A0A060Y2J6_ONCMY Loading...

ADP ribosylation factor like GTPase 8A

AlphaFold DB , UniProt , Accession A0A060Y2J6, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene ARL8A, Length 188 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
1M54.3Low69.3Low208 Ų208118.6 Ų118.6100%1.02559%0.594SS**  0-48.10-82-157.4-79.700113.4A3 L4 F5M1-A3 PolarHBondContact O-N 3.2Å; M1-L4 PolarHBondContact O-N 2.9Å; M1-F5 PolarHBondContact O-N 3.39Å; M1-F5 VanDerWaalsContact O-N 3.08Å
2I64.8Low69.1Low134 Ų134116.2 Ų116.269%0.68758%0.577SS**Hα-helixtrans-60.1-42.4-177.4-61.3166000113.1L4 F5 N6I2-L4 VanDerWaalsContact C-N 3.32Å; I2-L4 PolarHBondContact O-N 3.3Å; I2-F5 PolarHBondContact O-N 3.08Å; I2-N6 WeakPolarHBondContact O-CB 3.5Å; I2-N6 PolarHBondContact O-N 3.4Å
3A64.6Low68.7Low71 Ų71115.1 Ų115.159%0.58757%0.567SS**Hα-helixtrans-65.9-32178.200000113.8M1 K7M1-A3 PolarHBondContact O-N 3.2Å; A3-K7 WeakPolarHBondContact O-CG 3.43Å; A3-K7 PolarHBondContact O-N 3.28Å; A3-K7 VanDerWaalsContact O-N 3.11Å
4L72.1Confident68.4Low137 Ų137114 Ų11472%0.71756%0.56SS**Hα-helixtrans-73.8-39.2177-157.480.1000110.4M1 I2 K7 L8M1-L4 PolarHBondContact O-N 2.9Å; I2-L4 VanDerWaalsContact C-N 3.32Å; I2-L4 PolarHBondContact O-N 3.3Å; L4-K7 PolarHBondContact O-N 3.41Å; L4-L8 WeakPolarHBondContact O-CB 3.4Å; L4-L8 PolarHBondContact O-N 2.95Å
5F75.3Confident67.7Low131 Ų131112.8 Ų112.858%0.57556%0.556SS**Hα-helixtrans-66.8-40.7176.2-159.8-102.4000112.1M1 I2 L8 L9M1-F5 PolarHBondContact O-N 3.39Å; M1-F5 VanDerWaalsContact O-N 3.08Å; I2-F5 PolarHBondContact O-N 3.08Å; F5-L8 PolarHBondContact O-N 3.27Å; F5-L9 HydrophobicContact CD1-CD1 3.57Å; F5-L9 HydrophobicContact CE1-CD1 3.42Å; F5-L9 VanDerWaalsContact CE1-CD1 3.42Å; F5-L9 HydrophobicContact CE1-CG 4.46Å; F5-L9 HydrophobicContact CZ-CD1 4.37Å; F5-L9 WeakPolarHBondContact O-CB 3.31Å; F5-L9 PolarHBondContact O-N 2.85Å
6N75.1Confident67Low82 Ų82115.3 Ų115.344%0.43956%0.563SS.*Hα-helixtrans-64.5-43.2174.2-72.1-13.3000111.9I2 L8 L9 D10I2-N6 WeakPolarHBondContact O-CB 3.5Å; I2-N6 PolarHBondContact O-N 3.4Å; N6-L8 VanDerWaalsContact C-N 3.31Å; N6-L8 PolarHBondContact O-N 3.11Å; N6-L9 PolarHBondContact O-N 3.44Å; N6-D10 WeakPolarHBondContact O-CB 3.4Å; N6-D10 VanDerWaalsContact O-CG 3.26Å; N6-D10 PolarHBondContact O-N 2.83Å
7K70.3Confident66.8Low159 Ų159117.8 Ų117.869%0.69157%0.565SS**Hα-helixtrans-61-39.2173-78.9-176.1177-174.50112.6A3 L4 W11A3-K7 WeakPolarHBondContact O-CG 3.43Å; A3-K7 PolarHBondContact O-N 3.28Å; A3-K7 VanDerWaalsContact O-N 3.11Å; L4-K7 PolarHBondContact O-N 3.41Å; K7-W11 VanDerWaalsContact O-CB 3.31Å; K7-W11 WeakPolarHBondContact O-CB 3.25Å; K7-W11 PolarHBondContact O-N 3.37Å
8L75.4Confident66.9Low90 Ų90119.8 Ų119.847%0.47157%0.571SS.*Hα-helixtrans-67-42.7176.9-159.684.7000111.2L4 F5 N6 W11 F12L4-L8 WeakPolarHBondContact O-CB 3.4Å; L4-L8 PolarHBondContact O-N 2.95Å; F5-L8 PolarHBondContact O-N 3.27Å; N6-L8 VanDerWaalsContact C-N 3.31Å; N6-L8 PolarHBondContact O-N 3.11Å; L8-W11 WeakPolarHBondContact O-CB 3.24Å; L8-W11 PolarHBondContact O-N 3.36Å; L8-F12 HydrophobicContact CD2-CD2 4.42Å; L8-F12 HydrophobicContact CD2-CE2 4.07Å; L8-F12 HydrophobicContact CG-CD2 4.08Å; L8-F12 HydrophobicContact CG-CE2 4.01Å; L8-F12 VanDerWaalsContact O-CD2 3.24Å; L8-F12 WeakPolarHBondContact O-CD2 3.39Å; L8-F12 PolarHBondContact O-N 3.27Å
9L75.1Confident67.6Low72 Ų72115 Ų11538%0.37755%0.548SS..Hα-helixtrans-64.4-41.6175.3-102.9153.7000112.4F5 N6 W11 F12 K13F5-L9 HydrophobicContact CD1-CD1 3.57Å; F5-L9 HydrophobicContact CE1-CD1 3.42Å; F5-L9 VanDerWaalsContact CE1-CD1 3.42Å; F5-L9 HydrophobicContact CE1-CG 4.46Å; F5-L9 HydrophobicContact CZ-CD1 4.37Å; F5-L9 WeakPolarHBondContact O-CB 3.31Å; F5-L9 PolarHBondContact O-N 2.85Å; N6-L9 PolarHBondContact O-N 3.44Å; L9-W11 VanDerWaalsContact C-N 3.33Å; L9-F12 PolarHBondContact O-N 3.46Å; L9-K13 WeakPolarHBondContact O-CB 3.49Å; L9-K13 VanDerWaalsContact O-CG 3.25Å; L9-K13 WeakPolarHBondContact O-CG 3.33Å; L9-K13 PolarHBondContact O-N 2.97Å
10D67.7Low68.2Low84 Ų84114.7 Ų114.745%0.44955%0.546SS..Hα-helixtrans-66.8-37.7176-71.1-23.4000111.2N6 K13 Q14N6-D10 WeakPolarHBondContact O-CB 3.4Å; N6-D10 VanDerWaalsContact O-CG 3.26Å; N6-D10 PolarHBondContact O-N 2.83Å; D10-K13 PolarHBondContact O-N 3.12Å; D10-Q14 WeakPolarHBondContact O-CB 3.24Å; D10-Q14 VanDerWaalsContact O-CG 3.27Å; D10-Q14 WeakPolarHBondContact O-CG 3.38Å; D10-Q14 PolarHBondContact O-N 2.89Å
11W67.9Low69.2Low137 Ų137109.3 Ų109.352%0.51952%0.52SS..Hα-helixtrans-63.5-46.4172178.580.8000111.9K7 L8 L9 K13 Q14 L15K7-W11 VanDerWaalsContact O-CB 3.31Å; K7-W11 WeakPolarHBondContact O-CB 3.25Å; K7-W11 PolarHBondContact O-N 3.37Å; L8-W11 WeakPolarHBondContact O-CB 3.24Å; L8-W11 PolarHBondContact O-N 3.36Å; L9-W11 VanDerWaalsContact C-N 3.33Å; W11-K13 VanDerWaalsContact C-N 3.34Å; W11-K13 PolarHBondContact O-N 2.87Å; W11-Q14 PolarHBondContact O-N 2.77Å; W11-L15 HydrophobicContact CH2-CD1 4.48Å; W11-L15 HydrophobicContact CH2-CD2 4.3Å; W11-L15 HydrophobicContact CZ2-CD1 4.03Å; W11-L15 PolarHBondContact O-N 2.94Å
12F66.4Low70.9Confident89 Ų89102.8 Ų102.839%0.3949%0.487SS..Hα-helixtrans-62.6-40174.1-90-67.9000112.1L8 L9 Q14 L15 F16L8-F12 HydrophobicContact CD2-CD2 4.42Å; L8-F12 HydrophobicContact CD2-CE2 4.07Å; L8-F12 HydrophobicContact CG-CD2 4.08Å; L8-F12 HydrophobicContact CG-CE2 4.01Å; L8-F12 VanDerWaalsContact O-CD2 3.24Å; L8-F12 WeakPolarHBondContact O-CD2 3.39Å; L8-F12 PolarHBondContact O-N 3.27Å; L9-F12 PolarHBondContact O-N 3.46Å; F12-Q14 VanDerWaalsContact C-N 3.34Å; F12-Q14 PolarHBondContact O-N 3.4Å; F12-L15 WeakPolarHBondContact O-CB 3.27Å; F12-L15 PolarHBondContact O-N 3.02Å; F12-L15 VanDerWaalsContact O-N 3.12Å; F12-F16 HydrophobicContact CD1-CD2 4.27Å; F12-F16 AromaticContact CD1-CE2 3.75Å; F12-F16 HydrophobicContact CD1-CE2 3.75Å; F12-F16 HydrophobicContact CE1-CE2 4.34Å; F12-F16 VanDerWaalsContact O-CD2 3.24Å; F12-F16 WeakPolarHBondContact O-CD2 3.46Å; F12-F16 PolarHBondContact O-N 3.46Å
13K64.5Low72.2Confident102 Ų10296.5 Ų96.544%0.44346%0.455SS..Hα-helixtrans-63.1-41.4175.6-78.5173.4-179.3177.60111.7L9 D10 W11 L15 F16 W17L9-K13 WeakPolarHBondContact O-CB 3.49Å; L9-K13 VanDerWaalsContact O-CG 3.25Å; L9-K13 WeakPolarHBondContact O-CG 3.33Å; L9-K13 PolarHBondContact O-N 2.97Å; D10-K13 PolarHBondContact O-N 3.12Å; W11-K13 VanDerWaalsContact C-N 3.34Å; W11-K13 PolarHBondContact O-N 2.87Å; K13-L15 VanDerWaalsContact C-N 3.29Å; K13-L15 PolarHBondContact O-N 3.43Å; K13-F16 PolarHBondContact O-N 3.49Å; K13-W17 VanDerWaalsContact CA-CE3 3.46Å; K13-W17 HydrophobicContact CB-CE3 3.93Å; K13-W17 HydrophobicContact CB-CZ3 4.06Å; K13-W17 HydrophobicContact CG-CE3 3.95Å; K13-W17 HydrophobicContact CG-CH2 4.26Å; K13-W17 HydrophobicContact CG-CZ3 3.6Å; K13-W17 WeakPolarHBondContact O-CB 3.39Å; K13-W17 VanDerWaalsContact O-CE3 3.28Å; K13-W17 PolarHBondContact O-N 2.87Å
14Q63.8Low73.7Confident100 Ų10093.1 Ų93.147%0.46743%0.427SS..Hα-helixtrans-62.9-39172.8-73.317321.300111.1D10 W11 F12 F16 N64D10-Q14 WeakPolarHBondContact O-CB 3.24Å; D10-Q14 VanDerWaalsContact O-CG 3.27Å; D10-Q14 WeakPolarHBondContact O-CG 3.38Å; D10-Q14 PolarHBondContact O-N 2.89Å; W11-Q14 PolarHBondContact O-N 2.77Å; F12-Q14 VanDerWaalsContact C-N 3.34Å; F12-Q14 PolarHBondContact O-N 3.4Å; Q14-F16 VanDerWaalsContact C-N 3.34Å; Q14-F16 PolarHBondContact O-N 3.39Å; Q14-N64 PolarHBondContact O-ND2 3.49Å
15L58.2Low74.9Confident96 Ų9686.6 Ų86.650%0.50339%0.393SS..Hα-helixtrans-64.8-35179.2-140.883.1000113.4W11 F12 K13W11-L15 HydrophobicContact CH2-CD1 4.48Å; W11-L15 HydrophobicContact CH2-CD2 4.3Å; W11-L15 HydrophobicContact CZ2-CD1 4.03Å; W11-L15 PolarHBondContact O-N 2.94Å; F12-L15 WeakPolarHBondContact O-CB 3.27Å; F12-L15 PolarHBondContact O-N 3.02Å; F12-L15 VanDerWaalsContact O-N 3.12Å; K13-L15 VanDerWaalsContact C-N 3.29Å; K13-L15 PolarHBondContact O-N 3.43Å
16F56.3Low75.9Confident152 Ų15280.4 Ų80.467%0.66737%0.366SS*.Hα-helixtrans-100.8-28.2-173.7-75-69.1000114.9F12 K13 Q14F12-F16 HydrophobicContact CD1-CD2 4.27Å; F12-F16 AromaticContact CD1-CE2 3.75Å; F12-F16 HydrophobicContact CD1-CE2 3.75Å; F12-F16 HydrophobicContact CE1-CE2 4.34Å; F12-F16 VanDerWaalsContact O-CD2 3.24Å; F12-F16 WeakPolarHBondContact O-CD2 3.46Å; F12-F16 PolarHBondContact O-N 3.46Å; K13-F16 PolarHBondContact O-N 3.49Å; Q14-F16 VanDerWaalsContact C-N 3.34Å; Q14-F16 PolarHBondContact O-N 3.39Å
17W64.1Low77Confident159 Ų15976.5 Ų76.560%0.60235%0.345SS*.  trans-100.3111.7-177.4-78.2-94.6000111.7K13K13-W17 VanDerWaalsContact CA-CE3 3.46Å; K13-W17 HydrophobicContact CB-CE3 3.93Å; K13-W17 HydrophobicContact CB-CZ3 4.06Å; K13-W17 HydrophobicContact CG-CE3 3.95Å; K13-W17 HydrophobicContact CG-CH2 4.26Å; K13-W17 HydrophobicContact CG-CZ3 3.6Å; K13-W17 WeakPolarHBondContact O-CB 3.39Å; K13-W17 VanDerWaalsContact O-CE3 3.28Å; K13-W17 PolarHBondContact O-N 2.87Å
18K68Low78.3Confident153 Ų15369.5 Ų69.567%0.66532%0.315SS*.PPolyproline II helixtrans-78.1127.9166-66.6-179.7-179.8177.40109.3N64K18-N64 CarbonylContact C-O 3.55Å; K18-N64 WeakPolarHBondContact CA-O 3.37Å
19E79.8Confident79.1Confident29 Ų2968.1 Ų68.114%0.13631%0.306CS..EExtended strand (participates in β ladder)trans-89131.2170.6-54.7-152.9133.100109.3N64 V65 T66 S181 R182 K185E19-N64 PolarHBondContact N-O 3.5Å; E19-V65 HydrophobicContact CB-CG2 4.35Å; E19-V65 CarbonylContact O-C 3.6Å; E19-V65 WeakPolarHBondContact O-CA 3.45Å; E19-T66 PolarHBondContact O-N 2.96Å; E19-S181 PolarHBondContact OE2-OG 3.24Å; E19-R182 WeakPolarHBondContact OE2-CG 3.46Å; E19-K185 IonicContact OE1-NZ 2.69Å; E19-K185 PolarHBondContact OE1-NZ 3.37Å
20E81.3Confident80Confident108 Ų10870.9 Ų70.951%0.50531%0.313SS..EExtended strand (participates in β ladder)trans-102129.4167.9-62.1-152.6149.800108.7K59 T66 K68E20-K59 IonicContact OE1-NZ 2.82Å; E20-T66 WeakPolarHBondContact CA-O 3.07Å; E20-T66 HydrophobicContact CG-CG2 4.42Å; E20-K68 WeakPolarHBondContact OE2-CE 3.35Å; E20-K68 IonicContact OE2-NZ 3.76Å; E20-K68 PolarHBondContact OE2-NZ 3.14Å
21M87.6Confident81.3Confident3 Ų367 Ų672%0.01529%0.292CS..EExtended strand (participates in β ladder)trans-122.5143.4171.3114.4-178.4-71.500108.8L23 T66 I67 K68 V91 L177 H180M21-L23 HydrophobicContact CE-CD2 3.46Å; M21-L23 VanDerWaalsContact CE-CD2 3.46Å; M21-L23 HydrophobicContact CE-CG 4.36Å; M21-L23 HydrophobicContact CG-CD1 4.37Å; M21-L23 HydrophobicContact CG-CD2 3.86Å; M21-L23 HydrophobicContact CG-CG 3.78Å; M21-L23 HydrophobicContact SD-CD1 4.05Å; M21-L23 HydrophobicContact SD-CD2 3.65Å; M21-L23 HydrophobicContact SD-CG 3.93Å; M21-T66 PolarHBondContact N-O 2.9Å; M21-I67 HydrophobicContact CG-CG1 4.14Å; M21-I67 HydrophobicContact CG-CG2 4.41Å; M21-I67 CarbonylContact O-C 3.45Å; M21-I67 WeakPolarHBondContact O-CA 3.36Å; M21-I67 HydrophobicContact SD-CD1 4.42Å; M21-I67 HydrophobicContact SD-CG1 4.1Å; M21-K68 PolarHBondContact O-N 3.25Å; M21-V91 HydrophobicContact CE-CG2 4.14Å; M21-L177 WeakPolarHBondContact CE-O 3.15Å; M21-L177 HydrophobicContact SD-CB 4.37Å; M21-H180 HydrophobicContact CE-CB 4.3Å
22E90.6Very high82.6Confident71 Ų7160.9 Ų60.933%0.33227%0.272SS..EExtended strand (participates in β ladder)trans-113133.8173.8-168162.917700109.1K68 W70 V89 S90E22-K68 CarbonylContact C-O 3.58Å; E22-K68 WeakPolarHBondContact CA-O 3.26Å; E22-K68 HydrophobicContact CG-CB 4.21Å; E22-W70 PolarHBondContact OE1-NE1 3.47Å; E22-V89 HydrophobicContact CG-CG1 4.13Å; E22-S90 WeakPolarHBondContact O-CB 3.28Å; E22-S90 PolarHBondContact O-N 3.26Å; E22-S90 PolarHBondContact O-OG 3.46Å
23L93.3Very high83.9Confident2 Ų257.2 Ų57.21%0.0126%0.256CS..EExtended strand (participates in β ladder)trans-132.1148.9-174.8-59.1-179.3000109.3M21 I67 K68 L69 W70 V91 L177M21-L23 HydrophobicContact CE-CD2 3.46Å; M21-L23 VanDerWaalsContact CE-CD2 3.46Å; M21-L23 HydrophobicContact CE-CG 4.36Å; M21-L23 HydrophobicContact CG-CD1 4.37Å; M21-L23 HydrophobicContact CG-CD2 3.86Å; M21-L23 HydrophobicContact CG-CG 3.78Å; M21-L23 HydrophobicContact SD-CD1 4.05Å; M21-L23 HydrophobicContact SD-CD2 3.65Å; M21-L23 HydrophobicContact SD-CG 3.93Å; L23-I67 HydrophobicContact CB-CG2 4.48Å; L23-I67 HydrophobicContact CD1-CG2 3.26Å; L23-I67 HydrophobicContact CG-CG2 3.8Å; L23-K68 PolarHBondContact N-O 3.32Å; L23-L69 HydrophobicContact CB-CD1 3.54Å; L23-L69 HydrophobicContact CD1-CD1 4.14Å; L23-L69 HydrophobicContact CG-CD1 4.49Å; L23-L69 WeakPolarHBondContact O-CA 3.49Å; L23-W70 PolarHBondContact O-N 3.49Å; L23-V91 HydrophobicContact CD2-CB 3.61Å; L23-V91 HydrophobicContact CD2-CG1 4.35Å; L23-V91 HydrophobicContact CD2-CG2 4.3Å; L23-L177 HydrophobicContact CD1-CD1 4.01Å; L23-L177 HydrophobicContact CD1-CD2 4.05Å; L23-L177 HydrophobicContact CD1-CG 4.49Å; L23-L177 HydrophobicContact CD2-CD2 4.01Å
24T95.4Very high85.2Confident0 Ų054 Ų540%024%0.244CC..EExtended strand (participates in β ladder)trans-116.7135.8167.3-43.30000109.3V26 W70 I72 Y85 V89 V91 V93T24-V26 HydrophobicContact CG2-CG1 3.7Å; T24-W70 HydrophobicContact CG2-CB 4.11Å; T24-I72 HydrophobicContact CG2-CG1 3.81Å; T24-Y85 PolarHBondContact OG1-O 2.83Å; T24-V89 WeakPolarHBondContact OG1-CG1 3.33Å; T24-V91 PolarHBondContact N-O 2.9Å; T24-V93 PolarHBondContact O-N 3.29Å
25L96.7Very high86.5Confident0 Ų050 Ų500%023%0.227CC..EExtended strand (participates in β ladder)trans-109.3111.4173-178.659.9000109.2K33 F36 V37 L69 W70 I72 V93 M95L25-K33 HydrophobicContact CD1-CG 4.11Å; L25-K33 HydrophobicContact CD2-CB 3.63Å; L25-K33 HydrophobicContact CD2-CG 4.11Å; L25-K33 VanDerWaalsContact CD2-O 3.27Å; L25-K33 WeakPolarHBondContact CD2-O 3.37Å; L25-K33 HydrophobicContact CG-CB 3.8Å; L25-K33 HydrophobicContact CG-CD 4.01Å; L25-K33 HydrophobicContact CG-CG 3.73Å; L25-F36 HydrophobicContact CD2-CD1 3.93Å; L25-V37 HydrophobicContact CD2-CG2 3.54Å; L25-L69 HydrophobicContact CB-CD1 3.9Å; L25-L69 HydrophobicContact CB-CG 4.34Å; L25-L69 HydrophobicContact CD2-CD2 4.36Å; L25-W70 PolarHBondContact N-O 2.72Å; L25-I72 PolarHBondContact O-N 3.44Å; L25-I72 VanDerWaalsContact O-N 3.15Å; L25-V93 WeakPolarHBondContact CA-O 3.29Å; L25-V93 HydrophobicContact CD1-CB 3.89Å; L25-V93 HydrophobicContact CD1-CG1 3.6Å; L25-M95 HydrophobicContact CD1-CB 4.04Å; L25-M95 HydrophobicContact CD1-CE 3.96Å
