A0A087YLM8_POEFO Loading...

RecQ-mediated genome instability protein 1

Essential component of the RMI complex, a complex that plays an important role in the processing of homologous recombination intermediates to limit DNA crossover formation in cells. Promotes TOP3A binding to double Holliday junctions (DHJ) and hence stimulates TOP3A-mediated dissolution. Required for BLM phosphorylation during mitosis. Within the BLM complex, required for BLM and TOP3A stability.

AlphaFold DB , UniProt , Accession A0A087YLM8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 642 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
1M41.4Very low76.7Confident241 Ų24184.3 Ų84.3100%1.18747%0.466SS*.  0141.80-77.5157138.800107.1
2A50.1Low78.4Confident68 Ų6877.3 Ų77.356%0.56243%0.427SS*.PPolyproline II helixtrans-64150.8161.900000108.8E4A2-E4 PolarHBondContact O-N 3.3Å
3P55.2Low79.9Confident86 Ų8675 Ų7556%0.55841%0.412SS*.PPolyproline II helixtrans-64.2130.6169.328.9-33.7000109V8P3-V8 HydrophobicContact CB-CG2 3.79Å; P3-V8 HydrophobicContact CG-CG2 3.65Å
4E69.4Low81.2Confident153 Ų15373.5 Ų73.572%0.71541%0.414SS*.PPolyproline II helixtrans-61.5142.9172.8-61.1176.9166.700109.4A2 P6 S7 V8A2-E4 PolarHBondContact O-N 3.3Å; E4-P6 VanDerWaalsContact C-CD 3.42Å; E4-P6 VanDerWaalsContact C-N 3.34Å; E4-P6 VanDerWaalsContact O-N 3.17Å; E4-S7 WeakPolarHBondContact O-CA 3.24Å; E4-S7 WeakPolarHBondContact O-CB 3.44Å; E4-S7 PolarHBondContact O-N 3.4Å; E4-V8 PolarHBondContact O-N 3.16Å
5T74.7Confident82.3Confident53 Ų5372.5 Ų72.533%0.32540%0.402SS..Hα-helixtrans-51.6-40.4-173.2370000114.3S7 V8 V9T5-S7 PolarHBondContact O-N 3.43Å; T5-S7 VanDerWaalsContact O-N 3.16Å; T5-V8 PolarHBondContact O-N 2.85Å; T5-V8 VanDerWaalsContact O-N 3.12Å; T5-V9 WeakPolarHBondContact O-CG2 3.44Å; T5-V9 PolarHBondContact O-N 3.02Å
6P84.7Confident83.3Confident49 Ų4968.1 Ų68.132%0.31838%0.377SS..Hα-helixtrans-64.8-21.4176.6-2235.1000114.3E4 R10E4-P6 VanDerWaalsContact C-CD 3.42Å; E4-P6 VanDerWaalsContact C-N 3.34Å; E4-P6 VanDerWaalsContact O-N 3.17Å; P6-R10 WeakPolarHBondContact O-CB 3.44Å; P6-R10 WeakPolarHBondContact O-CD 3.34Å; P6-R10 VanDerWaalsContact O-CG 3.24Å; P6-R10 WeakPolarHBondContact O-CG 3.46Å; P6-R10 PolarHBondContact O-N 3.12Å
7S88.6Confident84Confident71 Ų7169.1 Ų69.150%0.49738%0.378SS..Hα-helixtrans-74.9-43.4174.5-164.70000111E4 T5 R10 A11E4-S7 WeakPolarHBondContact O-CA 3.24Å; E4-S7 WeakPolarHBondContact O-CB 3.44Å; E4-S7 PolarHBondContact O-N 3.4Å; T5-S7 PolarHBondContact O-N 3.43Å; T5-S7 VanDerWaalsContact O-N 3.16Å; S7-R10 PolarHBondContact O-N 3.49Å; S7-A11 WeakPolarHBondContact O-CB 3.47Å; S7-A11 PolarHBondContact O-N 2.93Å
8V91.8Very high84.7Confident5 Ų569.9 Ų69.93%0.0339%0.39CS..Hα-helixtrans-63.2-48.6176.6-177.50000110.7P3 E4 T5 R10 A11 T12 V33 Q48 I51P3-V8 HydrophobicContact CB-CG2 3.79Å; P3-V8 HydrophobicContact CG-CG2 3.65Å; E4-V8 PolarHBondContact O-N 3.16Å; T5-V8 PolarHBondContact O-N 2.85Å; T5-V8 VanDerWaalsContact O-N 3.12Å; V8-R10 PolarHBondContact O-N 3.41Å; V8-A11 PolarHBondContact O-N 3.47Å; V8-A11 VanDerWaalsContact O-N 3.17Å; V8-T12 PolarHBondContact O-N 3.32Å; V8-T12 PolarHBondContact O-OG1 3.08Å; V8-V33 HydrophobicContact CG1-CG1 4.02Å; V8-Q48 PolarHBondContact O-NE2 3.36Å; V8-I51 HydrophobicContact CG1-CD1 3.64Å; V8-I51 HydrophobicContact CG1-CG2 4.11Å
9V95.8Very high85.2Confident1 Ų169 Ų691%0.00639%0.389CS..Hα-helixtrans-56-48178.2172.40000111T5 A11 T12 Q13 F26 L29 E30 V33T5-V9 WeakPolarHBondContact O-CG2 3.44Å; T5-V9 PolarHBondContact O-N 3.02Å; V9-A11 PolarHBondContact O-N 3.34Å; V9-T12 PolarHBondContact O-N 3.28Å; V9-Q13 WeakPolarHBondContact O-CB 3.42Å; V9-Q13 PolarHBondContact O-N 2.85Å; V9-F26 HydrophobicContact CB-CZ 4.38Å; V9-F26 HydrophobicContact CG1-CD2 4.12Å; V9-F26 HydrophobicContact CG1-CE1 4.24Å; V9-F26 HydrophobicContact CG1-CE2 3.49Å; V9-F26 VanDerWaalsContact CG1-CE2 3.49Å; V9-F26 HydrophobicContact CG1-CZ 3.56Å; V9-L29 HydrophobicContact CG1-CD2 4.03Å; V9-L29 HydrophobicContact CG1-CG 4.02Å; V9-L29 WeakPolarHBondContact O-CD2 3.48Å; V9-E30 HydrophobicContact CG1-CB 4.38Å; V9-E30 HydrophobicContact CG2-CB 4.4Å; V9-E30 HydrophobicContact CG2-CG 4.43Å; V9-V33 HydrophobicContact CG2-CB 3.97Å; V9-V33 HydrophobicContact CG2-CG1 4Å; V9-V33 HydrophobicContact CG2-CG2 4.22Å
10R96.2Very high85.7Confident161 Ų16169.8 Ų69.861%0.60839%0.385SS*.Hα-helixtrans-65.7-37.4177.4-73.1173.7-175.9159.95.2113.2P6 S7 V8 Q13 A14 F26P6-R10 WeakPolarHBondContact O-CB 3.44Å; P6-R10 WeakPolarHBondContact O-CD 3.34Å; P6-R10 VanDerWaalsContact O-CG 3.24Å; P6-R10 WeakPolarHBondContact O-CG 3.46Å; P6-R10 PolarHBondContact O-N 3.12Å; S7-R10 PolarHBondContact O-N 3.49Å; V8-R10 PolarHBondContact O-N 3.41Å; R10-Q13 PolarHBondContact O-N 3.28Å; R10-A14 WeakPolarHBondContact O-CB 3.17Å; R10-A14 PolarHBondContact O-N 2.93Å; R10-F26 HydrophobicContact CG-CE2 4.11Å
11A96.1Very high86.2Confident39 Ų3970.3 Ų70.332%0.32239%0.385SS..Hα-helixtrans-66.3-38.1175.700000111.9S7 V8 V9 W15 Q48S7-A11 WeakPolarHBondContact O-CB 3.47Å; S7-A11 PolarHBondContact O-N 2.93Å; V8-A11 PolarHBondContact O-N 3.47Å; V8-A11 VanDerWaalsContact O-N 3.17Å; V9-A11 PolarHBondContact O-N 3.34Å; A11-W15 WeakPolarHBondContact O-CB 3.37Å; A11-W15 PolarHBondContact O-N 2.99Å; A11-W15 VanDerWaalsContact O-N 3.11Å; A11-Q48 HydrophobicContact CB-CG 4.3Å
12T97.3Very high88.9Confident0 Ų058.9 Ų58.90%033%0.328CS..Hα-helixtrans-67.6-43.3172-56.90000111.9V8 V9 A14 W15 L16 L29 Q48 N52 V55V8-T12 PolarHBondContact O-N 3.32Å; V8-T12 PolarHBondContact O-OG1 3.08Å; V9-T12 PolarHBondContact O-N 3.28Å; T12-A14 PolarHBondContact O-N 2.99Å; T12-W15 PolarHBondContact O-N 2.93Å; T12-W15 VanDerWaalsContact O-N 3.16Å; T12-L16 HydrophobicContact CG2-CD1 4.16Å; T12-L16 HydrophobicContact CG2-CG 4.32Å; T12-L16 WeakPolarHBondContact O-CG 3.45Å; T12-L16 PolarHBondContact O-N 3.42Å; T12-L29 HydrophobicContact CG2-CD1 3.94Å; T12-Q48 PolarHBondContact OG1-NE2 3.47Å; T12-N52 VanDerWaalsContact CA-OD1 3.31Å; T12-N52 WeakPolarHBondContact CA-OD1 3.45Å; T12-N52 WeakPolarHBondContact CB-OD1 3.38Å; T12-N52 PolarHBondContact OG1-OD1 2.93Å; T12-V55 HydrophobicContact CG2-CB 4.01Å; T12-V55 HydrophobicContact CG2-CG1 3.88Å; T12-V55 HydrophobicContact CG2-CG2 4.12Å
13Q97.6Very high91.1Very high48 Ų4859.8 Ų59.822%0.22432%0.321CS..Hα-helixtrans-58.4-49.1177.6-161.917923.200111.6V9 R10 W15 L16 Q17 L29V9-Q13 WeakPolarHBondContact O-CB 3.42Å; V9-Q13 PolarHBondContact O-N 2.85Å; R10-Q13 PolarHBondContact O-N 3.28Å; Q13-W15 VanDerWaalsContact C-N 3.28Å; Q13-W15 PolarHBondContact O-N 2.99Å; Q13-L16 PolarHBondContact O-N 3.06Å; Q13-Q17 WeakPolarHBondContact O-CG 3.39Å; Q13-Q17 PolarHBondContact O-N 3.29Å; Q13-L29 HydrophobicContact CB-CD2 3.52Å; Q13-L29 HydrophobicContact CG-CD2 3.93Å
14A97.6Very high93.1Very high54 Ų5456 Ų5645%0.44630%0.296SS..Hα-helixtrans-63-34.7177.600000112.2R10 T12 S18R10-A14 WeakPolarHBondContact O-CB 3.17Å; R10-A14 PolarHBondContact O-N 2.93Å; T12-A14 PolarHBondContact O-N 2.99Å; A14-S18 VanDerWaalsContact O-CB 3.25Å; A14-S18 WeakPolarHBondContact O-CB 3.27Å; A14-S18 PolarHBondContact O-N 3.49Å; A14-S18 PolarHBondContact O-OG 3.17Å
15W98.2Very high94.4Very high59 Ų5950.1 Ų50.122%0.22327%0.271CS..Hα-helixtrans-70.7-44.5175.5179.186.9000112.7A11 T12 Q13 Q17 S18 S19 R20 N52 L56A11-W15 WeakPolarHBondContact O-CB 3.37Å; A11-W15 PolarHBondContact O-N 2.99Å; A11-W15 VanDerWaalsContact O-N 3.11Å; T12-W15 PolarHBondContact O-N 2.93Å; T12-W15 VanDerWaalsContact O-N 3.16Å; Q13-W15 VanDerWaalsContact C-N 3.28Å; Q13-W15 PolarHBondContact O-N 2.99Å; W15-Q17 VanDerWaalsContact C-N 3.34Å; W15-Q17 PolarHBondContact O-N 3.4Å; W15-S18 PolarHBondContact O-N 3.41Å; W15-S18 PolarHBondContact O-OG 3.48Å; W15-S19 WeakPolarHBondContact O-CA 3.14Å; W15-S19 WeakPolarHBondContact O-CB 3.22Å; W15-S19 PolarHBondContact O-N 2.88Å; W15-S19 PolarHBondContact O-OG 3.32Å; W15-R20 HydrophobicContact CH2-CG 4.33Å; W15-R20 HydrophobicContact CZ3-CG 4.33Å; W15-N52 VanDerWaalsContact CB-ND2 3.28Å; W15-N52 WeakPolarHBondContact CB-ND2 3.27Å; W15-N52 HydrophobicContact CD2-CB 3.78Å; W15-N52 HydrophobicContact CE3-CB 3.64Å; W15-N52 HydrophobicContact CG-CB 4.34Å; W15-N52 HydrophobicContact CH2-CB 4.2Å; W15-N52 HydrophobicContact CZ2-CB 4.35Å; W15-N52 HydrophobicContact CZ3-CB 3.86Å; W15-N52 WeakPolarHBondContact CZ3-O 3.45Å; W15-L56 HydrophobicContact CH2-CB 4.41Å; W15-L56 HydrophobicContact CH2-CD2 3.96Å; W15-L56 HydrophobicContact CZ3-CB 4.16Å; W15-L56 HydrophobicContact CZ3-CD2 4.32Å
16L97.8Very high95.5Very high1 Ų151 Ų511%0.00527%0.271CS..Hα-helixtrans-57.4-48.2175.7-74.1170.9000110.9T12 Q13 R20 H21 V22 V24 L29 V55 L56T12-L16 HydrophobicContact CG2-CD1 4.16Å; T12-L16 HydrophobicContact CG2-CG 4.32Å; T12-L16 WeakPolarHBondContact O-CG 3.45Å; T12-L16 PolarHBondContact O-N 3.42Å; Q13-L16 PolarHBondContact O-N 3.06Å; L16-R20 CarbonylContact O-C 3.43Å; L16-R20 WeakPolarHBondContact O-CA 3.48Å; L16-R20 WeakPolarHBondContact O-CB 3.42Å; L16-R20 PolarHBondContact O-N 2.98Å; L16-H21 PolarHBondContact O-N 3.37Å; L16-V22 CarbonylContact C-O 3.46Å; L16-V22 HydrophobicContact CB-CB 4.21Å; L16-V22 HydrophobicContact CB-CG1 4.42Å; L16-V22 HydrophobicContact CD2-CB 4.24Å; L16-V22 HydrophobicContact CD2-CG1 4.17Å; L16-V22 PolarHBondContact O-N 2.9Å; L16-V22 VanDerWaalsContact O-N 3.14Å; L16-V24 HydrophobicContact CD1-CG2 4.08Å; L16-L29 HydrophobicContact CD1-CD1 4.12Å; L16-V55 HydrophobicContact CD1-CG1 3.97Å; L16-L56 HydrophobicContact CD2-CB 4.34Å; L16-L56 HydrophobicContact CD2-CD1 4.2Å
17Q96.3Very high96Very high85 Ų8552 Ų5240%0.39728%0.283SS..Hα-helixtrans-64-49.2178.8-70.5174.2-16.600112.1Q13 W15 H21 V22Q13-Q17 WeakPolarHBondContact O-CG 3.39Å; Q13-Q17 PolarHBondContact O-N 3.29Å; W15-Q17 VanDerWaalsContact C-N 3.34Å; W15-Q17 PolarHBondContact O-N 3.4Å; Q17-H21 WeakPolarHBondContact O-CA 3.46Å; Q17-H21 PolarHBondContact O-N 3.21Å; Q17-V22 PolarHBondContact N-O 3.08Å
18S95.6Very high96.4Very high85 Ų8551 Ų5159%0.59427%0.269SS*.Hα-helixtrans-78.8-31.4-174.960.50000115.3A14 W15A14-S18 VanDerWaalsContact O-CB 3.25Å; A14-S18 WeakPolarHBondContact O-CB 3.27Å; A14-S18 PolarHBondContact O-N 3.49Å; A14-S18 PolarHBondContact O-OG 3.17Å; W15-S18 PolarHBondContact O-N 3.41Å; W15-S18 PolarHBondContact O-OG 3.48Å
19S95.1Very high96.7Very high52 Ų5250.8 Ų50.836%0.36427%0.267SS..Hα-helixtrans-109.3-12.6-170.5-55.40000113.9W15W15-S19 WeakPolarHBondContact O-CA 3.14Å; W15-S19 WeakPolarHBondContact O-CB 3.22Å; W15-S19 PolarHBondContact O-N 2.88Å; W15-S19 PolarHBondContact O-OG 3.32Å
20R95.1Very high96.7Very high84 Ų8453.9 Ų53.932%0.31728%0.282SS..Hα-helixtrans-133.1-16.2179.2-61.2-66.5-176.1-119.89.7114.3W15 L16 V22 L56W15-R20 HydrophobicContact CH2-CG 4.33Å; W15-R20 HydrophobicContact CZ3-CG 4.33Å; L16-R20 CarbonylContact O-C 3.43Å; L16-R20 WeakPolarHBondContact O-CA 3.48Å; L16-R20 WeakPolarHBondContact O-CB 3.42Å; L16-R20 PolarHBondContact O-N 2.98Å; R20-V22 HydrophobicContact CB-CB 4.22Å; R20-V22 HydrophobicContact CB-CG2 3.81Å; R20-V22 PolarHBondContact O-N 3.16Å; R20-L56 HydrophobicContact CG-CD1 4.22Å; R20-L56 HydrophobicContact CG-CD2 4.02Å
21H96.9Very high96.7Very high82 Ų8248.9 Ų48.938%0.3828%0.275SS..  trans61.717.3-168-4991.8000114.1L16 Q17 T87L16-H21 PolarHBondContact O-N 3.37Å; Q17-H21 WeakPolarHBondContact O-CA 3.46Å; Q17-H21 PolarHBondContact O-N 3.21Å; H21-T87 HydrophobicContact CB-CG2 3.57Å
22V97.6Very high96.7Very high0 Ų047.7 Ų47.70%026%0.264CS..  trans-79130.6177.3168.70000109L16 Q17 R20 V24 L56 W59 C89L16-V22 CarbonylContact C-O 3.46Å; L16-V22 HydrophobicContact CB-CB 4.21Å; L16-V22 HydrophobicContact CB-CG1 4.42Å; L16-V22 HydrophobicContact CD2-CB 4.24Å; L16-V22 HydrophobicContact CD2-CG1 4.17Å; L16-V22 PolarHBondContact O-N 2.9Å; L16-V22 VanDerWaalsContact O-N 3.14Å; Q17-V22 PolarHBondContact N-O 3.08Å; R20-V22 HydrophobicContact CB-CB 4.22Å; R20-V22 HydrophobicContact CB-CG2 3.81Å; R20-V22 PolarHBondContact O-N 3.16Å; V22-V24 HydrophobicContact CG1-CG1 3.95Å; V22-L56 HydrophobicContact CG2-CD1 4.39Å; V22-W59 HydrophobicContact CG1-CD2 3.74Å; V22-W59 HydrophobicContact CG1-CE3 4.29Å; V22-W59 HydrophobicContact CG1-CG 4.02Å; V22-W59 HydrophobicContact CG1-CZ2 4.12Å; V22-W59 HydrophobicContact CG2-CD2 4.2Å; V22-W59 HydrophobicContact CG2-CE3 3.92Å; V22-W59 HydrophobicContact CG2-CH2 3.76Å; V22-W59 HydrophobicContact CG2-CZ2 4.03Å; V22-W59 HydrophobicContact CG2-CZ3 3.69Å; V22-C89 HydrophobicContact CG2-CB 4.41Å
23Q96.3Very high96.6Very high88 Ų8847.7 Ų47.741%0.41126%0.264SS..  trans-117.4136.8174.5-59.4-172.490.300108.4V71Q23-V71 HydrophobicContact CB-CG1 4.01Å
24V97Very high96.4Very high5 Ų550.7 Ų50.73%0.0328%0.278CS..  trans-145.4152.2-176.8-66.20000110.2L16 V22 W28 L29 W59 L67L16-V24 HydrophobicContact CD1-CG2 4.08Å; V22-V24 HydrophobicContact CG1-CG1 3.95Å; V24-W28 HydrophobicContact CB-CE3 3.82Å; V24-W28 HydrophobicContact CB-CZ3 4.18Å; V24-W28 HydrophobicContact CG1-CE3 4Å; V24-W28 HydrophobicContact CG1-CZ3 3.94Å; V24-W28 HydrophobicContact CG2-CE3 4.02Å; V24-W28 HydrophobicContact CG2-CZ3 4.18Å; V24-L29 HydrophobicContact CG2-CB 4.05Å; V24-L29 HydrophobicContact CG2-CD1 4.43Å; V24-L29 HydrophobicContact CG2-CD2 4.26Å; V24-L29 HydrophobicContact CG2-CG 4.49Å; V24-W59 VanDerWaalsContact CG1-CD1 3.48Å; V24-W59 HydrophobicContact CG1-CG 4.4Å; V24-L67 HydrophobicContact CB-CD2 4.26Å; V24-L67 HydrophobicContact CG1-CD2 3.81Å
25P97.4Very high96.1Very high31 Ų3154.2 Ų54.220%0.20128%0.28CS..  trans-58.1140.3170.8-20.731000111.7A27 W28 L29 L67 H69P25-A27 VanDerWaalsContact C-N 3.3Å; P25-A27 PolarHBondContact O-N 2.95Å; P25-W28 HydrophobicContact CB-CB 4.11Å; P25-W28 HydrophobicContact CG-CB 4.32Å; P25-W28 PolarHBondContact O-N 3.08Å; P25-L29 PolarHBondContact O-N 3.2Å; P25-L29 VanDerWaalsContact O-N 3.08Å; P25-L67 HydrophobicContact CG-CB 4.17Å; P25-L67 HydrophobicContact CG-CG 4.43Å; P25-L67 WeakPolarHBondContact CG-O 3.38Å; P25-H69 HydrophobicContact CG-CB 3.93Å
26F95.8Very high95.9Very high70 Ų7051.5 Ų51.531%0.30727%0.27SS..Hα-helixtrans-60.9-39.5178.1-172.8-87.7000112.1V9 R10 L29 E30V9-F26 HydrophobicContact CB-CZ 4.38Å; V9-F26 HydrophobicContact CG1-CD2 4.12Å; V9-F26 HydrophobicContact CG1-CE1 4.24Å; V9-F26 HydrophobicContact CG1-CE2 3.49Å; V9-F26 VanDerWaalsContact CG1-CE2 3.49Å; V9-F26 HydrophobicContact CG1-CZ 3.56Å; R10-F26 HydrophobicContact CG-CE2 4.11Å; F26-L29 PolarHBondContact O-N 2.89Å; F26-E30 HydrophobicContact CE1-CB 4.35Å; F26-E30 WeakPolarHBondContact CE1-OE1 3.42Å; F26-E30 WeakPolarHBondContact O-CB 3.33Å; F26-E30 PolarHBondContact O-N 3.02Å
27A96.1Very high95.4Very high71 Ų7154.8 Ų54.859%0.58729%0.285SS*.Hα-helixtrans-66.4-38.8179.300000113.1P25 L29 A31P25-A27 VanDerWaalsContact C-N 3.3Å; P25-A27 PolarHBondContact O-N 2.95Å; A27-L29 VanDerWaalsContact C-N 3.35Å; A27-A31 WeakPolarHBondContact O-CB 3.49Å; A27-A31 PolarHBondContact O-N 3.26Å; A27-A31 VanDerWaalsContact O-N 3.08Å
28W97.6Very high94.9Very high50 Ų5053.4 Ų53.419%0.18929%0.294CS..Hα-helixtrans-62.3-45172.5176.993.5000110.6V24 P25 A31 C32 V55 W59 L67V24-W28 HydrophobicContact CB-CE3 3.82Å; V24-W28 HydrophobicContact CB-CZ3 4.18Å; V24-W28 HydrophobicContact CG1-CE3 4Å; V24-W28 HydrophobicContact CG1-CZ3 3.94Å; V24-W28 HydrophobicContact CG2-CE3 4.02Å; V24-W28 HydrophobicContact CG2-CZ3 4.18Å; P25-W28 HydrophobicContact CB-CB 4.11Å; P25-W28 HydrophobicContact CG-CB 4.32Å; P25-W28 PolarHBondContact O-N 3.08Å; W28-A31 PolarHBondContact O-N 3.34Å; W28-C32 HydrophobicContact CH2-CB 4.35Å; W28-C32 HydrophobicContact CZ3-CB 4.36Å; W28-C32 WeakPolarHBondContact O-CB 3.31Å; W28-C32 PolarHBondContact O-N 3.46Å; W28-V55 HydrophobicContact CH2-CG1 4.32Å; W28-V55 HydrophobicContact CZ3-CG1 4.1Å; W28-W59 HydrophobicContact CH2-CB 3.84Å; W28-W59 HydrophobicContact CZ2-CB 4.44Å; W28-L67 HydrophobicContact CD2-CG 4.44Å; W28-L67 HydrophobicContact CG-CD1 4.4Å; W28-L67 HydrophobicContact CG-CG 4.19Å
29L97.4Very high94.4Very high0 Ų056 Ų560%030%0.297CS..Hα-helixtrans-67.3-38.7-179.3-177.563.5000112.6V9 T12 Q13 L16 V24 P25 F26 A27 V33 V55V9-L29 HydrophobicContact CG1-CD2 4.03Å; V9-L29 HydrophobicContact CG1-CG 4.02Å; V9-L29 WeakPolarHBondContact O-CD2 3.48Å; T12-L29 HydrophobicContact CG2-CD1 3.94Å; Q13-L29 HydrophobicContact CB-CD2 3.52Å; Q13-L29 HydrophobicContact CG-CD2 3.93Å; L16-L29 HydrophobicContact CD1-CD1 4.12Å; V24-L29 HydrophobicContact CG2-CB 4.05Å; V24-L29 HydrophobicContact CG2-CD1 4.43Å; V24-L29 HydrophobicContact CG2-CD2 4.26Å; V24-L29 HydrophobicContact CG2-CG 4.49Å; P25-L29 PolarHBondContact O-N 3.2Å; P25-L29 VanDerWaalsContact O-N 3.08Å; F26-L29 PolarHBondContact O-N 2.89Å; A27-L29 VanDerWaalsContact C-N 3.35Å; L29-V33 HydrophobicContact CD1-CG2 4.3Å; L29-V33 WeakPolarHBondContact O-CB 3.4Å; L29-V33 VanDerWaalsContact O-CG2 3.27Å; L29-V33 WeakPolarHBondContact O-CG2 3.3Å; L29-V33 PolarHBondContact O-N 3.36Å; L29-V55 HydrophobicContact CD1-CG1 3.43Å; L29-V55 VanDerWaalsContact CD1-CG1 3.43Å; L29-V55 HydrophobicContact CD1-CG2 4.37Å
30E96.3Very high93.4Very high66 Ų6655.9 Ų55.931%0.30829%0.294SS..Hα-helixtrans-62.1-52.1175.4-171.5159.9-115.600110.6V9 F26 C32 V33 E34V9-E30 HydrophobicContact CG1-CB 4.38Å; V9-E30 HydrophobicContact CG2-CB 4.4Å; V9-E30 HydrophobicContact CG2-CG 4.43Å; F26-E30 HydrophobicContact CE1-CB 4.35Å; F26-E30 WeakPolarHBondContact CE1-OE1 3.42Å; F26-E30 WeakPolarHBondContact O-CB 3.33Å; F26-E30 PolarHBondContact O-N 3.02Å; E30-C32 PolarHBondContact O-N 3.23Å; E30-V33 PolarHBondContact O-N 2.83Å; E30-E34 WeakPolarHBondContact O-CG 3.39Å; E30-E34 PolarHBondContact O-N 3.06Å
31A96.1Very high91.9Very high57 Ų5754.9 Ų54.947%0.47131%0.31SS..Hα-helixtrans-61.5-39.6176.300000113.2A27 W28 E34 W35A27-A31 WeakPolarHBondContact O-CB 3.49Å; A27-A31 PolarHBondContact O-N 3.26Å; A27-A31 VanDerWaalsContact O-N 3.08Å; W28-A31 PolarHBondContact O-N 3.34Å; A31-E34 PolarHBondContact O-N 3.38Å; A31-W35 WeakPolarHBondContact O-CB 3.44Å; A31-W35 PolarHBondContact O-N 2.72Å
32C96.2Very high90Very high13 Ų1354.5 Ų54.59%0.08833%0.328CS..Hα-helixtrans-63.7-43.8176.9-174.90000111.7W28 E30 W35 I36W28-C32 HydrophobicContact CH2-CB 4.35Å; W28-C32 HydrophobicContact CZ3-CB 4.36Å; W28-C32 WeakPolarHBondContact O-CB 3.31Å; W28-C32 PolarHBondContact O-N 3.46Å; E30-C32 PolarHBondContact O-N 3.23Å; C32-W35 PolarHBondContact O-N 3.01Å; C32-I36 WeakPolarHBondContact O-CB 3.34Å; C32-I36 WeakPolarHBondContact O-CD1 3.25Å; C32-I36 WeakPolarHBondContact O-CG1 3.46Å; C32-I36 PolarHBondContact O-N 3.44Å
33V94.6Very high87.8Confident0 Ų058.6 Ų58.60%036%0.362CS..Hα-helixtrans-68.1-38.6176.7170.30000111.7V8 V9 L29 E30 Q37 I51 V55V8-V33 HydrophobicContact CG1-CG1 4.02Å; V9-V33 HydrophobicContact CG2-CB 3.97Å; V9-V33 HydrophobicContact CG2-CG1 4Å; V9-V33 HydrophobicContact CG2-CG2 4.22Å; L29-V33 HydrophobicContact CD1-CG2 4.3Å; L29-V33 WeakPolarHBondContact O-CB 3.4Å; L29-V33 VanDerWaalsContact O-CG2 3.27Å; L29-V33 WeakPolarHBondContact O-CG2 3.3Å; L29-V33 PolarHBondContact O-N 3.36Å; E30-V33 PolarHBondContact O-N 2.83Å; V33-Q37 VanDerWaalsContact CG1-NE2 3.29Å; V33-Q37 WeakPolarHBondContact O-CB 3.28Å; V33-Q37 VanDerWaalsContact O-CG 3.27Å; V33-Q37 WeakPolarHBondContact O-CG 3.49Å; V33-Q37 PolarHBondContact O-N 2.87Å; V33-I51 HydrophobicContact CG1-CG2 4.28Å; V33-I51 HydrophobicContact CG2-CG2 4.02Å; V33-V55 HydrophobicContact CG2-CG2 3.8Å
34E92.7Very high86.3Confident112 Ų11260.9 Ų60.952%0.52338%0.377SS..Hα-helixtrans-64.3-43.4174.4-73.7-170.4158.800112.1E30 A31 Q37 G38E30-E34 WeakPolarHBondContact O-CG 3.39Å; E30-E34 PolarHBondContact O-N 3.06Å; A31-E34 PolarHBondContact O-N 3.38Å; E34-Q37 PolarHBondContact O-N 3.16Å; E34-G38 PolarHBondContact O-N 2.88Å
35W93.4Very high85.3Confident127 Ų12768.8 Ų68.848%0.48141%0.413SS..Hα-helixtrans-61.7-49.7175.8176.468.4000112.1A31 C32 Q37 G38 E39 Q58A31-W35 WeakPolarHBondContact O-CB 3.44Å; A31-W35 PolarHBondContact O-N 2.72Å; C32-W35 PolarHBondContact O-N 3.01Å; W35-Q37 VanDerWaalsContact C-N 3.26Å; W35-Q37 PolarHBondContact O-N 2.98Å; W35-G38 PolarHBondContact O-N 3.06Å; W35-G38 VanDerWaalsContact O-N 3.08Å; W35-E39 HydrophobicContact CZ2-CG 4.28Å; W35-E39 PolarHBondContact O-N 3.11Å; W35-Q58 HydrophobicContact CZ3-CG 4.11Å
36I92.2Very high84.7Confident2 Ų268.9 Ų68.91%0.0141%0.412CS..Hα-helixtrans-55-40.3176.1-77.9164.3000111.9C32 T40 L46 Q54 V55C32-I36 WeakPolarHBondContact O-CB 3.34Å; C32-I36 WeakPolarHBondContact O-CD1 3.25Å; C32-I36 WeakPolarHBondContact O-CG1 3.46Å; C32-I36 PolarHBondContact O-N 3.44Å; I36-T40 PolarHBondContact O-OG1 3.44Å; I36-L46 HydrophobicContact CG2-CD1 3.46Å; I36-L46 VanDerWaalsContact CG2-CD1 3.46Å; I36-Q54 HydrophobicContact CD1-CB 3.77Å; I36-Q54 HydrophobicContact CG1-CB 4.27Å; I36-Q54 HydrophobicContact CG2-CB 4.48Å; I36-V55 HydrophobicContact CD1-CB 4.41Å; I36-V55 HydrophobicContact CD1-CG2 3.54Å
37Q88.6Confident84.5Confident70 Ų7068.2 Ų68.233%0.32742%0.416SS..Hα-helixtrans-73.8-34.4178.1-72.1178.923.200113V33 E34 W35V33-Q37 VanDerWaalsContact CG1-NE2 3.29Å; V33-Q37 WeakPolarHBondContact O-CB 3.28Å; V33-Q37 VanDerWaalsContact O-CG 3.27Å; V33-Q37 WeakPolarHBondContact O-CG 3.49Å; V33-Q37 PolarHBondContact O-N 2.87Å; E34-Q37 PolarHBondContact O-N 3.16Å; W35-Q37 VanDerWaalsContact C-N 3.26Å; W35-Q37 PolarHBondContact O-N 2.98Å
38G86Confident84.4Confident57 Ų5767.9 Ų67.959%0.58840%0.402SS*.Hα-helixtrans-65.3-47174.300000112.7E34 W35 T40 G41E34-G38 PolarHBondContact O-N 2.88Å; W35-G38 PolarHBondContact O-N 3.06Å; W35-G38 VanDerWaalsContact O-N 3.08Å; G38-T40 PolarHBondContact O-N 2.64Å; G38-G41 PolarHBondContact O-N 3Å
39E83.9Confident84.2Confident139 Ų13973.2 Ų73.265%0.6543%0.429SS*.Hα-helixtrans-66-23.6-176-151.572175.300112.9W35 G41W35-E39 HydrophobicContact CZ2-CG 4.28Å; W35-E39 PolarHBondContact O-N 3.11Å; E39-G41 PolarHBondContact O-N 3.07Å
40T75.1Confident84.1Confident49 Ų4977.8 Ų77.830%0.30145%0.451SS..THydrogen-bonded Turntrans-75.80.5-178.2-52.80000113.9I36 G38 G42 D44 L46I36-T40 PolarHBondContact O-OG1 3.44Å; G38-T40 PolarHBondContact O-N 2.64Å; T40-G42 PolarHBondContact O-N 2.93Å; T40-D44 WeakPolarHBondContact CG2-O 3.35Å; T40-L46 HydrophobicContact CG2-CD2 3.89Å; T40-L46 HydrophobicContact CG2-CG 3.94Å; T40-L46 WeakPolarHBondContact OG1-CD1 3.5Å
41G62.3Low84Confident63 Ų6374.9 Ų74.965%0.64944%0.437SS*.THydrogen-bonded Turntrans71.823.1162.800000116.5G38 E39 A43G38-G41 PolarHBondContact O-N 3Å; E39-G41 PolarHBondContact O-N 3.07Å; G41-A43 VanDerWaalsContact C-N 3.27Å; G41-A43 PolarHBondContact O-N 2.68Å
42G57.2Low84Confident74 Ų7472.6 Ų72.676%0.76342%0.417SS*.THydrogen-bonded Turntrans70.7-3.5159.200000119T40T40-G42 PolarHBondContact O-N 2.93Å
43A52.6Low84.1Confident87 Ų8775.5 Ų75.572%0.71943%0.429SS*.THydrogen-bonded Turntrans-97.7-44.3-179.500000113.7G41G41-A43 VanDerWaalsContact C-N 3.27Å; G41-A43 PolarHBondContact O-N 2.68Å
44D63.6Low84.2Confident136 Ų13678.9 Ų78.973%0.72745%0.445SS*.SBendtrans-112.5119.6178.3-81.2-52.5000110.4T40 L46T40-D44 WeakPolarHBondContact CG2-O 3.35Å; D44-L46 PolarHBondContact O-N 3.44Å
45H75.9Confident84.4Confident170 Ų17073.5 Ų73.579%0.78742%0.42SS*.PPolyproline II helixtrans-76.2120.6173.6-66.4-60.1000110.3S47H45-S47 PolarHBondContact O-N 3.4Å
46L85.3Confident84.6Confident33 Ų3368 Ų6817%0.17340%0.4CS..PPolyproline II helixtrans-55.9136172.3-64.2-179.9000111.2I36 T40 D44 Q50 I51I36-L46 HydrophobicContact CG2-CD1 3.46Å; I36-L46 VanDerWaalsContact CG2-CD1 3.46Å; T40-L46 HydrophobicContact CG2-CD2 3.89Å; T40-L46 HydrophobicContact CG2-CG 3.94Å; T40-L46 WeakPolarHBondContact OG1-CD1 3.5Å; D44-L46 PolarHBondContact O-N 3.44Å; L46-Q50 HydrophobicContact CB-CB 4.25Å; L46-Q50 HydrophobicContact CD2-CB 4.2Å; L46-I51 HydrophobicContact CB-CD1 4.09Å; L46-I51 HydrophobicContact CB-CG1 3.61Å; L46-I51 HydrophobicContact CD1-CG1 4.01Å; L46-I51 HydrophobicContact CG-CG1 4.48Å
47S91Very high84.9Confident56 Ų5671 Ų7139%0.39242%0.416SS..PPolyproline II helixtrans-67.5154.7168.768.40000111H45 Q49 Q50 I51H45-S47 PolarHBondContact O-N 3.4Å; S47-Q49 PolarHBondContact O-N 2.98Å; S47-Q50 VanDerWaalsContact CB-OE1 3.32Å; S47-Q50 PolarHBondContact O-N 3.04Å; S47-Q50 WeakPolarHBondContact OG-CG 3.47Å; S47-Q50 PolarHBondContact OG-N 3.31Å; S47-Q50 PolarHBondContact OG-OE1 3.34Å; S47-I51 PolarHBondContact O-N 3.16Å
48Q93.4Very high85.3Confident65 Ų6571.3 Ų71.330%0.30442%0.417SS..Hα-helixtrans-52-34.5176.5-171.967.662.900112.5V8 A11 T12 N52V8-Q48 PolarHBondContact O-NE2 3.36Å; A11-Q48 HydrophobicContact CB-CG 4.3Å; T12-Q48 PolarHBondContact OG1-NE2 3.47Å; Q48-N52 PolarHBondContact NE2-OD1 3.4Å; Q48-N52 VanDerWaalsContact O-CB 3.25Å; Q48-N52 WeakPolarHBondContact O-CB 3.44Å; Q48-N52 PolarHBondContact O-N 3.12Å; Q48-N52 PolarHBondContact O-OD1 2.94Å
49Q94.8Very high85.9Confident162 Ų16268.7 Ų68.776%0.75739%0.39SS*.Hα-helixtrans-68.8-38.3177.2-176.3176.6-11.900112.7S47 Q53S47-Q49 PolarHBondContact O-N 2.98Å; Q49-Q53 PolarHBondContact O-N 2.75Å
50Q94.2Very high86.6Confident95 Ų9563.1 Ų63.144%0.44436%0.364SS..Hα-helixtrans-68.5-42.9176.1-71.6160.7-72.600111.2L46 S47 Q53 Q54L46-Q50 HydrophobicContact CB-CB 4.25Å; L46-Q50 HydrophobicContact CD2-CB 4.2Å; S47-Q50 VanDerWaalsContact CB-OE1 3.32Å; S47-Q50 PolarHBondContact O-N 3.04Å; S47-Q50 WeakPolarHBondContact OG-CG 3.47Å; S47-Q50 PolarHBondContact OG-N 3.31Å; S47-Q50 PolarHBondContact OG-OE1 3.34Å; Q50-Q53 PolarHBondContact O-N 3.26Å; Q50-Q54 WeakPolarHBondContact O-CG 3.43Å; Q50-Q54 PolarHBondContact O-N 3.44Å
51I94.8Very high87.7Confident6 Ų666 Ų663%0.03138%0.376CS..Hα-helixtrans-61-47.4175.1-60.1176.6000110V8 V33 L46 S47 Q53 Q54 V55V8-I51 HydrophobicContact CG1-CD1 3.64Å; V8-I51 HydrophobicContact CG1-CG2 4.11Å; V33-I51 HydrophobicContact CG1-CG2 4.28Å; V33-I51 HydrophobicContact CG2-CG2 4.02Å; L46-I51 HydrophobicContact CB-CD1 4.09Å; L46-I51 HydrophobicContact CB-CG1 3.61Å; L46-I51 HydrophobicContact CD1-CG1 4.01Å; L46-I51 HydrophobicContact CG-CG1 4.48Å; S47-I51 PolarHBondContact O-N 3.16Å; I51-Q53 VanDerWaalsContact C-N 3.3Å; I51-Q53 PolarHBondContact O-N 2.95Å; I51-Q54 PolarHBondContact O-N 3Å; I51-V55 HydrophobicContact CG2-CG2 4.25Å; I51-V55 WeakPolarHBondContact O-CB 3.39Å; I51-V55 VanDerWaalsContact O-CG2 3.3Å; I51-V55 WeakPolarHBondContact O-CG2 3.34Å; I51-V55 PolarHBondContact O-N 3.23Å
52N97Very high89.4Confident9 Ų964.2 Ų64.25%0.04835%0.352CS..Hα-helixtrans-58-40.4177.8-73.68.2000112.9T12 W15 Q48 L56T12-N52 VanDerWaalsContact CA-OD1 3.31Å; T12-N52 WeakPolarHBondContact CA-OD1 3.45Å; T12-N52 WeakPolarHBondContact CB-OD1 3.38Å; T12-N52 PolarHBondContact OG1-OD1 2.93Å; W15-N52 VanDerWaalsContact CB-ND2 3.28Å; W15-N52 WeakPolarHBondContact CB-ND2 3.27Å; W15-N52 HydrophobicContact CD2-CB 3.78Å; W15-N52 HydrophobicContact CE3-CB 3.64Å; W15-N52 HydrophobicContact CG-CB 4.34Å; W15-N52 HydrophobicContact CH2-CB 4.2Å; W15-N52 HydrophobicContact CZ2-CB 4.35Å; W15-N52 HydrophobicContact CZ3-CB 3.86Å; W15-N52 WeakPolarHBondContact CZ3-O 3.45Å; Q48-N52 PolarHBondContact NE2-OD1 3.4Å; Q48-N52 VanDerWaalsContact O-CB 3.25Å; Q48-N52 WeakPolarHBondContact O-CB 3.44Å; Q48-N52 PolarHBondContact O-N 3.12Å; Q48-N52 PolarHBondContact O-OD1 2.94Å; N52-L56 PolarHBondContact O-N 2.93Å
53Q96.8Very high91.4Very high74 Ų7461.3 Ų61.335%0.34632%0.319SS..Hα-helixtrans-71.4-48.2177.6-172.457.752.800111.5Q49 Q50 I51 V55 L56 D57Q49-Q53 PolarHBondContact O-N 2.75Å; Q50-Q53 PolarHBondContact O-N 3.26Å; I51-Q53 VanDerWaalsContact C-N 3.3Å; I51-Q53 PolarHBondContact O-N 2.95Å; Q53-V55 VanDerWaalsContact C-N 3.33Å; Q53-V55 PolarHBondContact O-N 3.35Å; Q53-L56 WeakPolarHBondContact O-CA 3.22Å; Q53-L56 WeakPolarHBondContact O-CB 3.45Å; Q53-L56 PolarHBondContact O-N 2.9Å; Q53-D57 PolarHBondContact NE2-OD1 3.37Å; Q53-D57 PolarHBondContact O-N 3.14Å; Q53-D57 VanDerWaalsContact O-OD2 3.12Å
54Q96.6Very high93.5Very high70 Ų7057.5 Ų57.533%0.32729%0.287SS..Hα-helixtrans-61.7-38.2179.5-71.1-177.531.900112.7I36 Q50 I51 L56 D57 Q58I36-Q54 HydrophobicContact CD1-CB 3.77Å; I36-Q54 HydrophobicContact CG1-CB 4.27Å; I36-Q54 HydrophobicContact CG2-CB 4.48Å; Q50-Q54 WeakPolarHBondContact O-CG 3.43Å; Q50-Q54 PolarHBondContact O-N 3.44Å; I51-Q54 PolarHBondContact O-N 3Å; Q54-L56 VanDerWaalsContact C-N 3.33Å; Q54-L56 PolarHBondContact O-N 3.27Å; Q54-D57 PolarHBondContact O-N 3.49Å; Q54-Q58 WeakPolarHBondContact O-CG 3.44Å; Q54-Q58 PolarHBondContact O-N 3.03Å
55V97.9Very high95.2Very high0 Ų055.4 Ų55.40%027%0.269CS..Hα-helixtrans-63.2-39173.1168.70000111.6T12 L16 W28 L29 V33 I36 I51 Q53 W59T12-V55 HydrophobicContact CG2-CB 4.01Å; T12-V55 HydrophobicContact CG2-CG1 3.88Å; T12-V55 HydrophobicContact CG2-CG2 4.12Å; L16-V55 HydrophobicContact CD1-CG1 3.97Å; W28-V55 HydrophobicContact CH2-CG1 4.32Å; W28-V55 HydrophobicContact CZ3-CG1 4.1Å; L29-V55 HydrophobicContact CD1-CG1 3.43Å; L29-V55 VanDerWaalsContact CD1-CG1 3.43Å; L29-V55 HydrophobicContact CD1-CG2 4.37Å; V33-V55 HydrophobicContact CG2-CG2 3.8Å; I36-V55 HydrophobicContact CD1-CB 4.41Å; I36-V55 HydrophobicContact CD1-CG2 3.54Å; I51-V55 HydrophobicContact CG2-CG2 4.25Å; I51-V55 WeakPolarHBondContact O-CB 3.39Å; I51-V55 VanDerWaalsContact O-CG2 3.3Å; I51-V55 WeakPolarHBondContact O-CG2 3.34Å; I51-V55 PolarHBondContact O-N 3.23Å; Q53-V55 VanDerWaalsContact C-N 3.33Å; Q53-V55 PolarHBondContact O-N 3.35Å; V55-W59 WeakPolarHBondContact O-CB 3.47Å; V55-W59 PolarHBondContact O-N 3.23Å
