 4.22Å; Y49-F160 HydrophobicContact CD2-CZ 4.35Å; Y49-F160 HydrophobicContact CE1-CB 3.62Å; Y49-F160 AromaticContact CE1-CD2 3.72Å; Y49-F160 HydrophobicContact CE1-CD2 3.72Å; Y49-F160 AromaticContact CE1-CG 3.9Å; Y49-F160 HydrophobicContact CE1-CG 3.9Å; Y49-F160 AromaticContact CE2-CD2 3.8Å; Y49-F160 HydrophobicContact CE2-CD2 3.8Å; Y49-F160 HydrophobicContact CE2-CE2 4.09Å; Y49-F160 HydrophobicContact CG-CB 4.06Å; Y49-F160 HydrophobicContact CG-CD1 4Å; Y49-F160 AromaticContact CG-CD2 3.41Å; Y49-F160 HydrophobicContact CG-CD2 3.41Å; Y49-F160 VanDerWaalsContact CG-CD2 3.41Å; Y49-F160 HydrophobicContact CG-CE1 4.33Å; Y49-F160 AromaticContact CG-CE2 3.8Å; Y49-F160 HydrophobicContact CG-CE2 3.8Å; Y49-F160 AromaticContact CG-CG 3.55Å; Y49-F160 HydrophobicContact CG-CG 3.55Å; Y49-F160 HydrophobicContact CG-CZ 4.25Å; Y49-F160 AromaticContact CZ-CD2 3.85Å
50G94.7Very high93.7Very high8 Ų841.7 Ų41.78%0.08222%0.215CC..SBendtrans177.2-174.7-178.700000114.1R18 M21 L46 H47R18-G50 WeakPolarHBondContact O-CA 3.43Å; M21-G50 CarbonylContact O-C 3.43Å; M21-G50 WeakPolarHBondContact O-CA 3.14Å; L46-G50 PolarHBondContact O-N 2.91Å; H47-G50 WeakPolarHBondContact CA-O 3.38Å
51S95.7Very high93Very high62 Ų6247.3 Ų47.343%0.43424%0.241SC..EExtended strand (participates in β ladder)trans-80.7126.5173-58.40000110.4M21 K22 I23M21-S51 PolarHBondContact O-N 3.25Å; K22-S51 WeakPolarHBondContact CA-O 3.43Å; I23-S51 PolarHBondContact N-O 2.78Å
52V97.1Very high92.1Very high6 Ų643.2 Ų43.24%0.03623%0.228CC..EExtended strand (participates in β ladder)trans-90120.6178.5-176.60000108.7I23 F25 V43 L46 E55I23-V52 HydrophobicContact CB-CG2 4.49Å; I23-V52 CarbonylContact O-C 3.59Å; I23-V52 WeakPolarHBondContact O-CA 3.31Å; F25-V52 HydrophobicContact CB-CG1 4Å; V43-V52 HydrophobicContact CG1-CB 4.49Å; V43-V52 HydrophobicContact CG1-CG1 4.27Å; V43-V52 HydrophobicContact CG1-CG2 4.48Å; V43-V52 HydrophobicContact CG2-CG1 4.44Å; L46-V52 HydrophobicContact CB-CG2 3.63Å; V52-E55 HydrophobicContact CB-CG 3.72Å; V52-E55 HydrophobicContact CG1-CG 3.93Å; V52-E55 WeakPolarHBondContact O-CG 3.37Å
53L96.3Very high91.2Very high32 Ų3245.6 Ų45.617%0.16824%0.244CC..THydrogen-bonded Turntrans-78.9-22.5-175.2-59.7-178.7000112.9K22 I23 W84 Q87K22-L53 HydrophobicContact CB-CD1 4.19Å; K22-L53 HydrophobicContact CB-CD2 4.42Å; K22-L53 HydrophobicContact CB-CG 4.36Å; K22-L53 HydrophobicContact CD-CD1 4.49Å; K22-L53 HydrophobicContact CD-CD2 4.38Å; K22-L53 HydrophobicContact CG-CD2 4.32Å; I23-L53 PolarHBondContact O-N 2.88Å; L53-W84 HydrophobicContact CB-CB 4.12Å; L53-W84 HydrophobicContact CB-CG 4.15Å; L53-W84 HydrophobicContact CD1-CB 3.96Å; L53-W84 HydrophobicContact CD1-CG 4.39Å; L53-W84 VanDerWaalsContact CD1-O 3.24Å; L53-W84 WeakPolarHBondContact CD1-O 3.34Å; L53-Q87 HydrophobicContact CD1-CB 4.43Å
54T93.3Very high90Very high0 Ų050.6 Ų50.60%027%0.271CS..THydrogen-bonded Turntrans-121.337.1-170.951.20000112.5Y24 F25 H56 V57 W84Y24-T54 HydrophobicContact CD1-CG2 4.36Å; Y24-T54 HydrophobicContact CD2-CG2 3.74Å; Y24-T54 HydrophobicContact CE1-CG2 4.04Å; Y24-T54 HydrophobicContact CE2-CG2 3.38Å; Y24-T54 HydrophobicContact CG-CG2 4.23Å; F25-T54 WeakPolarHBondContact CA-OG1 3.34Å; F25-T54 PolarHBondContact N-OG1 3.04Å; F25-T54 WeakPolarHBondContact O-CB 3.35Å; F25-T54 PolarHBondContact O-OG1 3.42Å; T54-H56 PolarHBondContact O-N 2.92Å; T54-H56 VanDerWaalsContact O-N 3.11Å; T54-V57 WeakPolarHBondContact O-CB 3.38Å; T54-V57 VanDerWaalsContact O-CG2 3.31Å; T54-V57 WeakPolarHBondContact O-CG2 3.17Å; T54-V57 PolarHBondContact O-N 3.34Å; T54-V57 VanDerWaalsContact O-N 3.08Å; T54-W84 HydrophobicContact CG2-CE3 4.06Å
55E90.8Very high88.9Confident95 Ų9551 Ų5144%0.44428%0.28SS..G310 helixtrans-52.9-34.4178.6-66.6167.3-161.200112.7V43 H47 V52 V57 A58V43-E55 HydrophobicContact CG1-CB 4.27Å; V43-E55 HydrophobicContact CG1-CG 3.95Å; H47-E55 IonicContact CE1-OE1 2.76Å; H47-E55 PolarHBondContact CE1-OE1 2.8Å; H47-E55 IonicContact NE2-OE1 2.95Å; V52-E55 HydrophobicContact CB-CG 3.72Å; V52-E55 HydrophobicContact CG1-CG 3.93Å; V52-E55 WeakPolarHBondContact O-CG 3.37Å; E55-V57 PolarHBondContact O-N 3.3Å; E55-V57 VanDerWaalsContact O-N 3.12Å; E55-A58 WeakPolarHBondContact O-CB 3.35Å; E55-A58 PolarHBondContact O-N 2.83Å
56H87.4Confident87.9Confident44 Ų4449.1 Ų49.120%0.20427%0.273CS..G310 helixtrans-55.9-29.7179.961.5-85.2000112.9T54 A58 S59 L62 E67 W84T54-H56 PolarHBondContact O-N 2.92Å; T54-H56 VanDerWaalsContact O-N 3.11Å; H56-A58 PolarHBondContact O-N 3.12Å; H56-A58 VanDerWaalsContact O-N 3.13Å; H56-S59 WeakPolarHBondContact O-CB 3.33Å; H56-S59 PolarHBondContact O-N 3.08Å; H56-L62 WeakPolarHBondContact O-CD1 3.41Å; H56-E67 IonicContact CD2-OE1 3.6Å; H56-E67 IonicContact NE2-OE1 3.92Å; H56-W84 AromaticContact CE1-CZ3 3.44Å; H56-W84 VanDerWaalsContact CE1-CZ3 3.44Å; H56-W84 WeakPolarHBondContact CE1-CZ3 3.31Å
57V88.5Confident86.8Confident7 Ų751 Ų514%0.04228%0.281CS..G310 helixtrans-53.1-37.1176.31750000111.4F25 I29 R33 T54 E55F25-V57 HydrophobicContact CD1-CB 4.37Å; F25-V57 HydrophobicContact CD1-CG1 4.26Å; F25-V57 HydrophobicContact CE1-CG1 4.13Å; I29-V57 HydrophobicContact CD1-CB 4.48Å; I29-V57 HydrophobicContact CD1-CG1 4.36Å; I29-V57 HydrophobicContact CD1-CG2 4.23Å; I29-V57 HydrophobicContact CG1-CG1 4.23Å; R33-V57 PolarHBondContact NH1-O 3.2Å; R33-V57 PolarHBondContact NH2-O 3.24Å; R33-V57 VanDerWaalsContact NH2-O 3.15Å; T54-V57 WeakPolarHBondContact O-CB 3.38Å; T54-V57 VanDerWaalsContact O-CG2 3.31Å; T54-V57 WeakPolarHBondContact O-CG2 3.17Å; T54-V57 PolarHBondContact O-N 3.34Å; T54-V57 VanDerWaalsContact O-N 3.08Å; E55-V57 PolarHBondContact O-N 3.3Å; E55-V57 VanDerWaalsContact O-N 3.12Å
58A89.2Confident85.4Confident0 Ų055.5 Ų55.50%030%0.303CS..G310 helixtrans-84.6-4.7179.400000114.3Q36 Q40 V43 E55 H56 A60Q36-A58 PolarHBondContact NE2-O 2.78Å; Q40-A58 HydrophobicContact CB-CB 4.36Å; Q40-A58 PolarHBondContact OE1-O 3.1Å; V43-A58 HydrophobicContact CB-CB 4.28Å; V43-A58 HydrophobicContact CG2-CB 3.82Å; E55-A58 WeakPolarHBondContact O-CB 3.35Å; E55-A58 PolarHBondContact O-N 2.83Å; H56-A58 PolarHBondContact O-N 3.12Å; H56-A58 VanDerWaalsContact O-N 3.13Å; A58-A60 PolarHBondContact O-N 3.04Å
59S87.7Confident83.6Confident32 Ų3253 Ų5322%0.22431%0.311CS..  trans-65133.3-176.6178.20000112.4R33 H56 E61 L62R33-S59 PolarHBondContact NH2-O 3.13Å; H56-S59 WeakPolarHBondContact O-CB 3.33Å; H56-S59 PolarHBondContact O-N 3.08Å; S59-E61 PolarHBondContact O-N 3.16Å; S59-E61 PolarHBondContact OG-N 3.1Å; S59-E61 VanDerWaalsContact OG-N 3.11Å; S59-L62 PolarHBondContact O-N 3.44Å
60A81.5Confident82Confident79 Ų7955 Ų5565%0.65333%0.326SS*.THydrogen-bonded Turntrans-68.6-18172.200000112.8A58 L62A58-A60 PolarHBondContact O-N 3.04Å; A60-L62 VanDerWaalsContact C-N 3.33Å
61E81.4Confident80.3Confident186 Ų18660 Ų6087%0.86937%0.366SS*.THydrogen-bonded Turntrans-80.8-14.4-179.3-58.2-179168.600112.7S59S59-E61 PolarHBondContact O-N 3.16Å; S59-E61 PolarHBondContact OG-N 3.1Å; S59-E61 VanDerWaalsContact OG-N 3.11Å
62L79.9Confident78.6Confident28 Ų2859.8 Ų59.815%0.14737%0.374CS..  trans-76.9125.8173.3-72-176.5000110.9I29 R33 H56 S59 A60 E67I29-L62 HydrophobicContact CD1-CD1 4.21Å; R33-L62 PolarHBondContact NE-O 2.88Å; H56-L62 WeakPolarHBondContact O-CD1 3.41Å; S59-L62 PolarHBondContact O-N 3.44Å; A60-L62 VanDerWaalsContact C-N 3.33Å; L62-E67 HydrophobicContact CD1-CG 4.48Å; L62-E67 HydrophobicContact CD2-CB 4.32Å; L62-E67 HydrophobicContact CD2-CG 3.67Å
63S78.6Confident78Confident50 Ų5060.9 Ų60.935%0.3539%0.386SS..BIsolated β-bridgetrans-74.4170171.5770000111.9R33 S65 G66R33-S63 WeakPolarHBondContact CD-O 3.38Å; S63-S65 PolarHBondContact O-N 3.49Å; S63-S65 VanDerWaalsContact O-N 3.14Å; S63-S65 WeakPolarHBondContact OG-CB 3.48Å; S63-S65 PolarHBondContact OG-N 2.98Å; S63-G66 WeakPolarHBondContact O-CA 3.45Å; S63-G66 PolarHBondContact O-N 3.37Å
64D71.8Confident77.7Confident107 Ų10764.3 Ų64.357%0.57241%0.405SS*.THydrogen-bonded Turntrans-60.6-20.4172-69.1-21.4000113R30 R33 G66R30-D64 WeakPolarHBondContact CA-O 3.49Å; R33-D64 WeakPolarHBondContact CB-OD1 3.27Å; R33-D64 WeakPolarHBondContact CD-OD1 3.43Å; R33-D64 VanDerWaalsContact CG-OD1 3.23Å; R33-D64 WeakPolarHBondContact CG-OD1 3.39Å; D64-G66 PolarHBondContact O-N 2.82Å
65S73.6Confident77.6Confident90 Ų9072.3 Ų72.363%0.62944%0.435SS*.THydrogen-bonded Turntrans-77.2-7.6173.6-61.60000112.6R30 S63R30-S65 PolarHBondContact NE-O 2.92Å; S63-S65 PolarHBondContact O-N 3.49Å; S63-S65 VanDerWaalsContact O-N 3.14Å; S63-S65 WeakPolarHBondContact OG-CB 3.48Å; S63-S65 PolarHBondContact OG-N 2.98Å