26V97.3Very high88.2Confident0 Ų045.5 Ų45.50%020%0.203CC..EExtended strand (participates in β ladder)trans-129.1169.3-177.8-63.30000110.8T24 I72 W82 I92 V93 Y94 M95 L114T24-V26 HydrophobicContact CG2-CG1 3.7Å; V26-I72 HydrophobicContact CG1-CB 4.19Å; V26-I72 HydrophobicContact CG1-CG1 4.12Å; V26-W82 HydrophobicContact CB-CD2 4.04Å; V26-W82 HydrophobicContact CB-CE3 4.26Å; V26-W82 HydrophobicContact CB-CG 4.32Å; V26-W82 HydrophobicContact CG1-CB 4.22Å; V26-W82 HydrophobicContact CG1-CD2 4.2Å; V26-W82 HydrophobicContact CG1-CG 3.95Å; V26-I92 HydrophobicContact CG2-CG2 3.95Å; V26-V93 PolarHBondContact N-O 3.47Å; V26-Y94 HydrophobicContact CG2-CD2 3.75Å; V26-Y94 HydrophobicContact CG2-CE2 4.37Å; V26-Y94 WeakPolarHBondContact O-CA 3.38Å; V26-M95 PolarHBondContact O-N 3Å; V26-L114 HydrophobicContact CG2-CD2 3.88Å
27G97.6Very high89.8Confident0 Ų038.3 Ų38.30%017%0.172CC..  trans137.5169.3-175.300000111.5K33 G74 W82G27-K33 PolarHBondContact O-NZ 3.21Å; G27-G74 VanDerWaalsContact O-CA 3.24Å; G27-G74 WeakPolarHBondContact O-CA 3.48Å; G27-W82 WeakPolarHBondContact O-CZ2 3.34Å
28L96.6Very high91Very high12 Ų1232 Ų326%0.06315%0.15CC..SBendtrans-60.4157.7-175.1-58.6-166.7000112.9S31 K33 W82 K103 A106 E110L28-S31 WeakPolarHBondContact O-CB 3.42Å; L28-S31 PolarHBondContact O-N 3.15Å; L28-S31 PolarHBondContact O-OG 3.3Å; L28-K33 PolarHBondContact O-NZ 2.95Å; L28-W82 HydrophobicContact CD2-CH2 4.44Å; L28-K103 HydrophobicContact CD1-CB 4.1Å; L28-A106 HydrophobicContact CD1-CB 4.19Å; L28-E110 HydrophobicContact CD2-CB 4.48Å; L28-E110 HydrophobicContact CD2-CG 4.11Å
29Q93.6Very high92Very high62 Ų6225.2 Ų25.229%0.2912%0.121SC..THydrogen-bonded Turntrans-57.4148.3172.959.7174.815.200111.1S31 G74Q29-S31 PolarHBondContact O-N 3.38Å; Q29-G74 PolarHBondContact N-O 3.48Å
30Y93.4Very high92.3Very high130 Ų13024.8 Ų24.851%0.5112%0.12SC..THydrogen-bonded Turntrans66.65.8-178.5-48.2-70.9000117G32 P51 K131Y30-G32 PolarHBondContact O-N 2.97Å; Y30-P51 HydrophobicContact CD1-CG 4.08Å; Y30-P51 HydrophobicContact CE1-CG 3.27Å; Y30-K131 WeakPolarHBondContact O-CE 3.42Å; Y30-K131 PolarHBondContact O-NZ 2.84Å
31S96Very high92.2Very high2 Ų221.9 Ų21.91%0.01411%0.114CC..SBendtrans-70.2-9.1174.666.60000115L28 Q29 K33 M95 N130L28-S31 WeakPolarHBondContact O-CB 3.42Å; L28-S31 PolarHBondContact O-N 3.15Å; L28-S31 PolarHBondContact O-OG 3.3Å; Q29-S31 PolarHBondContact O-N 3.38Å; S31-K33 PolarHBondContact OG-NZ 3.47Å; S31-M95 VanDerWaalsContact CB-O 3.27Å; S31-M95 WeakPolarHBondContact CB-O 3.49Å; S31-M95 VanDerWaalsContact O-CG 3.31Å; S31-M95 WeakPolarHBondContact O-CG 3.38Å; S31-M95 WeakPolarHBondContact OG-CG 3.22Å; S31-M95 PolarHBondContact OG-O 2.77Å; S31-M95 VanDerWaalsContact OG-O 3.04Å; S31-N130 PolarHBondContact O-ND2 3.37Å
32G94.5Very high91.5Very high9 Ų925.1 Ų25.19%0.09314%0.137CC..SBendtrans9423.217700000115.2Y30 T35 F36Y30-G32 PolarHBondContact O-N 2.97Å; G32-T35 WeakPolarHBondContact CA-OG1 3.43Å; G32-T35 WeakPolarHBondContact O-CB 3.15Å; G32-T35 PolarHBondContact O-N 3.37Å; G32-T35 PolarHBondContact O-OG1 2.79Å; G32-F36 WeakPolarHBondContact O-CB 3.45Å; G32-F36 PolarHBondContact O-N 3.07Å
33K94.3Very high90.2Very high12 Ų1223.3 Ų23.35%0.05214%0.137CC..Hα-helixtrans-55.5-54.6176.6-67.3-176-64.8-66.30113.3L25 G27 L28 S31 T35 F36 V37 D71 I72 M95L25-K33 HydrophobicContact CD1-CG 4.11Å; L25-K33 HydrophobicContact CD2-CB 3.63Å; L25-K33 HydrophobicContact CD2-CG 4.11Å; L25-K33 VanDerWaalsContact CD2-O 3.27Å; L25-K33 WeakPolarHBondContact CD2-O 3.37Å; L25-K33 HydrophobicContact CG-CB 3.8Å; L25-K33 HydrophobicContact CG-CD 4.01Å; L25-K33 HydrophobicContact CG-CG 3.73Å; G27-K33 PolarHBondContact O-NZ 3.21Å; L28-K33 PolarHBondContact O-NZ 2.95Å; S31-K33 PolarHBondContact OG-NZ 3.47Å; K33-T35 VanDerWaalsContact C-N 3.27Å; K33-T35 PolarHBondContact O-N 3.43Å; K33-F36 WeakPolarHBondContact O-CB 3.42Å; K33-F36 PolarHBondContact O-N 2.96Å; K33-F36 VanDerWaalsContact O-N 3.13Å; K33-V37 VanDerWaalsContact O-CG2 3.26Å; K33-V37 WeakPolarHBondContact O-CG2 3.21Å; K33-V37 PolarHBondContact O-N 3.22Å; K33-D71 WeakPolarHBondContact CB-OD1 3.36Å; K33-I72 WeakPolarHBondContact CE-O 3.33Å; K33-M95 HydrophobicContact CD-CB 4.48Å; K33-M95 HydrophobicContact CG-CB 3.66Å; K33-M95 HydrophobicContact CG-CG 4.02Å
34T90.5Very high88.5Confident33 Ų3329.9 Ų29.920%0.20217%0.168CC..Hα-helixtrans-64.3-34.5179.2-44.50000111.7V37 N38 M49 T52 D71T34-V37 PolarHBondContact O-N 2.79Å; T34-N38 PolarHBondContact O-N 3.27Å; T34-N38 PolarHBondContact O-ND2 3.46Å; T34-M49 HydrophobicContact CG2-SD 3.96Å; T34-T52 PolarHBondContact OG1-OG1 3.28Å; T34-D71 PolarHBondContact OG1-OD2 3.38Å
35T92.3Very high86.4Confident17 Ų1733.6 Ų33.610%0.10418%0.184CC..Hα-helixtrans-56.4-52.9170.3-39.90000111.3G32 K33 V37 N38 V39 F45 M49 C164G32-T35 WeakPolarHBondContact CA-OG1 3.43Å; G32-T35 WeakPolarHBondContact O-CB 3.15Å; G32-T35 PolarHBondContact O-N 3.37Å; G32-T35 PolarHBondContact O-OG1 2.79Å; K33-T35 VanDerWaalsContact C-N 3.27Å; K33-T35 PolarHBondContact O-N 3.43Å; T35-V37 VanDerWaalsContact C-N 3.31Å; T35-V37 PolarHBondContact O-N 3.12Å; T35-N38 PolarHBondContact O-N 3.19Å; T35-N38 VanDerWaalsContact O-N 3.15Å; T35-V39 HydrophobicContact CG2-CG2 4.47Å; T35-V39 WeakPolarHBondContact O-CG2 3.46Å; T35-V39 PolarHBondContact O-N 2.9Å; T35-F45 HydrophobicContact CG2-CD2 3.34Å; T35-F45 HydrophobicContact CG2-CE2 3.4Å; T35-F45 VanDerWaalsContact CG2-CE2 3.4Å; T35-M49 VanDerWaalsContact CA-CE 3.43Å; T35-M49 VanDerWaalsContact CB-CE 3.46Å; T35-M49 HydrophobicContact CG2-CE 3.72Å; T35-M49 WeakPolarHBondContact OG1-CE 3.26Å; T35-C164 HydrophobicContact CG2-CB 3.52Å
36F93.7Very high84.6Confident1 Ų136.4 Ų36.40%0.00420%0.204CC..Hα-helixtrans-57.6-47.6-179.7177.6-102.3000110.5L25 G32 K33 N38 V39 I40 M95 L128 I162 I170 T173L25-F36 HydrophobicContact CD2-CD1 3.93Å; G32-F36 WeakPolarHBondContact O-CB 3.45Å; G32-F36 PolarHBondContact O-N 3.07Å; K33-F36 WeakPolarHBondContact O-CB 3.42Å; K33-F36 PolarHBondContact O-N 2.96Å; K33-F36 VanDerWaalsContact O-N 3.13Å; F36-N38 VanDerWaalsContact C-N 3.33Å; F36-N38 PolarHBondContact O-N 3.41Å; F36-V39 PolarHBondContact O-N 2.88Å; F36-I40 HydrophobicContact CD1-CD1 4.15Å; F36-I40 HydrophobicContact CD2-CG2 4.33Å; F36-I40 HydrophobicContact CE1-CD1 3.75Å; F36-I40 HydrophobicContact CE1-CG2 4.31Å; F36-I40 HydrophobicContact CE2-CG2 3.93Å; F36-I40 HydrophobicContact CZ-CD1 4.28Å; F36-I40 HydrophobicContact CZ-CG2 3.91Å; F36-I40 WeakPolarHBondContact O-CG1 3.44Å; F36-I40 PolarHBondContact O-N 3.29Å; F36-M95 HydrophobicContact CB-CE 3.55Å; F36-M95 HydrophobicContact CD1-CE 4.07Å; F36-M95 HydrophobicContact CD2-CE 4.01Å; F36-M95 HydrophobicContact CG-CE 3.61Å; F36-L128 HydrophobicContact CD2-CD1 4.41Å; F36-L128 HydrophobicContact CE1-CD1 4.45Å; F36-L128 HydrophobicContact CE2-CD1 3.94Å; F36-L128 HydrophobicContact CZ-CD1 3.96Å; F36-I162 HydrophobicContact CD2-CD1 4.06Å; F36-I162 HydrophobicContact CE2-CD1 4.3Å; F36-I170 HydrophobicContact CD2-CD1 4.12Å; F36-I170 HydrophobicContact CE2-CD1 4.13Å; F36-T173 HydrophobicContact CE2-CG2 3.85Å; F36-T173 HydrophobicContact CZ-CG2 3.67Å
37V90.3Very high82.1Confident2 Ų243.9 Ų43.91%0.01224%0.239CC..Hα-helixtrans-56.5-44.7176.3178.80000111.9L25 K33 T34 T35 I40 A41 R58 L69 D71L25-V37 HydrophobicContact CD2-CG2 3.54Å; K33-V37 VanDerWaalsContact O-CG2 3.26Å; K33-V37 WeakPolarHBondContact O-CG2 3.21Å; K33-V37 PolarHBondContact O-N 3.22Å; T34-V37 PolarHBondContact O-N 2.79Å; T35-V37 VanDerWaalsContact C-N 3.31Å; T35-V37 PolarHBondContact O-N 3.12Å; V37-I40 WeakPolarHBondContact O-CG1 3.24Å; V37-A41 WeakPolarHBondContact O-CB 3.48Å; V37-A41 PolarHBondContact O-N 3.29Å; V37-R58 HydrophobicContact CG1-CB 3.88Å; V37-R58 HydrophobicContact CG1-CG 3.7Å; V37-L69 HydrophobicContact CB-CD2 4.26Å; V37-L69 HydrophobicContact CG1-CD2 4.29Å; V37-L69 HydrophobicContact CG2-CD2 3.44Å; V37-L69 VanDerWaalsContact CG2-CD2 3.44Å; V37-L69 HydrophobicContact CG2-CG 4.35Å; V37-D71 HydrophobicContact CG2-CB 4.11Å
38N88.1Confident79.8Confident26 Ų2651.1 Ų51.114%0.13928%0.277CS..Hα-helixtrans-63.9-46.8177.7-73.7-27000111.6T34 T35 F36 I40 A41 S42 Q44 M49 R58T34-N38 PolarHBondContact O-N 3.27Å; T34-N38 PolarHBondContact O-ND2 3.46Å; T35-N38 PolarHBondContact O-N 3.19Å; T35-N38 VanDerWaalsContact O-N 3.15Å; F36-N38 VanDerWaalsContact C-N 3.33Å; F36-N38 PolarHBondContact O-N 3.41Å; N38-I40 VanDerWaalsContact C-N 3.35Å; N38-I40 PolarHBondContact O-N 2.8Å; N38-A41 PolarHBondContact O-N 3.21Å; N38-S42 PolarHBondContact O-N 2.91Å; N38-S42 PolarHBondContact O-OG 3.14Å; N38-S42 VanDerWaalsContact O-OG 3.05Å; N38-Q44 CarbonylContact C-O 3.58Å; N38-M49 PolarHBondContact ND2-SD 2.86Å; N38-R58 PolarHBondContact OD1-NH1 2.96Å; N38-R58 PolarHBondContact OD1-NH2 3.32Å
39V89.5Confident78Confident10 Ų1053.1 Ų53.16%0.06129%0.287CS..Hα-helixtrans-60.5-44-179.3170.30000111.3T35 F36 G43 C164 K167 I170T35-V39 HydrophobicContact CG2-CG2 4.47Å; T35-V39 WeakPolarHBondContact O-CG2 3.46Å; T35-V39 PolarHBondContact O-N 2.9Å; F36-V39 PolarHBondContact O-N 2.88Å; V39-G43 WeakPolarHBondContact O-CA 3.4Å; V39-G43 PolarHBondContact O-N 2.77Å; V39-C164 HydrophobicContact CG2-CB 4.33Å; V39-C164 WeakPolarHBondContact CG2-O 3.47Å; V39-K167 HydrophobicContact CG1-CG 4.15Å; V39-I170 HydrophobicContact CG1-CG1 4.32Å; V39-I170 HydrophobicContact CG1-CG2 4.24Å
40I85.6Confident76.3Confident21 Ų2157.3 Ų57.311%0.10831%0.31CS..Hα-helixtrans-77-23.8179.667.5175.7000113.4F36 V37 N38 I60 L69 I170 L174F36-I40 HydrophobicContact CD1-CD1 4.15Å; F36-I40 HydrophobicContact CD2-CG2 4.33Å; F36-I40 HydrophobicContact CE1-CD1 3.75Å; F36-I40 HydrophobicContact CE1-CG2 4.31Å; F36-I40 HydrophobicContact CE2-CG2 3.93Å; F36-I40 HydrophobicContact CZ-CD1 4.28Å; F36-I40 HydrophobicContact CZ-CG2 3.91Å; F36-I40 WeakPolarHBondContact O-CG1 3.44Å; F36-I40 PolarHBondContact O-N 3.29Å; V37-I40 WeakPolarHBondContact O-CG1 3.24Å; N38-I40 VanDerWaalsContact C-N 3.35Å; N38-I40 PolarHBondContact O-N 2.8Å; I40-I60 HydrophobicContact CD1-CD1 3.34Å; I40-I60 HydrophobicContact CG1-CD1 3.5Å; I40-I60 VanDerWaalsContact CG1-CD1 3.5Å; I40-L69 HydrophobicContact CD1-CD2 3.85Å; I40-I170 HydrophobicContact CG2-CG2 3.94Å; I40-L174 HydrophobicContact CB-CD2 4.29Å; I40-L174 HydrophobicContact CG2-CD1 4.34Å; I40-L174 HydrophobicContact CG2-CD2 4.03Å; I40-L174 HydrophobicContact CG2-CG 4.38Å
41A80.1Confident74.5Confident47 Ų4752.9 Ų52.939%0.38830%0.297SS..Hα-helixtrans-87-44.3-177.900000113.3V37 N38 I60V37-A41 WeakPolarHBondContact O-CB 3.48Å; V37-A41 PolarHBondContact O-N 3.29Å; N38-A41 PolarHBondContact O-N 3.21Å; A41-I60 HydrophobicContact CB-CD1 4.37Å; A41-I60 HydrophobicContact CB-CG1 3.9Å
42S72.5Confident73Confident70 Ų7054.1 Ų54.149%0.4931%0.305SS..Hα-helixtrans-124.8-4.8-172.9610000113.7N38 Q44N38-S42 PolarHBondContact O-N 2.91Å; N38-S42 PolarHBondContact O-OG 3.14Å; N38-S42 VanDerWaalsContact O-OG 3.05Å; S42-Q44 PolarHBondContact O-N 3.35Å
43G63.6Low71.8Confident33 Ų3358.9 Ų58.934%0.3433%0.332SS..SBendtrans68.89.2-174.100000113.7V39 K167V39-G43 WeakPolarHBondContact O-CA 3.4Å; V39-G43 PolarHBondContact O-N 2.77Å; G43-K167 VanDerWaalsContact O-CE 3.29Å; G43-K167 WeakPolarHBondContact O-CE 3.33Å; G43-K167 PolarHBondContact O-NZ 3.3Å
44Q57.3Low71Confident140 Ų14058.9 Ų58.965%0.65434%0.335SS*.  trans-108.2138.5-177.1-67.5-178.1-12.400111.3N38 S42N38-Q44 CarbonylContact C-O 3.58Å; S42-Q44 PolarHBondContact O-N 3.35Å
45F50.7Low70.4Confident79 Ų7962 Ų6235%0.34635%0.346SS..  trans-101.3146.8169.2174.1-104.5000109T35 E47 K165T35-F45 HydrophobicContact CG2-CD2 3.34Å; T35-F45 HydrophobicContact CG2-CE2 3.4Å; T35-F45 VanDerWaalsContact CG2-CE2 3.4Å; F45-E47 HydrophobicContact CD1-CG 4.19Å; F45-E47 HydrophobicContact CE1-CB 4.34Å; F45-E47 HydrophobicContact CE1-CG 3.4Å; F45-E47 HydrophobicContact CZ-CG 4.16Å; F45-K165 HydrophobicContact CE1-CG 4.23Å; F45-K165 HydrophobicContact CE2-CB 4.41Å; F45-K165 HydrophobicContact CZ-CB 4.46Å; F45-K165 HydrophobicContact CZ-CG 4.31Å
46S58.6Low69.9Low58 Ų5864.7 Ų64.741%0.40636%0.36SS..  trans-130.1124.2174.6-1740000108M49S46-M49 WeakPolarHBondContact O-CE 3.33Å
47E45.3Very low69.4Low158 Ų15868.7 Ų68.774%0.73838%0.379SS*.SBendtrans-68.4-39.3-178.4-78.4-178.7168.200111.8F45 M49F45-E47 HydrophobicContact CD1-CG 4.19Å; F45-E47 HydrophobicContact CE1-CB 4.34Å; F45-E47 HydrophobicContact CE1-CG 3.4Å; F45-E47 HydrophobicContact CZ-CG 4.16Å; E47-M49 PolarHBondContact O-N 3.37Å
48D48.9Very low69Low152 Ų15272.4 Ų72.481%0.81339%0.393SS*.  trans-91.283.8-179.9-63-42.7000111.5
49M59.1Low68.7Low53 Ų5376.8 Ų76.826%0.26141%0.411SS..  trans-107.8122.2170.8-81.8-172-66.200113.1T34 T35 N38 S46 E47T34-M49 HydrophobicContact CG2-SD 3.96Å; T35-M49 VanDerWaalsContact CA-CE 3.43Å; T35-M49 VanDerWaalsContact CB-CE 3.46Å; T35-M49 HydrophobicContact CG2-CE 3.72Å; T35-M49 WeakPolarHBondContact OG1-CE 3.26Å; N38-M49 PolarHBondContact ND2-SD 2.86Å; S46-M49 WeakPolarHBondContact O-CE 3.33Å; E47-M49 PolarHBondContact O-N 3.37Å
50I57.8Low68.3Low151 Ų15176.9 Ų76.977%0.77441%0.411SS*.PPolyproline II helixtrans-79.5139.1171.1-58.4172.9000108.6T52I50-T52 PolarHBondContact O-N 3.36Å
51P55.6Low68Low36 Ų3680.1 Ų80.123%0.23443%0.432CS..PPolyproline II helixtrans-53.7135.5174.9-28.436.1000113.4Y30 V53Y30-P51 HydrophobicContact CD1-CG 4.08Å; Y30-P51 HydrophobicContact CE1-CG 3.27Å; P51-V53 PolarHBondContact O-N 3.07Å
