A0A060W323_ONCMY Loading...

ADP-ribosylation factor-like 8Bb

AlphaFold DB (A0A4W5KP14), UniProt , Accession A0A060W323, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene LOC110494583, Length 183 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
1M55.3Low70.3Confident200 Ų200121 Ų12199%0.98560%0.603SS**  0-55.20-144-179.1-72.400111.5A3 L4 I5M1-A3 PolarHBondContact O-N 3.32Å; M1-L4 PolarHBondContact O-N 3.16Å; M1-I5 HydrophobicContact CG-CD1 4.42Å; M1-I5 WeakPolarHBondContact O-CG1 3.41Å; M1-I5 PolarHBondContact O-N 3.2Å; M1-I5 VanDerWaalsContact O-N 3.16Å
2L62.3Low70Confident136 Ų136119.3 Ų119.371%0.71259%0.589SS**Hα-helixtrans-57.4-43.1176.5-78.4152000114.9L4 I5 N6L2-L4 VanDerWaalsContact C-N 3.29Å; L2-L4 PolarHBondContact O-N 3.11Å; L2-I5 PolarHBondContact O-N 3.43Å; L2-N6 WeakPolarHBondContact O-CB 3.47Å; L2-N6 PolarHBondContact O-N 2.89Å
3A67Low69.6Low71 Ų71122.2 Ų122.259%0.58759%0.589SS**Hα-helixtrans-65.1-30.8178.100000113.6M1 R7M1-A3 PolarHBondContact O-N 3.32Å; A3-R7 WeakPolarHBondContact O-CG 3.42Å; A3-R7 PolarHBondContact O-N 3.35Å; A3-R7 VanDerWaalsContact O-N 3.11Å
4L73Confident69.2Low129 Ų129116.6 Ų116.668%0.67557%0.569SS**Hα-helixtrans-74.4-41.7178-142.1100.7000110.4M1 L2 R7 L8M1-L4 PolarHBondContact O-N 3.16Å; L2-L4 VanDerWaalsContact C-N 3.29Å; L2-L4 PolarHBondContact O-N 3.11Å; L4-R7 PolarHBondContact O-N 3.25Å; L4-L8 WeakPolarHBondContact O-CB 3.42Å; L4-L8 PolarHBondContact O-N 3.43Å
5I79.6Confident68.5Low87 Ų87115.2 Ų115.245%0.44657%0.565SS.*Hα-helixtrans-64.9-42.1176-65.2165.7000110.6M1 L2 L8 L9M1-I5 HydrophobicContact CG-CD1 4.42Å; M1-I5 WeakPolarHBondContact O-CG1 3.41Å; M1-I5 PolarHBondContact O-N 3.2Å; M1-I5 VanDerWaalsContact O-N 3.16Å; L2-I5 PolarHBondContact O-N 3.43Å; I5-L8 PolarHBondContact O-N 2.81Å; I5-L9 HydrophobicContact CG2-CD1 3.82Å; I5-L9 HydrophobicContact CG2-CG 4.4Å; I5-L9 WeakPolarHBondContact O-CB 3.42Å; I5-L9 WeakPolarHBondContact O-CG 3.32Å; I5-L9 PolarHBondContact O-N 2.83Å
6N74.4Confident67.8Low86 Ų86118 Ų11846%0.4657%0.573SS.*Hα-helixtrans-63.5-44.8175.8-73.8-10000111.9L2 L8 L9 D10L2-N6 WeakPolarHBondContact O-CB 3.47Å; L2-N6 PolarHBondContact O-N 2.89Å; N6-L8 VanDerWaalsContact C-N 3.28Å; N6-L8 PolarHBondContact O-N 3.25Å; N6-L9 PolarHBondContact O-N 3.35Å; N6-D10 WeakPolarHBondContact O-CB 3.36Å; N6-D10 PolarHBondContact O-N 2.99Å
7R70.3Confident67.6Low197 Ų197122.2 Ų122.274%0.74358%0.582SS**Hα-helixtrans-60.3-38.2173.8-78.9-177.7177.7-176.9-0.4112.7A3 L4 W11A3-R7 WeakPolarHBondContact O-CG 3.42Å; A3-R7 PolarHBondContact O-N 3.35Å; A3-R7 VanDerWaalsContact O-N 3.11Å; L4-R7 PolarHBondContact O-N 3.25Å; R7-W11 VanDerWaalsContact O-CB 3.32Å; R7-W11 WeakPolarHBondContact O-CB 3.44Å; R7-W11 PolarHBondContact O-N 3.47Å
8L75.2Confident67.7Low97 Ų97123.9 Ų123.951%0.50859%0.586SS.*Hα-helixtrans-70.8-38.6178.9-144.1123.3000111.3L4 I5 N6 W11 F12L4-L8 WeakPolarHBondContact O-CB 3.42Å; L4-L8 PolarHBondContact O-N 3.43Å; I5-L8 PolarHBondContact O-N 2.81Å; N6-L8 VanDerWaalsContact C-N 3.28Å; N6-L8 PolarHBondContact O-N 3.25Å; L8-W11 PolarHBondContact O-N 2.96Å; L8-F12 HydrophobicContact CD2-CD2 3.98Å; L8-F12 HydrophobicContact CD2-CE2 3.94Å; L8-F12 WeakPolarHBondContact O-CB 3.35Å; L8-F12 WeakPolarHBondContact O-CD2 3.38Å; L8-F12 PolarHBondContact O-N 2.76Å
9L76.1Confident68.4Low86 Ų86120.7 Ų120.745%0.4557%0.571SS.*Hα-helixtrans-67.7-40173.7-78.2166.8000112.4I5 N6 W11 F12 R13I5-L9 HydrophobicContact CG2-CD1 3.82Å; I5-L9 HydrophobicContact CG2-CG 4.4Å; I5-L9 WeakPolarHBondContact O-CB 3.42Å; I5-L9 WeakPolarHBondContact O-CG 3.32Å; I5-L9 PolarHBondContact O-N 2.83Å; N6-L9 PolarHBondContact O-N 3.35Å; L9-W11 VanDerWaalsContact C-N 3.34Å; L9-F12 PolarHBondContact O-N 3.46Å; L9-R13 WeakPolarHBondContact O-CB 3.29Å; L9-R13 VanDerWaalsContact O-CG 3.29Å; L9-R13 WeakPolarHBondContact O-CG 3.35Å; L9-R13 PolarHBondContact O-N 2.68Å
10D70Confident69.3Low94 Ų94120.4 Ų120.450%0.50357%0.569SS.*Hα-helixtrans-66-39.3175-69.8-26.7000111N6 R13 S14N6-D10 WeakPolarHBondContact O-CB 3.36Å; N6-D10 PolarHBondContact O-N 2.99Å; D10-R13 PolarHBondContact O-N 2.88Å; D10-S14 WeakPolarHBondContact O-CB 3.41Å; D10-S14 PolarHBondContact O-N 3.36Å
11W69.5Low70.3Confident148 Ų148114.6 Ų114.656%0.56154%0.542SS*.Hα-helixtrans-62.8-47.8172.118076.2000111.6R7 L8 L9 R13 S14 L15R7-W11 VanDerWaalsContact O-CB 3.32Å; R7-W11 WeakPolarHBondContact O-CB 3.44Å; R7-W11 PolarHBondContact O-N 3.47Å; L8-W11 PolarHBondContact O-N 2.96Å; L9-W11 VanDerWaalsContact C-N 3.34Å; W11-R13 PolarHBondContact O-N 3.08Å; W11-S14 PolarHBondContact O-N 2.83Å; W11-S14 PolarHBondContact O-OG 3.48Å; W11-L15 HydrophobicContact CD2-CD1 3.84Å; W11-L15 HydrophobicContact CE3-CD1 3.8Å; W11-L15 HydrophobicContact CH2-CD1 3.61Å; W11-L15 HydrophobicContact CZ2-CD1 3.64Å; W11-L15 HydrophobicContact CZ3-CD1 3.68Å; W11-L15 PolarHBondContact O-N 3.42Å; W11-L15 VanDerWaalsContact O-N 3.08Å
12F67.1Low72.1Confident100 Ų100108.4 Ų108.444%0.43951%0.51SS..Hα-helixtrans-60.4-43.1174.4-101-83.3000112.2L8 L9 S14 L15 F16L8-F12 HydrophobicContact CD2-CD2 3.98Å; L8-F12 HydrophobicContact CD2-CE2 3.94Å; L8-F12 WeakPolarHBondContact O-CB 3.35Å; L8-F12 WeakPolarHBondContact O-CD2 3.38Å; L8-F12 PolarHBondContact O-N 2.76Å; L9-F12 PolarHBondContact O-N 3.46Å; F12-S14 VanDerWaalsContact C-N 3.34Å; F12-S14 PolarHBondContact O-N 3.18Å; F12-L15 WeakPolarHBondContact O-CB 3.12Å; F12-L15 PolarHBondContact O-N 2.85Å; F12-F16 HydrophobicContact CD1-CD2 4.44Å; F12-F16 AromaticContact CD1-CE2 3.92Å; F12-F16 HydrophobicContact CD1-CE2 3.92Å; F12-F16 HydrophobicContact CE1-CE2 4.37Å; F12-F16 VanDerWaalsContact O-CD2 3.25Å; F12-F16 WeakPolarHBondContact O-CD2 3.31Å; F12-F16 PolarHBondContact O-N 3.32Å
13R64.7Low73.6Confident157 Ų157102 Ų10259%0.59248%0.477SS*.Hα-helixtrans-63-42.3175.3-77.3174175.2-175.4-2.9111.1L9 D10 W11 L15 F16 W17L9-R13 WeakPolarHBondContact O-CB 3.29Å; L9-R13 VanDerWaalsContact O-CG 3.29Å; L9-R13 WeakPolarHBondContact O-CG 3.35Å; L9-R13 PolarHBondContact O-N 2.68Å; D10-R13 PolarHBondContact O-N 2.88Å; W11-R13 PolarHBondContact O-N 3.08Å; R13-L15 PolarHBondContact O-N 3.08Å; R13-F16 PolarHBondContact O-N 3.21Å; R13-F16 VanDerWaalsContact O-N 3.08Å; R13-W17 WeakPolarHBondContact O-CB 3.43Å; R13-W17 PolarHBondContact O-N 3.24Å
14S64.6Low75Confident44 Ų4498.6 Ų98.631%0.30845%0.449SS..Hα-helixtrans-60.7-31.5176.380.10000112.4D10 W11 F12 N64D10-S14 WeakPolarHBondContact O-CB 3.41Å; D10-S14 PolarHBondContact O-N 3.36Å; W11-S14 PolarHBondContact O-N 2.83Å; W11-S14 PolarHBondContact O-OG 3.48Å; F12-S14 VanDerWaalsContact C-N 3.34Å; F12-S14 PolarHBondContact O-N 3.18Å; S14-N64 PolarHBondContact O-ND2 3.31Å; S14-N64 PolarHBondContact O-OD1 2.94Å
15L58Low76.2Confident96 Ų9692.4 Ų92.450%0.50342%0.417SS..Hα-helixtrans-70.5-29175.8-78.2159.5000113.8W11 F12 R13W11-L15 HydrophobicContact CD2-CD1 3.84Å; W11-L15 HydrophobicContact CE3-CD1 3.8Å; W11-L15 HydrophobicContact CH2-CD1 3.61Å; W11-L15 HydrophobicContact CZ2-CD1 3.64Å; W11-L15 HydrophobicContact CZ3-CD1 3.68Å; W11-L15 PolarHBondContact O-N 3.42Å; W11-L15 VanDerWaalsContact O-N 3.08Å; F12-L15 WeakPolarHBondContact O-CB 3.12Å; F12-L15 PolarHBondContact O-N 2.85Å; R13-L15 PolarHBondContact O-N 3.08Å
16F57.7Low77Confident160 Ų16088.3 Ų88.370%0.70240%0.395SS*.Hα-helixtrans-103.6-24.4-175-74.9-73.1000114.2F12 R13F12-F16 HydrophobicContact CD1-CD2 4.44Å; F12-F16 AromaticContact CD1-CE2 3.92Å; F12-F16 HydrophobicContact CD1-CE2 3.92Å; F12-F16 HydrophobicContact CE1-CE2 4.37Å; F12-F16 VanDerWaalsContact O-CD2 3.25Å; F12-F16 WeakPolarHBondContact O-CD2 3.31Å; F12-F16 PolarHBondContact O-N 3.32Å; R13-F16 PolarHBondContact O-N 3.21Å; R13-F16 VanDerWaalsContact O-N 3.08Å
17W64.8Low78.1Confident189 Ų18984.2 Ų84.272%0.71637%0.374SS*.  trans-112116.2-174.4-60.993.3000110.5R13R13-W17 WeakPolarHBondContact O-CB 3.43Å; R13-W17 PolarHBondContact O-N 3.24Å
18K68.8Low79.4Confident153 Ų15375.4 Ų75.467%0.66534%0.341SS*.PPolyproline II helixtrans-84.8123.2169.2-68.6-177-179.6-179.50108.8N64K18-N64 CarbonylContact C-O 3.49Å; K18-N64 WeakPolarHBondContact CA-O 3.47Å
19E82.1Confident80.2Confident63 Ų6373.9 Ų73.929%0.29433%0.331SS..EExtended strand (participates in β ladder)trans-79.7133.2172-67.8-179.3-172.600108.9N64 V65 T66 S181 K182E19-N64 PolarHBondContact N-O 3.37Å; E19-V65 HydrophobicContact CB-CG2 4.3Å; E19-V65 CarbonylContact O-C 3.54Å; E19-V65 VanDerWaalsContact O-CA 3.32Å; E19-V65 WeakPolarHBondContact O-CA 3.46Å; E19-T66 PolarHBondContact O-N 3.34Å; E19-S181 PolarHBondContact OE2-OG 3.35Å; E19-K182 WeakPolarHBondContact OE1-CE 3.49Å; E19-K182 IonicContact OE1-NZ 3.88Å; E19-K182 VanDerWaalsContact OE2-CG 3.31Å; E19-K182 WeakPolarHBondContact OE2-CG 3.31Å
20E85.8Confident81.1Confident114 Ų11475.9 Ų75.953%0.53333%0.334SS..EExtended strand (participates in β ladder)trans-103.8129.7170.6-66.3-158.3165.200109.3T66 K68E20-T66 WeakPolarHBondContact CA-O 3.25Å; E20-K68 WeakPolarHBondContact OE2-CE 3.46Å; E20-K68 IonicContact OE2-NZ 3.75Å; E20-K68 PolarHBondContact OE2-NZ 2.86Å
21M90.1Very high82.3Confident0 Ų071.5 Ų71.50%031%0.311CS..EExtended strand (participates in β ladder)trans-118.6138.1173.5-174.3-170-163.700108.5L23 V65 T66 I67 K68 N90 A91 L177 H180M21-L23 HydrophobicContact SD-CD2 4.32Å; M21-V65 HydrophobicContact CB-CG1 4.35Å; M21-T66 PolarHBondContact N-O 2.92Å; M21-I67 CarbonylContact O-C 3.45Å; M21-I67 WeakPolarHBondContact O-CA 3.49Å; M21-K68 PolarHBondContact O-N 2.8Å; M21-N90 WeakPolarHBondContact CA-OD1 3.32Å; M21-N90 HydrophobicContact CE-CB 3.67Å; M21-N90 HydrophobicContact CG-CB 3.67Å; M21-A91 HydrophobicContact CE-CB 3.81Å; M21-L177 HydrophobicContact CE-CB 4.49Å; M21-L177 HydrophobicContact CE-CD2 4.12Å; M21-L177 VanDerWaalsContact CE-O 3.31Å; M21-L177 WeakPolarHBondContact CE-O 3.42Å; M21-L177 HydrophobicContact SD-CB 4.27Å; M21-H180 HydrophobicContact CE-CB 3.95Å
22E92.9Very high83.5Confident69 Ų6965 Ų6532%0.32229%0.29SS..EExtended strand (participates in β ladder)trans-110.1129.2167.3-54.6-158.3173.600109.1K68 V89 N90E22-K68 HydrophobicContact CG-CB 4.17Å; E22-K68 HydrophobicContact CG-CD 4.06Å; E22-K68 HydrophobicContact CG-CG 4.42Å; E22-K68 WeakPolarHBondContact OE1-CD 3.48Å; E22-K68 IonicContact OE1-NZ 2.88Å; E22-K68 PolarHBondContact OE1-NZ 2.92Å; E22-V89 WeakPolarHBondContact O-CB 3.43Å; E22-N90 PolarHBondContact N-OD1 3.14Å; E22-N90 WeakPolarHBondContact O-CB 3.46Å; E22-N90 PolarHBondContact O-N 2.92Å; E22-N90 PolarHBondContact O-OD1 3.09Å
23L94.3Very high84.8Confident1 Ų160.9 Ų60.91%0.00527%0.272CS..EExtended strand (participates in β ladder)trans-134.9156.2173.370.781.6000110.3M21 I67 K68 I69 W70 A91 V93 L177M21-L23 HydrophobicContact SD-CD2 4.32Å; L23-I67 HydrophobicContact CD2-CG2 3.42Å; L23-I67 VanDerWaalsContact CD2-CG2 3.42Å; L23-I67 HydrophobicContact CG-CG2 3.79Å; L23-K68 PolarHBondContact N-O 3.21Å; L23-I69 HydrophobicContact CD1-CB 4.17Å; L23-I69 HydrophobicContact CD1-CD1 4.48Å; L23-I69 HydrophobicContact CD1-CG1 3.87Å; L23-I69 HydrophobicContact CD1-CG2 3.75Å; L23-I69 HydrophobicContact CD2-CG1 4.46Å; L23-I69 HydrophobicContact CG-CG1 4.05Å; L23-I69 WeakPolarHBondContact O-CA 3.46Å; L23-W70 PolarHBondContact O-N 3.25Å; L23-W70 VanDerWaalsContact O-N 3.09Å; L23-A91 VanDerWaalsContact CA-O 3.31Å; L23-A91 WeakPolarHBondContact CA-O 3.37Å; L23-A91 VanDerWaalsContact CB-O 3.3Å; L23-A91 WeakPolarHBondContact CB-O 3.43Å; L23-V93 HydrophobicContact CD1-CG2 4.04Å; L23-V93 HydrophobicContact CD2-CG2 4.34Å; L23-L177 HydrophobicContact CD2-CD1 3.71Å; L23-L177 HydrophobicContact CD2-CD2 3.56Å; L23-L177 HydrophobicContact CD2-CG 4.18Å
24T96.4Very high86Confident0 Ų054.4 Ų54.40%025%0.25CC..EExtended strand (participates in β ladder)trans-116132.9175.8-73.30000110.3V26 W70 I72 Y85 C86 A91 V93T24-V26 HydrophobicContact CG2-CG1 3.66Å; T24-W70 HydrophobicContact CG2-CB 4.44Å; T24-I72 HydrophobicContact CG2-CG1 4.09Å; T24-Y85 PolarHBondContact OG1-O 2.9Å; T24-C86 WeakPolarHBondContact CG2-SG 3.3Å; T24-A91 PolarHBondContact N-O 3.28Å; T24-V93 PolarHBondContact O-N 3.19Å
25L96.9Very high87.4Confident0 Ų053.2 Ų53.20%024%0.241CC..EExtended strand (participates in β ladder)trans-106.7110.4179.1-179.161.7000109.3K33 F36 V37 I69 W70 I72 V93 M95L25-K33 HydrophobicContact CD1-CG 4.13Å; L25-K33 HydrophobicContact CD2-CB 3.64Å; L25-K33 HydrophobicContact CD2-CG 4.15Å; L25-K33 VanDerWaalsContact CD2-O 3.3Å; L25-K33 WeakPolarHBondContact CD2-O 3.35Å; L25-K33 HydrophobicContact CG-CB 3.82Å; L25-K33 HydrophobicContact CG-CD 4.03Å; L25-K33 HydrophobicContact CG-CG 3.78Å; L25-F36 HydrophobicContact CD2-CD1 3.97Å; L25-V37 HydrophobicContact CD2-CG2 3.46Å; L25-V37 VanDerWaalsContact CD2-CG2 3.46Å; L25-I69 HydrophobicContact CB-CG2 4.04Å; L25-W70 PolarHBondContact N-O 2.88Å; L25-I72 PolarHBondContact O-N 3.37Å; L25-V93 WeakPolarHBondContact CA-O 3.42Å; L25-V93 HydrophobicContact CD1-CB 3.82Å; L25-V93 HydrophobicContact CD1-CG1 3.54Å; L25-M95 HydrophobicContact CD1-CB 4.17Å; L25-M95 HydrophobicContact CD1-CE 4.07Å
26V97.4Very high89Confident0 Ų048.7 Ų48.70%022%0.217CC..EExtended strand (participates in β ladder)trans-130.7167.2-175.1-75.90000110.9T24 I72 W82 I92 V93 Y94 M95 L114T24-V26 HydrophobicContact CG2-CG1 3.66Å; V26-I72 HydrophobicContact CG1-CB 4.1Å; V26-I72 HydrophobicContact CG1-CG1 4.1Å; V26-W82 HydrophobicContact CB-CD2 4.08Å; V26-W82 HydrophobicContact CB-CE3 4.31Å; V26-W82 HydrophobicContact CB-CG 4.33Å; V26-W82 HydrophobicContact CG1-CB 4.04Å; V26-W82 HydrophobicContact CG1-CD2 4.01Å; V26-W82 HydrophobicContact CG1-CG 3.73Å; V26-I92 HydrophobicContact CG2-CG2 3.8Å; V26-V93 PolarHBondContact N-O 2.94Å; V26-Y94 HydrophobicContact CG2-CD2 3.96Å; V26-Y94 WeakPolarHBondContact O-CA 3.26Å; V26-M95 PolarHBondContact O-N 3.08Å; V26-L114 HydrophobicContact CG2-CD2 3.91Å