66G76.4Confident77.6Confident4 Ų469.4 Ų69.44%0.04143%0.427CS..BIsolated β-bridgetrans84.1-153.9-178.900000113I29 S63 D64 E68I29-G66 VanDerWaalsContact CG2-CA 3.42Å; S63-G66 WeakPolarHBondContact O-CA 3.45Å; S63-G66 PolarHBondContact O-N 3.37Å; D64-G66 PolarHBondContact O-N 2.82Å; G66-E68 PolarHBondContact O-N 3.27Å
67E73.9Confident77.7Confident38 Ų3868.5 Ų68.518%0.17842%0.423CS..SBendtrans-61.8122.9176.8-71.7173.3-105.700110.2H56 L62 G69 I77 R80H56-E67 IonicContact CD2-OE1 3.6Å; H56-E67 IonicContact NE2-OE1 3.92Å; L62-E67 HydrophobicContact CD1-CG 4.48Å; L62-E67 HydrophobicContact CD2-CB 4.32Å; L62-E67 HydrophobicContact CD2-CG 3.67Å; E67-G69 PolarHBondContact O-N 2.89Å; E67-I77 HydrophobicContact CB-CD1 4.09Å; E67-R80 IonicContact OE1-CZ 3.82Å; E67-R80 IonicContact OE1-NH2 3.76Å; E67-R80 PolarHBondContact OE1-NH2 2.97Å; E67-R80 IonicContact OE2-CZ 3.15Å; E67-R80 VanDerWaalsContact OE2-CZ 3.28Å; E67-R80 IonicContact OE2-NH1 3.27Å; E67-R80 PolarHBondContact OE2-NH1 3.16Å; E67-R80 IonicContact OE2-NH2 3.94Å; E67-R80 PolarHBondContact OE2-NH2 3.43Å
68E65.9Low78Confident180 Ų18071 Ų7184%0.84144%0.435SS*.  trans-62126167.2-70.9-170.3177.100108.4G66 P70G66-E68 PolarHBondContact O-N 3.27Å; E68-P70 WeakPolarHBondContact O-CD 3.36Å; E68-P70 VanDerWaalsContact O-N 3.07Å
69G57.8Low78.2Confident59 Ų5974.1 Ų74.161%0.60845%0.451SS*.  trans-47.8111.2-15900000113.6E67E67-G69 PolarHBondContact O-N 2.89Å
70P61Low78.5Confident49 Ų4975.8 Ų75.832%0.31845%0.453SS..  trans-57159.6164.623.6-31.2000109.1E68 G72 G73 I77E68-P70 WeakPolarHBondContact O-CD 3.36Å; E68-P70 VanDerWaalsContact O-N 3.07Å; P70-G72 PolarHBondContact O-N 2.81Å; P70-G73 PolarHBondContact O-N 3.17Å; P70-I77 HydrophobicContact CG-CG1 4.01Å
71A57.6Low79.2Confident113 Ų11373.2 Ų73.293%0.93443%0.428SS*.THydrogen-bonded Turntrans-52.5103.4173.900000109.8
72G61Low79.9Confident57 Ų5765.2 Ų65.259%0.58839%0.391SS*.THydrogen-bonded Turntrans125.7-7.5-173.500000117P70 A76P70-G72 PolarHBondContact O-N 2.81Å; G72-A76 PolarHBondContact O-N 2.88Å
73G85.3Confident80.8Confident29 Ų2965.5 Ų65.530%0.29940%0.397SS..Hα-helixtrans62.9-157169.600000115.3P70 R75 A76 I77P70-G73 PolarHBondContact O-N 3.17Å; G73-R75 PolarHBondContact O-N 3.39Å; G73-R75 VanDerWaalsContact O-N 3.13Å; G73-A76 PolarHBondContact O-N 3Å; G73-I77 PolarHBondContact O-N 2.89Å
74D89.3Confident81.7Confident104 Ų10466.2 Ų66.256%0.55639%0.392SS*.Hα-helixtrans-56.1-32.1-176.2-73.4-25.2000113.2R30 I77 H78R30-D74 IonicContact CZ-OD1 3.3Å; R30-D74 IonicContact NH1-OD1 3.74Å; R30-D74 PolarHBondContact NH1-OD1 3.35Å; R30-D74 IonicContact NH1-OD2 2.98Å; R30-D74 IonicContact NH2-OD1 3.02Å; R30-D74 PolarHBondContact NH2-OD1 2.81Å; D74-I77 PolarHBondContact O-N 3.14Å; D74-H78 WeakPolarHBondContact O-CB 3.33Å; D74-H78 PolarHBondContact O-N 2.93Å
75R90.8Very high82.9Confident167 Ų16761.1 Ų61.163%0.6337%0.365SS*.Hα-helixtrans-66.6-40.5178.3-17964.6-167.9-156.38.2112G73 H78 D79G73-R75 PolarHBondContact O-N 3.39Å; G73-R75 VanDerWaalsContact O-N 3.13Å; R75-H78 PolarHBondContact O-N 3.29Å; R75-D79 IonicContact CZ-OD1 2.83Å; R75-D79 IonicContact CZ-OD2 3.65Å; R75-D79 VanDerWaalsContact NE-CG 3.29Å; R75-D79 IonicContact NE-OD1 3.15Å; R75-D79 PolarHBondContact NE-OD1 3.42Å; R75-D79 VanDerWaalsContact NE-OD1 3.13Å; R75-D79 IonicContact NE-OD2 3.08Å; R75-D79 PolarHBondContact NE-OD2 2.83Å; R75-D79 IonicContact NH2-OD1 2.77Å; R75-D79 PolarHBondContact NH2-OD1 2.86Å; R75-D79 VanDerWaalsContact NH2-OD1 3.16Å; R75-D79 IonicContact NH2-OD2 3.48Å; R75-D79 PolarHBondContact NH2-OD2 3.38Å; R75-D79 VanDerWaalsContact NH2-OD2 3.1Å; R75-D79 WeakPolarHBondContact O-CB 3.44Å; R75-D79 PolarHBondContact O-N 2.8Å
76A90.2Very high84Confident35 Ų3562.5 Ų62.529%0.28936%0.362SS..Hα-helixtrans-66.5-41.7178.300000111.5G72 G73 R80G72-A76 PolarHBondContact O-N 2.88Å; G73-A76 PolarHBondContact O-N 3Å; A76-R80 WeakPolarHBondContact O-CB 3.44Å; A76-R80 PolarHBondContact O-N 3.23Å
77I90.6Very high84.9Confident24 Ų2466.8 Ų66.812%0.12338%0.381CS..Hα-helixtrans-58.6-53.2173.8-65.1169.3000109.4E67 P70 G73 D74 D79 R80 D81E67-I77 HydrophobicContact CB-CD1 4.09Å; P70-I77 HydrophobicContact CG-CG1 4.01Å; G73-I77 PolarHBondContact O-N 2.89Å; D74-I77 PolarHBondContact O-N 3.14Å; I77-D79 PolarHBondContact O-N 3.13Å; I77-R80 PolarHBondContact O-N 2.96Å; I77-D81 VanDerWaalsContact O-CB 3.27Å; I77-D81 WeakPolarHBondContact O-CB 3.43Å; I77-D81 VanDerWaalsContact O-CG 3.24Å; I77-D81 PolarHBondContact O-N 2.94Å
78H94.4Very high86Confident61 Ų6165.2 Ų65.228%0.28237%0.374SS..Hα-helixtrans-55.1-49.8179.4169.4-86.4000113.2D74 R75 L82 Y104D74-H78 WeakPolarHBondContact O-CB 3.33Å; D74-H78 PolarHBondContact O-N 2.93Å; R75-H78 PolarHBondContact O-N 3.29Å; H78-L82 WeakPolarHBondContact CE1-CD1 3.42Å; H78-L82 WeakPolarHBondContact NE2-CD1 3.27Å; H78-L82 WeakPolarHBondContact O-CB 3.43Å; H78-L82 WeakPolarHBondContact O-CG 3.19Å; H78-L82 PolarHBondContact O-N 2.78Å; H78-Y104 AromaticContact CD2-CE1 3.85Å; H78-Y104 AromaticContact NE2-CE1 3.74Å; H78-Y104 AromaticContact NE2-CZ 3.56Å; H78-Y104 PolarHBondContact NE2-OH 3.29Å
79D94.4Very high87.4Confident65 Ų6560.7 Ų60.735%0.34836%0.355SS..Hα-helixtrans-70.3-37.1-175.5-72.1-6.5000111.8R75 I77 A83R75-D79 IonicContact CZ-OD1 2.83Å; R75-D79 IonicContact CZ-OD2 3.65Å; R75-D79 VanDerWaalsContact NE-CG 3.29Å; R75-D79 IonicContact NE-OD1 3.15Å; R75-D79 PolarHBondContact NE-OD1 3.42Å; R75-D79 VanDerWaalsContact NE-OD1 3.13Å; R75-D79 IonicContact NE-OD2 3.08Å; R75-D79 PolarHBondContact NE-OD2 2.83Å; R75-D79 IonicContact NH2-OD1 2.77Å; R75-D79 PolarHBondContact NH2-OD1 2.86Å; R75-D79 VanDerWaalsContact NH2-OD1 3.16Å; R75-D79 IonicContact NH2-OD2 3.48Å; R75-D79 PolarHBondContact NH2-OD2 3.38Å; R75-D79 VanDerWaalsContact NH2-OD2 3.1Å; R75-D79 WeakPolarHBondContact O-CB 3.44Å; R75-D79 PolarHBondContact O-N 2.8Å; I77-D79 PolarHBondContact O-N 3.13Å; D79-A83 WeakPolarHBondContact O-CB 3.46Å; D79-A83 PolarHBondContact O-N 3.36Å
80R94.2Very high89.3Confident67 Ų6758.1 Ų58.125%0.25333%0.328SS..Hα-helixtrans-64-49.2174.1179.8-16867.1-166.2-2.9111.5E67 A76 I77 L82 A83 W84E67-R80 IonicContact OE1-CZ 3.82Å; E67-R80 IonicContact OE1-NH2 3.76Å; E67-R80 PolarHBondContact OE1-NH2 2.97Å; E67-R80 IonicContact OE2-CZ 3.15Å; E67-R80 VanDerWaalsContact OE2-CZ 3.28Å; E67-R80 IonicContact OE2-NH1 3.27Å; E67-R80 PolarHBondContact OE2-NH1 3.16Å; E67-R80 IonicContact OE2-NH2 3.94Å; E67-R80 PolarHBondContact OE2-NH2 3.43Å; A76-R80 WeakPolarHBondContact O-CB 3.44Å; A76-R80 PolarHBondContact O-N 3.23Å; I77-R80 PolarHBondContact O-N 2.96Å; R80-L82 PolarHBondContact O-N 2.82Å; R80-A83 WeakPolarHBondContact O-CB 3.39Å; R80-A83 PolarHBondContact O-N 3.5Å; R80-A83 VanDerWaalsContact O-N 3.1Å; R80-W84 HydrophobicContact CG-CD2 4.12Å; R80-W84 HydrophobicContact CG-CE3 4.04Å; R80-W84 HydrophobicContact CG-CH2 3.84Å; R80-W84 HydrophobicContact CG-CZ2 3.88Å; R80-W84 HydrophobicContact CG-CZ3 3.88Å; R80-W84 VanDerWaalsContact NE-CZ3 3.3Å; R80-W84 PolarHBondContact O-N 3.47Å
81D95.7Very high91.1Very high24 Ų2455.8 Ų55.813%0.12831%0.312CS..Hα-helixtrans-66.4-39.9-176.9-73.920.2000110.9Y24 I77 A83 W84 L85Y24-D81 VanDerWaalsContact CE2-O 3.3Å; Y24-D81 WeakPolarHBondContact CE2-O 3.44Å; Y24-D81 WeakPolarHBondContact OH-CB 3.48Å; I77-D81 VanDerWaalsContact O-CB 3.27Å; I77-D81 WeakPolarHBondContact O-CB 3.43Å; I77-D81 VanDerWaalsContact O-CG 3.24Å; I77-D81 PolarHBondContact O-N 2.94Å; D81-A83 VanDerWaalsContact C-N 3.34Å; D81-A83 PolarHBondContact O-N 3.29Å; D81-W84 PolarHBondContact O-N 3.48Å; D81-L85 WeakPolarHBondContact O-CB 3.39Å; D81-L85 PolarHBondContact O-N 3.16Å
82L96.6Very high93Very high19 Ų1950.4 Ų50.410%0.09927%0.268CS..Hα-helixtrans-62.8-38.5170.5-77.1-175.1000113H78 R80 W84 L85 Q86 Y104 R108H78-L82 WeakPolarHBondContact CE1-CD1 3.42Å; H78-L82 WeakPolarHBondContact NE2-CD1 3.27Å; H78-L82 WeakPolarHBondContact O-CB 3.43Å; H78-L82 WeakPolarHBondContact O-CG 3.19Å; H78-L82 PolarHBondContact O-N 2.78Å; R80-L82 PolarHBondContact O-N 2.82Å; L82-W84 VanDerWaalsContact C-N 3.34Å; L82-L85 HydrophobicContact CD2-CD2 4.33Å; L82-L85 PolarHBondContact O-N 3.46Å; L82-Q86 WeakPolarHBondContact O-CB 3.48Å; L82-Q86 VanDerWaalsContact O-CG 3.26Å; L82-Q86 WeakPolarHBondContact O-CG 3.37Å; L82-Q86 PolarHBondContact O-N 3.2Å; L82-Y104 HydrophobicContact CD2-CE1 4.17Å; L82-R108 VanDerWaalsContact CD1-NH1 3.31Å; L82-R108 HydrophobicContact CD2-CB 4.34Å; L82-R108 HydrophobicContact CD2-CG 4.01Å
83A97.3Very high94.8Very high33 Ų3347.7 Ų47.727%0.27324%0.24SC..Hα-helixtrans-65.2-39.3176.200000111.3D79 R80 D81 Q86 Q87D79-A83 WeakPolarHBondContact O-CB 3.46Å; D79-A83 PolarHBondContact O-N 3.36Å; R80-A83 WeakPolarHBondContact O-CB 3.39Å; R80-A83 PolarHBondContact O-N 3.5Å; R80-A83 VanDerWaalsContact O-N 3.1Å; D81-A83 VanDerWaalsContact C-N 3.34Å; D81-A83 PolarHBondContact O-N 3.29Å; A83-Q86 PolarHBondContact O-N 3.15Å; A83-Q87 WeakPolarHBondContact O-CB 3.3Å; A83-Q87 WeakPolarHBondContact O-CG 3.25Å; A83-Q87 PolarHBondContact O-N 3.38Å; A83-Q87 PolarHBondContact O-NE2 3.4Å
