A0A3Q1HWG0_ANATE Loading...

Microtubule-associated protein 1 light chain 3 alpha

AlphaFold DB , UniProt , Accession A0A3Q1HWG0, Species ANATE (Anabas testudineus, Climbing perch), Gene MAP1LC3A, Length 121 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
1M41.1Very low78.3Confident226 Ų226109.7 Ų109.7100%1.11353%0.528SS*.  0127.70-61.2-53.4176.200107.8S3M1-S3 PolarHBondContact O-N 2.72Å; M1-S3 VanDerWaalsContact O-N 3.16Å
2P52.6Low79.9Confident79 Ų79107.2 Ų107.251%0.51352%0.524SS..  trans-53.6124.8166.4-14.628000106.7D4P2-D4 PolarHBondContact O-N 3.39Å
3S58.5Low81.2Confident59 Ų59106.8 Ų106.841%0.41352%0.518SS..  trans-58.1125.8176.750.30000109M1 R5 R10M1-S3 PolarHBondContact O-N 2.72Å; M1-S3 VanDerWaalsContact O-N 3.16Å; S3-R5 PolarHBondContact O-N 3.19Å; S3-R10 WeakPolarHBondContact OG-CD 3.45Å
4D68.7Low82.4Confident161 Ų161104 Ų10486%0.86152%0.521SS*.SBendtrans-61.2-0.4176.3-66.6-51000114.1P2P2-D4 PolarHBondContact O-N 3.39Å
5R84.3Confident83.4Confident172 Ų172102.1 Ų102.165%0.64951%0.513SS*.SBendtrans-81.6131.5-179.5-59.7-175.3-166.8172.53.2110.4S3 Q9 R10S3-R5 PolarHBondContact O-N 3.19Å; R5-Q9 HydrophobicContact CB-CB 4.41Å; R5-R10 HydrophobicContact CB-CG 4.08Å; R5-R10 WeakPolarHBondContact O-CD 3.27Å; R5-R10 PolarHBondContact O-NE 3.36Å
6P90.4Very high84.3Confident56 Ų5696.9 Ų96.936%0.36449%0.486SS..  trans-53.6151.7174.9-27.233.8000113.5K8 Q9 R10 E36P6-K8 VanDerWaalsContact C-N 3.26Å; P6-K8 PolarHBondContact O-N 3.15Å; P6-Q9 HydrophobicContact CB-CG 4.49Å; P6-Q9 WeakPolarHBondContact O-CB 3.4Å; P6-Q9 PolarHBondContact O-N 3.49Å; P6-R10 WeakPolarHBondContact O-CG 3.43Å; P6-R10 PolarHBondContact O-N 3.49Å; P6-E36 WeakPolarHBondContact CA-OE2 3.48Å
7F93.3Very high85.1Confident13 Ų1393.6 Ų93.66%0.05747%0.474CS..Hα-helixtrans-52.3-42.8-179-178-110.4000113Q9 R10 R11 R16 I34 E36 F108 Y110F7-Q9 PolarHBondContact O-N 3.02Å; F7-R10 PolarHBondContact O-N 2.98Å; F7-R11 HydrophobicContact CD2-CG 4.39Å; F7-R11 HydrophobicContact CE2-CG 3.81Å; F7-R11 HydrophobicContact CZ-CG 4.04Å; F7-R11 PolarHBondContact O-N 3.05Å; F7-R11 VanDerWaalsContact O-N 3.12Å; F7-R16 HydrophobicContact CD1-CG 4.41Å; F7-R16 HydrophobicContact CE1-CG 3.67Å; F7-R16 HydrophobicContact CZ-CG 4.18Å; F7-I34 HydrophobicContact CB-CG2 3.8Å; F7-I34 HydrophobicContact CD1-CD1 3.79Å; F7-I34 HydrophobicContact CD1-CG1 3.75Å; F7-I34 HydrophobicContact CD1-CG2 4.41Å; F7-I34 HydrophobicContact CD2-CD1 4.23Å; F7-I34 HydrophobicContact CE1-CD1 3.84Å; F7-I34 HydrophobicContact CE1-CG1 4.05Å; F7-I34 HydrophobicContact CE2-CD1 4.28Å; F7-I34 HydrophobicContact CG-CD1 3.98Å; F7-I34 HydrophobicContact CG-CG1 4.22Å; F7-I34 HydrophobicContact CG-CG2 4.22Å; F7-I34 HydrophobicContact CZ-CD1 4.09Å; F7-E36 WeakPolarHBondContact CB-OE1 3.37Å; F7-E36 PolarHBondContact N-OE1 3.48Å; F7-E36 PolarHBondContact N-OE2 3.42Å; F7-F108 AromaticContact CE1-CD2 3.98Å; F7-F108 HydrophobicContact CE1-CD2 3.98Å; F7-F108 AromaticContact CE1-CE2 3.76Å; F7-F108 HydrophobicContact CE1-CE2 3.76Å; F7-F108 HydrophobicContact CE1-CZ 4.17Å; F7-F108 HydrophobicContact CZ-CE2 4.05Å; F7-F108 HydrophobicContact CZ-CZ 4.14Å; F7-Y110 HydrophobicContact CD1-CE1 4.02Å; F7-Y110 WeakPolarHBondContact CD1-OH 3.38Å
8K93.9Very high85.8Confident83 Ų8395.4 Ų95.436%0.36148%0.478SS..Hα-helixtrans-63-21.2177.1-64.6-166.4-179-171.50114.4P6 R11 D104 Y110P6-K8 VanDerWaalsContact C-N 3.26Å; P6-K8 PolarHBondContact O-N 3.15Å; K8-R11 VanDerWaalsContact O-O 3.09Å; K8-D104 WeakPolarHBondContact CE-OD1 3.26Å; K8-D104 IonicContact NZ-OD1 2.75Å; K8-D104 PolarHBondContact NZ-OD1 3.27Å; K8-D104 IonicContact NZ-OD2 2.59Å; K8-D104 PolarHBondContact NZ-OD2 3.19Å; K8-Y110 HydrophobicContact CD-CE1 4.26Å; K8-Y110 VanDerWaalsContact CE-CE2 3.41Å; K8-Y110 HydrophobicContact CG-CE1 3.71Å
9Q92.6Very high86.5Confident138 Ų13892.1 Ų92.165%0.64546%0.461SS*.Hα-helixtrans-90.1-17.8174.3-63.1-176.22.600112.6R5 P6 F7R5-Q9 HydrophobicContact CB-CB 4.41Å; P6-Q9 HydrophobicContact CB-CG 4.49Å; P6-Q9 WeakPolarHBondContact O-CB 3.4Å; P6-Q9 PolarHBondContact O-N 3.49Å; F7-Q9 PolarHBondContact O-N 3.02Å
10R92.4Very high87Confident88 Ų8888.1 Ų88.133%0.33244%0.441SS..Hα-helixtrans-89.7-23-179.9-63.2-180-71166-7.6112.5S3 R5 P6 F7 E36 T50S3-R10 WeakPolarHBondContact OG-CD 3.45Å; R5-R10 HydrophobicContact CB-CG 4.08Å; R5-R10 WeakPolarHBondContact O-CD 3.27Å; R5-R10 PolarHBondContact O-NE 3.36Å; P6-R10 WeakPolarHBondContact O-CG 3.43Å; P6-R10 PolarHBondContact O-N 3.49Å; F7-R10 PolarHBondContact O-N 2.98Å; R10-E36 IonicContact CZ-OE1 2.54Å; R10-E36 IonicContact NH2-OE1 3.79Å; R10-E36 PolarHBondContact NH2-OE1 3.33Å; R10-T50 PolarHBondContact NH2-OG1 3.43Å
11R93.6Very high87.5Confident132 Ų13289.4 Ų89.450%0.49845%0.446SS..SBendtrans-131.6138.4-177.2-64.4-63.2-172.1-178.80.2110.7F7 K8 R16F7-R11 HydrophobicContact CD2-CG 4.39Å; F7-R11 HydrophobicContact CE2-CG 3.81Å; F7-R11 HydrophobicContact CZ-CG 4.04Å; F7-R11 PolarHBondContact O-N 3.05Å; F7-R11 VanDerWaalsContact O-N 3.12Å; K8-R11 VanDerWaalsContact O-O 3.09Å; R11-R16 HydrophobicContact CB-CG 3.74Å
12T97.2Very high90.2Very high79 Ų7982.9 Ų82.949%0.48541%0.413SS..  trans-65.2160.2174.272.10000110.5A14 D15 R16T12-A14 VanDerWaalsContact C-N 3.34Å; T12-A14 PolarHBondContact O-N 3.26Å; T12-D15 PolarHBondContact O-N 3.34Å; T12-D15 WeakPolarHBondContact OG1-CB 3.36Å; T12-D15 PolarHBondContact OG1-N 2.91Å; T12-D15 PolarHBondContact OG1-OD2 3.43Å; T12-R16 WeakPolarHBondContact O-CG 3.29Å; T12-R16 PolarHBondContact O-N 2.98Å; T12-R16 VanDerWaalsContact O-N 3.15Å; T12-R16 PolarHBondContact O-NE 2.89Å
13F97.4Very high92.3Very high102 Ų10279.9 Ų79.945%0.44739%0.392SS..Hα-helixtrans-58.1-46.5175.4-179.7-97.8000111.9D15 R16 C17 E105 D106F13-D15 VanDerWaalsContact C-N 3.33Å; F13-D15 PolarHBondContact O-N 3.44Å; F13-R16 PolarHBondContact O-N 3.11Å; F13-R16 VanDerWaalsContact O-N 3.12Å; F13-C17 WeakPolarHBondContact CE1-SG 3.31Å; F13-C17 VanDerWaalsContact CZ-SG 3.54Å; F13-C17 PolarHBondContact O-N 3.19Å; F13-C17 PolarHBondContact O-SG 3.12Å; F13-C17 VanDerWaalsContact O-SG 3.33Å; F13-E105 HydrophobicContact CE2-CB 4.07Å; F13-E105 HydrophobicContact CZ-CB 4.26Å; F13-D106 HydrophobicContact CD2-CB 4.11Å; F13-D106 HydrophobicContact CE2-CB 3.88Å
14A97.8Very high94Very high68 Ų6881.6 Ų81.656%0.56239%0.389SS*.Hα-helixtrans-59.7-41.6179.400000112.7T12 R16 C17 K18T12-A14 VanDerWaalsContact C-N 3.34Å; T12-A14 PolarHBondContact O-N 3.26Å; A14-R16 VanDerWaalsContact C-N 3.34Å; A14-R16 PolarHBondContact O-N 3.12Å; A14-C17 PolarHBondContact O-N 2.93Å; A14-K18 WeakPolarHBondContact O-CB 3.48Å; A14-K18 PolarHBondContact O-N 3.47Å
15D97.7Very high95.3Very high75 Ų7580 Ų8040%0.40138%0.377SS..Hα-helixtrans-63.7-41.1176.4-65.9-38000111.7T12 F13 K18 E19T12-D15 PolarHBondContact O-N 3.34Å; T12-D15 WeakPolarHBondContact OG1-CB 3.36Å; T12-D15 PolarHBondContact OG1-N 2.91Å; T12-D15 PolarHBondContact OG1-OD2 3.43Å; F13-D15 VanDerWaalsContact C-N 3.33Å; F13-D15 PolarHBondContact O-N 3.44Å; D15-K18 PolarHBondContact O-N 3.22Å; D15-E19 VanDerWaalsContact O-CB 3.29Å; D15-E19 WeakPolarHBondContact O-CB 3.39Å; D15-E19 PolarHBondContact O-N 2.61Å