56L98.2Very high96.2Very high10 Ų1053.4 Ų53.45%0.05226%0.264CS..Hα-helixtrans-66.3-41.2174.5178.864.7000111.2W15 L16 R20 V22 N52 Q53 Q54 Q58 W59 L60W15-L56 HydrophobicContact CH2-CB 4.41Å; W15-L56 HydrophobicContact CH2-CD2 3.96Å; W15-L56 HydrophobicContact CZ3-CB 4.16Å; W15-L56 HydrophobicContact CZ3-CD2 4.32Å; L16-L56 HydrophobicContact CD2-CB 4.34Å; L16-L56 HydrophobicContact CD2-CD1 4.2Å; R20-L56 HydrophobicContact CG-CD1 4.22Å; R20-L56 HydrophobicContact CG-CD2 4.02Å; V22-L56 HydrophobicContact CG2-CD1 4.39Å; N52-L56 PolarHBondContact O-N 2.93Å; Q53-L56 WeakPolarHBondContact O-CA 3.22Å; Q53-L56 WeakPolarHBondContact O-CB 3.45Å; Q53-L56 PolarHBondContact O-N 2.9Å; Q54-L56 VanDerWaalsContact C-N 3.33Å; Q54-L56 PolarHBondContact O-N 3.27Å; L56-Q58 VanDerWaalsContact C-N 3.35Å; L56-W59 HydrophobicContact CD1-CE3 3.99Å; L56-W59 PolarHBondContact O-N 2.95Å; L56-L60 HydrophobicContact CG-CD1 4.4Å; L56-L60 VanDerWaalsContact O-CG 3.29Å; L56-L60 WeakPolarHBondContact O-CG 3.42Å; L56-L60 PolarHBondContact O-N 3.33Å
57D97.7Very high96.7Very high66 Ų6652.5 Ų52.535%0.35326%0.259SS..Hα-helixtrans-64.2-40178.4-58.9-31.8000111Q53 Q54 L60 M61Q53-D57 PolarHBondContact NE2-OD1 3.37Å; Q53-D57 PolarHBondContact O-N 3.14Å; Q53-D57 VanDerWaalsContact O-OD2 3.12Å; Q54-D57 PolarHBondContact O-N 3.49Å; D57-L60 PolarHBondContact O-N 3.05Å; D57-M61 WeakPolarHBondContact O-CG 3.43Å; D57-M61 PolarHBondContact O-N 2.93Å
58Q97.8Very high97Very high76 Ų7655.6 Ų55.636%0.35527%0.271SS..Hα-helixtrans-63.2-46.6170.9-70.8-63.3-49.700112.2W35 Q54 L56 L60 M61 T62W35-Q58 HydrophobicContact CZ3-CG 4.11Å; Q54-Q58 WeakPolarHBondContact O-CG 3.44Å; Q54-Q58 PolarHBondContact O-N 3.03Å; L56-Q58 VanDerWaalsContact C-N 3.35Å; Q58-L60 VanDerWaalsContact C-N 3.28Å; Q58-L60 PolarHBondContact O-N 3.32Å; Q58-M61 PolarHBondContact O-N 3.34Å; Q58-M61 VanDerWaalsContact O-N 3.08Å; Q58-T62 PolarHBondContact O-N 2.93Å; Q58-T62 PolarHBondContact O-OG1 3.48Å
59W98.4Very high97.1Very high3 Ų355 Ų551%0.01127%0.268CS..Hα-helixtrans-60.5-36.4177177.980.1000112.8V22 V24 W28 V55 L56 M61 T62 L64 C89 K169 L193V22-W59 HydrophobicContact CG1-CD2 3.74Å; V22-W59 HydrophobicContact CG1-CE3 4.29Å; V22-W59 HydrophobicContact CG1-CG 4.02Å; V22-W59 HydrophobicContact CG1-CZ2 4.12Å; V22-W59 HydrophobicContact CG2-CD2 4.2Å; V22-W59 HydrophobicContact CG2-CE3 3.92Å; V22-W59 HydrophobicContact CG2-CH2 3.76Å; V22-W59 HydrophobicContact CG2-CZ2 4.03Å; V22-W59 HydrophobicContact CG2-CZ3 3.69Å; V24-W59 VanDerWaalsContact CG1-CD1 3.48Å; V24-W59 HydrophobicContact CG1-CG 4.4Å; W28-W59 HydrophobicContact CH2-CB 3.84Å; W28-W59 HydrophobicContact CZ2-CB 4.44Å; V55-W59 WeakPolarHBondContact O-CB 3.47Å; V55-W59 PolarHBondContact O-N 3.23Å; L56-W59 HydrophobicContact CD1-CE3 3.99Å; L56-W59 PolarHBondContact O-N 2.95Å; W59-M61 PolarHBondContact O-N 3.45Å; W59-T62 PolarHBondContact O-N 3.05Å; W59-L64 HydrophobicContact CZ2-CD2 4.01Å; W59-C89 HydrophobicContact CH2-CB 3.81Å; W59-C89 HydrophobicContact CZ2-CB 3.87Å; W59-K169 HydrophobicContact CE3-CG 4.31Å; W59-K169 HydrophobicContact CH2-CB 3.68Å; W59-K169 HydrophobicContact CH2-CD 4.26Å; W59-K169 HydrophobicContact CH2-CG 3.84Å; W59-K169 HydrophobicContact CZ2-CD 4.44Å; W59-K169 HydrophobicContact CZ2-CG 4.44Å; W59-K169 HydrophobicContact CZ3-CB 3.71Å; W59-K169 HydrophobicContact CZ3-CG 3.77Å; W59-K169 WeakPolarHBondContact O-CE 3.45Å; W59-L193 HydrophobicContact CH2-CD1 3.93Å; W59-L193 HydrophobicContact CZ3-CD1 3.82Å
60L98.3Very high97.2Very high22 Ų2250.8 Ų50.812%0.11526%0.255CS..Hα-helixtrans-61.5-33.5175.6-74.4171.8000112.2L56 D57 Q58 K169 L193L56-L60 HydrophobicContact CG-CD1 4.4Å; L56-L60 VanDerWaalsContact O-CG 3.29Å; L56-L60 WeakPolarHBondContact O-CG 3.42Å; L56-L60 PolarHBondContact O-N 3.33Å; D57-L60 PolarHBondContact O-N 3.05Å; Q58-L60 VanDerWaalsContact C-N 3.28Å; Q58-L60 PolarHBondContact O-N 3.32Å; L60-K169 HydrophobicContact CD2-CB 3.99Å; L60-K169 HydrophobicContact CD2-CG 4.01Å; L60-K169 PolarHBondContact O-NZ 2.84Å; L60-L193 HydrophobicContact CD2-CB 3.89Å
61M97.9Very high97.3Very high110 Ų11047.4 Ų47.454%0.54224%0.24SC..Hα-helixtrans-94.6-11.6-179.6-54.4-51.9-172.500115D57 Q58 W59 E196D57-M61 WeakPolarHBondContact O-CG 3.43Å; D57-M61 PolarHBondContact O-N 2.93Å; Q58-M61 PolarHBondContact O-N 3.34Å; Q58-M61 VanDerWaalsContact O-N 3.08Å; W59-M61 PolarHBondContact O-N 3.45Å; M61-E196 WeakPolarHBondContact CA-O 3.45Å; M61-E196 HydrophobicContact SD-CG 4.28Å
62T98.1Very high97.3Very high25 Ų2547.5 Ų47.515%0.15324%0.241CC..SBendtrans-78.5143.8179.4-47.90000110.7Q58 W59 D66 L67 K169Q58-T62 PolarHBondContact O-N 2.93Å; Q58-T62 PolarHBondContact O-OG1 3.48Å; W59-T62 PolarHBondContact O-N 3.05Å; T62-D66 HydrophobicContact CG2-CB 4.49Å; T62-L67 HydrophobicContact CG2-CD1 3.47Å; T62-L67 VanDerWaalsContact CG2-CD1 3.47Å; T62-K169 WeakPolarHBondContact O-CE 3.33Å; T62-K169 PolarHBondContact O-NZ 2.81Å
63D98.3Very high97.2Very high12 Ų1250 Ų506%0.06426%0.258CS..  trans-72.9127.9167.8-164.7-41.8000109.3R65 D66 Q91 V197D63-R65 PolarHBondContact O-N 3.43Å; D63-R65 VanDerWaalsContact O-N 3.12Å; D63-R65 WeakPolarHBondContact OD1-CB 3.35Å; D63-R65 IonicContact OD1-CZ 2.85Å; D63-R65 PolarHBondContact OD1-N 2.82Å; D63-R65 IonicContact OD1-NE 3.36Å; D63-R65 PolarHBondContact OD1-NE 3.26Å; D63-R65 IonicContact OD1-NH2 2.71Å; D63-R65 PolarHBondContact OD1-NH2 2.78Å; D63-R65 IonicContact OD2-CZ 3.41Å; D63-R65 IonicContact OD2-NE 2.69Å; D63-R65 PolarHBondContact OD2-NE 3.31Å; D63-R65 IonicContact OD2-NH2 3.23Å; D63-R65 PolarHBondContact OD2-NH2 3.42Å; D63-D66 WeakPolarHBondContact O-CB 3.39Å; D63-D66 PolarHBondContact O-N 3.42Å; D63-Q91 PolarHBondContact OD1-NE2 2.75Å; D63-V197 HydrophobicContact CB-CG1 4.1Å; D63-V197 HydrophobicContact CB-CG2 4.36Å
64L98.3Very high97Very high8 Ų855.4 Ų55.44%0.04228%0.283CS..G310 helixtrans-62.7-21-179.3-62.7-173.5000113.1W59 D66 L67 Q91 G145 K169W59-L64 HydrophobicContact CZ2-CD2 4.01Å; L64-D66 VanDerWaalsContact C-N 3.26Å; L64-D66 PolarHBondContact O-N 2.85Å; L64-L67 HydrophobicContact CD2-CD2 4.41Å; L64-L67 WeakPolarHBondContact O-CB 3.16Å; L64-L67 PolarHBondContact O-N 3.34Å; L64-L67 VanDerWaalsContact O-N 3.16Å; L64-Q91 HydrophobicContact CB-CB 4.43Å; L64-Q91 HydrophobicContact CD1-CB 3.69Å; L64-Q91 HydrophobicContact CG-CB 3.9Å; L64-G145 VanDerWaalsContact C-CA 3.45Å; L64-G145 WeakPolarHBondContact O-CA 3.48Å; L64-K169 HydrophobicContact CD1-CD 4.42Å; L64-K169 HydrophobicContact CD2-CD 4.38Å; L64-K169 HydrophobicContact CG-CD 4.28Å
65R97.6Very high96.7Very high92 Ų9253.8 Ų53.835%0.34729%0.285SS..G310 helixtrans-62.9-31.4173.1-72.9174-79.3-120.1-9.8113.2D63 L67 D68 D93D63-R65 PolarHBondContact O-N 3.43Å; D63-R65 VanDerWaalsContact O-N 3.12Å; D63-R65 WeakPolarHBondContact OD1-CB 3.35Å; D63-R65 IonicContact OD1-CZ 2.85Å; D63-R65 PolarHBondContact OD1-N 2.82Å; D63-R65 IonicContact OD1-NE 3.36Å; D63-R65 PolarHBondContact OD1-NE 3.26Å; D63-R65 IonicContact OD1-NH2 2.71Å; D63-R65 PolarHBondContact OD1-NH2 2.78Å; D63-R65 IonicContact OD2-CZ 3.41Å; D63-R65 IonicContact OD2-NE 2.69Å; D63-R65 PolarHBondContact OD2-NE 3.31Å; D63-R65 IonicContact OD2-NH2 3.23Å; D63-R65 PolarHBondContact OD2-NH2 3.42Å; R65-L67 PolarHBondContact O-N 3.29Å; R65-D68 PolarHBondContact O-N 3.49Å; R65-D93 IonicContact CZ-OD1 3.42Å; R65-D93 IonicContact CZ-OD2 2.65Å; R65-D93 IonicContact NH1-OD1 3.59Å; R65-D93 IonicContact NH1-OD2 3.62Å; R65-D93 PolarHBondContact NH1-OD2 2.67Å; R65-D93 IonicContact NH2-OD1 3.18Å; R65-D93 PolarHBondContact NH2-OD1 2.65Å; R65-D93 IonicContact NH2-OD2 3.72Å; R65-D93 PolarHBondContact NH2-OD2 2.9Å
66D97.3Very high96.3Very high128 Ų12854.1 Ų54.168%0.68429%0.287SS*.G310 helixtrans-73.3-13.6178.1-60.7-30.6000112.4T62 D63 L64T62-D66 HydrophobicContact CG2-CB 4.49Å; D63-D66 WeakPolarHBondContact O-CB 3.39Å; D63-D66 PolarHBondContact O-N 3.42Å; L64-D66 VanDerWaalsContact C-N 3.26Å; L64-D66 PolarHBondContact O-N 2.85Å
67L96.8Very high95.9Very high13 Ų1355.8 Ų55.87%0.06830%0.302CS..G310 helixtrans-89.5-20.6176-83.466.5000113.2V24 P25 W28 T62 L64 R65 H69V24-L67 HydrophobicContact CB-CD2 4.26Å; V24-L67 HydrophobicContact CG1-CD2 3.81Å; P25-L67 HydrophobicContact CG-CB 4.17Å; P25-L67 HydrophobicContact CG-CG 4.43Å; P25-L67 WeakPolarHBondContact CG-O 3.38Å; W28-L67 HydrophobicContact CD2-CG 4.44Å; W28-L67 HydrophobicContact CG-CD1 4.4Å; W28-L67 HydrophobicContact CG-CG 4.19Å; T62-L67 HydrophobicContact CG2-CD1 3.47Å; T62-L67 VanDerWaalsContact CG2-CD1 3.47Å; L64-L67 HydrophobicContact CD2-CD2 4.41Å; L64-L67 WeakPolarHBondContact O-CB 3.16Å; L64-L67 PolarHBondContact O-N 3.34Å; L64-L67 VanDerWaalsContact O-N 3.16Å; R65-L67 PolarHBondContact O-N 3.29Å; L67-H69 HydrophobicContact CB-CB 4.1Å; L67-H69 PolarHBondContact O-N 2.69Å; L67-H69 VanDerWaalsContact O-N 3.16Å
68D96.4Very high95.5Very high121 Ų12159.6 Ų59.665%0.64732%0.318SS*.THydrogen-bonded Turntrans43.745.7-174.6-166.727.6000112.7R65R65-D68 PolarHBondContact O-N 3.49Å
69H96.3Very high94.8Very high54 Ų5457 Ų5725%0.2531%0.309CS..  trans-123.194.1-167.1-163.457.5000112.4P25 L67 V71P25-H69 HydrophobicContact CG-CB 3.93Å; L67-H69 HydrophobicContact CB-CB 4.1Å; L67-H69 PolarHBondContact O-N 2.69Å; L67-H69 VanDerWaalsContact O-N 3.16Å; H69-V71 PolarHBondContact O-N 3.04Å
70P96.6Very high94.3Very high73 Ų7363.6 Ų63.647%0.47434%0.34SS..  trans-70.7129.9-176.229.1-30.7000110.2D144 V146P70-D144 WeakPolarHBondContact CA-OD2 3.44Å; P70-V146 HydrophobicContact CB-CB 4.05Å; P70-V146 HydrophobicContact CB-CG1 4.38Å; P70-V146 HydrophobicContact CB-CG2 3.99Å; P70-V146 HydrophobicContact CG-CG2 4.31Å
71V96.3Very high94Very high23 Ų2369.3 Ų69.314%0.13936%0.364CS..  trans-119.8-19.4172.8-54.30000113Q23 H69 F88 C89 D144Q23-V71 HydrophobicContact CB-CG1 4.01Å; H69-V71 PolarHBondContact O-N 3.04Å; V71-F88 WeakPolarHBondContact O-CD1 3.25Å; V71-C89 WeakPolarHBondContact CG2-O 3.45Å; V71-D144 HydrophobicContact CG2-CB 3.79Å; V71-D144 PolarHBondContact N-OD2 3.5Å
72L95.6Very high93.9Very high9 Ų966.9 Ų66.95%0.04736%0.355CS..SBendtrans-84.9146.4174.4-68.2167000110.5L76 L84 F88 V90 D144 Q147 L149L72-L76 HydrophobicContact CB-CD1 4.17Å; L72-L84 HydrophobicContact CD2-CD2 4.09Å; L72-F88 HydrophobicContact CD2-CB 3.9Å; L72-F88 HydrophobicContact CD2-CD1 4.21Å; L72-F88 HydrophobicContact CD2-CD2 4.44Å; L72-F88 HydrophobicContact CD2-CG 3.92Å; L72-V90 HydrophobicContact CD1-CG1 3.99Å; L72-V90 HydrophobicContact CD2-CG1 4.22Å; L72-V90 HydrophobicContact CG-CG1 4.19Å; L72-D144 WeakPolarHBondContact CB-OD2 3.39Å; L72-D144 HydrophobicContact CD1-CB 4.05Å; L72-D144 HydrophobicContact CG-CB 4.14Å; L72-D144 PolarHBondContact N-OD2 2.83Å; L72-Q147 HydrophobicContact CB-CG 4.4Å; L72-Q147 HydrophobicContact CD1-CG 4.42Å; L72-Q147 PolarHBondContact O-NE2 2.83Å; L72-Q147 VanDerWaalsContact O-NE2 3.08Å; L72-L149 HydrophobicContact CD1-CD1 3.93Å
73P94.3Very high93.7Very high60 Ų6070.2 Ų70.239%0.3937%0.369SS..PPolyproline II helixtrans-53.3140.4170.6-27.534.8000112.9L76 L84 Q147P73-L76 HydrophobicContact CB-CD1 4.44Å; P73-L76 HydrophobicContact CB-CG 4.5Å; P73-L76 WeakPolarHBondContact O-CD1 3.49Å; P73-L76 WeakPolarHBondContact O-CG 3.18Å; P73-L84 HydrophobicContact CG-CD1 3.71Å; P73-Q147 PolarHBondContact O-NE2 2.9Å
74E92.4Very high93.5Very high189 Ų18969.8 Ų69.888%0.88337%0.367SS*.THydrogen-bonded Turntrans-63.5148.9178.6-65.8179.1-17100112.6L76E74-L76 PolarHBondContact O-N 3.18Å
75G89.8Confident93.4Very high36 Ų3674.7 Ų74.737%0.37139%0.393SS..THydrogen-bonded Turntrans80.79.1168.400000116.1A77 Q78 A79G75-A77 VanDerWaalsContact C-N 3.32Å; G75-A77 PolarHBondContact O-N 2.71Å; G75-Q78 PolarHBondContact O-N 3.26Å; G75-Q78 VanDerWaalsContact O-N 3.14Å; G75-Q78 PolarHBondContact O-OE1 3.14Å; G75-A79 PolarHBondContact O-N 3.21Å
76L91.2Very high93.2Very high7 Ų771.5 Ų71.54%0.03739%0.389CS..G310 helixtrans-58.7-40.4-179-73.7171.2000112.6L72 P73 E74 Q78 A79 T82 L84 L149L72-L76 HydrophobicContact CB-CD1 4.17Å; P73-L76 HydrophobicContact CB-CD1 4.44Å; P73-L76 HydrophobicContact CB-CG 4.5Å; P73-L76 WeakPolarHBondContact O-CD1 3.49Å; P73-L76 WeakPolarHBondContact O-CG 3.18Å; E74-L76 PolarHBondContact O-N 3.18Å; L76-Q78 PolarHBondContact O-N 3.09Å; L76-A79 WeakPolarHBondContact O-CB 3.46Å; L76-A79 PolarHBondContact O-N 3.36Å; L76-A79 VanDerWaalsContact O-N 3.09Å; L76-T82 HydrophobicContact CD2-CG2 3.7Å; L76-L84 HydrophobicContact CD1-CD1 4.35Å; L76-L149 HydrophobicContact CB-CD1 3.78Å; L76-L149 HydrophobicContact CB-CD2 3.72Å; L76-L149 HydrophobicContact CB-CG 4.43Å; L76-L149 HydrophobicContact CD1-CD1 3.66Å; L76-L149 HydrophobicContact CG-CD1 4.38Å
77A88.7Confident93.2Very high45 Ų4567.6 Ų67.637%0.37237%0.37SS..G310 helixtrans-60.3-28.117800000113.6G75 L149G75-A77 VanDerWaalsContact C-N 3.32Å; G75-A77 PolarHBondContact O-N 2.71Å; A77-L149 HydrophobicContact CB-CD2 3.79Å
78Q89.3Confident93.3Very high146 Ų14668 Ų6868%0.68237%0.371SS*.G310 helixtrans-95.3-7.1180-60.678.317.300112.7G75 L76 Q80G75-Q78 PolarHBondContact O-N 3.26Å; G75-Q78 VanDerWaalsContact O-N 3.14Å; G75-Q78 PolarHBondContact O-OE1 3.14Å; L76-Q78 PolarHBondContact O-N 3.09Å; Q78-Q80 PolarHBondContact O-N 3.42Å
79A82.3Confident93.4Very high21 Ų2162.6 Ų62.617%0.17434%0.343CS..  trans-72.7123.2-176.300000112G75 L76 T82 L180 G181G75-A79 PolarHBondContact O-N 3.21Å; L76-A79 WeakPolarHBondContact O-CB 3.46Å; L76-A79 PolarHBondContact O-N 3.36Å; L76-A79 VanDerWaalsContact O-N 3.09Å; A79-T82 HydrophobicContact CB-CG2 3.59Å; A79-L180 WeakPolarHBondContact O-CA 3.33Å; A79-L180 PolarHBondContact O-N 3.08Å; A79-G181 PolarHBondContact O-N 3.31Å
80Q88.5Confident93.4Very high142 Ų14260 Ų6066%0.66433%0.331SS*.SBendtrans-65.4-47.5176.3-69.4-66.7-73.900111.9Q78 R179 L180Q78-Q80 PolarHBondContact O-N 3.42Å; Q80-R179 WeakPolarHBondContact O-CA 3.38Å; Q80-L180 PolarHBondContact O-N 2.85Å
81K93.2Very high93.5Very high141 Ų14156.5 Ų56.561%0.61331%0.308SS*.EExtended strand (participates in β ladder)trans-154129.1169.5-172.4172-178.2172.30108.1C178K81-C178 CarbonylContact C-O 3.5Å; K81-C178 WeakPolarHBondContact CA-O 3.42Å
82T94.5Very high93.6Very high59 Ų5955.6 Ų55.636%0.36230%0.303SS..EExtended strand (participates in β ladder)trans-151.1172.4177.9-168.60000110.5L76 A79 C178L76-T82 HydrophobicContact CD2-CG2 3.7Å; A79-T82 HydrophobicContact CB-CG2 3.59Å; T82-C178 HydrophobicContact CG2-CB 3.78Å; T82-C178 PolarHBondContact N-O 3.26Å; T82-C178 PolarHBondContact O-N 2.82Å
83E94.4Very high93.7Very high95 Ų9556.3 Ų56.344%0.44431%0.306SS..EExtended strand (participates in β ladder)trans-123.1116.9-178.7-175.6172.8137.300109.8K175E83-K175 VanDerWaalsContact CD-CE 3.46Å; E83-K175 HydrophobicContact CG-CG 4.03Å; E83-K175 WeakPolarHBondContact OE1-CE 3.32Å; E83-K175 IonicContact OE1-NZ 3.07Å; E83-K175 PolarHBondContact OE1-NZ 2.67Å; E83-K175 VanDerWaalsContact OE2-CE 3.28Å; E83-K175 WeakPolarHBondContact OE2-CE 3.41Å; E83-K175 IonicContact OE2-NZ 3.74Å; E83-K175 PolarHBondContact OE2-NZ 2.91Å
84L94.4Very high93.7Very high3 Ų354.3 Ų54.32%0.01629%0.294CS..EExtended strand (participates in β ladder)trans-89.8123.2172.9-178.763.3000108L72 P73 L76 F88 M176L72-L84 HydrophobicContact CD2-CD2 4.09Å; P73-L84 HydrophobicContact CG-CD1 3.71Å; L76-L84 HydrophobicContact CD1-CD1 4.35Å; L84-F88 HydrophobicContact CD1-CD2 4.13Å; L84-F88 HydrophobicContact CD1-CE1 4.3Å; L84-F88 HydrophobicContact CD1-CE2 3.45Å; L84-F88 VanDerWaalsContact CD1-CE2 3.45Å; L84-F88 HydrophobicContact CD1-CZ 3.55Å; L84-F88 HydrophobicContact CD2-CD2 4.15Å; L84-F88 HydrophobicContact CD2-CE2 4.17Å; L84-F88 HydrophobicContact CG-CD2 4.13Å; L84-F88 HydrophobicContact CG-CE2 3.63Å; L84-F88 HydrophobicContact CG-CZ 4.25Å; L84-M176 HydrophobicContact CB-CB 4.32Å; L84-M176 HydrophobicContact CD2-CE 3.78Å; L84-M176 HydrophobicContact CD2-SD 4.4Å; L84-M176 HydrophobicContact CG-CE 3.95Å; L84-M176 PolarHBondContact N-O 2.81Å; L84-M176 PolarHBondContact O-N 2.87Å
85N95.2Very high93.8Very high111 Ų11146.2 Ų46.259%0.59426%0.257SS*.EExtended strand (participates in β ladder)trans-136.8124.2-179.7-172.94.3000110.2G174N85-G174 WeakPolarHBondContact CA-O 3.36Å
86G95Very high94Very high26 Ų2645.4 Ų45.427%0.26824%0.244SC..EExtended strand (participates in β ladder)trans151.2-152.4-178.500000112.2Q173 G174G86-Q173 CarbonylContact O-C 3.49Å; G86-Q173 WeakPolarHBondContact O-CA 3.28Å; G86-G174 PolarHBondContact N-O 3.36Å; G86-G174 PolarHBondContact O-N 2.71Å
87T97.1Very high94.1Very high45 Ų4546.4 Ų46.428%0.27625%0.249SC..EExtended strand (participates in β ladder)trans-134.3127.1171-560000108.6H21 Q171 L172 Q173H21-T87 HydrophobicContact CB-CG2 3.57Å; T87-Q171 HydrophobicContact CG2-CG 3.6Å; T87-Q171 VanDerWaalsContact CG2-NE2 3.33Å; T87-L172 CarbonylContact C-O 3.59Å; T87-L172 WeakPolarHBondContact CA-O 3.49Å; T87-Q173 HydrophobicContact CG2-CB 4.41Å
88F97.6Very high94.3Very high22 Ų2247.2 Ų47.210%0.09625%0.249CC..EExtended strand (participates in β ladder)trans-135.6128.4-170.8-50.3-79.9000110V71 L72 L84 L172 M176V71-F88 WeakPolarHBondContact O-CD1 3.25Å; L72-F88 HydrophobicContact CD2-CB 3.9Å; L72-F88 HydrophobicContact CD2-CD1 4.21Å; L72-F88 HydrophobicContact CD2-CD2 4.44Å; L72-F88 HydrophobicContact CD2-CG 3.92Å; L84-F88 HydrophobicContact CD1-CD2 4.13Å; L84-F88 HydrophobicContact CD1-CE1 4.3Å; L84-F88 HydrophobicContact CD1-CE2 3.45Å; L84-F88 VanDerWaalsContact CD1-CE2 3.45Å; L84-F88 HydrophobicContact CD1-CZ 3.55Å; L84-F88 HydrophobicContact CD2-CD2 4.15Å; L84-F88 HydrophobicContact CD2-CE2 4.17Å; L84-F88 HydrophobicContact CG-CD2 4.13Å; L84-F88 HydrophobicContact CG-CE2 3.63Å; L84-F88 HydrophobicContact CG-CZ 4.25Å; F88-L172 HydrophobicContact CB-CB 4.43Å; F88-L172 PolarHBondContact N-O 2.97Å; F88-L172 PolarHBondContact O-N 2.82Å; F88-M176 HydrophobicContact CD2-CE 4.29Å; F88-M176 HydrophobicContact CE2-CE 4.47Å
89C98.1Very high94.4Very high7 Ų742 Ų425%0.04723%0.229CC..EExtended strand (participates in β ladder)trans-95.1117.2174.3-74.80000109.5V22 W59 V71 L170V22-C89 HydrophobicContact CG2-CB 4.41Å; W59-C89 HydrophobicContact CH2-CB 3.81Å; W59-C89 HydrophobicContact CZ2-CB 3.87Å; V71-C89 WeakPolarHBondContact CG2-O 3.45Å; C89-L170 WeakPolarHBondContact CA-O 3.35Å
90V98.1Very high94.7Very high0 Ų045.1 Ų45.10%024%0.24CC..EExtended strand (participates in β ladder)trans-126.9161.3-175.2-57.10000110.9L72 I142 T143 K169 L170 L172L72-V90 HydrophobicContact CD1-CG1 3.99Å; L72-V90 HydrophobicContact CD2-CG1 4.22Å; L72-V90 HydrophobicContact CG-CG1 4.19Å; V90-I142 HydrophobicContact CG2-CB 4.43Å; V90-I142 HydrophobicContact CG2-CD1 4.4Å; V90-T143 WeakPolarHBondContact CA-O 3.41Å; V90-T143 WeakPolarHBondContact CB-O 3.44Å; V90-K169 CarbonylContact O-C 3.56Å; V90-K169 WeakPolarHBondContact O-CA 3.5Å; V90-L170 HydrophobicContact CG2-CB 4.05Å; V90-L170 PolarHBondContact N-O 2.86Å; V90-L170 PolarHBondContact O-N 3.02Å; V90-L172 HydrophobicContact CG1-CD1 4.18Å; V90-L172 HydrophobicContact CG2-CD1 3.94Å; V90-L172 HydrophobicContact CG2-CG 3.87Å
91Q98.4Very high94.8Very high0 Ų042.8 Ų42.80%024%0.237CC..EExtended strand (participates in β ladder)trans-100.1145.4172.2173.7171.3-68.900110.3D63 L64 D93 I142 T143 K169 L200D63-Q91 PolarHBondContact OD1-NE2 2.75Å; L64-Q91 HydrophobicContact CB-CB 4.43Å; L64-Q91 HydrophobicContact CD1-CB 3.69Å; L64-Q91 HydrophobicContact CG-CB 3.9Å; Q91-D93 PolarHBondContact NE2-OD1 2.9Å; Q91-I142 CarbonylContact O-C 3.56Å; Q91-I142 WeakPolarHBondContact O-CA 3.48Å; Q91-T143 HydrophobicContact CB-CG2 4.03Å; Q91-T143 HydrophobicContact CG-CG2 4.34Å; Q91-T143 PolarHBondContact N-O 3.07Å; Q91-T143 PolarHBondContact O-N 2.79Å; Q91-K169 HydrophobicContact CB-CD 4.11Å; Q91-L200 HydrophobicContact CG-CD1 4.48Å
92V97.9Very high94.7Very high3 Ų336.9 Ų36.92%0.01822%0.215CC..EExtended strand (participates in β ladder)trans-99.3115.9168.6-178.90000108.7S94 L140 I142 L164 G167 A168 L170V92-S94 WeakPolarHBondContact CG1-O 3.46Å; V92-L140 HydrophobicContact CG1-CB 4.48Å; V92-L140 HydrophobicContact CG1-CD2 4.13Å; V92-L140 HydrophobicContact CG2-CD2 3.96Å; V92-I142 HydrophobicContact CG2-CG2 4.12Å; V92-L164 HydrophobicContact CB-CD2 4.39Å; V92-L164 HydrophobicContact CG1-CD2 4.26Å; V92-L164 HydrophobicContact CG2-CD2 4.06Å; V92-G167 WeakPolarHBondContact O-CA 3.25Å; V92-G167 PolarHBondContact O-N 2.82Å; V92-A168 PolarHBondContact N-O 3.39Å; V92-L170 HydrophobicContact CG2-CD1 3.42Å; V92-L170 VanDerWaalsContact CG2-CD1 3.42Å; V92-L170 HydrophobicContact CG2-CG 3.67Å
93D96.8Very high94.5Very high24 Ų2440.8 Ų40.813%0.12822%0.224CC..EExtended strand (participates in β ladder)trans-80.9-42.1177.7-103.739.9000111.3R65 Q91 Q141 L200 N204R65-D93 IonicContact CZ-OD1 3.42Å; R65-D93 IonicContact CZ-OD2 2.65Å; R65-D93 IonicContact NH1-OD1 3.59Å; R65-D93 IonicContact NH1-OD2 3.62Å; R65-D93 PolarHBondContact NH1-OD2 2.67Å; R65-D93 IonicContact NH2-OD1 3.18Å; R65-D93 PolarHBondContact NH2-OD1 2.65Å; R65-D93 IonicContact NH2-OD2 3.72Å; R65-D93 PolarHBondContact NH2-OD2 2.9Å; Q91-D93 PolarHBondContact NE2-OD1 2.9Å; D93-Q141 HydrophobicContact CB-CB 4.34Å; D93-Q141 PolarHBondContact N-O 2.83Å; D93-L200 WeakPolarHBondContact OD1-CD1 3.29Å; D93-N204 PolarHBondContact O-ND2 3.44Å
94S95.6Very high94.2Very high19 Ų1937.2 Ų37.213%0.13321%0.213CC..EExtended strand (participates in β ladder)trans-154.9162.817567.30000111.9V92 L140 Q141V92-S94 WeakPolarHBondContact CG1-O 3.46Å; S94-L140 WeakPolarHBondContact O-CA 3.15Å; S94-Q141 PolarHBondContact O-N 2.84Å; S94-Q141 WeakPolarHBondContact OG-CG 3.13Å
95L93.8Very high94Very high18 Ų1838.7 Ų38.79%0.09422%0.219CC..EExtended strand (participates in β ladder)trans-142136.8-177.4178.4153000109.3L138 L139 L140 L164L95-L138 HydrophobicContact CD1-CD1 4.27Å; L95-L138 HydrophobicContact CD2-CD1 4.29Å; L95-L138 HydrophobicContact CD2-CD2 3.78Å; L95-L138 HydrophobicContact CD2-CG 4.49Å; L95-L138 HydrophobicContact CG-CD2 4.46Å; L95-L139 WeakPolarHBondContact CA-O 3.49Å; L95-L140 HydrophobicContact CB-CG 4.44Å; L95-L140 HydrophobicContact CD1-CD1 4.42Å; L95-L140 HydrophobicContact CD1-CD2 4.07Å; L95-L140 HydrophobicContact CD1-CG 3.97Å; L95-L140 HydrophobicContact CG-CG 4.18Å; L95-L164 HydrophobicContact CD1-CB 4.27Å; L95-L164 HydrophobicContact CD1-CD2 3.8Å
96L93.8Very high93.8Very high19 Ų1933.6 Ų33.610%0.09919%0.192CC..EExtended strand (participates in β ladder)trans-142.8136.8-177174.962.4000109.8V98 L138 L139 V209 L210 T213L96-V98 HydrophobicContact CD2-CG1 4.07Å; L96-V98 HydrophobicContact CG-CG1 4.12Å; L96-L138 CarbonylContact O-C 3.48Å; L96-L138 WeakPolarHBondContact O-CA 3.47Å; L96-L139 PolarHBondContact N-O 2.86Å; L96-L139 PolarHBondContact O-N 2.88Å; L96-V209 HydrophobicContact CB-CG1 4.44Å; L96-L210 HydrophobicContact CD1-CD2 3.52Å; L96-T213 HydrophobicContact CD2-CG2 4.07Å
97D93.6Very high93.4Very high29 Ų2934.1 Ų34.116%0.15519%0.188CC..EExtended strand (participates in β ladder)trans-78121.1165-169.3-7.1000109S99 Q105 M137 L138D97-S99 VanDerWaalsContact CG-OG 3.3Å; D97-S99 VanDerWaalsContact OD1-CB 3.26Å; D97-S99 WeakPolarHBondContact OD1-CB 3.15Å; D97-S99 PolarHBondContact OD1-N 3.44Å; D97-S99 PolarHBondContact OD1-OG 3.41Å; D97-S99 PolarHBondContact OD2-OG 3.35Å; D97-Q105 PolarHBondContact O-NE2 2.85Å; D97-M137 PolarHBondContact OD1-N 3.34Å; D97-L138 HydrophobicContact CB-CD2 3.89Å
98V93.8Very high93Very high62 Ų6237.4 Ų37.438%0.37620%0.198SC..SBendtrans-101.80.9176.6-62.50000112.3L96 Q100 M137 L139L96-V98 HydrophobicContact CD2-CG1 4.07Å; L96-V98 HydrophobicContact CG-CG1 4.12Å; V98-Q100 VanDerWaalsContact C-N 3.33Å; V98-M137 HydrophobicContact CG2-CB 4.23Å; V98-M137 HydrophobicContact CG2-CG 3.82Å; V98-M137 VanDerWaalsContact CG2-O 3.25Å; V98-M137 WeakPolarHBondContact CG2-O 3.43Å; V98-M137 HydrophobicContact CG2-SD 3.99Å; V98-M137 PolarHBondContact N-O 3.28Å; V98-L139 HydrophobicContact CG1-CB 3.73Å; V98-L139 HydrophobicContact CG1-CD2 4.1Å; V98-L139 HydrophobicContact CG2-CB 4.1Å
99S90.6Very high92.5Very high36 Ų3642.7 Ų42.725%0.25222%0.217SC..SBendtrans-76-21.9168.976.50000113.1D97 T135D97-S99 VanDerWaalsContact CG-OG 3.3Å; D97-S99 VanDerWaalsContact OD1-CB 3.26Å; D97-S99 WeakPolarHBondContact OD1-CB 3.15Å; D97-S99 PolarHBondContact OD1-N 3.44Å; D97-S99 PolarHBondContact OD1-OG 3.41Å; D97-S99 PolarHBondContact OD2-OG 3.35Å; S99-T135 WeakPolarHBondContact CB-O 3.49Å
100Q89Confident92Very high87 Ų8748.8 Ų48.841%0.40724%0.239SC..SBendtrans-114.8139-176.8-60.1-53.8-58.300111.4V98 A102 Q105V98-Q100 VanDerWaalsContact C-N 3.33Å; Q100-A102 PolarHBondContact O-N 3.08Å; Q100-Q105 HydrophobicContact CB-CG 4.12Å; Q100-Q105 PolarHBondContact O-NE2 3.03Å
101P89.6Confident91.3Very high93 Ų9352 Ų5260%0.60427%0.273SS*.  trans-55.9124.3177.5-26.334.8000112.7Y103 G104 Q105P101-Y103 PolarHBondContact O-N 2.81Å; P101-Y103 VanDerWaalsContact O-N 3.1Å; P101-G104 PolarHBondContact O-N 2.74Å; P101-Q105 PolarHBondContact O-N 2.98Å
102A91.5Very high90.2Very high17 Ų1755.6 Ų55.614%0.1430%0.295CS..Hα-helixtrans-57.3-29.1-178.200000113.2Q100 L106 L210 T213 L214Q100-A102 PolarHBondContact O-N 3.08Å; A102-L106 WeakPolarHBondContact O-CB 3.49Å; A102-L106 PolarHBondContact O-N 3.41Å; A102-L210 HydrophobicContact CB-CD2 3.89Å; A102-T213 HydrophobicContact CB-CG2 3.99Å; A102-L214 HydrophobicContact CB-CD1 4.45Å; A102-L214 HydrophobicContact CB-CD2 4.05Å; A102-L214 HydrophobicContact CB-CG 4.13Å
103Y89.9Confident89Confident141 Ų14158.3 Ų58.355%0.55331%0.309SS*.Hα-helixtrans-66.3-46.2174.9-175.4-100.6000112.5P101 Q105 L106 Q107 L214P101-Y103 PolarHBondContact O-N 2.81Å; P101-Y103 VanDerWaalsContact O-N 3.1Å; Y103-Q105 VanDerWaalsContact C-N 3.35Å; Y103-Q105 PolarHBondContact O-N 2.86Å; Y103-L106 WeakPolarHBondContact O-CB 3.29Å; Y103-L106 PolarHBondContact O-N 3.06Å; Y103-Q107 HydrophobicContact CD1-CG 4.36Å; Y103-Q107 HydrophobicContact CE1-CG 3.98Å; Y103-Q107 PolarHBondContact O-N 2.95Å; Y103-L214 HydrophobicContact CD2-CD1 4.41Å
104G88.9Confident87.3Confident20 Ų2060.4 Ų60.421%0.20633%0.325CS..Hα-helixtrans-66.1-36.8175.700000112.3P101 L106 Q107 K108P101-G104 PolarHBondContact O-N 2.74Å; G104-L106 VanDerWaalsContact C-N 3.29Å; G104-L106 PolarHBondContact O-N 3.22Å; G104-Q107 PolarHBondContact O-N 2.77Å; G104-K108 WeakPolarHBondContact O-CB 3.38Å; G104-K108 WeakPolarHBondContact O-CG 3.47Å; G104-K108 PolarHBondContact O-N 3.45Å
105Q90.4Very high85.7Confident34 Ų3464 Ų6416%0.15935%0.346CS..Hα-helixtrans-60.7-38.6169.3-68.2-176.76000112D97 Q100 P101 Y103 K108 W109 L210D97-Q105 PolarHBondContact O-NE2 2.85Å; Q100-Q105 HydrophobicContact CB-CG 4.12Å; Q100-Q105 PolarHBondContact O-NE2 3.03Å; P101-Q105 PolarHBondContact O-N 2.98Å; Y103-Q105 VanDerWaalsContact C-N 3.35Å; Y103-Q105 PolarHBondContact O-N 2.86Å; Q105-K108 PolarHBondContact O-N 2.87Å; Q105-W109 WeakPolarHBondContact O-CB 3.37Å; Q105-W109 PolarHBondContact O-N 3.35Å; Q105-L210 HydrophobicContact CB-CD1 3.85Å; Q105-L210 HydrophobicContact CB-CD2 3.82Å
106L90.3Very high84.3Confident4 Ų469.2 Ų69.22%0.02137%0.374CS..Hα-helixtrans-72.6-37.5179.3-176.158.6000112.3A102 Y103 G104 W109 R110 L210 L214 L216A102-L106 WeakPolarHBondContact O-CB 3.49Å; A102-L106 PolarHBondContact O-N 3.41Å; Y103-L106 WeakPolarHBondContact O-CB 3.29Å; Y103-L106 PolarHBondContact O-N 3.06Å; G104-L106 VanDerWaalsContact C-N 3.29Å; G104-L106 PolarHBondContact O-N 3.22Å; L106-W109 HydrophobicContact CD1-CE3 4.05Å; L106-W109 PolarHBondContact O-N 3.3Å; L106-R110 HydrophobicContact CD1-CG 4.21Å; L106-R110 WeakPolarHBondContact O-CB 3.41Å; L106-R110 VanDerWaalsContact O-CG 3.23Å; L106-R110 WeakPolarHBondContact O-CG 3.32Å; L106-R110 PolarHBondContact O-N 3.38Å; L106-L210 HydrophobicContact CB-CB 4.2Å; L106-L210 HydrophobicContact CB-CD1 4.25Å; L106-L210 HydrophobicContact CD1-CB 4.07Å; L106-L210 HydrophobicContact CD1-CD1 4.46Å; L106-L214 HydrophobicContact CB-CD1 4.19Å; L106-L214 HydrophobicContact CD2-CD1 3.6Å; L106-L216 HydrophobicContact CD2-CD1 3.7Å
107Q87.4Confident82.6Confident37 Ų3774.2 Ų74.217%0.17340%0.401CS..Hα-helixtrans-59.9-48.2170.7-72.1173.9-80.500110.8Y103 G104 W109 R110 G111 T112Y103-Q107 HydrophobicContact CD1-CG 4.36Å; Y103-Q107 HydrophobicContact CE1-CG 3.98Å; Y103-Q107 PolarHBondContact O-N 2.95Å; G104-Q107 PolarHBondContact O-N 2.77Å; Q107-W109 PolarHBondContact O-N 2.92Å; Q107-R110 PolarHBondContact O-N 3.41Å; Q107-G111 PolarHBondContact O-N 3.12Å; Q107-G111 VanDerWaalsContact O-N 3.08Å; Q107-T112 PolarHBondContact O-N 3.11Å
108K87.8Confident81.1Confident114 Ų11479.8 Ų79.850%0.49643%0.426SS..Hα-helixtrans-59.9-43.4175.9-75.7163.6-179.7165.40112.1G104 Q105 R110 G111 D113G104-K108 WeakPolarHBondContact O-CB 3.38Å; G104-K108 WeakPolarHBondContact O-CG 3.47Å; G104-K108 PolarHBondContact O-N 3.45Å; Q105-K108 PolarHBondContact O-N 2.87Å; K108-R110 PolarHBondContact O-N 2.89Å; K108-G111 PolarHBondContact O-N 2.98Å; K108-D113 WeakPolarHBondContact CE-OD1 3.46Å; K108-D113 WeakPolarHBondContact CE-OD2 3.2Å; K108-D113 HydrophobicContact CG-CB 3.8Å; K108-D113 VanDerWaalsContact CG-CG 3.46Å; K108-D113 VanDerWaalsContact CG-OD2 3.25Å; K108-D113 WeakPolarHBondContact CG-OD2 3.41Å; K108-D113 IonicContact NZ-OD2 2.78Å
