A0A087Y8C2_POEFO Loading...

Chromosome 17 open reading frame 58

AlphaFold DB , UniProt , Accession A0A087Y8C2, Species POEFO (Poecilia formosa, Amazon molly), Gene C17orf58, Length 180 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

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
1L50.9Low59.5Low190 Ų190117.9 Ų117.9100%0.99563%0.627SS**  0-40.70-74.7156.3000114.5
2P57.5Low60.1Low104 Ų104118.1 Ų118.168%0.67563%0.627SS**Hα-helixtrans-70.3-35.6-175.523-30.1000115.4Y4 L5 E6P2-Y4 VanDerWaalsContact C-N 3.3Å; P2-Y4 PolarHBondContact O-N 3.25Å; P2-L5 PolarHBondContact O-N 3.38Å; P2-E6 PolarHBondContact O-N 3.41Å
3C51.3Low60.2Low87 Ų87117.6 Ų117.659%0.58862%0.624SS**Hα-helixtrans-66.5-23-179.2-66.60000115.4K7C3-K7 WeakPolarHBondContact O-CG 3.49Å; C3-K7 PolarHBondContact O-N 3.25Å
4Y50.9Low60.4Low199 Ų199119.4 Ų119.478%0.7862%0.623SS**Hα-helixtrans-76-38.7180-94.8-88.8000111.9P2 A8P2-Y4 VanDerWaalsContact C-N 3.3Å; P2-Y4 PolarHBondContact O-N 3.25Å; Y4-A8 WeakPolarHBondContact O-CB 3.49Å; Y4-A8 PolarHBondContact O-N 3.49Å
5L56.2Low60.7Low135 Ų135117.9 Ų117.971%0.70762%0.615SS**Hα-helixtrans-66.4-38.6175.4-84.9153.8000111.5P2 A8 A9P2-L5 PolarHBondContact O-N 3.38Å; L5-A8 PolarHBondContact O-N 3.07Å; L5-A9 PolarHBondContact O-N 3.46Å
6E57.9Low60.9Low133 Ų133114.6 Ų114.662%0.62161%0.605SS**Hα-helixtrans-67.4-42.5178.8-158.8173.3-173.500112.2P2 A8 A9 Q10P2-E6 PolarHBondContact O-N 3.41Å; E6-A8 PolarHBondContact O-N 3.5Å; E6-A9 PolarHBondContact O-N 3.39Å; E6-Q10 PolarHBondContact O-N 3Å; E6-Q10 VanDerWaalsContact O-N 3.07Å
7K61.3Low61.1Low149 Ų149112.3 Ų112.365%0.64860%0.601SS**Hα-helixtrans-64.6-37.7173.4-77.8-176.2176.9-177.30112.9C3 Q10 T11C3-K7 WeakPolarHBondContact O-CG 3.49Å; C3-K7 PolarHBondContact O-N 3.25Å; K7-Q10 PolarHBondContact O-N 3.37Å; K7-T11 WeakPolarHBondContact O-CB 3.44Å; K7-T11 PolarHBondContact O-N 3.07Å; K7-T11 VanDerWaalsContact O-N 3.09Å; K7-T11 PolarHBondContact O-OG1 3.27Å
8A67.3Low61.5Low49 Ų49112.8 Ų112.841%0.40560%0.599SS.*Hα-helixtrans-65.4-43.8176.500000111.6Y4 L5 E6 Q10 T11 L12Y4-A8 WeakPolarHBondContact O-CB 3.49Å; Y4-A8 PolarHBondContact O-N 3.49Å; L5-A8 PolarHBondContact O-N 3.07Å; E6-A8 PolarHBondContact O-N 3.5Å; A8-Q10 PolarHBondContact O-N 2.73Å; A8-T11 PolarHBondContact O-N 3.23Å; A8-L12 PolarHBondContact O-N 3.03Å
9A68.6Low61.5Low51 Ų51109.2 Ų109.242%0.42159%0.587SS.*Hα-helixtrans-61.7-42.1176.500000112.4L5 E6 T11 L12 L13L5-A9 PolarHBondContact O-N 3.46Å; E6-A9 PolarHBondContact O-N 3.39Å; A9-T11 VanDerWaalsContact C-N 3.32Å; A9-T11 PolarHBondContact O-N 3.49Å; A9-L12 PolarHBondContact O-N 3.09Å; A9-L13 PolarHBondContact O-N 3.04Å
10Q65.4Low61.4Low120 Ų120106.5 Ų106.556%0.56158%0.581SS**Hα-helixtrans-68.3-31.3178.7-133.1162.430.600113E6 K7 A8 K14E6-Q10 PolarHBondContact O-N 3Å; E6-Q10 VanDerWaalsContact O-N 3.07Å; K7-Q10 PolarHBondContact O-N 3.37Å; A8-Q10 PolarHBondContact O-N 2.73Å; Q10-K14 WeakPolarHBondContact O-CG 3.27Å; Q10-K14 PolarHBondContact O-N 3.09Å
11T67.6Low61.2Low80 Ų80108.3 Ų108.349%0.49158%0.583SS.*Hα-helixtrans-73.1-41.3175.9-51.70000111.1K7 A8 A9 K14 L15K7-T11 WeakPolarHBondContact O-CB 3.44Å; K7-T11 PolarHBondContact O-N 3.07Å; K7-T11 VanDerWaalsContact O-N 3.09Å; K7-T11 PolarHBondContact O-OG1 3.27Å; A8-T11 PolarHBondContact O-N 3.23Å; A9-T11 VanDerWaalsContact C-N 3.32Å; A9-T11 PolarHBondContact O-N 3.49Å; T11-K14 PolarHBondContact O-N 3.44Å; T11-L15 HydrophobicContact CG2-CD1 4.04Å; T11-L15 WeakPolarHBondContact O-CD1 3.36Å; T11-L15 WeakPolarHBondContact O-CG 3.48Å; T11-L15 PolarHBondContact O-N 2.79Å
12L66.8Low61.6Low120 Ų120104.6 Ų104.663%0.62856%0.564SS**Hα-helixtrans-63.7-40.1175.1-78.1165000112.8A8 A9 K14 L15 S16A8-L12 PolarHBondContact O-N 3.03Å; A9-L12 PolarHBondContact O-N 3.09Å; L12-K14 VanDerWaalsContact C-N 3.34Å; L12-K14 PolarHBondContact O-N 3.28Å; L12-L15 PolarHBondContact O-N 2.93Å; L12-S16 WeakPolarHBondContact O-CB 3.32Å; L12-S16 PolarHBondContact O-N 3.33Å; L12-S16 PolarHBondContact O-OG 3.41Å
13L61.2Low61.3Low112 Ų112106.8 Ų106.859%0.58656%0.563SS**Hα-helixtrans-63.8-36.4173.9-86.1157000113A9 S16 S17A9-L13 PolarHBondContact O-N 3.04Å; L13-S16 PolarHBondContact O-OG 3.38Å; L13-S17 WeakPolarHBondContact O-CB 3.5Å; L13-S17 PolarHBondContact O-N 3.02Å; L13-S17 VanDerWaalsContact O-N 3.09Å; L13-S17 PolarHBondContact O-OG 3.4Å
14K62.8Low61.6Low142 Ų142105.5 Ų105.562%0.61756%0.555SS**Hα-helixtrans-69.4-42.6174.8-79.8178.6178.6178.50111.8Q10 T11 L12 S17 Q18Q10-K14 WeakPolarHBondContact O-CG 3.27Å; Q10-K14 PolarHBondContact O-N 3.09Å; T11-K14 PolarHBondContact O-N 3.44Å; L12-K14 VanDerWaalsContact C-N 3.34Å; L12-K14 PolarHBondContact O-N 3.28Å; K14-S17 PolarHBondContact O-N 2.93Å; K14-Q18 WeakPolarHBondContact O-CB 3.45Å; K14-Q18 WeakPolarHBondContact O-CG 3.33Å; K14-Q18 PolarHBondContact O-N 2.89Å
15L65.2Low61.9Low97 Ų9798.9 Ų98.951%0.50854%0.535SS..Hα-helixtrans-65.4-40.9177.2-76.7158.2000111.9T11 L12 Q18 A19T11-L15 HydrophobicContact CG2-CD1 4.04Å; T11-L15 WeakPolarHBondContact O-CD1 3.36Å; T11-L15 WeakPolarHBondContact O-CG 3.48Å; T11-L15 PolarHBondContact O-N 2.79Å; L12-L15 PolarHBondContact O-N 2.93Å; L15-Q18 PolarHBondContact O-N 3.42Å; L15-A19 WeakPolarHBondContact O-CB 3.36Å; L15-A19 PolarHBondContact O-N 2.98Å
16S64.4Low62.1Low65 Ų6598.7 Ų98.746%0.45553%0.53SS..Hα-helixtrans-66.2-38.7175.771.30000112.2L12 L13 A20L12-S16 WeakPolarHBondContact O-CB 3.32Å; L12-S16 PolarHBondContact O-N 3.33Å; L12-S16 PolarHBondContact O-OG 3.41Å; L13-S16 PolarHBondContact O-OG 3.38Å; S16-A20 VanDerWaalsContact O-CB 3.27Å; S16-A20 WeakPolarHBondContact O-CB 3.45Å; S16-A20 PolarHBondContact O-N 2.91Å
17S64.4Low62.3Low76 Ų7695.3 Ų95.353%0.53152%0.522SS..Hα-helixtrans-67.3-39.5175.7-59.90000112.3L13 K14 F21L13-S17 WeakPolarHBondContact O-CB 3.5Å; L13-S17 PolarHBondContact O-N 3.02Å; L13-S17 VanDerWaalsContact O-N 3.09Å; L13-S17 PolarHBondContact O-OG 3.4Å; K14-S17 PolarHBondContact O-N 2.93Å; S17-F21 WeakPolarHBondContact O-CB 3.36Å; S17-F21 PolarHBondContact O-N 2.93Å
18Q67.2Low62.4Low121 Ų12193.1 Ų93.157%0.56552%0.517SS*.Hα-helixtrans-68-42.1175.6-76.3175.2-5.900112.1K14 L15 F21 L22K14-Q18 WeakPolarHBondContact O-CB 3.45Å; K14-Q18 WeakPolarHBondContact O-CG 3.33Å; K14-Q18 PolarHBondContact O-N 2.89Å; L15-Q18 PolarHBondContact O-N 3.42Å; Q18-F21 PolarHBondContact O-N 2.9Å; Q18-L22 PolarHBondContact O-N 3.37Å
19A61.4Low62.2Low45 Ų4599.4 Ų99.437%0.37253%0.532SS..Hα-helixtrans-64-44.1174.700000111.4L15 F21 L22 F23L15-A19 WeakPolarHBondContact O-CB 3.36Å; L15-A19 PolarHBondContact O-N 2.98Å; A19-F21 VanDerWaalsContact C-N 3.31Å; A19-F21 PolarHBondContact O-N 3.04Å; A19-L22 PolarHBondContact O-N 3.38Å; A19-F23 WeakPolarHBondContact O-CD2 3.49Å; A19-F23 PolarHBondContact O-N 3.27Å
20A60.7Low62.5Low55 Ų55101.1 Ų101.146%0.45554%0.537SS..Hα-helixtrans-61.3-39.2174.700000112.1S16 S24S16-A20 VanDerWaalsContact O-CB 3.27Å; S16-A20 WeakPolarHBondContact O-CB 3.45Å; S16-A20 PolarHBondContact O-N 2.91Å; A20-S24 VanDerWaalsContact O-CB 3.27Å; A20-S24 WeakPolarHBondContact O-CB 3.38Å; A20-S24 PolarHBondContact O-N 3.05Å; A20-S24 PolarHBondContact O-OG 3.38Å
21F57Low63.1Low145 Ų14599.7 Ų99.764%0.63653%0.53SS*.Hα-helixtrans-64-47.3174.8-175.6-99.7000112S17 Q18 A19 S24 T25S17-F21 WeakPolarHBondContact O-CB 3.36Å; S17-F21 PolarHBondContact O-N 2.93Å; Q18-F21 PolarHBondContact O-N 2.9Å; A19-F21 VanDerWaalsContact C-N 3.31Å; A19-F21 PolarHBondContact O-N 3.04Å; F21-S24 PolarHBondContact O-N 2.76Å; F21-T25 HydrophobicContact CD1-CG2 4.32Å; F21-T25 HydrophobicContact CE1-CG2 4Å; F21-T25 HydrophobicContact CE2-CG2 4.45Å; F21-T25 HydrophobicContact CZ-CG2 4.07Å; F21-T25 WeakPolarHBondContact O-CG2 3.27Å; F21-T25 PolarHBondContact O-N 3.32Å; F21-T25 PolarHBondContact O-OG1 3.23Å
22L58.4Low63.7Low112 Ų11297.7 Ų97.759%0.58652%0.516SS*.Hα-helixtrans-59.9-49.8177.1-86.3151.9000112.2Q18 A19 S24 T25 E26Q18-L22 PolarHBondContact O-N 3.37Å; A19-L22 PolarHBondContact O-N 3.38Å; L22-S24 VanDerWaalsContact C-N 3.33Å; L22-S24 PolarHBondContact O-N 2.96Å; L22-T25 WeakPolarHBondContact CA-OG1 3.36Å; L22-T25 PolarHBondContact O-N 3.03Å; L22-T25 PolarHBondContact O-OG1 2.99Å; L22-E26 PolarHBondContact O-N 3.42Å
23F52.3Low64.3Low150 Ų15094.7 Ų94.766%0.65851%0.509SS*.Hα-helixtrans-61.6-39.9176.3-90.5-79.1000112.6A19 E26 S27A19-F23 WeakPolarHBondContact O-CD2 3.49Å; A19-F23 PolarHBondContact O-N 3.27Å; F23-E26 PolarHBondContact O-N 3.3Å; F23-S27 PolarHBondContact O-N 2.65Å; F23-S27 PolarHBondContact O-OG 2.91Å
24S56.2Low65.4Low60 Ų6095.1 Ų95.142%0.4251%0.506SS..Hα-helixtrans-62.3-45.3175.8-57.80000110.8A20 F21 L22 E26 S27 D28A20-S24 VanDerWaalsContact O-CB 3.27Å; A20-S24 WeakPolarHBondContact O-CB 3.38Å; A20-S24 PolarHBondContact O-N 3.05Å; A20-S24 PolarHBondContact O-OG 3.38Å; F21-S24 PolarHBondContact O-N 2.76Å; L22-S24 VanDerWaalsContact C-N 3.33Å; L22-S24 PolarHBondContact O-N 2.96Å; S24-E26 VanDerWaalsContact C-N 3.35Å; S24-E26 PolarHBondContact O-N 2.86Å; S24-S27 PolarHBondContact O-N 3.23Å; S24-S27 PolarHBondContact O-OG 3.42Å; S24-D28 WeakPolarHBondContact O-CB 3.44Å; S24-D28 VanDerWaalsContact O-CG 3.28Å; S24-D28 PolarHBondContact O-N 3.3Å
25T58.6Low66.4Low59 Ų5988.4 Ų88.436%0.36248%0.477SS..Hα-helixtrans-64.2-35.9178.853.30000113.5F21 L22 D28 Y29F21-T25 HydrophobicContact CD1-CG2 4.32Å; F21-T25 HydrophobicContact CE1-CG2 4Å; F21-T25 HydrophobicContact CE2-CG2 4.45Å; F21-T25 HydrophobicContact CZ-CG2 4.07Å; F21-T25 WeakPolarHBondContact O-CG2 3.27Å; F21-T25 PolarHBondContact O-N 3.32Å; F21-T25 PolarHBondContact O-OG1 3.23Å; L22-T25 WeakPolarHBondContact CA-OG1 3.36Å; L22-T25 PolarHBondContact O-N 3.03Å; L22-T25 PolarHBondContact O-OG1 2.99Å; T25-D28 PolarHBondContact O-N 2.94Å; T25-Y29 WeakPolarHBondContact O-CB 3.32Å; T25-Y29 PolarHBondContact O-N 3.02Å
26E59.8Low67.2Low131 Ų13185.2 Ų85.261%0.61246%0.46SS*.Hα-helixtrans-69.3-41176.2-127.6179.3175.500111.6L22 F23 S24 Y29 T30L22-E26 PolarHBondContact O-N 3.42Å; F23-E26 PolarHBondContact O-N 3.3Å; S24-E26 VanDerWaalsContact C-N 3.35Å; S24-E26 PolarHBondContact O-N 2.86Å; E26-Y29 PolarHBondContact O-N 2.7Å; E26-T30 WeakPolarHBondContact O-CG2 3.38Å; E26-T30 PolarHBondContact O-N 3.09Å; E26-T30 PolarHBondContact O-OG1 3.48Å
27S61.9Low68.2Low63 Ų6385.2 Ų85.244%0.44146%0.46SS..Hα-helixtrans-66.8-37.4173.767.10000113F23 S24 T30 H31F23-S27 PolarHBondContact O-N 2.65Å; F23-S27 PolarHBondContact O-OG 2.91Å; S24-S27 PolarHBondContact O-N 3.23Å; S24-S27 PolarHBondContact O-OG 3.42Å; S27-T30 WeakPolarHBondContact CA-OG1 3.41Å; S27-T30 PolarHBondContact O-OG1 3.3Å; S27-H31 WeakPolarHBondContact O-CB 3.46Å; S27-H31 PolarHBondContact O-N 3.18Å
28D62.1Low69.3Low103 Ų10384.1 Ų84.155%0.55145%0.447SS*.Hα-helixtrans-69-37.8177.4-76.2-24.4000111.2S24 T25 D32S24-D28 WeakPolarHBondContact O-CB 3.44Å; S24-D28 VanDerWaalsContact O-CG 3.28Å; S24-D28 PolarHBondContact O-N 3.3Å; T25-D28 PolarHBondContact O-N 2.94Å; D28-D32 WeakPolarHBondContact O-CB 3.17Å; D28-D32 PolarHBondContact O-N 2.94Å
29Y63.8Low70.2Confident181 Ų18179.3 Ų79.371%0.7143%0.426SS*.Hα-helixtrans-68.1-44.2177-172.3-95.7000112.1T25 E26 D32 A33T25-Y29 WeakPolarHBondContact O-CB 3.32Å; T25-Y29 PolarHBondContact O-N 3.02Å; E26-Y29 PolarHBondContact O-N 2.7Å; Y29-D32 PolarHBondContact O-N 2.86Å; Y29-A33 WeakPolarHBondContact O-CB 3.27Å; Y29-A33 PolarHBondContact O-N 3.49Å
30T74.4Confident71.4Confident87 Ų8784.4 Ų84.453%0.53444%0.436SS..Hα-helixtrans-66.3-40.3177.151.10000111.8E26 S27 F34E26-T30 WeakPolarHBondContact O-CG2 3.38Å; E26-T30 PolarHBondContact O-N 3.09Å; E26-T30 PolarHBondContact O-OG1 3.48Å; S27-T30 WeakPolarHBondContact CA-OG1 3.41Å; S27-T30 PolarHBondContact O-OG1 3.3Å; T30-F34 PolarHBondContact O-N 2.77Å; T30-F34 VanDerWaalsContact O-N 3.12Å
31H79.4Confident72.8Confident90 Ų9087 Ų8742%0.41744%0.436SS..Hα-helixtrans-62.1-45172.6175.7-92.9000111.8S27 F34 C35 F107S27-H31 WeakPolarHBondContact O-CB 3.46Å; S27-H31 PolarHBondContact O-N 3.18Å; H31-F34 PolarHBondContact O-N 3.42Å; H31-C35 WeakPolarHBondContact O-CB 3.45Å; H31-C35 PolarHBondContact O-N 3.08Å; H31-F107 PolarHBondContact CE1-O 2.94Å; H31-F107 PolarHBondContact NE2-O 2.83Å
32D79Confident74.3Confident37 Ų3785.4 Ų85.420%0.19843%0.431CS..Hα-helixtrans-66.6-39.7-179.8-165.351.8000112.4D28 Y29 F34 C35 M36 S110D28-D32 WeakPolarHBondContact O-CB 3.17Å; D28-D32 PolarHBondContact O-N 2.94Å; Y29-D32 PolarHBondContact O-N 2.86Å; D32-F34 VanDerWaalsContact C-N 3.34Å; D32-F34 PolarHBondContact O-N 3.33Å; D32-C35 WeakPolarHBondContact O-CB 2.89Å; D32-C35 PolarHBondContact O-N 3.19Å; D32-M36 WeakPolarHBondContact O-CB 3.44Å; D32-M36 VanDerWaalsContact O-CG 3.23Å; D32-M36 WeakPolarHBondContact O-CG 3.47Å; D32-M36 PolarHBondContact O-N 3.22Å; D32-S110 VanDerWaalsContact OD1-CB 3.24Å; D32-S110 WeakPolarHBondContact OD1-CB 3.3Å; D32-S110 PolarHBondContact OD1-N 2.82Å; D32-S110 PolarHBondContact OD1-OG 3.26Å; D32-S110 WeakPolarHBondContact OD2-CB 3.46Å; D32-S110 PolarHBondContact OD2-OG 3.36Å