52T64.6Low67.6Low29 Ų2983 Ų8318%0.17844%0.435CS..PPolyproline II helixtrans-58.6127174.8-52.90000111.5T34 I50 D71T34-T52 PolarHBondContact OG1-OG1 3.28Å; I50-T52 PolarHBondContact O-N 3.36Å; T52-D71 PolarHBondContact OG1-OD2 3.4Å; T52-D71 VanDerWaalsContact OG1-OD2 3.07Å
53V70.3Confident67.6Low109 Ų10982.8 Ų82.866%0.66145%0.445SS*.SBendtrans-89.1113.9170.3-176.50000108.3P51 F55 F78P51-V53 PolarHBondContact O-N 3.07Å; V53-F55 PolarHBondContact O-N 2.81Å; V53-F78 HydrophobicContact CG1-CZ 4Å
54G75.9Confident68.3Low11 Ų1184.4 Ų84.411%0.11345%0.445CS..SBendtrans81-107.3178.200000112.7G73 F78G54-G73 PolarHBondContact O-N 3.22Å; G54-F78 VanDerWaalsContact N-CE2 3.29Å
55F78.8Confident69.3Low100 Ų10078.1 Ų78.144%0.43942%0.417SS..EExtended strand (participates in β ladder)trans-151.7153.5-175.358.7-88.6000111.5V53 W70 D71 I72 Y85V53-F55 PolarHBondContact O-N 2.81Å; F55-W70 HydrophobicContact CD2-CE3 4.25Å; F55-W70 AromaticContact CD2-CZ3 3.91Å; F55-W70 HydrophobicContact CD2-CZ3 3.91Å; F55-W70 HydrophobicContact CE2-CZ3 4.23Å; F55-D71 CarbonylContact C-O 3.42Å; F55-D71 VanDerWaalsContact CA-O 3.3Å; F55-D71 WeakPolarHBondContact CA-O 3.44Å; F55-I72 HydrophobicContact CB-CD1 3.62Å; F55-Y85 HydrophobicContact CD1-CE2 4.37Å; F55-Y85 AromaticContact CD1-CZ 3.98Å; F55-Y85 WeakPolarHBondContact CD1-OH 3.36Å; F55-Y85 HydrophobicContact CD2-CE1 4.2Å; F55-Y85 WeakPolarHBondContact CE1-OH 3.33Å; F55-Y85 WeakPolarHBondContact CE2-OH 3.29Å; F55-Y85 HydrophobicContact CG-CE1 4.33Å; F55-Y85 AromaticContact CG-CZ 3.94Å; F55-Y85 VanDerWaalsContact CZ-OH 3.24Å; F55-Y85 WeakPolarHBondContact CZ-OH 3.13Å
56N81.1Confident70.8Confident73 Ų7374.7 Ų74.739%0.3940%0.402SS..EExtended strand (participates in β ladder)trans-137.5134.1173.6-169.1-54.1000109.5D71N56-D71 PolarHBondContact N-O 3.49Å; N56-D71 PolarHBondContact O-N 3.22Å
57M83.1Confident72.1Confident85 Ų8572.1 Ų72.142%0.41938%0.384SS..EExtended strand (participates in β ladder)trans-100.5126.3171.4-174-132.759.900109.7L69 W70M57-L69 WeakPolarHBondContact CA-O 3.25Å; M57-W70 HydrophobicContact CB-CD2 4.11Å; M57-W70 HydrophobicContact CB-CE3 3.71Å; M57-W70 HydrophobicContact CB-CH2 3.92Å; M57-W70 HydrophobicContact CB-CZ2 4.29Å; M57-W70 HydrophobicContact CB-CZ3 3.62Å; M57-W70 HydrophobicContact CG-CD2 4.16Å; M57-W70 HydrophobicContact CG-CE3 4.27Å; M57-W70 HydrophobicContact CG-CH2 4.18Å; M57-W70 HydrophobicContact CG-CZ2 4.07Å; M57-W70 HydrophobicContact CG-CZ3 4.29Å
58R83.5Confident74Confident80 Ų8067.5 Ų67.530%0.30236%0.361SS..EExtended strand (participates in β ladder)trans-117.4136.3170.6-69-132.3-170.3151.24.1111.4V37 N38 L69V37-R58 HydrophobicContact CG1-CB 3.88Å; V37-R58 HydrophobicContact CG1-CG 3.7Å; N38-R58 PolarHBondContact OD1-NH1 2.96Å; N38-R58 PolarHBondContact OD1-NH2 3.32Å; R58-L69 PolarHBondContact N-O 2.8Å; R58-L69 PolarHBondContact O-N 3.09Å
59K81.1Confident75.9Confident117 Ų11760.3 Ų60.351%0.50932%0.323SS..EExtended strand (participates in β ladder)trans-101.2120.7173.5-167.1174.4-173.41730108.7E20 T66 I67E20-K59 IonicContact OE1-NZ 2.82Å; K59-T66 HydrophobicContact CD-CG2 4.07Å; K59-T66 HydrophobicContact CG-CG2 3.84Å; K59-I67 CarbonylContact C-O 3.59Å; K59-I67 WeakPolarHBondContact CA-O 3.45Å
60I81.6Confident77.4Confident12 Ų1260.4 Ų60.46%0.06232%0.32CS..EExtended strand (participates in β ladder)trans-121123.4-178.6-59.8151.1000107.9I40 A41 I67 L69I40-I60 HydrophobicContact CD1-CD1 3.34Å; I40-I60 HydrophobicContact CG1-CD1 3.5Å; I40-I60 VanDerWaalsContact CG1-CD1 3.5Å; A41-I60 HydrophobicContact CB-CD1 4.37Å; A41-I60 HydrophobicContact CB-CG1 3.9Å; I60-I67 HydrophobicContact CB-CB 4.37Å; I60-I67 PolarHBondContact N-O 2.96Å; I60-I67 PolarHBondContact O-N 2.92Å; I60-L69 HydrophobicContact CD1-CB 4.46Å; I60-L69 HydrophobicContact CD1-CD2 4.26Å
61T77.8Confident78.8Confident89 Ų8953.4 Ų53.455%0.54628%0.284SS..EExtended strand (participates in β ladder)trans-109.1117.5178.8-52.20000108.9V65T61-V65 WeakPolarHBondContact CA-O 3.4Å
62K71.7Confident80.4Confident108 Ų10851.7 Ų51.747%0.4727%0.273SS..EExtended strand (participates in β ladder)trans-127.9112.7175.3-168.4169.8-176.8174.80109.6N64 V65 L174K62-N64 PolarHBondContact O-N 3.46Å; K62-V65 PolarHBondContact N-O 2.82Å; K62-V65 PolarHBondContact O-N 2.8Å; K62-V65 VanDerWaalsContact O-N 3.14Å; K62-L174 HydrophobicContact CD-CD1 4.11Å
63G74.4Confident81.4Confident66 Ų6650.4 Ų50.468%0.6827%0.265SS*.THydrogen-bonded Turntrans59.3-125.2-170.900000111
64N77.9Confident82.2Confident66 Ų6645.5 Ų45.535%0.35324%0.237SC..THydrogen-bonded Turntrans-93.74.4179.5-56.1-37000113.1Q14 K18 E19 K62Q14-N64 PolarHBondContact O-ND2 3.49Å; K18-N64 CarbonylContact C-O 3.55Å; K18-N64 WeakPolarHBondContact CA-O 3.37Å; E19-N64 PolarHBondContact N-O 3.5Å; K62-N64 PolarHBondContact O-N 3.46Å
65V77.4Confident82.8Confident9 Ų946.8 Ų46.86%0.05524%0.24CC..EExtended strand (participates in β ladder)trans-103.8130.3178.8-173.40000110E19 T61 K62 I67 I178E19-V65 HydrophobicContact CB-CG2 4.35Å; E19-V65 CarbonylContact O-C 3.6Å; E19-V65 WeakPolarHBondContact O-CA 3.45Å; T61-V65 WeakPolarHBondContact CA-O 3.4Å; K62-V65 PolarHBondContact N-O 2.82Å; K62-V65 PolarHBondContact O-N 2.8Å; K62-V65 VanDerWaalsContact O-N 3.14Å; V65-I67 HydrophobicContact CG1-CG1 4.02Å; V65-I178 HydrophobicContact CG2-CG1 4.38Å; V65-I178 HydrophobicContact CG2-CG2 4.08Å
66T82.9Confident83.3Confident7 Ų746.2 Ų46.24%0.04325%0.246CC..EExtended strand (participates in β ladder)trans-109.6114173.1-66.40000108.5E19 E20 M21 K59E19-T66 PolarHBondContact O-N 2.96Å; E20-T66 WeakPolarHBondContact CA-O 3.07Å; E20-T66 HydrophobicContact CG-CG2 4.42Å; M21-T66 PolarHBondContact N-O 2.9Å; K59-T66 HydrophobicContact CD-CG2 4.07Å; K59-T66 HydrophobicContact CG-CG2 3.84Å
67I84.9Confident83.7Confident3 Ų350.3 Ų50.32%0.01526%0.256CS..EExtended strand (participates in β ladder)trans-99.1119.4-179.1-60.6177.8000108.6M21 L23 K59 I60 V65 L69M21-I67 HydrophobicContact CG-CG1 4.14Å; M21-I67 HydrophobicContact CG-CG2 4.41Å; M21-I67 CarbonylContact O-C 3.45Å; M21-I67 WeakPolarHBondContact O-CA 3.36Å; M21-I67 HydrophobicContact SD-CD1 4.42Å; M21-I67 HydrophobicContact SD-CG1 4.1Å; L23-I67 HydrophobicContact CB-CG2 4.48Å; L23-I67 HydrophobicContact CD1-CG2 3.26Å; L23-I67 HydrophobicContact CG-CG2 3.8Å; K59-I67 CarbonylContact C-O 3.59Å; K59-I67 WeakPolarHBondContact CA-O 3.45Å; I60-I67 HydrophobicContact CB-CB 4.37Å; I60-I67 PolarHBondContact N-O 2.96Å; I60-I67 PolarHBondContact O-N 2.92Å; V65-I67 HydrophobicContact CG1-CG1 4.02Å; I67-L69 HydrophobicContact CG2-CB 4.34Å
68K86.4Confident83.9Confident61 Ų6147.4 Ų47.427%0.26524%0.241SC..EExtended strand (participates in β ladder)trans-93.3110165-65.7175.4-169.1158.60107.7E20 M21 E22 L23E20-K68 WeakPolarHBondContact OE2-CE 3.35Å; E20-K68 IonicContact OE2-NZ 3.76Å; E20-K68 PolarHBondContact OE2-NZ 3.14Å; M21-K68 PolarHBondContact O-N 3.25Å; E22-K68 CarbonylContact C-O 3.58Å; E22-K68 WeakPolarHBondContact CA-O 3.26Å; E22-K68 HydrophobicContact CG-CB 4.21Å; L23-K68 PolarHBondContact N-O 3.32Å
69L88.2Confident84.2Confident2 Ų246.2 Ų46.21%0.0124%0.237CC..EExtended strand (participates in β ladder)trans-110121.1-176.6-174.665.3000110.3L23 L25 V37 I40 M57 R58 I60 I67L23-L69 HydrophobicContact CB-CD1 3.54Å; L23-L69 HydrophobicContact CD1-CD1 4.14Å; L23-L69 HydrophobicContact CG-CD1 4.49Å; L23-L69 WeakPolarHBondContact O-CA 3.49Å; L25-L69 HydrophobicContact CB-CD1 3.9Å; L25-L69 HydrophobicContact CB-CG 4.34Å; L25-L69 HydrophobicContact CD2-CD2 4.36Å; V37-L69 HydrophobicContact CB-CD2 4.26Å; V37-L69 HydrophobicContact CG1-CD2 4.29Å; V37-L69 HydrophobicContact CG2-CD2 3.44Å; V37-L69 VanDerWaalsContact CG2-CD2 3.44Å; V37-L69 HydrophobicContact CG2-CG 4.35Å; I40-L69 HydrophobicContact CD1-CD2 3.85Å; M57-L69 WeakPolarHBondContact CA-O 3.25Å; R58-L69 PolarHBondContact N-O 2.8Å; R58-L69 PolarHBondContact O-N 3.09Å; I60-L69 HydrophobicContact CD1-CB 4.46Å; I60-L69 HydrophobicContact CD1-CD2 4.26Å; I67-L69 HydrophobicContact CG2-CB 4.34Å
70W89.8Confident84.6Confident54 Ų5445 Ų4521%0.20524%0.243CC..EExtended strand (participates in β ladder)trans-92.7106.2171.6-65.699.6000110.4E22 L23 T24 L25 F55 M57 I72 Y85E22-W70 PolarHBondContact OE1-NE1 3.47Å; L23-W70 PolarHBondContact O-N 3.49Å; T24-W70 HydrophobicContact CG2-CB 4.11Å; L25-W70 PolarHBondContact N-O 2.72Å; F55-W70 HydrophobicContact CD2-CE3 4.25Å; F55-W70 AromaticContact CD2-CZ3 3.91Å; F55-W70 HydrophobicContact CD2-CZ3 3.91Å; F55-W70 HydrophobicContact CE2-CZ3 4.23Å; M57-W70 HydrophobicContact CB-CD2 4.11Å; M57-W70 HydrophobicContact CB-CE3 3.71Å; M57-W70 HydrophobicContact CB-CH2 3.92Å; M57-W70 HydrophobicContact CB-CZ2 4.29Å; M57-W70 HydrophobicContact CB-CZ3 3.62Å; M57-W70 HydrophobicContact CG-CD2 4.16Å; M57-W70 HydrophobicContact CG-CE3 4.27Å; M57-W70 HydrophobicContact CG-CH2 4.18Å; M57-W70 HydrophobicContact CG-CZ2 4.07Å; M57-W70 HydrophobicContact CG-CZ3 4.29Å; W70-I72 HydrophobicContact CB-CD1 4.02Å; W70-Y85 AromaticContact CD2-CD1 3.88Å; W70-Y85 HydrophobicContact CD2-CD1 3.88Å; W70-Y85 HydrophobicContact CD2-CE1 4.19Å; W70-Y85 AromaticContact CE3-CD1 3.78Å; W70-Y85 HydrophobicContact CE3-CD1 3.78Å; W70-Y85 AromaticContact CE3-CE1 3.67Å; W70-Y85 HydrophobicContact CE3-CE1 3.67Å; W70-Y85 HydrophobicContact CG-CD1 4.23Å; W70-Y85 HydrophobicContact CH2-CE1 4.3Å; W70-Y85 HydrophobicContact CZ3-CD1 4.26Å; W70-Y85 AromaticContact CZ3-CE1 3.72Å; W70-Y85 HydrophobicContact CZ3-CE1 3.72Å
71D88Confident84.9Confident5 Ų546.2 Ų46.23%0.02725%0.249CC..EExtended strand (participates in β ladder)trans-83.2110.7169.3178.724.8000109.1K33 T34 V37 T52 F55 N56K33-D71 WeakPolarHBondContact CB-OD1 3.36Å; T34-D71 PolarHBondContact OG1-OD2 3.38Å; V37-D71 HydrophobicContact CG2-CB 4.11Å; T52-D71 PolarHBondContact OG1-OD2 3.4Å; T52-D71 VanDerWaalsContact OG1-OD2 3.07Å; F55-D71 CarbonylContact C-O 3.42Å; F55-D71 VanDerWaalsContact CA-O 3.3Å; F55-D71 WeakPolarHBondContact CA-O 3.44Å; N56-D71 PolarHBondContact N-O 3.49Å; N56-D71 PolarHBondContact O-N 3.22Å
72I88.8Confident85.7Confident0 Ų042.1 Ų42.10%022%0.224CC..EExtended strand (participates in β ladder)trans-103.9136.7-177.7-47.2-60.8000110.5T24 L25 V26 K33 F55 W70 G74 W82 Y85T24-I72 HydrophobicContact CG2-CG1 3.81Å; L25-I72 PolarHBondContact O-N 3.44Å; L25-I72 VanDerWaalsContact O-N 3.15Å; V26-I72 HydrophobicContact CG1-CB 4.19Å; V26-I72 HydrophobicContact CG1-CG1 4.12Å; K33-I72 WeakPolarHBondContact CE-O 3.33Å; F55-I72 HydrophobicContact CB-CD1 3.62Å; W70-I72 HydrophobicContact CB-CD1 4.02Å; I72-G74 PolarHBondContact O-N 2.71Å; I72-W82 VanDerWaalsContact CG2-CD1 3.46Å; I72-Y85 HydrophobicContact CD1-CD1 3.97Å; I72-Y85 HydrophobicContact CD1-CD2 4.01Å; I72-Y85 HydrophobicContact CD1-CG 3.67Å
73G85Confident86.8Confident1 Ų139 Ų391%0.0121%0.21CC..  trans-55.3136176.800000112.7G54 F78 W82G54-G73 PolarHBondContact O-N 3.22Å; G73-F78 WeakPolarHBondContact O-CB 3.43Å; G73-W82 PolarHBondContact O-NE1 3.39Å; G73-W82 VanDerWaalsContact O-NE1 3.14Å
74G87.8Confident87.6Confident6 Ų644.6 Ų44.66%0.06221%0.211CC..  trans-90.1-3.1-17700000115.6G27 Q29 I72 R79G27-G74 VanDerWaalsContact O-CA 3.24Å; G27-G74 WeakPolarHBondContact O-CA 3.48Å; Q29-G74 PolarHBondContact N-O 3.48Å; I72-G74 PolarHBondContact O-N 2.71Å; G74-R79 PolarHBondContact O-NE 3.4Å
75Q87.9Confident88.2Confident39 Ų3944.2 Ų44.218%0.18221%0.205CC..SBendtrans-66.3145.6177.8-75170.612.700110.5R77 F78Q75-R77 HydrophobicContact CB-CG 4.15Å; Q75-R77 PolarHBondContact O-N 2.71Å; Q75-R77 VanDerWaalsContact O-N 3.08Å; Q75-R77 VanDerWaalsContact OE1-CZ 3.24Å; Q75-F78 HydrophobicContact CB-CD2 3.89Å; Q75-F78 HydrophobicContact CB-CE2 4.29Å; Q75-F78 PolarHBondContact O-N 2.77Å
76P89.1Confident89Confident88 Ų8843.8 Ų43.857%0.57120%0.202SC*.Hα-helixtrans-47.4-42.4179.8-30.435.5000114.3F78 R79P76-F78 PolarHBondContact O-N 3.04Å; P76-R79 PolarHBondContact O-N 3.48Å; P76-R79 VanDerWaalsContact O-N 3.14Å
77R89.8Confident89.4Confident158 Ų15849.2 Ų49.260%0.59622%0.222SC*.Hα-helixtrans-59.9-19.217966.3175.7173.2172.60.3115.3Q75Q75-R77 HydrophobicContact CB-CG 4.15Å; Q75-R77 PolarHBondContact O-N 2.71Å; Q75-R77 VanDerWaalsContact O-N 3.08Å; Q75-R77 VanDerWaalsContact OE1-CZ 3.24Å
78F88.7Confident89.5Confident24 Ų2451.5 Ų51.511%0.10525%0.246CC..Hα-helixtrans-103.5-9.9-178.6-60.8-45.7000113.4V53 G54 G73 Q75 P76 S80 M81V53-F78 HydrophobicContact CG1-CZ 4Å; G54-F78 VanDerWaalsContact N-CE2 3.29Å; G73-F78 WeakPolarHBondContact O-CB 3.43Å; Q75-F78 HydrophobicContact CB-CD2 3.89Å; Q75-F78 HydrophobicContact CB-CE2 4.29Å; Q75-F78 PolarHBondContact O-N 2.77Å; P76-F78 PolarHBondContact O-N 3.04Å; F78-S80 VanDerWaalsContact C-N 3.28Å; F78-S80 PolarHBondContact O-N 2.84Å; F78-M81 HydrophobicContact CB-CE 3.63Å; F78-M81 HydrophobicContact CD1-CE 3.41Å; F78-M81 VanDerWaalsContact CD1-CE 3.41Å; F78-M81 HydrophobicContact CE1-CE 4.37Å; F78-M81 HydrophobicContact CG-CE 3.82Å; F78-M81 WeakPolarHBondContact O-CB 3.31Å; F78-M81 PolarHBondContact O-N 2.77Å
79R89.8Confident89.9Confident56 Ų5648.6 Ų48.621%0.21123%0.234CC..Hα-helixtrans-65.2-29.7-174.9-60.1-172-171.9157.61113.3G74 P76 M81 W82 E110G74-R79 PolarHBondContact O-NE 3.4Å; P76-R79 PolarHBondContact O-N 3.48Å; P76-R79 VanDerWaalsContact O-N 3.14Å; R79-M81 PolarHBondContact O-N 2.76Å; R79-M81 VanDerWaalsContact O-N 3.14Å; R79-W82 HydrophobicContact CB-CD2 4.31Å; R79-W82 HydrophobicContact CG-CD2 4.43Å; R79-W82 HydrophobicContact CG-CH2 4.17Å; R79-W82 HydrophobicContact CG-CZ2 3.76Å; R79-W82 VanDerWaalsContact O-CB 3.31Å; R79-W82 WeakPolarHBondContact O-CB 3.41Å; R79-W82 PolarHBondContact O-N 2.87Å; R79-E110 VanDerWaalsContact CD-OE1 3.23Å; R79-E110 WeakPolarHBondContact CD-OE1 3.4Å; R79-E110 WeakPolarHBondContact CD-OE2 3.39Å; R79-E110 IonicContact CZ-OE1 3.66Å; R79-E110 IonicContact NE-OE1 3.75Å; R79-E110 IonicContact NH1-OE1 2.66Å; R79-E110 PolarHBondContact NH1-OE1 2.83Å