84W97.8Very high95.5Very high65 Ų6546.3 Ų46.325%0.24623%0.226CC..Hα-helixtrans-66.5-42.4172.9-73.9-25.7000112.4Y24 L53 T54 H56 R80 D81 L82 Q86 Q87 S88Y24-W84 HydrophobicContact CD2-CB 3.91Å; Y24-W84 HydrophobicContact CE2-CB 3.76Å; L53-W84 HydrophobicContact CB-CB 4.12Å; L53-W84 HydrophobicContact CB-CG 4.15Å; L53-W84 HydrophobicContact CD1-CB 3.96Å; L53-W84 HydrophobicContact CD1-CG 4.39Å; L53-W84 VanDerWaalsContact CD1-O 3.24Å; L53-W84 WeakPolarHBondContact CD1-O 3.34Å; T54-W84 HydrophobicContact CG2-CE3 4.06Å; H56-W84 AromaticContact CE1-CZ3 3.44Å; H56-W84 VanDerWaalsContact CE1-CZ3 3.44Å; H56-W84 WeakPolarHBondContact CE1-CZ3 3.31Å; R80-W84 HydrophobicContact CG-CD2 4.12Å; R80-W84 HydrophobicContact CG-CE3 4.04Å; R80-W84 HydrophobicContact CG-CH2 3.84Å; R80-W84 HydrophobicContact CG-CZ2 3.88Å; R80-W84 HydrophobicContact CG-CZ3 3.88Å; R80-W84 VanDerWaalsContact NE-CZ3 3.3Å; R80-W84 PolarHBondContact O-N 3.47Å; D81-W84 PolarHBondContact O-N 3.48Å; L82-W84 VanDerWaalsContact C-N 3.34Å; W84-Q86 VanDerWaalsContact C-N 3.28Å; W84-Q86 PolarHBondContact O-N 2.85Å; W84-Q87 PolarHBondContact O-N 3.41Å; W84-Q87 VanDerWaalsContact O-N 3.09Å; W84-S88 PolarHBondContact O-N 2.73Å
85L97.7Very high95.9Very high1 Ų141.9 Ų41.91%0.00520%0.203CC..Hα-helixtrans-60.4-40.1175.7-175.364.5000111.4Y24 D81 L82 S88 V91 R108 A109 M112 K115Y24-L85 HydrophobicContact CD1-CD1 3.85Å; Y24-L85 VanDerWaalsContact CD2-CA 3.49Å; Y24-L85 HydrophobicContact CD2-CB 3.96Å; Y24-L85 HydrophobicContact CD2-CD1 4.17Å; Y24-L85 HydrophobicContact CE1-CD1 4.22Å; Y24-L85 HydrophobicContact CE2-CB 3.84Å; Y24-L85 HydrophobicContact CE2-CD1 4.5Å; Y24-L85 HydrophobicContact CG-CB 4.47Å; Y24-L85 HydrophobicContact CG-CD1 3.81Å; D81-L85 WeakPolarHBondContact O-CB 3.39Å; D81-L85 PolarHBondContact O-N 3.16Å; L82-L85 HydrophobicContact CD2-CD2 4.33Å; L82-L85 PolarHBondContact O-N 3.46Å; L85-S88 PolarHBondContact O-OG 2.82Å; L85-V91 HydrophobicContact CD1-CG2 3.64Å; L85-R108 HydrophobicContact CD2-CB 3.82Å; L85-A109 HydrophobicContact CD1-CB 4.28Å; L85-M112 HydrophobicContact CD2-CE 4.14Å; L85-M112 HydrophobicContact CG-CE 4.22Å; L85-M112 HydrophobicContact CG-SD 4.38Å; L85-K115 WeakPolarHBondContact O-CE 3.37Å; L85-K115 PolarHBondContact O-NZ 3.07Å
86Q96.4Very high96.3Very high118 Ų11834.1 Ų34.155%0.55117%0.174SC*.Hα-helixtrans-65.5-37.8174-75.7173.8-5.500112.4L82 A83 W84 M112 K115L82-Q86 WeakPolarHBondContact O-CB 3.48Å; L82-Q86 VanDerWaalsContact O-CG 3.26Å; L82-Q86 WeakPolarHBondContact O-CG 3.37Å; L82-Q86 PolarHBondContact O-N 3.2Å; A83-Q86 PolarHBondContact O-N 3.15Å; W84-Q86 VanDerWaalsContact C-N 3.28Å; W84-Q86 PolarHBondContact O-N 2.85Å; Q86-M112 HydrophobicContact CG-CE 3.65Å; Q86-M112 HydrophobicContact CG-SD 4.39Å; Q86-K115 VanDerWaalsContact C-NZ 3.31Å; Q86-K115 PolarHBondContact O-NZ 2.93Å
87Q95.6Very high96.6Very high95 Ų9533.7 Ų33.744%0.44417%0.166SC..Hα-helixtrans-78.8-18.2-179-73.9174.255.400114.9K22 L53 A83 W84K22-Q87 HydrophobicContact CD-CB 4.41Å; K22-Q87 VanDerWaalsContact CD-O 3.29Å; K22-Q87 WeakPolarHBondContact CD-O 3.24Å; L53-Q87 HydrophobicContact CD1-CB 4.43Å; A83-Q87 WeakPolarHBondContact O-CB 3.3Å; A83-Q87 WeakPolarHBondContact O-CG 3.25Å; A83-Q87 PolarHBondContact O-N 3.38Å; A83-Q87 PolarHBondContact O-NE2 3.4Å; W84-Q87 PolarHBondContact O-N 3.41Å; W84-Q87 VanDerWaalsContact O-N 3.09Å
88S96.9Very high97Very high4 Ų436.4 Ų36.43%0.02819%0.185CC..  trans-67.8156.3-178.667.30000112.6K22 W84 L85 K115K22-S88 CarbonylContact O-C 3.5Å; W84-S88 PolarHBondContact O-N 2.73Å; L85-S88 PolarHBondContact O-OG 2.82Å; S88-K115 PolarHBondContact O-NZ 3.09Å; S88-K115 PolarHBondContact OG-NZ 3.31Å
89D95.3Very high97.1Very high86 Ų8634.8 Ų34.846%0.4618%0.181SC..SBendtrans-90.3-30.9167.8-57.2-63.6000110.4M21 K22M21-D89 WeakPolarHBondContact CA-OD2 3.4Å; M21-D89 HydrophobicContact CG-CB 4.13Å; K22-D89 PolarHBondContact N-OD2 3.12Å; K22-D89 PolarHBondContact O-N 3Å
90V97.1Very high97.3Very high4 Ų439.6 Ų39.62%0.02421%0.205CC..EExtended strand (participates in β ladder)trans-140.8146.2-170.5-179.20000110.2M21 K22 Y24 V92 K116 F159 F160 L163M21-V90 HydrophobicContact CG-CG2 4.49Å; M21-V90 HydrophobicContact SD-CG2 3.95Å; K22-V90 PolarHBondContact O-N 2.93Å; Y24-V90 PolarHBondContact N-O 3.05Å; V90-V92 HydrophobicContact CG1-CG2 4.3Å; V90-K116 CarbonylContact C-O 3.52Å; V90-K116 WeakPolarHBondContact CA-O 3.3Å; V90-K116 HydrophobicContact CG2-CB 4.48Å; V90-F159 HydrophobicContact CG1-CE1 3.44Å; V90-F159 VanDerWaalsContact CG1-CE1 3.44Å; V90-F159 HydrophobicContact CG1-CZ 3.73Å; V90-F160 HydrophobicContact CG1-CE1 4.22Å; V90-L163 HydrophobicContact CG1-CD1 4.36Å; V90-L163 HydrophobicContact CG2-CD1 3.57Å
91V98.6Very high97.4Very high0 Ų038.3 Ų38.30%021%0.213CC..EExtended strand (participates in β ladder)trans-114.1132171.7-175.90000109.3Y24 L85 A109 K116 V117 L118Y24-V91 HydrophobicContact CD1-CG1 4.48Å; Y24-V91 CarbonylContact O-C 3.57Å; Y24-V91 VanDerWaalsContact O-CA 3.31Å; Y24-V91 WeakPolarHBondContact O-CA 3.07Å; L85-V91 HydrophobicContact CD1-CG2 3.64Å; V91-A109 HydrophobicContact CG2-CB 4.08Å; V91-K116 PolarHBondContact N-O 2.78Å; V91-V117 HydrophobicContact CB-CB 4.44Å; V91-V117 HydrophobicContact CB-CG1 4.23Å; V91-V117 HydrophobicContact CB-CG2 4.11Å; V91-V117 HydrophobicContact CG1-CG1 4.32Å; V91-V117 HydrophobicContact CG2-CG2 4.39Å; V91-V117 CarbonylContact O-C 3.56Å; V91-V117 WeakPolarHBondContact O-CA 3.48Å; V91-L118 PolarHBondContact O-N 3.45Å
92V98.8Very high97.5Very high0 Ų037.5 Ų37.50%021%0.209CC..EExtended strand (participates in β ladder)trans-123.4124.9171.4-179.60000108I23 Y24 F25 C26 L46 V90 L118 L120 L156 F159 F160I23-V92 HydrophobicContact CG2-CG2 4.16Å; Y24-V92 PolarHBondContact O-N 3.33Å; F25-V92 CarbonylContact C-O 3.52Å; F25-V92 VanDerWaalsContact CA-O 3.24Å; F25-V92 WeakPolarHBondContact CA-O 3.28Å; F25-V92 HydrophobicContact CD2-CB 4.39Å; F25-V92 HydrophobicContact CD2-CG1 4.33Å; F25-V92 VanDerWaalsContact CD2-O 3.3Å; F25-V92 WeakPolarHBondContact CD2-O 2.86Å; C26-V92 PolarHBondContact N-O 2.96Å; L46-V92 HydrophobicContact CD1-CB 4.21Å; L46-V92 HydrophobicContact CD1-CG1 4.37Å; L46-V92 HydrophobicContact CD2-CB 4.35Å; L46-V92 HydrophobicContact CD2-CG1 4.37Å; L46-V92 HydrophobicContact CD2-CG2 3.92Å; V90-V92 HydrophobicContact CG1-CG2 4.3Å; V92-L118 CarbonylContact C-O 3.6Å; V92-L118 WeakPolarHBondContact CA-O 3.3Å; V92-L118 HydrophobicContact CG1-CD2 4.43Å; V92-L118 HydrophobicContact CG2-CB 4.46Å; V92-L120 HydrophobicContact CG1-CD1 4.12Å; V92-L156 HydrophobicContact CG1-CD2 4.38Å; V92-F159 HydrophobicContact CG2-CE1 4.34Å; V92-F160 HydrophobicContact CG2-CZ 4.16Å
93A98.8Very high97.6Very high0 Ų038.1 Ų38.10%022%0.22CC..EExtended strand (participates in β ladder)trans-125.7126.2-175.800000111C26 V95 V102 L106 L118 C119 L120C26-A93 HydrophobicContact CB-CB 3.67Å; C26-A93 WeakPolarHBondContact O-CA 3.47Å; A93-V95 HydrophobicContact CB-CG1 3.83Å; A93-V102 HydrophobicContact CB-CG1 4.39Å; A93-L106 HydrophobicContact CB-CD1 4.25Å; A93-L106 HydrophobicContact CB-CD2 3.89Å; A93-L106 HydrophobicContact CB-CG 4.36Å; A93-L118 PolarHBondContact N-O 2.77Å; A93-C119 CarbonylContact O-C 3.57Å; A93-C119 WeakPolarHBondContact O-CA 3.46Å; A93-L120 PolarHBondContact O-N 3.45Å
94E98.7Very high97.7Very high0 Ų041.3 Ų41.30%023%0.226CC..EExtended strand (participates in β ladder)trans-85118.6163.2-149.4-57.6140.700107.8F25 C26 Y39 I42 T96 R122F25-E94 HydrophobicContact CE2-CB 4.41Å; F25-E94 HydrophobicContact CZ-CB 4.24Å; C26-E94 PolarHBondContact O-N 2.9Å; Y39-E94 HydrophobicContact CD1-CB 4.1Å; Y39-E94 HydrophobicContact CD1-CG 4.32Å; Y39-E94 HydrophobicContact CE1-CB 3.71Å; Y39-E94 HydrophobicContact CE1-CG 3.93Å; I42-E94 HydrophobicContact CD1-CB 4.09Å; I42-E94 HydrophobicContact CD1-CG 3.76Å; E94-T96 VanDerWaalsContact OE1-CB 3.24Å; E94-T96 WeakPolarHBondContact OE1-CB 3.28Å; E94-T96 PolarHBondContact OE1-OG1 3.01Å; E94-T96 WeakPolarHBondContact OE2-CB 3.38Å; E94-T96 PolarHBondContact OE2-N 3.35Å; E94-R122 IonicContact OE1-CZ 3.64Å; E94-R122 IonicContact OE1-NH1 3.1Å; E94-R122 PolarHBondContact OE1-NH1 3.35Å; E94-R122 IonicContact OE2-NH1 2.78Å