16R98Very high96Very high20 Ų2078.1 Ų78.18%0.07538%0.375CS..Hα-helixtrans-64.1-47.7178.4-68.9-179.1-72.8122.7-4.3111.4F7 R11 T12 F13 A14 K18 E19 V20 D104 D106 F108 Y110F7-R16 HydrophobicContact CD1-CG 4.41Å; F7-R16 HydrophobicContact CE1-CG 3.67Å; F7-R16 HydrophobicContact CZ-CG 4.18Å; R11-R16 HydrophobicContact CB-CG 3.74Å; T12-R16 WeakPolarHBondContact O-CG 3.29Å; T12-R16 PolarHBondContact O-N 2.98Å; T12-R16 VanDerWaalsContact O-N 3.15Å; T12-R16 PolarHBondContact O-NE 2.89Å; F13-R16 PolarHBondContact O-N 3.11Å; F13-R16 VanDerWaalsContact O-N 3.12Å; A14-R16 VanDerWaalsContact C-N 3.34Å; A14-R16 PolarHBondContact O-N 3.12Å; R16-K18 VanDerWaalsContact C-N 3.35Å; R16-K18 PolarHBondContact O-N 3Å; R16-E19 PolarHBondContact O-N 2.53Å; R16-V20 WeakPolarHBondContact O-CG2 3.44Å; R16-V20 PolarHBondContact O-N 3Å; R16-D104 IonicContact NH1-OD1 3.72Å; R16-D106 HydrophobicContact CB-CB 3.91Å; R16-D106 WeakPolarHBondContact CB-OD2 3.27Å; R16-D106 VanDerWaalsContact CD-OD2 3.31Å; R16-D106 WeakPolarHBondContact CD-OD2 3.4Å; R16-D106 IonicContact CZ-OD2 3.53Å; R16-D106 IonicContact NE-OD2 3.77Å; R16-D106 VanDerWaalsContact NH1-CB 3.31Å; R16-D106 IonicContact NH1-OD2 2.61Å; R16-D106 PolarHBondContact NH1-OD2 3.45Å; R16-F108 HydrophobicContact CB-CD2 4.32Å; R16-F108 HydrophobicContact CB-CE2 4.21Å; R16-Y110 WeakPolarHBondContact CD-OH 3.44Å
17C97.9Very high96.3Very high41 Ų4178.7 Ų78.728%0.27737%0.373SS..Hα-helixtrans-57.2-47.7175.6-63.90000111.8F13 A14 E19 V20 Q21F13-C17 WeakPolarHBondContact CE1-SG 3.31Å; F13-C17 VanDerWaalsContact CZ-SG 3.54Å; F13-C17 PolarHBondContact O-N 3.19Å; F13-C17 PolarHBondContact O-SG 3.12Å; F13-C17 VanDerWaalsContact O-SG 3.33Å; A14-C17 PolarHBondContact O-N 2.93Å; C17-E19 VanDerWaalsContact C-N 3.31Å; C17-E19 PolarHBondContact O-N 3.34Å; C17-V20 PolarHBondContact O-N 2.86Å; C17-Q21 PolarHBondContact O-N 3.5Å
18K97.9Very high96.4Very high126 Ų12681.7 Ų81.755%0.54839%0.394SS..Hα-helixtrans-61.5-41.7178.9-176.5178.4179.5179.20111.5A14 D15 R16 Q21 Q22A14-K18 WeakPolarHBondContact O-CB 3.48Å; A14-K18 PolarHBondContact O-N 3.47Å; D15-K18 PolarHBondContact O-N 3.22Å; R16-K18 VanDerWaalsContact C-N 3.35Å; R16-K18 PolarHBondContact O-N 3Å; K18-Q21 PolarHBondContact O-N 3.42Å; K18-Q22 WeakPolarHBondContact O-CG 3.47Å; K18-Q22 PolarHBondContact O-N 3.39Å; K18-Q22 VanDerWaalsContact O-N 3.11Å
19E97.4Very high96.5Very high32 Ų3282.9 Ų82.915%0.1540%0.404CS..Hα-helixtrans-64.5-44.9178.3-171.9177.7157.600111.6D15 R16 C17 Q21 Q22 I23 K51 F108D15-E19 VanDerWaalsContact O-CB 3.29Å; D15-E19 WeakPolarHBondContact O-CB 3.39Å; D15-E19 PolarHBondContact O-N 2.61Å; R16-E19 PolarHBondContact O-N 2.53Å; C17-E19 VanDerWaalsContact C-N 3.31Å; C17-E19 PolarHBondContact O-N 3.34Å; E19-Q21 VanDerWaalsContact C-N 3.34Å; E19-Q21 PolarHBondContact O-N 2.94Å; E19-Q22 PolarHBondContact O-N 2.98Å; E19-I23 HydrophobicContact CG-CD1 3.9Å; E19-I23 VanDerWaalsContact O-CG1 3.27Å; E19-I23 WeakPolarHBondContact O-CG1 3.45Å; E19-I23 PolarHBondContact O-N 3.24Å; E19-K51 VanDerWaalsContact OE1-CD 3.28Å; E19-K51 WeakPolarHBondContact OE1-CD 3.45Å; E19-K51 WeakPolarHBondContact OE1-CE 3.2Å; E19-K51 IonicContact OE1-NZ 2.84Å; E19-K51 PolarHBondContact OE1-NZ 2.87Å; E19-F108 HydrophobicContact CG-CZ 4.19Å
20V97.6Very high96.7Very high12 Ų1280 Ų807%0.07339%0.39CS..Hα-helixtrans-60.8-45.2175.9171.80000111R16 C17 Q22 I23 R24 P32 D106 G107 F108R16-V20 WeakPolarHBondContact O-CG2 3.44Å; R16-V20 PolarHBondContact O-N 3Å; C17-V20 PolarHBondContact O-N 2.86Å; V20-Q22 VanDerWaalsContact C-N 3.32Å; V20-Q22 PolarHBondContact O-N 3.49Å; V20-I23 PolarHBondContact O-N 3.22Å; V20-R24 HydrophobicContact CG1-CG 3.93Å; V20-R24 WeakPolarHBondContact O-CB 3.46Å; V20-R24 VanDerWaalsContact O-CG 3.23Å; V20-R24 WeakPolarHBondContact O-CG 3.39Å; V20-R24 PolarHBondContact O-N 2.78Å; V20-P32 HydrophobicContact CG1-CG 4.24Å; V20-P32 HydrophobicContact CG2-CG 4.4Å; V20-D106 WeakPolarHBondContact CG2-O 3.4Å; V20-G107 WeakPolarHBondContact CG1-O 3.23Å; V20-F108 HydrophobicContact CG2-CD1 4.21Å; V20-F108 HydrophobicContact CG2-CD2 3.25Å; V20-F108 HydrophobicContact CG2-CE1 4.24Å; V20-F108 HydrophobicContact CG2-CE2 3.3Å; V20-F108 HydrophobicContact CG2-CG 3.73Å; V20-F108 HydrophobicContact CG2-CZ 3.81Å
21Q97.2Very high97Very high116 Ų11676.1 Ų76.154%0.54238%0.375SS..Hα-helixtrans-55.1-50.3178-176.4-175.9-10.100111C17 K18 E19 I23 R24 E25C17-Q21 PolarHBondContact O-N 3.5Å; K18-Q21 PolarHBondContact O-N 3.42Å; E19-Q21 VanDerWaalsContact C-N 3.34Å; E19-Q21 PolarHBondContact O-N 2.94Å; Q21-I23 PolarHBondContact O-N 2.75Å; Q21-R24 PolarHBondContact O-N 3.11Å; Q21-E25 WeakPolarHBondContact CG-OE1 3.44Å; Q21-E25 PolarHBondContact NE2-OE1 2.87Å; Q21-E25 WeakPolarHBondContact O-CG 3.49Å; Q21-E25 PolarHBondContact O-N 2.84Å
22Q97.5Very high97.2Very high88 Ų8869.8 Ų69.841%0.41135%0.352SS..Hα-helixtrans-61.6-42.2178.2-70.5178.4-12.100112.5K18 E19 V20 R24 E25 Q26K18-Q22 WeakPolarHBondContact O-CG 3.47Å; K18-Q22 PolarHBondContact O-N 3.39Å; K18-Q22 VanDerWaalsContact O-N 3.11Å; E19-Q22 PolarHBondContact O-N 2.98Å; V20-Q22 VanDerWaalsContact C-N 3.32Å; V20-Q22 PolarHBondContact O-N 3.49Å; Q22-R24 VanDerWaalsContact C-N 3.34Å; Q22-R24 PolarHBondContact O-N 2.54Å; Q22-E25 PolarHBondContact O-N 3.2Å; Q22-Q26 WeakPolarHBondContact O-CB 3.38Å; Q22-Q26 VanDerWaalsContact O-CG 3.29Å; Q22-Q26 WeakPolarHBondContact O-CG 3.18Å; Q22-Q26 PolarHBondContact O-N 2.98Å
23I96.7Very high97.2Very high17 Ų1766 Ų669%0.08733%0.328CS..Hα-helixtrans-62-44.2177.3-72.2165.8000110.6E19 V20 Q21 E25 Q26 H27 P32 L53 F108E19-I23 HydrophobicContact CG-CD1 3.9Å; E19-I23 VanDerWaalsContact O-CG1 3.27Å; E19-I23 WeakPolarHBondContact O-CG1 3.45Å; E19-I23 PolarHBondContact O-N 3.24Å; V20-I23 PolarHBondContact O-N 3.22Å; Q21-I23 PolarHBondContact O-N 2.75Å; I23-E25 VanDerWaalsContact C-N 3.34Å; I23-Q26 PolarHBondContact O-N 2.77Å; I23-H27 WeakPolarHBondContact O-CA 3.46Å; I23-H27 WeakPolarHBondContact O-CB 3.1Å; I23-H27 PolarHBondContact O-N 3.21Å; I23-P32 HydrophobicContact CD1-CB 4.33Å; I23-P32 HydrophobicContact CG2-CB 4.22Å; I23-L53 HydrophobicContact CD1-CD2 4.28Å; I23-L53 HydrophobicContact CG2-CD2 3.46Å; I23-L53 VanDerWaalsContact CG2-CD2 3.46Å; I23-F108 HydrophobicContact CD1-CE1 4.34Å; I23-F108 HydrophobicContact CD1-CZ 4.24Å
24R95.1Very high97.2Very high94 Ų9461.2 Ų61.236%0.35531%0.307SS..Hα-helixtrans-68-34.4-178.4-68.5-71.8-66.4160.70.9111.9V20 Q21 Q22 P28 K30V20-R24 HydrophobicContact CG1-CG 3.93Å; V20-R24 WeakPolarHBondContact O-CB 3.46Å; V20-R24 VanDerWaalsContact O-CG 3.23Å; V20-R24 WeakPolarHBondContact O-CG 3.39Å; V20-R24 PolarHBondContact O-N 2.78Å; Q21-R24 PolarHBondContact O-N 3.11Å; Q22-R24 VanDerWaalsContact C-N 3.34Å; Q22-R24 PolarHBondContact O-N 2.54Å; R24-P28 PolarHBondContact NH1-O 2.77Å; R24-P28 WeakPolarHBondContact O-CA 3.47Å; R24-K30 PolarHBondContact NH1-O 2.59Å
25E96.5Very high97.1Very high129 Ų12958 Ų5860%0.60328%0.28SS*.Hα-helixtrans-67.5-43.4172.5-72.2169.9-17000111.9Q21 Q22 I23Q21-E25 WeakPolarHBondContact CG-OE1 3.44Å; Q21-E25 PolarHBondContact NE2-OE1 2.87Å; Q21-E25 WeakPolarHBondContact O-CG 3.49Å; Q21-E25 PolarHBondContact O-N 2.84Å; Q22-E25 PolarHBondContact O-N 3.2Å; I23-E25 VanDerWaalsContact C-N 3.34Å
