A0A096LPV0_POEFO Loading...

Myelin protein zero-like 1 like

AlphaFold DB , UniProt , Accession A0A096LPV0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 282 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M49.3Very low56.8Low244 Ų244134.4 Ų134.4100%1.20266%0.66SS**  0116.80-70.4164.2172.500107.3
2E56.2Low57.2Low143 Ų143126.8 Ų126.867%0.66864%0.642SS**  trans-79.2142.4180-68.2-145.512100112.2R4 K7E2-R4 PolarHBondContact O-N 3.05Å; E2-K7 IonicContact OE2-NZ 3.45Å; E2-K7 PolarHBondContact OE2-NZ 3.47Å
3P55Low57.9Low90 Ų90124.7 Ų124.758%0.58464%0.639SS**  trans-73.1101.4179.129.4-33.9000111.2W5 S6P3-W5 PolarHBondContact O-N 2.88Å; P3-S6 PolarHBondContact O-N 3.43Å; P3-S6 VanDerWaalsContact O-N 3.1Å
4R57.1Low58.4Low214 Ų214123.1 Ų123.181%0.80863%0.632SS**Hα-helixtrans-48.5-28.3173.4-70.1172.864.5177.9-0.4113.4E2 S6 K7 N8E2-R4 PolarHBondContact O-N 3.05Å; R4-S6 PolarHBondContact O-N 3.03Å; R4-K7 PolarHBondContact O-N 3.08Å; R4-N8 PolarHBondContact O-N 3.49Å
5W54Low58.5Low207 Ų207127 Ų12778%0.78464%0.636SS**Hα-helixtrans-55.3-43.9177.4-170.943.3000113.5P3 K7 N8 V9P3-W5 PolarHBondContact O-N 2.88Å; W5-K7 VanDerWaalsContact C-N 3.35Å; W5-K7 PolarHBondContact O-N 2.95Å; W5-N8 PolarHBondContact O-N 2.95Å; W5-V9 WeakPolarHBondContact O-CG2 3.2Å; W5-V9 PolarHBondContact O-N 2.99Å; W5-V9 VanDerWaalsContact O-N 3.12Å
6S56Low58.8Low76 Ų76123.1 Ų123.153%0.53162%0.624SS.*Hα-helixtrans-61.6-41.4-177.5178.60000112.4P3 R4 N8 V9 C10P3-S6 PolarHBondContact O-N 3.43Å; P3-S6 VanDerWaalsContact O-N 3.1Å; R4-S6 PolarHBondContact O-N 3.03Å; S6-N8 PolarHBondContact O-N 3.45Å; S6-V9 PolarHBondContact O-N 3.05Å; S6-C10 WeakPolarHBondContact O-CB 3.41Å; S6-C10 PolarHBondContact O-N 3.35Å
7K57.7Low59.3Low125 Ų125118.1 Ų118.154%0.54361%0.611SS.*Hα-helixtrans-66.5-37.4-179.8-60.3-175.2-175.61770111.4E2 R4 W5 M11E2-K7 IonicContact OE2-NZ 3.45Å; E2-K7 PolarHBondContact OE2-NZ 3.47Å; R4-K7 PolarHBondContact O-N 3.08Å; W5-K7 VanDerWaalsContact C-N 3.35Å; W5-K7 PolarHBondContact O-N 2.95Å; K7-M11 WeakPolarHBondContact O-CB 3.42Å; K7-M11 PolarHBondContact O-N 3.13Å; K7-M11 VanDerWaalsContact O-N 3.08Å
8N58.6Low59.4Low115 Ų115115.8 Ų115.862%0.61561%0.606SS**Hα-helixtrans-68.8-42.6177.2-67.76.3000112.6R4 W5 S6 M11 G12R4-N8 PolarHBondContact O-N 3.49Å; W5-N8 PolarHBondContact O-N 2.95Å; S6-N8 PolarHBondContact O-N 3.45Å; N8-M11 PolarHBondContact O-N 2.78Å; N8-G12 PolarHBondContact O-N 3.48Å; N8-G12 VanDerWaalsContact O-N 3.09Å
9V62.1Low59.5Low79 Ų79115.7 Ų115.748%0.47961%0.605SS.*Hα-helixtrans-65.3-45.6178.5175.30000110.8W5 S6 M11 G12 V13W5-V9 WeakPolarHBondContact O-CG2 3.2Å; W5-V9 PolarHBondContact O-N 2.99Å; W5-V9 VanDerWaalsContact O-N 3.12Å; S6-V9 PolarHBondContact O-N 3.05Å; V9-M11 PolarHBondContact O-N 3.35Å; V9-G12 PolarHBondContact O-N 3.47Å; V9-V13 WeakPolarHBondContact O-CG2 3.22Å; V9-V13 PolarHBondContact O-N 2.99Å
10C58.3Low59.5Low73 Ų73115.1 Ų115.149%0.49360%0.602SS.*Hα-helixtrans-60.7-42.9177.3-168.60000112.1S6 G12 V13 L14S6-C10 WeakPolarHBondContact O-CB 3.41Å; S6-C10 PolarHBondContact O-N 3.35Å; C10-G12 PolarHBondContact O-N 3.27Å; C10-V13 PolarHBondContact O-N 3.07Å; C10-L14 WeakPolarHBondContact O-CB 3.48Å; C10-L14 WeakPolarHBondContact O-CG 3.36Å; C10-L14 PolarHBondContact O-N 3.47Å
11M60.3Low59.5Low112 Ų112112.6 Ų112.655%0.55259%0.594SS**Hα-helixtrans-58.5-45.5175.1-163.28474.200112K7 N8 V9 L14 W15K7-M11 WeakPolarHBondContact O-CB 3.42Å; K7-M11 PolarHBondContact O-N 3.13Å; K7-M11 VanDerWaalsContact O-N 3.08Å; N8-M11 PolarHBondContact O-N 2.78Å; V9-M11 PolarHBondContact O-N 3.35Å; M11-L14 PolarHBondContact O-N 2.91Å; M11-W15 PolarHBondContact O-N 2.92Å
12G61.8Low60Low43 Ų43105.2 Ų105.244%0.44356%0.562SS.*Hα-helixtrans-64.7-40.1179.300000113.6N8 V9 C10 W15 S16N8-G12 PolarHBondContact O-N 3.48Å; N8-G12 VanDerWaalsContact O-N 3.09Å; V9-G12 PolarHBondContact O-N 3.47Å; C10-G12 PolarHBondContact O-N 3.27Å; G12-W15 PolarHBondContact O-N 3.27Å; G12-S16 WeakPolarHBondContact O-CB 3.46Å; G12-S16 PolarHBondContact O-N 2.96Å
13V67Low60.1Low100 Ų100103.7 Ų103.761%0.60656%0.558SS**Hα-helixtrans-66.1-42.9175.4174.10000111.1V9 C10 S16 G17V9-V13 WeakPolarHBondContact O-CG2 3.22Å; V9-V13 PolarHBondContact O-N 2.99Å; C10-V13 PolarHBondContact O-N 3.07Å; V13-S16 PolarHBondContact O-N 3.47Å; V13-G17 PolarHBondContact O-N 3.25Å
14L64.1Low60Low103 Ų103108.3 Ų108.354%0.53957%0.569SS.*Hα-helixtrans-61.3-45.1175.3-76.4164.9000112C10 M11 G17 C18C10-L14 WeakPolarHBondContact O-CB 3.48Å; C10-L14 WeakPolarHBondContact O-CG 3.36Å; C10-L14 PolarHBondContact O-N 3.47Å; M11-L14 PolarHBondContact O-N 2.91Å; L14-G17 PolarHBondContact O-N 3.49Å; L14-C18 WeakPolarHBondContact O-CB 3.27Å; L14-C18 PolarHBondContact O-N 3.35Å; L14-C18 PolarHBondContact O-SG 2.92Å; L14-C18 VanDerWaalsContact O-SG 3.34Å
15W60.4Low60Low181 Ų181104.1 Ų104.169%0.68657%0.567SS**Hα-helixtrans-66.2-42.2178.7-79.244.8000112M11 G12 C18 L19M11-W15 PolarHBondContact O-N 2.92Å; G12-W15 PolarHBondContact O-N 3.27Å; W15-C18 PolarHBondContact O-N 2.89Å; W15-L19 VanDerWaalsContact O-CG 3.31Å; W15-L19 WeakPolarHBondContact O-CG 3.35Å; W15-L19 PolarHBondContact O-N 2.92Å
16S63.5Low60.1Low65 Ų6598.8 Ų98.846%0.45556%0.557SS.*Hα-helixtrans-62.7-42.8174.9-172.40000112G12 V13 L19 L20G12-S16 WeakPolarHBondContact O-CB 3.46Å; G12-S16 PolarHBondContact O-N 2.96Å; V13-S16 PolarHBondContact O-N 3.47Å; S16-L19 PolarHBondContact O-N 3.31Å; S16-L20 WeakPolarHBondContact O-CG 3.36Å; S16-L20 PolarHBondContact O-N 3.42Å
17G66.1Low60.2Low38 Ų3897.7 Ų97.739%0.39256%0.558SS.*Hα-helixtrans-61.8-44.7175.300000113V13 L14 L20 S21V13-G17 PolarHBondContact O-N 3.25Å; L14-G17 PolarHBondContact O-N 3.49Å; G17-L20 PolarHBondContact O-N 3.35Å; G17-S21 PolarHBondContact O-N 2.95Å; G17-S21 PolarHBondContact O-OG 3.42Å
18C61.9Low60.2Low77 Ų7797.3 Ų97.352%0.5257%0.568SS.*Hα-helixtrans-64.1-39.6175.2-72.40000112.8L14 W15 S21 V22L14-C18 WeakPolarHBondContact O-CB 3.27Å; L14-C18 PolarHBondContact O-N 3.35Å; L14-C18 PolarHBondContact O-SG 2.92Å; L14-C18 VanDerWaalsContact O-SG 3.34Å; W15-C18 PolarHBondContact O-N 2.89Å; C18-S21 WeakPolarHBondContact CA-OG 3.43Å; C18-S21 PolarHBondContact O-N 3.38Å; C18-S21 PolarHBondContact O-OG 2.93Å; C18-S21 VanDerWaalsContact O-OG 3.04Å; C18-V22 WeakPolarHBondContact O-CB 3.43Å; C18-V22 VanDerWaalsContact O-CG2 3.28Å; C18-V22 WeakPolarHBondContact O-CG2 3.43Å; C18-V22 PolarHBondContact O-N 3.31Å
19L61.1Low60.1Low113 Ų11395.1 Ų95.159%0.59257%0.566SS**Hα-helixtrans-65.6-42.3176.8-73.1167.2000111.6W15 S16 V22 I23W15-L19 VanDerWaalsContact O-CG 3.31Å; W15-L19 WeakPolarHBondContact O-CG 3.35Å; W15-L19 PolarHBondContact O-N 2.92Å; S16-L19 PolarHBondContact O-N 3.31Å; L19-V22 PolarHBondContact O-N 3.39Å; L19-I23 WeakPolarHBondContact O-CD1 3.44Å; L19-I23 VanDerWaalsContact O-CG1 3.31Å; L19-I23 WeakPolarHBondContact O-CG1 3.38Å; L19-I23 PolarHBondContact O-N 3.39Å; L19-I23 VanDerWaalsContact O-N 3.13Å
20L60Low60.2Low103 Ų10394 Ų9454%0.53956%0.561SS.*Hα-helixtrans-65.6-38.5175.6-72.4167.5000112.5S16 G17 I23 F24S16-L20 WeakPolarHBondContact O-CG 3.36Å; S16-L20 PolarHBondContact O-N 3.42Å; G17-L20 PolarHBondContact O-N 3.35Å; L20-I23 PolarHBondContact O-N 2.91Å; L20-F24 PolarHBondContact O-N 2.92Å; L20-F24 VanDerWaalsContact O-N 3.13Å
21S59.5Low61.3Low64 Ų6493.8 Ų93.845%0.44857%0.565SS.*Hα-helixtrans-70.7-35.9176.966.60000112.9G17 C18 F24 V25G17-S21 PolarHBondContact O-N 2.95Å; G17-S21 PolarHBondContact O-OG 3.42Å; C18-S21 WeakPolarHBondContact CA-OG 3.43Å; C18-S21 PolarHBondContact O-N 3.38Å; C18-S21 PolarHBondContact O-OG 2.93Å; C18-S21 VanDerWaalsContact O-OG 3.04Å; S21-F24 PolarHBondContact O-N 3.31Å; S21-V25 WeakPolarHBondContact O-CG2 3.3Å; S21-V25 PolarHBondContact O-N 3.38Å
22V59.3Low62.8Low88 Ų8888.6 Ų88.653%0.53354%0.539SS..Hα-helixtrans-61.3-45.2172.61680000111.1C18 L19 F24 V25 T26C18-V22 WeakPolarHBondContact O-CB 3.43Å; C18-V22 VanDerWaalsContact O-CG2 3.28Å; C18-V22 WeakPolarHBondContact O-CG2 3.43Å; C18-V22 PolarHBondContact O-N 3.31Å; L19-V22 PolarHBondContact O-N 3.39Å; V22-F24 VanDerWaalsContact C-N 3.29Å; V22-F24 PolarHBondContact O-N 2.97Å; V22-V25 PolarHBondContact O-N 3.46Å; V22-V25 VanDerWaalsContact O-N 3.12Å; V22-T26 PolarHBondContact O-N 3.39Å; V22-T26 PolarHBondContact O-OG1 2.93Å
23I57.8Low64.3Low112 Ų11289.7 Ų89.757%0.57454%0.537SS*.Hα-helixtrans-61.2-37.7177.2-67.9164.1000111.6L19 L20 T26L19-I23 WeakPolarHBondContact O-CD1 3.44Å; L19-I23 VanDerWaalsContact O-CG1 3.31Å; L19-I23 WeakPolarHBondContact O-CG1 3.38Å; L19-I23 PolarHBondContact O-N 3.39Å; L19-I23 VanDerWaalsContact O-N 3.13Å; L20-I23 PolarHBondContact O-N 2.91Å; I23-T26 PolarHBondContact O-OG1 2.96Å
24F54.5Low65.8Low187 Ų18786 Ų8682%0.8251%0.514SS*.Hα-helixtrans-72.4-23.3175.8-103.9-87.1000114.4L20 S21 V22L20-F24 PolarHBondContact O-N 2.92Å; L20-F24 VanDerWaalsContact O-N 3.13Å; S21-F24 PolarHBondContact O-N 3.31Å; V22-F24 VanDerWaalsContact C-N 3.29Å; V22-F24 PolarHBondContact O-N 2.97Å
25V57.2Low67.3Low126 Ų12687.2 Ų87.276%0.76451%0.512SS*.Hα-helixtrans-82.8-31175.6169.50000111.4S21 V22 G27S21-V25 WeakPolarHBondContact O-CG2 3.3Å; S21-V25 PolarHBondContact O-N 3.38Å; V22-V25 PolarHBondContact O-N 3.46Å; V22-V25 VanDerWaalsContact O-N 3.12Å; V25-G27 VanDerWaalsContact C-N 3.31Å; V25-G27 PolarHBondContact O-N 2.94Å; V25-G27 VanDerWaalsContact O-N 3.07Å
26T54.2Low69.1Low95 Ų9580.2 Ų80.258%0.58349%0.493SS*.  trans-83.869.5174.156.90000111.9V22 I23V22-T26 PolarHBondContact O-N 3.39Å; V22-T26 PolarHBondContact O-OG1 2.93Å; I23-T26 PolarHBondContact O-OG1 2.96Å
27G59Low70.8Confident53 Ų5380 Ų8055%0.54649%0.486SS..  trans-58.9149.3163.900000111V25 A29V25-G27 VanDerWaalsContact C-N 3.31Å; V25-G27 PolarHBondContact O-N 2.94Å; V25-G27 VanDerWaalsContact O-N 3.07Å; G27-A29 PolarHBondContact O-N 3.48Å; G27-A29 VanDerWaalsContact O-N 3.15Å
28P57.9Low72.3Confident116 Ų11682.8 Ų82.875%0.75350%0.5SS*.  trans-64.1117.5177.127.2-33.3000109.6C30P28-C30 PolarHBondContact O-N 3.46Å
29A56.7Low74Confident69 Ų6983 Ų8357%0.5749%0.493SS*.  trans-71.594.4171.200000108.8G27G27-A29 PolarHBondContact O-N 3.48Å; G27-A29 VanDerWaalsContact O-N 3.15Å
30C64.2Low75.8Confident56 Ų5678.5 Ų78.538%0.37847%0.47SS..PPolyproline II helixtrans-63.1147.9173.5-86.20000110.6P28 D140P28-C30 PolarHBondContact O-N 3.46Å; C30-D140 WeakPolarHBondContact CB-OD1 3.46Å
31A81Confident77.6Confident68 Ų6878.4 Ų78.456%0.56247%0.469SS*.EExtended strand (participates in β ladder)trans-95.8126-170.200000111S142A31-S142 CarbonylContact C-O 3.5Å; A31-S142 WeakPolarHBondContact CA-O 3.4Å; A31-S142 WeakPolarHBondContact CB-O 3.4Å
32I91.9Very high79.3Confident4 Ų476.3 Ų76.32%0.02145%0.454CS..EExtended strand (participates in β ladder)trans-78.8127.8172.9-171.4163.8000109.4I34 F54 V135 N137 D140 S142 G143I32-I34 HydrophobicContact CG1-CG1 4.49Å; I32-F54 HydrophobicContact CD1-CB 4.21Å; I32-F54 HydrophobicContact CD1-CD2 3.74Å; I32-F54 HydrophobicContact CD1-CE2 4.39Å; I32-F54 HydrophobicContact CD1-CG 4.19Å; I32-F54 HydrophobicContact CG1-CB 4.22Å; I32-F54 HydrophobicContact CG1-CD2 4.3Å; I32-V135 HydrophobicContact CD1-CB 4Å; I32-V135 HydrophobicContact CD1-CG1 3.74Å; I32-N137 HydrophobicContact CD1-CB 4.04Å; I32-D140 HydrophobicContact CB-CB 4.24Å; I32-S142 PolarHBondContact N-O 3.03Å; I32-G143 WeakPolarHBondContact O-CA 3.4Å
33T94Very high81.1Confident66 Ų6675.8 Ų75.841%0.40545%0.446SS..EExtended strand (participates in β ladder)trans-101.2128.2177.1-57.70000108.9Y35 F54 D55T33-Y35 HydrophobicContact CG2-CE1 3.94Å; T33-Y35 HydrophobicContact CG2-CE2 3.9Å; T33-Y35 WeakPolarHBondContact CG2-OH 3.27Å; T33-F54 CarbonylContact O-C 3.52Å; T33-F54 WeakPolarHBondContact O-CA 3.22Å; T33-F54 WeakPolarHBondContact O-CB 3.4Å; T33-D55 PolarHBondContact N-O 3.03Å; T33-D55 PolarHBondContact O-N 3.36Å
34I96.7Very high82.9Confident22 Ų2273.1 Ų73.111%0.11343%0.433CS..EExtended strand (participates in β ladder)trans-115.3131.9-178.2-55177.3000109.2I32 C52 F54 V135I32-I34 HydrophobicContact CG1-CG1 4.49Å; I34-C52 VanDerWaalsContact CG2-SG 3.54Å; I34-F54 HydrophobicContact CG1-CB 4.37Å; I34-V135 HydrophobicContact CD1-CB 3.88Å; I34-V135 HydrophobicContact CD1-CG2 4.05Å; I34-V135 HydrophobicContact CG1-CB 4.39Å; I34-V135 HydrophobicContact CG1-CG2 4.48Å
35Y97.3Very high84.8Confident129 Ų12966.5 Ų66.551%0.50642%0.417SS..EExtended strand (participates in β ladder)trans-114.9130.9178.2-53.4-82.6000109.4T33 C52 T53 D55T33-Y35 HydrophobicContact CG2-CE1 3.94Å; T33-Y35 HydrophobicContact CG2-CE2 3.9Å; T33-Y35 WeakPolarHBondContact CG2-OH 3.27Å; Y35-C52 CarbonylContact O-C 3.59Å; Y35-C52 WeakPolarHBondContact O-CA 3.45Å; Y35-T53 PolarHBondContact N-O 2.99Å; Y35-T53 PolarHBondContact O-N 3.33Å; Y35-D55 HydrophobicContact CE2-CB 4.19Å
36A98.1Very high86.7Confident33 Ų3363.1 Ų63.127%0.27340%0.397SS..EExtended strand (participates in β ladder)trans-142.5154.6176.100000109.9S38 R51A36-S38 PolarHBondContact O-N 2.99Å; A36-R51 WeakPolarHBondContact CA-O 3.4Å; A36-R51 WeakPolarHBondContact CB-O 3.34Å
37D97.9Very high88.8Confident60 Ų6061.8 Ų61.832%0.32139%0.389SS..  trans-63.9128.3171.3-67.5-38.5000108.5E39 V40 R51 T148D37-E39 VanDerWaalsContact C-N 3.34Å; D37-E39 PolarHBondContact O-N 3.36Å; D37-V40 HydrophobicContact CB-CG2 3.97Å; D37-R51 WeakPolarHBondContact OD2-CB 3.35Å; D37-R51 VanDerWaalsContact OD2-CD 3.31Å; D37-R51 WeakPolarHBondContact OD2-CD 3.37Å; D37-R51 WeakPolarHBondContact OD2-CG 3.41Å; D37-T148 WeakPolarHBondContact O-CA 3.48Å; D37-T148 WeakPolarHBondContact O-CB 3.48Å; D37-T148 VanDerWaalsContact O-CG2 3.24Å; D37-T148 WeakPolarHBondContact O-CG2 3.29Å; D37-T148 PolarHBondContact O-OG1 2.83Å
38S97.6Very high90.6Very high97 Ų9759.3 Ų59.368%0.67836%0.363SS*.SBendtrans-69.3-32.5-174.9540000113.2A36 E149A36-S38 PolarHBondContact O-N 2.99Å; S38-E149 PolarHBondContact O-N 3.11Å
39E98.1Very high92.5Very high82 Ų8256.7 Ų56.738%0.38335%0.345SS..EExtended strand (participates in β ladder)trans-143.2137.2177.7-178.2172.1-102.800110D37 I41 E149 R151D37-E39 VanDerWaalsContact C-N 3.34Å; D37-E39 PolarHBondContact O-N 3.36Å; E39-I41 HydrophobicContact CG-CG1 4.08Å; E39-E149 CarbonylContact C-O 3.55Å; E39-E149 WeakPolarHBondContact CA-O 3.47Å; E39-R151 IonicContact OE1-CZ 2.78Å; E39-R151 IonicContact OE1-NE 3.18Å; E39-R151 PolarHBondContact OE1-NE 3.46Å; E39-R151 IonicContact OE1-NH2 3.87Å; E39-R151 PolarHBondContact OE1-NH2 2.58Å
40V98.3Very high94.5Very high18 Ų1853.4 Ų53.411%0.10932%0.318CS..EExtended strand (participates in β ladder)trans-126.1125.3174.91720000108.3D37 V42 L50 T148 E149 L150 R151D37-V40 HydrophobicContact CB-CG2 3.97Å; V40-V42 HydrophobicContact CG1-CG1 4.02Å; V40-L50 HydrophobicContact CB-CD2 4.32Å; V40-L50 HydrophobicContact CG1-CD2 4.45Å; V40-L50 HydrophobicContact CG2-CD2 4.3Å; V40-T148 HydrophobicContact CB-CG2 4.17Å; V40-T148 HydrophobicContact CG2-CG2 3.67Å; V40-E149 PolarHBondContact N-O 2.89Å; V40-L150 HydrophobicContact CB-CD1 4.08Å; V40-L150 HydrophobicContact CG1-CD1 3.8Å; V40-R151 PolarHBondContact O-N 3.45Å