33A80.7Confident75.9Confident57 Ų5780.9 Ų80.947%0.47141%0.407SS..Hα-helixtrans-60.2-44.317500000111.7Y29 S37Y29-A33 WeakPolarHBondContact O-CB 3.27Å; Y29-A33 PolarHBondContact O-N 3.49Å; A33-S37 WeakPolarHBondContact O-CB 3.33Å; A33-S37 PolarHBondContact O-N 2.89Å; A33-S37 VanDerWaalsContact O-N 3.09Å; A33-S37 PolarHBondContact O-OG 2.82Å
34F82.8Confident77.8Confident122 Ų12277.6 Ų77.654%0.53540%0.396SS..Hα-helixtrans-64.7-45.4174.4176.6-95.7000112.1T30 H31 D32 M36 S37 E38T30-F34 PolarHBondContact O-N 2.77Å; T30-F34 VanDerWaalsContact O-N 3.12Å; H31-F34 PolarHBondContact O-N 3.42Å; D32-F34 VanDerWaalsContact C-N 3.34Å; D32-F34 PolarHBondContact O-N 3.33Å; F34-M36 VanDerWaalsContact C-N 3.32Å; F34-M36 PolarHBondContact O-N 3.04Å; F34-S37 PolarHBondContact O-N 2.69Å; F34-S37 PolarHBondContact O-OG 3.05Å; F34-E38 HydrophobicContact CE1-CG 4.06Å; F34-E38 HydrophobicContact CE2-CG 3.98Å; F34-E38 HydrophobicContact CZ-CG 3.72Å; F34-E38 PolarHBondContact O-N 3.49Å
35C84.3Confident79.6Confident1 Ų174.9 Ų74.91%0.00738%0.377CS..Hα-helixtrans-57-47.4179.2-168.40000111.6H31 D32 C39 F107 C109H31-C35 WeakPolarHBondContact O-CB 3.45Å; H31-C35 PolarHBondContact O-N 3.08Å; D32-C35 WeakPolarHBondContact O-CB 2.89Å; D32-C35 PolarHBondContact O-N 3.19Å; C35-C39 WeakPolarHBondContact O-CB 3.13Å; C35-C39 PolarHBondContact O-N 2.91Å; C35-F107 HydrophobicContact CB-CB 4.32Å; C35-F107 VanDerWaalsContact SG-C 3.52Å; C35-F107 WeakPolarHBondContact SG-CB 3.46Å; C35-F107 PolarHBondContact SG-O 2.79Å; C35-C109 HydrophobicContact CB-CB 4.09Å; C35-C109 WeakPolarHBondContact CB-SG 3.15Å; C35-C109 WeakPolarHBondContact SG-CA 3.14Å; C35-C109 WeakPolarHBondContact SG-CB 3.18Å; C35-C109 PolarHBondContact SG-N 3.02Å; C35-C109 CovalentContact SG-SG 2Å; C35-C109 PolarHBondContact SG-SG 2.51Å
36M82.3Confident81.3Confident29 Ų2977.4 Ų77.414%0.14338%0.38CS..Hα-helixtrans-69.4-34.1-179.5-71.2-61.9-64.700112.8D32 F34 R40 C109 K111D32-M36 WeakPolarHBondContact O-CB 3.44Å; D32-M36 VanDerWaalsContact O-CG 3.23Å; D32-M36 WeakPolarHBondContact O-CG 3.47Å; D32-M36 PolarHBondContact O-N 3.22Å; F34-M36 VanDerWaalsContact C-N 3.32Å; F34-M36 PolarHBondContact O-N 3.04Å; M36-R40 VanDerWaalsContact CE-CZ 3.41Å; M36-R40 WeakPolarHBondContact O-CB 3.3Å; M36-R40 WeakPolarHBondContact O-CG 3.41Å; M36-R40 PolarHBondContact O-N 2.87Å; M36-C109 HydrophobicContact SD-CB 4.24Å; M36-K111 HydrophobicContact CE-CB 4.27Å; M36-K111 HydrophobicContact CE-CD 4.05Å; M36-K111 HydrophobicContact SD-CB 3.94Å
37S86.1Confident83Confident65 Ų6577.4 Ų77.446%0.45538%0.38SS..Hα-helixtrans-68.4-48.3176.772.70000111A33 F34 C39 R40 K41A33-S37 WeakPolarHBondContact O-CB 3.33Å; A33-S37 PolarHBondContact O-N 2.89Å; A33-S37 VanDerWaalsContact O-N 3.09Å; A33-S37 PolarHBondContact O-OG 2.82Å; F34-S37 PolarHBondContact O-N 2.69Å; F34-S37 PolarHBondContact O-OG 3.05Å; S37-C39 PolarHBondContact O-N 2.93Å; S37-R40 PolarHBondContact O-N 2.79Å; S37-K41 WeakPolarHBondContact O-CB 3.49Å; S37-K41 PolarHBondContact O-N 3.44Å
38E87.5Confident84.6Confident54 Ų5476.9 Ų76.925%0.25237%0.368SS..Hα-helixtrans-67.1-36.1178.5-75.2-60.3126.600112.6F34 R40 K41 F107F34-E38 HydrophobicContact CE1-CG 4.06Å; F34-E38 HydrophobicContact CE2-CG 3.98Å; F34-E38 HydrophobicContact CZ-CG 3.72Å; F34-E38 PolarHBondContact O-N 3.49Å; E38-R40 VanDerWaalsContact C-N 3.34Å; E38-R40 PolarHBondContact O-N 2.83Å; E38-K41 WeakPolarHBondContact O-CB 3.29Å; E38-K41 WeakPolarHBondContact OE1-CD 3.47Å; E38-K41 IonicContact OE1-NZ 3.76Å; E38-K41 PolarHBondContact OE1-NZ 3.39Å; E38-K41 IonicContact OE2-NZ 2.84Å; E38-K41 PolarHBondContact OE2-NZ 2.85Å; E38-F107 HydrophobicContact CB-CD2 4.49Å; E38-F107 HydrophobicContact CB-CE2 3.87Å; E38-F107 HydrophobicContact CB-CZ 4.23Å
39C85.4Confident86.2Confident20 Ų2073.1 Ų73.114%0.13535%0.347CS..Hα-helixtrans-62.1-41.3175.3-169.80000112.7C35 S37 C113C35-C39 WeakPolarHBondContact O-CB 3.13Å; C35-C39 PolarHBondContact O-N 2.91Å; S37-C39 PolarHBondContact O-N 2.93Å; C39-C113 HydrophobicContact CB-CB 3.92Å; C39-C113 WeakPolarHBondContact CB-SG 3.37Å; C39-C113 VanDerWaalsContact SG-CA 3.55Å; C39-C113 WeakPolarHBondContact SG-CB 3.48Å; C39-C113 CovalentContact SG-SG 2.01Å; C39-C113 PolarHBondContact SG-SG 3.39Å
40R86.4Confident87.6Confident152 Ų15266.5 Ų66.557%0.57433%0.326SS*.Hα-helixtrans-93.7-13.5-174-68.3179.1174.6-172.2-1.6113.6M36 S37 E38 E42 K161M36-R40 VanDerWaalsContact CE-CZ 3.41Å; M36-R40 WeakPolarHBondContact O-CB 3.3Å; M36-R40 WeakPolarHBondContact O-CG 3.41Å; M36-R40 PolarHBondContact O-N 2.87Å; S37-R40 PolarHBondContact O-N 2.79Å; E38-R40 VanDerWaalsContact C-N 3.34Å; E38-R40 PolarHBondContact O-N 2.83Å; R40-E42 PolarHBondContact O-N 2.77Å; R40-K161 PolarHBondContact O-NZ 3.33Å
41K89.8Confident88.5Confident108 Ų10870.3 Ų70.347%0.4733%0.332SS..SBendtrans-42.8135.8176.4-166.6172.3-173.3168.40111.9S37 E38 K161S37-K41 WeakPolarHBondContact O-CB 3.49Å; S37-K41 PolarHBondContact O-N 3.44Å; E38-K41 WeakPolarHBondContact O-CB 3.29Å; E38-K41 WeakPolarHBondContact OE1-CD 3.47Å; E38-K41 IonicContact OE1-NZ 3.76Å; E38-K41 PolarHBondContact OE1-NZ 3.39Å; E38-K41 IonicContact OE2-NZ 2.84Å; E38-K41 PolarHBondContact OE2-NZ 2.85Å; K41-K161 WeakPolarHBondContact O-CE 3.14Å; K41-K161 PolarHBondContact O-NZ 2.95Å
42E89.6Confident89.3Confident112 Ų11266.1 Ų66.152%0.52331%0.313SS..  trans-68.3139.7173.4-160.465.7175.900109.2R40 K161 R167R40-E42 PolarHBondContact O-N 2.77Å; E42-K161 IonicContact OE2-NZ 3.04Å; E42-K161 PolarHBondContact OE2-NZ 3.45Å; E42-R167 IonicContact OE1-CZ 2.89Å; E42-R167 IonicContact OE1-NE 3.65Å; E42-R167 PolarHBondContact OE1-NE 3.47Å; E42-R167 IonicContact OE1-NH2 3.94Å; E42-R167 PolarHBondContact OE1-NH2 3.34Å; E42-R167 IonicContact OE2-NH2 3.96Å; E42-R167 PolarHBondContact OE2-NH2 2.97Å; E42-R167 VanDerWaalsContact OE2-NH2 3.1Å
43K91.7Very high90.1Very high17 Ų1766.6 Ų66.67%0.07431%0.314CS..  trans-123.1139-173-68.4178.2-175.8-169.50107.4E45 Y48 S156 S157 N158 Y159K43-E45 PolarHBondContact O-N 2.95Å; K43-Y48 HydrophobicContact CB-CD2 3.82Å; K43-Y48 HydrophobicContact CB-CE2 3.6Å; K43-Y48 HydrophobicContact CD-CE1 4.03Å; K43-Y48 HydrophobicContact CD-CE2 3.92Å; K43-Y48 HydrophobicContact CG-CD2 4.42Å; K43-Y48 HydrophobicContact CG-CE2 3.76Å; K43-S156 PolarHBondContact NZ-O 2.81Å; K43-S157 PolarHBondContact NZ-O 2.63Å; K43-N158 PolarHBondContact NZ-O 3.23Å; K43-Y159 HydrophobicContact CB-CD2 3.59Å; K43-Y159 HydrophobicContact CB-CE2 3.83Å; K43-Y159 HydrophobicContact CD-CD2 4.43Å; K43-Y159 WeakPolarHBondContact O-CE2 3.47Å
44D92.6Very high90.9Very high81 Ų8163.9 Ų63.943%0.43329%0.291SS..  trans-72.5123.2176-174.5-81.8000110R46 E47 Y48D44-R46 VanDerWaalsContact C-N 3.27Å; D44-R46 PolarHBondContact O-N 3.16Å; D44-R46 WeakPolarHBondContact OD1-CA 3.41Å; D44-R46 VanDerWaalsContact OD1-CB 3.28Å; D44-R46 WeakPolarHBondContact OD1-CB 3.41Å; D44-R46 PolarHBondContact OD1-N 3.07Å; D44-E47 HydrophobicContact CB-CB 4.06Å; D44-E47 PolarHBondContact OD1-N 3.41Å; D44-Y48 WeakPolarHBondContact O-CD2 3.02Å; D44-Y48 PolarHBondContact O-N 3.1Å
45E94.4Very high91.6Very high3 Ų358 Ų581%0.01427%0.266CS..Hα-helixtrans-59.9-37.3-178.1-72.474.9-16700112.7K43 Y49 M125 Y159 R167 K170K43-E45 PolarHBondContact O-N 2.95Å; E45-Y49 WeakPolarHBondContact O-CB 3.24Å; E45-Y49 PolarHBondContact O-N 3.14Å; E45-M125 HydrophobicContact CB-CE 4.48Å; E45-Y159 HydrophobicContact CG-CE2 3.96Å; E45-Y159 WeakPolarHBondContact CG-OH 3.13Å; E45-Y159 PolarHBondContact OE1-OH 2.94Å; E45-R167 WeakPolarHBondContact OE1-CG 3.49Å; E45-K170 HydrophobicContact CB-CB 4.02Å; E45-K170 HydrophobicContact CG-CB 3.95Å; E45-K170 HydrophobicContact CG-CD 4.34Å; E45-K170 WeakPolarHBondContact OE2-CD 3.35Å; E45-K170 IonicContact OE2-NZ 3.2Å; E45-K170 PolarHBondContact OE2-NZ 2.77Å
46R93.7Very high92.2Very high113 Ų11358 Ų5843%0.42627%0.266SS..Hα-helixtrans-74.5-45.5-174.9-179-174.7175.7-169-2.5111.2D44 Y48 Y49 C50 A174 S177 R178D44-R46 VanDerWaalsContact C-N 3.27Å; D44-R46 PolarHBondContact O-N 3.16Å; D44-R46 WeakPolarHBondContact OD1-CA 3.41Å; D44-R46 VanDerWaalsContact OD1-CB 3.28Å; D44-R46 WeakPolarHBondContact OD1-CB 3.41Å; D44-R46 PolarHBondContact OD1-N 3.07Å; R46-Y48 VanDerWaalsContact C-N 3.34Å; R46-Y48 PolarHBondContact O-N 2.72Å; R46-Y49 PolarHBondContact O-N 3.37Å; R46-C50 PolarHBondContact O-N 3.33Å; R46-C50 PolarHBondContact O-SG 2.74Å; R46-C50 VanDerWaalsContact O-SG 3.35Å; R46-A174 HydrophobicContact CB-CB 4Å; R46-A174 HydrophobicContact CG-CB 4.15Å; R46-S177 PolarHBondContact NE-OG 2.93Å; R46-R178 PolarHBondContact NH2-O 3.06Å
47E94.1Very high92.9Very high131 Ų13156.6 Ų56.661%0.61226%0.259SS*.Hα-helixtrans-57.5-49.7177.3-172.9-177179.900110.9D44 Y49 C50 Y51D44-E47 HydrophobicContact CB-CB 4.06Å; D44-E47 PolarHBondContact OD1-N 3.41Å; E47-Y49 PolarHBondContact O-N 3.21Å; E47-C50 PolarHBondContact O-N 2.8Å; E47-Y51 PolarHBondContact O-N 2.96Å
48Y95.5Very high93.4Very high52 Ų5253.6 Ų53.620%0.20424%0.238CC..Hα-helixtrans-69.9-33.7-179.7-83.5-92.7000113K43 D44 R46 C50 Y51 S52 S157 Y159K43-Y48 HydrophobicContact CB-CD2 3.82Å; K43-Y48 HydrophobicContact CB-CE2 3.6Å; K43-Y48 HydrophobicContact CD-CE1 4.03Å; K43-Y48 HydrophobicContact CD-CE2 3.92Å; K43-Y48 HydrophobicContact CG-CD2 4.42Å; K43-Y48 HydrophobicContact CG-CE2 3.76Å; D44-Y48 WeakPolarHBondContact O-CD2 3.02Å; D44-Y48 PolarHBondContact O-N 3.1Å; R46-Y48 VanDerWaalsContact C-N 3.34Å; R46-Y48 PolarHBondContact O-N 2.72Å; Y48-C50 VanDerWaalsContact C-N 3.29Å; Y48-C50 PolarHBondContact O-N 3.22Å; Y48-Y51 PolarHBondContact O-N 2.77Å; Y48-S52 WeakPolarHBondContact O-CB 3.18Å; Y48-S52 PolarHBondContact O-N 3.31Å; Y48-S52 PolarHBondContact O-OG 2.63Å; Y48-S157 WeakPolarHBondContact CE1-O 3.4Å; Y48-S157 PolarHBondContact OH-O 2.9Å; Y48-Y159 HydrophobicContact CD2-CD2 4.27Å; Y48-Y159 HydrophobicContact CG-CD2 4.02Å; Y48-Y159 HydrophobicContact CG-CG 4.41Å
49Y95.9Very high93.9Very high24 Ų2454.3 Ų54.39%0.09424%0.243CC..Hα-helixtrans-59.4-42172.8174.2-94.5000111.7E45 R46 E47 A55 K84 A174 V175E45-Y49 WeakPolarHBondContact O-CB 3.24Å; E45-Y49 PolarHBondContact O-N 3.14Å; R46-Y49 PolarHBondContact O-N 3.37Å; E47-Y49 PolarHBondContact O-N 3.21Å; Y49-A55 HydrophobicContact CD2-CB 3.92Å; Y49-A55 HydrophobicContact CE2-CB 4.27Å; Y49-K84 HydrophobicContact CE2-CB 3.68Å; Y49-K84 HydrophobicContact CE2-CD 4.09Å; Y49-K84 HydrophobicContact CE2-CG 4.43Å; Y49-K84 PolarHBondContact O-NZ 3.12Å; Y49-A174 HydrophobicContact CD1-CB 3.95Å; Y49-A174 HydrophobicContact CG-CB 3.88Å; Y49-V175 HydrophobicContact CD2-CG2 4.33Å; Y49-V175 HydrophobicContact CE2-CB 4.45Å; Y49-V175 HydrophobicContact CE2-CG2 3.5Å; Y49-V175 VanDerWaalsContact CE2-CG2 3.5Å
50C94.1Very high94.5Very high42 Ų4253.5 Ų53.528%0.28424%0.237SC..Hα-helixtrans-68.9-43.4178.9-69.90000112.5R46 E47 Y48 S52 C179R46-C50 PolarHBondContact O-N 3.33Å; R46-C50 PolarHBondContact O-SG 2.74Å; R46-C50 VanDerWaalsContact O-SG 3.35Å; E47-C50 PolarHBondContact O-N 2.8Å; Y48-C50 VanDerWaalsContact C-N 3.29Å; Y48-C50 PolarHBondContact O-N 3.22Å; C50-S52 VanDerWaalsContact C-N 3.33Å; C50-S52 PolarHBondContact O-N 3.46Å; C50-C179 WeakPolarHBondContact CA-SG 3.47Å; C50-C179 HydrophobicContact CB-CB 3.68Å; C50-C179 WeakPolarHBondContact CB-SG 3.47Å; C50-C179 WeakPolarHBondContact SG-CA 3.42Å; C50-C179 WeakPolarHBondContact SG-CB 3.02Å; C50-C179 CovalentContact SG-SG 2.04Å; C50-C179 PolarHBondContact SG-SG 3.26Å
51Y94.3Very high95Very high166 Ų16650.8 Ų50.865%0.65123%0.231SC*.Hα-helixtrans-70.4-26.8178.6-176.9-101.5000113.9E47 Y48 Q127E47-Y51 PolarHBondContact O-N 2.96Å; Y48-Y51 PolarHBondContact O-N 2.77Å; Y51-Q127 PolarHBondContact O-NE2 3.48Å
52S95.9Very high95.3Very high2 Ų249.4 Ų49.41%0.01423%0.228CC..  trans-82.8143.4-173.9-61.10000112.7Y48 C50 F54 K84 M125 G126Y48-S52 WeakPolarHBondContact O-CB 3.18Å; Y48-S52 PolarHBondContact O-N 3.31Å; Y48-S52 PolarHBondContact O-OG 2.63Å; C50-S52 VanDerWaalsContact C-N 3.33Å; C50-S52 PolarHBondContact O-N 3.46Å; S52-F54 WeakPolarHBondContact CB-O 3.32Å; S52-K84 WeakPolarHBondContact O-CE 3.2Å; S52-K84 PolarHBondContact O-NZ 3.02Å; S52-M125 VanDerWaalsContact OG-CB 3.3Å; S52-M125 WeakPolarHBondContact OG-CB 3.26Å; S52-G126 CarbonylContact C-O 3.55Å; S52-G126 WeakPolarHBondContact CA-O 3.37Å; S52-G126 WeakPolarHBondContact CB-O 3.47Å; S52-G126 PolarHBondContact OG-N 3.03Å
