A0A674C7L6_SALTR Loading...

Ras association domain family member 2a

AlphaFold DB , UniProt , Accession A0A674C7L6, Species SALTR (Salmo trutta, Brown trout), Gene RASSF2, Length 320 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
1M37.8Very low67Low230 Ų23099 Ų99100%1.13352%0.515SS*.  0640-80.9176.5171.600106.1
2D40.4Very low68.6Low131 Ų13199.3 Ų99.370%0.70152%0.518SS*.  trans-135.413.1-157.6-62.7-70.4000115.6
3N44.6Very low69.8Low166 Ų166103.5 Ų103.589%0.88854%0.541SS*.SBendtrans-96.89.1-179.9-86.71.1000114.6
4M51.6Low71.2Confident166 Ų166104.8 Ų104.882%0.81854%0.54SS*.SBendtrans-93.4-5.9-176.6-140.1154.877.200113.8
5Q56.8Low72.5Confident160 Ų160105.2 Ų105.275%0.74854%0.537SS*.THydrogen-bonded Turntrans-86.5-5.8-176.7-91.6167.7-19.900115.1
6D72.3Confident73.8Confident90 Ų90101.1 Ų101.148%0.48152%0.516SS..THydrogen-bonded Turntrans-118.811.4-177.4-160.331.3000113.9S17 K18D6-S17 WeakPolarHBondContact O-CA 3.46Å; D6-K18 PolarHBondContact O-N 3.45Å; D6-K18 WeakPolarHBondContact OD1-CB 3.32Å; D6-K18 WeakPolarHBondContact OD1-CD 3.35Å; D6-K18 VanDerWaalsContact OD1-CG 3.29Å; D6-K18 WeakPolarHBondContact OD1-CG 3.33Å
7G82.4Confident75Confident31 Ų3197.9 Ų97.932%0.3251%0.505SS..EExtended strand (participates in β ladder)trans-98.5126.1-179.600000112.7I16G7-I16 CarbonylContact C-O 3.58Å
8V87.4Confident76Confident18 Ų1894.1 Ų94.111%0.10948%0.484CS..EExtended strand (participates in β ladder)trans-87.3123.4165.1-178.30000108.4F15 I16 K18 V21 L48 V237V8-F15 CarbonylContact O-C 3.59Å; V8-F15 WeakPolarHBondContact O-CA 3.5Å; V8-I16 PolarHBondContact N-O 3.38Å; V8-I16 PolarHBondContact O-N 3.12Å; V8-K18 HydrophobicContact CG2-CG 4Å; V8-V21 HydrophobicContact CB-CG2 3.99Å; V8-V21 HydrophobicContact CG1-CG2 4.26Å; V8-V21 HydrophobicContact CG2-CG2 3.98Å; V8-L48 HydrophobicContact CG2-CB 4.24Å; V8-L48 HydrophobicContact CG2-CD2 4.15Å; V8-V237 HydrophobicContact CG1-CG1 4.49Å
9Q87.8Confident76.9Confident68 Ų6892.6 Ų92.632%0.31849%0.487SS..EExtended strand (participates in β ladder)trans-71.5133.3177.3-162-175.12.900110.6G11 F15 Y234Q9-G11 WeakPolarHBondContact CG-O 3.49Å; Q9-G11 PolarHBondContact NE2-O 2.99Å; Q9-F15 HydrophobicContact CB-CD1 4.02Å; Q9-F15 HydrophobicContact CB-CE1 3.75Å; Q9-F15 HydrophobicContact CG-CD1 4.31Å; Q9-F15 HydrophobicContact CG-CE1 3.85Å; Q9-F15 HydrophobicContact CG-CZ 4.13Å; Q9-Y234 HydrophobicContact CB-CE2 3.97Å; Q9-Y234 HydrophobicContact CG-CE2 3.78Å; Q9-Y234 WeakPolarHBondContact O-CD2 3.38Å; Q9-Y234 PolarHBondContact OE1-OH 2.82Å
10I88.3Confident77.8Confident29 Ų2990.7 Ų90.715%0.14948%0.479CS..EExtended strand (participates in β ladder)trans-118.5-9.9178.562.8163000113.5K14 I16 V237 L241I10-K14 HydrophobicContact CD1-CB 4.02Å; I10-K14 HydrophobicContact CG1-CB 3.54Å; I10-K14 WeakPolarHBondContact CG1-O 3.5Å; I10-K14 PolarHBondContact N-O 3.41Å; I10-I16 HydrophobicContact CD1-CD1 3.73Å; I10-I16 HydrophobicContact CD1-CG1 3.89Å; I10-I16 HydrophobicContact CG1-CG1 4.46Å; I10-I16 HydrophobicContact CG2-CB 4.4Å; I10-I16 HydrophobicContact CG2-CD1 4.02Å; I10-I16 HydrophobicContact CG2-CG1 4.12Å; I10-V237 HydrophobicContact CG2-CG1 3.71Å; I10-L241 HydrophobicContact CG2-CD1 4.22Å
11G87.8Confident78.7Confident0 Ų086.4 Ų86.40%046%0.457CS..EExtended strand (participates in β ladder)trans177.3-168.4179.600000111.4Q9 N13 K14 S232Q9-G11 WeakPolarHBondContact CG-O 3.49Å; Q9-G11 PolarHBondContact NE2-O 2.99Å; G11-N13 PolarHBondContact O-N 2.79Å; G11-N13 VanDerWaalsContact O-N 3.09Å; G11-K14 PolarHBondContact O-N 3.22Å; G11-S232 WeakPolarHBondContact CA-O 3.33Å
12D86.2Confident81.4Confident103 Ų10378.5 Ų78.555%0.55142%0.419SS*.THydrogen-bonded Turntrans-58.6114.7176.1-70.3-38.5000111.2K14 S232D12-K14 PolarHBondContact O-N 3.17Å; D12-K14 VanDerWaalsContact O-N 3.08Å; D12-S232 WeakPolarHBondContact OD1-CB 3.44Å; D12-S232 PolarHBondContact OD1-OG 2.9Å; D12-S232 VanDerWaalsContact OD2-CB 3.31Å; D12-S232 WeakPolarHBondContact OD2-CB 3.33Å; D12-S232 PolarHBondContact OD2-OG 3Å
13N83.8Confident84.1Confident153 Ų15375.7 Ų75.782%0.81841%0.409SS*.THydrogen-bonded Turntrans52.926.3179.8-59.9-21.7000114.7G11G11-N13 PolarHBondContact O-N 2.79Å; G11-N13 VanDerWaalsContact O-N 3.09Å
14K89.6Confident86.6Confident122 Ų12271.2 Ų71.253%0.5338%0.383SS..EExtended strand (participates in β ladder)trans-116.8126.8177.3-69.6-178.2-177.5-1750110.3I10 G11 D12I10-K14 HydrophobicContact CD1-CB 4.02Å; I10-K14 HydrophobicContact CG1-CB 3.54Å; I10-K14 WeakPolarHBondContact CG1-O 3.5Å; I10-K14 PolarHBondContact N-O 3.41Å; G11-K14 PolarHBondContact O-N 3.22Å; D12-K14 PolarHBondContact O-N 3.17Å; D12-K14 VanDerWaalsContact O-N 3.08Å
15F91.6Very high88.8Confident111 Ų11163.5 Ų63.549%0.48735%0.345SS..EExtended strand (participates in β ladder)trans-130.8147.2-178.5-62.7-91.2000110.8V8 Q9V8-F15 CarbonylContact O-C 3.59Å; V8-F15 WeakPolarHBondContact O-CA 3.5Å; Q9-F15 HydrophobicContact CB-CD1 4.02Å; Q9-F15 HydrophobicContact CB-CE1 3.75Å; Q9-F15 HydrophobicContact CG-CD1 4.31Å; Q9-F15 HydrophobicContact CG-CE1 3.85Å; Q9-F15 HydrophobicContact CG-CZ 4.13Å
16I92.9Very high90.7Very high39 Ų3963 Ų6320%0.234%0.34CS..EExtended strand (participates in β ladder)trans-127145.9173-68.1-175.3000108.2G7 V8 I10 T20 V21 L241G7-I16 CarbonylContact C-O 3.58Å; V8-I16 PolarHBondContact N-O 3.38Å; V8-I16 PolarHBondContact O-N 3.12Å; I10-I16 HydrophobicContact CD1-CD1 3.73Å; I10-I16 HydrophobicContact CD1-CG1 3.89Å; I10-I16 HydrophobicContact CG1-CG1 4.46Å; I10-I16 HydrophobicContact CG2-CB 4.4Å; I10-I16 HydrophobicContact CG2-CD1 4.02Å; I10-I16 HydrophobicContact CG2-CG1 4.12Å; I16-T20 VanDerWaalsContact CG2-CB 3.47Å; I16-T20 HydrophobicContact CG2-CG2 3.6Å; I16-V21 HydrophobicContact CB-CG2 4.48Å; I16-V21 HydrophobicContact CG2-CG2 4.02Å; I16-L241 HydrophobicContact CD1-CD1 3.64Å; I16-L241 HydrophobicContact CD1-CD2 3.93Å; I16-L241 HydrophobicContact CD1-CG 4.46Å
17S93.5Very high91.9Very high48 Ų4863 Ų6334%0.33634%0.344SS..EExtended strand (participates in β ladder)trans-63.2145.1177.964.10000112.6D6 A19 T20 V21D6-S17 WeakPolarHBondContact O-CA 3.46Å; S17-A19 PolarHBondContact O-N 3.31Å; S17-T20 WeakPolarHBondContact O-CB 3.27Å; S17-T20 PolarHBondContact O-N 2.96Å; S17-T20 PolarHBondContact OG-N 3.2Å; S17-T20 PolarHBondContact OG-OG1 2.86Å; S17-V21 PolarHBondContact O-N 3.31Å
18K93.2Very high92.6Very high29 Ų2961.8 Ų61.813%0.12633%0.329CS..Hα-helixtrans-51.9-43.1174.9-69-175.8-171.7171.40111.9D6 V8 T20 V21 L22 E43 G46 L48D6-K18 PolarHBondContact O-N 3.45Å; D6-K18 WeakPolarHBondContact OD1-CB 3.32Å; D6-K18 WeakPolarHBondContact OD1-CD 3.35Å; D6-K18 VanDerWaalsContact OD1-CG 3.29Å; D6-K18 WeakPolarHBondContact OD1-CG 3.33Å; V8-K18 HydrophobicContact CG2-CG 4Å; K18-T20 VanDerWaalsContact C-N 3.29Å; K18-T20 PolarHBondContact O-N 3.17Å; K18-V21 PolarHBondContact O-N 3.33Å; K18-V21 VanDerWaalsContact O-N 3.16Å; K18-L22 WeakPolarHBondContact O-CG 3.44Å; K18-L22 PolarHBondContact O-N 3.03Å; K18-E43 IonicContact NZ-OE1 3.47Å; K18-E43 PolarHBondContact NZ-OE1 3.2Å; K18-G46 WeakPolarHBondContact CE-O 3.29Å; K18-G46 PolarHBondContact NZ-O 3.27Å; K18-L48 HydrophobicContact CB-CD2 4.33Å; K18-L48 HydrophobicContact CD-CB 4.24Å; K18-L48 HydrophobicContact CG-CB 4.18Å; K18-L48 HydrophobicContact CG-CD2 4.48Å
19A93.6Very high93.1Very high65 Ų6562.4 Ų62.454%0.53733%0.332SS..Hα-helixtrans-56.8-40.2177.900000113S17 S23S17-A19 PolarHBondContact O-N 3.31Å; A19-S23 WeakPolarHBondContact O-CB 3.49Å; A19-S23 PolarHBondContact O-N 3.29Å
20T95.1Very high93.6Very high54 Ų5464.2 Ų64.233%0.33134%0.343SS..Hα-helixtrans-66.8-45.4177.5-57.70000110.8I16 S17 K18 L22 S23 H24I16-T20 VanDerWaalsContact CG2-CB 3.47Å; I16-T20 HydrophobicContact CG2-CG2 3.6Å; S17-T20 WeakPolarHBondContact O-CB 3.27Å; S17-T20 PolarHBondContact O-N 2.96Å; S17-T20 PolarHBondContact OG-N 3.2Å; S17-T20 PolarHBondContact OG-OG1 2.86Å; K18-T20 VanDerWaalsContact C-N 3.29Å; K18-T20 PolarHBondContact O-N 3.17Å; T20-L22 PolarHBondContact O-N 2.94Å; T20-S23 PolarHBondContact O-N 3.49Å; T20-H24 PolarHBondContact O-N 3.15Å; T20-H24 PolarHBondContact O-ND1 2.86Å
21V95.4Very high94Very high2 Ų268.7 Ų68.71%0.01236%0.359CS..Hα-helixtrans-61.9-44.8177.9178.10000110.9V8 I16 S17 K18 S23 H24 L25 L48 V50V8-V21 HydrophobicContact CB-CG2 3.99Å; V8-V21 HydrophobicContact CG1-CG2 4.26Å; V8-V21 HydrophobicContact CG2-CG2 3.98Å; I16-V21 HydrophobicContact CB-CG2 4.48Å; I16-V21 HydrophobicContact CG2-CG2 4.02Å; S17-V21 PolarHBondContact O-N 3.31Å; K18-V21 PolarHBondContact O-N 3.33Å; K18-V21 VanDerWaalsContact O-N 3.16Å; V21-S23 VanDerWaalsContact C-N 3.34Å; V21-S23 PolarHBondContact O-N 3.44Å; V21-H24 PolarHBondContact O-N 3.11Å; V21-L25 VanDerWaalsContact O-CB 3.3Å; V21-L25 WeakPolarHBondContact O-CB 3.35Å; V21-L25 PolarHBondContact O-N 3.49Å; V21-L48 HydrophobicContact CB-CD2 4.1Å; V21-L48 HydrophobicContact CG1-CD2 3.97Å; V21-V50 HydrophobicContact CG1-CG2 4.41Å
22L96.1Very high94.4Very high64 Ų6469.7 Ų69.734%0.33536%0.363SS..Hα-helixtrans-62.8-38.6177.3-70.8173.5000112.5K18 T20 L25 K26 L48K18-L22 WeakPolarHBondContact O-CG 3.44Å; K18-L22 PolarHBondContact O-N 3.03Å; T20-L22 PolarHBondContact O-N 2.94Å; L22-L25 HydrophobicContact CD2-CD2 4.39Å; L22-L25 PolarHBondContact O-N 3.23Å; L22-K26 WeakPolarHBondContact O-CB 3.4Å; L22-K26 PolarHBondContact O-N 2.99Å; L22-L48 HydrophobicContact CD2-CD1 3.86Å; L22-L48 HydrophobicContact CD2-CD2 3.99Å; L22-L48 HydrophobicContact CG-CD2 3.93Å
23S96.7Very high94.8Very high71 Ų7171.7 Ų71.750%0.49737%0.369SS..Hα-helixtrans-62.3-45.9174.5-173.90000111.7A19 T20 V21 K26 T27A19-S23 WeakPolarHBondContact O-CB 3.49Å; A19-S23 PolarHBondContact O-N 3.29Å; T20-S23 PolarHBondContact O-N 3.49Å; V21-S23 VanDerWaalsContact C-N 3.34Å; V21-S23 PolarHBondContact O-N 3.44Å; S23-K26 PolarHBondContact O-N 3.5Å; S23-T27 PolarHBondContact O-N 3.04Å; S23-T27 PolarHBondContact O-OG1 2.77Å
24H97.4Very high95.1Very high72 Ų7267.8 Ų67.833%0.33337%0.365SS..Hα-helixtrans-65.6-40.7176.6-72.477.5000111.5T20 V21 K26 T27 Y28 V240T20-H24 PolarHBondContact O-N 3.15Å; T20-H24 PolarHBondContact O-ND1 2.86Å; V21-H24 PolarHBondContact O-N 3.11Å; H24-K26 VanDerWaalsContact C-N 3.32Å; H24-K26 PolarHBondContact O-N 3.4Å; H24-T27 PolarHBondContact O-N 3.1Å; H24-Y28 WeakPolarHBondContact O-CB 3.49Å; H24-Y28 PolarHBondContact O-N 3.41Å; H24-V240 HydrophobicContact CB-CG1 3.69Å
25L97.4Very high95.2Very high4 Ų467.7 Ų67.72%0.02137%0.366CS..Hα-helixtrans-60.9-39.6176.7-178.763.8000112.1V21 L22 Y28 N29 L39 H41 V50 V240V21-L25 VanDerWaalsContact O-CB 3.3Å; V21-L25 WeakPolarHBondContact O-CB 3.35Å; V21-L25 PolarHBondContact O-N 3.49Å; L22-L25 HydrophobicContact CD2-CD2 4.39Å; L22-L25 PolarHBondContact O-N 3.23Å; L25-Y28 WeakPolarHBondContact O-CB 3.36Å; L25-Y28 PolarHBondContact O-N 3.26Å; L25-N29 WeakPolarHBondContact O-CB 3.5Å; L25-N29 PolarHBondContact O-N 3.44Å; L25-L39 HydrophobicContact CD1-CB 3.6Å; L25-L39 HydrophobicContact CD1-CD1 4.04Å; L25-L39 HydrophobicContact CD1-CG 4.4Å; L25-H41 HydrophobicContact CD2-CB 3.73Å; L25-V50 HydrophobicContact CD1-CG1 3.89Å; L25-V50 HydrophobicContact CD2-CG1 4.28Å; L25-V50 HydrophobicContact CD2-CG2 4.13Å; L25-V240 HydrophobicContact CB-CG1 4.28Å; L25-V240 HydrophobicContact CD1-CG2 4.39Å
26K97.3Very high95.2Very high151 Ų15169.4 Ų69.466%0.65738%0.38SS*.Hα-helixtrans-60.3-49.7175.4-173.9178179.6-179.80110.9L22 S23 H24 Y28 N29 L30L22-K26 WeakPolarHBondContact O-CB 3.4Å; L22-K26 PolarHBondContact O-N 2.99Å; S23-K26 PolarHBondContact O-N 3.5Å; H24-K26 VanDerWaalsContact C-N 3.32Å; H24-K26 PolarHBondContact O-N 3.4Å; K26-Y28 VanDerWaalsContact C-N 3.33Å; K26-Y28 PolarHBondContact O-N 2.88Å; K26-N29 PolarHBondContact O-N 3.24Å; K26-L30 HydrophobicContact CG-CD1 4.33Å; K26-L30 WeakPolarHBondContact O-CD1 3.42Å; K26-L30 WeakPolarHBondContact O-CG 3.43Å; K26-L30 PolarHBondContact O-N 2.97Å
27T96.8Very high95.3Very high90 Ų9069 Ų6955%0.55238%0.379SS*.Hα-helixtrans-62.3-40.1176-54.20000112S23 H24 L30 Y31S23-T27 PolarHBondContact O-N 3.04Å; S23-T27 PolarHBondContact O-OG1 2.77Å; H24-T27 PolarHBondContact O-N 3.1Å; T27-L30 PolarHBondContact O-N 3.45Å; T27-Y31 PolarHBondContact O-N 2.89Å
28Y97.6Very high95.4Very high4 Ų470.2 Ų70.22%0.01638%0.379CS..Hα-helixtrans-59.8-47.9176.1-174.2-78.4000111.7H24 L25 K26 L30 Y31 Y32 L39 R239 P244H24-Y28 WeakPolarHBondContact O-CB 3.49Å; H24-Y28 PolarHBondContact O-N 3.41Å; L25-Y28 WeakPolarHBondContact O-CB 3.36Å; L25-Y28 PolarHBondContact O-N 3.26Å; K26-Y28 VanDerWaalsContact C-N 3.33Å; K26-Y28 PolarHBondContact O-N 2.88Å; Y28-L30 PolarHBondContact O-N 3.28Å; Y28-Y31 WeakPolarHBondContact O-CB 3.44Å; Y28-Y31 PolarHBondContact O-N 2.86Å; Y28-Y32 HydrophobicContact CD1-CD2 4.1Å; Y28-Y32 AromaticContact CE1-CD2 3.53Å; Y28-Y32 HydrophobicContact CE1-CD2 3.53Å; Y28-Y32 AromaticContact CE1-CE2 3.77Å; Y28-Y32 HydrophobicContact CE1-CE2 3.77Å; Y28-Y32 HydrophobicContact CE2-CE2 4.3Å; Y28-Y32 AromaticContact CZ-CD2 3.9Å; Y28-Y32 AromaticContact CZ-CE2 3.61Å; Y28-Y32 PolarHBondContact O-N 3.34Å; Y28-Y32 WeakPolarHBondContact OH-CE2 3.38Å; Y28-L39 HydrophobicContact CD1-CD1 3.91Å; Y28-L39 HydrophobicContact CD1-CG 3.99Å; Y28-L39 HydrophobicContact CE1-CD1 3.69Å; Y28-L39 HydrophobicContact CE1-CD2 4.45Å; Y28-L39 HydrophobicContact CE1-CG 3.61Å; Y28-L39 HydrophobicContact CG-CD1 4.47Å; Y28-R239 HydrophobicContact CE2-CG 3.99Å; Y28-P244 HydrophobicContact CD1-CB 4.49Å; Y28-P244 HydrophobicContact CD2-CB 3.6Å; Y28-P244 HydrophobicContact CD2-CG 4.31Å; Y28-P244 VanDerWaalsContact CE2-CA 3.44Å; Y28-P244 HydrophobicContact CE2-CB 3.66Å; Y28-P244 HydrophobicContact CG-CB 4.03Å
29N97.7Very high95.6Very high32 Ų3269 Ų6917%0.17137%0.374CS..Hα-helixtrans-73.4-25.6-177.2-78.5-15.3000113.8L25 K26 Y31 Y32 E33 Q38 L39L25-N29 WeakPolarHBondContact O-CB 3.5Å; L25-N29 PolarHBondContact O-N 3.44Å; K26-N29 PolarHBondContact O-N 3.24Å; N29-Y31 VanDerWaalsContact C-N 3.31Å; N29-Y32 CarbonylContact O-C 3.6Å; N29-Y32 PolarHBondContact O-N 2.77Å; N29-E33 PolarHBondContact O-N 3.27Å; N29-E33 VanDerWaalsContact O-N 3.15Å; N29-Q38 PolarHBondContact O-NE2 2.88Å; N29-L39 PolarHBondContact ND2-O 2.95Å; N29-L39 PolarHBondContact OD1-N 2.78Å; N29-L39 PolarHBondContact OD1-O 3.35Å
30L97.3Very high95.7Very high105 Ų10573.8 Ų73.855%0.5538%0.378SS..Hα-helixtrans-61.2-40.5169.8-84155.8000111.2K26 T27 Y28 Y32 E33K26-L30 HydrophobicContact CG-CD1 4.33Å; K26-L30 WeakPolarHBondContact O-CD1 3.42Å; K26-L30 WeakPolarHBondContact O-CG 3.43Å; K26-L30 PolarHBondContact O-N 2.97Å; T27-L30 PolarHBondContact O-N 3.45Å; Y28-L30 PolarHBondContact O-N 3.28Å; L30-Y32 VanDerWaalsContact C-N 3.31Å; L30-Y32 PolarHBondContact O-N 3Å; L30-E33 PolarHBondContact O-N 3.15Å
31Y96.6Very high95.8Very high124 Ų12476.2 Ų76.249%0.48639%0.385SS..Hα-helixtrans-65.5-34.4177.7-178-86.7000112.9T27 Y28 N29 P244 C245T27-Y31 PolarHBondContact O-N 2.89Å; Y28-Y31 WeakPolarHBondContact O-CB 3.44Å; Y28-Y31 PolarHBondContact O-N 2.86Å; N29-Y31 VanDerWaalsContact C-N 3.31Å; Y31-P244 HydrophobicContact CD1-CB 3.58Å; Y31-P244 HydrophobicContact CD1-CG 3.8Å; Y31-P244 HydrophobicContact CD2-CG 3.87Å; Y31-P244 HydrophobicContact CE1-CB 4.28Å; Y31-P244 HydrophobicContact CG-CB 3.73Å; Y31-P244 HydrophobicContact CG-CG 3.37Å; Y31-C245 HydrophobicContact CE2-CB 4.33Å
32Y96.1Very high95.7Very high20 Ų2080.6 Ų80.68%0.07840%0.401CS..THydrogen-bonded Turntrans-101.123.8-179.7-71.6-61.6000113.2Y28 N29 L30 G34 H35 L37 Q38 P244Y28-Y32 HydrophobicContact CD1-CD2 4.1Å; Y28-Y32 AromaticContact CE1-CD2 3.53Å; Y28-Y32 HydrophobicContact CE1-CD2 3.53Å; Y28-Y32 AromaticContact CE1-CE2 3.77Å; Y28-Y32 HydrophobicContact CE1-CE2 3.77Å; Y28-Y32 HydrophobicContact CE2-CE2 4.3Å; Y28-Y32 AromaticContact CZ-CD2 3.9Å; Y28-Y32 AromaticContact CZ-CE2 3.61Å; Y28-Y32 PolarHBondContact O-N 3.34Å; Y28-Y32 WeakPolarHBondContact OH-CE2 3.38Å; N29-Y32 CarbonylContact O-C 3.6Å; N29-Y32 PolarHBondContact O-N 2.77Å; L30-Y32 VanDerWaalsContact C-N 3.31Å; L30-Y32 PolarHBondContact O-N 3Å; Y32-G34 PolarHBondContact O-N 3.45Å; Y32-G34 VanDerWaalsContact O-N 3.15Å; Y32-H35 HydrophobicContact CD1-CB 4.33Å; Y32-H35 WeakPolarHBondContact O-CB 3.4Å; Y32-H35 PolarHBondContact O-N 2.97Å; Y32-L37 HydrophobicContact CD1-CB 3.74Å; Y32-L37 HydrophobicContact CD1-CD1 4.13Å; Y32-L37 HydrophobicContact CD2-CB 3.98Å; Y32-L37 HydrophobicContact CE1-CB 3.87Å; Y32-L37 HydrophobicContact CE1-CD1 3.47Å; Y32-L37 VanDerWaalsContact CE1-CD1 3.47Å; Y32-L37 HydrophobicContact CE1-CG 4.28Å; Y32-L37 HydrophobicContact CE2-CB 4.08Å; Y32-L37 HydrophobicContact CE2-CD1 4.49Å; Y32-L37 HydrophobicContact CG-CB 3.79Å; Y32-Q38 WeakPolarHBondContact O-CG 3.42Å; Y32-P244 HydrophobicContact CD2-CB 3.86Å; Y32-P244 HydrophobicContact CE2-CB 3.41Å; Y32-P244 VanDerWaalsContact CE2-CB 3.41Å; Y32-P244 PolarHBondContact OH-O 3.45Å
33E95Very high95.6Very high146 Ų14683.7 Ų83.768%0.68241%0.414SS*.THydrogen-bonded Turntrans-53.7122.7-178.9-169167.7-155.800111.9N29 L30 H35N29-E33 PolarHBondContact O-N 3.27Å; N29-E33 VanDerWaalsContact O-N 3.15Å; L30-E33 PolarHBondContact O-N 3.15Å; E33-H35 VanDerWaalsContact C-N 3.29Å; E33-H35 PolarHBondContact O-CD2 3.47Å; E33-H35 PolarHBondContact O-N 3.47Å
34G90.7Very high95.3Very high70 Ų7084.7 Ų84.772%0.72241%0.411SS*.THydrogen-bonded Turntrans76.95.3-176.900000115.7Y32Y32-G34 PolarHBondContact O-N 3.45Å; Y32-G34 VanDerWaalsContact O-N 3.15Å
35H92.1Very high94.7Very high121 Ų12190.7 Ų90.756%0.5644%0.439SS*.SBendtrans-109.6156.2179.2-67.3-68.4000113.3Y32 E33 L37 Q38Y32-H35 HydrophobicContact CD1-CB 4.33Å; Y32-H35 WeakPolarHBondContact O-CB 3.4Å; Y32-H35 PolarHBondContact O-N 2.97Å; E33-H35 VanDerWaalsContact C-N 3.29Å; E33-H35 PolarHBondContact O-CD2 3.47Å; E33-H35 PolarHBondContact O-N 3.47Å; H35-L37 PolarHBondContact O-N 2.83Å; H35-Q38 WeakPolarHBondContact O-CG 3.21Å; H35-Q38 PolarHBondContact O-N 2.87Å
36N90.3Very high94Very high147 Ų14792.4 Ų92.479%0.78646%0.458SS*.THydrogen-bonded Turntrans-69.5-6.5-176.2-62.2-30.3000114.8
37L94.9Very high93.6Very high31 Ų3191 Ų9116%0.16245%0.454CS..THydrogen-bonded Turntrans-90.60.6178.4-67.2176.2000113.2Y32 H35 L39 L53Y32-L37 HydrophobicContact CD1-CB 3.74Å; Y32-L37 HydrophobicContact CD1-CD1 4.13Å; Y32-L37 HydrophobicContact CD2-CB 3.98Å; Y32-L37 HydrophobicContact CE1-CB 3.87Å; Y32-L37 HydrophobicContact CE1-CD1 3.47Å; Y32-L37 VanDerWaalsContact CE1-CD1 3.47Å; Y32-L37 HydrophobicContact CE1-CG 4.28Å; Y32-L37 HydrophobicContact CE2-CB 4.08Å; Y32-L37 HydrophobicContact CE2-CD1 4.49Å; Y32-L37 HydrophobicContact CG-CB 3.79Å; H35-L37 PolarHBondContact O-N 2.83Å; L37-L39 PolarHBondContact O-N 3.36Å; L37-L53 HydrophobicContact CD2-CB 3.84Å; L37-L53 HydrophobicContact CD2-CD1 4.43Å
38Q96.5Very high93.4Very high73 Ų7387.5 Ų87.534%0.34143%0.432SS..PPolyproline II helixtrans-60.1136.5170.5-67.4-173.2-55.300111.3N29 Y32 H35N29-Q38 PolarHBondContact O-NE2 2.88Å; Y32-Q38 WeakPolarHBondContact O-CG 3.42Å; H35-Q38 WeakPolarHBondContact O-CG 3.21Å; H35-Q38 PolarHBondContact O-N 2.87Å
39L97.3Very high93.3Very high4 Ų488 Ų882%0.02143%0.434CS..PPolyproline II helixtrans-95.7141.4177.9-58.3-178.4000109.4L25 Y28 N29 L37 V50 L236 V240L25-L39 HydrophobicContact CD1-CB 3.6Å; L25-L39 HydrophobicContact CD1-CD1 4.04Å; L25-L39 HydrophobicContact CD1-CG 4.4Å; Y28-L39 HydrophobicContact CD1-CD1 3.91Å; Y28-L39 HydrophobicContact CD1-CG 3.99Å; Y28-L39 HydrophobicContact CE1-CD1 3.69Å; Y28-L39 HydrophobicContact CE1-CD2 4.45Å; Y28-L39 HydrophobicContact CE1-CG 3.61Å; Y28-L39 HydrophobicContact CG-CD1 4.47Å; N29-L39 PolarHBondContact ND2-O 2.95Å; N29-L39 PolarHBondContact OD1-N 2.78Å; N29-L39 PolarHBondContact OD1-O 3.35Å; L37-L39 PolarHBondContact O-N 3.36Å; L39-V50 HydrophobicContact CB-CG1 3.91Å; L39-V50 HydrophobicContact CD1-CG1 4.09Å; L39-L236 HydrophobicContact CD1-CD1 4.06Å; L39-L236 HydrophobicContact CD2-CD1 4Å; L39-V240 HydrophobicContact CD1-CG2 3.46Å; L39-V240 VanDerWaalsContact CD1-CG2 3.46Å