109W87.1Confident79.5Confident133 Ų13382.2 Ų82.250%0.50444%0.441SS..Hα-helixtrans-66.5-33.9175.8-175.883.6000113.4Q105 L106 Q107 G111 L210Q105-W109 WeakPolarHBondContact O-CB 3.37Å; Q105-W109 PolarHBondContact O-N 3.35Å; L106-W109 HydrophobicContact CD1-CE3 4.05Å; L106-W109 PolarHBondContact O-N 3.3Å; Q107-W109 PolarHBondContact O-N 2.92Å; W109-G111 VanDerWaalsContact C-N 3.32Å; W109-L210 HydrophobicContact CB-CD1 4.42Å
110R87.9Confident78.4Confident134 Ų13484.1 Ų84.151%0.50645%0.454SS..Hα-helixtrans-79.5-8.7175.9-71.6176.3-179.5-166.5-1.1114L106 Q107 K108 T112L106-R110 HydrophobicContact CD1-CG 4.21Å; L106-R110 WeakPolarHBondContact O-CB 3.41Å; L106-R110 VanDerWaalsContact O-CG 3.23Å; L106-R110 WeakPolarHBondContact O-CG 3.32Å; L106-R110 PolarHBondContact O-N 3.38Å; Q107-R110 PolarHBondContact O-N 3.41Å; K108-R110 PolarHBondContact O-N 2.89Å; R110-T112 HydrophobicContact CB-CG2 4.06Å; R110-T112 PolarHBondContact O-N 3.17Å
111G83.2Confident77.1Confident68 Ų6885.3 Ų85.370%0.70148%0.479SS*.THydrogen-bonded Turntrans6914.4-169.400000114Q107 K108 W109Q107-G111 PolarHBondContact O-N 3.12Å; Q107-G111 VanDerWaalsContact O-N 3.08Å; K108-G111 PolarHBondContact O-N 2.98Å; W109-G111 VanDerWaalsContact C-N 3.32Å
112T75.3Confident75.8Confident76 Ų7685.3 Ų85.347%0.46648%0.477SS..  trans-102.738.1178.767.80000111.2Q107 R110 C114Q107-T112 PolarHBondContact O-N 3.11Å; R110-T112 HydrophobicContact CB-CG2 4.06Å; R110-T112 PolarHBondContact O-N 3.17Å; T112-C114 PolarHBondContact O-N 3.34Å
113D71.9Confident74.3Confident60 Ų6090.7 Ų90.732%0.32151%0.508SS..  trans-88.596.9177.3-172.332.4000109.2K108 T115K108-D113 WeakPolarHBondContact CE-OD1 3.46Å; K108-D113 WeakPolarHBondContact CE-OD2 3.2Å; K108-D113 HydrophobicContact CG-CB 3.8Å; K108-D113 VanDerWaalsContact CG-CG 3.46Å; K108-D113 VanDerWaalsContact CG-OD2 3.25Å; K108-D113 WeakPolarHBondContact CG-OD2 3.41Å; K108-D113 IonicContact NZ-OD2 2.78Å; D113-T115 PolarHBondContact O-N 3.43Å
114C62.6Low72.5Confident67 Ų6792.2 Ų92.245%0.45352%0.52SS..  trans-87.693.6-178.9-70.80000109.5T112 N116 D117T112-C114 PolarHBondContact O-N 3.34Å; C114-N116 PolarHBondContact O-N 2.99Å; C114-D117 WeakPolarHBondContact O-CB 3.47Å; C114-D117 PolarHBondContact O-N 3.39Å
115T61.3Low70.7Confident94 Ų9497.4 Ų97.458%0.57755%0.548SS*.G310 helixtrans-54.8-21.7176.6520000113.9D113 D117 E118D113-T115 PolarHBondContact O-N 3.43Å; T115-D117 VanDerWaalsContact C-N 3.29Å; T115-D117 PolarHBondContact O-N 3.05Å; T115-E118 PolarHBondContact O-N 2.96Å
116N64.3Low69Low128 Ų128100.5 Ų100.568%0.68457%0.57SS**G310 helixtrans-65.6-26.4172-67.5-16.3000113.6C114 E118 V119C114-N116 PolarHBondContact O-N 2.99Å; N116-E118 PolarHBondContact O-N 3.39Å; N116-V119 WeakPolarHBondContact O-CB 3.39Å; N116-V119 PolarHBondContact O-N 3.24Å; N116-V119 VanDerWaalsContact O-N 3.08Å
117D59.3Low67.3Low124 Ų124105.4 Ų105.466%0.66359%0.593SS**G310 helixtrans-70.9-23.5179.4-63.3-10.9000111.6C114 T115 V119C114-D117 WeakPolarHBondContact O-CB 3.47Å; C114-D117 PolarHBondContact O-N 3.39Å; T115-D117 VanDerWaalsContact C-N 3.29Å; T115-D117 PolarHBondContact O-N 3.05Å; D117-V119 VanDerWaalsContact C-N 3.34Å
118E61.7Low66.5Low146 Ų146110.3 Ų110.368%0.68261%0.609SS**G310 helixtrans-82.1-9.4172.1-60.8-173.216300112.5T115 N116 S120T115-E118 PolarHBondContact O-N 2.96Å; N116-E118 PolarHBondContact O-N 3.39Å; E118-S120 PolarHBondContact O-N 3.33Å
119V60Low65.3Low113 Ų113111 Ų11169%0.68563%0.626SS**  trans-82.181.1-178.3-175.50000110.9N116 D117N116-V119 WeakPolarHBondContact O-CB 3.39Å; N116-V119 PolarHBondContact O-N 3.24Å; N116-V119 VanDerWaalsContact O-N 3.08Å; D117-V119 VanDerWaalsContact C-N 3.34Å
120S68Low64.5Low76 Ų76113 Ų11353%0.53163%0.633SS.*  trans-79.4152.2170.4100.80000112.1E118 V122E118-S120 PolarHBondContact O-N 3.33Å; S120-V122 PolarHBondContact O-N 3Å; S120-V122 WeakPolarHBondContact OG-CB 3.49Å; S120-V122 PolarHBondContact OG-N 3.48Å; S120-V122 PolarHBondContact OG-O 2.89Å
121A61.3Low63.4Low113 Ų113110.6 Ų110.693%0.93463%0.628SS**SBendtrans-71.4-5.1170.800000113.9
122V62.9Low62.2Low93 Ų93111.6 Ų111.656%0.56463%0.63SS**SBendtrans-79119.6169.5-173.70000107.8S120 Q124S120-V122 PolarHBondContact O-N 3Å; S120-V122 WeakPolarHBondContact OG-CB 3.49Å; S120-V122 PolarHBondContact OG-N 3.48Å; S120-V122 PolarHBondContact OG-O 2.89Å; V122-Q124 PolarHBondContact O-N 3.1Å; V122-Q124 VanDerWaalsContact O-N 3.17Å
123T58Low61.6Low130 Ų130116.1 Ų116.180%0.79864%0.643SS**  trans-53.1122.3171.648.90000109.4T125T123-T125 PolarHBondContact O-N 3.46Å
124Q52.4Low61.4Low172 Ų172116.8 Ų116.880%0.80466%0.657SS**  trans-17.5112.2-173.6-68.5178.8-5.900114V122 T126V122-Q124 PolarHBondContact O-N 3.1Å; V122-Q124 VanDerWaalsContact O-N 3.17Å; Q124-T126 PolarHBondContact O-N 3.07Å
125T51.2Low62.3Low130 Ų130118.9 Ų118.980%0.79867%0.668SS**  trans-64.386.7162.4-51.40000107.2T123 Q127T123-T125 PolarHBondContact O-N 3.46Å; T125-Q127 PolarHBondContact O-N 3.15Å
126T55.6Low63.7Low99 Ų99118.1 Ų118.161%0.60765%0.654SS**PPolyproline II helixtrans-60.2126.9176.843.10000108Q124 R128Q124-T126 PolarHBondContact O-N 3.07Å; T126-R128 PolarHBondContact O-N 3.5Å; T126-R128 VanDerWaalsContact O-N 3.12Å
127Q55.3Low65.1Low107 Ų107115.2 Ų115.250%0.564%0.637SS.*PPolyproline II helixtrans-50.1127.4167.1-89.7-155.3-60.900107.2T125 E131 A132T125-Q127 PolarHBondContact O-N 3.15Å; Q127-E131 VanDerWaalsContact CA-OE2 3.29Å; Q127-E131 WeakPolarHBondContact CA-OE2 3.48Å; Q127-E131 HydrophobicContact CB-CB 4.49Å; Q127-A132 PolarHBondContact NE2-O 3.41Å
128R69.9Low66.8Low139 Ų139109.6 Ų109.653%0.52561%0.607SS.*PPolyproline II helixtrans-59.2148.3179.7-54.4-73.2-163.31476.7108.1T126 W130 E131T126-R128 PolarHBondContact O-N 3.5Å; T126-R128 VanDerWaalsContact O-N 3.12Å; R128-W130 HydrophobicContact CB-CD2 3.6Å; R128-W130 HydrophobicContact CB-CE3 3.97Å; R128-W130 HydrophobicContact CB-CG 4.13Å; R128-W130 HydrophobicContact CB-CH2 4.02Å; R128-W130 HydrophobicContact CB-CZ2 3.61Å; R128-W130 HydrophobicContact CB-CZ3 4.16Å; R128-W130 HydrophobicContact CG-CD2 4.42Å; R128-W130 HydrophobicContact CG-CH2 4.09Å; R128-W130 HydrophobicContact CG-CZ2 3.52Å; R128-W130 PolarHBondContact O-N 3.29Å; R128-E131 HydrophobicContact CB-CB 4.27Å; R128-E131 HydrophobicContact CB-CG 3.87Å; R128-E131 HydrophobicContact CG-CG 4.09Å; R128-E131 WeakPolarHBondContact CG-OE1 3.49Å; R128-E131 PolarHBondContact N-OE2 3.06Å; R128-E131 PolarHBondContact O-N 3.23Å
129P62.6Low68.5Low130 Ų130104.1 Ų104.184%0.84458%0.583SS**THydrogen-bonded Turntrans-56.6-19.7178.3-2836.2000114.9
130W70.6Confident70.3Confident173 Ų17398.8 Ų98.866%0.65555%0.55SS**THydrogen-bonded Turntrans-101.1-0.2176.664.579.6000114.3R128 A132R128-W130 HydrophobicContact CB-CD2 3.6Å; R128-W130 HydrophobicContact CB-CE3 3.97Å; R128-W130 HydrophobicContact CB-CG 4.13Å; R128-W130 HydrophobicContact CB-CH2 4.02Å; R128-W130 HydrophobicContact CB-CZ2 3.61Å; R128-W130 HydrophobicContact CB-CZ3 4.16Å; R128-W130 HydrophobicContact CG-CD2 4.42Å; R128-W130 HydrophobicContact CG-CH2 4.09Å; R128-W130 HydrophobicContact CG-CZ2 3.52Å; R128-W130 PolarHBondContact O-N 3.29Å; W130-A132 PolarHBondContact O-N 3.21Å
131E63.7Low71.6Confident84 Ų8498.2 Ų98.239%0.39354%0.539SS..SBendtrans-80.8118.1173-82.8164.1-172.100108.7Q127 R128 K133Q127-E131 VanDerWaalsContact CA-OE2 3.29Å; Q127-E131 WeakPolarHBondContact CA-OE2 3.48Å; Q127-E131 HydrophobicContact CB-CB 4.49Å; R128-E131 HydrophobicContact CB-CB 4.27Å; R128-E131 HydrophobicContact CB-CG 3.87Å; R128-E131 HydrophobicContact CG-CG 4.09Å; R128-E131 WeakPolarHBondContact CG-OE1 3.49Å; R128-E131 PolarHBondContact N-OE2 3.06Å; R128-E131 PolarHBondContact O-N 3.23Å; E131-K133 PolarHBondContact O-N 3.2Å
132A58.9Low73.4Confident90 Ų9092.9 Ų92.974%0.74450%0.495SS*.PPolyproline II helixtrans-54.9125.3177.600000110.1Q127 W130 A134Q127-A132 PolarHBondContact NE2-O 3.41Å; W130-A132 PolarHBondContact O-N 3.21Å; A132-A134 PolarHBondContact O-N 2.88Å
133K63.1Low75Confident170 Ų17088.6 Ų88.674%0.73947%0.469SS*.PPolyproline II helixtrans-63133.6173.7-67.4177.7-179.4175.50108.4E131 T135E131-K133 PolarHBondContact O-N 3.2Å; K133-T135 PolarHBondContact O-N 3.29Å
134A66.4Low76.9Confident74 Ų7482.6 Ų82.661%0.61243%0.432SS*.  trans-57.1109.2176.400000109.8A132A132-A134 PolarHBondContact O-N 2.88Å
135T81.9Confident79Confident111 Ų11174.9 Ų74.968%0.68140%0.398SS*.  trans-82.6143.8173.643.70000109.4S99 K133 M137S99-T135 WeakPolarHBondContact CB-O 3.49Å; K133-T135 PolarHBondContact O-N 3.29Å; T135-M137 PolarHBondContact O-N 3.37Å
136R90.3Very high81.1Confident78 Ų7872.2 Ų72.229%0.29438%0.382SS..  trans-57.3135.5174.9-171-17070.7-177.14109.9L138 E153 I157 L160R136-L138 HydrophobicContact CG-CD2 4.26Å; R136-L138 HydrophobicContact CG-CG 4.17Å; R136-E153 IonicContact CZ-OE1 3.51Å; R136-E153 IonicContact CZ-OE2 3.45Å; R136-E153 IonicContact NE-OE1 3.2Å; R136-E153 PolarHBondContact NE-OE1 3.13Å; R136-E153 IonicContact NE-OE2 3.39Å; R136-E153 PolarHBondContact NE-OE2 2.78Å; R136-E153 IonicContact NH2-OE1 2.71Å; R136-E153 PolarHBondContact NH2-OE1 3.33Å; R136-E153 IonicContact NH2-OE2 2.69Å; R136-E153 PolarHBondContact NH2-OE2 2.72Å; R136-I157 PolarHBondContact NH2-O 3.34Å; R136-L160 PolarHBondContact NH1-O 2.88Å; R136-L160 PolarHBondContact NH2-O 3Å
137M94Very high83Confident67 Ų6769.1 Ų69.133%0.3336%0.361SS..  trans-134.195.1175.3-178179.8-7200108.4D97 V98 T135 M152D97-M137 PolarHBondContact OD1-N 3.34Å; V98-M137 HydrophobicContact CG2-CB 4.23Å; V98-M137 HydrophobicContact CG2-CG 3.82Å; V98-M137 VanDerWaalsContact CG2-O 3.25Å; V98-M137 WeakPolarHBondContact CG2-O 3.43Å; V98-M137 HydrophobicContact CG2-SD 3.99Å; V98-M137 PolarHBondContact N-O 3.28Å; T135-M137 PolarHBondContact O-N 3.37Å; M137-M152 HydrophobicContact CE-SD 4.43Å; M137-M152 HydrophobicContact CG-CG 4Å; M137-M152 HydrophobicContact CG-SD 4.48Å; M137-M152 HydrophobicContact SD-CE 3.96Å; M137-M152 HydrophobicContact SD-CG 4.13Å; M137-M152 HydrophobicContact SD-SD 3.81Å
138L95.3Very high84.9Confident7 Ų767.7 Ų67.74%0.03736%0.362CS..EExtended strand (participates in β ladder)trans-76.5129174.1-62.1175.2000111.3L95 L96 D97 R136 L140 E153 L160L95-L138 HydrophobicContact CD1-CD1 4.27Å; L95-L138 HydrophobicContact CD2-CD1 4.29Å; L95-L138 HydrophobicContact CD2-CD2 3.78Å; L95-L138 HydrophobicContact CD2-CG 4.49Å; L95-L138 HydrophobicContact CG-CD2 4.46Å; L96-L138 CarbonylContact O-C 3.48Å; L96-L138 WeakPolarHBondContact O-CA 3.47Å; D97-L138 HydrophobicContact CB-CD2 3.89Å; R136-L138 HydrophobicContact CG-CD2 4.26Å; R136-L138 HydrophobicContact CG-CG 4.17Å; L138-L140 HydrophobicContact CB-CD1 3.99Å; L138-E153 HydrophobicContact CB-CB 4.14Å; L138-E153 WeakPolarHBondContact CB-OE2 3.4Å; L138-E153 VanDerWaalsContact CG-OE2 3.26Å; L138-E153 WeakPolarHBondContact CG-OE2 3.28Å; L138-E153 PolarHBondContact N-OE2 3.21Å; L138-E153 WeakPolarHBondContact O-CB 3.35Å; L138-E153 PolarHBondContact O-N 2.74Å; L138-L160 HydrophobicContact CD1-CB 3.83Å
139L96.7Very high86.1Confident31 Ų3161.3 Ų61.316%0.16234%0.339CS..EExtended strand (participates in β ladder)trans-102.1126.7165.5-172.168.5000108.6L95 L96 V98 E150 M152L95-L139 WeakPolarHBondContact CA-O 3.49Å; L96-L139 PolarHBondContact N-O 2.86Å; L96-L139 PolarHBondContact O-N 2.88Å; V98-L139 HydrophobicContact CG1-CB 3.73Å; V98-L139 HydrophobicContact CG1-CD2 4.1Å; V98-L139 HydrophobicContact CG2-CB 4.1Å; L139-E150 HydrophobicContact CD1-CB 4.16Å; L139-M152 HydrophobicContact CD1-CB 4.33Å; L139-M152 HydrophobicContact CD1-CE 4.46Å
140L97.3Very high87.8Confident0 Ų058.8 Ų58.80%032%0.315CS..EExtended strand (participates in β ladder)trans-114.8134.3-179-66.381.5000109.1V92 S94 L95 L138 I142 E150 A151 L160 L164 L170V92-L140 HydrophobicContact CG1-CB 4.48Å; V92-L140 HydrophobicContact CG1-CD2 4.13Å; V92-L140 HydrophobicContact CG2-CD2 3.96Å; S94-L140 WeakPolarHBondContact O-CA 3.15Å; L95-L140 HydrophobicContact CB-CG 4.44Å; L95-L140 HydrophobicContact CD1-CD1 4.42Å; L95-L140 HydrophobicContact CD1-CD2 4.07Å; L95-L140 HydrophobicContact CD1-CG 3.97Å; L95-L140 HydrophobicContact CG-CG 4.18Å; L138-L140 HydrophobicContact CB-CD1 3.99Å; L140-I142 HydrophobicContact CB-CG2 3.95Å; L140-E150 CarbonylContact O-C 3.55Å; L140-E150 WeakPolarHBondContact O-CA 3.33Å; L140-A151 PolarHBondContact N-O 2.94Å; L140-A151 PolarHBondContact O-N 2.99Å; L140-L160 HydrophobicContact CD1-CD1 4.21Å; L140-L160 HydrophobicContact CD2-CD1 4.3Å; L140-L160 HydrophobicContact CD2-CD2 4.26Å; L140-L164 HydrophobicContact CD2-CD2 4.35Å; L140-L170 HydrophobicContact CD2-CD1 4.1Å
141Q97.2Very high89.1Confident64 Ų6450.5 Ų50.530%0.29928%0.284SS..EExtended strand (participates in β ladder)trans-88118163.2-62.1-64.5-38.400107.3D93 S94 E150D93-Q141 HydrophobicContact CB-CB 4.34Å; D93-Q141 PolarHBondContact N-O 2.83Å; S94-Q141 PolarHBondContact O-N 2.84Å; S94-Q141 WeakPolarHBondContact OG-CG 3.13Å; Q141-E150 PolarHBondContact NE2-OE1 2.69Å
142I97.5Very high90.7Very high2 Ų248.6 Ų48.61%0.0128%0.276CS..EExtended strand (participates in β ladder)trans-121.5152.6-176.763.8165.4000111.9V90 Q91 V92 L140 S148 L149 A151 L172V90-I142 HydrophobicContact CG2-CB 4.43Å; V90-I142 HydrophobicContact CG2-CD1 4.4Å; Q91-I142 CarbonylContact O-C 3.56Å; Q91-I142 WeakPolarHBondContact O-CA 3.48Å; V92-I142 HydrophobicContact CG2-CG2 4.12Å; L140-I142 HydrophobicContact CB-CG2 3.95Å; I142-S148 CarbonylContact O-C 3.51Å; I142-S148 VanDerWaalsContact O-CA 3.28Å; I142-S148 WeakPolarHBondContact O-CA 3.48Å; I142-L149 HydrophobicContact CG1-CB 4.07Å; I142-L149 WeakPolarHBondContact CG1-O 3.42Å; I142-L149 PolarHBondContact N-O 3.4Å; I142-L149 PolarHBondContact O-N 2.81Å; I142-A151 HydrophobicContact CD1-CB 3.85Å; I142-A151 HydrophobicContact CG1-CB 4.19Å; I142-A151 HydrophobicContact CG2-CB 4.37Å; I142-L172 HydrophobicContact CD1-CD1 3.92Å
143T97.8Very high92.4Very high2 Ų244.5 Ų44.51%0.01224%0.241CC..EExtended strand (participates in β ladder)trans-145.1150.6176-174.40000112V90 Q91 G145 Q147V90-T143 WeakPolarHBondContact CA-O 3.41Å; V90-T143 WeakPolarHBondContact CB-O 3.44Å; Q91-T143 HydrophobicContact CB-CG2 4.03Å; Q91-T143 HydrophobicContact CG-CG2 4.34Å; Q91-T143 PolarHBondContact N-O 3.07Å; Q91-T143 PolarHBondContact O-N 2.79Å; T143-G145 PolarHBondContact OG1-N 2.92Å; T143-Q147 VanDerWaalsContact CA-O 3.25Å; T143-Q147 WeakPolarHBondContact CA-O 3.35Å; T143-Q147 WeakPolarHBondContact CB-O 3.21Å; T143-Q147 PolarHBondContact OG1-O 2.83Å
144D97.3Very high93.9Very high4 Ų443.4 Ų43.42%0.02123%0.233CC..SBendtrans-92.20164.363.5-2.1000113.3P70 V71 L72 V146 Q147P70-D144 WeakPolarHBondContact CA-OD2 3.44Å; V71-D144 HydrophobicContact CG2-CB 3.79Å; V71-D144 PolarHBondContact N-OD2 3.5Å; L72-D144 WeakPolarHBondContact CB-OD2 3.39Å; L72-D144 HydrophobicContact CD1-CB 4.05Å; L72-D144 HydrophobicContact CG-CB 4.14Å; L72-D144 PolarHBondContact N-OD2 2.83Å; D144-V146 PolarHBondContact OD1-N 2.89Å; D144-Q147 PolarHBondContact N-O 2.87Å; D144-Q147 WeakPolarHBondContact OD1-CG 3.45Å; D144-Q147 PolarHBondContact OD1-N 2.83Å
145G96.1Very high95.2Very high10 Ų1045 Ų4510%0.10323%0.228CC..SBendtrans105.8-22.7-172.700000113.7L64 T143L64-G145 VanDerWaalsContact C-CA 3.45Å; L64-G145 WeakPolarHBondContact O-CA 3.48Å; T143-G145 PolarHBondContact OG1-N 2.92Å
146V96.3Very high95.6Very high75 Ų7543 Ų4346%0.45522%0.219SC..SBendtrans-117.3-40-175.5-177.80000112.1P70 D144P70-V146 HydrophobicContact CB-CB 4.05Å; P70-V146 HydrophobicContact CB-CG1 4.38Å; P70-V146 HydrophobicContact CB-CG2 3.99Å; P70-V146 HydrophobicContact CG-CG2 4.31Å; D144-V146 PolarHBondContact OD1-N 2.89Å
147Q94.6Very high95.8Very high34 Ų3439.5 Ų39.516%0.15921%0.206CC..  trans-118.4150.2171.663.9-179.2-53.900111.5L72 P73 T143 D144L72-Q147 HydrophobicContact CB-CG 4.4Å; L72-Q147 HydrophobicContact CD1-CG 4.42Å; L72-Q147 PolarHBondContact O-NE2 2.83Å; L72-Q147 VanDerWaalsContact O-NE2 3.08Å; P73-Q147 PolarHBondContact O-NE2 2.9Å; T143-Q147 VanDerWaalsContact CA-O 3.25Å; T143-Q147 WeakPolarHBondContact CA-O 3.35Å; T143-Q147 WeakPolarHBondContact CB-O 3.21Å; T143-Q147 PolarHBondContact OG1-O 2.83Å; D144-Q147 PolarHBondContact N-O 2.87Å; D144-Q147 WeakPolarHBondContact OD1-CG 3.45Å; D144-Q147 PolarHBondContact OD1-N 2.83Å
148S95.6Very high95.6Very high76 Ų7641.4 Ų41.453%0.53122%0.224SC..EExtended strand (participates in β ladder)trans-112.8139.5172.1-56.50000110I142I142-S148 CarbonylContact O-C 3.51Å; I142-S148 VanDerWaalsContact O-CA 3.28Å; I142-S148 WeakPolarHBondContact O-CA 3.48Å
149L96Very high95.3Very high6 Ų643.9 Ų43.93%0.03125%0.245CC..EExtended strand (participates in β ladder)trans-134.8157.5178.8-59.2175.9000110.1L72 L76 A77 I142 V183L72-L149 HydrophobicContact CD1-CD1 3.93Å; L76-L149 HydrophobicContact CB-CD1 3.78Å; L76-L149 HydrophobicContact CB-CD2 3.72Å; L76-L149 HydrophobicContact CB-CG 4.43Å; L76-L149 HydrophobicContact CD1-CD1 3.66Å; L76-L149 HydrophobicContact CG-CD1 4.38Å; A77-L149 HydrophobicContact CB-CD2 3.79Å; I142-L149 HydrophobicContact CG1-CB 4.07Å; I142-L149 WeakPolarHBondContact CG1-O 3.42Å; I142-L149 PolarHBondContact N-O 3.4Å; I142-L149 PolarHBondContact O-N 2.81Å; L149-V183 HydrophobicContact CD1-CG2 4.15Å
150E97.2Very high95Very high76 Ų7642.4 Ų42.436%0.35524%0.237SC..EExtended strand (participates in β ladder)trans-89.5143.8165.6-52.1-157.7134.300109.7L139 L140 Q141 V182 V183L139-E150 HydrophobicContact CD1-CB 4.16Å; L140-E150 CarbonylContact O-C 3.55Å; L140-E150 WeakPolarHBondContact O-CA 3.33Å; Q141-E150 PolarHBondContact NE2-OE1 2.69Å; E150-V182 HydrophobicContact CB-CG1 4.25Å; E150-V182 HydrophobicContact CB-CG2 4.22Å; E150-V182 CarbonylContact O-C 3.55Å; E150-V182 WeakPolarHBondContact O-CA 3.14Å; E150-V183 PolarHBondContact O-N 2.64Å
151A97.6Very high94.3Very high0 Ų043.9 Ų43.90%025%0.247CC..EExtended strand (participates in β ladder)trans-134.6133173.200000111L140 I142 V183 L185L140-A151 PolarHBondContact N-O 2.94Å; L140-A151 PolarHBondContact O-N 2.99Å; I142-A151 HydrophobicContact CD1-CB 3.85Å; I142-A151 HydrophobicContact CG1-CB 4.19Å; I142-A151 HydrophobicContact CG2-CB 4.37Å; A151-V183 CarbonylContact C-O 3.54Å; A151-V183 VanDerWaalsContact CA-O 3.28Å; A151-V183 WeakPolarHBondContact CA-O 3.36Å; A151-V183 HydrophobicContact CB-CB 4.17Å; A151-L185 HydrophobicContact CB-CD1 3.71Å; A151-L185 HydrophobicContact CB-CG 4.17Å
152M96.7Very high93.1Very high43 Ų4346.1 Ų46.121%0.21227%0.27CS..EExtended strand (participates in β ladder)trans-115.7133.6-170.2177.8179.6-78.200110.9M137 L139 Y154 V182 V183 L185M137-M152 HydrophobicContact CE-SD 4.43Å; M137-M152 HydrophobicContact CG-CG 4Å; M137-M152 HydrophobicContact CG-SD 4.48Å; M137-M152 HydrophobicContact SD-CE 3.96Å; M137-M152 HydrophobicContact SD-CG 4.13Å; M137-M152 HydrophobicContact SD-SD 3.81Å; L139-M152 HydrophobicContact CD1-CB 4.33Å; L139-M152 HydrophobicContact CD1-CE 4.46Å; M152-Y154 VanDerWaalsContact C-N 3.31Å; M152-Y154 PolarHBondContact O-N 2.84Å; M152-V182 HydrophobicContact CB-CG1 3.82Å; M152-V183 PolarHBondContact N-O 3.32Å; M152-L185 WeakPolarHBondContact O-CB 3.25Å; M152-L185 PolarHBondContact O-N 2.94Å
153E96.4Very high92.1Very high4 Ų451.4 Ų51.42%0.01930%0.303CS..EExtended strand (participates in β ladder)trans-64.787.5164.6-176177.3-160.300109.4R136 L138 Q155 S156 I157R136-E153 IonicContact CZ-OE1 3.51Å; R136-E153 IonicContact CZ-OE2 3.45Å; R136-E153 IonicContact NE-OE1 3.2Å; R136-E153 PolarHBondContact NE-OE1 3.13Å; R136-E153 IonicContact NE-OE2 3.39Å; R136-E153 PolarHBondContact NE-OE2 2.78Å; R136-E153 IonicContact NH2-OE1 2.71Å; R136-E153 PolarHBondContact NH2-OE1 3.33Å; R136-E153 IonicContact NH2-OE2 2.69Å; R136-E153 PolarHBondContact NH2-OE2 2.72Å; L138-E153 HydrophobicContact CB-CB 4.14Å; L138-E153 WeakPolarHBondContact CB-OE2 3.4Å; L138-E153 VanDerWaalsContact CG-OE2 3.26Å; L138-E153 WeakPolarHBondContact CG-OE2 3.28Å; L138-E153 PolarHBondContact N-OE2 3.21Å; L138-E153 WeakPolarHBondContact O-CB 3.35Å; L138-E153 PolarHBondContact O-N 2.74Å; E153-Q155 WeakPolarHBondContact CG-O 3.29Å; E153-S156 VanDerWaalsContact OE1-CA 3.23Å; E153-S156 WeakPolarHBondContact OE1-CA 3.29Å; E153-S156 PolarHBondContact OE1-OG 2.96Å; E153-I157 HydrophobicContact CG-CG1 4.29Å; E153-I157 PolarHBondContact OE1-N 2.81Å
154Y94.8Very high91.7Very high147 Ų14752.3 Ų52.358%0.57631%0.307SS*.SBendtrans-83.8-29.6-178.3-177-96.4000111.9M152 F184 L185M152-Y154 VanDerWaalsContact C-N 3.31Å; M152-Y154 PolarHBondContact O-N 2.84Å; Y154-F184 HydrophobicContact CD2-CB 4.43Å; Y154-F184 AromaticContact CD2-CD2 3.94Å; Y154-F184 HydrophobicContact CD2-CD2 3.94Å; Y154-F184 HydrophobicContact CD2-CE2 4.32Å; Y154-F184 HydrophobicContact CD2-CG 4.09Å; Y154-F184 HydrophobicContact CE2-CD2 4.19Å; Y154-F184 HydrophobicContact CE2-CE2 4.29Å; Y154-F184 HydrophobicContact CG-CB 4.08Å; Y154-F184 HydrophobicContact CG-CD2 4.31Å; Y154-F184 HydrophobicContact CG-CG 4.24Å; Y154-L185 PolarHBondContact N-O 3.25Å
155Q92.4Very high91.5Very high107 Ų10757.1 Ų57.150%0.533%0.325SS..SBendtrans-125.6150162.5-65.2175.40.700107.8E153 I157 L185E153-Q155 WeakPolarHBondContact CG-O 3.29Å; Q155-I157 VanDerWaalsContact O-CG1 3.31Å; Q155-I157 WeakPolarHBondContact O-CG1 3.31Å; Q155-I157 PolarHBondContact O-N 3.06Å; Q155-L185 PolarHBondContact N-O 3.11Å
156S91.3Very high91.5Very high71 Ų7157.7 Ų57.750%0.49733%0.327SS..  trans-61.9133.2-173.3-169.20000113E153 P158E153-S156 VanDerWaalsContact OE1-CA 3.23Å; E153-S156 WeakPolarHBondContact OE1-CA 3.29Å; E153-S156 PolarHBondContact OE1-OG 2.96Å; S156-P158 WeakPolarHBondContact O-CD 3.42Å
157I94.1Very high91.6Very high4 Ų454.1 Ų54.12%0.02131%0.305CS..  trans-120.387.2178.8-48.7-173.4000108.2R136 E153 Q155 A159 L160 L185 G186 V190R136-I157 PolarHBondContact NH2-O 3.34Å; E153-I157 HydrophobicContact CG-CG1 4.29Å; E153-I157 PolarHBondContact OE1-N 2.81Å; Q155-I157 VanDerWaalsContact O-CG1 3.31Å; Q155-I157 WeakPolarHBondContact O-CG1 3.31Å; Q155-I157 PolarHBondContact O-N 3.06Å; I157-A159 HydrophobicContact CG2-CB 4.38Å; I157-A159 PolarHBondContact O-N 3.44Å; I157-L160 HydrophobicContact CB-CB 4.46Å; I157-L160 HydrophobicContact CB-CD1 4.07Å; I157-L160 HydrophobicContact CB-CG 4.21Å; I157-L160 HydrophobicContact CD1-CD1 4Å; I157-L160 HydrophobicContact CG2-CB 4.46Å; I157-L160 HydrophobicContact CG2-CD1 4.13Å; I157-L160 HydrophobicContact CG2-CG 3.91Å; I157-L160 PolarHBondContact O-N 3.21Å; I157-L185 HydrophobicContact CD1-CB 3.76Å; I157-G186 WeakPolarHBondContact CD1-O 3.28Å; I157-V190 HydrophobicContact CD1-CB 4.19Å; I157-V190 HydrophobicContact CD1-CG2 3.63Å; I157-V190 HydrophobicContact CG2-CB 4.36Å
158P89.4Confident91.7Very high107 Ų10752.6 Ų52.670%0.69530%0.298SS*.THydrogen-bonded Turntrans-58.6-19.4-176.2-2836.3000115.3S156S156-P158 WeakPolarHBondContact O-CD 3.42Å
159A88.5Confident91.9Very high59 Ų5949 Ų4949%0.48827%0.273SS..THydrogen-bonded Turntrans-69-33.6173.400000112.9I157 I192I157-A159 HydrophobicContact CG2-CB 4.38Å; I157-A159 PolarHBondContact O-N 3.44Å; A159-I192 HydrophobicContact CB-CD1 4.06Å; A159-I192 WeakPolarHBondContact O-CD1 3.39Å
160L90Very high91.9Very high0 Ų048.7 Ų48.70%027%0.272CS..  trans-76.1131.6172-63.9177.2000108.9R136 L138 L140 I157 L164 L170 V190 I192R136-L160 PolarHBondContact NH1-O 2.88Å; R136-L160 PolarHBondContact NH2-O 3Å; L138-L160 HydrophobicContact CD1-CB 3.83Å; L140-L160 HydrophobicContact CD1-CD1 4.21Å; L140-L160 HydrophobicContact CD2-CD1 4.3Å; L140-L160 HydrophobicContact CD2-CD2 4.26Å; I157-L160 HydrophobicContact CB-CB 4.46Å; I157-L160 HydrophobicContact CB-CD1 4.07Å; I157-L160 HydrophobicContact CB-CG 4.21Å; I157-L160 HydrophobicContact CD1-CD1 4Å; I157-L160 HydrophobicContact CG2-CB 4.46Å; I157-L160 HydrophobicContact CG2-CD1 4.13Å; I157-L160 HydrophobicContact CG2-CG 3.91Å; I157-L160 PolarHBondContact O-N 3.21Å; L160-L164 HydrophobicContact CD2-CD2 3.88Å; L160-L170 HydrophobicContact CD2-CD1 4.37Å; L160-L170 HydrophobicContact CD2-CD2 4.4Å; L160-V190 HydrophobicContact CD2-CG1 4.18Å; L160-V190 HydrophobicContact CG-CG1 4.42Å; L160-I192 HydrophobicContact CD2-CD1 4.37Å; L160-I192 HydrophobicContact CD2-CG1 4.5Å
161S83.9Confident91.9Very high30 Ų3045.3 Ų45.321%0.2126%0.256CS..SBendtrans-162.2179.4175.286.40000110.2T163 L164S161-T163 PolarHBondContact O-N 2.93Å; S161-T163 VanDerWaalsContact O-N 3.07Å; S161-T163 PolarHBondContact OG-N 2.88Å; S161-T163 VanDerWaalsContact OG-N 3.12Å; S161-T163 PolarHBondContact OG-OG1 2.78Å; S161-L164 WeakPolarHBondContact O-CB 3.35Å; S161-L164 PolarHBondContact O-N 2.79Å
162S72Confident91.9Very high111 Ų11145.3 Ų45.378%0.77626%0.256SS*.THydrogen-bonded Turntrans-63-5.617350.60000114.8L164S162-L164 PolarHBondContact O-N 3.44Å
163T74.9Confident91.9Very high113 Ų11346.4 Ų46.469%0.69326%0.261SS*.THydrogen-bonded Turntrans-74.3-11.9168.265.80000113.4S161 R165S161-T163 PolarHBondContact O-N 2.93Å; S161-T163 VanDerWaalsContact O-N 3.07Å; S161-T163 PolarHBondContact OG-N 2.88Å; S161-T163 VanDerWaalsContact OG-N 3.12Å; S161-T163 PolarHBondContact OG-OG1 2.78Å; T163-R165 PolarHBondContact O-N 2.93Å
164L89.8Confident91.8Very high22 Ų2247.9 Ų47.912%0.11528%0.277CS..  trans-76.5108.2179.3-167.869.2000109.7V92 L95 L140 L160 S161 S162 A168 L170 I192V92-L164 HydrophobicContact CB-CD2 4.39Å; V92-L164 HydrophobicContact CG1-CD2 4.26Å; V92-L164 HydrophobicContact CG2-CD2 4.06Å; L95-L164 HydrophobicContact CD1-CB 4.27Å; L95-L164 HydrophobicContact CD1-CD2 3.8Å; L140-L164 HydrophobicContact CD2-CD2 4.35Å; L160-L164 HydrophobicContact CD2-CD2 3.88Å; S161-L164 WeakPolarHBondContact O-CB 3.35Å; S161-L164 PolarHBondContact O-N 2.79Å; S162-L164 PolarHBondContact O-N 3.44Å; L164-A168 HydrophobicContact CD1-CB 3.57Å; L164-A168 HydrophobicContact CG-CB 4.04Å; L164-L170 HydrophobicContact CD1-CD2 4.44Å; L164-I192 HydrophobicContact CD1-CD1 4.37Å; L164-I192 HydrophobicContact CD1-CG2 4.14Å
165R93.5Very high91.9Very high105 Ų10546.8 Ų46.840%0.39628%0.275SS..  trans-73.5144.4-178.1-62.7-76.7-65.5-70.4-0.6110.7T163 G167 A168 E196T163-R165 PolarHBondContact O-N 2.93Å; R165-G167 PolarHBondContact O-N 2.98Å; R165-A168 WeakPolarHBondContact O-CB 3.4Å; R165-A168 PolarHBondContact O-N 3.4Å; R165-A168 VanDerWaalsContact O-N 3.08Å; R165-E196 HydrophobicContact CB-CB 3.78Å; R165-E196 WeakPolarHBondContact CG-OE2 3.08Å; R165-E196 IonicContact CZ-OE1 2.73Å; R165-E196 IonicContact CZ-OE2 3.23Å; R165-E196 VanDerWaalsContact CZ-OE2 3.23Å; R165-E196 IonicContact NE-OE2 2.64Å; R165-E196 IonicContact NH1-OE1 3.73Å; R165-E196 PolarHBondContact NH1-OE1 2.99Å; R165-E196 IonicContact NH1-OE2 3.41Å; R165-E196 PolarHBondContact NH1-OE2 3.09Å; R165-E196 IonicContact NH2-OE1 2.8Å; R165-E196 PolarHBondContact NH2-OE1 3.37Å; R165-E196 IonicContact NH2-OE2 3.06Å
166P96.9Very high92.1Very high21 Ų2141.8 Ų41.814%0.13625%0.252CS..THydrogen-bonded Turntrans-53.5139.7169.7-28.336.4000112.3A168 V197 L200 N204P166-A168 VanDerWaalsContact C-N 3.31Å; P166-V197 PolarHBondContact O-N 3.2Å; P166-V197 VanDerWaalsContact O-N 3.07Å; P166-L200 HydrophobicContact CB-CB 3.7Å; P166-L200 WeakPolarHBondContact CB-O 3.23Å; P166-N204 HydrophobicContact CB-CB 4.26Å; P166-N204 HydrophobicContact CG-CB 4.12Å
167G97.6Very high92.4Very high0 Ų040.8 Ų40.80%024%0.243CC..THydrogen-bonded Turntrans84.8-6.9-172.300000115.1V92 R165 K169V92-G167 WeakPolarHBondContact O-CA 3.25Å; V92-G167 PolarHBondContact O-N 2.82Å; R165-G167 PolarHBondContact O-N 2.98Å; G167-K169 PolarHBondContact O-NZ 2.83Å
168A97.7Very high92.4Very high2 Ų240.6 Ų40.62%0.01724%0.242CC..  trans-61142.6179.100000112.6V92 L164 R165 P166 G195V92-A168 PolarHBondContact N-O 3.39Å; L164-A168 HydrophobicContact CD1-CB 3.57Å; L164-A168 HydrophobicContact CG-CB 4.04Å; R165-A168 WeakPolarHBondContact O-CB 3.4Å; R165-A168 PolarHBondContact O-N 3.4Å; R165-A168 VanDerWaalsContact O-N 3.08Å; P166-A168 VanDerWaalsContact C-N 3.31Å; A168-G195 VanDerWaalsContact CA-O 3.28Å; A168-G195 WeakPolarHBondContact CA-O 3.45Å; A168-G195 VanDerWaalsContact CB-O 3.29Å; A168-G195 WeakPolarHBondContact CB-O 3.44Å
169K98.1Very high92.6Very high0 Ų039.5 Ų39.50%022%0.224CC..EExtended strand (participates in β ladder)trans-95133.6-175.9-51.3-56.7-173-70.90111.2W59 L60 T62 L64 V90 Q91 G167 L193 G194W59-K169 HydrophobicContact CE3-CG 4.31Å; W59-K169 HydrophobicContact CH2-CB 3.68Å; W59-K169 HydrophobicContact CH2-CD 4.26Å; W59-K169 HydrophobicContact CH2-CG 3.84Å; W59-K169 HydrophobicContact CZ2-CD 4.44Å; W59-K169 HydrophobicContact CZ2-CG 4.44Å; W59-K169 HydrophobicContact CZ3-CB 3.71Å; W59-K169 HydrophobicContact CZ3-CG 3.77Å; W59-K169 WeakPolarHBondContact O-CE 3.45Å; L60-K169 HydrophobicContact CD2-CB 3.99Å; L60-K169 HydrophobicContact CD2-CG 4.01Å; L60-K169 PolarHBondContact O-NZ 2.84Å; T62-K169 WeakPolarHBondContact O-CE 3.33Å; T62-K169 PolarHBondContact O-NZ 2.81Å; L64-K169 HydrophobicContact CD1-CD 4.42Å; L64-K169 HydrophobicContact CD2-CD 4.38Å; L64-K169 HydrophobicContact CG-CD 4.28Å; V90-K169 CarbonylContact O-C 3.56Å; V90-K169 WeakPolarHBondContact O-CA 3.5Å; Q91-K169 HydrophobicContact CB-CD 4.11Å; G167-K169 PolarHBondContact O-NZ 2.83Å; K169-L193 HydrophobicContact CB-CB 4.22Å; K169-L193 WeakPolarHBondContact O-CB 3.48Å; K169-L193 PolarHBondContact O-N 3.35Å; K169-G194 PolarHBondContact N-O 3.05Å; K169-G194 PolarHBondContact O-N 3.06Å