41I97.7Very high96.2Very high101 Ų10158 Ų5852%0.51833%0.327SS..EExtended strand (participates in β ladder)trans-115123.6-179.9-49.4-175.1000109.5E39 R151 V153E39-I41 HydrophobicContact CG-CG1 4.08Å; I41-R151 WeakPolarHBondContact CA-O 3.44Å; I41-R151 HydrophobicContact CG1-CB 4.32Å; I41-R151 HydrophobicContact CG2-CB 4.43Å; I41-V153 HydrophobicContact CG2-CG1 3.78Å; I41-V153 HydrophobicContact CG2-CG2 4.26Å
42V96.9Very high97Very high20 Ų2054.8 Ų54.812%0.12130%0.301CS..EExtended strand (participates in β ladder)trans-137.1160.2-177.1-64.20000111.9V40 A48 A123 L150 R151 V152 V153V40-V42 HydrophobicContact CG1-CG1 4.02Å; V42-A48 HydrophobicContact CG1-CB 3.79Å; V42-A48 HydrophobicContact CG2-CB 4.19Å; V42-A123 HydrophobicContact CG2-CB 3.83Å; V42-L150 HydrophobicContact CG2-CD1 3.9Å; V42-R151 PolarHBondContact N-O 3.38Å; V42-V152 HydrophobicContact CG2-CG2 3.98Å; V42-V152 CarbonylContact O-C 3.46Å; V42-V152 WeakPolarHBondContact O-CA 3.47Å; V42-V153 WeakPolarHBondContact O-CG2 3.26Å; V42-V153 PolarHBondContact O-N 2.92Å
43Q96.4Very high97.3Very high78 Ų7857.6 Ų57.636%0.36432%0.318SS..EExtended strand (participates in β ladder)trans-85.7145.7175-67.4-177.5-2.600111.2G45 T46 V153 K155Q43-G45 PolarHBondContact O-N 3Å; Q43-T46 HydrophobicContact CB-CG2 3.92Å; Q43-T46 PolarHBondContact N-OG1 2.96Å; Q43-T46 PolarHBondContact O-N 3.43Å; Q43-T46 PolarHBondContact O-OG1 3.08Å; Q43-V153 WeakPolarHBondContact CA-O 3.26Å; Q43-V153 HydrophobicContact CG-CG2 4.18Å; Q43-K155 HydrophobicContact CB-CB 4.44Å
44N96Very high97.4Very high55 Ų5554.8 Ų54.829%0.29430%0.3SS..THydrogen-bonded Turntrans-56.1127.1173.2-175.467.8000111.1Q124 F125 V152 V153N44-Q124 WeakPolarHBondContact OD1-CA 3.38Å; N44-F125 HydrophobicContact CB-CD1 4.42Å; N44-F125 HydrophobicContact CB-CD2 4.42Å; N44-F125 HydrophobicContact CB-CE1 3.8Å; N44-F125 HydrophobicContact CB-CE2 3.81Å; N44-F125 HydrophobicContact CB-CZ 3.45Å; N44-F125 VanDerWaalsContact CB-CZ 3.45Å; N44-F125 VanDerWaalsContact CG-CE2 3.44Å; N44-F125 PolarHBondContact OD1-N 3.44Å; N44-V152 HydrophobicContact CB-CG1 3.86Å; N44-V153 PolarHBondContact N-O 2.97Å
45G94.8Very high97.3Very high48 Ų4857.6 Ų57.650%0.49532%0.315SS..THydrogen-bonded Turntrans88-3.9-175.300000115.6Q43 A123Q43-G45 PolarHBondContact O-N 3Å; G45-A123 PolarHBondContact N-O 2.74Å
46T96.1Very high97Very high56 Ų5651.8 Ų51.834%0.34429%0.294SS..SBendtrans-94.3168.8174.967.80000112.6Q43 A123Q43-T46 HydrophobicContact CB-CG2 3.92Å; Q43-T46 PolarHBondContact N-OG1 2.96Å; Q43-T46 PolarHBondContact O-N 3.43Å; Q43-T46 PolarHBondContact O-OG1 3.08Å; T46-A123 WeakPolarHBondContact O-CB 3.43Å; T46-A123 PolarHBondContact O-N 3.37Å
47T97.6Very high96.5Very high66 Ų6654.3 Ų54.341%0.40531%0.309SS..PPolyproline II helixtrans-77.5132.5171.8-61.40000111.1Q119 L120 S121T47-Q119 HydrophobicContact CG2-CG 3.32Å; T47-L120 WeakPolarHBondContact CA-O 3.4Å; T47-S121 WeakPolarHBondContact OG1-CB 3.42Å; T47-S121 PolarHBondContact OG1-OG 2.92Å
48A97.9Very high96.1Very high1 Ų155.3 Ų55.31%0.00831%0.312CS..EExtended strand (participates in β ladder)trans-101.7147.1162.900000110.4V42 Q119 L120 A123 L150V42-A48 HydrophobicContact CG1-CB 3.79Å; V42-A48 HydrophobicContact CG2-CB 4.19Å; A48-Q119 CarbonylContact O-C 3.58Å; A48-Q119 WeakPolarHBondContact O-CA 3.48Å; A48-L120 HydrophobicContact CB-CB 4.34Å; A48-L120 PolarHBondContact N-O 3.41Å; A48-L120 PolarHBondContact O-N 3.49Å; A48-A123 HydrophobicContact CB-CB 4.45Å; A48-L150 HydrophobicContact CB-CD1 4.17Å
49V98.4Very high95.8Very high62 Ų6256.2 Ų56.238%0.37631%0.313SS..EExtended strand (participates in β ladder)trans-118.9120.1166.5178.90000106.8R51 Q119V49-R51 HydrophobicContact CG1-CG 4.35Å; V49-Q119 HydrophobicContact CG2-CG 4.42Å
50L98.6Very high95.6Very high0 Ų053.6 Ų53.60%030%0.303CS..EExtended strand (participates in β ladder)trans-98.6102.3177.7-57.7171.6000106.6V40 W68 S117 I118 F131 T148 L150V40-L50 HydrophobicContact CB-CD2 4.32Å; V40-L50 HydrophobicContact CG1-CD2 4.45Å; V40-L50 HydrophobicContact CG2-CD2 4.3Å; L50-W68 HydrophobicContact CB-CH2 3.7Å; L50-W68 HydrophobicContact CB-CZ2 4.37Å; L50-W68 HydrophobicContact CB-CZ3 4.09Å; L50-W68 HydrophobicContact CD1-CZ3 4.42Å; L50-S117 WeakPolarHBondContact O-CA 3.2Å; L50-I118 HydrophobicContact CB-CG1 3.96Å; L50-I118 HydrophobicContact CD1-CD1 3.93Å; L50-I118 HydrophobicContact CD1-CG1 4.1Å; L50-I118 HydrophobicContact CG-CG1 4.5Å; L50-I118 PolarHBondContact N-O 3.42Å; L50-I118 PolarHBondContact O-N 2.83Å; L50-I118 VanDerWaalsContact O-N 3.14Å; L50-F131 HydrophobicContact CD1-CB 3.9Å; L50-F131 HydrophobicContact CD1-CD1 3.37Å; L50-F131 HydrophobicContact CD1-CD2 3.94Å; L50-F131 HydrophobicContact CD1-CE1 3.81Å; L50-F131 HydrophobicContact CD1-CE2 4.34Å; L50-F131 HydrophobicContact CD1-CG 3.45Å; L50-F131 VanDerWaalsContact CD1-CG 3.45Å; L50-F131 HydrophobicContact CD1-CZ 4.28Å; L50-T148 HydrophobicContact CD2-CG2 3.83Å; L50-L150 HydrophobicContact CD2-CD1 4.28Å
51R98.5Very high95.4Very high153 Ų15356.4 Ų56.458%0.57732%0.32SS*.  trans-75133.2-176.8-65.5-173.8173.6149.2-6110.7A36 D37 V49 S117A36-R51 WeakPolarHBondContact CA-O 3.4Å; A36-R51 WeakPolarHBondContact CB-O 3.34Å; D37-R51 WeakPolarHBondContact OD2-CB 3.35Å; D37-R51 VanDerWaalsContact OD2-CD 3.31Å; D37-R51 WeakPolarHBondContact OD2-CD 3.37Å; D37-R51 WeakPolarHBondContact OD2-CG 3.41Å; V49-R51 HydrophobicContact CG1-CG 4.35Å; R51-S117 WeakPolarHBondContact CA-OG 3.33Å
52C98.4Very high95.2Very high0 Ų058.8 Ų58.80%033%0.326CS..EExtended strand (participates in β ladder)trans-141.8121.9168.3178.90000108.5I34 Y35 W68 A116 S117 C133I34-C52 VanDerWaalsContact CG2-SG 3.54Å; Y35-C52 CarbonylContact O-C 3.59Å; Y35-C52 WeakPolarHBondContact O-CA 3.45Å; C52-W68 HydrophobicContact CB-CH2 3.92Å; C52-W68 HydrophobicContact CB-CZ2 3.37Å; C52-A116 HydrophobicContact CB-CB 4.2Å; C52-A116 CarbonylContact O-C 3.5Å; C52-A116 WeakPolarHBondContact O-CA 3.33Å; C52-A116 PolarHBondContact O-N 3.49Å; C52-S117 PolarHBondContact N-OG 2.9Å; C52-S117 PolarHBondContact O-N 2.8Å; C52-S117 PolarHBondContact O-OG 3.45Å; C52-C133 HydrophobicContact CB-CB 3.66Å; C52-C133 WeakPolarHBondContact CB-SG 3.27Å; C52-C133 WeakPolarHBondContact SG-CB 3.37Å; C52-C133 CovalentContact SG-SG 2.03Å; C52-C133 PolarHBondContact SG-SG 3.38Å
53T98Very high95Very high62 Ų6260.5 Ų60.538%0.3834%0.343SS..EExtended strand (participates in β ladder)trans-123.5161.4168.659.40000109.2Y35 K114 D115Y35-T53 PolarHBondContact N-O 2.99Å; Y35-T53 PolarHBondContact O-N 3.33Å; T53-K114 VanDerWaalsContact CA-O 3.27Å; T53-K114 WeakPolarHBondContact CA-O 3.37Å; T53-K114 WeakPolarHBondContact CB-O 3.4Å; T53-D115 HydrophobicContact CG2-CB 4.35Å
54F96.5Very high95Very high8 Ų856.9 Ų56.94%0.03533%0.326CS..EExtended strand (participates in β ladder)trans-132.9160.3177.761.5-83.8000111.7I32 T33 I34 V60 T64 I111 K114 A116 V135I32-F54 HydrophobicContact CD1-CB 4.21Å; I32-F54 HydrophobicContact CD1-CD2 3.74Å; I32-F54 HydrophobicContact CD1-CE2 4.39Å; I32-F54 HydrophobicContact CD1-CG 4.19Å; I32-F54 HydrophobicContact CG1-CB 4.22Å; I32-F54 HydrophobicContact CG1-CD2 4.3Å; T33-F54 CarbonylContact O-C 3.52Å; T33-F54 WeakPolarHBondContact O-CA 3.22Å; T33-F54 WeakPolarHBondContact O-CB 3.4Å; I34-F54 HydrophobicContact CG1-CB 4.37Å; F54-V60 HydrophobicContact CE2-CG2 4.06Å; F54-V60 HydrophobicContact CZ-CG2 3.84Å; F54-T64 HydrophobicContact CZ-CG2 4.45Å; F54-I111 HydrophobicContact CE1-CD1 3.92Å; F54-I111 HydrophobicContact CZ-CD1 4.26Å; F54-K114 HydrophobicContact CD1-CB 4.05Å; F54-K114 VanDerWaalsContact CD1-O 3.25Å; F54-K114 WeakPolarHBondContact CD1-O 3.44Å; F54-K114 HydrophobicContact CD2-CB 4.05Å; F54-K114 HydrophobicContact CD2-CD 4.44Å; F54-K114 HydrophobicContact CD2-CG 4.19Å; F54-K114 VanDerWaalsContact CE1-CA 3.45Å; F54-K114 HydrophobicContact CE1-CB 3.94Å; F54-K114 HydrophobicContact CE2-CB 3.95Å; F54-K114 HydrophobicContact CE2-CD 4.43Å; F54-K114 HydrophobicContact CE2-CG 3.83Å; F54-K114 HydrophobicContact CG-CB 4.12Å; F54-K114 HydrophobicContact CZ-CB 3.9Å; F54-K114 HydrophobicContact CZ-CG 4.07Å; F54-K114 PolarHBondContact N-O 2.79Å; F54-K114 VanDerWaalsContact O-CB 3.23Å; F54-K114 WeakPolarHBondContact O-CB 3.35Å; F54-K114 WeakPolarHBondContact O-CD 3.32Å; F54-A116 HydrophobicContact CD1-CB 4.47Å; F54-V135 HydrophobicContact CB-CG1 4.49Å; F54-V135 HydrophobicContact CD1-CB 4.42Å; F54-V135 HydrophobicContact CD1-CG1 3.73Å; F54-V135 HydrophobicContact CD1-CG2 4.17Å; F54-V135 HydrophobicContact CD2-CG1 4.2Å; F54-V135 HydrophobicContact CE1-CG1 3.84Å; F54-V135 HydrophobicContact CE2-CG1 4.3Å; F54-V135 HydrophobicContact CG-CB 4.48Å; F54-V135 HydrophobicContact CG-CG1 3.9Å; F54-V135 HydrophobicContact CZ-CG1 4.12Å
55D94.1Very high95.1Very high81 Ų8155.1 Ų55.143%0.43332%0.318SS..EExtended strand (participates in β ladder)trans-125.7142.4161.7-160.319.1000111.2T33 Y35 K114T33-D55 PolarHBondContact N-O 3.03Å; T33-D55 PolarHBondContact O-N 3.36Å; Y35-D55 HydrophobicContact CE2-CB 4.19Å; D55-K114 IonicContact OD1-NZ 2.83Å; D55-K114 PolarHBondContact OD1-NZ 3Å
56S91.7Very high95.2Very high7 Ų752.9 Ų52.95%0.04930%0.295CS..  trans-161.2140.1-167.6164.70000107.7E58 K114 N137 D140S56-E58 PolarHBondContact O-N 2.85Å; S56-E58 PolarHBondContact OG-N 3.28Å; S56-K114 PolarHBondContact O-NZ 3.41Å; S56-N137 PolarHBondContact OG-ND2 3.4Å; S56-D140 WeakPolarHBondContact CA-OD2 3.37Å; S56-D140 WeakPolarHBondContact CB-OD2 3.29Å; S56-D140 PolarHBondContact OG-OD2 3.38Å
57S86.7Confident95.3Very high86 Ų8651 Ų5160%0.60128%0.284SS*.SBendtrans-67-29.3175.311.90000112D140S57-D140 PolarHBondContact N-OD2 3.03Å; S57-D140 PolarHBondContact OG-OD2 2.92Å
58E89.6Confident95.3Very high80 Ų8047.9 Ų47.937%0.37427%0.265SS..SBendtrans-86150.6-170.4-67-64.9159.900113.3S56 N137 P139 D140S56-E58 PolarHBondContact O-N 2.85Å; S56-E58 PolarHBondContact OG-N 3.28Å; E58-N137 PolarHBondContact O-ND2 3.08Å; E58-P139 HydrophobicContact CG-CG 3.82Å; E58-D140 HydrophobicContact CG-CB 4.48Å; E58-D140 PolarHBondContact N-OD2 2.57Å
59V92Very high95.3Very high116 Ų11648.6 Ų48.670%0.70327%0.269SS*.PPolyproline II helixtrans-73.7137.1176.9-177.90000109.4T61V59-T61 WeakPolarHBondContact O-CG2 3.4Å; V59-T61 PolarHBondContact O-N 3.22Å
60V94.2Very high95.2Very high28 Ų2845.8 Ų45.817%0.1725%0.252CS..PPolyproline II helixtrans-65.7130.7175.6171.90000110.3F54 T64 I111F54-V60 HydrophobicContact CE2-CG2 4.06Å; F54-V60 HydrophobicContact CZ-CG2 3.84Å; V60-T64 HydrophobicContact CG1-CG2 4.21Å; V60-I111 HydrophobicContact CG1-CG1 3.96Å; V60-I111 HydrophobicContact CG1-CG2 4.22Å
61T93.4Very high95.2Very high76 Ų7648.4 Ų48.447%0.46626%0.264SS..  trans-134.3-177.7-177.370.60000111.9V59 A63 T64V59-T61 WeakPolarHBondContact O-CG2 3.4Å; V59-T61 PolarHBondContact O-N 3.22Å; T61-A63 PolarHBondContact O-N 2.9Å; T61-A63 PolarHBondContact OG1-N 3.45Å; T61-A63 VanDerWaalsContact OG1-N 3.15Å; T61-T64 PolarHBondContact N-OG1 3.07Å; T61-T64 VanDerWaalsContact O-CB 3.3Å; T61-T64 WeakPolarHBondContact O-CB 3.5Å; T61-T64 PolarHBondContact O-N 2.95Å; T61-T64 VanDerWaalsContact O-N 3.08Å; T61-T64 PolarHBondContact O-OG1 2.78Å; T61-T64 VanDerWaalsContact O-OG1 3.06Å
62K93.8Very high95.1Very high151 Ų15141.3 Ų41.366%0.65724%0.238SC*.THydrogen-bonded Turntrans-60.7-21.6170.5-67.9177.5162.3-80.70113.6T64 D91K62-T64 VanDerWaalsContact C-N 3.34Å; K62-D91 WeakPolarHBondContact CD-OD1 3.32Å; K62-D91 VanDerWaalsContact CG-OD1 3.29Å; K62-D91 WeakPolarHBondContact CG-OD1 3.43Å; K62-D91 IonicContact NZ-OD1 2.74Å; K62-D91 PolarHBondContact NZ-OD1 3.09Å; K62-D91 IonicContact NZ-OD2 3.19Å
63A93.3Very high95Very high57 Ų5745.5 Ų45.547%0.47126%0.26SS..THydrogen-bonded Turntrans-81.8-13176.400000113T61 P138T61-A63 PolarHBondContact O-N 2.9Å; T61-A63 PolarHBondContact OG1-N 3.45Å; T61-A63 VanDerWaalsContact OG1-N 3.15Å; A63-P138 HydrophobicContact CB-CG 4.44Å; A63-P138 WeakPolarHBondContact O-CD 3.5Å
64T95.7Very high94.8Very high2 Ų245.4 Ų45.41%0.01226%0.256CS..  trans-66.7133.9173.5-44.80000109.7F54 V60 T61 K62 I111 K136 N137F54-T64 HydrophobicContact CZ-CG2 4.45Å; V60-T64 HydrophobicContact CG1-CG2 4.21Å; T61-T64 PolarHBondContact N-OG1 3.07Å; T61-T64 VanDerWaalsContact O-CB 3.3Å; T61-T64 WeakPolarHBondContact O-CB 3.5Å; T61-T64 PolarHBondContact O-N 2.95Å; T61-T64 VanDerWaalsContact O-N 3.08Å; T61-T64 PolarHBondContact O-OG1 2.78Å; T61-T64 VanDerWaalsContact O-OG1 3.06Å; K62-T64 VanDerWaalsContact C-N 3.34Å; T64-I111 HydrophobicContact CG2-CD1 4.37Å; T64-I111 HydrophobicContact CG2-CG1 4.27Å; T64-K136 CarbonylContact C-O 3.51Å; T64-K136 VanDerWaalsContact CA-O 3.26Å; T64-K136 WeakPolarHBondContact CA-O 3.49Å; T64-K136 WeakPolarHBondContact CG2-O 3.43Å; T64-N137 HydrophobicContact CG2-CB 4.12Å; T64-N137 WeakPolarHBondContact CG2-OD1 3.38Å; T64-N137 PolarHBondContact OG1-OD1 3.46Å
65S96.9Very high94.6Very high18 Ų1850 Ų5013%0.12629%0.286CS..EExtended strand (participates in β ladder)trans-138.4155.2176.864.10000112.9Y88 F89 V135 K136S65-Y88 WeakPolarHBondContact CB-OH 3.35Å; S65-F89 WeakPolarHBondContact CA-O 3.29Å; S65-F89 VanDerWaalsContact CB-O 3.26Å; S65-F89 WeakPolarHBondContact CB-O 3.49Å; S65-V135 WeakPolarHBondContact O-CA 3.2Å; S65-K136 PolarHBondContact N-O 3.29Å; S65-K136 PolarHBondContact O-N 2.85Å
66V97.8Very high94.5Very high0 Ų053 Ų530%030%0.302CS..EExtended strand (participates in β ladder)trans-125.7134.5174.8-173.60000108.6Y88 F89 F107 I111 A116 D134 V135V66-Y88 CarbonylContact O-C 3.56Å; V66-Y88 WeakPolarHBondContact O-CA 3.37Å; V66-Y88 VanDerWaalsContact O-CD2 3.25Å; V66-Y88 WeakPolarHBondContact O-CD2 3.13Å; V66-F89 HydrophobicContact CB-CB 4.04Å; V66-F89 HydrophobicContact CG2-CB 4.42Å; V66-F89 PolarHBondContact N-O 3.4Å; V66-F89 PolarHBondContact O-N 2.99Å; V66-F107 HydrophobicContact CG2-CE2 4.37Å; V66-I111 HydrophobicContact CG2-CD1 3.58Å; V66-A116 HydrophobicContact CG1-CB 4Å; V66-A116 HydrophobicContact CG2-CB 3.82Å; V66-D134 CarbonylContact C-O 3.17Å; V66-D134 VanDerWaalsContact CA-O 3.29Å; V66-D134 WeakPolarHBondContact CA-O 3.39Å; V66-V135 HydrophobicContact CG1-CG2 4.26Å; V66-V135 HydrophobicContact CG2-CG1 4.42Å; V66-V135 HydrophobicContact CG2-CG2 4.28Å
67S97.4Very high94.5Very high18 Ų1854 Ų5413%0.12631%0.31CS..EExtended strand (participates in β ladder)trans-120.7115.2170-174.90000109.1D134S67-D134 PolarHBondContact N-O 2.82Å; S67-D134 PolarHBondContact O-N 2.99Å