53E95.6Very high95.6Very high47 Ų4746.1 Ų46.122%0.2221%0.214CC..SBendtrans-75-33.5171.5-70.3-179.194.300111.3S86 G126 Q127 I128 H130 R133E53-S86 WeakPolarHBondContact O-CB 3.23Å; E53-S86 PolarHBondContact O-OG 3.28Å; E53-G126 PolarHBondContact N-O 2.75Å; E53-Q127 PolarHBondContact OE2-OE1 3.46Å; E53-I128 HydrophobicContact CB-CB 4.46Å; E53-I128 HydrophobicContact CB-CD1 4.01Å; E53-I128 HydrophobicContact CB-CG1 3.9Å; E53-I128 PolarHBondContact OE2-N 2.82Å; E53-H130 IonicContact OE1-CD2 2.85Å; E53-H130 IonicContact OE1-CE1 3.48Å; E53-H130 IonicContact OE1-NE2 3.65Å; E53-H130 PolarHBondContact OE1-NE2 3.46Å; E53-H130 IonicContact OE2-NE2 3.72Å; E53-R133 IonicContact OE1-NH2 2.81Å; E53-R133 IonicContact OE2-CZ 3.51Å; E53-R133 IonicContact OE2-NH1 3.23Å; E53-R133 IonicContact OE2-NH2 3.27Å; E53-R133 PolarHBondContact OE2-NH2 2.97Å
54F96.8Very high95.7Very high0 Ų048 Ų480%023%0.225CC..EExtended strand (participates in β ladder)trans-132.9152.4176.280.3-86.2000111.3S52 V56 K84 L88 L101 V124 M125 G126 Q127 I128 L154S52-F54 WeakPolarHBondContact CB-O 3.32Å; F54-V56 HydrophobicContact CD2-CG1 4.44Å; F54-V56 HydrophobicContact CD2-CG2 4.29Å; F54-V56 HydrophobicContact CE2-CG2 4.26Å; F54-K84 CarbonylContact C-O 3.5Å; F54-K84 VanDerWaalsContact CA-O 3.28Å; F54-K84 WeakPolarHBondContact CA-O 3.18Å; F54-L88 HydrophobicContact CB-CB 4.29Å; F54-L88 HydrophobicContact CB-CD1 4.38Å; F54-L88 HydrophobicContact CB-CD2 4.12Å; F54-L88 HydrophobicContact CD1-CD1 4.23Å; F54-L88 HydrophobicContact CD2-CD1 4.24Å; F54-L88 HydrophobicContact CD2-CD2 3.84Å; F54-L88 HydrophobicContact CG-CD1 4.02Å; F54-L88 HydrophobicContact CG-CD2 4.12Å; F54-L101 HydrophobicContact CE1-CD2 4.44Å; F54-L101 HydrophobicContact CE2-CD2 3.78Å; F54-L101 HydrophobicContact CZ-CD2 3.59Å; F54-V124 HydrophobicContact CE2-CG2 4.04Å; F54-M125 CarbonylContact O-C 3.59Å; F54-M125 VanDerWaalsContact O-CA 3.26Å; F54-M125 WeakPolarHBondContact O-CA 3.39Å; F54-G126 WeakPolarHBondContact CD1-O 3.4Å; F54-G126 VanDerWaalsContact CE1-CA 3.49Å; F54-G126 PolarHBondContact N-O 2.9Å; F54-G126 VanDerWaalsContact N-O 3.14Å; F54-G126 PolarHBondContact O-N 3.49Å; F54-Q127 WeakPolarHBondContact CD1-O 3.34Å; F54-Q127 WeakPolarHBondContact CE1-O 3.25Å; F54-I128 HydrophobicContact CB-CG1 4.45Å; F54-I128 HydrophobicContact CD1-CG1 4.18Å; F54-L154 HydrophobicContact CZ-CD2 3.97Å; F54-L154 HydrophobicContact CZ-CG 4.39Å
55A97.4Very high95.7Very high0 Ų048.7 Ų48.70%023%0.232CC..EExtended strand (participates in β ladder)trans-146.5119.217500000109.5Y49 Y83 K84 V124 M125Y49-A55 HydrophobicContact CD2-CB 3.92Å; Y49-A55 HydrophobicContact CE2-CB 4.27Å; A55-Y83 HydrophobicContact CB-CD2 4.27Å; A55-Y83 WeakPolarHBondContact O-CA 3.35Å; A55-Y83 WeakPolarHBondContact O-CB 3.37Å; A55-Y83 PolarHBondContact O-N 2.85Å; A55-K84 HydrophobicContact CB-CB 3.94Å; A55-K84 PolarHBondContact N-O 2.01Å; A55-K84 PolarHBondContact O-N 3Å; A55-V124 CarbonylContact C-O 3.59Å; A55-V124 WeakPolarHBondContact CA-O 3.35Å; A55-M125 HydrophobicContact CB-CB 4.05Å; A55-M125 HydrophobicContact CB-CG 3.71Å; A55-M125 HydrophobicContact CB-SD 4.23Å
56V97.5Very high95.5Very high0 Ų050 Ų500%024%0.239CC..EExtended strand (participates in β ladder)trans-140.6157.9-178.5-57.30000111.2F54 L75 V77 G81 F82 L88 I123 V124F54-V56 HydrophobicContact CD2-CG1 4.44Å; F54-V56 HydrophobicContact CD2-CG2 4.29Å; F54-V56 HydrophobicContact CE2-CG2 4.26Å; V56-L75 HydrophobicContact CG2-CD1 4.37Å; V56-V77 HydrophobicContact CB-CG2 4.38Å; V56-V77 HydrophobicContact CG2-CG2 4.29Å; V56-G81 CarbonylContact C-O 3.39Å; V56-G81 VanDerWaalsContact CA-O 3.25Å; V56-G81 WeakPolarHBondContact CA-O 3.22Å; V56-F82 HydrophobicContact CB-CD1 4.39Å; V56-F82 HydrophobicContact CG1-CD1 3.46Å; V56-F82 VanDerWaalsContact CG1-CD1 3.46Å; V56-F82 HydrophobicContact CG1-CE1 3.95Å; V56-F82 HydrophobicContact CG1-CG 4.42Å; V56-L88 HydrophobicContact CG1-CD2 4.04Å; V56-I123 WeakPolarHBondContact O-CA 3.25Å; V56-V124 HydrophobicContact CG2-CG2 3.43Å; V56-V124 VanDerWaalsContact CG2-CG2 3.43Å; V56-V124 PolarHBondContact N-O 3.28Å; V56-V124 PolarHBondContact O-N 3.3Å; V56-V124 VanDerWaalsContact O-O 3.13Å
57N96.9Very high95.3Very high0 Ų051 Ų510%025%0.247CC..EExtended strand (participates in β ladder)trans-113.2145.5163.782.840.9000109.5V77 G81 Y83 R121 Y122 I123 F163N57-V77 VanDerWaalsContact O-CG1 3.29Å; N57-V77 WeakPolarHBondContact O-CG1 2.89Å; N57-V77 WeakPolarHBondContact O-CG2 3Å; N57-G81 VanDerWaalsContact CG-CA 3.46Å; N57-G81 PolarHBondContact N-O 3.49Å; N57-G81 WeakPolarHBondContact OD1-CA 3.48Å; N57-Y83 HydrophobicContact CB-CE2 3.88Å; N57-Y83 PolarHBondContact ND2-OH 3.04Å; N57-R121 PolarHBondContact OD1-NE 2.97Å; N57-R121 PolarHBondContact OD1-NH2 3.05Å; N57-Y122 CarbonylContact C-O 3.52Å; N57-Y122 WeakPolarHBondContact CA-O 3.36Å; N57-I123 HydrophobicContact CB-CG1 3.9Å; N57-F163 HydrophobicContact CB-CD2 4.29Å
58G97.1Very high94.9Very high2 Ų253.1 Ų53.12%0.02125%0.254CS..EExtended strand (participates in β ladder)trans-173.8164.2-178.300000112.9M76 R121 Y122G58-M76 CarbonylContact C-O 3.59Å; G58-M76 WeakPolarHBondContact CA-O 3.5Å; G58-R121 CarbonylContact O-C 3.51Å; G58-R121 VanDerWaalsContact O-CA 3.3Å; G58-R121 WeakPolarHBondContact O-CA 3.38Å; G58-Y122 PolarHBondContact N-O 3.4Å; G58-Y122 PolarHBondContact O-N 3.41Å
59I97.3Very high94.5Very high69 Ų6951.8 Ų51.835%0.35426%0.255SS..EExtended strand (participates in β ladder)trans-91.2134176.2-62.6165.2000108.4H61 L75 M76 R121I59-H61 PolarHBondContact O-N 3.33Å; I59-H61 VanDerWaalsContact O-N 3.16Å; I59-L75 CarbonylContact O-C 3.52Å; I59-L75 WeakPolarHBondContact O-CA 3.3Å; I59-M76 PolarHBondContact N-O 3.32Å; I59-M76 PolarHBondContact O-N 2.81Å; I59-R121 HydrophobicContact CG1-CB 4.02Å; I59-R121 HydrophobicContact CG1-CG 4.06Å
60V97.8Very high94.2Very high2 Ų251.4 Ų51.41%0.01226%0.256CS..EExtended strand (participates in β ladder)trans-72.7108.9176.4-174.80000108.9I63 L75 I116 K117 L118 G119 A120 Y122V60-I63 HydrophobicContact CG1-CD1 3.88Å; V60-I63 HydrophobicContact CG1-CG1 3.59Å; V60-L75 HydrophobicContact CB-CD2 4.14Å; V60-L75 HydrophobicContact CG2-CD2 3.56Å; V60-I116 HydrophobicContact CB-CG2 4.4Å; V60-I116 HydrophobicContact CG1-CG2 4.08Å; V60-I116 HydrophobicContact CG2-CG2 3.5Å; V60-I116 VanDerWaalsContact CG2-CG2 3.5Å; V60-K117 WeakPolarHBondContact CB-O 3.33Å; V60-L118 HydrophobicContact CG1-CD1 4.29Å; V60-G119 WeakPolarHBondContact O-CA 3.44Å; V60-G119 PolarHBondContact O-N 3.38Å; V60-A120 PolarHBondContact N-O 3.02Å; V60-Y122 HydrophobicContact CG2-CD2 3.7Å; V60-Y122 HydrophobicContact CG2-CE2 3.99Å
61H96.8Very high94.2Very high96 Ų9650.3 Ų50.344%0.44425%0.246SC..EExtended strand (participates in β ladder)trans-87.6-37.6-179.7174.8-83.9000112.1I59 T74 M76 L118I59-H61 PolarHBondContact O-N 3.33Å; I59-H61 VanDerWaalsContact O-N 3.16Å; H61-T74 PolarHBondContact N-O 2.87Å; H61-M76 HydrophobicContact CB-CG 3.85Å; H61-M76 HydrophobicContact CB-SD 4.06Å; H61-M76 PolarHBondContact CD2-SD 3.15Å; H61-L118 VanDerWaalsContact O-CD1 3.29Å; H61-L118 WeakPolarHBondContact O-CD1 3.3Å
62D96.3Very high94.2Very high78 Ų7842.9 Ų42.942%0.41722%0.217SC..EExtended strand (participates in β ladder)trans-147.4149.6-176.9-172.930.6000111.9I73 T74D62-I73 VanDerWaalsContact O-CA 3.3Å; D62-I73 WeakPolarHBondContact O-CA 3.35Å; D62-T74 PolarHBondContact N-O 2.82Å; D62-T74 PolarHBondContact O-N 2.77Å
63I96Very high94.3Very high43 Ų4342.8 Ų42.822%0.22122%0.216CC..EExtended strand (participates in β ladder)trans-138.5107.3177.1-56.1178.8000108.7V60 V65 L72 I73 I116 L118V60-I63 HydrophobicContact CG1-CD1 3.88Å; V60-I63 HydrophobicContact CG1-CG1 3.59Å; I63-V65 HydrophobicContact CG2-CG2 4.13Å; I63-L72 CarbonylContact C-O 3.6Å; I63-I73 HydrophobicContact CB-CG2 4.36Å; I63-I73 HydrophobicContact CG1-CG2 3.99Å; I63-I73 HydrophobicContact CG2-CG2 4.12Å; I63-I116 HydrophobicContact CD1-CG2 4.31Å; I63-L118 HydrophobicContact CD1-CB 4.43Å; I63-L118 HydrophobicContact CG1-CD1 4.15Å
64D94.1Very high94.3Very high58 Ų5841.5 Ų41.531%0.3121%0.212SC..EExtended strand (participates in β ladder)trans-96.8112171.6-178.19.1000109.5L66 R71 L72 K146D64-L66 WeakPolarHBondContact OD2-CD2 3.35Å; D64-R71 CarbonylContact O-C 3.51Å; D64-R71 WeakPolarHBondContact O-CA 3.17Å; D64-L72 HydrophobicContact CB-CB 4.28Å; D64-L72 PolarHBondContact N-O 2.86Å; D64-L72 PolarHBondContact O-N 2.89Å; D64-K146 IonicContact OD1-NZ 3.95Å; D64-K146 IonicContact OD2-NZ 2.76Å; D64-K146 PolarHBondContact OD2-NZ 2.95Å
65V92.3Very high94.4Very high95 Ų9541.6 Ų41.658%0.57621%0.212SC*.EExtended strand (participates in β ladder)trans-90.3105.2179.4-174.50000109I63 R71I63-V65 HydrophobicContact CG2-CG2 4.13Å; V65-R71 HydrophobicContact CB-CG 4.47Å; V65-R71 HydrophobicContact CG1-CG 4.29Å; V65-R71 HydrophobicContact CG2-CG 4.15Å
66L90.3Very high94.4Very high31 Ų3143.3 Ų43.316%0.16222%0.221CC..EExtended strand (participates in β ladder)trans-84.4-40.3-176-56.4179.2000112.6D64 V70 L72 L142 L143 K146D64-L66 WeakPolarHBondContact OD2-CD2 3.35Å; L66-V70 HydrophobicContact CB-CG1 4.24Å; L66-V70 HydrophobicContact CD1-CG1 4.14Å; L66-V70 PolarHBondContact N-O 2.98Å; L66-L72 HydrophobicContact CD1-CD1 3.81Å; L66-L72 HydrophobicContact CD1-CG 3.96Å; L66-L72 HydrophobicContact CD2-CD1 4.44Å; L66-L72 HydrophobicContact CG-CD1 4.44Å; L66-L142 HydrophobicContact CB-CD1 4.26Å; L66-L142 HydrophobicContact CB-CD2 3.65Å; L66-L142 HydrophobicContact CB-CG 3.9Å; L66-L142 HydrophobicContact CD1-CD2 4.44Å; L66-L142 HydrophobicContact CD1-CG 4.3Å; L66-L143 HydrophobicContact CD1-CD2 3.3Å; L66-L143 HydrophobicContact CD1-CG 4.34Å; L66-K146 HydrophobicContact CD2-CD 3.85Å
67K88.3Confident94.3Very high134 Ų13443.3 Ų43.358%0.58322%0.221SC*.EExtended strand (participates in β ladder)trans-156.6163.3178.2-174.7171.7179.31770108.5G69 V70 L142K67-G69 PolarHBondContact O-N 2.87Å; K67-G69 VanDerWaalsContact O-N 3.09Å; K67-V70 HydrophobicContact CB-CB 4.26Å; K67-V70 HydrophobicContact CB-CG2 4.41Å; K67-V70 PolarHBondContact N-O 3.02Å; K67-V70 PolarHBondContact O-N 2.74Å; K67-L142 HydrophobicContact CB-CD2 3.84Å
68K86.1Confident94.2Very high175 Ų17544.5 Ų44.576%0.76123%0.229SC*.THydrogen-bonded Turntrans-50.7121.5169.1-172.3177.7179.7-178.20109.8V70K68-V70 VanDerWaalsContact C-N 3.32Å; K68-V70 PolarHBondContact O-N 2.76Å
69G86.8Confident94Very high23 Ų2348.1 Ų48.124%0.23726%0.258CS..THydrogen-bonded Turntrans78.83.1-177.900000115.8K67 L104 D105K67-G69 PolarHBondContact O-N 2.87Å; K67-G69 VanDerWaalsContact O-N 3.09Å; G69-L104 CarbonylContact O-C 3.55Å; G69-L104 WeakPolarHBondContact O-CA 3.41Å; G69-D105 PolarHBondContact O-N 2.99Å
70V91.3Very high93.7Very high17 Ų1749.3 Ų49.310%0.10327%0.265CS..EExtended strand (participates in β ladder)trans-128115.2178.2-175.90000109.5L66 K67 K68 L102 L104 L139 L142L66-V70 HydrophobicContact CB-CG1 4.24Å; L66-V70 HydrophobicContact CD1-CG1 4.14Å; L66-V70 PolarHBondContact N-O 2.98Å; K67-V70 HydrophobicContact CB-CB 4.26Å; K67-V70 HydrophobicContact CB-CG2 4.41Å; K67-V70 PolarHBondContact N-O 3.02Å; K67-V70 PolarHBondContact O-N 2.74Å; K68-V70 VanDerWaalsContact C-N 3.32Å; K68-V70 PolarHBondContact O-N 2.76Å; V70-L102 HydrophobicContact CG1-CD1 4.14Å; V70-L104 HydrophobicContact CB-CD2 4.42Å; V70-L104 HydrophobicContact CG1-CD2 3.98Å; V70-L104 HydrophobicContact CG2-CD2 4.08Å; V70-L139 HydrophobicContact CB-CD1 4.36Å; V70-L139 HydrophobicContact CG1-CD1 3.55Å; V70-L139 HydrophobicContact CG2-CD1 3.88Å; V70-L142 HydrophobicContact CG1-CD2 4.25Å
71R93.6Very high93.5Very high19 Ų1949.2 Ų49.27%0.07227%0.265CS..EExtended strand (participates in β ladder)trans-133.7143.8-179.1-62173.2-72.1175.4-2.4110.5D64 V65 V103 P114D64-R71 CarbonylContact O-C 3.51Å; D64-R71 WeakPolarHBondContact O-CA 3.17Å; V65-R71 HydrophobicContact CB-CG 4.47Å; V65-R71 HydrophobicContact CG1-CG 4.29Å; V65-R71 HydrophobicContact CG2-CG 4.15Å; R71-V103 HydrophobicContact CB-CB 4.33Å; R71-V103 PolarHBondContact N-O 2.94Å; R71-V103 PolarHBondContact O-N 2.85Å; R71-P114 PolarHBondContact NH1-O 2.79Å; R71-P114 PolarHBondContact NH2-O 2.83Å
72L94.9Very high93.4Very high9 Ų945.9 Ų45.95%0.04725%0.249CC..EExtended strand (participates in β ladder)trans-102.9128.4163.3-72.4168.9000107.8I63 D64 L66 L101 L102 L143 K146 L147I63-L72 CarbonylContact C-O 3.6Å; D64-L72 HydrophobicContact CB-CB 4.28Å; D64-L72 PolarHBondContact N-O 2.86Å; D64-L72 PolarHBondContact O-N 2.89Å; L66-L72 HydrophobicContact CD1-CD1 3.81Å; L66-L72 HydrophobicContact CD1-CG 3.96Å; L66-L72 HydrophobicContact CD2-CD1 4.44Å; L66-L72 HydrophobicContact CG-CD1 4.44Å; L72-L101 WeakPolarHBondContact CA-O 3.33Å; L72-L102 HydrophobicContact CD2-CB 4.16Å; L72-L102 HydrophobicContact CD2-CD1 3.74Å; L72-L102 HydrophobicContact CG-CD1 4.28Å; L72-L143 HydrophobicContact CD1-CD2 4.14Å; L72-L143 HydrophobicContact CD2-CD2 4.23Å; L72-L143 HydrophobicContact CG-CD2 4.25Å; L72-K146 HydrophobicContact CD1-CB 3.6Å; L72-K146 HydrophobicContact CD1-CD 3.92Å; L72-K146 HydrophobicContact CD1-CG 4.39Å; L72-L147 HydrophobicContact CD2-CD1 4.08Å