170L97.4Very high92.8Very high0 Ų042 Ų420%023%0.228CC..EExtended strand (participates in β ladder)trans-116.7141.3174.8-60.5-176.5000110.6C89 V90 V92 L140 L160 L164 V190 I192C89-L170 WeakPolarHBondContact CA-O 3.35Å; V90-L170 HydrophobicContact CG2-CB 4.05Å; V90-L170 PolarHBondContact N-O 2.86Å; V90-L170 PolarHBondContact O-N 3.02Å; V92-L170 HydrophobicContact CG2-CD1 3.42Å; V92-L170 VanDerWaalsContact CG2-CD1 3.42Å; V92-L170 HydrophobicContact CG2-CG 3.67Å; L140-L170 HydrophobicContact CD2-CD1 4.1Å; L160-L170 HydrophobicContact CD2-CD1 4.37Å; L160-L170 HydrophobicContact CD2-CD2 4.4Å; L164-L170 HydrophobicContact CD1-CD2 4.44Å; L170-V190 HydrophobicContact CD1-CG1 4.2Å; L170-V190 HydrophobicContact CD2-CG1 4.24Å; L170-I192 HydrophobicContact CD2-CB 4.14Å; L170-I192 HydrophobicContact CD2-CG1 3.66Å; L170-I192 HydrophobicContact CD2-CG2 4.33Å
171Q97.6Very high92.8Very high5 Ų542.4 Ų42.42%0.02323%0.232CC..EExtended strand (participates in β ladder)trans-93.4106.6160.8-176.5-167.6-24.700107.8T87 K191 L193T87-Q171 HydrophobicContact CG2-CG 3.6Å; T87-Q171 VanDerWaalsContact CG2-NE2 3.33Å; Q171-K191 HydrophobicContact CB-CB 4.28Å; Q171-K191 PolarHBondContact N-O 2.94Å; Q171-K191 PolarHBondContact O-N 2.92Å; Q171-L193 HydrophobicContact CB-CD1 4.14Å; Q171-L193 HydrophobicContact CB-CD2 4.05Å; Q171-L193 HydrophobicContact CB-CG 4.1Å
172L97.4Very high93.4Very high1 Ų142 Ų421%0.00523%0.229CC..EExtended strand (participates in β ladder)trans-79.5141.2164.9-57.6-175.8000109.1T87 F88 V90 I142 M176 L185 N189 V190T87-L172 CarbonylContact C-O 3.59Å; T87-L172 WeakPolarHBondContact CA-O 3.49Å; F88-L172 HydrophobicContact CB-CB 4.43Å; F88-L172 PolarHBondContact N-O 2.97Å; F88-L172 PolarHBondContact O-N 2.82Å; V90-L172 HydrophobicContact CG1-CD1 4.18Å; V90-L172 HydrophobicContact CG2-CD1 3.94Å; V90-L172 HydrophobicContact CG2-CG 3.87Å; I142-L172 HydrophobicContact CD1-CD1 3.92Å; L172-M176 HydrophobicContact CB-CE 4.08Å; L172-M176 HydrophobicContact CB-SD 4.04Å; L172-L185 HydrophobicContact CD2-CD1 4.45Å; L172-L185 HydrophobicContact CD2-CD2 3.92Å; L172-N189 CarbonylContact C-O 3.56Å; L172-N189 VanDerWaalsContact CA-O 3.29Å; L172-N189 WeakPolarHBondContact CA-O 3.46Å; L172-V190 HydrophobicContact CD2-CG2 4.16Å
173Q96.3Very high94.6Very high66 Ų6636.8 Ų36.831%0.30819%0.192SC..EExtended strand (participates in β ladder)trans-150.7153.9-174.659.6174.230.200114.4G86 T87 S188 N189G86-Q173 CarbonylContact O-C 3.49Å; G86-Q173 WeakPolarHBondContact O-CA 3.28Å; T87-Q173 HydrophobicContact CG2-CB 4.41Å; Q173-S188 WeakPolarHBondContact CG-O 3.19Å; Q173-S188 PolarHBondContact NE2-O 3.25Å; Q173-N189 WeakPolarHBondContact CG-O 3.49Å; Q173-N189 PolarHBondContact N-O 3.08Å; Q173-N189 WeakPolarHBondContact O-CA 3.44Å; Q173-N189 PolarHBondContact O-ND2 2.69Å
174G95.1Very high95.6Very high35 Ų3533.5 Ų33.536%0.36117%0.168SC..EExtended strand (participates in β ladder)trans74.7-154.1176.800000113.1N85 G86N85-G174 WeakPolarHBondContact CA-O 3.36Å; G86-G174 PolarHBondContact N-O 3.36Å; G86-G174 PolarHBondContact O-N 2.71Å
175K96.3Very high96Very high123 Ų12332.5 Ų32.554%0.53516%0.163SC..EExtended strand (participates in β ladder)trans-86.6125180178.1-178.3177.1110.40110.3E83 N189E83-K175 VanDerWaalsContact CD-CE 3.46Å; E83-K175 HydrophobicContact CG-CG 4.03Å; E83-K175 WeakPolarHBondContact OE1-CE 3.32Å; E83-K175 IonicContact OE1-NZ 3.07Å; E83-K175 PolarHBondContact OE1-NZ 2.67Å; E83-K175 VanDerWaalsContact OE2-CE 3.28Å; E83-K175 WeakPolarHBondContact OE2-CE 3.41Å; E83-K175 IonicContact OE2-NZ 3.74Å; E83-K175 PolarHBondContact OE2-NZ 2.91Å; K175-N189 PolarHBondContact O-ND2 2.85Å
176M96.5Very high96.1Very high2 Ų227.8 Ų27.81%0.0115%0.147CC..EExtended strand (participates in β ladder)trans-132.3140.6177.1-66.7162.6-7900109.2L84 F88 L172 V183 L185 N189L84-M176 HydrophobicContact CB-CB 4.32Å; L84-M176 HydrophobicContact CD2-CE 3.78Å; L84-M176 HydrophobicContact CD2-SD 4.4Å; L84-M176 HydrophobicContact CG-CE 3.95Å; L84-M176 PolarHBondContact N-O 2.81Å; L84-M176 PolarHBondContact O-N 2.87Å; F88-M176 HydrophobicContact CD2-CE 4.29Å; F88-M176 HydrophobicContact CE2-CE 4.47Å; L172-M176 HydrophobicContact CB-CE 4.08Å; L172-M176 HydrophobicContact CB-SD 4.04Å; M176-V183 HydrophobicContact CB-CG1 4.02Å; M176-V183 HydrophobicContact SD-CG1 4.29Å; M176-L185 HydrophobicContact CG-CD2 4.44Å; M176-L185 HydrophobicContact SD-CD2 3.85Å; M176-N189 HydrophobicContact CG-CB 3.93Å; M176-N189 VanDerWaalsContact CG-ND2 3.31Å; M176-N189 WeakPolarHBondContact CG-ND2 3.36Å; M176-N189 HydrophobicContact SD-CB 4.13Å
177V96.6Very high95.9Very high51 Ų5130 Ų3031%0.30916%0.161SC..EExtended strand (participates in β ladder)trans-88.5135.6173177.10000108.6F184V177-F184 HydrophobicContact CB-CD2 4.25Å; V177-F184 HydrophobicContact CG1-CD2 4.26Å; V177-F184 PolarHBondContact O-N 2.86Å
178C95.2Very high95.8Very high0 Ų034 Ų340%019%0.189CC..EExtended strand (participates in β ladder)trans-114128.6165.5176.60000109.2K81 T82 V182 V183K81-C178 CarbonylContact C-O 3.5Å; K81-C178 WeakPolarHBondContact CA-O 3.42Å; T82-C178 HydrophobicContact CG2-CB 3.78Å; T82-C178 PolarHBondContact N-O 3.26Å; T82-C178 PolarHBondContact O-N 2.82Å; C178-V182 CarbonylContact C-O 3.56Å; C178-V182 VanDerWaalsContact CA-O 3.25Å; C178-V182 WeakPolarHBondContact CA-O 3.44Å; C178-V183 HydrophobicContact CB-CG2 4.3Å
179R93.9Very high95.7Very high84 Ų8434.8 Ų34.832%0.31719%0.193SC..EExtended strand (participates in β ladder)trans-135.8125.1-177.7-172.2177.5-177.4162.40.7108.4Q80 G181 V182 F184 D597Q80-R179 WeakPolarHBondContact O-CA 3.38Å; R179-G181 PolarHBondContact O-N 3.28Å; R179-V182 PolarHBondContact N-O 2.94Å; R179-V182 PolarHBondContact O-N 2.92Å; R179-F184 HydrophobicContact CB-CE2 4.25Å; R179-F184 HydrophobicContact CB-CZ 3.92Å; R179-D597 IonicContact CZ-OD1 2.91Å; R179-D597 VanDerWaalsContact CZ-OD1 3.23Å; R179-D597 IonicContact NH1-OD1 3.32Å; R179-D597 PolarHBondContact NH1-OD1 3.35Å; R179-D597 IonicContact NH1-OD2 2.69Å; R179-D597 IonicContact NH2-OD1 3.52Å; R179-D597 PolarHBondContact NH2-OD1 3.46Å
180L92.6Very high95.7Very high111 Ų11135.4 Ų35.458%0.58120%0.197SC*.THydrogen-bonded Turntrans52.738-177.3-55.9173.5000113.8A79 Q80 V182A79-L180 WeakPolarHBondContact O-CA 3.33Å; A79-L180 PolarHBondContact O-N 3.08Å; Q80-L180 PolarHBondContact O-N 2.85Å; L180-V182 VanDerWaalsContact C-N 3.28Å; L180-V182 PolarHBondContact O-N 2.88Å
181G89.1Confident95.6Very high8 Ų839.7 Ų39.78%0.08222%0.216CC..THydrogen-bonded Turntrans81.4-7.9-177.800000116.1A79 R179A79-G181 PolarHBondContact O-N 3.31Å; R179-G181 PolarHBondContact O-N 3.28Å
182V96.4Very high95.5Very high22 Ų2242.4 Ų42.413%0.13323%0.23CC..EExtended strand (participates in β ladder)trans-94.3128.3177.9-1700000110.4E150 M152 C178 R179 L180 F184E150-V182 HydrophobicContact CB-CG1 4.25Å; E150-V182 HydrophobicContact CB-CG2 4.22Å; E150-V182 CarbonylContact O-C 3.55Å; E150-V182 WeakPolarHBondContact O-CA 3.14Å; M152-V182 HydrophobicContact CB-CG1 3.82Å; C178-V182 CarbonylContact C-O 3.56Å; C178-V182 VanDerWaalsContact CA-O 3.25Å; C178-V182 WeakPolarHBondContact CA-O 3.44Å; R179-V182 PolarHBondContact N-O 2.94Å; R179-V182 PolarHBondContact O-N 2.92Å; L180-V182 VanDerWaalsContact C-N 3.28Å; L180-V182 PolarHBondContact O-N 2.88Å; V182-F184 HydrophobicContact CB-CE1 4.32Å; V182-F184 HydrophobicContact CG1-CD1 4.32Å; V182-F184 HydrophobicContact CG1-CE1 4.23Å
183V97.3Very high95.4Very high1 Ų144.2 Ų44.21%0.00624%0.239CC..EExtended strand (participates in β ladder)trans-88.5125.5174.1-173.20000110.5L149 E150 A151 M152 M176 C178 L185L149-V183 HydrophobicContact CD1-CG2 4.15Å; E150-V183 PolarHBondContact O-N 2.64Å; A151-V183 CarbonylContact C-O 3.54Å; A151-V183 VanDerWaalsContact CA-O 3.28Å; A151-V183 WeakPolarHBondContact CA-O 3.36Å; A151-V183 HydrophobicContact CB-CB 4.17Å; M152-V183 PolarHBondContact N-O 3.32Å; M176-V183 HydrophobicContact CB-CG1 4.02Å; M176-V183 HydrophobicContact SD-CG1 4.29Å; C178-V183 HydrophobicContact CB-CG2 4.3Å; V183-L185 HydrophobicContact CG1-CD2 4.04Å
184F97.1Very high95.4Very high44 Ų4442.2 Ų42.219%0.19324%0.236CC..EExtended strand (participates in β ladder)trans-88.3120.2177.4-62.7-9.6000110.2Y154 V177 R179 V182Y154-F184 HydrophobicContact CD2-CB 4.43Å; Y154-F184 AromaticContact CD2-CD2 3.94Å; Y154-F184 HydrophobicContact CD2-CD2 3.94Å; Y154-F184 HydrophobicContact CD2-CE2 4.32Å; Y154-F184 HydrophobicContact CD2-CG 4.09Å; Y154-F184 HydrophobicContact CE2-CD2 4.19Å; Y154-F184 HydrophobicContact CE2-CE2 4.29Å; Y154-F184 HydrophobicContact CG-CB 4.08Å; Y154-F184 HydrophobicContact CG-CD2 4.31Å; Y154-F184 HydrophobicContact CG-CG 4.24Å; V177-F184 HydrophobicContact CB-CD2 4.25Å; V177-F184 HydrophobicContact CG1-CD2 4.26Å; V177-F184 PolarHBondContact O-N 2.86Å; R179-F184 HydrophobicContact CB-CE2 4.25Å; R179-F184 HydrophobicContact CB-CZ 3.92Å; V182-F184 HydrophobicContact CB-CE1 4.32Å; V182-F184 HydrophobicContact CG1-CD1 4.32Å; V182-F184 HydrophobicContact CG1-CE1 4.23Å
185L97.4Very high95.4Very high2 Ų241.5 Ų41.51%0.0123%0.229CC..EExtended strand (participates in β ladder)trans-108.2133.4-177.5-57.8177.3000111A151 M152 Y154 Q155 I157 L172 M176 V183 N189 V190A151-L185 HydrophobicContact CB-CD1 3.71Å; A151-L185 HydrophobicContact CB-CG 4.17Å; M152-L185 WeakPolarHBondContact O-CB 3.25Å; M152-L185 PolarHBondContact O-N 2.94Å; Y154-L185 PolarHBondContact N-O 3.25Å; Q155-L185 PolarHBondContact N-O 3.11Å; I157-L185 HydrophobicContact CD1-CB 3.76Å; L172-L185 HydrophobicContact CD2-CD1 4.45Å; L172-L185 HydrophobicContact CD2-CD2 3.92Å; M176-L185 HydrophobicContact CG-CD2 4.44Å; M176-L185 HydrophobicContact SD-CD2 3.85Å; V183-L185 HydrophobicContact CG1-CD2 4.04Å; L185-N189 HydrophobicContact CD2-CB 4.41Å; L185-V190 HydrophobicContact CB-CG2 4.04Å; L185-V190 HydrophobicContact CD1-CG2 3.82Å; L185-V190 HydrophobicContact CD2-CG2 4.11Å; L185-V190 HydrophobicContact CG-CG2 4.22Å
186G95.6Very high95.4Very high5 Ų538.7 Ų38.75%0.05222%0.218CC..  trans-113.7173.2163.600000112.6I157 S188 N189I157-G186 WeakPolarHBondContact CD1-O 3.28Å; G186-S188 PolarHBondContact O-N 2.87Å; G186-S188 VanDerWaalsContact O-N 3.12Å; G186-N189 PolarHBondContact N-OD1 3.26Å; G186-N189 WeakPolarHBondContact O-CB 3.45Å; G186-N189 PolarHBondContact O-N 2.77Å
187P93.8Very high95.5Very high67 Ų6739 Ų3944%0.43522%0.22SC..THydrogen-bonded Turntrans-63.9-20.7-172.323.4-34.1000114.6
188S94.8Very high95.5Very high85 Ų8544.3 Ų44.359%0.59424%0.241SC*.THydrogen-bonded Turntrans-81.9-18.7173.553.80000113.7Q173 G186Q173-S188 WeakPolarHBondContact CG-O 3.19Å; Q173-S188 PolarHBondContact NE2-O 3.25Å; G186-S188 PolarHBondContact O-N 2.87Å; G186-S188 VanDerWaalsContact O-N 3.12Å
189N96.5Very high95.5Very high18 Ų1848.4 Ų48.410%0.09626%0.263CS..THydrogen-bonded Turntrans-85.9-17.5-174.5-62117.5000114.2L172 Q173 K175 M176 L185 G186L172-N189 CarbonylContact C-O 3.56Å; L172-N189 VanDerWaalsContact CA-O 3.29Å; L172-N189 WeakPolarHBondContact CA-O 3.46Å; Q173-N189 WeakPolarHBondContact CG-O 3.49Å; Q173-N189 PolarHBondContact N-O 3.08Å; Q173-N189 WeakPolarHBondContact O-CA 3.44Å; Q173-N189 PolarHBondContact O-ND2 2.69Å; K175-N189 PolarHBondContact O-ND2 2.85Å; M176-N189 HydrophobicContact CG-CB 3.93Å; M176-N189 VanDerWaalsContact CG-ND2 3.31Å; M176-N189 WeakPolarHBondContact CG-ND2 3.36Å; M176-N189 HydrophobicContact SD-CB 4.13Å; L185-N189 HydrophobicContact CD2-CB 4.41Å; G186-N189 PolarHBondContact N-OD1 3.26Å; G186-N189 WeakPolarHBondContact O-CB 3.45Å; G186-N189 PolarHBondContact O-N 2.77Å
190V96.4Very high95.6Very high13 Ų1344.6 Ų44.68%0.07925%0.249CC..EExtended strand (participates in β ladder)trans-120.6129.8-170.1-1780000111.3I157 L160 L170 L172 L185I157-V190 HydrophobicContact CD1-CB 4.19Å; I157-V190 HydrophobicContact CD1-CG2 3.63Å; I157-V190 HydrophobicContact CG2-CB 4.36Å; L160-V190 HydrophobicContact CD2-CG1 4.18Å; L160-V190 HydrophobicContact CG-CG1 4.42Å; L170-V190 HydrophobicContact CD1-CG1 4.2Å; L170-V190 HydrophobicContact CD2-CG1 4.24Å; L172-V190 HydrophobicContact CD2-CG2 4.16Å; L185-V190 HydrophobicContact CB-CG2 4.04Å; L185-V190 HydrophobicContact CD1-CG2 3.82Å; L185-V190 HydrophobicContact CD2-CG2 4.11Å; L185-V190 HydrophobicContact CG-CG2 4.22Å
191K95.7Very high95.7Very high91 Ų9140.8 Ų40.840%0.39623%0.23SC..EExtended strand (participates in β ladder)trans-131121.7167.3169.9179.9156.7-141.60109.5Q171Q171-K191 HydrophobicContact CB-CB 4.28Å; Q171-K191 PolarHBondContact N-O 2.94Å; Q171-K191 PolarHBondContact O-N 2.92Å
192I96.1Very high95.9Very high62 Ų6245.2 Ų45.232%0.31825%0.249SC..EExtended strand (participates in β ladder)trans-72.2132.3177.9-57.6174000109A159 L160 L164 L170A159-I192 HydrophobicContact CB-CD1 4.06Å; A159-I192 WeakPolarHBondContact O-CD1 3.39Å; L160-I192 HydrophobicContact CD2-CD1 4.37Å; L160-I192 HydrophobicContact CD2-CG1 4.5Å; L164-I192 HydrophobicContact CD1-CD1 4.37Å; L164-I192 HydrophobicContact CD1-CG2 4.14Å; L170-I192 HydrophobicContact CD2-CB 4.14Å; L170-I192 HydrophobicContact CD2-CG1 3.66Å; L170-I192 HydrophobicContact CD2-CG2 4.33Å
193L95.9Very high95.7Very high38 Ų3850 Ų5020%0.19926%0.264CS..EExtended strand (participates in β ladder)trans-99.9-24.6173-57.1180000112W59 L60 K169 Q171W59-L193 HydrophobicContact CH2-CD1 3.93Å; W59-L193 HydrophobicContact CZ3-CD1 3.82Å; L60-L193 HydrophobicContact CD2-CB 3.89Å; K169-L193 HydrophobicContact CB-CB 4.22Å; K169-L193 WeakPolarHBondContact O-CB 3.48Å; K169-L193 PolarHBondContact O-N 3.35Å; Q171-L193 HydrophobicContact CB-CD1 4.14Å; Q171-L193 HydrophobicContact CB-CD2 4.05Å; Q171-L193 HydrophobicContact CB-CG 4.1Å
194G95.1Very high95.6Very high24 Ų2450.8 Ų50.825%0.24727%0.269CS..EExtended strand (participates in β ladder)trans99.1-153.4178.500000112.2K169K169-G194 PolarHBondContact N-O 3.05Å; K169-G194 PolarHBondContact O-N 3.06Å
195G95.9Very high95.3Very high21 Ų2151.2 Ų51.222%0.21628%0.275CS..  trans75.5173-172.300000113.4A168A168-G195 VanDerWaalsContact CA-O 3.28Å; A168-G195 WeakPolarHBondContact CA-O 3.45Å; A168-G195 VanDerWaalsContact CB-O 3.29Å; A168-G195 WeakPolarHBondContact CB-O 3.44Å
196E96.6Very high95Very high63 Ų6354 Ų5429%0.29429%0.288SS..  trans-158.6162.3175.456.4-165.9-122.300108.5M61 R165 V201M61-E196 WeakPolarHBondContact CA-O 3.45Å; M61-E196 HydrophobicContact SD-CG 4.28Å; R165-E196 HydrophobicContact CB-CB 3.78Å; R165-E196 WeakPolarHBondContact CG-OE2 3.08Å; R165-E196 IonicContact CZ-OE1 2.73Å; R165-E196 IonicContact CZ-OE2 3.23Å; R165-E196 VanDerWaalsContact CZ-OE2 3.23Å; R165-E196 IonicContact NE-OE2 2.64Å; R165-E196 IonicContact NH1-OE1 3.73Å; R165-E196 PolarHBondContact NH1-OE1 2.99Å; R165-E196 IonicContact NH1-OE2 3.41Å; R165-E196 PolarHBondContact NH1-OE2 3.09Å; R165-E196 IonicContact NH2-OE1 2.8Å; R165-E196 PolarHBondContact NH2-OE1 3.37Å; R165-E196 IonicContact NH2-OE2 3.06Å; E196-V201 HydrophobicContact CB-CG2 4.28Å
197V97.9Very high94.8Very high10 Ų1053.8 Ų53.86%0.06129%0.286CS..  trans-123.3114.4174.7173.80000106.6D63 P166 D199 L200 V201D63-V197 HydrophobicContact CB-CG1 4.1Å; D63-V197 HydrophobicContact CB-CG2 4.36Å; P166-V197 PolarHBondContact O-N 3.2Å; P166-V197 VanDerWaalsContact O-N 3.07Å; V197-D199 VanDerWaalsContact C-N 3.3Å; V197-D199 HydrophobicContact CG1-CB 4.01Å; V197-D199 PolarHBondContact O-N 2.74Å; V197-L200 HydrophobicContact CB-CB 4.17Å; V197-L200 HydrophobicContact CB-CD1 4.07Å; V197-L200 HydrophobicContact CB-CG 4.36Å; V197-L200 HydrophobicContact CG1-CB 4.37Å; V197-L200 HydrophobicContact CG1-CD1 4.34Å; V197-L200 HydrophobicContact CG1-CG 4.29Å; V197-L200 WeakPolarHBondContact O-CA 3.42Å; V197-L200 WeakPolarHBondContact O-CB 3.45Å; V197-L200 PolarHBondContact O-N 3.36Å; V197-V201 WeakPolarHBondContact O-CG2 3.28Å; V197-V201 PolarHBondContact O-N 3.37Å
198E96Very high94.8Very high162 Ų16252.4 Ų52.476%0.75727%0.272SS*.Hα-helixtrans-52.1-48.6-172.7-172.6165.7-145.700112.1L200 V201 E202E198-L200 VanDerWaalsContact C-N 3.26Å; E198-L200 PolarHBondContact O-N 2.73Å; E198-V201 WeakPolarHBondContact O-CB 3.48Å; E198-V201 PolarHBondContact O-N 3.1Å; E198-E202 PolarHBondContact O-N 2.88Å; E198-E202 VanDerWaalsContact O-N 3.13Å
199D95.1Very high94.7Very high86 Ų8648.8 Ų48.846%0.4625%0.246SC..Hα-helixtrans-49.4-39.2171.8-118.120.4000114V197 R203V197-D199 VanDerWaalsContact C-N 3.3Å; V197-D199 HydrophobicContact CG1-CB 4.01Å; V197-D199 PolarHBondContact O-N 2.74Å; D199-R203 VanDerWaalsContact CG-NH1 3.29Å; D199-R203 WeakPolarHBondContact O-CB 3.27Å; D199-R203 WeakPolarHBondContact O-CD 3.35Å; D199-R203 WeakPolarHBondContact O-CG 3.49Å; D199-R203 PolarHBondContact O-N 2.8Å; D199-R203 PolarHBondContact O-NE 2.84Å; D199-R203 IonicContact OD1-CZ 3.54Å; D199-R203 IonicContact OD1-NH2 3.04Å; D199-R203 PolarHBondContact OD1-NH2 3.05Å; D199-R203 IonicContact OD2-CZ 3.04Å; D199-R203 IonicContact OD2-NH1 2.85Å; D199-R203 PolarHBondContact OD2-NH1 2.89Å; D199-R203 IonicContact OD2-NH2 2.69Å; D199-R203 PolarHBondContact OD2-NH2 3.27Å
200L96.1Very high94.6Very high4 Ų448 Ų482%0.02124%0.242CC..Hα-helixtrans-82.5-33.2176.9-80.2173.6000112.5Q91 D93 P166 V197 E198 E202 R203 N204Q91-L200 HydrophobicContact CG-CD1 4.48Å; D93-L200 WeakPolarHBondContact OD1-CD1 3.29Å; P166-L200 HydrophobicContact CB-CB 3.7Å; P166-L200 WeakPolarHBondContact CB-O 3.23Å; V197-L200 HydrophobicContact CB-CB 4.17Å; V197-L200 HydrophobicContact CB-CD1 4.07Å; V197-L200 HydrophobicContact CB-CG 4.36Å; V197-L200 HydrophobicContact CG1-CB 4.37Å; V197-L200 HydrophobicContact CG1-CD1 4.34Å; V197-L200 HydrophobicContact CG1-CG 4.29Å; V197-L200 WeakPolarHBondContact O-CA 3.42Å; V197-L200 WeakPolarHBondContact O-CB 3.45Å; V197-L200 PolarHBondContact O-N 3.36Å; E198-L200 VanDerWaalsContact C-N 3.26Å; E198-L200 PolarHBondContact O-N 2.73Å; L200-E202 VanDerWaalsContact C-N 3.26Å; L200-E202 PolarHBondContact O-N 2.8Å; L200-R203 PolarHBondContact O-N 3.05Å; L200-N204 WeakPolarHBondContact O-CB 3.41Å; L200-N204 PolarHBondContact O-N 2.91Å
201V95.2Very high94.4Very high30 Ų3047.4 Ų47.418%0.18224%0.239CC..Hα-helixtrans-58.5-42.5176.4171.60000109.9E196 V197 E198 T205E196-V201 HydrophobicContact CB-CG2 4.28Å; V197-V201 WeakPolarHBondContact O-CG2 3.28Å; V197-V201 PolarHBondContact O-N 3.37Å; E198-V201 WeakPolarHBondContact O-CB 3.48Å; E198-V201 PolarHBondContact O-N 3.1Å; V201-T205 WeakPolarHBondContact O-CG2 3.37Å; V201-T205 PolarHBondContact O-N 3.07Å
202E92.6Very high94.3Very high102 Ų10248.8 Ų48.848%0.47724%0.241SC..Hα-helixtrans-68-48.3175.5-66.9-163.3-171.700113.2E198 L200 R208 Q221E198-E202 PolarHBondContact O-N 2.88Å; E198-E202 VanDerWaalsContact O-N 3.13Å; L200-E202 VanDerWaalsContact C-N 3.26Å; L200-E202 PolarHBondContact O-N 2.8Å; E202-R208 VanDerWaalsContact O-CD 3.32Å; E202-R208 WeakPolarHBondContact O-CD 3.44Å; E202-R208 PolarHBondContact O-NE 2.83Å; E202-Q221 PolarHBondContact OE2-NE2 3.14Å
203R92.9Very high94.2Very high121 Ų12149.6 Ų49.646%0.45725%0.249SC..Hα-helixtrans-71.2-30.8-173.6-69.7169.1-168.7145.810.2113.9D199 L200 R208 R212D199-R203 VanDerWaalsContact CG-NH1 3.29Å; D199-R203 WeakPolarHBondContact O-CB 3.27Å; D199-R203 WeakPolarHBondContact O-CD 3.35Å; D199-R203 WeakPolarHBondContact O-CG 3.49Å; D199-R203 PolarHBondContact O-N 2.8Å; D199-R203 PolarHBondContact O-NE 2.84Å; D199-R203 IonicContact OD1-CZ 3.54Å; D199-R203 IonicContact OD1-NH2 3.04Å; D199-R203 PolarHBondContact OD1-NH2 3.05Å; D199-R203 IonicContact OD2-CZ 3.04Å; D199-R203 IonicContact OD2-NH1 2.85Å; D199-R203 PolarHBondContact OD2-NH1 2.89Å; D199-R203 IonicContact OD2-NH2 2.69Å; D199-R203 PolarHBondContact OD2-NH2 3.27Å; L200-R203 PolarHBondContact O-N 3.05Å; R203-R208 WeakPolarHBondContact O-CD 3.39Å; R203-R212 PolarHBondContact O-NH2 2.74Å
204N94.3Very high94.1Very high18 Ų1850.8 Ų50.810%0.09626%0.255CS..THydrogen-bonded Turntrans-122.735.6-172.7-66.6-22.5000112.5D93 P166 L200 V209 R212D93-N204 PolarHBondContact O-ND2 3.44Å; P166-N204 HydrophobicContact CB-CB 4.26Å; P166-N204 HydrophobicContact CG-CB 4.12Å; L200-N204 WeakPolarHBondContact O-CB 3.41Å; L200-N204 PolarHBondContact O-N 2.91Å; N204-V209 HydrophobicContact CB-CG2 4.09Å; N204-R212 PolarHBondContact OD1-NH1 2.76Å
205T92.1Very high93.9Very high54 Ų5453 Ų5333%0.33128%0.278SS..  trans-55.1149162.858.10000111.2V201 G207 R208 V209V201-T205 WeakPolarHBondContact O-CG2 3.37Å; V201-T205 PolarHBondContact O-N 3.07Å; T205-G207 PolarHBondContact O-N 3.29Å; T205-G207 VanDerWaalsContact O-N 3.14Å; T205-R208 WeakPolarHBondContact O-CB 3.38Å; T205-R208 PolarHBondContact O-N 2.89Å; T205-R208 WeakPolarHBondContact OG1-CG 3.48Å; T205-V209 PolarHBondContact O-N 2.98Å
206Q90.4Very high93.7Very high61 Ų6155.2 Ų55.229%0.28529%0.285SS..Hα-helixtrans-52.4-40.9-177-169.567.415.500112.8V209 L210Q206-V209 PolarHBondContact O-N 3.32Å; Q206-L210 HydrophobicContact CG-CD1 3.86Å; Q206-L210 HydrophobicContact CG-CG 4.4Å; Q206-L210 WeakPolarHBondContact O-CB 3.49Å; Q206-L210 VanDerWaalsContact O-CG 3.23Å; Q206-L210 WeakPolarHBondContact O-CG 3.47Å; Q206-L210 PolarHBondContact O-N 2.95Å
207G91.4Very high93.3Very high0 Ų057.6 Ų57.60%031%0.306CS..Hα-helixtrans-63.2-40.4176.200000113.8T205 C211T205-G207 PolarHBondContact O-N 3.29Å; T205-G207 VanDerWaalsContact O-N 3.14Å; G207-C211 WeakPolarHBondContact O-CB 3.5Å; G207-C211 PolarHBondContact O-N 3.14Å
208R93.2Very high92.7Very high37 Ų3760.1 Ų60.114%0.1432%0.317CS..Hα-helixtrans-65.8-48.3174.2-73.4-175.1-176.3-61.1-17111.5E202 R203 T205 L210 C211 R212 E218 P219E202-R208 VanDerWaalsContact O-CD 3.32Å; E202-R208 WeakPolarHBondContact O-CD 3.44Å; E202-R208 PolarHBondContact O-NE 2.83Å; R203-R208 WeakPolarHBondContact O-CD 3.39Å; T205-R208 WeakPolarHBondContact O-CB 3.38Å; T205-R208 PolarHBondContact O-N 2.89Å; T205-R208 WeakPolarHBondContact OG1-CG 3.48Å; R208-L210 VanDerWaalsContact C-N 3.35Å; R208-L210 PolarHBondContact O-N 3.47Å; R208-C211 PolarHBondContact O-N 3.44Å; R208-R212 VanDerWaalsContact O-CB 3.27Å; R208-R212 WeakPolarHBondContact O-CB 3.37Å; R208-R212 PolarHBondContact O-N 2.98Å; R208-E218 VanDerWaalsContact CD-OE2 3.23Å; R208-E218 WeakPolarHBondContact CD-OE2 3.13Å; R208-E218 HydrophobicContact CG-CG 4.49Å; R208-E218 VanDerWaalsContact CG-OE2 3.29Å; R208-E218 WeakPolarHBondContact CG-OE2 3.34Å; R208-E218 IonicContact CZ-OE2 3.23Å; R208-E218 IonicContact NE-OE2 2.74Å; R208-E218 IonicContact NH1-OE2 2.76Å; R208-E218 PolarHBondContact NH1-OE2 3.27Å; R208-P219 PolarHBondContact NH1-O 3.2Å; R208-P219 PolarHBondContact NH2-O 3.37Å
209V93.8Very high91.5Very high9 Ų955.4 Ų55.46%0.05530%0.3CS..Hα-helixtrans-56.5-49.6178.4175.80000110.3L96 N204 T205 Q206 R212 T213L96-V209 HydrophobicContact CB-CG1 4.44Å; N204-V209 HydrophobicContact CB-CG2 4.09Å; T205-V209 PolarHBondContact O-N 2.98Å; Q206-V209 PolarHBondContact O-N 3.32Å; V209-R212 PolarHBondContact O-N 3.43Å; V209-T213 PolarHBondContact O-N 2.85Å; V209-T213 PolarHBondContact O-OG1 2.87Å; V209-T213 VanDerWaalsContact O-OG1 3.05Å
210L93.3Very high89.9Confident1 Ų160 Ų601%0.00532%0.319CS..Hα-helixtrans-65.1-42.7178.9-69.5170.6000113.2L96 A102 Q105 L106 W109 Q206 R208 R212 T213 L214L96-L210 HydrophobicContact CD1-CD2 3.52Å; A102-L210 HydrophobicContact CB-CD2 3.89Å; Q105-L210 HydrophobicContact CB-CD1 3.85Å; Q105-L210 HydrophobicContact CB-CD2 3.82Å; L106-L210 HydrophobicContact CB-CB 4.2Å; L106-L210 HydrophobicContact CB-CD1 4.25Å; L106-L210 HydrophobicContact CD1-CB 4.07Å; L106-L210 HydrophobicContact CD1-CD1 4.46Å; W109-L210 HydrophobicContact CB-CD1 4.42Å; Q206-L210 HydrophobicContact CG-CD1 3.86Å; Q206-L210 HydrophobicContact CG-CG 4.4Å; Q206-L210 WeakPolarHBondContact O-CB 3.49Å; Q206-L210 VanDerWaalsContact O-CG 3.23Å; Q206-L210 WeakPolarHBondContact O-CG 3.47Å; Q206-L210 PolarHBondContact O-N 2.95Å; R208-L210 VanDerWaalsContact C-N 3.35Å; R208-L210 PolarHBondContact O-N 3.47Å; L210-R212 VanDerWaalsContact C-N 3.34Å; L210-R212 PolarHBondContact O-N 2.79Å; L210-T213 PolarHBondContact O-N 2.92Å; L210-L214 WeakPolarHBondContact O-CB 3.34Å; L210-L214 WeakPolarHBondContact O-CD1 3.49Å; L210-L214 VanDerWaalsContact O-CG 3.29Å; L210-L214 WeakPolarHBondContact O-CG 3.31Å; L210-L214 PolarHBondContact O-N 3.07Å; L210-L214 VanDerWaalsContact O-N 3.1Å
211C93.3Very high87.8Confident2 Ų265.3 Ų65.31%0.01434%0.344CS..Hα-helixtrans-58.7-45.8173.1-85.10000111.5G207 R208 L214 G215 L216 P217 E218G207-C211 WeakPolarHBondContact O-CB 3.5Å; G207-C211 PolarHBondContact O-N 3.14Å; R208-C211 PolarHBondContact O-N 3.44Å; C211-L214 CarbonylContact O-C 3.48Å; C211-L214 PolarHBondContact O-N 2.79Å; C211-L214 VanDerWaalsContact O-N 3.12Å; C211-G215 PolarHBondContact O-N 3.03Å; C211-L216 HydrophobicContact CB-CB 4.14Å; C211-L216 PolarHBondContact O-N 3.49Å; C211-P217 PolarHBondContact SG-O 3.29Å; C211-E218 HydrophobicContact CB-CG 4.4Å
212R94Very high85.3Confident119 Ų11972.9 Ų72.945%0.44938%0.377SS..Hα-helixtrans-62.2-43.7179.9-164.9-178.5-58.8150.77.1111.8R203 N204 R208 V209 L210 L214 G215 E218R203-R212 PolarHBondContact O-NH2 2.74Å; N204-R212 PolarHBondContact OD1-NH1 2.76Å; R208-R212 VanDerWaalsContact O-CB 3.27Å; R208-R212 WeakPolarHBondContact O-CB 3.37Å; R208-R212 PolarHBondContact O-N 2.98Å; V209-R212 PolarHBondContact O-N 3.43Å; L210-R212 VanDerWaalsContact C-N 3.34Å; L210-R212 PolarHBondContact O-N 2.79Å; R212-L214 VanDerWaalsContact C-N 3.26Å; R212-L214 PolarHBondContact O-N 2.79Å; R212-G215 PolarHBondContact O-N 2.9Å; R212-E218 IonicContact CZ-OE1 2.8Å; R212-E218 IonicContact NE-OE1 3.55Å; R212-E218 PolarHBondContact NE-OE1 2.92Å; R212-E218 IonicContact NH2-OE1 3.87Å; R212-E218 PolarHBondContact NH2-OE1 3.12Å; R212-E218 IonicContact NH2-OE2 3.58Å
213T93.6Very high82.6Confident80 Ų8075.9 Ų75.949%0.49139%0.391SS..Hα-helixtrans-60.9-32.5173.3-61.60000112.9L96 A102 V209 L210L96-T213 HydrophobicContact CD2-CG2 4.07Å; A102-T213 HydrophobicContact CB-CG2 3.99Å; V209-T213 PolarHBondContact O-N 2.85Å; V209-T213 PolarHBondContact O-OG1 2.87Å; V209-T213 VanDerWaalsContact O-OG1 3.05Å; L210-T213 PolarHBondContact O-N 2.92Å
214L92.6Very high80Confident62 Ų6277 Ų7733%0.32541%0.406SS..THydrogen-bonded Turntrans-91.5-1.4-179.6-67.1166.3000114.1A102 Y103 L106 L210 C211 R212 L216A102-L214 HydrophobicContact CB-CD1 4.45Å; A102-L214 HydrophobicContact CB-CD2 4.05Å; A102-L214 HydrophobicContact CB-CG 4.13Å; Y103-L214 HydrophobicContact CD2-CD1 4.41Å; L106-L214 HydrophobicContact CB-CD1 4.19Å; L106-L214 HydrophobicContact CD2-CD1 3.6Å; L210-L214 WeakPolarHBondContact O-CB 3.34Å; L210-L214 WeakPolarHBondContact O-CD1 3.49Å; L210-L214 VanDerWaalsContact O-CG 3.29Å; L210-L214 WeakPolarHBondContact O-CG 3.31Å; L210-L214 PolarHBondContact O-N 3.07Å; L210-L214 VanDerWaalsContact O-N 3.1Å; C211-L214 CarbonylContact O-C 3.48Å; C211-L214 PolarHBondContact O-N 2.79Å; C211-L214 VanDerWaalsContact O-N 3.12Å; R212-L214 VanDerWaalsContact C-N 3.26Å; R212-L214 PolarHBondContact O-N 2.79Å; L214-L216 HydrophobicContact CB-CD1 3.89Å; L214-L216 HydrophobicContact CB-CG 3.84Å; L214-L216 HydrophobicContact CD1-CD1 3.98Å; L214-L216 PolarHBondContact O-N 2.98Å
215G92.3Very high77.3Confident71 Ų7185.3 Ų85.373%0.73245%0.445SS*.THydrogen-bonded Turntrans66.320.7-173.900000114.1C211 R212C211-G215 PolarHBondContact O-N 3.03Å; R212-G215 PolarHBondContact O-N 2.9Å
216L90.8Very high74.6Confident67 Ų6792 Ų9235%0.35147%0.472SS..PPolyproline II helixtrans-87152.9178.2-64.2175.5000110.8L106 C211 L214 E218L106-L216 HydrophobicContact CD2-CD1 3.7Å; C211-L216 HydrophobicContact CB-CB 4.14Å; C211-L216 PolarHBondContact O-N 3.49Å; L214-L216 HydrophobicContact CB-CD1 3.89Å; L214-L216 HydrophobicContact CB-CG 3.84Å; L214-L216 HydrophobicContact CD1-CD1 3.98Å; L214-L216 PolarHBondContact O-N 2.98Å; L216-E218 PolarHBondContact O-N 2.96Å
217P88.4Confident72.1Confident113 Ų11393.6 Ų93.673%0.73450%0.495SS*.PPolyproline II helixtrans-57.9134.2169.925.6-34.1000110.2C211C211-P217 PolarHBondContact SG-O 3.29Å
218E84.8Confident69.3Low64 Ų6498.6 Ų98.630%0.29953%0.531SS..PPolyproline II helixtrans-70.8146.7169.8-64.7-169-165.100110R208 C211 R212 L216 E220R208-E218 VanDerWaalsContact CD-OE2 3.23Å; R208-E218 WeakPolarHBondContact CD-OE2 3.13Å; R208-E218 HydrophobicContact CG-CG 4.49Å; R208-E218 VanDerWaalsContact CG-OE2 3.29Å; R208-E218 WeakPolarHBondContact CG-OE2 3.34Å; R208-E218 IonicContact CZ-OE2 3.23Å; R208-E218 IonicContact NE-OE2 2.74Å; R208-E218 IonicContact NH1-OE2 2.76Å; R208-E218 PolarHBondContact NH1-OE2 3.27Å; C211-E218 HydrophobicContact CB-CG 4.4Å; R212-E218 IonicContact CZ-OE1 2.8Å; R212-E218 IonicContact NE-OE1 3.55Å; R212-E218 PolarHBondContact NE-OE1 2.92Å; R212-E218 IonicContact NH2-OE1 3.87Å; R212-E218 PolarHBondContact NH2-OE1 3.12Å; R212-E218 IonicContact NH2-OE2 3.58Å; L216-E218 PolarHBondContact O-N 2.96Å; E218-E220 PolarHBondContact O-N 3.35Å