95V98.6Very high97.7Very high12 Ų1239.5 Ų39.57%0.07322%0.22CC..  trans-12018.1-169.2-62.10000113.2A93 V102 L106 C119 L120 F121 L129A93-V95 HydrophobicContact CB-CG1 3.83Å; V95-V102 HydrophobicContact CG1-CG1 4.06Å; V95-L106 HydrophobicContact CG1-CD1 3.8Å; V95-C119 HydrophobicContact CG1-CB 4.25Å; V95-C119 HydrophobicContact CG2-CB 3.98Å; V95-L120 VanDerWaalsContact CG2-O 3.24Å; V95-L120 WeakPolarHBondContact CG2-O 3.4Å; V95-L120 PolarHBondContact N-O 2.76Å; V95-F121 HydrophobicContact CG2-CB 4.07Å; V95-L129 HydrophobicContact CB-CD1 3.96Å; V95-L129 HydrophobicContact CG2-CD1 3.61Å; V95-L129 HydrophobicContact CG2-CD2 4.31Å; V95-L129 WeakPolarHBondContact O-CD1 3.41Å
96T98.4Very high97.8Very high4 Ų439.7 Ų39.73%0.02522%0.221CC..SBendtrans-71.6-45.6177.4-59.10000111E94 P98 F121 R122 S125 R127E94-T96 VanDerWaalsContact OE1-CB 3.24Å; E94-T96 WeakPolarHBondContact OE1-CB 3.28Å; E94-T96 PolarHBondContact OE1-OG1 3.01Å; E94-T96 WeakPolarHBondContact OE2-CB 3.38Å; E94-T96 PolarHBondContact OE2-N 3.35Å; T96-P98 WeakPolarHBondContact O-CD 3.33Å; T96-F121 HydrophobicContact CG2-CE2 4.47Å; T96-R122 HydrophobicContact CG2-CB 4.14Å; T96-R122 PolarHBondContact OG1-N 3.13Å; T96-R122 PolarHBondContact OG1-NH1 3.36Å; T96-S125 VanDerWaalsContact CG2-CB 3.43Å; T96-S125 WeakPolarHBondContact CG2-OG 3.39Å; T96-R127 WeakPolarHBondContact O-CD 3.49Å
97Q97.8Very high97.8Very high26 Ų2636.1 Ų36.112%0.12122%0.215CC..SBendtrans-83118.5173.4-17662.929.200110.3S28 G31 S99S28-Q97 WeakPolarHBondContact OG-CG 3.45Å; G31-Q97 PolarHBondContact O-NE2 3.09Å; Q97-S99 PolarHBondContact O-N 3.37Å
98P97.2Very high97.9Very high81 Ų8135.5 Ų35.553%0.52621%0.209SC..  trans-61131178.8-23.734.7000112.2T96T96-P98 WeakPolarHBondContact O-CD 3.33Å
99S97.8Very high98Very high27 Ų2735.3 Ų35.319%0.18921%0.207CC..  trans-145.2128.5-179.3169.10000111.4Q97 G101 V102 G103Q97-S99 PolarHBondContact O-N 3.37Å; S99-G101 VanDerWaalsContact C-N 3.32Å; S99-G101 PolarHBondContact OG-N 2.97Å; S99-V102 PolarHBondContact OG-N 2.65Å; S99-G103 PolarHBondContact O-N 2.86Å
100L97.8Very high97.9Very high166 Ų16632.8 Ų32.887%0.86920%0.199SC*.Hα-helixtrans-63.3-39.6174.2-67.6176.1000111.4G103 Y104L100-G103 PolarHBondContact O-N 3.08Å; L100-Y104 WeakPolarHBondContact O-CB 3.28Å; L100-Y104 PolarHBondContact O-N 2.85Å
101G97Very high97.8Very high40 Ų4038.8 Ų38.841%0.41223%0.231SC..Hα-helixtrans-62.4-51.1177.400000111.5S99 G103 Y104 E105S99-G101 VanDerWaalsContact C-N 3.32Å; S99-G101 PolarHBondContact OG-N 2.97Å; G101-G103 VanDerWaalsContact C-N 3.32Å; G101-G103 PolarHBondContact O-N 2.65Å; G101-Y104 WeakPolarHBondContact O-CB 3.24Å; G101-Y104 PolarHBondContact O-N 3.3Å; G101-Y104 VanDerWaalsContact O-N 3.12Å; G101-E105 VanDerWaalsContact O-CG 3.3Å; G101-E105 WeakPolarHBondContact O-CG 3.49Å; G101-E105 PolarHBondContact O-N 2.96Å
102V98.4Very high97.6Very high6 Ų640.6 Ų40.64%0.03624%0.24CC..Hα-helixtrans-61.7-42178.2175.80000111.1C26 G27 A93 V95 S99 Y104 E105 L106C26-V102 HydrophobicContact CB-CG1 3.96Å; C26-V102 HydrophobicContact CB-CG2 4.19Å; G27-V102 VanDerWaalsContact C-CG2 3.49Å; G27-V102 WeakPolarHBondContact O-CG2 3.48Å; A93-V102 HydrophobicContact CB-CG1 4.39Å; V95-V102 HydrophobicContact CG1-CG1 4.06Å; S99-V102 PolarHBondContact OG-N 2.65Å; V102-Y104 VanDerWaalsContact C-N 3.34Å; V102-Y104 PolarHBondContact O-N 2.75Å; V102-E105 WeakPolarHBondContact CA-OE2 3.34Å; V102-E105 PolarHBondContact O-N 2.83Å; V102-L106 HydrophobicContact CG1-CD1 3.91Å; V102-L106 HydrophobicContact CG1-CG 4.35Å; V102-L106 WeakPolarHBondContact O-CB 3.21Å; V102-L106 VanDerWaalsContact O-CG 3.28Å; V102-L106 WeakPolarHBondContact O-CG 3.49Å; V102-L106 PolarHBondContact O-N 3.37Å
103G98.4Very high96.9Very high32 Ų3249.2 Ų49.233%0.3328%0.277SS..Hα-helixtrans-61.5-40.7175.100000113.1S99 L100 G101 G107S99-G103 PolarHBondContact O-N 2.86Å; L100-G103 PolarHBondContact O-N 3.08Å; G101-G103 VanDerWaalsContact C-N 3.32Å; G101-G103 PolarHBondContact O-N 2.65Å; G103-G107 PolarHBondContact O-N 2.9Å
104Y98.5Very high96.4Very high101 Ų10157.8 Ų57.840%0.39632%0.317SS..Hα-helixtrans-63.5-49.6175.2176-99.5000111.4H78 L82 L100 G101 V102 L106 G107 R108H78-Y104 AromaticContact CD2-CE1 3.85Å; H78-Y104 AromaticContact NE2-CE1 3.74Å; H78-Y104 AromaticContact NE2-CZ 3.56Å; H78-Y104 PolarHBondContact NE2-OH 3.29Å; L82-Y104 HydrophobicContact CD2-CE1 4.17Å; L100-Y104 WeakPolarHBondContact O-CB 3.28Å; L100-Y104 PolarHBondContact O-N 2.85Å; G101-Y104 WeakPolarHBondContact O-CB 3.24Å; G101-Y104 PolarHBondContact O-N 3.3Å; G101-Y104 VanDerWaalsContact O-N 3.12Å; V102-Y104 VanDerWaalsContact C-N 3.34Å; V102-Y104 PolarHBondContact O-N 2.75Å; Y104-L106 PolarHBondContact O-N 3.19Å; Y104-G107 PolarHBondContact O-N 2.89Å; Y104-G107 VanDerWaalsContact O-N 3.16Å; Y104-R108 HydrophobicContact CD1-CG 4.37Å; Y104-R108 HydrophobicContact CE1-CG 4.02Å; Y104-R108 HydrophobicContact CE2-CG 4.3Å; Y104-R108 WeakPolarHBondContact O-CG 3.31Å; Y104-R108 PolarHBondContact O-N 3.12Å; Y104-R108 PolarHBondContact OH-NH1 3.46Å
105E98.5Very high96.1Very high26 Ų2658.7 Ų58.712%0.12132%0.321CS..Hα-helixtrans-57.8-46.1177.5-68.1169.9141.900111.8Y24 C26 G101 V102 G107 R108 A109Y24-E105 HydrophobicContact CE1-CG 4.4Å; Y24-E105 WeakPolarHBondContact CE1-OE1 3.45Å; Y24-E105 PolarHBondContact OH-OE1 3.38Å; C26-E105 WeakPolarHBondContact CB-OE2 3.29Å; C26-E105 PolarHBondContact SG-OE2 3.29Å; G101-E105 VanDerWaalsContact O-CG 3.3Å; G101-E105 WeakPolarHBondContact O-CG 3.49Å; G101-E105 PolarHBondContact O-N 2.96Å; V102-E105 WeakPolarHBondContact CA-OE2 3.34Å; V102-E105 PolarHBondContact O-N 2.83Å; E105-G107 VanDerWaalsContact C-N 3.34Å; E105-G107 PolarHBondContact O-N 3.4Å; E105-R108 PolarHBondContact O-N 2.89Å; E105-A109 WeakPolarHBondContact O-CB 3.31Å; E105-A109 PolarHBondContact O-N 3.38Å
106L98.4Very high96Very high6 Ų661.3 Ų61.33%0.03133%0.331CS..Hα-helixtrans-63.3-39.3176.3-72.8173.5000112.1A93 V95 V102 Y104 A109 A110 V117 I133A93-L106 HydrophobicContact CB-CD1 4.25Å; A93-L106 HydrophobicContact CB-CD2 3.89Å; A93-L106 HydrophobicContact CB-CG 4.36Å; V95-L106 HydrophobicContact CG1-CD1 3.8Å; V102-L106 HydrophobicContact CG1-CD1 3.91Å; V102-L106 HydrophobicContact CG1-CG 4.35Å; V102-L106 WeakPolarHBondContact O-CB 3.21Å; V102-L106 VanDerWaalsContact O-CG 3.28Å; V102-L106 WeakPolarHBondContact O-CG 3.49Å; V102-L106 PolarHBondContact O-N 3.37Å; Y104-L106 PolarHBondContact O-N 3.19Å; L106-A109 PolarHBondContact O-N 2.98Å; L106-A110 VanDerWaalsContact O-CB 3.27Å; L106-A110 WeakPolarHBondContact O-CB 2.96Å; L106-A110 PolarHBondContact O-N 3.46Å; L106-V117 HydrophobicContact CD2-CG1 3.56Å; L106-I133 HydrophobicContact CB-CD1 4.34Å; L106-I133 HydrophobicContact CD1-CD1 3.86Å; L106-I133 HydrophobicContact CD1-CG2 4.31Å
107G97.8Very high96Very high42 Ų4261.1 Ų61.143%0.43333%0.33SS..Hα-helixtrans-60.9-44173.700000112.3G103 Y104 E105 A110 D111G103-G107 PolarHBondContact O-N 2.9Å; Y104-G107 PolarHBondContact O-N 2.89Å; Y104-G107 VanDerWaalsContact O-N 3.16Å; E105-G107 VanDerWaalsContact C-N 3.34Å; E105-G107 PolarHBondContact O-N 3.4Å; G107-A110 PolarHBondContact O-N 2.77Å; G107-D111 PolarHBondContact O-N 2.97Å
108R97.9Very high96.1Very high82 Ų8260 Ų6031%0.30933%0.325SS..Hα-helixtrans-66.1-42.1175.8-62.3-59.5-62-92-3111.8L82 L85 Y104 E105 A110 D111 M112L82-R108 VanDerWaalsContact CD1-NH1 3.31Å; L82-R108 HydrophobicContact CD2-CB 4.34Å; L82-R108 HydrophobicContact CD2-CG 4.01Å; L85-R108 HydrophobicContact CD2-CB 3.82Å; Y104-R108 HydrophobicContact CD1-CG 4.37Å; Y104-R108 HydrophobicContact CE1-CG 4.02Å; Y104-R108 HydrophobicContact CE2-CG 4.3Å; Y104-R108 WeakPolarHBondContact O-CG 3.31Å; Y104-R108 PolarHBondContact O-N 3.12Å; Y104-R108 PolarHBondContact OH-NH1 3.46Å; E105-R108 PolarHBondContact O-N 2.89Å; R108-A110 VanDerWaalsContact C-N 3.34Å; R108-D111 PolarHBondContact O-N 2.89Å; R108-M112 WeakPolarHBondContact O-CG 3.37Å; R108-M112 PolarHBondContact O-N 3.08Å
109A97.3Very high96.2Very high0 Ų056.1 Ų56.10%030%0.3CS..Hα-helixtrans-65-37.2176.400000112.3L85 V91 E105 L106 D111 M112 V117L85-A109 HydrophobicContact CD1-CB 4.28Å; V91-A109 HydrophobicContact CG2-CB 4.08Å; E105-A109 WeakPolarHBondContact O-CB 3.31Å; E105-A109 PolarHBondContact O-N 3.38Å; L106-A109 PolarHBondContact O-N 2.98Å; A109-D111 VanDerWaalsContact C-N 3.31Å; A109-D111 PolarHBondContact O-N 2.85Å; A109-M112 PolarHBondContact O-N 2.83Å; A109-M112 VanDerWaalsContact O-O 3.14Å; A109-V117 HydrophobicContact CB-CG2 4.06Å
110A94.8Very high96.2Very high33 Ų3354.8 Ų54.827%0.27329%0.291SS..Hα-helixtrans-63.4-37178.200000112.2L106 G107 R108 R141 L142L106-A110 VanDerWaalsContact O-CB 3.27Å; L106-A110 WeakPolarHBondContact O-CB 2.96Å; L106-A110 PolarHBondContact O-N 3.46Å; G107-A110 PolarHBondContact O-N 2.77Å; R108-A110 VanDerWaalsContact C-N 3.34Å; A110-R141 PolarHBondContact O-NH1 2.87Å; A110-R141 PolarHBondContact O-NH2 3.09Å; A110-L142 HydrophobicContact CB-CD1 4.38Å