27G97.5Very high90.6Very high0 Ų041.1 Ų41.10%018%0.184CC..  trans138.9168.4-174.500000111.5K33 G74 W82G27-K33 PolarHBondContact O-NZ 2.96Å; G27-G74 VanDerWaalsContact O-CA 3.29Å; G27-G74 WeakPolarHBondContact O-CA 3.47Å; G27-W82 WeakPolarHBondContact O-CZ2 3.31Å
28L96.5Very high91.7Very high13 Ų1333.1 Ų33.17%0.06816%0.155CC..SBendtrans-58.5158.8-176.4-60.8-173.6000112.7S31 K33 R79 K103 A106 E110L28-S31 WeakPolarHBondContact O-CB 3.44Å; L28-S31 PolarHBondContact O-N 3.39Å; L28-S31 PolarHBondContact O-OG 3.25Å; L28-K33 PolarHBondContact O-NZ 3.34Å; L28-R79 VanDerWaalsContact CD2-NH2 3.33Å; L28-K103 HydrophobicContact CD1-CB 3.97Å; L28-A106 HydrophobicContact CD1-CB 4.26Å; L28-E110 HydrophobicContact CD2-CG 4.2Å
29Q93.9Very high92.7Very high64 Ų6426.3 Ų26.330%0.29913%0.126SC..THydrogen-bonded Turntrans-58.3148.4172.259.5175.315.800111.1S31 G74Q29-S31 PolarHBondContact O-N 2.96Å; Q29-G74 PolarHBondContact N-O 3.44Å
30Y93.6Very high92.9Very high129 Ų12924.3 Ų24.351%0.50612%0.117SC..THydrogen-bonded Turntrans666.1-178.6-49.4-73.4000117.2G32 P51 K131Y30-G32 PolarHBondContact O-N 3.44Å; Y30-P51 HydrophobicContact CD1-CG 3.85Å; Y30-P51 HydrophobicContact CE1-CG 3.14Å; Y30-P51 HydrophobicContact CE2-CG 4.29Å; Y30-P51 WeakPolarHBondContact OH-CG 3.48Å; Y30-K131 VanDerWaalsContact O-CE 3.31Å; Y30-K131 WeakPolarHBondContact O-CE 3.44Å; Y30-K131 PolarHBondContact O-NZ 3.22Å
31S96.1Very high92.7Very high2 Ų221.3 Ų21.31%0.01411%0.109CC..SBendtrans-67.7-12.5173.354.10000114.9L28 Q29 K33 M95 N130L28-S31 WeakPolarHBondContact O-CB 3.44Å; L28-S31 PolarHBondContact O-N 3.39Å; L28-S31 PolarHBondContact O-OG 3.25Å; Q29-S31 PolarHBondContact O-N 2.96Å; S31-K33 PolarHBondContact OG-NZ 3.48Å; S31-M95 WeakPolarHBondContact CB-O 3.32Å; S31-M95 WeakPolarHBondContact O-CG 3.47Å; S31-N130 PolarHBondContact O-ND2 2.77Å
32G94.4Very high91.9Very high12 Ų1224.7 Ų24.712%0.12413%0.133CC..SBendtrans9422.1177.600000115Y30 T35 F36Y30-G32 PolarHBondContact O-N 3.44Å; G32-T35 WeakPolarHBondContact O-CB 3.37Å; G32-T35 PolarHBondContact O-N 3.29Å; G32-F36 WeakPolarHBondContact O-CB 3.49Å; G32-F36 PolarHBondContact O-N 3.16Å
33K94.3Very high90.5Very high12 Ų1223 Ų235%0.05213%0.133CC..Hα-helixtrans-53.3-57.4176.1-67-174.7-61.1-67.10113.3L25 G27 L28 S31 T35 F36 V37 D71 I72 M95L25-K33 HydrophobicContact CD1-CG 4.13Å; L25-K33 HydrophobicContact CD2-CB 3.64Å; L25-K33 HydrophobicContact CD2-CG 4.15Å; L25-K33 VanDerWaalsContact CD2-O 3.3Å; L25-K33 WeakPolarHBondContact CD2-O 3.35Å; L25-K33 HydrophobicContact CG-CB 3.82Å; L25-K33 HydrophobicContact CG-CD 4.03Å; L25-K33 HydrophobicContact CG-CG 3.78Å; G27-K33 PolarHBondContact O-NZ 2.96Å; L28-K33 PolarHBondContact O-NZ 3.34Å; S31-K33 PolarHBondContact OG-NZ 3.48Å; K33-T35 VanDerWaalsContact C-N 3.26Å; K33-T35 PolarHBondContact O-N 3.34Å; K33-F36 WeakPolarHBondContact O-CB 3.39Å; K33-F36 PolarHBondContact O-N 3.07Å; K33-F36 VanDerWaalsContact O-N 3.11Å; K33-V37 WeakPolarHBondContact O-CG2 3.45Å; K33-V37 PolarHBondContact O-N 3.35Å; K33-D71 WeakPolarHBondContact CB-OD1 3.42Å; K33-I72 WeakPolarHBondContact CE-O 3.18Å; K33-M95 HydrophobicContact CD-CB 4.49Å; K33-M95 HydrophobicContact CG-CB 3.68Å; K33-M95 HydrophobicContact CG-CG 4.11Å
34T90.7Very high88.8Confident21 Ų2129.6 Ų29.613%0.12916%0.164CC..Hα-helixtrans-65.5-33.3-178.3-37.90000112V37 N38 M49 T52 D71T34-V37 PolarHBondContact O-N 3.47Å; T34-N38 PolarHBondContact O-N 3.33Å; T34-M49 VanDerWaalsContact CB-CE 3.5Å; T34-M49 HydrophobicContact CG2-CE 3.18Å; T34-T52 PolarHBondContact OG1-OG1 3.4Å; T34-D71 WeakPolarHBondContact CB-OD2 3.41Å; T34-D71 PolarHBondContact OG1-OD2 3.1Å
35T92.3Very high87Confident20 Ų2033.3 Ų33.312%0.12318%0.18CC..Hα-helixtrans-61.4-47.9171.8-51.20000111.2G32 K33 V37 N38 V39 F45 C164G32-T35 WeakPolarHBondContact O-CB 3.37Å; G32-T35 PolarHBondContact O-N 3.29Å; K33-T35 VanDerWaalsContact C-N 3.26Å; K33-T35 PolarHBondContact O-N 3.34Å; T35-V37 VanDerWaalsContact C-N 3.32Å; T35-V37 PolarHBondContact O-N 2.78Å; T35-N38 WeakPolarHBondContact O-CB 3.33Å; T35-N38 PolarHBondContact O-N 3.31Å; T35-V39 HydrophobicContact CG2-CG2 4.5Å; T35-V39 VanDerWaalsContact O-CG2 3.31Å; T35-V39 WeakPolarHBondContact O-CG2 3.47Å; T35-V39 PolarHBondContact O-N 2.96Å; T35-F45 HydrophobicContact CG2-CD2 3.34Å; T35-F45 HydrophobicContact CG2-CE2 3.41Å; T35-F45 VanDerWaalsContact CG2-CE2 3.41Å; T35-C164 HydrophobicContact CG2-CB 3.78Å
36F93.5Very high85.3Confident1 Ų135.9 Ų35.90%0.00420%0.198CC..Hα-helixtrans-56.2-48.4175.3175.1-101000110.8L25 G32 K33 N38 V39 I40 M95 L128 I170 T173L25-F36 HydrophobicContact CD2-CD1 3.97Å; G32-F36 WeakPolarHBondContact O-CB 3.49Å; G32-F36 PolarHBondContact O-N 3.16Å; K33-F36 WeakPolarHBondContact O-CB 3.39Å; K33-F36 PolarHBondContact O-N 3.07Å; K33-F36 VanDerWaalsContact O-N 3.11Å; F36-N38 PolarHBondContact O-N 2.82Å; F36-V39 PolarHBondContact O-N 2.74Å; F36-I40 HydrophobicContact CD1-CD1 4.18Å; F36-I40 HydrophobicContact CD2-CG2 4.4Å; F36-I40 HydrophobicContact CE1-CD1 3.76Å; F36-I40 HydrophobicContact CE1-CG2 4.36Å; F36-I40 HydrophobicContact CE2-CG2 3.98Å; F36-I40 HydrophobicContact CZ-CD1 4.28Å; F36-I40 HydrophobicContact CZ-CG2 3.95Å; F36-I40 WeakPolarHBondContact O-CG1 3.29Å; F36-I40 PolarHBondContact O-N 2.84Å; F36-M95 HydrophobicContact CB-CE 3.46Å; F36-M95 VanDerWaalsContact CB-CE 3.46Å; F36-M95 HydrophobicContact CD1-CE 4.08Å; F36-M95 HydrophobicContact CD2-CE 3.98Å; F36-M95 HydrophobicContact CG-CE 3.57Å; F36-L128 HydrophobicContact CD2-CD1 4.33Å; F36-L128 HydrophobicContact CE2-CD1 3.91Å; F36-L128 HydrophobicContact CZ-CD1 4.04Å; F36-I170 HydrophobicContact CD2-CD1 4.07Å; F36-I170 HydrophobicContact CE2-CD1 4.09Å; F36-T173 HydrophobicContact CE2-CG2 3.81Å; F36-T173 HydrophobicContact CZ-CG2 3.65Å
37V90.6Very high83.1Confident0 Ų042.9 Ų42.90%023%0.231CC..Hα-helixtrans-58.8-44176.8-179.20000111.8L25 K33 T34 T35 I40 S41 R58 I69 D71L25-V37 HydrophobicContact CD2-CG2 3.46Å; L25-V37 VanDerWaalsContact CD2-CG2 3.46Å; K33-V37 WeakPolarHBondContact O-CG2 3.45Å; K33-V37 PolarHBondContact O-N 3.35Å; T34-V37 PolarHBondContact O-N 3.47Å; T35-V37 VanDerWaalsContact C-N 3.32Å; T35-V37 PolarHBondContact O-N 2.78Å; V37-I40 VanDerWaalsContact O-CG1 3.27Å; V37-I40 WeakPolarHBondContact O-CG1 3.28Å; V37-S41 VanDerWaalsContact O-CB 3.23Å; V37-S41 WeakPolarHBondContact O-CB 3.31Å; V37-S41 PolarHBondContact O-N 3.24Å; V37-S41 PolarHBondContact O-OG 3.22Å; V37-R58 HydrophobicContact CG1-CB 3.87Å; V37-R58 HydrophobicContact CG1-CG 3.93Å; V37-I69 HydrophobicContact CG2-CG2 3.87Å; V37-D71 HydrophobicContact CG2-CB 4.41Å
38N88.5Confident81.2Confident22 Ų2250.1 Ų50.112%0.11827%0.27CS..Hα-helixtrans-58.9-48.9175.1-73.5-11.6000111.5T34 T35 F36 I40 S41 S42 M49 R58T34-N38 PolarHBondContact O-N 3.33Å; T35-N38 WeakPolarHBondContact O-CB 3.33Å; T35-N38 PolarHBondContact O-N 3.31Å; F36-N38 PolarHBondContact O-N 2.82Å; N38-I40 VanDerWaalsContact C-N 3.34Å; N38-I40 PolarHBondContact O-N 3.33Å; N38-S41 PolarHBondContact O-N 3.48Å; N38-S41 VanDerWaalsContact O-N 3.12Å; N38-S42 PolarHBondContact O-N 3.08Å; N38-S42 PolarHBondContact O-OG 3.43Å; N38-S42 VanDerWaalsContact O-OG 3.09Å; N38-M49 WeakPolarHBondContact ND2-CE 3.32Å; N38-M49 PolarHBondContact ND2-SD 3.47Å; N38-R58 PolarHBondContact OD1-NH1 3.29Å; N38-R58 PolarHBondContact OD1-NH2 3.21Å; N38-R58 VanDerWaalsContact OD1-NH2 3.12Å
39V89.5Confident79.6Confident10 Ų1052.2 Ų52.26%0.06128%0.28CS..Hα-helixtrans-60.4-43.8-177.1169.80000111.2T35 F36 G43 F45 C164 K167 I170T35-V39 HydrophobicContact CG2-CG2 4.5Å; T35-V39 VanDerWaalsContact O-CG2 3.31Å; T35-V39 WeakPolarHBondContact O-CG2 3.47Å; T35-V39 PolarHBondContact O-N 2.96Å; F36-V39 PolarHBondContact O-N 2.74Å; V39-G43 WeakPolarHBondContact O-CA 3.39Å; V39-G43 PolarHBondContact O-N 3.04Å; V39-F45 HydrophobicContact CG2-CB 4.48Å; V39-C164 HydrophobicContact CG2-CB 4.32Å; V39-C164 WeakPolarHBondContact CG2-O 3.39Å; V39-K167 HydrophobicContact CG1-CG 4.13Å; V39-I170 HydrophobicContact CG1-CG1 4.39Å; V39-I170 HydrophobicContact CG1-CG2 4.3Å
40I85.9Confident78.2Confident20 Ų2056.1 Ų56.110%0.10330%0.301CS..Hα-helixtrans-76-24.1177.866.5176.2000113.3F36 V37 N38 V60 I69 I170 L174F36-I40 HydrophobicContact CD1-CD1 4.18Å; F36-I40 HydrophobicContact CD2-CG2 4.4Å; F36-I40 HydrophobicContact CE1-CD1 3.76Å; F36-I40 HydrophobicContact CE1-CG2 4.36Å; F36-I40 HydrophobicContact CE2-CG2 3.98Å; F36-I40 HydrophobicContact CZ-CD1 4.28Å; F36-I40 HydrophobicContact CZ-CG2 3.95Å; F36-I40 WeakPolarHBondContact O-CG1 3.29Å; F36-I40 PolarHBondContact O-N 2.84Å; V37-I40 VanDerWaalsContact O-CG1 3.27Å; V37-I40 WeakPolarHBondContact O-CG1 3.28Å; N38-I40 VanDerWaalsContact C-N 3.34Å; N38-I40 PolarHBondContact O-N 3.33Å; I40-V60 HydrophobicContact CD1-CG2 4.29Å; I40-V60 HydrophobicContact CG1-CG2 4.16Å; I40-V60 VanDerWaalsContact O-CG1 3.23Å; I40-V60 WeakPolarHBondContact O-CG1 3.24Å; I40-I69 HydrophobicContact CD1-CD1 3.23Å; I40-I69 HydrophobicContact CG1-CD1 4.4Å; I40-I170 HydrophobicContact CG2-CG2 3.85Å; I40-L174 HydrophobicContact CB-CD2 4.32Å; I40-L174 HydrophobicContact CG2-CD1 4.22Å; I40-L174 HydrophobicContact CG2-CD2 4.05Å; I40-L174 HydrophobicContact CG2-CG 4.34Å
41S81.4Confident76.6Confident52 Ų5251.5 Ų51.536%0.36429%0.287SS..Hα-helixtrans-83.1-49.2-178.7-56.30000112.8V37 N38 V60V37-S41 VanDerWaalsContact O-CB 3.23Å; V37-S41 WeakPolarHBondContact O-CB 3.31Å; V37-S41 PolarHBondContact O-N 3.24Å; V37-S41 PolarHBondContact O-OG 3.22Å; N38-S41 PolarHBondContact O-N 3.48Å; N38-S41 VanDerWaalsContact O-N 3.12Å; S41-V60 WeakPolarHBondContact OG-CG2 3.5Å
42S72.7Confident75.3Confident71 Ų7152.7 Ų52.750%0.49729%0.294SS..Hα-helixtrans-121.5-5.1-169.961.20000113.4N38 Q44N38-S42 PolarHBondContact O-N 3.08Å; N38-S42 PolarHBondContact O-OG 3.43Å; N38-S42 VanDerWaalsContact O-OG 3.09Å; S42-Q44 PolarHBondContact O-N 3.36Å; S42-Q44 PolarHBondContact OG-N 3.17Å
43G63.3Low74.2Confident32 Ų3257 Ų5733%0.3332%0.318SS..SBendtrans686.9-172.500000113.6V39 K167V39-G43 WeakPolarHBondContact O-CA 3.39Å; V39-G43 PolarHBondContact O-N 3.04Å; G43-K167 VanDerWaalsContact O-CE 3.26Å; G43-K167 WeakPolarHBondContact O-CE 3.35Å; G43-K167 PolarHBondContact O-NZ 2.87Å
44Q59.7Low73.5Confident141 Ų14157.1 Ų57.166%0.65932%0.322SS*.  trans-106133.2-177.8-66.6-176.2-10.700111.1S42S42-Q44 PolarHBondContact O-N 3.36Å; S42-Q44 PolarHBondContact OG-N 3.17Å
45F57.5Low73Confident77 Ų7760.9 Ų60.934%0.33834%0.337SS..  trans-94.9144.9168.1173.1-106.1000108.9T35 V39 E47 K165T35-F45 HydrophobicContact CG2-CD2 3.34Å; T35-F45 HydrophobicContact CG2-CE2 3.41Å; T35-F45 VanDerWaalsContact CG2-CE2 3.41Å; V39-F45 HydrophobicContact CG2-CB 4.48Å; F45-E47 HydrophobicContact CD1-CG 4.16Å; F45-E47 HydrophobicContact CE1-CB 4.34Å; F45-E47 HydrophobicContact CE1-CG 3.29Å; F45-E47 HydrophobicContact CZ-CG 3.92Å; F45-K165 HydrophobicContact CE1-CG 4.07Å; F45-K165 HydrophobicContact CE2-CB 4.3Å; F45-K165 HydrophobicContact CZ-CB 4.28Å; F45-K165 HydrophobicContact CZ-CG 4.19Å
46S61.4Low72.6Confident54 Ų5463.2 Ų63.238%0.37835%0.349SS..  trans-130.6126.5173.7179.90000107.5M49S46-M49 VanDerWaalsContact O-CG 3.31Å; S46-M49 WeakPolarHBondContact O-CG 3.28Å
47E51.5Low72.3Confident148 Ų14866.8 Ų66.869%0.69237%0.367SS*.SBendtrans-71.6-34.5-178.1-77.6-175.4159.200112F45 M49F45-E47 HydrophobicContact CD1-CG 4.16Å; F45-E47 HydrophobicContact CE1-CB 4.34Å; F45-E47 HydrophobicContact CE1-CG 3.29Å; F45-E47 HydrophobicContact CZ-CG 3.92Å; E47-M49 VanDerWaalsContact C-N 3.33Å; E47-M49 PolarHBondContact O-N 2.98Å; E47-M49 VanDerWaalsContact O-N 3.11Å
48D58.6Low72Confident151 Ų15170 Ų7081%0.80738%0.379SS*.  trans-90.753.8-174.3-62.5-42.8000113.3
49M62.4Low71.8Confident57 Ų5774.8 Ų74.828%0.28140%0.398SS..PPolyproline II helixtrans-86.7117.4178.6-68.7-67.8-72.100112T34 N38 S46 E47T34-M49 VanDerWaalsContact CB-CE 3.5Å; T34-M49 HydrophobicContact CG2-CE 3.18Å; N38-M49 WeakPolarHBondContact ND2-CE 3.32Å; N38-M49 PolarHBondContact ND2-SD 3.47Å; S46-M49 VanDerWaalsContact O-CG 3.31Å; S46-M49 WeakPolarHBondContact O-CG 3.28Å; E47-M49 VanDerWaalsContact C-N 3.33Å; E47-M49 PolarHBondContact O-N 2.98Å; E47-M49 VanDerWaalsContact O-N 3.11Å
50I64.6Low71.5Confident147 Ų14774.7 Ų74.775%0.75440%0.398SS*.PPolyproline II helixtrans-81.2143.1173.4-58.7173.5000109.5T52I50-T52 PolarHBondContact O-N 2.95Å
51P59Low71.3Confident31 Ų3177.9 Ų77.920%0.20142%0.418CS..PPolyproline II helixtrans-53.7135.4175-28.936.4000114Y30 V53Y30-P51 HydrophobicContact CD1-CG 3.85Å; Y30-P51 HydrophobicContact CE1-CG 3.14Å; Y30-P51 HydrophobicContact CE2-CG 4.29Å; Y30-P51 WeakPolarHBondContact OH-CG 3.48Å; P51-V53 PolarHBondContact O-N 3.32Å
52T69.4Low70.9Confident27 Ų2780 Ų8017%0.16642%0.421CS..PPolyproline II helixtrans-58.8127.7174.4-52.10000111.7T34 I50 D71T34-T52 PolarHBondContact OG1-OG1 3.4Å; I50-T52 PolarHBondContact O-N 2.95Å; T52-D71 PolarHBondContact OG1-OD2 3.4Å
53V72.5Confident71.1Confident104 Ų10479.7 Ų79.763%0.6343%0.429SS*.PPolyproline II helixtrans-93.7117.4170.1-179.10000108.1P51 F55 F78P51-V53 PolarHBondContact O-N 3.32Å; V53-F55 PolarHBondContact O-N 3.01Å; V53-F78 HydrophobicContact CG1-CE2 4.43Å; V53-F78 HydrophobicContact CG1-CZ 3.89Å