68W98.2Very high94.7Very high0 Ų057.3 Ų57.30%032%0.315CS..EExtended strand (participates in β ladder)trans-94.8126.4169.3-8494.6000109.7L50 C52 I86 L87 A116 I118 F131 F132 C133L50-W68 HydrophobicContact CB-CH2 3.7Å; L50-W68 HydrophobicContact CB-CZ2 4.37Å; L50-W68 HydrophobicContact CB-CZ3 4.09Å; L50-W68 HydrophobicContact CD1-CZ3 4.42Å; C52-W68 HydrophobicContact CB-CH2 3.92Å; C52-W68 HydrophobicContact CB-CZ2 3.37Å; W68-I86 HydrophobicContact CB-CD1 4.29Å; W68-I86 HydrophobicContact CB-CG1 3.91Å; W68-I86 VanDerWaalsContact O-CG1 3.31Å; W68-I86 WeakPolarHBondContact O-CG1 3.42Å; W68-I86 PolarHBondContact O-N 3.39Å; W68-L87 HydrophobicContact CB-CB 4.39Å; W68-L87 PolarHBondContact N-O 3.4Å; W68-L87 PolarHBondContact O-N 3.28Å; W68-A116 PolarHBondContact NE1-O 2.92Å; W68-I118 HydrophobicContact CB-CD1 4.05Å; W68-I118 VanDerWaalsContact CD1-CG2 3.49Å; W68-I118 HydrophobicContact CD2-CD1 3.51Å; W68-I118 HydrophobicContact CD2-CG1 3.82Å; W68-I118 HydrophobicContact CD2-CG2 4.42Å; W68-I118 HydrophobicContact CE3-CD1 3.78Å; W68-I118 HydrophobicContact CE3-CG1 4.24Å; W68-I118 HydrophobicContact CG-CD1 3.67Å; W68-I118 HydrophobicContact CG-CG1 4.21Å; W68-I118 HydrophobicContact CG-CG2 4.07Å; W68-I118 HydrophobicContact CH2-CG1 4.28Å; W68-I118 HydrophobicContact CZ2-CD1 4.43Å; W68-I118 HydrophobicContact CZ2-CG1 3.86Å; W68-I118 HydrophobicContact CZ3-CD1 4.36Å; W68-I118 HydrophobicContact CZ3-CG1 4.47Å; W68-F131 HydrophobicContact CE3-CB 4.19Å; W68-F131 HydrophobicContact CZ3-CB 3.89Å; W68-F132 WeakPolarHBondContact CA-O 3.42Å; W68-C133 HydrophobicContact CD2-CB 4.04Å; W68-C133 HydrophobicContact CE3-CB 4.08Å; W68-C133 HydrophobicContact CH2-CB 3.82Å; W68-C133 HydrophobicContact CZ2-CB 3.76Å; W68-C133 HydrophobicContact CZ3-CB 3.96Å
69T97.6Very high94.8Very high15 Ų1555.5 Ų55.59%0.09231%0.306CS..EExtended strand (participates in β ladder)trans-120.1156.1174.665.40000111.8Y84 V85 F131 F132T69-Y84 CarbonylContact C-O 3.54Å; T69-Y84 WeakPolarHBondContact CA-O 3.43Å; T69-Y84 VanDerWaalsContact CB-O 3.26Å; T69-Y84 WeakPolarHBondContact CB-O 3.39Å; T69-V85 HydrophobicContact CG2-CG2 4.13Å; T69-F131 CarbonylContact O-C 3.57Å; T69-F131 WeakPolarHBondContact O-CA 3.06Å; T69-F132 PolarHBondContact N-O 3.02Å; T69-F132 PolarHBondContact O-N 2.78Å
70F97.7Very high94.9Very high4 Ų455.3 Ų55.32%0.01829%0.293CS..EExtended strand (participates in β ladder)trans-128.2139.2176.4173.9-112.5000110.7P83 Y84 I86 F101 D127 T130 F131F70-P83 CarbonylContact O-C 3.59Å; F70-P83 WeakPolarHBondContact O-CA 3.37Å; F70-Y84 HydrophobicContact CB-CE1 4.42Å; F70-Y84 AromaticContact CD1-CE1 3.65Å; F70-Y84 HydrophobicContact CD1-CE1 3.65Å; F70-Y84 AromaticContact CD1-CZ 3.93Å; F70-Y84 HydrophobicContact CE1-CE1 4.49Å; F70-Y84 PolarHBondContact N-O 3.01Å; F70-Y84 WeakPolarHBondContact O-CD1 3.38Å; F70-Y84 PolarHBondContact O-N 2.92Å; F70-I86 HydrophobicContact CB-CD1 4.34Å; F70-I86 HydrophobicContact CB-CG2 3.65Å; F70-F101 HydrophobicContact CB-CE2 4.24Å; F70-F101 AromaticContact CD1-CE2 3.59Å; F70-F101 HydrophobicContact CD1-CE2 3.59Å; F70-F101 AromaticContact CD1-CZ 3.89Å; F70-F101 HydrophobicContact CD1-CZ 3.89Å; F70-F101 HydrophobicContact CE1-CE2 4.13Å; F70-F101 HydrophobicContact CE1-CZ 4.12Å; F70-F101 HydrophobicContact CG-CE2 4.01Å; F70-F101 HydrophobicContact CG-CZ 4.12Å; F70-D127 VanDerWaalsContact CE2-O 3.31Å; F70-D127 WeakPolarHBondContact CE2-O 3.32Å; F70-T130 WeakPolarHBondContact CA-O 3.39Å; F70-F131 HydrophobicContact CB-CD1 4.22Å; F70-F131 HydrophobicContact CB-CE1 4.15Å; F70-F131 AromaticContact CD2-CD1 3.98Å; F70-F131 HydrophobicContact CD2-CD1 3.98Å; F70-F131 AromaticContact CD2-CD2 3.72Å; F70-F131 HydrophobicContact CD2-CD2 3.72Å; F70-F131 AromaticContact CD2-CE1 3.7Å; F70-F131 HydrophobicContact CD2-CE1 3.7Å; F70-F131 AromaticContact CD2-CE2 3.39Å; F70-F131 HydrophobicContact CD2-CE2 3.39Å; F70-F131 AromaticContact CD2-CG 3.99Å; F70-F131 HydrophobicContact CD2-CG 3.99Å; F70-F131 AromaticContact CD2-CZ 3.38Å; F70-F131 HydrophobicContact CD2-CZ 3.38Å; F70-F131 HydrophobicContact CE2-CD2 4.07Å; F70-F131 HydrophobicContact CE2-CE1 4.43Å; F70-F131 AromaticContact CE2-CE2 3.45Å; F70-F131 HydrophobicContact CE2-CE2 3.45Å; F70-F131 VanDerWaalsContact CE2-CE2 3.45Å; F70-F131 AromaticContact CE2-CZ 3.67Å; F70-F131 HydrophobicContact CE2-CZ 3.67Å; F70-F131 HydrophobicContact CG-CD1 4.5Å; F70-F131 HydrophobicContact CG-CE1 4.14Å; F70-F131 HydrophobicContact CG-CZ 4.14Å
71Q97.4Very high94.8Very high54 Ų5459.1 Ų59.125%0.25232%0.321SS..EExtended strand (participates in β ladder)trans-123.9125.8168.7-176-179.68.800108Y79 Y80 P83 G129 T130 F132Q71-Y79 WeakPolarHBondContact CG-O 3.34Å; Q71-Y80 WeakPolarHBondContact CG-O 3.48Å; Q71-Y80 PolarHBondContact NE2-O 2.91Å; Q71-P83 HydrophobicContact CB-CB 4.13Å; Q71-G129 CarbonylContact O-C 3.55Å; Q71-G129 VanDerWaalsContact O-CA 3.26Å; Q71-G129 WeakPolarHBondContact O-CA 3.45Å; Q71-T130 PolarHBondContact N-O 2.95Å; Q71-T130 PolarHBondContact O-N 2.69Å; Q71-F132 HydrophobicContact CB-CE2 3.89Å
72S96.7Very high94.8Very high5 Ų558.1 Ų58.14%0.03532%0.32CS..EExtended strand (participates in β ladder)trans-75.5148.6179.7-171.90000111Q74 S77 Y79S72-Q74 WeakPolarHBondContact OG-CB 3.31Å; S72-Q74 PolarHBondContact OG-N 2.61Å; S72-S77 WeakPolarHBondContact CB-OG 3.36Å; S72-Y79 PolarHBondContact N-O 3.06Å
73N95.7Very high94.8Very high87 Ų8754.2 Ų54.247%0.46531%0.31SS..  trans-92.60.6169.26813.3000113.6P75 N128N73-P75 WeakPolarHBondContact O-CD 3.48Å; N73-N128 PolarHBondContact N-O 3.46Å; N73-N128 VanDerWaalsContact N-O 3.11Å; N73-N128 WeakPolarHBondContact OD1-CB 3.47Å; N73-N128 PolarHBondContact OD1-O 2.89Å; N73-N128 VanDerWaalsContact OD1-O 3.11Å
74Q93.9Very high94.9Very high60 Ų6052.8 Ų52.828%0.2829%0.293SS..  trans-81.4117.8179.8-62.4-177.7-22.100110.1S72 D76 S77 Y80 F125S72-Q74 WeakPolarHBondContact OG-CB 3.31Å; S72-Q74 PolarHBondContact OG-N 2.61Å; Q74-D76 PolarHBondContact O-N 2.78Å; Q74-D76 VanDerWaalsContact O-N 3.16Å; Q74-S77 VanDerWaalsContact O-CB 3.25Å; Q74-S77 WeakPolarHBondContact O-CB 3.37Å; Q74-S77 PolarHBondContact O-N 2.83Å; Q74-Y80 WeakPolarHBondContact O-CD2 3.5Å; Q74-F125 PolarHBondContact NE2-O 2.93Å
75P92.8Very high94.9Very high105 Ų10555.7 Ų55.768%0.68231%0.31SS*.THydrogen-bonded Turntrans-64.2-20.4-173.2-24.535.4000115.5N73 Y80N73-P75 WeakPolarHBondContact O-CD 3.48Å; P75-Y80 HydrophobicContact CB-CE2 4.45Å; P75-Y80 HydrophobicContact CG-CE2 4.32Å
76D92.9Very high95Very high144 Ų14454.9 Ų54.977%0.7731%0.305SS*.THydrogen-bonded Turntrans-88.6-8.5176.157.5-42.6000113.3Q74Q74-D76 PolarHBondContact O-N 2.78Å; Q74-D76 VanDerWaalsContact O-N 3.16Å
77S91.6Very high95Very high29 Ų2955 Ų5520%0.20331%0.306CS..SBendtrans-75.3134.1176.5-1750000111.8S72 Q74 Y79 Y80S72-S77 WeakPolarHBondContact CB-OG 3.36Å; Q74-S77 VanDerWaalsContact O-CB 3.25Å; Q74-S77 WeakPolarHBondContact O-CB 3.37Å; Q74-S77 PolarHBondContact O-N 2.83Å; S77-Y79 PolarHBondContact O-N 2.84Å; S77-Y79 PolarHBondContact OG-N 3.33Å; S77-Y80 VanDerWaalsContact O-CB 3.3Å; S77-Y80 WeakPolarHBondContact O-CB 3.38Å; S77-Y80 PolarHBondContact O-N 2.9Å
78Q90.6Very high95Very high154 Ų15458.5 Ų58.572%0.7232%0.317SS*.THydrogen-bonded Turntrans-57.7-14.7171.468.6-170.65.200113.7
79Y92Very high95Very high43 Ų4359.2 Ų59.217%0.16932%0.32CS..THydrogen-bonded Turntrans-107.217.7179.3-51-64.3000113.8Q71 S72 S77 Y84Q71-Y79 WeakPolarHBondContact CG-O 3.34Å; S72-Y79 PolarHBondContact N-O 3.06Å; S77-Y79 PolarHBondContact O-N 2.84Å; S77-Y79 PolarHBondContact OG-N 3.33Å; Y79-Y84 AromaticContact CD1-CD1 3.15Å; Y79-Y84 HydrophobicContact CD1-CD1 3.15Å; Y79-Y84 AromaticContact CD1-CE1 3.41Å; Y79-Y84 HydrophobicContact CD1-CE1 3.41Å; Y79-Y84 VanDerWaalsContact CD1-CE1 3.41Å; Y79-Y84 AromaticContact CD1-CG 3.83Å; Y79-Y84 HydrophobicContact CD1-CG 3.83Å; Y79-Y84 AromaticContact CD2-CD1 3.98Å; Y79-Y84 HydrophobicContact CD2-CD1 3.98Å; Y79-Y84 AromaticContact CD2-CE1 3.27Å; Y79-Y84 HydrophobicContact CD2-CE1 3.27Å; Y79-Y84 AromaticContact CD2-CZ 3.71Å; Y79-Y84 AromaticContact CE1-CD1 3.57Å; Y79-Y84 HydrophobicContact CE1-CD1 3.57Å; Y79-Y84 HydrophobicContact CE1-CD2 4.32Å; Y79-Y84 AromaticContact CE1-CE1 3.79Å; Y79-Y84 HydrophobicContact CE1-CE1 3.79Å; Y79-Y84 HydrophobicContact CE1-CE2 4.49Å; Y79-Y84 AromaticContact CE1-CG 3.81Å; Y79-Y84 HydrophobicContact CE1-CG 3.81Å; Y79-Y84 HydrophobicContact CE2-CD1 4.31Å; Y79-Y84 AromaticContact CE2-CE1 3.66Å; Y79-Y84 HydrophobicContact CE2-CE1 3.66Å; Y79-Y84 HydrophobicContact CE2-CE2 4.39Å; Y79-Y84 AromaticContact CE2-CZ 3.64Å; Y79-Y84 AromaticContact CG-CD1 3.35Å; Y79-Y84 HydrophobicContact CG-CD1 3.35Å; Y79-Y84 AromaticContact CG-CE1 3.1Å; Y79-Y84 HydrophobicContact CG-CE1 3.1Å; Y79-Y84 HydrophobicContact CG-CG 4.39Å; Y79-Y84 AromaticContact CG-CZ 3.99Å; Y79-Y84 AromaticContact CZ-CE1 3.88Å; Y79-Y84 AromaticContact CZ-CZ 3.88Å
80Y93.3Very high94.9Very high111 Ų11159.9 Ų59.944%0.43533%0.325SS..SBendtrans-68-47.4173.1-178.9-104000111.8Q71 Q74 P75 S77Q71-Y80 WeakPolarHBondContact CG-O 3.48Å; Q71-Y80 PolarHBondContact NE2-O 2.91Å; Q74-Y80 WeakPolarHBondContact O-CD2 3.5Å; P75-Y80 HydrophobicContact CB-CE2 4.45Å; P75-Y80 HydrophobicContact CG-CE2 4.32Å; S77-Y80 VanDerWaalsContact O-CB 3.3Å; S77-Y80 WeakPolarHBondContact O-CB 3.38Å; S77-Y80 PolarHBondContact O-N 2.9Å
81S91.4Very high94.8Very high109 Ų10962.4 Ų62.476%0.76234%0.339SS*.SBendtrans-84.1-15.7-171.6-55.30000114.8
82A93.4Very high94.5Very high54 Ų5462.8 Ų62.845%0.44636%0.357SS..SBendtrans-152.7140.1-176.900000112.1
83P95.2Very high94.4Very high69 Ų6967.8 Ų67.845%0.44838%0.378SS..  trans-74.7154174.231-34.8000112.6F70 Q71 F132F70-P83 CarbonylContact O-C 3.59Å; F70-P83 WeakPolarHBondContact O-CA 3.37Å; Q71-P83 HydrophobicContact CB-CB 4.13Å; P83-F132 HydrophobicContact CB-CD2 4.49Å; P83-F132 HydrophobicContact CB-CE2 4.3Å
84Y94.9Very high94.4Very high27 Ų2766 Ų6611%0.10638%0.375CS..EExtended strand (participates in β ladder)trans-133.7156.9174.968-82.1000112.3T69 F70 Y79 I86 Q98 F101T69-Y84 CarbonylContact C-O 3.54Å; T69-Y84 WeakPolarHBondContact CA-O 3.43Å; T69-Y84 VanDerWaalsContact CB-O 3.26Å; T69-Y84 WeakPolarHBondContact CB-O 3.39Å; F70-Y84 HydrophobicContact CB-CE1 4.42Å; F70-Y84 AromaticContact CD1-CE1 3.65Å; F70-Y84 HydrophobicContact CD1-CE1 3.65Å; F70-Y84 AromaticContact CD1-CZ 3.93Å; F70-Y84 HydrophobicContact CE1-CE1 4.49Å; F70-Y84 PolarHBondContact N-O 3.01Å; F70-Y84 WeakPolarHBondContact O-CD1 3.38Å; F70-Y84 PolarHBondContact O-N 2.92Å; Y79-Y84 AromaticContact CD1-CD1 3.15Å; Y79-Y84 HydrophobicContact CD1-CD1 3.15Å; Y79-Y84 AromaticContact CD1-CE1 3.41Å; Y79-Y84 HydrophobicContact CD1-CE1 3.41Å; Y79-Y84 VanDerWaalsContact CD1-CE1 3.41Å; Y79-Y84 AromaticContact CD1-CG 3.83Å; Y79-Y84 HydrophobicContact CD1-CG 3.83Å; Y79-Y84 AromaticContact CD2-CD1 3.98Å; Y79-Y84 HydrophobicContact CD2-CD1 3.98Å; Y79-Y84 AromaticContact CD2-CE1 3.27Å; Y79-Y84 HydrophobicContact CD2-CE1 3.27Å; Y79-Y84 AromaticContact CD2-CZ 3.71Å; Y79-Y84 AromaticContact CE1-CD1 3.57Å; Y79-Y84 HydrophobicContact CE1-CD1 3.57Å; Y79-Y84 HydrophobicContact CE1-CD2 4.32Å; Y79-Y84 AromaticContact CE1-CE1 3.79Å; Y79-Y84 HydrophobicContact CE1-CE1 3.79Å; Y79-Y84 HydrophobicContact CE1-CE2 4.49Å; Y79-Y84 AromaticContact CE1-CG 3.81Å; Y79-Y84 HydrophobicContact CE1-CG 3.81Å; Y79-Y84 HydrophobicContact CE2-CD1 4.31Å; Y79-Y84 AromaticContact CE2-CE1 3.66Å; Y79-Y84 HydrophobicContact CE2-CE1 3.66Å; Y79-Y84 HydrophobicContact CE2-CE2 4.39Å; Y79-Y84 AromaticContact CE2-CZ 3.64Å; Y79-Y84 AromaticContact CG-CD1 3.35Å; Y79-Y84 HydrophobicContact CG-CD1 3.35Å; Y79-Y84 AromaticContact CG-CE1 3.1Å; Y79-Y84 HydrophobicContact CG-CE1 3.1Å; Y79-Y84 HydrophobicContact CG-CG 4.39Å; Y79-Y84 AromaticContact CG-CZ 3.99Å; Y79-Y84 AromaticContact CZ-CE1 3.88Å; Y79-Y84 AromaticContact CZ-CZ 3.88Å; Y84-I86 HydrophobicContact CD2-CG2 4.09Å; Y84-I86 HydrophobicContact CE2-CG2 3.76Å; Y84-Q98 HydrophobicContact CD2-CB 4.23Å; Y84-Q98 HydrophobicContact CD2-CG 3.46Å; Y84-Q98 VanDerWaalsContact CD2-CG 3.46Å; Y84-Q98 HydrophobicContact CE2-CB 3.91Å; Y84-Q98 HydrophobicContact CE2-CG 3.63Å; Y84-F101 HydrophobicContact CE2-CD2 4.19Å; Y84-F101 HydrophobicContact CE2-CE2 4.45Å; Y84-F101 VanDerWaalsContact OH-CE2 3.29Å; Y84-F101 WeakPolarHBondContact OH-CE2 3.29Å
85V96.5Very high94.5Very high63 Ų6368.2 Ų68.238%0.38238%0.381SS..EExtended strand (participates in β ladder)trans-73.8127.8-178.1-173.20000111.2T69T69-V85 HydrophobicContact CG2-CG2 4.13Å
86I97.2Very high94.6Very high1 Ų166.9 Ų66.91%0.00537%0.373CS..EExtended strand (participates in β ladder)trans-109.5-26.9177.562.6167.7000112.6W68 F70 Y84 G97 F101 V105 I118 F131W68-I86 HydrophobicContact CB-CD1 4.29Å; W68-I86 HydrophobicContact CB-CG1 3.91Å; W68-I86 VanDerWaalsContact O-CG1 3.31Å; W68-I86 WeakPolarHBondContact O-CG1 3.42Å; W68-I86 PolarHBondContact O-N 3.39Å; F70-I86 HydrophobicContact CB-CD1 4.34Å; F70-I86 HydrophobicContact CB-CG2 3.65Å; Y84-I86 HydrophobicContact CD2-CG2 4.09Å; Y84-I86 HydrophobicContact CE2-CG2 3.76Å; I86-G97 WeakPolarHBondContact O-CA 3.5Å; I86-G97 PolarHBondContact O-N 2.9Å; I86-F101 HydrophobicContact CB-CB 4.1Å; I86-F101 HydrophobicContact CB-CD2 4.02Å; I86-F101 HydrophobicContact CB-CG 4.17Å; I86-F101 HydrophobicContact CG2-CB 4.34Å; I86-F101 HydrophobicContact CG2-CD2 3.34Å; I86-F101 HydrophobicContact CG2-CE2 3.76Å; I86-F101 HydrophobicContact CG2-CG 3.99Å; I86-V105 HydrophobicContact CD1-CG2 4.3Å; I86-I118 HydrophobicContact CD1-CD1 3.95Å; I86-F131 HydrophobicContact CD1-CD1 3.52Å; I86-F131 HydrophobicContact CD1-CE1 3.52Å
87L97.8Very high94.4Very high4 Ų461.2 Ų61.22%0.02135%0.348CS..EExtended strand (participates in β ladder)trans-154.9139.8173.4-179.5147.1000109.6W68 F89 A94 Y95 V105 F107 I118W68-L87 HydrophobicContact CB-CB 4.39Å; W68-L87 PolarHBondContact N-O 3.4Å; W68-L87 PolarHBondContact O-N 3.28Å; L87-F89 HydrophobicContact CD2-CB 4.38Å; L87-A94 HydrophobicContact CD1-CB 4.18Å; L87-Y95 WeakPolarHBondContact CA-O 3.48Å; L87-V105 HydrophobicContact CB-CG1 3.92Å; L87-V105 HydrophobicContact CD1-CG1 3.82Å; L87-F107 HydrophobicContact CD1-CB 4.13Å; L87-F107 HydrophobicContact CD2-CB 4.47Å; L87-F107 HydrophobicContact CD2-CD2 4.16Å; L87-I118 HydrophobicContact CD1-CG2 4.21Å; L87-I118 HydrophobicContact CD2-CG2 4.23Å
88Y97.7Very high94.2Very high91 Ų9164.4 Ų64.436%0.35736%0.36SS..EExtended strand (participates in β ladder)trans-122.8138.6169.7-178.2-109.8000109.8S65 V66 Y95S65-Y88 WeakPolarHBondContact CB-OH 3.35Å; V66-Y88 CarbonylContact O-C 3.56Å; V66-Y88 WeakPolarHBondContact O-CA 3.37Å; V66-Y88 VanDerWaalsContact O-CD2 3.25Å; V66-Y88 WeakPolarHBondContact O-CD2 3.13Å; Y88-Y95 HydrophobicContact CD1-CD2 4.33Å; Y88-Y95 PolarHBondContact N-O 2.67Å; Y88-Y95 PolarHBondContact O-N 2.83Å