26Q97.8Very high97Very high131 Ų13155.9 Ų55.961%0.61227%0.268SS*.Hα-helixtrans-80.2-29.6-177.4-68.2174.124.100113.7Q22 I23Q22-Q26 WeakPolarHBondContact O-CB 3.38Å; Q22-Q26 VanDerWaalsContact O-CG 3.29Å; Q22-Q26 WeakPolarHBondContact O-CG 3.18Å; Q22-Q26 PolarHBondContact O-N 2.98Å; I23-Q26 PolarHBondContact O-N 2.77Å
27H96.9Very high96.8Very high68 Ų6859.1 Ų59.132%0.31528%0.28SS..  trans-138.367.7-172.3-57-47.2000110.9I23 N29 K30I23-H27 WeakPolarHBondContact O-CA 3.46Å; I23-H27 WeakPolarHBondContact O-CB 3.1Å; I23-H27 PolarHBondContact O-N 3.21Å; H27-N29 PolarHBondContact O-N 3.33Å; H27-N29 VanDerWaalsContact O-N 3.17Å; H27-K30 HydrophobicContact CB-CB 3.98Å; H27-K30 HydrophobicContact CB-CD 4.13Å; H27-K30 HydrophobicContact CB-CG 4.1Å; H27-K30 PolarHBondContact O-N 3.43Å
28P95.4Very high96.5Very high76 Ų7661.2 Ų61.249%0.49428%0.283SS..THydrogen-bonded Turntrans-59.6-32.3-17322-33.8000113.8R24 K30R24-P28 PolarHBondContact NH1-O 2.77Å; R24-P28 WeakPolarHBondContact O-CA 3.47Å; P28-K30 VanDerWaalsContact C-N 3.28Å; P28-K30 PolarHBondContact O-N 3.2Å
29N95.8Very high96Very high108 Ų10865 Ų6558%0.57830%0.299SS*.THydrogen-bonded Turntrans-91.115.1-179-53.8-12000112.8H27 P55 D56H27-N29 PolarHBondContact O-N 3.33Å; H27-N29 VanDerWaalsContact O-N 3.17Å; N29-P55 WeakPolarHBondContact O-CA 3.3Å; N29-D56 WeakPolarHBondContact CA-OD2 3.29Å; N29-D56 PolarHBondContact O-N 2.99Å; N29-D56 VanDerWaalsContact O-N 3.09Å
30K97.1Very high95.4Very high79 Ų7965.3 Ų65.334%0.34331%0.311SS..EExtended strand (participates in β ladder)trans-120.9144.5176.2-59.1-167.9-175179.10111R24 H27 P28 L53 V54R24-K30 PolarHBondContact NH1-O 2.59Å; H27-K30 HydrophobicContact CB-CB 3.98Å; H27-K30 HydrophobicContact CB-CD 4.13Å; H27-K30 HydrophobicContact CB-CG 4.1Å; H27-K30 PolarHBondContact O-N 3.43Å; P28-K30 VanDerWaalsContact C-N 3.28Å; P28-K30 PolarHBondContact O-N 3.2Å; K30-L53 HydrophobicContact CB-CB 4.24Å; K30-L53 HydrophobicContact CD-CB 3.77Å; K30-L53 HydrophobicContact CD-CD1 4.43Å; K30-V54 CarbonylContact C-O 3.53Å; K30-V54 WeakPolarHBondContact CA-O 3.48Å
31I97.6Very high95.1Very high5 Ų564.7 Ų64.73%0.02631%0.308CS..EExtended strand (participates in β ladder)trans-101.9123.1177.9-55.7-52.1000108.6V33 V54 D56 I95 Y99I31-V33 HydrophobicContact CB-CG2 4.43Å; I31-V33 HydrophobicContact CG2-CG2 3.91Å; I31-V33 PolarHBondContact O-N 3.16Å; I31-V54 PolarHBondContact N-O 2.88Å; I31-V54 PolarHBondContact O-N 2.87Å; I31-D56 HydrophobicContact CG1-CB 4.49Å; I31-I95 HydrophobicContact CG1-CG2 4.02Å; I31-I95 HydrophobicContact CG2-CG1 4.46Å; I31-Y99 HydrophobicContact CD1-CD1 4.01Å; I31-Y99 HydrophobicContact CD1-CE1 4.48Å; I31-Y99 HydrophobicContact CD1-CG 4.07Å; I31-Y99 HydrophobicContact CG2-CD2 3.32Å; I31-Y99 HydrophobicContact CG2-CE2 3.95Å; I31-Y99 HydrophobicContact CG2-CG 3.66Å
32P97.8Very high94.7Very high0 Ų067.6 Ų67.60%032%0.319CS..EExtended strand (participates in β ladder)trans-77.3113.9174.630.9-32.1000110.3V20 I23 L53 Y99 F108 L109V20-P32 HydrophobicContact CG1-CG 4.24Å; V20-P32 HydrophobicContact CG2-CG 4.4Å; I23-P32 HydrophobicContact CD1-CB 4.33Å; I23-P32 HydrophobicContact CG2-CB 4.22Å; P32-L53 HydrophobicContact CB-CD2 4.29Å; P32-Y99 HydrophobicContact CG-CE2 4.33Å; P32-F108 HydrophobicContact CB-CD1 3.62Å; P32-F108 HydrophobicContact CB-CE1 3.64Å; P32-F108 HydrophobicContact CG-CD1 4.34Å; P32-L109 PolarHBondContact O-N 3.16Å
33V97.5Very high94.3Very high0 Ų069.3 Ų69.30%033%0.327CS..EExtended strand (participates in β ladder)trans-120131.3-177.4-168.10000110.3I31 I35 F52 V54 L109 M111I31-V33 HydrophobicContact CB-CG2 4.43Å; I31-V33 HydrophobicContact CG2-CG2 3.91Å; I31-V33 PolarHBondContact O-N 3.16Å; V33-I35 HydrophobicContact CG1-CD1 4.07Å; V33-I35 HydrophobicContact CG1-CG1 3.68Å; V33-F52 PolarHBondContact N-O 3.21Å; V33-F52 PolarHBondContact O-N 3.2Å; V33-V54 HydrophobicContact CB-CG2 4.3Å; V33-V54 HydrophobicContact CG2-CB 4.3Å; V33-V54 HydrophobicContact CG2-CG2 3.76Å; V33-L109 CarbonylContact C-O 3.54Å; V33-L109 WeakPolarHBondContact CA-O 3.42Å; V33-L109 HydrophobicContact CG1-CB 4.32Å; V33-L109 HydrophobicContact CG1-CG 4.44Å; V33-L109 WeakPolarHBondContact CG1-O 3.48Å; V33-L109 HydrophobicContact CG2-CB 4.29Å; V33-L109 HydrophobicContact CG2-CD2 4.33Å; V33-M111 HydrophobicContact CG1-CE 4.21Å; V33-M111 HydrophobicContact CG1-CG 4.1Å; V33-M111 HydrophobicContact CG1-SD 4.09Å
34I97.3Very high94.1Very high0 Ų068.8 Ų68.80%032%0.324CS..EExtended strand (participates in β ladder)trans-101119.8169.6-58.2-60000108.3F7 E36 T50 K51 F108 L109 Y110 M111F7-I34 HydrophobicContact CB-CG2 3.8Å; F7-I34 HydrophobicContact CD1-CD1 3.79Å; F7-I34 HydrophobicContact CD1-CG1 3.75Å; F7-I34 HydrophobicContact CD1-CG2 4.41Å; F7-I34 HydrophobicContact CD2-CD1 4.23Å; F7-I34 HydrophobicContact CE1-CD1 3.84Å; F7-I34 HydrophobicContact CE1-CG1 4.05Å; F7-I34 HydrophobicContact CE2-CD1 4.28Å; F7-I34 HydrophobicContact CG-CD1 3.98Å; F7-I34 HydrophobicContact CG-CG1 4.22Å; F7-I34 HydrophobicContact CG-CG2 4.22Å; F7-I34 HydrophobicContact CZ-CD1 4.09Å; I34-E36 HydrophobicContact CG2-CG 3.91Å; I34-T50 CarbonylContact C-O 3.5Å; I34-T50 VanDerWaalsContact CA-O 3.3Å; I34-T50 WeakPolarHBondContact CA-O 3.17Å; I34-K51 HydrophobicContact CD1-CB 3.85Å; I34-K51 HydrophobicContact CD1-CD 4.35Å; I34-K51 HydrophobicContact CD1-CG 3.83Å; I34-F108 HydrophobicContact CD1-CD1 3.83Å; I34-F108 HydrophobicContact CD1-CE1 3.88Å; I34-F108 HydrophobicContact CD1-CG 4.46Å; I34-F108 HydrophobicContact CG1-CB 4.13Å; I34-F108 HydrophobicContact CG1-CD1 3.64Å; I34-F108 HydrophobicContact CG1-CE1 4.22Å; I34-F108 HydrophobicContact CG1-CG 3.94Å; I34-L109 PolarHBondContact N-O 3.3Å; I34-Y110 HydrophobicContact CB-CD1 3.78Å; I34-Y110 HydrophobicContact CB-CE1 3.87Å; I34-Y110 HydrophobicContact CB-CG 4.47Å; I34-Y110 HydrophobicContact CG1-CD1 4.31Å; I34-Y110 HydrophobicContact CG1-CE1 3.91Å; I34-Y110 HydrophobicContact CG2-CD1 3.93Å; I34-Y110 HydrophobicContact CG2-CE1 3.97Å; I34-M111 PolarHBondContact O-N 3.27Å
35I96.3Very high94Very high0 Ų067.2 Ų67.20%033%0.326CS..EExtended strand (participates in β ladder)trans-121.2113179.8-53177.7000108.3V33 L47 T50 F52 L63 I67 L81 M111 Y113V33-I35 HydrophobicContact CG1-CD1 4.07Å; V33-I35 HydrophobicContact CG1-CG1 3.68Å; I35-L47 HydrophobicContact CB-CD1 4.43Å; I35-L47 HydrophobicContact CG2-CD1 3.98Å; I35-T50 PolarHBondContact N-O 2.99Å; I35-T50 WeakPolarHBondContact O-CA 3.5Å; I35-T50 WeakPolarHBondContact O-CB 3.28Å; I35-F52 HydrophobicContact CB-CD2 4.02Å; I35-F52 HydrophobicContact CB-CE2 3.86Å; I35-F52 HydrophobicContact CD1-CD2 3.81Å; I35-F52 HydrophobicContact CD1-CE2 4.13Å; I35-F52 HydrophobicContact CD1-CG 4.29Å; I35-F52 HydrophobicContact CG1-CD2 3.9Å; I35-F52 HydrophobicContact CG1-CE2 4.21Å; I35-L63 HydrophobicContact CD1-CD1 4.23Å; I35-I67 HydrophobicContact CD1-CD1 3.58Å; I35-I67 HydrophobicContact CD1-CG1 3.99Å; I35-I67 HydrophobicContact CG2-CD1 4.45Å; I35-L81 HydrophobicContact CG2-CD1 3.86Å; I35-M111 WeakPolarHBondContact CA-O 3.2Å; I35-M111 HydrophobicContact CG1-CB 4.26Å; I35-Y113 HydrophobicContact CG2-CD1 4.03Å