73I96.4Very high93.4Very high1 Ų143 Ų431%0.00523%0.233CC..EExtended strand (participates in β ladder)trans-120.4148.2176.368.9174.8000110D62 I63 L75 L101 V103 I116D62-I73 VanDerWaalsContact O-CA 3.3Å; D62-I73 WeakPolarHBondContact O-CA 3.35Å; I63-I73 HydrophobicContact CB-CG2 4.36Å; I63-I73 HydrophobicContact CG1-CG2 3.99Å; I63-I73 HydrophobicContact CG2-CG2 4.12Å; I73-L75 HydrophobicContact CD1-CD2 4.33Å; I73-L101 HydrophobicContact CD1-CB 4.24Å; I73-L101 HydrophobicContact CD1-CD1 4.03Å; I73-L101 HydrophobicContact CG1-CB 3.7Å; I73-L101 HydrophobicContact CG1-CD1 4.21Å; I73-L101 HydrophobicContact CG1-CG 4.35Å; I73-L101 PolarHBondContact N-O 2.79Å; I73-L101 PolarHBondContact O-N 2.96Å; I73-V103 HydrophobicContact CD1-CG2 3.73Å; I73-V103 HydrophobicContact CG1-CG2 3.9Å; I73-V103 HydrophobicContact CG2-CG2 4.11Å; I73-I116 HydrophobicContact CD1-CD1 3.58Å; I73-I116 HydrophobicContact CD1-CG2 4.31Å
74T97.1Very high93.4Very high20 Ų2043.3 Ų43.312%0.12323%0.232CC..EExtended strand (participates in β ladder)trans-112.9121.3171.5-56.60000108.7H61 D62 K98 V99H61-T74 PolarHBondContact N-O 2.87Å; D62-T74 PolarHBondContact N-O 2.82Å; D62-T74 PolarHBondContact O-N 2.77Å; T74-K98 HydrophobicContact CG2-CB 4.35Å; T74-K98 HydrophobicContact CG2-CG 4.28Å; T74-V99 WeakPolarHBondContact CA-O 3.41Å
75L97.4Very high93.1Very high1 Ų144.8 Ų44.81%0.00524%0.239CC..EExtended strand (participates in β ladder)trans-96.7135.2170.3-61.5-172.6000109.9V56 I59 V60 I73 V77 K98 V99 L101 V124V56-L75 HydrophobicContact CG2-CD1 4.37Å; I59-L75 CarbonylContact O-C 3.52Å; I59-L75 WeakPolarHBondContact O-CA 3.3Å; V60-L75 HydrophobicContact CB-CD2 4.14Å; V60-L75 HydrophobicContact CG2-CD2 3.56Å; I73-L75 HydrophobicContact CD1-CD2 4.33Å; L75-V77 HydrophobicContact CB-CG2 4.13Å; L75-K98 WeakPolarHBondContact O-CA 3.45Å; L75-V99 HydrophobicContact CB-CB 4.4Å; L75-V99 PolarHBondContact N-O 3.46Å; L75-V99 PolarHBondContact O-N 2.96Å; L75-L101 HydrophobicContact CD1-CD1 3.52Å; L75-L101 HydrophobicContact CG-CD1 3.83Å; L75-V124 HydrophobicContact CD1-CG1 4.25Å; L75-V124 HydrophobicContact CD1-CG2 3.56Å
76M97.4Very high93Very high37 Ų3744.1 Ų44.118%0.18224%0.238CC..EExtended strand (participates in β ladder)trans-90115.1160.8-78.6-178.5144.300108.8G58 I59 H61 D93 F96G58-M76 CarbonylContact C-O 3.59Å; G58-M76 WeakPolarHBondContact CA-O 3.5Å; I59-M76 PolarHBondContact N-O 3.32Å; I59-M76 PolarHBondContact O-N 2.81Å; H61-M76 HydrophobicContact CB-CG 3.85Å; H61-M76 HydrophobicContact CB-SD 4.06Å; H61-M76 PolarHBondContact CD2-SD 3.15Å; M76-D93 WeakPolarHBondContact CE-OD2 3.43Å; M76-F96 HydrophobicContact CB-CB 4.19Å; M76-F96 HydrophobicContact CB-CD1 4.43Å; M76-F96 HydrophobicContact CB-CG 4.33Å; M76-F96 HydrophobicContact CG-CB 4.34Å
77V96.9Very high93.1Very high0 Ų052.2 Ų52.20%027%0.267CS..EExtended strand (participates in β ladder)trans-109.8129.1-177.41790000108.6V56 N57 L75 F82 F97 V99V56-V77 HydrophobicContact CB-CG2 4.38Å; V56-V77 HydrophobicContact CG2-CG2 4.29Å; N57-V77 VanDerWaalsContact O-CG1 3.29Å; N57-V77 WeakPolarHBondContact O-CG1 2.89Å; N57-V77 WeakPolarHBondContact O-CG2 3Å; L75-V77 HydrophobicContact CB-CG2 4.13Å; V77-F82 HydrophobicContact CB-CE1 4.22Å; V77-F82 HydrophobicContact CB-CE2 4.11Å; V77-F82 HydrophobicContact CB-CZ 3.79Å; V77-F82 HydrophobicContact CG1-CD1 3.95Å; V77-F82 HydrophobicContact CG1-CD2 3.67Å; V77-F82 HydrophobicContact CG1-CE1 3.68Å; V77-F82 HydrophobicContact CG1-CE2 3.38Å; V77-F82 HydrophobicContact CG1-CG 3.96Å; V77-F82 HydrophobicContact CG1-CZ 3.39Å; V77-F97 PolarHBondContact N-O 3.49Å; V77-F97 PolarHBondContact O-N 2.89Å; V77-V99 HydrophobicContact CB-CG2 4.43Å; V77-V99 HydrophobicContact CG2-CB 4.28Å; V77-V99 HydrophobicContact CG2-CG2 3.77Å
78S95.1Very high93.4Very high24 Ų2446.4 Ų46.417%0.16824%0.242CC..  trans-79.9164.8171.2510000110.6D80 G81S78-D80 VanDerWaalsContact C-N 3.25Å; S78-D80 WeakPolarHBondContact CB-OD1 3.1Å; S78-D80 PolarHBondContact O-N 2.92Å; S78-D80 PolarHBondContact OG-OD1 2.86Å; S78-G81 WeakPolarHBondContact O-CA 3.07Å; S78-G81 PolarHBondContact O-N 3.03Å
79A91.7Very high93.7Very high78 Ų7843.7 Ų43.765%0.64523%0.228SC*.G310 helixtrans-57.5-35.2-17800000113.8G81 F97A79-G81 PolarHBondContact O-N 2.99Å; A79-F97 HydrophobicContact CB-CE2 4.41Å
80D90.8Very high94.1Very high94 Ų9444.8 Ų44.850%0.50323%0.23SC..G310 helixtrans-78.1-6.2174.669.2-44.4000113.7S78 F82 R121S78-D80 VanDerWaalsContact C-N 3.25Å; S78-D80 WeakPolarHBondContact CB-OD1 3.1Å; S78-D80 PolarHBondContact O-N 2.92Å; S78-D80 PolarHBondContact OG-OD1 2.86Å; D80-F82 VanDerWaalsContact C-N 3.32Å; D80-R121 IonicContact OD2-NH2 3.1Å
81G93.9Very high94.2Very high0 Ų046.7 Ų46.70%024%0.241CC..G310 helixtrans-81.9-8.7-176.200000114.1V56 N57 S78 A79V56-G81 CarbonylContact C-O 3.39Å; V56-G81 VanDerWaalsContact CA-O 3.25Å; V56-G81 WeakPolarHBondContact CA-O 3.22Å; N57-G81 VanDerWaalsContact CG-CA 3.46Å; N57-G81 PolarHBondContact N-O 3.49Å; N57-G81 WeakPolarHBondContact OD1-CA 3.48Å; S78-G81 WeakPolarHBondContact O-CA 3.07Å; S78-G81 PolarHBondContact O-N 3.03Å; A79-G81 PolarHBondContact O-N 2.99Å
82F95.5Very high94.2Very high27 Ų2750.4 Ų50.412%0.11827%0.268CS..EExtended strand (participates in β ladder)trans-94.5115.4-178.3-64.6-81.2000111.9V56 V77 D80 M85 V90 F97 V99V56-F82 HydrophobicContact CB-CD1 4.39Å; V56-F82 HydrophobicContact CG1-CD1 3.46Å; V56-F82 VanDerWaalsContact CG1-CD1 3.46Å; V56-F82 HydrophobicContact CG1-CE1 3.95Å; V56-F82 HydrophobicContact CG1-CG 4.42Å; V77-F82 HydrophobicContact CB-CE1 4.22Å; V77-F82 HydrophobicContact CB-CE2 4.11Å; V77-F82 HydrophobicContact CB-CZ 3.79Å; V77-F82 HydrophobicContact CG1-CD1 3.95Å; V77-F82 HydrophobicContact CG1-CD2 3.67Å; V77-F82 HydrophobicContact CG1-CE1 3.68Å; V77-F82 HydrophobicContact CG1-CE2 3.38Å; V77-F82 HydrophobicContact CG1-CG 3.96Å; V77-F82 HydrophobicContact CG1-CZ 3.39Å; D80-F82 VanDerWaalsContact C-N 3.32Å; F82-M85 HydrophobicContact CB-CE 3.19Å; F82-M85 HydrophobicContact CB-CG 3.73Å; F82-M85 HydrophobicContact CB-SD 3.95Å; F82-M85 HydrophobicContact CD1-CE 3.93Å; F82-M85 HydrophobicContact CD1-CG 3.47Å; F82-M85 VanDerWaalsContact CD1-CG 3.47Å; F82-M85 HydrophobicContact CD1-SD 3.59Å; F82-M85 VanDerWaalsContact CD1-SD 3.59Å; F82-M85 HydrophobicContact CD2-CE 3.67Å; F82-M85 HydrophobicContact CD2-SD 4.23Å; F82-M85 HydrophobicContact CE1-CG 4.28Å; F82-M85 HydrophobicContact CE1-SD 4.06Å; F82-M85 HydrophobicContact CE2-CE 4.46Å; F82-M85 HydrophobicContact CG-CE 3.33Å; F82-M85 HydrophobicContact CG-CG 3.83Å; F82-M85 HydrophobicContact CG-SD 3.67Å; F82-V90 HydrophobicContact CE1-CG1 3.61Å; F82-V90 HydrophobicContact CZ-CG1 3.72Å; F82-F97 HydrophobicContact CE2-CB 4.01Å; F82-F97 AromaticContact CE2-CD2 3.57Å; F82-F97 HydrophobicContact CE2-CD2 3.57Å; F82-F97 HydrophobicContact CE2-CE2 4.2Å; F82-F97 AromaticContact CE2-CG 3.87Å; F82-F97 HydrophobicContact CE2-CG 3.87Å; F82-F97 HydrophobicContact CZ-CB 3.63Å; F82-F97 HydrophobicContact CZ-CD2 4.09Å; F82-F97 AromaticContact CZ-CG 3.91Å; F82-F97 HydrophobicContact CZ-CG 3.91Å; F82-V99 HydrophobicContact CE1-CG2 4.15Å; F82-V99 HydrophobicContact CZ-CG2 4.49Å
83Y95.4Very high94Very high16 Ų1652.3 Ų52.36%0.06328%0.278CS..EExtended strand (participates in β ladder)trans-94.1-40.6173.2-48.7-64.5000111.5A55 N57 I123 H168 A171 L172A55-Y83 HydrophobicContact CB-CD2 4.27Å; A55-Y83 WeakPolarHBondContact O-CA 3.35Å; A55-Y83 WeakPolarHBondContact O-CB 3.37Å; A55-Y83 PolarHBondContact O-N 2.85Å; N57-Y83 HydrophobicContact CB-CE2 3.88Å; N57-Y83 PolarHBondContact ND2-OH 3.04Å; Y83-I123 HydrophobicContact CE2-CG1 4.42Å; Y83-I123 HydrophobicContact CE2-CG2 3.96Å; Y83-H168 AromaticContact CE1-CE1 3.79Å; Y83-H168 AromaticContact CE1-ND1 3.47Å; Y83-H168 WeakPolarHBondContact CE1-ND1 3.45Å; Y83-H168 AromaticContact CZ-ND1 3.53Å; Y83-H168 PolarHBondContact OH-ND1 2.8Å; Y83-A171 HydrophobicContact CD1-CB 4.29Å; Y83-A171 HydrophobicContact CD2-CB 4.34Å; Y83-A171 HydrophobicContact CE1-CB 4.1Å; Y83-A171 HydrophobicContact CE2-CB 4.16Å; Y83-A171 HydrophobicContact CG-CB 4.39Å; Y83-L172 HydrophobicContact CD1-CD2 3.97Å; Y83-L172 HydrophobicContact CE1-CD2 4Å; Y83-L172 HydrophobicContact CE1-CG 4.28Å
84K95.1Very high93.6Very high50 Ų5057.4 Ų57.422%0.21731%0.314CS..EExtended strand (participates in β ladder)trans-149113.4179.5-171.7177.8-170.9179.50109Y49 S52 F54 A55Y49-K84 HydrophobicContact CE2-CB 3.68Å; Y49-K84 HydrophobicContact CE2-CD 4.09Å; Y49-K84 HydrophobicContact CE2-CG 4.43Å; Y49-K84 PolarHBondContact O-NZ 3.12Å; S52-K84 WeakPolarHBondContact O-CE 3.2Å; S52-K84 PolarHBondContact O-NZ 3.02Å; F54-K84 CarbonylContact C-O 3.5Å; F54-K84 VanDerWaalsContact CA-O 3.28Å; F54-K84 WeakPolarHBondContact CA-O 3.18Å; A55-K84 HydrophobicContact CB-CB 3.94Å; A55-K84 PolarHBondContact N-O 2.01Å; A55-K84 PolarHBondContact O-N 3Å
85M89.3Confident93.2Very high90 Ų9064.8 Ų64.844%0.44335%0.345SS..  trans-96.9-34-178.1-61.4-168.2-138.100112.9F82 R87 L88F82-M85 HydrophobicContact CB-CE 3.19Å; F82-M85 HydrophobicContact CB-CG 3.73Å; F82-M85 HydrophobicContact CB-SD 3.95Å; F82-M85 HydrophobicContact CD1-CE 3.93Å; F82-M85 HydrophobicContact CD1-CG 3.47Å; F82-M85 VanDerWaalsContact CD1-CG 3.47Å; F82-M85 HydrophobicContact CD1-SD 3.59Å; F82-M85 VanDerWaalsContact CD1-SD 3.59Å; F82-M85 HydrophobicContact CD2-CE 3.67Å; F82-M85 HydrophobicContact CD2-SD 4.23Å; F82-M85 HydrophobicContact CE1-CG 4.28Å; F82-M85 HydrophobicContact CE1-SD 4.06Å; F82-M85 HydrophobicContact CE2-CE 4.46Å; F82-M85 HydrophobicContact CG-CE 3.33Å; F82-M85 HydrophobicContact CG-CG 3.83Å; F82-M85 HydrophobicContact CG-SD 3.67Å; M85-R87 PolarHBondContact O-N 3.4Å; M85-L88 WeakPolarHBondContact O-CB 3.34Å; M85-L88 PolarHBondContact O-N 3.21Å
86S89.9Confident93Very high81 Ų8168.7 Ų68.757%0.56636%0.362SS*.THydrogen-bonded Turntrans43.7-109.5-172.9-58.40000112E53E53-S86 WeakPolarHBondContact O-CB 3.23Å; E53-S86 PolarHBondContact O-OG 3.28Å
87R91.4Very high92.9Very high201 Ų20170.3 Ų70.376%0.75837%0.368SS*.THydrogen-bonded Turntrans-116.523.3178.2-59.9-179.667.1-177.13112.8M85 Y89 I128M85-R87 PolarHBondContact O-N 3.4Å; R87-Y89 PolarHBondContact O-N 3.06Å; R87-I128 HydrophobicContact CB-CD1 4.16Å
88L94.6Very high92.9Very high12 Ų1273.6 Ų73.66%0.06338%0.382CS..  trans-63.8128.7179.8-175.270.9000109.4F54 V56 M85 V90 V99 I128 G150F54-L88 HydrophobicContact CB-CB 4.29Å; F54-L88 HydrophobicContact CB-CD1 4.38Å; F54-L88 HydrophobicContact CB-CD2 4.12Å; F54-L88 HydrophobicContact CD1-CD1 4.23Å; F54-L88 HydrophobicContact CD2-CD1 4.24Å; F54-L88 HydrophobicContact CD2-CD2 3.84Å; F54-L88 HydrophobicContact CG-CD1 4.02Å; F54-L88 HydrophobicContact CG-CD2 4.12Å; V56-L88 HydrophobicContact CG1-CD2 4.04Å; M85-L88 WeakPolarHBondContact O-CB 3.34Å; M85-L88 PolarHBondContact O-N 3.21Å; L88-V90 PolarHBondContact O-N 3.18Å; L88-V99 HydrophobicContact CD1-CG1 4.25Å; L88-V99 HydrophobicContact CD2-CG1 3.79Å; L88-V99 HydrophobicContact CD2-CG2 4.22Å; L88-V99 HydrophobicContact CG-CG1 4.23Å; L88-I128 HydrophobicContact CB-CD1 4.47Å; L88-G150 WeakPolarHBondContact CA-O 3.43Å
89Y94.1Very high93Very high118 Ų11872.4 Ų72.446%0.46337%0.374SS..  trans-73.4124.2176.6-167.4-110.4000109.8R87 G150R87-Y89 PolarHBondContact O-N 3.06Å; Y89-G150 PolarHBondContact N-O 2.77Å
90V94.2Very high93.2Very high46 Ų4672.3 Ų72.328%0.27936%0.357SS..EExtended strand (participates in β ladder)trans-126.5130.7-179.9-85.90000108.4F82 L88 V99F82-V90 HydrophobicContact CE1-CG1 3.61Å; F82-V90 HydrophobicContact CZ-CG1 3.72Å; L88-V90 PolarHBondContact O-N 3.18Å; V90-V99 HydrophobicContact CG1-CG2 3.57Å
91T93.9Very high93.4Very high57 Ų5767.9 Ų67.935%0.3533%0.333SS..EExtended strand (participates in β ladder)trans-109120173.9-54.20000108.4F97 K98T91-F97 CarbonylContact O-C 3.55Å; T91-K98 PolarHBondContact N-O 2.86Å; T91-K98 PolarHBondContact O-N 2Å
92P93.1Very high93.5Very high97 Ų9767.9 Ų67.963%0.6333%0.333SS*.EExtended strand (participates in β ladder)trans-64.2140.3175.828-33.5000110.2F97P92-F97 HydrophobicContact CB-CD1 4.27Å; P92-F97 HydrophobicContact CB-CE1 4.27Å
93D90.8Very high93.4Very high48 Ų4866.6 Ų66.626%0.25733%0.327SS..EExtended strand (participates in β ladder)trans-143.385.2-177.1-171.247.1000109.8M76 F95 F96 K98M76-D93 WeakPolarHBondContact CE-OD2 3.43Å; D93-F95 PolarHBondContact O-N 2.82Å; D93-F96 CarbonylContact C-O 3.54Å; D93-F96 WeakPolarHBondContact CA-O 3.48Å; D93-F96 PolarHBondContact N-O 2.96Å; D93-F96 PolarHBondContact O-N 3.34Å; D93-F96 VanDerWaalsContact O-O 3.07Å; D93-K98 HydrophobicContact CB-CD 3.84Å; D93-K98 HydrophobicContact CB-CG 3.88Å; D93-K98 IonicContact OD1-NZ 3.9Å; D93-K98 PolarHBondContact OD1-NZ 3.29Å; D93-K98 WeakPolarHBondContact OD2-CE 3.38Å; D93-K98 IonicContact OD2-NZ 2.89Å; D93-K98 PolarHBondContact OD2-NZ 3.09Å