40R96.3Very high93.3Very high165 Ų16586.6 Ų86.662%0.62343%0.427SS*.EExtended strand (participates in β ladder)trans-102.5153.9175.1-56.8178.3-162.2179.21.9108.3V50 E51R40-V50 CarbonylContact O-C 3.52Å; R40-V50 VanDerWaalsContact O-CA 3.3Å; R40-V50 WeakPolarHBondContact O-CA 3.45Å; R40-E51 HydrophobicContact CB-CG 4.22Å; R40-E51 PolarHBondContact N-O 2.96Å; R40-E51 PolarHBondContact O-N 3.31Å
41H95.8Very high93.3Very high105 Ų10584 Ų8449%0.48641%0.412SS..EExtended strand (participates in β ladder)trans-129.6152.417068.6-73.2000110.3L25 L48 I49 V50L25-H41 HydrophobicContact CD2-CB 3.73Å; H41-L48 HydrophobicContact CB-CD1 4.07Å; H41-I49 CarbonylContact C-O 3.48Å; H41-I49 WeakPolarHBondContact CA-O 3.36Å; H41-V50 HydrophobicContact CB-CG2 4.18Å
42R95.2Very high93.3Very high93 Ų9378 Ų7835%0.35139%0.389SS..EExtended strand (participates in β ladder)trans-141.8164.5170.466.4177-175.6-84.74108.7E44 I49 E51R42-E44 IonicContact CZ-OE2 3.97Å; R42-E44 IonicContact NE-OE2 2.8Å; R42-E44 PolarHBondContact NE-OE2 2.8Å; R42-E44 IonicContact NH2-OE2 2.7Å; R42-E44 PolarHBondContact NH2-OE2 3.05Å; R42-I49 HydrophobicContact CG-CB 4.01Å; R42-I49 PolarHBondContact N-O 2.9Å; R42-I49 PolarHBondContact O-N 2.69Å; R42-E51 IonicContact CZ-OE2 3.96Å; R42-E51 IonicContact NH1-OE2 3.89Å; R42-E51 PolarHBondContact NH1-OE2 3.01Å
43E92.6Very high93.4Very high130 Ų13078.8 Ų78.861%0.60739%0.394SS*.EExtended strand (participates in β ladder)trans-112.9123.6169.8-168.6160-152.800108.3K18 E47K18-E43 IonicContact NZ-OE1 3.47Å; K18-E43 PolarHBondContact NZ-OE1 3.2Å; E43-E47 WeakPolarHBondContact CA-O 3.45Å
44E89.9Confident93.5Very high91 Ų9171.8 Ų71.843%0.42536%0.361SS..EExtended strand (participates in β ladder)trans-131.3123.6-176.3-169.8168.9-176.200107.2R42 G46 E47 I49R42-E44 IonicContact CZ-OE2 3.97Å; R42-E44 IonicContact NE-OE2 2.8Å; R42-E44 PolarHBondContact NE-OE2 2.8Å; R42-E44 IonicContact NH2-OE2 2.7Å; R42-E44 PolarHBondContact NH2-OE2 3.05Å; E44-G46 PolarHBondContact O-N 2.75Å; E44-E47 PolarHBondContact N-O 2.95Å; E44-E47 PolarHBondContact O-N 2.93Å; E44-I49 HydrophobicContact CB-CD1 3.7Å; E44-I49 HydrophobicContact CB-CG1 4.49Å; E44-I49 HydrophobicContact CG-CD1 4.39Å; E44-I49 WeakPolarHBondContact OE2-CD1 3.41Å
45E86.1Confident93.9Very high198 Ų19869.3 Ų69.393%0.92533%0.331SS*.THydrogen-bonded Turntrans54.325.1-176.9-56.9-174.7169.700114.8E47E45-E47 VanDerWaalsContact C-N 3.33Å
46G82.5Confident94.2Very high40 Ų4063.6 Ų63.641%0.41231%0.305SS..THydrogen-bonded Turntrans81.98-176.300000114.2K18 E44K18-G46 WeakPolarHBondContact CE-O 3.29Å; K18-G46 PolarHBondContact NZ-O 3.27Å; E44-G46 PolarHBondContact O-N 2.75Å
47E87.6Confident94.5Very high123 Ų12356.6 Ų56.658%0.57527%0.267SS*.EExtended strand (participates in β ladder)trans-101.9138.1172.9-62.4-168.9165.900111.5E43 E44 E45 I49E43-E47 WeakPolarHBondContact CA-O 3.45Å; E44-E47 PolarHBondContact N-O 2.95Å; E44-E47 PolarHBondContact O-N 2.93Å; E45-E47 VanDerWaalsContact C-N 3.33Å; E47-I49 PolarHBondContact O-N 3.23Å
48L93.6Very high94.6Very high16 Ų1655.2 Ų55.28%0.08426%0.26CS..EExtended strand (participates in β ladder)trans-80113.7174.6176.464.9000109.8V8 K18 V21 L22 H41 V50V8-L48 HydrophobicContact CG2-CB 4.24Å; V8-L48 HydrophobicContact CG2-CD2 4.15Å; K18-L48 HydrophobicContact CB-CD2 4.33Å; K18-L48 HydrophobicContact CD-CB 4.24Å; K18-L48 HydrophobicContact CG-CB 4.18Å; K18-L48 HydrophobicContact CG-CD2 4.48Å; V21-L48 HydrophobicContact CB-CD2 4.1Å; V21-L48 HydrophobicContact CG1-CD2 3.97Å; L22-L48 HydrophobicContact CD2-CD1 3.86Å; L22-L48 HydrophobicContact CD2-CD2 3.99Å; L22-L48 HydrophobicContact CG-CD2 3.93Å; H41-L48 HydrophobicContact CB-CD1 4.07Å; L48-V50 HydrophobicContact CG-CG2 4.44Å
49I95.8Very high94.6Very high13 Ų1351.9 Ų51.97%0.06725%0.245CC..EExtended strand (participates in β ladder)trans-107.7116.4176.6-55.4-179.3000109.6H41 R42 E44 E47 N190 S191H41-I49 CarbonylContact C-O 3.48Å; H41-I49 WeakPolarHBondContact CA-O 3.36Å; R42-I49 HydrophobicContact CG-CB 4.01Å; R42-I49 PolarHBondContact N-O 2.9Å; R42-I49 PolarHBondContact O-N 2.69Å; E44-I49 HydrophobicContact CB-CD1 3.7Å; E44-I49 HydrophobicContact CB-CG1 4.49Å; E44-I49 HydrophobicContact CG-CD1 4.39Å; E44-I49 WeakPolarHBondContact OE2-CD1 3.41Å; E47-I49 PolarHBondContact O-N 3.23Å; I49-N190 HydrophobicContact CG2-CB 4.12Å; I49-S191 WeakPolarHBondContact CA-OG 3.43Å
50V96.9Very high94.4Very high3 Ų352.1 Ų52.12%0.01825%0.247CC..EExtended strand (participates in β ladder)trans-98.4137.1169.4-174.80000108.5V21 L25 L39 R40 H41 L48 N190 S191 L236V21-V50 HydrophobicContact CG1-CG2 4.41Å; L25-V50 HydrophobicContact CD1-CG1 3.89Å; L25-V50 HydrophobicContact CD2-CG1 4.28Å; L25-V50 HydrophobicContact CD2-CG2 4.13Å; L39-V50 HydrophobicContact CB-CG1 3.91Å; L39-V50 HydrophobicContact CD1-CG1 4.09Å; R40-V50 CarbonylContact O-C 3.52Å; R40-V50 VanDerWaalsContact O-CA 3.3Å; R40-V50 WeakPolarHBondContact O-CA 3.45Å; H41-V50 HydrophobicContact CB-CG2 4.18Å; L48-V50 HydrophobicContact CG-CG2 4.44Å; V50-N190 CarbonylContact O-C 3.49Å; V50-N190 WeakPolarHBondContact O-CA 3.48Å; V50-N190 WeakPolarHBondContact O-CB 3.45Å; V50-S191 PolarHBondContact N-OG 3.26Å; V50-S191 PolarHBondContact O-N 3.16Å; V50-S191 PolarHBondContact O-OG 3.06Å; V50-L236 HydrophobicContact CB-CD2 4.45Å; V50-L236 HydrophobicContact CG1-CD2 4.28Å; V50-L236 VanDerWaalsContact O-CD2 3.31Å; V50-L236 WeakPolarHBondContact O-CD2 3.45Å
51E97.4Very high94.1Very high50 Ų5052.4 Ų52.423%0.23425%0.248CC..EExtended strand (participates in β ladder)trans-141.2146.718057.3161.2-130.900112.7R40 R42 R188 I189 N190R40-E51 HydrophobicContact CB-CG 4.22Å; R40-E51 PolarHBondContact N-O 2.96Å; R40-E51 PolarHBondContact O-N 3.31Å; R42-E51 IonicContact CZ-OE2 3.96Å; R42-E51 IonicContact NH1-OE2 3.89Å; R42-E51 PolarHBondContact NH1-OE2 3.01Å; E51-R188 IonicContact OE1-NH2 3.65Å; E51-R188 PolarHBondContact OE1-NH2 3.22Å; E51-I189 WeakPolarHBondContact CA-O 3.32Å; E51-N190 HydrophobicContact CB-CB 4.05Å
52G97.3Very high93.8Very high0 Ų052.7 Ų52.70%024%0.244CC..EExtended strand (participates in β ladder)trans170.3-164.3-179.300000114R188 I189G52-R188 WeakPolarHBondContact O-CA 3.32Å; G52-I189 PolarHBondContact N-O 2.59Å; G52-I189 PolarHBondContact O-N 3.26Å
53L97.9Very high93.5Very high35 Ų3548.6 Ų48.618%0.18323%0.23CC..EExtended strand (participates in β ladder)trans-90.6127.4174.7-69.2176000109.5L37 N186 V187 R188L37-L53 HydrophobicContact CD2-CB 3.84Å; L37-L53 HydrophobicContact CD2-CD1 4.43Å; L53-N186 HydrophobicContact CB-CB 4.31Å; L53-N186 HydrophobicContact CD2-CB 4.37Å; L53-V187 CarbonylContact C-O 3.6Å; L53-V187 WeakPolarHBondContact CA-O 3.31Å; L53-R188 HydrophobicContact CD2-CB 4.09Å
54L98Very high93.5Very high0 Ų042.7 Ų42.70%020%0.202CC..EExtended strand (participates in β ladder)trans-104.2125.2169.5-179.367.1000109.7I56 N186 V187 I189 V198 P235 L236 R239 I251L54-I56 HydrophobicContact CD2-CD1 4.45Å; L54-I56 HydrophobicContact CD2-CG1 4.29Å; L54-I56 HydrophobicContact CG-CG1 4.36Å; L54-N186 CarbonylContact O-C 3.54Å; L54-N186 VanDerWaalsContact O-CA 3.24Å; L54-N186 WeakPolarHBondContact O-CA 3.31Å; L54-V187 HydrophobicContact CB-CG2 4.24Å; L54-V187 PolarHBondContact N-O 3.29Å; L54-V187 PolarHBondContact O-N 3.32Å; L54-I189 HydrophobicContact CB-CD1 3.54Å; L54-I189 HydrophobicContact CB-CG1 3.84Å; L54-I189 HydrophobicContact CD2-CD1 3.43Å; L54-I189 VanDerWaalsContact CD2-CD1 3.43Å; L54-I189 HydrophobicContact CG-CD1 4.07Å; L54-V198 HydrophobicContact CD2-CG1 4.29Å; L54-P235 HydrophobicContact CD2-CB 3.84Å; L54-L236 HydrophobicContact CB-CD1 4.39Å; L54-L236 HydrophobicContact CD1-CD1 4.48Å; L54-R239 HydrophobicContact CD1-CB 3.64Å; L54-R239 HydrophobicContact CD1-CG 3.62Å; L54-I251 HydrophobicContact CD1-CD1 4.05Å; L54-I251 HydrophobicContact CD2-CD1 4.09Å
55N97.8Very high93.5Very high18 Ų1839.4 Ų39.410%0.09619%0.186CC..EExtended strand (participates in β ladder)trans-75.9133.4170-69.9-23.6000110.8V184 T185 E246N55-V184 HydrophobicContact CB-CG1 3.67Å; N55-T185 CarbonylContact C-O 3.59Å; N55-T185 WeakPolarHBondContact CA-O 3.48Å; N55-E246 WeakPolarHBondContact CB-OE1 3.45Å; N55-E246 PolarHBondContact ND2-OE1 3.05Å
56I98.1Very high93.7Very high1 Ų131.2 Ų31.21%0.00515%0.148CC..EExtended strand (participates in β ladder)trans-128.9128.1173.1-57.1175.5000107.3L54 T185 V187 V198 L202 L217 I251 L253L54-I56 HydrophobicContact CD2-CD1 4.45Å; L54-I56 HydrophobicContact CD2-CG1 4.29Å; L54-I56 HydrophobicContact CG-CG1 4.36Å; I56-T185 PolarHBondContact N-O 2.99Å; I56-T185 PolarHBondContact O-N 3.45Å; I56-T185 VanDerWaalsContact O-O 3.12Å; I56-V187 HydrophobicContact CD1-CG2 3.66Å; I56-V187 HydrophobicContact CG1-CG2 4.35Å; I56-V198 HydrophobicContact CD1-CG1 3.99Å; I56-L202 HydrophobicContact CB-CD2 4.29Å; I56-L202 HydrophobicContact CD1-CB 4.48Å; I56-L202 HydrophobicContact CD1-CD2 3.94Å; I56-L202 HydrophobicContact CG2-CD2 3.82Å; I56-L217 HydrophobicContact CG2-CD2 4.19Å; I56-I251 CarbonylContact C-O 3.54Å; I56-I251 WeakPolarHBondContact CA-O 3.43Å; I56-L253 HydrophobicContact CG2-CB 4.13Å
57S97.7Very high93.9Very high0 Ų034.2 Ų34.20%015%0.152CC..EExtended strand (participates in β ladder)trans-91.7140.9179.7-55.80000110.3G59 S183 R250 I251 F252 L253S57-G59 PolarHBondContact O-N 2.92Å; S57-S183 CarbonylContact C-O 3.6Å; S57-S183 VanDerWaalsContact CA-O 3.29Å; S57-S183 WeakPolarHBondContact CA-O 3.37Å; S57-R250 PolarHBondContact OG-NE 2.78Å; S57-R250 VanDerWaalsContact OG-NE 3.16Å; S57-R250 PolarHBondContact OG-NH2 3.29Å; S57-I251 PolarHBondContact N-O 2.92Å; S57-F252 VanDerWaalsContact CB-CD1 3.44Å; S57-F252 VanDerWaalsContact CB-CE1 3.41Å; S57-F252 CarbonylContact O-C 3.46Å; S57-F252 VanDerWaalsContact O-CA 3.24Å; S57-F252 WeakPolarHBondContact O-CA 3.42Å; S57-L253 PolarHBondContact O-N 3.24Å
58W97.1Very high93.6Very high1 Ų131.9 Ų31.90%0.00414%0.142CC..EExtended strand (participates in β ladder)trans-77119.5174.1-6595.8000109.9L60 I64 H168 F177 P179 G182 S183 T185 F206 I208 L253W58-L60 HydrophobicContact CE3-CD1 3.92Å; W58-L60 HydrophobicContact CE3-CG 4.41Å; W58-L60 HydrophobicContact CZ3-CD1 4.05Å; W58-I64 HydrophobicContact CZ3-CD1 4.11Å; W58-H168 AromaticContact CD1-CE1 3.58Å; W58-H168 AromaticContact NE1-CE1 3.57Å; W58-F177 HydrophobicContact CH2-CE1 4.3Å; W58-F177 HydrophobicContact CZ2-CE1 4.44Å; W58-P179 HydrophobicContact CB-CB 3.84Å; W58-P179 HydrophobicContact CB-CG 4.27Å; W58-P179 HydrophobicContact CD2-CB 3.63Å; W58-P179 HydrophobicContact CD2-CG 4.02Å; W58-P179 HydrophobicContact CE3-CB 3.82Å; W58-P179 HydrophobicContact CE3-CG 3.67Å; W58-P179 HydrophobicContact CG-CB 3.65Å; W58-P179 HydrophobicContact CG-CG 4.3Å; W58-P179 HydrophobicContact CZ3-CG 4.33Å; W58-G182 PolarHBondContact O-N 3.39Å; W58-S183 PolarHBondContact N-O 3.08Å; W58-T185 HydrophobicContact CZ2-CG2 4.25Å; W58-F206 HydrophobicContact CH2-CB 4.47Å; W58-F206 HydrophobicContact CH2-CD1 4.46Å; W58-F206 AromaticContact CH2-CD2 3.98Å; W58-F206 HydrophobicContact CH2-CD2 3.98Å; W58-F206 HydrophobicContact CH2-CE2 4.36Å; W58-F206 HydrophobicContact CH2-CG 4.04Å; W58-F206 HydrophobicContact CZ2-CD1 4.05Å; W58-F206 AromaticContact CZ2-CD2 3.72Å; W58-F206 HydrophobicContact CZ2-CD2 3.72Å; W58-F206 AromaticContact CZ2-CE1 3.98Å; W58-F206 HydrophobicContact CZ2-CE1 3.98Å; W58-F206 AromaticContact CZ2-CE2 3.65Å; W58-F206 HydrophobicContact CZ2-CE2 3.65Å; W58-F206 AromaticContact CZ2-CG 3.93Å; W58-F206 HydrophobicContact CZ2-CG 3.93Å; W58-F206 AromaticContact CZ2-CZ 3.78Å; W58-F206 HydrophobicContact CZ2-CZ 3.78Å; W58-I208 HydrophobicContact CH2-CD1 3.95Å; W58-I208 HydrophobicContact CZ3-CD1 4.15Å; W58-L253 HydrophobicContact CE3-CD2 3.78Å; W58-L253 HydrophobicContact CH2-CD2 4.29Å; W58-L253 HydrophobicContact CZ3-CD2 3.44Å; W58-L253 VanDerWaalsContact CZ3-CD2 3.44Å
59G95.5Very high92.2Very high3 Ų339.6 Ų39.63%0.03118%0.178CC..  trans-116.915.7178.400000113.3S57 L253S57-G59 PolarHBondContact O-N 2.92Å; G59-L253 CarbonylContact C-O 3.54Å; G59-L253 WeakPolarHBondContact CA-O 3.3Å; G59-L253 PolarHBondContact N-O 3.3Å
60L93.8Very high90.4Very high10 Ų1044.4 Ų44.45%0.05220%0.203CC..  trans-72.8135.4-177.2-59178.7000110.7W58 I64 P179 F215 L253 E255W58-L60 HydrophobicContact CE3-CD1 3.92Å; W58-L60 HydrophobicContact CE3-CG 4.41Å; W58-L60 HydrophobicContact CZ3-CD1 4.05Å; L60-I64 HydrophobicContact CD1-CD1 3.72Å; L60-I64 HydrophobicContact CD1-CG1 4.17Å; L60-I64 HydrophobicContact CD1-CG2 3.71Å; L60-P179 HydrophobicContact CB-CG 4.17Å; L60-P179 HydrophobicContact CD1-CG 3.89Å; L60-P179 HydrophobicContact CG-CG 4.41Å; L60-F215 HydrophobicContact CD1-CE1 4.16Å; L60-F215 HydrophobicContact CD2-CD1 3.73Å; L60-F215 HydrophobicContact CD2-CE1 3.78Å; L60-L253 HydrophobicContact CD1-CD2 4.36Å; L60-L253 HydrophobicContact CD2-CG 4.46Å; L60-E255 WeakPolarHBondContact CA-OE2 3.36Å; L60-E255 HydrophobicContact CD2-CG 3.89Å
61R89.6Confident88.2Confident171 Ų17150.2 Ų50.265%0.64523%0.234SC*.SBendtrans-98.9-21.1174.2-66.7-176.5172.8175.5-3.4112E255 L258R61-E255 PolarHBondContact N-OE1 2.89Å; R61-E255 PolarHBondContact N-OE2 3.26Å; R61-L258 HydrophobicContact CB-CD1 4.37Å
62R88.9Confident85.9Confident110 Ų11055.3 Ų55.342%0.41526%0.258SS..SBendtrans-107.9146.2177.6-62.3-176.7-63.6-151.6-0.9110.9E255 D257R62-E255 WeakPolarHBondContact CB-OE1 3.39Å; R62-E255 PolarHBondContact N-OE1 3.13Å; R62-E255 IonicContact NE-OE1 2.78Å; R62-D257 IonicContact CZ-OD1 2.75Å; R62-D257 IonicContact CZ-OD2 3.19Å; R62-D257 VanDerWaalsContact CZ-OD2 3.26Å; R62-D257 IonicContact NH1-OD1 3.22Å; R62-D257 IonicContact NH1-OD2 3.52Å; R62-D257 PolarHBondContact NH1-OD2 2.88Å; R62-D257 IonicContact NH2-OD1 3.26Å; R62-D257 PolarHBondContact NH2-OD1 2.95Å; R62-D257 IonicContact NH2-OD2 2.62Å; R62-D257 PolarHBondContact NH2-OD2 3.49Å
63P90Very high83.4Confident8 Ų863.9 Ų63.95%0.05230%0.298CS..  trans-60.4149.8168.2-26.539000111.3S131 V176 T178P63-S131 VanDerWaalsContact CD-O 3.27Å; P63-S131 WeakPolarHBondContact CD-O 3.32Å; P63-S131 VanDerWaalsContact CG-O 3.26Å; P63-S131 WeakPolarHBondContact CG-O 3.49Å; P63-V176 HydrophobicContact CB-CG1 3.62Å; P63-T178 WeakPolarHBondContact CB-OG1 3.47Å; P63-T178 HydrophobicContact CG-CG2 4.31Å; P63-T178 WeakPolarHBondContact CG-OG1 3.46Å
64I91.9Very high80.8Confident5 Ų572.4 Ų72.43%0.02633%0.328CS..EExtended strand (participates in β ladder)trans-119.6169.417853.7168.3000110.6W58 L60 F177 I208 F215W58-I64 HydrophobicContact CZ3-CD1 4.11Å; L60-I64 HydrophobicContact CD1-CD1 3.72Å; L60-I64 HydrophobicContact CD1-CG1 4.17Å; L60-I64 HydrophobicContact CD1-CG2 3.71Å; I64-F177 HydrophobicContact CD1-CD1 3.8Å; I64-F177 HydrophobicContact CD1-CE1 4.37Å; I64-F177 HydrophobicContact CG1-CB 4.34Å; I64-F177 HydrophobicContact CG1-CD1 3.78Å; I64-F177 WeakPolarHBondContact CG1-O 3.42Å; I64-F177 PolarHBondContact N-O 2.78Å; I64-F177 PolarHBondContact O-N 3.35Å; I64-I208 HydrophobicContact CD1-CD1 3.49Å; I64-I208 VanDerWaalsContact CD1-CD1 3.49Å; I64-I208 HydrophobicContact CD1-CG1 3.9Å; I64-I208 HydrophobicContact CD1-CG2 4.42Å; I64-F215 HydrophobicContact CG2-CE1 3.74Å; I64-F215 HydrophobicContact CG2-CZ 3.71Å
65R89.9Confident78.2Confident22 Ų2280 Ų808%0.08337%0.366CS..EExtended strand (participates in β ladder)trans-105.4138.3177.9-68.7-171.8-176.2-82.26.1112.2L134 L135 R136 T174 A175 I208 E209 N210R65-L134 HydrophobicContact CG-CB 4.46Å; R65-L134 HydrophobicContact CG-CD1 3.6Å; R65-L134 PolarHBondContact NH2-O 3.5Å; R65-L135 PolarHBondContact NH2-O 3.28Å; R65-R136 VanDerWaalsContact NH2-N 3.12Å; R65-T174 PolarHBondContact NH1-O 2.95Å; R65-A175 WeakPolarHBondContact CA-O 3.46Å; R65-I208 WeakPolarHBondContact O-CA 3.48Å; R65-E209 HydrophobicContact CB-CB 4.04Å; R65-E209 WeakPolarHBondContact CD-OE2 3.21Å; R65-E209 PolarHBondContact O-N 3.47Å; R65-N210 PolarHBondContact N-OD1 2.76Å
66L90.7Very high75.5Confident26 Ų2689.8 Ų89.814%0.13640%0.402CS..BIsolated β-bridgetrans-92.1151.6163.6-48.7-170.4000109.9M68 Y170 A175 F177 F206 K207 I208L66-M68 PolarHBondContact O-N 3.47Å; L66-Y170 HydrophobicContact CB-CE2 4.45Å; L66-Y170 HydrophobicContact CD1-CD2 3.81Å; L66-Y170 HydrophobicContact CD1-CE2 3.63Å; L66-Y170 HydrophobicContact CG-CD2 4.5Å; L66-Y170 HydrophobicContact CG-CE2 4.19Å; L66-A175 PolarHBondContact N-O 3.31Å; L66-A175 VanDerWaalsContact O-CB 3.32Å; L66-A175 WeakPolarHBondContact O-CB 3.34Å; L66-F177 HydrophobicContact CD1-CB 4Å; L66-F177 HydrophobicContact CD1-CD2 4.35Å; L66-F177 HydrophobicContact CD1-CG 4.27Å; L66-F177 HydrophobicContact CD2-CB 3.73Å; L66-F177 HydrophobicContact CD2-CD1 4.19Å; L66-F177 HydrophobicContact CD2-CG 4.03Å; L66-F177 HydrophobicContact CG-CB 3.67Å; L66-F177 HydrophobicContact CG-CG 4.3Å; L66-F206 WeakPolarHBondContact CD2-O 2.94Å; L66-K207 CarbonylContact C-O 3.5Å; L66-K207 VanDerWaalsContact CA-O 3.3Å; L66-K207 WeakPolarHBondContact CA-O 3.41Å; L66-I208 HydrophobicContact CD2-CG1 4.02Å
67Q87.6Confident72.9Confident103 Ų10394.8 Ų94.848%0.48144%0.435SS..PPolyproline II helixtrans-61.3125169-68.7176.7-7.300107.9Q69 K207 E209Q67-Q69 PolarHBondContact O-N 3.06Å; Q67-K207 HydrophobicContact CB-CB 4.31Å; Q67-K207 WeakPolarHBondContact CG-O 3.32Å; Q67-K207 PolarHBondContact N-O 3.36Å; Q67-E209 HydrophobicContact CG-CB 4.09Å
68M80Confident70.2Confident74 Ų7499.5 Ų99.537%0.36547%0.465SS..PPolyproline II helixtrans-68.6124.5170.4-70.2-174.273.500107.5L66 D70 A175L66-M68 PolarHBondContact O-N 3.47Å; M68-D70 VanDerWaalsContact C-N 3.28Å; M68-D70 PolarHBondContact O-N 3.28Å; M68-A175 HydrophobicContact CG-CB 3.63Å
69Q64.8Low67.5Low179 Ų179105.7 Ų105.784%0.83651%0.505SS*.  trans-73.397.6165.4-143.11571.200105.4Q67 D71Q67-Q69 PolarHBondContact O-N 3.06Å; Q69-D71 PolarHBondContact O-N 3.33Å
70D57.3Low64.8Low113 Ų113110.8 Ų110.860%0.60454%0.541SS*.  trans-64.5105.9170.6-105-4.2000106.1M68 H72M68-D70 VanDerWaalsContact C-N 3.28Å; M68-D70 PolarHBondContact O-N 3.28Å; D70-H72 WeakPolarHBondContact CB-ND1 3.46Å; D70-H72 PolarHBondContact O-N 3.27Å; D70-H72 IonicContact OD2-CE1 3.4Å; D70-H72 PolarHBondContact OD2-CE1 3.39Å; D70-H72 IonicContact OD2-ND1 3.01Å
71D50.3Low62.1Low126 Ų126115 Ų11567%0.67457%0.571SS**  trans-64.559.4166.9-72.4-28.1000109.6Q69 E73 R74Q69-D71 PolarHBondContact O-N 3.33Å; D71-E73 PolarHBondContact O-N 3.42Å; D71-R74 PolarHBondContact O-N 3.33Å; D71-R74 VanDerWaalsContact O-N 3.08Å
72H49.8Very low59.5Low157 Ų157113.1 Ų113.173%0.72758%0.579SS**  trans-76.71.9165.7-78.659.9000111.6D70 R74D70-H72 WeakPolarHBondContact CB-ND1 3.46Å; D70-H72 PolarHBondContact O-N 3.27Å; D70-H72 IonicContact OD2-CE1 3.4Å; D70-H72 PolarHBondContact OD2-CE1 3.39Å; D70-H72 IonicContact OD2-ND1 3.01Å; H72-R74 VanDerWaalsContact C-N 3.34Å
73E44.9Very low57.1Low180 Ų180113 Ų11384%0.84160%0.595SS**  trans-100.259.4150.3-64.1-171.8-175.900109.2D71 I75D71-E73 PolarHBondContact O-N 3.42Å; E73-I75 VanDerWaalsContact C-N 3.34Å; E73-I75 PolarHBondContact O-N 3.49Å
74R42.8Very low54.7Low213 Ų213124.3 Ų124.380%0.80464%0.637SS**  trans-48.7114.1147.7-80.5-170.8-168106.25.6105.2D71 H72 R76D71-R74 PolarHBondContact O-N 3.33Å; D71-R74 VanDerWaalsContact O-N 3.08Å; H72-R74 VanDerWaalsContact C-N 3.34Å; R74-R76 PolarHBondContact O-N 3.46Å
75I44Very low51.8Low159 Ų159132.5 Ų132.582%0.81567%0.674SS**  trans-37.199.6150.5-63.1163.3000105E73 P77E73-I75 VanDerWaalsContact C-N 3.34Å; E73-I75 PolarHBondContact O-N 3.49Å; I75-P77 WeakPolarHBondContact O-CD 3.3Å
76R41.3Very low49Very low224 Ų224137 Ų13785%0.84571%0.709SS**  trans-66.8112.9167.7-72.7-175.1-175.8177.62.1102.4R74R74-R76 PolarHBondContact O-N 3.46Å