54G78.6Confident71.9Confident13 Ų1381.4 Ų81.413%0.13443%0.431CS..SBendtrans81.8-115.3179.100000112.7G73 F78G54-G73 PolarHBondContact O-N 3.42Å; G54-F78 VanDerWaalsContact N-CE2 3.29Å
55F80.9Confident72.9Confident100 Ų10075.1 Ų75.144%0.43940%0.402SS..EExtended strand (participates in β ladder)trans-147.3153.1-178.761-87.8000110.7V53 W70 D71 I72 M81 Y85V53-F55 PolarHBondContact O-N 3.01Å; F55-W70 HydrophobicContact CD2-CE3 4.31Å; F55-W70 HydrophobicContact CD2-CZ3 4.06Å; F55-W70 HydrophobicContact CE2-CZ3 4.32Å; F55-D71 CarbonylContact C-O 3.56Å; F55-D71 WeakPolarHBondContact CA-O 3.22Å; F55-I72 HydrophobicContact CB-CD1 3.56Å; F55-M81 HydrophobicContact CD1-SD 4.35Å; F55-Y85 HydrophobicContact CD1-CE2 4.34Å; F55-Y85 AromaticContact CD1-CZ 3.99Å; F55-Y85 WeakPolarHBondContact CD1-OH 3.39Å; F55-Y85 HydrophobicContact CD2-CE1 4.11Å; F55-Y85 AromaticContact CD2-CZ 4Å; F55-Y85 VanDerWaalsContact CE1-OH 3.22Å; F55-Y85 WeakPolarHBondContact CE1-OH 3.31Å; F55-Y85 HydrophobicContact CE2-CE1 4.46Å; F55-Y85 WeakPolarHBondContact CE2-OH 3.45Å; F55-Y85 HydrophobicContact CG-CE1 4.32Å; F55-Y85 HydrophobicContact CG-CE2 4.43Å; F55-Y85 AromaticContact CG-CZ 3.89Å; F55-Y85 WeakPolarHBondContact CZ-OH 3.49Å
56N83.8Confident74.2Confident70 Ų7072.1 Ų72.137%0.37439%0.39SS..EExtended strand (participates in β ladder)trans-137.6135.8173-168.4-20.7000109.3D71N56-D71 PolarHBondContact N-O 3.49Å; N56-D71 PolarHBondContact O-N 3.26Å
57M86.1Confident75.5Confident76 Ų7669.6 Ų69.637%0.37437%0.372SS..EExtended strand (participates in β ladder)trans-101.3125171.9-176.3-145.463.600109.2K59 I69 W70M57-K59 HydrophobicContact CE-CG 4.17Å; M57-I69 CarbonylContact C-O 3.53Å; M57-I69 WeakPolarHBondContact CA-O 3.31Å; M57-W70 HydrophobicContact CB-CD2 4.2Å; M57-W70 HydrophobicContact CB-CE3 3.72Å; M57-W70 HydrophobicContact CB-CH2 3.93Å; M57-W70 HydrophobicContact CB-CZ2 4.38Å; M57-W70 HydrophobicContact CB-CZ3 3.59Å; M57-W70 HydrophobicContact CG-CD2 4.24Å; M57-W70 HydrophobicContact CG-CE3 4.25Å; M57-W70 HydrophobicContact CG-CH2 4.11Å; M57-W70 HydrophobicContact CG-CZ2 4.09Å; M57-W70 HydrophobicContact CG-CZ3 4.2Å; M57-W70 HydrophobicContact SD-CH2 4.41Å; M57-W70 HydrophobicContact SD-CZ2 4.38Å
58R85.3Confident77.4Confident67 Ų6764.1 Ų64.125%0.25335%0.346SS..EExtended strand (participates in β ladder)trans-120.5145.4171.9-58.9-145.6-163.6159.7-3.1111.4V37 N38 I69V37-R58 HydrophobicContact CG1-CB 3.87Å; V37-R58 HydrophobicContact CG1-CG 3.93Å; N38-R58 PolarHBondContact OD1-NH1 3.29Å; N38-R58 PolarHBondContact OD1-NH2 3.21Å; N38-R58 VanDerWaalsContact OD1-NH2 3.12Å; R58-I69 PolarHBondContact N-O 2.8Å; R58-I69 PolarHBondContact O-N 3.32Å
59K84.3Confident79Confident122 Ų12257 Ų5753%0.5331%0.308SS..EExtended strand (participates in β ladder)trans-108.7127.3174.1-62.2-167.8179.3-178.10109.3M57 I67 K68M57-K59 HydrophobicContact CE-CG 4.17Å; K59-I67 CarbonylContact C-O 3.57Å; K59-I67 WeakPolarHBondContact CA-O 3.31Å; K59-K68 HydrophobicContact CD-CG 4.45Å; K59-K68 HydrophobicContact CG-CG 4.21Å
60V83.4Confident80.4Confident8 Ų857.1 Ų57.15%0.04831%0.305CS..EExtended strand (participates in β ladder)trans-120.9122.1177.3-1780000107.9I40 S41 I67 I69I40-V60 HydrophobicContact CD1-CG2 4.29Å; I40-V60 HydrophobicContact CG1-CG2 4.16Å; I40-V60 VanDerWaalsContact O-CG1 3.23Å; I40-V60 WeakPolarHBondContact O-CG1 3.24Å; S41-V60 WeakPolarHBondContact OG-CG2 3.5Å; V60-I67 PolarHBondContact N-O 2.92Å; V60-I67 PolarHBondContact O-N 3.47Å; V60-I69 HydrophobicContact CG2-CD1 4.03Å
61T80.9Confident81.6Confident87 Ų8750.1 Ų50.153%0.53427%0.269SS..EExtended strand (participates in β ladder)trans-104.8120176.5-510000108.9V65T61-V65 WeakPolarHBondContact CA-O 3.38Å
62K73.9Confident83Confident97 Ų9748.6 Ų48.642%0.42226%0.26SS..EExtended strand (participates in β ladder)trans-129.5113.9174.6-170.2172.4-178.1179.70109.4N64 V65 L174K62-N64 PolarHBondContact O-N 3.01Å; K62-V65 PolarHBondContact N-O 3.17Å; K62-V65 PolarHBondContact O-N 2.75Å; K62-L174 HydrophobicContact CD-CD1 3.89Å
63G75.4Confident83.8Confident65 Ų6547.3 Ų47.367%0.6725%0.252SS*.THydrogen-bonded Turntrans60.4-123.9-171.200000110.7
64N80.2Confident84.6Confident67 Ų6742.6 Ų42.636%0.35822%0.224SC..THydrogen-bonded Turntrans-95.94.2-179.4-55.5-34000113.2S14 K18 E19 K62S14-N64 PolarHBondContact O-ND2 3.31Å; S14-N64 PolarHBondContact O-OD1 2.94Å; K18-N64 CarbonylContact C-O 3.49Å; K18-N64 WeakPolarHBondContact CA-O 3.47Å; E19-N64 PolarHBondContact N-O 3.37Å; K62-N64 PolarHBondContact O-N 3.01Å
65V80.3Confident85Confident10 Ų1043.9 Ų43.96%0.06123%0.227CC..EExtended strand (participates in β ladder)trans-105.1128.4179.9-172.60000110.2E19 M21 T61 K62 I67 I178E19-V65 HydrophobicContact CB-CG2 4.3Å; E19-V65 CarbonylContact O-C 3.54Å; E19-V65 VanDerWaalsContact O-CA 3.32Å; E19-V65 WeakPolarHBondContact O-CA 3.46Å; M21-V65 HydrophobicContact CB-CG1 4.35Å; T61-V65 WeakPolarHBondContact CA-O 3.38Å; K62-V65 PolarHBondContact N-O 3.17Å; K62-V65 PolarHBondContact O-N 2.75Å; V65-I67 HydrophobicContact CG1-CG1 3.94Å; V65-I178 HydrophobicContact CB-CG1 4.47Å; V65-I178 HydrophobicContact CG2-CG1 4.24Å; V65-I178 HydrophobicContact CG2-CG2 4.06Å
66T86.4Confident85.4Confident14 Ų1443.3 Ų43.39%0.08623%0.233CC..EExtended strand (participates in β ladder)trans-105.3113.2169.3-56.80000108.9E19 E20 M21E19-T66 PolarHBondContact O-N 3.34Å; E20-T66 WeakPolarHBondContact CA-O 3.25Å; M21-T66 PolarHBondContact N-O 2.92Å
67I88.4Confident85.7Confident1 Ų147.4 Ų47.41%0.00524%0.243CC..EExtended strand (participates in β ladder)trans-98118.3-179.4-50.4177.4000108.6M21 L23 K59 V60 V65 I69 L174M21-I67 CarbonylContact O-C 3.45Å; M21-I67 WeakPolarHBondContact O-CA 3.49Å; L23-I67 HydrophobicContact CD2-CG2 3.42Å; L23-I67 VanDerWaalsContact CD2-CG2 3.42Å; L23-I67 HydrophobicContact CG-CG2 3.79Å; K59-I67 CarbonylContact C-O 3.57Å; K59-I67 WeakPolarHBondContact CA-O 3.31Å; V60-I67 PolarHBondContact N-O 2.92Å; V60-I67 PolarHBondContact O-N 3.47Å; V65-I67 HydrophobicContact CG1-CG1 3.94Å; I67-I69 HydrophobicContact CB-CG1 4.42Å; I67-I69 HydrophobicContact CG2-CD1 4.04Å; I67-I69 HydrophobicContact CG2-CG1 3.6Å; I67-L174 HydrophobicContact CD1-CD2 4.49Å
68K90.1Very high85.8Confident32 Ų3245 Ų4514%0.13923%0.231CC..EExtended strand (participates in β ladder)trans-90.6121167.5-53.9-176.9-159148.50108.3E20 M21 E22 L23 K59E20-K68 WeakPolarHBondContact OE2-CE 3.46Å; E20-K68 IonicContact OE2-NZ 3.75Å; E20-K68 PolarHBondContact OE2-NZ 2.86Å; M21-K68 PolarHBondContact O-N 2.8Å; E22-K68 HydrophobicContact CG-CB 4.17Å; E22-K68 HydrophobicContact CG-CD 4.06Å; E22-K68 HydrophobicContact CG-CG 4.42Å; E22-K68 WeakPolarHBondContact OE1-CD 3.48Å; E22-K68 IonicContact OE1-NZ 2.88Å; E22-K68 PolarHBondContact OE1-NZ 2.92Å; L23-K68 PolarHBondContact N-O 3.21Å; K59-K68 HydrophobicContact CD-CG 4.45Å; K59-K68 HydrophobicContact CG-CG 4.21Å
69I92.5Very high86Confident1 Ų144.8 Ų44.81%0.00523%0.23CC..EExtended strand (participates in β ladder)trans-117.3118.5-173.7-55.4179000108.7L23 L25 V37 I40 M57 R58 V60 I67L23-I69 HydrophobicContact CD1-CB 4.17Å; L23-I69 HydrophobicContact CD1-CD1 4.48Å; L23-I69 HydrophobicContact CD1-CG1 3.87Å; L23-I69 HydrophobicContact CD1-CG2 3.75Å; L23-I69 HydrophobicContact CD2-CG1 4.46Å; L23-I69 HydrophobicContact CG-CG1 4.05Å; L23-I69 WeakPolarHBondContact O-CA 3.46Å; L25-I69 HydrophobicContact CB-CG2 4.04Å; V37-I69 HydrophobicContact CG2-CG2 3.87Å; I40-I69 HydrophobicContact CD1-CD1 3.23Å; I40-I69 HydrophobicContact CG1-CD1 4.4Å; M57-I69 CarbonylContact C-O 3.53Å; M57-I69 WeakPolarHBondContact CA-O 3.31Å; R58-I69 PolarHBondContact N-O 2.8Å; R58-I69 PolarHBondContact O-N 3.32Å; V60-I69 HydrophobicContact CG2-CD1 4.03Å; I67-I69 HydrophobicContact CB-CG1 4.42Å; I67-I69 HydrophobicContact CG2-CD1 4.04Å; I67-I69 HydrophobicContact CG2-CG1 3.6Å
70W92.4Very high86.2Confident60 Ų6043.1 Ų43.123%0.22723%0.234CC..EExtended strand (participates in β ladder)trans-89.7100.5169.5-63.3101.1000109.5L23 T24 L25 F55 M57 I72 Y85L23-W70 PolarHBondContact O-N 3.25Å; L23-W70 VanDerWaalsContact O-N 3.09Å; T24-W70 HydrophobicContact CG2-CB 4.44Å; L25-W70 PolarHBondContact N-O 2.88Å; F55-W70 HydrophobicContact CD2-CE3 4.31Å; F55-W70 HydrophobicContact CD2-CZ3 4.06Å; F55-W70 HydrophobicContact CE2-CZ3 4.32Å; M57-W70 HydrophobicContact CB-CD2 4.2Å; M57-W70 HydrophobicContact CB-CE3 3.72Å; M57-W70 HydrophobicContact CB-CH2 3.93Å; M57-W70 HydrophobicContact CB-CZ2 4.38Å; M57-W70 HydrophobicContact CB-CZ3 3.59Å; M57-W70 HydrophobicContact CG-CD2 4.24Å; M57-W70 HydrophobicContact CG-CE3 4.25Å; M57-W70 HydrophobicContact CG-CH2 4.11Å; M57-W70 HydrophobicContact CG-CZ2 4.09Å; M57-W70 HydrophobicContact CG-CZ3 4.2Å; M57-W70 HydrophobicContact SD-CH2 4.41Å; M57-W70 HydrophobicContact SD-CZ2 4.38Å; W70-I72 HydrophobicContact CB-CD1 4.06Å; W70-I72 PolarHBondContact O-N 2.79Å; W70-Y85 HydrophobicContact CB-CD1 4.4Å; W70-Y85 AromaticContact CD2-CD1 3.78Å; W70-Y85 HydrophobicContact CD2-CD1 3.78Å; W70-Y85 HydrophobicContact CD2-CE1 4.15Å; W70-Y85 AromaticContact CE3-CD1 3.65Å; W70-Y85 HydrophobicContact CE3-CD1 3.65Å; W70-Y85 AromaticContact CE3-CE1 3.58Å; W70-Y85 HydrophobicContact CE3-CE1 3.58Å; W70-Y85 HydrophobicContact CG-CD1 4.11Å; W70-Y85 HydrophobicContact CH2-CE1 4.34Å; W70-Y85 HydrophobicContact CZ3-CD1 4.18Å; W70-Y85 AromaticContact CZ3-CE1 3.67Å; W70-Y85 HydrophobicContact CZ3-CE1 3.67Å
71D89.4Confident86.5Confident0 Ų044.5 Ų44.50%024%0.24CC..EExtended strand (participates in β ladder)trans-82.1108.1171.3178.327.6000109.2K33 T34 V37 T52 F55 N56K33-D71 WeakPolarHBondContact CB-OD1 3.42Å; T34-D71 WeakPolarHBondContact CB-OD2 3.41Å; T34-D71 PolarHBondContact OG1-OD2 3.1Å; V37-D71 HydrophobicContact CG2-CB 4.41Å; T52-D71 PolarHBondContact OG1-OD2 3.4Å; F55-D71 CarbonylContact C-O 3.56Å; F55-D71 WeakPolarHBondContact CA-O 3.22Å; N56-D71 PolarHBondContact N-O 3.49Å; N56-D71 PolarHBondContact O-N 3.26Å
72I89.4Confident87.1Confident0 Ų040.5 Ų40.50%022%0.215CC..EExtended strand (participates in β ladder)trans-102138.4-176.6-47.1-60000110.7T24 L25 V26 K33 F55 W70 G74 M81 W82 Y85T24-I72 HydrophobicContact CG2-CG1 4.09Å; L25-I72 PolarHBondContact O-N 3.37Å; V26-I72 HydrophobicContact CG1-CB 4.1Å; V26-I72 HydrophobicContact CG1-CG1 4.1Å; K33-I72 WeakPolarHBondContact CE-O 3.18Å; F55-I72 HydrophobicContact CB-CD1 3.56Å; W70-I72 HydrophobicContact CB-CD1 4.06Å; W70-I72 PolarHBondContact O-N 2.79Å; I72-G74 PolarHBondContact O-N 3.35Å; I72-M81 HydrophobicContact CG2-CB 4.36Å; I72-M81 HydrophobicContact CG2-CE 4.3Å; I72-W82 VanDerWaalsContact CG2-CD1 3.49Å; I72-Y85 HydrophobicContact CD1-CD1 4.04Å; I72-Y85 HydrophobicContact CD1-CD2 3.94Å; I72-Y85 HydrophobicContact CD1-CG 3.67Å
73G86.3Confident88.1Confident0 Ų037.9 Ų37.90%020%0.204CC..  trans-55.1136.317600000112.8G54 F78 W82G54-G73 PolarHBondContact O-N 3.42Å; G73-F78 WeakPolarHBondContact O-CB 3.44Å; G73-W82 PolarHBondContact O-NE1 2.99Å; G73-W82 VanDerWaalsContact O-NE1 3.12Å
74G87.7Confident88.9Confident5 Ų543.4 Ų43.45%0.05221%0.205CC..  trans-89.3-1.9-177.300000115.5G27 Q29 I72G27-G74 VanDerWaalsContact O-CA 3.29Å; G27-G74 WeakPolarHBondContact O-CA 3.47Å; Q29-G74 PolarHBondContact N-O 3.44Å; I72-G74 PolarHBondContact O-N 3.35Å
75Q88Confident89.5Confident40 Ų4043 Ų4319%0.18720%0.199CC..SBendtrans-69.1147178.5-72.3170.610.700110.6R77 F78Q75-R77 HydrophobicContact CB-CG 4.14Å; Q75-R77 PolarHBondContact O-N 2.79Å; Q75-R77 VanDerWaalsContact O-N 3.1Å; Q75-R77 VanDerWaalsContact OE1-CZ 3.23Å; Q75-F78 HydrophobicContact CB-CD2 3.88Å; Q75-F78 HydrophobicContact CB-CE2 4.31Å; Q75-F78 PolarHBondContact O-N 2.92Å
76P88.7Confident90.2Very high88 Ų8842.5 Ų42.557%0.57120%0.196SC*.G310 helixtrans-48.1-42.3179.4-29.935.5000114.2F78 R79P76-F78 PolarHBondContact O-N 3.27Å; P76-R79 PolarHBondContact O-N 2.83Å; P76-R79 VanDerWaalsContact O-N 3.13Å
77R89.8Confident90.5Very high156 Ų15647.6 Ų47.659%0.58921%0.213SC*.G310 helixtrans-59.8-19.2178.666.8175.5173.4171.10.1115.2Q75Q75-R77 HydrophobicContact CB-CG 4.14Å; Q75-R77 PolarHBondContact O-N 2.79Å; Q75-R77 VanDerWaalsContact O-N 3.1Å; Q75-R77 VanDerWaalsContact OE1-CZ 3.23Å
78F88.8Confident90.6Very high25 Ų2551 Ų5111%0.1125%0.249CC..G310 helixtrans-103.8-8.1-178.3-62.2-44.7000113.3V53 G54 G73 Q75 P76 S80 M81V53-F78 HydrophobicContact CG1-CE2 4.43Å; V53-F78 HydrophobicContact CG1-CZ 3.89Å; G54-F78 VanDerWaalsContact N-CE2 3.29Å; G73-F78 WeakPolarHBondContact O-CB 3.44Å; Q75-F78 HydrophobicContact CB-CD2 3.88Å; Q75-F78 HydrophobicContact CB-CE2 4.31Å; Q75-F78 PolarHBondContact O-N 2.92Å; P76-F78 PolarHBondContact O-N 3.27Å; F78-S80 VanDerWaalsContact C-N 3.27Å; F78-S80 PolarHBondContact O-N 3.19Å; F78-M81 HydrophobicContact CB-CE 3.52Å; F78-M81 HydrophobicContact CD1-CE 3.31Å; F78-M81 HydrophobicContact CE1-CE 4.28Å; F78-M81 HydrophobicContact CG-CE 3.69Å; F78-M81 VanDerWaalsContact O-CB 3.31Å; F78-M81 WeakPolarHBondContact O-CB 3.32Å; F78-M81 PolarHBondContact O-N 3.05Å