36E95Very high93.8Very high31 Ų3164.9 Ų64.915%0.14532%0.32CS..EExtended strand (participates in β ladder)trans-121.6160.2-177.9-65.5-173.9138.100111.3P6 F7 R10 I34 T50 M111 V112 Y113P6-E36 WeakPolarHBondContact CA-OE2 3.48Å; F7-E36 WeakPolarHBondContact CB-OE1 3.37Å; F7-E36 PolarHBondContact N-OE1 3.48Å; F7-E36 PolarHBondContact N-OE2 3.42Å; R10-E36 IonicContact CZ-OE1 2.54Å; R10-E36 IonicContact NH2-OE1 3.79Å; R10-E36 PolarHBondContact NH2-OE1 3.33Å; I34-E36 HydrophobicContact CG2-CG 3.91Å; E36-T50 HydrophobicContact CG-CG2 4.08Å; E36-M111 PolarHBondContact N-O 3.44Å; E36-V112 CarbonylContact O-C 3.55Å; E36-V112 WeakPolarHBondContact O-CA 3.4Å; E36-Y113 WeakPolarHBondContact O-CD1 3.44Å; E36-Y113 PolarHBondContact O-N 3.17Å
37R93.9Very high93.5Very high88 Ų8858.8 Ų58.833%0.33229%0.292SS..EExtended strand (participates in β ladder)trans-72.6136173.8-164.4172.585.9179.5-0.6108.9E41 L44 Y113R37-E41 HydrophobicContact CG-CB 3.84Å; R37-E41 HydrophobicContact CG-CG 3.7Å; R37-E41 PolarHBondContact NE-O 2.87Å; R37-E41 PolarHBondContact NH2-O 2.79Å; R37-L44 PolarHBondContact NH1-O 2.82Å; R37-Y113 VanDerWaalsContact CA-CE1 3.49Å; R37-Y113 HydrophobicContact CB-CE1 3.86Å; R37-Y113 HydrophobicContact CB-CE2 4.11Å; R37-Y113 HydrophobicContact CG-CD2 4.38Å; R37-Y113 HydrophobicContact CG-CE1 4.37Å; R37-Y113 HydrophobicContact CG-CE2 3.7Å
38Y92.1Very high93.2Very high85 Ų8560.2 Ų60.233%0.33330%0.302SS..  trans-57.8142.6174.3-175-105.5000111G40 E41 V112 Y113 A114 T118Y38-G40 VanDerWaalsContact CD1-N 3.32Å; Y38-G40 PolarHBondContact O-N 2.9Å; Y38-E41 WeakPolarHBondContact O-CB 3.42Å; Y38-E41 PolarHBondContact O-N 3.05Å; Y38-V112 HydrophobicContact CD2-CB 4.44Å; Y38-V112 HydrophobicContact CD2-CG2 3.95Å; Y38-Y113 WeakPolarHBondContact CB-O 3.31Å; Y38-Y113 PolarHBondContact N-O 3.06Å; Y38-A114 HydrophobicContact CG-CB 4.37Å; Y38-T118 HydrophobicContact CD1-CG2 3.9Å; Y38-T118 HydrophobicContact CE1-CG2 4.31Å
39K87.4Confident93Very high205 Ų20562.6 Ų62.689%0.89131%0.305SS*.THydrogen-bonded Turntrans-60.1-32.4-173-172.5179.8177.3-174.30113.3
40G85.8Confident92.9Very high39 Ų3959 Ų5940%0.40229%0.286SS..THydrogen-bonded Turntrans-86.1-11.3177.400000114.8Y38Y38-G40 VanDerWaalsContact CD1-N 3.32Å; Y38-G40 PolarHBondContact O-N 2.9Å
41E90.3Very high92.8Very high0 Ų059.8 Ų59.80%029%0.29CS..  trans-75.5127.9-176.2174.553.8-121.500110.7R37 Y38 Q43 L44 S115 T118R37-E41 HydrophobicContact CG-CB 3.84Å; R37-E41 HydrophobicContact CG-CG 3.7Å; R37-E41 PolarHBondContact NE-O 2.87Å; R37-E41 PolarHBondContact NH2-O 2.79Å; Y38-E41 WeakPolarHBondContact O-CB 3.42Å; Y38-E41 PolarHBondContact O-N 3.05Å; E41-Q43 WeakPolarHBondContact OE1-CA 3.4Å; E41-Q43 WeakPolarHBondContact OE1-CB 3.49Å; E41-Q43 PolarHBondContact OE1-N 3Å; E41-L44 HydrophobicContact CG-CB 3.96Å; E41-L44 HydrophobicContact CG-CD1 4.34Å; E41-L44 HydrophobicContact CG-CG 4.23Å; E41-L44 PolarHBondContact OE1-N 2.75Å; E41-S115 WeakPolarHBondContact OE2-CB 3.46Å; E41-S115 PolarHBondContact OE2-N 2.79Å; E41-S115 PolarHBondContact OE2-OG 2.79Å; E41-T118 HydrophobicContact CB-CG2 4.29Å; E41-T118 VanDerWaalsContact OE2-CB 3.26Å; E41-T118 WeakPolarHBondContact OE2-CB 3.28Å; E41-T118 PolarHBondContact OE2-OG1 3.39Å
42K88.6Confident92.8Very high177 Ų17760.7 Ų60.777%0.7729%0.294SS*.  trans-129.5-15.6-175.5-66.8-178.4-177177.10114.2
43Q89.4Confident92.7Very high124 Ų12463.8 Ų63.858%0.57931%0.31SS*.SBendtrans-90.4-39.3-176.1-58.9-175.9-7.600111.7E41 E117E41-Q43 WeakPolarHBondContact OE1-CA 3.4Å; E41-Q43 WeakPolarHBondContact OE1-CB 3.49Å; E41-Q43 PolarHBondContact OE1-N 3Å; Q43-E117 PolarHBondContact OE1-OE2 2.96Å; Q43-E117 VanDerWaalsContact OE1-OE2 3.09Å
44L92.5Very high92.7Very high6 Ų664.1 Ų64.13%0.03131%0.312CS..SBendtrans-77.2142.6-178.8-60-178.6000111.8R37 E41 L73 F79 Y113R37-L44 PolarHBondContact NH1-O 2.82Å; E41-L44 HydrophobicContact CG-CB 3.96Å; E41-L44 HydrophobicContact CG-CD1 4.34Å; E41-L44 HydrophobicContact CG-CG 4.23Å; E41-L44 PolarHBondContact OE1-N 2.75Å; L44-L73 HydrophobicContact CD2-CD1 4.21Å; L44-L73 HydrophobicContact CD2-CD2 3.89Å; L44-F79 HydrophobicContact CD1-CB 3.65Å; L44-Y113 HydrophobicContact CB-CD2 4.33Å; L44-Y113 HydrophobicContact CB-CE2 3.98Å; L44-Y113 HydrophobicContact CD1-CD2 3.82Å; L44-Y113 HydrophobicContact CD1-CE2 4.32Å
45P93.1Very high92.7Very high60 Ų6066.4 Ų66.439%0.3933%0.327SS..PPolyproline II helixtrans-64.4161.9176.925.6-30.6000111.5L71 L73 Y113P45-L71 HydrophobicContact CG-CB 4.2Å; P45-L71 HydrophobicContact CG-CD2 4.02Å; P45-L71 WeakPolarHBondContact CG-O 3.17Å; P45-L71 VanDerWaalsContact O-CD2 3.27Å; P45-L71 WeakPolarHBondContact O-CD2 3.39Å; P45-L73 HydrophobicContact CG-CD2 4.24Å; P45-Y113 WeakPolarHBondContact O-CE2 3.47Å; P45-Y113 PolarHBondContact O-OH 2.98Å
46V91.9Very high92.7Very high80 Ų8068.9 Ų68.949%0.48534%0.34SS..PPolyproline II helixtrans-86.8133.6176.3-176.90000109.4Y113V46-Y113 WeakPolarHBondContact CA-OH 3.49Å
47L92.8Very high92.6Very high3 Ų374 Ų742%0.01636%0.363CS..PPolyproline II helixtrans-63142.2172.8-73.1171.2000111.6I35 K49 F52 I67 R70 L71 Y113I35-L47 HydrophobicContact CB-CD1 4.43Å; I35-L47 HydrophobicContact CG2-CD1 3.98Å; L47-K49 VanDerWaalsContact C-N 3.26Å; L47-K49 WeakPolarHBondContact CB-O 3.35Å; L47-K49 PolarHBondContact O-N 3.17Å; L47-F52 HydrophobicContact CD1-CE2 4.2Å; L47-F52 HydrophobicContact CD1-CZ 4.11Å; L47-I67 HydrophobicContact CD1-CD1 4.48Å; L47-R70 HydrophobicContact CD2-CB 3.59Å; L47-L71 HydrophobicContact CD2-CD2 3.65Å; L47-L71 HydrophobicContact CD2-CG 3.83Å; L47-L71 HydrophobicContact CG-CD2 3.81Å; L47-L71 HydrophobicContact CG-CG 4.38Å; L47-Y113 HydrophobicContact CD1-CD1 4.15Å; L47-Y113 HydrophobicContact CD1-CE1 3.66Å; L47-Y113 HydrophobicContact CG-CE1 3.87Å; L47-Y113 PolarHBondContact N-OH 3.37Å; L47-Y113 VanDerWaalsContact N-OH 3.17Å
48D88.9Confident92.7Very high99 Ų9970.4 Ų70.453%0.52935%0.351SS..SBendtrans-64.3-33.8173.366.1-46.5000112.2R70D48-R70 IonicContact OD1-NH1 3.43Å; D48-R70 PolarHBondContact OD1-NH1 3.42Å; D48-R70 IonicContact OD2-NH1 3.31Å; D48-R70 PolarHBondContact OD2-NH1 3.01Å
49K91.7Very high92.8Very high126 Ų12668.1 Ų68.155%0.54835%0.345SS..  trans-132.4136.7179.8-65.3179-174.6-176.30109.8L47 F52L47-K49 VanDerWaalsContact C-N 3.26Å; L47-K49 WeakPolarHBondContact CB-O 3.35Å; L47-K49 PolarHBondContact O-N 3.17Å; K49-F52 WeakPolarHBondContact O-CE2 3.33Å; K49-F52 WeakPolarHBondContact O-CZ 3.32Å
50T93.9Very high93Very high31 Ų3158.7 Ų58.719%0.1930%0.304CS..  trans-104.3-10178.363.20000113.1R10 I34 I35 E36R10-T50 PolarHBondContact NH2-OG1 3.43Å; I34-T50 CarbonylContact C-O 3.5Å; I34-T50 VanDerWaalsContact CA-O 3.3Å; I34-T50 WeakPolarHBondContact CA-O 3.17Å; I35-T50 PolarHBondContact N-O 2.99Å; I35-T50 WeakPolarHBondContact O-CA 3.5Å; I35-T50 WeakPolarHBondContact O-CB 3.28Å; E36-T50 HydrophobicContact CG-CG2 4.08Å