77P44Very low46Very low106 Ų106139 Ų13969%0.68874%0.736SS**  trans-53.4134.415824.7-30.4000105.8I75I75-P77 WeakPolarHBondContact O-CD 3.3Å
78P39.7Very low43.2Very low100 Ų100140.2 Ų140.265%0.64975%0.754SS**  trans-55.1146.8179.423.5-31.4000108.5S80P78-S80 PolarHBondContact O-N 2.99Å
79P40.9Very low40.8Very low130 Ų130141.1 Ų141.184%0.84477%0.774SS**  trans-73.686178.931.8-31000107.6S81P79-S81 PolarHBondContact O-N 3.31Å
80S38Very low39Very low111 Ų111139.7 Ų139.778%0.77677%0.771SS**  trans-85.2103.1166.3-62.60000107.6P78P78-S80 PolarHBondContact O-N 2.99Å
81S37.3Very low37.5Very low98 Ų98140.4 Ų140.469%0.68578%0.775SS**  trans-47.2147.1172-57.70000113.4P79P79-S81 PolarHBondContact O-N 3.31Å
82T36.2Very low36.4Very low131 Ų131140.7 Ų140.780%0.80478%0.776SS**  trans77.6122.814241.70000121.5
83S38.3Very low35.5Very low107 Ų107141.7 Ų141.775%0.74878%0.781SS**  trans72.690.3142.873.80000119.6H85S83-H85 PolarHBondContact O-N 2.86Å
84W39.8Very low34.7Very low247 Ų247138 Ų13894%0.93678%0.775SS**  trans-65.3112.5134.8-69.976.9000108.1
85H31.2Very low33.9Very low177 Ų177134.8 Ų134.882%0.81977%0.774SS**  trans-176.8125.3142-94.3-63.8000110.8S83S83-H85 PolarHBondContact O-N 2.86Å
86S31.1Very low33.1Very low117 Ų117135.5 Ų135.582%0.81877%0.774SS**  trans75120.1142-550000121.2
87G27.1Very low32.5Very low67 Ų67128.1 Ų128.169%0.69177%0.767SS**  113.210912600000118.8
88C29.5Very low31.8Very low129 Ų129129.9 Ų129.987%0.87278%0.776SS**  trans71105.7137.7-52.60000121.3
89A28.2Very low31.3Very low93 Ų93133.4 Ų133.477%0.76978%0.784SS**  70.3136.5114.400000123.6
90L27.8Very low30.7Very low148 Ų148136.5 Ų136.578%0.77579%0.788SS**  trans99.5104.4151.4-67.9159.8000119.8
91D26Very low30.2Very low129 Ų129137.4 Ų137.469%0.6979%0.789SS**  78128.2120.9-70.13.4000124.1
92N27.8Very low29.8Very low132 Ų132140.6 Ų140.671%0.70680%0.797SS**  trans62.3107.6136.5-77.5-3000119.6
93Q29.4Very low29.6Very low178 Ų178140 Ų14083%0.83280%0.795SS**  173.3133.692.9-108.5163.353.200112.2
94S27.7Very low29Very low102 Ų102141.2 Ų141.271%0.71379%0.794SS**  trans-9.4135150.454.70000120.5
95N27.6Very low28.6Very low146 Ų146136.7 Ų136.778%0.78179%0.786SS**  106.7136.9125.9-131.623000120.1
96E27.5Very low28.6Very low173 Ų173136 Ų13681%0.80878%0.783SS**  trans80.298.5161.3-50-155.3160.900119
97G27.9Very low28.5Very low69 Ų69136.8 Ų136.871%0.71178%0.783SS**  trans-138.6101.3163.800000110.4Q99G97-Q99 PolarHBondContact O-N 3.19Å
98T28.4Very low28.6Very low143 Ų143139.9 Ų139.988%0.87779%0.788SS**  trans-61.1114.2174.1-33.10000109.8
99Q29.5Very low28.5Very low175 Ų175142.4 Ų142.482%0.81879%0.787SS**  trans-84.1115.8173.9-71.4177.9-1.100109.7G97G97-Q99 PolarHBondContact O-N 3.19Å
100Q29.1Very low28.5Very low195 Ų195146.7 Ų146.791%0.91179%0.791SS**  trans-85.1115.1161.5-77.3-178.9-19.700108.7
101T28.2Very low28.7Very low130 Ų130148 Ų14880%0.79879%0.793SS**PPolyproline II helixtrans-83.2134.717640.40000110.9
102L28.9Very low28.8Very low165 Ų165147.1 Ų147.186%0.86480%0.797SS**PPolyproline II helixtrans-83.4146.5161.8-79.7142.9000108.9
103P30.3Very low29.1Very low118 Ų118149.7 Ų149.777%0.76681%0.805SS**PPolyproline II helixtrans-74.9137.1-167.528.5-32.7000113.2
104N26.1Very low29.2Very low133 Ų133144.7 Ų144.771%0.71179%0.789SS**PPolyproline II helixtrans-76.7125.2171.1-166.329.7000109
105I32.1Very low29.7Very low151 Ų151148.1 Ų148.177%0.77479%0.794SS**  trans-111.5106.3167.4-66.2172.9000106.7
106E29.9Very low29.8Very low164 Ų164147.8 Ų147.877%0.76679%0.793SS**  trans-71.2120.8176.1-63.9174.4139.600109.3
107V30.5Very low30.3Very low133 Ų133143 Ų14381%0.80678%0.778SS**  trans-90.9109.7169.8178.70000107.3E109V107-E109 PolarHBondContact O-N 2.99Å
108T28.1Very low30.9Very low131 Ų131145 Ų14580%0.80477%0.771SS**  trans-67.6123.8173.4-34.30000109.4
109E28.3Very low31.2Very low182 Ų182142.3 Ų142.385%0.8576%0.755SS**  trans-66.7134.8173.8-68.2178.4157.200110.4V107V107-E109 PolarHBondContact O-N 2.99Å
110H28.3Very low31.7Very low184 Ų184140.8 Ų140.885%0.85275%0.745SS**  trans-118.1109.6165.6-146.1-66.1000107.5
111E30.7Very low32.6Very low174 Ų174133.6 Ų133.681%0.81372%0.719SS**  trans-62.8131.5175-68.3-174.4150.300110.3
112S29Very low33.3Very low111 Ų111130.7 Ų130.778%0.77670%0.699SS**  trans-132.6107.1161.558.60000109.1
113Q33.3Very low34.1Very low187 Ų187129.4 Ų129.487%0.87469%0.689SS**  trans-61.6127166.5-65172.1-16.700110.1
114S32.8Very low35.2Very low72 Ų72130.5 Ų130.550%0.50368%0.683SS.*  trans-172.998.7146.455.60000109.6D116 S117S114-D116 PolarHBondContact O-N 3.3Å; S114-S117 PolarHBondContact O-N 3.06Å; S114-S117 PolarHBondContact OG-OG 3.46Å
115E36.4Very low36.5Very low175 Ų175126.4 Ų126.482%0.81866%0.66SS**THydrogen-bonded Turntrans-66.3-10.6178.1-65.1-175.3151.600113.2S117E115-S117 VanDerWaalsContact C-N 3.29Å; E115-S117 PolarHBondContact O-N 2.62Å
116D30.4Very low37.4Very low139 Ų139124.9 Ų124.974%0.74365%0.65SS**Hα-helixtrans-76.8-11.7177.6-126.810.1000113.7S114S114-D116 PolarHBondContact O-N 3.3Å
117S39.1Very low38.4Very low73 Ų73124.2 Ų124.251%0.5165%0.647SS.*Hα-helixtrans-84.3-19.2178.5-64.40000113.7S114 E115 A121S114-S117 PolarHBondContact O-N 3.06Å; S114-S117 PolarHBondContact OG-OG 3.46Å; E115-S117 VanDerWaalsContact C-N 3.29Å; E115-S117 PolarHBondContact O-N 2.62Å; S117-A121 WeakPolarHBondContact O-CB 3.34Å; S117-A121 PolarHBondContact O-N 3.22Å
118I38.8Very low39.4Very low109 Ų109119.4 Ų119.456%0.55961%0.614SS**Hα-helixtrans-75-39.4-173.3-65.9171.1000110.9A121 D122I118-A121 PolarHBondContact O-N 3.27Å; I118-D122 PolarHBondContact O-N 2.85Å; I118-D122 VanDerWaalsContact O-N 3.12Å
119V35.5Very low40.7Very low88 Ų88115.2 Ų115.253%0.53359%0.585SS.*Hα-helixtrans-68.9-38.7-177.4-117.60000112.4E123V119-E123 PolarHBondContact O-N 3.4Å
120K40.2Very low41.8Very low142 Ų142115.4 Ų115.462%0.61758%0.578SS**Hα-helixtrans-68.9-36.1174.7-73.1-134.9177.2-170.80112.9E124K120-E124 WeakPolarHBondContact O-CB 3.46Å; K120-E124 WeakPolarHBondContact O-CG 3.35Å; K120-E124 PolarHBondContact O-N 3.03Å; K120-E124 VanDerWaalsContact O-N 3.09Å
121A47.4Very low42.8Very low44 Ų44109 Ų10936%0.36455%0.554SS.*Hα-helixtrans-67-39.517800000112.1S117 I118 E125S117-A121 WeakPolarHBondContact O-CB 3.34Å; S117-A121 PolarHBondContact O-N 3.22Å; I118-A121 PolarHBondContact O-N 3.27Å; A121-E125 VanDerWaalsContact O-CB 3.24Å; A121-E125 WeakPolarHBondContact O-CB 3.43Å; A121-E125 WeakPolarHBondContact O-CG 3.46Å; A121-E125 PolarHBondContact O-N 2.93Å
122D44.3Very low43.9Very low69 Ų69102 Ų10237%0.36953%0.526SS..Hα-helixtrans-70.4-38.2177.7-85.6-34.1000112.3I118 E125 E126 R159I118-D122 PolarHBondContact O-N 2.85Å; I118-D122 VanDerWaalsContact O-N 3.12Å; D122-E125 PolarHBondContact O-N 3.08Å; D122-E126 WeakPolarHBondContact O-CG 3.41Å; D122-E126 PolarHBondContact O-N 3.25Å; D122-R159 IonicContact OD1-CZ 3.37Å; D122-R159 IonicContact OD1-NH2 2.94Å; D122-R159 PolarHBondContact OD1-NH2 3.02Å
123E45.4Very low45.4Very low139 Ų139100.2 Ų100.265%0.6551%0.505SS*.Hα-helixtrans-66-43.7175.6-73.4-177.6175.100112.6V119 E125 E126 E127V119-E123 PolarHBondContact O-N 3.4Å; E123-E125 VanDerWaalsContact C-N 3.28Å; E123-E125 PolarHBondContact O-N 3.29Å; E123-E126 PolarHBondContact O-N 2.89Å; E123-E127 PolarHBondContact O-N 3.32Å
124E52.5Low46.9Very low140 Ų14094.1 Ų94.165%0.65448%0.478SS*.Hα-helixtrans-65.6-31.8173.9-71.9178.3-170.300111.8K120 Y128K120-E124 WeakPolarHBondContact O-CB 3.46Å; K120-E124 WeakPolarHBondContact O-CG 3.35Å; K120-E124 PolarHBondContact O-N 3.03Å; K120-E124 VanDerWaalsContact O-N 3.09Å; E124-Y128 WeakPolarHBondContact O-CB 3.28Å; E124-Y128 PolarHBondContact O-N 2.86Å; E124-Y128 VanDerWaalsContact O-N 3.15Å
125E53.6Low48.3Very low48 Ų4894.9 Ų94.922%0.22448%0.476CS..Hα-helixtrans-71-35175.3-83.9-168-17800113.8A121 D122 E123 Y128 E129 R159 R162A121-E125 VanDerWaalsContact O-CB 3.24Å; A121-E125 WeakPolarHBondContact O-CB 3.43Å; A121-E125 WeakPolarHBondContact O-CG 3.46Å; A121-E125 PolarHBondContact O-N 2.93Å; D122-E125 PolarHBondContact O-N 3.08Å; E123-E125 VanDerWaalsContact C-N 3.28Å; E123-E125 PolarHBondContact O-N 3.29Å; E125-Y128 WeakPolarHBondContact O-CB 3.43Å; E125-Y128 PolarHBondContact O-N 2.82Å; E125-E129 PolarHBondContact O-N 3.34Å; E125-R159 IonicContact OE2-CZ 2.65Å; E125-R159 IonicContact OE2-NE 2.9Å; E125-R159 PolarHBondContact OE2-NE 2.84Å; E125-R159 IonicContact OE2-NH2 3.91Å; E125-R159 PolarHBondContact OE2-NH2 3.02Å; E125-R162 VanDerWaalsContact CD-NH2 3.31Å; E125-R162 IonicContact OE1-CZ 3.46Å; E125-R162 IonicContact OE1-NH2 2.86Å; E125-R162 PolarHBondContact OE1-NH2 3.22Å
126E50.8Low49.7Very low119 Ų11990.9 Ų90.956%0.55645%0.454SS*.Hα-helixtrans-72.7-40.5178.7-75.7-163.8-177.800112.9D122 E123 Y128 E129 R130D122-E126 WeakPolarHBondContact O-CG 3.41Å; D122-E126 PolarHBondContact O-N 3.25Å; E123-E126 PolarHBondContact O-N 2.89Å; E126-Y128 VanDerWaalsContact C-N 3.28Å; E126-E129 PolarHBondContact O-N 3.23Å; E126-R130 PolarHBondContact O-N 3.26Å
127E51.3Low51.2Low150 Ų15087.6 Ų87.670%0.70144%0.439SS*.Hα-helixtrans-67-34.1173.3-168.3172.2-17400111.2E123 R130 S131E123-E127 PolarHBondContact O-N 3.32Å; E127-R130 PolarHBondContact O-N 3.42Å; E127-S131 PolarHBondContact O-N 3.42Å; E127-S131 PolarHBondContact O-OG 3.43Å
128Y52Low52Low31 Ų3193.8 Ų93.812%0.12246%0.456CS..Hα-helixtrans-64.4-39.4172.2176.8-83.9000113.2E124 E125 E126 R130 S131 A132 R162 F169 T178E124-Y128 WeakPolarHBondContact O-CB 3.28Å; E124-Y128 PolarHBondContact O-N 2.86Å; E124-Y128 VanDerWaalsContact O-N 3.15Å; E125-Y128 WeakPolarHBondContact O-CB 3.43Å; E125-Y128 PolarHBondContact O-N 2.82Å; E126-Y128 VanDerWaalsContact C-N 3.28Å; Y128-R130 PolarHBondContact O-N 3.27Å; Y128-S131 VanDerWaalsContact CA-OG 3.3Å; Y128-S131 WeakPolarHBondContact CA-OG 3.45Å; Y128-S131 PolarHBondContact O-N 3.15Å; Y128-S131 PolarHBondContact O-OG 3.49Å; Y128-A132 HydrophobicContact CE1-CB 4.31Å; Y128-A132 WeakPolarHBondContact O-CB 3.39Å; Y128-A132 PolarHBondContact O-N 3.46Å; Y128-R162 VanDerWaalsContact CD1-NH1 3.31Å; Y128-F169 HydrophobicContact CE2-CB 3.91Å; Y128-F169 HydrophobicContact CE2-CD2 4.12Å; Y128-F169 HydrophobicContact CE2-CG 4.11Å; Y128-F169 VanDerWaalsContact OH-CB 3.28Å; Y128-F169 WeakPolarHBondContact OH-CB 3.41Å; Y128-T178 HydrophobicContact CD2-CG2 4.2Å; Y128-T178 HydrophobicContact CE2-CG2 3.77Å; Y128-T178 WeakPolarHBondContact CE2-OG1 3.39Å
129E54Low52.9Low44 Ų4493.1 Ų93.121%0.20646%0.462CS..Hα-helixtrans-68.4-25.3-178.7-137.4-175.7166.700112.8E125 E126 Q133 R150E125-E129 PolarHBondContact O-N 3.34Å; E126-E129 PolarHBondContact O-N 3.23Å; E129-Q133 PolarHBondContact O-NE2 3.38Å; E129-R150 IonicContact OE1-NH1 3.72Å; E129-R150 PolarHBondContact OE1-NH1 3.42Å
130R52Low53.7Low186 Ų18691.2 Ų91.270%0.70245%0.448SS*.Hα-helixtrans-75.5-36.9172.6-65.2178.4-166.5169.37.8112.1E126 E127 Y128E126-R130 PolarHBondContact O-N 3.26Å; E127-R130 PolarHBondContact O-N 3.42Å; Y128-R130 PolarHBondContact O-N 3.27Å
131S49.5Very low54.1Low49 Ų4986.7 Ų86.734%0.34344%0.437SS..Hα-helixtrans-82.9-23.9-176.946.80000113.6P63 E127 Y128 Q133P63-S131 VanDerWaalsContact CD-O 3.27Å; P63-S131 WeakPolarHBondContact CD-O 3.32Å; P63-S131 VanDerWaalsContact CG-O 3.26Å; P63-S131 WeakPolarHBondContact CG-O 3.49Å; E127-S131 PolarHBondContact O-N 3.42Å; E127-S131 PolarHBondContact O-OG 3.43Å; Y128-S131 VanDerWaalsContact CA-OG 3.3Å; Y128-S131 WeakPolarHBondContact CA-OG 3.45Å; Y128-S131 PolarHBondContact O-N 3.15Å; Y128-S131 PolarHBondContact O-OG 3.49Å; S131-Q133 PolarHBondContact O-N 3.15Å; S131-Q133 VanDerWaalsContact O-N 3.1Å
132A53.3Low54.3Low26 Ų2687 Ų8722%0.21545%0.445CS..THydrogen-bonded Turntrans-71.84179.100000115.7Y128 L134 V176Y128-A132 HydrophobicContact CE1-CB 4.31Å; Y128-A132 WeakPolarHBondContact O-CB 3.39Å; Y128-A132 PolarHBondContact O-N 3.46Å; A132-L134 PolarHBondContact O-N 3.2Å; A132-L134 VanDerWaalsContact O-N 3.13Å; A132-V176 HydrophobicContact CB-CG1 4.35Å
133Q61Low54.5Low75 Ų7589.5 Ų89.535%0.3545%0.453SS..  trans-87.381.1-174.8-68.7176.822.800111.9E129 S131 L144 A147E129-Q133 PolarHBondContact O-NE2 3.38Å; S131-Q133 PolarHBondContact O-N 3.15Å; S131-Q133 VanDerWaalsContact O-N 3.1Å; Q133-L144 HydrophobicContact CB-CD2 3.85Å; Q133-L144 HydrophobicContact CG-CD2 4.19Å; Q133-A147 VanDerWaalsContact NE2-CB 3.32Å
134L64.3Low54.6Low58 Ų5886 Ų8630%0.30444%0.438SS..  trans-99.7130.9166.8-55.9177.9000108.7R65 A132 V176R65-L134 HydrophobicContact CG-CB 4.46Å; R65-L134 HydrophobicContact CG-CD1 3.6Å; R65-L134 PolarHBondContact NH2-O 3.5Å; A132-L134 PolarHBondContact O-N 3.2Å; A132-L134 VanDerWaalsContact O-N 3.13Å; L134-V176 HydrophobicContact CB-CG2 4.5Å; L134-V176 HydrophobicContact CD1-CG2 4.42Å
135L62.6Low54.4Low88 Ų8890.3 Ų90.346%0.46145%0.449SS..  trans-86.2126.6173.3-65.4179.8000112.8R65 D140 L144R65-L135 PolarHBondContact NH2-O 3.28Å; L135-D140 HydrophobicContact CB-CB 4.45Å; L135-D140 HydrophobicContact CD2-CB 3.51Å; L135-D140 WeakPolarHBondContact CD2-O 3.34Å; L135-L144 HydrophobicContact CD1-CD1 3.61Å; L135-L144 HydrophobicContact CD2-CD1 3.63Å; L135-L144 HydrophobicContact CD2-CD2 4.47Å; L135-L144 HydrophobicContact CD2-CG 3.77Å; L135-L144 HydrophobicContact CG-CD1 3.79Å; L135-L144 HydrophobicContact CG-CG 4.39Å
136R66.2Low54.1Low92 Ų9294.6 Ų94.635%0.34747%0.467SS..  trans-107.1-36.2179.9-166.7179.1-177.794.47.8111.3R65 D140 E209R65-R136 VanDerWaalsContact NH2-N 3.12Å; R136-D140 WeakPolarHBondContact CA-OD2 3.43Å; R136-D140 WeakPolarHBondContact CB-OD2 3.37Å; R136-D140 PolarHBondContact N-OD2 3.31Å; R136-E209 IonicContact CZ-OE1 3.74Å; R136-E209 IonicContact CZ-OE2 2.74Å; R136-E209 VanDerWaalsContact NH1-CD 3.31Å; R136-E209 IonicContact NH1-OE1 3.89Å; R136-E209 PolarHBondContact NH1-OE1 2.83Å; R136-E209 IonicContact NH1-OE2 2.86Å; R136-E209 PolarHBondContact NH1-OE2 2.87Å; R136-E209 IonicContact NH2-OE1 2.67Å; R136-E209 PolarHBondContact NH2-OE1 2.77Å; R136-E209 IonicContact NH2-OE2 3.04Å
137T60.7Low54.1Low69 Ų6989.9 Ų89.942%0.42345%0.448SS..SBendtrans-131.8163.2179.962.70000111.6S139 D140T137-S139 WeakPolarHBondContact CB-OG 3.37Å; T137-S139 PolarHBondContact O-N 2.9Å; T137-S139 PolarHBondContact OG1-OG 3.37Å; T137-D140 PolarHBondContact N-OD2 2.9Å; T137-D140 WeakPolarHBondContact O-CB 3.39Å; T137-D140 PolarHBondContact O-N 3.48Å; T137-D140 PolarHBondContact OG1-OD2 2.91Å
138K55.9Low54.1Low204 Ų20491.8 Ų91.889%0.88746%0.457SS*.G310 helixtrans-61.2-23.4174.9-65.4-162177.6-176.30112.8D140 A141K138-D140 VanDerWaalsContact C-N 3.29Å; K138-D140 PolarHBondContact O-N 3.44Å; K138-A141 WeakPolarHBondContact O-CB 3.44Å; K138-A141 PolarHBondContact O-N 3.44Å
139S57.9Low54.1Low95 Ų95101 Ų10166%0.66449%0.491SS*.G310 helixtrans-65.5-26.9170.514.90000113.4T137 A141 G142T137-S139 WeakPolarHBondContact CB-OG 3.37Å; T137-S139 PolarHBondContact O-N 2.9Å; T137-S139 PolarHBondContact OG1-OG 3.37Å; S139-A141 VanDerWaalsContact C-N 3.3Å; S139-A141 PolarHBondContact O-N 2.95Å; S139-G142 PolarHBondContact O-N 3.31Å
140D52.7Low54.4Low48 Ų48101.1 Ų101.126%0.25749%0.49SS..G310 helixtrans-75.8-20.1177.1-60-28.8000112.1L135 R136 T137 K138 G142 F143 L144L135-D140 HydrophobicContact CB-CB 4.45Å; L135-D140 HydrophobicContact CD2-CB 3.51Å; L135-D140 WeakPolarHBondContact CD2-O 3.34Å; R136-D140 WeakPolarHBondContact CA-OD2 3.43Å; R136-D140 WeakPolarHBondContact CB-OD2 3.37Å; R136-D140 PolarHBondContact N-OD2 3.31Å; T137-D140 PolarHBondContact N-OD2 2.9Å; T137-D140 WeakPolarHBondContact O-CB 3.39Å; T137-D140 PolarHBondContact O-N 3.48Å; T137-D140 PolarHBondContact OG1-OD2 2.91Å; K138-D140 VanDerWaalsContact C-N 3.29Å; K138-D140 PolarHBondContact O-N 3.44Å; D140-G142 PolarHBondContact O-N 2.99Å; D140-F143 WeakPolarHBondContact O-CA 3.47Å; D140-F143 WeakPolarHBondContact O-CB 3.17Å; D140-F143 PolarHBondContact O-N 3.23Å; D140-L144 PolarHBondContact O-N 3.41Å
141A49.2Very low54.8Low46 Ų4694.3 Ų94.338%0.3847%0.47SS..Hα-helixtrans-64.9-28.1176.600000112K138 S139 F143K138-A141 WeakPolarHBondContact O-CB 3.44Å; K138-A141 PolarHBondContact O-N 3.44Å; S139-A141 VanDerWaalsContact C-N 3.3Å; S139-A141 PolarHBondContact O-N 2.95Å; A141-F143 VanDerWaalsContact C-N 3.25Å; A141-F143 PolarHBondContact O-N 2.98Å
142G51.5Low55.5Low52 Ų5296.3 Ų96.354%0.53648%0.482SS..Hα-helixtrans-70.2-21.2170.300000113.5S139 D140S139-G142 PolarHBondContact O-N 3.31Å; D140-G142 PolarHBondContact O-N 2.99Å
143F48.1Very low55.8Low120 Ų12098.3 Ų98.353%0.52650%0.495SS..Hα-helixtrans-75.6-33.7178.6-128.8-95.5000112.1D140 A141 K146 A147D140-F143 WeakPolarHBondContact O-CA 3.47Å; D140-F143 WeakPolarHBondContact O-CB 3.17Å; D140-F143 PolarHBondContact O-N 3.23Å; A141-F143 VanDerWaalsContact C-N 3.25Å; A141-F143 PolarHBondContact O-N 2.98Å; F143-K146 PolarHBondContact O-N 2.83Å; F143-A147 PolarHBondContact O-N 3.06Å
144L46.7Very low55.9Low66 Ų6697.3 Ų97.335%0.34649%0.492SS..Hα-helixtrans-64.7-41.9177.1-70.5176.1000112.7Q133 L135 D140 K146 A147Q133-L144 HydrophobicContact CB-CD2 3.85Å; Q133-L144 HydrophobicContact CG-CD2 4.19Å; L135-L144 HydrophobicContact CD1-CD1 3.61Å; L135-L144 HydrophobicContact CD2-CD1 3.63Å; L135-L144 HydrophobicContact CD2-CD2 4.47Å; L135-L144 HydrophobicContact CD2-CG 3.77Å; L135-L144 HydrophobicContact CG-CD1 3.79Å; L135-L144 HydrophobicContact CG-CG 4.39Å; D140-L144 PolarHBondContact O-N 3.41Å; L144-K146 PolarHBondContact O-N 3.09Å; L144-A147 PolarHBondContact O-N 2.86Å
145R48.2Very low55.9Low231 Ų23198 Ų9887%0.87249%0.493SS*.Hα-helixtrans-66.1-18.9177.2-67.3-168.8-173-174.32.6113.3
146K48.7Very low56.1Low138 Ų138102 Ų10260%0.650%0.502SS*.Hα-helixtrans-102.8-12.4-178.7-142.4177.6-176-177.40113.4F143 L144 Q148 R149 R150F143-K146 PolarHBondContact O-N 2.83Å; L144-K146 PolarHBondContact O-N 3.09Å; K146-Q148 VanDerWaalsContact C-N 3.29Å; K146-Q148 PolarHBondContact O-N 2.79Å; K146-R149 CarbonylContact O-C 3.55Å; K146-R149 VanDerWaalsContact O-C 3.24Å; K146-R149 PolarHBondContact O-N 2.86Å; K146-R149 VanDerWaalsContact O-N 3.14Å; K146-R150 PolarHBondContact O-N 3.48Å
147A50.9Low56.1Low20 Ų20104.9 Ų104.917%0.16551%0.513CS..Hα-helixtrans-63.9-33.8179.700000112.7Q133 F143 L144 R149Q133-A147 VanDerWaalsContact NE2-CB 3.32Å; F143-A147 PolarHBondContact O-N 3.06Å; L144-A147 PolarHBondContact O-N 2.86Å; A147-R149 PolarHBondContact O-N 2.91Å
148Q51.3Low56.3Low189 Ų189103.8 Ų103.888%0.88351%0.505SS*.THydrogen-bonded Turntrans-77.6-3.8177.7-140.4164.5-18.900113.5K146K146-Q148 VanDerWaalsContact C-N 3.29Å; K146-Q148 PolarHBondContact O-N 2.79Å
149R51.4Low56.8Low224 Ų224100.2 Ų100.285%0.84549%0.486SS*.THydrogen-bonded Turntrans-139.647.7176.3-66.1-165.8178.8-155.71.1110.9K146 A147K146-R149 CarbonylContact O-C 3.55Å; K146-R149 VanDerWaalsContact O-C 3.24Å; K146-R149 PolarHBondContact O-N 2.86Å; K146-R149 VanDerWaalsContact O-N 3.14Å; A147-R149 PolarHBondContact O-N 2.91Å
150R61.2Low57.5Low48 Ų48103.5 Ų103.518%0.18148%0.483CS..  trans-74.3133.3172.1-72.8-172.5179.2154.23.9109.5E129 K146 D154 Q155E129-R150 IonicContact OE1-NH1 3.72Å; E129-R150 PolarHBondContact OE1-NH1 3.42Å; K146-R150 PolarHBondContact O-N 3.48Å; R150-D154 HydrophobicContact CB-CB 4.23Å; R150-D154 HydrophobicContact CG-CB 4.47Å; R150-Q155 HydrophobicContact CB-CG 4.26Å
151S58.8Low58.6Low42 Ų42102.8 Ų102.829%0.29448%0.478SS..  trans-69.9153.1170.165.60000109.7S153 D154 Q155S151-S153 PolarHBondContact O-N 2.76Å; S151-S153 PolarHBondContact OG-OG 3.17Å; S151-D154 PolarHBondContact N-OD2 2.85Å; S151-D154 WeakPolarHBondContact O-CB 3.15Å; S151-D154 PolarHBondContact O-N 2.95Å; S151-D154 VanDerWaalsContact OG-CG 3.26Å; S151-D154 PolarHBondContact OG-N 3.08Å; S151-D154 PolarHBondContact OG-OD2 3.41Å; S151-Q155 PolarHBondContact O-N 2.79Å