94S88.1Confident93.2Very high108 Ų10866.9 Ų66.976%0.75533%0.33SS*.THydrogen-bonded Turntrans54.1-109.5-173.3-175.30000111.1
95F87.9Confident93Very high176 Ų17665.3 Ų65.377%0.77232%0.324SS*.THydrogen-bonded Turntrans-88.6-9.3179.8-58-75.6000114.6D93D93-F95 PolarHBondContact O-N 2.82Å
96F94.1Very high92.8Very high82 Ų8264.1 Ų64.136%0.3632%0.322SS..EExtended strand (participates in β ladder)trans-117.1165.4-177.4-62.5-78.7000110.9M76 D93M76-F96 HydrophobicContact CB-CB 4.19Å; M76-F96 HydrophobicContact CB-CD1 4.43Å; M76-F96 HydrophobicContact CB-CG 4.33Å; M76-F96 HydrophobicContact CG-CB 4.34Å; D93-F96 CarbonylContact C-O 3.54Å; D93-F96 WeakPolarHBondContact CA-O 3.48Å; D93-F96 PolarHBondContact N-O 2.96Å; D93-F96 PolarHBondContact O-N 3.34Å; D93-F96 VanDerWaalsContact O-O 3.07Å
97F95.8Very high92.5Very high72 Ų7262.7 Ų62.732%0.31631%0.306SS..EExtended strand (participates in β ladder)trans-112.9126.6171-62-89.7000108.7V77 A79 F82 T91 P92V77-F97 PolarHBondContact N-O 3.49Å; V77-F97 PolarHBondContact O-N 2.89Å; A79-F97 HydrophobicContact CB-CE2 4.41Å; F82-F97 HydrophobicContact CE2-CB 4.01Å; F82-F97 AromaticContact CE2-CD2 3.57Å; F82-F97 HydrophobicContact CE2-CD2 3.57Å; F82-F97 HydrophobicContact CE2-CE2 4.2Å; F82-F97 AromaticContact CE2-CG 3.87Å; F82-F97 HydrophobicContact CE2-CG 3.87Å; F82-F97 HydrophobicContact CZ-CB 3.63Å; F82-F97 HydrophobicContact CZ-CD2 4.09Å; F82-F97 AromaticContact CZ-CG 3.91Å; F82-F97 HydrophobicContact CZ-CG 3.91Å; T91-F97 CarbonylContact O-C 3.55Å; P92-F97 HydrophobicContact CB-CD1 4.27Å; P92-F97 HydrophobicContact CB-CE1 4.27Å
98K96Very high92.1Very high68 Ų6861.1 Ų61.130%0.29630%0.304SS..EExtended strand (participates in β ladder)trans-79.8120.4173.2-76.4170.4166.7146.20109.4T74 L75 T91 D93T74-K98 HydrophobicContact CG2-CB 4.35Å; T74-K98 HydrophobicContact CG2-CG 4.28Å; L75-K98 WeakPolarHBondContact O-CA 3.45Å; T91-K98 PolarHBondContact N-O 2.86Å; T91-K98 PolarHBondContact O-N 2Å; D93-K98 HydrophobicContact CB-CD 3.84Å; D93-K98 HydrophobicContact CB-CG 3.88Å; D93-K98 IonicContact OD1-NZ 3.9Å; D93-K98 PolarHBondContact OD1-NZ 3.29Å; D93-K98 WeakPolarHBondContact OD2-CE 3.38Å; D93-K98 IonicContact OD2-NZ 2.89Å; D93-K98 PolarHBondContact OD2-NZ 3.09Å
99V96.6Very high91.5Very high0 Ų060.8 Ų60.80%030%0.303CS..EExtended strand (participates in β ladder)trans-115.4123.7172.5175.30000108.6T74 L75 V77 F82 L88 V90 L101T74-V99 WeakPolarHBondContact CA-O 3.41Å; L75-V99 HydrophobicContact CB-CB 4.4Å; L75-V99 PolarHBondContact N-O 3.46Å; L75-V99 PolarHBondContact O-N 2.96Å; V77-V99 HydrophobicContact CB-CG2 4.43Å; V77-V99 HydrophobicContact CG2-CB 4.28Å; V77-V99 HydrophobicContact CG2-CG2 3.77Å; F82-V99 HydrophobicContact CE1-CG2 4.15Å; F82-V99 HydrophobicContact CZ-CG2 4.49Å; L88-V99 HydrophobicContact CD1-CG1 4.25Å; L88-V99 HydrophobicContact CD2-CG1 3.79Å; L88-V99 HydrophobicContact CD2-CG2 4.22Å; L88-V99 HydrophobicContact CG-CG1 4.23Å; V90-V99 HydrophobicContact CG1-CG2 3.57Å; V99-L101 HydrophobicContact CG1-CD2 3.58Å; V99-L101 HydrophobicContact CG1-CG 3.99Å
100R96.1Very high90.9Very high75 Ų7558.6 Ų58.628%0.28331%0.305SS..EExtended strand (participates in β ladder)trans-99131.4178.5-59.9-177.474.3-116.25.4110K146 D151 G152R100-K146 PolarHBondContact NH1-O 3.12Å; R100-K146 PolarHBondContact NH2-O 2.95Å; R100-D151 IonicContact NH1-OD2 2.82Å; R100-D151 PolarHBondContact NH1-OD2 3.35Å; R100-G152 PolarHBondContact O-N 3.36Å
101L96.2Very high90.4Very high1 Ų162.3 Ų62.31%0.00532%0.317CS..EExtended strand (participates in β ladder)trans-131.2130-175.5-50.9173.5000110.9F54 L72 I73 L75 V99 V124 G152 L154F54-L101 HydrophobicContact CE1-CD2 4.44Å; F54-L101 HydrophobicContact CE2-CD2 3.78Å; F54-L101 HydrophobicContact CZ-CD2 3.59Å; L72-L101 WeakPolarHBondContact CA-O 3.33Å; I73-L101 HydrophobicContact CD1-CB 4.24Å; I73-L101 HydrophobicContact CD1-CD1 4.03Å; I73-L101 HydrophobicContact CG1-CB 3.7Å; I73-L101 HydrophobicContact CG1-CD1 4.21Å; I73-L101 HydrophobicContact CG1-CG 4.35Å; I73-L101 PolarHBondContact N-O 2.79Å; I73-L101 PolarHBondContact O-N 2.96Å; L75-L101 HydrophobicContact CD1-CD1 3.52Å; L75-L101 HydrophobicContact CG-CD1 3.83Å; V99-L101 HydrophobicContact CG1-CD2 3.58Å; V99-L101 HydrophobicContact CG1-CG 3.99Å; L101-V124 HydrophobicContact CD1-CG2 3.97Å; L101-G152 CarbonylContact C-O 3.35Å; L101-G152 VanDerWaalsContact CA-O 3.3Å; L101-G152 WeakPolarHBondContact CA-O 3.3Å; L101-G152 VanDerWaalsContact CD2-CA 3.47Å; L101-L154 HydrophobicContact CB-CD1 4.35Å; L101-L154 HydrophobicContact CD1-CD1 3.87Å
102L95.1Very high89.9Confident0 Ų063 Ų630%032%0.322CS..EExtended strand (participates in β ladder)trans-83.3123.7165.4-177.769.3000109.6V70 L72 L104 L135 L143 L147 G152 L153 L154V70-L102 HydrophobicContact CG1-CD1 4.14Å; L72-L102 HydrophobicContact CD2-CB 4.16Å; L72-L102 HydrophobicContact CD2-CD1 3.74Å; L72-L102 HydrophobicContact CG-CD1 4.28Å; L102-L104 HydrophobicContact CD1-CD2 4.14Å; L102-L104 HydrophobicContact CD2-CD1 4.05Å; L102-L104 HydrophobicContact CD2-CD2 3.85Å; L102-L104 HydrophobicContact CD2-CG 3.95Å; L102-L104 HydrophobicContact CG-CD2 3.89Å; L102-L104 HydrophobicContact CG-CG 4.04Å; L102-L135 HydrophobicContact CD2-CD1 4.37Å; L102-L143 HydrophobicContact CD1-CD1 3.99Å; L102-L143 HydrophobicContact CD1-CD2 3.63Å; L102-L143 HydrophobicContact CD1-CG 4.46Å; L102-L143 HydrophobicContact CD2-CD1 3.78Å; L102-L147 HydrophobicContact CB-CD1 3.97Å; L102-L147 HydrophobicContact CB-CD2 4.34Å; L102-L147 HydrophobicContact CD2-CD2 3.89Å; L102-G152 PolarHBondContact N-O 2.77Å; L102-L153 HydrophobicContact CB-CD1 4.04Å; L102-L153 HydrophobicContact CD2-CD1 3.63Å; L102-L153 HydrophobicContact CG-CD1 4.05Å; L102-L154 PolarHBondContact O-N 2.9Å
103V94.6Very high89.6Confident0 Ų058.3 Ų58.30%029%0.292CS..EExtended strand (participates in β ladder)trans-109.9117176-173.10000109.2R71 I73 P114 I116 L154R71-V103 HydrophobicContact CB-CB 4.33Å; R71-V103 PolarHBondContact N-O 2.94Å; R71-V103 PolarHBondContact O-N 2.85Å; I73-V103 HydrophobicContact CD1-CG2 3.73Å; I73-V103 HydrophobicContact CG1-CG2 3.9Å; I73-V103 HydrophobicContact CG2-CG2 4.11Å; V103-P114 HydrophobicContact CG1-CG 3.88Å; V103-I116 HydrophobicContact CG1-CD1 4.44Å; V103-I116 HydrophobicContact CG2-CD1 4.04Å; V103-L154 CarbonylContact C-O 3.57Å; V103-L154 WeakPolarHBondContact CA-O 3.29Å; V103-L154 HydrophobicContact CG2-CB 4.28Å; V103-L154 HydrophobicContact CG2-CD1 4.14Å
104L91.4Very high89.5Confident22 Ų2256.5 Ų56.512%0.11528%0.283CS..EExtended strand (participates in β ladder)trans-111.4120.8177.5-58.1-179.3000109.9G69 V70 L102 T106 L135 L139 L153 L154 R155 S156G69-L104 CarbonylContact O-C 3.55Å; G69-L104 WeakPolarHBondContact O-CA 3.41Å; V70-L104 HydrophobicContact CB-CD2 4.42Å; V70-L104 HydrophobicContact CG1-CD2 3.98Å; V70-L104 HydrophobicContact CG2-CD2 4.08Å; L102-L104 HydrophobicContact CD1-CD2 4.14Å; L102-L104 HydrophobicContact CD2-CD1 4.05Å; L102-L104 HydrophobicContact CD2-CD2 3.85Å; L102-L104 HydrophobicContact CD2-CG 3.95Å; L102-L104 HydrophobicContact CG-CD2 3.89Å; L102-L104 HydrophobicContact CG-CG 4.04Å; L104-T106 PolarHBondContact O-N 3.07Å; L104-T106 VanDerWaalsContact O-N 3.15Å; L104-L135 HydrophobicContact CD1-CD2 4.27Å; L104-L139 HydrophobicContact CD1-CD2 4Å; L104-L139 HydrophobicContact CD2-CD1 4.3Å; L104-L139 HydrophobicContact CD2-CD2 3.78Å; L104-L153 HydrophobicContact CD1-CD1 3.9Å; L104-L153 HydrophobicContact CG-CD1 4.21Å; L104-L154 PolarHBondContact N-O 3.2Å; L104-R155 WeakPolarHBondContact O-CA 3.47Å; L104-S156 PolarHBondContact O-N 3Å
105D89.3Confident89.6Confident18 Ų1854.9 Ų54.910%0.09627%0.266CS..  trans-78.595.5169.6-166.2-16.5000109.2G69 F107 K108 C113 S156G69-D105 PolarHBondContact O-N 2.99Å; D105-F107 PolarHBondContact OD1-N 3.41Å; D105-K108 PolarHBondContact OD1-N 3.05Å; D105-C113 WeakPolarHBondContact CB-O 3.47Å; D105-C113 PolarHBondContact OD2-N 3.3Å; D105-C113 VanDerWaalsContact OD2-N 3.14Å; D105-S156 WeakPolarHBondContact CA-OG 3.46Å; D105-S156 PolarHBondContact OD1-OG 2.85Å
106T86.3Confident89.8Confident64 Ų6447 Ų4739%0.39323%0.232SC..SBendtrans-80.5-23.3-179.3520000112.8L104 R155 S156L104-T106 PolarHBondContact O-N 3.07Å; L104-T106 VanDerWaalsContact O-N 3.15Å; T106-R155 HydrophobicContact CG2-CB 3.83Å; T106-R155 HydrophobicContact CG2-CG 3.84Å; T106-S156 PolarHBondContact N-OG 3.38Å; T106-S156 WeakPolarHBondContact OG1-CB 3.14Å; T106-S156 PolarHBondContact OG1-N 3.23Å; T106-S156 PolarHBondContact OG1-OG 3.05Å
107F83.9Confident89.9Confident52 Ų5248.2 Ų48.223%0.22824%0.237CC..SBendtrans-86.5-12179.3-58.4-35.1000112.1H31 C35 E38 D105 C109 S156H31-F107 PolarHBondContact CE1-O 2.94Å; H31-F107 PolarHBondContact NE2-O 2.83Å; C35-F107 HydrophobicContact CB-CB 4.32Å; C35-F107 VanDerWaalsContact SG-C 3.52Å; C35-F107 WeakPolarHBondContact SG-CB 3.46Å; C35-F107 PolarHBondContact SG-O 2.79Å; E38-F107 HydrophobicContact CB-CD2 4.49Å; E38-F107 HydrophobicContact CB-CE2 3.87Å; E38-F107 HydrophobicContact CB-CZ 4.23Å; D105-F107 PolarHBondContact OD1-N 3.41Å; F107-C109 VanDerWaalsContact C-N 3.31Å; F107-C109 PolarHBondContact O-N 2.72Å; F107-S156 PolarHBondContact N-OG 3.1Å
108K82.2Confident89.9Confident168 Ų16850 Ų5073%0.7325%0.249SC*.  trans5643.6176.7-57179-180175.90112.3D105D105-K108 PolarHBondContact OD1-N 3.05Å
109C81.3Confident90Very high4 Ų449.4 Ų49.43%0.02726%0.262CS..  trans-61.6157.9177.9-670000111.1C35 M36 F107 K111 C113C35-C109 HydrophobicContact CB-CB 4.09Å; C35-C109 WeakPolarHBondContact CB-SG 3.15Å; C35-C109 WeakPolarHBondContact SG-CA 3.14Å; C35-C109 WeakPolarHBondContact SG-CB 3.18Å; C35-C109 PolarHBondContact SG-N 3.02Å; C35-C109 CovalentContact SG-SG 2Å; C35-C109 PolarHBondContact SG-SG 2.51Å; M36-C109 HydrophobicContact SD-CB 4.24Å; F107-C109 VanDerWaalsContact C-N 3.31Å; F107-C109 PolarHBondContact O-N 2.72Å; C109-K111 WeakPolarHBondContact CB-O 3.4Å; C109-K111 PolarHBondContact O-N 2.94Å; C109-C113 HydrophobicContact CB-CB 4.35Å
110S82.3Confident90Very high72 Ų7250.2 Ų50.250%0.50327%0.269SS..SBendtrans-60.4-39.1168.672.50000111D32D32-S110 VanDerWaalsContact OD1-CB 3.24Å; D32-S110 WeakPolarHBondContact OD1-CB 3.3Å; D32-S110 PolarHBondContact OD1-N 2.82Å; D32-S110 PolarHBondContact OD1-OG 3.26Å; D32-S110 WeakPolarHBondContact OD2-CB 3.46Å; D32-S110 PolarHBondContact OD2-OG 3.36Å
111K83.9Confident90Very high124 Ų12450.3 Ų50.354%0.53927%0.269SS..SBendtrans-100.6149176.6-67.3176.9-174.8172.80110.9M36 C109 C113M36-K111 HydrophobicContact CE-CB 4.27Å; M36-K111 HydrophobicContact CE-CD 4.05Å; M36-K111 HydrophobicContact SD-CB 3.94Å; C109-K111 WeakPolarHBondContact CB-O 3.4Å; C109-K111 PolarHBondContact O-N 2.94Å; K111-C113 PolarHBondContact O-N 2.74Å; K111-C113 VanDerWaalsContact O-N 3.12Å
112P83.6Confident90.1Very high71 Ų7150.5 Ų50.546%0.46127%0.27SS..  trans-60.4118.9-177.623.9-33.5000111.8P114 D115P112-P114 CarbonylContact O-C 3.59Å; P112-D115 PolarHBondContact O-N 2.83Å
113C85.3Confident90.2Very high0 Ų050.5 Ų50.50%027%0.27CS..SBendtrans-112.8127.1171.9178.10000111C39 D105 C109 K111 S156C39-C113 HydrophobicContact CB-CB 3.92Å; C39-C113 WeakPolarHBondContact CB-SG 3.37Å; C39-C113 VanDerWaalsContact SG-CA 3.55Å; C39-C113 WeakPolarHBondContact SG-CB 3.48Å; C39-C113 CovalentContact SG-SG 2.01Å; C39-C113 PolarHBondContact SG-SG 3.39Å; D105-C113 WeakPolarHBondContact CB-O 3.47Å; D105-C113 PolarHBondContact OD2-N 3.3Å; D105-C113 VanDerWaalsContact OD2-N 3.14Å; C109-C113 HydrophobicContact CB-CB 4.35Å; K111-C113 PolarHBondContact O-N 2.74Å; K111-C113 VanDerWaalsContact O-N 3.12Å; C113-S156 VanDerWaalsContact SG-CB 3.59Å
114P89.1Confident90.3Very high10 Ų1050.6 Ų50.67%0.06527%0.27CS..SBendcis-70.2149.4-8.826.8-34.3000113.8R71 V103 P112 I116 V160R71-P114 PolarHBondContact NH1-O 2.79Å; R71-P114 PolarHBondContact NH2-O 2.83Å; V103-P114 HydrophobicContact CG1-CG 3.88Å; P112-P114 CarbonylContact O-C 3.59Å; P114-I116 HydrophobicContact CB-CG1 4.29Å; P114-I116 HydrophobicContact CG-CD1 3.96Å; P114-I116 HydrophobicContact CG-CG1 4.14Å; P114-I116 PolarHBondContact O-N 2.93Å; P114-V160 HydrophobicContact CB-CB 3.89Å; P114-V160 HydrophobicContact CB-CG1 3.82Å; P114-V160 HydrophobicContact CB-CG2 4.37Å; P114-V160 HydrophobicContact CG-CB 4.08Å; P114-V160 HydrophobicContact CG-CG1 4.03Å; P114-V160 HydrophobicContact CG-CG2 4.01Å
115D89.7Confident90.6Very high74 Ų7449.5 Ų49.540%0.39627%0.265SS..  trans-78.784.7178.3-177.921.8000111.4P112 K117 Y122P112-D115 PolarHBondContact O-N 2.83Å; D115-K117 WeakPolarHBondContact OD2-CE 3.38Å; D115-Y122 PolarHBondContact O-OH 3.24Å