89F97.8Very high93.9Very high15 Ų1562.6 Ų62.67%0.06635%0.352CS..EExtended strand (participates in β ladder)trans-121.7130.6177.3-177.5-85.2000110.3S65 V66 L87 K93 A94 F107 I111S65-F89 WeakPolarHBondContact CA-O 3.29Å; S65-F89 VanDerWaalsContact CB-O 3.26Å; S65-F89 WeakPolarHBondContact CB-O 3.49Å; V66-F89 HydrophobicContact CB-CB 4.04Å; V66-F89 HydrophobicContact CG2-CB 4.42Å; V66-F89 PolarHBondContact N-O 3.4Å; V66-F89 PolarHBondContact O-N 2.99Å; L87-F89 HydrophobicContact CD2-CB 4.38Å; F89-K93 VanDerWaalsContact CA-O 3.31Å; F89-K93 WeakPolarHBondContact CA-O 3.5Å; F89-K93 WeakPolarHBondContact CD2-O 3.4Å; F89-A94 HydrophobicContact CD2-CB 4.25Å; F89-F107 HydrophobicContact CB-CD2 4.3Å; F89-F107 HydrophobicContact CB-CE2 4.26Å; F89-F107 HydrophobicContact CD2-CB 4.47Å; F89-F107 AromaticContact CD2-CD1 3.73Å; F89-F107 HydrophobicContact CD2-CD1 3.73Å; F89-F107 AromaticContact CD2-CD2 3.96Å; F89-F107 HydrophobicContact CD2-CD2 3.96Å; F89-F107 AromaticContact CD2-CE1 3.82Å; F89-F107 HydrophobicContact CD2-CE1 3.82Å; F89-F107 HydrophobicContact CD2-CE2 4.06Å; F89-F107 AromaticContact CD2-CG 3.79Å; F89-F107 HydrophobicContact CD2-CG 3.79Å; F89-F107 AromaticContact CD2-CZ 3.99Å; F89-F107 HydrophobicContact CD2-CZ 3.99Å; F89-F107 AromaticContact CE2-CD1 3.66Å; F89-F107 HydrophobicContact CE2-CD1 3.66Å; F89-F107 AromaticContact CE2-CE1 3.58Å; F89-F107 HydrophobicContact CE2-CE1 3.58Å; F89-F107 HydrophobicContact CE2-CG 4.21Å; F89-F107 HydrophobicContact CE2-CZ 4.09Å; F89-F107 HydrophobicContact CG-CD2 4.32Å; F89-F107 HydrophobicContact CG-CE1 4.48Å; F89-F107 HydrophobicContact CG-CE2 4.12Å; F89-F107 HydrophobicContact CG-CZ 4.21Å; F89-F107 HydrophobicContact CZ-CE1 4.05Å; F89-F107 HydrophobicContact CZ-CZ 4.39Å; F89-I111 HydrophobicContact CD1-CD1 4.42Å; F89-I111 HydrophobicContact CE1-CB 3.98Å; F89-I111 HydrophobicContact CE1-CD1 4.32Å; F89-I111 HydrophobicContact CE1-CG1 3.99Å; F89-I111 HydrophobicContact CE1-CG2 3.93Å; F89-I111 HydrophobicContact CZ-CB 4.24Å; F89-I111 HydrophobicContact CZ-CG2 4.01Å
90S96.9Very high93.7Very high28 Ų2865 Ų6520%0.19636%0.364CS..EExtended strand (participates in β ladder)trans-161.4155.6175.2-168.60000110.6G92 K93S90-G92 PolarHBondContact O-N 2.82Å; S90-G92 VanDerWaalsContact O-N 3.12Å; S90-K93 PolarHBondContact N-O 3.4Å; S90-K93 PolarHBondContact O-N 2.84Å; S90-K93 VanDerWaalsContact O-O 3.11Å
91D94.7Very high93.5Very high58 Ų5859.8 Ų59.831%0.3134%0.344SS..THydrogen-bonded Turntrans48.237.2-177.4-165.344.1000114.8K62 K93K62-D91 WeakPolarHBondContact CD-OD1 3.32Å; K62-D91 VanDerWaalsContact CG-OD1 3.29Å; K62-D91 WeakPolarHBondContact CG-OD1 3.43Å; K62-D91 IonicContact NZ-OD1 2.74Å; K62-D91 PolarHBondContact NZ-OD1 3.09Å; K62-D91 IonicContact NZ-OD2 3.19Å; D91-K93 VanDerWaalsContact C-N 3.29Å; D91-K93 PolarHBondContact O-N 2.87Å; D91-K93 IonicContact OD2-NZ 3.76Å
92G90.9Very high93.3Very high61 Ų6158 Ų5863%0.62932%0.323SS*.THydrogen-bonded Turntrans72.913.5-178.500000115.2S90S90-G92 PolarHBondContact O-N 2.82Å; S90-G92 VanDerWaalsContact O-N 3.12Å
93K95.4Very high93.2Very high111 Ų11162.4 Ų62.448%0.48333%0.333SS..EExtended strand (participates in β ladder)trans-126.7140.1-175.8-66.4164.1-171.1152.10111.4F89 S90 D91 Y95F89-K93 VanDerWaalsContact CA-O 3.31Å; F89-K93 WeakPolarHBondContact CA-O 3.5Å; F89-K93 WeakPolarHBondContact CD2-O 3.4Å; S90-K93 PolarHBondContact N-O 3.4Å; S90-K93 PolarHBondContact O-N 2.84Å; S90-K93 VanDerWaalsContact O-O 3.11Å; D91-K93 VanDerWaalsContact C-N 3.29Å; D91-K93 PolarHBondContact O-N 2.87Å; D91-K93 IonicContact OD2-NZ 3.76Å; K93-Y95 HydrophobicContact CB-CE2 3.73Å; K93-Y95 WeakPolarHBondContact O-CD2 3.16Å; K93-Y95 WeakPolarHBondContact O-CE2 3.44Å
94A96.3Very high93.2Very high49 Ų4960.3 Ų60.341%0.40532%0.317SS..EExtended strand (participates in β ladder)trans-91.1138.5168.400000110.8L87 F89 F107L87-A94 HydrophobicContact CD1-CB 4.18Å; F89-A94 HydrophobicContact CD2-CB 4.25Å; A94-F107 HydrophobicContact CB-CB 3.8Å
95Y95.6Very high93.3Very high106 Ų10659.5 Ų59.542%0.41632%0.315SS..EExtended strand (participates in β ladder)trans-122.8123.5178-60.3-91.6000107.9L87 Y88 K93L87-Y95 WeakPolarHBondContact CA-O 3.48Å; Y88-Y95 HydrophobicContact CD1-CD2 4.33Å; Y88-Y95 PolarHBondContact N-O 2.67Å; Y88-Y95 PolarHBondContact O-N 2.83Å; K93-Y95 HydrophobicContact CB-CE2 3.73Å; K93-Y95 WeakPolarHBondContact O-CD2 3.16Å; K93-Y95 WeakPolarHBondContact O-CE2 3.44Å
96P93.9Very high93.3Very high77 Ų7761.6 Ų61.650%0.532%0.32SS..EExtended strand (participates in β ladder)trans-69.8149.717928.4-33.9000111.7K102P96-K102 HydrophobicContact CB-CB 3.99Å; P96-K102 HydrophobicContact CB-CG 3.82Å; P96-K102 HydrophobicContact CG-CG 4.02Å
97G90.1Very high93.4Very high25 Ų2563.4 Ų63.426%0.25833%0.328SS..  trans-86.1-133.6169.600000112.4I86I86-G97 WeakPolarHBondContact O-CA 3.5Å; I86-G97 PolarHBondContact O-N 2.9Å
98Q85.9Confident93.4Very high96 Ų9666.6 Ų66.645%0.44935%0.348SS..SBendtrans-61.6155.7-178.8-55-70.3-34.400113.3Y84 E100 F101 K102Y84-Q98 HydrophobicContact CD2-CB 4.23Å; Y84-Q98 HydrophobicContact CD2-CG 3.46Å; Y84-Q98 VanDerWaalsContact CD2-CG 3.46Å; Y84-Q98 HydrophobicContact CE2-CB 3.91Å; Y84-Q98 HydrophobicContact CE2-CG 3.63Å; Q98-E100 VanDerWaalsContact C-N 3.26Å; Q98-E100 WeakPolarHBondContact CB-OE2 3.4Å; Q98-E100 PolarHBondContact O-N 3.4Å; Q98-F101 PolarHBondContact O-N 2.8Å; Q98-F101 VanDerWaalsContact O-N 3.13Å; Q98-K102 WeakPolarHBondContact O-CB 3.49Å; Q98-K102 PolarHBondContact O-N 3.02Å
99E86.1Confident93.3Very high117 Ų11762.9 Ų62.955%0.54734%0.337SS..Hα-helixtrans-59.2-31.4-171.5-63.4-69135.900113.6F101 K102E99-F101 PolarHBondContact O-N 3.06Å; E99-K102 VanDerWaalsContact CD-CD 3.45Å; E99-K102 PolarHBondContact O-N 2.98Å; E99-K102 WeakPolarHBondContact OE1-CD 3.4Å; E99-K102 IonicContact OE1-NZ 3.65Å; E99-K102 PolarHBondContact OE1-NZ 2.87Å; E99-K102 WeakPolarHBondContact OE2-CD 3.42Å; E99-K102 IonicContact OE2-NZ 2.73Å; E99-K102 PolarHBondContact OE2-NZ 3.04Å
100E86.8Confident93.3Very high93 Ų9364.6 Ų64.644%0.43535%0.347SS..Hα-helixtrans-63.6-24.7-179.4-56.475-165.200112.8Q98 R104Q98-E100 VanDerWaalsContact C-N 3.26Å; Q98-E100 WeakPolarHBondContact CB-OE2 3.4Å; Q98-E100 PolarHBondContact O-N 3.4Å; E100-R104 VanDerWaalsContact O-CZ 3.3Å; E100-R104 PolarHBondContact O-NE 2.87Å; E100-R104 PolarHBondContact O-NH2 3.2Å
101F88.8Confident93.2Very high2 Ų264 Ų641%0.00934%0.341CS..Hα-helixtrans-114.6-21.5-180-76.4-64.5000113.6F70 Y84 I86 Q98 E99 H103 R104 V105 L120 D127 F131F70-F101 HydrophobicContact CB-CE2 4.24Å; F70-F101 AromaticContact CD1-CE2 3.59Å; F70-F101 HydrophobicContact CD1-CE2 3.59Å; F70-F101 AromaticContact CD1-CZ 3.89Å; F70-F101 HydrophobicContact CD1-CZ 3.89Å; F70-F101 HydrophobicContact CE1-CE2 4.13Å; F70-F101 HydrophobicContact CE1-CZ 4.12Å; F70-F101 HydrophobicContact CG-CE2 4.01Å; F70-F101 HydrophobicContact CG-CZ 4.12Å; Y84-F101 HydrophobicContact CE2-CD2 4.19Å; Y84-F101 HydrophobicContact CE2-CE2 4.45Å; Y84-F101 VanDerWaalsContact OH-CE2 3.29Å; Y84-F101 WeakPolarHBondContact OH-CE2 3.29Å; I86-F101 HydrophobicContact CB-CB 4.1Å; I86-F101 HydrophobicContact CB-CD2 4.02Å; I86-F101 HydrophobicContact CB-CG 4.17Å; I86-F101 HydrophobicContact CG2-CB 4.34Å; I86-F101 HydrophobicContact CG2-CD2 3.34Å; I86-F101 HydrophobicContact CG2-CE2 3.76Å; I86-F101 HydrophobicContact CG2-CG 3.99Å; Q98-F101 PolarHBondContact O-N 2.8Å; Q98-F101 VanDerWaalsContact O-N 3.13Å; E99-F101 PolarHBondContact O-N 3.06Å; F101-H103 PolarHBondContact O-N 3.46Å; F101-R104 VanDerWaalsContact CE1-NH2 3.31Å; F101-R104 PolarHBondContact O-N 3.4Å; F101-V105 HydrophobicContact CB-CB 4.4Å; F101-V105 HydrophobicContact CB-CG2 3.76Å; F101-V105 HydrophobicContact CD1-CG2 3.51Å; F101-V105 HydrophobicContact CE1-CG2 4.4Å; F101-V105 HydrophobicContact CG-CG2 3.95Å; F101-V105 PolarHBondContact O-N 3.07Å; F101-L120 HydrophobicContact CD1-CD1 3.69Å; F101-L120 HydrophobicContact CE1-CD1 3.69Å; F101-L120 HydrophobicContact CE1-CD2 4.22Å; F101-D127 HydrophobicContact CE1-CB 4.4Å; F101-D127 HydrophobicContact CZ-CB 4.41Å; F101-F131 HydrophobicContact CE1-CE1 4.27Å; F101-F131 HydrophobicContact CE1-CZ 4.21Å; F101-F131 HydrophobicContact CZ-CE1 4.19Å; F101-F131 HydrophobicContact CZ-CZ 4.06Å
102K87Confident93.3Very high72 Ų7267.1 Ų67.131%0.31336%0.358SS..Hα-helixtrans-45.1-34.6-179.4174.3-177.3175.7-174.70116.4P96 Q98 E99P96-K102 HydrophobicContact CB-CB 3.99Å; P96-K102 HydrophobicContact CB-CG 3.82Å; P96-K102 HydrophobicContact CG-CG 4.02Å; Q98-K102 WeakPolarHBondContact O-CB 3.49Å; Q98-K102 PolarHBondContact O-N 3.02Å; E99-K102 VanDerWaalsContact CD-CD 3.45Å; E99-K102 PolarHBondContact O-N 2.98Å; E99-K102 WeakPolarHBondContact OE1-CD 3.4Å; E99-K102 IonicContact OE1-NZ 3.65Å; E99-K102 PolarHBondContact OE1-NZ 2.87Å; E99-K102 WeakPolarHBondContact OE2-CD 3.42Å; E99-K102 IonicContact OE2-NZ 2.73Å; E99-K102 PolarHBondContact OE2-NZ 3.04Å
103H91.6Very high93.5Very high145 Ų14571.7 Ų71.767%0.67136%0.361SS*.THydrogen-bonded Turntrans-104.90.7-179.9-65.2-64.4000114.2F101F101-H103 PolarHBondContact O-N 3.46Å
104R96Very high93.6Very high25 Ų2569.3 Ų69.39%0.09435%0.35CS..THydrogen-bonded Turntrans-121.1-28.3-174-56.8-169.8-60.4131.1-1.5113.6E100 F101 L120 S121 P122 D127E100-R104 VanDerWaalsContact O-CZ 3.3Å; E100-R104 PolarHBondContact O-NE 2.87Å; E100-R104 PolarHBondContact O-NH2 3.2Å; F101-R104 VanDerWaalsContact CE1-NH2 3.31Å; F101-R104 PolarHBondContact O-N 3.4Å; R104-L120 HydrophobicContact CB-CD1 3.92Å; R104-L120 CarbonylContact O-C 3.55Å; R104-L120 WeakPolarHBondContact O-CA 3.23Å; R104-S121 VanDerWaalsContact CA-O 3.29Å; R104-S121 WeakPolarHBondContact CA-O 3.45Å; R104-S121 WeakPolarHBondContact CB-O 3.48Å; R104-S121 PolarHBondContact O-N 2.93Å; R104-P122 PolarHBondContact NH1-O 2.83Å; R104-D127 IonicContact CZ-OD1 3.71Å; R104-D127 IonicContact CZ-OD2 3.73Å; R104-D127 VanDerWaalsContact NH1-CG 3.34Å; R104-D127 IonicContact NH1-OD1 2.67Å; R104-D127 PolarHBondContact NH1-OD1 3.09Å; R104-D127 IonicContact NH1-OD2 2.66Å; R104-D127 PolarHBondContact NH1-OD2 2.86Å; R104-D127 IonicContact NH2-OD1 2.67Å; R104-D127 PolarHBondContact NH2-OD1 3.44Å; R104-D127 IonicContact NH2-OD2 2.68Å
105V97.3Very high93.7Very high11 Ų1169.1 Ų69.17%0.06734%0.342CS..EExtended strand (participates in β ladder)trans-95.2128.4178.21770000110I86 L87 F101 I118 Q119 L120I86-V105 HydrophobicContact CD1-CG2 4.3Å; L87-V105 HydrophobicContact CB-CG1 3.92Å; L87-V105 HydrophobicContact CD1-CG1 3.82Å; F101-V105 HydrophobicContact CB-CB 4.4Å; F101-V105 HydrophobicContact CB-CG2 3.76Å; F101-V105 HydrophobicContact CD1-CG2 3.51Å; F101-V105 HydrophobicContact CE1-CG2 4.4Å; F101-V105 HydrophobicContact CG-CG2 3.95Å; F101-V105 PolarHBondContact O-N 3.07Å; V105-I118 HydrophobicContact CG1-CB 4.2Å; V105-I118 HydrophobicContact CG1-CD1 3.82Å; V105-I118 HydrophobicContact CG1-CG2 4.39Å; V105-Q119 CarbonylContact C-O 3.5Å; V105-Q119 VanDerWaalsContact CA-O 3.29Å; V105-Q119 WeakPolarHBondContact CA-O 3.42Å; V105-L120 HydrophobicContact CG2-CD1 3.77Å
106Q96.3Very high93.8Very high107 Ų10764 Ų6450%0.532%0.323SS..EExtended strand (participates in β ladder)trans-133.9140.7178-65.3176.55500109.5I118 Q119Q106-I118 CarbonylContact O-C 3.55Å; Q106-I118 VanDerWaalsContact O-CA 3.31Å; Q106-I118 WeakPolarHBondContact O-CA 3.25Å; Q106-I118 WeakPolarHBondContact O-CB 3.27Å; Q106-Q119 PolarHBondContact N-O 3.04Å; Q106-Q119 PolarHBondContact O-N 2.94Å
107F97.6Very high94Very high38 Ų3860.7 Ų60.717%0.16730%0.301CS..EExtended strand (participates in β ladder)trans-75.5128171.4-169.7-95.2000109.4V66 L87 F89 A94 G109 I111 I118V66-F107 HydrophobicContact CG2-CE2 4.37Å; L87-F107 HydrophobicContact CD1-CB 4.13Å; L87-F107 HydrophobicContact CD2-CB 4.47Å; L87-F107 HydrophobicContact CD2-CD2 4.16Å; F89-F107 HydrophobicContact CB-CD2 4.3Å; F89-F107 HydrophobicContact CB-CE2 4.26Å; F89-F107 HydrophobicContact CD2-CB 4.47Å; F89-F107 AromaticContact CD2-CD1 3.73Å; F89-F107 HydrophobicContact CD2-CD1 3.73Å; F89-F107 AromaticContact CD2-CD2 3.96Å; F89-F107 HydrophobicContact CD2-CD2 3.96Å; F89-F107 AromaticContact CD2-CE1 3.82Å; F89-F107 HydrophobicContact CD2-CE1 3.82Å; F89-F107 HydrophobicContact CD2-CE2 4.06Å; F89-F107 AromaticContact CD2-CG 3.79Å; F89-F107 HydrophobicContact CD2-CG 3.79Å; F89-F107 AromaticContact CD2-CZ 3.99Å; F89-F107 HydrophobicContact CD2-CZ 3.99Å; F89-F107 AromaticContact CE2-CD1 3.66Å; F89-F107 HydrophobicContact CE2-CD1 3.66Å; F89-F107 AromaticContact CE2-CE1 3.58Å; F89-F107 HydrophobicContact CE2-CE1 3.58Å; F89-F107 HydrophobicContact CE2-CG 4.21Å; F89-F107 HydrophobicContact CE2-CZ 4.09Å; F89-F107 HydrophobicContact CG-CD2 4.32Å; F89-F107 HydrophobicContact CG-CE1 4.48Å; F89-F107 HydrophobicContact CG-CE2 4.12Å; F89-F107 HydrophobicContact CG-CZ 4.21Å; F89-F107 HydrophobicContact CZ-CE1 4.05Å; F89-F107 HydrophobicContact CZ-CZ 4.39Å; A94-F107 HydrophobicContact CB-CB 3.8Å; F107-G109 WeakPolarHBondContact CE1-O 3.38Å; F107-I111 HydrophobicContact CZ-CD1 4.37Å; F107-I118 HydrophobicContact CD2-CG2 4.23Å
108V97.8Very high94.4Very high71 Ų7159.5 Ų59.543%0.4329%0.289SS..  trans-129.4-9.7-175.4-62.80000114.1S117 Q119V108-S117 WeakPolarHBondContact CG2-O 3.33Å; V108-S117 PolarHBondContact N-O 3.31Å; V108-Q119 HydrophobicContact CG1-CB 3.6Å; V108-Q119 HydrophobicContact CG2-CB 4.09Å
109G97.3Very high95Very high13 Ų1357.6 Ų57.613%0.13428%0.28CS..SBendtrans-71.2165.5172.200000113.4F107 D115 S117F107-G109 WeakPolarHBondContact CE1-O 3.38Å; G109-D115 WeakPolarHBondContact CA-OD1 3.19Å; G109-D115 WeakPolarHBondContact CA-OD2 3.39Å; G109-S117 PolarHBondContact N-O 2.66Å
110D96.7Very high95.5Very high52 Ų5252 Ų5228%0.27825%0.254SS..  trans-106.6104.5166-177.2-6.4000109.9N112 K113 K114 D115D110-N112 PolarHBondContact O-N 3.14Å; D110-N112 VanDerWaalsContact O-N 3.09Å; D110-N112 WeakPolarHBondContact OD1-CB 3Å; D110-N112 PolarHBondContact OD1-N 2.84Å; D110-N112 PolarHBondContact OD1-ND2 2.86Å; D110-K113 HydrophobicContact CB-CB 4.27Å; D110-K113 HydrophobicContact CB-CD 4.44Å; D110-K113 HydrophobicContact CB-CG 4.23Å; D110-K113 CarbonylContact O-C 3.57Å; D110-K113 WeakPolarHBondContact O-CA 3.02Å; D110-K113 PolarHBondContact O-N 2.84Å; D110-K113 IonicContact OD2-NZ 3.58Å; D110-K113 PolarHBondContact OD2-NZ 3.42Å; D110-K114 PolarHBondContact O-N 2.75Å; D110-D115 CarbonylContact C-O 3.58Å; D110-D115 PolarHBondContact N-O 3.07Å; D110-D115 PolarHBondContact O-N 2.58Å
111I96.3Very high96Very high15 Ų1549.3 Ų49.38%0.07725%0.245CC..G310 helixtrans-56-30.8-177.8-160.775000112.3F54 V60 T64 V66 F89 F107 K113 K114 D115F54-I111 HydrophobicContact CE1-CD1 3.92Å; F54-I111 HydrophobicContact CZ-CD1 4.26Å; V60-I111 HydrophobicContact CG1-CG1 3.96Å; V60-I111 HydrophobicContact CG1-CG2 4.22Å; T64-I111 HydrophobicContact CG2-CD1 4.37Å; T64-I111 HydrophobicContact CG2-CG1 4.27Å; V66-I111 HydrophobicContact CG2-CD1 3.58Å; F89-I111 HydrophobicContact CD1-CD1 4.42Å; F89-I111 HydrophobicContact CE1-CB 3.98Å; F89-I111 HydrophobicContact CE1-CD1 4.32Å; F89-I111 HydrophobicContact CE1-CG1 3.99Å; F89-I111 HydrophobicContact CE1-CG2 3.93Å; F89-I111 HydrophobicContact CZ-CB 4.24Å; F89-I111 HydrophobicContact CZ-CG2 4.01Å; F107-I111 HydrophobicContact CZ-CD1 4.37Å; I111-K113 VanDerWaalsContact C-N 3.27Å; I111-K113 PolarHBondContact O-N 2.77Å; I111-K114 WeakPolarHBondContact O-CA 3.45Å; I111-K114 PolarHBondContact O-N 2.67Å; I111-D115 WeakPolarHBondContact CA-O 3.46Å; I111-D115 PolarHBondContact N-O 2.89Å
112N95Very high96.4Very high123 Ų12352 Ų5266%0.65826%0.263SS*.G310 helixtrans-73.5-20.5179.6-47.2-84.3000112.4D110 K114D110-N112 PolarHBondContact O-N 3.14Å; D110-N112 VanDerWaalsContact O-N 3.09Å; D110-N112 WeakPolarHBondContact OD1-CB 3Å; D110-N112 PolarHBondContact OD1-N 2.84Å; D110-N112 PolarHBondContact OD1-ND2 2.86Å; N112-K114 VanDerWaalsContact C-N 3.32Å