152P64.1Low60Low91 Ų91102.8 Ų102.859%0.59147%0.469SS*.Hα-helixtrans-54.2-26.7175.3-27.334.5000113.5R156P152-R156 VanDerWaalsContact O-CG 3.32Å; P152-R156 WeakPolarHBondContact O-CG 3.31Å; P152-R156 PolarHBondContact O-N 3.16Å; P152-R156 VanDerWaalsContact O-N 3.12Å
153S61.3Low61.5Low69 Ų69106 Ų10648%0.48347%0.468SS..Hα-helixtrans-74.5-31.4175.3450000113.4S151 R157S151-S153 PolarHBondContact O-N 2.76Å; S151-S153 PolarHBondContact OG-OG 3.17Å; S153-R157 WeakPolarHBondContact O-CG 3.44Å; S153-R157 PolarHBondContact O-N 3.43Å; S153-R157 VanDerWaalsContact O-N 3.1Å
154D62.1Low63.3Low53 Ų53104.3 Ų104.328%0.28347%0.471SS..Hα-helixtrans-71.7-41173.3-68.1-44.6000111.5R150 S151 R156 R157 I158R150-D154 HydrophobicContact CB-CB 4.23Å; R150-D154 HydrophobicContact CG-CB 4.47Å; S151-D154 PolarHBondContact N-OD2 2.85Å; S151-D154 WeakPolarHBondContact O-CB 3.15Å; S151-D154 PolarHBondContact O-N 2.95Å; S151-D154 VanDerWaalsContact OG-CG 3.26Å; S151-D154 PolarHBondContact OG-N 3.08Å; S151-D154 PolarHBondContact OG-OD2 3.41Å; D154-R156 VanDerWaalsContact C-N 3.34Å; D154-R156 PolarHBondContact O-N 3.05Å; D154-R157 WeakPolarHBondContact O-CB 3.3Å; D154-R157 PolarHBondContact O-N 3.37Å; D154-R157 VanDerWaalsContact O-N 3.08Å; D154-I158 WeakPolarHBondContact O-CG1 3.49Å; D154-I158 PolarHBondContact O-N 2.92Å
155Q65.4Low65Low72 Ų72106.3 Ų106.334%0.33648%0.481SS..Hα-helixtrans-59.8-44.4172.3-76.1174.3-28.200111.2R150 S151 R157 I158 R159R150-Q155 HydrophobicContact CB-CG 4.26Å; S151-Q155 PolarHBondContact O-N 2.79Å; Q155-R157 VanDerWaalsContact C-N 3.27Å; Q155-R157 PolarHBondContact O-N 3.27Å; Q155-I158 PolarHBondContact O-N 3.44Å; Q155-I158 VanDerWaalsContact O-N 3.15Å; Q155-R159 PolarHBondContact O-N 3.25Å
156R66.4Low66.6Low172 Ų172102.3 Ų102.365%0.64948%0.477SS*.Hα-helixtrans-59.4-34.8172.8-76.3176.4-171.6-160.12112.8P152 D154 R160P152-R156 VanDerWaalsContact O-CG 3.32Å; P152-R156 WeakPolarHBondContact O-CG 3.31Å; P152-R156 PolarHBondContact O-N 3.16Å; P152-R156 VanDerWaalsContact O-N 3.12Å; D154-R156 VanDerWaalsContact C-N 3.34Å; D154-R156 PolarHBondContact O-N 3.05Å; R156-R160 WeakPolarHBondContact O-CG 3.23Å; R156-R160 PolarHBondContact O-N 2.76Å
157R66.2Low68.3Low154 Ų15497.7 Ų97.758%0.58147%0.469SS*.Hα-helixtrans-68.8-39.9175.6-75.8174.5179.1-151.1-0.7111.8S153 D154 Q155 R160 H161S153-R157 WeakPolarHBondContact O-CG 3.44Å; S153-R157 PolarHBondContact O-N 3.43Å; S153-R157 VanDerWaalsContact O-N 3.1Å; D154-R157 WeakPolarHBondContact O-CB 3.3Å; D154-R157 PolarHBondContact O-N 3.37Å; D154-R157 VanDerWaalsContact O-N 3.08Å; Q155-R157 VanDerWaalsContact C-N 3.27Å; Q155-R157 PolarHBondContact O-N 3.27Å; R157-R160 PolarHBondContact O-N 2.93Å; R157-H161 PolarHBondContact O-CD2 2.87Å; R157-H161 PolarHBondContact O-NE2 3.15Å
158I63.7Low70Confident46 Ų4697.6 Ų97.624%0.23647%0.465CS..Hα-helixtrans-68.4-42.8179.3-65.8171.7000110.8D154 Q155 R160 H161 R162D154-I158 WeakPolarHBondContact O-CG1 3.49Å; D154-I158 PolarHBondContact O-N 2.92Å; Q155-I158 PolarHBondContact O-N 3.44Å; Q155-I158 VanDerWaalsContact O-N 3.15Å; I158-R160 PolarHBondContact O-N 2.87Å; I158-H161 PolarHBondContact O-N 2.65Å; I158-R162 PolarHBondContact O-N 3.19Å
159R67.7Low71.8Confident129 Ų12991.8 Ų91.849%0.48744%0.437SS..Hα-helixtrans-55.5-36.8174.9-76-174.51721712.3112.4D122 E125 Q155 H161 R162D122-R159 IonicContact OD1-CZ 3.37Å; D122-R159 IonicContact OD1-NH2 2.94Å; D122-R159 PolarHBondContact OD1-NH2 3.02Å; E125-R159 IonicContact OE2-CZ 2.65Å; E125-R159 IonicContact OE2-NE 2.9Å; E125-R159 PolarHBondContact OE2-NE 2.84Å; E125-R159 IonicContact OE2-NH2 3.91Å; E125-R159 PolarHBondContact OE2-NH2 3.02Å; Q155-R159 PolarHBondContact O-N 3.25Å; R159-H161 PolarHBondContact O-N 3.39Å; R159-R162 PolarHBondContact O-N 3.48Å
160R72Confident73.5Confident164 Ų16484.3 Ų84.362%0.61941%0.409SS*.THydrogen-bonded Turntrans-64.7-21176.8-70.8170.4-170.5156.70.9114.6R156 R157 I158R156-R160 WeakPolarHBondContact O-CG 3.23Å; R156-R160 PolarHBondContact O-N 2.76Å; R157-R160 PolarHBondContact O-N 2.93Å; I158-R160 PolarHBondContact O-N 2.87Å
161H75.4Confident74.7Confident33 Ų3383 Ų8315%0.15341%0.405CS..THydrogen-bonded Turntrans-1024.1-178.1-56.6-50000113.3R157 I158 R159 N171 Y172 K173R157-H161 PolarHBondContact O-CD2 2.87Å; R157-H161 PolarHBondContact O-NE2 3.15Å; I158-H161 PolarHBondContact O-N 2.65Å; R159-H161 PolarHBondContact O-N 3.39Å; H161-N171 WeakPolarHBondContact O-CA 3.31Å; H161-Y172 VanDerWaalsContact CA-CE1 3.44Å; H161-Y172 HydrophobicContact CB-CD1 4.17Å; H161-Y172 HydrophobicContact CB-CE1 3.72Å; H161-Y172 PolarHBondContact CE1-OH 3.49Å; H161-Y172 AromaticContact CG-CZ 3.98Å; H161-Y172 AromaticContact ND1-CE1 3.57Å; H161-Y172 AromaticContact ND1-CZ 3.21Å; H161-Y172 PolarHBondContact ND1-OH 3.48Å; H161-Y172 WeakPolarHBondContact O-CD1 3.38Å; H161-Y172 PolarHBondContact O-N 3.18Å; H161-K173 HydrophobicContact CB-CD 4.24Å; H161-K173 HydrophobicContact CB-CG 4.2Å; H161-K173 VanDerWaalsContact CD2-CD 3.49Å; H161-K173 WeakPolarHBondContact CD2-CD 3.36Å; H161-K173 PolarHBondContact CD2-NZ 3.3Å; H161-K173 WeakPolarHBondContact CE1-CE 3.4Å; H161-K173 PolarHBondContact CE1-NZ 3.38Å; H161-K173 WeakPolarHBondContact ND1-CE 3.39Å; H161-K173 VanDerWaalsContact NE2-CE 3.26Å; H161-K173 WeakPolarHBondContact NE2-CE 3.23Å; H161-K173 PolarHBondContact NE2-NZ 3.16Å
162R79.6Confident75.8Confident46 Ų4685.7 Ų85.717%0.17441%0.41CS..EExtended strand (participates in β ladder)trans-100.1127.2178.1-168.216983.3145.53.7109.3E125 Y128 I158 R159 F169 Y170E125-R162 VanDerWaalsContact CD-NH2 3.31Å; E125-R162 IonicContact OE1-CZ 3.46Å; E125-R162 IonicContact OE1-NH2 2.86Å; E125-R162 PolarHBondContact OE1-NH2 3.22Å; Y128-R162 VanDerWaalsContact CD1-NH1 3.31Å; I158-R162 PolarHBondContact O-N 3.19Å; R159-R162 PolarHBondContact O-N 3.48Å; R162-F169 HydrophobicContact CG-CD1 4.15Å; R162-Y170 WeakPolarHBondContact CA-O 3.41Å
163F82.4Confident76.6Confident119 Ų11987.1 Ų87.152%0.52241%0.407SS..EExtended strand (participates in β ladder)trans-120.5148.1170.6-63.3-74.4000109.2Y170 Y172F163-Y170 PolarHBondContact N-O 3.13Å; F163-Y170 PolarHBondContact O-N 3.46Å; F163-Y172 AromaticContact CD2-CD1 3.76Å; F163-Y172 HydrophobicContact CD2-CD1 3.76Å; F163-Y172 HydrophobicContact CD2-CE1 4.16Å; F163-Y172 AromaticContact CE2-CD1 3.37Å; F163-Y172 HydrophobicContact CE2-CD1 3.37Å; F163-Y172 AromaticContact CE2-CE1 3.35Å; F163-Y172 HydrophobicContact CE2-CE1 3.35Å; F163-Y172 HydrophobicContact CE2-CG 4.49Å; F163-Y172 HydrophobicContact CZ-CE1 4.14Å
164S85.5Confident77.6Confident84 Ų8486.7 Ų86.759%0.58740%0.401SS*.EExtended strand (participates in β ladder)trans-106.6139.6168.857.30000110H168S164-H168 CarbonylContact C-O 3.24Å; S164-H168 WeakPolarHBondContact CA-O 3.01Å
165I82.6Confident78.8Confident109 Ų10984.1 Ų84.156%0.55939%0.388SS*.EExtended strand (participates in β ladder)trans-135.8119.1171.9-176.3165.9000107.9G167 H168I165-G167 PolarHBondContact O-N 3.29Å; I165-G167 VanDerWaalsContact O-N 3.13Å; I165-H168 HydrophobicContact CG2-CB 4.48Å; I165-H168 PolarHBondContact N-O 3.01Å; I165-H168 WeakPolarHBondContact O-CB 3.45Å; I165-H168 PolarHBondContact O-CD2 2.87Å; I165-H168 VanDerWaalsContact O-CD2 3.3Å; I165-H168 PolarHBondContact O-N 2.96Å
166N81.5Confident80Confident146 Ų14680.8 Ų80.878%0.78137%0.372SS*.THydrogen-bonded Turntrans51.336-176.8-56.5-27.4000113.5H168N166-H168 PolarHBondContact O-N 3.34Å
167G84.4Confident81.1Confident42 Ų4273.1 Ų73.143%0.43334%0.343SS..THydrogen-bonded Turntrans79.6-9.1-17700000115.2I165I165-G167 PolarHBondContact O-N 3.29Å; I165-G167 VanDerWaalsContact O-N 3.13Å
168H87.6Confident82.3Confident18 Ų1867 Ų678%0.08332%0.323CS..EExtended strand (participates in β ladder)trans-78140.4170-53.3-80.6000110.5W58 S164 I165 N166 F177 P179 A180 S183W58-H168 AromaticContact CD1-CE1 3.58Å; W58-H168 AromaticContact NE1-CE1 3.57Å; S164-H168 CarbonylContact C-O 3.24Å; S164-H168 WeakPolarHBondContact CA-O 3.01Å; I165-H168 HydrophobicContact CG2-CB 4.48Å; I165-H168 PolarHBondContact N-O 3.01Å; I165-H168 WeakPolarHBondContact O-CB 3.45Å; I165-H168 PolarHBondContact O-CD2 2.87Å; I165-H168 VanDerWaalsContact O-CD2 3.3Å; I165-H168 PolarHBondContact O-N 2.96Å; N166-H168 PolarHBondContact O-N 3.34Å; H168-F177 HydrophobicContact CB-CD2 4.44Å; H168-F177 HydrophobicContact CB-CE2 3.43Å; H168-F177 VanDerWaalsContact CB-CE2 3.43Å; H168-F177 HydrophobicContact CB-CZ 3.73Å; H168-F177 AromaticContact CG-CE2 3.96Å; H168-F177 AromaticContact CG-CZ 3.74Å; H168-F177 AromaticContact ND1-CZ 3.67Å; H168-P179 WeakPolarHBondContact ND1-CA 3.46Å; H168-P179 WeakPolarHBondContact ND1-CB 3.48Å; H168-A180 PolarHBondContact ND1-N 2.99Å; H168-S183 PolarHBondContact CE1-OG 3.24Å
169F87.4Confident83.7Confident67 Ų6765.2 Ų65.229%0.29432%0.315SS..EExtended strand (participates in β ladder)trans-99.7136.8175.8-65.1-83.4000111.3Y128 R162 F177 T178Y128-F169 HydrophobicContact CE2-CB 3.91Å; Y128-F169 HydrophobicContact CE2-CD2 4.12Å; Y128-F169 HydrophobicContact CE2-CG 4.11Å; Y128-F169 VanDerWaalsContact OH-CB 3.28Å; Y128-F169 WeakPolarHBondContact OH-CB 3.41Å; R162-F169 HydrophobicContact CG-CD1 4.15Å; F169-F177 WeakPolarHBondContact O-CA 3.47Å; F169-T178 PolarHBondContact N-O 3.43Å; F169-T178 PolarHBondContact O-N 2.9Å
170Y87.1Confident84.9Confident66 Ų6660.6 Ų60.626%0.25930%0.304SS..EExtended strand (participates in β ladder)trans-132.5131.8178178-118000111L66 R162 F163 Y172 V176 F177L66-Y170 HydrophobicContact CB-CE2 4.45Å; L66-Y170 HydrophobicContact CD1-CD2 3.81Å; L66-Y170 HydrophobicContact CD1-CE2 3.63Å; L66-Y170 HydrophobicContact CG-CD2 4.5Å; L66-Y170 HydrophobicContact CG-CE2 4.19Å; R162-Y170 WeakPolarHBondContact CA-O 3.41Å; F163-Y170 PolarHBondContact N-O 3.13Å; F163-Y170 PolarHBondContact O-N 3.46Å; Y170-Y172 VanDerWaalsContact CE1-CA 3.44Å; Y170-Y172 VanDerWaalsContact CE1-CB 3.49Å; Y170-V176 WeakPolarHBondContact CA-O 3.33Å; Y170-F177 HydrophobicContact CD2-CB 4.42Å
171N86.5Confident85.9Confident20 Ų2059.3 Ų59.311%0.10730%0.301CS..EExtended strand (participates in β ladder)trans-107.4108.5169.2-174.3-38.2000109.7H161 K173 T174 A175 V176H161-N171 WeakPolarHBondContact O-CA 3.31Å; N171-K173 VanDerWaalsContact C-N 3.27Å; N171-K173 PolarHBondContact O-N 3.2Å; N171-K173 PolarHBondContact OD1-N 3.42Å; N171-T174 WeakPolarHBondContact CB-OG1 3.14Å; N171-T174 PolarHBondContact O-N 3.09Å; N171-T174 PolarHBondContact OD1-N 3.44Å; N171-T174 PolarHBondContact OD1-OG1 3.49Å; N171-A175 WeakPolarHBondContact O-CA 2.64Å; N171-A175 PolarHBondContact O-N 3.26Å; N171-V176 HydrophobicContact CB-CB 4.47Å; N171-V176 PolarHBondContact N-O 2.9Å; N171-V176 PolarHBondContact O-N 3.45Å
172Y82Confident86.8Confident100 Ų10058.7 Ų58.739%0.39230%0.303SS..THydrogen-bonded Turntrans-71.7-18.8-17469.9-93.8000114.4H161 F163 Y170H161-Y172 VanDerWaalsContact CA-CE1 3.44Å; H161-Y172 HydrophobicContact CB-CD1 4.17Å; H161-Y172 HydrophobicContact CB-CE1 3.72Å; H161-Y172 PolarHBondContact CE1-OH 3.49Å; H161-Y172 AromaticContact CG-CZ 3.98Å; H161-Y172 AromaticContact ND1-CE1 3.57Å; H161-Y172 AromaticContact ND1-CZ 3.21Å; H161-Y172 PolarHBondContact ND1-OH 3.48Å; H161-Y172 WeakPolarHBondContact O-CD1 3.38Å; H161-Y172 PolarHBondContact O-N 3.18Å; F163-Y172 AromaticContact CD2-CD1 3.76Å; F163-Y172 HydrophobicContact CD2-CD1 3.76Å; F163-Y172 HydrophobicContact CD2-CE1 4.16Å; F163-Y172 AromaticContact CE2-CD1 3.37Å; F163-Y172 HydrophobicContact CE2-CD1 3.37Å; F163-Y172 AromaticContact CE2-CE1 3.35Å; F163-Y172 HydrophobicContact CE2-CE1 3.35Å; F163-Y172 HydrophobicContact CE2-CG 4.49Å; F163-Y172 HydrophobicContact CZ-CE1 4.14Å; Y170-Y172 VanDerWaalsContact CE1-CA 3.44Å; Y170-Y172 VanDerWaalsContact CE1-CB 3.49Å
173K82.1Confident87.6Confident120 Ų12057.8 Ų57.852%0.52230%0.303SS..THydrogen-bonded Turntrans-80.4-37.9176.6-73.7-167.2171.2179.60112.5H161 N171H161-K173 HydrophobicContact CB-CD 4.24Å; H161-K173 HydrophobicContact CB-CG 4.2Å; H161-K173 VanDerWaalsContact CD2-CD 3.49Å; H161-K173 WeakPolarHBondContact CD2-CD 3.36Å; H161-K173 PolarHBondContact CD2-NZ 3.3Å; H161-K173 WeakPolarHBondContact CE1-CE 3.4Å; H161-K173 PolarHBondContact CE1-NZ 3.38Å; H161-K173 WeakPolarHBondContact ND1-CE 3.39Å; H161-K173 VanDerWaalsContact NE2-CE 3.26Å; H161-K173 WeakPolarHBondContact NE2-CE 3.23Å; H161-K173 PolarHBondContact NE2-NZ 3.16Å; N171-K173 VanDerWaalsContact C-N 3.27Å; N171-K173 PolarHBondContact O-N 3.2Å; N171-K173 PolarHBondContact OD1-N 3.42Å
174T82.8Confident88.2Confident60 Ų6055.4 Ų55.437%0.36830%0.299SS..THydrogen-bonded Turntrans-101.9-4.8-177.260.60000113R65 N171 V176R65-T174 PolarHBondContact NH1-O 2.95Å; N171-T174 WeakPolarHBondContact CB-OG1 3.14Å; N171-T174 PolarHBondContact O-N 3.09Å; N171-T174 PolarHBondContact OD1-N 3.44Å; N171-T174 PolarHBondContact OD1-OG1 3.49Å; T174-V176 PolarHBondContact O-N 3.09Å; T174-V176 VanDerWaalsContact O-N 3.12Å; T174-V176 WeakPolarHBondContact OG1-CG2 3.49Å
175A87.1Confident88.7Confident0 Ų052.2 Ų52.20%028%0.276CS..THydrogen-bonded Turntrans51.424.8-170.900000113.9R65 L66 M68 N171R65-A175 WeakPolarHBondContact CA-O 3.46Å; L66-A175 PolarHBondContact N-O 3.31Å; L66-A175 VanDerWaalsContact O-CB 3.32Å; L66-A175 WeakPolarHBondContact O-CB 3.34Å; M68-A175 HydrophobicContact CG-CB 3.63Å; N171-A175 WeakPolarHBondContact O-CA 2.64Å; N171-A175 PolarHBondContact O-N 3.26Å
176V89.4Confident89.3Confident2 Ų250 Ų501%0.01227%0.265CS..EExtended strand (participates in β ladder)trans-77.7128.9176.7174.90000108.4P63 A132 L134 Y170 N171 T174P63-V176 HydrophobicContact CB-CG1 3.62Å; A132-V176 HydrophobicContact CB-CG1 4.35Å; L134-V176 HydrophobicContact CB-CG2 4.5Å; L134-V176 HydrophobicContact CD1-CG2 4.42Å; Y170-V176 WeakPolarHBondContact CA-O 3.33Å; N171-V176 HydrophobicContact CB-CB 4.47Å; N171-V176 PolarHBondContact N-O 2.9Å; N171-V176 PolarHBondContact O-N 3.45Å; T174-V176 PolarHBondContact O-N 3.09Å; T174-V176 VanDerWaalsContact O-N 3.12Å; T174-V176 WeakPolarHBondContact OG1-CG2 3.49Å
177F90.9Very high90.1Very high10 Ų1043.2 Ų43.24%0.04423%0.229CC..EExtended strand (participates in β ladder)trans-122.6126.4177.9175.9-105.7000109.7W58 I64 L66 H168 F169 Y170 P179W58-F177 HydrophobicContact CH2-CE1 4.3Å; W58-F177 HydrophobicContact CZ2-CE1 4.44Å; I64-F177 HydrophobicContact CD1-CD1 3.8Å; I64-F177 HydrophobicContact CD1-CE1 4.37Å; I64-F177 HydrophobicContact CG1-CB 4.34Å; I64-F177 HydrophobicContact CG1-CD1 3.78Å; I64-F177 WeakPolarHBondContact CG1-O 3.42Å; I64-F177 PolarHBondContact N-O 2.78Å; I64-F177 PolarHBondContact O-N 3.35Å; L66-F177 HydrophobicContact CD1-CB 4Å; L66-F177 HydrophobicContact CD1-CD2 4.35Å; L66-F177 HydrophobicContact CD1-CG 4.27Å; L66-F177 HydrophobicContact CD2-CB 3.73Å; L66-F177 HydrophobicContact CD2-CD1 4.19Å; L66-F177 HydrophobicContact CD2-CG 4.03Å; L66-F177 HydrophobicContact CG-CB 3.67Å; L66-F177 HydrophobicContact CG-CG 4.3Å; H168-F177 HydrophobicContact CB-CD2 4.44Å; H168-F177 HydrophobicContact CB-CE2 3.43Å; H168-F177 VanDerWaalsContact CB-CE2 3.43Å; H168-F177 HydrophobicContact CB-CZ 3.73Å; H168-F177 AromaticContact CG-CE2 3.96Å; H168-F177 AromaticContact CG-CZ 3.74Å; H168-F177 AromaticContact ND1-CZ 3.67Å; F169-F177 WeakPolarHBondContact O-CA 3.47Å; Y170-F177 HydrophobicContact CD2-CB 4.42Å; F177-P179 HydrophobicContact CD1-CB 4.44Å; F177-P179 HydrophobicContact CD1-CG 4.36Å; F177-P179 HydrophobicContact CE1-CB 3.65Å; F177-P179 HydrophobicContact CE1-CG 3.96Å; F177-P179 HydrophobicContact CZ-CB 4.03Å
178T90.9Very high90.7Very high26 Ų2646.7 Ų46.716%0.1623%0.229CC..EExtended strand (participates in β ladder)trans-118.2102.1177.8-52.30000107.6P63 Y128 F169P63-T178 WeakPolarHBondContact CB-OG1 3.47Å; P63-T178 HydrophobicContact CG-CG2 4.31Å; P63-T178 WeakPolarHBondContact CG-OG1 3.46Å; Y128-T178 HydrophobicContact CD2-CG2 4.2Å; Y128-T178 HydrophobicContact CE2-CG2 3.77Å; Y128-T178 WeakPolarHBondContact CE2-OG1 3.39Å; F169-T178 PolarHBondContact N-O 3.43Å; F169-T178 PolarHBondContact O-N 2.9Å
179P92.7Very high91.2Very high8 Ų846.1 Ų46.15%0.05223%0.226CC..PPolyproline II helixtrans-73.1142.318024.4-26.7000111.3W58 L60 H168 F177 Y181W58-P179 HydrophobicContact CB-CB 3.84Å; W58-P179 HydrophobicContact CB-CG 4.27Å; W58-P179 HydrophobicContact CD2-CB 3.63Å; W58-P179 HydrophobicContact CD2-CG 4.02Å; W58-P179 HydrophobicContact CE3-CB 3.82Å; W58-P179 HydrophobicContact CE3-CG 3.67Å; W58-P179 HydrophobicContact CG-CB 3.65Å; W58-P179 HydrophobicContact CG-CG 4.3Å; W58-P179 HydrophobicContact CZ3-CG 4.33Å; L60-P179 HydrophobicContact CB-CG 4.17Å; L60-P179 HydrophobicContact CD1-CG 3.89Å; L60-P179 HydrophobicContact CG-CG 4.41Å; H168-P179 WeakPolarHBondContact ND1-CA 3.46Å; H168-P179 WeakPolarHBondContact ND1-CB 3.48Å; F177-P179 HydrophobicContact CD1-CB 4.44Å; F177-P179 HydrophobicContact CD1-CG 4.36Å; F177-P179 HydrophobicContact CE1-CB 3.65Å; F177-P179 HydrophobicContact CE1-CG 3.96Å; F177-P179 HydrophobicContact CZ-CB 4.03Å; P179-Y181 PolarHBondContact O-N 3.1Å
180A92.9Very high91.7Very high33 Ų3345.1 Ų45.127%0.27322%0.224SC..PPolyproline II helixtrans-61.6123.3171.300000110H168 G182 S183H168-A180 PolarHBondContact ND1-N 2.99Å; A180-G182 PolarHBondContact O-N 2.65Å; A180-S183 VanDerWaalsContact O-CB 3.3Å; A180-S183 WeakPolarHBondContact O-CB 3.39Å; A180-S183 PolarHBondContact O-N 3.02Å; A180-S183 VanDerWaalsContact O-N 3.11Å; A180-S183 PolarHBondContact O-OG 3.01Å
181Y93.5Very high92.1Very high137 Ų13742.3 Ų42.354%0.53721%0.214SC..THydrogen-bonded Turntrans-59.3134178.7-175-87000110.7P179 S183P179-Y181 PolarHBondContact O-N 3.1Å; Y181-S183 PolarHBondContact O-N 3.42Å
182G93.8Very high92.4Very high20 Ų2044 Ų4421%0.20623%0.226CC..THydrogen-bonded Turntrans75.6-3.7-17900000115W58 A180 R250W58-G182 PolarHBondContact O-N 3.39Å; A180-G182 PolarHBondContact O-N 2.65Å; G182-R250 PolarHBondContact O-NH2 2.84Å
183S95.4Very high93.2Very high26 Ų2640.7 Ų40.718%0.18222%0.215CC..  trans-64.6150.4169.363.50000110.5S57 W58 H168 A180 Y181S57-S183 CarbonylContact C-O 3.6Å; S57-S183 VanDerWaalsContact CA-O 3.29Å; S57-S183 WeakPolarHBondContact CA-O 3.37Å; W58-S183 PolarHBondContact N-O 3.08Å; H168-S183 PolarHBondContact CE1-OG 3.24Å; A180-S183 VanDerWaalsContact O-CB 3.3Å; A180-S183 WeakPolarHBondContact O-CB 3.39Å; A180-S183 PolarHBondContact O-N 3.02Å; A180-S183 VanDerWaalsContact O-N 3.11Å; A180-S183 PolarHBondContact O-OG 3.01Å; Y181-S183 PolarHBondContact O-N 3.42Å
184V95.8Very high93.9Very high69 Ų6936.4 Ų36.442%0.41820%0.199SC..EExtended strand (participates in β ladder)trans-112.1136.8-172.4-178.30000110.1N55N55-V184 HydrophobicContact CB-CG1 3.67Å
185T95.6Very high94.6Very high17 Ų1734 Ų3410%0.10418%0.184CC..EExtended strand (participates in β ladder)trans-125.2155.3164.5-165.90000110.2N55 I56 W58 L202 K205 F206N55-T185 CarbonylContact C-O 3.59Å; N55-T185 WeakPolarHBondContact CA-O 3.48Å; I56-T185 PolarHBondContact N-O 2.99Å; I56-T185 PolarHBondContact O-N 3.45Å; I56-T185 VanDerWaalsContact O-O 3.12Å; W58-T185 HydrophobicContact CZ2-CG2 4.25Å; T185-L202 HydrophobicContact CG2-CD1 3.46Å; T185-L202 VanDerWaalsContact CG2-CD1 3.46Å; T185-K205 PolarHBondContact OG1-NZ 2.96Å; T185-K205 VanDerWaalsContact OG1-NZ 3.16Å; T185-F206 HydrophobicContact CG2-CE2 3.74Å; T185-F206 HydrophobicContact CG2-CZ 4.08Å; T185-F206 WeakPolarHBondContact OG1-CE2 3.39Å; T185-F206 VanDerWaalsContact OG1-CZ 3.28Å; T185-F206 WeakPolarHBondContact OG1-CZ 3.2Å
186N96.1Very high95.1Very high63 Ų6335.1 Ų35.134%0.33719%0.191SC..EExtended strand (participates in β ladder)trans-109.6148177.655.927.5000111.9L53 L54 K205L53-N186 HydrophobicContact CB-CB 4.31Å; L53-N186 HydrophobicContact CD2-CB 4.37Å; L54-N186 CarbonylContact O-C 3.54Å; L54-N186 VanDerWaalsContact O-CA 3.24Å; L54-N186 WeakPolarHBondContact O-CA 3.31Å; N186-K205 PolarHBondContact O-NZ 3Å; N186-K205 PolarHBondContact OD1-NZ 2.95Å