116I93.6Very high90.9Very high10 Ų1048.7 Ų48.75%0.05126%0.26CS..  trans-95.2126.3179.4-59179.6000109V60 I63 I73 V103 P114 Y122 V160V60-I116 HydrophobicContact CB-CG2 4.4Å; V60-I116 HydrophobicContact CG1-CG2 4.08Å; V60-I116 HydrophobicContact CG2-CG2 3.5Å; V60-I116 VanDerWaalsContact CG2-CG2 3.5Å; I63-I116 HydrophobicContact CD1-CG2 4.31Å; I73-I116 HydrophobicContact CD1-CD1 3.58Å; I73-I116 HydrophobicContact CD1-CG2 4.31Å; V103-I116 HydrophobicContact CG1-CD1 4.44Å; V103-I116 HydrophobicContact CG2-CD1 4.04Å; P114-I116 HydrophobicContact CB-CG1 4.29Å; P114-I116 HydrophobicContact CG-CD1 3.96Å; P114-I116 HydrophobicContact CG-CG1 4.14Å; P114-I116 PolarHBondContact O-N 2.93Å; I116-Y122 HydrophobicContact CG2-CE2 4.26Å; I116-V160 HydrophobicContact CD1-CG1 4.02Å; I116-V160 HydrophobicContact CG1-CG1 3.97Å
117K95.3Very high91.4Very high107 Ų10746.9 Ų46.947%0.46525%0.247SC..  trans-113.5140.9178.9-53.5-163.4-168.2-179.10110.8V60 D115 A120 Y122 R162V60-K117 WeakPolarHBondContact CB-O 3.33Å; D115-K117 WeakPolarHBondContact OD2-CE 3.38Å; K117-A120 HydrophobicContact CB-CB 4.48Å; K117-A120 PolarHBondContact O-N 2.79Å; K117-Y122 PolarHBondContact N-OH 3.13Å; K117-Y122 VanDerWaalsContact N-OH 3.1Å; K117-R162 VanDerWaalsContact CG-NH2 3.34Å
118L96.7Very high91.9Very high110 Ų11044.5 Ų44.558%0.57624%0.237SC*.THydrogen-bonded Turntrans-56.9143.4173.5-160.572.1000110.7V60 H61 I63 A120V60-L118 HydrophobicContact CG1-CD1 4.29Å; H61-L118 VanDerWaalsContact O-CD1 3.29Å; H61-L118 WeakPolarHBondContact O-CD1 3.3Å; I63-L118 HydrophobicContact CD1-CB 4.43Å; I63-L118 HydrophobicContact CG1-CD1 4.15Å; L118-A120 PolarHBondContact O-N 3.43Å
119G96.7Very high92.3Very high56 Ų5637.6 Ų37.658%0.57721%0.206SC*.THydrogen-bonded Turntrans72.3-9178.400000115.7V60V60-G119 WeakPolarHBondContact O-CA 3.44Å; V60-G119 PolarHBondContact O-N 3.38Å
120A97.2Very high92.7Very high16 Ų1640 Ų4013%0.13222%0.217CC..  trans-87.6146.4177.600000111.8V60 K117 L118 Y122V60-A120 PolarHBondContact N-O 3.02Å; K117-A120 HydrophobicContact CB-CB 4.48Å; K117-A120 PolarHBondContact O-N 2.79Å; L118-A120 PolarHBondContact O-N 3.43Å; A120-Y122 HydrophobicContact CB-CD2 4.26Å; A120-Y122 HydrophobicContact CB-CE2 3.56Å; A120-Y122 WeakPolarHBondContact O-CD2 3.42Å
121R97.2Very high92.5Very high78 Ų7846.9 Ų46.929%0.29423%0.232SC..EExtended strand (participates in β ladder)trans-87.1130.9175.8-162.8177.8-172.8175.92.7110.7N57 G58 I59 D80 F163N57-R121 PolarHBondContact OD1-NE 2.97Å; N57-R121 PolarHBondContact OD1-NH2 3.05Å; G58-R121 CarbonylContact O-C 3.51Å; G58-R121 VanDerWaalsContact O-CA 3.3Å; G58-R121 WeakPolarHBondContact O-CA 3.38Å; I59-R121 HydrophobicContact CG1-CB 4.02Å; I59-R121 HydrophobicContact CG1-CG 4.06Å; D80-R121 IonicContact OD2-NH2 3.1Å; R121-F163 HydrophobicContact CB-CB 3.85Å; R121-F163 HydrophobicContact CB-CG 4.49Å; R121-F163 HydrophobicContact CG-CB 3.76Å; R121-F163 HydrophobicContact CG-CD2 4.35Å; R121-F163 HydrophobicContact CG-CG 4.05Å; R121-F163 WeakPolarHBondContact O-CB 3.47Å; R121-F163 PolarHBondContact O-N 3.26Å
122Y97.5Very high91.9Very high5 Ų552.1 Ų52.12%0.0225%0.249CC..EExtended strand (participates in β ladder)trans-126.3155.2179.1-72.5-99.7000111.1N57 G58 V60 D115 I116 K117 A120 V160 K161 R162N57-Y122 CarbonylContact C-O 3.52Å; N57-Y122 WeakPolarHBondContact CA-O 3.36Å; G58-Y122 PolarHBondContact N-O 3.4Å; G58-Y122 PolarHBondContact O-N 3.41Å; V60-Y122 HydrophobicContact CG2-CD2 3.7Å; V60-Y122 HydrophobicContact CG2-CE2 3.99Å; D115-Y122 PolarHBondContact O-OH 3.24Å; I116-Y122 HydrophobicContact CG2-CE2 4.26Å; K117-Y122 PolarHBondContact N-OH 3.13Å; K117-Y122 VanDerWaalsContact N-OH 3.1Å; A120-Y122 HydrophobicContact CB-CD2 4.26Å; A120-Y122 HydrophobicContact CB-CE2 3.56Å; A120-Y122 WeakPolarHBondContact O-CD2 3.42Å; Y122-V160 HydrophobicContact CD1-CG1 4.1Å; Y122-K161 CarbonylContact C-O 3.41Å; Y122-K161 WeakPolarHBondContact CA-O 3.37Å; Y122-K161 WeakPolarHBondContact CD1-O 3.11Å; Y122-R162 HydrophobicContact CD1-CG 4.07Å; Y122-R162 HydrophobicContact CE1-CB 4.47Å; Y122-R162 HydrophobicContact CE1-CG 3.53Å; Y122-R162 PolarHBondContact OH-NH2 3.17Å
123I97.4Very high91.3Very high0 Ų053 Ų530%024%0.243CC..EExtended strand (participates in β ladder)trans-102.3122160.8-62.8172000106.1V56 N57 Y83 M125 Y159 K161 F163 R167 H168V56-I123 WeakPolarHBondContact O-CA 3.25Å; N57-I123 HydrophobicContact CB-CG1 3.9Å; Y83-I123 HydrophobicContact CE2-CG1 4.42Å; Y83-I123 HydrophobicContact CE2-CG2 3.96Å; I123-M125 HydrophobicContact CG2-CE 3.81Å; I123-M125 HydrophobicContact CG2-CG 4.5Å; I123-Y159 HydrophobicContact CB-CE1 4.15Å; I123-Y159 HydrophobicContact CG2-CD1 4.19Å; I123-Y159 HydrophobicContact CG2-CE1 3.81Å; I123-K161 PolarHBondContact N-O 2.74Å; I123-K161 PolarHBondContact O-N 3.06Å; I123-F163 HydrophobicContact CD1-CD2 4.12Å; I123-F163 HydrophobicContact CG1-CD2 3.99Å; I123-R167 HydrophobicContact CD1-CB 3.78Å; I123-H168 HydrophobicContact CD1-CB 4.41Å
124V97.1Very high90.3Very high1 Ų161.9 Ų61.91%0.00628%0.284CS..EExtended strand (participates in β ladder)trans-122.4132.8-179.5-62.10000109.7F54 A55 V56 L75 L101 L154 Y159 V160F54-V124 HydrophobicContact CE2-CG2 4.04Å; A55-V124 CarbonylContact C-O 3.59Å; A55-V124 WeakPolarHBondContact CA-O 3.35Å; V56-V124 HydrophobicContact CG2-CG2 3.43Å; V56-V124 VanDerWaalsContact CG2-CG2 3.43Å; V56-V124 PolarHBondContact N-O 3.28Å; V56-V124 PolarHBondContact O-N 3.3Å; V56-V124 VanDerWaalsContact O-O 3.13Å; L75-V124 HydrophobicContact CD1-CG1 4.25Å; L75-V124 HydrophobicContact CD1-CG2 3.56Å; L101-V124 HydrophobicContact CD1-CG2 3.97Å; V124-L154 HydrophobicContact CB-CD1 4.27Å; V124-L154 HydrophobicContact CB-CD2 4.46Å; V124-L154 HydrophobicContact CG1-CD1 4.19Å; V124-Y159 CarbonylContact C-O 3.53Å; V124-Y159 VanDerWaalsContact CA-O 3.3Å; V124-Y159 WeakPolarHBondContact CA-O 3.28Å; V124-V160 HydrophobicContact CG1-CG1 4.14Å; V124-V160 HydrophobicContact CG1-CG2 4.23Å
125M97.4Very high89.7Confident0 Ų062.1 Ų62.10%028%0.284CS..EExtended strand (participates in β ladder)trans-133.9126.4173.1-37.9179.6179.500108.5E45 S52 F54 A55 I123 N158 Y159 A171E45-M125 HydrophobicContact CB-CE 4.48Å; S52-M125 VanDerWaalsContact OG-CB 3.3Å; S52-M125 WeakPolarHBondContact OG-CB 3.26Å; F54-M125 CarbonylContact O-C 3.59Å; F54-M125 VanDerWaalsContact O-CA 3.26Å; F54-M125 WeakPolarHBondContact O-CA 3.39Å; A55-M125 HydrophobicContact CB-CB 4.05Å; A55-M125 HydrophobicContact CB-CG 3.71Å; A55-M125 HydrophobicContact CB-SD 4.23Å; I123-M125 HydrophobicContact CG2-CE 3.81Å; I123-M125 HydrophobicContact CG2-CG 4.5Å; M125-N158 WeakPolarHBondContact O-CB 3.31Å; M125-Y159 HydrophobicContact CE-CD1 4.23Å; M125-Y159 HydrophobicContact CE-CE1 4.3Å; M125-Y159 HydrophobicContact CG-CD1 3.98Å; M125-Y159 HydrophobicContact CG-CG 4.17Å; M125-Y159 PolarHBondContact N-O 2.86Å; M125-Y159 PolarHBondContact O-N 3.45Å; M125-Y159 HydrophobicContact SD-CD1 4.28Å; M125-Y159 HydrophobicContact SD-CG 4.18Å; M125-A171 HydrophobicContact CE-CB 4.03Å
126G96Very high89.3Confident0 Ų062.7 Ų62.70%029%0.292CS..EExtended strand (participates in β ladder)trans-159.4-160.9-169.700000113.8S52 E53 F54S52-G126 CarbonylContact C-O 3.55Å; S52-G126 WeakPolarHBondContact CA-O 3.37Å; S52-G126 WeakPolarHBondContact CB-O 3.47Å; S52-G126 PolarHBondContact OG-N 3.03Å; E53-G126 PolarHBondContact N-O 2.75Å; F54-G126 WeakPolarHBondContact CD1-O 3.4Å; F54-G126 VanDerWaalsContact CE1-CA 3.49Å; F54-G126 PolarHBondContact N-O 2.9Å; F54-G126 VanDerWaalsContact N-O 3.14Å; F54-G126 PolarHBondContact O-N 3.49Å
127Q95.2Very high88.5Confident26 Ų2668 Ų6812%0.12132%0.321CS..EExtended strand (participates in β ladder)trans-107.4156.6-174.8-60.5-64.6-49.700110.6Y51 E53 F54 L153Y51-Q127 PolarHBondContact O-NE2 3.48Å; E53-Q127 PolarHBondContact OE2-OE1 3.46Å; F54-Q127 WeakPolarHBondContact CD1-O 3.34Å; F54-Q127 WeakPolarHBondContact CE1-O 3.25Å; Q127-L153 HydrophobicContact CB-CB 4.47Å; Q127-L153 PolarHBondContact N-O 3Å; Q127-L153 WeakPolarHBondContact O-CA 3.37Å; Q127-L153 WeakPolarHBondContact O-CB 3.5Å; Q127-L153 PolarHBondContact O-N 2.9Å
128I94.5Very high87.8Confident3 Ų369.3 Ų69.32%0.01533%0.333CS..EExtended strand (participates in β ladder)trans-90.6137175-65.6169000108.3E53 F54 R87 L88 H130E53-I128 HydrophobicContact CB-CB 4.46Å; E53-I128 HydrophobicContact CB-CD1 4.01Å; E53-I128 HydrophobicContact CB-CG1 3.9Å; E53-I128 PolarHBondContact OE2-N 2.82Å; F54-I128 HydrophobicContact CB-CG1 4.45Å; F54-I128 HydrophobicContact CD1-CG1 4.18Å; R87-I128 HydrophobicContact CB-CD1 4.16Å; L88-I128 HydrophobicContact CB-CD1 4.47Å; I128-H130 PolarHBondContact O-CD2 3.45Å; I128-H130 PolarHBondContact O-N 3.3Å
129Y91.8Very high87Confident22 Ų2265 Ų659%0.08631%0.31CS..  trans-73117.3173.1178.1-115.6000109.6L135 L147 P149 G150 D151Y129-L135 HydrophobicContact CD2-CD1 4.08Å; Y129-L135 HydrophobicContact CE2-CD1 3.33Å; Y129-L135 HydrophobicContact CE2-CG 3.8Å; Y129-L147 HydrophobicContact CD1-CD1 4.49Å; Y129-L147 HydrophobicContact CD1-CD2 3.42Å; Y129-L147 VanDerWaalsContact CD1-CD2 3.42Å; Y129-L147 HydrophobicContact CD1-CG 3.6Å; Y129-L147 HydrophobicContact CD2-CD2 3.96Å; Y129-L147 HydrophobicContact CE1-CD2 3.56Å; Y129-L147 HydrophobicContact CE1-CG 3.88Å; Y129-L147 HydrophobicContact CE2-CD2 4.11Å; Y129-L147 HydrophobicContact CG-CD2 3.63Å; Y129-L147 HydrophobicContact CG-CG 4.18Å; Y129-P149 WeakPolarHBondContact O-CA 3.38Å; Y129-G150 PolarHBondContact O-N 2.63Å; Y129-D151 VanDerWaalsContact CB-O 3.3Å; Y129-D151 WeakPolarHBondContact CB-O 3.35Å; Y129-D151 PolarHBondContact N-O 2.94Å
130H88.6Confident86.2Confident55 Ų5565.5 Ų65.526%0.25530%0.299SS..  trans-107.1141.1176.8-63.3-81.6000109.5E53 I128 R132 R133E53-H130 IonicContact OE1-CD2 2.85Å; E53-H130 IonicContact OE1-CE1 3.48Å; E53-H130 IonicContact OE1-NE2 3.65Å; E53-H130 PolarHBondContact OE1-NE2 3.46Å; E53-H130 IonicContact OE2-NE2 3.72Å; I128-H130 PolarHBondContact O-CD2 3.45Å; I128-H130 PolarHBondContact O-N 3.3Å; H130-R132 PolarHBondContact O-N 3.02Å; H130-R132 VanDerWaalsContact O-N 3.07Å; H130-R133 HydrophobicContact CB-CG 4.28Å; H130-R133 PolarHBondContact O-N 3.19Å
131R78.8Confident85.5Confident217 Ų21770.2 Ų70.282%0.81933%0.327SS*.THydrogen-bonded Turntrans-56.6-28178.1-168.1172.7-179.1163.40.4113.5P149R131-P149 HydrophobicContact CB-CB 4.46Å; R131-P149 HydrophobicContact CB-CG 3.93Å
132R71.1Confident84.8Confident234 Ų23469.5 Ų69.588%0.88333%0.329SS*.THydrogen-bonded Turntrans-82.8-12.8-179.6-59.3-176.6-173.4-177.31.1113.8H130 H134H130-R132 PolarHBondContact O-N 3.02Å; H130-R132 VanDerWaalsContact O-N 3.07Å; R132-H134 PolarHBondContact O-N 3.25Å
133R72.2Confident84.1Confident89 Ų8969.7 Ų69.734%0.33633%0.33SS..SBendtrans-79.4117.3176.5-75.6-168.3-170.1172.211.8108.4E53 H130 L135E53-R133 IonicContact OE1-NH2 2.81Å; E53-R133 IonicContact OE2-CZ 3.51Å; E53-R133 IonicContact OE2-NH1 3.23Å; E53-R133 IonicContact OE2-NH2 3.27Å; E53-R133 PolarHBondContact OE2-NH2 2.97Å; H130-R133 HydrophobicContact CB-CG 4.28Å; H130-R133 PolarHBondContact O-N 3.19Å; R133-L135 PolarHBondContact O-N 2.85Å
134H63.2Low83.2Confident187 Ų18773.2 Ų73.287%0.86636%0.359SS*.  trans-63.2108.6174.7-70.6-81.5000109.5R132R132-H134 PolarHBondContact O-N 3.25Å
135L77.3Confident82.3Confident14 Ų1476.8 Ų76.87%0.07340%0.396CS..  trans-84.5149.8156-68.1171.6000107.5L102 L104 Y129 R133 N137 L139 L140 L143 L147L102-L135 HydrophobicContact CD2-CD1 4.37Å; L104-L135 HydrophobicContact CD1-CD2 4.27Å; Y129-L135 HydrophobicContact CD2-CD1 4.08Å; Y129-L135 HydrophobicContact CE2-CD1 3.33Å; Y129-L135 HydrophobicContact CE2-CG 3.8Å; R133-L135 PolarHBondContact O-N 2.85Å; L135-N137 PolarHBondContact O-N 3.49Å; L135-L139 HydrophobicContact CB-CD2 4.28Å; L135-L139 HydrophobicContact CD1-CD2 4.4Å; L135-L139 HydrophobicContact CD2-CD2 3.89Å; L135-L139 HydrophobicContact CG-CD2 4.42Å; L135-L140 HydrophobicContact CB-CD2 3.86Å; L135-L140 HydrophobicContact CB-CG 4.06Å; L135-L140 HydrophobicContact CD1-CD2 4.15Å; L135-L143 HydrophobicContact CD1-CD1 3.97Å; L135-L147 HydrophobicContact CD1-CD2 4.21Å
136P80.1Confident81.7Confident86 Ų8680.6 Ų80.656%0.55841%0.413SS*.  trans-52.7141.5172.4-23.933.1000111D138 L139 L140P136-D138 VanDerWaalsContact C-N 3.25Å; P136-D138 PolarHBondContact O-N 3.38Å; P136-L139 HydrophobicContact CB-CB 4.45Å; P136-L139 WeakPolarHBondContact O-CA 3.49Å; P136-L139 WeakPolarHBondContact O-CB 3.44Å; P136-L139 PolarHBondContact O-N 2.85Å; P136-L140 PolarHBondContact O-N 2.87Å; P136-L140 VanDerWaalsContact O-N 3.08Å
137N78.4Confident81.3Confident123 Ų12381.6 Ų81.666%0.65842%0.418SS*.Hα-helixtrans-55.3-40.7-176.1-74.4-17.4000112.6L135 L139 L140 T141L135-N137 PolarHBondContact O-N 3.49Å; N137-L139 PolarHBondContact O-N 3.41Å; N137-L140 WeakPolarHBondContact O-CB 3.5Å; N137-L140 PolarHBondContact O-N 2.99Å; N137-T141 PolarHBondContact O-N 2.99Å; N137-T141 PolarHBondContact O-OG1 3.44Å
