A0A6J2PZB4_COTGO Loading...

ADP-ribosylation factor-like protein 8A isoform X1

AlphaFold DB , UniProt , Accession A0A6J2PZB4, Species COTGO (Cottoperca gobio, Frogmouth), Gene LOC115010827, Length 187 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
1M55.1Low71.1Confident198 Ų198117.5 Ų117.598%0.97560%0.598SS**  0-53.10-138.4-179.7-71.400111.8A3 L4 I5M1-A3 PolarHBondContact O-N 3.3Å; M1-L4 PolarHBondContact O-N 3.23Å; M1-I5 WeakPolarHBondContact O-CG1 3.46Å; M1-I5 PolarHBondContact O-N 3.22Å
2I65.8Low70.9Confident131 Ų131115.5 Ų115.567%0.67258%0.582SS**Hα-helixtrans-60.6-42179.5-61.4165.7000113.3L4 I5 N6I2-L4 VanDerWaalsContact C-N 3.29Å; I2-L4 PolarHBondContact O-N 3.34Å; I2-I5 PolarHBondContact O-N 2.93Å; I2-N6 PolarHBondContact O-N 3.43Å
3A67.8Low70.5Confident71 Ų71115.2 Ų115.259%0.58757%0.574SS**Hα-helixtrans-65.1-29.7178.200000114M1 K7M1-A3 PolarHBondContact O-N 3.3Å; A3-K7 WeakPolarHBondContact O-CG 3.32Å; A3-K7 PolarHBondContact O-N 3.43Å; A3-K7 VanDerWaalsContact O-N 3.1Å
4L74.1Confident70Confident134 Ų134110.3 Ų110.370%0.70256%0.561SS**Hα-helixtrans-75.1-40.3177.7-157.582.5000110.4M1 I2 K7 L8M1-L4 PolarHBondContact O-N 3.23Å; I2-L4 VanDerWaalsContact C-N 3.29Å; I2-L4 PolarHBondContact O-N 3.34Å; L4-K7 PolarHBondContact O-N 3.1Å; L4-L8 WeakPolarHBondContact O-CB 3.46Å; L4-L8 PolarHBondContact O-N 2.84Å
5I78.8Confident69.2Low93 Ų93109.4 Ų109.448%0.47756%0.557SS.*Hα-helixtrans-65.6-41.3175.7-64.7166.2000110.6M1 I2 L8 L9M1-I5 WeakPolarHBondContact O-CG1 3.46Å; M1-I5 PolarHBondContact O-N 3.22Å; I2-I5 PolarHBondContact O-N 2.93Å; I5-L8 PolarHBondContact O-N 3.25Å; I5-L9 HydrophobicContact CG2-CD1 3.85Å; I5-L9 WeakPolarHBondContact O-CB 3.45Å; I5-L9 WeakPolarHBondContact O-CG 3.43Å; I5-L9 PolarHBondContact O-N 3.38Å
6N76.5Confident68.4Low82 Ų82111.9 Ų111.944%0.43956%0.563SS.*Hα-helixtrans-64.3-44.7175.5-72.6-12.8000111.9I2 L8 L9 D10I2-N6 PolarHBondContact O-N 3.43Å; N6-L8 VanDerWaalsContact C-N 3.3Å; N6-L8 PolarHBondContact O-N 2.84Å; N6-L9 PolarHBondContact O-N 3.29Å; N6-D10 WeakPolarHBondContact O-CB 3.37Å; N6-D10 VanDerWaalsContact O-CG 3.25Å; N6-D10 PolarHBondContact O-N 2.95Å
7K72.1Confident68Low159 Ų159114.2 Ų114.269%0.69156%0.564SS**Hα-helixtrans-60.3-39.3173.5-80.8-175.7174.8-175.70112.6A3 L4 W11A3-K7 WeakPolarHBondContact O-CG 3.32Å; A3-K7 PolarHBondContact O-N 3.43Å; A3-K7 VanDerWaalsContact O-N 3.1Å; L4-K7 PolarHBondContact O-N 3.1Å; K7-W11 VanDerWaalsContact O-CB 3.32Å; K7-W11 WeakPolarHBondContact O-CB 3.43Å; K7-W11 PolarHBondContact O-N 2.84Å
8L78.2Confident68Low102 Ų102115.8 Ų115.853%0.53457%0.567SS.*Hα-helixtrans-67.5-43.2177.2-151.589.9000111L4 I5 N6 W11 F12L4-L8 WeakPolarHBondContact O-CB 3.46Å; L4-L8 PolarHBondContact O-N 2.84Å; I5-L8 PolarHBondContact O-N 3.25Å; N6-L8 VanDerWaalsContact C-N 3.3Å; N6-L8 PolarHBondContact O-N 2.84Å; L8-W11 WeakPolarHBondContact O-CB 3.46Å; L8-W11 PolarHBondContact O-N 2.78Å; L8-F12 HydrophobicContact CD2-CD2 4.32Å; L8-F12 HydrophobicContact CD2-CE2 4.06Å; L8-F12 HydrophobicContact CG-CD2 4.17Å; L8-F12 HydrophobicContact CG-CE2 4.21Å; L8-F12 WeakPolarHBondContact O-CB 3.3Å; L8-F12 VanDerWaalsContact O-CD2 3.3Å; L8-F12 WeakPolarHBondContact O-CD2 3.49Å; L8-F12 PolarHBondContact O-N 2.84Å
9L76.3Confident68.5Low85 Ų85111.7 Ų111.745%0.44555%0.547SS..Hα-helixtrans-64.3-40.6176.3-83.2162.9000112.3I5 N6 W11 F12 K13I5-L9 HydrophobicContact CG2-CD1 3.85Å; I5-L9 WeakPolarHBondContact O-CB 3.45Å; I5-L9 WeakPolarHBondContact O-CG 3.43Å; I5-L9 PolarHBondContact O-N 3.38Å; N6-L9 PolarHBondContact O-N 3.29Å; L9-W11 VanDerWaalsContact C-N 3.34Å; L9-F12 PolarHBondContact O-N 3.48Å; L9-K13 WeakPolarHBondContact O-CB 3.35Å; L9-K13 VanDerWaalsContact O-CG 3.25Å; L9-K13 WeakPolarHBondContact O-CG 3.29Å; L9-K13 PolarHBondContact O-N 2.99Å
10D69.1Low69.2Low96 Ų96111.5 Ų111.551%0.51354%0.544SS..Hα-helixtrans-67.8-37.3176-69-24.2000111.3N6 K13 A14N6-D10 WeakPolarHBondContact O-CB 3.37Å; N6-D10 VanDerWaalsContact O-CG 3.25Å; N6-D10 PolarHBondContact O-N 2.95Å; D10-K13 PolarHBondContact O-N 3.34Å; D10-A14 VanDerWaalsContact O-CB 3.27Å; D10-A14 WeakPolarHBondContact O-CB 3.34Å; D10-A14 PolarHBondContact O-N 3.36Å
11W68.9Low70Confident142 Ų142106.3 Ų106.354%0.53852%0.519SS..Hα-helixtrans-64.2-44.9171.6179.482.4000112K7 L8 L9 A14 L15K7-W11 VanDerWaalsContact O-CB 3.32Å; K7-W11 WeakPolarHBondContact O-CB 3.43Å; K7-W11 PolarHBondContact O-N 2.84Å; L8-W11 WeakPolarHBondContact O-CB 3.46Å; L8-W11 PolarHBondContact O-N 2.78Å; L9-W11 VanDerWaalsContact C-N 3.34Å; W11-A14 PolarHBondContact O-N 3.09Å; W11-L15 HydrophobicContact CD2-CD1 4.3Å; W11-L15 HydrophobicContact CH2-CD1 4.06Å; W11-L15 HydrophobicContact CH2-CD2 4.43Å; W11-L15 HydrophobicContact CZ2-CD1 3.64Å; W11-L15 PolarHBondContact O-N 3.08Å
12F68.9Low71.8Confident93 Ų93100.4 Ų100.441%0.40849%0.489SS..Hα-helixtrans-62.9-44.7174.6-95.8-79.2000111.6L8 L9 A14 L15 F16L8-F12 HydrophobicContact CD2-CD2 4.32Å; L8-F12 HydrophobicContact CD2-CE2 4.06Å; L8-F12 HydrophobicContact CG-CD2 4.17Å; L8-F12 HydrophobicContact CG-CE2 4.21Å; L8-F12 WeakPolarHBondContact O-CB 3.3Å; L8-F12 VanDerWaalsContact O-CD2 3.3Å; L8-F12 WeakPolarHBondContact O-CD2 3.49Å; L8-F12 PolarHBondContact O-N 2.84Å; L9-F12 PolarHBondContact O-N 3.48Å; F12-A14 VanDerWaalsContact C-N 3.32Å; F12-A14 PolarHBondContact O-N 3.39Å; F12-L15 WeakPolarHBondContact O-CB 3.27Å; F12-L15 PolarHBondContact O-N 2.93Å; F12-L15 VanDerWaalsContact O-N 3.08Å; F12-F16 HydrophobicContact CD1-CD2 4.27Å; F12-F16 AromaticContact CD1-CE2 3.86Å; F12-F16 HydrophobicContact CD1-CE2 3.86Å; F12-F16 HydrophobicContact CE1-CE2 4.3Å; F12-F16 VanDerWaalsContact O-CD2 3.29Å; F12-F16 WeakPolarHBondContact O-CD2 3.25Å; F12-F16 PolarHBondContact O-N 3.3Å; F12-F16 VanDerWaalsContact O-N 3.09Å
13K64.7Low73.1Confident111 Ų11194.2 Ų94.248%0.48346%0.457SS..Hα-helixtrans-60.7-42.6174.8-76.2172.5-176.2174.40111.2L9 D10 L15 F16 W17L9-K13 WeakPolarHBondContact O-CB 3.35Å; L9-K13 VanDerWaalsContact O-CG 3.25Å; L9-K13 WeakPolarHBondContact O-CG 3.29Å; L9-K13 PolarHBondContact O-N 2.99Å; D10-K13 PolarHBondContact O-N 3.34Å; K13-L15 VanDerWaalsContact C-N 3.26Å; K13-L15 PolarHBondContact O-N 3.44Å; K13-F16 PolarHBondContact O-N 2.79Å; K13-W17 HydrophobicContact CB-CE3 4.27Å; K13-W17 HydrophobicContact CG-CE3 4.26Å; K13-W17 HydrophobicContact CG-CZ3 4.25Å; K13-W17 WeakPolarHBondContact O-CB 3.36Å; K13-W17 PolarHBondContact O-N 3.27Å
14A63.7Low74.4Confident47 Ų4790.8 Ų90.839%0.38843%0.429SS..Hα-helixtrans-62.3-34.9174.600000111.8D10 W11 F12 N64D10-A14 VanDerWaalsContact O-CB 3.27Å; D10-A14 WeakPolarHBondContact O-CB 3.34Å; D10-A14 PolarHBondContact O-N 3.36Å; W11-A14 PolarHBondContact O-N 3.09Å; F12-A14 VanDerWaalsContact C-N 3.32Å; F12-A14 PolarHBondContact O-N 3.39Å; A14-N64 VanDerWaalsContact O-CG 3.3Å; A14-N64 PolarHBondContact O-ND2 2.93Å
15L58.6Low75.4Confident97 Ų9784.4 Ų84.451%0.50840%0.396SS..Hα-helixtrans-67.1-35.5176.8-129.791.1000113.1W11 F12 K13W11-L15 HydrophobicContact CD2-CD1 4.3Å; W11-L15 HydrophobicContact CH2-CD1 4.06Å; W11-L15 HydrophobicContact CH2-CD2 4.43Å; W11-L15 HydrophobicContact CZ2-CD1 3.64Å; W11-L15 PolarHBondContact O-N 3.08Å; F12-L15 WeakPolarHBondContact O-CB 3.27Å; F12-L15 PolarHBondContact O-N 2.93Å; F12-L15 VanDerWaalsContact O-N 3.08Å; K13-L15 VanDerWaalsContact C-N 3.26Å; K13-L15 PolarHBondContact O-N 3.44Å
16F56.6Low76.3Confident149 Ų14980 Ų8065%0.65437%0.373SS*.Hα-helixtrans-102.5-26.8-172.5-76.4-78.2000114.5F12 K13F12-F16 HydrophobicContact CD1-CD2 4.27Å; F12-F16 AromaticContact CD1-CE2 3.86Å; F12-F16 HydrophobicContact CD1-CE2 3.86Å; F12-F16 HydrophobicContact CE1-CE2 4.3Å; F12-F16 VanDerWaalsContact O-CD2 3.29Å; F12-F16 WeakPolarHBondContact O-CD2 3.25Å; F12-F16 PolarHBondContact O-N 3.3Å; F12-F16 VanDerWaalsContact O-N 3.09Å; K13-F16 PolarHBondContact O-N 2.79Å
17W61.8Low77.2Confident151 Ų15176.1 Ų76.157%0.57235%0.352SS*.  trans-99.9114.2179.8-88.1-91.7000111.9K13K13-W17 HydrophobicContact CB-CE3 4.27Å; K13-W17 HydrophobicContact CG-CE3 4.26Å; K13-W17 HydrophobicContact CG-CZ3 4.25Å; K13-W17 WeakPolarHBondContact O-CB 3.36Å; K13-W17 PolarHBondContact O-N 3.27Å
18K67.2Low78.4Confident144 Ų14469.1 Ų69.163%0.62632%0.323SS*.PPolyproline II helixtrans-77.6127.7163-66.9179.4-179.5179.70109N64K18-N64 CarbonylContact C-O 3.54Å; K18-N64 VanDerWaalsContact CA-O 3.23Å; K18-N64 WeakPolarHBondContact CA-O 3.38Å
19E77.1Confident79.1Confident38 Ų3866.4 Ų66.418%0.17831%0.307CS..EExtended strand (participates in β ladder)trans-83.4129.3169.9-64-168.5163.800108.6N64 V65 T66 S181 R182 R185E19-N64 PolarHBondContact N-O 2.81Å; E19-V65 HydrophobicContact CB-CG2 4.28Å; E19-V65 CarbonylContact O-C 3.58Å; E19-V65 WeakPolarHBondContact O-CA 3.41Å; E19-T66 PolarHBondContact O-N 3.3Å; E19-S181 PolarHBondContact OE2-OG 3.46Å; E19-R182 VanDerWaalsContact OE2-CG 3.24Å; E19-R182 WeakPolarHBondContact OE2-CG 3.34Å; E19-R182 IonicContact OE2-NE 3.96Å; E19-R185 IonicContact OE1-NH1 3.88Å
20E82.3Confident79.9Confident107 Ų10768.9 Ų68.950%0.531%0.312SS..EExtended strand (participates in β ladder)trans-102.4128.1168.7-63.2-152.3149.100108.7K59 T66 K68E20-K59 IonicContact OE1-NZ 3.13Å; E20-K59 PolarHBondContact OE1-NZ 3.35Å; E20-T66 WeakPolarHBondContact CA-O 3.24Å; E20-T66 HydrophobicContact CG-CG2 4.35Å; E20-K68 WeakPolarHBondContact OE2-CE 3.36Å; E20-K68 IonicContact OE2-NZ 3.16Å; E20-K68 PolarHBondContact OE2-NZ 3.46Å
21M87.8Confident81.1Confident3 Ų364.4 Ų64.42%0.01529%0.288CS..EExtended strand (participates in β ladder)trans-123141.5171.572178.5-53.700109.8L23 V65 T66 I67 K68 L177M21-L23 HydrophobicContact CE-CD1 3.8Å; M21-L23 HydrophobicContact CE-CD2 3.43Å; M21-L23 VanDerWaalsContact CE-CD2 3.43Å; M21-L23 HydrophobicContact CE-CG 3.65Å; M21-L23 HydrophobicContact SD-CD1 4.3Å; M21-L23 HydrophobicContact SD-CG 4.47Å; M21-V65 HydrophobicContact CG-CG1 3.93Å; M21-V65 HydrophobicContact SD-CG1 3.83Å; M21-T66 PolarHBondContact N-O 3.48Å; M21-I67 HydrophobicContact CG-CB 4.17Å; M21-I67 HydrophobicContact CG-CG1 3.82Å; M21-I67 HydrophobicContact CG-CG2 4.19Å; M21-I67 CarbonylContact O-C 3.56Å; M21-I67 WeakPolarHBondContact O-CA 3.26Å; M21-I67 HydrophobicContact SD-CD1 4.04Å; M21-I67 HydrophobicContact SD-CG1 3.74Å; M21-I67 HydrophobicContact SD-CG2 4.47Å; M21-K68 PolarHBondContact O-N 3.4Å; M21-L177 HydrophobicContact CE-CB 4.29Å; M21-L177 WeakPolarHBondContact CE-O 3.46Å
22E91.1Very high82.3Confident73 Ų7358.2 Ų58.234%0.34127%0.268SS..EExtended strand (participates in β ladder)trans-108135.6172.7-166.7163.5-178.700109.2K68 W70 V89 S90E22-K68 WeakPolarHBondContact CA-O 3.09Å; E22-K68 HydrophobicContact CG-CB 4.24Å; E22-W70 PolarHBondContact OE1-NE1 3.13Å; E22-V89 HydrophobicContact CG-CG1 4.15Å; E22-S90 PolarHBondContact N-OG 2.98Å; E22-S90 WeakPolarHBondContact O-CB 3.31Å; E22-S90 PolarHBondContact O-N 3.45Å; E22-S90 PolarHBondContact O-OG 3.45Å
23L93.1Very high83.5Confident1 Ų154.3 Ų54.31%0.00525%0.25CS..EExtended strand (participates in β ladder)trans-136.7151.5-176.7-67-178.9000109.6M21 I67 K68 L69 W70 A91 L177M21-L23 HydrophobicContact CE-CD1 3.8Å; M21-L23 HydrophobicContact CE-CD2 3.43Å; M21-L23 VanDerWaalsContact CE-CD2 3.43Å; M21-L23 HydrophobicContact CE-CG 3.65Å; M21-L23 HydrophobicContact SD-CD1 4.3Å; M21-L23 HydrophobicContact SD-CG 4.47Å; L23-I67 HydrophobicContact CB-CG2 4.41Å; L23-I67 HydrophobicContact CD1-CG2 3.48Å; L23-I67 VanDerWaalsContact CD1-CG2 3.48Å; L23-I67 HydrophobicContact CG-CG2 4.02Å; L23-K68 PolarHBondContact N-O 3.15Å; L23-L69 HydrophobicContact CB-CD1 3.58Å; L23-L69 HydrophobicContact CD1-CD1 4.34Å; L23-L69 WeakPolarHBondContact O-CA 3.34Å; L23-W70 PolarHBondContact O-N 3.28Å; L23-A91 HydrophobicContact CD2-CB 3.72Å; L23-A91 WeakPolarHBondContact CD2-O 3.36Å; L23-L177 HydrophobicContact CD1-CB 4.36Å; L23-L177 HydrophobicContact CD1-CD1 3.85Å; L23-L177 HydrophobicContact CD1-CD2 3.66Å; L23-L177 HydrophobicContact CD1-CG 4.16Å; L23-L177 HydrophobicContact CD2-CD2 4.07Å
24T94.8Very high84.7Confident0 Ų050 Ų500%023%0.234CC..EExtended strand (participates in β ladder)trans-117.8133.9171-44.50000109.4V26 W70 I72 Y85 V89 V93T24-V26 HydrophobicContact CG2-CG1 3.7Å; T24-W70 HydrophobicContact CG2-CB 4.11Å; T24-I72 HydrophobicContact CG2-CG1 3.94Å; T24-Y85 PolarHBondContact OG1-O 3.24Å; T24-V89 VanDerWaalsContact OG1-CG1 3.23Å; T24-V89 WeakPolarHBondContact OG1-CG1 3.48Å; T24-V93 PolarHBondContact O-N 2.98Å
25L96.1Very high86Confident0 Ų048.7 Ų48.70%022%0.221CC..EExtended strand (participates in β ladder)trans-107.5111.2173-17959.9000109.2K33 F36 V37 L69 W70 I72 V93 M95L25-K33 HydrophobicContact CD1-CG 4.12Å; L25-K33 HydrophobicContact CD2-CB 3.65Å; L25-K33 HydrophobicContact CD2-CG 4.14Å; L25-K33 VanDerWaalsContact CD2-O 3.29Å; L25-K33 WeakPolarHBondContact CD2-O 3.42Å; L25-K33 HydrophobicContact CG-CB 3.83Å; L25-K33 HydrophobicContact CG-CD 4.03Å; L25-K33 HydrophobicContact CG-CG 3.77Å; L25-F36 HydrophobicContact CD2-CD1 3.95Å; L25-V37 HydrophobicContact CD2-CG2 3.51Å; L25-L69 HydrophobicContact CB-CD1 3.92Å; L25-L69 HydrophobicContact CB-CD2 4.46Å; L25-L69 HydrophobicContact CB-CG 4.19Å; L25-L69 HydrophobicContact CD2-CD2 4.24Å; L25-W70 PolarHBondContact N-O 3.26Å; L25-I72 PolarHBondContact O-N 2.79Å; L25-V93 WeakPolarHBondContact CA-O 3.35Å; L25-V93 HydrophobicContact CD1-CB 3.89Å; L25-V93 HydrophobicContact CD1-CG1 3.61Å; L25-M95 HydrophobicContact CD1-CB 4.1Å; L25-M95 HydrophobicContact CD1-CE 3.88Å