111D94.8Very high96.3Very high131 Ų13147.2 Ų47.270%0.70125%0.251SS*.Hα-helixtrans-74.3-26.7176.7-165.445.3000112.8G107 R108 A109 K113G107-D111 PolarHBondContact O-N 2.97Å; R108-D111 PolarHBondContact O-N 2.89Å; A109-D111 VanDerWaalsContact C-N 3.31Å; A109-D111 PolarHBondContact O-N 2.85Å; D111-K113 PolarHBondContact O-N 3.15Å
112M94.4Very high96.3Very high38 Ų3846.2 Ų46.219%0.18724%0.235CC..SBendtrans-74.592.5169.9-63.3174.9-165.500110.2L85 Q86 R108 A109 E114 K115 R141L85-M112 HydrophobicContact CD2-CE 4.14Å; L85-M112 HydrophobicContact CG-CE 4.22Å; L85-M112 HydrophobicContact CG-SD 4.38Å; Q86-M112 HydrophobicContact CG-CE 3.65Å; Q86-M112 HydrophobicContact CG-SD 4.39Å; R108-M112 WeakPolarHBondContact O-CG 3.37Å; R108-M112 PolarHBondContact O-N 3.08Å; A109-M112 PolarHBondContact O-N 2.83Å; A109-M112 VanDerWaalsContact O-O 3.14Å; M112-E114 PolarHBondContact O-N 3.33Å; M112-K115 HydrophobicContact CB-CB 4.38Å; M112-K115 HydrophobicContact CB-CG 3.47Å; M112-K115 VanDerWaalsContact CB-CG 3.47Å; M112-K115 HydrophobicContact CG-CG 4.39Å; M112-K115 PolarHBondContact O-N 2.94Å; M112-K115 HydrophobicContact SD-CD 4.47Å; M112-K115 HydrophobicContact SD-CG 4.06Å; M112-R141 PolarHBondContact O-NH1 2.56Å
113K83.9Confident96.3Very high180 Ų18049 Ų4978%0.78325%0.253SS*.THydrogen-bonded Turntrans-51.3-22.2-171.2-63.7-176-179.4179.10116.3D111 R141D111-K113 PolarHBondContact O-N 3.15Å; K113-R141 WeakPolarHBondContact O-CD 3.41Å
114E88.2Confident96.2Very high181 Ų18152.4 Ų52.485%0.84627%0.272SS*.THydrogen-bonded Turntrans-92.7-17.6-176.3-66.9161-157.300113.4M112 K116M112-E114 PolarHBondContact O-N 3.33Å; E114-K116 PolarHBondContact O-N 3.21Å
115K93.2Very high96.1Very high18 Ų1849.9 Ų49.98%0.07827%0.269CS..  trans-73.3123.8-171.9-62.1-67.6171.6168.20111.7L85 Q86 S88 M112 V117 R141L85-K115 WeakPolarHBondContact O-CE 3.37Å; L85-K115 PolarHBondContact O-NZ 3.07Å; Q86-K115 VanDerWaalsContact C-NZ 3.31Å; Q86-K115 PolarHBondContact O-NZ 2.93Å; S88-K115 PolarHBondContact O-NZ 3.09Å; S88-K115 PolarHBondContact OG-NZ 3.31Å; M112-K115 HydrophobicContact CB-CB 4.38Å; M112-K115 HydrophobicContact CB-CG 3.47Å; M112-K115 VanDerWaalsContact CB-CG 3.47Å; M112-K115 HydrophobicContact CG-CG 4.39Å; M112-K115 PolarHBondContact O-N 2.94Å; M112-K115 HydrophobicContact SD-CD 4.47Å; M112-K115 HydrophobicContact SD-CG 4.06Å; K115-V117 HydrophobicContact CB-CG2 4.34Å; K115-R141 VanDerWaalsContact O-CD 3.28Å; K115-R141 WeakPolarHBondContact O-CD 3.33Å; K115-R141 WeakPolarHBondContact O-CG 3.4Å
116K96.6Very high96Very high67 Ų6752.2 Ų52.229%0.29130%0.3SS..EExtended strand (participates in β ladder)trans-81.7128.1166.2-64.3-67.7-171-179.90109V90 V91 E114 R140 R141 F159 L163V90-K116 CarbonylContact C-O 3.52Å; V90-K116 WeakPolarHBondContact CA-O 3.3Å; V90-K116 HydrophobicContact CG2-CB 4.48Å; V91-K116 PolarHBondContact N-O 2.78Å; E114-K116 PolarHBondContact O-N 3.21Å; K116-R140 PolarHBondContact NZ-O 3.31Å; K116-R141 HydrophobicContact CD-CB 4.47Å; K116-R141 HydrophobicContact CD-CG 4.24Å; K116-F159 HydrophobicContact CB-CZ 4.3Å; K116-L163 HydrophobicContact CB-CD2 4.03Å; K116-L163 HydrophobicContact CD-CD2 4.14Å; K116-L163 HydrophobicContact CG-CD2 3.75Å
117V98.3Very high95.8Very high1 Ų157.7 Ų57.71%0.00632%0.32CS..EExtended strand (participates in β ladder)trans-126.7126.4-173.6-175.30000109.2V91 L106 A109 K115 R141 L142 L143V91-V117 HydrophobicContact CB-CB 4.44Å; V91-V117 HydrophobicContact CB-CG1 4.23Å; V91-V117 HydrophobicContact CB-CG2 4.11Å; V91-V117 HydrophobicContact CG1-CG1 4.32Å; V91-V117 HydrophobicContact CG2-CG2 4.39Å; V91-V117 CarbonylContact O-C 3.56Å; V91-V117 WeakPolarHBondContact O-CA 3.48Å; L106-V117 HydrophobicContact CD2-CG1 3.56Å; A109-V117 HydrophobicContact CB-CG2 4.06Å; K115-V117 HydrophobicContact CB-CG2 4.34Å; V117-R141 PolarHBondContact N-O 2.87Å; V117-L142 HydrophobicContact CB-CB 4.45Å; V117-L142 HydrophobicContact CB-CG 4.06Å; V117-L142 HydrophobicContact CG1-CG 4.15Å; V117-L143 PolarHBondContact O-N 2.97Å
118L98.8Very high95.8Very high1 Ų160.2 Ų60.21%0.00534%0.337CS..EExtended strand (participates in β ladder)trans-114.2115.8170.2174.766.1000109.3V91 V92 A93 L120 L143 V145 V155 L156 F159V91-L118 PolarHBondContact O-N 3.45Å; V92-L118 CarbonylContact C-O 3.6Å; V92-L118 WeakPolarHBondContact CA-O 3.3Å; V92-L118 HydrophobicContact CG1-CD2 4.43Å; V92-L118 HydrophobicContact CG2-CB 4.46Å; A93-L118 PolarHBondContact N-O 2.77Å; L118-L120 HydrophobicContact CD1-CD2 4.31Å; L118-L120 HydrophobicContact CD2-CD2 3.94Å; L118-L120 HydrophobicContact CD2-CG 4.41Å; L118-L120 HydrophobicContact CG-CD2 4.03Å; L118-L120 HydrophobicContact CG-CG 4.33Å; L118-L143 HydrophobicContact CD1-CB 4.15Å; L118-V145 HydrophobicContact CD1-CB 4.26Å; L118-V145 HydrophobicContact CD1-CG2 3.62Å; L118-V155 HydrophobicContact CD2-CG1 4.4Å; L118-L156 HydrophobicContact CD2-CD2 3.97Å; L118-F159 HydrophobicContact CB-CD1 3.98Å; L118-F159 HydrophobicContact CB-CD2 4.12Å; L118-F159 HydrophobicContact CB-CE1 3.71Å; L118-F159 HydrophobicContact CB-CE2 3.9Å; L118-F159 HydrophobicContact CB-CG 4.15Å; L118-F159 HydrophobicContact CB-CZ 3.68Å; L118-F159 HydrophobicContact CD1-CD2 4.4Å; L118-F159 HydrophobicContact CD1-CG 4.49Å; L118-F159 HydrophobicContact CD2-CB 3.87Å; L118-F159 HydrophobicContact CD2-CD1 3.68Å; L118-F159 HydrophobicContact CD2-CD2 4.4Å; L118-F159 HydrophobicContact CD2-CE1 4.24Å; L118-F159 HydrophobicContact CD2-CG 3.74Å; L118-F159 HydrophobicContact CG-CD1 4.41Å; L118-F159 HydrophobicContact CG-CG 4.35Å
119C98.8Very high95.8Very high0 Ų057.3 Ų57.30%033%0.328CS..EExtended strand (participates in β ladder)trans-97.1127.5169.1-62.90000109.5A93 V95 L143 V144 V145A93-C119 CarbonylContact O-C 3.57Å; A93-C119 WeakPolarHBondContact O-CA 3.46Å; V95-C119 HydrophobicContact CG1-CB 4.25Å; V95-C119 HydrophobicContact CG2-CB 3.98Å; C119-L143 WeakPolarHBondContact CB-O 3.47Å; C119-L143 PolarHBondContact N-O 3.31Å; C119-V144 HydrophobicContact CB-CB 4.41Å; C119-V144 HydrophobicContact CB-CG2 3.86Å; C119-V144 WeakPolarHBondContact O-CA 3.32Å; C119-V145 PolarHBondContact O-N 2.95Å
120L98.8Very high95.9Very high0 Ų060.3 Ų60.30%035%0.349CS..EExtended strand (participates in β ladder)trans-104.8124.6177.1-62175.4000108.9I42 V92 A93 V95 L118 Y147 L152 V155 L156I42-L120 HydrophobicContact CD1-CD1 4.37Å; V92-L120 HydrophobicContact CG1-CD1 4.12Å; A93-L120 PolarHBondContact O-N 3.45Å; V95-L120 VanDerWaalsContact CG2-O 3.24Å; V95-L120 WeakPolarHBondContact CG2-O 3.4Å; V95-L120 PolarHBondContact N-O 2.76Å; L118-L120 HydrophobicContact CD1-CD2 4.31Å; L118-L120 HydrophobicContact CD2-CD2 3.94Å; L118-L120 HydrophobicContact CD2-CG 4.41Å; L118-L120 HydrophobicContact CG-CD2 4.03Å; L118-L120 HydrophobicContact CG-CG 4.33Å; L120-Y147 HydrophobicContact CB-CD1 3.93Å; L120-Y147 HydrophobicContact CB-CE1 3.59Å; L120-Y147 HydrophobicContact CD2-CD1 4.43Å; L120-L152 HydrophobicContact CD1-CD1 4.01Å; L120-V155 HydrophobicContact CD2-CG1 3.6Å; L120-L156 HydrophobicContact CD1-CD2 4.45Å
121F98.8Very high96Very high6 Ų662.8 Ų62.83%0.02637%0.369CS..EExtended strand (participates in β ladder)trans-130.1136179.6178.7-106.9000111V95 T96 P123 R127 L129 R134 V145 D146 Y147V95-F121 HydrophobicContact CG2-CB 4.07Å; T96-F121 HydrophobicContact CG2-CE2 4.47Å; F121-P123 HydrophobicContact CD1-CG 4.1Å; F121-P123 HydrophobicContact CE1-CB 4.27Å; F121-P123 HydrophobicContact CE1-CG 4.15Å; F121-P123 VanDerWaalsContact O-CD 3.31Å; F121-P123 WeakPolarHBondContact O-CD 3.16Å; F121-R127 WeakPolarHBondContact CZ-O 3.24Å; F121-L129 HydrophobicContact CB-CD2 4.24Å; F121-L129 HydrophobicContact CD1-CB 4.21Å; F121-L129 HydrophobicContact CD2-CB 3.81Å; F121-L129 HydrophobicContact CD2-CD1 3.92Å; F121-L129 HydrophobicContact CD2-CD2 4.43Å; F121-L129 HydrophobicContact CD2-CG 4.26Å; F121-L129 HydrophobicContact CE1-CB 4.12Å; F121-L129 HydrophobicContact CE2-CB 3.75Å; F121-L129 HydrophobicContact CE2-CD1 4.36Å; F121-L129 HydrophobicContact CG-CB 4.05Å; F121-L129 HydrophobicContact CG-CD1 4.48Å; F121-L129 HydrophobicContact CG-CD2 4.2Å; F121-L129 HydrophobicContact CG-CG 4.48Å; F121-L129 HydrophobicContact CZ-CB 3.9Å; F121-R134 VanDerWaalsContact CD1-NH2 3.34Å; F121-V145 PolarHBondContact N-O 2.88Å; F121-D146 VanDerWaalsContact CD1-OD1 3.29Å; F121-D146 WeakPolarHBondContact CD1-OD1 3.46Å; F121-D146 CarbonylContact O-C 3.52Å; F121-D146 VanDerWaalsContact O-CA 3.28Å; F121-D146 WeakPolarHBondContact O-CA 3.34Å; F121-Y147 VanDerWaalsContact O-CD1 3.31Å; F121-Y147 WeakPolarHBondContact O-CD1 3.44Å; F121-Y147 PolarHBondContact O-N 3.35Å