113K96.5Very high96.9Very high158 Ų15848.6 Ų48.669%0.68725%0.248SC*.G310 helixtrans-94.915.1170.1-60.6-170.5-174.579.20112.5D110 I111 D115D110-K113 HydrophobicContact CB-CB 4.27Å; D110-K113 HydrophobicContact CB-CD 4.44Å; D110-K113 HydrophobicContact CB-CG 4.23Å; D110-K113 CarbonylContact O-C 3.57Å; D110-K113 WeakPolarHBondContact O-CA 3.02Å; D110-K113 PolarHBondContact O-N 2.84Å; D110-K113 IonicContact OD2-NZ 3.58Å; D110-K113 PolarHBondContact OD2-NZ 3.42Å; I111-K113 VanDerWaalsContact C-N 3.27Å; I111-K113 PolarHBondContact O-N 2.77Å; K113-D115 PolarHBondContact O-N 2.85Å
114K96.3Very high97.1Very high60 Ų6045.5 Ų45.526%0.26123%0.234SC..THydrogen-bonded Turntrans5931-173.9-54.1177.6168.8173.40113.9T53 F54 D55 S56 D110 I111 N112T53-K114 VanDerWaalsContact CA-O 3.27Å; T53-K114 WeakPolarHBondContact CA-O 3.37Å; T53-K114 WeakPolarHBondContact CB-O 3.4Å; F54-K114 HydrophobicContact CD1-CB 4.05Å; F54-K114 VanDerWaalsContact CD1-O 3.25Å; F54-K114 WeakPolarHBondContact CD1-O 3.44Å; F54-K114 HydrophobicContact CD2-CB 4.05Å; F54-K114 HydrophobicContact CD2-CD 4.44Å; F54-K114 HydrophobicContact CD2-CG 4.19Å; F54-K114 VanDerWaalsContact CE1-CA 3.45Å; F54-K114 HydrophobicContact CE1-CB 3.94Å; F54-K114 HydrophobicContact CE2-CB 3.95Å; F54-K114 HydrophobicContact CE2-CD 4.43Å; F54-K114 HydrophobicContact CE2-CG 3.83Å; F54-K114 HydrophobicContact CG-CB 4.12Å; F54-K114 HydrophobicContact CZ-CB 3.9Å; F54-K114 HydrophobicContact CZ-CG 4.07Å; F54-K114 PolarHBondContact N-O 2.79Å; F54-K114 VanDerWaalsContact O-CB 3.23Å; F54-K114 WeakPolarHBondContact O-CB 3.35Å; F54-K114 WeakPolarHBondContact O-CD 3.32Å; D55-K114 IonicContact OD1-NZ 2.83Å; D55-K114 PolarHBondContact OD1-NZ 3Å; S56-K114 PolarHBondContact O-NZ 3.41Å; D110-K114 PolarHBondContact O-N 2.75Å; I111-K114 WeakPolarHBondContact O-CA 3.45Å; I111-K114 PolarHBondContact O-N 2.67Å; N112-K114 VanDerWaalsContact C-N 3.32Å
115D98Very high97.1Very high45 Ų4548.3 Ų48.324%0.24125%0.247CC..BIsolated β-bridgetrans-106.9123.1176.5-179.43.6000110.6T53 G109 D110 I111 K113 S117T53-D115 HydrophobicContact CG2-CB 4.35Å; G109-D115 WeakPolarHBondContact CA-OD1 3.19Å; G109-D115 WeakPolarHBondContact CA-OD2 3.39Å; D110-D115 CarbonylContact C-O 3.58Å; D110-D115 PolarHBondContact N-O 3.07Å; D110-D115 PolarHBondContact O-N 2.58Å; I111-D115 WeakPolarHBondContact CA-O 3.46Å; I111-D115 PolarHBondContact N-O 2.89Å; K113-D115 PolarHBondContact O-N 2.85Å; D115-S117 WeakPolarHBondContact OD1-CB 3.24Å; D115-S117 PolarHBondContact OD1-N 2.81Å; D115-S117 PolarHBondContact OD1-OG 2.03Å
116A98.1Very high96.9Very high0 Ų050.3 Ų50.30%026%0.261CS..  trans-116.813.5-17500000112.4C52 F54 V66 W68 V135C52-A116 HydrophobicContact CB-CB 4.2Å; C52-A116 CarbonylContact O-C 3.5Å; C52-A116 WeakPolarHBondContact O-CA 3.33Å; C52-A116 PolarHBondContact O-N 3.49Å; F54-A116 HydrophobicContact CD1-CB 4.47Å; V66-A116 HydrophobicContact CG1-CB 4Å; V66-A116 HydrophobicContact CG2-CB 3.82Å; W68-A116 PolarHBondContact NE1-O 2.92Å; A116-V135 HydrophobicContact CB-CG2 4.02Å
117S98.6Very high96.9Very high7 Ų745.3 Ų45.35%0.04924%0.238CC..  trans-63145.7-172.4-56.40000114L50 R51 C52 V108 G109 D115L50-S117 WeakPolarHBondContact O-CA 3.2Å; R51-S117 WeakPolarHBondContact CA-OG 3.33Å; C52-S117 PolarHBondContact N-OG 2.9Å; C52-S117 PolarHBondContact O-N 2.8Å; C52-S117 PolarHBondContact O-OG 3.45Å; V108-S117 WeakPolarHBondContact CG2-O 3.33Å; V108-S117 PolarHBondContact N-O 3.31Å; G109-S117 PolarHBondContact N-O 2.66Å; D115-S117 WeakPolarHBondContact OD1-CB 3.24Å; D115-S117 PolarHBondContact OD1-N 2.81Å; D115-S117 PolarHBondContact OD1-OG 2.03Å
118I98.6Very high96.8Very high0 Ų044.8 Ų44.80%024%0.237CC..EExtended strand (participates in β ladder)trans-118.1152.7173.359.7170.3000111.9L50 W68 I86 L87 V105 Q106 F107L50-I118 HydrophobicContact CB-CG1 3.96Å; L50-I118 HydrophobicContact CD1-CD1 3.93Å; L50-I118 HydrophobicContact CD1-CG1 4.1Å; L50-I118 HydrophobicContact CG-CG1 4.5Å; L50-I118 PolarHBondContact N-O 3.42Å; L50-I118 PolarHBondContact O-N 2.83Å; L50-I118 VanDerWaalsContact O-N 3.14Å; W68-I118 HydrophobicContact CB-CD1 4.05Å; W68-I118 VanDerWaalsContact CD1-CG2 3.49Å; W68-I118 HydrophobicContact CD2-CD1 3.51Å; W68-I118 HydrophobicContact CD2-CG1 3.82Å; W68-I118 HydrophobicContact CD2-CG2 4.42Å; W68-I118 HydrophobicContact CE3-CD1 3.78Å; W68-I118 HydrophobicContact CE3-CG1 4.24Å; W68-I118 HydrophobicContact CG-CD1 3.67Å; W68-I118 HydrophobicContact CG-CG1 4.21Å; W68-I118 HydrophobicContact CG-CG2 4.07Å; W68-I118 HydrophobicContact CH2-CG1 4.28Å; W68-I118 HydrophobicContact CZ2-CD1 4.43Å; W68-I118 HydrophobicContact CZ2-CG1 3.86Å; W68-I118 HydrophobicContact CZ3-CD1 4.36Å; W68-I118 HydrophobicContact CZ3-CG1 4.47Å; I86-I118 HydrophobicContact CD1-CD1 3.95Å; L87-I118 HydrophobicContact CD1-CG2 4.21Å; L87-I118 HydrophobicContact CD2-CG2 4.23Å; V105-I118 HydrophobicContact CG1-CB 4.2Å; V105-I118 HydrophobicContact CG1-CD1 3.82Å; V105-I118 HydrophobicContact CG1-CG2 4.39Å; Q106-I118 CarbonylContact O-C 3.55Å; Q106-I118 VanDerWaalsContact O-CA 3.31Å; Q106-I118 WeakPolarHBondContact O-CA 3.25Å; Q106-I118 WeakPolarHBondContact O-CB 3.27Å; F107-I118 HydrophobicContact CD2-CG2 4.23Å
119Q98Very high96.8Very high55 Ų5541.5 Ų41.526%0.25722%0.218SC..EExtended strand (participates in β ladder)trans-106.8134.8170.7-175.8-175-96.300109.3T47 A48 V49 V105 Q106 V108T47-Q119 HydrophobicContact CG2-CG 3.32Å; A48-Q119 CarbonylContact O-C 3.58Å; A48-Q119 WeakPolarHBondContact O-CA 3.48Å; V49-Q119 HydrophobicContact CG2-CG 4.42Å; V105-Q119 CarbonylContact C-O 3.5Å; V105-Q119 VanDerWaalsContact CA-O 3.29Å; V105-Q119 WeakPolarHBondContact CA-O 3.42Å; Q106-Q119 PolarHBondContact N-O 3.04Å; Q106-Q119 PolarHBondContact O-N 2.94Å; V108-Q119 HydrophobicContact CG1-CB 3.6Å; V108-Q119 HydrophobicContact CG2-CB 4.09Å
120L98.1Very high96.9Very high0 Ų041.6 Ų41.60%022%0.216CC..EExtended strand (participates in β ladder)trans-114.7117.9172.517164.8000109.1T47 A48 F101 R104 V105 A123 D127 F131 L150T47-L120 WeakPolarHBondContact CA-O 3.4Å; A48-L120 HydrophobicContact CB-CB 4.34Å; A48-L120 PolarHBondContact N-O 3.41Å; A48-L120 PolarHBondContact O-N 3.49Å; F101-L120 HydrophobicContact CD1-CD1 3.69Å; F101-L120 HydrophobicContact CE1-CD1 3.69Å; F101-L120 HydrophobicContact CE1-CD2 4.22Å; R104-L120 HydrophobicContact CB-CD1 3.92Å; R104-L120 CarbonylContact O-C 3.55Å; R104-L120 WeakPolarHBondContact O-CA 3.23Å; V105-L120 HydrophobicContact CG2-CD1 3.77Å; L120-A123 HydrophobicContact CD2-CB 4.43Å; L120-D127 HydrophobicContact CD2-CB 4.01Å; L120-F131 HydrophobicContact CD2-CE1 4.47Å; L120-F131 HydrophobicContact CD2-CZ 3.94Å; L120-L150 HydrophobicContact CD2-CD2 3.66Å
121S97.1Very high96.9Very high36 Ų3639.1 Ų39.125%0.25220%0.203SC..SBendtrans-150.9131179.6-162.50000112.9T47 R104T47-S121 WeakPolarHBondContact OG1-CB 3.42Å; T47-S121 PolarHBondContact OG1-OG 2.92Å; R104-S121 VanDerWaalsContact CA-O 3.29Å; R104-S121 WeakPolarHBondContact CA-O 3.45Å; R104-S121 WeakPolarHBondContact CB-O 3.48Å; R104-S121 PolarHBondContact O-N 2.93Å
122P96.8Very high97Very high59 Ų5939.9 Ų39.938%0.38321%0.205SC..SBendcis-70.4144.7-12.630.1-34.4000111.4R104R104-P122 PolarHBondContact NH1-O 2.83Å
123A96.8Very high97.2Very high0 Ų034 Ų340%017%0.174CC..  trans-74.9139165.700000110.6V42 G45 T46 A48 L120 D127 V152V42-A123 HydrophobicContact CG2-CB 3.83Å; G45-A123 PolarHBondContact N-O 2.74Å; T46-A123 WeakPolarHBondContact O-CB 3.43Å; T46-A123 PolarHBondContact O-N 3.37Å; A48-A123 HydrophobicContact CB-CB 4.45Å; L120-A123 HydrophobicContact CD2-CB 4.43Å; A123-D127 WeakPolarHBondContact CA-OD2 3.31Å; A123-V152 HydrophobicContact CB-CG2 4.17Å
124Q95.8Very high97.2Very high81 Ų8128.2 Ų28.238%0.37915%0.15SC..  trans-131.6157-172.8-66.1-176.589.600111.3N44 S126 D127 V152N44-Q124 WeakPolarHBondContact OD1-CA 3.38Å; Q124-S126 WeakPolarHBondContact CB-OG 3.43Å; Q124-S126 PolarHBondContact O-N 3.09Å; Q124-S126 VanDerWaalsContact O-N 3.08Å; Q124-D127 PolarHBondContact N-OD2 2.73Å; Q124-D127 WeakPolarHBondContact O-CB 3.31Å; Q124-D127 PolarHBondContact O-N 2.9Å; Q124-V152 WeakPolarHBondContact O-CG2 3.3Å
125F95.4Very high97.2Very high84 Ų8425.4 Ų25.437%0.36814%0.138SC..G310 helixtrans-59.3-21.5178.1-60.7-61.2000114.8N44 Q74 D127 N128 V152 Q154N44-F125 HydrophobicContact CB-CD1 4.42Å; N44-F125 HydrophobicContact CB-CD2 4.42Å; N44-F125 HydrophobicContact CB-CE1 3.8Å; N44-F125 HydrophobicContact CB-CE2 3.81Å; N44-F125 HydrophobicContact CB-CZ 3.45Å; N44-F125 VanDerWaalsContact CB-CZ 3.45Å; N44-F125 VanDerWaalsContact CG-CE2 3.44Å; N44-F125 PolarHBondContact OD1-N 3.44Å; Q74-F125 PolarHBondContact NE2-O 2.93Å; F125-D127 VanDerWaalsContact C-N 3.27Å; F125-N128 WeakPolarHBondContact O-CB 3.44Å; F125-N128 PolarHBondContact O-ND2 3.45Å; F125-V152 HydrophobicContact CD1-CB 4.32Å; F125-V152 HydrophobicContact CD1-CG1 4.06Å; F125-V152 VanDerWaalsContact CD1-O 3.32Å; F125-V152 WeakPolarHBondContact CD1-O 3.42Å; F125-V152 HydrophobicContact CE1-CG1 4.31Å; F125-V152 WeakPolarHBondContact CE1-O 3.44Å; F125-Q154 HydrophobicContact CE1-CG 4.23Å; F125-Q154 HydrophobicContact CZ-CB 4.48Å; F125-Q154 HydrophobicContact CZ-CG 3.91Å
126S93.9Very high97.1Very high52 Ų5227 Ų2736%0.36414%0.143SC..G310 helixtrans-65.8-26170.351.50000113.9Q124 N128Q124-S126 WeakPolarHBondContact CB-OG 3.43Å; Q124-S126 PolarHBondContact O-N 3.09Å; Q124-S126 VanDerWaalsContact O-N 3.08Å; S126-N128 PolarHBondContact O-N 2.82Å
127D95.6Very high97Very high2 Ų227 Ų271%0.01114%0.143CC..G310 helixtrans-852.8-176.9-44.4-30.4000111.7F70 F101 R104 L120 A123 Q124 F125 G129 F131 L150F70-D127 VanDerWaalsContact CE2-O 3.31Å; F70-D127 WeakPolarHBondContact CE2-O 3.32Å; F101-D127 HydrophobicContact CE1-CB 4.4Å; F101-D127 HydrophobicContact CZ-CB 4.41Å; R104-D127 IonicContact CZ-OD1 3.71Å; R104-D127 IonicContact CZ-OD2 3.73Å; R104-D127 VanDerWaalsContact NH1-CG 3.34Å; R104-D127 IonicContact NH1-OD1 2.67Å; R104-D127 PolarHBondContact NH1-OD1 3.09Å; R104-D127 IonicContact NH1-OD2 2.66Å; R104-D127 PolarHBondContact NH1-OD2 2.86Å; R104-D127 IonicContact NH2-OD1 2.67Å; R104-D127 PolarHBondContact NH2-OD1 3.44Å; R104-D127 IonicContact NH2-OD2 2.68Å; L120-D127 HydrophobicContact CD2-CB 4.01Å; A123-D127 WeakPolarHBondContact CA-OD2 3.31Å; Q124-D127 PolarHBondContact N-OD2 2.73Å; Q124-D127 WeakPolarHBondContact O-CB 3.31Å; Q124-D127 PolarHBondContact O-N 2.9Å; F125-D127 VanDerWaalsContact C-N 3.27Å; D127-G129 PolarHBondContact O-N 2.84Å; D127-F131 HydrophobicContact CB-CZ 4.39Å; D127-F131 WeakPolarHBondContact O-CE2 3.14Å; D127-L150 HydrophobicContact CB-CD2 4.03Å
128N96.8Very high96.6Very high27 Ų2729.5 Ų29.514%0.14416%0.159CC..  trans-62.1123170.4-79.9-57.8000109.6N73 F125 S126 L150 R151 V152N73-N128 PolarHBondContact N-O 3.46Å; N73-N128 VanDerWaalsContact N-O 3.11Å; N73-N128 WeakPolarHBondContact OD1-CB 3.47Å; N73-N128 PolarHBondContact OD1-O 2.89Å; N73-N128 VanDerWaalsContact OD1-O 3.11Å; F125-N128 WeakPolarHBondContact O-CB 3.44Å; F125-N128 PolarHBondContact O-ND2 3.45Å; S126-N128 PolarHBondContact O-N 2.82Å; N128-L150 PolarHBondContact OD1-O 3.43Å; N128-R151 WeakPolarHBondContact OD1-CA 3.48Å; N128-V152 PolarHBondContact OD1-N 3.4Å
129G97.3Very high96.2Very high3 Ų333 Ų333%0.03118%0.182CC..EExtended strand (participates in β ladder)trans160.5-165-172.600000113.4Q71 D127 L150Q71-G129 CarbonylContact O-C 3.55Å; Q71-G129 VanDerWaalsContact O-CA 3.26Å; Q71-G129 WeakPolarHBondContact O-CA 3.45Å; D127-G129 PolarHBondContact O-N 2.84Å; G129-L150 PolarHBondContact N-O 2.93Å; G129-L150 PolarHBondContact O-N 2.97Å
130T98.4Very high95.7Very high15 Ų1530.3 Ų30.39%0.09217%0.169CC..EExtended strand (participates in β ladder)trans-106126.5175.2-53.40000109.8F70 Q71 F132 R147 T148F70-T130 WeakPolarHBondContact CA-O 3.39Å; Q71-T130 PolarHBondContact N-O 2.95Å; Q71-T130 PolarHBondContact O-N 2.69Å; T130-F132 HydrophobicContact CG2-CD1 4.03Å; T130-F132 HydrophobicContact CG2-CD2 3.97Å; T130-F132 HydrophobicContact CG2-CE1 3.61Å; T130-F132 HydrophobicContact CG2-CE2 3.53Å; T130-F132 HydrophobicContact CG2-CG 4.21Å; T130-F132 HydrophobicContact CG2-CZ 3.35Å; T130-R147 HydrophobicContact CG2-CG 3.42Å; T130-R147 VanDerWaalsContact CG2-CG 3.42Å; T130-R147 VanDerWaalsContact CG2-NE 3.34Å; T130-R147 PolarHBondContact OG1-NH2 2.86Å; T130-T148 WeakPolarHBondContact CA-O 3.31Å
131F98.2Very high95.1Very high0 Ų033.5 Ų33.50%019%0.188CC..EExtended strand (participates in β ladder)trans-97.8141.7166.3-68.5-101.4000109L50 W68 T69 F70 I86 F101 L120 D127 T148 L150L50-F131 HydrophobicContact CD1-CB 3.9Å; L50-F131 HydrophobicContact CD1-CD1 3.37Å; L50-F131 HydrophobicContact CD1-CD2 3.94Å; L50-F131 HydrophobicContact CD1-CE1 3.81Å; L50-F131 HydrophobicContact CD1-CE2 4.34Å; L50-F131 HydrophobicContact CD1-CG 3.45Å; L50-F131 VanDerWaalsContact CD1-CG 3.45Å; L50-F131 HydrophobicContact CD1-CZ 4.28Å; W68-F131 HydrophobicContact CE3-CB 4.19Å; W68-F131 HydrophobicContact CZ3-CB 3.89Å; T69-F131 CarbonylContact O-C 3.57Å; T69-F131 WeakPolarHBondContact O-CA 3.06Å; F70-F131 HydrophobicContact CB-CD1 4.22Å; F70-F131 HydrophobicContact CB-CE1 4.15Å; F70-F131 AromaticContact CD2-CD1 3.98Å; F70-F131 HydrophobicContact CD2-CD1 3.98Å; F70-F131 AromaticContact CD2-CD2 3.72Å; F70-F131 HydrophobicContact CD2-CD2 3.72Å; F70-F131 AromaticContact CD2-CE1 3.7Å; F70-F131 HydrophobicContact CD2-CE1 3.7Å; F70-F131 AromaticContact CD2-CE2 3.39Å; F70-F131 HydrophobicContact CD2-CE2 3.39Å; F70-F131 AromaticContact CD2-CG 3.99Å; F70-F131 HydrophobicContact CD2-CG 3.99Å; F70-F131 AromaticContact CD2-CZ 3.38Å; F70-F131 HydrophobicContact CD2-CZ 3.38Å; F70-F131 HydrophobicContact CE2-CD2 4.07Å; F70-F131 HydrophobicContact CE2-CE1 4.43Å; F70-F131 AromaticContact CE2-CE2 3.45Å; F70-F131 HydrophobicContact CE2-CE2 3.45Å; F70-F131 VanDerWaalsContact CE2-CE2 3.45Å; F70-F131 AromaticContact CE2-CZ 3.67Å; F70-F131 HydrophobicContact CE2-CZ 3.67Å; F70-F131 HydrophobicContact CG-CD1 4.5Å; F70-F131 HydrophobicContact CG-CE1 4.14Å; F70-F131 HydrophobicContact CG-CZ 4.14Å; I86-F131 HydrophobicContact CD1-CD1 3.52Å; I86-F131 HydrophobicContact CD1-CE1 3.52Å; F101-F131 HydrophobicContact CE1-CE1 4.27Å; F101-F131 HydrophobicContact CE1-CZ 4.21Å; F101-F131 HydrophobicContact CZ-CE1 4.19Å; F101-F131 HydrophobicContact CZ-CZ 4.06Å; L120-F131 HydrophobicContact CD2-CE1 4.47Å; L120-F131 HydrophobicContact CD2-CZ 3.94Å; D127-F131 HydrophobicContact CB-CZ 4.39Å; D127-F131 WeakPolarHBondContact O-CE2 3.14Å; F131-T148 PolarHBondContact N-O 2.87Å; F131-T148 PolarHBondContact O-N 2.86Å; F131-L150 HydrophobicContact CD2-CB 3.76Å; F131-L150 HydrophobicContact CD2-CD2 4.34Å; F131-L150 HydrophobicContact CE2-CB 3.57Å; F131-L150 HydrophobicContact CE2-CD2 3.48Å; F131-L150 VanDerWaalsContact CE2-CD2 3.48Å; F131-L150 HydrophobicContact CE2-CG 4.16Å; F131-L150 HydrophobicContact CZ-CD2 3.94Å