138D79.6Confident81Confident134 Ų13485.6 Ų85.672%0.71744%0.435SS*.Hα-helixtrans-56.1-36.6176.4-57.1-13.5000112.5P136 L142P136-D138 VanDerWaalsContact C-N 3.25Å; P136-D138 PolarHBondContact O-N 3.38Å; D138-L142 PolarHBondContact O-N 2.85Å
139L80.5Confident80.8Confident18 Ų1889 Ų899%0.09446%0.457CS..Hα-helixtrans-78.1-34.2179.6-173.961.2000111.3V70 L104 L135 P136 N137 L142 L143V70-L139 HydrophobicContact CB-CD1 4.36Å; V70-L139 HydrophobicContact CG1-CD1 3.55Å; V70-L139 HydrophobicContact CG2-CD1 3.88Å; L104-L139 HydrophobicContact CD1-CD2 4Å; L104-L139 HydrophobicContact CD2-CD1 4.3Å; L104-L139 HydrophobicContact CD2-CD2 3.78Å; L135-L139 HydrophobicContact CB-CD2 4.28Å; L135-L139 HydrophobicContact CD1-CD2 4.4Å; L135-L139 HydrophobicContact CD2-CD2 3.89Å; L135-L139 HydrophobicContact CG-CD2 4.42Å; P136-L139 HydrophobicContact CB-CB 4.45Å; P136-L139 WeakPolarHBondContact O-CA 3.49Å; P136-L139 WeakPolarHBondContact O-CB 3.44Å; P136-L139 PolarHBondContact O-N 2.85Å; N137-L139 PolarHBondContact O-N 3.41Å; L139-L142 HydrophobicContact CD1-CD2 4.36Å; L139-L142 PolarHBondContact O-N 3.21Å; L139-L143 HydrophobicContact CD1-CD1 3.82Å; L139-L143 HydrophobicContact CD1-CG 4.13Å; L139-L143 HydrophobicContact CD2-CD1 4.28Å; L139-L143 HydrophobicContact CG-CD1 3.61Å; L139-L143 HydrophobicContact CG-CG 4.31Å; L139-L143 VanDerWaalsContact O-CB 3.27Å; L139-L143 WeakPolarHBondContact O-CB 3.3Å; L139-L143 WeakPolarHBondContact O-CD1 3.49Å; L139-L143 WeakPolarHBondContact O-CG 3.36Å; L139-L143 PolarHBondContact O-N 2.81Å
140L79.5Confident80.8Confident67 Ų6788.5 Ų88.535%0.35146%0.459SS..Hα-helixtrans-63-43.3174.6-69.2174.8000111.6L135 P136 N137 L142 L143 A144L135-L140 HydrophobicContact CB-CD2 3.86Å; L135-L140 HydrophobicContact CB-CG 4.06Å; L135-L140 HydrophobicContact CD1-CD2 4.15Å; P136-L140 PolarHBondContact O-N 2.87Å; P136-L140 VanDerWaalsContact O-N 3.08Å; N137-L140 WeakPolarHBondContact O-CB 3.5Å; N137-L140 PolarHBondContact O-N 2.99Å; L140-L142 VanDerWaalsContact C-N 3.34Å; L140-L142 PolarHBondContact O-N 2.89Å; L140-L143 CarbonylContact O-C 3.54Å; L140-L143 PolarHBondContact O-N 2.84Å; L140-A144 PolarHBondContact O-N 3.14Å
141T82.3Confident81.1Confident115 Ų11586 Ų8671%0.70645%0.447SS*.Hα-helixtrans-62.2-43176.3-53.20000111.3N137 L143 A144N137-T141 PolarHBondContact O-N 2.99Å; N137-T141 PolarHBondContact O-OG1 3.44Å; T141-L143 VanDerWaalsContact C-N 3.3Å; T141-L143 PolarHBondContact O-N 2.84Å; T141-A144 WeakPolarHBondContact O-CB 3.47Å; T141-A144 PolarHBondContact O-N 2.82Å
142L82.9Confident81.9Confident64 Ų6475.6 Ų75.634%0.33541%0.408SS..Hα-helixtrans-65.8-32.4177.7-172.268.8000113L66 K67 V70 D138 L139 L140L66-L142 HydrophobicContact CB-CD1 4.26Å; L66-L142 HydrophobicContact CB-CD2 3.65Å; L66-L142 HydrophobicContact CB-CG 3.9Å; L66-L142 HydrophobicContact CD1-CD2 4.44Å; L66-L142 HydrophobicContact CD1-CG 4.3Å; K67-L142 HydrophobicContact CB-CD2 3.84Å; V70-L142 HydrophobicContact CG1-CD2 4.25Å; D138-L142 PolarHBondContact O-N 2.85Å; L139-L142 HydrophobicContact CD1-CD2 4.36Å; L139-L142 PolarHBondContact O-N 3.21Å; L140-L142 VanDerWaalsContact C-N 3.34Å; L140-L142 PolarHBondContact O-N 2.89Å
143L83.1Confident83Confident8 Ų864.6 Ų64.64%0.04237%0.367CS..THydrogen-bonded Turntrans-94.12.4-178.2-66.9171.3000113.7L66 L72 L102 L135 L139 L140 T141 G145 K146 L147L66-L143 HydrophobicContact CD1-CD2 3.3Å; L66-L143 HydrophobicContact CD1-CG 4.34Å; L72-L143 HydrophobicContact CD1-CD2 4.14Å; L72-L143 HydrophobicContact CD2-CD2 4.23Å; L72-L143 HydrophobicContact CG-CD2 4.25Å; L102-L143 HydrophobicContact CD1-CD1 3.99Å; L102-L143 HydrophobicContact CD1-CD2 3.63Å; L102-L143 HydrophobicContact CD1-CG 4.46Å; L102-L143 HydrophobicContact CD2-CD1 3.78Å; L135-L143 HydrophobicContact CD1-CD1 3.97Å; L139-L143 HydrophobicContact CD1-CD1 3.82Å; L139-L143 HydrophobicContact CD1-CG 4.13Å; L139-L143 HydrophobicContact CD2-CD1 4.28Å; L139-L143 HydrophobicContact CG-CD1 3.61Å; L139-L143 HydrophobicContact CG-CG 4.31Å; L139-L143 VanDerWaalsContact O-CB 3.27Å; L139-L143 WeakPolarHBondContact O-CB 3.3Å; L139-L143 WeakPolarHBondContact O-CD1 3.49Å; L139-L143 WeakPolarHBondContact O-CG 3.36Å; L139-L143 PolarHBondContact O-N 2.81Å; L140-L143 CarbonylContact O-C 3.54Å; L140-L143 PolarHBondContact O-N 2.84Å; T141-L143 VanDerWaalsContact C-N 3.3Å; T141-L143 PolarHBondContact O-N 2.84Å; L143-G145 PolarHBondContact O-N 2.7Å; L143-K146 PolarHBondContact O-N 2.89Å; L143-L147 HydrophobicContact CB-CB 4.3Å; L143-L147 HydrophobicContact CD1-CD2 4.04Å; L143-L147 HydrophobicContact CD2-CB 4.48Å; L143-L147 PolarHBondContact O-N 2.99Å
144A76.8Confident84Confident74 Ų7460.4 Ų60.461%0.61235%0.351SS*.THydrogen-bonded Turntrans-54.4114.5-17400000110.9L140 T141 K146L140-A144 PolarHBondContact O-N 3.14Å; T141-A144 WeakPolarHBondContact O-CB 3.47Å; T141-A144 PolarHBondContact O-N 2.82Å; A144-K146 PolarHBondContact O-N 3.04Å
145G79Confident85.4Confident77 Ų7757.1 Ų57.179%0.79433%0.331SS*.THydrogen-bonded Turntrans79.4-14.9-177.600000115.7L143L143-G145 PolarHBondContact O-N 2.7Å
146K85.1Confident86Confident80 Ų8056.7 Ų56.735%0.34833%0.329SS..THydrogen-bonded Turntrans-88.7-23-179.8-65.8-168175.5-167.50114.1D64 L66 L72 R100 L143 A144D64-K146 IonicContact OD1-NZ 3.95Å; D64-K146 IonicContact OD2-NZ 2.76Å; D64-K146 PolarHBondContact OD2-NZ 2.95Å; L66-K146 HydrophobicContact CD2-CD 3.85Å; L72-K146 HydrophobicContact CD1-CB 3.6Å; L72-K146 HydrophobicContact CD1-CD 3.92Å; L72-K146 HydrophobicContact CD1-CG 4.39Å; R100-K146 PolarHBondContact NH1-O 3.12Å; R100-K146 PolarHBondContact NH2-O 2.95Å; L143-K146 PolarHBondContact O-N 2.89Å; A144-K146 PolarHBondContact O-N 3.04Å
147L86.9Confident86.5Confident20 Ų2055 Ų5511%0.10532%0.319CS..  trans-117.2135.2179-171.371.2000110.8L72 L102 Y129 L135 L143 D151L72-L147 HydrophobicContact CD2-CD1 4.08Å; L102-L147 HydrophobicContact CB-CD1 3.97Å; L102-L147 HydrophobicContact CB-CD2 4.34Å; L102-L147 HydrophobicContact CD2-CD2 3.89Å; Y129-L147 HydrophobicContact CD1-CD1 4.49Å; Y129-L147 HydrophobicContact CD1-CD2 3.42Å; Y129-L147 VanDerWaalsContact CD1-CD2 3.42Å; Y129-L147 HydrophobicContact CD1-CG 3.6Å; Y129-L147 HydrophobicContact CD2-CD2 3.96Å; Y129-L147 HydrophobicContact CE1-CD2 3.56Å; Y129-L147 HydrophobicContact CE1-CG 3.88Å; Y129-L147 HydrophobicContact CE2-CD2 4.11Å; Y129-L147 HydrophobicContact CG-CD2 3.63Å; Y129-L147 HydrophobicContact CG-CG 4.18Å; L135-L147 HydrophobicContact CD1-CD2 4.21Å; L143-L147 HydrophobicContact CB-CB 4.3Å; L143-L147 HydrophobicContact CD1-CD2 4.04Å; L143-L147 HydrophobicContact CD2-CB 4.48Å; L143-L147 PolarHBondContact O-N 2.99Å; L147-D151 HydrophobicContact CD1-CB 3.58Å; L147-D151 HydrophobicContact CG-CB 4.46Å
148K89.1Confident87.3Confident111 Ų11149.5 Ų49.548%0.48329%0.29SS..  trans-116.2146.3-180-62.2-177.7-177.8179.50111G150 D151K148-G150 PolarHBondContact O-N 3.38Å; K148-D151 PolarHBondContact N-OD2 2.84Å; K148-D151 VanDerWaalsContact O-CB 3.25Å; K148-D151 WeakPolarHBondContact O-CB 3.15Å; K148-D151 PolarHBondContact O-N 3.22Å
149P90.1Very high88.1Confident74 Ų7443.1 Ų43.148%0.48126%0.256SS..THydrogen-bonded Turntrans-54.9132.1168.4-23.534.4000110.4Y129 R131Y129-P149 WeakPolarHBondContact O-CA 3.38Å; R131-P149 HydrophobicContact CB-CB 4.46Å; R131-P149 HydrophobicContact CB-CG 3.93Å
150G92.2Very high88.8Confident12 Ų1243 Ų4312%0.12426%0.256CS..THydrogen-bonded Turntrans99.2-20.1-171.600000114L88 Y89 Y129 K148L88-G150 WeakPolarHBondContact CA-O 3.43Å; Y89-G150 PolarHBondContact N-O 2.77Å; Y129-G150 PolarHBondContact O-N 2.63Å; K148-G150 PolarHBondContact O-N 3.38Å
151D94.2Very high89.6Confident1 Ų140.8 Ų40.81%0.00524%0.243CC..SBendtrans-62.5152.5169.2-71.7-17.2000109.8R100 Y129 L147 K148R100-D151 IonicContact NH1-OD2 2.82Å; R100-D151 PolarHBondContact NH1-OD2 3.35Å; Y129-D151 VanDerWaalsContact CB-O 3.3Å; Y129-D151 WeakPolarHBondContact CB-O 3.35Å; Y129-D151 PolarHBondContact N-O 2.94Å; L147-D151 HydrophobicContact CD1-CB 3.58Å; L147-D151 HydrophobicContact CG-CB 4.46Å; K148-D151 PolarHBondContact N-OD2 2.84Å; K148-D151 VanDerWaalsContact O-CB 3.25Å; K148-D151 WeakPolarHBondContact O-CB 3.15Å; K148-D151 PolarHBondContact O-N 3.22Å
152G95.6Very high90.2Very high0 Ų040.6 Ų40.60%023%0.23CC..EExtended strand (participates in β ladder)trans-79.6154179.500000112.5R100 L101 L102R100-G152 PolarHBondContact O-N 3.36Å; L101-G152 CarbonylContact C-O 3.35Å; L101-G152 VanDerWaalsContact CA-O 3.3Å; L101-G152 WeakPolarHBondContact CA-O 3.3Å; L101-G152 VanDerWaalsContact CD2-CA 3.47Å; L102-G152 PolarHBondContact N-O 2.77Å
153L94.2Very high90.8Very high3 Ų340.4 Ų40.42%0.01623%0.226CC..EExtended strand (participates in β ladder)trans-126.1124.3178.7178.265.2000109.3L102 L104 Q127L102-L153 HydrophobicContact CB-CD1 4.04Å; L102-L153 HydrophobicContact CD2-CD1 3.63Å; L102-L153 HydrophobicContact CG-CD1 4.05Å; L104-L153 HydrophobicContact CD1-CD1 3.9Å; L104-L153 HydrophobicContact CG-CD1 4.21Å; Q127-L153 HydrophobicContact CB-CB 4.47Å; Q127-L153 PolarHBondContact N-O 3Å; Q127-L153 WeakPolarHBondContact O-CA 3.37Å; Q127-L153 WeakPolarHBondContact O-CB 3.5Å; Q127-L153 PolarHBondContact O-N 2.9Å
154L94.7Very high91.4Very high0 Ų043.8 Ų43.80%024%0.244CC..EExtended strand (participates in β ladder)trans-120.8129.1177.5-65.1175.7000109.6F54 L101 L102 V103 L104 V124 N158 V160F54-L154 HydrophobicContact CZ-CD2 3.97Å; F54-L154 HydrophobicContact CZ-CG 4.39Å; L101-L154 HydrophobicContact CB-CD1 4.35Å; L101-L154 HydrophobicContact CD1-CD1 3.87Å; L102-L154 PolarHBondContact O-N 2.9Å; V103-L154 CarbonylContact C-O 3.57Å; V103-L154 WeakPolarHBondContact CA-O 3.29Å; V103-L154 HydrophobicContact CG2-CB 4.28Å; V103-L154 HydrophobicContact CG2-CD1 4.14Å; L104-L154 PolarHBondContact N-O 3.2Å; V124-L154 HydrophobicContact CB-CD1 4.27Å; V124-L154 HydrophobicContact CB-CD2 4.46Å; V124-L154 HydrophobicContact CG1-CD1 4.19Å; L154-N158 HydrophobicContact CD2-CB 4.09Å; L154-V160 HydrophobicContact CD1-CG2 3.96Å; L154-V160 HydrophobicContact CD2-CG2 4.08Å; L154-V160 HydrophobicContact CG-CG2 4.48Å
155R92.3Very high92.3Very high119 Ų11948.6 Ų48.645%0.44925%0.252SS..EExtended strand (participates in β ladder)trans-108.5166169.3-64178.8177174.2-1.8109.4L104 T106 S157 N158L104-R155 WeakPolarHBondContact O-CA 3.47Å; T106-R155 HydrophobicContact CG2-CB 3.83Å; T106-R155 HydrophobicContact CG2-CG 3.84Å; R155-S157 PolarHBondContact O-N 3.27Å; R155-S157 VanDerWaalsContact O-N 3.13Å; R155-N158 WeakPolarHBondContact CB-OD1 3.36Å; R155-N158 PolarHBondContact N-OD1 2.75Å; R155-N158 WeakPolarHBondContact O-CB 3.2Å; R155-N158 PolarHBondContact O-N 2.7Å
156S90Very high93.1Very high4 Ų453.6 Ų53.63%0.02825%0.246CC..THydrogen-bonded Turntrans-57.9-28.7177.1-50.50000113.1K43 L104 D105 T106 F107 C113K43-S156 PolarHBondContact NZ-O 2.81Å; L104-S156 PolarHBondContact O-N 3Å; D105-S156 WeakPolarHBondContact CA-OG 3.46Å; D105-S156 PolarHBondContact OD1-OG 2.85Å; T106-S156 PolarHBondContact N-OG 3.38Å; T106-S156 WeakPolarHBondContact OG1-CB 3.14Å; T106-S156 PolarHBondContact OG1-N 3.23Å; T106-S156 PolarHBondContact OG1-OG 3.05Å; F107-S156 PolarHBondContact N-OG 3.1Å; C113-S156 VanDerWaalsContact SG-CB 3.59Å
157S90.9Very high93.6Very high52 Ų5252.2 Ų52.236%0.36424%0.239SC..THydrogen-bonded Turntrans-76.1-19.1175.661.60000113.9K43 Y48 R155K43-S157 PolarHBondContact NZ-O 2.63Å; Y48-S157 WeakPolarHBondContact CE1-O 3.4Å; Y48-S157 PolarHBondContact OH-O 2.9Å; R155-S157 PolarHBondContact O-N 3.27Å; R155-S157 VanDerWaalsContact O-N 3.13Å
158N94.7Very high94Very high6 Ų653.1 Ų53.13%0.03224%0.242CC..SBendtrans-70.3164.6-177.9-69.9129000113.3K43 M125 L154 R155 V160K43-N158 PolarHBondContact NZ-O 3.23Å; M125-N158 WeakPolarHBondContact O-CB 3.31Å; L154-N158 HydrophobicContact CD2-CB 4.09Å; R155-N158 WeakPolarHBondContact CB-OD1 3.36Å; R155-N158 PolarHBondContact N-OD1 2.75Å; R155-N158 WeakPolarHBondContact O-CB 3.2Å; R155-N158 PolarHBondContact O-N 2.7Å; N158-V160 PolarHBondContact O-N 3.43Å
159Y95.8Very high94.3Very high0 Ų051.7 Ų51.70%024%0.238CC..EExtended strand (participates in β ladder)trans-78.8109.4-179.9-170.8-76.3000109.2K43 E45 Y48 I123 V124 M125 K161 R167K43-Y159 HydrophobicContact CB-CD2 3.59Å; K43-Y159 HydrophobicContact CB-CE2 3.83Å; K43-Y159 HydrophobicContact CD-CD2 4.43Å; K43-Y159 WeakPolarHBondContact O-CE2 3.47Å; E45-Y159 HydrophobicContact CG-CE2 3.96Å; E45-Y159 WeakPolarHBondContact CG-OH 3.13Å; E45-Y159 PolarHBondContact OE1-OH 2.94Å; Y48-Y159 HydrophobicContact CD2-CD2 4.27Å; Y48-Y159 HydrophobicContact CG-CD2 4.02Å; Y48-Y159 HydrophobicContact CG-CG 4.41Å; I123-Y159 HydrophobicContact CB-CE1 4.15Å; I123-Y159 HydrophobicContact CG2-CD1 4.19Å; I123-Y159 HydrophobicContact CG2-CE1 3.81Å; V124-Y159 CarbonylContact C-O 3.53Å; V124-Y159 VanDerWaalsContact CA-O 3.3Å; V124-Y159 WeakPolarHBondContact CA-O 3.28Å; M125-Y159 HydrophobicContact CE-CD1 4.23Å; M125-Y159 HydrophobicContact CE-CE1 4.3Å; M125-Y159 HydrophobicContact CG-CD1 3.98Å; M125-Y159 HydrophobicContact CG-CG 4.17Å; M125-Y159 PolarHBondContact N-O 2.86Å; M125-Y159 PolarHBondContact O-N 3.45Å; M125-Y159 HydrophobicContact SD-CD1 4.28Å; M125-Y159 HydrophobicContact SD-CG 4.18Å; Y159-K161 HydrophobicContact CD1-CG 4.34Å; Y159-K161 HydrophobicContact CE1-CB 3.73Å; Y159-K161 HydrophobicContact CE1-CG 3.74Å; Y159-K161 HydrophobicContact CE2-CG 4.23Å; Y159-R167 WeakPolarHBondContact OH-CD 3.42Å