26V96.8Very high87.7Confident0 Ų044.1 Ų44.10%020%0.197CC..EExtended strand (participates in β ladder)trans-129.1169.1-177.7-65.10000110.8T24 I72 W82 I92 V93 Y94 M95 L114T24-V26 HydrophobicContact CG2-CG1 3.7Å; V26-I72 HydrophobicContact CG1-CB 4.28Å; V26-I72 HydrophobicContact CG1-CG1 4.17Å; V26-W82 HydrophobicContact CB-CD2 4.09Å; V26-W82 HydrophobicContact CB-CE3 4.3Å; V26-W82 HydrophobicContact CB-CG 4.37Å; V26-W82 HydrophobicContact CG1-CB 4.21Å; V26-W82 HydrophobicContact CG1-CD2 4.2Å; V26-W82 HydrophobicContact CG1-CG 3.95Å; V26-I92 HydrophobicContact CG2-CG2 3.88Å; V26-V93 PolarHBondContact N-O 3.29Å; V26-Y94 HydrophobicContact CG2-CD2 3.76Å; V26-Y94 HydrophobicContact CG2-CE2 4.39Å; V26-Y94 WeakPolarHBondContact O-CA 3.45Å; V26-M95 PolarHBondContact O-N 2.9Å; V26-L114 HydrophobicContact CG2-CD2 3.89Å
27G97.1Very high89.3Confident0 Ų037 Ų370%017%0.166CC..  trans137.6168.8-175.300000111.7K33 G74 W82G27-K33 PolarHBondContact O-NZ 2.74Å; G27-G74 WeakPolarHBondContact O-CA 3.24Å; G27-W82 WeakPolarHBondContact O-CZ2 3.43Å
28L95.8Very high90.5Very high13 Ų1330.9 Ų30.97%0.06814%0.144CC..SBendtrans-59.1159.8-175.5-58.4-173000113S31 K33 K103 A106 E110L28-S31 PolarHBondContact O-N 3.38Å; L28-S31 PolarHBondContact O-OG 3.16Å; L28-K33 PolarHBondContact O-NZ 3.5Å; L28-K103 HydrophobicContact CD1-CB 4.01Å; L28-A106 HydrophobicContact CD1-CB 4.27Å; L28-E110 HydrophobicContact CD2-CG 4.16Å
29Q92.9Very high91.6Very high45 Ų4524.5 Ų24.521%0.2112%0.117CC..THydrogen-bonded Turntrans-60.2146.4173.9-166.7-178.41.300110S31 P51 G74 Q75Q29-S31 PolarHBondContact O-N 2.79Å; Q29-P51 HydrophobicContact CG-CB 4.08Å; Q29-P51 HydrophobicContact CG-CG 4.28Å; Q29-G74 PolarHBondContact N-O 3.47Å; Q29-Q75 HydrophobicContact CG-CG 4.39Å; Q29-Q75 VanDerWaalsContact NE2-NE2 3.17Å
30Y92.7Very high92Very high137 Ų13723.7 Ų23.754%0.53711%0.114SC..THydrogen-bonded Turntrans68.55.5-180-48.3-67.4000116.7G32 P51 K131Y30-G32 PolarHBondContact O-N 3.31Å; Y30-P51 HydrophobicContact CD1-CG 4.16Å; Y30-P51 HydrophobicContact CE1-CG 3.29Å; Y30-K131 WeakPolarHBondContact O-CE 3.48Å; Y30-K131 PolarHBondContact O-NZ 2.84Å
31S95.5Very high91.9Very high2 Ų221 Ų211%0.01411%0.11CC..SBendtrans-68.7-8.7172.964.50000114.8L28 Q29 M95 N130L28-S31 PolarHBondContact O-N 3.38Å; L28-S31 PolarHBondContact O-OG 3.16Å; Q29-S31 PolarHBondContact O-N 2.79Å; S31-M95 VanDerWaalsContact CB-O 3.29Å; S31-M95 WeakPolarHBondContact CB-O 3.39Å; S31-M95 VanDerWaalsContact O-CG 3.29Å; S31-M95 WeakPolarHBondContact O-CG 3.26Å; S31-M95 WeakPolarHBondContact OG-CG 3.46Å; S31-M95 PolarHBondContact OG-O 2.96Å; S31-M95 VanDerWaalsContact OG-O 3.13Å; S31-N130 PolarHBondContact O-ND2 2.9Å
32G93.9Very high91.2Very high11 Ų1124.2 Ų24.211%0.11313%0.133CC..SBendtrans93.320.7177.200000115.1Y30 T35 F36Y30-G32 PolarHBondContact O-N 3.31Å; G32-T35 WeakPolarHBondContact O-CB 3.37Å; G32-T35 PolarHBondContact O-N 3.13Å; G32-F36 PolarHBondContact O-N 2.97Å
33K93.6Very high90Very high11 Ų1122.3 Ų22.35%0.04813%0.133CC..Hα-helixtrans-52.1-58176.6-67.4-174.9-61.8-66.80113.3L25 G27 L28 T35 F36 V37 D71 I72 M95L25-K33 HydrophobicContact CD1-CG 4.12Å; L25-K33 HydrophobicContact CD2-CB 3.65Å; L25-K33 HydrophobicContact CD2-CG 4.14Å; L25-K33 VanDerWaalsContact CD2-O 3.29Å; L25-K33 WeakPolarHBondContact CD2-O 3.42Å; L25-K33 HydrophobicContact CG-CB 3.83Å; L25-K33 HydrophobicContact CG-CD 4.03Å; L25-K33 HydrophobicContact CG-CG 3.77Å; G27-K33 PolarHBondContact O-NZ 2.74Å; L28-K33 PolarHBondContact O-NZ 3.5Å; K33-T35 VanDerWaalsContact C-N 3.26Å; K33-T35 PolarHBondContact O-N 3.38Å; K33-F36 WeakPolarHBondContact O-CB 3.44Å; K33-F36 PolarHBondContact O-N 2.95Å; K33-F36 VanDerWaalsContact O-N 3.11Å; K33-V37 VanDerWaalsContact O-CG2 3.3Å; K33-V37 WeakPolarHBondContact O-CG2 3.41Å; K33-V37 PolarHBondContact O-N 3.12Å; K33-D71 WeakPolarHBondContact CB-OD1 3.23Å; K33-I72 WeakPolarHBondContact CE-O 3.3Å; K33-M95 HydrophobicContact CG-CB 3.68Å; K33-M95 HydrophobicContact CG-CG 4.09Å
34T89.9Confident88.6Confident22 Ų2229 Ų2914%0.13516%0.164CC..Hα-helixtrans-65.3-33.2-177.5-38.70000111.9V37 N38 M49 T52 D71T34-V37 PolarHBondContact O-N 3.44Å; T34-N38 PolarHBondContact O-N 3.34Å; T34-M49 HydrophobicContact CG2-CE 3.2Å; T34-T52 PolarHBondContact OG1-OG1 3.07Å; T34-D71 WeakPolarHBondContact CB-OD2 3.41Å; T34-D71 PolarHBondContact OG1-OD2 2.89Å
35T91.8Very high86.8Confident19 Ų1932.7 Ų32.712%0.11718%0.18CC..Hα-helixtrans-61.3-48.2171.5-51.50000111.2G32 K33 V37 N38 V39 F45 C164G32-T35 WeakPolarHBondContact O-CB 3.37Å; G32-T35 PolarHBondContact O-N 3.13Å; K33-T35 VanDerWaalsContact C-N 3.26Å; K33-T35 PolarHBondContact O-N 3.38Å; T35-V37 VanDerWaalsContact C-N 3.3Å; T35-V37 PolarHBondContact O-N 3.48Å; T35-N38 WeakPolarHBondContact O-CB 3.44Å; T35-N38 PolarHBondContact O-N 3.45Å; T35-N38 VanDerWaalsContact O-N 3.14Å; T35-V39 WeakPolarHBondContact O-CG2 3.23Å; T35-V39 PolarHBondContact O-N 3.28Å; T35-F45 HydrophobicContact CG2-CD2 3.36Å; T35-F45 HydrophobicContact CG2-CE2 3.41Å; T35-F45 VanDerWaalsContact CG2-CE2 3.41Å; T35-C164 HydrophobicContact CG2-CB 3.81Å
36F93.2Very high85.3Confident1 Ų135.2 Ų35.20%0.00420%0.198CC..Hα-helixtrans-56.4-46.4175176.8-101.8000110.9L25 G32 K33 N38 V39 I40 M95 L128 I162 I170 T173L25-F36 HydrophobicContact CD2-CD1 3.95Å; G32-F36 PolarHBondContact O-N 2.97Å; K33-F36 WeakPolarHBondContact O-CB 3.44Å; K33-F36 PolarHBondContact O-N 2.95Å; K33-F36 VanDerWaalsContact O-N 3.11Å; F36-N38 VanDerWaalsContact C-N 3.34Å; F36-N38 PolarHBondContact O-N 3.18Å; F36-V39 PolarHBondContact O-N 3.21Å; F36-I40 HydrophobicContact CD1-CD1 4.07Å; F36-I40 HydrophobicContact CD2-CG2 4.32Å; F36-I40 HydrophobicContact CE1-CD1 3.71Å; F36-I40 HydrophobicContact CE1-CG2 4.27Å; F36-I40 HydrophobicContact CE2-CG2 3.92Å; F36-I40 HydrophobicContact CZ-CD1 4.26Å; F36-I40 HydrophobicContact CZ-CG2 3.89Å; F36-I40 WeakPolarHBondContact O-CG1 3.34Å; F36-I40 PolarHBondContact O-N 3.42Å; F36-M95 HydrophobicContact CB-CE 3.57Å; F36-M95 HydrophobicContact CD1-CE 3.97Å; F36-M95 HydrophobicContact CD2-CE 4Å; F36-M95 HydrophobicContact CG-CE 3.58Å; F36-L128 HydrophobicContact CD2-CD1 4.49Å; F36-L128 HydrophobicContact CE1-CD1 4.48Å; F36-L128 HydrophobicContact CE2-CD1 3.99Å; F36-L128 HydrophobicContact CZ-CD1 3.99Å; F36-I162 HydrophobicContact CD2-CD1 4.06Å; F36-I162 HydrophobicContact CE2-CD1 4.28Å; F36-I170 HydrophobicContact CD2-CD1 4.08Å; F36-I170 HydrophobicContact CE2-CD1 4.08Å; F36-T173 HydrophobicContact CE2-CG2 3.88Å; F36-T173 HydrophobicContact CZ-CG2 3.66Å
37V90.1Very high83.2Confident0 Ų042.3 Ų42.30%023%0.231CC..Hα-helixtrans-58.9-42.7176.1-173.50000112.1L25 K33 T34 T35 I40 A41 R58 I60 L69 D71L25-V37 HydrophobicContact CD2-CG2 3.51Å; K33-V37 VanDerWaalsContact O-CG2 3.3Å; K33-V37 WeakPolarHBondContact O-CG2 3.41Å; K33-V37 PolarHBondContact O-N 3.12Å; T34-V37 PolarHBondContact O-N 3.44Å; T35-V37 VanDerWaalsContact C-N 3.3Å; T35-V37 PolarHBondContact O-N 3.48Å; V37-I40 WeakPolarHBondContact O-CG1 3.25Å; V37-A41 WeakPolarHBondContact O-CB 3.32Å; V37-A41 PolarHBondContact O-N 2.98Å; V37-R58 HydrophobicContact CG1-CB 3.82Å; V37-R58 HydrophobicContact CG1-CG 3.79Å; V37-I60 HydrophobicContact CG1-CD1 4.39Å; V37-L69 HydrophobicContact CB-CD2 4.31Å; V37-L69 HydrophobicContact CG1-CD2 4.19Å; V37-L69 HydrophobicContact CG2-CD2 3.51Å; V37-L69 HydrophobicContact CG2-CG 4.43Å; V37-D71 HydrophobicContact CG2-CB 4.23Å
38N87.8Confident81.4Confident22 Ų2249.4 Ų49.412%0.11827%0.269CS..Hα-helixtrans-61.8-48.5175.7-74.8-5.7000111.4T34 T35 F36 I40 A41 S42 M49 R58T34-N38 PolarHBondContact O-N 3.34Å; T35-N38 WeakPolarHBondContact O-CB 3.44Å; T35-N38 PolarHBondContact O-N 3.45Å; T35-N38 VanDerWaalsContact O-N 3.14Å; F36-N38 VanDerWaalsContact C-N 3.34Å; F36-N38 PolarHBondContact O-N 3.18Å; N38-I40 VanDerWaalsContact C-N 3.33Å; N38-I40 PolarHBondContact O-N 2.92Å; N38-A41 PolarHBondContact O-N 2.81Å; N38-A41 VanDerWaalsContact O-N 3.14Å; N38-S42 PolarHBondContact O-N 3.22Å; N38-S42 PolarHBondContact O-OG 3.3Å; N38-S42 VanDerWaalsContact O-OG 3.06Å; N38-M49 WeakPolarHBondContact ND2-CE 3.35Å; N38-M49 PolarHBondContact ND2-SD 2.76Å; N38-R58 PolarHBondContact OD1-NH1 3.37Å; N38-R58 PolarHBondContact OD1-NH2 3.45Å
39V89.6Confident80Confident9 Ų951.4 Ų51.46%0.05528%0.279CS..Hα-helixtrans-60.3-43.8-177.2171.30000111.1T35 F36 G43 C164 K167 I170T35-V39 WeakPolarHBondContact O-CG2 3.23Å; T35-V39 PolarHBondContact O-N 3.28Å; F36-V39 PolarHBondContact O-N 3.21Å; V39-G43 WeakPolarHBondContact O-CA 3.41Å; V39-G43 PolarHBondContact O-N 3.17Å; V39-C164 HydrophobicContact CG2-CB 4.33Å; V39-C164 WeakPolarHBondContact CG2-O 3.31Å; V39-K167 HydrophobicContact CG1-CG 4.18Å; V39-I170 HydrophobicContact CG1-CG1 4.32Å; V39-I170 HydrophobicContact CG1-CG2 4.28Å
40I86Confident78.6Confident21 Ų2156.2 Ų56.211%0.10831%0.305CS..Hα-helixtrans-76.1-23.7178.968.2-177.9000113.4F36 V37 N38 I60 L69 I170 L174F36-I40 HydrophobicContact CD1-CD1 4.07Å; F36-I40 HydrophobicContact CD2-CG2 4.32Å; F36-I40 HydrophobicContact CE1-CD1 3.71Å; F36-I40 HydrophobicContact CE1-CG2 4.27Å; F36-I40 HydrophobicContact CE2-CG2 3.92Å; F36-I40 HydrophobicContact CZ-CD1 4.26Å; F36-I40 HydrophobicContact CZ-CG2 3.89Å; F36-I40 WeakPolarHBondContact O-CG1 3.34Å; F36-I40 PolarHBondContact O-N 3.42Å; V37-I40 WeakPolarHBondContact O-CG1 3.25Å; N38-I40 VanDerWaalsContact C-N 3.33Å; N38-I40 PolarHBondContact O-N 2.92Å; I40-I60 HydrophobicContact CD1-CD1 3.4Å; I40-I60 HydrophobicContact CG1-CD1 3.53Å; I40-I60 HydrophobicContact CG1-CG1 4.34Å; I40-I60 WeakPolarHBondContact O-CG2 3.48Å; I40-L69 HydrophobicContact CD1-CD2 3.81Å; I40-I170 HydrophobicContact CG2-CG2 3.93Å; I40-L174 HydrophobicContact CB-CD2 4.29Å; I40-L174 HydrophobicContact CG2-CD1 4.23Å; I40-L174 HydrophobicContact CG2-CD2 4.07Å; I40-L174 HydrophobicContact CG2-CG 4.37Å
41A80.9Confident77.1Confident52 Ų5251.5 Ų51.543%0.4329%0.29SS..Hα-helixtrans-87.1-45.5-177.600000113.3V37 N38 I60V37-A41 WeakPolarHBondContact O-CB 3.32Å; V37-A41 PolarHBondContact O-N 2.98Å; N38-A41 PolarHBondContact O-N 2.81Å; N38-A41 VanDerWaalsContact O-N 3.14Å; A41-I60 HydrophobicContact CB-CD1 4.5Å; A41-I60 HydrophobicContact CB-CG1 3.84Å
42S73.4Confident75.8Confident70 Ų7052.6 Ų52.649%0.4930%0.297SS..Hα-helixtrans-123-5.1-172.460.70000113.6N38 Q44N38-S42 PolarHBondContact O-N 3.22Å; N38-S42 PolarHBondContact O-OG 3.3Å; N38-S42 VanDerWaalsContact O-OG 3.06Å; S42-Q44 PolarHBondContact O-N 2.91Å; S42-Q44 VanDerWaalsContact O-N 3.16Å; S42-Q44 PolarHBondContact OG-N 3.13Å
43G65.6Low74.8Confident33 Ų3357.1 Ų57.134%0.3432%0.322SS..SBendtrans67.56.8-173.200000113.5V39 K167V39-G43 WeakPolarHBondContact O-CA 3.41Å; V39-G43 PolarHBondContact O-N 3.17Å; G43-K167 WeakPolarHBondContact O-CE 3.46Å; G43-K167 PolarHBondContact O-NZ 3.38Å
44Q62.6Low74Confident140 Ų14057.2 Ų57.265%0.65433%0.326SS*.  trans-105135.8-178-67.2-178-11.400110.8S42S42-Q44 PolarHBondContact O-N 2.91Å; S42-Q44 VanDerWaalsContact O-N 3.16Å; S42-Q44 PolarHBondContact OG-N 3.13Å
45F58.3Low73.6Confident78 Ų7860.9 Ų60.934%0.34234%0.34SS..  trans-97.9144.4168.6173.2-104.2000108.7T35 E47 K165T35-F45 HydrophobicContact CG2-CD2 3.36Å; T35-F45 HydrophobicContact CG2-CE2 3.41Å; T35-F45 VanDerWaalsContact CG2-CE2 3.41Å; F45-E47 HydrophobicContact CD1-CG 4.2Å; F45-E47 HydrophobicContact CE1-CB 4.35Å; F45-E47 HydrophobicContact CE1-CG 3.28Å; F45-E47 HydrophobicContact CZ-CG 3.86Å; F45-K165 HydrophobicContact CE1-CG 4.17Å; F45-K165 HydrophobicContact CE2-CB 4.34Å; F45-K165 HydrophobicContact CZ-CB 4.37Å; F45-K165 HydrophobicContact CZ-CG 4.2Å
46S63.1Low73.1Confident54 Ų5463.4 Ų63.438%0.37835%0.353SS..  trans-131.4126.9173.7-175.40000107.4M49S46-M49 VanDerWaalsContact O-CG 3.31Å; S46-M49 WeakPolarHBondContact O-CG 3.45Å
47E53.6Low72.7Confident148 Ų14867.3 Ų67.369%0.69237%0.373SS*.SBendtrans-71.6-37.6179.3-76-174.5156.800111.6F45 M49F45-E47 HydrophobicContact CD1-CG 4.2Å; F45-E47 HydrophobicContact CE1-CB 4.35Å; F45-E47 HydrophobicContact CE1-CG 3.28Å; F45-E47 HydrophobicContact CZ-CG 3.86Å; E47-M49 VanDerWaalsContact C-N 3.32Å; E47-M49 PolarHBondContact O-N 3.32Å
48D59.7Low72.4Confident149 Ų14970.6 Ų70.680%0.79739%0.385SS*.  trans-85.862-175.5-61.4-42.6000113.3
49M65.1Low72.2Confident55 Ų5575.2 Ų75.227%0.27140%0.404SS..PPolyproline II helixtrans-91.5116.7177.2-65.7-67.3-78.600111.7T34 N38 S46 E47T34-M49 HydrophobicContact CG2-CE 3.2Å; N38-M49 WeakPolarHBondContact ND2-CE 3.35Å; N38-M49 PolarHBondContact ND2-SD 2.76Å; S46-M49 VanDerWaalsContact O-CG 3.31Å; S46-M49 WeakPolarHBondContact O-CG 3.45Å; E47-M49 VanDerWaalsContact C-N 3.32Å; E47-M49 PolarHBondContact O-N 3.32Å
50I65.2Low71.9Confident147 Ų14775.2 Ų75.275%0.75440%0.404SS*.PPolyproline II helixtrans-79.3140.5173.2-58.3175.2000109.4T52I50-T52 PolarHBondContact O-N 2.81Å
51P59.8Low71.6Confident37 Ų3778.4 Ų78.424%0.2442%0.424CS..PPolyproline II helixtrans-54.3132.1175.3-29.237.1000114.2Q29 Y30 V53Q29-P51 HydrophobicContact CG-CB 4.08Å; Q29-P51 HydrophobicContact CG-CG 4.28Å; Y30-P51 HydrophobicContact CD1-CG 4.16Å; Y30-P51 HydrophobicContact CE1-CG 3.29Å; P51-V53 PolarHBondContact O-N 3.28Å
52T68.7Low71.2Confident26 Ų2680.5 Ų80.516%0.1642%0.424CS..PPolyproline II helixtrans-60.3127.5175.6-52.50000111.7T34 I50 D71T34-T52 PolarHBondContact OG1-OG1 3.07Å; I50-T52 PolarHBondContact O-N 2.81Å; T52-D71 PolarHBondContact OG1-OD2 3.11Å
53V72.6Confident71.3Confident106 Ų10680.2 Ų80.264%0.64243%0.432SS*.PPolyproline II helixtrans-93.7117.8170.9-179.70000108.1P51 F55 F78P51-V53 PolarHBondContact O-N 3.28Å; V53-F55 PolarHBondContact O-N 3.22Å; V53-F78 HydrophobicContact CG1-CE2 4.38Å; V53-F78 HydrophobicContact CG1-CZ 3.84Å
54G78.1Confident71.9Confident12 Ų1282.3 Ų82.312%0.12444%0.435CS..SBendtrans80.8-113.3179.300000113G73 F78G54-G73 PolarHBondContact O-N 3.25Å; G54-F78 VanDerWaalsContact N-CZ 3.33Å