51K95.6Very high93.4Very high97 Ų9758.5 Ų58.542%0.42230%0.297SS..EExtended strand (participates in β ladder)trans-110.9126.5-179.3-177.3176.759.6169.20110.2E19 I34 F108E19-K51 VanDerWaalsContact OE1-CD 3.28Å; E19-K51 WeakPolarHBondContact OE1-CD 3.45Å; E19-K51 WeakPolarHBondContact OE1-CE 3.2Å; E19-K51 IonicContact OE1-NZ 2.84Å; E19-K51 PolarHBondContact OE1-NZ 2.87Å; I34-K51 HydrophobicContact CD1-CB 3.85Å; I34-K51 HydrophobicContact CD1-CD 4.35Å; I34-K51 HydrophobicContact CD1-CG 3.83Å; K51-F108 HydrophobicContact CD-CE1 4.19Å; K51-F108 HydrophobicContact CD-CZ 4.39Å; K51-F108 HydrophobicContact CG-CE1 4.39Å
52F96.7Very high93.6Very high23 Ų2362.4 Ų62.410%0.10132%0.315CS..EExtended strand (participates in β ladder)trans-127.8146.3-174.8-62.9-93.6000110.5V33 I35 L47 K49 V54 I67V33-F52 PolarHBondContact N-O 3.21Å; V33-F52 PolarHBondContact O-N 3.2Å; I35-F52 HydrophobicContact CB-CD2 4.02Å; I35-F52 HydrophobicContact CB-CE2 3.86Å; I35-F52 HydrophobicContact CD1-CD2 3.81Å; I35-F52 HydrophobicContact CD1-CE2 4.13Å; I35-F52 HydrophobicContact CD1-CG 4.29Å; I35-F52 HydrophobicContact CG1-CD2 3.9Å; I35-F52 HydrophobicContact CG1-CE2 4.21Å; L47-F52 HydrophobicContact CD1-CE2 4.2Å; L47-F52 HydrophobicContact CD1-CZ 4.11Å; K49-F52 WeakPolarHBondContact O-CE2 3.33Å; K49-F52 WeakPolarHBondContact O-CZ 3.32Å; F52-V54 HydrophobicContact CB-CG2 4.15Å; F52-I67 HydrophobicContact CE1-CD1 4.15Å; F52-I67 HydrophobicContact CE2-CD1 4.38Å; F52-I67 HydrophobicContact CZ-CD1 3.99Å
53L97.1Very high93.9Very high65 Ų6554 Ų5434%0.3428%0.279SS..EExtended strand (participates in β ladder)trans-112.7102.6168.1-63.7-178.4000107.5I23 K30 P32I23-L53 HydrophobicContact CD1-CD2 4.28Å; I23-L53 HydrophobicContact CG2-CD2 3.46Å; I23-L53 VanDerWaalsContact CG2-CD2 3.46Å; K30-L53 HydrophobicContact CB-CB 4.24Å; K30-L53 HydrophobicContact CD-CB 3.77Å; K30-L53 HydrophobicContact CD-CD1 4.43Å; P32-L53 HydrophobicContact CB-CD2 4.29Å
54V97.1Very high94.1Very high8 Ų850 Ų505%0.04826%0.262CS..EExtended strand (participates in β ladder)trans-98.9128.5-173.9-172.10000108.7K30 I31 V33 F52 V58 L63 I95K30-V54 CarbonylContact C-O 3.53Å; K30-V54 WeakPolarHBondContact CA-O 3.48Å; I31-V54 PolarHBondContact N-O 2.88Å; I31-V54 PolarHBondContact O-N 2.87Å; V33-V54 HydrophobicContact CB-CG2 4.3Å; V33-V54 HydrophobicContact CG2-CB 4.3Å; V33-V54 HydrophobicContact CG2-CG2 3.76Å; F52-V54 HydrophobicContact CB-CG2 4.15Å; V54-V58 HydrophobicContact CG1-CB 3.84Å; V54-V58 HydrophobicContact CG1-CG1 3.83Å; V54-V58 HydrophobicContact CG1-CG2 4.41Å; V54-L63 HydrophobicContact CG1-CD1 4.44Å; V54-L63 HydrophobicContact CG2-CD1 4Å; V54-I95 HydrophobicContact CG1-CG1 4.44Å; V54-I95 HydrophobicContact CG1-CG2 4.06Å
55P97.6Very high94.2Very high47 Ų4755.5 Ų55.531%0.30529%0.286SS..EExtended strand (participates in β ladder)trans-57.4140.3173-19.829.9000111.6N29 H57 V58 I95N29-P55 WeakPolarHBondContact O-CA 3.3Å; P55-H57 VanDerWaalsContact C-N 3.3Å; P55-H57 WeakPolarHBondContact CB-CE1 3.37Å; P55-H57 PolarHBondContact O-N 3.06Å; P55-V58 HydrophobicContact CB-CG2 3.97Å; P55-V58 HydrophobicContact CG-CG2 4.03Å; P55-V58 WeakPolarHBondContact O-CB 3.48Å; P55-V58 PolarHBondContact O-N 2.97Å; P55-V58 VanDerWaalsContact O-N 3.1Å; P55-I95 VanDerWaalsContact O-CG2 3.26Å; P55-I95 WeakPolarHBondContact O-CG2 3.35Å
56D95.2Very high94.2Very high53 Ų5355.4 Ų55.428%0.28328%0.281SS..THydrogen-bonded Turntrans-55.3-35.1-176.451.413.8000115.8N29 I31 V58 I95 S96N29-D56 WeakPolarHBondContact CA-OD2 3.29Å; N29-D56 PolarHBondContact O-N 2.99Å; N29-D56 VanDerWaalsContact O-N 3.09Å; I31-D56 HydrophobicContact CG1-CB 4.49Å; D56-V58 VanDerWaalsContact C-N 3.32Å; D56-I95 WeakPolarHBondContact O-CG2 3.48Å; D56-S96 PolarHBondContact O-N 3.36Å; D56-S96 PolarHBondContact O-OG 2.8Å
57H92.5Very high94.4Very high137 Ų13751.6 Ų51.663%0.63426%0.258SS*.THydrogen-bonded Turntrans-79.4-10.9179.761.8-83.7000114.2P55 N59P55-H57 VanDerWaalsContact C-N 3.3Å; P55-H57 WeakPolarHBondContact CB-CE1 3.37Å; P55-H57 PolarHBondContact O-N 3.06Å; H57-N59 PolarHBondContact O-N 2.74Å
58V95.8Very high94.5Very high13 Ų1354.5 Ų54.58%0.07927%0.269CS..  trans-68.4129.5178.2168.90000108.8V54 P55 D56 E62 L63 I95V54-V58 HydrophobicContact CG1-CB 3.84Å; V54-V58 HydrophobicContact CG1-CG1 3.83Å; V54-V58 HydrophobicContact CG1-CG2 4.41Å; P55-V58 HydrophobicContact CB-CG2 3.97Å; P55-V58 HydrophobicContact CG-CG2 4.03Å; P55-V58 WeakPolarHBondContact O-CB 3.48Å; P55-V58 PolarHBondContact O-N 2.97Å; P55-V58 VanDerWaalsContact O-N 3.1Å; D56-V58 VanDerWaalsContact C-N 3.32Å; V58-E62 WeakPolarHBondContact CA-OE2 3.36Å; V58-E62 HydrophobicContact CG1-CB 3.75Å; V58-L63 HydrophobicContact CG1-CB 4.49Å; V58-I95 VanDerWaalsContact O-CB 3.3Å; V58-I95 WeakPolarHBondContact O-CB 3.3Å; V58-I95 VanDerWaalsContact O-CG2 3.29Å; V58-I95 WeakPolarHBondContact O-CG2 3.29Å; V58-I95 PolarHBondContact O-N 3.37Å
59N94.7Very high94.7Very high38 Ų3858.4 Ų58.420%0.20328%0.276CS..BIsolated β-bridgetrans-89169.6175.964.247.6000112.3H57 S61 E62 L63 T93H57-N59 PolarHBondContact O-N 2.74Å; N59-S61 VanDerWaalsContact C-N 3.28Å; N59-S61 PolarHBondContact O-N 3.43Å; N59-S61 WeakPolarHBondContact OD1-CB 3.41Å; N59-S61 PolarHBondContact OD1-N 3.03Å; N59-S61 VanDerWaalsContact OD1-N 3.08Å; N59-S61 PolarHBondContact OD1-OG 3.21Å; N59-E62 PolarHBondContact N-OE2 2.8Å; N59-E62 PolarHBondContact O-N 3.22Å; N59-E62 WeakPolarHBondContact OD1-CG 3.49Å; N59-E62 PolarHBondContact OD1-N 3.49Å; N59-L63 PolarHBondContact O-N 3.44Å; N59-T93 WeakPolarHBondContact CA-O 3.5Å
60M92.9Very high94.9Very high7 Ų757.8 Ų57.83%0.03427%0.271CS..Hα-helixtrans-59.1-35.6179.3-76.7-58.8-67.300113.7E62 L63 V64 L81 V91 T93 I95 I98 M111M60-E62 VanDerWaalsContact C-N 3.32Å; M60-E62 PolarHBondContact O-N 3.32Å; M60-L63 PolarHBondContact O-N 3.17Å; M60-L63 HydrophobicContact SD-CD2 4.09Å; M60-V64 WeakPolarHBondContact O-CB 3.13Å; M60-V64 VanDerWaalsContact O-CG2 3.27Å; M60-V64 WeakPolarHBondContact O-CG2 3.46Å; M60-V64 PolarHBondContact O-N 2.99Å; M60-L81 HydrophobicContact CE-CD2 3.87Å; M60-L81 HydrophobicContact CE-CG 4.29Å; M60-V91 PolarHBondContact N-O 3.31Å; M60-T93 PolarHBondContact N-O 3.39Å; M60-T93 VanDerWaalsContact N-O 3.08Å; M60-I95 HydrophobicContact SD-CD1 3.88Å; M60-I98 HydrophobicContact CG-CD1 3.15Å; M60-I98 HydrophobicContact SD-CD1 3.4Å; M60-I98 WeakPolarHBondContact SD-CD1 3.31Å; M60-M111 HydrophobicContact CE-CE 4.35Å; M60-M111 HydrophobicContact CE-SD 4.33Å; M60-M111 HydrophobicContact SD-CE 4.04Å
61S93Very high94.9Very high35 Ų3556.8 Ų56.825%0.24526%0.264CS..Hα-helixtrans-63.1-39.4178.583.90000112.2N59 K65 V91N59-S61 VanDerWaalsContact C-N 3.28Å; N59-S61 PolarHBondContact O-N 3.43Å; N59-S61 WeakPolarHBondContact OD1-CB 3.41Å; N59-S61 PolarHBondContact OD1-N 3.03Å; N59-S61 VanDerWaalsContact OD1-N 3.08Å; N59-S61 PolarHBondContact OD1-OG 3.21Å; S61-K65 VanDerWaalsContact O-CG 3.31Å; S61-K65 WeakPolarHBondContact O-CG 3.33Å; S61-K65 PolarHBondContact O-N 2.95Å; S61-K65 VanDerWaalsContact O-N 3.08Å; S61-V91 WeakPolarHBondContact CB-O 3.28Å; S61-V91 PolarHBondContact N-O 3.46Å