122R98.3Very high96.2Very high19 Ų1963.8 Ų63.87%0.07237%0.371CS..  trans-103.4100.2178.7-56.3-167-53.8-68.75110.6D35 E94 T96 S124 S125 Y147 E149D35-R122 IonicContact OD1-NH2 3.3Å; D35-R122 PolarHBondContact OD1-NH2 2.73Å; D35-R122 IonicContact OD2-CZ 3.16Å; D35-R122 VanDerWaalsContact OD2-CZ 3.3Å; D35-R122 IonicContact OD2-NH1 3.32Å; D35-R122 PolarHBondContact OD2-NH1 2.93Å; D35-R122 IonicContact OD2-NH2 3.62Å; D35-R122 PolarHBondContact OD2-NH2 3.48Å; E94-R122 IonicContact OE1-CZ 3.64Å; E94-R122 IonicContact OE1-NH1 3.1Å; E94-R122 PolarHBondContact OE1-NH1 3.35Å; E94-R122 IonicContact OE2-NH1 2.78Å; T96-R122 HydrophobicContact CG2-CB 4.14Å; T96-R122 PolarHBondContact OG1-N 3.13Å; T96-R122 PolarHBondContact OG1-NH1 3.36Å; R122-S124 PolarHBondContact O-N 3.11Å; R122-S125 WeakPolarHBondContact O-CB 3.49Å; R122-S125 PolarHBondContact O-N 3.01Å; R122-S125 VanDerWaalsContact O-N 3.09Å; R122-S125 PolarHBondContact O-OG 3.12Å; R122-Y147 WeakPolarHBondContact CA-O 3.3Å; R122-Y147 HydrophobicContact CG-CD1 3.92Å; R122-Y147 HydrophobicContact CG-CE1 3.29Å; R122-E149 IonicContact NE-OE1 2.76Å
123P97.8Very high96.3Very high65 Ų6563.4 Ų63.442%0.42237%0.369SS..G310 helixtrans-62.6-25.2179.3-20.532.4000113.5F121 S125 G126 D146F121-P123 HydrophobicContact CD1-CG 4.1Å; F121-P123 HydrophobicContact CE1-CB 4.27Å; F121-P123 HydrophobicContact CE1-CG 4.15Å; F121-P123 VanDerWaalsContact O-CD 3.31Å; F121-P123 WeakPolarHBondContact O-CD 3.16Å; P123-S125 PolarHBondContact O-N 3.13Å; P123-S125 VanDerWaalsContact O-N 3.16Å; P123-G126 PolarHBondContact O-N 3.25Å; P123-D146 HydrophobicContact CG-CB 3.71Å
124S96.8Very high97Very high104 Ų10459.3 Ų59.373%0.72735%0.349SS*.G310 helixtrans-63.8-14.2176.655.50000113.5R122 G126R122-S124 PolarHBondContact O-N 3.11Å; S124-G126 PolarHBondContact O-N 2.87Å
125S96.1Very high97.5Very high47 Ų4753.8 Ų53.833%0.32934%0.341SS..G310 helixtrans-68.6-8.9176.185.70000113.5T96 R122 P123 R127T96-S125 VanDerWaalsContact CG2-CB 3.43Å; T96-S125 WeakPolarHBondContact CG2-OG 3.39Å; R122-S125 WeakPolarHBondContact O-CB 3.49Å; R122-S125 PolarHBondContact O-N 3.01Å; R122-S125 VanDerWaalsContact O-N 3.09Å; R122-S125 PolarHBondContact O-OG 3.12Å; P123-S125 PolarHBondContact O-N 3.13Å; P123-S125 VanDerWaalsContact O-N 3.16Å; S125-R127 PolarHBondContact O-N 3.48Å; S125-R127 WeakPolarHBondContact OG-CB 3.31Å; S125-R127 WeakPolarHBondContact OG-CG 3.28Å; S125-R127 PolarHBondContact OG-N 3.3Å
126G96.1Very high97.6Very high76 Ų7655.2 Ų55.278%0.78436%0.356SS*.SBendtrans71.63.7-174.700000114.3P123 S124P123-G126 PolarHBondContact O-N 3.25Å; S124-G126 PolarHBondContact O-N 2.87Å
127R95.3Very high97.7Very high120 Ų12054 Ų5445%0.45336%0.358SS..PPolyproline II helixtrans-88.1159.4177-62.7175.8179.6-894.6110.1T96 F121 S125T96-R127 WeakPolarHBondContact O-CD 3.49Å; F121-R127 WeakPolarHBondContact CZ-O 3.24Å; S125-R127 PolarHBondContact O-N 3.48Å; S125-R127 WeakPolarHBondContact OG-CB 3.31Å; S125-R127 WeakPolarHBondContact OG-CG 3.28Å; S125-R127 PolarHBondContact OG-N 3.3Å
128A96.8Very high97.5Very high95 Ų9557.5 Ų57.579%0.78538%0.377SS*.PPolyproline II helixtrans-102128.6164.200000109.1
129L98.2Very high97.2Very high22 Ų2260.3 Ų60.312%0.11541%0.406CS..PPolyproline II helixtrans-62.6142.1172.4-178.360000110.1V95 F121 A131 I133 R134 V144V95-L129 HydrophobicContact CB-CD1 3.96Å; V95-L129 HydrophobicContact CG2-CD1 3.61Å; V95-L129 HydrophobicContact CG2-CD2 4.31Å; V95-L129 WeakPolarHBondContact O-CD1 3.41Å; F121-L129 HydrophobicContact CB-CD2 4.24Å; F121-L129 HydrophobicContact CD1-CB 4.21Å; F121-L129 HydrophobicContact CD2-CB 3.81Å; F121-L129 HydrophobicContact CD2-CD1 3.92Å; F121-L129 HydrophobicContact CD2-CD2 4.43Å; F121-L129 HydrophobicContact CD2-CG 4.26Å; F121-L129 HydrophobicContact CE1-CB 4.12Å; F121-L129 HydrophobicContact CE2-CB 3.75Å; F121-L129 HydrophobicContact CE2-CD1 4.36Å; F121-L129 HydrophobicContact CG-CB 4.05Å; F121-L129 HydrophobicContact CG-CD1 4.48Å; F121-L129 HydrophobicContact CG-CD2 4.2Å; F121-L129 HydrophobicContact CG-CG 4.48Å; F121-L129 HydrophobicContact CZ-CB 3.9Å; L129-A131 PolarHBondContact O-N 3.46Å; L129-I133 HydrophobicContact CD1-CB 4.3Å; L129-I133 HydrophobicContact CD1-CG2 4.23Å; L129-I133 HydrophobicContact CD2-CG2 4.32Å; L129-I133 HydrophobicContact CG-CB 4.45Å; L129-R134 HydrophobicContact CD2-CB 4.11Å; L129-R134 HydrophobicContact CG-CB 4.47Å; L129-V144 HydrophobicContact CD2-CG1 3.59Å
130S98.1Very high96.8Very high63 Ų6370.2 Ų70.244%0.44144%0.443SS..PPolyproline II helixtrans-49.9129173.91730000111.8M132 I133 R134S130-M132 PolarHBondContact O-N 3.16Å; S130-M132 PolarHBondContact OG-N 3.11Å; S130-I133 PolarHBondContact O-N 3.36Å; S130-I133 VanDerWaalsContact O-N 3.09Å; S130-R134 PolarHBondContact O-N 2.87Å
131A98.2Very high96.6Very high84 Ų8472.8 Ų72.869%0.69445%0.453SS*.Hα-helixtrans-58.7-30.3176.500000112.3L129 G135L129-A131 PolarHBondContact O-N 3.46Å; A131-G135 WeakPolarHBondContact O-CA 3.33Å; A131-G135 PolarHBondContact O-N 3.1Å
132M98Very high96.5Very high152 Ų15272.8 Ų72.875%0.74945%0.453SS*.Hα-helixtrans-67.8-41.7176.3-67.5-65.5-70.300111.9S130 A136S130-M132 PolarHBondContact O-N 3.16Å; S130-M132 PolarHBondContact OG-N 3.11Å; M132-A136 WeakPolarHBondContact O-CB 3.43Å; M132-A136 PolarHBondContact O-N 3.4Å; M132-A136 VanDerWaalsContact O-N 3.16Å
133I98.3Very high96.5Very high30 Ų3073.9 Ų73.915%0.15446%0.461CS..Hα-helixtrans-72.6-45.6177.9-59.3-55.7000110.3L106 L129 S130 G135 A136L106-I133 HydrophobicContact CB-CD1 4.34Å; L106-I133 HydrophobicContact CD1-CD1 3.86Å; L106-I133 HydrophobicContact CD1-CG2 4.31Å; L129-I133 HydrophobicContact CD1-CB 4.3Å; L129-I133 HydrophobicContact CD1-CG2 4.23Å; L129-I133 HydrophobicContact CD2-CG2 4.32Å; L129-I133 HydrophobicContact CG-CB 4.45Å; S130-I133 PolarHBondContact O-N 3.36Å; S130-I133 VanDerWaalsContact O-N 3.09Å; I133-G135 PolarHBondContact O-N 2.98Å; I133-A136 PolarHBondContact O-N 3.15Å
134R98.2Very high96.6Very high95 Ų9572.3 Ų72.336%0.35845%0.45SS..Hα-helixtrans-63.6-41.6178.6-167.8170.1-70.3-87.6-2.3111.9F121 L129 S130 A136 A137 D146F121-R134 VanDerWaalsContact CD1-NH2 3.34Å; L129-R134 HydrophobicContact CD2-CB 4.11Å; L129-R134 HydrophobicContact CG-CB 4.47Å; S130-R134 PolarHBondContact O-N 2.87Å; R134-A136 VanDerWaalsContact C-N 3.3Å; R134-A136 PolarHBondContact O-N 3.4Å; R134-A137 WeakPolarHBondContact O-CB 3.49Å; R134-A137 PolarHBondContact O-N 2.62Å; R134-D146 IonicContact CZ-OD1 2.87Å; R134-D146 IonicContact CZ-OD2 3.75Å; R134-D146 IonicContact NH1-OD1 2.69Å; R134-D146 PolarHBondContact NH1-OD1 3.3Å; R134-D146 VanDerWaalsContact NH1-OD1 3.15Å; R134-D146 IonicContact NH1-OD2 2.7Å; R134-D146 PolarHBondContact NH1-OD2 3.11Å; R134-D146 VanDerWaalsContact NH1-OD2 3.08Å; R134-D146 IonicContact NH2-OD1 3.89Å; R134-D146 PolarHBondContact NH2-OD1 3.43Å; R134-D146 IonicContact NH2-OD2 3.54Å
135G97.8Very high96.6Very high65 Ų6569.4 Ų69.467%0.6743%0.427SS*.Hα-helixtrans-72.7-18.3178.600000114.5A131 I133 A137A131-G135 WeakPolarHBondContact O-CA 3.33Å; A131-G135 PolarHBondContact O-N 3.1Å; I133-G135 PolarHBondContact O-N 2.98Å; G135-A137 VanDerWaalsContact C-N 3.26Å; G135-A137 PolarHBondContact O-N 3.16Å
136A96.5Very high96.8Very high47 Ų4770.8 Ų70.839%0.38843%0.431SS..THydrogen-bonded Turntrans-76.7-12.1174.400000113.3M132 I133 R134 D138 L142M132-A136 WeakPolarHBondContact O-CB 3.43Å; M132-A136 PolarHBondContact O-N 3.4Å; M132-A136 VanDerWaalsContact O-N 3.16Å; I133-A136 PolarHBondContact O-N 3.15Å; R134-A136 VanDerWaalsContact C-N 3.3Å; R134-A136 PolarHBondContact O-N 3.4Å; A136-D138 PolarHBondContact O-N 3.37Å; A136-L142 HydrophobicContact CB-CD1 4Å; A136-L142 HydrophobicContact CB-CD2 4.48Å
137A97Very high96.9Very high41 Ų4167.5 Ų67.534%0.33940%0.395SS..  trans-66.3123.8177.700000110.9R134 G135 L142 V144R134-A137 WeakPolarHBondContact O-CB 3.49Å; R134-A137 PolarHBondContact O-N 2.62Å; G135-A137 VanDerWaalsContact C-N 3.26Å; G135-A137 PolarHBondContact O-N 3.16Å; A137-L142 WeakPolarHBondContact CA-O 3.35Å; A137-L142 HydrophobicContact CB-CD2 4.12Å; A137-V144 HydrophobicContact CB-CB 4.24Å; A137-V144 HydrophobicContact CB-CG2 3.87Å
138D94.7Very high97Very high76 Ų7663.4 Ų63.441%0.40639%0.385SS..  trans-108.20.5-179.667.311000112.7A136 R140 R141 L142A136-D138 PolarHBondContact O-N 3.37Å; D138-R140 PolarHBondContact O-N 2.86Å; D138-R140 PolarHBondContact OD1-N 3.36Å; D138-R141 PolarHBondContact OD1-N 2.7Å; D138-R141 IonicContact OD2-NE 3.2Å; D138-L142 PolarHBondContact N-O 3.21Å; D138-L142 PolarHBondContact OD1-N 3.18Å
139G92.5Very high97Very high60 Ų6062 Ų6262%0.61936%0.362SS*.SBendtrans69.46.5179.800000114.5L142 L143G139-L142 PolarHBondContact N-O 3.18Å; G139-L143 VanDerWaalsContact C-CD2 3.45Å
140R91.1Very high97Very high207 Ų20768.6 Ų68.678%0.78139%0.392SS*.SBendtrans-130.2-49.7-176.2-72.1-178.262.9123.11.3113.4K116 D138K116-R140 PolarHBondContact NZ-O 3.31Å; D138-R140 PolarHBondContact O-N 2.86Å; D138-R140 PolarHBondContact OD1-N 3.36Å