55F79.8Confident72.6Confident99 Ų9976 Ų7643%0.43441%0.406SS..EExtended strand (participates in β ladder)trans-147.6151.8-17760.9-88.7000111.1V53 W70 D71 I72 Y85V53-F55 PolarHBondContact O-N 3.22Å; F55-W70 HydrophobicContact CD2-CE3 4.15Å; F55-W70 AromaticContact CD2-CZ3 3.8Å; F55-W70 HydrophobicContact CD2-CZ3 3.8Å; F55-W70 HydrophobicContact CE2-CZ3 4.12Å; F55-D71 CarbonylContact C-O 3.59Å; F55-D71 WeakPolarHBondContact CA-O 3.43Å; F55-I72 HydrophobicContact CB-CD1 3.57Å; F55-Y85 HydrophobicContact CD1-CE2 4.28Å; F55-Y85 AromaticContact CD1-CZ 3.88Å; F55-Y85 VanDerWaalsContact CD1-OH 3.29Å; F55-Y85 WeakPolarHBondContact CD1-OH 3.33Å; F55-Y85 HydrophobicContact CD2-CE1 4.1Å; F55-Y85 WeakPolarHBondContact CE1-OH 3.33Å; F55-Y85 HydrophobicContact CE2-CE1 4.47Å; F55-Y85 WeakPolarHBondContact CE2-OH 3.49Å; F55-Y85 HydrophobicContact CG-CE1 4.22Å; F55-Y85 HydrophobicContact CG-CE2 4.42Å; F55-Y85 AromaticContact CG-CZ 3.82Å; F55-Y85 WeakPolarHBondContact CZ-OH 3.34Å
56N82.4Confident73.9Confident73 Ų7372.5 Ų72.539%0.3939%0.391SS..EExtended strand (participates in β ladder)trans-137.9131.5173.5-169.6-25.2000109.6D71N56-D71 PolarHBondContact N-O 2.86Å; N56-D71 PolarHBondContact O-N 2.94Å
57M84.3Confident74.9Confident83 Ų8370 Ų7041%0.40937%0.374SS..EExtended strand (participates in β ladder)trans-97.1126.1171.9-174.7-132.458.400109.5L69 W70M57-L69 WeakPolarHBondContact CA-O 3.33Å; M57-W70 HydrophobicContact CB-CD2 4.12Å; M57-W70 HydrophobicContact CB-CE3 3.71Å; M57-W70 HydrophobicContact CB-CH2 3.9Å; M57-W70 HydrophobicContact CB-CZ2 4.29Å; M57-W70 HydrophobicContact CB-CZ3 3.6Å; M57-W70 HydrophobicContact CG-CD2 4.22Å; M57-W70 HydrophobicContact CG-CE3 4.31Å; M57-W70 HydrophobicContact CG-CH2 4.2Å; M57-W70 HydrophobicContact CG-CZ2 4.11Å; M57-W70 HydrophobicContact CG-CZ3 4.31Å
58R84.6Confident76.5Confident69 Ų6965.8 Ų65.826%0.2635%0.353SS..EExtended strand (participates in β ladder)trans-117.2137.1170-63.7-138.8-163.1147.1-4.1111.5V37 N38 L69V37-R58 HydrophobicContact CG1-CB 3.82Å; V37-R58 HydrophobicContact CG1-CG 3.79Å; N38-R58 PolarHBondContact OD1-NH1 3.37Å; N38-R58 PolarHBondContact OD1-NH2 3.45Å; R58-L69 PolarHBondContact N-O 2.83Å; R58-L69 PolarHBondContact O-N 3.32Å
59K82.9Confident77.9Confident119 Ų11958.8 Ų58.852%0.51732%0.316SS..EExtended strand (participates in β ladder)trans-101.2117.3174.9-166.1174.8-172.7172.10108.6E20 T66 I67E20-K59 IonicContact OE1-NZ 3.13Å; E20-K59 PolarHBondContact OE1-NZ 3.35Å; K59-T66 HydrophobicContact CD-CG2 4.04Å; K59-T66 HydrophobicContact CG-CG2 3.8Å; K59-I67 CarbonylContact C-O 3.58Å; K59-I67 WeakPolarHBondContact CA-O 3.44Å
60I83.1Confident79Confident9 Ų958.6 Ų58.65%0.04631%0.312CS..EExtended strand (participates in β ladder)trans-115.7127.4179.3-62.1141.9000107.7V37 I40 A41 T66 I67 L69V37-I60 HydrophobicContact CG1-CD1 4.39Å; I40-I60 HydrophobicContact CD1-CD1 3.4Å; I40-I60 HydrophobicContact CG1-CD1 3.53Å; I40-I60 HydrophobicContact CG1-CG1 4.34Å; I40-I60 WeakPolarHBondContact O-CG2 3.48Å; A41-I60 HydrophobicContact CB-CD1 4.5Å; A41-I60 HydrophobicContact CB-CG1 3.84Å; I60-T66 CarbonylContact O-C 3.58Å; I60-I67 HydrophobicContact CB-CB 4.37Å; I60-I67 PolarHBondContact N-O 3.35Å; I60-I67 PolarHBondContact O-N 3.38Å; I60-L69 HydrophobicContact CD1-CB 4.33Å; I60-L69 HydrophobicContact CD1-CD2 4.22Å
61T79.8Confident80Confident88 Ų8851.8 Ų51.854%0.5428%0.277SS..EExtended strand (participates in β ladder)trans-110.6118.2177.2-51.50000108.7V65T61-V65 WeakPolarHBondContact CA-O 3.31Å
62K73.1Confident81.3Confident96 Ų9650 Ų5042%0.41727%0.265SS..EExtended strand (participates in β ladder)trans-128.2113.4175.6-170.3169-177.7174.30109.4N64 V65 L174K62-N64 PolarHBondContact O-N 2.85Å; K62-V65 PolarHBondContact N-O 3.41Å; K62-V65 PolarHBondContact O-N 2.92Å; K62-V65 VanDerWaalsContact O-N 3.13Å; K62-L174 HydrophobicContact CD-CD1 3.9Å
63G75.4Confident82Confident64 Ų6448.8 Ų48.866%0.6626%0.258SS*.THydrogen-bonded Turntrans58.9-125.4-170.700000110.9
64N77.6Confident82.5Confident77 Ų7744 Ų4441%0.41223%0.23SC..THydrogen-bonded Turntrans-94.24.5179.7-57.3-26.4000113A14 K18 E19 K62A14-N64 VanDerWaalsContact O-CG 3.3Å; A14-N64 PolarHBondContact O-ND2 2.93Å; K18-N64 CarbonylContact C-O 3.54Å; K18-N64 VanDerWaalsContact CA-O 3.23Å; K18-N64 WeakPolarHBondContact CA-O 3.38Å; E19-N64 PolarHBondContact N-O 2.81Å; K62-N64 PolarHBondContact O-N 2.85Å
65V78.5Confident82.9Confident7 Ų745.1 Ų45.14%0.04223%0.232CC..EExtended strand (participates in β ladder)trans-104.1130.9179.1-173.30000110.3E19 M21 T61 K62 I67 I178E19-V65 HydrophobicContact CB-CG2 4.28Å; E19-V65 CarbonylContact O-C 3.58Å; E19-V65 WeakPolarHBondContact O-CA 3.41Å; M21-V65 HydrophobicContact CG-CG1 3.93Å; M21-V65 HydrophobicContact SD-CG1 3.83Å; T61-V65 WeakPolarHBondContact CA-O 3.31Å; K62-V65 PolarHBondContact N-O 3.41Å; K62-V65 PolarHBondContact O-N 2.92Å; K62-V65 VanDerWaalsContact O-N 3.13Å; V65-I67 HydrophobicContact CG1-CG1 4.09Å; V65-I178 HydrophobicContact CB-CG1 4.38Å; V65-I178 HydrophobicContact CG2-CG1 4.2Å; V65-I178 HydrophobicContact CG2-CG2 4Å
66T84.1Confident83.3Confident5 Ų544.9 Ų44.93%0.03124%0.24CC..EExtended strand (participates in β ladder)trans-108.3114.4172.9-680000108.6E19 E20 M21 K59 I60E19-T66 PolarHBondContact O-N 3.3Å; E20-T66 WeakPolarHBondContact CA-O 3.24Å; E20-T66 HydrophobicContact CG-CG2 4.35Å; M21-T66 PolarHBondContact N-O 3.48Å; K59-T66 HydrophobicContact CD-CG2 4.04Å; K59-T66 HydrophobicContact CG-CG2 3.8Å; I60-T66 CarbonylContact O-C 3.58Å
67I85.6Confident83.5Confident2 Ų249 Ų491%0.0125%0.25CS..EExtended strand (participates in β ladder)trans-99.4117.2-179.1-51.4-175.2000108.6M21 L23 K59 I60 V65 L69M21-I67 HydrophobicContact CG-CB 4.17Å; M21-I67 HydrophobicContact CG-CG1 3.82Å; M21-I67 HydrophobicContact CG-CG2 4.19Å; M21-I67 CarbonylContact O-C 3.56Å; M21-I67 WeakPolarHBondContact O-CA 3.26Å; M21-I67 HydrophobicContact SD-CD1 4.04Å; M21-I67 HydrophobicContact SD-CG1 3.74Å; M21-I67 HydrophobicContact SD-CG2 4.47Å; L23-I67 HydrophobicContact CB-CG2 4.41Å; L23-I67 HydrophobicContact CD1-CG2 3.48Å; L23-I67 VanDerWaalsContact CD1-CG2 3.48Å; L23-I67 HydrophobicContact CG-CG2 4.02Å; K59-I67 CarbonylContact C-O 3.58Å; K59-I67 WeakPolarHBondContact CA-O 3.44Å; I60-I67 HydrophobicContact CB-CB 4.37Å; I60-I67 PolarHBondContact N-O 3.35Å; I60-I67 PolarHBondContact O-N 3.38Å; V65-I67 HydrophobicContact CG1-CG1 4.09Å; I67-L69 HydrophobicContact CG2-CB 4.41Å
68K87.2Confident83.6Confident59 Ų5946.3 Ų46.326%0.25724%0.236SC..EExtended strand (participates in β ladder)trans-90.7108.4164.6-67.5173.6-170.4157.60107.5E20 M21 E22 L23E20-K68 WeakPolarHBondContact OE2-CE 3.36Å; E20-K68 IonicContact OE2-NZ 3.16Å; E20-K68 PolarHBondContact OE2-NZ 3.46Å; M21-K68 PolarHBondContact O-N 3.4Å; E22-K68 WeakPolarHBondContact CA-O 3.09Å; E22-K68 HydrophobicContact CG-CB 4.24Å; L23-K68 PolarHBondContact N-O 3.15Å
69L87.8Confident83.8Confident2 Ų245.8 Ų45.81%0.0123%0.234CC..EExtended strand (participates in β ladder)trans-108.9120.9-177.5-170.665.5000110.2L23 L25 V37 I40 M57 R58 I60 I67L23-L69 HydrophobicContact CB-CD1 3.58Å; L23-L69 HydrophobicContact CD1-CD1 4.34Å; L23-L69 WeakPolarHBondContact O-CA 3.34Å; L25-L69 HydrophobicContact CB-CD1 3.92Å; L25-L69 HydrophobicContact CB-CD2 4.46Å; L25-L69 HydrophobicContact CB-CG 4.19Å; L25-L69 HydrophobicContact CD2-CD2 4.24Å; V37-L69 HydrophobicContact CB-CD2 4.31Å; V37-L69 HydrophobicContact CG1-CD2 4.19Å; V37-L69 HydrophobicContact CG2-CD2 3.51Å; V37-L69 HydrophobicContact CG2-CG 4.43Å; I40-L69 HydrophobicContact CD1-CD2 3.81Å; M57-L69 WeakPolarHBondContact CA-O 3.33Å; R58-L69 PolarHBondContact N-O 2.83Å; R58-L69 PolarHBondContact O-N 3.32Å; I60-L69 HydrophobicContact CD1-CB 4.33Å; I60-L69 HydrophobicContact CD1-CD2 4.22Å; I67-L69 HydrophobicContact CG2-CB 4.41Å
70W88.7Confident84Confident51 Ų5144.8 Ų44.819%0.19324%0.243CC..EExtended strand (participates in β ladder)trans-90.9107.2172-64.899.5000110.2E22 L23 T24 L25 F55 M57 I72 Y85E22-W70 PolarHBondContact OE1-NE1 3.13Å; L23-W70 PolarHBondContact O-N 3.28Å; T24-W70 HydrophobicContact CG2-CB 4.11Å; L25-W70 PolarHBondContact N-O 3.26Å; F55-W70 HydrophobicContact CD2-CE3 4.15Å; F55-W70 AromaticContact CD2-CZ3 3.8Å; F55-W70 HydrophobicContact CD2-CZ3 3.8Å; F55-W70 HydrophobicContact CE2-CZ3 4.12Å; M57-W70 HydrophobicContact CB-CD2 4.12Å; M57-W70 HydrophobicContact CB-CE3 3.71Å; M57-W70 HydrophobicContact CB-CH2 3.9Å; M57-W70 HydrophobicContact CB-CZ2 4.29Å; M57-W70 HydrophobicContact CB-CZ3 3.6Å; M57-W70 HydrophobicContact CG-CD2 4.22Å; M57-W70 HydrophobicContact CG-CE3 4.31Å; M57-W70 HydrophobicContact CG-CH2 4.2Å; M57-W70 HydrophobicContact CG-CZ2 4.11Å; M57-W70 HydrophobicContact CG-CZ3 4.31Å; W70-I72 HydrophobicContact CB-CD1 4.01Å; W70-Y85 AromaticContact CD2-CD1 3.8Å; W70-Y85 HydrophobicContact CD2-CD1 3.8Å; W70-Y85 HydrophobicContact CD2-CE1 4.14Å; W70-Y85 AromaticContact CE3-CD1 3.72Å; W70-Y85 HydrophobicContact CE3-CD1 3.72Å; W70-Y85 AromaticContact CE3-CE1 3.62Å; W70-Y85 HydrophobicContact CE3-CE1 3.62Å; W70-Y85 HydrophobicContact CG-CD1 4.17Å; W70-Y85 HydrophobicContact CH2-CE1 4.21Å; W70-Y85 HydrophobicContact CZ3-CD1 4.19Å; W70-Y85 AromaticContact CZ3-CE1 3.66Å; W70-Y85 HydrophobicContact CZ3-CE1 3.66Å
71D86.4Confident84.2Confident3 Ų346.4 Ų46.42%0.01625%0.25CS..EExtended strand (participates in β ladder)trans-84.5109.8169.3179.127.7000109K33 T34 V37 T52 F55 N56K33-D71 WeakPolarHBondContact CB-OD1 3.23Å; T34-D71 WeakPolarHBondContact CB-OD2 3.41Å; T34-D71 PolarHBondContact OG1-OD2 2.89Å; V37-D71 HydrophobicContact CG2-CB 4.23Å; T52-D71 PolarHBondContact OG1-OD2 3.11Å; F55-D71 CarbonylContact C-O 3.59Å; F55-D71 WeakPolarHBondContact CA-O 3.43Å; N56-D71 PolarHBondContact N-O 2.86Å; N56-D71 PolarHBondContact O-N 2.94Å
72I86.6Confident84.8Confident0 Ų042.4 Ų42.40%023%0.225CC..EExtended strand (participates in β ladder)trans-103.1138.6-177.7-46.9-61.1000110.6T24 L25 V26 K33 F55 W70 G74 M81 W82 Y85T24-I72 HydrophobicContact CG2-CG1 3.94Å; L25-I72 PolarHBondContact O-N 2.79Å; V26-I72 HydrophobicContact CG1-CB 4.28Å; V26-I72 HydrophobicContact CG1-CG1 4.17Å; K33-I72 WeakPolarHBondContact CE-O 3.3Å; F55-I72 HydrophobicContact CB-CD1 3.57Å; W70-I72 HydrophobicContact CB-CD1 4.01Å; I72-G74 PolarHBondContact O-N 2.79Å; I72-M81 HydrophobicContact CG2-CE 4.43Å; I72-W82 VanDerWaalsContact CG2-CD1 3.45Å; I72-Y85 HydrophobicContact CD1-CD1 4.03Å; I72-Y85 HydrophobicContact CD1-CD2 4.01Å; I72-Y85 HydrophobicContact CD1-CG 3.7Å
73G82.8Confident85.8Confident1 Ų139.9 Ų39.91%0.0122%0.215CC..  trans-54.8134.8176.700000112.7G54 W82G54-G73 PolarHBondContact O-N 3.25Å; G73-W82 PolarHBondContact O-NE1 3.25Å; G73-W82 VanDerWaalsContact O-NE1 3.13Å
74G84.8Confident86.5Confident4 Ų445.5 Ų45.54%0.04122%0.216CC..  trans-88-5.1-177.800000115.4G27 Q29 I72 R79G27-G74 WeakPolarHBondContact O-CA 3.24Å; Q29-G74 PolarHBondContact N-O 3.47Å; I72-G74 PolarHBondContact O-N 2.79Å; G74-R79 PolarHBondContact O-NE 3.43Å; G74-R79 PolarHBondContact O-NH2 3.07Å
75Q85.9Confident87.1Confident37 Ų3743.7 Ų43.717%0.17320%0.204CC..SBendtrans-67.2145.1178.7-71.6171.612.300110.4Q29 R77 F78Q29-Q75 HydrophobicContact CG-CG 4.39Å; Q29-Q75 VanDerWaalsContact NE2-NE2 3.17Å; Q75-R77 HydrophobicContact CB-CG 4.18Å; Q75-R77 PolarHBondContact O-N 3.39Å; Q75-R77 VanDerWaalsContact O-N 3.09Å; Q75-R77 VanDerWaalsContact OE1-CZ 3.25Å; Q75-F78 HydrophobicContact CB-CD2 3.92Å; Q75-F78 HydrophobicContact CB-CE2 4.37Å; Q75-F78 PolarHBondContact O-N 2.95Å
76P86.9Confident87.8Confident93 Ų9343.3 Ų43.360%0.60420%0.202SC*.Hα-helixtrans-47.5-43-179.7-30.535.5000114.2F78 R79P76-F78 PolarHBondContact O-N 2.67Å; P76-R79 PolarHBondContact O-N 3.03Å; P76-R79 VanDerWaalsContact O-N 3.12Å
77R87.6Confident88.2Confident160 Ų16049 Ų4960%0.60422%0.223SC*.Hα-helixtrans-59.5-18.417966.9176172.6172.20.4115.3Q75Q75-R77 HydrophobicContact CB-CG 4.18Å; Q75-R77 PolarHBondContact O-N 3.39Å; Q75-R77 VanDerWaalsContact O-N 3.09Å; Q75-R77 VanDerWaalsContact OE1-CZ 3.25Å
78F86.5Confident88.3Confident27 Ų2751.6 Ų51.612%0.11825%0.25CS..Hα-helixtrans-105-8.3-178.6-62.5-45.9000113.4V53 G54 Q75 P76 S80 M81V53-F78 HydrophobicContact CG1-CE2 4.38Å; V53-F78 HydrophobicContact CG1-CZ 3.84Å; G54-F78 VanDerWaalsContact N-CZ 3.33Å; Q75-F78 HydrophobicContact CB-CD2 3.92Å; Q75-F78 HydrophobicContact CB-CE2 4.37Å; Q75-F78 PolarHBondContact O-N 2.95Å; P76-F78 PolarHBondContact O-N 2.67Å; F78-S80 VanDerWaalsContact C-N 3.28Å; F78-S80 PolarHBondContact O-N 2.84Å; F78-M81 HydrophobicContact CB-CE 3.55Å; F78-M81 HydrophobicContact CD1-CE 3.4Å; F78-M81 HydrophobicContact CE1-CE 4.38Å; F78-M81 HydrophobicContact CG-CE 3.77Å; F78-M81 WeakPolarHBondContact O-CB 3.43Å; F78-M81 PolarHBondContact O-N 2.86Å
79R87.5Confident88.6Confident57 Ų5749 Ų4922%0.21524%0.239CC..Hα-helixtrans-66.3-28.7-175.4-60.3-170.9-172.6155.62.1113.3G74 P76 M81 W82 E110G74-R79 PolarHBondContact O-NE 3.43Å; G74-R79 PolarHBondContact O-NH2 3.07Å; P76-R79 PolarHBondContact O-N 3.03Å; P76-R79 VanDerWaalsContact O-N 3.12Å; R79-M81 PolarHBondContact O-N 2.76Å; R79-M81 VanDerWaalsContact O-N 3.15Å; R79-W82 HydrophobicContact CB-CD2 4.26Å; R79-W82 HydrophobicContact CB-CZ2 4.47Å; R79-W82 HydrophobicContact CG-CD2 4.37Å; R79-W82 HydrophobicContact CG-CH2 4.11Å; R79-W82 HydrophobicContact CG-CZ2 3.7Å; R79-W82 VanDerWaalsContact O-CB 3.28Å; R79-W82 WeakPolarHBondContact O-CB 3.46Å; R79-W82 PolarHBondContact O-N 2.77Å; R79-E110 VanDerWaalsContact CD-OE1 3.24Å; R79-E110 WeakPolarHBondContact CD-OE1 3.41Å; R79-E110 WeakPolarHBondContact CD-OE2 3.2Å; R79-E110 IonicContact CZ-OE1 3.69Å; R79-E110 IonicContact NE-OE1 3.76Å; R79-E110 IonicContact NH1-OE1 2.7Å; R79-E110 PolarHBondContact NH1-OE1 2.78Å