62E95.4Very high94.8Very high81 Ų8160.4 Ų60.438%0.37928%0.282SS..Hα-helixtrans-71.2-41.5177.1-71.8177.4146.100111.1V58 N59 M60 V64 K65 I66V58-E62 WeakPolarHBondContact CA-OE2 3.36Å; V58-E62 HydrophobicContact CG1-CB 3.75Å; N59-E62 PolarHBondContact N-OE2 2.8Å; N59-E62 PolarHBondContact O-N 3.22Å; N59-E62 WeakPolarHBondContact OD1-CG 3.49Å; N59-E62 PolarHBondContact OD1-N 3.49Å; M60-E62 VanDerWaalsContact C-N 3.32Å; M60-E62 PolarHBondContact O-N 3.32Å; E62-V64 PolarHBondContact O-N 3Å; E62-K65 WeakPolarHBondContact O-CB 3.48Å; E62-K65 PolarHBondContact O-N 2.65Å; E62-I66 WeakPolarHBondContact O-CG1 3.12Å; E62-I66 PolarHBondContact O-N 3.19Å
63L94.9Very high94.6Very high2 Ų260.1 Ų60.11%0.0128%0.282CS..Hα-helixtrans-60-45.6174.2-176.157.9000111.3I35 V54 V58 N59 M60 K65 I66 I67 L81 I95 M111I35-L63 HydrophobicContact CD1-CD1 4.23Å; V54-L63 HydrophobicContact CG1-CD1 4.44Å; V54-L63 HydrophobicContact CG2-CD1 4Å; V58-L63 HydrophobicContact CG1-CB 4.49Å; N59-L63 PolarHBondContact O-N 3.44Å; M60-L63 PolarHBondContact O-N 3.17Å; M60-L63 HydrophobicContact SD-CD2 4.09Å; L63-K65 VanDerWaalsContact C-N 3.31Å; L63-K65 PolarHBondContact O-N 3.31Å; L63-I66 WeakPolarHBondContact O-CB 3.42Å; L63-I66 PolarHBondContact O-N 3.43Å; L63-I67 HydrophobicContact CD1-CG1 4.33Å; L63-I67 WeakPolarHBondContact O-CG1 3.34Å; L63-I67 PolarHBondContact O-N 3.26Å; L63-L81 HydrophobicContact CD2-CD2 3.91Å; L63-L81 HydrophobicContact CG-CD2 3.95Å; L63-I95 HydrophobicContact CD2-CD1 3.87Å; L63-M111 HydrophobicContact CD2-CE 4.13Å; L63-M111 HydrophobicContact CD2-SD 3.92Å
64V93.4Very high94.3Very high38 Ų3861.5 Ų61.523%0.2329%0.29CS..Hα-helixtrans-57.9-42.6174.3167.70000111.3M60 E62 I66 I67 R68 F79 L81M60-V64 WeakPolarHBondContact O-CB 3.13Å; M60-V64 VanDerWaalsContact O-CG2 3.27Å; M60-V64 WeakPolarHBondContact O-CG2 3.46Å; M60-V64 PolarHBondContact O-N 2.99Å; E62-V64 PolarHBondContact O-N 3Å; V64-I66 VanDerWaalsContact C-N 3.33Å; V64-I66 PolarHBondContact O-N 2.93Å; V64-I67 PolarHBondContact O-N 2.82Å; V64-R68 VanDerWaalsContact O-CB 3.3Å; V64-R68 WeakPolarHBondContact O-CB 3.39Å; V64-R68 PolarHBondContact O-N 2.9Å; V64-F79 HydrophobicContact CG1-CE1 4.08Å; V64-F79 HydrophobicContact CG1-CZ 3.88Å; V64-L81 HydrophobicContact CG2-CB 4.22Å; V64-L81 HydrophobicContact CG2-CD2 4.29Å
65K93.4Very high93.8Very high123 Ų12367 Ų6754%0.53533%0.326SS..Hα-helixtrans-63.6-35.7174.9-71.5168.1-174.1169.90112.6S61 E62 L63 R69S61-K65 VanDerWaalsContact O-CG 3.31Å; S61-K65 WeakPolarHBondContact O-CG 3.33Å; S61-K65 PolarHBondContact O-N 2.95Å; S61-K65 VanDerWaalsContact O-N 3.08Å; E62-K65 WeakPolarHBondContact O-CB 3.48Å; E62-K65 PolarHBondContact O-N 2.65Å; L63-K65 VanDerWaalsContact C-N 3.31Å; L63-K65 PolarHBondContact O-N 3.31Å; K65-R69 WeakPolarHBondContact O-CG 3.21Å; K65-R69 PolarHBondContact O-N 3.4Å; K65-R69 PolarHBondContact O-NE 3Å
66I94.6Very high93.3Very high57 Ų5771 Ų7129%0.29235%0.35SS..Hα-helixtrans-66.8-49.3175.9-68.3163.3000110E62 L63 V64 R68 R69 R70E62-I66 WeakPolarHBondContact O-CG1 3.12Å; E62-I66 PolarHBondContact O-N 3.19Å; L63-I66 WeakPolarHBondContact O-CB 3.42Å; L63-I66 PolarHBondContact O-N 3.43Å; V64-I66 VanDerWaalsContact C-N 3.33Å; V64-I66 PolarHBondContact O-N 2.93Å; I66-R68 PolarHBondContact O-N 3Å; I66-R69 PolarHBondContact O-N 3.09Å; I66-R70 WeakPolarHBondContact O-CG 3.16Å; I66-R70 PolarHBondContact O-N 3.1Å
67I95.3Very high92.9Very high0 Ų072.2 Ų72.20%035%0.353CS..Hα-helixtrans-65.3-40-179.3-60.2-54000111.4I35 L47 F52 L63 V64 R69 R70 L71 F79I35-I67 HydrophobicContact CD1-CD1 3.58Å; I35-I67 HydrophobicContact CD1-CG1 3.99Å; I35-I67 HydrophobicContact CG2-CD1 4.45Å; L47-I67 HydrophobicContact CD1-CD1 4.48Å; F52-I67 HydrophobicContact CE1-CD1 4.15Å; F52-I67 HydrophobicContact CE2-CD1 4.38Å; F52-I67 HydrophobicContact CZ-CD1 3.99Å; L63-I67 HydrophobicContact CD1-CG1 4.33Å; L63-I67 WeakPolarHBondContact O-CG1 3.34Å; L63-I67 PolarHBondContact O-N 3.26Å; V64-I67 PolarHBondContact O-N 2.82Å; I67-R69 VanDerWaalsContact C-N 3.32Å; I67-R69 PolarHBondContact O-N 2.92Å; I67-R70 PolarHBondContact O-N 3.48Å; I67-R70 VanDerWaalsContact O-N 3.17Å; I67-L71 HydrophobicContact CG2-CD1 3.79Å; I67-L71 HydrophobicContact CG2-CG 4.21Å; I67-L71 WeakPolarHBondContact O-CB 3.16Å; I67-L71 WeakPolarHBondContact O-CG 3.35Å; I67-L71 PolarHBondContact O-N 2.86Å; I67-F79 HydrophobicContact CB-CE2 4.33Å; I67-F79 HydrophobicContact CB-CZ 4.14Å; I67-F79 HydrophobicContact CG2-CE2 3.84Å; I67-F79 HydrophobicContact CG2-CZ 4.03Å
68R94.3Very high92.6Very high65 Ų6567.6 Ų67.625%0.24534%0.339CS..Hα-helixtrans-53.3-48.3172.5-173.8175-80.4-88.3-2.9112.3V64 I66 L71 Q72 L73 N74 Q77 F79V64-R68 VanDerWaalsContact O-CB 3.3Å; V64-R68 WeakPolarHBondContact O-CB 3.39Å; V64-R68 PolarHBondContact O-N 2.9Å; I66-R68 PolarHBondContact O-N 3Å; R68-L71 PolarHBondContact O-N 3.3Å; R68-Q72 PolarHBondContact O-N 3.12Å; R68-Q72 VanDerWaalsContact O-N 3.09Å; R68-L73 HydrophobicContact CG-CB 4.1Å; R68-L73 PolarHBondContact O-N 3.21Å; R68-N74 PolarHBondContact NH1-O 3.43Å; R68-Q77 VanDerWaalsContact CZ-O 3.29Å; R68-Q77 PolarHBondContact NH1-O 2.9Å; R68-Q77 PolarHBondContact NH2-O 3.42Å; R68-F79 HydrophobicContact CB-CE1 3.83Å; R68-F79 HydrophobicContact CB-CZ 4.32Å; R68-F79 HydrophobicContact CG-CE1 4.33Å
69R94.1Very high92.4Very high180 Ų18067.7 Ų67.768%0.67934%0.338SS*.Hα-helixtrans-65.2-39.6179.4-75.7-177.3-73.9-173.9-0.7111.9K65 I66 I67 Q72K65-R69 WeakPolarHBondContact O-CG 3.21Å; K65-R69 PolarHBondContact O-N 3.4Å; K65-R69 PolarHBondContact O-NE 3Å; I66-R69 PolarHBondContact O-N 3.09Å; I67-R69 VanDerWaalsContact C-N 3.32Å; I67-R69 PolarHBondContact O-N 2.92Å; R69-Q72 PolarHBondContact O-N 3.4Å
70R94.8Very high92.2Very high114 Ų11469 Ų6943%0.4334%0.342SS..Hα-helixtrans-65.9-39.1176.9-72.2-70.5-170.8138.5-3.6112.9L47 D48 I66 I67 Q72L47-R70 HydrophobicContact CD2-CB 3.59Å; D48-R70 IonicContact OD1-NH1 3.43Å; D48-R70 PolarHBondContact OD1-NH1 3.42Å; D48-R70 IonicContact OD2-NH1 3.31Å; D48-R70 PolarHBondContact OD2-NH1 3.01Å; I66-R70 WeakPolarHBondContact O-CG 3.16Å; I66-R70 PolarHBondContact O-N 3.1Å; I67-R70 PolarHBondContact O-N 3.48Å; I67-R70 VanDerWaalsContact O-N 3.17Å; R70-Q72 PolarHBondContact O-N 3.22Å
71L94.4Very high92.2Very high10 Ų1069.5 Ų69.55%0.05235%0.345CS..THydrogen-bonded Turntrans-76.3-7.3174.6-69.6174.1000113.1P45 L47 I67 R68 L73 Y113P45-L71 HydrophobicContact CG-CB 4.2Å; P45-L71 HydrophobicContact CG-CD2 4.02Å; P45-L71 WeakPolarHBondContact CG-O 3.17Å; P45-L71 VanDerWaalsContact O-CD2 3.27Å; P45-L71 WeakPolarHBondContact O-CD2 3.39Å; L47-L71 HydrophobicContact CD2-CD2 3.65Å; L47-L71 HydrophobicContact CD2-CG 3.83Å; L47-L71 HydrophobicContact CG-CD2 3.81Å; L47-L71 HydrophobicContact CG-CG 4.38Å; I67-L71 HydrophobicContact CG2-CD1 3.79Å; I67-L71 HydrophobicContact CG2-CG 4.21Å; I67-L71 WeakPolarHBondContact O-CB 3.16Å; I67-L71 WeakPolarHBondContact O-CG 3.35Å; I67-L71 PolarHBondContact O-N 2.86Å; R68-L71 PolarHBondContact O-N 3.3Å; L71-L73 HydrophobicContact CB-CD1 4.09Å; L71-L73 HydrophobicContact CB-CD2 3.93Å; L71-L73 HydrophobicContact CB-CG 3.59Å; L71-L73 HydrophobicContact CD1-CD1 3.94Å; L71-L73 HydrophobicContact CD1-CG 4.37Å; L71-L73 PolarHBondContact O-N 3.49Å; L71-Y113 HydrophobicContact CD1-CD2 3.81Å; L71-Y113 HydrophobicContact CD1-CE2 3.88Å; L71-Y113 HydrophobicContact CD1-CG 4.35Å; L71-Y113 HydrophobicContact CD2-CD2 4.47Å; L71-Y113 HydrophobicContact CD2-CE2 3.71Å; L71-Y113 HydrophobicContact CG-CE2 4.47Å