141R93.9Very high97Very high54 Ų5470.3 Ų70.320%0.20439%0.393CS..SBendtrans-117.3-41.7-173.8-179-178.65898.93110.4A110 M112 K113 K115 K116 V117 D138A110-R141 PolarHBondContact O-NH1 2.87Å; A110-R141 PolarHBondContact O-NH2 3.09Å; M112-R141 PolarHBondContact O-NH1 2.56Å; K113-R141 WeakPolarHBondContact O-CD 3.41Å; K115-R141 VanDerWaalsContact O-CD 3.28Å; K115-R141 WeakPolarHBondContact O-CD 3.33Å; K115-R141 WeakPolarHBondContact O-CG 3.4Å; K116-R141 HydrophobicContact CD-CB 4.47Å; K116-R141 HydrophobicContact CD-CG 4.24Å; V117-R141 PolarHBondContact N-O 2.87Å; D138-R141 PolarHBondContact OD1-N 2.7Å; D138-R141 IonicContact OD2-NE 3.2Å
142L97.1Very high97Very high6 Ų666.5 Ų66.53%0.03136%0.361CS..EExtended strand (participates in β ladder)trans-107.9114.9170.8-162.2157.6000108.7A110 V117 A136 A137 D138 G139 V144A110-L142 HydrophobicContact CB-CD1 4.38Å; V117-L142 HydrophobicContact CB-CB 4.45Å; V117-L142 HydrophobicContact CB-CG 4.06Å; V117-L142 HydrophobicContact CG1-CG 4.15Å; A136-L142 HydrophobicContact CB-CD1 4Å; A136-L142 HydrophobicContact CB-CD2 4.48Å; A137-L142 WeakPolarHBondContact CA-O 3.35Å; A137-L142 HydrophobicContact CB-CD2 4.12Å; D138-L142 PolarHBondContact N-O 3.21Å; D138-L142 PolarHBondContact OD1-N 3.18Å; G139-L142 PolarHBondContact N-O 3.18Å; L142-V144 HydrophobicContact CD2-CG2 4.02Å
143L98.4Very high96.9Very high43 Ų4363.9 Ų63.923%0.22535%0.347CS..EExtended strand (participates in β ladder)trans-109.6139.5177.4-56.2-179000109.1V117 L118 C119 G139 F159V117-L143 PolarHBondContact O-N 2.97Å; L118-L143 HydrophobicContact CD1-CB 4.15Å; C119-L143 WeakPolarHBondContact CB-O 3.47Å; C119-L143 PolarHBondContact N-O 3.31Å; G139-L143 VanDerWaalsContact C-CD2 3.45Å; L143-F159 HydrophobicContact CD1-CD2 3.79Å; L143-F159 HydrophobicContact CD1-CE2 4Å
144V98.6Very high96.9Very high31 Ų3165.6 Ų65.619%0.18837%0.366CS..EExtended strand (participates in β ladder)trans-117.7120.6166174.80000106.4C119 L129 A137 L142C119-V144 HydrophobicContact CB-CB 4.41Å; C119-V144 HydrophobicContact CB-CG2 3.86Å; C119-V144 WeakPolarHBondContact O-CA 3.32Å; L129-V144 HydrophobicContact CD2-CG1 3.59Å; A137-V144 HydrophobicContact CB-CB 4.24Å; A137-V144 HydrophobicContact CB-CG2 3.87Å; L142-V144 HydrophobicContact CD2-CG2 4.02Å
145V98.6Very high96.9Very high43 Ų4362.1 Ų62.126%0.26136%0.355SS..EExtended strand (participates in β ladder)trans-116.2116.3179.6-179.20000108.4L118 C119 F121 V155L118-V145 HydrophobicContact CD1-CB 4.26Å; L118-V145 HydrophobicContact CD1-CG2 3.62Å; C119-V145 PolarHBondContact O-N 2.95Å; F121-V145 PolarHBondContact N-O 2.88Å; V145-V155 HydrophobicContact CB-CG1 4.25Å; V145-V155 HydrophobicContact CG1-CG1 3.85Å; V145-V155 HydrophobicContact CG1-CG2 4.05Å; V145-V155 HydrophobicContact CG2-CG1 4.47Å
146D98.6Very high96.9Very high77 Ų7759 Ų5941%0.41232%0.323SS..EExtended strand (participates in β ladder)trans-73.4123.2165.8-64.7-19.1000107.6F121 P123 R134F121-D146 VanDerWaalsContact CD1-OD1 3.29Å; F121-D146 WeakPolarHBondContact CD1-OD1 3.46Å; F121-D146 CarbonylContact O-C 3.52Å; F121-D146 VanDerWaalsContact O-CA 3.28Å; F121-D146 WeakPolarHBondContact O-CA 3.34Å; P123-D146 HydrophobicContact CG-CB 3.71Å; R134-D146 IonicContact CZ-OD1 2.87Å; R134-D146 IonicContact CZ-OD2 3.75Å; R134-D146 IonicContact NH1-OD1 2.69Å; R134-D146 PolarHBondContact NH1-OD1 3.3Å; R134-D146 VanDerWaalsContact NH1-OD1 3.15Å; R134-D146 IonicContact NH1-OD2 2.7Å; R134-D146 PolarHBondContact NH1-OD2 3.11Å; R134-D146 VanDerWaalsContact NH1-OD2 3.08Å; R134-D146 IonicContact NH2-OD1 3.89Å; R134-D146 PolarHBondContact NH2-OD1 3.43Å; R134-D146 IonicContact NH2-OD2 3.54Å
147Y98.4Very high96.9Very high6 Ų659.5 Ų59.52%0.02432%0.319CS..  trans-140.6162-173.986.6-62.8000112.7L120 F121 R122 L152L120-Y147 HydrophobicContact CB-CD1 3.93Å; L120-Y147 HydrophobicContact CB-CE1 3.59Å; L120-Y147 HydrophobicContact CD2-CD1 4.43Å; F121-Y147 VanDerWaalsContact O-CD1 3.31Å; F121-Y147 WeakPolarHBondContact O-CD1 3.44Å; F121-Y147 PolarHBondContact O-N 3.35Å; R122-Y147 WeakPolarHBondContact CA-O 3.3Å; R122-Y147 HydrophobicContact CG-CD1 3.92Å; R122-Y147 HydrophobicContact CG-CE1 3.29Å; Y147-L152 HydrophobicContact CD2-CB 4.45Å; Y147-L152 HydrophobicContact CE2-CB 4.13Å; Y147-L152 HydrophobicContact CE2-CD1 3.96Å
148S98.2Very high96.9Very high34 Ų3467.4 Ų67.424%0.23834%0.34CS..  trans-106158161.2810000110.8E150 Q151S148-E150 WeakPolarHBondContact CB-OE2 3.38Å; S148-E150 PolarHBondContact O-N 2.71Å; S148-E150 VanDerWaalsContact O-N 3.16Å; S148-E150 PolarHBondContact OG-OE2 3.47Å; S148-Q151 WeakPolarHBondContact O-CA 3.28Å; S148-Q151 WeakPolarHBondContact O-CB 3.5Å; S148-Q151 PolarHBondContact O-N 3.32Å; S148-Q151 WeakPolarHBondContact OG-CG 3.35Å
149E97.1Very high97Very high65 Ų6564.2 Ų64.230%0.30432%0.323SS..G310 helixtrans-60.8-29.2-175.6-65.4-175.3-151.900113.4L38 R41 R122 Q151 L152L38-E149 HydrophobicContact CD1-CG 3.93Å; L38-E149 HydrophobicContact CD2-CG 4.22Å; R41-E149 IonicContact CZ-OE2 3.38Å; R41-E149 IonicContact NH1-OE2 3.13Å; R41-E149 PolarHBondContact NH1-OE2 3.46Å; R122-E149 IonicContact NE-OE1 2.76Å; E149-Q151 PolarHBondContact O-N 2.74Å; E149-L152 VanDerWaalsContact O-CB 3.28Å; E149-L152 WeakPolarHBondContact O-CB 3.41Å; E149-L152 PolarHBondContact O-N 2.87Å
150E97.4Very high97.1Very high162 Ų16261.5 Ų61.576%0.75729%0.294SS*.G310 helixtrans-68.4-22.1175.5-53.774.6-158.600112.3S148S148-E150 WeakPolarHBondContact CB-OE2 3.38Å; S148-E150 PolarHBondContact O-N 2.71Å; S148-E150 VanDerWaalsContact O-N 3.16Å; S148-E150 PolarHBondContact OG-OE2 3.47Å
151Q97.9Very high97.2Very high98 Ų9854.7 Ų54.746%0.45828%0.278SS..G310 helixtrans-91.6-4.2179.5-61.8173.8-35.700112.7S148 E149 E153 A154 V155S148-Q151 WeakPolarHBondContact O-CA 3.28Å; S148-Q151 WeakPolarHBondContact O-CB 3.5Å; S148-Q151 PolarHBondContact O-N 3.32Å; S148-Q151 WeakPolarHBondContact OG-CG 3.35Å; E149-Q151 PolarHBondContact O-N 2.74Å; Q151-E153 PolarHBondContact O-N 3.4Å; Q151-A154 PolarHBondContact O-N 2.99Å; Q151-A154 VanDerWaalsContact O-N 3.13Å; Q151-V155 HydrophobicContact CB-CG2 4.34Å; Q151-V155 WeakPolarHBondContact O-CG2 3.21Å; Q151-V155 PolarHBondContact O-N 3.38Å
152L97.9Very high97Very high4 Ų454.7 Ų54.72%0.02129%0.286CS..Hα-helixtrans-51.1-53.6-17217659.6000112.2L38 I42 L120 Y147 E149 A154 V155 L156L38-L152 HydrophobicContact CD1-CD2 4.49Å; I42-L152 HydrophobicContact CG1-CD1 3.84Å; I42-L152 HydrophobicContact CG1-CD2 3.71Å; I42-L152 HydrophobicContact CG1-CG 4.44Å; L120-L152 HydrophobicContact CD1-CD1 4.01Å; Y147-L152 HydrophobicContact CD2-CB 4.45Å; Y147-L152 HydrophobicContact CE2-CB 4.13Å; Y147-L152 HydrophobicContact CE2-CD1 3.96Å; E149-L152 VanDerWaalsContact O-CB 3.28Å; E149-L152 WeakPolarHBondContact O-CB 3.41Å; E149-L152 PolarHBondContact O-N 2.87Å; L152-A154 PolarHBondContact O-N 3.08Å; L152-V155 PolarHBondContact O-N 3.06Å; L152-L156 HydrophobicContact CD1-CD1 3.92Å; L152-L156 HydrophobicContact CD1-CG 4.06Å; L152-L156 HydrophobicContact CG-CD1 4.19Å; L152-L156 WeakPolarHBondContact O-CG 3.48Å; L152-L156 PolarHBondContact O-N 3.32Å
153E97.4Very high96.6Very high98 Ų9856.1 Ų56.146%0.45829%0.294SS..Hα-helixtrans-59-46.8-179.5-69.9-172.6-122.300111.8E45 R48 Q151 V155 L156 D157E45-E153 HydrophobicContact CG-CG 4.27Å; R48-E153 IonicContact NH1-OE2 3.54Å; R48-E153 PolarHBondContact NH1-OE2 3.36Å; Q151-E153 PolarHBondContact O-N 3.4Å; E153-V155 VanDerWaalsContact C-N 3.33Å; E153-V155 PolarHBondContact O-N 2.84Å; E153-L156 PolarHBondContact O-N 3.15Å; E153-D157 WeakPolarHBondContact O-CB 3.35Å; E153-D157 PolarHBondContact O-N 2.97Å
154A97.9Very high95.1Very high65 Ų6557.9 Ų57.954%0.53730%0.301SS..Hα-helixtrans-64-37.2-17900000112.7Q151 L152 R158Q151-A154 PolarHBondContact O-N 2.99Å; Q151-A154 VanDerWaalsContact O-N 3.13Å; L152-A154 PolarHBondContact O-N 3.08Å; A154-R158 WeakPolarHBondContact O-CB 3.5Å; A154-R158 PolarHBondContact O-N 3.04Å
155V98.3Very high93Very high22 Ų2261.1 Ų61.113%0.13333%0.325CS..Hα-helixtrans-66.8-46.9176.21710000110.6L118 L120 V145 Q151 L152 E153 R158 F159L118-V155 HydrophobicContact CD2-CG1 4.4Å; L120-V155 HydrophobicContact CD2-CG1 3.6Å; V145-V155 HydrophobicContact CB-CG1 4.25Å; V145-V155 HydrophobicContact CG1-CG1 3.85Å; V145-V155 HydrophobicContact CG1-CG2 4.05Å; V145-V155 HydrophobicContact CG2-CG1 4.47Å; Q151-V155 HydrophobicContact CB-CG2 4.34Å; Q151-V155 WeakPolarHBondContact O-CG2 3.21Å; Q151-V155 PolarHBondContact O-N 3.38Å; L152-V155 PolarHBondContact O-N 3.06Å; E153-V155 VanDerWaalsContact C-N 3.33Å; E153-V155 PolarHBondContact O-N 2.84Å; V155-R158 PolarHBondContact O-N 3.02Å; V155-F159 WeakPolarHBondContact O-CB 3.39Å; V155-F159 PolarHBondContact O-N 3.47Å