187V97.5Very high95.5Very high3 Ų338.8 Ų38.82%0.01821%0.209CC..EExtended strand (participates in β ladder)trans-128.3137.6172-70.20000109.6L53 L54 I56 I189 V198 V201 L202 K205L53-V187 CarbonylContact C-O 3.6Å; L53-V187 WeakPolarHBondContact CA-O 3.31Å; L54-V187 HydrophobicContact CB-CG2 4.24Å; L54-V187 PolarHBondContact N-O 3.29Å; L54-V187 PolarHBondContact O-N 3.32Å; I56-V187 HydrophobicContact CD1-CG2 3.66Å; I56-V187 HydrophobicContact CG1-CG2 4.35Å; V187-I189 HydrophobicContact CB-CG2 4.28Å; V187-I189 HydrophobicContact CG2-CG2 3.9Å; V187-I189 PolarHBondContact O-N 3.22Å; V187-V198 HydrophobicContact CG2-CG1 4.29Å; V187-V201 HydrophobicContact CB-CG1 4.1Å; V187-V201 HydrophobicContact CG1-CG1 4.25Å; V187-L202 HydrophobicContact CG1-CB 4.05Å; V187-L202 HydrophobicContact CG1-CD1 3.78Å; V187-K205 HydrophobicContact CG1-CD 4.26Å
188R97.4Very high95.9Very high115 Ų11538.3 Ų38.343%0.43421%0.207SC..EExtended strand (participates in β ladder)trans-80.9116.2175.8-173.977.4-179.9175.56.3108.5E51 G52 L53E51-R188 IonicContact OE1-NH2 3.65Å; E51-R188 PolarHBondContact OE1-NH2 3.22Å; G52-R188 WeakPolarHBondContact O-CA 3.32Å; L53-R188 HydrophobicContact CD2-CB 4.09Å
189I98.1Very high96.2Very high7 Ų737.7 Ų37.74%0.03620%0.202CC..EExtended strand (participates in β ladder)trans-141.3170.2-175.963.1167.2000111.4E51 G52 L54 V187 M193 V198 L236E51-I189 WeakPolarHBondContact CA-O 3.32Å; G52-I189 PolarHBondContact N-O 2.59Å; G52-I189 PolarHBondContact O-N 3.26Å; L54-I189 HydrophobicContact CB-CD1 3.54Å; L54-I189 HydrophobicContact CB-CG1 3.84Å; L54-I189 HydrophobicContact CD2-CD1 3.43Å; L54-I189 VanDerWaalsContact CD2-CD1 3.43Å; L54-I189 HydrophobicContact CG-CD1 4.07Å; V187-I189 HydrophobicContact CB-CG2 4.28Å; V187-I189 HydrophobicContact CG2-CG2 3.9Å; V187-I189 PolarHBondContact O-N 3.22Å; I189-M193 HydrophobicContact CB-SD 3.58Å; I189-M193 VanDerWaalsContact CB-SD 3.58Å; I189-M193 HydrophobicContact CG2-CE 4.19Å; I189-M193 HydrophobicContact CG2-SD 3.74Å; I189-V198 HydrophobicContact CB-CG2 4.49Å; I189-V198 HydrophobicContact CD1-CG1 4.14Å; I189-V198 HydrophobicContact CD1-CG2 3.83Å; I189-V198 HydrophobicContact CG2-CG1 4.31Å; I189-V198 HydrophobicContact CG2-CG2 4.15Å; I189-L236 HydrophobicContact CD1-CB 3.76Å; I189-L236 HydrophobicContact CD1-CD1 4.24Å; I189-L236 HydrophobicContact CD1-CG 4.46Å; I189-L236 HydrophobicContact CG1-CB 4.2Å; I189-L236 HydrophobicContact CG1-CD1 4.17Å; I189-L236 HydrophobicContact CG1-CD2 4.34Å; I189-L236 HydrophobicContact CG1-CG 4.47Å
190N97.2Very high96.4Very high46 Ų4643.4 Ų43.425%0.24622%0.223CC..EExtended strand (participates in β ladder)trans-124.8170.9172.671.142.4000112.3I49 V50 E51 C192 M193I49-N190 HydrophobicContact CG2-CB 4.12Å; V50-N190 CarbonylContact O-C 3.49Å; V50-N190 WeakPolarHBondContact O-CA 3.48Å; V50-N190 WeakPolarHBondContact O-CB 3.45Å; E51-N190 HydrophobicContact CB-CB 4.05Å; N190-C192 PolarHBondContact O-N 2.74Å; N190-C192 WeakPolarHBondContact OD1-CB 3.47Å; N190-C192 PolarHBondContact OD1-N 3.01Å; N190-M193 WeakPolarHBondContact O-CB 2.89Å; N190-M193 PolarHBondContact O-N 3.15Å; N190-M193 WeakPolarHBondContact OD1-CG 3.45Å; N190-M193 PolarHBondContact OD1-N 3.17Å
191S95.6Very high96.6Very high7 Ų744.3 Ų44.35%0.04922%0.224CC..THydrogen-bonded Turntrans-67.9-18.6-176.150.90000114.3I49 V50 M193 Y234I49-S191 WeakPolarHBondContact CA-OG 3.43Å; V50-S191 PolarHBondContact N-OG 3.26Å; V50-S191 PolarHBondContact O-N 3.16Å; V50-S191 PolarHBondContact O-OG 3.06Å; S191-M193 VanDerWaalsContact C-N 3.31Å; S191-Y234 WeakPolarHBondContact O-CD1 3.28Å
192C94.5Very high96.8Very high54 Ų5437.8 Ų37.837%0.36520%0.199SC..THydrogen-bonded Turntrans-87.2-4.1178.3-49.50000112.2N190N190-C192 PolarHBondContact O-N 2.74Å; N190-C192 WeakPolarHBondContact OD1-CB 3.47Å; N190-C192 PolarHBondContact OD1-N 3.01Å
193M97.3Very high96.9Very high31 Ų3137.1 Ų37.115%0.15319%0.191CC..  trans-81.6123178-64.4-173.87200111.6I189 N190 S191 Q197 V198 V201 P235I189-M193 HydrophobicContact CB-SD 3.58Å; I189-M193 VanDerWaalsContact CB-SD 3.58Å; I189-M193 HydrophobicContact CG2-CE 4.19Å; I189-M193 HydrophobicContact CG2-SD 3.74Å; N190-M193 WeakPolarHBondContact O-CB 2.89Å; N190-M193 PolarHBondContact O-N 3.15Å; N190-M193 WeakPolarHBondContact OD1-CG 3.45Å; N190-M193 PolarHBondContact OD1-N 3.17Å; S191-M193 VanDerWaalsContact C-N 3.31Å; M193-Q197 HydrophobicContact CB-CB 4.5Å; M193-Q197 HydrophobicContact CE-CB 3.99Å; M193-V198 HydrophobicContact CB-CG2 3.77Å; M193-V198 HydrophobicContact CE-CG2 4.48Å; M193-V201 HydrophobicContact CE-CG2 3.5Å; M193-V201 VanDerWaalsContact CE-CG2 3.5Å; M193-P235 WeakPolarHBondContact O-CD 3.39Å
194T97.4Very high96.9Very high31 Ų3140.7 Ų40.719%0.1921%0.208CC..  trans-76.2160.7173.655.90000112.2P196 Q197 V198 D233 Y234T194-P196 VanDerWaalsContact C-CD 3.49Å; T194-Q197 WeakPolarHBondContact O-CB 3.14Å; T194-Q197 PolarHBondContact O-N 2.92Å; T194-Q197 VanDerWaalsContact OG1-CD 3.26Å; T194-Q197 WeakPolarHBondContact OG1-CG 3.38Å; T194-Q197 PolarHBondContact OG1-OE1 2.94Å; T194-V198 PolarHBondContact O-N 2.86Å; T194-D233 CarbonylContact C-O 3.49Å; T194-D233 VanDerWaalsContact CA-O 3.31Å; T194-D233 WeakPolarHBondContact CA-O 3.49Å; T194-Y234 HydrophobicContact CG2-CD1 4.29Å; T194-Y234 HydrophobicContact CG2-CE1 3.75Å
195T97.9Very high96.8Very high9 Ų942.2 Ų42.26%0.05521%0.209CC..Hα-helixtrans-46.6-48.1177.3-55.50000113.8Q197 V198 L199 L217 L229 K230 D233T195-Q197 VanDerWaalsContact C-N 3.3Å; T195-Q197 PolarHBondContact O-N 2.77Å; T195-V198 PolarHBondContact O-N 2.85Å; T195-L199 VanDerWaalsContact O-CB 3.32Å; T195-L199 WeakPolarHBondContact O-CB 3.35Å; T195-L199 PolarHBondContact O-N 3.2Å; T195-L217 HydrophobicContact CG2-CB 4.11Å; T195-L217 HydrophobicContact CG2-CD1 4.07Å; T195-L217 HydrophobicContact CG2-CG 4.23Å; T195-L229 HydrophobicContact CG2-CB 3.83Å; T195-K230 WeakPolarHBondContact CB-O 3.4Å; T195-K230 PolarHBondContact OG1-O 2.77Å; T195-D233 PolarHBondContact N-O 3.3Å; T195-D233 PolarHBondContact OG1-O 2.91Å
196P97.5Very high96.7Very high23 Ų2343.7 Ų43.715%0.14921%0.214CC..Hα-helixtrans-69.2-24.9179.8-19.133.6000114T194 R200 R231T194-P196 VanDerWaalsContact C-CD 3.49Å; P196-R200 PolarHBondContact O-N 2.87Å; P196-R200 PolarHBondContact O-NE 2.71Å; P196-R200 VanDerWaalsContact O-NE 3.16Å; P196-R231 WeakPolarHBondContact CD-O 3.36Å; P196-R231 HydrophobicContact CG-CB 3.99Å; P196-R231 HydrophobicContact CG-CG 4.22Å
197Q97.9Very high96.5Very high80 Ų8046.5 Ų46.537%0.37422%0.223SC..Hα-helixtrans-76.2-46.1175.3-67.8167.4-35.500110.2M193 T194 T195 L199 R200 V201M193-Q197 HydrophobicContact CB-CB 4.5Å; M193-Q197 HydrophobicContact CE-CB 3.99Å; T194-Q197 WeakPolarHBondContact O-CB 3.14Å; T194-Q197 PolarHBondContact O-N 2.92Å; T194-Q197 VanDerWaalsContact OG1-CD 3.26Å; T194-Q197 WeakPolarHBondContact OG1-CG 3.38Å; T194-Q197 PolarHBondContact OG1-OE1 2.94Å; T195-Q197 VanDerWaalsContact C-N 3.3Å; T195-Q197 PolarHBondContact O-N 2.77Å; Q197-L199 VanDerWaalsContact C-N 3.32Å; Q197-L199 PolarHBondContact O-N 2.82Å; Q197-R200 PolarHBondContact O-N 2.85Å; Q197-V201 WeakPolarHBondContact O-CG2 3.32Å; Q197-V201 PolarHBondContact O-N 2.86Å
198V98.2Very high96.3Very high0 Ų046.8 Ų46.80%022%0.224CC..Hα-helixtrans-59.8-44.2175.1176.20000110.9L54 I56 V187 I189 M193 T194 T195 R200 V201 L202 L217 P235L54-V198 HydrophobicContact CD2-CG1 4.29Å; I56-V198 HydrophobicContact CD1-CG1 3.99Å; V187-V198 HydrophobicContact CG2-CG1 4.29Å; I189-V198 HydrophobicContact CB-CG2 4.49Å; I189-V198 HydrophobicContact CD1-CG1 4.14Å; I189-V198 HydrophobicContact CD1-CG2 3.83Å; I189-V198 HydrophobicContact CG2-CG1 4.31Å; I189-V198 HydrophobicContact CG2-CG2 4.15Å; M193-V198 HydrophobicContact CB-CG2 3.77Å; M193-V198 HydrophobicContact CE-CG2 4.48Å; T194-V198 PolarHBondContact O-N 2.86Å; T195-V198 PolarHBondContact O-N 2.85Å; V198-R200 PolarHBondContact O-N 3.47Å; V198-V201 PolarHBondContact O-N 3.26Å; V198-L202 PolarHBondContact O-N 3Å; V198-L217 HydrophobicContact CG1-CD1 4.14Å; V198-P235 HydrophobicContact CB-CG 4.1Å; V198-P235 HydrophobicContact CG1-CB 4.48Å; V198-P235 HydrophobicContact CG1-CG 4.38Å; V198-P235 HydrophobicContact CG2-CB 4.32Å; V198-P235 HydrophobicContact CG2-CG 3.86Å
199L97.7Very high96Very high12 Ų1245.1 Ų45.16%0.06322%0.221CC..Hα-helixtrans-56.9-48.8175179.458.8000111.5T195 Q197 V201 L202 L203 P212 F215 L217 L253T195-L199 VanDerWaalsContact O-CB 3.32Å; T195-L199 WeakPolarHBondContact O-CB 3.35Å; T195-L199 PolarHBondContact O-N 3.2Å; Q197-L199 VanDerWaalsContact C-N 3.32Å; Q197-L199 PolarHBondContact O-N 2.82Å; L199-V201 VanDerWaalsContact C-N 3.35Å; L199-V201 PolarHBondContact O-N 2.99Å; L199-L202 WeakPolarHBondContact O-CB 3.33Å; L199-L202 PolarHBondContact O-N 3.05Å; L199-L203 HydrophobicContact CD1-CD1 4.15Å; L199-L203 HydrophobicContact CD1-CD2 4.4Å; L199-L203 HydrophobicContact CD1-CG 4.1Å; L199-L203 HydrophobicContact CG-CD1 4.07Å; L199-L203 HydrophobicContact CG-CG 4.38Å; L199-L203 WeakPolarHBondContact O-CG 3.45Å; L199-L203 PolarHBondContact O-N 2.9Å; L199-P212 HydrophobicContact CD2-CB 4.37Å; L199-P212 WeakPolarHBondContact CD2-O 3.11Å; L199-F215 HydrophobicContact CD1-CB 4.17Å; L199-F215 HydrophobicContact CD2-CB 4.41Å; L199-L217 HydrophobicContact CD1-CD2 4.42Å; L199-L253 HydrophobicContact CD1-CD1 3.25Å
200R97.1Very high95.6Very high129 Ų12947.1 Ų47.149%0.48723%0.232SC..Hα-helixtrans-61.3-39.6176.3-88.7179.4-70.1167.3-4.4113.3P196 Q197 V198 L202 L203 N204P196-R200 PolarHBondContact O-N 2.87Å; P196-R200 PolarHBondContact O-NE 2.71Å; P196-R200 VanDerWaalsContact O-NE 3.16Å; Q197-R200 PolarHBondContact O-N 2.85Å; V198-R200 PolarHBondContact O-N 3.47Å; R200-L202 VanDerWaalsContact C-N 3.28Å; R200-L202 PolarHBondContact O-N 3.06Å; R200-L203 PolarHBondContact O-N 3.06Å; R200-N204 WeakPolarHBondContact O-CB 3.38Å; R200-N204 PolarHBondContact O-N 3.34Å; R200-N204 PolarHBondContact O-ND2 3.06Å
201V97.6Very high95.4Very high51 Ų5147.2 Ų47.231%0.30924%0.236SC..Hα-helixtrans-58.6-44.7175.2169.90000110.5V187 M193 Q197 V198 L199 K205V187-V201 HydrophobicContact CB-CG1 4.1Å; V187-V201 HydrophobicContact CG1-CG1 4.25Å; M193-V201 HydrophobicContact CE-CG2 3.5Å; M193-V201 VanDerWaalsContact CE-CG2 3.5Å; Q197-V201 WeakPolarHBondContact O-CG2 3.32Å; Q197-V201 PolarHBondContact O-N 2.86Å; V198-V201 PolarHBondContact O-N 3.26Å; L199-V201 VanDerWaalsContact C-N 3.35Å; L199-V201 PolarHBondContact O-N 2.99Å; V201-K205 WeakPolarHBondContact O-CB 3.35Å; V201-K205 PolarHBondContact O-N 2.87Å
202L97.1Very high95.3Very high1 Ų149.2 Ų49.21%0.00525%0.249CC..Hα-helixtrans-63.1-51.8176.6179.464.3000111.9I56 T185 V187 V198 L199 R200 N204 K205 F206 L253I56-L202 HydrophobicContact CB-CD2 4.29Å; I56-L202 HydrophobicContact CD1-CB 4.48Å; I56-L202 HydrophobicContact CD1-CD2 3.94Å; I56-L202 HydrophobicContact CG2-CD2 3.82Å; T185-L202 HydrophobicContact CG2-CD1 3.46Å; T185-L202 VanDerWaalsContact CG2-CD1 3.46Å; V187-L202 HydrophobicContact CG1-CB 4.05Å; V187-L202 HydrophobicContact CG1-CD1 3.78Å; V198-L202 PolarHBondContact O-N 3Å; L199-L202 WeakPolarHBondContact O-CB 3.33Å; L199-L202 PolarHBondContact O-N 3.05Å; R200-L202 VanDerWaalsContact C-N 3.28Å; R200-L202 PolarHBondContact O-N 3.06Å; L202-N204 VanDerWaalsContact C-N 3.29Å; L202-N204 PolarHBondContact O-N 3.44Å; L202-K205 WeakPolarHBondContact O-CB 3.45Å; L202-K205 PolarHBondContact O-N 3.42Å; L202-F206 HydrophobicContact CD1-CD2 3.87Å; L202-F206 HydrophobicContact CD1-CE2 3.75Å; L202-F206 WeakPolarHBondContact O-CD2 3.44Å; L202-F206 PolarHBondContact O-N 3Å; L202-L253 HydrophobicContact CD2-CB 4.21Å; L202-L253 HydrophobicContact CD2-CD1 4.3Å; L202-L253 HydrophobicContact CD2-CD2 3.91Å; L202-L253 HydrophobicContact CD2-CG 4.38Å
203L95.8Very high95.2Very high6 Ų651 Ų513%0.03126%0.255CS..Hα-helixtrans-61.1-39.2-178.8-62.6-179.9000111.8L199 R200 F206 K207 I208 P212 F215 L253L199-L203 HydrophobicContact CD1-CD1 4.15Å; L199-L203 HydrophobicContact CD1-CD2 4.4Å; L199-L203 HydrophobicContact CD1-CG 4.1Å; L199-L203 HydrophobicContact CG-CD1 4.07Å; L199-L203 HydrophobicContact CG-CG 4.38Å; L199-L203 WeakPolarHBondContact O-CG 3.45Å; L199-L203 PolarHBondContact O-N 2.9Å; R200-L203 PolarHBondContact O-N 3.06Å; L203-F206 CarbonylContact O-C 3.54Å; L203-F206 PolarHBondContact O-N 3.39Å; L203-K207 PolarHBondContact O-N 3.47Å; L203-I208 HydrophobicContact CB-CB 4.25Å; L203-I208 HydrophobicContact CD2-CB 4.06Å; L203-I208 HydrophobicContact CD2-CD1 3.43Å; L203-I208 VanDerWaalsContact CD2-CD1 3.43Å; L203-I208 HydrophobicContact CD2-CG1 4.3Å; L203-I208 HydrophobicContact CD2-CG2 4.11Å; L203-I208 PolarHBondContact O-N 2.91Å; L203-P212 HydrophobicContact CD1-CB 3.8Å; L203-F215 HydrophobicContact CD1-CD2 4Å; L203-F215 HydrophobicContact CD1-CE2 4.43Å; L203-F215 HydrophobicContact CD2-CD2 3.96Å; L203-F215 HydrophobicContact CD2-CE2 4.08Å; L203-L253 HydrophobicContact CD2-CD2 4.41Å
204N95.6Very high95.1Very high100 Ų10053 Ų5354%0.53527%0.266SS..Hα-helixtrans-69-36.9176.9-72.5-16.6000112.9R200 L202 F206 K207R200-N204 WeakPolarHBondContact O-CB 3.38Å; R200-N204 PolarHBondContact O-N 3.34Å; R200-N204 PolarHBondContact O-ND2 3.06Å; L202-N204 VanDerWaalsContact C-N 3.29Å; L202-N204 PolarHBondContact O-N 3.44Å; N204-F206 PolarHBondContact O-N 2.96Å; N204-K207 WeakPolarHBondContact O-CD 3.21Å; N204-K207 PolarHBondContact O-N 3.33Å
205K94.8Very high95.1Very high102 Ų10251.8 Ų51.844%0.44326%0.259SS..Hα-helixtrans-58.1-39.5175.3-178.8-175.8177.7-168.50110.9T185 N186 V187 V201 L202T185-K205 PolarHBondContact OG1-NZ 2.96Å; T185-K205 VanDerWaalsContact OG1-NZ 3.16Å; N186-K205 PolarHBondContact O-NZ 3Å; N186-K205 PolarHBondContact OD1-NZ 2.95Å; V187-K205 HydrophobicContact CG1-CD 4.26Å; V201-K205 WeakPolarHBondContact O-CB 3.35Å; V201-K205 PolarHBondContact O-N 2.87Å; L202-K205 WeakPolarHBondContact O-CB 3.45Å; L202-K205 PolarHBondContact O-N 3.42Å
206F91.9Very high95Very high48 Ų4851.8 Ų51.821%0.21126%0.259CS..THydrogen-bonded Turntrans-95.92.5-179.9-72.7-85.8000114.1W58 L66 T185 L202 L203 N204 I208W58-F206 HydrophobicContact CH2-CB 4.47Å; W58-F206 HydrophobicContact CH2-CD1 4.46Å; W58-F206 AromaticContact CH2-CD2 3.98Å; W58-F206 HydrophobicContact CH2-CD2 3.98Å; W58-F206 HydrophobicContact CH2-CE2 4.36Å; W58-F206 HydrophobicContact CH2-CG 4.04Å; W58-F206 HydrophobicContact CZ2-CD1 4.05Å; W58-F206 AromaticContact CZ2-CD2 3.72Å; W58-F206 HydrophobicContact CZ2-CD2 3.72Å; W58-F206 AromaticContact CZ2-CE1 3.98Å; W58-F206 HydrophobicContact CZ2-CE1 3.98Å; W58-F206 AromaticContact CZ2-CE2 3.65Å; W58-F206 HydrophobicContact CZ2-CE2 3.65Å; W58-F206 AromaticContact CZ2-CG 3.93Å; W58-F206 HydrophobicContact CZ2-CG 3.93Å; W58-F206 AromaticContact CZ2-CZ 3.78Å; W58-F206 HydrophobicContact CZ2-CZ 3.78Å; L66-F206 WeakPolarHBondContact CD2-O 2.94Å; T185-F206 HydrophobicContact CG2-CE2 3.74Å; T185-F206 HydrophobicContact CG2-CZ 4.08Å; T185-F206 WeakPolarHBondContact OG1-CE2 3.39Å; T185-F206 VanDerWaalsContact OG1-CZ 3.28Å; T185-F206 WeakPolarHBondContact OG1-CZ 3.2Å; L202-F206 HydrophobicContact CD1-CD2 3.87Å; L202-F206 HydrophobicContact CD1-CE2 3.75Å; L202-F206 WeakPolarHBondContact O-CD2 3.44Å; L202-F206 PolarHBondContact O-N 3Å; L203-F206 CarbonylContact O-C 3.54Å; L203-F206 PolarHBondContact O-N 3.39Å; N204-F206 PolarHBondContact O-N 2.96Å; F206-I208 VanDerWaalsContact C-N 3.3Å; F206-I208 HydrophobicContact CB-CD1 4Å; F206-I208 HydrophobicContact CB-CG1 3.95Å; F206-I208 PolarHBondContact O-N 2.91Å
207K92.8Very high95.1Very high122 Ų12250.7 Ų50.753%0.5325%0.252SS..THydrogen-bonded Turntrans53.544.7-177.7-55.6-63.2179.7-176.20112.5L66 Q67 L203 N204L66-K207 CarbonylContact C-O 3.5Å; L66-K207 VanDerWaalsContact CA-O 3.3Å; L66-K207 WeakPolarHBondContact CA-O 3.41Å; Q67-K207 HydrophobicContact CB-CB 4.31Å; Q67-K207 WeakPolarHBondContact CG-O 3.32Å; Q67-K207 PolarHBondContact N-O 3.36Å; L203-K207 PolarHBondContact O-N 3.47Å; N204-K207 WeakPolarHBondContact O-CD 3.21Å; N204-K207 PolarHBondContact O-N 3.33Å
208I93.1Very high95.1Very high9 Ų947 Ų475%0.04624%0.235CC..BIsolated β-bridgetrans-72.9131.6179.9-65.8170.4000109.5W58 I64 R65 L66 L203 F206 N210 F215W58-I208 HydrophobicContact CH2-CD1 3.95Å; W58-I208 HydrophobicContact CZ3-CD1 4.15Å; I64-I208 HydrophobicContact CD1-CD1 3.49Å; I64-I208 VanDerWaalsContact CD1-CD1 3.49Å; I64-I208 HydrophobicContact CD1-CG1 3.9Å; I64-I208 HydrophobicContact CD1-CG2 4.42Å; R65-I208 WeakPolarHBondContact O-CA 3.48Å; L66-I208 HydrophobicContact CD2-CG1 4.02Å; L203-I208 HydrophobicContact CB-CB 4.25Å; L203-I208 HydrophobicContact CD2-CB 4.06Å; L203-I208 HydrophobicContact CD2-CD1 3.43Å; L203-I208 VanDerWaalsContact CD2-CD1 3.43Å; L203-I208 HydrophobicContact CD2-CG1 4.3Å; L203-I208 HydrophobicContact CD2-CG2 4.11Å; L203-I208 PolarHBondContact O-N 2.91Å; F206-I208 VanDerWaalsContact C-N 3.3Å; F206-I208 HydrophobicContact CB-CD1 4Å; F206-I208 HydrophobicContact CB-CG1 3.95Å; F206-I208 PolarHBondContact O-N 2.91Å; I208-N210 HydrophobicContact CG2-CB 3.85Å; I208-F215 HydrophobicContact CG2-CE2 4.15Å; I208-F215 HydrophobicContact CG2-CZ 4.33Å
209E90.9Very high95Very high79 Ų7947.8 Ų47.837%0.36924%0.239SC..  trans-83.7-27.8-179.4-180178.8-140.200112.6R65 Q67 R136R65-E209 HydrophobicContact CB-CB 4.04Å; R65-E209 WeakPolarHBondContact CD-OE2 3.21Å; R65-E209 PolarHBondContact O-N 3.47Å; Q67-E209 HydrophobicContact CG-CB 4.09Å; R136-E209 IonicContact CZ-OE1 3.74Å; R136-E209 IonicContact CZ-OE2 2.74Å; R136-E209 VanDerWaalsContact NH1-CD 3.31Å; R136-E209 IonicContact NH1-OE1 3.89Å; R136-E209 PolarHBondContact NH1-OE1 2.83Å; R136-E209 IonicContact NH1-OE2 2.86Å; R136-E209 PolarHBondContact NH1-OE2 2.87Å; R136-E209 IonicContact NH2-OE1 2.67Å; R136-E209 PolarHBondContact NH2-OE1 2.77Å; R136-E209 IonicContact NH2-OE2 3.04Å
210N90.4Very high94.9Very high50 Ų5048.7 Ų48.727%0.26725%0.245SC..SBendtrans-58.4156.5179.3-70.393.8000113.1R65 I208 F215R65-N210 PolarHBondContact N-OD1 2.76Å; I208-N210 HydrophobicContact CG2-CB 3.85Å; N210-F215 HydrophobicContact CB-CE2 3.52Å; N210-F215 HydrophobicContact CB-CZ 3.66Å
211S91.8Very high94.8Very high47 Ų4744.1 Ų44.133%0.32923%0.229SC..  trans-66140.7177.4-178.40000109.9D213 D214 F215S211-D213 PolarHBondContact O-N 2.77Å; S211-D213 VanDerWaalsContact O-N 3.17Å; S211-D213 PolarHBondContact OG-N 2.78Å; S211-D214 PolarHBondContact N-OD2 2.86Å; S211-D214 VanDerWaalsContact N-OD2 3.15Å; S211-D214 WeakPolarHBondContact O-CB 3.41Å; S211-D214 PolarHBondContact O-N 2.89Å; S211-F215 VanDerWaalsContact O-CD2 3.3Å; S211-F215 WeakPolarHBondContact O-CD2 3.3Å; S211-F215 WeakPolarHBondContact O-CE2 3.41Å
212P93.4Very high94.6Very high49 Ų4946.1 Ų46.132%0.31824%0.241SC..G310 helixtrans-59-24.1170.225.9-34.9000112.7L199 L203 D214 F215L199-P212 HydrophobicContact CD2-CB 4.37Å; L199-P212 WeakPolarHBondContact CD2-O 3.11Å; L203-P212 HydrophobicContact CD1-CB 3.8Å; P212-D214 PolarHBondContact O-N 3.16Å; P212-F215 PolarHBondContact O-N 2.77Å; P212-F215 VanDerWaalsContact O-O 3.07Å
213D94Very high94.3Very high93 Ų9347.6 Ų47.650%0.49725%0.252SS..G310 helixtrans-76.2-9.2177.6-59.3-40.2000113.1S211 F215 R231 Q256S211-D213 PolarHBondContact O-N 2.77Å; S211-D213 VanDerWaalsContact O-N 3.17Å; S211-D213 PolarHBondContact OG-N 2.78Å; D213-F215 PolarHBondContact O-N 2.95Å; D213-R231 IonicContact OD1-NH1 3.15Å; D213-Q256 PolarHBondContact O-OE1 3.37Å
214D94.2Very high94Very high72 Ų7248.7 Ų48.739%0.38526%0.264SS..G310 helixtrans-76.6-10.9171.3-60-24.9000111.3S211 P212 E255 Q256S211-D214 PolarHBondContact N-OD2 2.86Å; S211-D214 VanDerWaalsContact N-OD2 3.15Å; S211-D214 WeakPolarHBondContact O-CB 3.41Å; S211-D214 PolarHBondContact O-N 2.89Å; P212-D214 PolarHBondContact O-N 3.16Å; D214-E255 WeakPolarHBondContact O-CA 3.44Å; D214-Q256 PolarHBondContact O-N 3.15Å