72Q94.3Very high92Very high172 Ų17267.8 Ų67.880%0.80433%0.333SS*.THydrogen-bonded Turntrans54.336.9-176.8-54.5-179.39.900113R68 R69 R70R68-Q72 PolarHBondContact O-N 3.12Å; R68-Q72 VanDerWaalsContact O-N 3.09Å; R69-Q72 PolarHBondContact O-N 3.4Å; R70-Q72 PolarHBondContact O-N 3.22Å
73L92.8Very high91.8Very high17 Ų1764 Ų649%0.08932%0.315CS..  trans-76.4141.6-177.4-56.8-179.8000111.6L44 P45 R68 L71 Q77 F79L44-L73 HydrophobicContact CD2-CD1 4.21Å; L44-L73 HydrophobicContact CD2-CD2 3.89Å; P45-L73 HydrophobicContact CG-CD2 4.24Å; R68-L73 HydrophobicContact CG-CB 4.1Å; R68-L73 PolarHBondContact O-N 3.21Å; L71-L73 HydrophobicContact CB-CD1 4.09Å; L71-L73 HydrophobicContact CB-CD2 3.93Å; L71-L73 HydrophobicContact CB-CG 3.59Å; L71-L73 HydrophobicContact CD1-CD1 3.94Å; L71-L73 HydrophobicContact CD1-CG 4.37Å; L71-L73 PolarHBondContact O-N 3.49Å; L73-Q77 HydrophobicContact CB-CB 4.22Å; L73-F79 HydrophobicContact CD1-CB 4.24Å; L73-F79 HydrophobicContact CD1-CD1 3.49Å; L73-F79 VanDerWaalsContact CD1-CD1 3.49Å; L73-F79 HydrophobicContact CD1-CE1 4.05Å; L73-F79 HydrophobicContact CD1-CG 3.97Å
74N90.3Very high91.3Very high95 Ų9565.9 Ų65.951%0.50833%0.326SS..  trans-63.4153170.3-68.2-43.1000111R68 T76 Q77R68-N74 PolarHBondContact NH1-O 3.43Å; N74-T76 PolarHBondContact O-N 2.8Å; N74-T76 VanDerWaalsContact O-N 3.1Å; N74-Q77 HydrophobicContact CB-CG 4.21Å; N74-Q77 PolarHBondContact O-N 2.7Å
75P86.4Confident90.6Very high124 Ų12469.2 Ų69.281%0.80534%0.339SS*.THydrogen-bonded Turntrans-55.4-30.3177.1-26.234.8000113.7
76T86.1Confident89.6Confident131 Ų13170.7 Ų70.780%0.80435%0.347SS*.THydrogen-bonded Turntrans-80.1-18.7179.952.80000113.9N74 A78N74-T76 PolarHBondContact O-N 2.8Å; N74-T76 VanDerWaalsContact O-N 3.1Å; T76-A78 PolarHBondContact O-N 3.17Å
77Q87.6Confident88.5Confident77 Ų7769.8 Ų69.836%0.3635%0.346SS..  trans-78.4114.1177.1-72.3176-59.600109.2R68 L73 N74R68-Q77 VanDerWaalsContact CZ-O 3.29Å; R68-Q77 PolarHBondContact NH1-O 2.9Å; R68-Q77 PolarHBondContact NH2-O 3.42Å; L73-Q77 HydrophobicContact CB-CB 4.22Å; N74-Q77 HydrophobicContact CB-CG 4.21Å; N74-Q77 PolarHBondContact O-N 2.7Å
78A87.1Confident87.5Confident40 Ų4076.1 Ų76.133%0.33138%0.377SS..  trans-83.2144.6173.100000110.4T76 Q116T76-A78 PolarHBondContact O-N 3.17Å; A78-Q116 HydrophobicContact CB-CB 4.3Å
79F91.8Very high86.7Confident15 Ų1575 Ų757%0.06638%0.378CS..EExtended strand (participates in β ladder)trans-150.2155.5168.681.5-77.3000109.5L44 V64 I67 R68 L73 A114L44-F79 HydrophobicContact CD1-CB 3.65Å; V64-F79 HydrophobicContact CG1-CE1 4.08Å; V64-F79 HydrophobicContact CG1-CZ 3.88Å; I67-F79 HydrophobicContact CB-CE2 4.33Å; I67-F79 HydrophobicContact CB-CZ 4.14Å; I67-F79 HydrophobicContact CG2-CE2 3.84Å; I67-F79 HydrophobicContact CG2-CZ 4.03Å; R68-F79 HydrophobicContact CB-CE1 3.83Å; R68-F79 HydrophobicContact CB-CZ 4.32Å; R68-F79 HydrophobicContact CG-CE1 4.33Å; L73-F79 HydrophobicContact CD1-CB 4.24Å; L73-F79 HydrophobicContact CD1-CD1 3.49Å; L73-F79 VanDerWaalsContact CD1-CD1 3.49Å; L73-F79 HydrophobicContact CD1-CE1 4.05Å; L73-F79 HydrophobicContact CD1-CG 3.97Å; F79-A114 CarbonylContact C-O 3.56Å; F79-A114 VanDerWaalsContact CA-O 3.28Å; F79-A114 WeakPolarHBondContact CA-O 3.39Å; F79-A114 WeakPolarHBondContact CB-O 3.26Å
80F89.8Confident86.1Confident67 Ų6769.6 Ų69.629%0.29437%0.367SS..EExtended strand (participates in β ladder)trans-107.3148.1175.2-62.7-69.8000110.4L82 Y113 A114 Q116 F119F80-L82 HydrophobicContact CB-CD2 4.49Å; F80-Y113 WeakPolarHBondContact O-CA 3.3Å; F80-A114 PolarHBondContact N-O 3.08Å; F80-A114 PolarHBondContact O-N 2.64Å; F80-A114 VanDerWaalsContact O-N 3.15Å; F80-Q116 HydrophobicContact CE2-CB 3.85Å; F80-Q116 HydrophobicContact CE2-CG 3.9Å; F80-Q116 HydrophobicContact CZ-CG 4.31Å; F80-F119 HydrophobicContact CD2-CB 4.11Å; F80-F119 HydrophobicContact CD2-CD1 4.34Å; F80-F119 HydrophobicContact CD2-CG 4.45Å; F80-F119 HydrophobicContact CE2-CB 4.47Å; F80-F119 HydrophobicContact CE2-CD1 4.48Å
81L91.6Very high85.6Confident16 Ų1668.6 Ų68.68%0.08437%0.374CS..EExtended strand (participates in β ladder)trans-117113.7169.2-173.564.9000107.2I35 M60 L63 V64 M111I35-L81 HydrophobicContact CG2-CD1 3.86Å; M60-L81 HydrophobicContact CE-CD2 3.87Å; M60-L81 HydrophobicContact CE-CG 4.29Å; L63-L81 HydrophobicContact CD2-CD2 3.91Å; L63-L81 HydrophobicContact CG-CD2 3.95Å; V64-L81 HydrophobicContact CG2-CB 4.22Å; V64-L81 HydrophobicContact CG2-CD2 4.29Å; L81-M111 HydrophobicContact CD1-CB 3.93Å; L81-M111 HydrophobicContact CD1-SD 4.27Å; L81-M111 HydrophobicContact CD2-SD 3.78Å; L81-M111 HydrophobicContact CG-CB 4.35Å; L81-M111 HydrophobicContact CG-SD 3.88Å
82L90.6Very high85.3Confident0 Ų072.1 Ų72.10%040%0.399CS..EExtended strand (participates in β ladder)trans-107.6129-172-59.8167.9000109.6F80 M88 M111 V112 F119F80-L82 HydrophobicContact CB-CD2 4.49Å; L82-M88 HydrophobicContact CD2-CG 3.99Å; L82-M111 CarbonylContact O-C 3.52Å; L82-M111 WeakPolarHBondContact O-CA 3.21Å; L82-M111 WeakPolarHBondContact O-CB 3.38Å; L82-V112 HydrophobicContact CB-CG2 3.87Å; L82-V112 HydrophobicContact CD1-CG2 4.18Å; L82-V112 PolarHBondContact N-O 3.08Å; L82-V112 PolarHBondContact O-N 2.93Å; L82-F119 HydrophobicContact CD1-CD2 3.66Å; L82-F119 HydrophobicContact CD1-CE2 3.49Å; L82-F119 VanDerWaalsContact CD1-CE2 3.49Å; L82-F119 HydrophobicContact CD1-CZ 4.33Å; L82-F119 HydrophobicContact CD2-CD2 4.49Å; L82-F119 HydrophobicContact CD2-CE1 4.47Å; L82-F119 HydrophobicContact CD2-CE2 3.88Å; L82-F119 HydrophobicContact CD2-CZ 3.87Å; L82-F119 HydrophobicContact CG-CE2 4.34Å
83V90.6Very high85.2Confident0 Ų065 Ų650%037%0.367CS..EExtended strand (participates in β ladder)trans-84.9132.7174.9-171.50000108.9Q85 H86 S87 V89 I98 E102 L109 M111V83-Q85 PolarHBondContact O-N 3.38Å; V83-H86 PolarHBondContact O-N 2.92Å; V83-S87 PolarHBondContact N-O 3.49Å; V83-S87 VanDerWaalsContact N-O 3.12Å; V83-S87 PolarHBondContact O-N 3.35Å; V83-V89 HydrophobicContact CB-CG2 4.31Å; V83-V89 HydrophobicContact CG2-CG2 3.69Å; V83-I98 HydrophobicContact CG1-CG2 3.92Å; V83-I98 HydrophobicContact CG2-CG2 4.03Å; V83-E102 HydrophobicContact CG1-CB 3.64Å; V83-E102 HydrophobicContact CG1-CG 4.03Å; V83-L109 HydrophobicContact CG1-CD1 3.74Å; V83-M111 HydrophobicContact CG2-CE 3.88Å; V83-M111 HydrophobicContact CG2-CG 4.31Å; V83-M111 HydrophobicContact CG2-SD 4.36Å
84N84.6Confident85.3Confident43 Ų4366.4 Ų66.423%0.2338%0.378CS..THydrogen-bonded Turntrans49.729.8-177-69.9-29.4000114.5H86 E102 Y110N84-H86 PolarHBondContact O-N 3.03Å; N84-H86 PolarHBondContact O-ND1 3.24Å; N84-E102 PolarHBondContact ND2-O 3.15Å; N84-E102 PolarHBondContact ND2-OE2 3.36Å; N84-Y110 PolarHBondContact N-O 3.09Å
85Q78.3Confident85.5Confident108 Ų10861.9 Ų61.951%0.50535%0.353SS..THydrogen-bonded Turntrans66.33.9-178.6-50173.695.800116V83 V112V83-Q85 PolarHBondContact O-N 3.38Å; Q85-V112 HydrophobicContact CB-CG2 4.24Å; Q85-V112 HydrophobicContact CG-CG1 4Å; Q85-V112 HydrophobicContact CG-CG2 3.98Å