156L97.9Very high90.2Very high0 Ų067.5 Ų67.50%036%0.364CS..Hα-helixtrans-63-47.2177.2-65.8-179.8000111.1E45 L46 Y49 V92 L118 L120 L152 E153 R158 F159 F160E45-L156 HydrophobicContact CB-CD1 3.72Å; L46-L156 HydrophobicContact CD2-CD1 4.25Å; L46-L156 HydrophobicContact CD2-CD2 4.01Å; Y49-L156 HydrophobicContact CE2-CB 4.06Å; V92-L156 HydrophobicContact CG1-CD2 4.38Å; L118-L156 HydrophobicContact CD2-CD2 3.97Å; L120-L156 HydrophobicContact CD1-CD2 4.45Å; L152-L156 HydrophobicContact CD1-CD1 3.92Å; L152-L156 HydrophobicContact CD1-CG 4.06Å; L152-L156 HydrophobicContact CG-CD1 4.19Å; L152-L156 WeakPolarHBondContact O-CG 3.48Å; L152-L156 PolarHBondContact O-N 3.32Å; E153-L156 PolarHBondContact O-N 3.15Å; L156-R158 VanDerWaalsContact C-N 3.32Å; L156-R158 PolarHBondContact O-N 2.69Å; L156-F159 PolarHBondContact O-N 2.98Å; L156-F159 VanDerWaalsContact O-N 3.14Å; L156-F160 HydrophobicContact CB-CD2 4.36Å; L156-F160 HydrophobicContact CB-CE2 4.48Å; L156-F160 HydrophobicContact CD2-CE2 4.27Å; L156-F160 VanDerWaalsContact O-CD2 3.23Å; L156-F160 WeakPolarHBondContact O-CD2 3.32Å; L156-F160 PolarHBondContact O-N 3.3Å
157D96.6Very high89.8Confident58 Ų5867.1 Ų67.131%0.3136%0.361SS..Hα-helixtrans-57.3-46.1178.9-92-35.9000111Y49 E153 S161Y49-D157 WeakPolarHBondContact OH-CA 3.3Å; Y49-D157 VanDerWaalsContact OH-CG 3.29Å; Y49-D157 PolarHBondContact OH-N 2.8Å; Y49-D157 VanDerWaalsContact OH-N 3.17Å; Y49-D157 PolarHBondContact OH-OD1 3.42Å; E153-D157 WeakPolarHBondContact O-CB 3.35Å; E153-D157 PolarHBondContact O-N 2.97Å; D157-S161 WeakPolarHBondContact O-CB 3.23Å; D157-S161 PolarHBondContact O-N 2.76Å; D157-S161 PolarHBondContact O-OG 3.16Å
158R96.1Very high89.3Confident206 Ų20670.3 Ų70.378%0.77738%0.379SS*.Hα-helixtrans-61.2-47176.7175.9179.6-88.3-162.5-4.2111.4A154 V155 L156 S162A154-R158 WeakPolarHBondContact O-CB 3.5Å; A154-R158 PolarHBondContact O-N 3.04Å; V155-R158 PolarHBondContact O-N 3.02Å; L156-R158 VanDerWaalsContact C-N 3.32Å; L156-R158 PolarHBondContact O-N 2.69Å; R158-S162 PolarHBondContact O-N 3.21Å; R158-S162 VanDerWaalsContact O-N 3.09Å
159F96.6Very high88.8Confident9 Ų972.3 Ų72.34%0.03939%0.387CS..Hα-helixtrans-62-54.7-178.7174.3-115.7000111.3V90 V92 K116 L118 L143 V155 L156 S161 S162 L163V90-F159 HydrophobicContact CG1-CE1 3.44Å; V90-F159 VanDerWaalsContact CG1-CE1 3.44Å; V90-F159 HydrophobicContact CG1-CZ 3.73Å; V92-F159 HydrophobicContact CG2-CE1 4.34Å; K116-F159 HydrophobicContact CB-CZ 4.3Å; L118-F159 HydrophobicContact CB-CD1 3.98Å; L118-F159 HydrophobicContact CB-CD2 4.12Å; L118-F159 HydrophobicContact CB-CE1 3.71Å; L118-F159 HydrophobicContact CB-CE2 3.9Å; L118-F159 HydrophobicContact CB-CG 4.15Å; L118-F159 HydrophobicContact CB-CZ 3.68Å; L118-F159 HydrophobicContact CD1-CD2 4.4Å; L118-F159 HydrophobicContact CD1-CG 4.49Å; L118-F159 HydrophobicContact CD2-CB 3.87Å; L118-F159 HydrophobicContact CD2-CD1 3.68Å; L118-F159 HydrophobicContact CD2-CD2 4.4Å; L118-F159 HydrophobicContact CD2-CE1 4.24Å; L118-F159 HydrophobicContact CD2-CG 3.74Å; L118-F159 HydrophobicContact CG-CD1 4.41Å; L118-F159 HydrophobicContact CG-CG 4.35Å; L143-F159 HydrophobicContact CD1-CD2 3.79Å; L143-F159 HydrophobicContact CD1-CE2 4Å; V155-F159 WeakPolarHBondContact O-CB 3.39Å; V155-F159 PolarHBondContact O-N 3.47Å; L156-F159 PolarHBondContact O-N 2.98Å; L156-F159 VanDerWaalsContact O-N 3.14Å; F159-S161 VanDerWaalsContact C-N 3.31Å; F159-S161 PolarHBondContact O-N 2.76Å; F159-S162 WeakPolarHBondContact O-CB 3.37Å; F159-S162 PolarHBondContact O-N 3.17Å; F159-S162 PolarHBondContact O-OG 3.27Å; F159-L163 HydrophobicContact CE1-CD1 4.15Å; F159-L163 HydrophobicContact CE2-CD2 4.37Å; F159-L163 HydrophobicContact CZ-CD1 4.24Å; F159-L163 HydrophobicContact CZ-CD2 4.49Å; F159-L163 PolarHBondContact O-N 3.16Å
160F95.1Very high88.4Confident3 Ų372.7 Ų72.71%0.01339%0.392CS..Hα-helixtrans-67.6-29.1-178.7-74.1-74.9000113.2M21 I23 L46 Y49 V90 V92 L156 S162 L163M21-F160 HydrophobicContact SD-CD1 3.78Å; M21-F160 HydrophobicContact SD-CE1 3.63Å; I23-F160 HydrophobicContact CD1-CE1 3.94Å; I23-F160 HydrophobicContact CD1-CZ 3.8Å; I23-F160 HydrophobicContact CG1-CE1 4.31Å; I23-F160 HydrophobicContact CG1-CZ 4.37Å; L46-F160 HydrophobicContact CD2-CE2 3.61Å; L46-F160 HydrophobicContact CD2-CZ 3.72Å; Y49-F160 HydrophobicContact CD1-CB 3.34Å; Y49-F160 HydrophobicContact CD1-CD1 4.12Å; Y49-F160 AromaticContact CD1-CD2 3.51Å; Y49-F160 HydrophobicContact CD1-CD2 3.51Å; Y49-F160 HydrophobicContact CD1-CE2 4.35Å; Y49-F160 AromaticContact CD1-CG 3.39Å; Y49-F160 HydrophobicContact CD1-CG 3.39Å; Y49-F160 AromaticContact CD2-CD2 3.58Å; Y49-F160 HydrophobicContact CD2-CD2 3.58Å; Y49-F160 AromaticContact CD2-CE2 3.67Å; Y49-F160 HydrophobicContact CD2-CE2 3.67Å; Y49-F160 HydrophobicContact CD2-CG 4.22Å; Y49-F160 HydrophobicContact CD2-CZ 4.35Å; Y49-F160 HydrophobicContact CE1-CB 3.62Å; Y49-F160 AromaticContact CE1-CD2 3.72Å; Y49-F160 HydrophobicContact CE1-CD2 3.72Å; Y49-F160 AromaticContact CE1-CG 3.9Å; Y49-F160 HydrophobicContact CE1-CG 3.9Å; Y49-F160 AromaticContact CE2-CD2 3.8Å; Y49-F160 HydrophobicContact CE2-CD2 3.8Å; Y49-F160 HydrophobicContact CE2-CE2 4.09Å; Y49-F160 HydrophobicContact CG-CB 4.06Å; Y49-F160 HydrophobicContact CG-CD1 4Å; Y49-F160 AromaticContact CG-CD2 3.41Å; Y49-F160 HydrophobicContact CG-CD2 3.41Å; Y49-F160 VanDerWaalsContact CG-CD2 3.41Å; Y49-F160 HydrophobicContact CG-CE1 4.33Å; Y49-F160 AromaticContact CG-CE2 3.8Å; Y49-F160 HydrophobicContact CG-CE2 3.8Å; Y49-F160 AromaticContact CG-CG 3.55Å; Y49-F160 HydrophobicContact CG-CG 3.55Å; Y49-F160 HydrophobicContact CG-CZ 4.25Å; Y49-F160 AromaticContact CZ-CD2 3.85Å; V90-F160 HydrophobicContact CG1-CE1 4.22Å; V92-F160 HydrophobicContact CG2-CZ 4.16Å; L156-F160 HydrophobicContact CB-CD2 4.36Å; L156-F160 HydrophobicContact CB-CE2 4.48Å; L156-F160 HydrophobicContact CD2-CE2 4.27Å; L156-F160 VanDerWaalsContact O-CD2 3.23Å; L156-F160 WeakPolarHBondContact O-CD2 3.32Å; L156-F160 PolarHBondContact O-N 3.3Å; F160-S162 VanDerWaalsContact C-N 3.33Å; F160-L163 HydrophobicContact CD1-CD1 3.95Å; F160-L163 HydrophobicContact CE1-CD1 4.39Å; F160-L163 PolarHBondContact O-N 3.25Å
161S92.6Very high87.8Confident65 Ų6567.1 Ų67.146%0.45537%0.369SS..Hα-helixtrans-65.6-37.2171.3-62.60000111.9D157 F159 L163 Q164D157-S161 WeakPolarHBondContact O-CB 3.23Å; D157-S161 PolarHBondContact O-N 2.76Å; D157-S161 PolarHBondContact O-OG 3.16Å; F159-S161 VanDerWaalsContact C-N 3.31Å; F159-S161 PolarHBondContact O-N 2.76Å; S161-L163 PolarHBondContact O-N 3.21Å; S161-Q164 PolarHBondContact O-N 3.19Å; S161-Q164 VanDerWaalsContact O-N 3.17Å
162S90.6Very high87.1Confident53 Ų5365.1 Ų65.137%0.37136%0.363SS..Hα-helixtrans-67.2-24.317879.10000113.6R158 F159 F160 Q164 S165R158-S162 PolarHBondContact O-N 3.21Å; R158-S162 VanDerWaalsContact O-N 3.09Å; F159-S162 WeakPolarHBondContact O-CB 3.37Å; F159-S162 PolarHBondContact O-N 3.17Å; F159-S162 PolarHBondContact O-OG 3.27Å; F160-S162 VanDerWaalsContact C-N 3.33Å; S162-Q164 VanDerWaalsContact C-N 3.29Å; S162-S165 PolarHBondContact O-OG 3.14Å
163L87.4Confident86.4Confident36 Ų3669.4 Ų69.419%0.18839%0.388CS..Hα-helixtrans-74.1-21.1176.1-57.8-176000112.7M21 V90 K116 F159 F160 S161M21-L163 HydrophobicContact CE-CD1 4.5Å; V90-L163 HydrophobicContact CG1-CD1 4.36Å; V90-L163 HydrophobicContact CG2-CD1 3.57Å; K116-L163 HydrophobicContact CB-CD2 4.03Å; K116-L163 HydrophobicContact CD-CD2 4.14Å; K116-L163 HydrophobicContact CG-CD2 3.75Å; F159-L163 HydrophobicContact CE1-CD1 4.15Å; F159-L163 HydrophobicContact CE2-CD2 4.37Å; F159-L163 HydrophobicContact CZ-CD1 4.24Å; F159-L163 HydrophobicContact CZ-CD2 4.49Å; F159-L163 PolarHBondContact O-N 3.16Å; F160-L163 HydrophobicContact CD1-CD1 3.95Å; F160-L163 HydrophobicContact CE1-CD1 4.39Å; F160-L163 PolarHBondContact O-N 3.25Å; S161-L163 PolarHBondContact O-N 3.21Å
164Q67.3Low85.5Confident80 Ų8067.2 Ų67.237%0.37438%0.382SS..THydrogen-bonded Turntrans-86.9-13.1-178.6-63.1174.816.600113.2S161 S162 V166S161-Q164 PolarHBondContact O-N 3.19Å; S161-Q164 VanDerWaalsContact O-N 3.17Å; S162-Q164 VanDerWaalsContact C-N 3.29Å; Q164-V166 VanDerWaalsContact C-N 3.33Å
165S54.7Low84.5Confident99 Ų9967.4 Ų67.469%0.69237%0.369SS*.THydrogen-bonded Turntrans-92.716-178.542.40000114S162S162-S165 PolarHBondContact O-OG 3.14Å
166V40.5Very low83.2Confident178 Ų17871.5 Ų71.5100%1.07939%0.391SS*.  trans-114.90178.6-172.10000110.2Q164Q164-V166 VanDerWaalsContact C-N 3.33Å

Retrieved 166 of 166 residues in 305.2 ms (Link to these results)

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