80S87.2Confident88.8Confident99 Ų9949.5 Ų49.569%0.69224%0.243SC*.Hα-helixtrans-60.5-22.2172.358.30000113.4F78F78-S80 VanDerWaalsContact C-N 3.28Å; F78-S80 PolarHBondContact O-N 2.84Å
81M88.1Confident89.1Confident43 Ų4347 Ų4721%0.21223%0.233CC..Hα-helixtrans-80.2-21.4175.9-59.6-173.1-61.400112.6I72 F78 R79 E83 R84 Y85I72-M81 HydrophobicContact CG2-CE 4.43Å; F78-M81 HydrophobicContact CB-CE 3.55Å; F78-M81 HydrophobicContact CD1-CE 3.4Å; F78-M81 HydrophobicContact CE1-CE 4.38Å; F78-M81 HydrophobicContact CG-CE 3.77Å; F78-M81 WeakPolarHBondContact O-CB 3.43Å; F78-M81 PolarHBondContact O-N 2.86Å; R79-M81 PolarHBondContact O-N 2.76Å; R79-M81 VanDerWaalsContact O-N 3.15Å; M81-E83 VanDerWaalsContact C-N 3.32Å; M81-E83 PolarHBondContact O-N 3.41Å; M81-R84 PolarHBondContact O-N 3.48Å; M81-R84 VanDerWaalsContact O-N 3.07Å; M81-Y85 HydrophobicContact CB-CD2 4.07Å; M81-Y85 HydrophobicContact CB-CE2 4.19Å; M81-Y85 WeakPolarHBondContact O-CD2 3.42Å; M81-Y85 PolarHBondContact O-N 3.01Å; M81-Y85 VanDerWaalsContact O-N 3.1Å
82W93.3Very high89.6Confident3 Ų346.9 Ų46.91%0.01123%0.233CC..Hα-helixtrans-56.1-48-174.2-66.86.2000111.5V26 G27 I72 G73 R79 R84 Y85 C86 Y94 E110 L114V26-W82 HydrophobicContact CB-CD2 4.09Å; V26-W82 HydrophobicContact CB-CE3 4.3Å; V26-W82 HydrophobicContact CB-CG 4.37Å; V26-W82 HydrophobicContact CG1-CB 4.21Å; V26-W82 HydrophobicContact CG1-CD2 4.2Å; V26-W82 HydrophobicContact CG1-CG 3.95Å; G27-W82 WeakPolarHBondContact O-CZ2 3.43Å; I72-W82 VanDerWaalsContact CG2-CD1 3.45Å; G73-W82 PolarHBondContact O-NE1 3.25Å; G73-W82 VanDerWaalsContact O-NE1 3.13Å; R79-W82 HydrophobicContact CB-CD2 4.26Å; R79-W82 HydrophobicContact CB-CZ2 4.47Å; R79-W82 HydrophobicContact CG-CD2 4.37Å; R79-W82 HydrophobicContact CG-CH2 4.11Å; R79-W82 HydrophobicContact CG-CZ2 3.7Å; R79-W82 VanDerWaalsContact O-CB 3.28Å; R79-W82 WeakPolarHBondContact O-CB 3.46Å; R79-W82 PolarHBondContact O-N 2.77Å; W82-R84 VanDerWaalsContact C-N 3.32Å; W82-R84 PolarHBondContact O-N 3.47Å; W82-Y85 PolarHBondContact O-N 2.86Å; W82-C86 WeakPolarHBondContact O-CB 3.3Å; W82-C86 PolarHBondContact O-N 3.01Å; W82-C86 PolarHBondContact O-SG 3.27Å; W82-Y94 HydrophobicContact CZ3-CE2 4.09Å; W82-E110 HydrophobicContact CH2-CB 4.36Å; W82-E110 HydrophobicContact CZ3-CB 3.94Å; W82-L114 HydrophobicContact CB-CD1 3.92Å; W82-L114 HydrophobicContact CE3-CD2 4.33Å
83E92.8Very high90.2Very high43 Ų4346.9 Ų46.920%0.20123%0.233CC..Hα-helixtrans-55.1-48.3177.3-175.6-168.1136.800111.4M81 Y85 C86 R87 K117 Q119M81-E83 VanDerWaalsContact C-N 3.32Å; M81-E83 PolarHBondContact O-N 3.41Å; E83-Y85 VanDerWaalsContact C-N 3.34Å; E83-Y85 PolarHBondContact O-N 3.44Å; E83-C86 PolarHBondContact O-N 2.94Å; E83-R87 WeakPolarHBondContact O-CG 3.44Å; E83-R87 PolarHBondContact O-N 2.98Å; E83-R87 IonicContact OE1-CZ 3.79Å; E83-R87 IonicContact OE1-NE 3.54Å; E83-R87 IonicContact OE1-NH2 2.65Å; E83-R87 PolarHBondContact OE1-NH2 2.89Å; E83-K117 HydrophobicContact CB-CG 4.43Å; E83-K117 HydrophobicContact CG-CB 4.08Å; E83-K117 HydrophobicContact CG-CD 4.47Å; E83-K117 HydrophobicContact CG-CG 3.89Å; E83-K117 WeakPolarHBondContact OE2-CD 3.48Å; E83-K117 WeakPolarHBondContact OE2-CE 3.43Å; E83-Q119 PolarHBondContact OE1-OE1 3.08Å
84R90.8Very high90.9Very high183 Ų18346.9 Ų46.969%0.69123%0.232SC*.Hα-helixtrans-60.8-42.2-177.6-177179.7176.4-177.2-0.5112.1M81 W82M81-R84 PolarHBondContact O-N 3.48Å; M81-R84 VanDerWaalsContact O-N 3.07Å; W82-R84 VanDerWaalsContact C-N 3.32Å; W82-R84 PolarHBondContact O-N 3.47Å
85Y90.8Very high91.6Very high38 Ų3846.7 Ų46.715%0.14923%0.23CC..Hα-helixtrans-84.6-12.3-177.8-76-89.2000113.7T24 F55 W70 I72 M81 W82 E83T24-Y85 PolarHBondContact OG1-O 3.24Å; F55-Y85 HydrophobicContact CD1-CE2 4.28Å; F55-Y85 AromaticContact CD1-CZ 3.88Å; F55-Y85 VanDerWaalsContact CD1-OH 3.29Å; F55-Y85 WeakPolarHBondContact CD1-OH 3.33Å; F55-Y85 HydrophobicContact CD2-CE1 4.1Å; F55-Y85 WeakPolarHBondContact CE1-OH 3.33Å; F55-Y85 HydrophobicContact CE2-CE1 4.47Å; F55-Y85 WeakPolarHBondContact CE2-OH 3.49Å; F55-Y85 HydrophobicContact CG-CE1 4.22Å; F55-Y85 HydrophobicContact CG-CE2 4.42Å; F55-Y85 AromaticContact CG-CZ 3.82Å; F55-Y85 WeakPolarHBondContact CZ-OH 3.34Å; W70-Y85 AromaticContact CD2-CD1 3.8Å; W70-Y85 HydrophobicContact CD2-CD1 3.8Å; W70-Y85 HydrophobicContact CD2-CE1 4.14Å; W70-Y85 AromaticContact CE3-CD1 3.72Å; W70-Y85 HydrophobicContact CE3-CD1 3.72Å; W70-Y85 AromaticContact CE3-CE1 3.62Å; W70-Y85 HydrophobicContact CE3-CE1 3.62Å; W70-Y85 HydrophobicContact CG-CD1 4.17Å; W70-Y85 HydrophobicContact CH2-CE1 4.21Å; W70-Y85 HydrophobicContact CZ3-CD1 4.19Å; W70-Y85 AromaticContact CZ3-CE1 3.66Å; W70-Y85 HydrophobicContact CZ3-CE1 3.66Å; I72-Y85 HydrophobicContact CD1-CD1 4.03Å; I72-Y85 HydrophobicContact CD1-CD2 4.01Å; I72-Y85 HydrophobicContact CD1-CG 3.7Å; M81-Y85 HydrophobicContact CB-CD2 4.07Å; M81-Y85 HydrophobicContact CB-CE2 4.19Å; M81-Y85 WeakPolarHBondContact O-CD2 3.42Å; M81-Y85 PolarHBondContact O-N 3.01Å; M81-Y85 VanDerWaalsContact O-N 3.1Å; W82-Y85 PolarHBondContact O-N 2.86Å; E83-Y85 VanDerWaalsContact C-N 3.34Å; E83-Y85 PolarHBondContact O-N 3.44Å
86C93.3Very high92.1Very high0 Ų045 Ų450%022%0.223CC..Hα-helixtrans-86.2-11.3173.2-67.10000112.9W82 E83 G88 V89 I92 L120 I123W82-C86 WeakPolarHBondContact O-CB 3.3Å; W82-C86 PolarHBondContact O-N 3.01Å; W82-C86 PolarHBondContact O-SG 3.27Å; E83-C86 PolarHBondContact O-N 2.94Å; C86-G88 PolarHBondContact O-N 3.38Å; C86-V89 VanDerWaalsContact O-CG2 3.28Å; C86-V89 WeakPolarHBondContact O-CG2 3.13Å; C86-I92 HydrophobicContact CB-CD1 3.95Å; C86-I92 HydrophobicContact CB-CG1 4.16Å; C86-L120 VanDerWaalsContact C-CD2 3.46Å; C86-L120 HydrophobicContact CB-CD1 3.66Å; C86-L120 HydrophobicContact CB-CD2 3.54Å; C86-L120 HydrophobicContact CB-CG 4.28Å; C86-I123 WeakPolarHBondContact O-CD1 3.3Å
87R91.6Very high92.7Very high124 Ų12441.5 Ų41.547%0.46820%0.199SC..THydrogen-bonded Turntrans-67.5132.9-178.5-71.1176.2-168.1177.71.5111.3E83 V89 Q119 L120E83-R87 WeakPolarHBondContact O-CG 3.44Å; E83-R87 PolarHBondContact O-N 2.98Å; E83-R87 IonicContact OE1-CZ 3.79Å; E83-R87 IonicContact OE1-NE 3.54Å; E83-R87 IonicContact OE1-NH2 2.65Å; E83-R87 PolarHBondContact OE1-NH2 2.89Å; R87-V89 PolarHBondContact O-N 3.45Å; R87-Q119 HydrophobicContact CG-CB 4.04Å; R87-L120 HydrophobicContact CG-CD2 3.9Å
88G87.3Confident93.2Very high57 Ų5733.9 Ų33.959%0.58817%0.17SC*.THydrogen-bonded Turntrans71.36173.500000114.9C86 K184C86-G88 PolarHBondContact O-N 3.38Å; G88-K184 PolarHBondContact O-NZ 3.31Å
89V93Very high93.7Very high4 Ų434 Ų342%0.02418%0.176CC..  trans-73.3166.4175.3-54.40000111.6E22 T24 C86 R87 A91 I92 I123 K184E22-V89 HydrophobicContact CG-CG1 4.15Å; T24-V89 VanDerWaalsContact OG1-CG1 3.23Å; T24-V89 WeakPolarHBondContact OG1-CG1 3.48Å; C86-V89 VanDerWaalsContact O-CG2 3.28Å; C86-V89 WeakPolarHBondContact O-CG2 3.13Å; R87-V89 PolarHBondContact O-N 3.45Å; V89-A91 WeakPolarHBondContact CG2-O 3.45Å; V89-I92 HydrophobicContact CG2-CG1 4.05Å; V89-I123 HydrophobicContact CG2-CD1 4.49Å; V89-I123 HydrophobicContact CG2-CG2 4Å; V89-K184 PolarHBondContact O-NZ 2.99Å
90S92.6Very high94.2Very high12 Ų1232.7 Ų32.78%0.08417%0.173CC..SBendtrans-85.2-32.6-177.9-37.10000111.3E22E22-S90 PolarHBondContact N-OG 2.98Å; E22-S90 WeakPolarHBondContact O-CB 3.31Å; E22-S90 PolarHBondContact O-N 3.45Å; E22-S90 PolarHBondContact O-OG 3.45Å
91A95.5Very high94.4Very high0 Ų031 Ų310%016%0.16CC..EExtended strand (participates in β ladder)trans-156.7156170.200000110.2L23 V89 P124 W176L23-A91 HydrophobicContact CD2-CB 3.72Å; L23-A91 WeakPolarHBondContact CD2-O 3.36Å; V89-A91 WeakPolarHBondContact CG2-O 3.45Å; A91-P124 CarbonylContact C-O 3.46Å; A91-P124 VanDerWaalsContact CA-O 3.31Å; A91-P124 WeakPolarHBondContact CA-O 3.29Å; A91-P124 HydrophobicContact CB-CB 4.39Å; A91-W176 HydrophobicContact CB-CH2 3.93Å; A91-W176 HydrophobicContact CB-CZ3 3.68Å
92I97.3Very high94.8Very high0 Ų037.6 Ų37.60%019%0.19CC..EExtended strand (participates in β ladder)trans-99.7126.1170.7-63.5167.6000107.7V26 C86 V89 L115 L120 I123 P124 V125 L126V26-I92 HydrophobicContact CG2-CG2 3.88Å; C86-I92 HydrophobicContact CB-CD1 3.95Å; C86-I92 HydrophobicContact CB-CG1 4.16Å; V89-I92 HydrophobicContact CG2-CG1 4.05Å; I92-L115 HydrophobicContact CD1-CD2 4.32Å; I92-L120 HydrophobicContact CD1-CD1 4.27Å; I92-I123 HydrophobicContact CD1-CB 4.41Å; I92-I123 HydrophobicContact CD1-CG2 4.12Å; I92-I123 HydrophobicContact CG1-CG2 3.9Å; I92-P124 PolarHBondContact N-O 2.98Å; I92-V125 HydrophobicContact CB-CG2 4.37Å; I92-V125 WeakPolarHBondContact O-CA 3.42Å; I92-L126 PolarHBondContact O-N 3.12Å
93V97.9Very high94.9Very high0 Ų041.6 Ų41.60%021%0.208CC..EExtended strand (participates in β ladder)trans-99.4114.8169.8-174.90000108T24 L25 V26 L126 L128 L177T24-V93 PolarHBondContact O-N 2.98Å; L25-V93 WeakPolarHBondContact CA-O 3.35Å; L25-V93 HydrophobicContact CD1-CB 3.89Å; L25-V93 HydrophobicContact CD1-CG1 3.61Å; V26-V93 PolarHBondContact N-O 3.29Å; V93-L126 CarbonylContact C-O 3.59Å; V93-L126 WeakPolarHBondContact CA-O 3.31Å; V93-L128 HydrophobicContact CG1-CD1 3.43Å; V93-L128 VanDerWaalsContact CG1-CD1 3.43Å; V93-L128 HydrophobicContact CG1-CG 3.99Å; V93-L177 HydrophobicContact CG2-CD1 4.5Å; V93-L177 HydrophobicContact CG2-CD2 3.78Å
94Y98.5Very high95.1Very high0 Ų039.9 Ų39.90%020%0.2CC..EExtended strand (participates in β ladder)trans-105.9112-179.7-167-83000110.3V26 W82 V96 S107 L111 L126 V127 L128 M147V26-Y94 HydrophobicContact CG2-CD2 3.76Å; V26-Y94 HydrophobicContact CG2-CE2 4.39Å; V26-Y94 WeakPolarHBondContact O-CA 3.45Å; W82-Y94 HydrophobicContact CZ3-CE2 4.09Å; Y94-V96 HydrophobicContact CD1-CG2 3.78Å; Y94-V96 HydrophobicContact CE1-CG2 3.76Å; Y94-S107 VanDerWaalsContact CE1-OG 3.29Å; Y94-S107 WeakPolarHBondContact CE1-OG 3.28Å; Y94-S107 PolarHBondContact OH-O 3.11Å; Y94-S107 PolarHBondContact OH-OG 3.46Å; Y94-L111 HydrophobicContact CD1-CB 4.45Å; Y94-L111 HydrophobicContact CD1-CD1 4.3Å; Y94-L111 HydrophobicContact CD1-CD2 4.47Å; Y94-L111 HydrophobicContact CD2-CB 4.22Å; Y94-L111 HydrophobicContact CD2-CD1 3.57Å; Y94-L111 HydrophobicContact CD2-CG 4.45Å; Y94-L111 HydrophobicContact CE1-CB 4.11Å; Y94-L111 HydrophobicContact CE2-CB 3.84Å; Y94-L111 HydrophobicContact CE2-CD1 4.06Å; Y94-L111 HydrophobicContact CG-CD1 3.73Å; Y94-L126 PolarHBondContact N-O 3.1Å; Y94-V127 CarbonylContact O-C 3.58Å; Y94-V127 WeakPolarHBondContact O-CA 3.47Å; Y94-L128 PolarHBondContact O-N 3.16Å; Y94-M147 HydrophobicContact CD1-CE 4.45Å; Y94-M147 HydrophobicContact CE1-CE 3.99Å
95M98.4Very high95.4Very high0 Ų035.6 Ų35.60%019%0.188CC..EExtended strand (participates in β ladder)trans-95.4122.1-174.3-168.771.464.700111.8L25 V26 S31 K33 F36 L128 N130 I162L25-M95 HydrophobicContact CD1-CB 4.1Å; L25-M95 HydrophobicContact CD1-CE 3.88Å; V26-M95 PolarHBondContact O-N 2.9Å; S31-M95 VanDerWaalsContact CB-O 3.29Å; S31-M95 WeakPolarHBondContact CB-O 3.39Å; S31-M95 VanDerWaalsContact O-CG 3.29Å; S31-M95 WeakPolarHBondContact O-CG 3.26Å; S31-M95 WeakPolarHBondContact OG-CG 3.46Å; S31-M95 PolarHBondContact OG-O 2.96Å; S31-M95 VanDerWaalsContact OG-O 3.13Å; K33-M95 HydrophobicContact CG-CB 3.68Å; K33-M95 HydrophobicContact CG-CG 4.09Å; F36-M95 HydrophobicContact CB-CE 3.57Å; F36-M95 HydrophobicContact CD1-CE 3.97Å; F36-M95 HydrophobicContact CD2-CE 4Å; F36-M95 HydrophobicContact CG-CE 3.58Å; M95-L128 HydrophobicContact CE-CB 4.18Å; M95-L128 HydrophobicContact CE-CD1 3.83Å; M95-L128 HydrophobicContact SD-CB 3.78Å; M95-N130 HydrophobicContact CG-CB 4.41Å; M95-N130 HydrophobicContact SD-CB 3.53Å; M95-N130 VanDerWaalsContact SD-CB 3.53Å; M95-I162 HydrophobicContact CE-CD1 4.45Å; M95-I162 HydrophobicContact SD-CD1 4.35Å
96V98.3Very high95.7Very high2 Ų236 Ų361%0.01220%0.199CC..EExtended strand (participates in β ladder)trans-112.4141.6177.3-175.10000109.2Y94 A98 I104 V127 L128 N130 L143 M147Y94-V96 HydrophobicContact CD1-CG2 3.78Å; Y94-V96 HydrophobicContact CE1-CG2 3.76Å; V96-A98 PolarHBondContact O-N 3.15Å; V96-I104 HydrophobicContact CG1-CD1 3.47Å; V96-I104 VanDerWaalsContact CG1-CD1 3.47Å; V96-V127 HydrophobicContact CG2-CG1 3.99Å; V96-L128 PolarHBondContact N-O 2.7Å; V96-N130 PolarHBondContact O-N 3.29Å; V96-L143 HydrophobicContact CG1-CD2 4.09Å; V96-M147 HydrophobicContact CG2-CE 3.81Å; V96-M147 HydrophobicContact CG2-SD 4.33Å
97D98.1Very high96Very high20 Ų2036.1 Ų36.111%0.10720%0.2CC..EExtended strand (participates in β ladder)trans-81.8103.6165.9-169.1-14.6000108.6A99 D100 K131D97-A99 PolarHBondContact O-N 3.01Å; D97-A99 PolarHBondContact OD1-N 2.76Å; D97-A99 VanDerWaalsContact OD1-N 3.12Å; D97-D100 HydrophobicContact CB-CB 4.01Å; D97-D100 PolarHBondContact O-N 3.28Å; D97-K131 VanDerWaalsContact OD1-CD 3.3Å; D97-K131 WeakPolarHBondContact OD1-CD 3.35Å; D97-K131 IonicContact OD1-NZ 2.84Å; D97-K131 VanDerWaalsContact OD2-CE 3.25Å; D97-K131 WeakPolarHBondContact OD2-CE 3.35Å; D97-K131 IonicContact OD2-NZ 2.79Å; D97-K131 PolarHBondContact OD2-NZ 3.31Å
98A98.2Very high96.3Very high0 Ų032.1 Ų32.10%019%0.186CC..THydrogen-bonded Turntrans-70.6-19-177.700000112.2V96 N130 A137 L138 L143V96-A98 PolarHBondContact O-N 3.15Å; A98-N130 VanDerWaalsContact CB-O 3.3Å; A98-N130 WeakPolarHBondContact CB-O 3.44Å; A98-N130 PolarHBondContact N-O 3.09Å; A98-A137 HydrophobicContact CB-CB 4.26Å; A98-A137 WeakPolarHBondContact O-CA 3.42Å; A98-L138 HydrophobicContact CB-CB 4.35Å; A98-L138 PolarHBondContact O-N 3.1Å; A98-L143 HydrophobicContact CB-CD1 4.33Å