132F98.3Very high94.5Very high30 Ų3034.7 Ų34.713%0.13220%0.197CC..EExtended strand (participates in β ladder)trans-129.6137.5179.3-48.6-105000111.5W68 T69 Q71 P83 T130 Q145 G146 R147W68-F132 WeakPolarHBondContact CA-O 3.42Å; T69-F132 PolarHBondContact N-O 3.02Å; T69-F132 PolarHBondContact O-N 2.78Å; Q71-F132 HydrophobicContact CB-CE2 3.89Å; P83-F132 HydrophobicContact CB-CD2 4.49Å; P83-F132 HydrophobicContact CB-CE2 4.3Å; T130-F132 HydrophobicContact CG2-CD1 4.03Å; T130-F132 HydrophobicContact CG2-CD2 3.97Å; T130-F132 HydrophobicContact CG2-CE1 3.61Å; T130-F132 HydrophobicContact CG2-CE2 3.53Å; T130-F132 HydrophobicContact CG2-CG 4.21Å; T130-F132 HydrophobicContact CG2-CZ 3.35Å; F132-Q145 HydrophobicContact CB-CG 3.89Å; F132-Q145 VanDerWaalsContact CB-NE2 3.27Å; F132-G146 CarbonylContact C-O 3.55Å; F132-G146 WeakPolarHBondContact CA-O 3.46Å; F132-R147 HydrophobicContact CD1-CB 4.23Å; F132-R147 HydrophobicContact CD1-CG 3.98Å; F132-R147 HydrophobicContact CE1-CG 3.93Å
133C98.2Very high93.9Very high0 Ų034 Ų340%020%0.201CC..EExtended strand (participates in β ladder)trans-112.7107.2-179.4-178.10000110.3C52 W68 Q145 G146C52-C133 HydrophobicContact CB-CB 3.66Å; C52-C133 WeakPolarHBondContact CB-SG 3.27Å; C52-C133 WeakPolarHBondContact SG-CB 3.37Å; C52-C133 CovalentContact SG-SG 2.03Å; C52-C133 PolarHBondContact SG-SG 3.38Å; W68-C133 HydrophobicContact CD2-CB 4.04Å; W68-C133 HydrophobicContact CE3-CB 4.08Å; W68-C133 HydrophobicContact CH2-CB 3.82Å; W68-C133 HydrophobicContact CZ2-CB 3.76Å; W68-C133 HydrophobicContact CZ3-CB 3.96Å; C133-Q145 WeakPolarHBondContact O-CG 3.18Å; C133-G146 PolarHBondContact N-O 2.93Å; C133-G146 PolarHBondContact O-N 3.21Å
134D97.2Very high93.5Very high36 Ų3639.9 Ų39.919%0.19324%0.237CC..EExtended strand (participates in β ladder)trans-97.8127.5171.6171.431.2000108.5V66 S67 K136 Q145V66-D134 CarbonylContact C-O 3.17Å; V66-D134 VanDerWaalsContact CA-O 3.29Å; V66-D134 WeakPolarHBondContact CA-O 3.39Å; S67-D134 PolarHBondContact N-O 2.82Å; S67-D134 PolarHBondContact O-N 2.99Å; D134-K136 VanDerWaalsContact OD1-CE 3.32Å; D134-K136 WeakPolarHBondContact OD1-CE 3.47Å; D134-K136 IonicContact OD1-NZ 3.27Å; D134-K136 PolarHBondContact OD1-NZ 2.97Å; D134-K136 WeakPolarHBondContact OD2-CE 3.26Å; D134-K136 IonicContact OD2-NZ 2.64Å; D134-K136 PolarHBondContact OD2-NZ 2.9Å; D134-Q145 HydrophobicContact CB-CG 3.85Å
135V97.1Very high93.5Very high1 Ų139.4 Ų39.41%0.00624%0.235CC..EExtended strand (participates in β ladder)trans-126.3133.9178.5-174.70000108.1I32 I34 F54 S65 V66 A116I32-V135 HydrophobicContact CD1-CB 4Å; I32-V135 HydrophobicContact CD1-CG1 3.74Å; I34-V135 HydrophobicContact CD1-CB 3.88Å; I34-V135 HydrophobicContact CD1-CG2 4.05Å; I34-V135 HydrophobicContact CG1-CB 4.39Å; I34-V135 HydrophobicContact CG1-CG2 4.48Å; F54-V135 HydrophobicContact CB-CG1 4.49Å; F54-V135 HydrophobicContact CD1-CB 4.42Å; F54-V135 HydrophobicContact CD1-CG1 3.73Å; F54-V135 HydrophobicContact CD1-CG2 4.17Å; F54-V135 HydrophobicContact CD2-CG1 4.2Å; F54-V135 HydrophobicContact CE1-CG1 3.84Å; F54-V135 HydrophobicContact CE2-CG1 4.3Å; F54-V135 HydrophobicContact CG-CB 4.48Å; F54-V135 HydrophobicContact CG-CG1 3.9Å; F54-V135 HydrophobicContact CZ-CG1 4.12Å; S65-V135 WeakPolarHBondContact O-CA 3.2Å; V66-V135 HydrophobicContact CG1-CG2 4.26Å; V66-V135 HydrophobicContact CG2-CG1 4.42Å; V66-V135 HydrophobicContact CG2-CG2 4.28Å; A116-V135 HydrophobicContact CB-CG2 4.02Å
136K95.3Very high93.6Very high78 Ų7835.7 Ų35.734%0.33922%0.22SC..EExtended strand (participates in β ladder)trans-127.9125.7177.6-75.2160.9-178147.50108.9T64 S65 D134 V141T64-K136 CarbonylContact C-O 3.51Å; T64-K136 VanDerWaalsContact CA-O 3.26Å; T64-K136 WeakPolarHBondContact CA-O 3.49Å; T64-K136 WeakPolarHBondContact CG2-O 3.43Å; S65-K136 PolarHBondContact N-O 3.29Å; S65-K136 PolarHBondContact O-N 2.85Å; D134-K136 VanDerWaalsContact OD1-CE 3.32Å; D134-K136 WeakPolarHBondContact OD1-CE 3.47Å; D134-K136 IonicContact OD1-NZ 3.27Å; D134-K136 PolarHBondContact OD1-NZ 2.97Å; D134-K136 WeakPolarHBondContact OD2-CE 3.26Å; D134-K136 IonicContact OD2-NZ 2.64Å; D134-K136 PolarHBondContact OD2-NZ 2.9Å; K136-V141 HydrophobicContact CB-CG1 4.22Å; K136-V141 HydrophobicContact CG-CB 4.24Å; K136-V141 HydrophobicContact CG-CG1 4.4Å
137N94.6Very high93.8Very high0 Ų038.8 Ų38.80%022%0.223CC..BIsolated β-bridgetrans-128.670.5-178.5-168.141.2000110.1I32 S56 E58 T64 D140I32-N137 HydrophobicContact CD1-CB 4.04Å; S56-N137 PolarHBondContact OG-ND2 3.4Å; E58-N137 PolarHBondContact O-ND2 3.08Å; T64-N137 HydrophobicContact CG2-CB 4.12Å; T64-N137 WeakPolarHBondContact CG2-OD1 3.38Å; T64-N137 PolarHBondContact OG1-OD1 3.46Å; N137-D140 CarbonylContact C-O 3.47Å; N137-D140 HydrophobicContact CB-CB 4.44Å; N137-D140 PolarHBondContact N-O 2.86Å; N137-D140 WeakPolarHBondContact O-CA 3.17Å; N137-D140 WeakPolarHBondContact O-CB 3.22Å; N137-D140 PolarHBondContact O-N 2.83Å
138P91.8Very high93.9Very high61 Ų6138.7 Ų38.740%0.39622%0.223SC..THydrogen-bonded Turntrans-54.8133-164.8-24.733.4000113.7A63 V141A63-P138 HydrophobicContact CB-CG 4.44Å; A63-P138 WeakPolarHBondContact O-CD 3.5Å; P138-V141 HydrophobicContact CB-CG1 4.02Å; P138-V141 HydrophobicContact CG-CG1 3.78Å
139P89.8Confident94Very high72 Ų7240.2 Ų40.247%0.46823%0.229SC..THydrogen-bonded Turncis-73.8-13.68.428.3-37.8000117.7E58 V141E58-P139 HydrophobicContact CG-CG 3.82Å; P139-V141 VanDerWaalsContact C-N 3.32Å; P139-V141 PolarHBondContact O-N 3Å
140D87.4Confident94.1Very high0 Ų040.2 Ų40.20%023%0.228CC..BIsolated β-bridgetrans-7280.9179.4-67-6.8000111.4C30 I32 S56 S57 E58 N137C30-D140 WeakPolarHBondContact CB-OD1 3.46Å; I32-D140 HydrophobicContact CB-CB 4.24Å; S56-D140 WeakPolarHBondContact CA-OD2 3.37Å; S56-D140 WeakPolarHBondContact CB-OD2 3.29Å; S56-D140 PolarHBondContact OG-OD2 3.38Å; S57-D140 PolarHBondContact N-OD2 3.03Å; S57-D140 PolarHBondContact OG-OD2 2.92Å; E58-D140 HydrophobicContact CG-CB 4.48Å; E58-D140 PolarHBondContact N-OD2 2.57Å; N137-D140 CarbonylContact C-O 3.47Å; N137-D140 HydrophobicContact CB-CB 4.44Å; N137-D140 PolarHBondContact N-O 2.86Å; N137-D140 WeakPolarHBondContact O-CA 3.17Å; N137-D140 WeakPolarHBondContact O-CB 3.22Å; N137-D140 PolarHBondContact O-N 2.83Å
141V85.8Confident94.1Very high66 Ų6645.2 Ų45.240%0.425%0.246SC..  trans-114.7-6.6-179.9-57.20000114.3K136 P138 P139K136-V141 HydrophobicContact CB-CG1 4.22Å; K136-V141 HydrophobicContact CG-CB 4.24Å; K136-V141 HydrophobicContact CG-CG1 4.4Å; P138-V141 HydrophobicContact CB-CG1 4.02Å; P138-V141 HydrophobicContact CG-CG1 3.78Å; P139-V141 VanDerWaalsContact C-N 3.32Å; P139-V141 PolarHBondContact O-N 3Å
142S83.3Confident94Very high62 Ų6245.6 Ų45.643%0.43425%0.248SC..EExtended strand (participates in β ladder)trans-96.1102.7-178.1-64.80000109.8A31 I32A31-S142 CarbonylContact C-O 3.5Å; A31-S142 WeakPolarHBondContact CA-O 3.4Å; A31-S142 WeakPolarHBondContact CB-O 3.4Å; I32-S142 PolarHBondContact N-O 3.03Å
143G84.1Confident93.9Very high45 Ų4547.1 Ų47.146%0.46426%0.26SS..EExtended strand (participates in β ladder)trans-154.7162.5-17800000113.6I32I32-G143 WeakPolarHBondContact O-CA 3.4Å
144T90.1Very high93.6Very high122 Ų12254.7 Ų54.775%0.74830%0.295SS*.PPolyproline II helixtrans-85.7128.3171.4-58.90000109G146T144-G146 PolarHBondContact O-N 3.27Å
145Q95.1Very high92.7Very high72 Ų7259.1 Ų59.134%0.33631%0.313SS..PPolyproline II helixtrans-62130.8179.1-156.7176.19.900111.1F132 C133 D134F132-Q145 HydrophobicContact CB-CG 3.89Å; F132-Q145 VanDerWaalsContact CB-NE2 3.27Å; C133-Q145 WeakPolarHBondContact O-CG 3.18Å; D134-Q145 HydrophobicContact CB-CG 3.85Å
146G97.3Very high91.4Very high6 Ų662.8 Ų62.86%0.06234%0.343CS..EExtended strand (participates in β ladder)trans-63.8139.6173.800000110.3F132 C133 T144F132-G146 CarbonylContact C-O 3.55Å; F132-G146 WeakPolarHBondContact CA-O 3.46Å; C133-G146 PolarHBondContact N-O 2.93Å; C133-G146 PolarHBondContact O-N 3.21Å; T144-G146 PolarHBondContact O-N 3.27Å
147R98.2Very high89.7Confident116 Ų11666.9 Ų66.944%0.43836%0.363SS..EExtended strand (participates in β ladder)trans-128.8126.2-173.4-174.4-176.7179.4-95-13111.6T130 F132 E149T130-R147 HydrophobicContact CG2-CG 3.42Å; T130-R147 VanDerWaalsContact CG2-CG 3.42Å; T130-R147 VanDerWaalsContact CG2-NE 3.34Å; T130-R147 PolarHBondContact OG1-NH2 2.86Å; F132-R147 HydrophobicContact CD1-CB 4.23Å; F132-R147 HydrophobicContact CD1-CG 3.98Å; F132-R147 HydrophobicContact CE1-CG 3.93Å; R147-E149 IonicContact CZ-OE1 2.58Å; R147-E149 IonicContact NH1-OE1 2.63Å; R147-E149 PolarHBondContact NH1-OE1 3.11Å; R147-E149 IonicContact NH2-OE1 3.44Å; R147-E149 PolarHBondContact NH2-OE1 3.31Å
148T98.6Very high87.8Confident0 Ų071.9 Ų71.90%040%0.398CS..EExtended strand (participates in β ladder)trans-129.3123.9178.6-59.60000110.9D37 V40 L50 T130 F131D37-T148 WeakPolarHBondContact O-CA 3.48Å; D37-T148 WeakPolarHBondContact O-CB 3.48Å; D37-T148 VanDerWaalsContact O-CG2 3.24Å; D37-T148 WeakPolarHBondContact O-CG2 3.29Å; D37-T148 PolarHBondContact O-OG1 2.83Å; V40-T148 HydrophobicContact CB-CG2 4.17Å; V40-T148 HydrophobicContact CG2-CG2 3.67Å; L50-T148 HydrophobicContact CD2-CG2 3.83Å; T130-T148 WeakPolarHBondContact CA-O 3.31Å; F131-T148 PolarHBondContact N-O 2.87Å; F131-T148 PolarHBondContact O-N 2.86Å
149E98.4Very high86.1Confident60 Ų6074.9 Ų74.928%0.2841%0.41SS..EExtended strand (participates in β ladder)trans-84.2121.4168.4-67.5-173.1-169.100110.4S38 E39 V40 R147 R151S38-E149 PolarHBondContact O-N 3.11Å; E39-E149 CarbonylContact C-O 3.55Å; E39-E149 WeakPolarHBondContact CA-O 3.47Å; V40-E149 PolarHBondContact N-O 2.89Å; R147-E149 IonicContact CZ-OE1 2.58Å; R147-E149 IonicContact NH1-OE1 2.63Å; R147-E149 PolarHBondContact NH1-OE1 3.11Å; R147-E149 IonicContact NH2-OE1 3.44Å; R147-E149 PolarHBondContact NH2-OE1 3.31Å; E149-R151 IonicContact OE2-NH2 2.61Å
150L98.4Very high84.6Confident2 Ų274.5 Ų74.51%0.0141%0.408CS..EExtended strand (participates in β ladder)trans-95.1124.2173.5-175.863.9000109.8V40 V42 A48 L50 L120 D127 N128 G129 F131 V152V40-L150 HydrophobicContact CB-CD1 4.08Å; V40-L150 HydrophobicContact CG1-CD1 3.8Å; V42-L150 HydrophobicContact CG2-CD1 3.9Å; A48-L150 HydrophobicContact CB-CD1 4.17Å; L50-L150 HydrophobicContact CD2-CD1 4.28Å; L120-L150 HydrophobicContact CD2-CD2 3.66Å; D127-L150 HydrophobicContact CB-CD2 4.03Å; N128-L150 PolarHBondContact OD1-O 3.43Å; G129-L150 PolarHBondContact N-O 2.93Å; G129-L150 PolarHBondContact O-N 2.97Å; F131-L150 HydrophobicContact CD2-CB 3.76Å; F131-L150 HydrophobicContact CD2-CD2 4.34Å; F131-L150 HydrophobicContact CE2-CB 3.57Å; F131-L150 HydrophobicContact CE2-CD2 3.48Å; F131-L150 VanDerWaalsContact CE2-CD2 3.48Å; F131-L150 HydrophobicContact CE2-CG 4.16Å; F131-L150 HydrophobicContact CZ-CD2 3.94Å; L150-V152 HydrophobicContact CD2-CG2 4.09Å; L150-V152 HydrophobicContact CG-CG2 4.09Å
151R97.9Very high83.2Confident120 Ų12080.6 Ų80.645%0.45344%0.436SS..EExtended strand (participates in β ladder)trans-112.2112.4168.4-59.1-165.2-160.5-116.9-5.8110.8E39 V40 I41 V42 N128 E149E39-R151 IonicContact OE1-CZ 2.78Å; E39-R151 IonicContact OE1-NE 3.18Å; E39-R151 PolarHBondContact OE1-NE 3.46Å; E39-R151 IonicContact OE1-NH2 3.87Å; E39-R151 PolarHBondContact OE1-NH2 2.58Å; V40-R151 PolarHBondContact O-N 3.45Å; I41-R151 WeakPolarHBondContact CA-O 3.44Å; I41-R151 HydrophobicContact CG1-CB 4.32Å; I41-R151 HydrophobicContact CG2-CB 4.43Å; V42-R151 PolarHBondContact N-O 3.38Å; N128-R151 WeakPolarHBondContact OD1-CA 3.48Å; E149-R151 IonicContact OE2-NH2 2.61Å
152V97.1Very high82.1Confident8 Ų881.6 Ų81.65%0.04844%0.443CS..EExtended strand (participates in β ladder)trans-92.4105.2172.4-173.40000108.5V42 N44 A123 Q124 F125 N128 L150V42-V152 HydrophobicContact CG2-CG2 3.98Å; V42-V152 CarbonylContact O-C 3.46Å; V42-V152 WeakPolarHBondContact O-CA 3.47Å; N44-V152 HydrophobicContact CB-CG1 3.86Å; A123-V152 HydrophobicContact CB-CG2 4.17Å; Q124-V152 WeakPolarHBondContact O-CG2 3.3Å; F125-V152 HydrophobicContact CD1-CB 4.32Å; F125-V152 HydrophobicContact CD1-CG1 4.06Å; F125-V152 VanDerWaalsContact CD1-O 3.32Å; F125-V152 WeakPolarHBondContact CD1-O 3.42Å; F125-V152 HydrophobicContact CE1-CG1 4.31Å; F125-V152 WeakPolarHBondContact CE1-O 3.44Å; N128-V152 PolarHBondContact OD1-N 3.4Å; L150-V152 HydrophobicContact CD2-CG2 4.09Å; L150-V152 HydrophobicContact CG-CG2 4.09Å
153V96Very high81.4Confident62 Ų6282.8 Ų82.838%0.37644%0.444SS..EExtended strand (participates in β ladder)trans-88.1159.9178.1-61.90000111.4I41 V42 Q43 N44 K155I41-V153 HydrophobicContact CG2-CG1 3.78Å; I41-V153 HydrophobicContact CG2-CG2 4.26Å; V42-V153 WeakPolarHBondContact O-CG2 3.26Å; V42-V153 PolarHBondContact O-N 2.92Å; Q43-V153 WeakPolarHBondContact CA-O 3.26Å; Q43-V153 HydrophobicContact CG-CG2 4.18Å; N44-V153 PolarHBondContact N-O 2.97Å; V153-K155 PolarHBondContact O-N 3.12Å
154Q92.7Very high81.2Confident159 Ų15983.7 Ų83.774%0.74344%0.441SS*.  trans-59.5136.4171.5-63.8-176.527.900109.8F125 A156F125-Q154 HydrophobicContact CE1-CG 4.23Å; F125-Q154 HydrophobicContact CZ-CB 4.48Å; F125-Q154 HydrophobicContact CZ-CG 3.91Å; Q154-A156 PolarHBondContact O-N 2.75Å
155K78.1Confident80.9Confident129 Ų12983.6 Ų83.656%0.56143%0.43SS*.  trans-60.6112.7164.8178.6-180-178.8-1760107.1Q43 V153 E157Q43-K155 HydrophobicContact CB-CB 4.44Å; V153-K155 PolarHBondContact O-N 3.12Å; K155-E157 PolarHBondContact O-N 2.99Å
156A69.5Low80.5Confident78 Ų7885.2 Ų85.265%0.64544%0.44SS*.  trans-64.9100.3169.300000107.6Q154 S158Q154-A156 PolarHBondContact O-N 2.75Å; A156-S158 PolarHBondContact O-N 2.9Å
157E60.4Low80Confident165 Ų16589.3 Ų89.377%0.77146%0.463SS*.  trans-60111.7166.7-64.1-157.6133.400107K155 L159K155-E157 PolarHBondContact O-N 2.99Å; E157-L159 PolarHBondContact O-N 3Å
158S53.6Low79.6Confident104 Ų10488.5 Ų88.573%0.72747%0.467SS*.  trans-58.3109.317950.80000107.9A156 P160A156-S158 PolarHBondContact O-N 2.9Å; S158-P160 VanDerWaalsContact O-N 3.16Å
159L56.9Low79.3Confident124 Ų12494.7 Ų94.765%0.64950%0.499SS*.THydrogen-bonded Turntrans-35.5118.1-168.2-174.5163.7000109.7E157 Q161E157-L159 PolarHBondContact O-N 3Å; L159-Q161 PolarHBondContact O-N 2.98Å
160P57Low79.1Confident65 Ų6594.9 Ų94.942%0.42251%0.511SS..THydrogen-bonded Turntrans-44.8109.3-154.88.8-27.2000111.4S158 T162 N163 T164S158-P160 VanDerWaalsContact O-N 3.16Å; P160-T162 CarbonylContact O-C 3.59Å; P160-T162 PolarHBondContact O-N 3.5Å; P160-N163 HydrophobicContact CG-CB 4.39Å; P160-N163 WeakPolarHBondContact O-CA 3.48Å; P160-N163 WeakPolarHBondContact O-CB 3.48Å; P160-N163 PolarHBondContact O-N 3.15Å; P160-T164 PolarHBondContact O-N 3.06Å
161Q58.7Low78.9Confident127 Ų12798.8 Ų98.859%0.59354%0.535SS*.Hα-helixtrans-61.4-22.2-167.3-155.9-164.237.700112.1L159 K165L159-Q161 PolarHBondContact O-N 2.98Å; Q161-K165 WeakPolarHBondContact O-CB 3.47Å; Q161-K165 WeakPolarHBondContact O-CD 3.09Å; Q161-K165 WeakPolarHBondContact O-CG 3.29Å; Q161-K165 PolarHBondContact O-N 3.08Å; Q161-K165 VanDerWaalsContact O-N 3.07Å