79R88.8Confident90.9Very high63 Ų6350 Ų5024%0.23825%0.246CC..Hα-helixtrans-64.7-29.4-175.9-63-174.7-174.9158.71113.4L28 P76 M81 W82 E110L28-R79 VanDerWaalsContact CD2-NH2 3.33Å; P76-R79 PolarHBondContact O-N 2.83Å; P76-R79 VanDerWaalsContact O-N 3.13Å; R79-M81 PolarHBondContact O-N 2.91Å; R79-W82 HydrophobicContact CB-CD2 4.38Å; R79-W82 HydrophobicContact CG-CD2 4.42Å; R79-W82 HydrophobicContact CG-CH2 4.23Å; R79-W82 HydrophobicContact CG-CZ2 3.84Å; R79-W82 VanDerWaalsContact O-CB 3.31Å; R79-W82 WeakPolarHBondContact O-CB 3.49Å; R79-W82 PolarHBondContact O-N 2.93Å; R79-E110 VanDerWaalsContact CD-CD 3.42Å; R79-E110 WeakPolarHBondContact CD-OE1 3.39Å; R79-E110 WeakPolarHBondContact CD-OE2 3.35Å; R79-E110 IonicContact CZ-OE1 3.7Å; R79-E110 IonicContact NE-OE1 2.66Å; R79-E110 IonicContact NH1-OE1 2.64Å; R79-E110 PolarHBondContact NH1-OE1 2.83Å
80S88.6Confident91Very high87 Ų8752.1 Ų52.161%0.60826%0.257SS*.Hα-helixtrans-62.3-20.5172.7600000113.5F78F78-S80 VanDerWaalsContact C-N 3.27Å; F78-S80 PolarHBondContact O-N 3.19Å
81M90.3Very high91.2Very high36 Ų3649.2 Ų49.218%0.17725%0.246CC..Hα-helixtrans-81.1-23.3175-59.7-172.5-60.700112.2F55 I72 F78 R79 E83 R84 Y85F55-M81 HydrophobicContact CD1-SD 4.35Å; I72-M81 HydrophobicContact CG2-CB 4.36Å; I72-M81 HydrophobicContact CG2-CE 4.3Å; F78-M81 HydrophobicContact CB-CE 3.52Å; F78-M81 HydrophobicContact CD1-CE 3.31Å; F78-M81 HydrophobicContact CE1-CE 4.28Å; F78-M81 HydrophobicContact CG-CE 3.69Å; F78-M81 VanDerWaalsContact O-CB 3.31Å; F78-M81 WeakPolarHBondContact O-CB 3.32Å; F78-M81 PolarHBondContact O-N 3.05Å; R79-M81 PolarHBondContact O-N 2.91Å; M81-E83 VanDerWaalsContact C-N 3.32Å; M81-E83 PolarHBondContact O-N 2.91Å; M81-R84 PolarHBondContact O-N 2.88Å; M81-Y85 HydrophobicContact CB-CD2 4.02Å; M81-Y85 HydrophobicContact CB-CE2 4.14Å; M81-Y85 WeakPolarHBondContact O-CD2 3.42Å; M81-Y85 PolarHBondContact O-N 2.81Å
82W94.3Very high91.7Very high3 Ų349.2 Ų49.21%0.01125%0.246CC..Hα-helixtrans-55.7-49.1-175.5-65.37.1000111.3V26 G27 I72 G73 R79 R84 Y85 C86 Y94 E110 L114V26-W82 HydrophobicContact CB-CD2 4.08Å; V26-W82 HydrophobicContact CB-CE3 4.31Å; V26-W82 HydrophobicContact CB-CG 4.33Å; V26-W82 HydrophobicContact CG1-CB 4.04Å; V26-W82 HydrophobicContact CG1-CD2 4.01Å; V26-W82 HydrophobicContact CG1-CG 3.73Å; G27-W82 WeakPolarHBondContact O-CZ2 3.31Å; I72-W82 VanDerWaalsContact CG2-CD1 3.49Å; G73-W82 PolarHBondContact O-NE1 2.99Å; G73-W82 VanDerWaalsContact O-NE1 3.12Å; R79-W82 HydrophobicContact CB-CD2 4.38Å; R79-W82 HydrophobicContact CG-CD2 4.42Å; R79-W82 HydrophobicContact CG-CH2 4.23Å; R79-W82 HydrophobicContact CG-CZ2 3.84Å; R79-W82 VanDerWaalsContact O-CB 3.31Å; R79-W82 WeakPolarHBondContact O-CB 3.49Å; R79-W82 PolarHBondContact O-N 2.93Å; W82-R84 VanDerWaalsContact C-N 3.3Å; W82-R84 PolarHBondContact O-N 3.42Å; W82-Y85 PolarHBondContact O-N 3.19Å; W82-C86 WeakPolarHBondContact O-CB 3.27Å; W82-C86 PolarHBondContact O-N 3.3Å; W82-C86 PolarHBondContact O-SG 3.36Å; W82-Y94 HydrophobicContact CZ3-CE2 4.02Å; W82-E110 HydrophobicContact CH2-CB 4.32Å; W82-E110 HydrophobicContact CZ3-CB 3.93Å; W82-L114 HydrophobicContact CB-CD1 3.88Å; W82-L114 HydrophobicContact CE3-CD2 4.32Å
83E93.8Very high92.1Very high42 Ų4249.2 Ų49.220%0.19625%0.246CC..Hα-helixtrans-55.9-44.9176.5-175.8-169.3138.600111.8M81 Y85 C86 R87 K117 Q119M81-E83 VanDerWaalsContact C-N 3.32Å; M81-E83 PolarHBondContact O-N 2.91Å; E83-Y85 PolarHBondContact O-N 3.24Å; E83-C86 PolarHBondContact O-N 3.33Å; E83-R87 WeakPolarHBondContact O-CG 3.2Å; E83-R87 IonicContact OE1-CZ 3.96Å; E83-R87 IonicContact OE1-NE 2.62Å; E83-R87 IonicContact OE1-NH2 3.42Å; E83-R87 PolarHBondContact OE1-NH2 2.85Å; E83-K117 HydrophobicContact CB-CG 4.42Å; E83-K117 HydrophobicContact CG-CB 4.12Å; E83-K117 HydrophobicContact CG-CD 4.39Å; E83-K117 HydrophobicContact CG-CG 3.89Å; E83-K117 WeakPolarHBondContact OE2-CD 3.45Å; E83-K117 WeakPolarHBondContact OE2-CE 3.34Å; E83-Q119 PolarHBondContact OE1-OE1 3.01Å
84R92.1Very high92.7Very high181 Ų18149.2 Ų49.268%0.68325%0.246SC*.Hα-helixtrans-64.8-42.6-176.6-63.6-178179.5-170.9-1.7112.1M81 W82M81-R84 PolarHBondContact O-N 2.88Å; W82-R84 VanDerWaalsContact C-N 3.3Å; W82-R84 PolarHBondContact O-N 3.42Å
85Y93.2Very high93.2Very high58 Ų5849 Ų4923%0.22724%0.244CC..Hα-helixtrans-84.2-14.4-177.9-75.1-89.7000113.4T24 F55 W70 I72 M81 W82 E83 V89T24-Y85 PolarHBondContact OG1-O 2.9Å; F55-Y85 HydrophobicContact CD1-CE2 4.34Å; F55-Y85 AromaticContact CD1-CZ 3.99Å; F55-Y85 WeakPolarHBondContact CD1-OH 3.39Å; F55-Y85 HydrophobicContact CD2-CE1 4.11Å; F55-Y85 AromaticContact CD2-CZ 4Å; F55-Y85 VanDerWaalsContact CE1-OH 3.22Å; F55-Y85 WeakPolarHBondContact CE1-OH 3.31Å; F55-Y85 HydrophobicContact CE2-CE1 4.46Å; F55-Y85 WeakPolarHBondContact CE2-OH 3.45Å; F55-Y85 HydrophobicContact CG-CE1 4.32Å; F55-Y85 HydrophobicContact CG-CE2 4.43Å; F55-Y85 AromaticContact CG-CZ 3.89Å; F55-Y85 WeakPolarHBondContact CZ-OH 3.49Å; W70-Y85 HydrophobicContact CB-CD1 4.4Å; W70-Y85 AromaticContact CD2-CD1 3.78Å; W70-Y85 HydrophobicContact CD2-CD1 3.78Å; W70-Y85 HydrophobicContact CD2-CE1 4.15Å; W70-Y85 AromaticContact CE3-CD1 3.65Å; W70-Y85 HydrophobicContact CE3-CD1 3.65Å; W70-Y85 AromaticContact CE3-CE1 3.58Å; W70-Y85 HydrophobicContact CE3-CE1 3.58Å; W70-Y85 HydrophobicContact CG-CD1 4.11Å; W70-Y85 HydrophobicContact CH2-CE1 4.34Å; W70-Y85 HydrophobicContact CZ3-CD1 4.18Å; W70-Y85 AromaticContact CZ3-CE1 3.67Å; W70-Y85 HydrophobicContact CZ3-CE1 3.67Å; I72-Y85 HydrophobicContact CD1-CD1 4.04Å; I72-Y85 HydrophobicContact CD1-CD2 3.94Å; I72-Y85 HydrophobicContact CD1-CG 3.67Å; M81-Y85 HydrophobicContact CB-CD2 4.02Å; M81-Y85 HydrophobicContact CB-CE2 4.14Å; M81-Y85 WeakPolarHBondContact O-CD2 3.42Å; M81-Y85 PolarHBondContact O-N 2.81Å; W82-Y85 PolarHBondContact O-N 3.19Å; E83-Y85 PolarHBondContact O-N 3.24Å; Y85-V89 WeakPolarHBondContact O-CG1 3.35Å
86C95.1Very high93.7Very high0 Ų047.2 Ų47.20%024%0.236CC..Hα-helixtrans-83.6-9.1172.9-66.70000113.2T24 W82 E83 G88 V89 I92 L120 I123T24-C86 WeakPolarHBondContact CG2-SG 3.3Å; W82-C86 WeakPolarHBondContact O-CB 3.27Å; W82-C86 PolarHBondContact O-N 3.3Å; W82-C86 PolarHBondContact O-SG 3.36Å; E83-C86 PolarHBondContact O-N 3.33Å; C86-G88 PolarHBondContact O-N 3.12Å; C86-V89 VanDerWaalsContact O-CG2 3.28Å; C86-V89 WeakPolarHBondContact O-CG2 3.17Å; C86-I92 HydrophobicContact CB-CD1 3.89Å; C86-I92 HydrophobicContact CB-CG1 4.12Å; C86-L120 VanDerWaalsContact C-CD2 3.45Å; C86-L120 HydrophobicContact CB-CD1 3.67Å; C86-L120 HydrophobicContact CB-CD2 3.52Å; C86-L120 HydrophobicContact CB-CG 4.27Å; C86-L120 WeakPolarHBondContact O-CD2 3.33Å; C86-I123 VanDerWaalsContact O-CD1 3.28Å; C86-I123 WeakPolarHBondContact O-CD1 3.31Å
87R93.7Very high94.1Very high121 Ų12144.2 Ų44.246%0.45721%0.214SC..THydrogen-bonded Turntrans-71.6130.7-178.9-71.5173.9-167.9-179.2-0111.1E83 V89 Q119 L120E83-R87 WeakPolarHBondContact O-CG 3.2Å; E83-R87 IonicContact OE1-CZ 3.96Å; E83-R87 IonicContact OE1-NE 2.62Å; E83-R87 IonicContact OE1-NH2 3.42Å; E83-R87 PolarHBondContact OE1-NH2 2.85Å; R87-V89 PolarHBondContact O-N 2.99Å; R87-Q119 HydrophobicContact CG-CB 4Å; R87-L120 HydrophobicContact CG-CD2 3.9Å
88G90.3Very high94.5Very high73 Ų7336.8 Ų36.875%0.75319%0.186SC*.THydrogen-bonded Turntrans73.39.1173.500000115.1C86C86-G88 PolarHBondContact O-N 3.12Å
89V95.2Very high95Very high12 Ų1236.2 Ų36.27%0.07319%0.187CC..  trans-77.2153.3173.8-56.20000110.8E22 Y85 C86 R87 A91 I92 I123E22-V89 WeakPolarHBondContact O-CB 3.43Å; Y85-V89 WeakPolarHBondContact O-CG1 3.35Å; C86-V89 VanDerWaalsContact O-CG2 3.28Å; C86-V89 WeakPolarHBondContact O-CG2 3.17Å; R87-V89 PolarHBondContact O-N 2.99Å; V89-A91 VanDerWaalsContact C-N 3.34Å; V89-A91 VanDerWaalsContact CG2-O 3.3Å; V89-A91 WeakPolarHBondContact CG2-O 3.36Å; V89-I92 HydrophobicContact CG2-CG1 3.99Å; V89-I123 HydrophobicContact CG2-CD1 4.38Å; V89-I123 HydrophobicContact CG2-CG2 3.94Å
90N95.8Very high95.4Very high44 Ų4434.8 Ų34.824%0.23518%0.184CC..SBendtrans-68.8-34.2174.4-61.493000112M21 E22 P124M21-N90 WeakPolarHBondContact CA-OD1 3.32Å; M21-N90 HydrophobicContact CE-CB 3.67Å; M21-N90 HydrophobicContact CG-CB 3.67Å; E22-N90 PolarHBondContact N-OD1 3.14Å; E22-N90 WeakPolarHBondContact O-CB 3.46Å; E22-N90 PolarHBondContact O-N 2.92Å; E22-N90 PolarHBondContact O-OD1 3.09Å; N90-P124 WeakPolarHBondContact O-CD 3.15Å
91A96.9Very high95.7Very high0 Ų036.8 Ų36.80%018%0.178CC..EExtended strand (participates in β ladder)trans-154152.7177.800000112.3M21 L23 T24 V89 P124 W176 L177M21-A91 HydrophobicContact CE-CB 3.81Å; L23-A91 VanDerWaalsContact CA-O 3.31Å; L23-A91 WeakPolarHBondContact CA-O 3.37Å; L23-A91 VanDerWaalsContact CB-O 3.3Å; L23-A91 WeakPolarHBondContact CB-O 3.43Å; T24-A91 PolarHBondContact N-O 3.28Å; V89-A91 VanDerWaalsContact C-N 3.34Å; V89-A91 VanDerWaalsContact CG2-O 3.3Å; V89-A91 WeakPolarHBondContact CG2-O 3.36Å; A91-P124 WeakPolarHBondContact CA-O 3.31Å; A91-W176 HydrophobicContact CB-CH2 4.13Å; A91-W176 HydrophobicContact CB-CZ3 3.81Å; A91-L177 HydrophobicContact CB-CD2 4.44Å
92I98.1Very high96Very high0 Ų043.6 Ų43.60%021%0.209CC..EExtended strand (participates in β ladder)trans-102.8125.3169.5-63.3167.5000108.2V26 C86 V89 L115 L120 I123 P124 V125 L126V26-I92 HydrophobicContact CG2-CG2 3.8Å; C86-I92 HydrophobicContact CB-CD1 3.89Å; C86-I92 HydrophobicContact CB-CG1 4.12Å; V89-I92 HydrophobicContact CG2-CG1 3.99Å; I92-L115 HydrophobicContact CD1-CD2 4.47Å; I92-L120 HydrophobicContact CD1-CD1 4.28Å; I92-I123 HydrophobicContact CD1-CB 4.38Å; I92-I123 HydrophobicContact CD1-CG2 4.08Å; I92-I123 HydrophobicContact CG1-CG2 3.9Å; I92-P124 PolarHBondContact N-O 3.33Å; I92-V125 HydrophobicContact CB-CG2 4.35Å; I92-V125 WeakPolarHBondContact O-CA 3.47Å; I92-L126 PolarHBondContact O-N 3.08Å
93V98.3Very high96.1Very high0 Ų047.6 Ų47.60%023%0.227CC..EExtended strand (participates in β ladder)trans-100115.2169.3-1770000108.3L23 T24 L25 V26 L126 L128 L177L23-V93 HydrophobicContact CD1-CG2 4.04Å; L23-V93 HydrophobicContact CD2-CG2 4.34Å; T24-V93 PolarHBondContact O-N 3.19Å; L25-V93 WeakPolarHBondContact CA-O 3.42Å; L25-V93 HydrophobicContact CD1-CB 3.82Å; L25-V93 HydrophobicContact CD1-CG1 3.54Å; V26-V93 PolarHBondContact N-O 2.94Å; V93-L126 CarbonylContact C-O 3.43Å; V93-L126 WeakPolarHBondContact CA-O 3.48Å; V93-L128 HydrophobicContact CG1-CD1 3.53Å; V93-L128 HydrophobicContact CG1-CG 3.94Å; V93-L177 HydrophobicContact CG2-CD2 3.89Å
94Y98.6Very high96.2Very high0 Ų045.9 Ų45.90%022%0.219CC..EExtended strand (participates in β ladder)trans-104.6109179.7-167.2-89.4000110.6V26 W82 V96 S107 L111 L126 V127 L128V26-Y94 HydrophobicContact CG2-CD2 3.96Å; V26-Y94 WeakPolarHBondContact O-CA 3.26Å; W82-Y94 HydrophobicContact CZ3-CE2 4.02Å; Y94-V96 HydrophobicContact CD1-CG2 3.71Å; Y94-V96 HydrophobicContact CE1-CG2 3.63Å; Y94-S107 VanDerWaalsContact CE1-OG 3.31Å; Y94-S107 WeakPolarHBondContact CE1-OG 3.28Å; Y94-S107 PolarHBondContact OH-O 2.81Å; Y94-S107 PolarHBondContact OH-OG 2.83Å; Y94-L111 HydrophobicContact CD1-CB 4.37Å; Y94-L111 HydrophobicContact CD1-CD1 4.11Å; Y94-L111 HydrophobicContact CD1-CD2 4.37Å; Y94-L111 HydrophobicContact CD2-CB 4.4Å; Y94-L111 HydrophobicContact CD2-CD1 3.69Å; Y94-L111 HydrophobicContact CE1-CB 3.95Å; Y94-L111 HydrophobicContact CE1-CD1 4.5Å; Y94-L111 HydrophobicContact CE2-CB 3.97Å; Y94-L111 HydrophobicContact CE2-CD1 4.11Å; Y94-L111 HydrophobicContact CG-CD1 3.7Å; Y94-L126 PolarHBondContact N-O 2.99Å; Y94-V127 WeakPolarHBondContact O-CA 3.27Å; Y94-L128 PolarHBondContact O-N 3.09Å
95M98.6Very high96.5Very high0 Ų043 Ų430%021%0.214CC..EExtended strand (participates in β ladder)trans-92.6126.6-174.9-168.270.973.200111.7L25 V26 S31 K33 F36 L128 N130L25-M95 HydrophobicContact CD1-CB 4.17Å; L25-M95 HydrophobicContact CD1-CE 4.07Å; V26-M95 PolarHBondContact O-N 3.08Å; S31-M95 WeakPolarHBondContact CB-O 3.32Å; S31-M95 WeakPolarHBondContact O-CG 3.47Å; K33-M95 HydrophobicContact CD-CB 4.49Å; K33-M95 HydrophobicContact CG-CB 3.68Å; K33-M95 HydrophobicContact CG-CG 4.11Å; F36-M95 HydrophobicContact CB-CE 3.46Å; F36-M95 VanDerWaalsContact CB-CE 3.46Å; F36-M95 HydrophobicContact CD1-CE 4.08Å; F36-M95 HydrophobicContact CD2-CE 3.98Å; F36-M95 HydrophobicContact CG-CE 3.57Å; M95-L128 HydrophobicContact CE-CB 4.2Å; M95-L128 HydrophobicContact CE-CD1 3.85Å; M95-L128 HydrophobicContact SD-CB 3.65Å; M95-L128 HydrophobicContact SD-CD1 4.41Å; M95-N130 HydrophobicContact CG-CB 4.37Å; M95-N130 HydrophobicContact SD-CB 3.49Å; M95-N130 WeakPolarHBondContact SD-CB 3.49Å
96V98.4Very high96.7Very high3 Ų342.4 Ų42.42%0.01822%0.22CC..EExtended strand (participates in β ladder)trans-118.9138.1177.2-175.20000109.2Y94 A98 V127 L128 N130 L143 L147Y94-V96 HydrophobicContact CD1-CG2 3.71Å; Y94-V96 HydrophobicContact CE1-CG2 3.63Å; V96-A98 PolarHBondContact O-N 2.96Å; V96-V127 HydrophobicContact CG2-CG1 4.25Å; V96-L128 PolarHBondContact N-O 3.11Å; V96-N130 PolarHBondContact O-N 2.89Å; V96-L143 HydrophobicContact CG1-CD2 4.19Å; V96-L147 HydrophobicContact CG2-CD1 3.98Å
97D98.2Very high96.8Very high24 Ų2442.5 Ų42.513%0.12822%0.221CC..EExtended strand (participates in β ladder)trans-76.8104.6165.3-172.2-21.7000108.3A99 D100 K131D97-A99 PolarHBondContact O-N 3.24Å; D97-A99 WeakPolarHBondContact OD1-CB 3.36Å; D97-A99 PolarHBondContact OD1-N 2.84Å; D97-D100 HydrophobicContact CB-CB 3.93Å; D97-D100 PolarHBondContact O-N 2.85Å; D97-D100 PolarHBondContact OD1-N 2.88Å; D97-K131 WeakPolarHBondContact OD1-CD 3.43Å; D97-K131 VanDerWaalsContact OD2-CE 3.23Å; D97-K131 WeakPolarHBondContact OD2-CE 3.49Å; D97-K131 IonicContact OD2-NZ 2.81Å; D97-K131 PolarHBondContact OD2-NZ 2.67Å