99A97.8Very high96.8Very high30 Ų3032.8 Ų32.825%0.24818%0.176CC..THydrogen-bonded Turntrans-935.3-179.500000113.5D97 P101 K131 L134 A137D97-A99 PolarHBondContact O-N 3.01Å; D97-A99 PolarHBondContact OD1-N 2.76Å; D97-A99 VanDerWaalsContact OD1-N 3.12Å; A99-P101 WeakPolarHBondContact O-CD 3.33Å; A99-K131 HydrophobicContact CB-CB 4.25Å; A99-L134 HydrophobicContact CB-CB 3.75Å; A99-L134 HydrophobicContact CB-CD1 3.69Å; A99-L134 HydrophobicContact CB-CG 4.3Å; A99-A137 HydrophobicContact CB-CB 4.11Å
100D96.9Very high97Very high29 Ų2934.8 Ų34.816%0.15519%0.185CC..  trans-12279178.6-170-14000111.4D97 E102 K103D97-D100 HydrophobicContact CB-CB 4.01Å; D97-D100 PolarHBondContact O-N 3.28Å; D100-E102 PolarHBondContact O-N 3.07Å; D100-K103 PolarHBondContact O-N 3.19Å; D100-K103 WeakPolarHBondContact OD2-CD 3.38Å; D100-K103 VanDerWaalsContact OD2-CE 3.24Å; D100-K103 WeakPolarHBondContact OD2-CE 3.39Å; D100-K103 WeakPolarHBondContact OD2-CG 3.47Å; D100-K103 IonicContact OD2-NZ 2.66Å; D100-K103 PolarHBondContact OD2-NZ 3.21Å
101P91.8Very high97.3Very high64 Ų6434.2 Ų34.242%0.41618%0.181SC..Hα-helixtrans-58.3-30.3-176.8-26.135.5000114.3A99 K103 I104A99-P101 WeakPolarHBondContact O-CD 3.33Å; P101-K103 PolarHBondContact O-N 2.94Å; P101-I104 WeakPolarHBondContact O-CB 3.28Å; P101-I104 PolarHBondContact O-N 3.06Å
102E95.9Very high97.4Very high180 Ų18036 Ų3684%0.84119%0.189SC*.Hα-helixtrans-65.3-29.2-178-61.8-175.4173.900111.9D100D100-E102 PolarHBondContact O-N 3.07Å
103K96.1Very high97.4Very high88 Ų8840.1 Ų40.138%0.38321%0.211SC..Hα-helixtrans-92-7-179.7-66.7-170.6-170.61240114.1L28 D100 P101 E105 A106 S107L28-K103 HydrophobicContact CD1-CB 4.01Å; D100-K103 PolarHBondContact O-N 3.19Å; D100-K103 WeakPolarHBondContact OD2-CD 3.38Å; D100-K103 VanDerWaalsContact OD2-CE 3.24Å; D100-K103 WeakPolarHBondContact OD2-CE 3.39Å; D100-K103 WeakPolarHBondContact OD2-CG 3.47Å; D100-K103 IonicContact OD2-NZ 2.66Å; D100-K103 PolarHBondContact OD2-NZ 3.21Å; P101-K103 PolarHBondContact O-N 2.94Å; K103-E105 PolarHBondContact O-N 2.85Å; K103-A106 PolarHBondContact O-N 2.85Å; K103-S107 WeakPolarHBondContact O-CB 3.32Å; K103-S107 PolarHBondContact O-N 3.45Å
104I97.4Very high97.4Very high6 Ų640.6 Ų40.63%0.03121%0.214CC..Hα-helixtrans-60.2-46.1-176.9-65.6-65.5000111.3V96 P101 A106 S107 K108 L138 L143 R146 M147V96-I104 HydrophobicContact CG1-CD1 3.47Å; V96-I104 VanDerWaalsContact CG1-CD1 3.47Å; P101-I104 WeakPolarHBondContact O-CB 3.28Å; P101-I104 PolarHBondContact O-N 3.06Å; I104-A106 PolarHBondContact O-N 2.83Å; I104-S107 WeakPolarHBondContact O-CB 3.13Å; I104-S107 PolarHBondContact O-N 2.82Å; I104-S107 VanDerWaalsContact O-N 3.13Å; I104-K108 WeakPolarHBondContact O-CB 3.23Å; I104-K108 PolarHBondContact O-N 2.85Å; I104-L138 HydrophobicContact CD1-CD1 3.81Å; I104-L138 HydrophobicContact CG1-CD1 3.84Å; I104-L143 HydrophobicContact CD1-CD2 4.26Å; I104-R146 HydrophobicContact CG2-CB 3.77Å; I104-M147 HydrophobicContact CG2-SD 4.01Å
105E97.8Very high97.3Very high93 Ų9341 Ų4144%0.43522%0.216SC..Hα-helixtrans-64.7-41.7-179.6-175.158.5-154.700111.9K103 S107 K108 N109K103-E105 PolarHBondContact O-N 2.85Å; E105-S107 VanDerWaalsContact C-N 3.3Å; E105-S107 PolarHBondContact O-N 3.43Å; E105-K108 WeakPolarHBondContact O-CB 3.36Å; E105-K108 PolarHBondContact O-N 3.03Å; E105-K108 WeakPolarHBondContact OE1-CE 3.45Å; E105-K108 IonicContact OE1-NZ 3.47Å; E105-K108 PolarHBondContact OE1-NZ 3.33Å; E105-K108 IonicContact OE2-NZ 2.77Å; E105-K108 PolarHBondContact OE2-NZ 3.22Å; E105-N109 VanDerWaalsContact O-CG 3.28Å; E105-N109 PolarHBondContact O-N 3.39Å; E105-N109 PolarHBondContact O-ND2 3.01Å; E105-N109 VanDerWaalsContact O-ND2 3.12Å; E105-N109 PolarHBondContact OE1-ND2 2.84Å
106A96.8Very high97.2Very high46 Ų4646.6 Ų46.638%0.3825%0.246SC..Hα-helixtrans-63-39.4174.100000111.6L28 K103 I104 E110L28-A106 HydrophobicContact CD1-CB 4.27Å; K103-A106 PolarHBondContact O-N 2.85Å; I104-A106 PolarHBondContact O-N 2.83Å; A106-E110 WeakPolarHBondContact O-CG 3.32Å; A106-E110 PolarHBondContact O-N 2.84Å; A106-E110 VanDerWaalsContact O-N 3.16Å
107S97.9Very high97.1Very high3 Ų350.3 Ų50.32%0.02126%0.262CS..Hα-helixtrans-67.7-42.3178.1-155.70000111.4Y94 K103 I104 E105 E110 L111Y94-S107 VanDerWaalsContact CE1-OG 3.29Å; Y94-S107 WeakPolarHBondContact CE1-OG 3.28Å; Y94-S107 PolarHBondContact OH-O 3.11Å; Y94-S107 PolarHBondContact OH-OG 3.46Å; K103-S107 WeakPolarHBondContact O-CB 3.32Å; K103-S107 PolarHBondContact O-N 3.45Å; I104-S107 WeakPolarHBondContact O-CB 3.13Å; I104-S107 PolarHBondContact O-N 2.82Å; I104-S107 VanDerWaalsContact O-N 3.13Å; E105-S107 VanDerWaalsContact C-N 3.3Å; E105-S107 PolarHBondContact O-N 3.43Å; S107-E110 PolarHBondContact O-N 3Å; S107-L111 PolarHBondContact O-N 2.71Å
108K98.5Very high97Very high41 Ų4153.9 Ų53.918%0.17829%0.286CS..Hα-helixtrans-54.5-54.8173.8-178.1-175.8103.7-157.40110.4I104 E105 E110 L111 H112 R146 M147 N148I104-K108 WeakPolarHBondContact O-CB 3.23Å; I104-K108 PolarHBondContact O-N 2.85Å; E105-K108 WeakPolarHBondContact O-CB 3.36Å; E105-K108 PolarHBondContact O-N 3.03Å; E105-K108 WeakPolarHBondContact OE1-CE 3.45Å; E105-K108 IonicContact OE1-NZ 3.47Å; E105-K108 PolarHBondContact OE1-NZ 3.33Å; E105-K108 IonicContact OE2-NZ 2.77Å; E105-K108 PolarHBondContact OE2-NZ 3.22Å; K108-E110 VanDerWaalsContact C-N 3.28Å; K108-E110 PolarHBondContact O-N 2.89Å; K108-L111 WeakPolarHBondContact O-CB 3.35Å; K108-L111 PolarHBondContact O-N 3.21Å; K108-H112 PolarHBondContact O-CD2 3.04Å; K108-H112 VanDerWaalsContact O-CD2 3.24Å; K108-H112 PolarHBondContact O-N 2.71Å; K108-R146 VanDerWaalsContact CD-O 3.23Å; K108-R146 WeakPolarHBondContact CD-O 3.49Å; K108-M147 HydrophobicContact CB-CE 4.4Å; K108-M147 HydrophobicContact CB-SD 3.96Å; K108-M147 WeakPolarHBondContact CG-O 3.34Å; K108-N148 HydrophobicContact CD-CB 4.19Å
109N97.8Very high96.8Very high71 Ų7158.5 Ų58.538%0.3831%0.307SS..Hα-helixtrans-59.4-39.8-177.3-67.6-28.7000112.1E105 N113E105-N109 VanDerWaalsContact O-CG 3.28Å; E105-N109 PolarHBondContact O-N 3.39Å; E105-N109 PolarHBondContact O-ND2 3.01Å; E105-N109 VanDerWaalsContact O-ND2 3.12Å; E105-N109 PolarHBondContact OE1-ND2 2.84Å; N109-N113 WeakPolarHBondContact O-CB 3.09Å; N109-N113 PolarHBondContact O-N 3.37Å; N109-N113 PolarHBondContact O-ND2 2.79Å; N109-N113 VanDerWaalsContact O-ND2 3.12Å
110E97.8Very high96.7Very high45 Ų4557 Ų5721%0.2130%0.296CS..Hα-helixtrans-68.8-35.3175.7-70.2-6917600113.6L28 R79 W82 A106 S107 K108 L114L28-E110 HydrophobicContact CD2-CG 4.16Å; R79-E110 VanDerWaalsContact CD-OE1 3.24Å; R79-E110 WeakPolarHBondContact CD-OE1 3.41Å; R79-E110 WeakPolarHBondContact CD-OE2 3.2Å; R79-E110 IonicContact CZ-OE1 3.69Å; R79-E110 IonicContact NE-OE1 3.76Å; R79-E110 IonicContact NH1-OE1 2.7Å; R79-E110 PolarHBondContact NH1-OE1 2.78Å; W82-E110 HydrophobicContact CH2-CB 4.36Å; W82-E110 HydrophobicContact CZ3-CB 3.94Å; A106-E110 WeakPolarHBondContact O-CG 3.32Å; A106-E110 PolarHBondContact O-N 2.84Å; A106-E110 VanDerWaalsContact O-N 3.16Å; S107-E110 PolarHBondContact O-N 3Å; K108-E110 VanDerWaalsContact C-N 3.28Å; K108-E110 PolarHBondContact O-N 2.89Å; E110-L114 VanDerWaalsContact O-CB 3.31Å; E110-L114 WeakPolarHBondContact O-CB 3.37Å; E110-L114 PolarHBondContact O-N 2.84Å; E110-L114 VanDerWaalsContact O-N 3.1Å
111L98.3Very high96.6Very high0 Ų062.5 Ų62.50%032%0.32CS..Hα-helixtrans-63.7-53.8173.1174.462.2000110.5Y94 S107 K108 N113 L114 L115 V125 V127 M147 L149 I152Y94-L111 HydrophobicContact CD1-CB 4.45Å; Y94-L111 HydrophobicContact CD1-CD1 4.3Å; Y94-L111 HydrophobicContact CD1-CD2 4.47Å; Y94-L111 HydrophobicContact CD2-CB 4.22Å; Y94-L111 HydrophobicContact CD2-CD1 3.57Å; Y94-L111 HydrophobicContact CD2-CG 4.45Å; Y94-L111 HydrophobicContact CE1-CB 4.11Å; Y94-L111 HydrophobicContact CE2-CB 3.84Å; Y94-L111 HydrophobicContact CE2-CD1 4.06Å; Y94-L111 HydrophobicContact CG-CD1 3.73Å; S107-L111 PolarHBondContact O-N 2.71Å; K108-L111 WeakPolarHBondContact O-CB 3.35Å; K108-L111 PolarHBondContact O-N 3.21Å; L111-N113 PolarHBondContact O-N 2.85Å; L111-L114 WeakPolarHBondContact O-CB 3.33Å; L111-L114 PolarHBondContact O-N 3.24Å; L111-L114 VanDerWaalsContact O-N 3.12Å; L111-L115 HydrophobicContact CD1-CD1 3.73Å; L111-L115 HydrophobicContact CD1-CD2 4.41Å; L111-L115 HydrophobicContact CD1-CG 3.96Å; L111-L115 HydrophobicContact CG-CD1 4.07Å; L111-L115 HydrophobicContact CG-CG 4.5Å; L111-L115 WeakPolarHBondContact O-CG 3.44Å; L111-L115 PolarHBondContact O-N 3.27Å; L111-V125 HydrophobicContact CD1-CG1 4.41Å; L111-V127 HydrophobicContact CD2-CG2 4.15Å; L111-M147 HydrophobicContact CB-CE 4.29Å; L111-M147 HydrophobicContact CD2-CE 3.87Å; L111-L149 HydrophobicContact CD2-CD2 3.7Å; L111-I152 HydrophobicContact CD2-CD1 4.39Å
112H98.3Very high96.7Very high38 Ų3861.5 Ų61.518%0.17632%0.321CS..Hα-helixtrans-60.8-45.5-179-76.3-96.3000111.2K108 L114 L115 D116 M147 N148K108-H112 PolarHBondContact O-CD2 3.04Å; K108-H112 VanDerWaalsContact O-CD2 3.24Å; K108-H112 PolarHBondContact O-N 2.71Å; H112-L114 PolarHBondContact O-N 2.73Å; H112-L115 PolarHBondContact O-N 3.03Å; H112-L115 VanDerWaalsContact O-N 3.08Å; H112-D116 VanDerWaalsContact O-CG 3.31Å; H112-D116 PolarHBondContact O-N 3.14Å; H112-M147 PolarHBondContact NE2-O 2.84Å; H112-N148 PolarHBondContact CE1-O 3.34Å
113N97.1Very high96.8Very high87 Ų8753.8 Ų53.847%0.46529%0.286SS..Hα-helixtrans-59.2-32.6175.2-74.5-22000113.9N109 L111 K117N109-N113 WeakPolarHBondContact O-CB 3.09Å; N109-N113 PolarHBondContact O-N 3.37Å; N109-N113 PolarHBondContact O-ND2 2.79Å; N109-N113 VanDerWaalsContact O-ND2 3.12Å; L111-N113 PolarHBondContact O-N 2.85Å; N113-K117 WeakPolarHBondContact O-CE 3.48Å
114L97.1Very high96.8Very high9 Ų950.8 Ų50.85%0.04728%0.276CS..Hα-helixtrans-73-42.8175.617966.3000110.9V26 W82 E110 L111 H112 D116 K117 L120V26-L114 HydrophobicContact CG2-CD2 3.89Å; W82-L114 HydrophobicContact CB-CD1 3.92Å; W82-L114 HydrophobicContact CE3-CD2 4.33Å; E110-L114 VanDerWaalsContact O-CB 3.31Å; E110-L114 WeakPolarHBondContact O-CB 3.37Å; E110-L114 PolarHBondContact O-N 2.84Å; E110-L114 VanDerWaalsContact O-N 3.1Å; L111-L114 WeakPolarHBondContact O-CB 3.33Å; L111-L114 PolarHBondContact O-N 3.24Å; L111-L114 VanDerWaalsContact O-N 3.12Å; H112-L114 PolarHBondContact O-N 2.73Å; L114-D116 VanDerWaalsContact C-N 3.33Å; L114-K117 WeakPolarHBondContact O-CB 3.23Å; L114-K117 WeakPolarHBondContact O-CG 3.46Å; L114-K117 PolarHBondContact O-N 2.94Å; L114-L120 HydrophobicContact CD1-CD1 3.58Å; L114-L120 HydrophobicContact CG-CD1 3.91Å; L114-L120 WeakPolarHBondContact O-CD1 3.43Å
115L97.5Very high96.9Very high8 Ų850.5 Ų50.54%0.04227%0.274CS..Hα-helixtrans-75.6-23.2-176.5-59.6-177.4000113.1I92 L111 H112 K117 V125 I152 R155I92-L115 HydrophobicContact CD1-CD2 4.32Å; L111-L115 HydrophobicContact CD1-CD1 3.73Å; L111-L115 HydrophobicContact CD1-CD2 4.41Å; L111-L115 HydrophobicContact CD1-CG 3.96Å; L111-L115 HydrophobicContact CG-CD1 4.07Å; L111-L115 HydrophobicContact CG-CG 4.5Å; L111-L115 WeakPolarHBondContact O-CG 3.44Å; L111-L115 PolarHBondContact O-N 3.27Å; H112-L115 PolarHBondContact O-N 3.03Å; H112-L115 VanDerWaalsContact O-N 3.08Å; L115-K117 PolarHBondContact O-N 3.06Å; L115-K117 VanDerWaalsContact O-N 3.15Å; L115-V125 HydrophobicContact CD1-CG2 4.17Å; L115-V125 HydrophobicContact CD2-CG2 3.63Å; L115-I152 HydrophobicContact CD1-CD1 3.57Å; L115-I152 HydrophobicContact CD1-CG1 4.19Å; L115-I152 HydrophobicContact CD1-CG2 4.09Å; L115-R155 PolarHBondContact O-NH2 2.95Å
116D96.6Very high96.9Very high119 Ų11946.1 Ų46.164%0.63625%0.253SS*.THydrogen-bonded Turntrans-64.5-10.5170.7-76.9-8000113.5H112 L114 P118H112-D116 VanDerWaalsContact O-CG 3.31Å; H112-D116 PolarHBondContact O-N 3.14Å; L114-D116 VanDerWaalsContact C-N 3.33Å; D116-P118 VanDerWaalsContact O-CD 3.31Å; D116-P118 WeakPolarHBondContact O-CD 3.39Å
117K96.1Very high97Very high79 Ų7943.9 Ų43.934%0.34324%0.235SC..  trans-73118.6179.2-58.5-54.6-177.1-1650110.4E83 N113 L114 L115 Q119 L120E83-K117 HydrophobicContact CB-CG 4.43Å; E83-K117 HydrophobicContact CG-CB 4.08Å; E83-K117 HydrophobicContact CG-CD 4.47Å; E83-K117 HydrophobicContact CG-CG 3.89Å; E83-K117 WeakPolarHBondContact OE2-CD 3.48Å; E83-K117 WeakPolarHBondContact OE2-CE 3.43Å; N113-K117 WeakPolarHBondContact O-CE 3.48Å; L114-K117 WeakPolarHBondContact O-CB 3.23Å; L114-K117 WeakPolarHBondContact O-CG 3.46Å; L114-K117 PolarHBondContact O-N 2.94Å; L115-K117 PolarHBondContact O-N 3.06Å; L115-K117 VanDerWaalsContact O-N 3.15Å; K117-Q119 PolarHBondContact O-N 3.45Å; K117-L120 HydrophobicContact CB-CD1 4.25Å; K117-L120 HydrophobicContact CB-CG 4.1Å; K117-L120 PolarHBondContact O-N 3.21Å
118P94.6Very high97Very high95 Ų9543.8 Ų43.862%0.61723%0.234SC*.G310 helixtrans-58.4-28.9-177.7-25.834.9000113.6D116 L120 Q121D116-P118 VanDerWaalsContact O-CD 3.31Å; D116-P118 WeakPolarHBondContact O-CD 3.39Å; P118-L120 PolarHBondContact O-N 2.93Å; P118-Q121 WeakPolarHBondContact O-CB 3.28Å; P118-Q121 PolarHBondContact O-N 3.29Å
119Q93.9Very high97Very high97 Ų9741.8 Ų41.845%0.45323%0.226SC..G310 helixtrans-70.2-11.9179.8-52.582.93.400113.2E83 R87 K117E83-Q119 PolarHBondContact OE1-OE1 3.08Å; R87-Q119 HydrophobicContact CG-CB 4.04Å; K117-Q119 PolarHBondContact O-N 3.45Å
120L96.1Very high97.1Very high0 Ų038.7 Ų38.70%021%0.209CC..G310 helixtrans-108.87.6180-53-171.8000112.5C86 R87 I92 L114 K117 P118 G122 I123 R155C86-L120 VanDerWaalsContact C-CD2 3.46Å; C86-L120 HydrophobicContact CB-CD1 3.66Å; C86-L120 HydrophobicContact CB-CD2 3.54Å; C86-L120 HydrophobicContact CB-CG 4.28Å; R87-L120 HydrophobicContact CG-CD2 3.9Å; I92-L120 HydrophobicContact CD1-CD1 4.27Å; L114-L120 HydrophobicContact CD1-CD1 3.58Å; L114-L120 HydrophobicContact CG-CD1 3.91Å; L114-L120 WeakPolarHBondContact O-CD1 3.43Å; K117-L120 HydrophobicContact CB-CD1 4.25Å; K117-L120 HydrophobicContact CB-CG 4.1Å; K117-L120 PolarHBondContact O-N 3.21Å; P118-L120 PolarHBondContact O-N 2.93Å; L120-G122 PolarHBondContact O-N 3.2Å; L120-I123 HydrophobicContact CB-CD1 4.29Å; L120-I123 HydrophobicContact CD2-CD1 4.12Å; L120-I123 WeakPolarHBondContact O-CG1 3.31Å; L120-I123 PolarHBondContact O-N 3.42Å; L120-R155 PolarHBondContact O-NH1 3.16Å