219P71.2Confident66.2Low62 Ų62105.8 Ų105.840%0.40357%0.568SS.*PPolyproline II helixtrans-63.2129.7173.726.5-33.4000110.4R208R208-P219 PolarHBondContact NH1-O 3.2Å; R208-P219 PolarHBondContact NH2-O 3.37Å
220E61.6Low63.2Low183 Ų183114.3 Ų114.386%0.85561%0.607SS**PPolyproline II helixtrans-64.7143.6170.2-63.3-178.3156.400109.4E218 Q222E218-E220 PolarHBondContact O-N 3.35Å; E220-Q222 PolarHBondContact O-N 3.49Å
221Q52Low60.5Low115 Ų115120.2 Ų120.254%0.53765%0.645SS.*  trans-69.8102.2172.6-79.2169.4-46.600108.5E202 Q223E202-Q221 PolarHBondContact OE2-NE2 3.14Å; Q221-Q223 PolarHBondContact O-N 3.43Å
222Q42.1Very low57.5Low190 Ų190132 Ų13289%0.88869%0.69SS**  trans-66102.7160.3-70.5-177.3-9.600107.3E220E220-Q222 PolarHBondContact O-N 3.49Å
223Q37.1Very low54.5Low165 Ų165135.7 Ų135.777%0.77171%0.712SS**  trans-75.1139.3169.7-66.9-179.1-20.600108.7Q221 E225Q221-Q223 PolarHBondContact O-N 3.43Å; Q223-E225 PolarHBondContact O-N 3.18Å
224D37.2Very low51.3Low145 Ų145135.8 Ų135.878%0.77573%0.729SS**  trans-69.195.5-168.8-59.1-78.7000114.1E226D224-E226 PolarHBondContact O-N 3.14Å
225E37.4Very low48.1Very low192 Ų192135.8 Ų135.890%0.89774%0.744SS**THydrogen-bonded Turntrans-80.413.8165.3-74.9-150.7139.700114Q223 A227Q223-E225 PolarHBondContact O-N 3.18Å; E225-A227 VanDerWaalsContact C-N 3.31Å
226E36.8Very low44.9Very low195 Ų195139.2 Ų139.291%0.91175%0.751SS**THydrogen-bonded Turntrans-86.26.2171.2-66.9-148.2133.900114.2D224D224-E226 PolarHBondContact O-N 3.14Å
227A37Very low41.7Very low93 Ų93141.6 Ų141.677%0.76977%0.768SS**  trans-94.822.6-173.500000116.3E225E225-A227 VanDerWaalsContact C-N 3.31Å
228S32.1Very low38.8Very low106 Ų106147 Ų14774%0.74177%0.774SS**  trans-135.233-174.273.60000118.4
229M28.2Very low35.9Very low188 Ų188149.7 Ų149.793%0.92679%0.794SS**  trans-115.785.5170.2-83.2-70.4-144.400113.2
230Q31.6Very low33.7Very low188 Ų188155.6 Ų155.688%0.87981%0.814SS**  trans-100.4137.9163.6-74.9-163.87.200111.5
231P37.3Very low32.2Very low124 Ų124155.5 Ų155.581%0.80581%0.814SS**  trans-79.7137.8-172.631.6-35.4000112.8
232R28.7Very low30.9Very low250 Ų250156.9 Ų156.994%0.94383%0.825SS**  trans-133.3140160.9-73.1-164.3170.4-160.8-3.1111.8
233Q30.8Very low30.1Very low196 Ų196153.4 Ų153.492%0.91681%0.812SS**  trans-96.9143.1-169.7-62.6170.8-18.500111.7
234G27.7Very low29.7Very low83 Ų83153.7 Ų153.786%0.85681%0.814SS**  trans76.7143.3167.700000115.1
235G25.8Very low29.2Very low62 Ų62150.7 Ų150.764%0.63981%0.809SS**  cis150.5152.5-2.900000111.8
236T25.1Very low28.7Very low143 Ų143147.3 Ų147.388%0.87780%0.801SS**  trans74.5134.1-179.470.50000115.9
237T23.7Very low28.4Very low116 Ų116146.2 Ų146.271%0.71280%0.796SS**  cis-149.6133.5-6.7-940000112.1
238R26.3Very low28.2Very low227 Ų227148.8 Ų148.886%0.85780%0.797SS**  trans11.6148.6148.5-51.7174170171.2-6.7120.1
239V24.9Very low28.3Very low120 Ų120151.3 Ų151.373%0.72780%0.801SS**  -166127110.3140.40000110.8
240F25.4Very low29Very low186 Ų186151.8 Ų151.882%0.81680%0.801SS**SBendtrans54.9140175.9-55-48.6000118.6
241E28.5Very low29.2Very low182 Ų182148.8 Ų148.885%0.8580%0.795SS**  cis-136.3144.86.8-130.8158.8-175.200112.1
242D24.3Very low29.3Very low144 Ų144148.1 Ų148.177%0.7779%0.785SS**  trans-90.6161179.5-77.6-41.1000110.2
243N26.4Very low29.8Very low116 Ų116142.3 Ų142.362%0.6277%0.773SS**  cis-157.6166.9-11-121.1-40.3000112.6
244Q28.1Very low30.9Very low171 Ų171135.4 Ų135.480%0.79975%0.749SS**  trans-19.1161.1144.2-66.2172.9-1400118.1
245A26.8Very low32Very low82 Ų82139.7 Ų139.768%0.67875%0.747SS**  cis178165.3-16.400000107.4
246V27.5Very low32.8Very low121 Ų121143 Ų14373%0.73375%0.749SS**  trans-177.9151.2133.4-900000112.5
247E30.3Very low33.5Very low172 Ų172142.1 Ų142.180%0.80474%0.739SS**  trans68.5157.1139-74153.6-164.800122.7
248D31.7Very low34.3Very low148 Ų148140.9 Ų140.979%0.79174%0.74SS**  trans-61.2148-177.8-56-71.5000113.3
249L35Very low35Very low159 Ų159134.7 Ų134.783%0.83273%0.732SS**  trans-135.7109.7151.9-76.2179.6000110V251L249-V251 HydrophobicContact CB-CG2 4.16Å; L249-V251 PolarHBondContact O-N 2.82Å
250E42.4Very low35.7Very low198 Ų198135.5 Ų135.593%0.92573%0.731SS**  trans-64.9116.9163-58.4169.6129.800108.7
251V35.9Very low36Very low124 Ų124136 Ų13675%0.75274%0.736SS**  trans-153.4130.6175.6-169.80000108.7L249L249-V251 HydrophobicContact CB-CG2 4.16Å; L249-V251 PolarHBondContact O-N 2.82Å
252D39.7Very low36.3Very low110 Ų110136.5 Ų136.559%0.58874%0.738SS**  cis-158.3124.5-24.6176.9-3.5000105.6A254 E255D252-A254 PolarHBondContact O-N 3.29Å; D252-A254 WeakPolarHBondContact OD1-CB 3.41Å; D252-A254 PolarHBondContact OD1-N 3.1Å; D252-E255 PolarHBondContact O-N 2.69Å
253D39.9Very low36.7Very low129 Ų129139.3 Ų139.369%0.6975%0.746SS**THydrogen-bonded Turntrans-63.5-12.2-178.4-73.1-45.1000113E255 L256 L257D253-E255 VanDerWaalsContact C-N 3.3Å; D253-E255 PolarHBondContact O-N 2.79Å; D253-L256 PolarHBondContact O-N 3.15Å; D253-L256 VanDerWaalsContact O-N 3.14Å; D253-L257 PolarHBondContact O-N 3.4Å; D253-L257 VanDerWaalsContact O-N 3.11Å
254A53.8Low36.8Very low50 Ų50139.4 Ų139.441%0.41376%0.756SS.*Hα-helixtrans-58.3-33.4174.300000114.2D252 L256 A258D252-A254 PolarHBondContact O-N 3.29Å; D252-A254 WeakPolarHBondContact OD1-CB 3.41Å; D252-A254 PolarHBondContact OD1-N 3.1Å; A254-L256 VanDerWaalsContact C-N 3.32Å; A254-A258 PolarHBondContact O-N 3.01Å
255E50.7Low37Very low174 Ų174140.6 Ų140.681%0.81376%0.762SS**Hα-helixtrans-73.7-27177.7-166.9168.9-130.900111.8D252 D253D252-E255 PolarHBondContact O-N 2.69Å; D253-E255 VanDerWaalsContact C-N 3.3Å; D253-E255 PolarHBondContact O-N 2.79Å
256L43.4Very low37.2Very low130 Ų130140.9 Ų140.968%0.68176%0.764SS**Hα-helixtrans-77-35.1177.5-144.5150.9000111.2D253 A254 A258 S259D253-L256 PolarHBondContact O-N 3.15Å; D253-L256 VanDerWaalsContact O-N 3.14Å; A254-L256 VanDerWaalsContact C-N 3.32Å; L256-A258 VanDerWaalsContact C-N 3.33Å; L256-S259 PolarHBondContact O-OG 2.91Å
257L39.2Very low37.3Very low126 Ų126144.6 Ų144.666%0.6677%0.773SS**Hα-helixtrans-67.4-28.2172.4-71169.6000113.4D253 S259 L260D253-L257 PolarHBondContact O-N 3.4Å; D253-L257 VanDerWaalsContact O-N 3.11Å; L257-S259 PolarHBondContact O-N 3.35Å; L257-L260 PolarHBondContact O-N 3.05Å
258A40.3Very low37.3Very low90 Ų90142.6 Ų142.674%0.74477%0.773SS**THydrogen-bonded Turntrans-67.64.3-178.400000115.5A254 L256A254-A258 PolarHBondContact O-N 3.01Å; L256-A258 VanDerWaalsContact C-N 3.33Å
259S40.1Very low37.2Very low97 Ų97142.8 Ų142.868%0.67877%0.773SS**THydrogen-bonded Turntrans-108.70.8177.564.40000114.3L256 L257L256-S259 PolarHBondContact O-OG 2.91Å; L257-S259 PolarHBondContact O-N 3.35Å
260L40.4Very low36.9Very low137 Ų137143.3 Ų143.372%0.71777%0.771SS**SBendtrans-128130.4175.6-68.4171.1000110.2L257L257-L260 PolarHBondContact O-N 3.05Å
261E31.6Very low36.2Very low197 Ų197140.4 Ų140.492%0.92177%0.767SS**  trans67.883.8179-54.3-167156.900117.7
262E35.8Very low35.7Very low192 Ų192143 Ų14390%0.89777%0.77SS**  trans-149.787.7137.5-145.2177.9-123.900113.6
263H31.8Very low36Very low202 Ų202142.6 Ų142.694%0.93577%0.774SS**  trans-156.171.6162.2-102.4-6.4000111.4
264S28.2Very low35.3Very low119 Ų119141.7 Ų141.783%0.83278%0.778SS**  trans-14976.9169.766.20000113.6
265E31.8Very low34.4Very low195 Ų195150 Ų15091%0.91180%0.799SS**  trans-131.6147.1156.2-73-161.414300108.7
266A31.5Very low33.4Very low88 Ų88148.5 Ų148.573%0.72780%0.796SS**  cis-166.3147.6-23.600000107.8
267E29.8Very low32.9Very low199 Ų199147.5 Ų147.593%0.9380%0.8SS**  trans-167.2159.1132.3-115-173.2155.900111.7
268V30.3Very low32.4Very low130 Ų130144.1 Ų144.179%0.78880%0.795SS**  trans-121.9132.1-170171.90000110
269L28.9Very low32Very low153 Ų153150.5 Ų150.580%0.80180%0.802SS**  trans-166.3104.7142.8-107.5166.7000114.5
270Q29.8Very low31.5Very low169 Ų169149 Ų14979%0.7980%0.802SS**  trans57.1126.5140.8-86.8-172.8200124.3
271V27.7Very low31.6Very low138 Ų138149.2 Ų149.284%0.83681%0.809SS**  trans99.9125144.3176.50000119.4
272Q26Very low31.5Very low177 Ų177146.4 Ų146.483%0.82781%0.805SS**  trans-68178.7177.5-93.8-174.9-11.900115.6
273P44.3Very low31.2Very low103 Ų103145.7 Ų145.767%0.66980%0.801SS**  cis-139.1170.9-23.935-17.9000114.4
274S26.5Very low31Very low109 Ų109144.6 Ų144.676%0.76280%0.797SS**  172.4128.1109.944.50000116.1
275R34.7Very low30.9Very low225 Ų225144.6 Ų144.685%0.84979%0.792SS**  trans56.9109.4144.9-72.1-176.3169.6155.20.4119.1
276D28.9Very low30.6Very low142 Ų142140.3 Ų140.376%0.75978%0.783SS**  79.3110.685.1-84.1-43.7000111.8
277S33.5Very low30.4Very low110 Ų110142.1 Ų142.177%0.76979%0.785SS**  93.9139.574.5-174.50000110.8
278G28.7Very low30.6Very low54 Ų54140.9 Ų140.956%0.55779%0.785SS**  cis172.2-157.73.100000110.5
279Y32.5Very low30.6Very low225 Ų225139.7 Ų139.788%0.88278%0.782SS**  trans70.3133.4-179.1-57.6-87.4000116.1
280G29.5Very low30.6Very low66 Ų66137 Ų13768%0.6878%0.776SS**  cis109.6110.5-5.100000113.9
281T41.7Very low30.6Very low141 Ų141135.1 Ų135.187%0.86578%0.776SS**  trans-85.5147.7-177.4-52.60000112.4
282V28.9Very low30.6Very low137 Ų137134.9 Ų134.983%0.8377%0.774SS**  trans-134.5147.9167.4-174.30000109.5
283Q30.6Very low30.8Very low177 Ų177130 Ų13083%0.82777%0.771SS**  trans-95.7163.8-179-60.1164.6-47.400111.9
284E26.3Very low29.9Very low180 Ų180131.6 Ų131.684%0.84177%0.774SS**  trans161.4103.7141.9-91.3-179.1-177.300108.9
285T26.6Very low30.2Very low118 Ų118134.1 Ų134.172%0.72478%0.777SS**  72.61258859.90000117.5
286S26.8Very low30Very low105 Ų105129.9 Ų129.973%0.73478%0.776SS**  trans89.2121.7145.1-58.90000122.5
287T27.2Very low30Very low126 Ų126127.2 Ų127.277%0.77377%0.769SS**  trans63.898.1138.456.30000122.4
288L33.6Very low29.6Very low174 Ų174130.2 Ų130.291%0.91177%0.768SS**  40.6123.3122.8-60.3175.1000121.9
289S28.8Very low29.7Very low105 Ų105137 Ų13773%0.73478%0.777SS**  trans94.793139.8-148.20000121.7
290S29.4Very low29.6Very low97 Ų97130.4 Ų130.468%0.67876%0.764SS**  86.2148.8115.972.40000124.1
291V30Very low29.7Very low129 Ų129134.8 Ų134.878%0.78277%0.766SS**  trans88137155-137.30000121.3
292V28.1Very low29Very low133 Ų133133.4 Ų133.481%0.80676%0.758SS**  trans82.1131162.9-162.70000118.4
293G29.1Very low29Very low73 Ų73132.1 Ų132.175%0.75376%0.755SS**  trans170.361.2176.400000115.1
294D27.2Very low28.9Very low138 Ų138128.9 Ų128.974%0.73875%0.752SS**  trans-60.2158.6172.2-62.7-81.1000112.4
295I32.3Very low30Very low162 Ų162125.4 Ų125.483%0.83175%0.745SS**  cis-156.5164.447.9-120.3121000111.7
296V29Very low29.9Very low136 Ų136129.3 Ų129.382%0.82475%0.753SS**  trans-136.5161.1-173.4-1620000113
297S29.5Very low29.9Very low86 Ų86132.6 Ų132.660%0.60176%0.756SS**  trans81.3154.6167-141.40000115.4
298F26.6Very low29.9Very low173 Ų173137.6 Ų137.676%0.75976%0.76SS**  cis-152.916925-93.4-70.1000108.5
299R30.4Very low29.6Very low195 Ų195134.8 Ų134.874%0.73676%0.755SS**  cis-168.2177.2-9.8-145176.8-161.3169.74.9105.3
300S30.3Very low29.5Very low87 Ų87133.7 Ų133.761%0.60876%0.761SS**  cis-150.2167.59.4-40.90000108.7
301Q31.8Very low29.4Very low158 Ų158134 Ų13474%0.73876%0.763SS**  54.8146.376.7-37.7-179.1-1.900116.1
302T27.2Very low29.3Very low113 Ų113133.7 Ų133.769%0.69376%0.761SS**  cis-149.3166.225.656.80000116.3
303S27.4Very low29.4Very low109 Ų109135 Ų13576%0.76276%0.759SS**  trans63.1127.6137.162.60000124.5
304S29.7Very low29.3Very low110 Ų110137.2 Ų137.277%0.76976%0.758SS**  trans-96.8-172.8146.463.20000110
305P49.3Very low29.4Very low107 Ų107138.3 Ų138.370%0.69576%0.764SS**  cis-130.4-176.6-8.243.4-28.6000114.1
306F24.2Very low29.2Very low200 Ų200142.1 Ų142.188%0.87777%0.768SS**  trans-171.4170140.3-106.3-64000113.5
307H27Very low29.1Very low174 Ų174139.5 Ų139.581%0.80677%0.768SS**  trans-82.8-177.8-179.2-56.1-85.6000112.1
308R26.4Very low29.1Very low230 Ų230138.5 Ų138.587%0.86877%0.772SS**  cis-165.7141.323.1-163.6170.9-176.8-138.41.4114.9
309S27.2Very low29.4Very low115 Ų115138.5 Ų138.580%0.80477%0.774SS**  trans42.9129.9151.2-59.70000123.5
310G26.3Very low29.5Very low82 Ų82136.6 Ų136.685%0.84577%0.774SS**  trans-157.212714800000109.1
311S27.6Very low29.8Very low105 Ų105139.2 Ų139.273%0.73478%0.781SS**  trans-151.7163.3-171.1-172.70000111.4
312T28.2Very low29.9Very low121 Ų121139.7 Ų139.774%0.74279%0.788SS**  trans62.3149.9167.642.70000117.3
313Q30Very low30.6Very low161 Ų161143.5 Ų143.575%0.75280%0.801SS**  cis-167.8168.1-26.8-140.2179.9-14.600108.3
314T28.4Very low31Very low119 Ų119143 Ų14373%0.7380%0.803SS**  trans49.3128.4154.5560000121.3
315N27.9Very low31.2Very low162 Ų162144.7 Ų144.787%0.86680%0.804SS**  -155.4174.7108.4-141.7-16.3000113.3
316R29.6Very low30.5Very low241 Ų241146.5 Ų146.591%0.90981%0.808SS**  trans-112.9160.6-176.7-66.3167.8157.8178.2-8.4112.9
317G27.1Very low30.9Very low81 Ų81145.4 Ų145.484%0.83581%0.805SS**  trans142.1140.9142.600000118.1
318G28.6Very low31.2Very low66 Ų66146.9 Ų146.968%0.6881%0.809SS**  trans90.9125176.400000113.3
319Q32.9Very low31.8Very low172 Ų172140.1 Ų140.180%0.80480%0.796SS**  6813255.7-68.2169.8-97.400112.3
320E32.8Very low32.4Very low156 Ų156142.4 Ų142.473%0.72980%0.799SS**  cis-148.7-174.417.6-136.4145.4-122.800113.2
321D36Very low32.9Very low142 Ų142146 Ų14676%0.75979%0.793SS**  trans-68.4155.9-165.4-55.6-70000117
322N33.5Very low33.4Very low167 Ų167148.3 Ų148.389%0.89380%0.798SS**  -167.2138.6125.1-102.2-59.6000112.3
323M42Very low33.9Very low194 Ų194148.8 Ų148.896%0.95679%0.79SS**  trans-100.5129.8166-84.6-177.9162.500109.8
324A36.2Very low34.1Very low99 Ų99145.9 Ų145.982%0.81879%0.785SS**  trans-146.3149157.300000108.4
325N33.7Very low34.7Very low145 Ų145143.1 Ų143.178%0.77577%0.765SS**  trans-86.8172.6179.1-87.65.5000111.8
326D34.5Very low35.2Very low145 Ų145141.4 Ų141.478%0.77576%0.756SS**  trans70.8146.4160.9-46.6-44.5000114.9
327E33Very low35.7Very low177 Ų177138 Ų13883%0.82775%0.75SS**  cis-142124.46.9-157.8165.9-170.800108.8
328F32.8Very low36.4Very low204 Ų204137.7 Ų137.790%0.89573%0.729SS**  trans-96.7129.1169.4-88.8-87.5000108.3
329P39.5Very low36.8Very low89 Ų89140.1 Ų140.158%0.57873%0.727SS**  trans-64153.6175.428.5-34.6000110.9E331P329-E331 PolarHBondContact O-N 3.12Å
330D39.6Very low36.8Very low162 Ų162135.4 Ų135.487%0.86671%0.713SS**  trans-68.681.9170.4-85.4-52.6000109.9
331E36.8Very low37Very low157 Ų157132.3 Ų132.373%0.73470%0.704SS**  trans-55.9141.2168.2-71.6-75.4138.900110.7P329P329-E331 PolarHBondContact O-N 3.12Å
332D38.3Very low37.2Very low154 Ų154131.3 Ų131.382%0.82470%0.698SS**  trans-54.1140.7-171.2-82.5-70000113.9P334D332-P334 WeakPolarHBondContact O-CD 3.44Å
333F39.1Very low37.3Very low132 Ų132131 Ų13158%0.57970%0.695SS**  trans-71.1115.5165.3-80.9-99000109.7L335F333-L335 HydrophobicContact CB-CD2 3.83Å; F333-L335 PolarHBondContact O-N 3.45Å
334P34.9Very low37Very low100 Ų100130 Ų13065%0.64969%0.688SS**  trans-66.2116.4163.428.9-32.5000107.8D332 D336D332-P334 WeakPolarHBondContact O-CD 3.44Å; P334-D336 VanDerWaalsContact C-N 3.27Å
335L39.7Very low36.7Very low60 Ų60133 Ų13331%0.31469%0.685SS.*  trans-94.118.1177-57.7-171.1000111.9F333 E337 L338 K530F333-L335 HydrophobicContact CB-CD2 3.83Å; F333-L335 PolarHBondContact O-N 3.45Å; L335-E337 PolarHBondContact O-N 2.98Å; L335-E337 VanDerWaalsContact O-N 3.1Å; L335-L338 HydrophobicContact CB-CD1 4.05Å; L335-L338 HydrophobicContact CD1-CD1 4.17Å; L335-L338 HydrophobicContact CD2-CD1 3.98Å; L335-L338 HydrophobicContact CG-CD1 4.29Å; L335-L338 WeakPolarHBondContact O-CB 3.38Å; L335-L338 PolarHBondContact O-N 3.3Å; L335-K530 HydrophobicContact CD1-CD 3.66Å; L335-K530 HydrophobicContact CD1-CG 4.17Å
336D38.1Very low36.7Very low126 Ų126132.4 Ų132.467%0.67469%0.692SS**Hα-helixtrans-65.1-16.8-174.6-49.8-32.7000112.7P334 S340P334-D336 VanDerWaalsContact C-N 3.27Å; D336-S340 PolarHBondContact O-OG 3.1Å
337E40.9Very low36.8Very low169 Ų169128.8 Ų128.879%0.7969%0.69SS**Hα-helixtrans-81.4-17.5171.7-66.4-169.514400113.9L335 S340L335-E337 PolarHBondContact O-N 2.98Å; L335-E337 VanDerWaalsContact O-N 3.1Å; E337-S340 PolarHBondContact O-N 2.79Å
338L42.6Very low36.5Very low75 Ų75128.2 Ų128.239%0.39369%0.692SS.*Hα-helixtrans-72.8-33.8-178-101.5148.5000113.3L335L335-L338 HydrophobicContact CB-CD1 4.05Å; L335-L338 HydrophobicContact CD1-CD1 4.17Å; L335-L338 HydrophobicContact CD2-CD1 3.98Å; L335-L338 HydrophobicContact CG-CD1 4.29Å; L335-L338 WeakPolarHBondContact O-CB 3.38Å; L335-L338 PolarHBondContact O-N 3.3Å
339D36.1Very low36.5Very low117 Ų117124.6 Ų124.663%0.62669%0.687SS**Hα-helixtrans-79.2-24.3173.9-69.4-26.3000112.1V341 I342D339-V341 VanDerWaalsContact C-N 3.33Å; D339-V341 PolarHBondContact O-N 3.11Å; D339-I342 PolarHBondContact O-N 2.97Å
340S33.8Very low36.1Very low73 Ų73127.9 Ų127.951%0.5170%0.699SS.*Hα-helixtrans-66.4-31.4-173.6-680000113.5D336 E337D336-S340 PolarHBondContact O-OG 3.1Å; E337-S340 PolarHBondContact O-N 2.79Å
341V36.4Very low35.5Very low92 Ų92127.6 Ų127.656%0.55870%0.698SS**G310 helixtrans-77.5-21.6-176.3-1700000112.6D339 L343 Q344D339-V341 VanDerWaalsContact C-N 3.33Å; D339-V341 PolarHBondContact O-N 3.11Å; V341-L343 PolarHBondContact O-N 2.94Å; V341-L343 VanDerWaalsContact O-N 3.14Å; V341-Q344 PolarHBondContact O-N 2.8Å
342I39.8Very low35.2Very low121 Ų121127 Ų12762%0.62170%0.7SS**G310 helixtrans-65.8-19.4-177-63.6177.6000112.4D339D339-I342 PolarHBondContact O-N 2.97Å
343L35.7Very low34.8Very low160 Ų160128.5 Ų128.584%0.83870%0.701SS**G310 helixtrans-121.56-177.2-66.6176.1000114.9V341V341-L343 PolarHBondContact O-N 2.94Å; V341-L343 VanDerWaalsContact O-N 3.14Å
344Q35.2Very low34.3Very low173 Ų173133.5 Ų133.581%0.80872%0.716SS**  trans-146.348.6-166.5-14616879.700117.8V341V341-Q344 PolarHBondContact O-N 2.8Å
345E30.6Very low33.8Very low163 Ų163133.5 Ų133.576%0.76272%0.719SS**  trans-145.694152.3-144168.8-147.400114.3
346S32.3Very low33.3Very low131 Ų131137.3 Ų137.392%0.91674%0.744SS**SBendtrans-16246.8166.3-78.70000110
347G37.6Very low32.8Very low70 Ų70139.6 Ų139.672%0.72275%0.751SS**  trans-168.746-164.300000116.5
348N26.7Very low32.2Very low165 Ų165140.7 Ų140.788%0.88276%0.756SS**  trans-136.3113.9159.5-102.7-27.2000109.9
349V32.8Very low31.4Very low128 Ų128143.8 Ų143.878%0.77677%0.773SS**  trans-115.5132.3165.4174.70000105.8N351V349-N351 PolarHBondContact O-N 2.94Å
350D30.5Very low31Very low157 Ų157146.1 Ų146.184%0.8479%0.785SS**  trans-53.6128.3-176.8-62.4-70.9000112.4
351N27.9Very low30.6Very low157 Ų157153.1 Ų153.184%0.8480%0.8SS**  trans-144.578164.7-100.7-55.7000109.9V349 H353V349-N351 PolarHBondContact O-N 2.94Å; N351-H353 PolarHBondContact O-N 3.49Å
352D29.5Very low30.1Very low145 Ų145155.4 Ų155.478%0.77581%0.808SS**  trans-63111.9163.8-164.8-0.8000108.8
353H30.8Very low29.5Very low184 Ų184156.6 Ų156.685%0.85282%0.815SS**  trans-164.689.5156.7-96.612.2000113.2N351N351-H353 PolarHBondContact O-N 3.49Å
354R27.8Very low29.1Very low237 Ų237156.4 Ų156.489%0.89481%0.81SS**  trans17.6118.7143.6-165.1-179-164.3-179.96.1118.7
355S25.7Very low28.8Very low101 Ų101155.3 Ų155.371%0.70681%0.809SS**  trans-71.5156.1174.764.40000115.1
356T27.3Very low28.7Very low139 Ų139156.6 Ų156.685%0.85382%0.816SS**  trans-152.7136.5144-310000109.7
357H27.7Very low28.5Very low174 Ų174156.1 Ų156.181%0.80681%0.812SS**  trans-79.2148.4-178.4-63.5-101.8000112.7
358Q28.4Very low28Very low193 Ų193156 Ų15690%0.90281%0.811SS**  trans-160.4158.8133-112.7164.926.500113.3
359N26.3Very low28.1Very low140 Ų140154.9 Ų154.975%0.74981%0.81SS**  trans-88.3147.3-174.3-46-58.9000111.5
360N28.1Very low27.9Very low165 Ų165156.1 Ų156.188%0.88281%0.807SS**  -178.3172.595.4-106.8-28.8000115
361R26.1Very low27.7Very low220 Ų220158.2 Ų158.283%0.8380%0.803SS**  trans-91.9149178-83.8177171.6172.7-3.3112.9
362I26Very low27.6Very low141 Ų141155 Ų15572%0.72380%0.798SS**  trans56.7117.8137.5-59.3165.9000118
363L27.2Very low27.5Very low145 Ų145154 Ų15476%0.75980%0.798SS**  -167.8174.497.8-157.756.5000111.8
364E26.3Very low27.3Very low156 Ų156154.9 Ų154.973%0.72980%0.799SS**  trans-76.9172.2-159.6-58.8151.6123.800117.7
365N28.1Very low27.4Very low150 Ų150148.5 Ų148.580%0.80280%0.797SS**  trans-58.4151159.9-64.8-42.2000112.5
366Q29.7Very low27.4Very low191 Ų191152.7 Ų152.789%0.89381%0.805SS**  trans-158.5158.4134.7-118.615610100113.9
367S28.2Very low28Very low120 Ų120150.9 Ų150.984%0.83980%0.796SS**  trans-121.8136.8-169.656.20000112.7
368G26.5Very low27.9Very low67 Ų67148.5 Ų148.569%0.69179%0.793SS**  trans169.3104.8172.500000108.7
369V29.7Very low27.8Very low142 Ų142148.4 Ų148.486%0.86179%0.785SS**  77.2136.964.81790000112.1
370E26.9Very low27.8Very low154 Ų154148.7 Ų148.772%0.7278%0.779SS**  trans82148.1-175.4-62.6-137.5125.600118.2
371R26.6Very low27.8Very low201 Ų201148.3 Ų148.376%0.75877%0.773SS**  cis-170.7116.4-28.3-176167.2-171.6166.71.9112.3
372A26.6Very low27.8Very low89 Ų89141.9 Ų141.974%0.73677%0.767SS**  trans61170.7163.400000116.3
373T27.4Very low27.9Very low125 Ų125144 Ų14477%0.76777%0.773SS**  cis-155.4148.916.1-23.40000113
374K27.3Very low27.9Very low203 Ų203142.8 Ų142.888%0.88377%0.772SS**  trans63.2102.9136.7-170.3-175.7-171.8-179.40120.9
375A28.5Very low27.9Very low103 Ų103141.3 Ų141.385%0.85178%0.779SS**  trans-159146.6132.500000112.8
376Q26.8Very low28Very low189 Ų189143.8 Ų143.888%0.88379%0.785SS**  trans-155.1173.7173.6-123.3-163.911.500105.8
377P39.7Very low27.9Very low101 Ų101137.9 Ų137.966%0.65678%0.776SS**  cis-138.6-149.21.436-12000113.9
378V25.3Very low28Very low123 Ų123138.6 Ų138.675%0.74578%0.781SS**  trans91110.3166.4-169.30000114.2
379R26.9Very low28Very low191 Ų191139 Ų13972%0.72178%0.784SS**  65146.471.6-87.4175.3156.2-174.4-8.7112.8
380F26.2Very low28.1Very low146 Ų146138.7 Ų138.764%0.6478%0.783SS**  cis-151.6160.513-90.4-56.2000107.9
381E27.6Very low28.1Very low158 Ų158139.7 Ų139.774%0.73879%0.786SS**  cis-152.6-104.2-20.5-165.3113-85.500109
382A26.4Very low28.1Very low85 Ų85137.7 Ų137.770%0.70279%0.785SS**  trans-159.4165.2178.200000113.4
383Q27.8Very low28Very low184 Ų184136.7 Ų136.786%0.8678%0.783SS**  trans170.2133.9130.1-93.217037.500116.8
384T27.4Very low28Very low121 Ų121136.9 Ų136.974%0.74279%0.789SS**  trans17.2144.3145.6610000124.1
385S26.7Very low28.3Very low124 Ų124133.2 Ų133.287%0.86778%0.784SS**  -165.9162.8123.237.40000112.8
386H29.8Very low28.8Very low202 Ų202134.2 Ų134.294%0.93578%0.782SS**  trans-119.7154.7-174.3-82.5-98.1000113.4
387G27.3Very low29Very low67 Ų67130.4 Ų130.469%0.69178%0.775SS**  trans-173.5119.5156.900000108
388S31.1Very low28.5Very low136 Ų136137.7 Ų137.795%0.95179%0.79SS**  71.2119.451.9-158.70000112.5
389G26.4Very low28.7Very low74 Ų74137.4 Ų137.476%0.76379%0.793SS**  cis-168-150.88.100000116.6
390T30.8Very low28.9Very low136 Ų136136.4 Ų136.483%0.83480%0.802SS**  trans-72.8154-16452.10000117.1
391F27.1Very low29.1Very low176 Ų176138.2 Ų138.277%0.77281%0.809SS**  -165.7-177.7106.3-150.4-113.1000113.8
392E26.5Very low29.2Very low159 Ų159141.8 Ų141.874%0.74382%0.816SS**  trans-91.2171-163-52.5171.6158.600116.2
393G26Very low29.4Very low67 Ų67143.6 Ų143.669%0.69181%0.814SS**  129.791.9119.600000121.3
394S26.5Very low29.4Very low129 Ų129142.9 Ų142.990%0.90281%0.81SS**  trans70.4149137.8-62.20000123.7
395V33.9Very low29.5Very low127 Ų127146.2 Ų146.277%0.7782%0.817SS**  trans-79.4162.7168.6-146.90000110.5
396P38.7Very low29.4Very low124 Ų124143.9 Ų143.981%0.80581%0.813SS**  -149.2156.410038.6-22.9000116.3
397S30.5Very low29.2Very low108 Ų108144 Ų14476%0.75581%0.811SS**  trans-73.1156.3169.6-46.10000112.7
398R29.6Very low29.1Very low254 Ų254146.7 Ų146.796%0.95881%0.809SS**  trans-141.4128.5163.7-112.6-173.9179.7-158.40.4112.6
399S28.8Very low28.9Very low117 Ų117149.7 Ų149.782%0.81880%0.799SS**  trans-103.2147.4177.3-44.50000111.2
400L32.8Very low28.8Very low171 Ų171153 Ų15390%0.89579%0.794SS**  trans-139.4123.2163.4-94.1171.5000110.5
401K29.5Very low28.6Very low184 Ų184150.3 Ų150.380%0.879%0.786SS**  trans-99.8144.2166-77.2-172.4171.9-169.10109.9
402R29.6Very low28.7Very low232 Ų232147.4 Ų147.488%0.87579%0.788SS**  trans-163136.9135.1-143.7165-69167.3-1.9112.7
403D31.6Very low28.8Very low124 Ų124146.7 Ų146.766%0.66380%0.795SS**  trans-96.6170.3179.8-40.8-94.6000112
404H27.4Very low28.8Very low168 Ų168149.2 Ų149.278%0.77880%0.797SS**  trans142.691.7139.3-74.888000116
405Q28.5Very low28.9Very low191 Ų191149 Ų14989%0.89380%0.796SS**  40.5122.3117-160.5165.59.300121.3
406G25.2Very low28.7Very low76 Ų76153 Ų15378%0.78480%0.803SS**  trans172.960.8169.100000122.9
407F24.4Very low28.1Very low203 Ų203151 Ų15189%0.8980%0.797SS**  trans42.3142.7137.7-137-138.7000125.2
408I27Very low27.9Very low125 Ų125155.1 Ų155.164%0.64180%0.801SS**  trans100.3117.3152.3-58-161000122
409R26.2Very low27.7Very low199 Ų199152.8 Ų152.875%0.75180%0.798SS**  trans62.7155.1153.8-66.7168.2111.2-168-14.5118.8
410E24.8Very low27.7Very low142 Ų142152.2 Ų152.266%0.66479%0.794SS**  cis-167.1161.9-12.8-108.3160.3176.600107
411A26.5Very low27.8Very low80 Ų80150.3 Ų150.366%0.66179%0.792SS**  cis-173.6165.6-29.600000110.2
412S28.3Very low27.7Very low116 Ų116149.7 Ų149.781%0.81180%0.797SS**  trans71152.4172.1-58.20000116.6
413T28.6Very low27.7Very low144 Ų144142.9 Ų142.988%0.88379%0.79SS**  cis-117.9179.918.953.80000114.9
414T27.1Very low27.5Very low120 Ų120145.4 Ų145.474%0.73680%0.802SS**  trans-128.4149.8-161.453.70000114.6
415S27.6Very low27.5Very low125 Ų125145.4 Ų145.487%0.87480%0.803SS**  trans-133.5145.7142.2-88.90000109.6
416K29.1Very low27.2Very low211 Ų211142.1 Ų142.192%0.91780%0.796SS**  trans-137.2164-177.5-94.1-172.5174.3-1770110.6
417A26.3Very low27.4Very low82 Ų82143.6 Ų143.668%0.67879%0.794SS**  trans-124.4166.8-174.800000113.4
418F27.7Very low27.6Very low194 Ų194143.9 Ų143.985%0.85180%0.795SS**  trans65.4134.8169.4-69.6-79.8000119
419F25.7Very low27.6Very low205 Ų205146.6 Ų146.690%0.89981%0.805SS**  -170.3161.299.6-105.2-74.3000112.3
420S28Very low27.7Very low105 Ų105145.9 Ų145.973%0.73482%0.815SS**  trans-96.1168174.1-39.60000112.1
421P35.7Very low27.6Very low130 Ų130142 Ų14284%0.84481%0.813SS**  trans-132.4169.2151.338-25.7000114.2
422L26.3Very low27.6Very low172 Ų172147.3 Ų147.390%0.90183%0.83SS**  trans-139.6136.3175.2-164.888.1000110.7
423A30.2Very low27.5Very low89 Ų89145.7 Ų145.774%0.73683%0.831SS**  trans26127.6159.300000122.9
424L26Very low27.5Very low177 Ų177144.4 Ų144.493%0.92782%0.823SS**  -152.3172.7126.8-14374.4000110.5
425E27.7Very low27.6Very low167 Ų167146.2 Ų146.278%0.7883%0.828SS**  trans-106.5177.3-155.4-52.4-175.1109.400117.7
426T23.7Very low27.9Very low123 Ų123146.7 Ų146.776%0.75582%0.821SS**  trans95.7130.6143.845.70000123.3
427S28.2Very low28.1Very low106 Ų106144.2 Ų144.274%0.74182%0.817SS**  trans77.997.3148.1-590000121
428K28.2Very low28.3Very low209 Ų209147.4 Ų147.491%0.90982%0.823SS**  -173.2152.8104.3-100.9166.1-177.11770114
429E27.2Very low28.3Very low183 Ų183147.1 Ų147.186%0.85582%0.822SS**  trans-82.2152.4169.8-64.2171.497.800112.2
430L28.3Very low28.8Very low183 Ų183143.4 Ų143.496%0.95881%0.809SS**  trans155.6138.3149.6-87.6161.9000107.7
431G24.3Very low29.1Very low61 Ų61144.2 Ų144.263%0.62981%0.805SS**  cis155.6107.3-7.600000112.3
432L26.4Very low29Very low192 Ų192147.5 Ų147.5100%1.00581%0.809SS**  trans69.9148.2174.8-51.6174.9000116.9
433G25.9Very low29.2Very low82 Ų82146.3 Ų146.385%0.84580%0.804SS**  trans158.544.8-178.500000114.4
434V28.1Very low29.3Very low117 Ų117149.1 Ų149.171%0.70981%0.812SS**  trans-75.1142.4171.21760000109.2
435N29.3Very low29.3Very low158 Ų158147.8 Ų147.885%0.84581%0.806SS**  trans-16093.7152.3-93.9-8.7000107.2
436D33.8Very low29.2Very low134 Ų134146 Ų14672%0.71781%0.81SS**  trans-86141.6155.7-54.8-71.1000107.3
437D33.4Very low29.3Very low159 Ų159146.6 Ų146.685%0.8581%0.808SS**  trans-149129.2163.6-97.2-47.4000107.3
438D31.1Very low29.1Very low149 Ų149150.2 Ų150.280%0.79781%0.811SS**  trans-93.7-162.4-167-62.1-71.8000114
439F27.2Very low28.9Very low188 Ų188147.9 Ų147.983%0.82580%0.803SS**  trans81.6136163.4-92.3-138.4000117.5
440M36.3Very low28.8Very low128 Ų128147.7 Ų147.763%0.63180%0.802SS**  cis-156.5168.4-4.1-129.9-81.2150.500111.8
441D33.2Very low28.7Very low122 Ų122145.4 Ų145.465%0.65280%0.796SS**  trans-79.6157.3179.9-43.5-74.6000113.5
442E34Very low28.9Very low199 Ų199150 Ų15093%0.9380%0.801SS**  trans-146.8128.8141.2-82.9-153.5124.900110.2
443D31.5Very low29.1Very low147 Ų147146.5 Ų146.579%0.78679%0.79SS**  trans-85.3157.3175.2-60.2-71.7000112.4
444T31.1Very low29Very low148 Ų148149.3 Ų149.391%0.90879%0.785SS**  trans-161127.5140.5-4.10000113.5
445D26.6Very low29.2Very low149 Ų149149 Ų14980%0.79779%0.785SS**  trans-76.5159.5-179.7-58.2-81.7000115
446C25.7Very low29.1Very low128 Ų128148.4 Ų148.487%0.86579%0.787SS**  -160.4151.6123.3-102.20000114.3
447L24.6Very low28.8Very low136 Ų136150.7 Ų150.771%0.71279%0.794SS**  trans-65163.3-179.4-65.983.9000112
448F24.9Very low28.5Very low183 Ų183155.3 Ų155.380%0.80380%0.799SS**  cis-159165.248-69.2-94.1000110