98A98.3Very high97.1Very high0 Ų040.5 Ų40.50%021%0.214CC..SBendtrans-69.7-20.9-177.900000112.3V96 N130 A137 L138 L143V96-A98 PolarHBondContact O-N 2.96Å; A98-N130 VanDerWaalsContact CB-O 3.27Å; A98-N130 WeakPolarHBondContact CB-O 3.49Å; A98-N130 PolarHBondContact N-O 3.27Å; A98-A137 HydrophobicContact CB-CB 4.18Å; A98-A137 CarbonylContact O-C 3.6Å; A98-A137 WeakPolarHBondContact O-CA 3.38Å; A98-L138 HydrophobicContact CB-CB 4.38Å; A98-L138 WeakPolarHBondContact O-CG 3.4Å; A98-L138 PolarHBondContact O-N 3.48Å; A98-L143 HydrophobicContact CB-CD1 4.35Å
99A97.9Very high97.4Very high14 Ų1440.2 Ų40.212%0.11620%0.195CC..SBendtrans-86.9-21.5-178.300000113.1D97 R101 K131 L134 S136 A137D97-A99 PolarHBondContact O-N 3.24Å; D97-A99 WeakPolarHBondContact OD1-CB 3.36Å; D97-A99 PolarHBondContact OD1-N 2.84Å; A99-R101 PolarHBondContact O-N 2.85Å; A99-K131 HydrophobicContact CB-CB 4.39Å; A99-L134 HydrophobicContact CB-CB 3.8Å; A99-L134 HydrophobicContact CB-CD1 3.54Å; A99-L134 HydrophobicContact CB-CG 4.27Å; A99-S136 WeakPolarHBondContact CB-OG 3.35Å; A99-S136 PolarHBondContact O-OG 3.19Å; A99-S136 VanDerWaalsContact O-OG 3.08Å; A99-A137 HydrophobicContact CB-CB 4.47Å
100D97.1Very high97.6Very high32 Ų3241.6 Ų41.617%0.17120%0.2CC..  trans-92.478.6178.2-170.6-15.5000111.7D97 E102 K103 V104D97-D100 HydrophobicContact CB-CB 3.93Å; D97-D100 PolarHBondContact O-N 2.85Å; D97-D100 PolarHBondContact OD1-N 2.88Å; D100-E102 PolarHBondContact O-N 2.85Å; D100-K103 PolarHBondContact O-N 3.31Å; D100-K103 PolarHBondContact OD1-N 3.33Å; D100-K103 WeakPolarHBondContact OD2-CD 3.3Å; D100-K103 VanDerWaalsContact OD2-CE 3.28Å; D100-K103 WeakPolarHBondContact OD2-CE 3.31Å; D100-K103 WeakPolarHBondContact OD2-CG 3.46Å; D100-K103 IonicContact OD2-NZ 2.83Å; D100-K103 PolarHBondContact OD2-NZ 3.47Å; D100-V104 WeakPolarHBondContact O-CG2 3.3Å
101R95.3Very high97.7Very high129 Ų12939.5 Ų39.549%0.48719%0.189SC..THydrogen-bonded Turntrans-62.8-27.8-175.3-63.5-176.5180-162.2-2.8113.9A99 K103 V104 S136 L138A99-R101 PolarHBondContact O-N 2.85Å; R101-K103 VanDerWaalsContact C-N 3.31Å; R101-V104 PolarHBondContact O-N 3.1Å; R101-S136 PolarHBondContact NE-O 3.07Å; R101-S136 PolarHBondContact NH2-O 3.16Å; R101-L138 HydrophobicContact CG-CD2 4.34Å; R101-L138 HydrophobicContact CG-CG 4.42Å
102E96.4Very high97.7Very high180 Ų18041.4 Ų41.484%0.84120%0.198SC*.THydrogen-bonded Turntrans-68.3-33.9-179.9-63.4-176.7173.600111.4D100D100-E102 PolarHBondContact O-N 2.85Å
103K96.3Very high97.7Very high87 Ų8745.5 Ų45.538%0.37822%0.22SC..THydrogen-bonded Turntrans-87.9-6.8-179.2-65.6-169.5-167.5120.10114.4L28 D100 R101 E105 A106 S107L28-K103 HydrophobicContact CD1-CB 3.97Å; D100-K103 PolarHBondContact O-N 3.31Å; D100-K103 PolarHBondContact OD1-N 3.33Å; D100-K103 WeakPolarHBondContact OD2-CD 3.3Å; D100-K103 VanDerWaalsContact OD2-CE 3.28Å; D100-K103 WeakPolarHBondContact OD2-CE 3.31Å; D100-K103 WeakPolarHBondContact OD2-CG 3.46Å; D100-K103 IonicContact OD2-NZ 2.83Å; D100-K103 PolarHBondContact OD2-NZ 3.47Å; R101-K103 VanDerWaalsContact C-N 3.31Å; K103-E105 VanDerWaalsContact C-N 3.33Å; K103-E105 PolarHBondContact O-N 2.91Å; K103-A106 PolarHBondContact O-N 2.88Å; K103-S107 WeakPolarHBondContact O-CB 3.44Å; K103-S107 PolarHBondContact O-N 2.79Å
104V96.9Very high97.7Very high5 Ų545.9 Ų45.93%0.0322%0.222CC..Hα-helixtrans-61.2-41.1-177.6174.50000111.7D100 R101 S107 R108 L138 K146 L147D100-V104 WeakPolarHBondContact O-CG2 3.3Å; R101-V104 PolarHBondContact O-N 3.1Å; V104-S107 WeakPolarHBondContact O-CB 3.47Å; V104-S107 PolarHBondContact O-N 3.09Å; V104-R108 PolarHBondContact O-N 2.78Å; V104-L138 HydrophobicContact CG1-CD1 4.38Å; V104-L138 HydrophobicContact CG2-CD1 3.76Å; V104-K146 HydrophobicContact CG1-CB 3.71Å; V104-K146 HydrophobicContact CG1-CD 4.28Å; V104-L147 HydrophobicContact CG1-CD2 4.01Å
105E97.6Very high97.6Very high122 Ų12246.2 Ų46.257%0.5722%0.224SC*.Hα-helixtrans-65.1-44.1177.6-176.9175.5-167.500111.9K103 S107 R108 N109K103-E105 VanDerWaalsContact C-N 3.33Å; K103-E105 PolarHBondContact O-N 2.91Å; E105-S107 VanDerWaalsContact C-N 3.26Å; E105-S107 PolarHBondContact O-N 3.3Å; E105-R108 WeakPolarHBondContact O-CB 3.28Å; E105-R108 PolarHBondContact O-N 3.06Å; E105-R108 IonicContact OE1-NH2 3.94Å; E105-N109 VanDerWaalsContact O-CG 3.26Å; E105-N109 PolarHBondContact O-N 3.42Å; E105-N109 PolarHBondContact O-ND2 3.12Å; E105-N109 PolarHBondContact O-OD1 3.38Å
106A97.3Very high97.5Very high45 Ų4551.9 Ų51.937%0.37225%0.254SS..Hα-helixtrans-61.2-38.7174.500000111.2L28 K103 N109 E110L28-A106 HydrophobicContact CD1-CB 4.26Å; K103-A106 PolarHBondContact O-N 2.88Å; A106-N109 PolarHBondContact O-N 3.03Å; A106-E110 WeakPolarHBondContact O-CG 3.44Å; A106-E110 PolarHBondContact O-N 3.25Å; A106-E110 VanDerWaalsContact O-N 3.13Å
107S98.1Very high97.5Very high2 Ų255.5 Ų55.51%0.01427%0.269CS..Hα-helixtrans-66.1-42.5176.7-154.70000111.5Y94 K103 V104 E105 N109 E110 L111Y94-S107 VanDerWaalsContact CE1-OG 3.31Å; Y94-S107 WeakPolarHBondContact CE1-OG 3.28Å; Y94-S107 PolarHBondContact OH-O 2.81Å; Y94-S107 PolarHBondContact OH-OG 2.83Å; K103-S107 WeakPolarHBondContact O-CB 3.44Å; K103-S107 PolarHBondContact O-N 2.79Å; V104-S107 WeakPolarHBondContact O-CB 3.47Å; V104-S107 PolarHBondContact O-N 3.09Å; E105-S107 VanDerWaalsContact C-N 3.26Å; E105-S107 PolarHBondContact O-N 3.3Å; S107-N109 PolarHBondContact O-N 3.43Å; S107-E110 PolarHBondContact O-N 3.21Å; S107-L111 PolarHBondContact O-N 3.22Å
108R98.4Very high97.3Very high79 Ų7958.9 Ų58.930%0.29829%0.293SS..Hα-helixtrans-54.2-53.8173.1-179.9-169.872.4178-2.6110.5V104 E105 E110 L111 H112 K146 L147V104-R108 PolarHBondContact O-N 2.78Å; E105-R108 WeakPolarHBondContact O-CB 3.28Å; E105-R108 PolarHBondContact O-N 3.06Å; E105-R108 IonicContact OE1-NH2 3.94Å; R108-E110 VanDerWaalsContact C-N 3.26Å; R108-E110 PolarHBondContact O-N 2.95Å; R108-L111 WeakPolarHBondContact O-CB 3.12Å; R108-L111 PolarHBondContact O-N 2.97Å; R108-L111 VanDerWaalsContact O-N 3.09Å; R108-H112 PolarHBondContact O-CD2 3.33Å; R108-H112 VanDerWaalsContact O-CD2 3.24Å; R108-H112 PolarHBondContact O-N 3.1Å; R108-K146 WeakPolarHBondContact CD-O 3.37Å; R108-L147 HydrophobicContact CB-CD2 4.02Å; R108-L147 WeakPolarHBondContact CG-O 3.44Å
109N98Very high97.1Very high67 Ų6763.4 Ų63.436%0.35831%0.314SS..Hα-helixtrans-60.5-39.4-175.2-61.6-14.4000111.2E105 A106 S107 N113E105-N109 VanDerWaalsContact O-CG 3.26Å; E105-N109 PolarHBondContact O-N 3.42Å; E105-N109 PolarHBondContact O-ND2 3.12Å; E105-N109 PolarHBondContact O-OD1 3.38Å; A106-N109 PolarHBondContact O-N 3.03Å; S107-N109 PolarHBondContact O-N 3.43Å; N109-N113 VanDerWaalsContact O-CB 3.24Å; N109-N113 WeakPolarHBondContact O-CB 3.12Å; N109-N113 PolarHBondContact O-N 3.46Å; N109-N113 PolarHBondContact O-ND2 3.48Å
110E98Very high97.1Very high41 Ų4162.8 Ų62.819%0.19231%0.308CS..Hα-helixtrans-69.9-34.5175.8-69.2-63.8169.100113.8L28 R79 W82 A106 S107 R108 L114L28-E110 HydrophobicContact CD2-CG 4.2Å; R79-E110 VanDerWaalsContact CD-CD 3.42Å; R79-E110 WeakPolarHBondContact CD-OE1 3.39Å; R79-E110 WeakPolarHBondContact CD-OE2 3.35Å; R79-E110 IonicContact CZ-OE1 3.7Å; R79-E110 IonicContact NE-OE1 2.66Å; R79-E110 IonicContact NH1-OE1 2.64Å; R79-E110 PolarHBondContact NH1-OE1 2.83Å; W82-E110 HydrophobicContact CH2-CB 4.32Å; W82-E110 HydrophobicContact CZ3-CB 3.93Å; A106-E110 WeakPolarHBondContact O-CG 3.44Å; A106-E110 PolarHBondContact O-N 3.25Å; A106-E110 VanDerWaalsContact O-N 3.13Å; S107-E110 PolarHBondContact O-N 3.21Å; R108-E110 VanDerWaalsContact C-N 3.26Å; R108-E110 PolarHBondContact O-N 2.95Å; E110-L114 WeakPolarHBondContact O-CB 3.36Å; E110-L114 PolarHBondContact O-N 3.46Å; E110-L114 VanDerWaalsContact O-N 3.1Å
111L98.4Very high97Very high0 Ų068 Ų680%033%0.332CS..Hα-helixtrans-62.5-53.9172.7174.761.2000110.4Y94 S107 R108 N113 L114 L115 V127 L149 I152Y94-L111 HydrophobicContact CD1-CB 4.37Å; Y94-L111 HydrophobicContact CD1-CD1 4.11Å; Y94-L111 HydrophobicContact CD1-CD2 4.37Å; Y94-L111 HydrophobicContact CD2-CB 4.4Å; Y94-L111 HydrophobicContact CD2-CD1 3.69Å; Y94-L111 HydrophobicContact CE1-CB 3.95Å; Y94-L111 HydrophobicContact CE1-CD1 4.5Å; Y94-L111 HydrophobicContact CE2-CB 3.97Å; Y94-L111 HydrophobicContact CE2-CD1 4.11Å; Y94-L111 HydrophobicContact CG-CD1 3.7Å; S107-L111 PolarHBondContact O-N 3.22Å; R108-L111 WeakPolarHBondContact O-CB 3.12Å; R108-L111 PolarHBondContact O-N 2.97Å; R108-L111 VanDerWaalsContact O-N 3.09Å; L111-N113 PolarHBondContact O-N 2.77Å; L111-L114 WeakPolarHBondContact O-CB 3.23Å; L111-L114 PolarHBondContact O-N 3.09Å; L111-L114 VanDerWaalsContact O-N 3.12Å; L111-L115 HydrophobicContact CD1-CD1 3.72Å; L111-L115 HydrophobicContact CD1-CD2 4.46Å; L111-L115 HydrophobicContact CD1-CG 3.99Å; L111-L115 HydrophobicContact CG-CD1 4.09Å; L111-L115 WeakPolarHBondContact O-CG 3.46Å; L111-L115 PolarHBondContact O-N 2.91Å; L111-V127 HydrophobicContact CD2-CG2 4.33Å; L111-L149 HydrophobicContact CD2-CD2 3.6Å; L111-I152 HydrophobicContact CD2-CD1 4.41Å
112H98.4Very high97Very high39 Ų3963.9 Ų63.918%0.18133%0.33CS..Hα-helixtrans-61.9-44.7-179.1-75.7-99000111.4R108 L114 L115 D116 L147 N148R108-H112 PolarHBondContact O-CD2 3.33Å; R108-H112 VanDerWaalsContact O-CD2 3.24Å; R108-H112 PolarHBondContact O-N 3.1Å; H112-L114 PolarHBondContact O-N 3.28Å; H112-L115 PolarHBondContact O-N 3Å; H112-L115 VanDerWaalsContact O-N 3.09Å; H112-D116 WeakPolarHBondContact O-CB 3.46Å; H112-D116 VanDerWaalsContact O-CG 3.27Å; H112-D116 PolarHBondContact O-N 3.5Å; H112-L147 PolarHBondContact NE2-O 3.13Å; H112-N148 PolarHBondContact CE1-O 3.12Å
113N97.4Very high97.1Very high86 Ų8656.2 Ų56.246%0.4629%0.294SS..Hα-helixtrans-58.1-32.8174.8-75.2-17.9000113.8N109 L111 K117N109-N113 VanDerWaalsContact O-CB 3.24Å; N109-N113 WeakPolarHBondContact O-CB 3.12Å; N109-N113 PolarHBondContact O-N 3.46Å; N109-N113 PolarHBondContact O-ND2 3.48Å; L111-N113 PolarHBondContact O-N 2.77Å; N113-K117 WeakPolarHBondContact O-CE 3.4Å
114L97.5Very high97.2Very high8 Ų853.3 Ų53.34%0.04229%0.285CS..Hα-helixtrans-73.9-43.7175.817966.3000110.9V26 W82 E110 L111 H112 D116 K117 L120V26-L114 HydrophobicContact CG2-CD2 3.91Å; W82-L114 HydrophobicContact CB-CD1 3.88Å; W82-L114 HydrophobicContact CE3-CD2 4.32Å; E110-L114 WeakPolarHBondContact O-CB 3.36Å; E110-L114 PolarHBondContact O-N 3.46Å; E110-L114 VanDerWaalsContact O-N 3.1Å; L111-L114 WeakPolarHBondContact O-CB 3.23Å; L111-L114 PolarHBondContact O-N 3.09Å; L111-L114 VanDerWaalsContact O-N 3.12Å; H112-L114 PolarHBondContact O-N 3.28Å; L114-D116 VanDerWaalsContact C-N 3.33Å; L114-K117 VanDerWaalsContact O-CB 3.32Å; L114-K117 WeakPolarHBondContact O-CB 3.24Å; L114-K117 WeakPolarHBondContact O-CG 3.5Å; L114-K117 PolarHBondContact O-N 2.7Å; L114-L120 HydrophobicContact CD1-CD1 3.57Å; L114-L120 HydrophobicContact CG-CD1 3.92Å; L114-L120 WeakPolarHBondContact O-CD1 3.45Å
115L97.6Very high97.3Very high8 Ų853.1 Ų53.14%0.04228%0.283CS..Hα-helixtrans-75.5-22.9-176.2-59.1-177.1000113.1I92 L111 H112 K117 V125 I152 R155I92-L115 HydrophobicContact CD1-CD2 4.47Å; L111-L115 HydrophobicContact CD1-CD1 3.72Å; L111-L115 HydrophobicContact CD1-CD2 4.46Å; L111-L115 HydrophobicContact CD1-CG 3.99Å; L111-L115 HydrophobicContact CG-CD1 4.09Å; L111-L115 WeakPolarHBondContact O-CG 3.46Å; L111-L115 PolarHBondContact O-N 2.91Å; H112-L115 PolarHBondContact O-N 3Å; H112-L115 VanDerWaalsContact O-N 3.09Å; L115-K117 PolarHBondContact O-N 2.92Å; L115-K117 VanDerWaalsContact O-N 3.14Å; L115-V125 HydrophobicContact CD1-CG2 4.25Å; L115-V125 HydrophobicContact CD2-CG2 3.65Å; L115-I152 HydrophobicContact CD1-CD1 3.54Å; L115-I152 HydrophobicContact CD1-CG1 4.16Å; L115-I152 HydrophobicContact CD1-CG2 4.12Å; L115-R155 PolarHBondContact O-NH2 2.62Å
116D96.7Very high97.3Very high118 Ų11847.3 Ų47.363%0.63126%0.256SS*.THydrogen-bonded Turntrans-65-9.1170.9-76-9.5000113.5H112 L114 P118H112-D116 WeakPolarHBondContact O-CB 3.46Å; H112-D116 VanDerWaalsContact O-CG 3.27Å; H112-D116 PolarHBondContact O-N 3.5Å; L114-D116 VanDerWaalsContact C-N 3.33Å; D116-P118 VanDerWaalsContact O-CD 3.31Å; D116-P118 WeakPolarHBondContact O-CD 3.37Å
117K96.6Very high97.4Very high79 Ų7945.1 Ų45.134%0.34324%0.238SC..  trans-74118.5179.2-58.6-55.4-177-1680110.4E83 N113 L114 L115 Q119 L120E83-K117 HydrophobicContact CB-CG 4.42Å; E83-K117 HydrophobicContact CG-CB 4.12Å; E83-K117 HydrophobicContact CG-CD 4.39Å; E83-K117 HydrophobicContact CG-CG 3.89Å; E83-K117 WeakPolarHBondContact OE2-CD 3.45Å; E83-K117 WeakPolarHBondContact OE2-CE 3.34Å; N113-K117 WeakPolarHBondContact O-CE 3.4Å; L114-K117 VanDerWaalsContact O-CB 3.32Å; L114-K117 WeakPolarHBondContact O-CB 3.24Å; L114-K117 WeakPolarHBondContact O-CG 3.5Å; L114-K117 PolarHBondContact O-N 2.7Å; L115-K117 PolarHBondContact O-N 2.92Å; L115-K117 VanDerWaalsContact O-N 3.14Å; K117-Q119 PolarHBondContact O-N 2.88Å; K117-Q119 VanDerWaalsContact O-N 3.08Å; K117-L120 HydrophobicContact CB-CD1 4.19Å; K117-L120 HydrophobicContact CB-CG 4.04Å; K117-L120 PolarHBondContact O-N 3Å
118P95.1Very high97.4Very high96 Ų9645 Ų4562%0.62324%0.238SC*.G310 helixtrans-58.9-28.8-177.8-25.534.8000113.5D116 L120 Q121D116-P118 VanDerWaalsContact O-CD 3.31Å; D116-P118 WeakPolarHBondContact O-CD 3.37Å; P118-L120 PolarHBondContact O-N 3.32Å; P118-Q121 WeakPolarHBondContact O-CB 3.33Å; P118-Q121 PolarHBondContact O-N 3.43Å
119Q94.9Very high97.4Very high95 Ų9541.3 Ų41.344%0.44422%0.223SC..G310 helixtrans-70.4-11.5179.6-53.282.7700113.3E83 R87 K117E83-Q119 PolarHBondContact OE1-OE1 3.01Å; R87-Q119 HydrophobicContact CG-CB 4Å; K117-Q119 PolarHBondContact O-N 2.88Å; K117-Q119 VanDerWaalsContact O-N 3.08Å