121Q95Very high97.1Very high143 Ų14339 Ų3967%0.66821%0.21SC*.THydrogen-bonded Turntrans-56.2135.9-176.7-171.9176.15.400111.6P118 I123P118-Q121 WeakPolarHBondContact O-CB 3.28Å; P118-Q121 PolarHBondContact O-N 3.29Å; Q121-I123 PolarHBondContact O-N 2.89Å; Q121-I123 VanDerWaalsContact O-N 3.15Å
122G94.6Very high97Very high43 Ų4344.6 Ų44.644%0.44323%0.231SC..THydrogen-bonded Turntrans73-4.7176.400000115.9L120 P124L120-G122 PolarHBondContact O-N 3.2Å; G122-P124 WeakPolarHBondContact O-CD 3.35Å
123I96.6Very high96.9Very high19 Ų1945.5 Ų45.510%0.09724%0.237CC..  trans-68.9123.4176-58.2178.7000109C86 V89 I92 L120 Q121 R155C86-I123 WeakPolarHBondContact O-CD1 3.3Å; V89-I123 HydrophobicContact CG2-CD1 4.49Å; V89-I123 HydrophobicContact CG2-CG2 4Å; I92-I123 HydrophobicContact CD1-CB 4.41Å; I92-I123 HydrophobicContact CD1-CG2 4.12Å; I92-I123 HydrophobicContact CG1-CG2 3.9Å; L120-I123 HydrophobicContact CB-CD1 4.29Å; L120-I123 HydrophobicContact CD2-CD1 4.12Å; L120-I123 WeakPolarHBondContact O-CG1 3.31Å; L120-I123 PolarHBondContact O-N 3.42Å; Q121-I123 PolarHBondContact O-N 2.89Å; Q121-I123 VanDerWaalsContact O-N 3.15Å; I123-R155 WeakPolarHBondContact O-CD 3.4Å; I123-R155 PolarHBondContact O-NH1 2.94Å
124P97.6Very high96.9Very high25 Ų2544.8 Ų44.816%0.16223%0.233CC..  trans-58.6145.1177.6-25.234.7000112.9A91 I92 G122 E156 W176A91-P124 CarbonylContact C-O 3.46Å; A91-P124 VanDerWaalsContact CA-O 3.31Å; A91-P124 WeakPolarHBondContact CA-O 3.29Å; A91-P124 HydrophobicContact CB-CB 4.39Å; I92-P124 PolarHBondContact N-O 2.98Å; G122-P124 WeakPolarHBondContact O-CD 3.35Å; P124-E156 WeakPolarHBondContact CA-O 3.43Å; P124-E156 HydrophobicContact CB-CB 4.3Å; P124-W176 HydrophobicContact CB-CH2 3.88Å; P124-W176 HydrophobicContact CB-CZ2 4.29Å
125V98.3Very high96.9Very high0 Ų050.4 Ų50.40%027%0.27CS..EExtended strand (participates in β ladder)trans-122.7129.2-177.9-1790000110.8I92 L111 L115 V127 E156 I157 C158I92-V125 HydrophobicContact CB-CG2 4.37Å; I92-V125 WeakPolarHBondContact O-CA 3.42Å; L111-V125 HydrophobicContact CD1-CG1 4.41Å; L115-V125 HydrophobicContact CD1-CG2 4.17Å; L115-V125 HydrophobicContact CD2-CG2 3.63Å; V125-V127 HydrophobicContact CG1-CG2 4.07Å; V125-E156 PolarHBondContact N-O 3.46Å; V125-I157 HydrophobicContact CB-CD1 4.3Å; V125-I157 HydrophobicContact CB-CG1 4.08Å; V125-I157 HydrophobicContact CG1-CD1 4.22Å; V125-I157 HydrophobicContact CG1-CG1 4.27Å; V125-I157 WeakPolarHBondContact O-CA 3.42Å; V125-C158 PolarHBondContact O-N 2.65Å
126L98.4Very high96.8Very high0 Ų053.1 Ų53.10%030%0.3CS..EExtended strand (participates in β ladder)trans-111.4112168.2-178.862.6000109.7I92 V93 Y94 L128 C158 Y160 T173 W176 L177I92-L126 PolarHBondContact O-N 3.12Å; V93-L126 CarbonylContact C-O 3.59Å; V93-L126 WeakPolarHBondContact CA-O 3.31Å; Y94-L126 PolarHBondContact N-O 3.1Å; L126-L128 HydrophobicContact CD1-CD2 4.23Å; L126-L128 HydrophobicContact CD2-CD2 3.9Å; L126-L128 HydrophobicContact CD2-CG 4.39Å; L126-L128 HydrophobicContact CG-CD2 3.8Å; L126-L128 HydrophobicContact CG-CG 4.18Å; L126-C158 HydrophobicContact CD1-CB 3.85Å; L126-Y160 HydrophobicContact CD1-CD2 3.81Å; L126-Y160 HydrophobicContact CD1-CE2 3.97Å; L126-Y160 HydrophobicContact CD1-CG 4.42Å; L126-T173 HydrophobicContact CD2-CG2 3.93Å; L126-W176 HydrophobicContact CB-CD2 4.37Å; L126-W176 HydrophobicContact CB-CE3 3.86Å; L126-W176 HydrophobicContact CB-CH2 3.91Å; L126-W176 HydrophobicContact CB-CZ2 4.4Å; L126-W176 HydrophobicContact CB-CZ3 3.62Å; L126-W176 HydrophobicContact CD1-CD2 4.25Å; L126-W176 HydrophobicContact CD1-CE3 4.48Å; L126-W176 HydrophobicContact CD2-CD2 4.14Å; L126-W176 HydrophobicContact CD2-CE3 3.71Å; L126-W176 HydrophobicContact CD2-CZ3 4.27Å; L126-W176 HydrophobicContact CG-CD2 4.5Å; L126-W176 HydrophobicContact CG-CE3 4.23Å; L126-W176 HydrophobicContact CG-CZ3 4.47Å; L126-L177 HydrophobicContact CD2-CD2 4.36Å; L126-L177 HydrophobicContact CD2-CG 4.48Å
127V98.7Very high96.8Very high0 Ų048.5 Ų48.50%028%0.278CS..EExtended strand (participates in β ladder)trans-87.9123.3174.1-177.20000109Y94 V96 L111 V125 L149 I157 C158 C159 Y160Y94-V127 CarbonylContact O-C 3.58Å; Y94-V127 WeakPolarHBondContact O-CA 3.47Å; V96-V127 HydrophobicContact CG2-CG1 3.99Å; L111-V127 HydrophobicContact CD2-CG2 4.15Å; V125-V127 HydrophobicContact CG1-CG2 4.07Å; V127-L149 HydrophobicContact CB-CD1 4.17Å; V127-L149 HydrophobicContact CG1-CD1 4.4Å; V127-L149 HydrophobicContact CG2-CD1 3.98Å; V127-L149 HydrophobicContact CG2-CD2 4.09Å; V127-I157 HydrophobicContact CG2-CD1 4.24Å; V127-I157 HydrophobicContact CG2-CG1 4.4Å; V127-C158 PolarHBondContact N-O 3.06Å; V127-C159 HydrophobicContact CB-CB 4.33Å; V127-C159 CarbonylContact O-C 3.43Å; V127-C159 VanDerWaalsContact O-CA 3.25Å; V127-C159 WeakPolarHBondContact O-CA 3.3Å; V127-Y160 PolarHBondContact O-N 2.87Å
128L98.8Very high96.9Very high0 Ų045 Ų450%026%0.263CS..EExtended strand (participates in β ladder)trans-112.1111.1178.2-61.9179.1000109.6F36 V93 Y94 M95 V96 L126 N130 Y160 I162 T173F36-L128 HydrophobicContact CD2-CD1 4.49Å; F36-L128 HydrophobicContact CE1-CD1 4.48Å; F36-L128 HydrophobicContact CE2-CD1 3.99Å; F36-L128 HydrophobicContact CZ-CD1 3.99Å; V93-L128 HydrophobicContact CG1-CD1 3.43Å; V93-L128 VanDerWaalsContact CG1-CD1 3.43Å; V93-L128 HydrophobicContact CG1-CG 3.99Å; Y94-L128 PolarHBondContact O-N 3.16Å; M95-L128 HydrophobicContact CE-CB 4.18Å; M95-L128 HydrophobicContact CE-CD1 3.83Å; M95-L128 HydrophobicContact SD-CB 3.78Å; V96-L128 PolarHBondContact N-O 2.7Å; L126-L128 HydrophobicContact CD1-CD2 4.23Å; L126-L128 HydrophobicContact CD2-CD2 3.9Å; L126-L128 HydrophobicContact CD2-CG 4.39Å; L126-L128 HydrophobicContact CG-CD2 3.8Å; L126-L128 HydrophobicContact CG-CG 4.18Å; L128-N130 PolarHBondContact O-N 3.01Å; L128-Y160 WeakPolarHBondContact CA-O 3.48Å; L128-Y160 HydrophobicContact CD2-CD2 4.37Å; L128-I162 HydrophobicContact CB-CD1 3.97Å; L128-I162 HydrophobicContact CB-CG1 4.38Å; L128-I162 HydrophobicContact CD1-CD1 3.99Å; L128-I162 HydrophobicContact CD2-CD1 4.47Å; L128-I162 HydrophobicContact CD2-CG2 4.1Å; L128-I162 HydrophobicContact CG-CD1 4.37Å; L128-T173 HydrophobicContact CD1-CG2 3.81Å; L128-T173 HydrophobicContact CD2-CG2 4.02Å
129G98.5Very high97Very high0 Ų043.7 Ų43.70%025%0.251CS..EExtended strand (participates in β ladder)trans-80.395.7167.700000110.2Y160 S161 I162G129-Y160 PolarHBondContact N-O 3.38Å; G129-S161 CarbonylContact O-C 3.58Å; G129-S161 WeakPolarHBondContact O-CA 3.33Å; G129-I162 PolarHBondContact O-N 3.12Å
130N98.4Very high97.1Very high6 Ų643.1 Ų43.13%0.03225%0.248CC..EExtended strand (participates in β ladder)trans-88.1165.8-176.5-175.338.2000112.3S31 M95 V96 A98 L128 I162 C164S31-N130 PolarHBondContact O-ND2 2.9Å; M95-N130 HydrophobicContact CG-CB 4.41Å; M95-N130 HydrophobicContact SD-CB 3.53Å; M95-N130 VanDerWaalsContact SD-CB 3.53Å; V96-N130 PolarHBondContact O-N 3.29Å; A98-N130 VanDerWaalsContact CB-O 3.3Å; A98-N130 WeakPolarHBondContact CB-O 3.44Å; A98-N130 PolarHBondContact N-O 3.09Å; L128-N130 PolarHBondContact O-N 3.01Å; N130-I162 CarbonylContact C-O 3.59Å; N130-I162 WeakPolarHBondContact CA-O 3.36Å; N130-I162 HydrophobicContact CB-CD1 4.35Å; N130-I162 HydrophobicContact CB-CG1 4.01Å; N130-C164 PolarHBondContact OD1-N 3.33Å; N130-C164 PolarHBondContact OD1-SG 3.03Å
131K97.7Very high97.2Very high51 Ų5150.9 Ų50.922%0.22228%0.282CS..  trans69.132.8-177.6-42.5-169.7-164170.20114Y30 D97 A99 D133 L134 A137 I162Y30-K131 WeakPolarHBondContact O-CE 3.48Å; Y30-K131 PolarHBondContact O-NZ 2.84Å; D97-K131 VanDerWaalsContact OD1-CD 3.3Å; D97-K131 WeakPolarHBondContact OD1-CD 3.35Å; D97-K131 IonicContact OD1-NZ 2.84Å; D97-K131 VanDerWaalsContact OD2-CE 3.25Å; D97-K131 WeakPolarHBondContact OD2-CE 3.35Å; D97-K131 IonicContact OD2-NZ 2.79Å; D97-K131 PolarHBondContact OD2-NZ 3.31Å; A99-K131 HydrophobicContact CB-CB 4.25Å; K131-D133 WeakPolarHBondContact CA-OD1 3.19Å; K131-D133 PolarHBondContact O-N 3.41Å; K131-D133 VanDerWaalsContact O-N 3.09Å; K131-L134 HydrophobicContact CB-CD1 3.91Å; K131-L134 HydrophobicContact CB-CG 4.22Å; K131-L134 HydrophobicContact CD-CD1 4.01Å; K131-L134 WeakPolarHBondContact O-CB 3.32Å; K131-L134 PolarHBondContact O-N 2.84Å; K131-A137 WeakPolarHBondContact O-CB 3.29Å; K131-I162 PolarHBondContact N-O 3.32Å
132R97.3Very high97.3Very high118 Ų11847.6 Ų47.645%0.44527%0.267SS..THydrogen-bonded Turntrans-55.2-24173.4-172.2-173.8-176161.61.4113.6L134 S161 I162 N169R132-L134 PolarHBondContact O-N 3.13Å; R132-S161 VanDerWaalsContact CD-OG 3.26Å; R132-S161 WeakPolarHBondContact CD-OG 3.28Å; R132-S161 WeakPolarHBondContact CG-OG 3.41Å; R132-I162 VanDerWaalsContact CB-O 3.28Å; R132-I162 WeakPolarHBondContact CB-O 3.06Å; R132-I162 PolarHBondContact N-O 3.27Å; R132-I162 VanDerWaalsContact N-O 3.07Å; R132-N169 PolarHBondContact NH1-ND2 3.34Å
133D97Very high97.5Very high56 Ų5645.5 Ų45.530%0.29925%0.245SC..THydrogen-bonded Turntrans-64.6-18.9175.754.6-76.8000114K131 S163 E166K131-D133 WeakPolarHBondContact CA-OD1 3.19Å; K131-D133 PolarHBondContact O-N 3.41Å; K131-D133 VanDerWaalsContact O-N 3.09Å; D133-S163 VanDerWaalsContact CG-OG 3.31Å; D133-S163 WeakPolarHBondContact OD1-CB 3.38Å; D133-S163 PolarHBondContact OD1-OG 2.79Å; D133-E166 HydrophobicContact CB-CG 3.81Å
134L97.3Very high97.5Very high72 Ų7247.1 Ų47.138%0.37725%0.254SS..SBendtrans-84.9143.5-178.7-62.5-179.4000112A99 K131 R132 G136 A137A99-L134 HydrophobicContact CB-CB 3.75Å; A99-L134 HydrophobicContact CB-CD1 3.69Å; A99-L134 HydrophobicContact CB-CG 4.3Å; K131-L134 HydrophobicContact CB-CD1 3.91Å; K131-L134 HydrophobicContact CB-CG 4.22Å; K131-L134 HydrophobicContact CD-CD1 4.01Å; K131-L134 WeakPolarHBondContact O-CB 3.32Å; K131-L134 PolarHBondContact O-N 2.84Å; R132-L134 PolarHBondContact O-N 3.13Å; L134-G136 PolarHBondContact O-N 2.83Å; L134-A137 VanDerWaalsContact O-CB 3.28Å; L134-A137 WeakPolarHBondContact O-CB 3.48Å; L134-A137 PolarHBondContact O-N 2.98Å
135P96.2Very high97.6Very high127 Ų12753.3 Ų53.383%0.82528%0.28SS*.THydrogen-bonded Turntrans-63134.2176.626.9-33.9000110.7A137P135-A137 VanDerWaalsContact C-N 3.31Å
136G94.6Very high97.6Very high65 Ų6558.6 Ų58.667%0.6730%0.3SS*.THydrogen-bonded Turntrans80.17.9-178.500000114.7L134L134-G136 PolarHBondContact O-N 2.83Å
137A97.8Very high97.6Very high22 Ų2258.6 Ų58.618%0.18230%0.3CS..  trans-63.6133.1170.600000111.2A98 A99 K131 L134 P135A98-A137 HydrophobicContact CB-CB 4.26Å; A98-A137 WeakPolarHBondContact O-CA 3.42Å; A99-A137 HydrophobicContact CB-CB 4.11Å; K131-A137 WeakPolarHBondContact O-CB 3.29Å; L134-A137 VanDerWaalsContact O-CB 3.28Å; L134-A137 WeakPolarHBondContact O-CB 3.48Å; L134-A137 PolarHBondContact O-N 2.98Å; P135-A137 VanDerWaalsContact C-N 3.31Å
138L97.7Very high97.5Very high5 Ų562.2 Ų62.23%0.02632%0.32CS..  trans-63.7136.9178.7-60.5176.8000111.4A98 I104 E142 L143A98-L138 HydrophobicContact CB-CB 4.35Å; A98-L138 PolarHBondContact O-N 3.1Å; I104-L138 HydrophobicContact CD1-CD1 3.81Å; I104-L138 HydrophobicContact CG1-CD1 3.84Å; L138-E142 WeakPolarHBondContact CA-OE2 3.37Å; L138-E142 HydrophobicContact CB-CB 4.09Å; L138-E142 HydrophobicContact CD2-CB 4.05Å; L138-L143 HydrophobicContact CB-CD2 4.2Å; L138-L143 HydrophobicContact CB-CG 3.92Å; L138-L143 HydrophobicContact CD1-CD2 4.12Å
139D96.6Very high97.5Very high69 Ų6962.5 Ų62.537%0.36932%0.321SS..  trans-77.8176.617181.516.7000112.1K141 E142 L143D139-K141 VanDerWaalsContact C-N 3.3Å; D139-K141 PolarHBondContact O-N 2.95Å; D139-K141 WeakPolarHBondContact OD1-CA 3.41Å; D139-K141 WeakPolarHBondContact OD1-CB 3.41Å; D139-K141 PolarHBondContact OD1-N 3.26Å; D139-E142 PolarHBondContact N-OE2 3.07Å; D139-E142 PolarHBondContact O-N 3.35Å; D139-E142 WeakPolarHBondContact OD1-CG 3.29Å; D139-E142 PolarHBondContact OD1-N 3.31Å; D139-L143 WeakPolarHBondContact O-CB 3.29Å; D139-L143 WeakPolarHBondContact O-CD1 3.46Å; D139-L143 VanDerWaalsContact O-CG 3.31Å; D139-L143 WeakPolarHBondContact O-CG 3.34Å; D139-L143 PolarHBondContact O-N 3.28Å
140E96.1Very high97.5Very high84 Ų8466.6 Ų66.639%0.39335%0.35SS..Hα-helixtrans-59.3-39.5-179.2-172.1-173.4140.700112.8L143 I144 C159E140-L143 PolarHBondContact O-N 3.38Å; E140-I144 HydrophobicContact CG-CD1 4.07Å; E140-I144 WeakPolarHBondContact O-CD1 3.45Å; E140-I144 VanDerWaalsContact O-CG1 3.23Å; E140-I144 WeakPolarHBondContact O-CG1 3.3Å; E140-I144 PolarHBondContact O-N 3.27Å; E140-C159 HydrophobicContact CG-CB 4.24Å; E140-C159 WeakPolarHBondContact CG-O 3.25Å
141K97.4Very high97.4Very high164 Ų16469 Ų6971%0.71337%0.37SS*.Hα-helixtrans-70.6-44.2-177.8-66.6-179.9178.6177.30110.7D139 L143 I144 E145D139-K141 VanDerWaalsContact C-N 3.3Å; D139-K141 PolarHBondContact O-N 2.95Å; D139-K141 WeakPolarHBondContact OD1-CA 3.41Å; D139-K141 WeakPolarHBondContact OD1-CB 3.41Å; D139-K141 PolarHBondContact OD1-N 3.26Å; K141-L143 VanDerWaalsContact C-N 3.3Å; K141-L143 PolarHBondContact O-N 2.56Å; K141-I144 PolarHBondContact O-N 3.17Å; K141-E145 PolarHBondContact O-N 3.06Å