80S88.5Confident90.1Very high90 Ų9049.1 Ų49.163%0.62924%0.238SC*.THydrogen-bonded Turntrans-62.2-19.4172.860.40000113.7F78F78-S80 VanDerWaalsContact C-N 3.28Å; F78-S80 PolarHBondContact O-N 2.84Å
81M88.9Confident90.4Very high39 Ų3946.6 Ų46.619%0.19223%0.228CC..THydrogen-bonded Turntrans-83.9-21175.9-57.4-171.7-59.900112.5F78 R79 E83 R84 Y85F78-M81 HydrophobicContact CB-CE 3.63Å; F78-M81 HydrophobicContact CD1-CE 3.41Å; F78-M81 VanDerWaalsContact CD1-CE 3.41Å; F78-M81 HydrophobicContact CE1-CE 4.37Å; F78-M81 HydrophobicContact CG-CE 3.82Å; F78-M81 WeakPolarHBondContact O-CB 3.31Å; F78-M81 PolarHBondContact O-N 2.77Å; R79-M81 PolarHBondContact O-N 2.76Å; R79-M81 VanDerWaalsContact O-N 3.14Å; M81-E83 VanDerWaalsContact C-N 3.31Å; M81-E83 PolarHBondContact O-N 2.99Å; M81-R84 WeakPolarHBondContact O-CB 3.43Å; M81-R84 PolarHBondContact O-N 2.99Å; M81-Y85 HydrophobicContact CB-CD2 4.09Å; M81-Y85 HydrophobicContact CB-CE2 4.19Å; M81-Y85 WeakPolarHBondContact O-CD2 3.36Å; M81-Y85 PolarHBondContact O-N 3.47Å; M81-Y85 VanDerWaalsContact O-N 3.12Å
82W94.3Very high90.9Very high3 Ų346.3 Ų46.31%0.01123%0.227CC..Hα-helixtrans-55.2-47.8-174.8-67.36.1000111.8V26 G27 L28 I72 G73 R79 R84 Y85 C86 Y94 E110 L114V26-W82 HydrophobicContact CB-CD2 4.04Å; V26-W82 HydrophobicContact CB-CE3 4.26Å; V26-W82 HydrophobicContact CB-CG 4.32Å; V26-W82 HydrophobicContact CG1-CB 4.22Å; V26-W82 HydrophobicContact CG1-CD2 4.2Å; V26-W82 HydrophobicContact CG1-CG 3.95Å; G27-W82 WeakPolarHBondContact O-CZ2 3.34Å; L28-W82 HydrophobicContact CD2-CH2 4.44Å; I72-W82 VanDerWaalsContact CG2-CD1 3.46Å; G73-W82 PolarHBondContact O-NE1 3.39Å; G73-W82 VanDerWaalsContact O-NE1 3.14Å; R79-W82 HydrophobicContact CB-CD2 4.31Å; R79-W82 HydrophobicContact CG-CD2 4.43Å; R79-W82 HydrophobicContact CG-CH2 4.17Å; R79-W82 HydrophobicContact CG-CZ2 3.76Å; R79-W82 VanDerWaalsContact O-CB 3.31Å; R79-W82 WeakPolarHBondContact O-CB 3.41Å; R79-W82 PolarHBondContact O-N 2.87Å; W82-R84 VanDerWaalsContact C-N 3.3Å; W82-R84 PolarHBondContact O-N 2.85Å; W82-Y85 PolarHBondContact O-N 3.44Å; W82-C86 WeakPolarHBondContact O-CB 3.49Å; W82-C86 PolarHBondContact O-N 3.02Å; W82-C86 PolarHBondContact O-SG 2.99Å; W82-Y94 HydrophobicContact CZ3-CE2 4.01Å; W82-E110 HydrophobicContact CH2-CB 4.34Å; W82-E110 HydrophobicContact CZ3-CB 3.94Å; W82-L114 HydrophobicContact CB-CD1 3.88Å; W82-L114 HydrophobicContact CE3-CD2 4.27Å
83E93.6Very high91.3Very high41 Ų4146.3 Ų46.319%0.19223%0.227CC..Hα-helixtrans-55-46.3176.6-175.7-167.7137.900111.5M81 Y85 C86 R87 L114 K117 Q119M81-E83 VanDerWaalsContact C-N 3.31Å; M81-E83 PolarHBondContact O-N 2.99Å; E83-Y85 PolarHBondContact O-N 2.99Å; E83-C86 PolarHBondContact O-N 2.89Å; E83-R87 WeakPolarHBondContact O-CG 3.49Å; E83-R87 PolarHBondContact O-N 3.45Å; E83-R87 IonicContact OE1-CZ 3.65Å; E83-R87 IonicContact OE1-NE 2.7Å; E83-R87 IonicContact OE1-NH2 2.64Å; E83-R87 PolarHBondContact OE1-NH2 3.44Å; E83-L114 HydrophobicContact CB-CD1 4.48Å; E83-K117 HydrophobicContact CB-CG 4.38Å; E83-K117 HydrophobicContact CG-CB 4.03Å; E83-K117 HydrophobicContact CG-CD 4.45Å; E83-K117 HydrophobicContact CG-CG 3.86Å; E83-K117 WeakPolarHBondContact OE2-CD 3.3Å; E83-K117 WeakPolarHBondContact OE2-CE 3.28Å; E83-Q119 PolarHBondContact OE1-OE1 3.06Å; E83-Q119 VanDerWaalsContact OE1-OE1 3.12Å
84R91.3Very high92Very high184 Ų18446.3 Ų46.369%0.69423%0.226SC*.Hα-helixtrans-62.9-41.7-176.8-62.2-178179.8-171.3-1.2111.9M81 W82M81-R84 WeakPolarHBondContact O-CB 3.43Å; M81-R84 PolarHBondContact O-N 2.99Å; W82-R84 VanDerWaalsContact C-N 3.3Å; W82-R84 PolarHBondContact O-N 2.85Å
85Y91.4Very high92.5Very high58 Ų5846 Ų4623%0.22722%0.223CC..Hα-helixtrans-84.2-14-178.5-76-89000113.8T24 F55 W70 I72 M81 W82 E83 V89T24-Y85 PolarHBondContact OG1-O 2.83Å; F55-Y85 HydrophobicContact CD1-CE2 4.37Å; F55-Y85 AromaticContact CD1-CZ 3.98Å; F55-Y85 WeakPolarHBondContact CD1-OH 3.36Å; F55-Y85 HydrophobicContact CD2-CE1 4.2Å; F55-Y85 WeakPolarHBondContact CE1-OH 3.33Å; F55-Y85 WeakPolarHBondContact CE2-OH 3.29Å; F55-Y85 HydrophobicContact CG-CE1 4.33Å; F55-Y85 AromaticContact CG-CZ 3.94Å; F55-Y85 VanDerWaalsContact CZ-OH 3.24Å; F55-Y85 WeakPolarHBondContact CZ-OH 3.13Å; W70-Y85 AromaticContact CD2-CD1 3.88Å; W70-Y85 HydrophobicContact CD2-CD1 3.88Å; W70-Y85 HydrophobicContact CD2-CE1 4.19Å; W70-Y85 AromaticContact CE3-CD1 3.78Å; W70-Y85 HydrophobicContact CE3-CD1 3.78Å; W70-Y85 AromaticContact CE3-CE1 3.67Å; W70-Y85 HydrophobicContact CE3-CE1 3.67Å; W70-Y85 HydrophobicContact CG-CD1 4.23Å; W70-Y85 HydrophobicContact CH2-CE1 4.3Å; W70-Y85 HydrophobicContact CZ3-CD1 4.26Å; W70-Y85 AromaticContact CZ3-CE1 3.72Å; W70-Y85 HydrophobicContact CZ3-CE1 3.72Å; I72-Y85 HydrophobicContact CD1-CD1 3.97Å; I72-Y85 HydrophobicContact CD1-CD2 4.01Å; I72-Y85 HydrophobicContact CD1-CG 3.67Å; M81-Y85 HydrophobicContact CB-CD2 4.09Å; M81-Y85 HydrophobicContact CB-CE2 4.19Å; M81-Y85 WeakPolarHBondContact O-CD2 3.36Å; M81-Y85 PolarHBondContact O-N 3.47Å; M81-Y85 VanDerWaalsContact O-N 3.12Å; W82-Y85 PolarHBondContact O-N 3.44Å; E83-Y85 PolarHBondContact O-N 2.99Å; Y85-V89 WeakPolarHBondContact O-CG1 3.47Å
86C93.9Very high93Very high0 Ų044.2 Ų44.20%022%0.215CC..Hα-helixtrans-85.7-12.2173.3-66.50000112.7W82 E83 G88 V89 I92 L120 I123W82-C86 WeakPolarHBondContact O-CB 3.49Å; W82-C86 PolarHBondContact O-N 3.02Å; W82-C86 PolarHBondContact O-SG 2.99Å; E83-C86 PolarHBondContact O-N 2.89Å; C86-G88 PolarHBondContact O-N 3.27Å; C86-V89 VanDerWaalsContact O-CG2 3.28Å; C86-V89 WeakPolarHBondContact O-CG2 3.35Å; C86-V89 PolarHBondContact O-N 3.38Å; C86-I92 HydrophobicContact CB-CD1 3.91Å; C86-I92 HydrophobicContact CB-CG1 4.07Å; C86-L120 VanDerWaalsContact C-CD2 3.46Å; C86-L120 HydrophobicContact CB-CD1 3.69Å; C86-L120 HydrophobicContact CB-CD2 3.54Å; C86-L120 HydrophobicContact CB-CG 4.29Å; C86-I123 WeakPolarHBondContact O-CD1 3.46Å
87R91.8Very high93.4Very high121 Ų12141.1 Ų41.146%0.45719%0.194SC..THydrogen-bonded Turntrans-65.9131.5-179.4-74.1172.8-168-1780.9110.9E83 V89 Q119 L120E83-R87 WeakPolarHBondContact O-CG 3.49Å; E83-R87 PolarHBondContact O-N 3.45Å; E83-R87 IonicContact OE1-CZ 3.65Å; E83-R87 IonicContact OE1-NE 2.7Å; E83-R87 IonicContact OE1-NH2 2.64Å; E83-R87 PolarHBondContact OE1-NH2 3.44Å; R87-V89 PolarHBondContact O-N 2.98Å; R87-Q119 HydrophobicContact CG-CB 3.97Å; R87-L120 HydrophobicContact CG-CD2 3.95Å
88G87.4Confident93.8Very high51 Ų5133.6 Ų33.653%0.52617%0.165SC..THydrogen-bonded Turntrans71.35.7174.400000114.8C86 R184C86-G88 PolarHBondContact O-N 3.27Å; G88-R184 PolarHBondContact O-NH1 3.06Å; G88-R184 PolarHBondContact O-NH2 3.3Å
89V93.5Very high94.3Very high0 Ų033.9 Ų33.90%017%0.172CC..  trans-76.6156.2174.9-53.30000111.4E22 T24 Y85 C86 R87 V91 I92 I123 R184E22-V89 HydrophobicContact CG-CG1 4.13Å; T24-V89 WeakPolarHBondContact OG1-CG1 3.33Å; Y85-V89 WeakPolarHBondContact O-CG1 3.47Å; C86-V89 VanDerWaalsContact O-CG2 3.28Å; C86-V89 WeakPolarHBondContact O-CG2 3.35Å; C86-V89 PolarHBondContact O-N 3.38Å; R87-V89 PolarHBondContact O-N 2.98Å; V89-V91 WeakPolarHBondContact CG2-O 3.33Å; V89-I92 HydrophobicContact CG2-CG1 3.98Å; V89-I123 HydrophobicContact CG2-CG2 4.15Å; V89-R184 VanDerWaalsContact O-CZ 3.3Å; V89-R184 PolarHBondContact O-NH1 3.08Å; V89-R184 PolarHBondContact O-NH2 3.24Å
90S93.4Very high94.6Very high14 Ų1432.5 Ų32.510%0.09817%0.169CC..SBendtrans-74.9-34.6-178.5-53.10000111.5E22 R184E22-S90 WeakPolarHBondContact O-CB 3.28Å; E22-S90 PolarHBondContact O-N 3.26Å; E22-S90 PolarHBondContact O-OG 3.46Å; S90-R184 PolarHBondContact OG-NH1 2.9Å
91V96.3Very high94.8Very high0 Ų031.2 Ų31.20%016%0.159CC..EExtended strand (participates in β ladder)trans-149142.3179.2167.20000109M21 L23 T24 V89 V93 P124 L126 W176 L177 H180M21-V91 HydrophobicContact CE-CG2 4.14Å; L23-V91 HydrophobicContact CD2-CB 3.61Å; L23-V91 HydrophobicContact CD2-CG1 4.35Å; L23-V91 HydrophobicContact CD2-CG2 4.3Å; T24-V91 PolarHBondContact N-O 2.9Å; V89-V91 WeakPolarHBondContact CG2-O 3.33Å; V91-V93 HydrophobicContact CG1-CG2 4.1Å; V91-P124 WeakPolarHBondContact CA-O 3.19Å; V91-P124 HydrophobicContact CG2-CB 4.41Å; V91-L126 HydrophobicContact CG1-CB 4.34Å; V91-W176 HydrophobicContact CB-CZ3 4.27Å; V91-W176 HydrophobicContact CG1-CH2 4.11Å; V91-W176 HydrophobicContact CG1-CZ3 3.55Å; V91-W176 HydrophobicContact CG2-CH2 4.16Å; V91-W176 HydrophobicContact CG2-CZ3 3.69Å; V91-L177 HydrophobicContact CB-CD2 4.34Å; V91-L177 HydrophobicContact CG1-CD2 3.89Å; V91-H180 HydrophobicContact CG2-CB 3.63Å
92I97.8Very high95.2Very high0 Ų037.9 Ų37.90%019%0.189CC..EExtended strand (participates in β ladder)trans-94.5121.2164.3-62.9167.1000108.4V26 C86 V89 L114 L115 L120 I123 P124 V125 L126V26-I92 HydrophobicContact CG2-CG2 3.95Å; C86-I92 HydrophobicContact CB-CD1 3.91Å; C86-I92 HydrophobicContact CB-CG1 4.07Å; V89-I92 HydrophobicContact CG2-CG1 3.98Å; I92-L114 HydrophobicContact CG2-CD2 4.48Å; I92-L115 HydrophobicContact CD1-CD2 4.4Å; I92-L120 HydrophobicContact CD1-CD1 4.18Å; I92-I123 HydrophobicContact CD1-CB 4.34Å; I92-I123 HydrophobicContact CD1-CG2 4.12Å; I92-I123 HydrophobicContact CG1-CG2 3.91Å; I92-P124 PolarHBondContact N-O 3.12Å; I92-V125 HydrophobicContact CB-CG2 4.37Å; I92-V125 WeakPolarHBondContact O-CA 3.37Å; I92-L126 PolarHBondContact O-N 3.12Å
93V98.3Very high95.3Very high0 Ų041.8 Ų41.80%021%0.206CC..EExtended strand (participates in β ladder)trans-97117170.9-174.60000108.3T24 L25 V26 V91 L126 L128 L177T24-V93 PolarHBondContact O-N 3.29Å; L25-V93 WeakPolarHBondContact CA-O 3.29Å; L25-V93 HydrophobicContact CD1-CB 3.89Å; L25-V93 HydrophobicContact CD1-CG1 3.6Å; V26-V93 PolarHBondContact N-O 3.47Å; V91-V93 HydrophobicContact CG1-CG2 4.1Å; V93-L126 CarbonylContact C-O 3.58Å; V93-L126 WeakPolarHBondContact CA-O 3.35Å; V93-L128 HydrophobicContact CG1-CD1 3.49Å; V93-L128 VanDerWaalsContact CG1-CD1 3.49Å; V93-L128 HydrophobicContact CG1-CG 4.02Å; V93-L177 HydrophobicContact CG2-CD2 3.88Å
94Y98.6Very high95.5Very high0 Ų040.2 Ų40.20%020%0.199CC..EExtended strand (participates in β ladder)trans-107.7112.2-179.3-166.2-83000110.5V26 W82 V96 S107 L111 L126 V127 L128 M147V26-Y94 HydrophobicContact CG2-CD2 3.75Å; V26-Y94 HydrophobicContact CG2-CE2 4.37Å; V26-Y94 WeakPolarHBondContact O-CA 3.38Å; W82-Y94 HydrophobicContact CZ3-CE2 4.01Å; Y94-V96 HydrophobicContact CD1-CG2 3.78Å; Y94-V96 HydrophobicContact CE1-CG2 3.79Å; Y94-S107 VanDerWaalsContact CE1-OG 3.28Å; Y94-S107 WeakPolarHBondContact CE1-OG 3.44Å; Y94-S107 PolarHBondContact OH-O 3.4Å; Y94-S107 PolarHBondContact OH-OG 3.21Å; Y94-L111 HydrophobicContact CD1-CB 4.45Å; Y94-L111 HydrophobicContact CD1-CD1 4.32Å; Y94-L111 HydrophobicContact CD1-CD2 4.46Å; Y94-L111 HydrophobicContact CD2-CB 4.2Å; Y94-L111 HydrophobicContact CD2-CD1 3.55Å; Y94-L111 HydrophobicContact CD2-CG 4.41Å; Y94-L111 HydrophobicContact CE1-CB 4.11Å; Y94-L111 HydrophobicContact CE2-CB 3.81Å; Y94-L111 HydrophobicContact CE2-CD1 4.04Å; Y94-L111 HydrophobicContact CG-CD1 3.73Å; Y94-L126 PolarHBondContact N-O 3.3Å; Y94-V127 CarbonylContact O-C 3.56Å; Y94-V127 WeakPolarHBondContact O-CA 3.42Å; Y94-L128 PolarHBondContact O-N 2.97Å; Y94-M147 HydrophobicContact CD1-CE 4.42Å; Y94-M147 HydrophobicContact CE1-CE 3.98Å
95M98.6Very high95.8Very high0 Ų036.1 Ų36.10%019%0.188CC..EExtended strand (participates in β ladder)trans-96.1120.6-174-171.170.366.400111.7L25 V26 S31 K33 F36 L128 N130 I162L25-M95 HydrophobicContact CD1-CB 4.04Å; L25-M95 HydrophobicContact CD1-CE 3.96Å; V26-M95 PolarHBondContact O-N 3Å; S31-M95 VanDerWaalsContact CB-O 3.27Å; S31-M95 WeakPolarHBondContact CB-O 3.49Å; S31-M95 VanDerWaalsContact O-CG 3.31Å; S31-M95 WeakPolarHBondContact O-CG 3.38Å; S31-M95 WeakPolarHBondContact OG-CG 3.22Å; S31-M95 PolarHBondContact OG-O 2.77Å; S31-M95 VanDerWaalsContact OG-O 3.04Å; K33-M95 HydrophobicContact CD-CB 4.48Å; K33-M95 HydrophobicContact CG-CB 3.66Å; K33-M95 HydrophobicContact CG-CG 4.02Å; F36-M95 HydrophobicContact CB-CE 3.55Å; F36-M95 HydrophobicContact CD1-CE 4.07Å; F36-M95 HydrophobicContact CD2-CE 4.01Å; F36-M95 HydrophobicContact CG-CE 3.61Å; M95-L128 HydrophobicContact CE-CB 4.12Å; M95-L128 HydrophobicContact CE-CD1 3.84Å; M95-L128 HydrophobicContact SD-CB 3.8Å; M95-N130 HydrophobicContact CG-CB 4.47Å; M95-N130 HydrophobicContact SD-CB 3.49Å; M95-N130 WeakPolarHBondContact SD-CB 3.43Å; M95-I162 HydrophobicContact CE-CD1 4.41Å; M95-I162 HydrophobicContact SD-CD1 4.41Å
96V98.4Very high96.1Very high2 Ų235.5 Ų35.51%0.01220%0.195CC..EExtended strand (participates in β ladder)trans-110.6140.8177.8-175.10000109.4Y94 A98 I104 V127 L128 N130 L143 M147Y94-V96 HydrophobicContact CD1-CG2 3.78Å; Y94-V96 HydrophobicContact CE1-CG2 3.79Å; V96-A98 PolarHBondContact O-N 3.44Å; V96-I104 HydrophobicContact CG1-CD1 3.44Å; V96-I104 VanDerWaalsContact CG1-CD1 3.44Å; V96-V127 HydrophobicContact CG2-CG1 4Å; V96-L128 PolarHBondContact N-O 3.09Å; V96-N130 PolarHBondContact O-N 2.9Å; V96-L143 HydrophobicContact CG1-CD2 4.03Å; V96-M147 HydrophobicContact CG2-CE 3.79Å; V96-M147 HydrophobicContact CG2-SD 4.29Å
97D98.3Very high96.3Very high22 Ų2235.7 Ų35.712%0.11820%0.196CC..EExtended strand (participates in β ladder)trans-81.5101.3166.5-168.4-12.9000108.7A99 D100 K131D97-A99 PolarHBondContact O-N 3.15Å; D97-A99 PolarHBondContact OD1-N 3.3Å; D97-A99 VanDerWaalsContact OD1-N 3.16Å; D97-D100 HydrophobicContact CB-CB 4.05Å; D97-D100 PolarHBondContact O-N 3.06Å; D97-K131 VanDerWaalsContact OD1-CD 3.27Å; D97-K131 WeakPolarHBondContact OD1-CD 3.4Å; D97-K131 IonicContact OD1-NZ 3.82Å; D97-K131 VanDerWaalsContact OD2-CE 3.32Å; D97-K131 WeakPolarHBondContact OD2-CE 3.38Å; D97-K131 IonicContact OD2-NZ 2.67Å; D97-K131 PolarHBondContact OD2-NZ 3.04Å