162T61.7Low78.8Confident88 Ų8896.1 Ų96.154%0.5453%0.534SS..Hα-helixtrans-55.8-53.1165.744.10000112.3P160 T164 K165 I166P160-T162 CarbonylContact O-C 3.59Å; P160-T162 PolarHBondContact O-N 3.5Å; T162-T164 PolarHBondContact O-N 3.21Å; T162-K165 PolarHBondContact O-N 3.22Å; T162-I166 WeakPolarHBondContact O-CB 3.31Å; T162-I166 WeakPolarHBondContact O-CD1 3.41Å; T162-I166 WeakPolarHBondContact O-CG1 3.19Å; T162-I166 PolarHBondContact O-N 2.81Å
163N70.4Confident78.7Confident87 Ų8797.6 Ų97.647%0.46555%0.55SS.*Hα-helixtrans-62.5-43.7-178.9-68.22.1000111.1P160 K165 I166 V167P160-N163 HydrophobicContact CG-CB 4.39Å; P160-N163 WeakPolarHBondContact O-CA 3.48Å; P160-N163 WeakPolarHBondContact O-CB 3.48Å; P160-N163 PolarHBondContact O-N 3.15Å; N163-K165 PolarHBondContact O-N 3.02Å; N163-I166 PolarHBondContact O-N 2.89Å; N163-V167 WeakPolarHBondContact O-CB 3.29Å; N163-V167 WeakPolarHBondContact O-CG2 3.37Å; N163-V167 PolarHBondContact O-N 3.44Å
164T78.3Confident78.8Confident63 Ų6397.1 Ų97.139%0.38755%0.553SS.*Hα-helixtrans-60-44.8175.4-46.90000111.6P160 T162 I168P160-T164 PolarHBondContact O-N 3.06Å; T162-T164 PolarHBondContact O-N 3.21Å; T164-I168 HydrophobicContact CG2-CD1 4.11Å; T164-I168 WeakPolarHBondContact O-CD1 3.32Å; T164-I168 VanDerWaalsContact O-CG1 3.27Å; T164-I168 WeakPolarHBondContact O-CG1 3.39Å; T164-I168 PolarHBondContact O-N 2.63Å; T164-I168 VanDerWaalsContact O-N 3.09Å
165K83.8Confident79Confident120 Ų12094.1 Ų94.152%0.52254%0.542SS..Hα-helixtrans-64.3-41.2176.4-74.6166.9176.8169.30112.4Q161 T162 N163 L169Q161-K165 WeakPolarHBondContact O-CB 3.47Å; Q161-K165 WeakPolarHBondContact O-CD 3.09Å; Q161-K165 WeakPolarHBondContact O-CG 3.29Å; Q161-K165 PolarHBondContact O-N 3.08Å; Q161-K165 VanDerWaalsContact O-N 3.07Å; T162-K165 PolarHBondContact O-N 3.22Å; N163-K165 PolarHBondContact O-N 3.02Å; K165-L169 WeakPolarHBondContact O-CB 3.42Å; K165-L169 PolarHBondContact O-N 2.86Å
166I87.3Confident79.9Confident107 Ų10793.6 Ų93.655%0.54954%0.544SS..Hα-helixtrans-65.6-44.8178.5-70.4162.5000111T162 N163 L169 A170T162-I166 WeakPolarHBondContact O-CB 3.31Å; T162-I166 WeakPolarHBondContact O-CD1 3.41Å; T162-I166 WeakPolarHBondContact O-CG1 3.19Å; T162-I166 PolarHBondContact O-N 2.81Å; N163-I166 PolarHBondContact O-N 2.89Å; I166-L169 PolarHBondContact O-N 3.13Å; I166-A170 WeakPolarHBondContact O-CB 3.35Å; I166-A170 PolarHBondContact O-N 2.87Å
167V87.7Confident81.2Confident91 Ų9195.4 Ų95.455%0.55254%0.542SS*.Hα-helixtrans-62.8-44.8177.6169.90000111.1N163 A170 V171N163-V167 WeakPolarHBondContact O-CB 3.29Å; N163-V167 WeakPolarHBondContact O-CG2 3.37Å; N163-V167 PolarHBondContact O-N 3.44Å; V167-A170 PolarHBondContact O-N 2.93Å; V167-V171 WeakPolarHBondContact O-CG2 3.47Å; V167-V171 PolarHBondContact O-N 2.81Å
168I89.7Confident83Confident100 Ų10093.2 Ų93.251%0.51354%0.535SS..Hα-helixtrans-59.9-48.1175.4-68.7165.5000110.6T164 A170 V171 C172T164-I168 HydrophobicContact CG2-CD1 4.11Å; T164-I168 WeakPolarHBondContact O-CD1 3.32Å; T164-I168 VanDerWaalsContact O-CG1 3.27Å; T164-I168 WeakPolarHBondContact O-CG1 3.39Å; T164-I168 PolarHBondContact O-N 2.63Å; T164-I168 VanDerWaalsContact O-N 3.09Å; I168-A170 VanDerWaalsContact C-N 3.34Å; I168-A170 PolarHBondContact O-N 2.94Å; I168-V171 PolarHBondContact O-N 2.92Å; I168-C172 WeakPolarHBondContact O-CB 3.25Å; I168-C172 PolarHBondContact O-N 2.93Å; I168-C172 PolarHBondContact O-SG 3.44Å; I168-C172 VanDerWaalsContact O-SG 3.37Å
169L91.4Very high85Confident130 Ų13093.2 Ų93.268%0.68153%0.526SS*.Hα-helixtrans-60.9-41.8179.8-175.165.4000112.2K165 I166 G173K165-L169 WeakPolarHBondContact O-CB 3.42Å; K165-L169 PolarHBondContact O-N 2.86Å; I166-L169 PolarHBondContact O-N 3.13Å; L169-G173 PolarHBondContact O-N 2.63Å
170A94.1Very high86.9Confident64 Ų6489.8 Ų89.853%0.52952%0.515SS..Hα-helixtrans-64.8-45.2178.100000112.4I166 V167 I168 G173 A174I166-A170 WeakPolarHBondContact O-CB 3.35Å; I166-A170 PolarHBondContact O-N 2.87Å; V167-A170 PolarHBondContact O-N 2.93Å; I168-A170 VanDerWaalsContact C-N 3.34Å; I168-A170 PolarHBondContact O-N 2.94Å; A170-G173 PolarHBondContact O-N 2.96Å; A170-A174 WeakPolarHBondContact O-CB 3.49Å; A170-A174 PolarHBondContact O-N 3.33Å
171V95.8Very high88.9Confident84 Ų8490.9 Ų90.951%0.50952%0.52SS..Hα-helixtrans-65.6-45.7178.6172.50000111.1V167 I168 A174 L175V167-V171 WeakPolarHBondContact O-CG2 3.47Å; V167-V171 PolarHBondContact O-N 2.81Å; I168-V171 PolarHBondContact O-N 2.92Å; V171-A174 PolarHBondContact O-N 3.23Å; V171-L175 HydrophobicContact CG1-CD1 4.1Å; V171-L175 WeakPolarHBondContact O-CG 3.22Å; V171-L175 PolarHBondContact O-N 2.96Å; V171-L175 VanDerWaalsContact O-N 3.08Å
172C95.4Very high90.7Very high63 Ų6387.3 Ų87.343%0.42651%0.513SS..Hα-helixtrans-63-43176-69.10000112I168 L175 I176I168-C172 WeakPolarHBondContact O-CB 3.25Å; I168-C172 PolarHBondContact O-N 2.93Å; I168-C172 PolarHBondContact O-SG 3.44Å; I168-C172 VanDerWaalsContact O-SG 3.37Å; C172-L175 PolarHBondContact O-N 2.84Å; C172-I176 WeakPolarHBondContact O-CD1 3.33Å; C172-I176 VanDerWaalsContact O-CG1 3.27Å; C172-I176 WeakPolarHBondContact O-CG1 3.22Å; C172-I176 PolarHBondContact O-N 2.84Å
173G95.4Very high92.3Very high39 Ų3988.4 Ų88.440%0.40251%0.514SS..Hα-helixtrans-61.7-43.5177.200000113L169 A170 I176 L177L169-G173 PolarHBondContact O-N 2.63Å; A170-G173 PolarHBondContact O-N 2.96Å; G173-I176 PolarHBondContact O-N 2.99Å; G173-L177 WeakPolarHBondContact O-CB 3.5Å; G173-L177 PolarHBondContact O-N 3.15Å
174A96.8Very high93.6Very high52 Ų5287.1 Ų87.143%0.4352%0.516SS..Hα-helixtrans-63.2-42.9176.400000112.4A170 V171 L177 L178A170-A174 WeakPolarHBondContact O-CB 3.49Å; A170-A174 PolarHBondContact O-N 3.33Å; V171-A174 PolarHBondContact O-N 3.23Å; A174-L177 PolarHBondContact O-N 2.81Å; A174-L178 WeakPolarHBondContact O-CG 3.47Å; A174-L178 PolarHBondContact O-N 3.01Å
175L97.3Very high94.4Very high97 Ų9786.7 Ų86.751%0.50852%0.519SS..Hα-helixtrans-62.7-45.5176.2-75.3166.4000112.1V171 C172 L177 L178 I179V171-L175 HydrophobicContact CG1-CD1 4.1Å; V171-L175 WeakPolarHBondContact O-CG 3.22Å; V171-L175 PolarHBondContact O-N 2.96Å; V171-L175 VanDerWaalsContact O-N 3.08Å; C172-L175 PolarHBondContact O-N 2.84Å; L175-L177 VanDerWaalsContact C-N 3.33Å; L175-L177 PolarHBondContact O-N 3.16Å; L175-L178 PolarHBondContact O-N 3.5Å; L175-I179 WeakPolarHBondContact O-CD1 3.25Å; L175-I179 VanDerWaalsContact O-CG1 3.29Å; L175-I179 WeakPolarHBondContact O-CG1 3.32Å; L175-I179 PolarHBondContact O-N 2.68Å
176I97.1Very high94.9Very high118 Ų11884.8 Ų84.861%0.60552%0.519SS*.Hα-helixtrans-62-42.1177.4-68.4164.1000110.8C172 G173 I179 A180C172-I176 WeakPolarHBondContact O-CD1 3.33Å; C172-I176 VanDerWaalsContact O-CG1 3.27Å; C172-I176 WeakPolarHBondContact O-CG1 3.22Å; C172-I176 PolarHBondContact O-N 2.84Å; G173-I176 PolarHBondContact O-N 2.99Å; I176-I179 PolarHBondContact O-N 2.98Å; I176-A180 WeakPolarHBondContact O-CB 3.44Å; I176-A180 PolarHBondContact O-N 2.89Å
177L96.8Very high95.3Very high115 Ų11586.7 Ų86.760%0.60252%0.524SS*.Hα-helixtrans-63.3-44.7177.5-177.762.5000112.1G173 A174 L175 I179 A180 V181G173-L177 WeakPolarHBondContact O-CB 3.5Å; G173-L177 PolarHBondContact O-N 3.15Å; A174-L177 PolarHBondContact O-N 2.81Å; L175-L177 VanDerWaalsContact C-N 3.33Å; L175-L177 PolarHBondContact O-N 3.16Å; L177-I179 PolarHBondContact O-N 2.93Å; L177-A180 PolarHBondContact O-N 3Å; L177-V181 HydrophobicContact CD1-CG2 4.42Å; L177-V181 WeakPolarHBondContact O-CG2 3.26Å; L177-V181 PolarHBondContact O-N 2.99Å
178L97.2Very high95.5Very high120 Ų12084.5 Ų84.563%0.62852%0.516SS*.Hα-helixtrans-61.8-42176.6-72.5171.3000112A174 L175 V181 A182A174-L178 WeakPolarHBondContact O-CG 3.47Å; A174-L178 PolarHBondContact O-N 3.01Å; L175-L178 PolarHBondContact O-N 3.5Å; L178-V181 PolarHBondContact O-N 3.07Å; L178-A182 WeakPolarHBondContact O-CB 3.46Å; L178-A182 PolarHBondContact O-N 3.22Å
179I97.4Very high95.6Very high104 Ų10483.5 Ų83.553%0.53351%0.514SS..Hα-helixtrans-64.1-44.4176.2-68.3164.5000110.7L175 I176 L177 A182 I183L175-I179 WeakPolarHBondContact O-CD1 3.25Å; L175-I179 VanDerWaalsContact O-CG1 3.29Å; L175-I179 WeakPolarHBondContact O-CG1 3.32Å; L175-I179 PolarHBondContact O-N 2.68Å; I176-I179 PolarHBondContact O-N 2.98Å; L177-I179 PolarHBondContact O-N 2.93Å; I179-A182 PolarHBondContact O-N 2.66Å; I179-I183 HydrophobicContact CG2-CD1 3.76Å; I179-I183 HydrophobicContact CG2-CG1 4.47Å; I179-I183 VanDerWaalsContact O-CG1 3.3Å; I179-I183 WeakPolarHBondContact O-CG1 3.3Å; I179-I183 PolarHBondContact O-N 3.19Å
180A96.8Very high95.4Very high51 Ų5186 Ų8642%0.42151%0.514SS..Hα-helixtrans-62.2-43177.400000112.5I176 L177 I183 A184I176-A180 WeakPolarHBondContact O-CB 3.44Å; I176-A180 PolarHBondContact O-N 2.89Å; L177-A180 PolarHBondContact O-N 3Å; A180-I183 PolarHBondContact O-N 2.96Å; A180-A184 WeakPolarHBondContact O-CB 3.12Å; A180-A184 PolarHBondContact O-N 3.29Å
181V97.3Very high95.1Very high88 Ų8885.8 Ų85.853%0.53351%0.506SS..Hα-helixtrans-63.7-42.5175.3170.30000111.3L177 L178 A184 A185L177-V181 HydrophobicContact CD1-CG2 4.42Å; L177-V181 WeakPolarHBondContact O-CG2 3.26Å; L177-V181 PolarHBondContact O-N 2.99Å; L178-V181 PolarHBondContact O-N 3.07Å; V181-A184 PolarHBondContact O-N 3.38Å; V181-A185 WeakPolarHBondContact O-CB 3.19Å; V181-A185 PolarHBondContact O-N 3.13Å
182A96.8Very high94.6Very high53 Ų5386.3 Ų86.344%0.43851%0.505SS..Hα-helixtrans-62.7-44176.300000112.2L178 I179 A185 C186L178-A182 WeakPolarHBondContact O-CB 3.46Å; L178-A182 PolarHBondContact O-N 3.22Å; I179-A182 PolarHBondContact O-N 2.66Å; A182-A185 PolarHBondContact O-N 3.06Å; A182-C186 WeakPolarHBondContact O-CB 3.39Å; A182-C186 PolarHBondContact O-N 3.47Å; A182-C186 PolarHBondContact O-SG 3.13Å; A182-C186 VanDerWaalsContact O-SG 3.35Å
183I96.8Very high93.9Very high111 Ų11188.6 Ų88.657%0.56951%0.509SS*.Hα-helixtrans-62.4-45.1176-68.9166.6000110.9I179 A180 A185 C186 F187I179-I183 HydrophobicContact CG2-CD1 3.76Å; I179-I183 HydrophobicContact CG2-CG1 4.47Å; I179-I183 VanDerWaalsContact O-CG1 3.3Å; I179-I183 WeakPolarHBondContact O-CG1 3.3Å; I179-I183 PolarHBondContact O-N 3.19Å; A180-I183 PolarHBondContact O-N 2.96Å; I183-A185 PolarHBondContact O-N 3.21Å; I183-C186 PolarHBondContact O-N 3.05Å; I183-F187 WeakPolarHBondContact O-CB 3.31Å; I183-F187 PolarHBondContact O-N 3.12Å
184A95.9Very high92.9Very high60 Ų6092.3 Ų92.350%0.49652%0.52SS..Hα-helixtrans-62.4-42.217800000112.2A180 V181 F187 A188A180-A184 WeakPolarHBondContact O-CB 3.12Å; A180-A184 PolarHBondContact O-N 3.29Å; V181-A184 PolarHBondContact O-N 3.38Å; A184-F187 PolarHBondContact O-N 3.27Å; A184-A188 WeakPolarHBondContact O-CB 3.47Å; A184-A188 PolarHBondContact O-N 3.27Å
185A95.8Very high91.8Very high54 Ų5498.4 Ų98.445%0.44653%0.532SS..Hα-helixtrans-64.3-45.6175.100000111.9V181 A182 I183 F187 A188 V189V181-A185 WeakPolarHBondContact O-CB 3.19Å; V181-A185 PolarHBondContact O-N 3.13Å; A182-A185 PolarHBondContact O-N 3.06Å; I183-A185 PolarHBondContact O-N 3.21Å; A185-F187 VanDerWaalsContact C-N 3.32Å; A185-F187 PolarHBondContact O-N 3.46Å; A185-A188 PolarHBondContact O-N 2.64Å; A185-V189 WeakPolarHBondContact O-CG2 3.36Å; A185-V189 PolarHBondContact O-N 3.32Å
186C94.2Very high90.1Very high79 Ų7999.1 Ų99.153%0.53453%0.533SS..Hα-helixtrans-61.5-38.1175.2-73.70000112.7A182 I183 R190A182-C186 WeakPolarHBondContact O-CB 3.39Å; A182-C186 PolarHBondContact O-N 3.47Å; A182-C186 PolarHBondContact O-SG 3.13Å; A182-C186 VanDerWaalsContact O-SG 3.35Å; I183-C186 PolarHBondContact O-N 3.05Å; C186-R190 WeakPolarHBondContact O-CB 3.31Å; C186-R190 WeakPolarHBondContact O-CG 3.48Å; C186-R190 PolarHBondContact O-N 3.04Å
187F94.9Very high88.1Confident147 Ų14799.8 Ų99.865%0.64554%0.537SS*.Hα-helixtrans-66.8-46.8175.1-174.1-99000111.5I183 A184 A185 V189 R190 V191I183-F187 WeakPolarHBondContact O-CB 3.31Å; I183-F187 PolarHBondContact O-N 3.12Å; A184-F187 PolarHBondContact O-N 3.27Å; A185-F187 VanDerWaalsContact C-N 3.32Å; A185-F187 PolarHBondContact O-N 3.46Å; F187-V189 PolarHBondContact O-N 3.32Å; F187-R190 PolarHBondContact O-N 2.89Å; F187-V191 HydrophobicContact CD1-CG2 4.1Å; F187-V191 HydrophobicContact CE1-CG2 3.73Å; F187-V191 HydrophobicContact CE2-CG2 4.35Å; F187-V191 HydrophobicContact CZ-CG2 3.87Å; F187-V191 WeakPolarHBondContact O-CG2 3.28Å; F187-V191 PolarHBondContact O-N 2.99Å
188A92.4Very high85.9Confident46 Ų46104.3 Ų104.338%0.3855%0.548SS..Hα-helixtrans-59-46.6176.700000112.2A184 A185 R190 V191 I192A184-A188 WeakPolarHBondContact O-CB 3.47Å; A184-A188 PolarHBondContact O-N 3.27Å; A185-A188 PolarHBondContact O-N 2.64Å; A188-R190 PolarHBondContact O-N 3.4Å; A188-V191 PolarHBondContact O-N 3.34Å; A188-I192 VanDerWaalsContact O-CG1 3.27Å; A188-I192 WeakPolarHBondContact O-CG1 3.35Å; A188-I192 PolarHBondContact O-N 2.94Å
189V91.3Very high83.9Confident78 Ų78104.8 Ų104.847%0.47355%0.547SS..Hα-helixtrans-60.5-44.7176.4170.70000111.4A185 F187 V191 I192 Q193A185-V189 WeakPolarHBondContact O-CG2 3.36Å; A185-V189 PolarHBondContact O-N 3.32Å; F187-V189 PolarHBondContact O-N 3.32Å; V189-V191 PolarHBondContact O-N 2.96Å; V189-I192 PolarHBondContact O-N 3.41Å; V189-Q193 HydrophobicContact CG1-CG 4.39Å; V189-Q193 WeakPolarHBondContact O-CG 3.49Å; V189-Q193 PolarHBondContact O-N 2.96Å
190R89.1Confident81.6Confident183 Ų183103.3 Ų103.369%0.69156%0.557SS**Hα-helixtrans-62.4-41.2176.2-77.1-179.1176.7-148.7-0.7112.7C186 F187 A188 I192 Q193 N194C186-R190 WeakPolarHBondContact O-CB 3.31Å; C186-R190 WeakPolarHBondContact O-CG 3.48Å; C186-R190 PolarHBondContact O-N 3.04Å; F187-R190 PolarHBondContact O-N 2.89Å; A188-R190 PolarHBondContact O-N 3.4Å; R190-I192 VanDerWaalsContact C-N 3.32Å; R190-I192 PolarHBondContact O-N 2.94Å; R190-Q193 PolarHBondContact O-N 3.43Å; R190-N194 VanDerWaalsContact O-CB 3.22Å; R190-N194 WeakPolarHBondContact O-CB 3.48Å; R190-N194 PolarHBondContact O-N 3.42Å
191V86.5Confident79.3Confident59 Ų59106.6 Ų106.636%0.35858%0.576SS.*Hα-helixtrans-66-34.2176.81700000111.8F187 A188 V189 R195F187-V191 HydrophobicContact CD1-CG2 4.1Å; F187-V191 HydrophobicContact CE1-CG2 3.73Å; F187-V191 HydrophobicContact CE2-CG2 4.35Å; F187-V191 HydrophobicContact CZ-CG2 3.87Å; F187-V191 WeakPolarHBondContact O-CG2 3.28Å; F187-V191 PolarHBondContact O-N 2.99Å; A188-V191 PolarHBondContact O-N 3.34Å; V189-V191 PolarHBondContact O-N 2.96Å; V191-R195 WeakPolarHBondContact O-CG 3.47Å; V191-R195 PolarHBondContact O-N 3.38Å
192I84.7Confident76.9Confident95 Ų95108.7 Ų108.749%0.48759%0.589SS.*Hα-helixtrans-71.5-47175.6-68.4164.7000110.8A188 V189 R190 N194 R195 H196A188-I192 VanDerWaalsContact O-CG1 3.27Å; A188-I192 WeakPolarHBondContact O-CG1 3.35Å; A188-I192 PolarHBondContact O-N 2.94Å; V189-I192 PolarHBondContact O-N 3.41Å; R190-I192 VanDerWaalsContact C-N 3.32Å; R190-I192 PolarHBondContact O-N 2.94Å; I192-N194 PolarHBondContact O-N 2.99Å; I192-R195 WeakPolarHBondContact O-CB 3.5Å; I192-R195 PolarHBondContact O-N 3.45Å; I192-H196 WeakPolarHBondContact CG2-NE2 3.31Å; I192-H196 PolarHBondContact O-CD2 3.36Å; I192-H196 PolarHBondContact O-N 2.98Å; I192-H196 VanDerWaalsContact O-N 3.13Å