142E97.9Very high97.4Very high73 Ų7367.3 Ų67.334%0.34136%0.364SS..Hα-helixtrans-63.2-38.2176.7-66.5178.5120.500111.6L138 D139 E145 R146L138-E142 WeakPolarHBondContact CA-OE2 3.37Å; L138-E142 HydrophobicContact CB-CB 4.09Å; L138-E142 HydrophobicContact CD2-CB 4.05Å; D139-E142 PolarHBondContact N-OE2 3.07Å; D139-E142 PolarHBondContact O-N 3.35Å; D139-E142 WeakPolarHBondContact OD1-CG 3.29Å; D139-E142 PolarHBondContact OD1-N 3.31Å; E142-E145 PolarHBondContact O-N 2.97Å; E142-R146 WeakPolarHBondContact O-CB 3.46Å; E142-R146 WeakPolarHBondContact O-CG 3.47Å; E142-R146 PolarHBondContact O-N 3.27Å
143L98.1Very high97.4Very high0 Ų069.9 Ų69.90%038%0.381CS..Hα-helixtrans-64.6-45.6173.9-76.3164.2000111.8V96 A98 I104 L138 D139 E140 K141 E145 M147V96-L143 HydrophobicContact CG1-CD2 4.09Å; A98-L143 HydrophobicContact CB-CD1 4.33Å; I104-L143 HydrophobicContact CD1-CD2 4.26Å; L138-L143 HydrophobicContact CB-CD2 4.2Å; L138-L143 HydrophobicContact CB-CG 3.92Å; L138-L143 HydrophobicContact CD1-CD2 4.12Å; D139-L143 WeakPolarHBondContact O-CB 3.29Å; D139-L143 WeakPolarHBondContact O-CD1 3.46Å; D139-L143 VanDerWaalsContact O-CG 3.31Å; D139-L143 WeakPolarHBondContact O-CG 3.34Å; D139-L143 PolarHBondContact O-N 3.28Å; E140-L143 PolarHBondContact O-N 3.38Å; K141-L143 VanDerWaalsContact C-N 3.3Å; K141-L143 PolarHBondContact O-N 2.56Å; L143-E145 VanDerWaalsContact C-N 3.28Å; L143-E145 PolarHBondContact O-N 3.3Å; L143-M147 WeakPolarHBondContact O-CB 3.42Å; L143-M147 VanDerWaalsContact O-CG 3.3Å; L143-M147 WeakPolarHBondContact O-CG 3.34Å; L143-M147 PolarHBondContact O-N 3.01Å
144I98.3Very high97.4Very high53 Ų5371.1 Ų71.127%0.27239%0.387SS..Hα-helixtrans-56.2-45.7176.8-72.6162.9000110.7E140 K141 N148 L149 C159E140-I144 HydrophobicContact CG-CD1 4.07Å; E140-I144 WeakPolarHBondContact O-CD1 3.45Å; E140-I144 VanDerWaalsContact O-CG1 3.23Å; E140-I144 WeakPolarHBondContact O-CG1 3.3Å; E140-I144 PolarHBondContact O-N 3.27Å; K141-I144 PolarHBondContact O-N 3.17Å; I144-N148 PolarHBondContact O-N 3.1Å; I144-L149 HydrophobicContact CG1-CD1 4.08Å; I144-L149 HydrophobicContact CG2-CB 4.45Å; I144-L149 PolarHBondContact O-N 2.98Å; I144-C159 HydrophobicContact CD1-CB 4.34Å; I144-C159 HydrophobicContact CG1-CB 3.91Å
145E98.2Very high97.4Very high155 Ų15568.8 Ų68.872%0.72437%0.373SS*.Hα-helixtrans-67.9-55.5179.6-174.2177.1-176.400111.8K141 E142 L143 M147 N148K141-E145 PolarHBondContact O-N 3.06Å; E142-E145 PolarHBondContact O-N 2.97Å; L143-E145 VanDerWaalsContact C-N 3.28Å; L143-E145 PolarHBondContact O-N 3.3Å; E145-M147 PolarHBondContact O-N 2.86Å; E145-N148 PolarHBondContact O-N 3.4Å
146R98.1Very high97.4Very high111 Ų11167.5 Ų67.542%0.41936%0.357SS..Hα-helixtrans-70.1-31.2-173.8-66.8-169.6-172.1-174.38.4113.5I104 K108 E142I104-R146 HydrophobicContact CG2-CB 3.77Å; K108-R146 VanDerWaalsContact CD-O 3.23Å; K108-R146 WeakPolarHBondContact CD-O 3.49Å; E142-R146 WeakPolarHBondContact O-CB 3.46Å; E142-R146 WeakPolarHBondContact O-CG 3.47Å; E142-R146 PolarHBondContact O-N 3.27Å
147M98.4Very high97.6Very high0 Ų066.6 Ų66.60%034%0.336CS..THydrogen-bonded Turntrans-84-0.8173.5-61.2-74.2-67.200112.4Y94 V96 I104 K108 L111 H112 L143 E145 L149Y94-M147 HydrophobicContact CD1-CE 4.45Å; Y94-M147 HydrophobicContact CE1-CE 3.99Å; V96-M147 HydrophobicContact CG2-CE 3.81Å; V96-M147 HydrophobicContact CG2-SD 4.33Å; I104-M147 HydrophobicContact CG2-SD 4.01Å; K108-M147 HydrophobicContact CB-CE 4.4Å; K108-M147 HydrophobicContact CB-SD 3.96Å; K108-M147 WeakPolarHBondContact CG-O 3.34Å; L111-M147 HydrophobicContact CB-CE 4.29Å; L111-M147 HydrophobicContact CD2-CE 3.87Å; H112-M147 PolarHBondContact NE2-O 2.84Å; L143-M147 WeakPolarHBondContact O-CB 3.42Å; L143-M147 VanDerWaalsContact O-CG 3.3Å; L143-M147 WeakPolarHBondContact O-CG 3.34Å; L143-M147 PolarHBondContact O-N 3.01Å; E145-M147 PolarHBondContact O-N 2.86Å; M147-L149 VanDerWaalsContact C-N 3.27Å; M147-L149 HydrophobicContact CB-CD2 3.52Å; M147-L149 HydrophobicContact CB-CG 3.84Å; M147-L149 PolarHBondContact O-N 3.11Å
148N98.2Very high97.6Very high75 Ų7566.9 Ų66.940%0.40134%0.336SS..THydrogen-bonded Turntrans5046.3-178.6-168.830.5000112.4K108 H112 I144 E145 S150 A151K108-N148 HydrophobicContact CD-CB 4.19Å; H112-N148 PolarHBondContact CE1-O 3.34Å; I144-N148 PolarHBondContact O-N 3.1Å; E145-N148 PolarHBondContact O-N 3.4Å; N148-S150 PolarHBondContact O-N 2.93Å; N148-A151 VanDerWaalsContact ND2-CB 3.33Å; N148-A151 WeakPolarHBondContact ND2-CB 3.41Å; N148-A151 PolarHBondContact O-N 3.14Å
149L98.3Very high97.6Very high7 Ų766.9 Ų66.94%0.03734%0.336CS..G310 helixtrans-68.3-27.7-173.9-57.9-172.4000111.9L111 V127 I144 M147 A151 I152 I157 C159L111-L149 HydrophobicContact CD2-CD2 3.7Å; V127-L149 HydrophobicContact CB-CD1 4.17Å; V127-L149 HydrophobicContact CG1-CD1 4.4Å; V127-L149 HydrophobicContact CG2-CD1 3.98Å; V127-L149 HydrophobicContact CG2-CD2 4.09Å; I144-L149 HydrophobicContact CG1-CD1 4.08Å; I144-L149 HydrophobicContact CG2-CB 4.45Å; I144-L149 PolarHBondContact O-N 2.98Å; M147-L149 VanDerWaalsContact C-N 3.27Å; M147-L149 HydrophobicContact CB-CD2 3.52Å; M147-L149 HydrophobicContact CB-CG 3.84Å; M147-L149 PolarHBondContact O-N 3.11Å; L149-A151 PolarHBondContact O-N 2.95Å; L149-I152 HydrophobicContact CD2-CD1 4.31Å; L149-I152 WeakPolarHBondContact O-CB 3.2Å; L149-I152 PolarHBondContact O-N 2.84Å; L149-I152 VanDerWaalsContact O-N 3.07Å; L149-I157 HydrophobicContact CB-CD1 4.28Å; L149-I157 HydrophobicContact CD2-CD1 3.99Å; L149-C159 HydrophobicContact CD1-CB 3.81Å
150S97.1Very high97.7Very high85 Ų8566 Ų6659%0.59433%0.328SS*.G310 helixtrans-65.3-18177.5-52.50000114.2N148 I152N148-S150 PolarHBondContact O-N 2.93Å; S150-I152 VanDerWaalsContact C-N 3.29Å
151A97.8Very high97.8Very high56 Ų5662 Ų6246%0.46331%0.31SS..G310 helixtrans-76.4-17.7174.100000112.9N148 L149 Q153N148-A151 VanDerWaalsContact ND2-CB 3.33Å; N148-A151 WeakPolarHBondContact ND2-CB 3.41Å; N148-A151 PolarHBondContact O-N 3.14Å; L149-A151 PolarHBondContact O-N 2.95Å; A151-Q153 PolarHBondContact O-N 3.32Å
152I97.9Very high97.8Very high17 Ų1754.2 Ų54.29%0.08728%0.276CS..  trans-86.6102.3178.1-60.2159.4000107.8L111 L115 L149 S150 R155 I157L111-I152 HydrophobicContact CD2-CD1 4.39Å; L115-I152 HydrophobicContact CD1-CD1 3.57Å; L115-I152 HydrophobicContact CD1-CG1 4.19Å; L115-I152 HydrophobicContact CD1-CG2 4.09Å; L149-I152 HydrophobicContact CD2-CD1 4.31Å; L149-I152 WeakPolarHBondContact O-CB 3.2Å; L149-I152 PolarHBondContact O-N 2.84Å; L149-I152 VanDerWaalsContact O-N 3.07Å; S150-I152 VanDerWaalsContact C-N 3.29Å; I152-R155 HydrophobicContact CG2-CG 3.74Å; I152-I157 HydrophobicContact CB-CD1 4.27Å; I152-I157 HydrophobicContact CD1-CD1 3.55Å; I152-I157 HydrophobicContact CG2-CD1 4.27Å
153Q96.6Very high97.8Very high172 Ų17250.9 Ų50.980%0.80426%0.26SS*.  trans-117.2-3-175.4-60.9-170.4-11.400113.7A151 R155A151-Q153 PolarHBondContact O-N 3.32Å; Q153-R155 VanDerWaalsContact C-N 3.33Å
154D96Very high97.7Very high81 Ų8151 Ų5143%0.43326%0.261SS..SBendtrans-880.9-17573.9-38.6000113.8
155R97.3Very high97.5Very high23 Ų2353 Ų539%0.08727%0.268CS..SBendtrans-159164.5-175.564.6-165.568.2-145.84.5111.3L115 L120 I123 I152 Q153 I157L115-R155 PolarHBondContact O-NH2 2.95Å; L120-R155 PolarHBondContact O-NH1 3.16Å; I123-R155 WeakPolarHBondContact O-CD 3.4Å; I123-R155 PolarHBondContact O-NH1 2.94Å; I152-R155 HydrophobicContact CG2-CG 3.74Å; Q153-R155 VanDerWaalsContact C-N 3.33Å; R155-I157 PolarHBondContact O-N 2.88Å
156E97.4Very high97.4Very high101 Ų10151.4 Ų51.447%0.47226%0.261SS..  trans-67.2130.9165.3-178.6176167.300110P124 V125 H180P124-E156 WeakPolarHBondContact CA-O 3.43Å; P124-E156 HydrophobicContact CB-CB 4.3Å; V125-E156 PolarHBondContact N-O 3.46Å; E156-H180 VanDerWaalsContact CD-NE2 3.3Å; E156-H180 IonicContact OE1-CE1 3.93Å; E156-H180 PolarHBondContact OE1-CE1 3.37Å; E156-H180 IonicContact OE1-NE2 2.62Å; E156-H180 PolarHBondContact OE1-NE2 2.88Å; E156-H180 VanDerWaalsContact OE1-NE2 3.16Å; E156-H180 IonicContact OE2-NE2 3.38Å; E156-H180 PolarHBondContact OE2-NE2 3.12Å; E156-H180 VanDerWaalsContact OE2-NE2 3.13Å
157I98Very high97.2Very high46 Ų4651.4 Ų51.424%0.23626%0.264CS..EExtended strand (participates in β ladder)trans-134.5133.1173.9-168.8161.2000110.3V125 V127 L149 I152 R155V125-I157 HydrophobicContact CB-CD1 4.3Å; V125-I157 HydrophobicContact CB-CG1 4.08Å; V125-I157 HydrophobicContact CG1-CD1 4.22Å; V125-I157 HydrophobicContact CG1-CG1 4.27Å; V125-I157 WeakPolarHBondContact O-CA 3.42Å; V127-I157 HydrophobicContact CG2-CD1 4.24Å; V127-I157 HydrophobicContact CG2-CG1 4.4Å; L149-I157 HydrophobicContact CB-CD1 4.28Å; L149-I157 HydrophobicContact CD2-CD1 3.99Å; I152-I157 HydrophobicContact CB-CD1 4.27Å; I152-I157 HydrophobicContact CD1-CD1 3.55Å; I152-I157 HydrophobicContact CG2-CD1 4.27Å; R155-I157 PolarHBondContact O-N 2.88Å
158C97.9Very high97.1Very high27 Ų2754.6 Ų54.618%0.18228%0.281CS..EExtended strand (participates in β ladder)trans-129.1151.7177.1-173.80000109.5V125 L126 V127 Y160 W176V125-C158 PolarHBondContact O-N 2.65Å; L126-C158 HydrophobicContact CD1-CB 3.85Å; V127-C158 PolarHBondContact N-O 3.06Å; C158-Y160 VanDerWaalsContact SG-CE1 3.58Å; C158-Y160 VanDerWaalsContact SG-CZ 3.58Å; C158-W176 HydrophobicContact CB-CZ2 4.35Å
159C98.5Very high97Very high5 Ų552.8 Ų52.83%0.03427%0.271CS..EExtended strand (participates in β ladder)trans-131.1133.3177.1-170.60000110V127 E140 I144 L149V127-C159 HydrophobicContact CB-CB 4.33Å; V127-C159 CarbonylContact O-C 3.43Å; V127-C159 VanDerWaalsContact O-CA 3.25Å; V127-C159 WeakPolarHBondContact O-CA 3.3Å; E140-C159 HydrophobicContact CG-CB 4.24Å; E140-C159 WeakPolarHBondContact CG-O 3.25Å; I144-C159 HydrophobicContact CD1-CB 4.34Å; I144-C159 HydrophobicContact CG1-CB 3.91Å; L149-C159 HydrophobicContact CD1-CB 3.81Å
160Y98.4Very high96.8Very high50 Ų5053.1 Ų53.120%0.19627%0.273CS..EExtended strand (participates in β ladder)trans-128.8144.3170.4-63.5-36.5000110.9L126 V127 L128 G129 C158 I172 W176L126-Y160 HydrophobicContact CD1-CD2 3.81Å; L126-Y160 HydrophobicContact CD1-CE2 3.97Å; L126-Y160 HydrophobicContact CD1-CG 4.42Å; V127-Y160 PolarHBondContact O-N 2.87Å; L128-Y160 WeakPolarHBondContact CA-O 3.48Å; L128-Y160 HydrophobicContact CD2-CD2 4.37Å; G129-Y160 PolarHBondContact N-O 3.38Å; C158-Y160 VanDerWaalsContact SG-CE1 3.58Å; C158-Y160 VanDerWaalsContact SG-CZ 3.58Å; Y160-I172 HydrophobicContact CD1-CD1 4.14Å; Y160-I172 HydrophobicContact CD2-CD1 4.2Å; Y160-I172 HydrophobicContact CD2-CG1 4.24Å; Y160-I172 HydrophobicContact CE1-CD1 4.32Å; Y160-I172 HydrophobicContact CE2-CD1 4.36Å; Y160-I172 HydrophobicContact CE2-CG1 4.32Å; Y160-I172 HydrophobicContact CG-CD1 4.11Å; Y160-W176 HydrophobicContact CE2-CB 4.12Å; Y160-W176 HydrophobicContact CE2-CG 4.46Å
161S98.1Very high96.5Very high2 Ų253.2 Ų53.21%0.01427%0.266CS..EExtended strand (participates in β ladder)trans-93.7122.1168-173.20000109.7G129 R132 N169G129-S161 CarbonylContact O-C 3.58Å; G129-S161 WeakPolarHBondContact O-CA 3.33Å; R132-S161 VanDerWaalsContact CD-OG 3.26Å; R132-S161 WeakPolarHBondContact CD-OG 3.28Å; R132-S161 WeakPolarHBondContact CG-OG 3.41Å; S161-N169 PolarHBondContact O-ND2 3.39Å
162I98.2Very high96.3Very high0 Ų052.9 Ų52.90%026%0.257CS..  trans-130160.6-170.871.7167.1000111.9F36 M95 L128 G129 N130 K131 R132 N169 I170F36-I162 HydrophobicContact CD2-CD1 4.06Å; F36-I162 HydrophobicContact CE2-CD1 4.28Å; M95-I162 HydrophobicContact CE-CD1 4.45Å; M95-I162 HydrophobicContact SD-CD1 4.35Å; L128-I162 HydrophobicContact CB-CD1 3.97Å; L128-I162 HydrophobicContact CB-CG1 4.38Å; L128-I162 HydrophobicContact CD1-CD1 3.99Å; L128-I162 HydrophobicContact CD2-CD1 4.47Å; L128-I162 HydrophobicContact CD2-CG2 4.1Å; L128-I162 HydrophobicContact CG-CD1 4.37Å; G129-I162 PolarHBondContact O-N 3.12Å; N130-I162 CarbonylContact C-O 3.59Å; N130-I162 WeakPolarHBondContact CA-O 3.36Å; N130-I162 HydrophobicContact CB-CD1 4.35Å; N130-I162 HydrophobicContact CB-CG1 4.01Å; K131-I162 PolarHBondContact N-O 3.32Å; R132-I162 VanDerWaalsContact CB-O 3.28Å; R132-I162 WeakPolarHBondContact CB-O 3.06Å; R132-I162 PolarHBondContact N-O 3.27Å; R132-I162 VanDerWaalsContact N-O 3.07Å; I162-N169 HydrophobicContact CB-CB 4.42Å; I162-N169 HydrophobicContact CG2-CB 3.85Å; I162-I170 HydrophobicContact CB-CD1 4.5Å; I162-I170 HydrophobicContact CD1-CD1 4.05Å
163S97.6Very high96.1Very high2 Ų252.1 Ų52.11%0.01425%0.252CS..BIsolated β-bridgetrans-125.9114.4162.6176.80000110D133 K165 E166 K167 D168D133-S163 VanDerWaalsContact CG-OG 3.31Å; D133-S163 WeakPolarHBondContact OD1-CB 3.38Å; D133-S163 PolarHBondContact OD1-OG 2.79Å; S163-K165 PolarHBondContact O-N 3.44Å; S163-K165 PolarHBondContact OG-N 3.13Å; S163-E166 PolarHBondContact OG-N 3.16Å; S163-K167 CarbonylContact O-C 3.5Å; S163-K167 WeakPolarHBondContact O-CA 3.33Å; S163-K167 PolarHBondContact O-N 3.31Å; S163-D168 PolarHBondContact N-O 2.86Å; S163-D168 VanDerWaalsContact N-O 3.11Å; S163-D168 PolarHBondContact O-N 3.43Å
164C95.5Very high95.8Very high2 Ų244.2 Ų44.21%0.01422%0.216CC..THydrogen-bonded Turntrans-66.2-30.3169.7-65.80000112.3T35 V39 N130T35-C164 HydrophobicContact CG2-CB 3.81Å; V39-C164 HydrophobicContact CG2-CB 4.33Å; V39-C164 WeakPolarHBondContact CG2-O 3.31Å; N130-C164 PolarHBondContact OD1-N 3.33Å; N130-C164 PolarHBondContact OD1-SG 3.03Å
165K94.1Very high95.5Very high95 Ų9546.3 Ų46.341%0.41322%0.223SC..THydrogen-bonded Turntrans-69.9-52.7-178.2-177.3-176.8175.2-177.60110.9F45 S163 K167F45-K165 HydrophobicContact CE1-CG 4.17Å; F45-K165 HydrophobicContact CE2-CB 4.34Å; F45-K165 HydrophobicContact CZ-CB 4.37Å; F45-K165 HydrophobicContact CZ-CG 4.2Å; S163-K165 PolarHBondContact O-N 3.44Å; S163-K165 PolarHBondContact OG-N 3.13Å; K165-K167 VanDerWaalsContact C-N 3.31Å