98A98.3Very high96.6Very high0 Ų031.9 Ų31.90%018%0.183CC..THydrogen-bonded Turntrans-69.9-18.3-178.200000112.2V96 D100 N130 A137 L138 L143V96-A98 PolarHBondContact O-N 3.44Å; A98-D100 VanDerWaalsContact C-N 3.35Å; A98-N130 VanDerWaalsContact CB-O 3.3Å; A98-N130 WeakPolarHBondContact CB-O 3.36Å; A98-N130 PolarHBondContact N-O 2.85Å; A98-A137 HydrophobicContact CB-CB 4.25Å; A98-A137 CarbonylContact O-C 3.55Å; A98-A137 WeakPolarHBondContact O-CA 3.31Å; A98-L138 HydrophobicContact CB-CB 4.33Å; A98-L138 PolarHBondContact O-N 3Å; A98-L143 HydrophobicContact CB-CD1 4.28Å
99A97.9Very high97.2Very high30 Ų3032.8 Ų32.825%0.24818%0.176CC..THydrogen-bonded Turntrans-89.62.8179.800000113.6D97 P101 K131 V134 A137D97-A99 PolarHBondContact O-N 3.15Å; D97-A99 PolarHBondContact OD1-N 3.3Å; D97-A99 VanDerWaalsContact OD1-N 3.16Å; A99-P101 WeakPolarHBondContact O-CD 3.19Å; A99-K131 HydrophobicContact CB-CB 4.09Å; A99-V134 HydrophobicContact CB-CB 3.67Å; A99-V134 HydrophobicContact CB-CG1 3.77Å; A99-V134 HydrophobicContact CB-CG2 4.12Å; A99-A137 HydrophobicContact CB-CB 4.13Å
100D97.3Very high97.4Very high28 Ų2835 Ų3515%0.1519%0.186CC..  trans-123.778.3-179.8-169.9-14000111.5D97 A98 E102 K103D97-D100 HydrophobicContact CB-CB 4.05Å; D97-D100 PolarHBondContact O-N 3.06Å; A98-D100 VanDerWaalsContact C-N 3.35Å; D100-E102 PolarHBondContact O-N 3.09Å; D100-K103 PolarHBondContact O-N 2.82Å; D100-K103 VanDerWaalsContact O-N 3.16Å; D100-K103 WeakPolarHBondContact OD2-CD 3.31Å; D100-K103 VanDerWaalsContact OD2-CE 3.24Å; D100-K103 WeakPolarHBondContact OD2-CE 3.36Å; D100-K103 WeakPolarHBondContact OD2-CG 3.12Å; D100-K103 IonicContact OD2-NZ 3.54Å; D100-K103 PolarHBondContact OD2-NZ 3.21Å
101P92.6Very high97.6Very high63 Ų6334.3 Ų34.341%0.40918%0.181SC..Hα-helixtrans-57.8-29.7-177.8-26.636000114.2A99 K103 I104A99-P101 WeakPolarHBondContact O-CD 3.19Å; P101-K103 PolarHBondContact O-N 2.93Å; P101-I104 WeakPolarHBondContact O-CB 3.28Å; P101-I104 PolarHBondContact O-N 3.19Å
102E96.4Very high97.7Very high179 Ų17936.1 Ų36.184%0.83619%0.19SC*.Hα-helixtrans-65.4-29.4-178.4-61.6-175.3173.300112D100D100-E102 PolarHBondContact O-N 3.09Å
103K96.7Very high97.7Very high85 Ų8540.2 Ų40.237%0.3721%0.212SC..Hα-helixtrans-91.7-7.1-179.9-67.4-170.4-171.11220114.3L28 D100 P101 E105 A106 S107L28-K103 HydrophobicContact CD1-CB 4.1Å; D100-K103 PolarHBondContact O-N 2.82Å; D100-K103 VanDerWaalsContact O-N 3.16Å; D100-K103 WeakPolarHBondContact OD2-CD 3.31Å; D100-K103 VanDerWaalsContact OD2-CE 3.24Å; D100-K103 WeakPolarHBondContact OD2-CE 3.36Å; D100-K103 WeakPolarHBondContact OD2-CG 3.12Å; D100-K103 IonicContact OD2-NZ 3.54Å; D100-K103 PolarHBondContact OD2-NZ 3.21Å; P101-K103 PolarHBondContact O-N 2.93Å; K103-E105 PolarHBondContact O-N 3.04Å; K103-A106 PolarHBondContact O-N 2.88Å; K103-S107 WeakPolarHBondContact O-CB 3.43Å; K103-S107 PolarHBondContact O-N 2.85Å
104I97.8Very high97.7Very high7 Ų740.7 Ų40.74%0.03621%0.214CC..Hα-helixtrans-60.1-45.1-177.1-65.8-65.8000111.3V96 P101 A106 S107 K108 L138 L143 R146 M147V96-I104 HydrophobicContact CG1-CD1 3.44Å; V96-I104 VanDerWaalsContact CG1-CD1 3.44Å; P101-I104 WeakPolarHBondContact O-CB 3.28Å; P101-I104 PolarHBondContact O-N 3.19Å; I104-A106 PolarHBondContact O-N 2.87Å; I104-S107 WeakPolarHBondContact O-CB 3.46Å; I104-S107 PolarHBondContact O-N 2.84Å; I104-S107 VanDerWaalsContact O-N 3.14Å; I104-K108 WeakPolarHBondContact O-CB 3.18Å; I104-K108 PolarHBondContact O-N 3.11Å; I104-L138 HydrophobicContact CD1-CD1 3.82Å; I104-L138 HydrophobicContact CG1-CD1 3.81Å; I104-L143 HydrophobicContact CD1-CD2 4.2Å; I104-R146 HydrophobicContact CG2-CB 3.74Å; I104-M147 HydrophobicContact CG2-CG 4.48Å; I104-M147 HydrophobicContact CG2-SD 4Å
105E98Very high97.6Very high98 Ų9841.1 Ų41.146%0.45822%0.216SC..Hα-helixtrans-62.4-44.3179.8-175.758.8-153.200111.9K103 S107 K108 N109K103-E105 PolarHBondContact O-N 3.04Å; E105-S107 VanDerWaalsContact C-N 3.31Å; E105-S107 PolarHBondContact O-N 3.3Å; E105-K108 WeakPolarHBondContact O-CB 3.08Å; E105-K108 PolarHBondContact O-N 3.38Å; E105-K108 WeakPolarHBondContact OE1-CE 3.38Å; E105-K108 IonicContact OE1-NZ 3.68Å; E105-K108 PolarHBondContact OE1-NZ 2.73Å; E105-K108 WeakPolarHBondContact OE2-CE 3.32Å; E105-K108 IonicContact OE2-NZ 3.81Å; E105-K108 PolarHBondContact OE2-NZ 3.02Å; E105-N109 VanDerWaalsContact O-CG 3.26Å; E105-N109 PolarHBondContact O-N 3.21Å; E105-N109 PolarHBondContact O-ND2 3.4Å; E105-N109 PolarHBondContact OE1-ND2 3.48Å
106A97.5Very high97.5Very high46 Ų4646.8 Ų46.838%0.3825%0.247SC..Hα-helixtrans-63.5-39.2175.300000111.6L28 K103 I104 N109 E110L28-A106 HydrophobicContact CD1-CB 4.19Å; K103-A106 PolarHBondContact O-N 2.88Å; I104-A106 PolarHBondContact O-N 2.87Å; A106-N109 PolarHBondContact O-N 3.02Å; A106-E110 WeakPolarHBondContact O-CG 3.29Å; A106-E110 PolarHBondContact O-N 2.81Å; A106-E110 VanDerWaalsContact O-N 3.14Å
107S98.1Very high97.5Very high4 Ų450.5 Ų50.53%0.02826%0.263CS..Hα-helixtrans-67.3-42.4178.1-156.30000111.5Y94 K103 I104 E105 E110 L111Y94-S107 VanDerWaalsContact CE1-OG 3.28Å; Y94-S107 WeakPolarHBondContact CE1-OG 3.44Å; Y94-S107 PolarHBondContact OH-O 3.4Å; Y94-S107 PolarHBondContact OH-OG 3.21Å; K103-S107 WeakPolarHBondContact O-CB 3.43Å; K103-S107 PolarHBondContact O-N 2.85Å; I104-S107 WeakPolarHBondContact O-CB 3.46Å; I104-S107 PolarHBondContact O-N 2.84Å; I104-S107 VanDerWaalsContact O-N 3.14Å; E105-S107 VanDerWaalsContact C-N 3.31Å; E105-S107 PolarHBondContact O-N 3.3Å; S107-E110 PolarHBondContact O-N 3.49Å; S107-L111 PolarHBondContact O-N 2.84Å
108K98.6Very high97.3Very high40 Ų4053.9 Ų53.917%0.17429%0.286CS..Hα-helixtrans-54.4-54.7173-179.5-17280.8-167.70110.4I104 E105 E110 L111 H112 R146 M147 N148I104-K108 WeakPolarHBondContact O-CB 3.18Å; I104-K108 PolarHBondContact O-N 3.11Å; E105-K108 WeakPolarHBondContact O-CB 3.08Å; E105-K108 PolarHBondContact O-N 3.38Å; E105-K108 WeakPolarHBondContact OE1-CE 3.38Å; E105-K108 IonicContact OE1-NZ 3.68Å; E105-K108 PolarHBondContact OE1-NZ 2.73Å; E105-K108 WeakPolarHBondContact OE2-CE 3.32Å; E105-K108 IonicContact OE2-NZ 3.81Å; E105-K108 PolarHBondContact OE2-NZ 3.02Å; K108-E110 VanDerWaalsContact C-N 3.27Å; K108-E110 PolarHBondContact O-N 2.74Å; K108-L111 WeakPolarHBondContact O-CB 3.36Å; K108-L111 PolarHBondContact O-N 2.82Å; K108-H112 PolarHBondContact O-CD2 2.73Å; K108-H112 VanDerWaalsContact O-CD2 3.24Å; K108-H112 PolarHBondContact O-N 2.97Å; K108-R146 WeakPolarHBondContact CD-O 3.36Å; K108-M147 HydrophobicContact CB-CE 4.42Å; K108-M147 HydrophobicContact CB-SD 3.99Å; K108-M147 WeakPolarHBondContact CG-O 3.44Å; K108-N148 HydrophobicContact CD-CB 4.23Å
109N98.1Very high97.1Very high70 Ų7058.4 Ų58.437%0.37431%0.307SS..Hα-helixtrans-59.7-39.4-176.8-66.6-25.5000111.9E105 A106 N113E105-N109 VanDerWaalsContact O-CG 3.26Å; E105-N109 PolarHBondContact O-N 3.21Å; E105-N109 PolarHBondContact O-ND2 3.4Å; E105-N109 PolarHBondContact OE1-ND2 3.48Å; A106-N109 PolarHBondContact O-N 3.02Å; N109-N113 WeakPolarHBondContact O-CB 3.19Å; N109-N113 PolarHBondContact O-N 3.05Å; N109-N113 PolarHBondContact O-ND2 2.94Å; N109-N113 VanDerWaalsContact O-ND2 3.12Å
110E98.1Very high97Very high46 Ų4657 Ų5722%0.21530%0.295CS..Hα-helixtrans-69-35.5175.6-69.3-68.6176.200113.5L28 R79 W82 A106 S107 K108 L114L28-E110 HydrophobicContact CD2-CB 4.48Å; L28-E110 HydrophobicContact CD2-CG 4.11Å; R79-E110 VanDerWaalsContact CD-OE1 3.23Å; R79-E110 WeakPolarHBondContact CD-OE1 3.4Å; R79-E110 WeakPolarHBondContact CD-OE2 3.39Å; R79-E110 IonicContact CZ-OE1 3.66Å; R79-E110 IonicContact NE-OE1 3.75Å; R79-E110 IonicContact NH1-OE1 2.66Å; R79-E110 PolarHBondContact NH1-OE1 2.83Å; W82-E110 HydrophobicContact CH2-CB 4.34Å; W82-E110 HydrophobicContact CZ3-CB 3.94Å; A106-E110 WeakPolarHBondContact O-CG 3.29Å; A106-E110 PolarHBondContact O-N 2.81Å; A106-E110 VanDerWaalsContact O-N 3.14Å; S107-E110 PolarHBondContact O-N 3.49Å; K108-E110 VanDerWaalsContact C-N 3.27Å; K108-E110 PolarHBondContact O-N 2.74Å; E110-L114 VanDerWaalsContact O-CB 3.32Å; E110-L114 WeakPolarHBondContact O-CB 3.46Å; E110-L114 PolarHBondContact O-N 2.95Å; E110-L114 VanDerWaalsContact O-N 3.12Å
111L98.5Very high97Very high0 Ų062.5 Ų62.50%032%0.32CS..Hα-helixtrans-63.5-54.2173174.361.9000110.4Y94 S107 K108 N113 L114 L115 V125 V127 M147 L149 I152Y94-L111 HydrophobicContact CD1-CB 4.45Å; Y94-L111 HydrophobicContact CD1-CD1 4.32Å; Y94-L111 HydrophobicContact CD1-CD2 4.46Å; Y94-L111 HydrophobicContact CD2-CB 4.2Å; Y94-L111 HydrophobicContact CD2-CD1 3.55Å; Y94-L111 HydrophobicContact CD2-CG 4.41Å; Y94-L111 HydrophobicContact CE1-CB 4.11Å; Y94-L111 HydrophobicContact CE2-CB 3.81Å; Y94-L111 HydrophobicContact CE2-CD1 4.04Å; Y94-L111 HydrophobicContact CG-CD1 3.73Å; S107-L111 PolarHBondContact O-N 2.84Å; K108-L111 WeakPolarHBondContact O-CB 3.36Å; K108-L111 PolarHBondContact O-N 2.82Å; L111-N113 PolarHBondContact O-N 3.24Å; L111-L114 WeakPolarHBondContact O-CB 3.47Å; L111-L114 PolarHBondContact O-N 2.7Å; L111-L114 VanDerWaalsContact O-N 3.09Å; L111-L115 HydrophobicContact CD1-CD1 3.76Å; L111-L115 HydrophobicContact CD1-CD2 4.32Å; L111-L115 HydrophobicContact CD1-CG 3.93Å; L111-L115 HydrophobicContact CG-CD1 4.08Å; L111-L115 HydrophobicContact CG-CG 4.45Å; L111-L115 WeakPolarHBondContact O-CG 3.2Å; L111-L115 PolarHBondContact O-N 2.67Å; L111-V125 HydrophobicContact CD1-CG1 4.42Å; L111-V127 HydrophobicContact CD2-CG2 4.22Å; L111-M147 HydrophobicContact CB-CE 4.3Å; L111-M147 HydrophobicContact CD2-CE 3.87Å; L111-L149 HydrophobicContact CD2-CD2 3.74Å; L111-I152 HydrophobicContact CD2-CD1 4.39Å
112H98.4Very high97.1Very high39 Ų3961.6 Ų61.618%0.18132%0.322CS..Hα-helixtrans-60.7-45.4-178.7-76-97.3000111.4K108 L114 L115 D116 M147 N148K108-H112 PolarHBondContact O-CD2 2.73Å; K108-H112 VanDerWaalsContact O-CD2 3.24Å; K108-H112 PolarHBondContact O-N 2.97Å; H112-L114 PolarHBondContact O-N 2.99Å; H112-L115 PolarHBondContact O-N 3.26Å; H112-L115 VanDerWaalsContact O-N 3.07Å; H112-D116 VanDerWaalsContact O-CG 3.29Å; H112-D116 PolarHBondContact O-N 3.49Å; H112-M147 PolarHBondContact NE2-O 3.38Å; H112-N148 PolarHBondContact CE1-O 2.99Å
113N97.6Very high97.1Very high86 Ų8653.9 Ų53.946%0.4629%0.287SS..Hα-helixtrans-58.8-32.4174.8-74.7-22.3000113.9N109 L111 K117N109-N113 WeakPolarHBondContact O-CB 3.19Å; N109-N113 PolarHBondContact O-N 3.05Å; N109-N113 PolarHBondContact O-ND2 2.94Å; N109-N113 VanDerWaalsContact O-ND2 3.12Å; L111-N113 PolarHBondContact O-N 3.24Å; N113-K117 WeakPolarHBondContact O-CE 3.46Å
114L97.6Very high97.2Very high9 Ų951.1 Ų51.15%0.04728%0.277CS..Hα-helixtrans-73.5-43.1175.617966.7000110.8V26 W82 E83 I92 E110 L111 H112 D116 K117 L120V26-L114 HydrophobicContact CG2-CD2 3.88Å; W82-L114 HydrophobicContact CB-CD1 3.88Å; W82-L114 HydrophobicContact CE3-CD2 4.27Å; E83-L114 HydrophobicContact CB-CD1 4.48Å; I92-L114 HydrophobicContact CG2-CD2 4.48Å; E110-L114 VanDerWaalsContact O-CB 3.32Å; E110-L114 WeakPolarHBondContact O-CB 3.46Å; E110-L114 PolarHBondContact O-N 2.95Å; E110-L114 VanDerWaalsContact O-N 3.12Å; L111-L114 WeakPolarHBondContact O-CB 3.47Å; L111-L114 PolarHBondContact O-N 2.7Å; L111-L114 VanDerWaalsContact O-N 3.09Å; H112-L114 PolarHBondContact O-N 2.99Å; L114-D116 VanDerWaalsContact C-N 3.32Å; L114-D116 PolarHBondContact O-N 3.07Å; L114-K117 WeakPolarHBondContact O-CB 3.43Å; L114-K117 WeakPolarHBondContact O-CG 3.31Å; L114-K117 PolarHBondContact O-N 3.44Å; L114-L120 HydrophobicContact CD1-CD1 3.57Å; L114-L120 HydrophobicContact CG-CD1 3.89Å; L114-L120 WeakPolarHBondContact O-CD1 3.41Å
115L97.8Very high97.2Very high9 Ų950.8 Ų50.85%0.04728%0.276CS..Hα-helixtrans-74.6-23.5-176.7-59.4-175.9000113.1I92 L111 H112 K117 V125 I152 R155I92-L115 HydrophobicContact CD1-CD2 4.4Å; L111-L115 HydrophobicContact CD1-CD1 3.76Å; L111-L115 HydrophobicContact CD1-CD2 4.32Å; L111-L115 HydrophobicContact CD1-CG 3.93Å; L111-L115 HydrophobicContact CG-CD1 4.08Å; L111-L115 HydrophobicContact CG-CG 4.45Å; L111-L115 WeakPolarHBondContact O-CG 3.2Å; L111-L115 PolarHBondContact O-N 2.67Å; H112-L115 PolarHBondContact O-N 3.26Å; H112-L115 VanDerWaalsContact O-N 3.07Å; L115-K117 PolarHBondContact O-N 2.94Å; L115-K117 VanDerWaalsContact O-N 3.15Å; L115-V125 HydrophobicContact CD1-CG2 4.19Å; L115-V125 HydrophobicContact CD2-CG2 3.64Å; L115-I152 HydrophobicContact CD1-CD1 3.56Å; L115-I152 HydrophobicContact CD1-CG1 4.15Å; L115-I152 HydrophobicContact CD1-CG2 4.06Å; L115-R155 PolarHBondContact O-NH2 3.23Å
116D96.8Very high97.2Very high120 Ų12046.1 Ų46.164%0.64225%0.254SS*.THydrogen-bonded Turntrans-65-10.2171.1-74.9-13.4000113.6H112 L114 P118H112-D116 VanDerWaalsContact O-CG 3.29Å; H112-D116 PolarHBondContact O-N 3.49Å; L114-D116 VanDerWaalsContact C-N 3.32Å; L114-D116 PolarHBondContact O-N 3.07Å; D116-P118 VanDerWaalsContact O-CD 3.31Å; D116-P118 WeakPolarHBondContact O-CD 3.33Å
117K96.6Very high97.3Very high79 Ų7943.9 Ų43.934%0.34324%0.236SC..  trans-73.1118.7179.3-58.4-54.2-177.1-162.30110.4E83 N113 L114 L115 Q119 L120E83-K117 HydrophobicContact CB-CG 4.38Å; E83-K117 HydrophobicContact CG-CB 4.03Å; E83-K117 HydrophobicContact CG-CD 4.45Å; E83-K117 HydrophobicContact CG-CG 3.86Å; E83-K117 WeakPolarHBondContact OE2-CD 3.3Å; E83-K117 WeakPolarHBondContact OE2-CE 3.28Å; N113-K117 WeakPolarHBondContact O-CE 3.46Å; L114-K117 WeakPolarHBondContact O-CB 3.43Å; L114-K117 WeakPolarHBondContact O-CG 3.31Å; L114-K117 PolarHBondContact O-N 3.44Å; L115-K117 PolarHBondContact O-N 2.94Å; L115-K117 VanDerWaalsContact O-N 3.15Å; K117-Q119 PolarHBondContact O-N 2.88Å; K117-L120 HydrophobicContact CB-CD1 4.23Å; K117-L120 HydrophobicContact CB-CG 4.07Å; K117-L120 PolarHBondContact O-N 3.2Å
118P95Very high97.3Very high94 Ų9443.7 Ų43.761%0.6123%0.234SC*.G310 helixtrans-58.3-28.9-177.5-25.834.8000113.6D116 L120 Q121D116-P118 VanDerWaalsContact O-CD 3.31Å; D116-P118 WeakPolarHBondContact O-CD 3.33Å; P118-L120 PolarHBondContact O-N 3.34Å; P118-Q121 WeakPolarHBondContact O-CB 3.4Å; P118-Q121 PolarHBondContact O-N 2.97Å