160V95.6Very high94.5Very high16 Ų1651.6 Ų51.610%0.09723%0.229CC..EExtended strand (participates in β ladder)trans-135.5104.4173.7179.40000107.6P114 I116 Y122 V124 L154 N158P114-V160 HydrophobicContact CB-CB 3.89Å; P114-V160 HydrophobicContact CB-CG1 3.82Å; P114-V160 HydrophobicContact CB-CG2 4.37Å; P114-V160 HydrophobicContact CG-CB 4.08Å; P114-V160 HydrophobicContact CG-CG1 4.03Å; P114-V160 HydrophobicContact CG-CG2 4.01Å; I116-V160 HydrophobicContact CD1-CG1 4.02Å; I116-V160 HydrophobicContact CG1-CG1 3.97Å; Y122-V160 HydrophobicContact CD1-CG1 4.1Å; V124-V160 HydrophobicContact CG1-CG1 4.14Å; V124-V160 HydrophobicContact CG1-CG2 4.23Å; L154-V160 HydrophobicContact CD1-CG2 3.96Å; L154-V160 HydrophobicContact CD2-CG2 4.08Å; L154-V160 HydrophobicContact CG-CG2 4.48Å; N158-V160 PolarHBondContact O-N 3.43Å
161K95.6Very high94.7Very high21 Ų2151 Ų519%0.09122%0.224CC..EExtended strand (participates in β ladder)trans-133145-179.1-67.1-65.6-177173.80110.5R40 K41 E42 Y122 I123 Y159 F163R40-K161 PolarHBondContact O-NZ 3.33Å; K41-K161 WeakPolarHBondContact O-CE 3.14Å; K41-K161 PolarHBondContact O-NZ 2.95Å; E42-K161 IonicContact OE2-NZ 3.04Å; E42-K161 PolarHBondContact OE2-NZ 3.45Å; Y122-K161 CarbonylContact C-O 3.41Å; Y122-K161 WeakPolarHBondContact CA-O 3.37Å; Y122-K161 WeakPolarHBondContact CD1-O 3.11Å; I123-K161 PolarHBondContact N-O 2.74Å; I123-K161 PolarHBondContact O-N 3.06Å; Y159-K161 HydrophobicContact CD1-CG 4.34Å; Y159-K161 HydrophobicContact CE1-CB 3.73Å; Y159-K161 HydrophobicContact CE1-CG 3.74Å; Y159-K161 HydrophobicContact CE2-CG 4.23Å; K161-F163 PolarHBondContact O-N 3.49Å
162R95.3Very high94.7Very high111 Ų11153.3 Ų53.342%0.41924%0.236SC..EExtended strand (participates in β ladder)trans-56.1139.1169.8-75.6-178.3173.3-106.6-15.6109.5K117 Y122 N164 R167K117-R162 VanDerWaalsContact CG-NH2 3.34Å; Y122-R162 HydrophobicContact CD1-CG 4.07Å; Y122-R162 HydrophobicContact CE1-CB 4.47Å; Y122-R162 HydrophobicContact CE1-CG 3.53Å; Y122-R162 PolarHBondContact OH-NH2 3.17Å; R162-N164 PolarHBondContact O-N 3.25Å; R162-R167 PolarHBondContact O-NH1 2.95Å
163F95.9Very high94.7Very high59 Ų5958.2 Ų58.226%0.25926%0.258SS..  trans-58.3135.7177.8178.8-89.3000110.2N57 R121 I123 K161 H168N57-F163 HydrophobicContact CB-CD2 4.29Å; R121-F163 HydrophobicContact CB-CB 3.85Å; R121-F163 HydrophobicContact CB-CG 4.49Å; R121-F163 HydrophobicContact CG-CB 3.76Å; R121-F163 HydrophobicContact CG-CD2 4.35Å; R121-F163 HydrophobicContact CG-CG 4.05Å; R121-F163 WeakPolarHBondContact O-CB 3.47Å; R121-F163 PolarHBondContact O-N 3.26Å; I123-F163 HydrophobicContact CD1-CD2 4.12Å; I123-F163 HydrophobicContact CG1-CD2 3.99Å; K161-F163 PolarHBondContact O-N 3.49Å; F163-H168 HydrophobicContact CD2-CB 4.48Å; F163-H168 HydrophobicContact CE2-CB 3.63Å; F163-H168 AromaticContact CE2-CG 3.86Å; F163-H168 HydrophobicContact CZ-CB 3.9Å
164N95.1Very high94.7Very high80 Ų8058.1 Ų58.143%0.42826%0.259SS..  trans-145.9139.9172.2178.4-51.2000106.5R162 R166 R167 H168R162-N164 PolarHBondContact O-N 3.25Å; N164-R166 PolarHBondContact O-N 3.17Å; N164-R166 VanDerWaalsContact OD1-CB 3.31Å; N164-R166 WeakPolarHBondContact OD1-CB 3.45Å; N164-R166 PolarHBondContact OD1-N 3.24Å; N164-R167 HydrophobicContact CB-CB 4.37Å; N164-R167 HydrophobicContact CB-CG 4.15Å; N164-R167 PolarHBondContact O-N 3.4Å; N164-H168 PolarHBondContact O-N 2.89Å
165K95.3Very high94.6Very high175 Ų17560.9 Ų60.976%0.76128%0.275SS*.Hα-helixtrans-52.5-39.8178.9-71-172.9177.4-177.40112.5H168 Q169K165-H168 WeakPolarHBondContact O-CB 3.32Å; K165-H168 PolarHBondContact O-N 3.46Å; K165-Q169 WeakPolarHBondContact O-CB 3.49Å; K165-Q169 PolarHBondContact O-N 3.41Å
166R95.8Very high94.5Very high182 Ų18264.6 Ų64.669%0.68729%0.289SS*.Hα-helixtrans-62.3-44.4176-173.8-180179.3-174.8-0.7112.2N164 Q169 K170N164-R166 PolarHBondContact O-N 3.17Å; N164-R166 VanDerWaalsContact OD1-CB 3.31Å; N164-R166 WeakPolarHBondContact OD1-CB 3.45Å; N164-R166 PolarHBondContact OD1-N 3.24Å; R166-Q169 PolarHBondContact O-N 3.39Å; R166-K170 WeakPolarHBondContact O-CG 3.39Å; R166-K170 PolarHBondContact O-N 3.2Å; R166-K170 VanDerWaalsContact O-N 3.08Å
167R95.6Very high94.4Very high51 Ų5166 Ų6619%0.19230%0.299CS..Hα-helixtrans-69.1-38.6178.7-66.1-174.6174.1132.61.5111.8E42 E45 I123 Y159 R162 N164 Q169 K170 A171E42-R167 IonicContact OE1-CZ 2.89Å; E42-R167 IonicContact OE1-NE 3.65Å; E42-R167 PolarHBondContact OE1-NE 3.47Å; E42-R167 IonicContact OE1-NH2 3.94Å; E42-R167 PolarHBondContact OE1-NH2 3.34Å; E42-R167 IonicContact OE2-NH2 3.96Å; E42-R167 PolarHBondContact OE2-NH2 2.97Å; E42-R167 VanDerWaalsContact OE2-NH2 3.1Å; E45-R167 WeakPolarHBondContact OE1-CG 3.49Å; I123-R167 HydrophobicContact CD1-CB 3.78Å; Y159-R167 WeakPolarHBondContact OH-CD 3.42Å; R162-R167 PolarHBondContact O-NH1 2.95Å; N164-R167 HydrophobicContact CB-CB 4.37Å; N164-R167 HydrophobicContact CB-CG 4.15Å; N164-R167 PolarHBondContact O-N 3.4Å; R167-Q169 VanDerWaalsContact C-N 3.35Å; R167-K170 PolarHBondContact O-N 3.42Å; R167-A171 WeakPolarHBondContact O-CB 3.47Å; R167-A171 PolarHBondContact O-N 3.47Å
168H95.5Very high94Very high38 Ų3874.2 Ų74.218%0.17632%0.322CS..Hα-helixtrans-58.4-48.4173.6174.564.9000111.2Y83 I123 F163 N164 K165 K170 A171 L172Y83-H168 AromaticContact CE1-CE1 3.79Å; Y83-H168 AromaticContact CE1-ND1 3.47Å; Y83-H168 WeakPolarHBondContact CE1-ND1 3.45Å; Y83-H168 AromaticContact CZ-ND1 3.53Å; Y83-H168 PolarHBondContact OH-ND1 2.8Å; I123-H168 HydrophobicContact CD1-CB 4.41Å; F163-H168 HydrophobicContact CD2-CB 4.48Å; F163-H168 HydrophobicContact CE2-CB 3.63Å; F163-H168 AromaticContact CE2-CG 3.86Å; F163-H168 HydrophobicContact CZ-CB 3.9Å; N164-H168 PolarHBondContact O-N 2.89Å; K165-H168 WeakPolarHBondContact O-CB 3.32Å; K165-H168 PolarHBondContact O-N 3.46Å; H168-K170 PolarHBondContact O-N 3.43Å; H168-A171 WeakPolarHBondContact O-CB 2.99Å; H168-A171 PolarHBondContact O-N 3.17Å; H168-L172 WeakPolarHBondContact NE2-CD1 3.46Å; H168-L172 WeakPolarHBondContact O-CG 3.41Å; H168-L172 PolarHBondContact O-N 3.42Å
169Q95.8Very high93.7Very high82 Ų8276.6 Ų76.638%0.38334%0.339SS..Hα-helixtrans-60.1-45.9177.7-175.65636.300112.1K165 R166 R167 A171 L172 E173K165-Q169 WeakPolarHBondContact O-CB 3.49Å; K165-Q169 PolarHBondContact O-N 3.41Å; R166-Q169 PolarHBondContact O-N 3.39Å; R167-Q169 VanDerWaalsContact C-N 3.35Å; Q169-A171 VanDerWaalsContact C-N 3.33Å; Q169-A171 PolarHBondContact O-N 3.28Å; Q169-L172 WeakPolarHBondContact O-CB 2.99Å; Q169-L172 PolarHBondContact O-N 3.34Å; Q169-L172 VanDerWaalsContact O-N 3.17Å; Q169-E173 WeakPolarHBondContact CG-OE1 3.43Å; Q169-E173 PolarHBondContact NE2-OE1 3.08Å; Q169-E173 WeakPolarHBondContact O-CG 3.44Å; Q169-E173 PolarHBondContact O-N 3.05Å
170K95.5Very high92.6Very high71 Ų7191 Ų9131%0.30939%0.393SS..Hα-helixtrans-61.1-38.3174.5-72.2-174.8176.1-169.20113.4E45 R166 R167 H168 E173 A174E45-K170 HydrophobicContact CB-CB 4.02Å; E45-K170 HydrophobicContact CG-CB 3.95Å; E45-K170 HydrophobicContact CG-CD 4.34Å; E45-K170 WeakPolarHBondContact OE2-CD 3.35Å; E45-K170 IonicContact OE2-NZ 3.2Å; E45-K170 PolarHBondContact OE2-NZ 2.77Å; R166-K170 WeakPolarHBondContact O-CG 3.39Å; R166-K170 PolarHBondContact O-N 3.2Å; R166-K170 VanDerWaalsContact O-N 3.08Å; R167-K170 PolarHBondContact O-N 3.42Å; H168-K170 PolarHBondContact O-N 3.43Å; K170-E173 PolarHBondContact O-N 2.81Å; K170-A174 WeakPolarHBondContact O-CB 3.01Å; K170-A174 PolarHBondContact O-N 3.19Å
171A94.6Very high92.5Very high0 Ų094.8 Ų94.80%041%0.408CS..Hα-helixtrans-65.3-39.7175.300000111.3Y83 M125 R167 H168 Q169 A174 V175Y83-A171 HydrophobicContact CD1-CB 4.29Å; Y83-A171 HydrophobicContact CD2-CB 4.34Å; Y83-A171 HydrophobicContact CE1-CB 4.1Å; Y83-A171 HydrophobicContact CE2-CB 4.16Å; Y83-A171 HydrophobicContact CG-CB 4.39Å; M125-A171 HydrophobicContact CE-CB 4.03Å; R167-A171 WeakPolarHBondContact O-CB 3.47Å; R167-A171 PolarHBondContact O-N 3.47Å; H168-A171 WeakPolarHBondContact O-CB 2.99Å; H168-A171 PolarHBondContact O-N 3.17Å; Q169-A171 VanDerWaalsContact C-N 3.33Å; Q169-A171 PolarHBondContact O-N 3.28Å; A171-A174 WeakPolarHBondContact O-CB 3.35Å; A171-A174 PolarHBondContact O-N 3.39Å; A171-V175 WeakPolarHBondContact O-CG2 3.28Å; A171-V175 PolarHBondContact O-N 3.06Å
172L95.4Very high92.3Very high49 Ų4998.6 Ų98.626%0.25742%0.424SS..Hα-helixtrans-65.3-38.2173.6-69.1175.8000112.5Y83 H168 Q169 A174 V175 R176Y83-L172 HydrophobicContact CD1-CD2 3.97Å; Y83-L172 HydrophobicContact CE1-CD2 4Å; Y83-L172 HydrophobicContact CE1-CG 4.28Å; H168-L172 WeakPolarHBondContact NE2-CD1 3.46Å; H168-L172 WeakPolarHBondContact O-CG 3.41Å; H168-L172 PolarHBondContact O-N 3.42Å; Q169-L172 WeakPolarHBondContact O-CB 2.99Å; Q169-L172 PolarHBondContact O-N 3.34Å; Q169-L172 VanDerWaalsContact O-N 3.17Å; L172-A174 VanDerWaalsContact C-N 3.32Å; L172-V175 WeakPolarHBondContact O-CB 3.49Å; L172-V175 PolarHBondContact O-N 2.9Å; L172-R176 PolarHBondContact O-N 2.9Å
173E94.6Very high92.1Very high103 Ų10397.9 Ų97.948%0.48143%0.425SS..Hα-helixtrans-62.8-41.2172.4-73.3164.6-164.800111.2Q169 K170 V175 R176 S177Q169-E173 WeakPolarHBondContact CG-OE1 3.43Å; Q169-E173 PolarHBondContact NE2-OE1 3.08Å; Q169-E173 WeakPolarHBondContact O-CG 3.44Å; Q169-E173 PolarHBondContact O-N 3.05Å; K170-E173 PolarHBondContact O-N 2.81Å; E173-V175 VanDerWaalsContact C-N 3.33Å; E173-V175 PolarHBondContact O-N 3.35Å; E173-R176 PolarHBondContact O-N 2.85Å; E173-S177 WeakPolarHBondContact O-CB 3.42Å; E173-S177 PolarHBondContact O-N 3.25Å
174A93.8Very high91.9Very high2 Ų2100.2 Ų100.22%0.01744%0.435CS..Hα-helixtrans-60.5-40.8175.500000112.3R46 Y49 K170 A171 L172 R176 S177R46-A174 HydrophobicContact CB-CB 4Å; R46-A174 HydrophobicContact CG-CB 4.15Å; Y49-A174 HydrophobicContact CD1-CB 3.95Å; Y49-A174 HydrophobicContact CG-CB 3.88Å; K170-A174 WeakPolarHBondContact O-CB 3.01Å; K170-A174 PolarHBondContact O-N 3.19Å; A171-A174 WeakPolarHBondContact O-CB 3.35Å; A171-A174 PolarHBondContact O-N 3.39Å; L172-A174 VanDerWaalsContact C-N 3.32Å; A174-R176 VanDerWaalsContact C-N 3.29Å; A174-R176 PolarHBondContact O-N 2.96Å; A174-S177 WeakPolarHBondContact CA-OG 3.39Å; A174-S177 PolarHBondContact O-N 2.04Å; A174-S177 PolarHBondContact O-OG 3.35Å
175V93.3Very high91.7Very high57 Ų57101.5 Ų101.535%0.34544%0.435SS..Hα-helixtrans-58.3-40.6175.1173.60000112Y49 A171 L172 E173Y49-V175 HydrophobicContact CD2-CG2 4.33Å; Y49-V175 HydrophobicContact CE2-CB 4.45Å; Y49-V175 HydrophobicContact CE2-CG2 3.5Å; Y49-V175 VanDerWaalsContact CE2-CG2 3.5Å; A171-V175 WeakPolarHBondContact O-CG2 3.28Å; A171-V175 PolarHBondContact O-N 3.06Å; L172-V175 WeakPolarHBondContact O-CB 3.49Å; L172-V175 PolarHBondContact O-N 2.9Å; E173-V175 VanDerWaalsContact C-N 3.33Å; E173-V175 PolarHBondContact O-N 3.35Å
176R91.1Very high91.5Very high197 Ų19796.6 Ų96.674%0.74341%0.413SS*.Hα-helixtrans-79-24.1-179.9-64.3173.3-174.9170.91.4112.5L172 E173 A174L172-R176 PolarHBondContact O-N 2.9Å; E173-R176 PolarHBondContact O-N 2.85Å; A174-R176 VanDerWaalsContact C-N 3.29Å; A174-R176 PolarHBondContact O-N 2.96Å
177S87.1Confident91.2Very high35 Ų3590.5 Ų90.525%0.24539%0.394CS..SBendtrans-77.9147.2179.180.40000111.4R46 E173 A174R46-S177 PolarHBondContact NE-OG 2.93Å; E173-S177 WeakPolarHBondContact O-CB 3.42Å; E173-S177 PolarHBondContact O-N 3.25Å; A174-S177 WeakPolarHBondContact CA-OG 3.39Å; A174-S177 PolarHBondContact O-N 2.04Å; A174-S177 PolarHBondContact O-OG 3.35Å
178R83.6Confident90.8Very high223 Ų22393.5 Ų93.584%0.84241%0.409SS*.PPolyproline II helixtrans-74.6131.4167.1-69.3-173-178.4-169.11.1109.7R46R46-R178 PolarHBondContact NH2-O 3.06Å
179C86.7Confident90.4Very high56 Ų5698.2 Ų98.238%0.37843%0.429SS..PPolyproline II helixtrans-67.4136.2160.5-62.90000108.2C50C50-C179 WeakPolarHBondContact CA-SG 3.47Å; C50-C179 HydrophobicContact CB-CB 3.68Å; C50-C179 WeakPolarHBondContact CB-SG 3.47Å; C50-C179 WeakPolarHBondContact SG-CA 3.42Å; C50-C179 WeakPolarHBondContact SG-CB 3.02Å; C50-C179 CovalentContact SG-SG 2.04Å; C50-C179 PolarHBondContact SG-SG 3.26Å
180R73.7Confident89.9Confident303 Ų30399.6 Ų99.6100%1.14343%0.433SS*.  trans-76.80178.7-76.1-176.4174.5175-1.9110.7

Retrieved 180 of 180 residues in 122.2 ms (Link to these results)