449Q25Very low28.2Very low159 Ų159157.4 Ų157.474%0.74380%0.804SS**  cis-166134.2-15.6161.2177.3-10.700107
450E24.9Very low28.2Very low180 Ų180159.4 Ų159.484%0.84181%0.806SS**  trans-84.1154.7-177.8-63.4-175.2137.800114.2
451V26.3Very low27.7Very low135 Ų135160.4 Ų160.482%0.81881%0.813SS**  trans-138.7105165.2-178.80000109.9
452E28.1Very low27.2Very low157 Ų157165.9 Ų165.973%0.73483%0.825SS**  trans-77.5142.1175.4-88.9-100.3123.900113.5
453P29.8Very low26.6Very low119 Ų119159.6 Ų159.677%0.77381%0.814SS**  trans-107.495157.434.6-25.2000112
454N25.3Very low26.4Very low141 Ų141161 Ų16175%0.75482%0.82SS**PPolyproline II helixtrans-63.8144.2179.5-147.7-0.9000111.9
455P31.8Very low26.2Very low110 Ų110158.4 Ų158.471%0.71481%0.808SS**PPolyproline II helixtrans-91.7149.8-166.135.2-32.2000114.4
456V26.1Very low26.1Very low145 Ų145159.9 Ų159.988%0.87981%0.81SS**PPolyproline II helixtrans-102.3131.6174.3-179.50000111.2
457Q27.4Very low26.1Very low183 Ų183161.7 Ų161.786%0.85581%0.81SS**PPolyproline II helixtrans-81.3139.9-170.2-64.2157.6-59.400113.3Q459Q457-Q459 PolarHBondContact O-N 2.91Å
458R27.4Very low25.9Very low255 Ų255160.6 Ų160.696%0.96281%0.813SS**  trans-74.9108.7160.6-78.5-179170.6170.1-2.4109.9
459Q25.8Very low25.9Very low193 Ų193156.7 Ų156.790%0.90282%0.815SS**  trans-92.3156.9168.1-156.9162.75.200111.5Q457Q457-Q459 PolarHBondContact O-N 2.91Å
460R26.2Very low26Very low231 Ų231157.3 Ų157.387%0.87282%0.815SS**  trans-136.4149.9-164.2-177.4-172.4-168.6-176.46.3108.6
461L25.5Very low26Very low148 Ų148155.1 Ų155.178%0.77581%0.805SS**  trans137.8151168.4-79.3159.4000109.7
462R23.3Very low26.1Very low237 Ų237156.4 Ų156.489%0.89480%0.802SS**  cis-170154.5-24-148.9-171.1-151-171.74.9109.9
463G22.2Very low25.9Very low68 Ų68158.5 Ų158.570%0.70181%0.809SS**  trans103.8156.4166.400000114.4
464L27.6Very low25.6Very low175 Ų175156.3 Ų156.392%0.91681%0.808SS**  cis-133.6163.66.1-85.2168.7000114.2
465S25.6Very low25.6Very low95 Ų95161.9 Ų161.966%0.66482%0.818SS**  trans-51.5152.8-177.1-42.80000119.2
466Q24.3Very low25.4Very low179 Ų179161.4 Ų161.484%0.83682%0.823SS**  trans49155131.7-61176.6-9.700119.4
467I25.8Very low25.4Very low166 Ų166164.4 Ų164.485%0.85182%0.819SS**  cis-150171.138.5-33.3179.5000110.2
468S21.2Very low25.5Very low113 Ų113162.4 Ų162.479%0.7981%0.81SS**  trans-98.5153.7-177.976.80000115.3
469A25.5Very low25.6Very low101 Ų101155.4 Ų155.484%0.83580%0.8SS**  trans-160.3166.5144.600000113.6
470K25.4Very low25.7Very low172 Ų172153.7 Ų153.775%0.74880%0.797SS**  trans-75.6179.3176.6-56.2147128.5-130.20110.6
471E26Very low25.8Very low134 Ų134149 Ų14963%0.62679%0.794SS**  cis-164146.923.9-153132.5-120.400114
472Q27.8Very low26.3Very low162 Ų162147.4 Ų147.476%0.75780%0.796SS**  trans56.7129.5149.5-77.7-176.20.100125.9
473F24.1Very low26.8Very low202 Ų202141.3 Ų141.389%0.88679%0.789SS**  trans64.6117.7144.2-88.3-87.7000122.4
474G24.1Very low27.3Very low72 Ų72142.3 Ų142.374%0.74279%0.785SS**  trans169.473.2160.400000119.8
475R24.4Very low27.7Very low258 Ų258142.6 Ų142.697%0.97479%0.787SS**  trans62.1125.3152.6-147.6174-163.3167.63.1119.9
476A27.4Very low28.5Very low100 Ų100142.9 Ų142.983%0.82679%0.789SS**  trans-52.4149.3-175.900000118.5
477R27.2Very low29Very low209 Ų209136.8 Ų136.879%0.78977%0.766SS**  trans-155.2150.4148.4-138178.4152.8147.70.4113.1
478E28Very low29.7Very low141 Ų141133 Ų13366%0.65975%0.75SS**  trans32.5105.2163.5-75.8128.6-163.600120.7
479S29.9Very low31Very low108 Ų108130.4 Ų130.476%0.75573%0.73SS**  trans-95.2123156.7560000110.8T481S479-T481 PolarHBondContact O-N 2.85Å
480N29.1Very low32.7Very low156 Ų156130.2 Ų130.283%0.83473%0.729SS**  trans-57.1121.7177.2-69.8-22.5000112.2S482N480-S482 PolarHBondContact O-N 3.04Å
481T27.8Very low34.8Very low132 Ų132124.8 Ų124.881%0.8171%0.708SS**  trans-84.387.6175.649.10000111.5S479 S483S479-T481 PolarHBondContact O-N 2.85Å; T481-S483 PolarHBondContact O-N 2.94Å
482S35.2Very low36.9Very low116 Ų116122.1 Ų122.181%0.81170%0.7SS**  trans-73.9100.8163.342.10000110.1N480 S484N480-S482 PolarHBondContact O-N 3.04Å; S482-S484 VanDerWaalsContact C-N 3.31Å; S482-S484 PolarHBondContact O-N 3.28Å
483S34.4Very low38.8Very low109 Ų109115.5 Ų115.576%0.76267%0.67SS**  trans-74.373.6-174.637.60000114.3T481T481-S483 PolarHBondContact O-N 2.94Å
484S32.8Very low41.2Very low89 Ų89111.7 Ų111.762%0.62266%0.664SS**  trans43.277.7139.362.50000118.9S482 S486S482-S484 VanDerWaalsContact C-N 3.31Å; S482-S484 PolarHBondContact O-N 3.28Å; S484-S486 VanDerWaalsContact C-N 3.26Å; S484-S486 PolarHBondContact O-N 2.85Å
485L36.1Very low43.9Very low181 Ų181109.3 Ų109.395%0.94864%0.635SS**  trans-8766.1151-80.1173.8000109.8
486S41.4Very low46.7Very low101 Ų101100 Ų10071%0.70661%0.614SS**  trans-136.443.1-165.165.60000115.6S484S484-S486 VanDerWaalsContact C-N 3.26Å; S484-S486 PolarHBondContact O-N 2.85Å
487C35.5Very low49.6Very low51 Ų5195.4 Ų95.435%0.34558%0.576SS.*  trans-161.593.3142.2-172.10000111.2S639 I640C487-S639 PolarHBondContact SG-O 3.27Å; C487-I640 HydrophobicContact CB-CG1 3.87Å
488V39.7Very low52.7Low86 Ų8686.1 Ų86.152%0.52154%0.541SS..SBendtrans-140.4136.2165.8-172.80000105.8A490 L491V488-A490 PolarHBondContact O-N 3.45Å; V488-L491 HydrophobicContact CG1-CD1 4.4Å; V488-L491 HydrophobicContact CG1-CG 4.42Å
489P48.3Very low55.7Low59 Ų5979.4 Ų79.438%0.38351%0.51SS..  trans-55.2129.8172.123.1-33.3000109.3L491 S636P489-L491 PolarHBondContact O-N 3.17Å; P489-S636 WeakPolarHBondContact CD-OG 3.43Å
490A62.1Low58.5Low97 Ų9777.6 Ų77.680%0.80249%0.487SS*.  trans-60.2100.1-163.900000112.7V488 T492V488-A490 PolarHBondContact O-N 3.45Å; A490-T492 PolarHBondContact O-N 3.18Å; A490-T492 VanDerWaalsContact O-N 3.11Å
491L68.6Low61.3Low58 Ų5870.4 Ų70.430%0.30445%0.448SS..  trans-63.5111.3-176-68.1172.1000110.8V488 P489 Y500 L503V488-L491 HydrophobicContact CG1-CD1 4.4Å; V488-L491 HydrophobicContact CG1-CG 4.42Å; P489-L491 PolarHBondContact O-N 3.17Å; L491-Y500 HydrophobicContact CD1-CD2 4.19Å; L491-Y500 HydrophobicContact CD1-CE2 3.92Å; L491-L503 HydrophobicContact CB-CD1 4.02Å
492T71.1Confident64.1Low77 Ų7766.3 Ų66.347%0.47243%0.425SS..  trans-85.3163.4171.569.50000110.7A490 T494 S495 T499A490-T492 PolarHBondContact O-N 3.18Å; A490-T492 VanDerWaalsContact O-N 3.11Å; T492-T494 PolarHBondContact O-N 3.21Å; T492-T494 VanDerWaalsContact O-N 3.14Å; T492-T494 PolarHBondContact OG1-N 3.43Å; T492-T494 PolarHBondContact OG1-OG1 3.32Å; T492-S495 PolarHBondContact N-OG 2.92Å; T492-S495 WeakPolarHBondContact O-CB 3.15Å; T492-S495 PolarHBondContact O-N 3.3Å; T492-S495 PolarHBondContact O-OG 2.88Å; T492-S495 PolarHBondContact OG1-N 2.91Å; T492-S495 PolarHBondContact OG1-OG 3.39Å; T492-T499 PolarHBondContact O-OG1 3.07Å
493L68.4Low66.3Low24 Ų2462.8 Ų62.813%0.12640%0.396CS..THydrogen-bonded Turntrans-58-25.4174.7-69178.5000113.5T499 L503 L504 L507 T516 V518L493-T499 HydrophobicContact CD2-CG2 4.28Å; L493-T499 WeakPolarHBondContact O-CG2 3.35Å; L493-L503 HydrophobicContact CD2-CB 4.4Å; L493-L504 HydrophobicContact CD2-CD1 3.86Å; L493-L507 HydrophobicContact CD1-CB 4.45Å; L493-L507 HydrophobicContact CD1-CD1 3.56Å; L493-L507 HydrophobicContact CD2-CD1 4.05Å; L493-L507 HydrophobicContact CG-CD1 3.65Å; L493-T516 HydrophobicContact CD1-CG2 3.99Å; L493-V518 HydrophobicContact CB-CG2 4.48Å; L493-V518 HydrophobicContact CD1-CG2 4.36Å; L493-V518 HydrophobicContact CD2-CG1 4.41Å; L493-V518 HydrophobicContact CD2-CG2 4.43Å
494T72.9Confident68.3Low121 Ų12158.1 Ų58.174%0.74236%0.363SS*.THydrogen-bonded Turntrans-100.811.9-176.8520000113.5T492 A496T492-T494 PolarHBondContact O-N 3.21Å; T492-T494 VanDerWaalsContact O-N 3.14Å; T492-T494 PolarHBondContact OG1-N 3.43Å; T492-T494 PolarHBondContact OG1-OG1 3.32Å; T494-A496 PolarHBondContact O-N 3.47Å
495S81.5Confident69.8Low22 Ų2259 Ų5915%0.15436%0.361CS..  trans-60.4117.9-179.6-58.70000111.5T492 P497 F498 R632T492-S495 PolarHBondContact N-OG 2.92Å; T492-S495 WeakPolarHBondContact O-CB 3.15Å; T492-S495 PolarHBondContact O-N 3.3Å; T492-S495 PolarHBondContact O-OG 2.88Å; T492-S495 PolarHBondContact OG1-N 2.91Å; T492-S495 PolarHBondContact OG1-OG 3.39Å; S495-P497 CarbonylContact O-C 3.53Å; S495-F498 CarbonylContact O-C 3.54Å; S495-F498 WeakPolarHBondContact O-CA 3.38Å; S495-F498 PolarHBondContact O-N 3.39Å; S495-F498 VanDerWaalsContact O-N 3.1Å; S495-R632 VanDerWaalsContact C-NH2 3.3Å; S495-R632 VanDerWaalsContact CB-NH2 3.33Å; S495-R632 PolarHBondContact O-NH2 3.12Å
496A83.6Confident71Confident64 Ų6457.1 Ų57.153%0.52935%0.345SS..SBendtrans-68.5138.3174.200000111.1T494 R632T494-A496 PolarHBondContact O-N 3.47Å; A496-R632 PolarHBondContact O-NE 3.48Å; A496-R632 PolarHBondContact O-NH2 2.96Å
497P88Confident71.7Confident2 Ų254.7 Ų54.71%0.01332%0.324CS..SBendcis-79.1-33.41.529.5-33.2000114.6S495 R519 V625 E628 L629S495-P497 CarbonylContact O-C 3.53Å; P497-R519 PolarHBondContact O-NH1 2.68Å; P497-V625 HydrophobicContact CB-CB 4.28Å; P497-V625 HydrophobicContact CB-CG1 3.87Å; P497-V625 HydrophobicContact CB-CG2 4.19Å; P497-V625 HydrophobicContact CG-CG1 4.11Å; P497-E628 HydrophobicContact CB-CB 3.99Å; P497-E628 WeakPolarHBondContact CB-OE2 3.2Å; P497-E628 HydrophobicContact CG-CB 4.09Å; P497-L629 HydrophobicContact CG-CB 4.03Å
498F91.9Very high72.9Confident14 Ų1456.3 Ų56.36%0.06133%0.329CS..  trans-153.3165.7-178.159.4-99.2000112.1S495 Y500 R519 K521 I601 V625 L629 R632S495-F498 CarbonylContact O-C 3.54Å; S495-F498 WeakPolarHBondContact O-CA 3.38Å; S495-F498 PolarHBondContact O-N 3.39Å; S495-F498 VanDerWaalsContact O-N 3.1Å; F498-Y500 HydrophobicContact CE2-CE1 4.42Å; F498-R519 CarbonylContact C-O 3.57Å; F498-R519 WeakPolarHBondContact CA-O 3.45Å; F498-R519 HydrophobicContact CB-CB 4.34Å; F498-R519 WeakPolarHBondContact CB-O 3.41Å; F498-K521 HydrophobicContact CD1-CB 4.15Å; F498-K521 HydrophobicContact CD2-CB 3.96Å; F498-K521 HydrophobicContact CE1-CB 3.88Å; F498-K521 HydrophobicContact CE2-CB 3.67Å; F498-K521 HydrophobicContact CG-CB 4.21Å; F498-K521 HydrophobicContact CZ-CB 3.64Å; F498-K521 HydrophobicContact CZ-CD 4.35Å; F498-I601 HydrophobicContact CD1-CD1 3.73Å; F498-I601 HydrophobicContact CE1-CD1 4.05Å; F498-I601 HydrophobicContact CG-CD1 4.46Å; F498-V625 HydrophobicContact CD1-CG1 4.01Å; F498-V625 HydrophobicContact CE1-CG1 3.88Å; F498-L629 HydrophobicContact CE1-CD2 4.4Å; F498-L629 HydrophobicContact CZ-CD1 4.43Å; F498-L629 HydrophobicContact CZ-CD2 4.05Å; F498-R632 VanDerWaalsContact O-CZ 3.26Å; F498-R632 PolarHBondContact O-NH1 3.29Å; F498-R632 PolarHBondContact O-NH2 2.85Å
499T90.4Very high73.9Confident0 Ų056.6 Ų56.60%033%0.334CS..BIsolated β-bridgetrans-114.4-171.6178.2-152.60000111.7T492 L493 V518 R519 V520T492-T499 PolarHBondContact O-OG1 3.07Å; L493-T499 HydrophobicContact CD2-CG2 4.28Å; L493-T499 WeakPolarHBondContact O-CG2 3.35Å; T499-V518 HydrophobicContact CG2-CG1 3.25Å; T499-R519 PolarHBondContact N-O 2.92Å; T499-V520 HydrophobicContact CG2-CG1 4.43Å
500Y90.3Very high74.5Confident70 Ų7059.7 Ų59.728%0.27534%0.342SS..  trans-119148.2-173.2-57.5-78.8000113.8L491 F498 C502 L503 L504 D546 T548L491-Y500 HydrophobicContact CD1-CD2 4.19Å; L491-Y500 HydrophobicContact CD1-CE2 3.92Å; F498-Y500 HydrophobicContact CE2-CE1 4.42Å; Y500-C502 VanDerWaalsContact C-N 3.34Å; Y500-C502 PolarHBondContact O-N 2.87Å; Y500-L503 HydrophobicContact CD2-CD1 4.44Å; Y500-L503 WeakPolarHBondContact O-CB 3.25Å; Y500-L503 PolarHBondContact O-N 2.98Å; Y500-L503 VanDerWaalsContact O-N 3.15Å; Y500-L504 WeakPolarHBondContact O-CD1 3.35Å; Y500-D546 WeakPolarHBondContact CA-OD2 3.24Å; Y500-T548 HydrophobicContact CD1-CG2 3.74Å; Y500-T548 HydrophobicContact CG-CG2 4.19Å
501L88.4Confident74.4Confident5 Ų561.7 Ų61.73%0.02635%0.346CS..G310 helixtrans-60.5-38.2-179.4-68.3178.2000112.6L503 L504 V520 D546 T548 L551 I604L501-L503 PolarHBondContact O-N 3.21Å; L501-L504 HydrophobicContact CD2-CD2 4.07Å; L501-L504 WeakPolarHBondContact O-CB 3.29Å; L501-L504 PolarHBondContact O-N 2.69Å; L501-V520 HydrophobicContact CD2-CG1 4.15Å; L501-D546 HydrophobicContact CD1-CB 4.25Å; L501-D546 HydrophobicContact CG-CB 4.26Å; L501-D546 PolarHBondContact N-OD2 2.79Å; L501-T548 PolarHBondContact N-OG1 3.06Å; L501-L551 HydrophobicContact CD1-CB 4.48Å; L501-L551 HydrophobicContact CD2-CB 4.13Å; L501-L551 HydrophobicContact CD2-CD2 4.25Å; L501-I604 HydrophobicContact CD2-CD1 4.12Å
502C84.8Confident74.2Confident47 Ų4763.5 Ų63.532%0.31835%0.349SS..G310 helixtrans-62.7-6.3177.2720000115.2Y500 T548Y500-C502 VanDerWaalsContact C-N 3.34Å; Y500-C502 PolarHBondContact O-N 2.87Å; C502-T548 WeakPolarHBondContact CB-O 3.47Å; C502-T548 PolarHBondContact N-OG1 3.49Å; C502-T548 VanDerWaalsContact N-OG1 3.1Å
503L81.4Confident73.9Confident41 Ų4165.6 Ų65.622%0.21537%0.367CS..G310 helixtrans-97.9-10.6173.9-56.1179.5000113L491 L493 Y500 L501L491-L503 HydrophobicContact CB-CD1 4.02Å; L493-L503 HydrophobicContact CD2-CB 4.4Å; Y500-L503 HydrophobicContact CD2-CD1 4.44Å; Y500-L503 WeakPolarHBondContact O-CB 3.25Å; Y500-L503 PolarHBondContact O-N 2.98Å; Y500-L503 VanDerWaalsContact O-N 3.15Å; L501-L503 PolarHBondContact O-N 3.21Å
504L76.8Confident74Confident11 Ų1171.2 Ų71.26%0.05839%0.393CS..THydrogen-bonded Turntrans-75.6-46.8176.7-8359.8000111.4L493 Y500 L501 K506 L507 L508 V518 L551L493-L504 HydrophobicContact CD2-CD1 3.86Å; Y500-L504 WeakPolarHBondContact O-CD1 3.35Å; L501-L504 HydrophobicContact CD2-CD2 4.07Å; L501-L504 WeakPolarHBondContact O-CB 3.29Å; L501-L504 PolarHBondContact O-N 2.69Å; L504-K506 PolarHBondContact O-N 2.76Å; L504-K506 VanDerWaalsContact O-N 3.13Å; L504-L507 CarbonylContact O-C 3.59Å; L504-L507 WeakPolarHBondContact O-CA 3.36Å; L504-L507 PolarHBondContact O-N 3.22Å; L504-L508 HydrophobicContact CB-CD1 4.01Å; L504-L508 HydrophobicContact CB-CG 4.28Å; L504-L508 PolarHBondContact O-N 3.35Å; L504-V518 HydrophobicContact CD1-CG1 4.13Å; L504-L551 HydrophobicContact CD2-CD2 4Å
505D64.9Low74.3Confident108 Ų10869.5 Ų69.558%0.57838%0.383SS*.Hα-helixtrans-52.5-41.9-175.1-62.3-24.4000113.3L507 S509D505-L507 PolarHBondContact O-N 3.49Å; D505-S509 VanDerWaalsContact O-CB 3.3Å; D505-S509 WeakPolarHBondContact O-CB 3.42Å; D505-S509 PolarHBondContact O-N 2.93Å; D505-S509 PolarHBondContact O-OG 2.67Å
506K60.7Low74.4Confident141 Ų14169.5 Ų69.561%0.61338%0.383SS*.Hα-helixtrans-68.1-5180-64.8171-176.2163.50113.6L504L504-K506 PolarHBondContact O-N 2.76Å; L504-K506 VanDerWaalsContact O-N 3.13Å
507L55.8Low74.7Confident50 Ų5072.1 Ų72.126%0.26238%0.384SS..Hα-helixtrans-133.7-27-172.7-65.9176.3000114L493 L504 D505 S509 K510L493-L507 HydrophobicContact CD1-CB 4.45Å; L493-L507 HydrophobicContact CD1-CD1 3.56Å; L493-L507 HydrophobicContact CD2-CD1 4.05Å; L493-L507 HydrophobicContact CG-CD1 3.65Å; L504-L507 CarbonylContact O-C 3.59Å; L504-L507 WeakPolarHBondContact O-CA 3.36Å; L504-L507 PolarHBondContact O-N 3.22Å; D505-L507 PolarHBondContact O-N 3.49Å; L507-S509 VanDerWaalsContact C-N 3.31Å; L507-K510 PolarHBondContact O-N 2.99Å
508L62.3Low74.8Confident86 Ų8672.3 Ų72.345%0.4539%0.385SS..Hα-helixtrans-69.4-31.2165.7-68.2177.2000111.4L504 K510 A606L504-L508 HydrophobicContact CB-CD1 4.01Å; L504-L508 HydrophobicContact CB-CG 4.28Å; L504-L508 PolarHBondContact O-N 3.35Å; L508-K510 PolarHBondContact O-N 3.45Å; L508-A606 HydrophobicContact CD2-CB 3.85Å
509S59.3Low74.9Confident91 Ų9175.3 Ų75.364%0.63640%0.396SS*.THydrogen-bonded Turntrans-65.56.6171.551.60000115.2D505 L507D505-S509 VanDerWaalsContact O-CB 3.3Å; D505-S509 WeakPolarHBondContact O-CB 3.42Å; D505-S509 PolarHBondContact O-N 2.93Å; D505-S509 PolarHBondContact O-OG 2.67Å; L507-S509 VanDerWaalsContact C-N 3.31Å
510K61.7Low75Confident125 Ų12575.3 Ų75.354%0.54340%0.396SS..SBendtrans-123.5125.6177.3-63.8-179.3-176.2175.90109.8L507 L508 R512L507-K510 PolarHBondContact O-N 2.99Å; L508-K510 PolarHBondContact O-N 3.45Å; K510-R512 PolarHBondContact O-N 2.89Å
511P59.1Low75.3Confident138 Ų13876.3 Ų76.390%0.89640%0.402SS*.  trans-61.1133.1176.725.8-33.6000110.4
512R64.3Low75.6Confident96 Ų9676.1 Ų76.136%0.36240%0.401SS..  trans-122.1155.4178.2-72.3-179172.2-178.9-3.3109.8K510 T516 P608K510-R512 PolarHBondContact O-N 2.89Å; R512-T516 WeakPolarHBondContact CD-OG1 3.19Å; R512-T516 PolarHBondContact NH1-OG1 2.93Å; R512-P608 WeakPolarHBondContact O-CB 3.31Å
513S65.8Low76.1Confident121 Ų12178 Ų7885%0.84640%0.404SS*.SBendtrans-94.6-4.5175.650.80000113.8
514Q70.9Confident76.7Confident143 Ų14377 Ų7767%0.66840%0.399SS*.SBendtrans-137.9147.6-175.5-68.2-177.4-17.300111
515P79.1Confident77.3Confident84 Ų8479.7 Ų79.755%0.54542%0.415SS..  trans-55.3144.8171-23.233.8000111.8V605 A606P515-V605 HydrophobicContact CB-CG1 4.13Å; P515-A606 WeakPolarHBondContact CA-O 3.41Å
516T83.4Confident78.5Confident23 Ų2378.1 Ų78.114%0.14141%0.409CS..EExtended strand (participates in β ladder)trans-107114.3175.7-54.90000109.4L493 R512 V518 V605 A606L493-T516 HydrophobicContact CD1-CG2 3.99Å; R512-T516 WeakPolarHBondContact CD-OG1 3.19Å; R512-T516 PolarHBondContact NH1-OG1 2.93Å; T516-V518 HydrophobicContact CG2-CG2 3.73Å; T516-V605 WeakPolarHBondContact O-CA 3.12Å; T516-A606 PolarHBondContact N-O 2.84Å; T516-A606 PolarHBondContact O-N 2.91Å
517E89.1Confident80Confident118 Ų11875 Ų7555%0.55140%0.399SS*.EExtended strand (participates in β ladder)trans-87.3133.4167.7-171.2179.4145.200110T603 I604 V605E517-T603 HydrophobicContact CG-CG2 3.61Å; E517-T603 VanDerWaalsContact OE1-CG2 3.24Å; E517-T603 WeakPolarHBondContact OE1-CG2 3.23Å; E517-I604 CarbonylContact C-O 3.56Å; E517-I604 WeakPolarHBondContact CA-O 3.11Å; E517-V605 HydrophobicContact CB-CG2 4.39Å; E517-V605 HydrophobicContact CG-CG2 4.2Å
518V90.1Very high81.5Confident7 Ų776.9 Ų76.94%0.04241%0.409CS..EExtended strand (participates in β ladder)trans-139.6139.4-179.7-171.60000109.6L493 T499 L504 T516 V520 T603 I604L493-V518 HydrophobicContact CB-CG2 4.48Å; L493-V518 HydrophobicContact CD1-CG2 4.36Å; L493-V518 HydrophobicContact CD2-CG1 4.41Å; L493-V518 HydrophobicContact CD2-CG2 4.43Å; T499-V518 HydrophobicContact CG2-CG1 3.25Å; L504-V518 HydrophobicContact CD1-CG1 4.13Å; T516-V518 HydrophobicContact CG2-CG2 3.73Å; V518-V520 HydrophobicContact CG1-CG1 4.32Å; V518-T603 CarbonylContact O-C 3.57Å; V518-T603 WeakPolarHBondContact O-CA 3.12Å; V518-I604 PolarHBondContact N-O 2.81Å; V518-I604 PolarHBondContact O-N 2.79Å
519R93.9Very high82.7Confident76 Ų7674.7 Ų74.729%0.28741%0.407SS..EExtended strand (participates in β ladder)trans-105.6130.6172.2-64178.276.1-140.714.7110.3P497 F498 T499 M602 T603P497-R519 PolarHBondContact O-NH1 2.68Å; F498-R519 CarbonylContact C-O 3.57Å; F498-R519 WeakPolarHBondContact CA-O 3.45Å; F498-R519 HydrophobicContact CB-CB 4.34Å; F498-R519 WeakPolarHBondContact CB-O 3.41Å; T499-R519 PolarHBondContact N-O 2.92Å; R519-M602 WeakPolarHBondContact CA-O 3.33Å; R519-T603 HydrophobicContact CG-CG2 4.27Å
520V94.1Very high84Confident0 Ų077.1 Ų77.10%041%0.406CS..EExtended strand (participates in β ladder)trans-129.1156.6175-59.20000109.9T499 L501 V518 A522 I601 M602 I604T499-V520 HydrophobicContact CG2-CG1 4.43Å; L501-V520 HydrophobicContact CD2-CG1 4.15Å; V518-V520 HydrophobicContact CG1-CG1 4.32Å; V520-A522 HydrophobicContact CG2-CB 3.73Å; V520-I601 CarbonylContact O-C 3.58Å; V520-I601 WeakPolarHBondContact O-CA 3.36Å; V520-M602 HydrophobicContact CG2-CB 4.1Å; V520-M602 PolarHBondContact N-O 3.1Å; V520-M602 PolarHBondContact O-N 3.1Å; V520-I604 HydrophobicContact CG1-CD1 4.19Å; V520-I604 HydrophobicContact CG2-CD1 3.52Å; V520-I604 HydrophobicContact CG2-CG1 4.36Å
521K94.9Very high85.3Confident91 Ų9173.7 Ų73.740%0.39639%0.394SS..EExtended strand (participates in β ladder)trans-95.3107.9160.2-175.7-161.3170.4-163.80107.3F498 D546 C600 I601 V621F498-K521 HydrophobicContact CD1-CB 4.15Å; F498-K521 HydrophobicContact CD2-CB 3.96Å; F498-K521 HydrophobicContact CE1-CB 3.88Å; F498-K521 HydrophobicContact CE2-CB 3.67Å; F498-K521 HydrophobicContact CG-CB 4.21Å; F498-K521 HydrophobicContact CZ-CB 3.64Å; F498-K521 HydrophobicContact CZ-CD 4.35Å; K521-D546 VanDerWaalsContact O-CB 3.25Å; K521-D546 WeakPolarHBondContact O-CB 3.4Å; K521-C600 WeakPolarHBondContact CA-O 3.25Å; K521-I601 HydrophobicContact CB-CD1 3.66Å; K521-I601 HydrophobicContact CG-CD1 3.9Å; K521-V621 HydrophobicContact CG-CG2 4.45Å
522A95.8Very high86.8Confident1 Ų170.2 Ų70.21%0.00837%0.37CS..EExtended strand (participates in β ladder)trans-133166.4-174.500000111.6V520 I544 S545 D546 C599 C600 M602V520-A522 HydrophobicContact CG2-CB 3.73Å; A522-I544 HydrophobicContact CB-CB 4.49Å; A522-I544 HydrophobicContact CB-CD1 4.35Å; A522-S545 CarbonylContact C-O 3.56Å; A522-S545 WeakPolarHBondContact CA-O 3.41Å; A522-S545 VanDerWaalsContact CB-O 3.31Å; A522-S545 WeakPolarHBondContact CB-O 3.4Å; A522-D546 HydrophobicContact CB-CB 4.48Å; A522-C599 WeakPolarHBondContact O-CA 3.46Å; A522-C600 PolarHBondContact N-O 3.26Å; A522-C600 PolarHBondContact O-N 3.02Å; A522-M602 HydrophobicContact CB-CE 4.44Å; A522-M602 HydrophobicContact CB-CG 4.48Å; A522-M602 HydrophobicContact CB-SD 3.86Å
523F95.2Very high88Confident88 Ų8867.7 Ų67.739%0.38637%0.367SS..EExtended strand (participates in β ladder)trans-125.4155.4170.463.1-81.5000111V525 I544 S545 M598 C599F523-V525 HydrophobicContact CD2-CG2 4.3Å; F523-V525 HydrophobicContact CE2-CG2 3.86Å; F523-V525 HydrophobicContact CZ-CG2 4.42Å; F523-I544 VanDerWaalsContact O-CA 3.27Å; F523-I544 WeakPolarHBondContact O-CA 3.48Å; F523-I544 WeakPolarHBondContact O-CB 3.41Å; F523-S545 WeakPolarHBondContact CD1-O 3.48Å; F523-S545 WeakPolarHBondContact CE1-O 3.18Å; F523-S545 PolarHBondContact N-O 3Å; F523-S545 PolarHBondContact O-N 2.92Å; F523-M598 WeakPolarHBondContact CA-O 3.25Å; F523-M598 WeakPolarHBondContact CB-O 3.4Å; F523-C599 HydrophobicContact CB-CB 4.12Å
524I93.3Very high89Confident20 Ų2065 Ų6510%0.10335%0.348CS..EExtended strand (participates in β ladder)trans-74.7127.3171-66177.6000108.3L527 A542 I544 L555 L595 M598 M602I524-L527 HydrophobicContact CG2-CD2 4.2Å; I524-A542 HydrophobicContact CG2-CB 4.32Å; I524-I544 HydrophobicContact CG1-CG2 4.11Å; I524-L555 HydrophobicContact CD1-CD1 4.17Å; I524-L595 HydrophobicContact CD1-CD2 3.61Å; I524-M598 HydrophobicContact CD1-CB 4.02Å; I524-M598 HydrophobicContact CD1-CE 4.38Å; I524-M598 HydrophobicContact CD1-CG 4.39Å; I524-M598 HydrophobicContact CD1-SD 3.77Å; I524-M598 HydrophobicContact CG1-CB 4.19Å; I524-M598 HydrophobicContact CG1-SD 4.3Å; I524-M598 PolarHBondContact N-O 2.81Å; I524-M602 HydrophobicContact CG1-CE 4.11Å
525V90Very high89.8Confident66 Ų6666 Ų6640%0.436%0.358SS..EExtended strand (participates in β ladder)trans-90.2-44176.6-178.10000110.1F523 S543 Y550F523-V525 HydrophobicContact CD2-CG2 4.3Å; F523-V525 HydrophobicContact CE2-CG2 3.86Å; F523-V525 HydrophobicContact CZ-CG2 4.42Å; V525-S543 WeakPolarHBondContact CB-O 3.23Å; V525-S543 PolarHBondContact N-O 2.86Å; V525-Y550 HydrophobicContact CG1-CE1 4.23Å; V525-Y550 HydrophobicContact CG2-CD1 4.1Å; V525-Y550 HydrophobicContact CG2-CE1 3.97Å
526T89.8Confident90.3Very high75 Ų7564.4 Ų64.446%0.4636%0.356SS..EExtended strand (participates in β ladder)trans-161.2159177.4-172.50000110.8L528 A542 S543T526-L528 HydrophobicContact CG2-CD2 4.01Å; T526-A542 CarbonylContact O-C 3.47Å; T526-A542 WeakPolarHBondContact O-CA 3.32Å; T526-S543 PolarHBondContact N-O 3.04Å; T526-S543 PolarHBondContact O-N 3.5Å
527L91.5Very high90.8Very high77 Ų7766.5 Ų66.540%0.40337%0.369SS..EExtended strand (participates in β ladder)trans-90.9130.9168.7-59.4-179000109.3I524 G529 A542 L595I524-L527 HydrophobicContact CG2-CD2 4.2Å; L527-G529 VanDerWaalsContact C-N 3.33Å; L527-A542 HydrophobicContact CD2-CB 3.92Å; L527-L595 HydrophobicContact CD1-CD1 4.46Å
528L88.6Confident91.1Very high88 Ų8861 Ų6146%0.46134%0.343SS..SBendtrans-93.57.8-177.7-57.8172.6000112.4T526 S541 D552T526-L528 HydrophobicContact CG2-CD2 4.01Å; L528-S541 PolarHBondContact N-O 3.2Å; L528-D552 HydrophobicContact CD1-CB 3.83Å
529G86.8Confident91.1Very high40 Ų4061.5 Ų61.541%0.41235%0.347SS..SBendtrans-175171.2179.700000112.6L527 V540L527-G529 VanDerWaalsContact C-N 3.33Å; G529-V540 VanDerWaalsContact O-CG2 3.29Å; G529-V540 WeakPolarHBondContact O-CG2 3.36Å
530K87.8Confident91.1Very high142 Ų14258.1 Ų58.162%0.61734%0.335SS*.  trans-74.4154172.9-64.1175.6174.5-170.20110.2L335 T532L335-K530 HydrophobicContact CD1-CD 3.66Å; L335-K530 HydrophobicContact CD1-CG 4.17Å; K530-T532 PolarHBondContact O-N 2.93Å
531L89.1Confident91Very high54 Ų5459.9 Ų59.928%0.28335%0.347SS..  trans-67.2114.1171177.164.5000110.1W538 V540 L560 L564 M588L531-W538 HydrophobicContact CD1-CE3 3.8Å; L531-W538 HydrophobicContact CD1-CZ3 4.37Å; L531-W538 HydrophobicContact CD2-CE3 4.01Å; L531-W538 HydrophobicContact CD2-CZ3 3.79Å; L531-W538 HydrophobicContact CG-CE3 3.79Å; L531-W538 HydrophobicContact CG-CZ3 3.85Å; L531-V540 HydrophobicContact CD1-CB 4.27Å; L531-L560 HydrophobicContact CD1-CD1 4.09Å; L531-L560 HydrophobicContact CD1-CD2 4.18Å; L531-L564 HydrophobicContact CD2-CD1 4.25Å; L531-L564 HydrophobicContact CD2-CD2 4.2Å; L531-M588 HydrophobicContact CD2-CE 4.38Å; L531-M588 HydrophobicContact CD2-SD 3.83Å
532T90Very high91Very high64 Ų6455.6 Ų55.639%0.39333%0.329SS..EExtended strand (participates in β ladder)trans-104.1156.2-179.564.20000111.9K530 W538 S539K530-T532 PolarHBondContact O-N 2.93Å; T532-W538 WeakPolarHBondContact O-CA 3.26Å; T532-S539 PolarHBondContact N-O 3.45Å; T532-S539 PolarHBondContact O-N 3.07Å; T532-S539 PolarHBondContact OG1-O 3.49Å
533S89.5Confident90.9Very high43 Ų4356.1 Ų56.130%0.30133%0.333SS..EExtended strand (participates in β ladder)trans-133.361.8176.166.90000111.5V537 K571S533-V537 CarbonylContact C-O 3.34Å; S533-V537 VanDerWaalsContact CA-O 3.31Å; S533-V537 WeakPolarHBondContact CA-O 3.44Å; S533-K571 PolarHBondContact OG-NZ 3.26Å
534S86.9Confident90.9Very high64 Ų6452 Ų5245%0.44831%0.314SS..EExtended strand (participates in β ladder)trans-86147.2-179.851.10000111.4G536 V537S534-G536 PolarHBondContact O-N 2.9Å; S534-V537 PolarHBondContact N-O 3.41Å; S534-V537 WeakPolarHBondContact O-CB 3.25Å; S534-V537 PolarHBondContact O-N 3.44Å; S534-V537 VanDerWaalsContact O-O 3.09Å
535N88Confident91Very high166 Ų16651.1 Ų51.189%0.88831%0.31SS*.THydrogen-bonded Turntrans51.826.3175.6-58.3-11.3000115.6V537N535-V537 VanDerWaalsContact C-N 3.34Å
536G89.1Confident91.1Very high49 Ų4949.3 Ų49.351%0.50530%0.298SS..THydrogen-bonded Turntrans79.411.1-175.800000115.2S534 V568S534-G536 PolarHBondContact O-N 2.9Å; G536-V568 WeakPolarHBondContact O-CB 3.4Å
537V93.5Very high91.1Very high67 Ų6749 Ų4941%0.40631%0.309SS..EExtended strand (participates in β ladder)trans-122.4134.5-172.1-174.90000109.7S533 S534 N535 N557S533-V537 CarbonylContact C-O 3.34Å; S533-V537 VanDerWaalsContact CA-O 3.31Å; S533-V537 WeakPolarHBondContact CA-O 3.44Å; S534-V537 PolarHBondContact N-O 3.41Å; S534-V537 WeakPolarHBondContact O-CB 3.25Å; S534-V537 PolarHBondContact O-N 3.44Å; S534-V537 VanDerWaalsContact O-O 3.09Å; N535-V537 VanDerWaalsContact C-N 3.34Å; V537-N557 HydrophobicContact CG1-CB 3.58Å
538W94.4Very high90.9Very high3 Ų348.1 Ų48.11%0.01131%0.307CS..EExtended strand (participates in β ladder)trans-78.2134.3169.7-67.9116000110.8L531 T532 N557 L560 L564 F566 V568 K571 M588L531-W538 HydrophobicContact CD1-CE3 3.8Å; L531-W538 HydrophobicContact CD1-CZ3 4.37Å; L531-W538 HydrophobicContact CD2-CE3 4.01Å; L531-W538 HydrophobicContact CD2-CZ3 3.79Å; L531-W538 HydrophobicContact CG-CE3 3.79Å; L531-W538 HydrophobicContact CG-CZ3 3.85Å; T532-W538 WeakPolarHBondContact O-CA 3.26Å; W538-N557 PolarHBondContact N-OD1 3.08Å; W538-L560 HydrophobicContact CB-CB 3.67Å; W538-L560 HydrophobicContact CB-CD1 3.84Å; W538-L560 HydrophobicContact CB-CG 4.42Å; W538-L560 HydrophobicContact CG-CB 4.31Å; W538-L564 HydrophobicContact CD2-CD1 3.58Å; W538-L564 HydrophobicContact CE3-CD1 4.06Å; W538-L564 HydrophobicContact CG-CD1 3.99Å; W538-L564 HydrophobicContact CH2-CD1 4.03Å; W538-L564 HydrophobicContact CZ2-CD1 3.59Å; W538-L564 HydrophobicContact CZ3-CD1 4.26Å; W538-F566 HydrophobicContact CH2-CE2 4.29Å; W538-F566 AromaticContact CZ2-CD2 3.97Å; W538-F566 HydrophobicContact CZ2-CD2 3.97Å; W538-F566 AromaticContact CZ2-CE2 3.73Å; W538-F566 HydrophobicContact CZ2-CE2 3.73Å; W538-F566 PolarHBondContact NE1-O 2.91Å; W538-V568 HydrophobicContact CD2-CG2 3.65Å; W538-V568 HydrophobicContact CE3-CG2 4.32Å; W538-V568 HydrophobicContact CG-CG2 3.73Å; W538-V568 HydrophobicContact CZ2-CG2 4.3Å; W538-K571 HydrophobicContact CH2-CB 4.47Å; W538-K571 HydrophobicContact CH2-CD 3.46Å; W538-K571 VanDerWaalsContact CH2-CD 3.46Å; W538-K571 HydrophobicContact CH2-CG 4.06Å; W538-K571 HydrophobicContact CZ2-CB 4.03Å; W538-K571 HydrophobicContact CZ2-CD 3.8Å; W538-K571 HydrophobicContact CZ2-CG 4.13Å; W538-K571 HydrophobicContact CZ3-CD 4.33Å; W538-M588 HydrophobicContact CH2-CE 4.33Å
539S91.1Very high90.9Very high18 Ų1844.9 Ų44.913%0.12630%0.295CS..EExtended strand (participates in β ladder)trans-142.9138.2172.9173.30000111.7T532 E554T532-S539 PolarHBondContact N-O 3.45Å; T532-S539 PolarHBondContact O-N 3.07Å; T532-S539 PolarHBondContact OG1-O 3.49Å; S539-E554 WeakPolarHBondContact CB-OE1 3.46Å; S539-E554 PolarHBondContact OG-OE1 2.63Å