120L96.8Very high97.4Very high0 Ų038.3 Ų38.30%021%0.207CC..G310 helixtrans-108.47.3-180-52.8-171.8000112.4C86 R87 I92 L114 K117 P118 G122 I123 R155C86-L120 VanDerWaalsContact C-CD2 3.45Å; C86-L120 HydrophobicContact CB-CD1 3.67Å; C86-L120 HydrophobicContact CB-CD2 3.52Å; C86-L120 HydrophobicContact CB-CG 4.27Å; C86-L120 WeakPolarHBondContact O-CD2 3.33Å; R87-L120 HydrophobicContact CG-CD2 3.9Å; I92-L120 HydrophobicContact CD1-CD1 4.28Å; L114-L120 HydrophobicContact CD1-CD1 3.57Å; L114-L120 HydrophobicContact CG-CD1 3.92Å; L114-L120 WeakPolarHBondContact O-CD1 3.45Å; K117-L120 HydrophobicContact CB-CD1 4.19Å; K117-L120 HydrophobicContact CB-CG 4.04Å; K117-L120 PolarHBondContact O-N 3Å; P118-L120 PolarHBondContact O-N 3.32Å; L120-G122 PolarHBondContact O-N 3.49Å; L120-I123 HydrophobicContact CB-CD1 4.31Å; L120-I123 HydrophobicContact CD2-CD1 4.15Å; L120-I123 WeakPolarHBondContact O-CG1 3.36Å; L120-I123 PolarHBondContact O-N 3.31Å; L120-R155 PolarHBondContact O-NH1 3.26Å
121Q95.7Very high97.4Very high142 Ų14238.9 Ų38.966%0.66421%0.209SC*.THydrogen-bonded Turntrans-57.8136.7-176.6-171.4177.22.200111.4P118 I123P118-Q121 WeakPolarHBondContact O-CB 3.33Å; P118-Q121 PolarHBondContact O-N 3.43Å; Q121-I123 PolarHBondContact O-N 2.94Å
122G95.6Very high97.4Very high43 Ų4344.4 Ų44.444%0.44323%0.23SC..THydrogen-bonded Turntrans75.4-8.6176.800000115.9L120 P124L120-G122 PolarHBondContact O-N 3.49Å; G122-P124 WeakPolarHBondContact O-CD 3.45Å
123I97.6Very high97.3Very high18 Ų1845.2 Ų45.29%0.09224%0.236CC..  trans-67.9123.5177.1-57.4178.5000109.3C86 V89 I92 L120 Q121 R155C86-I123 VanDerWaalsContact O-CD1 3.28Å; C86-I123 WeakPolarHBondContact O-CD1 3.31Å; V89-I123 HydrophobicContact CG2-CD1 4.38Å; V89-I123 HydrophobicContact CG2-CG2 3.94Å; I92-I123 HydrophobicContact CD1-CB 4.38Å; I92-I123 HydrophobicContact CD1-CG2 4.08Å; I92-I123 HydrophobicContact CG1-CG2 3.9Å; L120-I123 HydrophobicContact CB-CD1 4.31Å; L120-I123 HydrophobicContact CD2-CD1 4.15Å; L120-I123 WeakPolarHBondContact O-CG1 3.36Å; L120-I123 PolarHBondContact O-N 3.31Å; Q121-I123 PolarHBondContact O-N 2.94Å; I123-R155 WeakPolarHBondContact O-CD 3.39Å
124P98.1Very high97.3Very high27 Ų2744.5 Ų44.518%0.17523%0.231CC..  trans-58.1142.8177-25.534.7000112.9N90 A91 I92 G122 E156 W176N90-P124 WeakPolarHBondContact O-CD 3.15Å; A91-P124 WeakPolarHBondContact CA-O 3.31Å; I92-P124 PolarHBondContact N-O 3.33Å; G122-P124 WeakPolarHBondContact O-CD 3.45Å; P124-E156 WeakPolarHBondContact CA-O 3.34Å; P124-E156 HydrophobicContact CB-CB 4.31Å; P124-W176 HydrophobicContact CB-CH2 3.79Å; P124-W176 HydrophobicContact CB-CZ2 4.18Å
125V98.5Very high97.1Very high0 Ų050.6 Ų50.60%027%0.272CS..EExtended strand (participates in β ladder)trans-121.2126.6-178.6-179.20000110.9I92 L115 V127 E156 I157 C158I92-V125 HydrophobicContact CB-CG2 4.35Å; I92-V125 WeakPolarHBondContact O-CA 3.47Å; L115-V125 HydrophobicContact CD1-CG2 4.25Å; L115-V125 HydrophobicContact CD2-CG2 3.65Å; V125-V127 HydrophobicContact CG1-CG2 4.09Å; V125-E156 PolarHBondContact N-O 3.08Å; V125-I157 HydrophobicContact CB-CD1 4.31Å; V125-I157 HydrophobicContact CB-CG1 4.1Å; V125-I157 HydrophobicContact CG1-CD1 4.23Å; V125-I157 HydrophobicContact CG1-CG1 4.28Å; V125-I157 VanDerWaalsContact O-CA 3.32Å; V125-I157 WeakPolarHBondContact O-CA 3.31Å; V125-C158 PolarHBondContact O-N 3.22Å
126L98.6Very high97Very high0 Ų052.8 Ų52.80%029%0.287CS..EExtended strand (participates in β ladder)trans-108.5112.3168.2-178.362.8000110I92 V93 Y94 L128 C158 Y160 T173 W176I92-L126 PolarHBondContact O-N 3.08Å; V93-L126 CarbonylContact C-O 3.43Å; V93-L126 WeakPolarHBondContact CA-O 3.48Å; Y94-L126 PolarHBondContact N-O 2.99Å; L126-L128 HydrophobicContact CD1-CD2 4.26Å; L126-L128 HydrophobicContact CD2-CD2 3.91Å; L126-L128 HydrophobicContact CD2-CG 4.43Å; L126-L128 HydrophobicContact CG-CD2 3.82Å; L126-L128 HydrophobicContact CG-CG 4.24Å; L126-C158 HydrophobicContact CD1-CB 3.85Å; L126-Y160 HydrophobicContact CD1-CD2 3.82Å; L126-Y160 HydrophobicContact CD1-CE2 3.94Å; L126-Y160 HydrophobicContact CD1-CG 4.43Å; L126-T173 HydrophobicContact CD2-CG2 3.9Å; L126-W176 HydrophobicContact CB-CD2 4.32Å; L126-W176 HydrophobicContact CB-CE3 3.84Å; L126-W176 HydrophobicContact CB-CH2 3.93Å; L126-W176 HydrophobicContact CB-CZ2 4.4Å; L126-W176 HydrophobicContact CB-CZ3 3.63Å; L126-W176 HydrophobicContact CD1-CD2 4.21Å; L126-W176 HydrophobicContact CD1-CE3 4.46Å; L126-W176 HydrophobicContact CD1-CG 4.45Å; L126-W176 HydrophobicContact CD2-CD2 4.13Å; L126-W176 HydrophobicContact CD2-CE3 3.71Å; L126-W176 HydrophobicContact CD2-CZ3 4.3Å; L126-W176 HydrophobicContact CG-CD2 4.46Å; L126-W176 HydrophobicContact CG-CE3 4.22Å; L126-W176 HydrophobicContact CG-CZ3 4.5Å
127V98.8Very high97.1Very high0 Ų048.1 Ų48.10%027%0.265CS..EExtended strand (participates in β ladder)trans-87.7123.6174.2-178.30000109.3Y94 V96 L111 V125 L147 L149 I157 C158 C159 Y160Y94-V127 WeakPolarHBondContact O-CA 3.27Å; V96-V127 HydrophobicContact CG2-CG1 4.25Å; L111-V127 HydrophobicContact CD2-CG2 4.33Å; V125-V127 HydrophobicContact CG1-CG2 4.09Å; V127-L147 HydrophobicContact CG1-CD1 3.71Å; V127-L149 HydrophobicContact CB-CD1 4.24Å; V127-L149 HydrophobicContact CG1-CD1 4.45Å; V127-L149 HydrophobicContact CG2-CD1 4Å; V127-L149 HydrophobicContact CG2-CD2 4.15Å; V127-I157 HydrophobicContact CG2-CD1 4.23Å; V127-I157 HydrophobicContact CG2-CG1 4.36Å; V127-C158 PolarHBondContact N-O 3.47Å; V127-C159 HydrophobicContact CB-CB 4.25Å; V127-C159 CarbonylContact O-C 3.59Å; V127-C159 VanDerWaalsContact O-CA 3.28Å; V127-C159 WeakPolarHBondContact O-CA 3.45Å; V127-Y160 PolarHBondContact O-N 3.34Å
128L98.8Very high97.1Very high0 Ų044.4 Ų44.40%025%0.249CC..EExtended strand (participates in β ladder)trans-112.1110.9177.1-62.1-177.3000110F36 V93 Y94 M95 V96 L126 N130 Y160 V162 T173F36-L128 HydrophobicContact CD2-CD1 4.33Å; F36-L128 HydrophobicContact CE2-CD1 3.91Å; F36-L128 HydrophobicContact CZ-CD1 4.04Å; V93-L128 HydrophobicContact CG1-CD1 3.53Å; V93-L128 HydrophobicContact CG1-CG 3.94Å; Y94-L128 PolarHBondContact O-N 3.09Å; M95-L128 HydrophobicContact CE-CB 4.2Å; M95-L128 HydrophobicContact CE-CD1 3.85Å; M95-L128 HydrophobicContact SD-CB 3.65Å; M95-L128 HydrophobicContact SD-CD1 4.41Å; V96-L128 PolarHBondContact N-O 3.11Å; L126-L128 HydrophobicContact CD1-CD2 4.26Å; L126-L128 HydrophobicContact CD2-CD2 3.91Å; L126-L128 HydrophobicContact CD2-CG 4.43Å; L126-L128 HydrophobicContact CG-CD2 3.82Å; L126-L128 HydrophobicContact CG-CG 4.24Å; L128-N130 PolarHBondContact O-N 2.81Å; L128-Y160 WeakPolarHBondContact CA-O 3.23Å; L128-Y160 HydrophobicContact CD2-CD2 4.38Å; L128-V162 HydrophobicContact CB-CG2 4.17Å; L128-V162 HydrophobicContact CD2-CG1 4.01Å; L128-T173 HydrophobicContact CD1-CG2 3.78Å; L128-T173 HydrophobicContact CD2-CG2 4.03Å
129G98.6Very high97.2Very high0 Ų043.4 Ų43.40%024%0.239CC..EExtended strand (participates in β ladder)trans-81.391.6168.300000110.5Y160 S161 V162G129-Y160 PolarHBondContact N-O 3.12Å; G129-S161 WeakPolarHBondContact O-CA 3.44Å; G129-V162 PolarHBondContact O-N 3.02Å
130N98.3Very high97.2Very high4 Ų443.1 Ų43.12%0.02124%0.237CC..EExtended strand (participates in β ladder)trans-84.4166.5-175.9-174.236.1000112.7S31 M95 V96 A98 L128 V162 C164S31-N130 PolarHBondContact O-ND2 2.77Å; M95-N130 HydrophobicContact CG-CB 4.37Å; M95-N130 HydrophobicContact SD-CB 3.49Å; M95-N130 WeakPolarHBondContact SD-CB 3.49Å; V96-N130 PolarHBondContact O-N 2.89Å; A98-N130 VanDerWaalsContact CB-O 3.27Å; A98-N130 WeakPolarHBondContact CB-O 3.49Å; A98-N130 PolarHBondContact N-O 3.27Å; L128-N130 PolarHBondContact O-N 2.81Å; N130-V162 CarbonylContact C-O 3.57Å; N130-V162 VanDerWaalsContact CA-O 3.31Å; N130-V162 WeakPolarHBondContact CA-O 3.31Å; N130-V162 HydrophobicContact CB-CG2 3.98Å; N130-C164 PolarHBondContact OD1-N 3.3Å; N130-C164 PolarHBondContact OD1-SG 2.84Å
131K97.6Very high97.3Very high54 Ų5451.1 Ų51.124%0.23527%0.272CS..  trans68.933.4-177.1-43.8-170.3-167.3172.50113.7Y30 D97 A99 D133 L134 A137 V162Y30-K131 VanDerWaalsContact O-CE 3.31Å; Y30-K131 WeakPolarHBondContact O-CE 3.44Å; Y30-K131 PolarHBondContact O-NZ 3.22Å; D97-K131 WeakPolarHBondContact OD1-CD 3.43Å; D97-K131 VanDerWaalsContact OD2-CE 3.23Å; D97-K131 WeakPolarHBondContact OD2-CE 3.49Å; D97-K131 IonicContact OD2-NZ 2.81Å; D97-K131 PolarHBondContact OD2-NZ 2.67Å; A99-K131 HydrophobicContact CB-CB 4.39Å; K131-D133 WeakPolarHBondContact CA-OD1 3.39Å; K131-D133 PolarHBondContact O-N 2.82Å; K131-D133 VanDerWaalsContact O-N 3.11Å; K131-L134 HydrophobicContact CB-CD1 3.94Å; K131-L134 HydrophobicContact CB-CG 4.27Å; K131-L134 HydrophobicContact CD-CD1 4.11Å; K131-L134 WeakPolarHBondContact O-CB 3.33Å; K131-L134 PolarHBondContact O-N 2.99Å; K131-A137 WeakPolarHBondContact O-CB 3.3Å; K131-V162 PolarHBondContact N-O 3.03Å; K131-V162 VanDerWaalsContact N-O 3.16Å
132R97.3Very high97.4Very high116 Ų11647.7 Ų47.744%0.43826%0.256SS..THydrogen-bonded Turntrans-55.4-24.3174-172.9-173.5-174.4-173.57.6113.5L134 S161 V162 D168 N169R132-L134 PolarHBondContact O-N 3.03Å; R132-S161 VanDerWaalsContact CD-OG 3.26Å; R132-S161 WeakPolarHBondContact CD-OG 3.01Å; R132-S161 WeakPolarHBondContact CG-OG 3.42Å; R132-V162 VanDerWaalsContact CB-O 3.28Å; R132-V162 WeakPolarHBondContact CB-O 3.35Å; R132-V162 PolarHBondContact N-O 3.22Å; R132-V162 VanDerWaalsContact N-O 3.07Å; R132-D168 WeakPolarHBondContact CD-OD2 3.47Å; R132-D168 IonicContact CZ-OD2 3.72Å; R132-D168 IonicContact NE-OD2 2.7Å; R132-D168 IonicContact NH1-OD2 3.44Å; R132-D168 PolarHBondContact NH1-OD2 2.57Å; R132-N169 PolarHBondContact NH1-ND2 3.23Å
133D96.8Very high97.5Very high56 Ų5645.6 Ų45.630%0.29924%0.235SC..THydrogen-bonded Turntrans-62.3-18174.953.5-76.9000113.9K131 S163 E166K131-D133 WeakPolarHBondContact CA-OD1 3.39Å; K131-D133 PolarHBondContact O-N 2.82Å; K131-D133 VanDerWaalsContact O-N 3.11Å; D133-S163 WeakPolarHBondContact OD1-CB 3.29Å; D133-S163 PolarHBondContact OD1-OG 3.18Å; D133-E166 HydrophobicContact CB-CG 3.82Å
134L97Very high97.5Very high70 Ų7047.7 Ų47.737%0.36625%0.245SC..SBendtrans-86.7138.5179.9-61.7179.5000111.9A99 K131 R132 S136 A137A99-L134 HydrophobicContact CB-CB 3.8Å; A99-L134 HydrophobicContact CB-CD1 3.54Å; A99-L134 HydrophobicContact CB-CG 4.27Å; K131-L134 HydrophobicContact CB-CD1 3.94Å; K131-L134 HydrophobicContact CB-CG 4.27Å; K131-L134 HydrophobicContact CD-CD1 4.11Å; K131-L134 WeakPolarHBondContact O-CB 3.33Å; K131-L134 PolarHBondContact O-N 2.99Å; R132-L134 PolarHBondContact O-N 3.03Å; L134-S136 PolarHBondContact O-N 3.3Å; L134-S136 VanDerWaalsContact O-N 3.09Å; L134-A137 WeakPolarHBondContact O-CB 3.48Å; L134-A137 PolarHBondContact O-N 2.88Å
135P94.9Very high97.5Very high137 Ų13753.6 Ų53.689%0.8927%0.271SS*.THydrogen-bonded Turntrans-60-25.5-177.2-25.633.7000115.5A137P135-A137 VanDerWaalsContact C-N 3.31Å
136S95.5Very high97.5Very high53 Ų5358.3 Ų58.337%0.37129%0.291SS..THydrogen-bonded Turntrans-84-5.617960.50000113.7A99 R101 L134 L138A99-S136 WeakPolarHBondContact CB-OG 3.35Å; A99-S136 PolarHBondContact O-OG 3.19Å; A99-S136 VanDerWaalsContact O-OG 3.08Å; R101-S136 PolarHBondContact NE-O 3.07Å; R101-S136 PolarHBondContact NH2-O 3.16Å; L134-S136 PolarHBondContact O-N 3.3Å; L134-S136 VanDerWaalsContact O-N 3.09Å; S136-L138 PolarHBondContact O-N 3.04Å
137A97.8Very high97.5Very high20 Ų2058.3 Ų58.317%0.16529%0.291CS..PPolyproline II helixtrans-59.7134.9-17400000112.4A98 A99 K131 L134 P135A98-A137 HydrophobicContact CB-CB 4.18Å; A98-A137 CarbonylContact O-C 3.6Å; A98-A137 WeakPolarHBondContact O-CA 3.38Å; A99-A137 HydrophobicContact CB-CB 4.47Å; K131-A137 WeakPolarHBondContact O-CB 3.3Å; L134-A137 WeakPolarHBondContact O-CB 3.48Å; L134-A137 PolarHBondContact O-N 2.88Å; P135-A137 VanDerWaalsContact C-N 3.31Å
138L97.8Very high97.5Very high2 Ų261.5 Ų61.51%0.0131%0.308CS..PPolyproline II helixtrans-71.6138.1170-61.7172.5000110A98 R101 V104 S136 Q142 L143 K146A98-L138 HydrophobicContact CB-CB 4.38Å; A98-L138 WeakPolarHBondContact O-CG 3.4Å; A98-L138 PolarHBondContact O-N 3.48Å; R101-L138 HydrophobicContact CG-CD2 4.34Å; R101-L138 HydrophobicContact CG-CG 4.42Å; V104-L138 HydrophobicContact CG1-CD1 4.38Å; V104-L138 HydrophobicContact CG2-CD1 3.76Å; S136-L138 PolarHBondContact O-N 3.04Å; L138-Q142 HydrophobicContact CB-CB 4.08Å; L138-Q142 HydrophobicContact CD2-CB 4.06Å; L138-L143 HydrophobicContact CB-CD2 4.19Å; L138-L143 HydrophobicContact CB-CG 3.93Å; L138-L143 HydrophobicContact CD1-CD2 4.11Å; L138-K146 HydrophobicContact CD1-CD 3.59Å; L138-K146 HydrophobicContact CD2-CD 4.05Å; L138-K146 HydrophobicContact CG-CD 4.49Å
139D96.1Very high97.5Very high75 Ų7561.9 Ų61.940%0.40131%0.31SS..PPolyproline II helixtrans-76173.7168.970.832.6000111.7K141 Q142 L143D139-K141 VanDerWaalsContact C-N 3.32Å; D139-K141 PolarHBondContact O-N 3.02Å; D139-K141 PolarHBondContact OD1-N 3.18Å; D139-Q142 VanDerWaalsContact N-OE1 3.09Å; D139-Q142 PolarHBondContact O-N 3.38Å; D139-Q142 WeakPolarHBondContact OD1-CB 3.27Å; D139-Q142 VanDerWaalsContact OD1-CG 3.31Å; D139-Q142 WeakPolarHBondContact OD1-CG 3.23Å; D139-Q142 PolarHBondContact OD1-N 3.42Å; D139-L143 WeakPolarHBondContact O-CG 3.31Å; D139-L143 PolarHBondContact O-N 2.87Å