215F96.6Very high93.9Very high6 Ų646.8 Ų46.83%0.02625%0.252CS..EExtended strand (participates in β ladder)trans-128.4153.9-172.3-51-73.7000112.5L60 I64 L199 L203 I208 N210 S211 P212 D213 L253 M254L60-F215 HydrophobicContact CD1-CE1 4.16Å; L60-F215 HydrophobicContact CD2-CD1 3.73Å; L60-F215 HydrophobicContact CD2-CE1 3.78Å; I64-F215 HydrophobicContact CG2-CE1 3.74Å; I64-F215 HydrophobicContact CG2-CZ 3.71Å; L199-F215 HydrophobicContact CD1-CB 4.17Å; L199-F215 HydrophobicContact CD2-CB 4.41Å; L203-F215 HydrophobicContact CD1-CD2 4Å; L203-F215 HydrophobicContact CD1-CE2 4.43Å; L203-F215 HydrophobicContact CD2-CD2 3.96Å; L203-F215 HydrophobicContact CD2-CE2 4.08Å; I208-F215 HydrophobicContact CG2-CE2 4.15Å; I208-F215 HydrophobicContact CG2-CZ 4.33Å; N210-F215 HydrophobicContact CB-CE2 3.52Å; N210-F215 HydrophobicContact CB-CZ 3.66Å; S211-F215 VanDerWaalsContact O-CD2 3.3Å; S211-F215 WeakPolarHBondContact O-CD2 3.3Å; S211-F215 WeakPolarHBondContact O-CE2 3.41Å; P212-F215 PolarHBondContact O-N 2.77Å; P212-F215 VanDerWaalsContact O-O 3.07Å; D213-F215 PolarHBondContact O-N 2.95Å; F215-L253 HydrophobicContact CB-CD1 3.76Å; F215-L253 HydrophobicContact CG-CD1 4.3Å; F215-M254 WeakPolarHBondContact CA-O 3.09Å
216A97.3Very high93.9Very high8 Ų844.1 Ų44.17%0.06624%0.24CC..EExtended strand (participates in β ladder)trans-142156.8168.400000111.2Y218 K228 M254A216-Y218 HydrophobicContact CB-CD2 4.36Å; A216-Y218 HydrophobicContact CB-CE2 3.68Å; A216-K228 HydrophobicContact CB-CD 4.42Å; A216-K228 HydrophobicContact CB-CG 4.28Å; A216-M254 PolarHBondContact N-O 2.82Å; A216-M254 PolarHBondContact O-N 2.73Å
217L98.1Very high94.1Very high0 Ų043.7 Ų43.70%025%0.245CC..EExtended strand (participates in β ladder)trans-89.4135.8171.7-62.3-175.9000109.6I56 T195 V198 L199 L229 P235 I251 F252 L253I56-L217 HydrophobicContact CG2-CD2 4.19Å; T195-L217 HydrophobicContact CG2-CB 4.11Å; T195-L217 HydrophobicContact CG2-CD1 4.07Å; T195-L217 HydrophobicContact CG2-CG 4.23Å; V198-L217 HydrophobicContact CG1-CD1 4.14Å; L199-L217 HydrophobicContact CD1-CD2 4.42Å; L217-L229 HydrophobicContact CB-CB 4.28Å; L217-L229 HydrophobicContact CB-CD2 4.17Å; L217-L229 PolarHBondContact O-N 3.17Å; L217-P235 HydrophobicContact CD1-CG 4.29Å; L217-I251 HydrophobicContact CB-CG2 4.32Å; L217-I251 HydrophobicContact CD1-CG2 4.49Å; L217-I251 HydrophobicContact CD2-CG2 4.48Å; L217-F252 CarbonylContact C-O 3.43Å; L217-F252 VanDerWaalsContact CA-O 3.27Å; L217-F252 WeakPolarHBondContact CA-O 3.32Å; L217-L253 HydrophobicContact CD2-CB 4.31Å; L217-L253 HydrophobicContact CD2-CD1 3.97Å
218Y97.9Very high94.3Very high2 Ų241.1 Ų41.11%0.00823%0.234CC..EExtended strand (participates in β ladder)trans-124.6136.8177.2-71.5-99.9000110.2A216 R226 A227 K228 I251 F252 M254 G259 E261A216-Y218 HydrophobicContact CB-CD2 4.36Å; A216-Y218 HydrophobicContact CB-CE2 3.68Å; Y218-R226 HydrophobicContact CD1-CG 3.81Å; Y218-R226 HydrophobicContact CG-CG 4.41Å; Y218-A227 CarbonylContact C-O 3.37Å; Y218-A227 VanDerWaalsContact CA-O 3.32Å; Y218-A227 WeakPolarHBondContact CA-O 3.45Å; Y218-K228 HydrophobicContact CD1-CB 3.91Å; Y218-K228 HydrophobicContact CD1-CG 4.4Å; Y218-K228 HydrophobicContact CE1-CB 3.53Å; Y218-K228 HydrophobicContact CE1-CD 4.35Å; Y218-K228 HydrophobicContact CE1-CG 3.87Å; Y218-K228 HydrophobicContact CE2-CG 4.34Å; Y218-I251 CarbonylContact O-C 3.51Å; Y218-I251 WeakPolarHBondContact O-CA 3.22Å; Y218-F252 PolarHBondContact N-O 2.98Å; Y218-F252 PolarHBondContact O-N 2.75Å; Y218-M254 HydrophobicContact CD2-CB 3.73Å; Y218-M254 HydrophobicContact CD2-CG 4.02Å; Y218-M254 HydrophobicContact CD2-SD 3.98Å; Y218-M254 HydrophobicContact CE2-CB 3.92Å; Y218-M254 HydrophobicContact CG-SD 4.04Å; Y218-G259 WeakPolarHBondContact CE1-O 3.33Å; Y218-G259 WeakPolarHBondContact OH-CA 3.43Å; Y218-G259 PolarHBondContact OH-O 3.16Å; Y218-E261 HydrophobicContact CE1-CG 4.47Å
219L97.2Very high94.5Very high18 Ų1841.2 Ų41.29%0.09423%0.234CC..EExtended strand (participates in β ladder)trans-89.1121.2166.5-178.965.5000107.8H221 R226 A227 L229 Q242 I251L219-H221 WeakPolarHBondContact CD2-NE2 3.41Å; L219-R226 CarbonylContact O-C 3.52Å; L219-R226 WeakPolarHBondContact O-CA 3.27Å; L219-A227 PolarHBondContact N-O 2.97Å; L219-A227 PolarHBondContact O-N 2.96Å; L219-L229 HydrophobicContact CB-CD1 3.82Å; L219-L229 VanDerWaalsContact N-CD1 3.29Å; L219-Q242 HydrophobicContact CD1-CG 4.4Å; L219-Q242 HydrophobicContact CD2-CG 3.86Å; L219-I251 HydrophobicContact CD1-CG1 4.18Å
220V96.1Very high94.7Very high31 Ų3143.4 Ų43.419%0.18824%0.242CC..EExtended strand (participates in β ladder)trans-117.7125.8179.5-176.60000109E225 R226 S249 R250 F252 M254V220-E225 WeakPolarHBondContact CA-O 3.34Å; V220-R226 HydrophobicContact CG2-CB 4.35Å; V220-R226 HydrophobicContact CG2-CG 3.98Å; V220-S249 CarbonylContact O-C 3.52Å; V220-S249 VanDerWaalsContact O-CA 3.31Å; V220-S249 WeakPolarHBondContact O-CA 3.46Å; V220-R250 PolarHBondContact N-O 3.33Å; V220-R250 PolarHBondContact O-N 2.7Å; V220-F252 HydrophobicContact CB-CD2 3.81Å; V220-F252 HydrophobicContact CB-CE2 3.92Å; V220-F252 HydrophobicContact CG1-CE2 4.46Å; V220-F252 HydrophobicContact CG2-CD2 3.56Å; V220-F252 HydrophobicContact CG2-CE2 4.08Å; V220-F252 HydrophobicContact CG2-CG 4.31Å; V220-M254 HydrophobicContact CG2-CE 4Å
221H94.8Very high94.9Very high32 Ų3249.1 Ų49.115%0.14826%0.26CS..EExtended strand (participates in β ladder)trans-100159.4176.3-73-92.4000111.9L219 S223 G224 E225 Q242 V248L219-H221 WeakPolarHBondContact CD2-NE2 3.41Å; H221-S223 WeakPolarHBondContact CB-OG 3.24Å; H221-S223 PolarHBondContact O-N 3.21Å; H221-G224 PolarHBondContact O-N 3.23Å; H221-E225 HydrophobicContact CB-CB 4.23Å; H221-E225 PolarHBondContact N-O 3.41Å; H221-Q242 PolarHBondContact CE1-OE1 3.43Å; H221-Q242 VanDerWaalsContact CE1-OE1 3.23Å; H221-V248 WeakPolarHBondContact CA-O 3.22Å
222T92.8Very high95.1Very high93 Ų9347.9 Ų47.957%0.57125%0.252SS*.THydrogen-bonded Turntrans-61-25.5172.145.80000114.9G224 Q247 V248T222-G224 PolarHBondContact O-N 3.46Å; T222-Q247 WeakPolarHBondContact CG2-O 3.44Å; T222-V248 PolarHBondContact N-O 2.95Å
223S91.1Very high95.3Very high33 Ų3346.8 Ų46.823%0.23124%0.243CC..THydrogen-bonded Turntrans-58.7-24.1172.754.90000111.7H221 E225H221-S223 WeakPolarHBondContact CB-OG 3.24Å; H221-S223 PolarHBondContact O-N 3.21Å; S223-E225 WeakPolarHBondContact OG-CB 3.24Å; S223-E225 PolarHBondContact OG-N 3.21Å
224G89.8Confident95.4Very high28 Ų2843.8 Ų43.829%0.28923%0.225SC..SBendtrans97.8-4.5-168.400000112.7H221 T222 R226 V262 A267H221-G224 PolarHBondContact O-N 3.23Å; T222-G224 PolarHBondContact O-N 3.46Å; G224-R226 PolarHBondContact O-N 3.45Å; G224-V262 WeakPolarHBondContact O-CG1 3.46Å; G224-A267 VanDerWaalsContact C-CB 3.41Å
225E93.8Very high95.6Very high60 Ų6040.4 Ų40.428%0.2821%0.207SC..  trans-61.5134.1172.5-178.8-177.3-176.300109.7V220 H221 S223 V262V220-E225 WeakPolarHBondContact CA-O 3.34Å; H221-E225 HydrophobicContact CB-CB 4.23Å; H221-E225 PolarHBondContact N-O 3.41Å; S223-E225 WeakPolarHBondContact OG-CB 3.24Å; S223-E225 PolarHBondContact OG-N 3.21Å; E225-V262 WeakPolarHBondContact CA-O 3.5Å; E225-V262 WeakPolarHBondContact CG-O 3.42Å
226R95.1Very high95.6Very high47 Ų4740.2 Ų40.218%0.17721%0.206CC..EExtended strand (participates in β ladder)trans-137.7113.1-179.7174.6166.349.1-164.1-11.4109.1Y218 L219 V220 G224 E260 E261 V262Y218-R226 HydrophobicContact CD1-CG 3.81Å; Y218-R226 HydrophobicContact CG-CG 4.41Å; L219-R226 CarbonylContact O-C 3.52Å; L219-R226 WeakPolarHBondContact O-CA 3.27Å; V220-R226 HydrophobicContact CG2-CB 4.35Å; V220-R226 HydrophobicContact CG2-CG 3.98Å; G224-R226 PolarHBondContact O-N 3.45Å; R226-E260 PolarHBondContact NE-O 2.88Å; R226-E261 CarbonylContact O-C 3.53Å; R226-E261 WeakPolarHBondContact O-CA 3.29Å; R226-V262 HydrophobicContact CB-CB 4.14Å; R226-V262 HydrophobicContact CB-CG2 4.43Å; R226-V262 PolarHBondContact N-O 2.95Å; R226-V262 PolarHBondContact O-N 2.92Å
227A95.8Very high95.6Very high39 Ų3940 Ų4032%0.32220%0.204SC..EExtended strand (participates in β ladder)trans-116.2131.1-178.800000110.5Y218 L219Y218-A227 CarbonylContact C-O 3.37Å; Y218-A227 VanDerWaalsContact CA-O 3.32Å; Y218-A227 WeakPolarHBondContact CA-O 3.45Å; L219-A227 PolarHBondContact N-O 2.97Å; L219-A227 PolarHBondContact O-N 2.96Å
228K96.9Very high95.5Very high68 Ų6841.5 Ų41.530%0.29621%0.212SC..EExtended strand (participates in β ladder)trans-72.6131.5172.5-169.6177.5178.7169.40109.7A216 Y218 E261A216-K228 HydrophobicContact CB-CD 4.42Å; A216-K228 HydrophobicContact CB-CG 4.28Å; Y218-K228 HydrophobicContact CD1-CB 3.91Å; Y218-K228 HydrophobicContact CD1-CG 4.4Å; Y218-K228 HydrophobicContact CE1-CB 3.53Å; Y218-K228 HydrophobicContact CE1-CD 4.35Å; Y218-K228 HydrophobicContact CE1-CG 3.87Å; Y218-K228 HydrophobicContact CE2-CG 4.34Å; K228-E261 HydrophobicContact CB-CG 4.09Å; K228-E261 WeakPolarHBondContact CB-OE1 3.47Å
229L96.3Very high95.5Very high11 Ų1141.6 Ų41.66%0.05821%0.212CC..PPolyproline II helixtrans-72.6131.3172-81.567.7000109.3T195 L217 L219 P235 L238T195-L229 HydrophobicContact CG2-CB 3.83Å; L217-L229 HydrophobicContact CB-CB 4.28Å; L217-L229 HydrophobicContact CB-CD2 4.17Å; L217-L229 PolarHBondContact O-N 3.17Å; L219-L229 HydrophobicContact CB-CD1 3.82Å; L219-L229 VanDerWaalsContact N-CD1 3.29Å; L229-P235 HydrophobicContact CD2-CB 4.06Å; L229-P235 HydrophobicContact CD2-CG 3.95Å; L229-L238 HydrophobicContact CD2-CD1 3.79Å; L229-L238 HydrophobicContact CG-CD1 3.86Å
230K95.4Very high95.5Very high124 Ų12440.8 Ų40.854%0.53921%0.208SC..PPolyproline II helixtrans-72.9160.8176.7-58.2-178.4180-172.50110.3T195 S232 D233T195-K230 WeakPolarHBondContact CB-O 3.4Å; T195-K230 PolarHBondContact OG1-O 2.77Å; K230-S232 PolarHBondContact O-N 3.04Å; K230-D233 WeakPolarHBondContact CB-OD2 3.37Å; K230-D233 PolarHBondContact N-OD2 3.41Å; K230-D233 PolarHBondContact O-N 2.91Å
231R95.6Very high95.5Very high171 Ų17141.2 Ų41.265%0.64521%0.209SC*.THydrogen-bonded Turntrans-62.7-27.8177.7-64.8-179.36590.4-3.3112.9P196 D213P196-R231 WeakPolarHBondContact CD-O 3.36Å; P196-R231 HydrophobicContact CG-CB 3.99Å; P196-R231 HydrophobicContact CG-CG 4.22Å; D213-R231 IonicContact OD1-NH1 3.15Å
232S96Very high95.5Very high21 Ų2143.4 Ų43.415%0.14722%0.219CC..THydrogen-bonded Turntrans-91.6-6.7-179.447.30000114.1G11 D12 K230 Y234G11-S232 WeakPolarHBondContact CA-O 3.33Å; D12-S232 WeakPolarHBondContact OD1-CB 3.44Å; D12-S232 PolarHBondContact OD1-OG 2.9Å; D12-S232 VanDerWaalsContact OD2-CB 3.31Å; D12-S232 WeakPolarHBondContact OD2-CB 3.33Å; D12-S232 PolarHBondContact OD2-OG 3Å; K230-S232 PolarHBondContact O-N 3.04Å; S232-Y234 WeakPolarHBondContact O-CE2 3.46Å
233D96.4Very high95.7Very high25 Ų2539.9 Ų39.913%0.13420%0.202CC..  trans-75.8158.5178.6-67.3-21.8000111.2T194 T195 K230 P235 L238T194-D233 CarbonylContact C-O 3.49Å; T194-D233 VanDerWaalsContact CA-O 3.31Å; T194-D233 WeakPolarHBondContact CA-O 3.49Å; T195-D233 PolarHBondContact N-O 3.3Å; T195-D233 PolarHBondContact OG1-O 2.91Å; K230-D233 WeakPolarHBondContact CB-OD2 3.37Å; K230-D233 PolarHBondContact N-OD2 3.41Å; K230-D233 PolarHBondContact O-N 2.91Å; D233-P235 WeakPolarHBondContact O-CD 3.3Å; D233-L238 HydrophobicContact CB-CD1 3.83Å
234Y97.1Very high95.9Very high31 Ų3139.1 Ų39.112%0.12220%0.196CC..  trans-114.896.8-179.5-62.7-87.4000110.3Q9 S191 T194 S232 L236 V237 L238Q9-Y234 HydrophobicContact CB-CE2 3.97Å; Q9-Y234 HydrophobicContact CG-CE2 3.78Å; Q9-Y234 WeakPolarHBondContact O-CD2 3.38Å; Q9-Y234 PolarHBondContact OE1-OH 2.82Å; S191-Y234 WeakPolarHBondContact O-CD1 3.28Å; T194-Y234 HydrophobicContact CG2-CD1 4.29Å; T194-Y234 HydrophobicContact CG2-CE1 3.75Å; S232-Y234 WeakPolarHBondContact O-CE2 3.46Å; Y234-L236 VanDerWaalsContact C-N 3.3Å; Y234-L236 PolarHBondContact O-N 2.65Å; Y234-V237 PolarHBondContact O-N 3.16Å; Y234-V237 VanDerWaalsContact O-N 3.08Å; Y234-L238 PolarHBondContact O-N 2.87Å
235P97.6Very high96.2Very high0 Ų039 Ų390%019%0.191CC..Hα-helixtrans-57.5-35.2-169.5-27.934.7000115.2L54 M193 V198 L217 L229 D233 R239 I251L54-P235 HydrophobicContact CD2-CB 3.84Å; M193-P235 WeakPolarHBondContact O-CD 3.39Å; V198-P235 HydrophobicContact CB-CG 4.1Å; V198-P235 HydrophobicContact CG1-CB 4.48Å; V198-P235 HydrophobicContact CG1-CG 4.38Å; V198-P235 HydrophobicContact CG2-CB 4.32Å; V198-P235 HydrophobicContact CG2-CG 3.86Å; L217-P235 HydrophobicContact CD1-CG 4.29Å; L229-P235 HydrophobicContact CD2-CB 4.06Å; L229-P235 HydrophobicContact CD2-CG 3.95Å; D233-P235 WeakPolarHBondContact O-CD 3.3Å; P235-R239 WeakPolarHBondContact O-CB 3.2Å; P235-R239 PolarHBondContact O-N 2.99Å; P235-I251 HydrophobicContact CB-CD1 4.48Å
236L97.7Very high96.3Very high2 Ų237.8 Ų37.81%0.0119%0.185CC..Hα-helixtrans-68-42.8178.2-169.963.5000111.5L39 V50 L54 I189 Y234 R239 V240L39-L236 HydrophobicContact CD1-CD1 4.06Å; L39-L236 HydrophobicContact CD2-CD1 4Å; V50-L236 HydrophobicContact CB-CD2 4.45Å; V50-L236 HydrophobicContact CG1-CD2 4.28Å; V50-L236 VanDerWaalsContact O-CD2 3.31Å; V50-L236 WeakPolarHBondContact O-CD2 3.45Å; L54-L236 HydrophobicContact CB-CD1 4.39Å; L54-L236 HydrophobicContact CD1-CD1 4.48Å; I189-L236 HydrophobicContact CD1-CB 3.76Å; I189-L236 HydrophobicContact CD1-CD1 4.24Å; I189-L236 HydrophobicContact CD1-CG 4.46Å; I189-L236 HydrophobicContact CG1-CB 4.2Å; I189-L236 HydrophobicContact CG1-CD1 4.17Å; I189-L236 HydrophobicContact CG1-CD2 4.34Å; I189-L236 HydrophobicContact CG1-CG 4.47Å; Y234-L236 VanDerWaalsContact C-N 3.3Å; Y234-L236 PolarHBondContact O-N 2.65Å; L236-R239 WeakPolarHBondContact O-CB 3.19Å; L236-R239 PolarHBondContact O-N 3.29Å; L236-V240 WeakPolarHBondContact O-CG2 3.34Å; L236-V240 PolarHBondContact O-N 3.23Å
237V96.5Very high96.2Very high5 Ų543.5 Ų43.53%0.0321%0.214CC..Hα-helixtrans-66.7-43.6178.2-172.60000109.9V8 I10 Y234 R239 V240 L241V8-V237 HydrophobicContact CG1-CG1 4.49Å; I10-V237 HydrophobicContact CG2-CG1 3.71Å; Y234-V237 PolarHBondContact O-N 3.16Å; Y234-V237 VanDerWaalsContact O-N 3.08Å; V237-R239 VanDerWaalsContact C-N 3.31Å; V237-R239 PolarHBondContact O-N 2.87Å; V237-V240 PolarHBondContact O-N 3.11Å; V237-V240 VanDerWaalsContact O-N 3.16Å; V237-L241 HydrophobicContact CG1-CD1 4.25Å; V237-L241 WeakPolarHBondContact O-CG 3.41Å; V237-L241 PolarHBondContact O-N 3.31Å
238L96.4Very high96.2Very high31 Ų3145.1 Ų45.116%0.16222%0.219CC..Hα-helixtrans-54.7-46.1172.3-73.8175.3000111.6L229 D233 Y234 V240 L241 Q242L229-L238 HydrophobicContact CD2-CD1 3.79Å; L229-L238 HydrophobicContact CG-CD1 3.86Å; D233-L238 HydrophobicContact CB-CD1 3.83Å; Y234-L238 PolarHBondContact O-N 2.87Å; L238-V240 VanDerWaalsContact C-N 3.35Å; L238-V240 PolarHBondContact O-N 3.38Å; L238-L241 PolarHBondContact O-N 2.87Å; L238-Q242 WeakPolarHBondContact O-CB 3.44Å; L238-Q242 VanDerWaalsContact O-CG 3.23Å; L238-Q242 WeakPolarHBondContact O-CG 3.3Å; L238-Q242 PolarHBondContact O-N 2.81Å
239R97.3Very high96.1Very high3 Ų341.9 Ų41.91%0.01121%0.206CC..Hα-helixtrans-60.1-42.4177.2-176.668.9-107.3-171.83.6112.5Y28 L54 P235 L236 V237 L241 Q242 G243 C245 E246 S249 I251Y28-R239 HydrophobicContact CE2-CG 3.99Å; L54-R239 HydrophobicContact CD1-CB 3.64Å; L54-R239 HydrophobicContact CD1-CG 3.62Å; P235-R239 WeakPolarHBondContact O-CB 3.2Å; P235-R239 PolarHBondContact O-N 2.99Å; L236-R239 WeakPolarHBondContact O-CB 3.19Å; L236-R239 PolarHBondContact O-N 3.29Å; V237-R239 VanDerWaalsContact C-N 3.31Å; V237-R239 PolarHBondContact O-N 2.87Å; R239-L241 VanDerWaalsContact C-N 3.34Å; R239-Q242 PolarHBondContact O-N 3.39Å; R239-G243 PolarHBondContact NE-O 3.17Å; R239-G243 PolarHBondContact NH2-O 3.25Å; R239-G243 PolarHBondContact O-N 3.41Å; R239-G243 VanDerWaalsContact O-N 3.15Å; R239-C245 PolarHBondContact NH2-O 3.37Å; R239-E246 IonicContact NH1-OE1 2.92Å; R239-E246 IonicContact NH1-OE2 3.89Å; R239-E246 PolarHBondContact NH1-OE2 3.34Å; R239-S249 PolarHBondContact NH1-O 3.41Å; R239-S249 PolarHBondContact NH2-O 2.78Å; R239-S249 PolarHBondContact NH2-OG 2.59Å; R239-I251 HydrophobicContact CB-CD1 4.4Å
240V97.1Very high96.2Very high2 Ų244.7 Ų44.71%0.01222%0.215CC..Hα-helixtrans-61.1-44.5177170.30000110.9H24 L25 L39 L236 V237 L238 G243H24-V240 HydrophobicContact CB-CG1 3.69Å; L25-V240 HydrophobicContact CB-CG1 4.28Å; L25-V240 HydrophobicContact CD1-CG2 4.39Å; L39-V240 HydrophobicContact CD1-CG2 3.46Å; L39-V240 VanDerWaalsContact CD1-CG2 3.46Å; L236-V240 WeakPolarHBondContact O-CG2 3.34Å; L236-V240 PolarHBondContact O-N 3.23Å; V237-V240 PolarHBondContact O-N 3.11Å; V237-V240 VanDerWaalsContact O-N 3.16Å; L238-V240 VanDerWaalsContact C-N 3.35Å; L238-V240 PolarHBondContact O-N 3.38Å; V240-G243 PolarHBondContact O-N 3.03Å
241L95.9Very high96.3Very high40 Ų4038.8 Ų38.821%0.20919%0.19CC..Hα-helixtrans-67.7-38.2179.5-64.1171.9000112.6I10 I16 V237 L238 R239 G243I10-L241 HydrophobicContact CG2-CD1 4.22Å; I16-L241 HydrophobicContact CD1-CD1 3.64Å; I16-L241 HydrophobicContact CD1-CD2 3.93Å; I16-L241 HydrophobicContact CD1-CG 4.46Å; V237-L241 HydrophobicContact CG1-CD1 4.25Å; V237-L241 WeakPolarHBondContact O-CG 3.41Å; V237-L241 PolarHBondContact O-N 3.31Å; L238-L241 PolarHBondContact O-N 2.87Å; R239-L241 VanDerWaalsContact C-N 3.34Å; L241-G243 PolarHBondContact O-N 3.24Å
242Q95.4Very high96.4Very high77 Ų7731.2 Ų31.236%0.3616%0.162SC..THydrogen-bonded Turntrans-76.7-4.4177.4-63.6-61.7-16.600113.5L219 H221 L238 R239L219-Q242 HydrophobicContact CD1-CG 4.4Å; L219-Q242 HydrophobicContact CD2-CG 3.86Å; H221-Q242 PolarHBondContact CE1-OE1 3.43Å; H221-Q242 VanDerWaalsContact CE1-OE1 3.23Å; L238-Q242 WeakPolarHBondContact O-CB 3.44Å; L238-Q242 VanDerWaalsContact O-CG 3.23Å; L238-Q242 WeakPolarHBondContact O-CG 3.3Å; L238-Q242 PolarHBondContact O-N 2.81Å; R239-Q242 PolarHBondContact O-N 3.39Å
243G96.4Very high96.5Very high20 Ų2030.2 Ų30.221%0.20616%0.155CC..  trans84-179.9-179.700000113.8R239 V240 L241R239-G243 PolarHBondContact NE-O 3.17Å; R239-G243 PolarHBondContact NH2-O 3.25Å; R239-G243 PolarHBondContact O-N 3.41Å; R239-G243 VanDerWaalsContact O-N 3.15Å; V240-G243 PolarHBondContact O-N 3.03Å; L241-G243 PolarHBondContact O-N 3.24Å
244P96.3Very high96.5Very high16 Ų1629.5 Ų29.510%0.10415%0.151CC..SBendtrans-91.6-18.5-173.131.6-33.8000115.3Y28 Y31 Y32 E246Y28-P244 HydrophobicContact CD1-CB 4.49Å; Y28-P244 HydrophobicContact CD2-CB 3.6Å; Y28-P244 HydrophobicContact CD2-CG 4.31Å; Y28-P244 VanDerWaalsContact CE2-CA 3.44Å; Y28-P244 HydrophobicContact CE2-CB 3.66Å; Y28-P244 HydrophobicContact CG-CB 4.03Å; Y31-P244 HydrophobicContact CD1-CB 3.58Å; Y31-P244 HydrophobicContact CD1-CG 3.8Å; Y31-P244 HydrophobicContact CD2-CG 3.87Å; Y31-P244 HydrophobicContact CE1-CB 4.28Å; Y31-P244 HydrophobicContact CG-CB 3.73Å; Y31-P244 HydrophobicContact CG-CG 3.37Å; Y32-P244 HydrophobicContact CD2-CB 3.86Å; Y32-P244 HydrophobicContact CE2-CB 3.41Å; Y32-P244 VanDerWaalsContact CE2-CB 3.41Å; Y32-P244 PolarHBondContact OH-O 3.45Å; P244-E246 PolarHBondContact O-N 3.21Å
245C95.8Very high96.4Very high27 Ų2728.3 Ų28.318%0.18215%0.146CC..  trans-76109.5-170.4-171.30000112.6Y31 R239 Q247 V248 S249Y31-C245 HydrophobicContact CE2-CB 4.33Å; R239-C245 PolarHBondContact NH2-O 3.37Å; C245-Q247 PolarHBondContact O-N 3.37Å; C245-Q247 PolarHBondContact SG-N 2.93Å; C245-V248 HydrophobicContact CB-CB 4.35Å; C245-V248 HydrophobicContact CB-CG2 4.03Å; C245-V248 PolarHBondContact O-N 3.25Å; C245-S249 PolarHBondContact O-N 3.18Å