540V93.3Very high91.1Very high4 Ų450.8 Ų50.82%0.02431%0.306CS..EExtended strand (participates in β ladder)trans-148.6140.8164.7730000109.1G529 L531 L555 L560G529-V540 VanDerWaalsContact O-CG2 3.29Å; G529-V540 WeakPolarHBondContact O-CG2 3.36Å; L531-V540 HydrophobicContact CD1-CB 4.27Å; V540-L555 HydrophobicContact CG1-CB 4.12Å; V540-L555 HydrophobicContact CG1-CD1 3.8Å; V540-L555 HydrophobicContact CG1-CG 4.08Å; V540-L555 PolarHBondContact O-N 3.12Å; V540-L560 HydrophobicContact CG1-CD1 4.11Å; V540-L560 HydrophobicContact CG1-CD2 3.79Å
541S93.6Very high91.2Very high38 Ų3845.4 Ų45.427%0.26628%0.284SS..EExtended strand (participates in β ladder)trans-91.9145.6173.1-60.80000110.4L528 V553L528-S541 PolarHBondContact N-O 3.2Å; S541-V553 CarbonylContact C-O 3.48Å; S541-V553 WeakPolarHBondContact CA-O 3.23Å
542A94.1Very high91.4Very high0 Ų047.5 Ų47.50%030%0.295CS..EExtended strand (participates in β ladder)trans-144.6154.8178.400000110.6I524 T526 L527 V553I524-A542 HydrophobicContact CG2-CB 4.32Å; T526-A542 CarbonylContact O-C 3.47Å; T526-A542 WeakPolarHBondContact O-CA 3.32Å; L527-A542 HydrophobicContact CD2-CB 3.92Å; A542-V553 HydrophobicContact CB-CG2 4.46Å; A542-V553 PolarHBondContact N-O 3.29Å; A542-V553 WeakPolarHBondContact O-CG2 3.35Å; A542-V553 PolarHBondContact O-N 2.83Å; A542-V553 VanDerWaalsContact O-O 3.13Å
543S94.1Very high91.5Very high13 Ų1344.7 Ų44.79%0.09128%0.278CS..EExtended strand (participates in β ladder)trans-100.1131.3165.6-157.50000108.9V525 T526 D552V525-S543 WeakPolarHBondContact CB-O 3.23Å; V525-S543 PolarHBondContact N-O 2.86Å; T526-S543 PolarHBondContact N-O 3.04Å; T526-S543 PolarHBondContact O-N 3.5Å; S543-D552 WeakPolarHBondContact CB-OD1 3.36Å; S543-D552 PolarHBondContact OG-OD1 3.49Å
544I95.2Very high91.8Very high0 Ų044.6 Ų44.60%027%0.273CS..EExtended strand (participates in β ladder)trans-118.2151.1-178.559.7164.2000111.6A522 F523 I524 Y550 L551 V553 M602 I604 V615A522-I544 HydrophobicContact CB-CB 4.49Å; A522-I544 HydrophobicContact CB-CD1 4.35Å; F523-I544 VanDerWaalsContact O-CA 3.27Å; F523-I544 WeakPolarHBondContact O-CA 3.48Å; F523-I544 WeakPolarHBondContact O-CB 3.41Å; I524-I544 HydrophobicContact CG1-CG2 4.11Å; I544-Y550 CarbonylContact O-C 3.55Å; I544-Y550 WeakPolarHBondContact O-CA 3.48Å; I544-L551 HydrophobicContact CG1-CB 4.22Å; I544-L551 VanDerWaalsContact CG1-O 3.25Å; I544-L551 WeakPolarHBondContact CG1-O 3.33Å; I544-L551 PolarHBondContact N-O 3.48Å; I544-L551 PolarHBondContact O-N 3.08Å; I544-V553 HydrophobicContact CB-CG2 4.48Å; I544-V553 HydrophobicContact CD1-CG1 3.87Å; I544-V553 HydrophobicContact CD1-CG2 4.16Å; I544-V553 HydrophobicContact CG1-CG1 4.03Å; I544-V553 HydrophobicContact CG1-CG2 3.96Å; I544-V553 HydrophobicContact CG2-CG2 3.78Å; I544-M602 HydrophobicContact CB-SD 4.3Å; I544-M602 HydrophobicContact CD1-SD 3.78Å; I544-M602 HydrophobicContact CG2-CE 4.07Å; I544-M602 HydrophobicContact CG2-SD 3.85Å; I544-I604 HydrophobicContact CD1-CD1 3.73Å; I544-I604 HydrophobicContact CD1-CG1 4.28Å; I544-V615 HydrophobicContact CD1-CG2 4.4Å
545S94.1Very high92.2Very high3 Ų341.6 Ų41.62%0.02125%0.252CS..EExtended strand (participates in β ladder)trans-137.2151.4174.6-172.90000112A522 F523 G547 G549A522-S545 CarbonylContact C-O 3.56Å; A522-S545 WeakPolarHBondContact CA-O 3.41Å; A522-S545 VanDerWaalsContact CB-O 3.31Å; A522-S545 WeakPolarHBondContact CB-O 3.4Å; F523-S545 WeakPolarHBondContact CD1-O 3.48Å; F523-S545 WeakPolarHBondContact CE1-O 3.18Å; F523-S545 PolarHBondContact N-O 3Å; F523-S545 PolarHBondContact O-N 2.92Å; S545-G547 PolarHBondContact OG-N 3.22Å; S545-G547 VanDerWaalsContact OG-N 3.11Å; S545-G549 WeakPolarHBondContact CA-O 3.35Å; S545-G549 WeakPolarHBondContact CB-O 3.37Å; S545-G549 PolarHBondContact OG-O 3.38Å
546D92.7Very high92.5Very high28 Ų2834.6 Ų34.615%0.1522%0.216CC..  trans-114.28.8169.271.9-16.9000112.4Y500 L501 K521 A522 T548 G549Y500-D546 WeakPolarHBondContact CA-OD2 3.24Å; L501-D546 HydrophobicContact CD1-CB 4.25Å; L501-D546 HydrophobicContact CG-CB 4.26Å; L501-D546 PolarHBondContact N-OD2 2.79Å; K521-D546 VanDerWaalsContact O-CB 3.25Å; K521-D546 WeakPolarHBondContact O-CB 3.4Å; A522-D546 HydrophobicContact CB-CB 4.48Å; D546-T548 VanDerWaalsContact C-N 3.29Å; D546-T548 VanDerWaalsContact CG-OG1 3.22Å; D546-T548 WeakPolarHBondContact OD1-CA 3.5Å; D546-T548 WeakPolarHBondContact OD1-CB 3.39Å; D546-T548 PolarHBondContact OD1-N 2.87Å; D546-T548 PolarHBondContact OD1-OG1 2.86Å; D546-T548 PolarHBondContact OD2-OG1 2.85Å; D546-G549 PolarHBondContact OD1-N 2.75Å
547G89.4Confident92.8Very high67 Ų6735 Ų3569%0.69121%0.207SC*.SBendtrans80.9-2.6-171.800000115.1S545S545-G547 PolarHBondContact OG-N 3.22Å; S545-G547 VanDerWaalsContact OG-N 3.11Å
548T88Confident92.9Very high59 Ų5938 Ų3836%0.36222%0.216SC..SBendtrans-108.2-17.5175.178.60000113.5Y500 L501 C502 D546Y500-T548 HydrophobicContact CD1-CG2 3.74Å; Y500-T548 HydrophobicContact CG-CG2 4.19Å; L501-T548 PolarHBondContact N-OG1 3.06Å; C502-T548 WeakPolarHBondContact CB-O 3.47Å; C502-T548 PolarHBondContact N-OG1 3.49Å; C502-T548 VanDerWaalsContact N-OG1 3.1Å; D546-T548 VanDerWaalsContact C-N 3.29Å; D546-T548 VanDerWaalsContact CG-OG1 3.22Å; D546-T548 WeakPolarHBondContact OD1-CA 3.5Å; D546-T548 WeakPolarHBondContact OD1-CB 3.39Å; D546-T548 PolarHBondContact OD1-N 2.87Å; D546-T548 PolarHBondContact OD1-OG1 2.86Å; D546-T548 PolarHBondContact OD2-OG1 2.85Å
549G87.6Confident93Very high20 Ų2038.5 Ų38.521%0.20622%0.22CC..  trans-172.8-169.5176.800000111.6S545 D546S545-G549 WeakPolarHBondContact CA-O 3.35Å; S545-G549 WeakPolarHBondContact CB-O 3.37Å; S545-G549 PolarHBondContact OG-O 3.38Å; D546-G549 PolarHBondContact OD1-N 2.75Å
550Y91.2Very high93.2Very high165 Ų16537.7 Ų37.765%0.64721%0.214SC*.EExtended strand (participates in β ladder)trans-128.3150.2175.3-64.7-93.4000109.1V525 I544V525-Y550 HydrophobicContact CG1-CE1 4.23Å; V525-Y550 HydrophobicContact CG2-CD1 4.1Å; V525-Y550 HydrophobicContact CG2-CE1 3.97Å; I544-Y550 CarbonylContact O-C 3.55Å; I544-Y550 WeakPolarHBondContact O-CA 3.48Å
551L90.1Very high93.3Very high29 Ų2939.2 Ų39.215%0.15222%0.223CC..EExtended strand (participates in β ladder)trans-146.4129.1172.7-17668.3000110.2L501 L504 I544 V553 I604 A613L501-L551 HydrophobicContact CD1-CB 4.48Å; L501-L551 HydrophobicContact CD2-CB 4.13Å; L501-L551 HydrophobicContact CD2-CD2 4.25Å; L504-L551 HydrophobicContact CD2-CD2 4Å; I544-L551 HydrophobicContact CG1-CB 4.22Å; I544-L551 VanDerWaalsContact CG1-O 3.25Å; I544-L551 WeakPolarHBondContact CG1-O 3.33Å; I544-L551 PolarHBondContact N-O 3.48Å; I544-L551 PolarHBondContact O-N 3.08Å; L551-V553 HydrophobicContact CD2-CG1 3.87Å; L551-V553 HydrophobicContact CG-CG1 3.93Å; L551-I604 HydrophobicContact CD2-CD1 4.1Å; L551-I604 HydrophobicContact CD2-CG2 4.04Å; L551-A613 HydrophobicContact CD2-CB 3.95Å; L551-A613 HydrophobicContact CG-CB 4.37Å
552D93.1Very high93.4Very high97 Ų9740.3 Ų40.352%0.51924%0.24SC..EExtended strand (participates in β ladder)trans-82.5129.6172-65.5-13.6000109.9L528 S543L528-D552 HydrophobicContact CD1-CB 3.83Å; S543-D552 WeakPolarHBondContact CB-OD1 3.36Å; S543-D552 PolarHBondContact OG-OD1 3.49Å
553V93.5Very high93.3Very high5 Ų541.3 Ų41.33%0.0325%0.246CC..EExtended strand (participates in β ladder)trans-137.6149.2-170.5-66.40000111.9S541 A542 I544 L551 L555 A613 V615S541-V553 CarbonylContact C-O 3.48Å; S541-V553 WeakPolarHBondContact CA-O 3.23Å; A542-V553 HydrophobicContact CB-CG2 4.46Å; A542-V553 PolarHBondContact N-O 3.29Å; A542-V553 WeakPolarHBondContact O-CG2 3.35Å; A542-V553 PolarHBondContact O-N 2.83Å; A542-V553 VanDerWaalsContact O-O 3.13Å; I544-V553 HydrophobicContact CB-CG2 4.48Å; I544-V553 HydrophobicContact CD1-CG1 3.87Å; I544-V553 HydrophobicContact CD1-CG2 4.16Å; I544-V553 HydrophobicContact CG1-CG1 4.03Å; I544-V553 HydrophobicContact CG1-CG2 3.96Å; I544-V553 HydrophobicContact CG2-CG2 3.78Å; L551-V553 HydrophobicContact CD2-CG1 3.87Å; L551-V553 HydrophobicContact CG-CG1 3.93Å; V553-L555 HydrophobicContact CG2-CD2 4.4Å; V553-A613 CarbonylContact C-O 3.51Å; V553-A613 VanDerWaalsContact CA-O 3.3Å; V553-A613 WeakPolarHBondContact CA-O 3.29Å; V553-A613 HydrophobicContact CG1-CB 4.03Å; V553-V615 HydrophobicContact CB-CG2 3.93Å; V553-V615 HydrophobicContact CG1-CG2 4.18Å; V553-V615 HydrophobicContact CG2-CG2 3.72Å
554E94.5Very high93.4Very high41 Ų4140.8 Ų40.819%0.19224%0.242CC..EExtended strand (participates in β ladder)trans-92.4131.7163.4-173.1169.8-176.900109.3S539 R612 A613 V614 V615S539-E554 WeakPolarHBondContact CB-OE1 3.46Å; S539-E554 PolarHBondContact OG-OE1 2.63Å; E554-R612 IonicContact OE2-CZ 3.15Å; E554-R612 IonicContact OE2-NH1 2.82Å; E554-R612 PolarHBondContact OE2-NH1 2.89Å; E554-R612 IonicContact OE2-NH2 2.7Å; E554-R612 PolarHBondContact OE2-NH2 3.39Å; E554-A613 PolarHBondContact N-O 3.28Å; E554-V614 HydrophobicContact CB-CG2 4.49Å; E554-V614 CarbonylContact O-C 3.58Å; E554-V614 VanDerWaalsContact O-CA 3.29Å; E554-V614 WeakPolarHBondContact O-CA 3.23Å; E554-V614 WeakPolarHBondContact O-CG1 3.45Å; E554-V615 PolarHBondContact O-N 2.82Å
555L95.3Very high93.3Very high2 Ų243.3 Ų43.31%0.0127%0.268CS..EExtended strand (participates in β ladder)trans-80.2130.4174.1-58.4-172.4000109.6I524 V540 V553 L560 L595 V615I524-L555 HydrophobicContact CD1-CD1 4.17Å; V540-L555 HydrophobicContact CG1-CB 4.12Å; V540-L555 HydrophobicContact CG1-CD1 3.8Å; V540-L555 HydrophobicContact CG1-CG 4.08Å; V540-L555 PolarHBondContact O-N 3.12Å; V553-L555 HydrophobicContact CG2-CD2 4.4Å; L555-L560 HydrophobicContact CB-CD1 4.19Å; L555-L560 HydrophobicContact CB-CD2 4.15Å; L555-L560 HydrophobicContact CB-CG 4.07Å; L555-L560 HydrophobicContact CD1-CD2 4.19Å; L555-L595 HydrophobicContact CD1-CD2 3.47Å; L555-L595 VanDerWaalsContact CD1-CD2 3.47Å; L555-V615 HydrophobicContact CD2-CB 3.78Å; L555-V615 HydrophobicContact CD2-CG1 4.35Å; L555-V615 HydrophobicContact CD2-CG2 3.87Å
556S94.9Very high93.4Very high19 Ų1943.7 Ų43.713%0.13327%0.27CS..PPolyproline II helixtrans-67.6153.7-176.581.80000112.7E558 V559 L560 V615 A616S556-E558 PolarHBondContact O-N 2.95Å; S556-E558 PolarHBondContact OG-N 2.9Å; S556-V559 WeakPolarHBondContact O-CB 3.25Å; S556-V559 PolarHBondContact O-N 3.3Å; S556-V559 VanDerWaalsContact O-N 3.08Å; S556-V559 WeakPolarHBondContact OG-CG2 3.27Å; S556-V559 PolarHBondContact OG-N 3.03Å; S556-V559 VanDerWaalsContact OG-N 3.13Å; S556-L560 WeakPolarHBondContact O-CG 3.45Å; S556-L560 PolarHBondContact O-N 3.04Å; S556-V615 VanDerWaalsContact CB-O 3.26Å; S556-V615 WeakPolarHBondContact CB-O 3.5Å; S556-V615 PolarHBondContact N-O 2.58Å; S556-V615 VanDerWaalsContact N-O 3.08Å; S556-V615 PolarHBondContact OG-O 3.06Å; S556-A616 PolarHBondContact OG-O 2.84Å
557N95.6Very high93.5Very high57 Ų5743.8 Ų43.831%0.30527%0.273SS..Hα-helixtrans-58-29.5170.8179.968.3000113.2V537 W538 T561V537-N557 HydrophobicContact CG1-CB 3.58Å; W538-N557 PolarHBondContact N-OD1 3.08Å; N557-T561 WeakPolarHBondContact O-CB 3.38Å; N557-T561 PolarHBondContact O-N 3.13Å; N557-T561 PolarHBondContact O-OG1 3.49Å
558E95.8Very high93.7Very high130 Ų13041.1 Ų41.161%0.60724%0.243SC*.Hα-helixtrans-64.8-46.4173.9-172.5-176159.400110.4S556 G562S556-E558 PolarHBondContact O-N 2.95Å; S556-E558 PolarHBondContact OG-N 2.9Å; E558-G562 PolarHBondContact O-N 3.02Å; E558-G562 VanDerWaalsContact O-N 3.12Å
559V95.7Very high93.9Very high14 Ų1441.6 Ų41.69%0.08525%0.252CS..Hα-helixtrans-63.4-51.8175.7170.80000110.9S556 T561 G562 L563 A618S556-V559 WeakPolarHBondContact O-CB 3.25Å; S556-V559 PolarHBondContact O-N 3.3Å; S556-V559 VanDerWaalsContact O-N 3.08Å; S556-V559 WeakPolarHBondContact OG-CG2 3.27Å; S556-V559 PolarHBondContact OG-N 3.03Å; S556-V559 VanDerWaalsContact OG-N 3.13Å; V559-T561 PolarHBondContact O-N 3.42Å; V559-G562 PolarHBondContact O-N 2.87Å; V559-G562 VanDerWaalsContact O-N 3.13Å; V559-L563 HydrophobicContact CG1-CD1 3.88Å; V559-L563 HydrophobicContact CG1-CG 4.49Å; V559-L563 WeakPolarHBondContact O-CG 3.49Å; V559-L563 PolarHBondContact O-N 3.48Å; V559-A618 HydrophobicContact CG1-CB 4.18Å; V559-A618 HydrophobicContact CG2-CB 4.21Å
560L96.1Very high94.1Very high0 Ų045.4 Ų45.40%027%0.265CS..Hα-helixtrans-66-40.6-175.7-66.7169.7000112.6L531 W538 V540 L555 S556 G562 L563 L564L531-L560 HydrophobicContact CD1-CD1 4.09Å; L531-L560 HydrophobicContact CD1-CD2 4.18Å; W538-L560 HydrophobicContact CB-CB 3.67Å; W538-L560 HydrophobicContact CB-CD1 3.84Å; W538-L560 HydrophobicContact CB-CG 4.42Å; W538-L560 HydrophobicContact CG-CB 4.31Å; V540-L560 HydrophobicContact CG1-CD1 4.11Å; V540-L560 HydrophobicContact CG1-CD2 3.79Å; L555-L560 HydrophobicContact CB-CD1 4.19Å; L555-L560 HydrophobicContact CB-CD2 4.15Å; L555-L560 HydrophobicContact CB-CG 4.07Å; L555-L560 HydrophobicContact CD1-CD2 4.19Å; S556-L560 WeakPolarHBondContact O-CG 3.45Å; S556-L560 PolarHBondContact O-N 3.04Å; L560-G562 VanDerWaalsContact C-N 3.28Å; L560-G562 PolarHBondContact O-N 3.28Å; L560-L563 HydrophobicContact CD2-CD1 4.39Å; L560-L563 PolarHBondContact O-N 3.05Å; L560-L564 WeakPolarHBondContact O-CB 3.32Å; L560-L564 WeakPolarHBondContact O-CD1 3.5Å; L560-L564 WeakPolarHBondContact O-CG 3.26Å; L560-L564 PolarHBondContact O-N 2.98Å
561T95.4Very high94.1Very high36 Ų3639.5 Ų39.522%0.22124%0.242CC..Hα-helixtrans-61-38.9172.6-59.40000111.1N557 V559 G565 F566N557-T561 WeakPolarHBondContact O-CB 3.38Å; N557-T561 PolarHBondContact O-N 3.13Å; N557-T561 PolarHBondContact O-OG1 3.49Å; V559-T561 PolarHBondContact O-N 3.42Å; T561-G565 WeakPolarHBondContact O-CA 3.18Å; T561-G565 PolarHBondContact O-N 3.12Å; T561-F566 PolarHBondContact O-N 2.99Å
562G94.2Very high94Very high61 Ų6141.5 Ų41.563%0.62926%0.256SS*.Hα-helixtrans-65.3-37.9176.600000114.1E558 V559 L560E558-G562 PolarHBondContact O-N 3.02Å; E558-G562 VanDerWaalsContact O-N 3.12Å; V559-G562 PolarHBondContact O-N 2.87Å; V559-G562 VanDerWaalsContact O-N 3.13Å; L560-G562 VanDerWaalsContact C-N 3.28Å; L560-G562 PolarHBondContact O-N 3.28Å
563L93.6Very high93.8Very high22 Ų2239.3 Ų39.312%0.11525%0.252CS..Hα-helixtrans-72.2-48178.4-64.8165.9000112V559 L560 C591 E594 L595 M598V559-L563 HydrophobicContact CG1-CD1 3.88Å; V559-L563 HydrophobicContact CG1-CG 4.49Å; V559-L563 WeakPolarHBondContact O-CG 3.49Å; V559-L563 PolarHBondContact O-N 3.48Å; L560-L563 HydrophobicContact CD2-CD1 4.39Å; L560-L563 PolarHBondContact O-N 3.05Å; L563-C591 HydrophobicContact CB-CB 4.22Å; L563-E594 HydrophobicContact CD2-CB 3.76Å; L563-E594 HydrophobicContact CD2-CG 4.36Å; L563-L595 HydrophobicContact CD1-CD2 3.99Å; L563-L595 HydrophobicContact CD1-CG 4.28Å; L563-M598 HydrophobicContact CD1-CE 3.88Å; L563-M598 HydrophobicContact CD2-CE 3.93Å
564L94.6Very high93.6Very high1 Ų139.3 Ų39.31%0.00525%0.252CS..Hα-helixtrans-66.2-38.2177.7-68.1162.4000111.8L531 W538 L560 F566 G587 M588 R590 C591L531-L564 HydrophobicContact CD2-CD1 4.25Å; L531-L564 HydrophobicContact CD2-CD2 4.2Å; W538-L564 HydrophobicContact CD2-CD1 3.58Å; W538-L564 HydrophobicContact CE3-CD1 4.06Å; W538-L564 HydrophobicContact CG-CD1 3.99Å; W538-L564 HydrophobicContact CH2-CD1 4.03Å; W538-L564 HydrophobicContact CZ2-CD1 3.59Å; W538-L564 HydrophobicContact CZ3-CD1 4.26Å; L560-L564 WeakPolarHBondContact O-CB 3.32Å; L560-L564 WeakPolarHBondContact O-CD1 3.5Å; L560-L564 WeakPolarHBondContact O-CG 3.26Å; L560-L564 PolarHBondContact O-N 2.98Å; L564-F566 HydrophobicContact CB-CD2 4.12Å; L564-F566 HydrophobicContact CB-CE1 4.37Å; L564-F566 HydrophobicContact CB-CE2 3.91Å; L564-F566 HydrophobicContact CB-CG 4.41Å; L564-F566 HydrophobicContact CB-CZ 4.03Å; L564-F566 HydrophobicContact CD1-CE2 4.28Å; L564-F566 HydrophobicContact CD2-CE2 4.06Å; L564-F566 HydrophobicContact CD2-CZ 3.97Å; L564-F566 HydrophobicContact CG-CE2 4.32Å; L564-G587 VanDerWaalsContact O-CA 3.26Å; L564-G587 WeakPolarHBondContact O-CA 3.26Å; L564-M588 HydrophobicContact CD2-CE 4.25Å; L564-M588 HydrophobicContact CD2-SD 4Å; L564-R590 PolarHBondContact O-NH1 2.8Å; L564-C591 HydrophobicContact CD2-CB 3.51Å; L564-C591 HydrophobicContact CG-CB 3.92Å
565G94.8Very high93.2Very high54 Ų5443.6 Ų43.656%0.55727%0.269SS*.SBendtrans82.311-170.400000114T561T561-G565 WeakPolarHBondContact O-CA 3.18Å; T561-G565 PolarHBondContact O-N 3.12Å
566F94.3Very high92.9Very high11 Ų1153.6 Ų53.65%0.04831%0.307CS..SBendtrans-153.1146.9176.649.6-105.6000112.5W538 T561 L564 E570 K571 L574 L584W538-F566 HydrophobicContact CH2-CE2 4.29Å; W538-F566 AromaticContact CZ2-CD2 3.97Å; W538-F566 HydrophobicContact CZ2-CD2 3.97Å; W538-F566 AromaticContact CZ2-CE2 3.73Å; W538-F566 HydrophobicContact CZ2-CE2 3.73Å; W538-F566 PolarHBondContact NE1-O 2.91Å; T561-F566 PolarHBondContact O-N 2.99Å; L564-F566 HydrophobicContact CB-CD2 4.12Å; L564-F566 HydrophobicContact CB-CE1 4.37Å; L564-F566 HydrophobicContact CB-CE2 3.91Å; L564-F566 HydrophobicContact CB-CG 4.41Å; L564-F566 HydrophobicContact CB-CZ 4.03Å; L564-F566 HydrophobicContact CD1-CE2 4.28Å; L564-F566 HydrophobicContact CD2-CE2 4.06Å; L564-F566 HydrophobicContact CD2-CZ 3.97Å; L564-F566 HydrophobicContact CG-CE2 4.32Å; F566-E570 HydrophobicContact CB-CB 3.92Å; F566-K571 HydrophobicContact CD2-CB 4.28Å; F566-K571 HydrophobicContact CE2-CB 4.47Å; F566-L574 HydrophobicContact CB-CD1 4.21Å; F566-L574 HydrophobicContact CD1-CD1 3.87Å; F566-L574 HydrophobicContact CE1-CD1 4.43Å; F566-L574 HydrophobicContact CG-CD1 4.01Å; F566-L584 HydrophobicContact CE1-CD1 4.22Å; F566-L584 HydrophobicContact CE2-CD1 3.79Å; F566-L584 HydrophobicContact CZ-CD1 3.64Å
567S95.1Very high92.5Very high30 Ų3055.3 Ų55.321%0.2132%0.315CS..  trans-75.6171.2172650000112.6A569 E570 K571S567-A569 VanDerWaalsContact C-N 3.27Å; S567-A569 PolarHBondContact O-N 3.14Å; S567-E570 VanDerWaalsContact CB-OE2 3.23Å; S567-E570 WeakPolarHBondContact CB-OE2 3.25Å; S567-E570 PolarHBondContact N-OE2 2.71Å; S567-E570 PolarHBondContact O-N 3.49Å; S567-E570 WeakPolarHBondContact OG-CG 3.13Å; S567-E570 PolarHBondContact OG-N 3.38Å; S567-E570 PolarHBondContact OG-OE2 3.48Å; S567-K571 WeakPolarHBondContact O-CB 3.35Å; S567-K571 PolarHBondContact O-N 3.4Å
568V93.9Very high92.1Very high11 Ų1158.2 Ų58.27%0.06734%0.337CS..Hα-helixtrans-63.5-33.9172.2-1790000111.7G536 W538 K571 T572G536-V568 WeakPolarHBondContact O-CB 3.4Å; W538-V568 HydrophobicContact CD2-CG2 3.65Å; W538-V568 HydrophobicContact CE3-CG2 4.32Å; W538-V568 HydrophobicContact CG-CG2 3.73Å; W538-V568 HydrophobicContact CZ2-CG2 4.3Å; V568-K571 WeakPolarHBondContact O-CB 3.37Å; V568-K571 PolarHBondContact O-N 3.13Å; V568-T572 PolarHBondContact O-N 2.95Å
569A91.8Very high91.7Very high68 Ų6857 Ų5756%0.56234%0.343SS*.Hα-helixtrans-62.6-48.7174.400000110.7S567 K571 T572 A573S567-A569 VanDerWaalsContact C-N 3.27Å; S567-A569 PolarHBondContact O-N 3.14Å; A569-K571 PolarHBondContact O-N 2.76Å; A569-T572 PolarHBondContact O-N 3.18Å; A569-T572 VanDerWaalsContact O-N 3.12Å; A569-T572 PolarHBondContact O-OG1 3.32Å; A569-A573 PolarHBondContact O-N 3.15Å
570E93.3Very high91.3Very high101 Ų10161.2 Ų61.247%0.47236%0.357SS..Hα-helixtrans-65.2-36.4178.1-70.9159.7123.100112.4F566 S567 T572 A573 L574F566-E570 HydrophobicContact CB-CB 3.92Å; S567-E570 VanDerWaalsContact CB-OE2 3.23Å; S567-E570 WeakPolarHBondContact CB-OE2 3.25Å; S567-E570 PolarHBondContact N-OE2 2.71Å; S567-E570 PolarHBondContact O-N 3.49Å; S567-E570 WeakPolarHBondContact OG-CG 3.13Å; S567-E570 PolarHBondContact OG-N 3.38Å; S567-E570 PolarHBondContact OG-OE2 3.48Å; E570-T572 VanDerWaalsContact C-N 3.26Å; E570-T572 PolarHBondContact O-N 3.49Å; E570-A573 PolarHBondContact O-N 3.06Å; E570-A573 VanDerWaalsContact O-N 3.09Å; E570-L574 WeakPolarHBondContact O-CB 3.5Å; E570-L574 WeakPolarHBondContact O-CG 3.33Å; E570-L574 PolarHBondContact O-N 3.12Å
571K91.6Very high90.8Very high40 Ų4067 Ų6717%0.17438%0.379CS..Hα-helixtrans-51-44169.7-179.4-154.1-170.61640111.9S533 W538 F566 S567 V568 A569 K575 L584S533-K571 PolarHBondContact OG-NZ 3.26Å; W538-K571 HydrophobicContact CH2-CB 4.47Å; W538-K571 HydrophobicContact CH2-CD 3.46Å; W538-K571 VanDerWaalsContact CH2-CD 3.46Å; W538-K571 HydrophobicContact CH2-CG 4.06Å; W538-K571 HydrophobicContact CZ2-CB 4.03Å; W538-K571 HydrophobicContact CZ2-CD 3.8Å; W538-K571 HydrophobicContact CZ2-CG 4.13Å; W538-K571 HydrophobicContact CZ3-CD 4.33Å; F566-K571 HydrophobicContact CD2-CB 4.28Å; F566-K571 HydrophobicContact CE2-CB 4.47Å; S567-K571 WeakPolarHBondContact O-CB 3.35Å; S567-K571 PolarHBondContact O-N 3.4Å; V568-K571 WeakPolarHBondContact O-CB 3.37Å; V568-K571 PolarHBondContact O-N 3.13Å; A569-K571 PolarHBondContact O-N 2.76Å; K571-K575 WeakPolarHBondContact O-CB 3.41Å; K571-K575 PolarHBondContact O-N 2.92Å; K571-L584 HydrophobicContact CB-CD1 4.38Å; K571-L584 HydrophobicContact CG-CD1 3.89Å
572T88.1Confident90.4Very high71 Ų7167.4 Ų67.444%0.43639%0.39SS..Hα-helixtrans-70.8-33.6179.170.10000112.7V568 A569 E570 R576V568-T572 PolarHBondContact O-N 2.95Å; A569-T572 PolarHBondContact O-N 3.18Å; A569-T572 VanDerWaalsContact O-N 3.12Å; A569-T572 PolarHBondContact O-OG1 3.32Å; E570-T572 VanDerWaalsContact C-N 3.26Å; E570-T572 PolarHBondContact O-N 3.49Å; T572-R576 VanDerWaalsContact O-CG 3.31Å; T572-R576 WeakPolarHBondContact O-CG 3.43Å; T572-R576 PolarHBondContact O-N 2.82Å
573A88.4Confident90.2Very high52 Ų5269 Ų6943%0.4338%0.382SS..Hα-helixtrans-69.8-45.517400000111.8A569 E570 K575 R576 D577A569-A573 PolarHBondContact O-N 3.15Å; E570-A573 PolarHBondContact O-N 3.06Å; E570-A573 VanDerWaalsContact O-N 3.09Å; A573-K575 PolarHBondContact O-N 3.48Å; A573-R576 PolarHBondContact O-N 2.62Å; A573-R576 VanDerWaalsContact O-N 3.1Å; A573-D577 PolarHBondContact O-N 2.78Å
574L88.8Confident89.9Confident5 Ų568.7 Ų68.73%0.02638%0.38CS..Hα-helixtrans-61.7-40.7175.6-70.3171000112.2F566 E570 R576 D577 R580 E583 L584F566-L574 HydrophobicContact CB-CD1 4.21Å; F566-L574 HydrophobicContact CD1-CD1 3.87Å; F566-L574 HydrophobicContact CE1-CD1 4.43Å; F566-L574 HydrophobicContact CG-CD1 4.01Å; E570-L574 WeakPolarHBondContact O-CB 3.5Å; E570-L574 WeakPolarHBondContact O-CG 3.33Å; E570-L574 PolarHBondContact O-N 3.12Å; L574-R576 PolarHBondContact O-N 3.06Å; L574-D577 PolarHBondContact O-N 3.47Å; L574-R580 HydrophobicContact CD2-CB 3.77Å; L574-E583 HydrophobicContact CD2-CB 4.13Å; L574-L584 HydrophobicContact CB-CB 4.19Å; L574-L584 HydrophobicContact CB-CD1 4.47Å; L574-L584 HydrophobicContact CD1-CB 4.38Å; L574-L584 HydrophobicContact CD1-CD1 4.43Å
575K86.6Confident89.6Confident130 Ų13072 Ų7257%0.56540%0.397SS*.Hα-helixtrans-64.7-23.8175.1-169.7-179.7177.3-172.60112.5K571 A573 L584K571-K575 WeakPolarHBondContact O-CB 3.41Å; K571-K575 PolarHBondContact O-N 2.92Å; A573-K575 PolarHBondContact O-N 3.48Å; K575-L584 HydrophobicContact CB-CD2 4.46Å
576R88.4Confident89.4Confident212 Ų21272.6 Ų72.680%0.839%0.393SS*.Hα-helixtrans-88.1-13.7178.2-74.8173175172.7-0.6114.2T572 A573 L574T572-R576 VanDerWaalsContact O-CG 3.31Å; T572-R576 WeakPolarHBondContact O-CG 3.43Å; T572-R576 PolarHBondContact O-N 2.82Å; A573-R576 PolarHBondContact O-N 2.62Å; A573-R576 VanDerWaalsContact O-N 3.1Å; L574-R576 PolarHBondContact O-N 3.06Å
577D87.7Confident89.3Confident56 Ų5672.1 Ų72.130%0.29939%0.392SS..  trans-111.4102.6178.7-175.7-16.6000110.9A573 L574 S579 R580 R581A573-D577 PolarHBondContact O-N 2.78Å; L574-D577 PolarHBondContact O-N 3.47Å; D577-S579 PolarHBondContact O-N 3.06Å; D577-S579 VanDerWaalsContact O-N 3.12Å; D577-S579 WeakPolarHBondContact OD1-CB 3.38Å; D577-S579 PolarHBondContact OD1-N 2.85Å; D577-S579 PolarHBondContact OD1-OG 2.64Å; D577-S579 PolarHBondContact OD2-OG 3.13Å; D577-R580 HydrophobicContact CB-CB 4.22Å; D577-R580 HydrophobicContact CB-CG 4.36Å; D577-R580 PolarHBondContact O-N 3.29Å; D577-R580 VanDerWaalsContact OD2-CD 3.24Å; D577-R580 WeakPolarHBondContact OD2-CD 3.43Å; D577-R580 WeakPolarHBondContact OD2-CG 3.5Å; D577-R581 PolarHBondContact O-N 2.9Å
578P85.3Confident89Confident118 Ų11874 Ų7477%0.76640%0.398SS*.THydrogen-bonded Turntrans-58.4-26.4-179.9-25.435000114.2R580P578-R580 VanDerWaalsContact C-N 3.31Å
579S88.6Confident88.7Confident105 Ų10580.6 Ų80.673%0.73442%0.422SS*.THydrogen-bonded Turntrans-74.4-24.118074.30000112.9D577D577-S579 PolarHBondContact O-N 3.06Å; D577-S579 VanDerWaalsContact O-N 3.12Å; D577-S579 WeakPolarHBondContact OD1-CB 3.38Å; D577-S579 PolarHBondContact OD1-N 2.85Å; D577-S579 PolarHBondContact OD1-OG 2.64Å; D577-S579 PolarHBondContact OD2-OG 3.13Å
580R86.4Confident88.7Confident101 Ų10182.7 Ų82.738%0.38142%0.415SS..THydrogen-bonded Turntrans-103.22.3-178.1-60.5-173.666.3-154.2-5.2113.5L574 D577 P578 G582 E583L574-R580 HydrophobicContact CD2-CB 3.77Å; D577-R580 HydrophobicContact CB-CB 4.22Å; D577-R580 HydrophobicContact CB-CG 4.36Å; D577-R580 PolarHBondContact O-N 3.29Å; D577-R580 VanDerWaalsContact OD2-CD 3.24Å; D577-R580 WeakPolarHBondContact OD2-CD 3.43Å; D577-R580 WeakPolarHBondContact OD2-CG 3.5Å; P578-R580 VanDerWaalsContact C-N 3.31Å; R580-G582 PolarHBondContact O-N 2.95Å; R580-E583 WeakPolarHBondContact CB-OE1 3.26Å; R580-E583 WeakPolarHBondContact CG-OE1 3.47Å; R580-E583 IonicContact CZ-OE1 2.76Å; R580-E583 IonicContact CZ-OE2 3.51Å; R580-E583 IonicContact NE-OE1 3.87Å; R580-E583 PolarHBondContact NE-OE1 3.37Å; R580-E583 IonicContact NE-OE2 3.48Å; R580-E583 IonicContact NH2-OE1 3.88Å; R580-E583 PolarHBondContact NH2-OE1 3.08Å; R580-E583 IonicContact NH2-OE2 3.54Å; R580-E583 PolarHBondContact NH2-OE2 3.27Å; R580-E583 VanDerWaalsContact O-CB 3.31Å; R580-E583 WeakPolarHBondContact O-CB 3.37Å; R580-E583 PolarHBondContact O-N 2.94Å
581R85.5Confident88.5Confident121 Ų12178 Ų7846%0.45739%0.393SS..Hα-helixtrans-55.1-36180-179.658.6-162.9-97.7-2.5113D577 E583 L584 D585D577-R581 PolarHBondContact O-N 2.9Å; R581-E583 PolarHBondContact O-N 3.05Å; R581-L584 WeakPolarHBondContact O-CB 3.36Å; R581-L584 PolarHBondContact O-N 3.47Å; R581-L584 VanDerWaalsContact O-N 3.13Å; R581-D585 WeakPolarHBondContact CG-OD2 3.43Å; R581-D585 IonicContact CZ-OD1 2.91Å; R581-D585 VanDerWaalsContact CZ-OD1 3.32Å; R581-D585 IonicContact CZ-OD2 3.15Å; R581-D585 IonicContact NE-OD1 3.28Å; R581-D585 PolarHBondContact NE-OD1 2.81Å; R581-D585 IonicContact NE-OD2 3.32Å; R581-D585 PolarHBondContact NE-OD2 2.93Å; R581-D585 VanDerWaalsContact NE-OD2 3.15Å; R581-D585 IonicContact NH2-OD1 2.81Å; R581-D585 PolarHBondContact NH2-OD1 2.94Å; R581-D585 IonicContact NH2-OD2 3.96Å; R581-D585 PolarHBondContact O-N 2.85Å; R581-D585 VanDerWaalsContact O-N 3.12Å
582G86.8Confident88.2Confident45 Ų4579.6 Ų79.646%0.46440%0.401SS..Hα-helixtrans-62.3-24.917500000114.8R580 S586R580-G582 PolarHBondContact O-N 2.95Å; G582-S586 WeakPolarHBondContact O-CB 3.24Å; G582-S586 PolarHBondContact O-N 2.83Å; G582-S586 PolarHBondContact O-OG 3.02Å
583E90.5Very high88.1Confident95 Ų9581.8 Ų81.844%0.44441%0.407SS..Hα-helixtrans-69.1-43.7172.9-60.9173.8-134.100110.9L574 R580 R581 S586 G587L574-E583 HydrophobicContact CD2-CB 4.13Å; R580-E583 WeakPolarHBondContact CB-OE1 3.26Å; R580-E583 WeakPolarHBondContact CG-OE1 3.47Å; R580-E583 IonicContact CZ-OE1 2.76Å; R580-E583 IonicContact CZ-OE2 3.51Å; R580-E583 IonicContact NE-OE1 3.87Å; R580-E583 PolarHBondContact NE-OE1 3.37Å; R580-E583 IonicContact NE-OE2 3.48Å; R580-E583 IonicContact NH2-OE1 3.88Å; R580-E583 PolarHBondContact NH2-OE1 3.08Å; R580-E583 IonicContact NH2-OE2 3.54Å; R580-E583 PolarHBondContact NH2-OE2 3.27Å; R580-E583 VanDerWaalsContact O-CB 3.31Å; R580-E583 WeakPolarHBondContact O-CB 3.37Å; R580-E583 PolarHBondContact O-N 2.94Å; R581-E583 PolarHBondContact O-N 3.05Å; E583-S586 PolarHBondContact O-N 3.45Å; E583-G587 PolarHBondContact O-N 2.93Å
584L88.6Confident88.2Confident15 Ų1584.5 Ų84.58%0.07941%0.41CS..Hα-helixtrans-60.8-51.5178-179.771.3000110.9F566 K571 L574 K575 R581 S586 G587 M588F566-L584 HydrophobicContact CE1-CD1 4.22Å; F566-L584 HydrophobicContact CE2-CD1 3.79Å; F566-L584 HydrophobicContact CZ-CD1 3.64Å; K571-L584 HydrophobicContact CB-CD1 4.38Å; K571-L584 HydrophobicContact CG-CD1 3.89Å; L574-L584 HydrophobicContact CB-CB 4.19Å; L574-L584 HydrophobicContact CB-CD1 4.47Å; L574-L584 HydrophobicContact CD1-CB 4.38Å; L574-L584 HydrophobicContact CD1-CD1 4.43Å; K575-L584 HydrophobicContact CB-CD2 4.46Å; R581-L584 WeakPolarHBondContact O-CB 3.36Å; R581-L584 PolarHBondContact O-N 3.47Å; R581-L584 VanDerWaalsContact O-N 3.13Å; L584-S586 VanDerWaalsContact C-N 3.35Å; L584-S586 PolarHBondContact O-N 2.62Å; L584-G587 PolarHBondContact O-N 3.13Å; L584-M588 WeakPolarHBondContact O-CB 3.35Å; L584-M588 PolarHBondContact O-N 3.36Å
585D86.9Confident88.3Confident70 Ų7084.9 Ų84.937%0.37441%0.413SS..Hα-helixtrans-67.6-36.4-177.4-55.8-34.9000111.1R581 R589R581-D585 WeakPolarHBondContact CG-OD2 3.43Å; R581-D585 IonicContact CZ-OD1 2.91Å; R581-D585 VanDerWaalsContact CZ-OD1 3.32Å; R581-D585 IonicContact CZ-OD2 3.15Å; R581-D585 IonicContact NE-OD1 3.28Å; R581-D585 PolarHBondContact NE-OD1 2.81Å; R581-D585 IonicContact NE-OD2 3.32Å; R581-D585 PolarHBondContact NE-OD2 2.93Å; R581-D585 VanDerWaalsContact NE-OD2 3.15Å; R581-D585 IonicContact NH2-OD1 2.81Å; R581-D585 PolarHBondContact NH2-OD1 2.94Å; R581-D585 IonicContact NH2-OD2 3.96Å; R581-D585 PolarHBondContact O-N 2.85Å; R581-D585 VanDerWaalsContact O-N 3.12Å; D585-R589 PolarHBondContact O-N 2.92Å