119Q94.3Very high97.3Very high95 Ų9541.8 Ų41.844%0.44423%0.226SC..G310 helixtrans-70.3-11.9179.9-52.481.9600113.2E83 R87 K117E83-Q119 PolarHBondContact OE1-OE1 3.06Å; E83-Q119 VanDerWaalsContact OE1-OE1 3.12Å; R87-Q119 HydrophobicContact CG-CB 3.97Å; K117-Q119 PolarHBondContact O-N 2.88Å
120L96.5Very high97.4Very high0 Ų038.7 Ų38.70%021%0.21CC..G310 helixtrans-108.97.2-179.6-52.8-171.6000112.6C86 R87 I92 L114 K117 P118 G122 I123 R155C86-L120 VanDerWaalsContact C-CD2 3.46Å; C86-L120 HydrophobicContact CB-CD1 3.69Å; C86-L120 HydrophobicContact CB-CD2 3.54Å; C86-L120 HydrophobicContact CB-CG 4.29Å; R87-L120 HydrophobicContact CG-CD2 3.95Å; I92-L120 HydrophobicContact CD1-CD1 4.18Å; L114-L120 HydrophobicContact CD1-CD1 3.57Å; L114-L120 HydrophobicContact CG-CD1 3.89Å; L114-L120 WeakPolarHBondContact O-CD1 3.41Å; K117-L120 HydrophobicContact CB-CD1 4.23Å; K117-L120 HydrophobicContact CB-CG 4.07Å; K117-L120 PolarHBondContact O-N 3.2Å; P118-L120 PolarHBondContact O-N 3.34Å; L120-G122 PolarHBondContact O-N 3.09Å; L120-I123 HydrophobicContact CB-CD1 4.33Å; L120-I123 HydrophobicContact CD2-CD1 4.16Å; L120-I123 WeakPolarHBondContact O-CG1 3.32Å; L120-I123 PolarHBondContact O-N 2.93Å; L120-R155 PolarHBondContact O-NH1 3.36Å
121Q95.6Very high97.3Very high144 Ų14439.2 Ų39.267%0.67321%0.211SC*.THydrogen-bonded Turntrans-56.7135.8-176.5-171.1176.36.700111.7P118 I123P118-Q121 WeakPolarHBondContact O-CB 3.4Å; P118-Q121 PolarHBondContact O-N 2.97Å; Q121-I123 PolarHBondContact O-N 3.27Å; Q121-I123 VanDerWaalsContact O-N 3.14Å
122G95.4Very high97.3Very high44 Ų4445 Ų4545%0.45423%0.233SC..THydrogen-bonded Turntrans72.2-3.6176.300000116L120 P124L120-G122 PolarHBondContact O-N 3.09Å; G122-P124 WeakPolarHBondContact O-CD 3.32Å
123I96.9Very high97.2Very high16 Ų1645.8 Ų45.88%0.08224%0.239CC..  trans-69.4123.3174.7-57.6178000108.8C86 V89 I92 L120 Q121 R155C86-I123 WeakPolarHBondContact O-CD1 3.46Å; V89-I123 HydrophobicContact CG2-CG2 4.15Å; I92-I123 HydrophobicContact CD1-CB 4.34Å; I92-I123 HydrophobicContact CD1-CG2 4.12Å; I92-I123 HydrophobicContact CG1-CG2 3.91Å; L120-I123 HydrophobicContact CB-CD1 4.33Å; L120-I123 HydrophobicContact CD2-CD1 4.16Å; L120-I123 WeakPolarHBondContact O-CG1 3.32Å; L120-I123 PolarHBondContact O-N 2.93Å; Q121-I123 PolarHBondContact O-N 3.27Å; Q121-I123 VanDerWaalsContact O-N 3.14Å; I123-R155 WeakPolarHBondContact O-CD 3.32Å; I123-R155 PolarHBondContact O-NH1 2.83Å
124P97.9Very high97.2Very high27 Ų2744.4 Ų44.418%0.17523%0.233CC..  trans-58.9145.9177.2-24.433.9000112.8V91 I92 G122 E156 W176V91-P124 WeakPolarHBondContact CA-O 3.19Å; V91-P124 HydrophobicContact CG2-CB 4.41Å; I92-P124 PolarHBondContact N-O 3.12Å; G122-P124 WeakPolarHBondContact O-CD 3.32Å; P124-E156 WeakPolarHBondContact CA-O 3.41Å; P124-E156 HydrophobicContact CB-CB 4.24Å; P124-W176 HydrophobicContact CB-CH2 4Å
125V98.4Very high97.2Very high0 Ų050 Ų500%027%0.27CS..EExtended strand (participates in β ladder)trans-121.4129-177.9-179.70000110.6I92 L111 L115 V127 E156 I157 C158I92-V125 HydrophobicContact CB-CG2 4.37Å; I92-V125 WeakPolarHBondContact O-CA 3.37Å; L111-V125 HydrophobicContact CD1-CG1 4.42Å; L115-V125 HydrophobicContact CD1-CG2 4.19Å; L115-V125 HydrophobicContact CD2-CG2 3.64Å; V125-V127 HydrophobicContact CG1-CG2 4.04Å; V125-E156 PolarHBondContact N-O 2.7Å; V125-I157 HydrophobicContact CB-CD1 4.31Å; V125-I157 HydrophobicContact CB-CG1 4.1Å; V125-I157 HydrophobicContact CG1-CD1 4.24Å; V125-I157 HydrophobicContact CG1-CG1 4.29Å; V125-I157 WeakPolarHBondContact O-CA 3.49Å; V125-C158 PolarHBondContact O-N 2.88Å
126L98.6Very high97Very high0 Ų052.9 Ų52.90%030%0.302CS..EExtended strand (participates in β ladder)trans-110.6111168.8-178.562000109.6V91 I92 V93 Y94 L128 C158 Y160 T173 W176 L177V91-L126 HydrophobicContact CG1-CB 4.34Å; I92-L126 PolarHBondContact O-N 3.12Å; V93-L126 CarbonylContact C-O 3.58Å; V93-L126 WeakPolarHBondContact CA-O 3.35Å; Y94-L126 PolarHBondContact N-O 3.3Å; L126-L128 HydrophobicContact CD1-CD2 4.2Å; L126-L128 HydrophobicContact CD2-CD2 3.94Å; L126-L128 HydrophobicContact CD2-CG 4.4Å; L126-L128 HydrophobicContact CG-CD2 3.81Å; L126-L128 HydrophobicContact CG-CG 4.17Å; L126-C158 HydrophobicContact CD1-CB 3.87Å; L126-Y160 HydrophobicContact CD1-CD2 3.91Å; L126-Y160 HydrophobicContact CD1-CE2 4.08Å; L126-T173 HydrophobicContact CD2-CG2 3.93Å; L126-W176 HydrophobicContact CB-CE3 4.04Å; L126-W176 HydrophobicContact CB-CH2 4.12Å; L126-W176 HydrophobicContact CB-CZ3 3.76Å; L126-W176 HydrophobicContact CD1-CD2 4.23Å; L126-W176 HydrophobicContact CD1-CE3 4.34Å; L126-W176 HydrophobicContact CD2-CD2 4.33Å; L126-W176 HydrophobicContact CD2-CE3 3.8Å; L126-W176 HydrophobicContact CD2-CZ3 4.32Å; L126-W176 HydrophobicContact CG-CE3 4.28Å; L126-W176 HydrophobicContact CG-CZ3 4.49Å; L126-L177 HydrophobicContact CD2-CD2 4.17Å; L126-L177 HydrophobicContact CD2-CG 4.3Å
127V98.8Very high97.1Very high0 Ų048.2 Ų48.20%028%0.28CS..EExtended strand (participates in β ladder)trans-87.8123.3174.4-177.10000109.1Y94 V96 L111 V125 L149 I157 C158 C159 Y160Y94-V127 CarbonylContact O-C 3.56Å; Y94-V127 WeakPolarHBondContact O-CA 3.42Å; V96-V127 HydrophobicContact CG2-CG1 4Å; L111-V127 HydrophobicContact CD2-CG2 4.22Å; V125-V127 HydrophobicContact CG1-CG2 4.04Å; V127-L149 HydrophobicContact CB-CD1 4.17Å; V127-L149 HydrophobicContact CG1-CD1 4.37Å; V127-L149 HydrophobicContact CG2-CD1 3.98Å; V127-L149 HydrophobicContact CG2-CD2 4.11Å; V127-I157 HydrophobicContact CG2-CD1 4.21Å; V127-I157 HydrophobicContact CG2-CG1 4.37Å; V127-C158 PolarHBondContact N-O 3.05Å; V127-C159 HydrophobicContact CB-CB 4.31Å; V127-C159 CarbonylContact O-C 3.56Å; V127-C159 VanDerWaalsContact O-CA 3.26Å; V127-C159 WeakPolarHBondContact O-CA 3.24Å; V127-Y160 PolarHBondContact O-N 2.87Å
128L98.8Very high97.1Very high0 Ų044.7 Ų44.70%027%0.265CS..EExtended strand (participates in β ladder)trans-112.9110.7178.2-61.7179.1000109.4F36 V93 Y94 M95 V96 L126 N130 Y160 I162 T173F36-L128 HydrophobicContact CD2-CD1 4.41Å; F36-L128 HydrophobicContact CE1-CD1 4.45Å; F36-L128 HydrophobicContact CE2-CD1 3.94Å; F36-L128 HydrophobicContact CZ-CD1 3.96Å; V93-L128 HydrophobicContact CG1-CD1 3.49Å; V93-L128 VanDerWaalsContact CG1-CD1 3.49Å; V93-L128 HydrophobicContact CG1-CG 4.02Å; Y94-L128 PolarHBondContact O-N 2.97Å; M95-L128 HydrophobicContact CE-CB 4.12Å; M95-L128 HydrophobicContact CE-CD1 3.84Å; M95-L128 HydrophobicContact SD-CB 3.8Å; V96-L128 PolarHBondContact N-O 3.09Å; L126-L128 HydrophobicContact CD1-CD2 4.2Å; L126-L128 HydrophobicContact CD2-CD2 3.94Å; L126-L128 HydrophobicContact CD2-CG 4.4Å; L126-L128 HydrophobicContact CG-CD2 3.81Å; L126-L128 HydrophobicContact CG-CG 4.17Å; L128-N130 PolarHBondContact O-N 3.32Å; L128-Y160 WeakPolarHBondContact CA-O 3.38Å; L128-Y160 HydrophobicContact CD2-CD2 4.38Å; L128-I162 HydrophobicContact CB-CD1 3.97Å; L128-I162 HydrophobicContact CB-CG1 4.38Å; L128-I162 HydrophobicContact CD1-CD1 4Å; L128-I162 HydrophobicContact CD2-CD1 4.47Å; L128-I162 HydrophobicContact CD2-CG2 4.12Å; L128-I162 HydrophobicContact CG-CD1 4.37Å; L128-T173 HydrophobicContact CD1-CG2 3.83Å; L128-T173 HydrophobicContact CD2-CG2 3.99Å
129G98.6Very high97.2Very high0 Ų043.7 Ų43.70%025%0.254CS..EExtended strand (participates in β ladder)trans-80.795.1168.500000110.2L143 Y160 S161 I162G129-L143 VanDerWaalsContact CA-CD1 3.5Å; G129-Y160 PolarHBondContact N-O 3.41Å; G129-S161 CarbonylContact O-C 3.6Å; G129-S161 WeakPolarHBondContact O-CA 3.31Å; G129-I162 PolarHBondContact O-N 3.33Å
130N98.5Very high97.3Very high5 Ų543.3 Ų43.33%0.02725%0.252CS..EExtended strand (participates in β ladder)trans-88.7165.6-175.8-176.640.4000112.2S31 M95 V96 A98 L128 I162 C164S31-N130 PolarHBondContact O-ND2 3.37Å; M95-N130 HydrophobicContact CG-CB 4.47Å; M95-N130 HydrophobicContact SD-CB 3.49Å; M95-N130 WeakPolarHBondContact SD-CB 3.43Å; V96-N130 PolarHBondContact O-N 2.9Å; A98-N130 VanDerWaalsContact CB-O 3.3Å; A98-N130 WeakPolarHBondContact CB-O 3.36Å; A98-N130 PolarHBondContact N-O 2.85Å; L128-N130 PolarHBondContact O-N 3.32Å; N130-I162 CarbonylContact C-O 3.58Å; N130-I162 WeakPolarHBondContact CA-O 3.05Å; N130-I162 HydrophobicContact CB-CD1 4.35Å; N130-I162 HydrophobicContact CB-CG1 4Å; N130-C164 PolarHBondContact OD1-N 3.48Å; N130-C164 PolarHBondContact OD1-SG 3.39Å
131K97.8Very high97.3Very high57 Ų5751.2 Ų51.225%0.24829%0.287CS..  trans70.132.5-177.4-44.5-168.9-162.3168.50113.9Y30 D97 A99 D133 V134 A137 I162Y30-K131 WeakPolarHBondContact O-CE 3.42Å; Y30-K131 PolarHBondContact O-NZ 2.84Å; D97-K131 VanDerWaalsContact OD1-CD 3.27Å; D97-K131 WeakPolarHBondContact OD1-CD 3.4Å; D97-K131 IonicContact OD1-NZ 3.82Å; D97-K131 VanDerWaalsContact OD2-CE 3.32Å; D97-K131 WeakPolarHBondContact OD2-CE 3.38Å; D97-K131 IonicContact OD2-NZ 2.67Å; D97-K131 PolarHBondContact OD2-NZ 3.04Å; A99-K131 HydrophobicContact CB-CB 4.09Å; K131-D133 WeakPolarHBondContact CA-OD1 3.27Å; K131-D133 PolarHBondContact O-N 2.69Å; K131-D133 VanDerWaalsContact O-N 3.09Å; K131-V134 HydrophobicContact CB-CG2 4Å; K131-V134 WeakPolarHBondContact O-CB 3.47Å; K131-V134 PolarHBondContact O-N 3.4Å; K131-A137 WeakPolarHBondContact O-CB 3.49Å; K131-I162 PolarHBondContact N-O 3.28Å
132R97.2Very high97.5Very high120 Ų12047.6 Ų47.645%0.45327%0.27SS..THydrogen-bonded Turntrans-54.8-24.8172.9-172.1-172.1-175.8-168.15.8113.5V134 S161 I162 D168 N169R132-V134 PolarHBondContact O-N 3.33Å; R132-S161 VanDerWaalsContact CD-OG 3.28Å; R132-S161 WeakPolarHBondContact CD-OG 3.48Å; R132-S161 WeakPolarHBondContact CG-OG 3.36Å; R132-I162 VanDerWaalsContact CB-O 3.29Å; R132-I162 WeakPolarHBondContact CB-O 3.46Å; R132-I162 PolarHBondContact N-O 3.41Å; R132-I162 VanDerWaalsContact N-O 3.09Å; R132-D168 IonicContact CZ-OD2 3.21Å; R132-D168 IonicContact NH1-OD2 3.15Å; R132-D168 PolarHBondContact NH1-OD2 2.83Å; R132-N169 PolarHBondContact NH1-ND2 2.88Å
133D96.8Very high97.6Very high57 Ų5745.5 Ų45.531%0.30525%0.248SC..THydrogen-bonded Turntrans-65.4-17.7175.255.8-76.9000113.9K131 S163 K165 E166K131-D133 WeakPolarHBondContact CA-OD1 3.27Å; K131-D133 PolarHBondContact O-N 2.69Å; K131-D133 VanDerWaalsContact O-N 3.09Å; D133-S163 VanDerWaalsContact CG-OG 3.29Å; D133-S163 VanDerWaalsContact OD1-CB 3.31Å; D133-S163 WeakPolarHBondContact OD1-CB 3.32Å; D133-S163 PolarHBondContact OD1-OG 3.43Å; D133-K165 WeakPolarHBondContact OD2-CD 3.49Å; D133-E166 HydrophobicContact CB-CG 3.77Å
134V97.4Very high97.7Very high56 Ų5647.3 Ų47.334%0.33926%0.258SS..SBendtrans-83.3129.8-180-178.80000110.1A99 K131 R132 G136 A137A99-V134 HydrophobicContact CB-CB 3.67Å; A99-V134 HydrophobicContact CB-CG1 3.77Å; A99-V134 HydrophobicContact CB-CG2 4.12Å; K131-V134 HydrophobicContact CB-CG2 4Å; K131-V134 WeakPolarHBondContact O-CB 3.47Å; K131-V134 PolarHBondContact O-N 3.4Å; R132-V134 PolarHBondContact O-N 3.33Å; V134-G136 PolarHBondContact O-N 3.41Å; V134-A137 WeakPolarHBondContact O-CB 3.21Å; V134-A137 PolarHBondContact O-N 2.55Å
135P96.8Very high97.7Very high128 Ų12853.4 Ų53.483%0.83128%0.284SS*.THydrogen-bonded Turntrans-55.7131.1175.7-26.535.1000112.4A137P135-A137 VanDerWaalsContact C-N 3.34Å
136G95.3Very high97.7Very high69 Ų6958.6 Ų58.671%0.71130%0.303SS*.THydrogen-bonded Turntrans83.45.6-177.500000114.7V134V134-G136 PolarHBondContact O-N 3.41Å
137A97.8Very high97.7Very high22 Ų2258.6 Ų58.618%0.18230%0.303CS..  trans-62.6138.1169.700000111.3A98 A99 K131 V134 P135A98-A137 HydrophobicContact CB-CB 4.25Å; A98-A137 CarbonylContact O-C 3.55Å; A98-A137 WeakPolarHBondContact O-CA 3.31Å; A99-A137 HydrophobicContact CB-CB 4.13Å; K131-A137 WeakPolarHBondContact O-CB 3.49Å; V134-A137 WeakPolarHBondContact O-CB 3.21Å; V134-A137 PolarHBondContact O-N 2.55Å; P135-A137 VanDerWaalsContact C-N 3.34Å
138L97.8Very high97.6Very high5 Ų562.4 Ų62.43%0.02632%0.323CS..  trans-63.7137.1179.2-59.9178.2000111.4A98 I104 E142 L143 R146A98-L138 HydrophobicContact CB-CB 4.33Å; A98-L138 PolarHBondContact O-N 3Å; I104-L138 HydrophobicContact CD1-CD1 3.82Å; I104-L138 HydrophobicContact CG1-CD1 3.81Å; L138-E142 WeakPolarHBondContact CA-OE2 3.38Å; L138-E142 HydrophobicContact CB-CB 4.09Å; L138-E142 HydrophobicContact CD2-CB 4.09Å; L138-L143 HydrophobicContact CB-CD2 4.25Å; L138-L143 HydrophobicContact CB-CG 3.96Å; L138-L143 HydrophobicContact CD1-CD2 4.16Å; L138-R146 VanDerWaalsContact CD2-CZ 3.49Å
139D96.4Very high97.6Very high73 Ų7362.7 Ų62.739%0.3933%0.325SS..  trans-78.1176.3170.880.618.1000112.1K141 E142 L143D139-K141 VanDerWaalsContact C-N 3.3Å; D139-K141 PolarHBondContact O-N 3.04Å; D139-K141 WeakPolarHBondContact OD1-CA 3.42Å; D139-K141 WeakPolarHBondContact OD1-CB 3.34Å; D139-K141 PolarHBondContact OD1-N 2.98Å; D139-E142 PolarHBondContact N-OE2 3.15Å; D139-E142 PolarHBondContact O-N 3.46Å; D139-E142 PolarHBondContact OD1-N 3.28Å; D139-L143 WeakPolarHBondContact O-CB 3.26Å; D139-L143 WeakPolarHBondContact O-CD1 3.49Å; D139-L143 WeakPolarHBondContact O-CG 3.48Å; D139-L143 PolarHBondContact O-N 2.81Å
140E96Very high97.6Very high86 Ų8666.8 Ų66.840%0.40235%0.354SS..Hα-helixtrans-59.1-39.2-179.3-172-173.1136.400112.8L143 I144 C159E140-L143 PolarHBondContact O-N 3.1Å; E140-I144 HydrophobicContact CG-CD1 4.09Å; E140-I144 WeakPolarHBondContact O-CD1 3.43Å; E140-I144 VanDerWaalsContact O-CG1 3.24Å; E140-I144 WeakPolarHBondContact O-CG1 3.21Å; E140-I144 PolarHBondContact O-N 3.19Å; E140-C159 HydrophobicContact CG-CB 4.31Å; E140-C159 WeakPolarHBondContact CG-O 3.41Å
141K97.6Very high97.5Very high167 Ų16769.1 Ų69.173%0.72637%0.374SS*.Hα-helixtrans-70.7-44.2-177.8-66.3-179.3179.7177.70110.7D139 L143 I144 E145D139-K141 VanDerWaalsContact C-N 3.3Å; D139-K141 PolarHBondContact O-N 3.04Å; D139-K141 WeakPolarHBondContact OD1-CA 3.42Å; D139-K141 WeakPolarHBondContact OD1-CB 3.34Å; D139-K141 PolarHBondContact OD1-N 2.98Å; K141-L143 VanDerWaalsContact C-N 3.3Å; K141-L143 PolarHBondContact O-N 2.94Å; K141-I144 PolarHBondContact O-N 3.29Å; K141-E145 PolarHBondContact O-N 2.89Å