140E95.8Very high97.4Very high88 Ų8865.8 Ų65.841%0.41134%0.338SS..Hα-helixtrans-57.1-42.2-178.8-171.1-172.4136.700112.9L143 I144 C159E140-L143 PolarHBondContact O-N 3.45Å; E140-I144 HydrophobicContact CG-CD1 4.12Å; E140-I144 VanDerWaalsContact O-CG1 3.29Å; E140-I144 WeakPolarHBondContact O-CG1 3.2Å; E140-I144 PolarHBondContact O-N 2.9Å; E140-C159 HydrophobicContact CG-CB 4.32Å; E140-C159 VanDerWaalsContact CG-O 3.31Å; E140-C159 WeakPolarHBondContact CG-O 3.38Å
141K97.3Very high97.4Very high168 Ų16868.2 Ų68.273%0.7336%0.359SS*.Hα-helixtrans-67.1-43.3-178.6-67.6-177.9178.71790111D139 L143 I144 E145D139-K141 VanDerWaalsContact C-N 3.32Å; D139-K141 PolarHBondContact O-N 3.02Å; D139-K141 PolarHBondContact OD1-N 3.18Å; K141-L143 VanDerWaalsContact C-N 3.31Å; K141-L143 PolarHBondContact O-N 3.4Å; K141-I144 PolarHBondContact O-N 2.62Å; K141-E145 PolarHBondContact O-N 2.97Å
142Q98.1Very high97.4Very high70 Ų7066.5 Ų66.533%0.32735%0.352SS..Hα-helixtrans-64.8-35.8176.8-69175.3-31.700112.1L138 D139 K146L138-Q142 HydrophobicContact CB-CB 4.08Å; L138-Q142 HydrophobicContact CD2-CB 4.06Å; D139-Q142 VanDerWaalsContact N-OE1 3.09Å; D139-Q142 PolarHBondContact O-N 3.38Å; D139-Q142 WeakPolarHBondContact OD1-CB 3.27Å; D139-Q142 VanDerWaalsContact OD1-CG 3.31Å; D139-Q142 WeakPolarHBondContact OD1-CG 3.23Å; D139-Q142 PolarHBondContact OD1-N 3.42Å; Q142-K146 VanDerWaalsContact O-CB 3.27Å; Q142-K146 WeakPolarHBondContact O-CB 3.19Å; Q142-K146 WeakPolarHBondContact O-CG 3.35Å; Q142-K146 PolarHBondContact O-N 3.04Å
143L98.3Very high97.4Very high0 Ų069.2 Ų69.20%037%0.369CS..Hα-helixtrans-66.5-46173.8-75.4162.5000111.5V96 A98 L138 D139 E140 K141 E145 K146 L147V96-L143 HydrophobicContact CG1-CD2 4.19Å; A98-L143 HydrophobicContact CB-CD1 4.35Å; L138-L143 HydrophobicContact CB-CD2 4.19Å; L138-L143 HydrophobicContact CB-CG 3.93Å; L138-L143 HydrophobicContact CD1-CD2 4.11Å; D139-L143 WeakPolarHBondContact O-CG 3.31Å; D139-L143 PolarHBondContact O-N 2.87Å; E140-L143 PolarHBondContact O-N 3.45Å; K141-L143 VanDerWaalsContact C-N 3.31Å; K141-L143 PolarHBondContact O-N 3.4Å; L143-E145 VanDerWaalsContact C-N 3.28Å; L143-E145 PolarHBondContact O-N 3.43Å; L143-K146 PolarHBondContact O-N 3.09Å; L143-L147 HydrophobicContact CB-CD1 4.42Å; L143-L147 HydrophobicContact CD2-CD1 4.2Å; L143-L147 WeakPolarHBondContact O-CB 3.35Å; L143-L147 VanDerWaalsContact O-CG 3.3Å; L143-L147 WeakPolarHBondContact O-CG 3.26Å; L143-L147 PolarHBondContact O-N 2.89Å
144I98.4Very high97.3Very high61 Ų6170.2 Ų70.231%0.31338%0.375SS..Hα-helixtrans-55-46.6176.2-71.5163.1000110.7E140 K141 N148 L149 C159E140-I144 HydrophobicContact CG-CD1 4.12Å; E140-I144 VanDerWaalsContact O-CG1 3.29Å; E140-I144 WeakPolarHBondContact O-CG1 3.2Å; E140-I144 PolarHBondContact O-N 2.9Å; K141-I144 PolarHBondContact O-N 2.62Å; I144-N148 PolarHBondContact O-N 2.8Å; I144-N148 VanDerWaalsContact O-N 3.17Å; I144-L149 HydrophobicContact CG1-CD1 4.07Å; I144-L149 HydrophobicContact CG2-CB 4.4Å; I144-L149 PolarHBondContact O-N 2.72Å; I144-C159 HydrophobicContact CD1-CB 4.39Å; I144-C159 HydrophobicContact CG1-CB 3.94Å
145E98.3Very high97.4Very high151 Ų15168 Ų6871%0.70636%0.362SS*.Hα-helixtrans-67-54.6178.8-173.7-176.4176.500112K141 L143 L147 N148K141-E145 PolarHBondContact O-N 2.97Å; L143-E145 VanDerWaalsContact C-N 3.28Å; L143-E145 PolarHBondContact O-N 3.43Å; E145-L147 VanDerWaalsContact C-N 3.33Å; E145-L147 PolarHBondContact O-N 3.18Å; E145-N148 PolarHBondContact O-N 3.39Å
146K98.3Very high97.5Very high99 Ų9966.3 Ų66.343%0.4334%0.342SS..Hα-helixtrans-68.4-30.2-174.3-76.4178169.6-77.60113.5V104 R108 L138 Q142 L143 N148V104-K146 HydrophobicContact CG1-CB 3.71Å; V104-K146 HydrophobicContact CG1-CD 4.28Å; R108-K146 WeakPolarHBondContact CD-O 3.37Å; L138-K146 HydrophobicContact CD1-CD 3.59Å; L138-K146 HydrophobicContact CD2-CD 4.05Å; L138-K146 HydrophobicContact CG-CD 4.49Å; Q142-K146 VanDerWaalsContact O-CB 3.27Å; Q142-K146 WeakPolarHBondContact O-CB 3.19Å; Q142-K146 WeakPolarHBondContact O-CG 3.35Å; Q142-K146 PolarHBondContact O-N 3.04Å; L143-K146 PolarHBondContact O-N 3.09Å; K146-N148 VanDerWaalsContact C-N 3.29Å
147L98.6Very high97.6Very high0 Ų066 Ų660%034%0.335CS..THydrogen-bonded Turntrans-87.4-1.3173.8-59.3172.1000112.3V96 V104 R108 H112 V127 L143 E145 L149V96-L147 HydrophobicContact CG2-CD1 3.98Å; V104-L147 HydrophobicContact CG1-CD2 4.01Å; R108-L147 HydrophobicContact CB-CD2 4.02Å; R108-L147 WeakPolarHBondContact CG-O 3.44Å; H112-L147 PolarHBondContact NE2-O 3.13Å; V127-L147 HydrophobicContact CG1-CD1 3.71Å; L143-L147 HydrophobicContact CB-CD1 4.42Å; L143-L147 HydrophobicContact CD2-CD1 4.2Å; L143-L147 WeakPolarHBondContact O-CB 3.35Å; L143-L147 VanDerWaalsContact O-CG 3.3Å; L143-L147 WeakPolarHBondContact O-CG 3.26Å; L143-L147 PolarHBondContact O-N 2.89Å; E145-L147 VanDerWaalsContact C-N 3.33Å; E145-L147 PolarHBondContact O-N 3.18Å; L147-L149 VanDerWaalsContact C-N 3.27Å; L147-L149 HydrophobicContact CB-CD2 3.51Å; L147-L149 HydrophobicContact CB-CG 3.87Å; L147-L149 HydrophobicContact CD1-CD2 4.34Å; L147-L149 PolarHBondContact O-N 3.39Å
148N98.3Very high97.7Very high67 Ų6766.3 Ų66.336%0.35834%0.336SS..THydrogen-bonded Turntrans50.147.1-178.5-169.530.5000112.2H112 I144 E145 K146 S150 A151H112-N148 PolarHBondContact CE1-O 3.12Å; I144-N148 PolarHBondContact O-N 2.8Å; I144-N148 VanDerWaalsContact O-N 3.17Å; E145-N148 PolarHBondContact O-N 3.39Å; K146-N148 VanDerWaalsContact C-N 3.29Å; N148-S150 PolarHBondContact O-N 3.25Å; N148-A151 VanDerWaalsContact ND2-CB 3.33Å; N148-A151 WeakPolarHBondContact ND2-CB 3.48Å; N148-A151 PolarHBondContact O-N 3.47Å
149L98.3Very high97.7Very high8 Ų866.5 Ų66.54%0.04234%0.338CS..G310 helixtrans-67.8-26.3-174.4-57.2-172.4000112L111 V127 I144 L147 A151 I152 I157 C159L111-L149 HydrophobicContact CD2-CD2 3.6Å; V127-L149 HydrophobicContact CB-CD1 4.24Å; V127-L149 HydrophobicContact CG1-CD1 4.45Å; V127-L149 HydrophobicContact CG2-CD1 4Å; V127-L149 HydrophobicContact CG2-CD2 4.15Å; I144-L149 HydrophobicContact CG1-CD1 4.07Å; I144-L149 HydrophobicContact CG2-CB 4.4Å; I144-L149 PolarHBondContact O-N 2.72Å; L147-L149 VanDerWaalsContact C-N 3.27Å; L147-L149 HydrophobicContact CB-CD2 3.51Å; L147-L149 HydrophobicContact CB-CG 3.87Å; L147-L149 HydrophobicContact CD1-CD2 4.34Å; L147-L149 PolarHBondContact O-N 3.39Å; L149-A151 PolarHBondContact O-N 3.36Å; L149-I152 HydrophobicContact CD2-CD1 4.24Å; L149-I152 WeakPolarHBondContact O-CB 3.42Å; L149-I152 PolarHBondContact O-N 2.86Å; L149-I152 VanDerWaalsContact O-N 3.08Å; L149-I157 HydrophobicContact CB-CD1 4.31Å; L149-I157 HydrophobicContact CD2-CD1 3.95Å; L149-I157 HydrophobicContact CG-CD1 4.49Å; L149-C159 HydrophobicContact CD1-CB 3.82Å
150S97.1Very high97.8Very high82 Ų8265.3 Ų65.357%0.57333%0.328SS*.G310 helixtrans-63.8-19.5176.149.90000114.5N148 I152N148-S150 PolarHBondContact O-N 3.25Å; S150-I152 VanDerWaalsContact C-N 3.3Å
151A97.6Very high97.9Very high56 Ų5661.4 Ų61.446%0.46331%0.31SS..G310 helixtrans-77.9-16.4175.300000112.9N148 L149 Q153N148-A151 VanDerWaalsContact ND2-CB 3.33Å; N148-A151 WeakPolarHBondContact ND2-CB 3.48Å; N148-A151 PolarHBondContact O-N 3.47Å; L149-A151 PolarHBondContact O-N 3.36Å; A151-Q153 PolarHBondContact O-N 3.22Å
152I97.9Very high97.9Very high17 Ų1753.4 Ų53.49%0.08728%0.275CS..  trans-87.9105.5178.4-60.1159.2000107.6L111 L115 L149 S150 R155 I157L111-I152 HydrophobicContact CD2-CD1 4.41Å; L115-I152 HydrophobicContact CD1-CD1 3.54Å; L115-I152 HydrophobicContact CD1-CG1 4.16Å; L115-I152 HydrophobicContact CD1-CG2 4.12Å; L149-I152 HydrophobicContact CD2-CD1 4.24Å; L149-I152 WeakPolarHBondContact O-CB 3.42Å; L149-I152 PolarHBondContact O-N 2.86Å; L149-I152 VanDerWaalsContact O-N 3.08Å; S150-I152 VanDerWaalsContact C-N 3.3Å; I152-R155 HydrophobicContact CG2-CG 3.77Å; I152-I157 HydrophobicContact CB-CD1 4.33Å; I152-I157 HydrophobicContact CD1-CD1 3.56Å; I152-I157 HydrophobicContact CG2-CD1 4.3Å
153Q96.5Very high97.9Very high173 Ų17350.1 Ų50.181%0.80826%0.26SS*.  trans-120.3-1.2-175.5-60.6-166.8-14.700113.7A151A151-Q153 PolarHBondContact O-N 3.22Å
154D96.4Very high97.8Very high78 Ų7850.2 Ų50.242%0.41726%0.261SS..SBendtrans-91.22-174.472.9-37.3000113.8
155R97.6Very high97.5Very high24 Ų2451.8 Ų51.89%0.09127%0.265CS..SBendtrans-159.7164.5-175.564.8-165.769.1-145.93.1111.3L115 L120 I123 I152L115-R155 PolarHBondContact O-NH2 2.62Å; L120-R155 PolarHBondContact O-NH1 3.26Å; I123-R155 WeakPolarHBondContact O-CD 3.39Å; I152-R155 HydrophobicContact CG2-CG 3.77Å
156E97.8Very high97.4Very high100 Ų10050.4 Ų50.447%0.46726%0.259SS..  trans-66.8132.1165.2-178.8174.5162.900110.1P124 V125 W176 H180P124-E156 WeakPolarHBondContact CA-O 3.34Å; P124-E156 HydrophobicContact CB-CB 4.31Å; V125-E156 PolarHBondContact N-O 3.08Å; E156-W176 PolarHBondContact OE1-NE1 3.3Å; E156-H180 IonicContact OE1-CE1 3.75Å; E156-H180 PolarHBondContact OE1-CE1 3.34Å; E156-H180 IonicContact OE1-NE2 3.25Å; E156-H180 PolarHBondContact OE1-NE2 3.1Å; E156-H180 IonicContact OE2-NE2 3.21Å; E156-H180 PolarHBondContact OE2-NE2 2.86Å
157I98.1Very high97.2Very high46 Ų4650.9 Ų50.924%0.23626%0.261CS..EExtended strand (participates in β ladder)trans-135.8130.7173.5-168.3161.1000110.6V125 V127 L149 I152V125-I157 HydrophobicContact CB-CD1 4.31Å; V125-I157 HydrophobicContact CB-CG1 4.1Å; V125-I157 HydrophobicContact CG1-CD1 4.23Å; V125-I157 HydrophobicContact CG1-CG1 4.28Å; V125-I157 VanDerWaalsContact O-CA 3.32Å; V125-I157 WeakPolarHBondContact O-CA 3.31Å; V127-I157 HydrophobicContact CG2-CD1 4.23Å; V127-I157 HydrophobicContact CG2-CG1 4.36Å; L149-I157 HydrophobicContact CB-CD1 4.31Å; L149-I157 HydrophobicContact CD2-CD1 3.95Å; L149-I157 HydrophobicContact CG-CD1 4.49Å; I152-I157 HydrophobicContact CB-CD1 4.33Å; I152-I157 HydrophobicContact CD1-CD1 3.56Å; I152-I157 HydrophobicContact CG2-CD1 4.3Å
158C98.1Very high97.1Very high28 Ų2853.7 Ų53.719%0.18928%0.276CS..EExtended strand (participates in β ladder)trans-126.4151.6176.6-172.20000109.7V125 L126 V127 Y160 W176V125-C158 PolarHBondContact O-N 3.22Å; L126-C158 HydrophobicContact CD1-CB 3.85Å; V127-C158 PolarHBondContact N-O 3.47Å; C158-Y160 WeakPolarHBondContact SG-CE1 3.31Å; C158-Y160 VanDerWaalsContact SG-CZ 3.54Å; C158-W176 HydrophobicContact CB-CZ2 4.47Å
159C98.6Very high97Very high6 Ų652.4 Ų52.44%0.04127%0.269CS..EExtended strand (participates in β ladder)trans-132.2129.7177.6-171.50000110.3V127 E140 I144 L149V127-C159 HydrophobicContact CB-CB 4.25Å; V127-C159 CarbonylContact O-C 3.59Å; V127-C159 VanDerWaalsContact O-CA 3.28Å; V127-C159 WeakPolarHBondContact O-CA 3.45Å; E140-C159 HydrophobicContact CG-CB 4.32Å; E140-C159 VanDerWaalsContact CG-O 3.31Å; E140-C159 WeakPolarHBondContact CG-O 3.38Å; I144-C159 HydrophobicContact CD1-CB 4.39Å; I144-C159 HydrophobicContact CG1-CB 3.94Å; L149-C159 HydrophobicContact CD1-CB 3.82Å
160Y98.4Very high96.8Very high50 Ų5052.6 Ų52.620%0.19627%0.27CS..EExtended strand (participates in β ladder)trans-125.2143.4171.5-62.3-35000111.1L126 V127 L128 G129 C158 I172 W176L126-Y160 HydrophobicContact CD1-CD2 3.82Å; L126-Y160 HydrophobicContact CD1-CE2 3.94Å; L126-Y160 HydrophobicContact CD1-CG 4.43Å; V127-Y160 PolarHBondContact O-N 3.34Å; L128-Y160 WeakPolarHBondContact CA-O 3.23Å; L128-Y160 HydrophobicContact CD2-CD2 4.38Å; G129-Y160 PolarHBondContact N-O 3.12Å; C158-Y160 WeakPolarHBondContact SG-CE1 3.31Å; C158-Y160 VanDerWaalsContact SG-CZ 3.54Å; Y160-I172 HydrophobicContact CD1-CD1 4.14Å; Y160-I172 HydrophobicContact CD2-CD1 4.13Å; Y160-I172 HydrophobicContact CD2-CG1 4.18Å; Y160-I172 HydrophobicContact CE1-CD1 4.34Å; Y160-I172 HydrophobicContact CE2-CD1 4.31Å; Y160-I172 HydrophobicContact CE2-CG1 4.27Å; Y160-I172 HydrophobicContact CG-CD1 4.07Å; Y160-W176 HydrophobicContact CE2-CB 4.12Å; Y160-W176 HydrophobicContact CE2-CG 4.49Å
161S97.9Very high96.5Very high5 Ų552.9 Ų52.94%0.03527%0.265CS..EExtended strand (participates in β ladder)trans-88.4125.7165.4-169.90000109.2G129 R132 N169G129-S161 WeakPolarHBondContact O-CA 3.44Å; R132-S161 VanDerWaalsContact CD-OG 3.26Å; R132-S161 WeakPolarHBondContact CD-OG 3.01Å; R132-S161 WeakPolarHBondContact CG-OG 3.42Å; S161-N169 WeakPolarHBondContact O-CB 3.35Å; S161-N169 PolarHBondContact O-ND2 3.24Å
162V98Very high96.3Very high0 Ų052.5 Ų52.50%026%0.255CS..  trans-133.8158.1-172.7-56.30000111.8L128 G129 N130 K131 R132 N169 I170L128-V162 HydrophobicContact CB-CG2 4.17Å; L128-V162 HydrophobicContact CD2-CG1 4.01Å; G129-V162 PolarHBondContact O-N 3.02Å; N130-V162 CarbonylContact C-O 3.57Å; N130-V162 VanDerWaalsContact CA-O 3.31Å; N130-V162 WeakPolarHBondContact CA-O 3.31Å; N130-V162 HydrophobicContact CB-CG2 3.98Å; K131-V162 PolarHBondContact N-O 3.03Å; K131-V162 VanDerWaalsContact N-O 3.16Å; R132-V162 VanDerWaalsContact CB-O 3.28Å; R132-V162 WeakPolarHBondContact CB-O 3.35Å; R132-V162 PolarHBondContact N-O 3.22Å; R132-V162 VanDerWaalsContact N-O 3.07Å; V162-N169 HydrophobicContact CB-CB 4.46Å; V162-N169 HydrophobicContact CG1-CB 3.88Å; V162-I170 HydrophobicContact CB-CD1 4.38Å
163S97.4Very high96.1Very high2 Ų251.7 Ų51.71%0.01425%0.251CS..BIsolated β-bridgetrans-125.9113.5164177.10000109.6D133 K165 E166 K167 D168D133-S163 WeakPolarHBondContact OD1-CB 3.29Å; D133-S163 PolarHBondContact OD1-OG 3.18Å; S163-K165 PolarHBondContact O-N 2.97Å; S163-K165 PolarHBondContact OG-N 2.98Å; S163-E166 PolarHBondContact OG-N 3.29Å; S163-K167 CarbonylContact O-C 3.57Å; S163-K167 WeakPolarHBondContact O-CA 3.47Å; S163-K167 PolarHBondContact O-N 2.64Å; S163-D168 PolarHBondContact N-O 3.05Å; S163-D168 VanDerWaalsContact N-O 3.1Å; S163-D168 PolarHBondContact O-N 2.68Å