586S90.9Very high88.1Confident68 Ų6884.5 Ų84.548%0.47642%0.421SS..Hα-helixtrans-67.7-40.3175.2-62.10000113.1G582 E583 L584 R590G582-S586 WeakPolarHBondContact O-CB 3.24Å; G582-S586 PolarHBondContact O-N 2.83Å; G582-S586 PolarHBondContact O-OG 3.02Å; E583-S586 PolarHBondContact O-N 3.45Å; L584-S586 VanDerWaalsContact C-N 3.35Å; L584-S586 PolarHBondContact O-N 2.62Å; S586-R590 WeakPolarHBondContact O-CB 3.47Å; S586-R590 PolarHBondContact O-N 2.9Å
587G91.6Very high87.8Confident1 Ų178.7 Ų78.71%0.0141%0.405CS..Hα-helixtrans-70.4-35.6176.600000112.6L564 E583 L584 R590 C591L564-G587 VanDerWaalsContact O-CA 3.26Å; L564-G587 WeakPolarHBondContact O-CA 3.26Å; E583-G587 PolarHBondContact O-N 2.93Å; L584-G587 PolarHBondContact O-N 3.13Å; G587-R590 PolarHBondContact O-N 3.23Å; G587-C591 WeakPolarHBondContact O-CB 3.36Å; G587-C591 PolarHBondContact O-N 3.39Å
588M89.7Confident87.8Confident70 Ų7076.8 Ų76.835%0.34540%0.395SS..Hα-helixtrans-61.8-48172.7-165.463.665.600111.3L531 W538 L564 L584 C591 Q592L531-M588 HydrophobicContact CD2-CE 4.38Å; L531-M588 HydrophobicContact CD2-SD 3.83Å; W538-M588 HydrophobicContact CH2-CE 4.33Å; L564-M588 HydrophobicContact CD2-CE 4.25Å; L564-M588 HydrophobicContact CD2-SD 4Å; L584-M588 WeakPolarHBondContact O-CB 3.35Å; L584-M588 PolarHBondContact O-N 3.36Å; M588-C591 WeakPolarHBondContact O-CB 3.47Å; M588-C591 PolarHBondContact O-N 3.43Å; M588-Q592 PolarHBondContact O-N 2.84Å
589R87.7Confident88.1Confident148 Ų14874 Ų7456%0.55838%0.377SS*.Hα-helixtrans-60.5-47.1176.2-171.6-175-60.7179.7-1.4112.2D585 C591 Q592 E593D585-R589 PolarHBondContact O-N 2.92Å; R589-C591 VanDerWaalsContact C-N 3.28Å; R589-C591 PolarHBondContact O-N 2.83Å; R589-Q592 WeakPolarHBondContact O-CB 3.31Å; R589-Q592 PolarHBondContact O-N 3.04Å; R589-Q592 VanDerWaalsContact O-N 3.12Å; R589-E593 WeakPolarHBondContact CD-OE1 3.46Å; R589-E593 HydrophobicContact CG-CG 4.43Å; R589-E593 WeakPolarHBondContact CG-OE1 3.35Å; R589-E593 WeakPolarHBondContact O-CG 3.3Å; R589-E593 PolarHBondContact O-N 3.2Å
590R90.6Very high88.5Confident113 Ų11369.5 Ų69.543%0.42635%0.346SS..Hα-helixtrans-58.6-41.1176.9-168.1-165.1-52.5115.65.4111.8L564 S586 G587 E593 E594L564-R590 PolarHBondContact O-NH1 2.8Å; S586-R590 WeakPolarHBondContact O-CB 3.47Å; S586-R590 PolarHBondContact O-N 2.9Å; G587-R590 PolarHBondContact O-N 3.23Å; R590-E593 PolarHBondContact O-N 2.68Å; R590-E594 HydrophobicContact CG-CG 4.2Å; R590-E594 VanDerWaalsContact O-CB 3.32Å; R590-E594 WeakPolarHBondContact O-CB 3.29Å; R590-E594 WeakPolarHBondContact O-CG 3.3Å; R590-E594 PolarHBondContact O-N 2.92Å
591C90.9Very high88.9Confident2 Ų264.8 Ų64.81%0.01433%0.328CS..Hα-helixtrans-63.1-41.9176.7-171.10000111.5L563 L564 G587 M588 R589 L595L563-C591 HydrophobicContact CB-CB 4.22Å; L564-C591 HydrophobicContact CD2-CB 3.51Å; L564-C591 HydrophobicContact CG-CB 3.92Å; G587-C591 WeakPolarHBondContact O-CB 3.36Å; G587-C591 PolarHBondContact O-N 3.39Å; M588-C591 WeakPolarHBondContact O-CB 3.47Å; M588-C591 PolarHBondContact O-N 3.43Å; R589-C591 VanDerWaalsContact C-N 3.28Å; R589-C591 PolarHBondContact O-N 2.83Å; C591-L595 VanDerWaalsContact O-CB 3.25Å; C591-L595 WeakPolarHBondContact O-CB 3.36Å; C591-L595 WeakPolarHBondContact O-CD1 2.82Å; C591-L595 WeakPolarHBondContact O-CG 3.17Å; C591-L595 PolarHBondContact O-N 2.6Å
592Q85.1Confident89.5Confident73 Ų7359 Ų5934%0.34131%0.307SS..Hα-helixtrans-61.4-48.3173.7-176.9179.7-0.700112.1M588 R589 L595 V596M588-Q592 PolarHBondContact O-N 2.84Å; R589-Q592 WeakPolarHBondContact O-CB 3.31Å; R589-Q592 PolarHBondContact O-N 3.04Å; R589-Q592 VanDerWaalsContact O-N 3.12Å; Q592-L595 PolarHBondContact O-N 2.81Å; Q592-V596 WeakPolarHBondContact O-CG2 3.41Å; Q592-V596 PolarHBondContact O-N 3.31Å
593E86.1Confident89.9Confident118 Ų11857.1 Ų57.155%0.55129%0.286SS*.Hα-helixtrans-60.7-50.7178.3-70.1167-178.900112R589 R590 L595 V596 D597R589-E593 WeakPolarHBondContact CD-OE1 3.46Å; R589-E593 HydrophobicContact CG-CG 4.43Å; R589-E593 WeakPolarHBondContact CG-OE1 3.35Å; R589-E593 WeakPolarHBondContact O-CG 3.3Å; R589-E593 PolarHBondContact O-N 3.2Å; R590-E593 PolarHBondContact O-N 2.68Å; E593-L595 PolarHBondContact O-N 3.21Å; E593-V596 PolarHBondContact O-N 3.44Å; E593-D597 PolarHBondContact O-N 2.89Å
594E89.8Confident90Very high108 Ų10852.7 Ų52.751%0.50527%0.265SS..Hα-helixtrans-66.6-33.2-179.9-73.8-80.6155.500112.7L563 R590 M598L563-E594 HydrophobicContact CD2-CB 3.76Å; L563-E594 HydrophobicContact CD2-CG 4.36Å; R590-E594 HydrophobicContact CG-CG 4.2Å; R590-E594 VanDerWaalsContact O-CB 3.32Å; R590-E594 WeakPolarHBondContact O-CB 3.29Å; R590-E594 WeakPolarHBondContact O-CG 3.3Å; R590-E594 PolarHBondContact O-N 2.92Å; E594-M598 WeakPolarHBondContact O-CA 3.39Å; E594-M598 VanDerWaalsContact O-CB 3.25Å; E594-M598 WeakPolarHBondContact O-CB 3.37Å; E594-M598 PolarHBondContact O-N 3.09Å; E594-M598 VanDerWaalsContact O-N 3.17Å
595L90.3Very high90.1Very high14 Ų1453.8 Ų53.87%0.07327%0.273CS..Hα-helixtrans-67.8-36.2175-76.9169.9000112.3I524 L527 L555 L563 C591 Q592 E593 M598I524-L595 HydrophobicContact CD1-CD2 3.61Å; L527-L595 HydrophobicContact CD1-CD1 4.46Å; L555-L595 HydrophobicContact CD1-CD2 3.47Å; L555-L595 VanDerWaalsContact CD1-CD2 3.47Å; L563-L595 HydrophobicContact CD1-CD2 3.99Å; L563-L595 HydrophobicContact CD1-CG 4.28Å; C591-L595 VanDerWaalsContact O-CB 3.25Å; C591-L595 WeakPolarHBondContact O-CB 3.36Å; C591-L595 WeakPolarHBondContact O-CD1 2.82Å; C591-L595 WeakPolarHBondContact O-CG 3.17Å; C591-L595 PolarHBondContact O-N 2.6Å; Q592-L595 PolarHBondContact O-N 2.81Å; E593-L595 PolarHBondContact O-N 3.21Å; L595-M598 HydrophobicContact CD2-CE 4.01Å
596V83.1Confident90Very high122 Ų12251.2 Ų51.274%0.73926%0.261SS*.Hα-helixtrans-72.7-44.5180169.90000111.9Q592 E593 M598Q592-V596 WeakPolarHBondContact O-CG2 3.41Å; Q592-V596 PolarHBondContact O-N 3.31Å; E593-V596 PolarHBondContact O-N 3.44Å; V596-M598 VanDerWaalsContact C-N 3.28Å; V596-M598 PolarHBondContact O-N 3.29Å
597D81.3Confident89.2Confident89 Ų8953.4 Ų53.448%0.47626%0.262SS..SBendtrans-89.211.2179.8-131.3-24000112.7R179 E593 C599R179-D597 IonicContact CZ-OD1 2.91Å; R179-D597 VanDerWaalsContact CZ-OD1 3.23Å; R179-D597 IonicContact NH1-OD1 3.32Å; R179-D597 PolarHBondContact NH1-OD1 3.35Å; R179-D597 IonicContact NH1-OD2 2.69Å; R179-D597 IonicContact NH2-OD1 3.52Å; R179-D597 PolarHBondContact NH2-OD1 3.46Å; E593-D597 PolarHBondContact O-N 2.89Å; D597-C599 PolarHBondContact O-N 3.38Å
598M88.1Confident88Confident16 Ų1656 Ų568%0.07928%0.279CS..  trans-66.199-173.7-166.2169.3-66.500112.6F523 I524 L563 E594 L595 V596 C600 M602 A618F523-M598 WeakPolarHBondContact CA-O 3.25Å; F523-M598 WeakPolarHBondContact CB-O 3.4Å; I524-M598 HydrophobicContact CD1-CB 4.02Å; I524-M598 HydrophobicContact CD1-CE 4.38Å; I524-M598 HydrophobicContact CD1-CG 4.39Å; I524-M598 HydrophobicContact CD1-SD 3.77Å; I524-M598 HydrophobicContact CG1-CB 4.19Å; I524-M598 HydrophobicContact CG1-SD 4.3Å; I524-M598 PolarHBondContact N-O 2.81Å; L563-M598 HydrophobicContact CD1-CE 3.88Å; L563-M598 HydrophobicContact CD2-CE 3.93Å; E594-M598 WeakPolarHBondContact O-CA 3.39Å; E594-M598 VanDerWaalsContact O-CB 3.25Å; E594-M598 WeakPolarHBondContact O-CB 3.37Å; E594-M598 PolarHBondContact O-N 3.09Å; E594-M598 VanDerWaalsContact O-N 3.17Å; L595-M598 HydrophobicContact CD2-CE 4.01Å; V596-M598 VanDerWaalsContact C-N 3.28Å; V596-M598 PolarHBondContact O-N 3.29Å; M598-C600 HydrophobicContact CG-CB 4.41Å; M598-M602 HydrophobicContact CG-CE 4.08Å; M598-M602 HydrophobicContact SD-CE 3.91Å; M598-A618 HydrophobicContact SD-CB 4.42Å
599C92.4Very high86.6Confident59 Ų5957 Ų5740%0.39931%0.306SS..EExtended strand (participates in β ladder)trans-125.7100.5165.2-173.40000109.9A522 F523 D597A522-C599 WeakPolarHBondContact O-CA 3.46Å; F523-C599 HydrophobicContact CB-CB 4.12Å; D597-C599 PolarHBondContact O-N 3.38Å
600C95.4Very high85.4Confident11 Ų1153.7 Ų53.77%0.07430%0.3CS..EExtended strand (participates in β ladder)trans-143.3176.9-164.276.70000112.7K521 A522 M598 M602 Q619K521-C600 WeakPolarHBondContact CA-O 3.25Å; A522-C600 PolarHBondContact N-O 3.26Å; A522-C600 PolarHBondContact O-N 3.02Å; M598-C600 HydrophobicContact CG-CB 4.41Å; C600-M602 PolarHBondContact O-N 3.49Å; C600-M602 VanDerWaalsContact SG-CG 3.51Å; C600-Q619 WeakPolarHBondContact CB-O 3.38Å
601I96.6Very high84.1Confident2 Ų252 Ų521%0.0132%0.317CS..EExtended strand (participates in β ladder)trans-85.3106.8167.4-52.6-56.4000108.2F498 V520 K521 Q619 V621 V625F498-I601 HydrophobicContact CD1-CD1 3.73Å; F498-I601 HydrophobicContact CE1-CD1 4.05Å; F498-I601 HydrophobicContact CG-CD1 4.46Å; V520-I601 CarbonylContact O-C 3.58Å; V520-I601 WeakPolarHBondContact O-CA 3.36Å; K521-I601 HydrophobicContact CB-CD1 3.66Å; K521-I601 HydrophobicContact CG-CD1 3.9Å; I601-Q619 PolarHBondContact N-O 3.25Å; I601-Q619 PolarHBondContact O-N 3.29Å; I601-V621 HydrophobicContact CD1-CG2 4.14Å; I601-V621 HydrophobicContact CG1-CG2 4.25Å; I601-V625 HydrophobicContact CD1-CG1 4.02Å; I601-V625 HydrophobicContact CG1-CG1 4.37Å; I601-V625 HydrophobicContact CG1-CG2 4.49Å
602M96.4Very high83.5Confident0 Ų057.8 Ų57.80%034%0.339CS..EExtended strand (participates in β ladder)trans-92.8136.8177.7-63.6-177.6-17600109.9R519 V520 A522 I524 I544 M598 C600 I604 V615R519-M602 WeakPolarHBondContact CA-O 3.33Å; V520-M602 HydrophobicContact CG2-CB 4.1Å; V520-M602 PolarHBondContact N-O 3.1Å; V520-M602 PolarHBondContact O-N 3.1Å; A522-M602 HydrophobicContact CB-CE 4.44Å; A522-M602 HydrophobicContact CB-CG 4.48Å; A522-M602 HydrophobicContact CB-SD 3.86Å; I524-M602 HydrophobicContact CG1-CE 4.11Å; I544-M602 HydrophobicContact CB-SD 4.3Å; I544-M602 HydrophobicContact CD1-SD 3.78Å; I544-M602 HydrophobicContact CG2-CE 4.07Å; I544-M602 HydrophobicContact CG2-SD 3.85Å; M598-M602 HydrophobicContact CG-CE 4.08Å; M598-M602 HydrophobicContact SD-CE 3.91Å; C600-M602 PolarHBondContact O-N 3.49Å; C600-M602 VanDerWaalsContact SG-CG 3.51Å; M602-I604 HydrophobicContact CB-CG1 4.49Å; M602-V615 HydrophobicContact CB-CG1 4.15Å; M602-V615 HydrophobicContact CG-CG1 4.24Å; M602-V615 HydrophobicContact SD-CG2 4.19Å
603T95.3Very high83.7Confident5 Ų554.5 Ų54.53%0.03133%0.325CS..EExtended strand (participates in β ladder)trans-106.1103.5172.3-51.50000107.7E517 V518 R519 A616 K617E517-T603 HydrophobicContact CG-CG2 3.61Å; E517-T603 VanDerWaalsContact OE1-CG2 3.24Å; E517-T603 WeakPolarHBondContact OE1-CG2 3.23Å; V518-T603 CarbonylContact O-C 3.57Å; V518-T603 WeakPolarHBondContact O-CA 3.12Å; R519-T603 HydrophobicContact CG-CG2 4.27Å; T603-A616 PolarHBondContact O-N 2.91Å; T603-K617 PolarHBondContact N-O 3.3Å; T603-K617 PolarHBondContact O-N 2.91Å
604I93.1Very high84.1Confident2 Ų250.7 Ų50.71%0.0131%0.309CS..EExtended strand (participates in β ladder)trans-94.4130.4-175.5-57.9163.7000108.4L501 E517 V518 V520 I544 L551 M602 A613 V614 V615L501-I604 HydrophobicContact CD2-CD1 4.12Å; E517-I604 CarbonylContact C-O 3.56Å; E517-I604 WeakPolarHBondContact CA-O 3.11Å; V518-I604 PolarHBondContact N-O 2.81Å; V518-I604 PolarHBondContact O-N 2.79Å; V520-I604 HydrophobicContact CG1-CD1 4.19Å; V520-I604 HydrophobicContact CG2-CD1 3.52Å; V520-I604 HydrophobicContact CG2-CG1 4.36Å; I544-I604 HydrophobicContact CD1-CD1 3.73Å; I544-I604 HydrophobicContact CD1-CG1 4.28Å; L551-I604 HydrophobicContact CD2-CD1 4.1Å; L551-I604 HydrophobicContact CD2-CG2 4.04Å; M602-I604 HydrophobicContact CB-CG1 4.49Å; I604-A613 HydrophobicContact CG2-CB 3.91Å; I604-V614 CarbonylContact C-O 3.51Å; I604-V614 WeakPolarHBondContact CA-O 3.33Å; I604-V615 HydrophobicContact CG1-CG2 4.47Å
605V91.4Very high84.4Confident38 Ų3845.6 Ų45.623%0.2329%0.285CS..EExtended strand (participates in β ladder)trans-114115.4172.2179.10000108.5P515 T516 E517 V614 A616P515-V605 HydrophobicContact CB-CG1 4.13Å; T516-V605 WeakPolarHBondContact O-CA 3.12Å; E517-V605 HydrophobicContact CB-CG2 4.39Å; E517-V605 HydrophobicContact CG-CG2 4.2Å; V605-V614 PolarHBondContact N-O 2.7Å; V605-V614 PolarHBondContact O-N 3.3Å; V605-A616 HydrophobicContact CG2-CB 3.8Å
606A84.9Confident84.6Confident16 Ų1646 Ų4613%0.13229%0.291CS..EExtended strand (participates in β ladder)trans-99.5121.4172.200000109.7L508 P515 T516L508-A606 HydrophobicContact CD2-CB 3.85Å; P515-A606 WeakPolarHBondContact CA-O 3.41Å; T516-A606 PolarHBondContact N-O 2.84Å; T516-A606 PolarHBondContact O-N 2.91Å
607K73.1Confident85.2Confident115 Ų11544.5 Ų44.550%0.527%0.274SS..PPolyproline II helixtrans-78.6149.6171.9-67.2177.7-171.5167.40110.4D610K607-D610 HydrophobicContact CB-CB 4.02Å; K607-D610 HydrophobicContact CD-CB 4.36Å; K607-D610 WeakPolarHBondContact CD-OD2 3.48Å; K607-D610 IonicContact NZ-OD2 2.72Å; K607-D610 PolarHBondContact NZ-OD2 3.12Å
608P66.2Low85.9Confident56 Ų5642 Ų4236%0.36427%0.266SS..SBendtrans-66.9141.4170.5-17.632.3000112.1R512 D610R512-P608 WeakPolarHBondContact O-CB 3.31Å; P608-D610 PolarHBondContact O-N 3.37Å
609G60.8Low86.2Confident89 Ų8945.4 Ų45.492%0.91828%0.282SS*.SBendtrans75.8-37.3172.300000115.9G611G609-G611 PolarHBondContact O-N 2.98Å
610D61.6Low86.2Confident79 Ų7948 Ų4842%0.42230%0.298SS..SBendtrans-66.9-20-174.4-151.86.4000113.4K607 P608 R612K607-D610 HydrophobicContact CB-CB 4.02Å; K607-D610 HydrophobicContact CD-CB 4.36Å; K607-D610 WeakPolarHBondContact CD-OD2 3.48Å; K607-D610 IonicContact NZ-OD2 2.72Å; K607-D610 PolarHBondContact NZ-OD2 3.12Å; P608-D610 PolarHBondContact O-N 3.37Å; D610-R612 PolarHBondContact O-N 2.8Å
611G64.7Low86Confident77 Ų7750.9 Ų50.979%0.79432%0.315SS*.  trans69.8-29.9-177.600000115G609G609-G611 PolarHBondContact O-N 2.98Å
612R77Confident85.7Confident124 Ų12453.5 Ų53.547%0.46833%0.334SS..  trans-76.8125.3-177.7-57.7175.982.9-119.7-7.2111E554 D610E554-R612 IonicContact OE2-CZ 3.15Å; E554-R612 IonicContact OE2-NH1 2.82Å; E554-R612 PolarHBondContact OE2-NH1 2.89Å; E554-R612 IonicContact OE2-NH2 2.7Å; E554-R612 PolarHBondContact OE2-NH2 3.39Å; D610-R612 PolarHBondContact O-N 2.8Å
613A90.2Very high85.5Confident5 Ų559.4 Ų59.44%0.04136%0.361CS..EExtended strand (participates in β ladder)trans-96147.4171.300000110.5L551 V553 E554 I604L551-A613 HydrophobicContact CD2-CB 3.95Å; L551-A613 HydrophobicContact CG-CB 4.37Å; V553-A613 CarbonylContact C-O 3.51Å; V553-A613 VanDerWaalsContact CA-O 3.3Å; V553-A613 WeakPolarHBondContact CA-O 3.29Å; V553-A613 HydrophobicContact CG1-CB 4.03Å; E554-A613 PolarHBondContact N-O 3.28Å; I604-A613 HydrophobicContact CG2-CB 3.91Å
614V93.8Very high85.4Confident38 Ų3867.6 Ų67.623%0.2339%0.392CS..EExtended strand (participates in β ladder)trans-123.8128.4-178.5-176.90000109.9E554 I604 V605 A616E554-V614 HydrophobicContact CB-CG2 4.49Å; E554-V614 CarbonylContact O-C 3.58Å; E554-V614 VanDerWaalsContact O-CA 3.29Å; E554-V614 WeakPolarHBondContact O-CA 3.23Å; E554-V614 WeakPolarHBondContact O-CG1 3.45Å; I604-V614 CarbonylContact C-O 3.51Å; I604-V614 WeakPolarHBondContact CA-O 3.33Å; V605-V614 PolarHBondContact N-O 2.7Å; V605-V614 PolarHBondContact O-N 3.3Å; V614-A616 PolarHBondContact O-N 2.86Å
615V95.8Very high85.3Confident0 Ų068 Ų680%039%0.394CS..EExtended strand (participates in β ladder)trans-76.393.1166.4179.20000107.4I544 V553 E554 L555 S556 M602 I604I544-V615 HydrophobicContact CD1-CG2 4.4Å; V553-V615 HydrophobicContact CB-CG2 3.93Å; V553-V615 HydrophobicContact CG1-CG2 4.18Å; V553-V615 HydrophobicContact CG2-CG2 3.72Å; E554-V615 PolarHBondContact O-N 2.82Å; L555-V615 HydrophobicContact CD2-CB 3.78Å; L555-V615 HydrophobicContact CD2-CG1 4.35Å; L555-V615 HydrophobicContact CD2-CG2 3.87Å; S556-V615 VanDerWaalsContact CB-O 3.26Å; S556-V615 WeakPolarHBondContact CB-O 3.5Å; S556-V615 PolarHBondContact N-O 2.58Å; S556-V615 VanDerWaalsContact N-O 3.08Å; S556-V615 PolarHBondContact OG-O 3.06Å; M602-V615 HydrophobicContact CB-CG1 4.15Å; M602-V615 HydrophobicContact CG-CG1 4.24Å; M602-V615 HydrophobicContact SD-CG2 4.19Å; I604-V615 HydrophobicContact CG1-CG2 4.47Å
616A95.3Very high85.1Confident23 Ų2370.5 Ų70.519%0.1941%0.406CS..EExtended strand (participates in β ladder)trans-65-41.2-179.900000111.3S556 T603 V605 V614S556-A616 PolarHBondContact OG-O 2.84Å; T603-A616 PolarHBondContact O-N 2.91Å; V605-A616 HydrophobicContact CG2-CB 3.8Å; V614-A616 PolarHBondContact O-N 2.86Å
617K96Very high85.4Confident90 Ų9076.7 Ų76.739%0.39143%0.426SS..EExtended strand (participates in β ladder)trans-142.4139.8-177.9-62170.9-178.1160.90111.3T603T603-K617 PolarHBondContact N-O 3.3Å; T603-K617 PolarHBondContact O-N 2.91Å
618A95.5Very high86.3Confident37 Ų3773.2 Ų73.231%0.30641%0.411SS..EExtended strand (participates in β ladder)trans-115.2135.2168.900000109V559 M598V559-A618 HydrophobicContact CG1-CB 4.18Å; V559-A618 HydrophobicContact CG2-CB 4.21Å; M598-A618 HydrophobicContact SD-CB 4.42Å
619Q94.3Very high87.4Confident87 Ų8772.8 Ų72.841%0.40741%0.405SS..EExtended strand (participates in β ladder)trans-139.8134.2-176.7-64.3-175.1-33.400111.4C600 I601C600-Q619 WeakPolarHBondContact CB-O 3.38Å; I601-Q619 PolarHBondContact N-O 3.25Å; I601-Q619 PolarHBondContact O-N 3.29Å
620P92.3Very high88.7Confident115 Ų11572.8 Ų72.875%0.74738%0.382SS*.  trans-61.6149.6176.426.3-34.5000111.6S622P620-S622 PolarHBondContact O-N 3.21Å; P620-S622 VanDerWaalsContact O-N 3.09Å
621V91.3Very high90Very high70 Ų7073.7 Ų73.742%0.42438%0.384SS..  trans-68.6109.8-180-174.80000109.5K521 I601 V625K521-V621 HydrophobicContact CG-CG2 4.45Å; I601-V621 HydrophobicContact CD1-CG2 4.14Å; I601-V621 HydrophobicContact CG1-CG2 4.25Å; V621-V625 HydrophobicContact CG1-CB 4.45Å; V621-V625 HydrophobicContact CG1-CG1 4.07Å
622S91.8Very high91.1Very high58 Ų5871.4 Ų71.441%0.40635%0.351SS..  trans-87.8157.2-179.662.30000112.7P620 R624 V625 L626P620-S622 PolarHBondContact O-N 3.21Å; P620-S622 VanDerWaalsContact O-N 3.09Å; S622-R624 PolarHBondContact O-N 3.28Å; S622-R624 VanDerWaalsContact O-N 3.15Å; S622-V625 WeakPolarHBondContact O-CB 3.43Å; S622-V625 PolarHBondContact O-N 2.8Å; S622-L626 PolarHBondContact O-N 3.1Å
623E91Very high91.3Very high124 Ų12469 Ų6958%0.57935%0.35SS*.Hα-helixtrans-56.4-31.7175-157-152155.500112.4V625 L626 R627E623-V625 PolarHBondContact O-N 2.87Å; E623-L626 WeakPolarHBondContact O-CB 3.38Å; E623-L626 PolarHBondContact O-N 3.48Å; E623-R627 WeakPolarHBondContact O-CG 3.36Å; E623-R627 PolarHBondContact O-N 3.28Å; E623-R627 IonicContact OE1-CZ 3.1Å; E623-R627 IonicContact OE1-NE 3.14Å; E623-R627 PolarHBondContact OE1-NE 3.12Å; E623-R627 IonicContact OE1-NH2 2.67Å; E623-R627 PolarHBondContact OE1-NH2 2.95Å; E623-R627 IonicContact OE2-NH2 2.78Å; E623-R627 PolarHBondContact OE2-NH2 3.18Å
624R92.6Very high91Very high177 Ų17774.6 Ų74.667%0.66837%0.37SS*.Hα-helixtrans-60-44.7172.8178.3179167.9179.5-4.2111.9S622 L626 R627 E628S622-R624 PolarHBondContact O-N 3.28Å; S622-R624 VanDerWaalsContact O-N 3.15Å; R624-L626 VanDerWaalsContact C-N 3.31Å; R624-L626 PolarHBondContact O-N 3.45Å; R624-R627 PolarHBondContact O-N 2.76Å; R624-E628 HydrophobicContact CG-CG 4.48Å; R624-E628 IonicContact CZ-OE1 2.67Å; R624-E628 IonicContact NE-OE1 3.19Å; R624-E628 PolarHBondContact NE-OE1 3.4Å; R624-E628 IonicContact NH2-OE1 3.87Å; R624-E628 PolarHBondContact NH2-OE1 3.41Å; R624-E628 WeakPolarHBondContact O-CG 3.32Å; R624-E628 PolarHBondContact O-N 3.34Å
625V90.9Very high90.5Very high9 Ų977.4 Ų77.46%0.05538%0.38CS..Hα-helixtrans-64.3-37.3178164.60000111.1P497 F498 I601 V621 S622 E623 L629P497-V625 HydrophobicContact CB-CB 4.28Å; P497-V625 HydrophobicContact CB-CG1 3.87Å; P497-V625 HydrophobicContact CB-CG2 4.19Å; P497-V625 HydrophobicContact CG-CG1 4.11Å; F498-V625 HydrophobicContact CD1-CG1 4.01Å; F498-V625 HydrophobicContact CE1-CG1 3.88Å; I601-V625 HydrophobicContact CD1-CG1 4.02Å; I601-V625 HydrophobicContact CG1-CG1 4.37Å; I601-V625 HydrophobicContact CG1-CG2 4.49Å; V621-V625 HydrophobicContact CG1-CB 4.45Å; V621-V625 HydrophobicContact CG1-CG1 4.07Å; S622-V625 WeakPolarHBondContact O-CB 3.43Å; S622-V625 PolarHBondContact O-N 2.8Å; E623-V625 PolarHBondContact O-N 2.87Å; V625-L629 WeakPolarHBondContact O-CB 3.33Å; V625-L629 PolarHBondContact O-N 2.84Å
626L88.6Confident89.4Confident91 Ų9178.4 Ų78.448%0.47639%0.388SS..Hα-helixtrans-61.7-51.6173.2178.661.4000111.4S622 E623 R624 E628 L629 E630S622-L626 PolarHBondContact O-N 3.1Å; E623-L626 WeakPolarHBondContact O-CB 3.38Å; E623-L626 PolarHBondContact O-N 3.48Å; R624-L626 VanDerWaalsContact C-N 3.31Å; R624-L626 PolarHBondContact O-N 3.45Å; L626-E628 PolarHBondContact O-N 2.91Å; L626-L629 PolarHBondContact O-N 2.92Å; L626-L629 VanDerWaalsContact O-N 3.1Å; L626-E630 HydrophobicContact CD1-CG 4.48Å; L626-E630 WeakPolarHBondContact O-CG 3.45Å; L626-E630 PolarHBondContact O-N 3.46Å
627R91.5Very high88.4Confident146 Ų14683.6 Ų83.655%0.55141%0.406SS*.Hα-helixtrans-60.7-39.9179.4-67.2175.3-176-162.17112.9E623 R624 L629 Q631E623-R627 WeakPolarHBondContact O-CG 3.36Å; E623-R627 PolarHBondContact O-N 3.28Å; E623-R627 IonicContact OE1-CZ 3.1Å; E623-R627 IonicContact OE1-NE 3.14Å; E623-R627 PolarHBondContact OE1-NE 3.12Å; E623-R627 IonicContact OE1-NH2 2.67Å; E623-R627 PolarHBondContact OE1-NH2 2.95Å; E623-R627 IonicContact OE2-NH2 2.78Å; E623-R627 PolarHBondContact OE2-NH2 3.18Å; R624-R627 PolarHBondContact O-N 2.76Å; R627-L629 VanDerWaalsContact C-N 3.35Å; R627-Q631 WeakPolarHBondContact O-CB 3.45Å; R627-Q631 PolarHBondContact O-N 3.08Å
628E91.4Very high87.2Confident42 Ų4286.7 Ų86.720%0.19642%0.415CS..Hα-helixtrans-64.6-37.2174.7-74.3176.8179.400111.8P497 R624 L626 R632P497-E628 HydrophobicContact CB-CB 3.99Å; P497-E628 WeakPolarHBondContact CB-OE2 3.2Å; P497-E628 HydrophobicContact CG-CB 4.09Å; R624-E628 HydrophobicContact CG-CG 4.48Å; R624-E628 IonicContact CZ-OE1 2.67Å; R624-E628 IonicContact NE-OE1 3.19Å; R624-E628 PolarHBondContact NE-OE1 3.4Å; R624-E628 IonicContact NH2-OE1 3.87Å; R624-E628 PolarHBondContact NH2-OE1 3.41Å; R624-E628 WeakPolarHBondContact O-CG 3.32Å; R624-E628 PolarHBondContact O-N 3.34Å; L626-E628 PolarHBondContact O-N 2.91Å; E628-R632 PolarHBondContact O-N 3.24Å; E628-R632 VanDerWaalsContact O-N 3.17Å
629L89.4Confident85.6Confident47 Ų4787.4 Ų87.425%0.24642%0.418CS..Hα-helixtrans-71.4-42.9176.1-172.962.5000112.3P497 F498 V625 L626 R627 Q631 R632 V633P497-L629 HydrophobicContact CG-CB 4.03Å; F498-L629 HydrophobicContact CE1-CD2 4.4Å; F498-L629 HydrophobicContact CZ-CD1 4.43Å; F498-L629 HydrophobicContact CZ-CD2 4.05Å; V625-L629 WeakPolarHBondContact O-CB 3.33Å; V625-L629 PolarHBondContact O-N 2.84Å; L626-L629 PolarHBondContact O-N 2.92Å; L626-L629 VanDerWaalsContact O-N 3.1Å; R627-L629 VanDerWaalsContact C-N 3.35Å; L629-Q631 VanDerWaalsContact C-N 3.28Å; L629-Q631 PolarHBondContact O-N 2.98Å; L629-R632 WeakPolarHBondContact O-CB 3.4Å; L629-R632 PolarHBondContact O-N 3Å; L629-V633 WeakPolarHBondContact O-CG2 3.49Å; L629-V633 PolarHBondContact O-N 3.12Å
630E87.6Confident83.9Confident90 Ų9088.3 Ų88.342%0.42143%0.425SS..Hα-helixtrans-57.9-41.1173.7-74.2-180-168.300112.1L626 V633 R634L626-E630 HydrophobicContact CD1-CG 4.48Å; L626-E630 WeakPolarHBondContact O-CG 3.45Å; L626-E630 PolarHBondContact O-N 3.46Å; E630-V633 PolarHBondContact O-N 2.97Å; E630-R634 WeakPolarHBondContact O-CB 3.35Å; E630-R634 PolarHBondContact O-N 3.24Å; E630-R634 IonicContact OE2-NH2 3.68Å
631Q88.7Confident82.1Confident98 Ų9890 Ų9046%0.45842%0.422SS..Hα-helixtrans-61.1-50.2175.4177.7170.5-12.100111.1R627 L629 V633 R634 E635R627-Q631 WeakPolarHBondContact O-CB 3.45Å; R627-Q631 PolarHBondContact O-N 3.08Å; L629-Q631 VanDerWaalsContact C-N 3.28Å; L629-Q631 PolarHBondContact O-N 2.98Å; Q631-V633 VanDerWaalsContact C-N 3.31Å; Q631-V633 PolarHBondContact O-N 2.93Å; Q631-R634 WeakPolarHBondContact O-CB 3.31Å; Q631-R634 PolarHBondContact O-N 3.17Å; Q631-R634 VanDerWaalsContact O-N 3.12Å; Q631-E635 HydrophobicContact CG-CG 4.37Å; Q631-E635 WeakPolarHBondContact CG-OE1 3.38Å; Q631-E635 PolarHBondContact NE2-OE1 2.77Å; Q631-E635 WeakPolarHBondContact O-CG 3.33Å; Q631-E635 PolarHBondContact O-N 3.05Å
632R87.2Confident79.9Confident29 Ų2995.8 Ų95.811%0.10945%0.451CS..Hα-helixtrans-54.6-45.1175.9-177.3-162.2-70.5-171.6-9112.2S495 A496 F498 E628 L629 E635 S636S495-R632 VanDerWaalsContact C-NH2 3.3Å; S495-R632 VanDerWaalsContact CB-NH2 3.33Å; S495-R632 PolarHBondContact O-NH2 3.12Å; A496-R632 PolarHBondContact O-NE 3.48Å; A496-R632 PolarHBondContact O-NH2 2.96Å; F498-R632 VanDerWaalsContact O-CZ 3.26Å; F498-R632 PolarHBondContact O-NH1 3.29Å; F498-R632 PolarHBondContact O-NH2 2.85Å; E628-R632 PolarHBondContact O-N 3.24Å; E628-R632 VanDerWaalsContact O-N 3.17Å; L629-R632 WeakPolarHBondContact O-CB 3.4Å; L629-R632 PolarHBondContact O-N 3Å; R632-E635 PolarHBondContact O-N 3.26Å; R632-S636 WeakPolarHBondContact O-CB 3.31Å; R632-S636 PolarHBondContact O-N 2.84Å
633V81.9Confident79.3Confident74 Ų7497.7 Ų97.745%0.44845%0.453SS..Hα-helixtrans-64-41.7178.3171.90000111.3L629 E630 Q631 S636 K637L629-V633 WeakPolarHBondContact O-CG2 3.49Å; L629-V633 PolarHBondContact O-N 3.12Å; E630-V633 PolarHBondContact O-N 2.97Å; Q631-V633 VanDerWaalsContact C-N 3.31Å; Q631-V633 PolarHBondContact O-N 2.93Å; V633-S636 PolarHBondContact O-N 3.42Å; V633-K637 WeakPolarHBondContact O-CG 3.08Å; V633-K637 PolarHBondContact O-N 3.34Å; V633-K637 VanDerWaalsContact O-N 3.11Å
634R84.1Confident78.7Confident122 Ų12296.3 Ų96.346%0.4645%0.447SS..Hα-helixtrans-65.7-38178-167.8-176.9-60.1111.83112.3E630 Q631 R638E630-R634 WeakPolarHBondContact O-CB 3.35Å; E630-R634 PolarHBondContact O-N 3.24Å; E630-R634 IonicContact OE2-NH2 3.68Å; Q631-R634 WeakPolarHBondContact O-CB 3.31Å; Q631-R634 PolarHBondContact O-N 3.17Å; Q631-R634 VanDerWaalsContact O-N 3.12Å; R634-R638 WeakPolarHBondContact O-CG 3.29Å; R634-R638 PolarHBondContact O-N 2.98Å
635E83.1Confident78Confident96 Ų9691.8 Ų91.845%0.44943%0.434SS..Hα-helixtrans-70.7-42.4175.8-72.5168.117800111.7Q631 R632 K637 R638 S639Q631-E635 HydrophobicContact CG-CG 4.37Å; Q631-E635 WeakPolarHBondContact CG-OE1 3.38Å; Q631-E635 PolarHBondContact NE2-OE1 2.77Å; Q631-E635 WeakPolarHBondContact O-CG 3.33Å; Q631-E635 PolarHBondContact O-N 3.05Å; R632-E635 PolarHBondContact O-N 3.26Å; E635-K637 VanDerWaalsContact C-N 3.32Å; E635-K637 PolarHBondContact O-N 3.27Å; E635-R638 PolarHBondContact O-N 2.93Å; E635-S639 PolarHBondContact O-N 3.14Å
636S73.8Confident77.2Confident22 Ų2296.6 Ų96.615%0.15446%0.457CS..Hα-helixtrans-60.8-38.7175.5-165.90000112.4P489 R632 V633 S639 I640P489-S636 WeakPolarHBondContact CD-OG 3.43Å; R632-S636 WeakPolarHBondContact O-CB 3.31Å; R632-S636 PolarHBondContact O-N 2.84Å; V633-S636 PolarHBondContact O-N 3.42Å; S636-S639 PolarHBondContact O-N 3.34Å; S636-I640 WeakPolarHBondContact O-CD1 3.32Å; S636-I640 WeakPolarHBondContact O-CG1 3.38Å
637K73.1Confident76.5Confident132 Ų13297 Ų9757%0.57446%0.455SS*.Hα-helixtrans-64.2-45.5175.5-73.1-175.8177.9-169.90112.2V633 E635 S639 I640 E641V633-K637 WeakPolarHBondContact O-CG 3.08Å; V633-K637 PolarHBondContact O-N 3.34Å; V633-K637 VanDerWaalsContact O-N 3.11Å; E635-K637 VanDerWaalsContact C-N 3.32Å; E635-K637 PolarHBondContact O-N 3.27Å; K637-S639 PolarHBondContact O-N 3.33Å; K637-I640 WeakPolarHBondContact O-CB 3.16Å; K637-I640 PolarHBondContact O-N 3.02Å; K637-E641 PolarHBondContact O-N 3.04Å
638R70.8Confident75.5Confident154 Ų15493.7 Ų93.758%0.58145%0.449SS*.Hα-helixtrans-61.5-26.8175.4-72.1175.8174.9179.8-2.7113.5R634 E635 I640 N642R634-R638 WeakPolarHBondContact O-CG 3.29Å; R634-R638 PolarHBondContact O-N 2.98Å; E635-R638 PolarHBondContact O-N 2.93Å; R638-I640 VanDerWaalsContact C-N 3.26Å; R638-I640 PolarHBondContact O-N 3.11Å; R638-N642 PolarHBondContact O-ND2 3.21Å
639S61.5Low74.3Confident53 Ų5397.4 Ų97.437%0.37147%0.467SS..THydrogen-bonded Turntrans-76.9-8.1174.4-166.50000114C487 E635 S636 K637C487-S639 PolarHBondContact SG-O 3.27Å; E635-S639 PolarHBondContact O-N 3.14Å; S636-S639 PolarHBondContact O-N 3.34Å; K637-S639 PolarHBondContact O-N 3.33Å
640I59.1Low73.2Confident106 Ų106101.3 Ų101.354%0.54448%0.484SS..THydrogen-bonded Turntrans-101.5-21.1175.8-61.4161.9000110.6C487 S636 K637 R638C487-I640 HydrophobicContact CB-CG1 3.87Å; S636-I640 WeakPolarHBondContact O-CD1 3.32Å; S636-I640 WeakPolarHBondContact O-CG1 3.38Å; K637-I640 WeakPolarHBondContact O-CB 3.16Å; K637-I640 PolarHBondContact O-N 3.02Å; R638-I640 VanDerWaalsContact C-N 3.26Å; R638-I640 PolarHBondContact O-N 3.11Å
641E53.9Low72Confident149 Ų149102.3 Ų102.370%0.69649%0.489SS*.  trans-90.7-2-179.8-65.5168.4162.300113.8K637K637-E641 PolarHBondContact O-N 3.04Å
642N46.7Very low70.5Confident192 Ų192102.6 Ų102.6100%1.02749%0.492SS*.  trans-125.60176-66.7-90.8000110.9R638R638-N642 PolarHBondContact O-ND2 3.21Å

Retrieved 642 of 642 residues in 125.5 ms (Link to these results)

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