142E98Very high97.5Very high68 Ų6867.2 Ų67.232%0.31837%0.366SS..Hα-helixtrans-62.8-38.2176.4-67.1-179.5113.200111.6L138 D139 E145 R146L138-E142 WeakPolarHBondContact CA-OE2 3.38Å; L138-E142 HydrophobicContact CB-CB 4.09Å; L138-E142 HydrophobicContact CD2-CB 4.09Å; D139-E142 PolarHBondContact N-OE2 3.15Å; D139-E142 PolarHBondContact O-N 3.46Å; D139-E142 PolarHBondContact OD1-N 3.28Å; E142-E145 PolarHBondContact O-N 2.98Å; E142-R146 WeakPolarHBondContact O-CB 3.34Å; E142-R146 VanDerWaalsContact O-CG 3.32Å; E142-R146 WeakPolarHBondContact O-CG 3.32Å; E142-R146 PolarHBondContact O-N 3.4Å; E142-R146 IonicContact OE1-NH2 2.77Å
143L98.1Very high97.5Very high0 Ų069.7 Ų69.70%038%0.383CS..Hα-helixtrans-64.5-45.8174.1-76.4164000111.8V96 A98 I104 G129 L138 D139 E140 K141 E145 M147V96-L143 HydrophobicContact CG1-CD2 4.03Å; A98-L143 HydrophobicContact CB-CD1 4.28Å; I104-L143 HydrophobicContact CD1-CD2 4.2Å; G129-L143 VanDerWaalsContact CA-CD1 3.5Å; L138-L143 HydrophobicContact CB-CD2 4.25Å; L138-L143 HydrophobicContact CB-CG 3.96Å; L138-L143 HydrophobicContact CD1-CD2 4.16Å; D139-L143 WeakPolarHBondContact O-CB 3.26Å; D139-L143 WeakPolarHBondContact O-CD1 3.49Å; D139-L143 WeakPolarHBondContact O-CG 3.48Å; D139-L143 PolarHBondContact O-N 2.81Å; E140-L143 PolarHBondContact O-N 3.1Å; K141-L143 VanDerWaalsContact C-N 3.3Å; K141-L143 PolarHBondContact O-N 2.94Å; L143-E145 VanDerWaalsContact C-N 3.28Å; L143-E145 PolarHBondContact O-N 3Å; L143-M147 WeakPolarHBondContact O-CB 3.27Å; L143-M147 VanDerWaalsContact O-CG 3.29Å; L143-M147 WeakPolarHBondContact O-CG 3.41Å; L143-M147 PolarHBondContact O-N 3.27Å
144I98.4Very high97.5Very high54 Ų5470.7 Ų70.728%0.27739%0.388SS..Hα-helixtrans-56.1-45.8176.7-72.5163.3000110.7E140 K141 N148 L149 C159E140-I144 HydrophobicContact CG-CD1 4.09Å; E140-I144 WeakPolarHBondContact O-CD1 3.43Å; E140-I144 VanDerWaalsContact O-CG1 3.24Å; E140-I144 WeakPolarHBondContact O-CG1 3.21Å; E140-I144 PolarHBondContact O-N 3.19Å; K141-I144 PolarHBondContact O-N 3.29Å; I144-N148 PolarHBondContact O-N 3.12Å; I144-L149 HydrophobicContact CG1-CD1 4.1Å; I144-L149 HydrophobicContact CG2-CB 4.45Å; I144-L149 PolarHBondContact O-N 3.32Å; I144-C159 HydrophobicContact CD1-CB 4.35Å; I144-C159 HydrophobicContact CG1-CB 3.92Å
145E98.3Very high97.5Very high155 Ų15569.1 Ų69.172%0.72438%0.376SS*.Hα-helixtrans-68.2-55.9179.8-174.5177.1-176.100111.8K141 E142 L143 M147 N148K141-E145 PolarHBondContact O-N 2.89Å; E142-E145 PolarHBondContact O-N 2.98Å; L143-E145 VanDerWaalsContact C-N 3.28Å; L143-E145 PolarHBondContact O-N 3Å; E145-M147 VanDerWaalsContact C-N 3.35Å; E145-M147 PolarHBondContact O-N 2.91Å; E145-N148 WeakPolarHBondContact O-CA 3.42Å; E145-N148 PolarHBondContact O-N 3.15Å
146R98.2Very high97.5Very high109 Ų10967.8 Ų67.841%0.41136%0.359SS..Hα-helixtrans-70.3-29.3-173.6-65.7-169.8-168.6-1749.6113.5I104 K108 L138 E142 N148I104-R146 HydrophobicContact CG2-CB 3.74Å; K108-R146 WeakPolarHBondContact CD-O 3.36Å; L138-R146 VanDerWaalsContact CD2-CZ 3.49Å; E142-R146 WeakPolarHBondContact O-CB 3.34Å; E142-R146 VanDerWaalsContact O-CG 3.32Å; E142-R146 WeakPolarHBondContact O-CG 3.32Å; E142-R146 PolarHBondContact O-N 3.4Å; E142-R146 IonicContact OE1-NH2 2.77Å; R146-N148 VanDerWaalsContact C-N 3.26Å
147M98.5Very high97.7Very high0 Ų066.7 Ų66.70%034%0.336CS..THydrogen-bonded Turntrans-85.2-0.8173-61.7-74.6-66.900112.4Y94 V96 I104 K108 L111 H112 L143 E145 L149Y94-M147 HydrophobicContact CD1-CE 4.42Å; Y94-M147 HydrophobicContact CE1-CE 3.98Å; V96-M147 HydrophobicContact CG2-CE 3.79Å; V96-M147 HydrophobicContact CG2-SD 4.29Å; I104-M147 HydrophobicContact CG2-CG 4.48Å; I104-M147 HydrophobicContact CG2-SD 4Å; K108-M147 HydrophobicContact CB-CE 4.42Å; K108-M147 HydrophobicContact CB-SD 3.99Å; K108-M147 WeakPolarHBondContact CG-O 3.44Å; L111-M147 HydrophobicContact CB-CE 4.3Å; L111-M147 HydrophobicContact CD2-CE 3.87Å; H112-M147 PolarHBondContact NE2-O 3.38Å; L143-M147 WeakPolarHBondContact O-CB 3.27Å; L143-M147 VanDerWaalsContact O-CG 3.29Å; L143-M147 WeakPolarHBondContact O-CG 3.41Å; L143-M147 PolarHBondContact O-N 3.27Å; E145-M147 VanDerWaalsContact C-N 3.35Å; E145-M147 PolarHBondContact O-N 2.91Å; M147-L149 VanDerWaalsContact C-N 3.27Å; M147-L149 HydrophobicContact CB-CD2 3.52Å; M147-L149 HydrophobicContact CB-CG 3.85Å; M147-L149 PolarHBondContact O-N 3.37Å
148N98.3Very high97.7Very high79 Ų7966.9 Ų66.942%0.42234%0.336SS..THydrogen-bonded Turntrans49.946.5-178.4-168.629.6000112.4K108 H112 I144 E145 R146 S150 A151K108-N148 HydrophobicContact CD-CB 4.23Å; H112-N148 PolarHBondContact CE1-O 2.99Å; I144-N148 PolarHBondContact O-N 3.12Å; E145-N148 WeakPolarHBondContact O-CA 3.42Å; E145-N148 PolarHBondContact O-N 3.15Å; R146-N148 VanDerWaalsContact C-N 3.26Å; N148-S150 PolarHBondContact O-N 3.22Å; N148-A151 WeakPolarHBondContact ND2-CB 3.43Å; N148-A151 PolarHBondContact O-N 3.13Å
149L98.4Very high97.7Very high7 Ų767 Ų674%0.03734%0.337CS..G310 helixtrans-68.3-27.9-174.1-58.1-172.1000111.9L111 V127 I144 M147 A151 I152 I157 C159L111-L149 HydrophobicContact CD2-CD2 3.74Å; V127-L149 HydrophobicContact CB-CD1 4.17Å; V127-L149 HydrophobicContact CG1-CD1 4.37Å; V127-L149 HydrophobicContact CG2-CD1 3.98Å; V127-L149 HydrophobicContact CG2-CD2 4.11Å; I144-L149 HydrophobicContact CG1-CD1 4.1Å; I144-L149 HydrophobicContact CG2-CB 4.45Å; I144-L149 PolarHBondContact O-N 3.32Å; M147-L149 VanDerWaalsContact C-N 3.27Å; M147-L149 HydrophobicContact CB-CD2 3.52Å; M147-L149 HydrophobicContact CB-CG 3.85Å; M147-L149 PolarHBondContact O-N 3.37Å; L149-A151 PolarHBondContact O-N 3.38Å; L149-I152 HydrophobicContact CD2-CD1 4.3Å; L149-I152 WeakPolarHBondContact O-CB 3.27Å; L149-I152 PolarHBondContact O-N 2.98Å; L149-I152 VanDerWaalsContact O-N 3.07Å; L149-I157 HydrophobicContact CB-CD1 4.27Å; L149-I157 HydrophobicContact CD2-CD1 3.99Å; L149-I157 HydrophobicContact CG-CD1 4.5Å; L149-C159 HydrophobicContact CD1-CB 3.82Å
150S97.3Very high97.8Very high85 Ų8565.7 Ų65.759%0.59433%0.327SS*.G310 helixtrans-65-17.9177.6-52.60000114.3N148 I152N148-S150 PolarHBondContact O-N 3.22Å; S150-I152 VanDerWaalsContact C-N 3.3Å
151A97.8Very high97.9Very high55 Ų5561.8 Ų61.846%0.45531%0.309SS..G310 helixtrans-76.5-17.9174.300000112.9N148 L149 Q153N148-A151 WeakPolarHBondContact ND2-CB 3.43Å; N148-A151 PolarHBondContact O-N 3.13Å; L149-A151 PolarHBondContact O-N 3.38Å; A151-Q153 PolarHBondContact O-N 2.96Å
152I98Very high98Very high16 Ų1653.9 Ų53.98%0.08228%0.275CS..  trans-86.3102.2178.5-60159.5000107.9L111 L115 L149 S150 R155 I157L111-I152 HydrophobicContact CD2-CD1 4.39Å; L115-I152 HydrophobicContact CD1-CD1 3.56Å; L115-I152 HydrophobicContact CD1-CG1 4.15Å; L115-I152 HydrophobicContact CD1-CG2 4.06Å; L149-I152 HydrophobicContact CD2-CD1 4.3Å; L149-I152 WeakPolarHBondContact O-CB 3.27Å; L149-I152 PolarHBondContact O-N 2.98Å; L149-I152 VanDerWaalsContact O-N 3.07Å; S150-I152 VanDerWaalsContact C-N 3.3Å; I152-R155 HydrophobicContact CG2-CG 3.73Å; I152-I157 HydrophobicContact CB-CD1 4.29Å; I152-I157 HydrophobicContact CD1-CD1 3.56Å; I152-I157 HydrophobicContact CG2-CD1 4.3Å
153Q96.7Very high97.9Very high172 Ų17250.7 Ų50.780%0.80426%0.26SS*.  trans-117.1-2.5-175.6-60.6-168.2-1200113.8A151 R155A151-Q153 PolarHBondContact O-N 2.96Å; Q153-R155 VanDerWaalsContact C-N 3.34Å
154D96.2Very high97.8Very high79 Ų7950.8 Ų50.842%0.42226%0.261SS..SBendtrans-891-175.274.4-38.4000113.8
155R97.6Very high97.6Very high22 Ų2253 Ų538%0.08327%0.268CS..SBendtrans-158.8164.1-175.864.9-165.468.4-146.24.2111.2L115 L120 I123 I152 Q153L115-R155 PolarHBondContact O-NH2 3.23Å; L120-R155 PolarHBondContact O-NH1 3.36Å; I123-R155 WeakPolarHBondContact O-CD 3.32Å; I123-R155 PolarHBondContact O-NH1 2.83Å; I152-R155 HydrophobicContact CG2-CG 3.73Å; Q153-R155 VanDerWaalsContact C-N 3.34Å
156E97.6Very high97.5Very high100 Ų10051.3 Ų51.347%0.46726%0.26SS..  trans-68131.4166-179174.2176.400110.1P124 V125 W176 H180P124-E156 WeakPolarHBondContact CA-O 3.41Å; P124-E156 HydrophobicContact CB-CB 4.24Å; V125-E156 PolarHBondContact N-O 2.7Å; E156-W176 HydrophobicContact CG-CZ2 4.46Å; E156-H180 VanDerWaalsContact CD-NE2 3.33Å; E156-H180 IonicContact OE1-CE1 2.83Å; E156-H180 IonicContact OE1-NE2 2.62Å; E156-H180 PolarHBondContact OE1-NE2 2.84Å; E156-H180 IonicContact OE2-NE2 3.53Å; E156-H180 PolarHBondContact OE2-NE2 2.66Å; E156-H180 VanDerWaalsContact OE2-NE2 3.15Å
157I98.1Very high97.3Very high46 Ų4651.3 Ų51.324%0.23626%0.264CS..EExtended strand (participates in β ladder)trans-134.4133.2174.8-168.8161.4000110.2V125 V127 L149 I152V125-I157 HydrophobicContact CB-CD1 4.31Å; V125-I157 HydrophobicContact CB-CG1 4.1Å; V125-I157 HydrophobicContact CG1-CD1 4.24Å; V125-I157 HydrophobicContact CG1-CG1 4.29Å; V125-I157 WeakPolarHBondContact O-CA 3.49Å; V127-I157 HydrophobicContact CG2-CD1 4.21Å; V127-I157 HydrophobicContact CG2-CG1 4.37Å; L149-I157 HydrophobicContact CB-CD1 4.27Å; L149-I157 HydrophobicContact CD2-CD1 3.99Å; L149-I157 HydrophobicContact CG-CD1 4.5Å; I152-I157 HydrophobicContact CB-CD1 4.29Å; I152-I157 HydrophobicContact CD1-CD1 3.56Å; I152-I157 HydrophobicContact CG2-CD1 4.3Å
158C98.1Very high97.2Very high27 Ų2754.2 Ų54.218%0.18228%0.279CS..EExtended strand (participates in β ladder)trans-128.8150.6176.6-174.60000109.4V125 L126 V127 W176V125-C158 PolarHBondContact O-N 2.88Å; L126-C158 HydrophobicContact CD1-CB 3.87Å; V127-C158 PolarHBondContact N-O 3.05Å; C158-W176 HydrophobicContact CB-CZ2 3.97Å
159C98.6Very high97.1Very high6 Ų652.3 Ų52.34%0.04127%0.269CS..EExtended strand (participates in β ladder)trans-130.8133177.2-170.40000110V127 E140 I144 L149V127-C159 HydrophobicContact CB-CB 4.31Å; V127-C159 CarbonylContact O-C 3.56Å; V127-C159 VanDerWaalsContact O-CA 3.26Å; V127-C159 WeakPolarHBondContact O-CA 3.24Å; E140-C159 HydrophobicContact CG-CB 4.31Å; E140-C159 WeakPolarHBondContact CG-O 3.41Å; I144-C159 HydrophobicContact CD1-CB 4.35Å; I144-C159 HydrophobicContact CG1-CB 3.92Å; L149-C159 HydrophobicContact CD1-CB 3.82Å
160Y98.5Very high96.9Very high46 Ų4652.6 Ų52.618%0.1827%0.27CS..EExtended strand (participates in β ladder)trans-128.2142.9169.9-64.1-37.5000110.7L126 V127 L128 G129 I172 W176L126-Y160 HydrophobicContact CD1-CD2 3.91Å; L126-Y160 HydrophobicContact CD1-CE2 4.08Å; V127-Y160 PolarHBondContact O-N 2.87Å; L128-Y160 WeakPolarHBondContact CA-O 3.38Å; L128-Y160 HydrophobicContact CD2-CD2 4.38Å; G129-Y160 PolarHBondContact N-O 3.41Å; Y160-I172 HydrophobicContact CD1-CD1 4.09Å; Y160-I172 HydrophobicContact CD2-CD1 4.22Å; Y160-I172 HydrophobicContact CD2-CG1 4.24Å; Y160-I172 HydrophobicContact CE1-CD1 4.24Å; Y160-I172 HydrophobicContact CE2-CD1 4.35Å; Y160-I172 HydrophobicContact CE2-CG1 4.28Å; Y160-I172 HydrophobicContact CG-CD1 4.11Å; Y160-W176 HydrophobicContact CE2-CB 4.06Å; Y160-W176 HydrophobicContact CE2-CG 4.34Å
161S98.2Very high96.6Very high5 Ų552.8 Ų52.84%0.03527%0.265CS..EExtended strand (participates in β ladder)trans-88.5125.6164.9-1720000109.2G129 R132 N169G129-S161 CarbonylContact O-C 3.6Å; G129-S161 WeakPolarHBondContact O-CA 3.31Å; R132-S161 VanDerWaalsContact CD-OG 3.28Å; R132-S161 WeakPolarHBondContact CD-OG 3.48Å; R132-S161 WeakPolarHBondContact CG-OG 3.36Å; S161-N169 PolarHBondContact O-ND2 3.02Å
162I98.3Very high96.4Very high0 Ų052.5 Ų52.50%026%0.255CS..  trans-133.3160.7-173.171.3166.9000111.8F36 M95 L128 G129 N130 K131 R132 N169 I170F36-I162 HydrophobicContact CD2-CD1 4.06Å; F36-I162 HydrophobicContact CE2-CD1 4.3Å; M95-I162 HydrophobicContact CE-CD1 4.41Å; M95-I162 HydrophobicContact SD-CD1 4.41Å; L128-I162 HydrophobicContact CB-CD1 3.97Å; L128-I162 HydrophobicContact CB-CG1 4.38Å; L128-I162 HydrophobicContact CD1-CD1 4Å; L128-I162 HydrophobicContact CD2-CD1 4.47Å; L128-I162 HydrophobicContact CD2-CG2 4.12Å; L128-I162 HydrophobicContact CG-CD1 4.37Å; G129-I162 PolarHBondContact O-N 3.33Å; N130-I162 CarbonylContact C-O 3.58Å; N130-I162 WeakPolarHBondContact CA-O 3.05Å; N130-I162 HydrophobicContact CB-CD1 4.35Å; N130-I162 HydrophobicContact CB-CG1 4Å; K131-I162 PolarHBondContact N-O 3.28Å; R132-I162 VanDerWaalsContact CB-O 3.29Å; R132-I162 WeakPolarHBondContact CB-O 3.46Å; R132-I162 PolarHBondContact N-O 3.41Å; R132-I162 VanDerWaalsContact N-O 3.09Å; I162-N169 HydrophobicContact CB-CB 4.41Å; I162-N169 HydrophobicContact CG2-CB 3.85Å; I162-I170 HydrophobicContact CB-CD1 4.48Å; I162-I170 HydrophobicContact CD1-CD1 4.02Å
163S97.7Very high96.2Very high2 Ų251.8 Ų51.81%0.01425%0.251CS..BIsolated β-bridgetrans-125.8114.8162.4176.40000109.8D133 K165 E166 K167 D168D133-S163 VanDerWaalsContact CG-OG 3.29Å; D133-S163 VanDerWaalsContact OD1-CB 3.31Å; D133-S163 WeakPolarHBondContact OD1-CB 3.32Å; D133-S163 PolarHBondContact OD1-OG 3.43Å; S163-K165 VanDerWaalsContact C-N 3.26Å; S163-K165 PolarHBondContact O-N 3.14Å; S163-K165 PolarHBondContact OG-N 3.18Å; S163-E166 PolarHBondContact OG-N 3.04Å; S163-K167 CarbonylContact O-C 3.51Å; S163-K167 WeakPolarHBondContact O-CA 3.37Å; S163-K167 PolarHBondContact O-N 2.79Å; S163-D168 PolarHBondContact N-O 3.34Å; S163-D168 VanDerWaalsContact N-O 3.11Å; S163-D168 PolarHBondContact O-N 3.45Å
164C95.6Very high95.9Very high1 Ų144.1 Ų44.11%0.00722%0.216CC..THydrogen-bonded Turntrans-67-30.6169.7-64.60000112.2T35 V39 N130T35-C164 HydrophobicContact CG2-CB 3.52Å; V39-C164 HydrophobicContact CG2-CB 4.33Å; V39-C164 WeakPolarHBondContact CG2-O 3.47Å; N130-C164 PolarHBondContact OD1-N 3.48Å; N130-C164 PolarHBondContact OD1-SG 3.39Å
165K94.1Very high95.6Very high100 Ų10046.4 Ų46.444%0.43522%0.224SC..THydrogen-bonded Turntrans-69-52.9-178.6-178.3-175.3171.4-174.60110.8F45 D133 S163 K167F45-K165 HydrophobicContact CE1-CG 4.23Å; F45-K165 HydrophobicContact CE2-CB 4.41Å; F45-K165 HydrophobicContact CZ-CB 4.46Å; F45-K165 HydrophobicContact CZ-CG 4.31Å; D133-K165 WeakPolarHBondContact OD2-CD 3.49Å; S163-K165 VanDerWaalsContact C-N 3.26Å; S163-K165 PolarHBondContact O-N 3.14Å; S163-K165 PolarHBondContact OG-N 3.18Å; K165-K167 VanDerWaalsContact C-N 3.31Å