166E95Very high95.3Very high123 Ų12345.8 Ų45.858%0.57522%0.221SC*.THydrogen-bonded Turntrans-87.6-3.2-179.1-57.5-5514500112.9D133 S163 D168D133-E166 HydrophobicContact CB-CG 3.81Å; S163-E166 PolarHBondContact OG-N 3.16Å; E166-D168 PolarHBondContact O-N 3.44Å
167K94.6Very high95Very high111 Ų11141.1 Ų41.148%0.48320%0.199SC..THydrogen-bonded Turntrans59.728.2-176-50.3179.4-168.1175.50113.6V39 G43 S163 K165 I170V39-K167 HydrophobicContact CG1-CG 4.18Å; G43-K167 WeakPolarHBondContact O-CE 3.46Å; G43-K167 PolarHBondContact O-NZ 3.38Å; S163-K167 CarbonylContact O-C 3.5Å; S163-K167 WeakPolarHBondContact O-CA 3.33Å; S163-K167 PolarHBondContact O-N 3.31Å; K165-K167 VanDerWaalsContact C-N 3.31Å; K167-I170 HydrophobicContact CB-CG1 4.36Å
168D96.3Very high94.4Very high67 Ų6740.7 Ų40.736%0.35820%0.197SC..BIsolated β-bridgetrans-74.3133.9176.8-172.825000111.3S163 E166 I170S163-D168 PolarHBondContact N-O 2.86Å; S163-D168 VanDerWaalsContact N-O 3.11Å; S163-D168 PolarHBondContact O-N 3.43Å; E166-D168 PolarHBondContact O-N 3.44Å; D168-I170 PolarHBondContact O-N 3Å; D168-I170 VanDerWaalsContact O-N 3.11Å
169N96.8Very high93.9Very high37 Ų3745.5 Ų45.520%0.19822%0.217CC..THydrogen-bonded Turntrans56.416.9-179.1-65.7-37.3000116.7R132 S161 I162 D171 I172 T173R132-N169 PolarHBondContact NH1-ND2 3.34Å; S161-N169 PolarHBondContact O-ND2 3.39Å; I162-N169 HydrophobicContact CB-CB 4.42Å; I162-N169 HydrophobicContact CG2-CB 3.85Å; N169-D171 VanDerWaalsContact C-N 3.3Å; N169-I172 HydrophobicContact CB-CD1 3.77Å; N169-I172 HydrophobicContact CB-CG1 3.8Å; N169-I172 VanDerWaalsContact O-CG1 3.26Å; N169-I172 WeakPolarHBondContact O-CG1 3.14Å; N169-T173 WeakPolarHBondContact O-CB 3.37Å; N169-T173 PolarHBondContact O-N 3.12Å; N169-T173 PolarHBondContact O-OG1 3.12Å
170I93.7Very high93.3Very high13 Ų1346 Ų467%0.06722%0.218CC..Hα-helixtrans-70.1-31174.8-57.8-59.2000111.3F36 V39 I40 I162 K167 D168 L174F36-I170 HydrophobicContact CD2-CD1 4.08Å; F36-I170 HydrophobicContact CE2-CD1 4.08Å; V39-I170 HydrophobicContact CG1-CG1 4.32Å; V39-I170 HydrophobicContact CG1-CG2 4.28Å; I40-I170 HydrophobicContact CG2-CG2 3.93Å; I162-I170 HydrophobicContact CB-CD1 4.5Å; I162-I170 HydrophobicContact CD1-CD1 4.05Å; K167-I170 HydrophobicContact CB-CG1 4.36Å; D168-I170 PolarHBondContact O-N 3Å; D168-I170 VanDerWaalsContact O-N 3.11Å; I170-L174 HydrophobicContact CG2-CD1 4.13Å; I170-L174 VanDerWaalsContact O-CG 3.3Å; I170-L174 WeakPolarHBondContact O-CG 3.22Å; I170-L174 PolarHBondContact O-N 2.79Å
171D90.6Very high92.3Very high87 Ų8744.1 Ų44.147%0.46521%0.213SC..Hα-helixtrans-67-50.7177.760.8-23000112.6N169 T173 L174 Q175N169-D171 VanDerWaalsContact C-N 3.3Å; D171-T173 VanDerWaalsContact C-N 3.26Å; D171-T173 PolarHBondContact O-N 3.46Å; D171-L174 PolarHBondContact O-N 2.62Å; D171-Q175 WeakPolarHBondContact O-CG 3.44Å; D171-Q175 PolarHBondContact O-N 2.94Å
172I93.7Very high90.6Very high50 Ų5051.4 Ų51.426%0.25624%0.24SC..Hα-helixtrans-64.1-33.8176.964.3169.7000111.5Y160 N169 Q175 W176Y160-I172 HydrophobicContact CD1-CD1 4.14Å; Y160-I172 HydrophobicContact CD2-CD1 4.2Å; Y160-I172 HydrophobicContact CD2-CG1 4.24Å; Y160-I172 HydrophobicContact CE1-CD1 4.32Å; Y160-I172 HydrophobicContact CE2-CD1 4.36Å; Y160-I172 HydrophobicContact CE2-CG1 4.32Å; Y160-I172 HydrophobicContact CG-CD1 4.11Å; N169-I172 HydrophobicContact CB-CD1 3.77Å; N169-I172 HydrophobicContact CB-CG1 3.8Å; N169-I172 VanDerWaalsContact O-CG1 3.26Å; N169-I172 WeakPolarHBondContact O-CG1 3.14Å; I172-Q175 PolarHBondContact O-N 2.97Å; I172-W176 PolarHBondContact O-N 3.13Å
173T94.3Very high88.7Confident0 Ų055.3 Ų55.30%026%0.264CS..Hα-helixtrans-60.9-48.9173.2-63.20000110.6F36 L126 L128 N169 D171 Q175 W176 L177F36-T173 HydrophobicContact CE2-CG2 3.88Å; F36-T173 HydrophobicContact CZ-CG2 3.66Å; L126-T173 HydrophobicContact CD2-CG2 3.93Å; L128-T173 HydrophobicContact CD1-CG2 3.81Å; L128-T173 HydrophobicContact CD2-CG2 4.02Å; N169-T173 WeakPolarHBondContact O-CB 3.37Å; N169-T173 PolarHBondContact O-N 3.12Å; N169-T173 PolarHBondContact O-OG1 3.12Å; D171-T173 VanDerWaalsContact C-N 3.26Å; D171-T173 PolarHBondContact O-N 3.46Å; T173-Q175 VanDerWaalsContact C-N 3.33Å; T173-Q175 PolarHBondContact O-N 3.25Å; T173-W176 PolarHBondContact O-N 3Å; T173-L177 HydrophobicContact CG2-CD1 4.37Å; T173-L177 WeakPolarHBondContact O-CG 3.29Å; T173-L177 PolarHBondContact O-N 3.19Å; T173-L177 VanDerWaalsContact O-N 3.12Å
174L90.2Very high86.5Confident7 Ų760.6 Ų60.64%0.03729%0.287CS..Hα-helixtrans-67.1-34.3178.4-71169.4000112.4I40 K62 I170 D171 L177 I178I40-L174 HydrophobicContact CB-CD2 4.29Å; I40-L174 HydrophobicContact CG2-CD1 4.23Å; I40-L174 HydrophobicContact CG2-CD2 4.07Å; I40-L174 HydrophobicContact CG2-CG 4.37Å; K62-L174 HydrophobicContact CD-CD1 3.9Å; I170-L174 HydrophobicContact CG2-CD1 4.13Å; I170-L174 VanDerWaalsContact O-CG 3.3Å; I170-L174 WeakPolarHBondContact O-CG 3.22Å; I170-L174 PolarHBondContact O-N 2.79Å; D171-L174 PolarHBondContact O-N 2.62Å; L174-L177 HydrophobicContact CD2-CD1 4.49Å; L174-L177 PolarHBondContact O-N 3.43Å; L174-I178 WeakPolarHBondContact O-CB 3.05Å; L174-I178 WeakPolarHBondContact O-CD1 3.16Å; L174-I178 VanDerWaalsContact O-CG1 3.24Å; L174-I178 WeakPolarHBondContact O-CG1 3.24Å; L174-I178 PolarHBondContact O-N 2.74Å
175Q89.9Confident84.1Confident124 Ų12467.8 Ų67.858%0.57931%0.314SS*.Hα-helixtrans-62.5-46.9174.3-72.7173.98.700111.6D171 I172 T173 L177 I178 Q179D171-Q175 WeakPolarHBondContact O-CG 3.44Å; D171-Q175 PolarHBondContact O-N 2.94Å; I172-Q175 PolarHBondContact O-N 2.97Å; T173-Q175 VanDerWaalsContact C-N 3.33Å; T173-Q175 PolarHBondContact O-N 3.25Å; Q175-L177 VanDerWaalsContact C-N 3.33Å; Q175-L177 PolarHBondContact O-N 2.89Å; Q175-I178 PolarHBondContact O-N 2.83Å; Q175-Q179 PolarHBondContact O-N 2.91Å
176W92.4Very high81.4Confident13 Ų1368 Ų685%0.04933%0.327CS..Hα-helixtrans-59.1-44.8176.7-172.495.2000111A91 P124 L126 C158 Y160 I172 T173 I178 Q179 H180A91-W176 HydrophobicContact CB-CH2 3.93Å; A91-W176 HydrophobicContact CB-CZ3 3.68Å; P124-W176 HydrophobicContact CB-CH2 3.88Å; P124-W176 HydrophobicContact CB-CZ2 4.29Å; L126-W176 HydrophobicContact CB-CD2 4.37Å; L126-W176 HydrophobicContact CB-CE3 3.86Å; L126-W176 HydrophobicContact CB-CH2 3.91Å; L126-W176 HydrophobicContact CB-CZ2 4.4Å; L126-W176 HydrophobicContact CB-CZ3 3.62Å; L126-W176 HydrophobicContact CD1-CD2 4.25Å; L126-W176 HydrophobicContact CD1-CE3 4.48Å; L126-W176 HydrophobicContact CD2-CD2 4.14Å; L126-W176 HydrophobicContact CD2-CE3 3.71Å; L126-W176 HydrophobicContact CD2-CZ3 4.27Å; L126-W176 HydrophobicContact CG-CD2 4.5Å; L126-W176 HydrophobicContact CG-CE3 4.23Å; L126-W176 HydrophobicContact CG-CZ3 4.47Å; C158-W176 HydrophobicContact CB-CZ2 4.35Å; Y160-W176 HydrophobicContact CE2-CB 4.12Å; Y160-W176 HydrophobicContact CE2-CG 4.46Å; I172-W176 PolarHBondContact O-N 3.13Å; T173-W176 PolarHBondContact O-N 3Å; W176-I178 PolarHBondContact O-N 3.15Å; W176-Q179 PolarHBondContact O-N 3.29Å; W176-H180 AromaticContact CD1-CE1 3.91Å; W176-H180 AromaticContact CD2-CE1 3.66Å; W176-H180 AromaticContact CD2-ND1 3.52Å; W176-H180 AromaticContact CE2-CE1 3.15Å; W176-H180 AromaticContact CE2-ND1 3.51Å; W176-H180 AromaticContact CE2-NE2 3.86Å; W176-H180 AromaticContact CE3-ND1 3.75Å; W176-H180 AromaticContact CH2-CE1 4Å; W176-H180 AromaticContact CH2-ND1 3.98Å; W176-H180 AromaticContact CZ2-CE1 3.36Å; W176-H180 WeakPolarHBondContact CZ2-CE1 3.24Å; W176-H180 AromaticContact CZ2-ND1 3.76Å; W176-H180 AromaticContact CZ2-NE2 3.57Å; W176-H180 AromaticContact CZ3-ND1 3.97Å; W176-H180 AromaticContact NE1-CE1 3.31Å; W176-H180 PolarHBondContact NE1-CE1 3.47Å; W176-H180 VanDerWaalsContact NE1-CE1 3.31Å; W176-H180 AromaticContact NE1-ND1 3.95Å; W176-H180 PolarHBondContact O-N 3.01Å; W176-H180 PolarHBondContact O-ND1 2.66Å
177L90.2Very high78.4Confident2 Ų270.3 Ų70.31%0.0136%0.357CS..Hα-helixtrans-62.6-44.2178.2-66.8174000112.6M21 L23 V93 L126 T173 L174 Q175 Q179 H180 S181M21-L177 HydrophobicContact CE-CB 4.29Å; M21-L177 WeakPolarHBondContact CE-O 3.46Å; L23-L177 HydrophobicContact CD1-CB 4.36Å; L23-L177 HydrophobicContact CD1-CD1 3.85Å; L23-L177 HydrophobicContact CD1-CD2 3.66Å; L23-L177 HydrophobicContact CD1-CG 4.16Å; L23-L177 HydrophobicContact CD2-CD2 4.07Å; V93-L177 HydrophobicContact CG2-CD1 4.5Å; V93-L177 HydrophobicContact CG2-CD2 3.78Å; L126-L177 HydrophobicContact CD2-CD2 4.36Å; L126-L177 HydrophobicContact CD2-CG 4.48Å; T173-L177 HydrophobicContact CG2-CD1 4.37Å; T173-L177 WeakPolarHBondContact O-CG 3.29Å; T173-L177 PolarHBondContact O-N 3.19Å; T173-L177 VanDerWaalsContact O-N 3.12Å; L174-L177 HydrophobicContact CD2-CD1 4.49Å; L174-L177 PolarHBondContact O-N 3.43Å; Q175-L177 VanDerWaalsContact C-N 3.33Å; Q175-L177 PolarHBondContact O-N 2.89Å; L177-Q179 VanDerWaalsContact C-N 3.31Å; L177-Q179 PolarHBondContact O-N 3.17Å; L177-H180 PolarHBondContact O-N 2.96Å; L177-S181 PolarHBondContact O-N 2.74Å
178I86Confident77.6Confident38 Ų3868.3 Ų68.320%0.19535%0.35CS..Hα-helixtrans-66-33.7178.1-71.6164.6000111.6V65 L174 Q175 W176 H180 S181V65-I178 HydrophobicContact CB-CG1 4.38Å; V65-I178 HydrophobicContact CG2-CG1 4.2Å; V65-I178 HydrophobicContact CG2-CG2 4Å; L174-I178 WeakPolarHBondContact O-CB 3.05Å; L174-I178 WeakPolarHBondContact O-CD1 3.16Å; L174-I178 VanDerWaalsContact O-CG1 3.24Å; L174-I178 WeakPolarHBondContact O-CG1 3.24Å; L174-I178 PolarHBondContact O-N 2.74Å; Q175-I178 PolarHBondContact O-N 2.83Å; W176-I178 PolarHBondContact O-N 3.15Å; I178-H180 VanDerWaalsContact C-N 3.28Å; I178-H180 PolarHBondContact O-N 3.45Å; I178-S181 PolarHBondContact O-N 3.04Å; I178-S181 PolarHBondContact O-OG 3.01Å
179Q87.1Confident76.6Confident128 Ų12868.3 Ų68.360%0.59835%0.35SS*.Hα-helixtrans-63.6-38.7175-176.8174.1-8.300111.3Q175 W176 L177 S181 R182 T183Q175-Q179 PolarHBondContact O-N 2.91Å; W176-Q179 PolarHBondContact O-N 3.29Å; L177-Q179 VanDerWaalsContact C-N 3.31Å; L177-Q179 PolarHBondContact O-N 3.17Å; Q179-S181 VanDerWaalsContact C-N 3.34Å; Q179-S181 PolarHBondContact O-N 3.19Å; Q179-R182 PolarHBondContact O-N 2.65Å; Q179-T183 PolarHBondContact O-OG1 2.89Å
180H86.9Confident75.5Confident14 Ų1470.1 Ų70.17%0.06536%0.358CS..Hα-helixtrans-79.1-10.9-179.5-71.579.7000114.3E156 W176 L177 I178 R182E156-H180 VanDerWaalsContact CD-NE2 3.3Å; E156-H180 IonicContact OE1-CE1 3.93Å; E156-H180 PolarHBondContact OE1-CE1 3.37Å; E156-H180 IonicContact OE1-NE2 2.62Å; E156-H180 PolarHBondContact OE1-NE2 2.88Å; E156-H180 VanDerWaalsContact OE1-NE2 3.16Å; E156-H180 IonicContact OE2-NE2 3.38Å; E156-H180 PolarHBondContact OE2-NE2 3.12Å; E156-H180 VanDerWaalsContact OE2-NE2 3.13Å; W176-H180 AromaticContact CD1-CE1 3.91Å; W176-H180 AromaticContact CD2-CE1 3.66Å; W176-H180 AromaticContact CD2-ND1 3.52Å; W176-H180 AromaticContact CE2-CE1 3.15Å; W176-H180 AromaticContact CE2-ND1 3.51Å; W176-H180 AromaticContact CE2-NE2 3.86Å; W176-H180 AromaticContact CE3-ND1 3.75Å; W176-H180 AromaticContact CH2-CE1 4Å; W176-H180 AromaticContact CH2-ND1 3.98Å; W176-H180 AromaticContact CZ2-CE1 3.36Å; W176-H180 WeakPolarHBondContact CZ2-CE1 3.24Å; W176-H180 AromaticContact CZ2-ND1 3.76Å; W176-H180 AromaticContact CZ2-NE2 3.57Å; W176-H180 AromaticContact CZ3-ND1 3.97Å; W176-H180 AromaticContact NE1-CE1 3.31Å; W176-H180 PolarHBondContact NE1-CE1 3.47Å; W176-H180 VanDerWaalsContact NE1-CE1 3.31Å; W176-H180 AromaticContact NE1-ND1 3.95Å; W176-H180 PolarHBondContact O-N 3.01Å; W176-H180 PolarHBondContact O-ND1 2.66Å; L177-H180 PolarHBondContact O-N 2.96Å; I178-H180 VanDerWaalsContact C-N 3.28Å; I178-H180 PolarHBondContact O-N 3.45Å; H180-R182 VanDerWaalsContact C-N 3.27Å
181S77.1Confident74.4Confident11 Ų1173.4 Ų73.48%0.07738%0.375CS..Hα-helixtrans-68.8-28.5169.568.60000112.5E19 L177 I178 Q179E19-S181 PolarHBondContact OE2-OG 3.46Å; L177-S181 PolarHBondContact O-N 2.74Å; I178-S181 PolarHBondContact O-N 3.04Å; I178-S181 PolarHBondContact O-OG 3.01Å; Q179-S181 VanDerWaalsContact C-N 3.34Å; Q179-S181 PolarHBondContact O-N 3.19Å
182R63.4Low73.4Confident155 Ų15572.6 Ų72.659%0.58537%0.37SS*.Hα-helixtrans-82-32.7-172.8-65.4178.2176.6175.61.4113E19 Q179 H180 K184 R185E19-R182 VanDerWaalsContact OE2-CG 3.24Å; E19-R182 WeakPolarHBondContact OE2-CG 3.34Å; E19-R182 IonicContact OE2-NE 3.96Å; Q179-R182 PolarHBondContact O-N 2.65Å; H180-R182 VanDerWaalsContact C-N 3.27Å; R182-K184 VanDerWaalsContact C-N 3.26Å; R182-K184 PolarHBondContact O-N 3.09Å; R182-R185 PolarHBondContact O-N 3.4Å
183T57.3Low72.1Confident83 Ų8374.1 Ų74.151%0.50938%0.377SS..G310 helixtrans-65.7-26.1-172.6-32.80000113.2Q179 R185 S186Q179-T183 PolarHBondContact O-OG1 2.89Å; T183-R185 VanDerWaalsContact C-N 3.25Å; T183-R185 PolarHBondContact O-N 3.36Å; T183-S186 PolarHBondContact O-OG 3.42Å; T183-S186 VanDerWaalsContact O-OG 3.13Å
184K50.7Low70.5Confident112 Ų11279.4 Ų79.449%0.48740%0.404SS..G310 helixtrans-69.3-14.8177.9-105.5-174.2-179.7173.30115G88 V89 R182G88-K184 PolarHBondContact O-NZ 3.31Å; V89-K184 PolarHBondContact O-NZ 2.99Å; R182-K184 VanDerWaalsContact C-N 3.26Å; R182-K184 PolarHBondContact O-N 3.09Å
185R46Very low69Low154 Ų15484.9 Ų84.958%0.58143%0.433SS*.G310 helixtrans-89.8-9.6-177.7-97.6-178174.5159.50.8114.4E19 R182 T183E19-R185 IonicContact OE1-NH1 3.88Å; R182-R185 PolarHBondContact O-N 3.4Å; T183-R185 VanDerWaalsContact C-N 3.25Å; T183-R185 PolarHBondContact O-N 3.36Å
186S37.7Very low67.2Low98 Ų9881.7 Ų81.769%0.68542%0.42SS*.  trans-102.122.4-174.749.80000114.2T183T183-S186 PolarHBondContact O-OG 3.42Å; T183-S186 VanDerWaalsContact O-OG 3.13Å
187S32Very low64.9Low172 Ų17287.9 Ų87.9100%1.20345%0.454SS*.  trans-126.60177.1-54.10000110.8

Retrieved 187 of 187 residues in 38.3 ms (Link to these results)

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