246E94.8Very high96.2Very high34 Ų3432.6 Ų32.616%0.15917%0.166CC..THydrogen-bonded Turntrans-64.9-16.8173.2-61.4-67173.200112.9N55 R239 P244 V248 S249 R250N55-E246 WeakPolarHBondContact CB-OE1 3.45Å; N55-E246 PolarHBondContact ND2-OE1 3.05Å; R239-E246 IonicContact NH1-OE1 2.92Å; R239-E246 IonicContact NH1-OE2 3.89Å; R239-E246 PolarHBondContact NH1-OE2 3.34Å; P244-E246 PolarHBondContact O-N 3.21Å; E246-V248 VanDerWaalsContact C-N 3.27Å; E246-S249 WeakPolarHBondContact CA-O 3.47Å; E246-R250 HydrophobicContact CB-CG 4.31Å; E246-R250 WeakPolarHBondContact O-CD 3.44Å; E246-R250 WeakPolarHBondContact O-CG 3.49Å
247Q93.9Very high96Very high166 Ų16637.4 Ų37.478%0.77619%0.192SC*.THydrogen-bonded Turntrans-73.2-22.3172-62.1-180-9.800111.8T222 C245T222-Q247 WeakPolarHBondContact CG2-O 3.44Å; C245-Q247 PolarHBondContact O-N 3.37Å; C245-Q247 PolarHBondContact SG-N 2.93Å
248V95Very high95.6Very high73 Ų7340.8 Ų40.844%0.44221%0.209SC..THydrogen-bonded Turntrans-96.2-44.8-175.9173.60000111.8H221 T222 C245 E246H221-V248 WeakPolarHBondContact CA-O 3.22Å; T222-V248 PolarHBondContact N-O 2.95Å; C245-V248 HydrophobicContact CB-CB 4.35Å; C245-V248 HydrophobicContact CB-CG2 4.03Å; C245-V248 PolarHBondContact O-N 3.25Å; E246-V248 VanDerWaalsContact C-N 3.27Å
249S96.1Very high94.8Very high1 Ų140 Ų401%0.00721%0.208CC..EExtended strand (participates in β ladder)trans-146.3143.9-179.862.40000109.5V220 R239 C245 E246V220-S249 CarbonylContact O-C 3.52Å; V220-S249 VanDerWaalsContact O-CA 3.31Å; V220-S249 WeakPolarHBondContact O-CA 3.46Å; R239-S249 PolarHBondContact NH1-O 3.41Å; R239-S249 PolarHBondContact NH2-O 2.78Å; R239-S249 PolarHBondContact NH2-OG 2.59Å; C245-S249 PolarHBondContact O-N 3.18Å; E246-S249 WeakPolarHBondContact CA-O 3.47Å
250R97Very high94.2Very high69 Ų6946.3 Ų46.326%0.2624%0.238SC..EExtended strand (participates in β ladder)trans-139.7143.9-177.3-62.6178.866.3171.71.1109.6S57 G182 V220 E246 F252S57-R250 PolarHBondContact OG-NE 2.78Å; S57-R250 VanDerWaalsContact OG-NE 3.16Å; S57-R250 PolarHBondContact OG-NH2 3.29Å; G182-R250 PolarHBondContact O-NH2 2.84Å; V220-R250 PolarHBondContact N-O 3.33Å; V220-R250 PolarHBondContact O-N 2.7Å; E246-R250 HydrophobicContact CB-CG 4.31Å; E246-R250 WeakPolarHBondContact O-CD 3.44Å; E246-R250 WeakPolarHBondContact O-CG 3.49Å; R250-F252 HydrophobicContact CB-CD2 3.93Å; R250-F252 HydrophobicContact CB-CE2 3.52Å; R250-F252 HydrophobicContact CB-CZ 4.42Å; R250-F252 HydrophobicContact CG-CE2 4.36Å
251I98.1Very high94Very high1 Ų152.2 Ų52.21%0.00527%0.265CS..EExtended strand (participates in β ladder)trans-94.5127.2170.4-60.3178.4000107.9L54 I56 S57 L217 Y218 L219 P235 R239L54-I251 HydrophobicContact CD1-CD1 4.05Å; L54-I251 HydrophobicContact CD2-CD1 4.09Å; I56-I251 CarbonylContact C-O 3.54Å; I56-I251 WeakPolarHBondContact CA-O 3.43Å; S57-I251 PolarHBondContact N-O 2.92Å; L217-I251 HydrophobicContact CB-CG2 4.32Å; L217-I251 HydrophobicContact CD1-CG2 4.49Å; L217-I251 HydrophobicContact CD2-CG2 4.48Å; Y218-I251 CarbonylContact O-C 3.51Å; Y218-I251 WeakPolarHBondContact O-CA 3.22Å; L219-I251 HydrophobicContact CD1-CG1 4.18Å; P235-I251 HydrophobicContact CB-CD1 4.48Å; R239-I251 HydrophobicContact CB-CD1 4.4Å
252F97.9Very high93.9Very high12 Ų1250.7 Ų50.75%0.05326%0.257CS..EExtended strand (participates in β ladder)trans-115.4143.6-179.6-80.8-94.9000111.7S57 L217 Y218 V220 R250 M254S57-F252 VanDerWaalsContact CB-CD1 3.44Å; S57-F252 VanDerWaalsContact CB-CE1 3.41Å; S57-F252 CarbonylContact O-C 3.46Å; S57-F252 VanDerWaalsContact O-CA 3.24Å; S57-F252 WeakPolarHBondContact O-CA 3.42Å; L217-F252 CarbonylContact C-O 3.43Å; L217-F252 VanDerWaalsContact CA-O 3.27Å; L217-F252 WeakPolarHBondContact CA-O 3.32Å; Y218-F252 PolarHBondContact N-O 2.98Å; Y218-F252 PolarHBondContact O-N 2.75Å; V220-F252 HydrophobicContact CB-CD2 3.81Å; V220-F252 HydrophobicContact CB-CE2 3.92Å; V220-F252 HydrophobicContact CG1-CE2 4.46Å; V220-F252 HydrophobicContact CG2-CD2 3.56Å; V220-F252 HydrophobicContact CG2-CE2 4.08Å; V220-F252 HydrophobicContact CG2-CG 4.31Å; R250-F252 HydrophobicContact CB-CD2 3.93Å; R250-F252 HydrophobicContact CB-CE2 3.52Å; R250-F252 HydrophobicContact CB-CZ 4.42Å; R250-F252 HydrophobicContact CG-CE2 4.36Å; F252-M254 HydrophobicContact CB-CE 3.64Å; F252-M254 HydrophobicContact CB-CG 4.07Å; F252-M254 HydrophobicContact CB-SD 4.47Å; F252-M254 HydrophobicContact CD1-CE 4.06Å; F252-M254 HydrophobicContact CD2-CE 4.37Å; F252-M254 HydrophobicContact CG-CE 3.79Å
253L97.8Very high93.7Very high0 Ų050.8 Ų50.80%026%0.264CS..EExtended strand (participates in β ladder)trans-89.3119161.1-179.473.7000108.8I56 S57 W58 G59 L60 L199 L202 L203 F215 L217I56-L253 HydrophobicContact CG2-CB 4.13Å; S57-L253 PolarHBondContact O-N 3.24Å; W58-L253 HydrophobicContact CE3-CD2 3.78Å; W58-L253 HydrophobicContact CH2-CD2 4.29Å; W58-L253 HydrophobicContact CZ3-CD2 3.44Å; W58-L253 VanDerWaalsContact CZ3-CD2 3.44Å; G59-L253 CarbonylContact C-O 3.54Å; G59-L253 WeakPolarHBondContact CA-O 3.3Å; G59-L253 PolarHBondContact N-O 3.3Å; L60-L253 HydrophobicContact CD1-CD2 4.36Å; L60-L253 HydrophobicContact CD2-CG 4.46Å; L199-L253 HydrophobicContact CD1-CD1 3.25Å; L202-L253 HydrophobicContact CD2-CB 4.21Å; L202-L253 HydrophobicContact CD2-CD1 4.3Å; L202-L253 HydrophobicContact CD2-CD2 3.91Å; L202-L253 HydrophobicContact CD2-CG 4.38Å; L203-L253 HydrophobicContact CD2-CD2 4.41Å; F215-L253 HydrophobicContact CB-CD1 3.76Å; F215-L253 HydrophobicContact CG-CD1 4.3Å; L217-L253 HydrophobicContact CD2-CB 4.31Å; L217-L253 HydrophobicContact CD2-CD1 3.97Å
254M97.1Very high93.4Very high10 Ų1056.1 Ų56.15%0.04928%0.278CS..EExtended strand (participates in β ladder)trans-130.9161.3179.2-60.1-177171.900110.8F215 A216 Y218 V220 F252F215-M254 WeakPolarHBondContact CA-O 3.09Å; A216-M254 PolarHBondContact N-O 2.82Å; A216-M254 PolarHBondContact O-N 2.73Å; Y218-M254 HydrophobicContact CD2-CB 3.73Å; Y218-M254 HydrophobicContact CD2-CG 4.02Å; Y218-M254 HydrophobicContact CD2-SD 3.98Å; Y218-M254 HydrophobicContact CE2-CB 3.92Å; Y218-M254 HydrophobicContact CG-SD 4.04Å; V220-M254 HydrophobicContact CG2-CE 4Å; F252-M254 HydrophobicContact CB-CE 3.64Å; F252-M254 HydrophobicContact CB-CG 4.07Å; F252-M254 HydrophobicContact CB-SD 4.47Å; F252-M254 HydrophobicContact CD1-CE 4.06Å; F252-M254 HydrophobicContact CD2-CE 4.37Å; F252-M254 HydrophobicContact CG-CE 3.79Å
255E94.9Very high93Very high6 Ų660.5 Ų60.53%0.02830%0.301CS..EExtended strand (participates in β ladder)trans-67.6136.7172.4-55.394.4142.800111.2L60 R61 R62 D214 D257 L258 G259L60-E255 WeakPolarHBondContact CA-OE2 3.36Å; L60-E255 HydrophobicContact CD2-CG 3.89Å; R61-E255 PolarHBondContact N-OE1 2.89Å; R61-E255 PolarHBondContact N-OE2 3.26Å; R62-E255 WeakPolarHBondContact CB-OE1 3.39Å; R62-E255 PolarHBondContact N-OE1 3.13Å; R62-E255 IonicContact NE-OE1 2.78Å; D214-E255 WeakPolarHBondContact O-CA 3.44Å; E255-D257 VanDerWaalsContact C-N 3.26Å; E255-D257 WeakPolarHBondContact CB-OD1 3.39Å; E255-D257 PolarHBondContact O-N 2.71Å; E255-L258 HydrophobicContact CB-CB 4.36Å; E255-L258 HydrophobicContact CB-CG 4.48Å; E255-L258 PolarHBondContact O-N 3.3Å; E255-G259 PolarHBondContact O-N 2.84Å
256Q93.8Very high92.8Very high89 Ų8962.8 Ų62.842%0.41631%0.314SS..THydrogen-bonded Turntrans-65.4-28.8-175.3173.6161.4-32.100113.2D213 D214D213-Q256 PolarHBondContact O-OE1 3.37Å; D214-Q256 PolarHBondContact O-N 3.15Å
257D91.7Very high92.6Very high104 Ų10461.2 Ų61.256%0.55631%0.307SS*.THydrogen-bonded Turntrans-83.4-21.8179.661.7-31.1000113.7R62 E255R62-D257 IonicContact CZ-OD1 2.75Å; R62-D257 IonicContact CZ-OD2 3.19Å; R62-D257 VanDerWaalsContact CZ-OD2 3.26Å; R62-D257 IonicContact NH1-OD1 3.22Å; R62-D257 IonicContact NH1-OD2 3.52Å; R62-D257 PolarHBondContact NH1-OD2 2.88Å; R62-D257 IonicContact NH2-OD1 3.26Å; R62-D257 PolarHBondContact NH2-OD1 2.95Å; R62-D257 IonicContact NH2-OD2 2.62Å; R62-D257 PolarHBondContact NH2-OD2 3.49Å; E255-D257 VanDerWaalsContact C-N 3.26Å; E255-D257 WeakPolarHBondContact CB-OD1 3.39Å; E255-D257 PolarHBondContact O-N 2.71Å
258L88Confident92.3Very high76 Ų7657.8 Ų57.840%0.39829%0.291SS..THydrogen-bonded Turntrans-105.6-16.2-178.7-62.9179.3000113.8R61 E255 E260R61-L258 HydrophobicContact CB-CD1 4.37Å; E255-L258 HydrophobicContact CB-CB 4.36Å; E255-L258 HydrophobicContact CB-CG 4.48Å; E255-L258 PolarHBondContact O-N 3.3Å; L258-E260 PolarHBondContact O-N 2.85Å
259G80Confident92.1Very high13 Ų1359.8 Ų59.813%0.13429%0.291CS..  trans-73.388.8-176.600000112.6Y218 E255Y218-G259 WeakPolarHBondContact CE1-O 3.33Å; Y218-G259 WeakPolarHBondContact OH-CA 3.43Å; Y218-G259 PolarHBondContact OH-O 3.16Å; E255-G259 PolarHBondContact O-N 2.84Å
260E86.2Confident91.6Very high137 Ų13764.4 Ų64.464%0.6432%0.315SS*.  trans-75.4126.9176.2-171.8175.1-164.500111.8R226 L258R226-E260 PolarHBondContact NE-O 2.88Å; L258-E260 PolarHBondContact O-N 2.85Å
261E92Very high91Very high126 Ų12668.8 Ų68.859%0.58934%0.336SS*.  trans-74.2130172-70-177.3-173.700110.1Y218 R226 K228Y218-E261 HydrophobicContact CE1-CG 4.47Å; R226-E261 CarbonylContact O-C 3.53Å; R226-E261 WeakPolarHBondContact O-CA 3.29Å; K228-E261 HydrophobicContact CB-CG 4.09Å; K228-E261 WeakPolarHBondContact CB-OE1 3.47Å
262V92.9Very high90.7Very high7 Ų773 Ų734%0.04235%0.354CS..BIsolated β-bridgetrans-122.7115.5178.8177.90000107.5G224 E225 R226 V266 A267 I270G224-V262 WeakPolarHBondContact O-CG1 3.46Å; E225-V262 WeakPolarHBondContact CA-O 3.5Å; E225-V262 WeakPolarHBondContact CG-O 3.42Å; R226-V262 HydrophobicContact CB-CB 4.14Å; R226-V262 HydrophobicContact CB-CG2 4.43Å; R226-V262 PolarHBondContact N-O 2.95Å; R226-V262 PolarHBondContact O-N 2.92Å; V262-V266 HydrophobicContact CG1-CB 4.23Å; V262-V266 HydrophobicContact CG1-CG1 4.17Å; V262-A267 HydrophobicContact CG1-CB 3.83Å; V262-I270 HydrophobicContact CB-CD1 4.25Å; V262-I270 HydrophobicContact CG1-CD1 3.42Å; V262-I270 VanDerWaalsContact CG1-CD1 3.42Å; V262-I270 HydrophobicContact CG2-CD1 3.82Å
263T92.1Very high90.4Very high80 Ų8079.4 Ų79.449%0.49138%0.384SS..  trans-73.4161.2174.462.30000111.1D265 V266 A267T263-D265 VanDerWaalsContact C-N 3.27Å; T263-D265 PolarHBondContact O-N 3.04Å; T263-V266 PolarHBondContact O-N 3.02Å; T263-V266 WeakPolarHBondContact OG1-CG2 3.27Å; T263-A267 WeakPolarHBondContact O-CB 3.18Å; T263-A267 PolarHBondContact O-N 3.34Å
264Y89.5Confident90.2Very high131 Ų13185.5 Ų85.551%0.51441%0.414SS..Hα-helixtrans-54-41.6177.3-179.6-97.7000113.3A267 Q268Y264-A267 PolarHBondContact O-N 3.32Å; Y264-Q268 VanDerWaalsContact CE1-NE2 3.33Å
265D89Confident90.1Very high108 Ų10888.9 Ų88.958%0.57844%0.437SS*.Hα-helixtrans-66.9-41.4-179.8-60-31.6000111.5T263 Y269T263-D265 VanDerWaalsContact C-N 3.27Å; T263-D265 PolarHBondContact O-N 3.04Å; D265-Y269 WeakPolarHBondContact O-CD2 3.26Å; D265-Y269 VanDerWaalsContact O-CE2 3.23Å; D265-Y269 WeakPolarHBondContact O-CE2 3.36Å
266V90.5Very high90.2Very high76 Ų7691.1 Ų91.146%0.46145%0.451SS..Hα-helixtrans-70.4-36.9178.5176.90000111.2V262 T263 Q268 Y269 I270V262-V266 HydrophobicContact CG1-CB 4.23Å; V262-V266 HydrophobicContact CG1-CG1 4.17Å; T263-V266 PolarHBondContact O-N 3.02Å; T263-V266 WeakPolarHBondContact OG1-CG2 3.27Å; V266-Q268 PolarHBondContact O-N 3.15Å; V266-Q268 VanDerWaalsContact O-N 3.13Å; V266-Y269 PolarHBondContact O-N 3.09Å; V266-I270 PolarHBondContact O-N 3.36Å
267A90.4Very high90.2Very high1 Ų189 Ų891%0.00844%0.442CS..Hα-helixtrans-56.1-32.2-178.500000113.2G224 V262 T263 Y264 Y269 I270G224-A267 VanDerWaalsContact C-CB 3.41Å; V262-A267 HydrophobicContact CG1-CB 3.83Å; T263-A267 WeakPolarHBondContact O-CB 3.18Å; T263-A267 PolarHBondContact O-N 3.34Å; Y264-A267 PolarHBondContact O-N 3.32Å; A267-Y269 PolarHBondContact O-N 3.42Å; A267-I270 PolarHBondContact O-N 3.34Å
268Q87.8Confident90.4Very high94 Ų9489.5 Ų89.544%0.43944%0.441SS..THydrogen-bonded Turntrans-62.9-29.1176.9-63.5175.446.600112.4Y264 V266 F272Y264-Q268 VanDerWaalsContact CE1-NE2 3.33Å; V266-Q268 PolarHBondContact O-N 3.15Å; V266-Q268 VanDerWaalsContact O-N 3.13Å; Q268-F272 WeakPolarHBondContact O-CE2 3.28Å
269Y90.3Very high90.8Very high115 Ų11588.1 Ų88.145%0.45144%0.438SS..THydrogen-bonded Turntrans-90.1-21.2-176.1-61.1-76.1000113.9D265 V266 A267 K271 F272 L277 F280D265-Y269 WeakPolarHBondContact O-CD2 3.26Å; D265-Y269 VanDerWaalsContact O-CE2 3.23Å; D265-Y269 WeakPolarHBondContact O-CE2 3.36Å; V266-Y269 PolarHBondContact O-N 3.09Å; A267-Y269 PolarHBondContact O-N 3.42Å; Y269-K271 PolarHBondContact O-N 3.18Å; Y269-F272 HydrophobicContact CD1-CD2 4.19Å; Y269-F272 HydrophobicContact CD1-CE2 4.2Å; Y269-F272 PolarHBondContact O-N 2.78Å; Y269-L277 HydrophobicContact CD1-CD2 4.34Å; Y269-F280 HydrophobicContact CD1-CD2 4.3Å; Y269-F280 HydrophobicContact CD1-CE2 4.36Å; Y269-F280 HydrophobicContact CE1-CD2 4.45Å
270I86.6Confident91.6Very high97 Ų9790.8 Ų90.850%0.49745%0.446SS..THydrogen-bonded Turntrans-58.9-25.3-177.1-69.3-178.2000112.6V262 V266 A267 F272V262-I270 HydrophobicContact CB-CD1 4.25Å; V262-I270 HydrophobicContact CG1-CD1 3.42Å; V262-I270 VanDerWaalsContact CG1-CD1 3.42Å; V262-I270 HydrophobicContact CG2-CD1 3.82Å; V266-I270 PolarHBondContact O-N 3.36Å; A267-I270 PolarHBondContact O-N 3.34Å; I270-F272 VanDerWaalsContact C-N 3.29Å; I270-F272 PolarHBondContact O-N 3.19Å
271K84.8Confident92Very high161 Ų16189.7 Ų89.770%0.744%0.443SS*.THydrogen-bonded Turntrans-78.2-11.4-179.6-61.3-180-176.9176.60113.5Y269Y269-K271 PolarHBondContact O-N 3.18Å
272F90.8Very high92.3Very high91 Ų9187.3 Ų87.340%0.39944%0.437SS..SBendtrans-91.5145.7-179.6-61.3-63.9000112Q268 Y269 I270 V276 L277 F280Q268-F272 WeakPolarHBondContact O-CE2 3.28Å; Y269-F272 HydrophobicContact CD1-CD2 4.19Å; Y269-F272 HydrophobicContact CD1-CE2 4.2Å; Y269-F272 PolarHBondContact O-N 2.78Å; I270-F272 VanDerWaalsContact C-N 3.29Å; I270-F272 PolarHBondContact O-N 3.19Å; F272-V276 HydrophobicContact CB-CB 4.19Å; F272-V276 HydrophobicContact CB-CG1 4.11Å; F272-V276 HydrophobicContact CD1-CG1 4.03Å; F272-V276 HydrophobicContact CG-CG1 4.17Å; F272-L277 HydrophobicContact CB-CD2 3.87Å; F272-L277 HydrophobicContact CB-CG 4.04Å; F272-L277 HydrophobicContact CD2-CD2 4.26Å; F272-F280 AromaticContact CD2-CE2 3.75Å; F272-F280 HydrophobicContact CD2-CE2 3.75Å; F272-F280 HydrophobicContact CD2-CZ 4.46Å; F272-F280 AromaticContact CE2-CE2 3.98Å; F272-F280 HydrophobicContact CE2-CE2 3.98Å; F272-F280 HydrophobicContact CE2-CZ 4.37Å; F272-F280 HydrophobicContact CG-CE2 4.1Å; F272-F280 HydrophobicContact CZ-CE2 4.48Å; F272-F280 HydrophobicContact CZ-CZ 4.45Å
273E91.9Very high92.5Very high146 Ų14693.3 Ų93.368%0.68246%0.463SS*.  trans-68.9154.3173-60.3-174.6166.100111.7P275 V276 L277E273-P275 VanDerWaalsContact C-CD 3.4Å; E273-P275 VanDerWaalsContact C-N 3.34Å; E273-V276 WeakPolarHBondContact O-CB 3.45Å; E273-V276 PolarHBondContact O-N 3.31Å; E273-L277 PolarHBondContact O-N 2.8Å
274M93.9Very high92.8Very high128 Ų12895.4 Ų95.463%0.63147%0.47SS*.Hα-helixtrans-52.3-40.9-178.5-160.861.464.200114.3V276 L277 Q278M274-V276 VanDerWaalsContact C-N 3.32Å; M274-V276 PolarHBondContact O-N 3.32Å; M274-L277 PolarHBondContact O-N 2.87Å; M274-L277 HydrophobicContact SD-CD1 4.43Å; M274-Q278 VanDerWaalsContact O-CG 3.3Å; M274-Q278 WeakPolarHBondContact O-CG 3.3Å; M274-Q278 PolarHBondContact O-N 2.83Å
275P95.6Very high93.2Very high81 Ų8195.3 Ų95.353%0.52647%0.473SS..Hα-helixtrans-64-35.6176.4-22.134.9000113.3E273 Q278 S279E273-P275 VanDerWaalsContact C-CD 3.4Å; E273-P275 VanDerWaalsContact C-N 3.34Å; P275-Q278 PolarHBondContact O-N 2.96Å; P275-S279 PolarHBondContact O-N 3.34Å
276V96.1Very high93.6Very high53 Ų5395.2 Ų95.232%0.32147%0.469SS..Hα-helixtrans-67.9-44.5177.3-1800000109.7F272 E273 M274 Q278 S279 F280F272-V276 HydrophobicContact CB-CB 4.19Å; F272-V276 HydrophobicContact CB-CG1 4.11Å; F272-V276 HydrophobicContact CD1-CG1 4.03Å; F272-V276 HydrophobicContact CG-CG1 4.17Å; E273-V276 WeakPolarHBondContact O-CB 3.45Å; E273-V276 PolarHBondContact O-N 3.31Å; M274-V276 VanDerWaalsContact C-N 3.32Å; M274-V276 PolarHBondContact O-N 3.32Å; V276-Q278 VanDerWaalsContact C-N 3.34Å; V276-Q278 PolarHBondContact O-N 2.67Å; V276-S279 WeakPolarHBondContact O-CB 3.48Å; V276-S279 PolarHBondContact O-N 3.12Å; V276-S279 VanDerWaalsContact O-N 3.09Å; V276-S279 PolarHBondContact O-OG 3.42Å; V276-F280 HydrophobicContact CG1-CD2 4.47Å; V276-F280 HydrophobicContact CG1-CE1 4.41Å; V276-F280 HydrophobicContact CG1-CE2 3.72Å; V276-F280 HydrophobicContact CG1-CZ 3.68Å; V276-F280 PolarHBondContact O-N 2.88Å; V276-F280 VanDerWaalsContact O-N 3.1Å
277L95.1Very high94Very high43 Ų4395.6 Ų95.623%0.22547%0.466CS..Hα-helixtrans-59.8-43.5174.8-64.9175.6000112Y269 F272 E273 M274 S279 F280 I281Y269-L277 HydrophobicContact CD1-CD2 4.34Å; F272-L277 HydrophobicContact CB-CD2 3.87Å; F272-L277 HydrophobicContact CB-CG 4.04Å; F272-L277 HydrophobicContact CD2-CD2 4.26Å; E273-L277 PolarHBondContact O-N 2.8Å; M274-L277 PolarHBondContact O-N 2.87Å; M274-L277 HydrophobicContact SD-CD1 4.43Å; L277-S279 VanDerWaalsContact C-N 3.28Å; L277-S279 PolarHBondContact O-N 3.1Å; L277-F280 HydrophobicContact CD2-CD2 4.19Å; L277-F280 HydrophobicContact CD2-CE2 4.47Å; L277-F280 WeakPolarHBondContact O-CB 3.46Å; L277-F280 PolarHBondContact O-N 2.99Å; L277-F280 VanDerWaalsContact O-N 3.16Å; L277-I281 WeakPolarHBondContact O-CG1 3.36Å; L277-I281 PolarHBondContact O-N 2.89Å; L277-I281 VanDerWaalsContact O-N 3.09Å
278Q95.4Very high94.3Very high115 Ų115101.7 Ų101.754%0.53749%0.494SS..Hα-helixtrans-58.8-40.4173.7-73.9173.4-1.400111.6M274 P275 V276 F280 I281 T282M274-Q278 VanDerWaalsContact O-CG 3.3Å; M274-Q278 WeakPolarHBondContact O-CG 3.3Å; M274-Q278 PolarHBondContact O-N 2.83Å; P275-Q278 PolarHBondContact O-N 2.96Å; V276-Q278 VanDerWaalsContact C-N 3.34Å; V276-Q278 PolarHBondContact O-N 2.67Å; Q278-F280 VanDerWaalsContact C-N 3.32Å; Q278-F280 PolarHBondContact O-N 3.19Å; Q278-I281 PolarHBondContact O-N 3.34Å; Q278-T282 PolarHBondContact O-N 3.46Å; Q278-T282 PolarHBondContact O-OG1 3.49Å; Q278-T282 VanDerWaalsContact O-OG1 3.08Å
279S96.9Very high94.8Very high47 Ų47101.6 Ų101.633%0.32950%0.497SS..Hα-helixtrans-63.3-36.617784.70000112.8P275 V276 L277 T282 K283P275-S279 PolarHBondContact O-N 3.34Å; V276-S279 WeakPolarHBondContact O-CB 3.48Å; V276-S279 PolarHBondContact O-N 3.12Å; V276-S279 VanDerWaalsContact O-N 3.09Å; V276-S279 PolarHBondContact O-OG 3.42Å; L277-S279 VanDerWaalsContact C-N 3.28Å; L277-S279 PolarHBondContact O-N 3.1Å; S279-T282 PolarHBondContact O-N 3.5Å; S279-K283 WeakPolarHBondContact O-CG 3.18Å; S279-K283 PolarHBondContact O-N 3.01Å
280F95.1Very high95.2Very high69 Ų69102.9 Ų102.930%0.30350%0.5SS..Hα-helixtrans-65-45.3174.4-62.4-39.7000111.3Y269 F272 V276 L277 Q278 T282 K283 L284Y269-F280 HydrophobicContact CD1-CD2 4.3Å; Y269-F280 HydrophobicContact CD1-CE2 4.36Å; Y269-F280 HydrophobicContact CE1-CD2 4.45Å; F272-F280 AromaticContact CD2-CE2 3.75Å; F272-F280 HydrophobicContact CD2-CE2 3.75Å; F272-F280 HydrophobicContact CD2-CZ 4.46Å; F272-F280 AromaticContact CE2-CE2 3.98Å; F272-F280 HydrophobicContact CE2-CE2 3.98Å; F272-F280 HydrophobicContact CE2-CZ 4.37Å; F272-F280 HydrophobicContact CG-CE2 4.1Å; F272-F280 HydrophobicContact CZ-CE2 4.48Å; F272-F280 HydrophobicContact CZ-CZ 4.45Å; V276-F280 HydrophobicContact CG1-CD2 4.47Å; V276-F280 HydrophobicContact CG1-CE1 4.41Å; V276-F280 HydrophobicContact CG1-CE2 3.72Å; V276-F280 HydrophobicContact CG1-CZ 3.68Å; V276-F280 PolarHBondContact O-N 2.88Å; V276-F280 VanDerWaalsContact O-N 3.1Å; L277-F280 HydrophobicContact CD2-CD2 4.19Å; L277-F280 HydrophobicContact CD2-CE2 4.47Å; L277-F280 WeakPolarHBondContact O-CB 3.46Å; L277-F280 PolarHBondContact O-N 2.99Å; L277-F280 VanDerWaalsContact O-N 3.16Å; Q278-F280 VanDerWaalsContact C-N 3.32Å; Q278-F280 PolarHBondContact O-N 3.19Å; F280-T282 VanDerWaalsContact C-N 3.33Å; F280-T282 PolarHBondContact O-N 2.74Å; F280-K283 PolarHBondContact O-N 3.32Å; F280-L284 WeakPolarHBondContact O-CB 3.5Å; F280-L284 VanDerWaalsContact O-CG 3.28Å; F280-L284 WeakPolarHBondContact O-CG 3.47Å; F280-L284 PolarHBondContact O-N 3.37Å