164C95.3Very high95.9Very high2 Ų244 Ų441%0.01422%0.215CC..THydrogen-bonded Turntrans-66.3-29.6170.4-64.10000112.1T35 V39 N130T35-C164 HydrophobicContact CG2-CB 3.78Å; V39-C164 HydrophobicContact CG2-CB 4.32Å; V39-C164 WeakPolarHBondContact CG2-O 3.39Å; N130-C164 PolarHBondContact OD1-N 3.3Å; N130-C164 PolarHBondContact OD1-SG 2.84Å
165K93.9Very high95.6Very high93 Ų9346.2 Ų46.240%0.40422%0.223SC..THydrogen-bonded Turntrans-69.4-53.3-179.1180-179.7172.21780110.9F45 S163 K167F45-K165 HydrophobicContact CE1-CG 4.07Å; F45-K165 HydrophobicContact CE2-CB 4.3Å; F45-K165 HydrophobicContact CZ-CB 4.28Å; F45-K165 HydrophobicContact CZ-CG 4.19Å; S163-K165 PolarHBondContact O-N 2.97Å; S163-K165 PolarHBondContact OG-N 2.98Å; K165-K167 VanDerWaalsContact C-N 3.31Å
166E94.6Very high95.4Very high122 Ų12245.7 Ų45.757%0.5722%0.221SC*.THydrogen-bonded Turntrans-88-2.7-178.7-57.1-54.9146.300113D133 S163 D168D133-E166 HydrophobicContact CB-CG 3.82Å; S163-E166 PolarHBondContact OG-N 3.29Å; E166-D168 PolarHBondContact O-N 3.37Å
167K94.4Very high95.2Very high109 Ų10941 Ų4147%0.47420%0.199SC..THydrogen-bonded Turntrans59.526.7-175.7-53.3174.8179171.70113.7V39 G43 S163 K165 I170V39-K167 HydrophobicContact CG1-CG 4.13Å; G43-K167 VanDerWaalsContact O-CE 3.26Å; G43-K167 WeakPolarHBondContact O-CE 3.35Å; G43-K167 PolarHBondContact O-NZ 2.87Å; S163-K167 CarbonylContact O-C 3.57Å; S163-K167 WeakPolarHBondContact O-CA 3.47Å; S163-K167 PolarHBondContact O-N 2.64Å; K165-K167 VanDerWaalsContact C-N 3.31Å; K167-I170 HydrophobicContact CB-CG1 4.41Å
168D95.9Very high94.7Very high60 Ų6041.3 Ų41.332%0.32120%0.201SC..BIsolated β-bridgetrans-72.5133.3176.5-172.228.7000111R132 S163 E166 I170R132-D168 WeakPolarHBondContact CD-OD2 3.47Å; R132-D168 IonicContact CZ-OD2 3.72Å; R132-D168 IonicContact NE-OD2 2.7Å; R132-D168 IonicContact NH1-OD2 3.44Å; R132-D168 PolarHBondContact NH1-OD2 2.57Å; S163-D168 PolarHBondContact N-O 3.05Å; S163-D168 VanDerWaalsContact N-O 3.1Å; S163-D168 PolarHBondContact O-N 2.68Å; E166-D168 PolarHBondContact O-N 3.37Å; D168-I170 PolarHBondContact O-N 2.83Å; D168-I170 VanDerWaalsContact O-N 3.12Å
169N96.5Very high94.3Very high39 Ų3946.9 Ų46.921%0.20922%0.224CC..THydrogen-bonded Turntrans57.216.2179.9-71.4-24.6000116.5R132 S161 V162 D171 I172 T173R132-N169 PolarHBondContact NH1-ND2 3.23Å; S161-N169 WeakPolarHBondContact O-CB 3.35Å; S161-N169 PolarHBondContact O-ND2 3.24Å; V162-N169 HydrophobicContact CB-CB 4.46Å; V162-N169 HydrophobicContact CG1-CB 3.88Å; N169-D171 VanDerWaalsContact C-N 3.31Å; N169-I172 HydrophobicContact CB-CD1 3.79Å; N169-I172 HydrophobicContact CB-CG1 3.83Å; N169-I172 VanDerWaalsContact O-CG1 3.24Å; N169-I172 WeakPolarHBondContact O-CG1 3.22Å; N169-T173 WeakPolarHBondContact O-CB 3.4Å; N169-T173 PolarHBondContact O-N 2.95Å; N169-T173 PolarHBondContact O-OG1 3.48Å
170I93.9Very high93.9Very high13 Ų1347.7 Ų47.77%0.06723%0.227CC..Hα-helixtrans-71.3-30.2175-57.4-58.6000111.4F36 V39 I40 V162 K167 D168 T173 L174F36-I170 HydrophobicContact CD2-CD1 4.07Å; F36-I170 HydrophobicContact CE2-CD1 4.09Å; V39-I170 HydrophobicContact CG1-CG1 4.39Å; V39-I170 HydrophobicContact CG1-CG2 4.3Å; I40-I170 HydrophobicContact CG2-CG2 3.85Å; V162-I170 HydrophobicContact CB-CD1 4.38Å; K167-I170 HydrophobicContact CB-CG1 4.41Å; D168-I170 PolarHBondContact O-N 2.83Å; D168-I170 VanDerWaalsContact O-N 3.12Å; I170-T173 WeakPolarHBondContact O-CB 3.22Å; I170-L174 HydrophobicContact CG2-CD1 4.22Å; I170-L174 VanDerWaalsContact O-CG 3.31Å; I170-L174 WeakPolarHBondContact O-CG 3.45Å; I170-L174 PolarHBondContact O-N 2.77Å
171D90.9Very high93.1Very high88 Ų8845.8 Ų45.847%0.47122%0.221SC..Hα-helixtrans-65.8-50.5176.660.6-24.7000112.6N169 T173 L174 Q175N169-D171 VanDerWaalsContact C-N 3.31Å; D171-T173 VanDerWaalsContact C-N 3.26Å; D171-T173 PolarHBondContact O-N 3.46Å; D171-L174 PolarHBondContact O-N 2.95Å; D171-Q175 WeakPolarHBondContact O-CG 3.43Å; D171-Q175 PolarHBondContact O-N 2.87Å
172I94.2Very high91.7Very high48 Ų4852.6 Ų52.625%0.24625%0.25CC..Hα-helixtrans-65.3-32.5176.964.4169.1000111.7Y160 N169 Q175 W176Y160-I172 HydrophobicContact CD1-CD1 4.14Å; Y160-I172 HydrophobicContact CD2-CD1 4.13Å; Y160-I172 HydrophobicContact CD2-CG1 4.18Å; Y160-I172 HydrophobicContact CE1-CD1 4.34Å; Y160-I172 HydrophobicContact CE2-CD1 4.31Å; Y160-I172 HydrophobicContact CE2-CG1 4.27Å; Y160-I172 HydrophobicContact CG-CD1 4.07Å; N169-I172 HydrophobicContact CB-CD1 3.79Å; N169-I172 HydrophobicContact CB-CG1 3.83Å; N169-I172 VanDerWaalsContact O-CG1 3.24Å; N169-I172 WeakPolarHBondContact O-CG1 3.22Å; I172-Q175 PolarHBondContact O-N 2.84Å; I172-W176 PolarHBondContact O-N 2.99Å
173T94.7Very high89.5Confident0 Ų060.9 Ų60.90%031%0.308CS..Hα-helixtrans-61.7-48173-63.10000110.6F36 L126 L128 N169 I170 D171 Q175 W176 L177F36-T173 HydrophobicContact CE2-CG2 3.81Å; F36-T173 HydrophobicContact CZ-CG2 3.65Å; L126-T173 HydrophobicContact CD2-CG2 3.9Å; L128-T173 HydrophobicContact CD1-CG2 3.78Å; L128-T173 HydrophobicContact CD2-CG2 4.03Å; N169-T173 WeakPolarHBondContact O-CB 3.4Å; N169-T173 PolarHBondContact O-N 2.95Å; N169-T173 PolarHBondContact O-OG1 3.48Å; I170-T173 WeakPolarHBondContact O-CB 3.22Å; D171-T173 VanDerWaalsContact C-N 3.26Å; D171-T173 PolarHBondContact O-N 3.46Å; T173-Q175 VanDerWaalsContact C-N 3.34Å; T173-Q175 PolarHBondContact O-N 3.34Å; T173-W176 PolarHBondContact O-N 3.32Å; T173-L177 HydrophobicContact CG2-CD1 4.45Å; T173-L177 WeakPolarHBondContact O-CG 3.41Å; T173-L177 PolarHBondContact O-N 2.85Å; T173-L177 VanDerWaalsContact O-N 3.1Å
174L91.1Very high89.1Confident11 Ų1163.9 Ų63.96%0.05832%0.323CS..Hα-helixtrans-67.1-35177.6-71.5169.7000112.2I40 K62 I67 I170 D171 L177 I178I40-L174 HydrophobicContact CB-CD2 4.32Å; I40-L174 HydrophobicContact CG2-CD1 4.22Å; I40-L174 HydrophobicContact CG2-CD2 4.05Å; I40-L174 HydrophobicContact CG2-CG 4.34Å; K62-L174 HydrophobicContact CD-CD1 3.89Å; I67-L174 HydrophobicContact CD1-CD2 4.49Å; I170-L174 HydrophobicContact CG2-CD1 4.22Å; I170-L174 VanDerWaalsContact O-CG 3.31Å; I170-L174 WeakPolarHBondContact O-CG 3.45Å; I170-L174 PolarHBondContact O-N 2.77Å; D171-L174 PolarHBondContact O-N 2.95Å; L174-L177 HydrophobicContact CD2-CD1 4.5Å; L174-L177 PolarHBondContact O-N 3.19Å; L174-I178 WeakPolarHBondContact O-CB 3.16Å; L174-I178 WeakPolarHBondContact O-CD1 3.12Å; L174-I178 WeakPolarHBondContact O-CG1 3.42Å; L174-I178 PolarHBondContact O-N 2.91Å
175Q90.8Very high88.8Confident125 Ų12567.1 Ų67.158%0.58434%0.339SS*.Hα-helixtrans-62.9-46.1174.6-72.9172.74.700111.6D171 I172 T173 L177 I178 Q179D171-Q175 WeakPolarHBondContact O-CG 3.43Å; D171-Q175 PolarHBondContact O-N 2.87Å; I172-Q175 PolarHBondContact O-N 2.84Å; T173-Q175 VanDerWaalsContact C-N 3.34Å; T173-Q175 PolarHBondContact O-N 3.34Å; Q175-L177 VanDerWaalsContact C-N 3.32Å; Q175-L177 PolarHBondContact O-N 3.12Å; Q175-I178 PolarHBondContact O-N 2.65Å; Q175-Q179 PolarHBondContact O-N 3.13Å
176W93.8Very high88.5Confident13 Ų1365.7 Ų65.75%0.04934%0.336CS..Hα-helixtrans-59.4-44.9176.3-172.693.6000110.9A91 P124 L126 E156 C158 Y160 I172 T173 I178 Q179 H180A91-W176 HydrophobicContact CB-CH2 4.13Å; A91-W176 HydrophobicContact CB-CZ3 3.81Å; P124-W176 HydrophobicContact CB-CH2 3.79Å; P124-W176 HydrophobicContact CB-CZ2 4.18Å; L126-W176 HydrophobicContact CB-CD2 4.32Å; L126-W176 HydrophobicContact CB-CE3 3.84Å; L126-W176 HydrophobicContact CB-CH2 3.93Å; L126-W176 HydrophobicContact CB-CZ2 4.4Å; L126-W176 HydrophobicContact CB-CZ3 3.63Å; L126-W176 HydrophobicContact CD1-CD2 4.21Å; L126-W176 HydrophobicContact CD1-CE3 4.46Å; L126-W176 HydrophobicContact CD1-CG 4.45Å; L126-W176 HydrophobicContact CD2-CD2 4.13Å; L126-W176 HydrophobicContact CD2-CE3 3.71Å; L126-W176 HydrophobicContact CD2-CZ3 4.3Å; L126-W176 HydrophobicContact CG-CD2 4.46Å; L126-W176 HydrophobicContact CG-CE3 4.22Å; L126-W176 HydrophobicContact CG-CZ3 4.5Å; E156-W176 PolarHBondContact OE1-NE1 3.3Å; C158-W176 HydrophobicContact CB-CZ2 4.47Å; Y160-W176 HydrophobicContact CE2-CB 4.12Å; Y160-W176 HydrophobicContact CE2-CG 4.49Å; I172-W176 PolarHBondContact O-N 2.99Å; T173-W176 PolarHBondContact O-N 3.32Å; W176-I178 PolarHBondContact O-N 3.11Å; W176-Q179 PolarHBondContact O-N 2.92Å; W176-H180 AromaticContact CD1-CE1 3.92Å; W176-H180 AromaticContact CD2-CE1 3.73Å; W176-H180 AromaticContact CD2-ND1 3.58Å; W176-H180 AromaticContact CE2-CE1 3.22Å; W176-H180 AromaticContact CE2-ND1 3.56Å; W176-H180 AromaticContact CE2-NE2 3.91Å; W176-H180 AromaticContact CE3-ND1 3.81Å; W176-H180 AromaticContact CZ2-CE1 3.44Å; W176-H180 VanDerWaalsContact CZ2-CE1 3.44Å; W176-H180 WeakPolarHBondContact CZ2-CE1 3.28Å; W176-H180 AromaticContact CZ2-ND1 3.8Å; W176-H180 AromaticContact CZ2-NE2 3.66Å; W176-H180 AromaticContact NE1-CE1 3.34Å; W176-H180 PolarHBondContact NE1-CE1 2.92Å; W176-H180 VanDerWaalsContact NE1-CE1 3.34Å; W176-H180 AromaticContact NE1-ND1 3.97Å; W176-H180 PolarHBondContact O-N 2.84Å; W176-H180 PolarHBondContact O-ND1 2.89Å
177L91.8Very high88.2Confident1 Ų162.4 Ų62.41%0.00532%0.322CS..Hα-helixtrans-61.6-45177.4-69.9174000112.8M21 L23 A91 V93 T173 L174 Q175 Q179 H180 S181M21-L177 HydrophobicContact CE-CB 4.49Å; M21-L177 HydrophobicContact CE-CD2 4.12Å; M21-L177 VanDerWaalsContact CE-O 3.31Å; M21-L177 WeakPolarHBondContact CE-O 3.42Å; M21-L177 HydrophobicContact SD-CB 4.27Å; L23-L177 HydrophobicContact CD2-CD1 3.71Å; L23-L177 HydrophobicContact CD2-CD2 3.56Å; L23-L177 HydrophobicContact CD2-CG 4.18Å; A91-L177 HydrophobicContact CB-CD2 4.44Å; V93-L177 HydrophobicContact CG2-CD2 3.89Å; T173-L177 HydrophobicContact CG2-CD1 4.45Å; T173-L177 WeakPolarHBondContact O-CG 3.41Å; T173-L177 PolarHBondContact O-N 2.85Å; T173-L177 VanDerWaalsContact O-N 3.1Å; L174-L177 HydrophobicContact CD2-CD1 4.5Å; L174-L177 PolarHBondContact O-N 3.19Å; Q175-L177 VanDerWaalsContact C-N 3.32Å; Q175-L177 PolarHBondContact O-N 3.12Å; L177-Q179 VanDerWaalsContact C-N 3.28Å; L177-Q179 PolarHBondContact O-N 3.06Å; L177-H180 CarbonylContact O-C 3.43Å; L177-H180 PolarHBondContact O-N 2.66Å; L177-H180 VanDerWaalsContact O-N 3.07Å; L177-S181 PolarHBondContact O-N 3.44Å; L177-S181 VanDerWaalsContact O-N 3.16Å
178I88.4Confident87.8Confident53 Ų5359.4 Ų59.427%0.27231%0.312SS..Hα-helixtrans-64.8-33178.1-70.1164.5000111.5V65 L174 Q175 W176 H180 S181V65-I178 HydrophobicContact CB-CG1 4.47Å; V65-I178 HydrophobicContact CG2-CG1 4.24Å; V65-I178 HydrophobicContact CG2-CG2 4.06Å; L174-I178 WeakPolarHBondContact O-CB 3.16Å; L174-I178 WeakPolarHBondContact O-CD1 3.12Å; L174-I178 WeakPolarHBondContact O-CG1 3.42Å; L174-I178 PolarHBondContact O-N 2.91Å; Q175-I178 PolarHBondContact O-N 2.65Å; W176-I178 PolarHBondContact O-N 3.11Å; I178-H180 PolarHBondContact O-N 3.42Å; I178-S181 PolarHBondContact O-N 3.47Å; I178-S181 PolarHBondContact O-OG 3.11Å
179Q89.4Confident87.2Confident145 Ų14559.4 Ų59.468%0.67831%0.312SS*.Hα-helixtrans-65-29.7174.7-175.3174.3-10.400112Q175 W176 L177Q175-Q179 PolarHBondContact O-N 3.13Å; W176-Q179 PolarHBondContact O-N 2.92Å; L177-Q179 VanDerWaalsContact C-N 3.28Å; L177-Q179 PolarHBondContact O-N 3.06Å
180H90.3Very high86.6Confident23 Ų2360.9 Ų60.911%0.10632%0.319CS..THydrogen-bonded Turntrans-94.74.8-179.8-67.181.6000113.7M21 E156 W176 L177 I178M21-H180 HydrophobicContact CE-CB 3.95Å; E156-H180 IonicContact OE1-CE1 3.75Å; E156-H180 PolarHBondContact OE1-CE1 3.34Å; E156-H180 IonicContact OE1-NE2 3.25Å; E156-H180 PolarHBondContact OE1-NE2 3.1Å; E156-H180 IonicContact OE2-NE2 3.21Å; E156-H180 PolarHBondContact OE2-NE2 2.86Å; W176-H180 AromaticContact CD1-CE1 3.92Å; W176-H180 AromaticContact CD2-CE1 3.73Å; W176-H180 AromaticContact CD2-ND1 3.58Å; W176-H180 AromaticContact CE2-CE1 3.22Å; W176-H180 AromaticContact CE2-ND1 3.56Å; W176-H180 AromaticContact CE2-NE2 3.91Å; W176-H180 AromaticContact CE3-ND1 3.81Å; W176-H180 AromaticContact CZ2-CE1 3.44Å; W176-H180 VanDerWaalsContact CZ2-CE1 3.44Å; W176-H180 WeakPolarHBondContact CZ2-CE1 3.28Å; W176-H180 AromaticContact CZ2-ND1 3.8Å; W176-H180 AromaticContact CZ2-NE2 3.66Å; W176-H180 AromaticContact NE1-CE1 3.34Å; W176-H180 PolarHBondContact NE1-CE1 2.92Å; W176-H180 VanDerWaalsContact NE1-CE1 3.34Å; W176-H180 AromaticContact NE1-ND1 3.97Å; W176-H180 PolarHBondContact O-N 2.84Å; W176-H180 PolarHBondContact O-ND1 2.89Å; L177-H180 CarbonylContact O-C 3.43Å; L177-H180 PolarHBondContact O-N 2.66Å; L177-H180 VanDerWaalsContact O-N 3.07Å; I178-H180 PolarHBondContact O-N 3.42Å
181S82.6Confident86Confident9 Ų964.5 Ų64.56%0.06334%0.338CS..THydrogen-bonded Turntrans-73-20171.862.50000112.8E19 L177 I178E19-S181 PolarHBondContact OE2-OG 3.35Å; L177-S181 PolarHBondContact O-N 3.44Å; L177-S181 VanDerWaalsContact O-N 3.16Å; I178-S181 PolarHBondContact O-N 3.47Å; I178-S181 PolarHBondContact O-OG 3.11Å
182K67.9Low85.6Confident148 Ų14862.6 Ų62.664%0.64333%0.327SS*.  trans-94.498.5-177.9-59.3-177.8-172.5-167.10109.5E19E19-K182 WeakPolarHBondContact OE1-CE 3.49Å; E19-K182 IonicContact OE1-NZ 3.88Å; E19-K182 VanDerWaalsContact OE2-CG 3.31Å; E19-K182 WeakPolarHBondContact OE2-CG 3.31Å
183S52.2Low84.8Confident175 Ų17563.9 Ų63.9100%1.22434%0.335SS*.  trans-132.10162.8-72.60000109.3

Retrieved 183 of 183 residues in 551.2 ms (Link to these results)

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