193Q81.3Confident74.1Confident111 Ų111111.7 Ų111.752%0.51961%0.607SS.*Hα-helixtrans-56.3-51175.2-73.3174.2-38.600111.5V189 R190 R195 H196 D197V189-Q193 HydrophobicContact CG1-CG 4.39Å; V189-Q193 WeakPolarHBondContact O-CG 3.49Å; V189-Q193 PolarHBondContact O-N 2.96Å; R190-Q193 PolarHBondContact O-N 3.43Å; Q193-R195 PolarHBondContact O-N 3.34Å; Q193-H196 PolarHBondContact O-N 3.48Å; Q193-D197 PolarHBondContact O-N 3.44Å
194N75.1Confident71.9Confident117 Ų117114.4 Ų114.463%0.62662%0.622SS**Hα-helixtrans-67.5-1.6178.6-156.2117.2000113.5R190 I192R190-N194 VanDerWaalsContact O-CB 3.22Å; R190-N194 WeakPolarHBondContact O-CB 3.48Å; R190-N194 PolarHBondContact O-N 3.42Å; I192-N194 PolarHBondContact O-N 2.99Å
195R72.6Confident69.1Low181 Ų181120.4 Ų120.468%0.68364%0.639SS**Hα-helixtrans-97.1-39.5165.6-78-178.1178.3-146.6-0.2112.3V191 I192 Q193 D197 Y198 E199V191-R195 WeakPolarHBondContact O-CG 3.47Å; V191-R195 PolarHBondContact O-N 3.38Å; I192-R195 WeakPolarHBondContact O-CB 3.5Å; I192-R195 PolarHBondContact O-N 3.45Å; Q193-R195 PolarHBondContact O-N 3.34Å; R195-D197 VanDerWaalsContact C-N 3.29Å; R195-D197 PolarHBondContact O-N 3.06Å; R195-Y198 WeakPolarHBondContact O-CA 3.44Å; R195-Y198 WeakPolarHBondContact O-CB 3.4Å; R195-Y198 PolarHBondContact O-N 3.24Å; R195-E199 PolarHBondContact O-N 3.47Å
196H61.6Low66.2Low112 Ų112121.6 Ų121.652%0.51966%0.657SS.*Hα-helixtrans-66-31.4175.8-65.5-46.7000112.8I192 Q193 Y198 E199I192-H196 WeakPolarHBondContact CG2-NE2 3.31Å; I192-H196 PolarHBondContact O-CD2 3.36Å; I192-H196 PolarHBondContact O-N 2.98Å; I192-H196 VanDerWaalsContact O-N 3.13Å; Q193-H196 PolarHBondContact O-N 3.48Å; H196-Y198 PolarHBondContact O-N 3.37Å; H196-Y198 VanDerWaalsContact O-N 3.08Å; H196-E199 IonicContact CE1-OE2 2.78Å; H196-E199 IonicContact CG-OE2 3.7Å; H196-E199 IonicContact ND1-OE2 3.21Å; H196-E199 PolarHBondContact ND1-OE2 3.09Å; H196-E199 PolarHBondContact O-N 3.45Å
197D55.9Low63.5Low132 Ų132122.6 Ų122.671%0.70667%0.671SS**THydrogen-bonded Turntrans-59.5-17169-65-42.2000113.1Q193 R195Q193-D197 PolarHBondContact O-N 3.44Å; R195-D197 VanDerWaalsContact C-N 3.29Å; R195-D197 PolarHBondContact O-N 3.06Å
198Y50.9Low60.6Low209 Ų209121.5 Ų121.582%0.8268%0.681SS**THydrogen-bonded Turntrans-96.3-13177.1-132.8-84.3000113.6R195 H196R195-Y198 WeakPolarHBondContact O-CA 3.44Å; R195-Y198 WeakPolarHBondContact O-CB 3.4Å; R195-Y198 PolarHBondContact O-N 3.24Å; H196-Y198 PolarHBondContact O-N 3.37Å; H196-Y198 VanDerWaalsContact O-N 3.08Å
199E54.7Low57.8Low130 Ų130123.6 Ų123.661%0.60769%0.694SS**THydrogen-bonded Turntrans-93.6-10.3179.9-67.6179.313100112.7R195 H196 C201R195-E199 PolarHBondContact O-N 3.47Å; H196-E199 IonicContact CE1-OE2 2.78Å; H196-E199 IonicContact CG-OE2 3.7Å; H196-E199 IonicContact ND1-OE2 3.21Å; H196-E199 PolarHBondContact ND1-OE2 3.09Å; H196-E199 PolarHBondContact O-N 3.45Å; E199-C201 PolarHBondContact O-N 2.95Å
200G49.8Very low54.9Low73 Ų73127.8 Ų127.875%0.75371%0.708SS**THydrogen-bonded Turntrans-7021.7-176.200000117
201C48Very low52.3Low121 Ų121122.9 Ų122.982%0.81871%0.707SS**THydrogen-bonded Turntrans-144.842.4-174.3-146.70000115.6E199E199-C201 PolarHBondContact O-N 2.95Å
202T45.9Very low50.3Low131 Ų131125.8 Ų125.880%0.80473%0.727SS**SBendtrans-137.6139.3164.1490000112.7
203S39.7Very low47.7Very low116 Ų116132.4 Ų132.481%0.81175%0.746SS**  trans7081.2172.2-141.80000117.6
204L48.5Very low45.9Very low168 Ų168132.5 Ų132.588%0.8876%0.756SS**  trans-71175.5133.8-83.8168.9000109.9
205E39Very low43.8Very low186 Ų186132.8 Ų132.887%0.86976%0.757SS**  trans82.9129.8174.9-139.280.6128.900117.2
206G34.9Very low41.9Very low79 Ų79133 Ų13381%0.81476%0.762SS**  trans131.688176.500000114.3
207A37.7Very low40.2Very low100 Ų100136.6 Ų136.683%0.82678%0.777SS**  trans-99.5-177.2179.900000113.3
208S32.3Very low39.1Very low124 Ų124134 Ų13487%0.86777%0.774SS**  trans82.7137.5170.3-160.80000116.3
209S34.3Very low38Very low91 Ų91132.5 Ų132.564%0.63677%0.774SS**  cis-162.2-178.7-24.5-164.40000109.3
210E30.2Very low36.8Very low165 Ų165131.5 Ų131.577%0.77178%0.781SS**  trans75.5125.5154.1-119.156.1-142.800120.7
211A35.3Very low35.8Very low81 Ų81133 Ų13367%0.66978%0.78SS**  trans-130.4153.9157.500000107.8
212P43Very low35.1Very low120 Ų120136.9 Ų136.978%0.77978%0.778SS**  -147130.3112.932-14.6000116.5
213R30.7Very low34.4Very low233 Ų233138.1 Ų138.188%0.87977%0.774SS**  16.7160.9121.5-59.3-175.6-174.9-164.62.9120.2
214P44.3Very low33.9Very low113 Ų113136.4 Ų136.473%0.73478%0.775SS**  cis-126.5-129.6-10.422.16.4000110.8
215L31.1Very low33.1Very low124 Ų124135 Ų13565%0.64977%0.774SS**  cis-166.1116.5-0.9-168.363.7000114.8
216K31.4Very low32.7Very low184 Ų184136.6 Ų136.680%0.877%0.772SS**  trans63.5163.2153.2-71.6174.1-172.7168.20118
217K27.1Very low32.4Very low189 Ų189138 Ų13882%0.82277%0.769SS**  cis-168.9155.6-19.1161.1176.1176.4-173.80110.3
218A31.4Very low32.1Very low77 Ų77140.2 Ų140.264%0.63677%0.773SS**  trans78.1112.6157.700000120.9
219E28.8Very low32Very low177 Ų177139.5 Ų139.583%0.82777%0.767SS**  34.3120.999.4-133.482.1156.800119.6
220S29.6Very low32.7Very low109 Ų109140.9 Ų140.976%0.76277%0.774SS**  164.1113.3115175.30000113.9
221S28.8Very low32.8Very low104 Ų104139 Ų13973%0.72778%0.779SS**  trans33.7127.4136.7-152.20000121.8
222R33Very low32.6Very low204 Ų204138.5 Ų138.577%0.7778%0.782SS**  136.3134.7112.6-154.7165.7179.3126.420.8116.8
223E30.4Very low33Very low156 Ų156138.2 Ų138.273%0.72978%0.78SS**  trans5.6133.9160.6-58.4168127.300121.4
224G31Very low33Very low80 Ų80133.9 Ų133.983%0.82577%0.774SS**  trans-167.9123164.400000113.1
225T29.9Very low32.7Very low139 Ų139136 Ų13685%0.85377%0.774SS**  trans-120.9150.3-170.9-50.50000112.3
226R31.3Very low32.9Very low219 Ų219136.5 Ų136.583%0.82678%0.782SS**  trans93.2105.9156.5-167.2172.4-75.3155.1-3.8119.2
227S29.5Very low32.9Very low108 Ų108131.4 Ų131.476%0.75578%0.781SS**  trans31.5129132.2-42.40000122.7
228T29.8Very low33.6Very low148 Ų148127.1 Ų127.191%0.90878%0.782SS**  trans-138154.5144.8-39.40000109.7
229S31.3Very low34.4Very low108 Ų108129.9 Ų129.976%0.75579%0.793SS**  trans-105.4-143.3-173.5-58.90000112.9
230P49.3Very low34.7Very low121 Ų121125.2 Ų125.279%0.78679%0.793SS**  -127.3-178.7-104.140.6-23.8000115
231S31.8Very low34.9Very low124 Ų124130.1 Ų130.187%0.86779%0.794SS**  trans-138.6135164.1-71.30000112.2
232G31Very low35.2Very low71 Ų71134.6 Ų134.673%0.73280%0.795SS**  trans-92.8-145.1162.500000111
233P51.1Low35.3Very low115 Ų115132.3 Ų132.375%0.74780%0.798SS**  cis-142.5-154.813.933.4-7.8000114.8
234L31.8Very low36.3Very low142 Ų142130.3 Ų130.374%0.74380%0.799SS**  trans83.2143.1164.3-45.4178.6000116.6
235Q37.2Very low37.1Very low156 Ų156132.6 Ų132.673%0.72980%0.799SS**  cis-158.4149.2-6.1-124.3-17679.300114.1
236V34.2Very low37.2Very low136 Ų136129.6 Ų129.682%0.82480%0.795SS**  trans43.4130142.5171.90000122.6
237G33Very low37.3Very low76 Ų76124.1 Ų124.178%0.78480%0.797SS**  trans170139158.900000113.1
238A40.2Very low37.6Very low100 Ų100125.9 Ų125.983%0.82680%0.804SS**  trans-136.8-169.2-172.400000113.3
239P49.9Very low37.8Very low134 Ų134126.2 Ų126.287%0.8780%0.799SS**  -123163.4-97.837.2-21.2000116.2
240G33.6Very low38Very low80 Ų80126.4 Ų126.483%0.82580%0.8SS**  trans-151110.6-176.800000118
241R34.3Very low37.5Very low211 Ų211130.1 Ų130.180%0.79680%0.804SS**  trans-15.3142.3169.2-79.5-177.8171.2-161.6-3.3123.5
242R35.3Very low38.3Very low199 Ų199127.1 Ų127.175%0.75179%0.793SS**  trans83.594.7136.6-75.8-172.5-65.8-164.31.5122.3
243N35.4Very low39Very low156 Ų156129.8 Ų129.883%0.83480%0.797SS**  74.1153.8124.8-72.728.2000123
244P52Low38.9Very low113 Ų113129.5 Ų129.573%0.73479%0.793SS**  trans-104.5-168.5-165.746.7-37.2000111.6
245P47.2Very low39.8Very low129 Ų129129.9 Ų129.984%0.83879%0.794SS**  cis-141.8178.11544.1-24.5000118.8
246G32.9Very low39.9Very low75 Ų75132.2 Ų132.277%0.77380%0.798SS**  trans174.684169.600000112
247A33.4Very low40.7Very low105 Ų105131.5 Ų131.587%0.86879%0.793SS**  trans-98.5112.1-176.700000111.9L249A247-L249 PolarHBondContact O-N 3.1Å
248T34.2Very low41Very low144 Ų144135.7 Ų135.788%0.88379%0.793SS**  trans-82.6114.6178.7-40.70000110.8S250T248-S250 PolarHBondContact O-N 3.13Å
249L33.9Very low41.2Very low156 Ų156137.2 Ų137.282%0.81779%0.786SS**  trans-75.5111179.7-178.565.6000111.4A247 K251A247-L249 PolarHBondContact O-N 3.1Å; L249-K251 PolarHBondContact O-N 2.98Å
250S35.6Very low40.6Very low111 Ų111138 Ų13878%0.77678%0.783SS**PPolyproline II helixtrans-73120.5171.444.70000111.1T248T248-S250 PolarHBondContact O-N 3.13Å
251K39.5Very low41.2Very low200 Ų200142.1 Ų142.187%0.8778%0.781SS**PPolyproline II helixtrans-80.7127.7168.6-73.6-176.4175-179.30109.7L249L249-K251 PolarHBondContact O-N 2.98Å
252G48.3Very low41.7Very low61 Ų61138 Ų13863%0.62978%0.784SS**PPolyproline II helixtrans-72.4168.7171.400000112.9
253P45.5Very low42Very low127 Ų127132 Ų13283%0.82579%0.785SS**PPolyproline II helixtrans-69.3143.9-179.229.4-35.1000112.3
254V49.9Very low42Very low109 Ų109130.7 Ų130.766%0.66179%0.787SS**PPolyproline II helixtrans-89.2126.7172.8178.30000109Y256V254-Y256 HydrophobicContact CB-CE2 4.43Å; V254-Y256 HydrophobicContact CG1-CD2 4.21Å; V254-Y256 HydrophobicContact CG1-CE2 3.79Å
255I49.6Very low41.6Very low149 Ų149134 Ų13476%0.76479%0.79SS**PPolyproline II helixtrans-99.2124.3171.7-58176.2000107.9
256Y41Very low41.4Very low205 Ų205135.3 Ų135.380%0.80479%0.79SS**PPolyproline II helixtrans-92.1136.7169.9-69.4-89.4000109.7V254V254-Y256 HydrophobicContact CB-CE2 4.43Å; V254-Y256 HydrophobicContact CG1-CD2 4.21Å; V254-Y256 HydrophobicContact CG1-CE2 3.79Å
257V49.2Very low41.8Very low121 Ų121136 Ų13673%0.73378%0.783SS**  trans-107.8121.1173.6179.60000108.2
258Q40.3Very low42.5Very low165 Ų165141.3 Ų141.377%0.77179%0.787SS**  trans-75.7130.8171.6-165.778.7-13.800108.9
259L43.9Very low42.9Very low132 Ų132141.7 Ų141.769%0.69178%0.778SS**  trans-112.4105.7173.5-82.6166.6000109.5H261L259-H261 PolarHBondContact O-CD2 3.41Å; L259-H261 PolarHBondContact O-N 3.06Å; L259-H261 VanDerWaalsContact O-N 3.09Å
260D38Very low43.1Very low150 Ų150142 Ų14280%0.80277%0.773SS**  trans-75.295.9179.2-70.8-37.5000111.2S262D260-S262 PolarHBondContact O-N 3.46Å
261H46Very low43.5Very low167 Ų167145.6 Ų145.677%0.77378%0.78SS**  trans-80.183.6172.7-74.9-76000111.4L259 G263L259-H261 PolarHBondContact O-CD2 3.41Å; L259-H261 PolarHBondContact O-N 3.06Å; L259-H261 VanDerWaalsContact O-N 3.09Å; H261-G263 PolarHBondContact O-N 3.12Å
262S44.1Very low44.1Very low124 Ų124142.4 Ų142.487%0.86777%0.768SS**  trans-59127.8165.1-170.40000110.2D260D260-S262 PolarHBondContact O-N 3.46Å
263G42.4Very low44.1Very low74 Ų74145.3 Ų145.376%0.76378%0.775SS**  trans-82.6148.9-164.500000115.4H261H261-G263 PolarHBondContact O-N 3.12Å
264S34.5Very low44.2Very low127 Ų127144.5 Ų144.589%0.88877%0.768SS**  trans-144.6171.6159.7-163.80000110.9
265K43.3Very low44.4Very low184 Ų184145.8 Ų145.880%0.878%0.776SS**  trans-95.7151.9-153.6-61.3173.6-178.7174.80114.6
266N44.1Very low44.4Very low156 Ų156148.8 Ų148.883%0.83478%0.779SS**  trans57.194151.3-61.34.9000119
267S41.9Very low44.7Very low88 Ų88142.9 Ų142.962%0.61577%0.773SS**  -151.7139.2129.659.50000112H269S267-H269 WeakPolarHBondContact CB-NE2 3.39Å; S267-H269 PolarHBondContact OG-CD2 3.08Å; S267-H269 PolarHBondContact OG-NE2 3.46Å
268F48.1Very low44.9Very low217 Ų217143 Ų14395%0.95277%0.769SS**  trans-82.8112.8168.1-88.7-99.8000108.4
269H41.8Very low45.4Very low152 Ų152142.2 Ų142.270%0.70477%0.769SS**  trans-113.4109.6167.9-71.6-71.4000110.8S267 M271S267-H269 WeakPolarHBondContact CB-NE2 3.39Å; S267-H269 PolarHBondContact OG-CD2 3.08Å; S267-H269 PolarHBondContact OG-NE2 3.46Å; H269-M271 PolarHBondContact O-N 3.4Å
270K38.8Very low45.9Very low163 Ų163145.8 Ų145.871%0.70977%0.773SS**  trans-52.6115.2167.8-178.5-162.8-178-1550109.1E272K270-E272 VanDerWaalsContact CE-OE2 3.31Å; K270-E272 WeakPolarHBondContact CE-OE2 3.5Å; K270-E272 IonicContact NZ-OE1 3.72Å; K270-E272 PolarHBondContact NZ-OE1 3.24Å; K270-E272 IonicContact NZ-OE2 2.69Å; K270-E272 PolarHBondContact NZ-OE2 3.44Å
271M44.1Very low46.4Very low186 Ų186147.7 Ų147.792%0.91677%0.774SS**  trans-83.3133.6168-68.7-173.4176.600109.3H269H269-M271 PolarHBondContact O-N 3.4Å
272E50.8Low46.2Very low134 Ų134150.6 Ų150.663%0.62680%0.795SS**  trans-132.1126.5-178.5-162155.3-172.100107.7K270 V274K270-E272 VanDerWaalsContact CE-OE2 3.31Å; K270-E272 WeakPolarHBondContact CE-OE2 3.5Å; K270-E272 IonicContact NZ-OE1 3.72Å; K270-E272 PolarHBondContact NZ-OE1 3.24Å; K270-E272 IonicContact NZ-OE2 2.69Å; K270-E272 PolarHBondContact NZ-OE2 3.44Å; E272-V274 PolarHBondContact O-N 3.42Å
273P48.4Very low46.3Very low121 Ų121151.9 Ų151.979%0.78679%0.792SS**  trans-77.2116.9-164.528.5-34.4000112.3V275P273-V275 PolarHBondContact O-N 3.38Å
274V47.9Very low46.5Very low111 Ų111156 Ų15667%0.67379%0.793SS**  trans-84.9110.9173.1-178.20000109.7E272 Y276E272-V274 PolarHBondContact O-N 3.42Å; V274-Y276 HydrophobicContact CB-CE2 4.34Å; V274-Y276 HydrophobicContact CG1-CD2 3.99Å; V274-Y276 HydrophobicContact CG1-CE2 3.57Å
275V53.6Low47.2Very low136 Ų136157.6 Ų157.682%0.82479%0.788SS**PPolyproline II helixtrans-83.7118173.2-179.90000109.6P273P273-V275 PolarHBondContact O-N 3.38Å
276Y49.8Very low47.4Very low211 Ų211156.1 Ų156.183%0.82779%0.787SS**PPolyproline II helixtrans-94.4129.1168.9-77.5-89000110.6V274V274-Y276 HydrophobicContact CB-CE2 4.34Å; V274-Y276 HydrophobicContact CG1-CD2 3.99Å; V274-Y276 HydrophobicContact CG1-CE2 3.57Å
277A48.3Very low47.6Very low82 Ų82156.1 Ų156.168%0.67878%0.784SS**PPolyproline II helixtrans-95.6125.1170.700000110.4I279A277-I279 PolarHBondContact O-N 3.1Å; A277-I279 VanDerWaalsContact O-N 3.13Å
278D53.5Low48Very low122 Ų122160.6 Ų160.665%0.65280%0.796SS**  trans-74.796.5172.6-177.915.7000109.9R280D278-R280 VanDerWaalsContact C-N 3.27Å; D278-R280 PolarHBondContact O-N 2.75Å; D278-R280 VanDerWaalsContact O-N 3.1Å; D278-R280 IonicContact OD2-NE 3.36Å; D278-R280 IonicContact OD2-NH2 2.75Å; D278-R280 PolarHBondContact OD2-NH2 2.97Å
279I51.1Low48Very low149 Ų149156.6 Ų156.676%0.76479%0.785SS**  trans-83.975.6171.7-52.5179000108.6A277 K281A277-I279 PolarHBondContact O-N 3.1Å; A277-I279 VanDerWaalsContact O-N 3.13Å; I279-K281 PolarHBondContact O-N 3.05Å
280R52.4Low48.4Very low208 Ų208156.9 Ų156.979%0.78579%0.791SS**  trans-72.594.6171.5-167176-55.9-167.85.1110.5D278D278-R280 VanDerWaalsContact C-N 3.27Å; D278-R280 PolarHBondContact O-N 2.75Å; D278-R280 VanDerWaalsContact O-N 3.1Å; D278-R280 IonicContact OD2-NE 3.36Å; D278-R280 IonicContact OD2-NH2 2.75Å; D278-R280 PolarHBondContact OD2-NH2 2.97Å
281K50.3Low49.2Very low190 Ų190156.4 Ų156.483%0.82680%0.798SS**  trans-91.1145172.4-171.2-179.6-179.3-177.80110.3I279I279-K281 PolarHBondContact O-N 3.05Å
282N40.7Very low49.7Very low227 Ų227153.7 Ų153.7100%1.21479%0.787SS**  trans77.30176.8-163.3111.2000114.4

Retrieved 282 of 282 residues in 670.5 ms (Link to these results)