281I96Very high95.7Very high114 Ų114102.5 Ų102.559%0.58550%0.497SS*.Hα-helixtrans-59.1-46.3177.3-65.3169.5000110.4L277 Q278 L284 K285L277-I281 WeakPolarHBondContact O-CG1 3.36Å; L277-I281 PolarHBondContact O-N 2.89Å; L277-I281 VanDerWaalsContact O-N 3.09Å; Q278-I281 PolarHBondContact O-N 3.34Å; I281-L284 PolarHBondContact O-N 3.3Å; I281-K285 WeakPolarHBondContact O-CB 3.32Å; I281-K285 PolarHBondContact O-N 3.44Å
282T97.6Very high96.4Very high76 Ų7697.5 Ų97.547%0.46648%0.479SS..Hα-helixtrans-60.1-48.2178.1-58.50000111.5Q278 S279 F280 L284 K285 E286Q278-T282 PolarHBondContact O-N 3.46Å; Q278-T282 PolarHBondContact O-OG1 3.49Å; Q278-T282 VanDerWaalsContact O-OG1 3.08Å; S279-T282 PolarHBondContact O-N 3.5Å; F280-T282 VanDerWaalsContact C-N 3.33Å; F280-T282 PolarHBondContact O-N 2.74Å; T282-L284 PolarHBondContact O-N 2.98Å; T282-K285 PolarHBondContact O-N 3.3Å; T282-E286 WeakPolarHBondContact O-CG 3.17Å; T282-E286 PolarHBondContact O-N 2.86Å
283K97.6Very high96.7Very high134 Ų13498.3 Ų98.358%0.58348%0.484SS*.Hα-helixtrans-63.5-39.3179.1-74.8-178.9-179.7-179.60113S279 F280 K285 E286 E287S279-K283 WeakPolarHBondContact O-CG 3.18Å; S279-K283 PolarHBondContact O-N 3.01Å; F280-K283 PolarHBondContact O-N 3.32Å; K283-K285 VanDerWaalsContact C-N 3.33Å; K283-E286 PolarHBondContact O-N 2.65Å; K283-E287 PolarHBondContact O-N 3.25Å
284L97.4Very high97Very high123 Ų12397.6 Ų97.664%0.64448%0.479SS*.Hα-helixtrans-63.8-41.5176.2-73.6171.1000111.1F280 I281 T282 E287 E288F280-L284 WeakPolarHBondContact O-CB 3.5Å; F280-L284 VanDerWaalsContact O-CG 3.28Å; F280-L284 WeakPolarHBondContact O-CG 3.47Å; F280-L284 PolarHBondContact O-N 3.37Å; I281-L284 PolarHBondContact O-N 3.3Å; T282-L284 PolarHBondContact O-N 2.98Å; L284-E287 PolarHBondContact O-N 2.9Å; L284-E288 WeakPolarHBondContact O-CB 3.4Å; L284-E288 PolarHBondContact O-N 3.03Å
285K97.9Very high97.2Very high130 Ų13097.2 Ų97.257%0.56548%0.479SS*.Hα-helixtrans-64.1-42.9175.8-171.7176.7179.6179.10112.3I281 T282 K283 E287 E288 D289I281-K285 WeakPolarHBondContact O-CB 3.32Å; I281-K285 PolarHBondContact O-N 3.44Å; T282-K285 PolarHBondContact O-N 3.3Å; K283-K285 VanDerWaalsContact C-N 3.33Å; K285-E287 VanDerWaalsContact C-N 3.31Å; K285-E287 PolarHBondContact O-N 3.12Å; K285-E288 PolarHBondContact O-N 2.79Å; K285-D289 WeakPolarHBondContact O-CB 3.34Å; K285-D289 PolarHBondContact O-N 2.81Å
286E97.8Very high97.3Very high105 Ų105100.8 Ų100.849%0.49148%0.482SS..Hα-helixtrans-64.3-33.7175.6-72172.5-179.700113T282 K283 R290T282-E286 WeakPolarHBondContact O-CG 3.17Å; T282-E286 PolarHBondContact O-N 2.86Å; K283-E286 PolarHBondContact O-N 2.65Å; E286-R290 WeakPolarHBondContact O-CG 3.08Å; E286-R290 PolarHBondContact O-N 3.24Å; E286-R290 PolarHBondContact O-NE 3.4Å
287E98.1Very high97.4Very high85 Ų85101 Ų10140%0.39749%0.486SS..Hα-helixtrans-70.4-44.8173-170.765.3-13900111.4K283 L284 K285 D289 R290 E291K283-E287 PolarHBondContact O-N 3.25Å; L284-E287 PolarHBondContact O-N 2.9Å; K285-E287 VanDerWaalsContact C-N 3.31Å; K285-E287 PolarHBondContact O-N 3.12Å; E287-D289 PolarHBondContact O-N 3.38Å; E287-R290 WeakPolarHBondContact O-CB 3.44Å; E287-R290 PolarHBondContact O-N 3.47Å; E287-R290 IonicContact OE2-CZ 2.74Å; E287-R290 IonicContact OE2-NE 2.83Å; E287-R290 IonicContact OE2-NH1 3.8Å; E287-R290 PolarHBondContact OE2-NH1 2.7Å; E287-R290 IonicContact OE2-NH2 3.34Å; E287-R290 PolarHBondContact OE2-NH2 3Å; E287-E291 PolarHBondContact O-N 2.73Å
288E98.1Very high97.5Very high128 Ų128107.6 Ų107.660%0.59851%0.508SS*.Hα-helixtrans-57.9-49.2175.8-176.1179.4-161.400111.3L284 K285 R290 E291 V292L284-E288 WeakPolarHBondContact O-CB 3.4Å; L284-E288 PolarHBondContact O-N 3.03Å; K285-E288 PolarHBondContact O-N 2.79Å; E288-R290 VanDerWaalsContact C-N 3.26Å; E288-R290 PolarHBondContact O-N 2.77Å; E288-E291 PolarHBondContact O-N 3.13Å; E288-V292 HydrophobicContact CG-CG2 4.44Å; E288-V292 VanDerWaalsContact O-CG2 3.32Å; E288-V292 WeakPolarHBondContact O-CG2 3.24Å; E288-V292 PolarHBondContact O-N 3.3Å
289D98.2Very high97.7Very high93 Ų93109 Ų10950%0.49751%0.509SS..Hα-helixtrans-59.6-37.6178.5-77.1-26.6000111.9K285 E287 Q293K285-D289 WeakPolarHBondContact O-CB 3.34Å; K285-D289 PolarHBondContact O-N 2.81Å; E287-D289 PolarHBondContact O-N 3.38Å; D289-Q293 WeakPolarHBondContact O-CB 3.41Å; D289-Q293 PolarHBondContact O-N 3.38Å
290R98.3Very high97.7Very high141 Ų141110.8 Ų110.853%0.53252%0.518SS..Hα-helixtrans-66.1-45.7175.5-81.3-177.9-73159.3-0.9112.2E286 E287 E288 Q293 K294E286-R290 WeakPolarHBondContact O-CG 3.08Å; E286-R290 PolarHBondContact O-N 3.24Å; E286-R290 PolarHBondContact O-NE 3.4Å; E287-R290 WeakPolarHBondContact O-CB 3.44Å; E287-R290 PolarHBondContact O-N 3.47Å; E287-R290 IonicContact OE2-CZ 2.74Å; E287-R290 IonicContact OE2-NE 2.83Å; E287-R290 IonicContact OE2-NH1 3.8Å; E287-R290 PolarHBondContact OE2-NH1 2.7Å; E287-R290 IonicContact OE2-NH2 3.34Å; E287-R290 PolarHBondContact OE2-NH2 3Å; E288-R290 VanDerWaalsContact C-N 3.26Å; E288-R290 PolarHBondContact O-N 2.77Å; R290-Q293 PolarHBondContact O-N 3.47Å; R290-K294 WeakPolarHBondContact O-CB 3.49Å; R290-K294 PolarHBondContact O-N 3.49Å
291E98.1Very high97.8Very high90 Ų90113.9 Ų113.942%0.42153%0.532SS..Hα-helixtrans-68.2-37.4178.3-76.7-62.9130.900111.9E287 E288 Q293 K294 L295E287-E291 PolarHBondContact O-N 2.73Å; E288-E291 PolarHBondContact O-N 3.13Å; E291-Q293 VanDerWaalsContact C-N 3.34Å; E291-Q293 PolarHBondContact O-N 3.25Å; E291-K294 PolarHBondContact O-N 3.22Å; E291-K294 WeakPolarHBondContact OE1-CD 3.19Å; E291-K294 IonicContact OE1-NZ 2.77Å; E291-K294 PolarHBondContact OE1-NZ 2.99Å; E291-K294 IonicContact OE2-NZ 3.47Å; E291-K294 PolarHBondContact OE2-NZ 3.25Å; E291-L295 WeakPolarHBondContact O-CB 3.38Å; E291-L295 PolarHBondContact O-N 2.94Å
292V98.1Very high97.9Very high55 Ų55112.4 Ų112.433%0.33353%0.525SS..Hα-helixtrans-59.3-46171.6169.70000110.7E288 K294 L295 R296E288-V292 HydrophobicContact CG-CG2 4.44Å; E288-V292 VanDerWaalsContact O-CG2 3.32Å; E288-V292 WeakPolarHBondContact O-CG2 3.24Å; E288-V292 PolarHBondContact O-N 3.3Å; V292-K294 PolarHBondContact O-N 3.03Å; V292-L295 PolarHBondContact O-N 3.4Å; V292-R296 HydrophobicContact CG1-CG 4.43Å; V292-R296 WeakPolarHBondContact O-CB 3.32Å; V292-R296 WeakPolarHBondContact O-CG 3.18Å; V292-R296 PolarHBondContact O-N 3.39Å
293Q98.1Very high97.8Very high108 Ų108115 Ų11551%0.50553%0.526SS..Hα-helixtrans-66-39.2-179.6-173.360.114.900112.4D289 R290 E291 R296 S297D289-Q293 WeakPolarHBondContact O-CB 3.41Å; D289-Q293 PolarHBondContact O-N 3.38Å; R290-Q293 PolarHBondContact O-N 3.47Å; E291-Q293 VanDerWaalsContact C-N 3.34Å; E291-Q293 PolarHBondContact O-N 3.25Å; Q293-R296 PolarHBondContact O-N 3.37Å; Q293-S297 WeakPolarHBondContact O-CB 3.18Å; Q293-S297 PolarHBondContact O-N 2.73Å; Q293-S297 PolarHBondContact O-OG 3.17Å
294K98.1Very high97.7Very high131 Ų131111.1 Ų111.157%0.5752%0.515SS*.Hα-helixtrans-63.2-44.3173.9-175.5-175178.7-170.80111.6R290 E291 V292 S297 R298R290-K294 WeakPolarHBondContact O-CB 3.49Å; R290-K294 PolarHBondContact O-N 3.49Å; E291-K294 PolarHBondContact O-N 3.22Å; E291-K294 WeakPolarHBondContact OE1-CD 3.19Å; E291-K294 IonicContact OE1-NZ 2.77Å; E291-K294 PolarHBondContact OE1-NZ 2.99Å; E291-K294 IonicContact OE2-NZ 3.47Å; E291-K294 PolarHBondContact OE2-NZ 3.25Å; V292-K294 PolarHBondContact O-N 3.03Å; K294-S297 PolarHBondContact O-N 3.35Å; K294-R298 PolarHBondContact O-N 2.91Å
295L98.2Very high97.7Very high120 Ų120108.3 Ų108.363%0.62850%0.5SS*.Hα-helixtrans-63.8-44.8176.5-176.362.1000111.6E291 V292 S297 R298 Y299E291-L295 WeakPolarHBondContact O-CB 3.38Å; E291-L295 PolarHBondContact O-N 2.94Å; V292-L295 PolarHBondContact O-N 3.4Å; L295-S297 VanDerWaalsContact C-N 3.34Å; L295-S297 PolarHBondContact O-N 2.97Å; L295-R298 PolarHBondContact O-N 2.86Å; L295-Y299 WeakPolarHBondContact O-CB 3.39Å; L295-Y299 PolarHBondContact O-N 3.49Å
296R97.9Very high97.5Very high156 Ų156106.6 Ų106.659%0.58950%0.496SS*.Hα-helixtrans-57.5-46.7174.5-77.8177.2177.9177.11.7111.6V292 Q293 R298 Y299 T300V292-R296 HydrophobicContact CG1-CG 4.43Å; V292-R296 WeakPolarHBondContact O-CB 3.32Å; V292-R296 WeakPolarHBondContact O-CG 3.18Å; V292-R296 PolarHBondContact O-N 3.39Å; Q293-R296 PolarHBondContact O-N 3.37Å; R296-R298 VanDerWaalsContact C-N 3.33Å; R296-R298 PolarHBondContact O-N 3.48Å; R296-Y299 PolarHBondContact O-N 3.31Å; R296-T300 WeakPolarHBondContact O-CG2 3.33Å; R296-T300 PolarHBondContact O-N 3.08Å; R296-T300 PolarHBondContact O-OG1 2.91Å
297S97.7Very high97.3Very high59 Ų59104.9 Ų104.941%0.41349%0.488SS..Hα-helixtrans-63.2-39.5179.8-570000112Q293 K294 L295 T300 F301Q293-S297 WeakPolarHBondContact O-CB 3.18Å; Q293-S297 PolarHBondContact O-N 2.73Å; Q293-S297 PolarHBondContact O-OG 3.17Å; K294-S297 PolarHBondContact O-N 3.35Å; L295-S297 VanDerWaalsContact C-N 3.34Å; L295-S297 PolarHBondContact O-N 2.97Å; S297-T300 WeakPolarHBondContact CA-OG1 3.33Å; S297-T300 PolarHBondContact O-OG1 3.24Å; S297-F301 WeakPolarHBondContact O-CB 3.44Å; S297-F301 PolarHBondContact O-N 3.19Å; S297-F301 VanDerWaalsContact O-N 3.1Å
298R97.8Very high97.1Very high180 Ų180106.9 Ų106.968%0.67950%0.496SS*.Hα-helixtrans-67.7-41.7175.5-171174.8176.4-177.5-1.5111.8K294 L295 R296 L302K294-R298 PolarHBondContact O-N 2.91Å; L295-R298 PolarHBondContact O-N 2.86Å; R296-R298 VanDerWaalsContact C-N 3.33Å; R296-R298 PolarHBondContact O-N 3.48Å; R298-L302 HydrophobicContact CG-CD1 4.19Å; R298-L302 WeakPolarHBondContact O-CB 3.07Å; R298-L302 WeakPolarHBondContact O-CG 3.4Å; R298-L302 PolarHBondContact O-N 2.91Å
299Y98Very high96.7Very high145 Ų145107 Ų10757%0.56950%0.496SS*.Hα-helixtrans-62.5-48.3176.3173.1-99.6000111.9L295 R296 F301 L302 R303L295-Y299 WeakPolarHBondContact O-CB 3.39Å; L295-Y299 PolarHBondContact O-N 3.49Å; R296-Y299 PolarHBondContact O-N 3.31Å; Y299-F301 VanDerWaalsContact C-N 3.33Å; Y299-F301 PolarHBondContact O-N 3.46Å; Y299-L302 PolarHBondContact O-N 3.03Å; Y299-R303 VanDerWaalsContact O-CB 3.27Å; Y299-R303 WeakPolarHBondContact O-CB 3.26Å; Y299-R303 PolarHBondContact O-N 3.42Å
300T97.8Very high96.4Very high85 Ų85107.7 Ų107.752%0.52150%0.499SS..Hα-helixtrans-63.2-40.3179.7530000111.9R296 S297 R303 C304R296-T300 WeakPolarHBondContact O-CG2 3.33Å; R296-T300 PolarHBondContact O-N 3.08Å; R296-T300 PolarHBondContact O-OG1 2.91Å; S297-T300 WeakPolarHBondContact CA-OG1 3.33Å; S297-T300 PolarHBondContact O-OG1 3.24Å; T300-R303 PolarHBondContact O-N 2.77Å; T300-C304 WeakPolarHBondContact O-CB 3.36Å; T300-C304 PolarHBondContact O-N 3.15Å
301F97.3Very high95.8Very high133 Ų133110 Ų11058%0.58351%0.508SS*.Hα-helixtrans-60.4-51174.7176.8-103.2000112.2S297 Y299 R303 C304 I305S297-F301 WeakPolarHBondContact O-CB 3.44Å; S297-F301 PolarHBondContact O-N 3.19Å; S297-F301 VanDerWaalsContact O-N 3.1Å; Y299-F301 VanDerWaalsContact C-N 3.33Å; Y299-F301 PolarHBondContact O-N 3.46Å; F301-R303 PolarHBondContact O-N 3.41Å; F301-C304 WeakPolarHBondContact O-CB 3.37Å; F301-C304 PolarHBondContact O-N 3.02Å; F301-I305 HydrophobicContact CD1-CD1 3.9Å; F301-I305 HydrophobicContact CE1-CD1 3.33Å; F301-I305 HydrophobicContact CE1-CG1 4.47Å; F301-I305 HydrophobicContact CE2-CD1 4.22Å; F301-I305 HydrophobicContact CZ-CD1 3.53Å; F301-I305 HydrophobicContact CZ-CG1 4.44Å; F301-I305 PolarHBondContact O-N 3.39Å; F301-I305 VanDerWaalsContact O-N 3.11Å
302L97.3Very high94.8Very high84 Ų84111 Ų11144%0.4452%0.523SS..Hα-helixtrans-63-43.1178.8-73.6170.2000111.9R298 Y299 C304 I305 I306R298-L302 HydrophobicContact CG-CD1 4.19Å; R298-L302 WeakPolarHBondContact O-CB 3.07Å; R298-L302 WeakPolarHBondContact O-CG 3.4Å; R298-L302 PolarHBondContact O-N 2.91Å; Y299-L302 PolarHBondContact O-N 3.03Å; L302-C304 VanDerWaalsContact C-N 3.3Å; L302-C304 PolarHBondContact O-N 3.33Å; L302-I305 PolarHBondContact O-N 3.32Å; L302-I305 VanDerWaalsContact O-N 3.15Å; L302-I306 WeakPolarHBondContact O-CG1 3.45Å; L302-I306 PolarHBondContact O-N 3.4Å
303R96.5Very high93.3Very high129 Ų129113.8 Ų113.849%0.48754%0.536SS..Hα-helixtrans-57.3-44.1175.1-179.6176.7170.7163.73111.4Y299 T300 F301 I305 I306 E307Y299-R303 VanDerWaalsContact O-CB 3.27Å; Y299-R303 WeakPolarHBondContact O-CB 3.26Å; Y299-R303 PolarHBondContact O-N 3.42Å; T300-R303 PolarHBondContact O-N 2.77Å; F301-R303 PolarHBondContact O-N 3.41Å; R303-I305 VanDerWaalsContact C-N 3.34Å; R303-I305 PolarHBondContact O-N 3.29Å; R303-I306 PolarHBondContact O-N 3.37Å; R303-E307 HydrophobicContact CG-CG 4.33Å; R303-E307 WeakPolarHBondContact CG-OE1 3.24Å; R303-E307 IonicContact CZ-OE1 3.9Å; R303-E307 IonicContact NE-OE1 3.06Å; R303-E307 PolarHBondContact NE-OE1 3.12Å; R303-E307 IonicContact NH2-OE1 3.26Å; R303-E307 PolarHBondContact NH2-OE1 2.94Å; R303-E307 WeakPolarHBondContact O-CB 3.49Å; R303-E307 WeakPolarHBondContact O-CG 3.44Å; R303-E307 PolarHBondContact O-N 3.1Å
304C95.8Very high91.7Very high53 Ų53114 Ų11436%0.35855%0.547SS..Hα-helixtrans-60.9-41.3176.5-175.80000112.3T300 F301 L302 K308T300-C304 WeakPolarHBondContact O-CB 3.36Å; T300-C304 PolarHBondContact O-N 3.15Å; F301-C304 WeakPolarHBondContact O-CB 3.37Å; F301-C304 PolarHBondContact O-N 3.02Å; L302-C304 VanDerWaalsContact C-N 3.3Å; L302-C304 PolarHBondContact O-N 3.33Å; C304-K308 WeakPolarHBondContact O-CB 3.34Å; C304-K308 WeakPolarHBondContact O-CG 3.05Å; C304-K308 PolarHBondContact O-N 3.19Å
305I96Very high89.8Confident65 Ų65116.8 Ų116.833%0.33356%0.562SS.*Hα-helixtrans-62.4-48.9176-67.9171.2000110.7F301 L302 R303 E307 K308 Q309F301-I305 HydrophobicContact CD1-CD1 3.9Å; F301-I305 HydrophobicContact CE1-CD1 3.33Å; F301-I305 HydrophobicContact CE1-CG1 4.47Å; F301-I305 HydrophobicContact CE2-CD1 4.22Å; F301-I305 HydrophobicContact CZ-CD1 3.53Å; F301-I305 HydrophobicContact CZ-CG1 4.44Å; F301-I305 PolarHBondContact O-N 3.39Å; F301-I305 VanDerWaalsContact O-N 3.11Å; L302-I305 PolarHBondContact O-N 3.32Å; L302-I305 VanDerWaalsContact O-N 3.15Å; R303-I305 VanDerWaalsContact C-N 3.34Å; R303-I305 PolarHBondContact O-N 3.29Å; I305-E307 PolarHBondContact O-N 3.14Å; I305-K308 WeakPolarHBondContact O-CB 3.32Å; I305-K308 PolarHBondContact O-N 2.72Å; I305-Q309 PolarHBondContact O-N 3.49Å
306I95.2Very high87.8Confident94 Ų94114.4 Ų114.448%0.48257%0.566SS.*Hα-helixtrans-61.3-46.8-179.8-66.5167.2000110.3L302 R303 K308 Q309 L310L302-I306 WeakPolarHBondContact O-CG1 3.45Å; L302-I306 PolarHBondContact O-N 3.4Å; R303-I306 PolarHBondContact O-N 3.37Å; I306-K308 VanDerWaalsContact C-N 3.28Å; I306-K308 PolarHBondContact O-N 3.31Å; I306-Q309 PolarHBondContact O-N 3.08Å; I306-Q309 VanDerWaalsContact O-N 3.17Å; I306-L310 HydrophobicContact CG2-CD1 3.88Å; I306-L310 HydrophobicContact CG2-CG 4.27Å; I306-L310 WeakPolarHBondContact O-CB 3.4Å; I306-L310 WeakPolarHBondContact O-CG 3.47Å; I306-L310 PolarHBondContact O-N 3.46Å
307E94.1Very high85.7Confident69 Ų69113 Ų11332%0.32258%0.575SS.*Hα-helixtrans-63.8-30.9178.2-74.3176.7179.900113.3R303 I305 R311R303-E307 HydrophobicContact CG-CG 4.33Å; R303-E307 WeakPolarHBondContact CG-OE1 3.24Å; R303-E307 IonicContact CZ-OE1 3.9Å; R303-E307 IonicContact NE-OE1 3.06Å; R303-E307 PolarHBondContact NE-OE1 3.12Å; R303-E307 IonicContact NH2-OE1 3.26Å; R303-E307 PolarHBondContact NH2-OE1 2.94Å; R303-E307 WeakPolarHBondContact O-CB 3.49Å; R303-E307 WeakPolarHBondContact O-CG 3.44Å; R303-E307 PolarHBondContact O-N 3.1Å; I305-E307 PolarHBondContact O-N 3.14Å; E307-R311 PolarHBondContact O-N 3.48Å; E307-R311 PolarHBondContact O-NE 3.48Å
308K92.5Very high83.4Confident126 Ų126114.3 Ų114.355%0.54859%0.59SS.*Hα-helixtrans-69.3-47.6171.3-78.3176.8179.8179.50110.9C304 I305 I306 L310 R311 C312C304-K308 WeakPolarHBondContact O-CB 3.34Å; C304-K308 WeakPolarHBondContact O-CG 3.05Å; C304-K308 PolarHBondContact O-N 3.19Å; I305-K308 WeakPolarHBondContact O-CB 3.32Å; I305-K308 PolarHBondContact O-N 2.72Å; I306-K308 VanDerWaalsContact C-N 3.28Å; I306-K308 PolarHBondContact O-N 3.31Å; K308-L310 VanDerWaalsContact C-N 3.34Å; K308-L310 PolarHBondContact O-N 2.78Å; K308-R311 PolarHBondContact O-N 3.29Å; K308-C312 PolarHBondContact O-N 3.36Å; K308-C312 PolarHBondContact O-SG 3.33Å
309Q90.8Very high81.2Confident130 Ų130111.7 Ų111.761%0.60760%0.597SS**Hα-helixtrans-60.7-43178.2-74.2-178-14.700112I305 I306 R311 C312 L313I305-Q309 PolarHBondContact O-N 3.49Å; I306-Q309 PolarHBondContact O-N 3.08Å; I306-Q309 VanDerWaalsContact O-N 3.17Å; Q309-R311 VanDerWaalsContact C-N 3.3Å; Q309-R311 PolarHBondContact O-N 3.49Å; Q309-C312 PolarHBondContact O-N 2.79Å; Q309-C312 VanDerWaalsContact O-N 3.12Å; Q309-L313 PolarHBondContact O-N 3.16Å
310L90.6Very high78.4Confident108 Ų108116.9 Ų116.957%0.56563%0.63SS**Hα-helixtrans-61.7-35.9176.4-71.6172.6000112.6I306 K308 L313I306-L310 HydrophobicContact CG2-CD1 3.88Å; I306-L310 HydrophobicContact CG2-CG 4.27Å; I306-L310 WeakPolarHBondContact O-CB 3.4Å; I306-L310 WeakPolarHBondContact O-CG 3.47Å; I306-L310 PolarHBondContact O-N 3.46Å; K308-L310 VanDerWaalsContact C-N 3.34Å; K308-L310 PolarHBondContact O-N 2.78Å; L310-L313 HydrophobicContact CD2-CD1 4.04Å
311R86.4Confident77.5Confident191 Ų191118.5 Ų118.572%0.72164%0.635SS**Hα-helixtrans-73.6-25.8174.6-87.8-176.2-83.6-170.6-11.5113.9E307 K308 Q309 L313E307-R311 PolarHBondContact O-N 3.48Å; E307-R311 PolarHBondContact O-NE 3.48Å; K308-R311 PolarHBondContact O-N 3.29Å; Q309-R311 VanDerWaalsContact C-N 3.3Å; Q309-R311 PolarHBondContact O-N 3.49Å; R311-L313 VanDerWaalsContact C-N 3.34Å
312C77.4Confident76.4Confident109 Ų109117.7 Ų117.774%0.73664%0.638SS**THydrogen-bonded Turntrans-88.3-0.6177.8-65.80000113.2K308 Q309 P314K308-C312 PolarHBondContact O-N 3.36Å; K308-C312 PolarHBondContact O-SG 3.33Å; Q309-C312 PolarHBondContact O-N 2.79Å; Q309-C312 VanDerWaalsContact O-N 3.12Å; C312-P314 WeakPolarHBondContact O-CD 3.39Å
313L66.9Low75.3Confident115 Ų115119.6 Ų119.660%0.60265%0.649SS**SBendtrans-70.3122.2169.2-74.7167.2000108.4Q309 L310 R311 E315Q309-L313 PolarHBondContact O-N 3.16Å; L310-L313 HydrophobicContact CD2-CD1 4.04Å; R311-L313 VanDerWaalsContact C-N 3.34Å; L313-E315 PolarHBondContact O-N 2.9Å
314P62.7Low74Confident112 Ų112119 Ų11973%0.72766%0.658SS**PPolyproline II helixtrans-61.5135.317624.4-30.3000109.1C312 G316C312-P314 WeakPolarHBondContact O-CD 3.39Å; P314-G316 PolarHBondContact O-N 2.88Å
315E59Low72.6Confident190 Ų190123.1 Ų123.189%0.88868%0.677SS**PPolyproline II helixtrans-48.9125.8162.6-74.4-179.8162.500107.1L313 T317L313-E315 PolarHBondContact O-N 2.9Å; E315-T317 PolarHBondContact O-N 3.03Å
316G57.2Low71.1Confident69 Ų69127 Ų12771%0.71170%0.7SS**  trans-43.5129.7-173.200000110.2P314 A318P314-G316 PolarHBondContact O-N 2.88Å; G316-A318 VanDerWaalsContact C-N 3.32Å; G316-A318 PolarHBondContact O-N 2.79Å
317T52.1Low69.4Low127 Ų127129.4 Ų129.478%0.77972%0.715SS**  trans-47.1103.9167.9-34.70000106.6E315 C319E315-T317 PolarHBondContact O-N 3.03Å; T317-C319 PolarHBondContact O-N 3.35Å
318A50.4Low67.5Low87 Ų87134 Ų13472%0.71975%0.746SS**  trans-60.498.8168.800000105.2G316 M320G316-A318 VanDerWaalsContact C-N 3.32Å; G316-A318 PolarHBondContact O-N 2.79Å; A318-M320 VanDerWaalsContact C-N 3.3Å; A318-M320 PolarHBondContact O-N 3.42Å
319C51Low65.4Low124 Ų124134.7 Ų134.784%0.83876%0.762SS**  trans-65.4101.1165.3-73.80000105.5T317T317-C319 PolarHBondContact O-N 3.35Å
320M40Very low63.1Low254 Ų254135.1 Ų135.1100%1.25178%0.776SS**  trans-60.30164.8-74.6-105.8-84.700110.8A318A318-M320 VanDerWaalsContact C-N 3.3Å; A318-M320 PolarHBondContact O-N 3.42Å

Retrieved 320 of 320 residues in 1968.1 ms (Link to these results)

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