166E95.1Very high95.4Very high120 Ų12046.1 Ų46.156%0.56122%0.223SC*.THydrogen-bonded Turntrans-87.8-3-179-57.2-54.6144.900112.9D133 S163 D168D133-E166 HydrophobicContact CB-CG 3.77Å; S163-E166 PolarHBondContact OG-N 3.04Å; E166-D168 PolarHBondContact O-N 3.12Å
167K94.7Very high95.1Very high110 Ų11041.5 Ų41.548%0.47820%0.201SC..THydrogen-bonded Turntrans59.726.6-176-54.7173.1179.1173.70113.7V39 G43 S163 K165 I170V39-K167 HydrophobicContact CG1-CG 4.15Å; G43-K167 VanDerWaalsContact O-CE 3.29Å; G43-K167 WeakPolarHBondContact O-CE 3.33Å; G43-K167 PolarHBondContact O-NZ 3.3Å; S163-K167 CarbonylContact O-C 3.51Å; S163-K167 WeakPolarHBondContact O-CA 3.37Å; S163-K167 PolarHBondContact O-N 2.79Å; K165-K167 VanDerWaalsContact C-N 3.31Å; K167-I170 HydrophobicContact CB-CG1 4.36Å
168D96.3Very high94.5Very high60 Ų6041 Ų4132%0.32120%0.199SC..BIsolated β-bridgetrans-71.7133.9175.9-172.327.4000111R132 S163 E166 I170R132-D168 IonicContact CZ-OD2 3.21Å; R132-D168 IonicContact NH1-OD2 3.15Å; R132-D168 PolarHBondContact NH1-OD2 2.83Å; S163-D168 PolarHBondContact N-O 3.34Å; S163-D168 VanDerWaalsContact N-O 3.11Å; S163-D168 PolarHBondContact O-N 3.45Å; E166-D168 PolarHBondContact O-N 3.12Å; D168-I170 PolarHBondContact O-N 2.79Å; D168-I170 VanDerWaalsContact O-N 3.09Å
169N96.9Very high94Very high40 Ų4046 Ų4621%0.21422%0.219CC..THydrogen-bonded Turntrans56.715.6179.9-70-27.1000116.6R132 S161 I162 D171 I172 T173R132-N169 PolarHBondContact NH1-ND2 2.88Å; S161-N169 PolarHBondContact O-ND2 3.02Å; I162-N169 HydrophobicContact CB-CB 4.41Å; I162-N169 HydrophobicContact CG2-CB 3.85Å; N169-D171 VanDerWaalsContact C-N 3.3Å; N169-I172 HydrophobicContact CB-CD1 3.78Å; N169-I172 HydrophobicContact CB-CG1 3.81Å; N169-I172 VanDerWaalsContact O-CG1 3.25Å; N169-I172 WeakPolarHBondContact O-CG1 3.4Å; N169-T173 WeakPolarHBondContact O-CB 2.88Å; N169-T173 PolarHBondContact O-N 3.31Å; N169-T173 PolarHBondContact O-OG1 3.16Å
170I93.8Very high93.5Very high12 Ų1246.3 Ų46.36%0.06222%0.22CC..Hα-helixtrans-69.6-31.7174.8-58.1-58.9000111.2F36 V39 I40 I162 K167 D168 L174F36-I170 HydrophobicContact CD2-CD1 4.12Å; F36-I170 HydrophobicContact CE2-CD1 4.13Å; V39-I170 HydrophobicContact CG1-CG1 4.32Å; V39-I170 HydrophobicContact CG1-CG2 4.24Å; I40-I170 HydrophobicContact CG2-CG2 3.94Å; I162-I170 HydrophobicContact CB-CD1 4.48Å; I162-I170 HydrophobicContact CD1-CD1 4.02Å; K167-I170 HydrophobicContact CB-CG1 4.36Å; D168-I170 PolarHBondContact O-N 2.79Å; D168-I170 VanDerWaalsContact O-N 3.09Å; I170-L174 HydrophobicContact CG2-CD1 4.24Å; I170-L174 VanDerWaalsContact O-CG 3.31Å; I170-L174 WeakPolarHBondContact O-CG 3.4Å; I170-L174 PolarHBondContact O-N 3.34Å
171D90.3Very high92.6Very high90 Ų9044.5 Ų44.548%0.48121%0.214SC..Hα-helixtrans-66.1-50.6177.461.7-25.2000112.6N169 T173 L174 Q175N169-D171 VanDerWaalsContact C-N 3.3Å; D171-T173 VanDerWaalsContact C-N 3.26Å; D171-T173 PolarHBondContact O-N 2.97Å; D171-L174 PolarHBondContact O-N 3.14Å; D171-Q175 WeakPolarHBondContact O-CG 3.3Å; D171-Q175 PolarHBondContact O-N 2.62Å
172I93.9Very high91Very high49 Ų4950.9 Ų50.925%0.25124%0.238SC..Hα-helixtrans-64.5-33.7177.164.7169.4000111.5Y160 N169 Q175 W176Y160-I172 HydrophobicContact CD1-CD1 4.09Å; Y160-I172 HydrophobicContact CD2-CD1 4.22Å; Y160-I172 HydrophobicContact CD2-CG1 4.24Å; Y160-I172 HydrophobicContact CE1-CD1 4.24Å; Y160-I172 HydrophobicContact CE2-CD1 4.35Å; Y160-I172 HydrophobicContact CE2-CG1 4.28Å; Y160-I172 HydrophobicContact CG-CD1 4.11Å; N169-I172 HydrophobicContact CB-CD1 3.78Å; N169-I172 HydrophobicContact CB-CG1 3.81Å; N169-I172 VanDerWaalsContact O-CG1 3.25Å; N169-I172 WeakPolarHBondContact O-CG1 3.4Å; I172-Q175 PolarHBondContact O-N 2.95Å; I172-W176 WeakPolarHBondContact O-CB 3.24Å; I172-W176 PolarHBondContact O-N 3.29Å
173T94.7Very high89Confident0 Ų055.3 Ų55.30%027%0.265CS..Hα-helixtrans-61-49.2173.2-630000110.6F36 L126 L128 N169 D171 Q175 W176 L177F36-T173 HydrophobicContact CE2-CG2 3.85Å; F36-T173 HydrophobicContact CZ-CG2 3.67Å; L126-T173 HydrophobicContact CD2-CG2 3.93Å; L128-T173 HydrophobicContact CD1-CG2 3.83Å; L128-T173 HydrophobicContact CD2-CG2 3.99Å; N169-T173 WeakPolarHBondContact O-CB 2.88Å; N169-T173 PolarHBondContact O-N 3.31Å; N169-T173 PolarHBondContact O-OG1 3.16Å; D171-T173 VanDerWaalsContact C-N 3.26Å; D171-T173 PolarHBondContact O-N 2.97Å; T173-Q175 PolarHBondContact O-N 3.5Å; T173-W176 PolarHBondContact O-N 3.04Å; T173-L177 HydrophobicContact CG2-CD1 4.33Å; T173-L177 WeakPolarHBondContact O-CG 3.2Å; T173-L177 PolarHBondContact O-N 2.86Å; T173-L177 VanDerWaalsContact O-N 3.07Å
174L90.5Very high86.8Confident11 Ų1161.2 Ų61.26%0.05829%0.287CS..Hα-helixtrans-66.5-36.4178.1-71.5173.1000112.4I40 K62 I170 D171 L177 I178I40-L174 HydrophobicContact CB-CD2 4.29Å; I40-L174 HydrophobicContact CG2-CD1 4.34Å; I40-L174 HydrophobicContact CG2-CD2 4.03Å; I40-L174 HydrophobicContact CG2-CG 4.38Å; K62-L174 HydrophobicContact CD-CD1 4.11Å; I170-L174 HydrophobicContact CG2-CD1 4.24Å; I170-L174 VanDerWaalsContact O-CG 3.31Å; I170-L174 WeakPolarHBondContact O-CG 3.4Å; I170-L174 PolarHBondContact O-N 3.34Å; D171-L174 PolarHBondContact O-N 3.14Å; L174-L177 HydrophobicContact CD2-CD1 4.49Å; L174-L177 PolarHBondContact O-N 2.98Å; L174-I178 WeakPolarHBondContact O-CB 3.24Å; L174-I178 WeakPolarHBondContact O-CD1 3.44Å; L174-I178 VanDerWaalsContact O-CG1 3.22Å; L174-I178 WeakPolarHBondContact O-CG1 3.48Å; L174-I178 PolarHBondContact O-N 3.43Å
175Q89.8Confident84.5Confident127 Ų12766.9 Ų66.959%0.59331%0.311SS*.Hα-helixtrans-61.7-46.6175.1-73173.89.600111.3D171 I172 T173 L177 I178 Q179D171-Q175 WeakPolarHBondContact O-CG 3.3Å; D171-Q175 PolarHBondContact O-N 2.62Å; I172-Q175 PolarHBondContact O-N 2.95Å; T173-Q175 PolarHBondContact O-N 3.5Å; Q175-L177 PolarHBondContact O-N 2.72Å; Q175-I178 PolarHBondContact O-N 2.83Å; Q175-Q179 PolarHBondContact O-N 3.14Å
176W92.6Very high81.7Confident17 Ų1768.1 Ų68.16%0.06433%0.327CS..Hα-helixtrans-60.6-45.2177.4-169.595.8000111.1V91 P124 L126 E156 C158 Y160 I172 T173 I178 Q179 H180V91-W176 HydrophobicContact CB-CZ3 4.27Å; V91-W176 HydrophobicContact CG1-CH2 4.11Å; V91-W176 HydrophobicContact CG1-CZ3 3.55Å; V91-W176 HydrophobicContact CG2-CH2 4.16Å; V91-W176 HydrophobicContact CG2-CZ3 3.69Å; P124-W176 HydrophobicContact CB-CH2 4Å; L126-W176 HydrophobicContact CB-CE3 4.04Å; L126-W176 HydrophobicContact CB-CH2 4.12Å; L126-W176 HydrophobicContact CB-CZ3 3.76Å; L126-W176 HydrophobicContact CD1-CD2 4.23Å; L126-W176 HydrophobicContact CD1-CE3 4.34Å; L126-W176 HydrophobicContact CD2-CD2 4.33Å; L126-W176 HydrophobicContact CD2-CE3 3.8Å; L126-W176 HydrophobicContact CD2-CZ3 4.32Å; L126-W176 HydrophobicContact CG-CE3 4.28Å; L126-W176 HydrophobicContact CG-CZ3 4.49Å; E156-W176 HydrophobicContact CG-CZ2 4.46Å; C158-W176 HydrophobicContact CB-CZ2 3.97Å; Y160-W176 HydrophobicContact CE2-CB 4.06Å; Y160-W176 HydrophobicContact CE2-CG 4.34Å; I172-W176 WeakPolarHBondContact O-CB 3.24Å; I172-W176 PolarHBondContact O-N 3.29Å; T173-W176 PolarHBondContact O-N 3.04Å; W176-I178 PolarHBondContact O-N 3.14Å; W176-Q179 PolarHBondContact O-N 3.22Å; W176-H180 AromaticContact CD2-CE1 3.61Å; W176-H180 AromaticContact CD2-ND1 3.56Å; W176-H180 AromaticContact CE2-CE1 3.17Å; W176-H180 AromaticContact CE2-ND1 3.62Å; W176-H180 AromaticContact CE2-NE2 3.92Å; W176-H180 AromaticContact CE3-ND1 3.62Å; W176-H180 AromaticContact CH2-CE1 3.72Å; W176-H180 AromaticContact CH2-ND1 3.85Å; W176-H180 AromaticContact CH2-NE2 3.83Å; W176-H180 AromaticContact CZ2-CE1 3.26Å; W176-H180 WeakPolarHBondContact CZ2-CE1 3.23Å; W176-H180 AromaticContact CZ2-ND1 3.79Å; W176-H180 AromaticContact CZ2-NE2 3.52Å; W176-H180 AromaticContact CZ3-CG 3.97Å; W176-H180 AromaticContact CZ3-ND1 3.73Å; W176-H180 AromaticContact NE1-CE1 3.5Å; W176-H180 PolarHBondContact O-N 3.46Å; W176-H180 PolarHBondContact O-ND1 2.64Å
177L90.9Very high78.7Confident2 Ų268.6 Ų68.61%0.0134%0.339CS..Hα-helixtrans-61.1-44.9176.7-67.5172.4000112.3M21 L23 V91 V93 L126 T173 L174 Q175 Q179 H180 S181M21-L177 WeakPolarHBondContact CE-O 3.15Å; M21-L177 HydrophobicContact SD-CB 4.37Å; L23-L177 HydrophobicContact CD1-CD1 4.01Å; L23-L177 HydrophobicContact CD1-CD2 4.05Å; L23-L177 HydrophobicContact CD1-CG 4.49Å; L23-L177 HydrophobicContact CD2-CD2 4.01Å; V91-L177 HydrophobicContact CB-CD2 4.34Å; V91-L177 HydrophobicContact CG1-CD2 3.89Å; V93-L177 HydrophobicContact CG2-CD2 3.88Å; L126-L177 HydrophobicContact CD2-CD2 4.17Å; L126-L177 HydrophobicContact CD2-CG 4.3Å; T173-L177 HydrophobicContact CG2-CD1 4.33Å; T173-L177 WeakPolarHBondContact O-CG 3.2Å; T173-L177 PolarHBondContact O-N 2.86Å; T173-L177 VanDerWaalsContact O-N 3.07Å; L174-L177 HydrophobicContact CD2-CD1 4.49Å; L174-L177 PolarHBondContact O-N 2.98Å; Q175-L177 PolarHBondContact O-N 2.72Å; L177-Q179 VanDerWaalsContact C-N 3.31Å; L177-Q179 PolarHBondContact O-N 3.07Å; L177-H180 PolarHBondContact O-N 3.18Å; L177-H180 VanDerWaalsContact O-N 3.12Å; L177-S181 PolarHBondContact O-N 3.3Å
178I86.1Confident75.7Confident37 Ų3773.4 Ų73.419%0.1938%0.377CS..Hα-helixtrans-64.8-34.5178.8-71.2164.8000111.7V65 L174 Q175 W176 H180 S181V65-I178 HydrophobicContact CG2-CG1 4.38Å; V65-I178 HydrophobicContact CG2-CG2 4.08Å; L174-I178 WeakPolarHBondContact O-CB 3.24Å; L174-I178 WeakPolarHBondContact O-CD1 3.44Å; L174-I178 VanDerWaalsContact O-CG1 3.22Å; L174-I178 WeakPolarHBondContact O-CG1 3.48Å; L174-I178 PolarHBondContact O-N 3.43Å; Q175-I178 PolarHBondContact O-N 2.83Å; W176-I178 PolarHBondContact O-N 3.14Å; I178-H180 PolarHBondContact O-N 3.16Å; I178-S181 PolarHBondContact O-N 2.78Å; I178-S181 PolarHBondContact O-OG 2.94Å
179Q87.5Confident74.7Confident131 Ų13174.1 Ų74.161%0.61238%0.38SS*.Hα-helixtrans-62.6-35.8175-176.9173.3-9.800111.5Q175 W176 L177 R182Q175-Q179 PolarHBondContact O-N 3.14Å; W176-Q179 PolarHBondContact O-N 3.22Å; L177-Q179 VanDerWaalsContact C-N 3.31Å; L177-Q179 PolarHBondContact O-N 3.07Å; Q179-R182 PolarHBondContact O-N 2.9Å
180H88.4Confident73.5Confident13 Ų1375.8 Ų75.86%0.0639%0.389CS..Hα-helixtrans-82.5-6.5180-7079.6000114.4M21 V91 E156 W176 L177 I178 R182 T183M21-H180 HydrophobicContact CE-CB 4.3Å; V91-H180 HydrophobicContact CG2-CB 3.63Å; E156-H180 VanDerWaalsContact CD-NE2 3.33Å; E156-H180 IonicContact OE1-CE1 2.83Å; E156-H180 IonicContact OE1-NE2 2.62Å; E156-H180 PolarHBondContact OE1-NE2 2.84Å; E156-H180 IonicContact OE2-NE2 3.53Å; E156-H180 PolarHBondContact OE2-NE2 2.66Å; E156-H180 VanDerWaalsContact OE2-NE2 3.15Å; W176-H180 AromaticContact CD2-CE1 3.61Å; W176-H180 AromaticContact CD2-ND1 3.56Å; W176-H180 AromaticContact CE2-CE1 3.17Å; W176-H180 AromaticContact CE2-ND1 3.62Å; W176-H180 AromaticContact CE2-NE2 3.92Å; W176-H180 AromaticContact CE3-ND1 3.62Å; W176-H180 AromaticContact CH2-CE1 3.72Å; W176-H180 AromaticContact CH2-ND1 3.85Å; W176-H180 AromaticContact CH2-NE2 3.83Å; W176-H180 AromaticContact CZ2-CE1 3.26Å; W176-H180 WeakPolarHBondContact CZ2-CE1 3.23Å; W176-H180 AromaticContact CZ2-ND1 3.79Å; W176-H180 AromaticContact CZ2-NE2 3.52Å; W176-H180 AromaticContact CZ3-CG 3.97Å; W176-H180 AromaticContact CZ3-ND1 3.73Å; W176-H180 AromaticContact NE1-CE1 3.5Å; W176-H180 PolarHBondContact O-N 3.46Å; W176-H180 PolarHBondContact O-ND1 2.64Å; L177-H180 PolarHBondContact O-N 3.18Å; L177-H180 VanDerWaalsContact O-N 3.12Å; I178-H180 PolarHBondContact O-N 3.16Å; H180-R182 VanDerWaalsContact C-N 3.28Å; H180-T183 PolarHBondContact O-OG1 3.41Å
181S78.8Confident72.4Confident8 Ų879.4 Ų79.46%0.05641%0.407CS..Hα-helixtrans-72.8-24.4169.572.60000112.6E19 L177 I178E19-S181 PolarHBondContact OE2-OG 3.24Å; L177-S181 PolarHBondContact O-N 3.3Å; I178-S181 PolarHBondContact O-N 2.78Å; I178-S181 PolarHBondContact O-OG 2.94Å
182R64.6Low71.3Confident139 Ų13978.8 Ų78.853%0.52540%0.403SS..Hα-helixtrans-86.8-31.8-172-66.7174.5179.7177.21.1113.4E19 Q179 H180 R184 K185E19-R182 WeakPolarHBondContact OE2-CG 3.46Å; Q179-R182 PolarHBondContact O-N 2.9Å; H180-R182 VanDerWaalsContact C-N 3.28Å; R182-R184 VanDerWaalsContact C-N 3.27Å; R182-R184 PolarHBondContact O-N 3.14Å; R182-K185 PolarHBondContact O-N 3.44Å
183T56.3Low69.9Low92 Ų9280.6 Ų80.656%0.56441%0.412SS*.G310 helixtrans-69.5-17.3-170.2170000114.6H180 K185 T186H180-T183 PolarHBondContact O-OG1 3.41Å; T183-K185 PolarHBondContact O-N 3.41Å; T183-T186 PolarHBondContact O-OG1 3.34Å
184R51.6Low68.2Low127 Ų12786 Ų8648%0.47944%0.44SS..G310 helixtrans-78.3-11-179.8-105.8-176.3177177.40.9115.7G88 V89 S90 R182 T186G88-R184 PolarHBondContact O-NH1 3.06Å; G88-R184 PolarHBondContact O-NH2 3.3Å; V89-R184 VanDerWaalsContact O-CZ 3.3Å; V89-R184 PolarHBondContact O-NH1 3.08Å; V89-R184 PolarHBondContact O-NH2 3.24Å; S90-R184 PolarHBondContact OG-NH1 2.9Å; R182-R184 VanDerWaalsContact C-N 3.27Å; R182-R184 PolarHBondContact O-N 3.14Å; R184-T186 PolarHBondContact O-N 3.33Å
185K47.1Very low66.7Low120 Ų12091.4 Ų91.452%0.52247%0.467SS..G310 helixtrans-83-3-174.1-73.8-178.9-178.7163.20115.2E19 R182 T183E19-K185 IonicContact OE1-NZ 2.69Å; E19-K185 PolarHBondContact OE1-NZ 3.37Å; R182-K185 PolarHBondContact O-N 3.44Å; T183-K185 PolarHBondContact O-N 3.41Å
186T35.7Very low64.9Low125 Ų12588.6 Ų88.677%0.76746%0.457SS*.G310 helixtrans-98.911.6-172.225.20000116.4T183 R184T183-T186 PolarHBondContact O-OG1 3.34Å; R184-T186 PolarHBondContact O-N 3.33Å
187T32.2Very low62.6Low131 Ų13194.6 Ų94.680%0.80449%0.49SS*.  trans-12073.2175.3-34.40000110.8
188T31.6Very low60Low210 Ų210103 Ų103100%1.28853%0.533SS*.  trans-147.30156.20.20000108.9

Retrieved 188 of 188 residues in 841.5 ms (Link to these results)

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