86H71.8Confident86Confident153 Ų15357.7 Ų57.771%0.70833%0.327SS*.THydrogen-bonded Turntrans-134.8-38.6-174.2-57.9122000114.2V83 N84 M88V83-H86 PolarHBondContact O-N 2.92Å; N84-H86 PolarHBondContact O-N 3.03Å; N84-H86 PolarHBondContact O-ND1 3.24Å; H86-M88 PolarHBondContact O-N 3.36Å
87S72.3Confident86.4Confident39 Ų3955.6 Ų55.627%0.27331%0.308SS..BIsolated β-bridgetrans-88.6117.2-168.3-620000111.5V83V83-S87 PolarHBondContact N-O 3.49Å; V83-S87 VanDerWaalsContact N-O 3.12Å; V83-S87 PolarHBondContact O-N 3.35Å
88M73.1Confident86.7Confident133 Ų13352.1 Ų52.166%0.65529%0.292SS*.  trans-79.3114.8160-72.6-170.5-73.400108L82 H86 F119L82-M88 HydrophobicContact CD2-CG 3.99Å; H86-M88 PolarHBondContact O-N 3.36Å; M88-F119 HydrophobicContact CE-CE1 4.46Å; M88-F119 HydrophobicContact SD-CE1 4.35Å
89V77.8Confident87.1Confident42 Ų4250.7 Ų50.726%0.25528%0.278SS..  trans-96.9149.1177.7-172.40000109.9V83 V91 T93 I98V83-V89 HydrophobicContact CB-CG2 4.31Å; V83-V89 HydrophobicContact CG2-CG2 3.69Å; V89-V91 PolarHBondContact O-N 2.67Å; V89-T93 HydrophobicContact CG1-CG2 4.03Å; V89-I98 HydrophobicContact CB-CD1 4Å; V89-I98 HydrophobicContact CG1-CD1 3.56Å; V89-I98 HydrophobicContact CG1-CG1 3.84Å; V89-I98 HydrophobicContact CG2-CD1 4.17Å; V89-I98 HydrophobicContact CG2-CG1 4.46Å; V89-I98 HydrophobicContact CG2-CG2 4.5Å
90S82.2Confident87.3Confident66 Ų6657.2 Ų57.246%0.46231%0.308SS..  trans-54.9135.5171.6178.90000110.7S92 T93S90-S92 PolarHBondContact O-N 2.69Å; S90-S92 VanDerWaalsContact O-N 3.15Å; S90-S92 PolarHBondContact OG-N 3.48Å; S90-S92 PolarHBondContact OG-OG 2.87Å; S90-T93 WeakPolarHBondContact CB-OG1 3.43Å; S90-T93 WeakPolarHBondContact O-CB 3.37Å; S90-T93 PolarHBondContact O-N 3.06Å; S90-T93 VanDerWaalsContact O-N 3.09Å; S90-T93 PolarHBondContact O-OG1 3.15Å
91V84.1Confident87.4Confident93 Ų9360.4 Ų60.456%0.56432%0.324SS*.THydrogen-bonded Turntrans-64.2-20.5-178.8-630000112.9M60 S61 V89M60-V91 PolarHBondContact N-O 3.31Å; S61-V91 WeakPolarHBondContact CB-O 3.28Å; S61-V91 PolarHBondContact N-O 3.46Å; V89-V91 PolarHBondContact O-N 2.67Å
92S89.3Confident87.5Confident83 Ų8362.2 Ų62.258%0.5833%0.332SS*.THydrogen-bonded Turntrans-84.7-14.3177.761.10000113.7S90S90-S92 PolarHBondContact O-N 2.69Å; S90-S92 VanDerWaalsContact O-N 3.15Å; S90-S92 PolarHBondContact OG-N 3.48Å; S90-S92 PolarHBondContact OG-OG 2.87Å
93T92Very high87.8Confident23 Ų2368.9 Ų68.914%0.14136%0.357CS..SBendtrans-67.8128.3-176-57.50000110.3N59 M60 V89 S90 E97 I98N59-T93 WeakPolarHBondContact CA-O 3.5Å; M60-T93 PolarHBondContact N-O 3.39Å; M60-T93 VanDerWaalsContact N-O 3.08Å; V89-T93 HydrophobicContact CG1-CG2 4.03Å; S90-T93 WeakPolarHBondContact CB-OG1 3.43Å; S90-T93 WeakPolarHBondContact O-CB 3.37Å; S90-T93 PolarHBondContact O-N 3.06Å; S90-T93 VanDerWaalsContact O-N 3.09Å; S90-T93 PolarHBondContact O-OG1 3.15Å; T93-E97 HydrophobicContact CG2-CB 4.03Å; T93-E97 HydrophobicContact CG2-CG 4.21Å; T93-E97 WeakPolarHBondContact CG2-OE2 3.5Å; T93-I98 HydrophobicContact CG2-CD1 4.16Å; T93-I98 HydrophobicContact CG2-CG1 3.69Å
94P94.6Very high88.1Confident47 Ų4770.7 Ų70.731%0.30537%0.367SS..BIsolated β-bridgetrans-60.1144171.7-22.634.3000111.6S96 E97 I98P94-S96 PolarHBondContact O-N 3.34Å; P94-E97 PolarHBondContact O-N 3.39Å; P94-I98 PolarHBondContact O-N 2.8Å
95I94.6Very high88.7Confident0 Ų077 Ų770%040%0.395CS..Hα-helixtrans-63.6-26.5179.6-163.965.4000112.4I31 V54 P55 D56 V58 M60 L63 I98 Y99 L109 M111I31-I95 HydrophobicContact CG1-CG2 4.02Å; I31-I95 HydrophobicContact CG2-CG1 4.46Å; V54-I95 HydrophobicContact CG1-CG1 4.44Å; V54-I95 HydrophobicContact CG1-CG2 4.06Å; P55-I95 VanDerWaalsContact O-CG2 3.26Å; P55-I95 WeakPolarHBondContact O-CG2 3.35Å; D56-I95 WeakPolarHBondContact O-CG2 3.48Å; V58-I95 VanDerWaalsContact O-CB 3.3Å; V58-I95 WeakPolarHBondContact O-CB 3.3Å; V58-I95 VanDerWaalsContact O-CG2 3.29Å; V58-I95 WeakPolarHBondContact O-CG2 3.29Å; V58-I95 PolarHBondContact O-N 3.37Å; M60-I95 HydrophobicContact SD-CD1 3.88Å; L63-I95 HydrophobicContact CD2-CD1 3.87Å; I95-I98 HydrophobicContact CD1-CD1 4.38Å; I95-I98 PolarHBondContact O-N 3.32Å; I95-Y99 VanDerWaalsContact O-CB 3.31Å; I95-Y99 WeakPolarHBondContact O-CB 3.34Å; I95-Y99 PolarHBondContact O-N 3.05Å; I95-L109 HydrophobicContact CD1-CD2 3.75Å; I95-L109 HydrophobicContact CG1-CD2 4.24Å; I95-M111 HydrophobicContact CD1-CE 3.44Å; I95-M111 VanDerWaalsContact CD1-CE 3.44Å
96S95.9Very high89.6Confident36 Ų3672 Ų7225%0.25237%0.372SS..Hα-helixtrans-61.6-45.2174.852.60000112.6D56 P94 I98 Y99 E100D56-S96 PolarHBondContact O-N 3.36Å; D56-S96 PolarHBondContact O-OG 2.8Å; P94-S96 PolarHBondContact O-N 3.34Å; S96-I98 VanDerWaalsContact C-N 3.34Å; S96-I98 PolarHBondContact O-N 3.34Å; S96-Y99 WeakPolarHBondContact O-CB 3.43Å; S96-Y99 PolarHBondContact O-N 3.42Å; S96-E100 WeakPolarHBondContact O-CG 3.27Å; S96-E100 PolarHBondContact O-N 3.08Å
97E95.1Very high90.8Very high87 Ų8765.2 Ų65.241%0.40734%0.343SS..Hα-helixtrans-64.8-41.7179.3-175.1-179.6173.700110.9T93 P94 Y99 E100 Q101T93-E97 HydrophobicContact CG2-CB 4.03Å; T93-E97 HydrophobicContact CG2-CG 4.21Å; T93-E97 WeakPolarHBondContact CG2-OE2 3.5Å; P94-E97 PolarHBondContact O-N 3.39Å; E97-Y99 VanDerWaalsContact C-N 3.32Å; E97-Y99 PolarHBondContact O-N 3.49Å; E97-E100 PolarHBondContact O-N 3.2Å; E97-Q101 WeakPolarHBondContact O-CG 3.49Å; E97-Q101 PolarHBondContact O-N 3.42Å
98I94.1Very high92Very high3 Ų363.3 Ų63.32%0.01533%0.33CS..Hα-helixtrans-62.2-43.9174.8-58.2176.4000110.2M60 V83 V89 T93 P94 I95 S96 E100 Q101 E102 L109M60-I98 HydrophobicContact CG-CD1 3.15Å; M60-I98 HydrophobicContact SD-CD1 3.4Å; M60-I98 WeakPolarHBondContact SD-CD1 3.31Å; V83-I98 HydrophobicContact CG1-CG2 3.92Å; V83-I98 HydrophobicContact CG2-CG2 4.03Å; V89-I98 HydrophobicContact CB-CD1 4Å; V89-I98 HydrophobicContact CG1-CD1 3.56Å; V89-I98 HydrophobicContact CG1-CG1 3.84Å; V89-I98 HydrophobicContact CG2-CD1 4.17Å; V89-I98 HydrophobicContact CG2-CG1 4.46Å; V89-I98 HydrophobicContact CG2-CG2 4.5Å; T93-I98 HydrophobicContact CG2-CD1 4.16Å; T93-I98 HydrophobicContact CG2-CG1 3.69Å; P94-I98 PolarHBondContact O-N 2.8Å; I95-I98 HydrophobicContact CD1-CD1 4.38Å; I95-I98 PolarHBondContact O-N 3.32Å; S96-I98 VanDerWaalsContact C-N 3.34Å; S96-I98 PolarHBondContact O-N 3.34Å; I98-E100 VanDerWaalsContact C-N 3.3Å; I98-E100 PolarHBondContact O-N 3.29Å; I98-Q101 PolarHBondContact O-N 3.3Å; I98-E102 HydrophobicContact CG2-CB 4.2Å; I98-E102 HydrophobicContact CG2-CG 4.36Å; I98-E102 WeakPolarHBondContact O-CA 3.4Å; I98-E102 VanDerWaalsContact O-CB 3.28Å; I98-E102 WeakPolarHBondContact O-CB 3.44Å; I98-E102 PolarHBondContact O-N 3.09Å; I98-L109 HydrophobicContact CG2-CD1 4.19Å; I98-L109 HydrophobicContact CG2-CD2 3.99Å
99Y95.7Very high93.1Very high11 Ų1157 Ų574%0.04330%0.299CS..Hα-helixtrans-61.1-38.9179.5179.8-101.5000112.6I31 P32 I95 S96 E97 Q101 R103 G107 L109I31-Y99 HydrophobicContact CD1-CD1 4.01Å; I31-Y99 HydrophobicContact CD1-CE1 4.48Å; I31-Y99 HydrophobicContact CD1-CG 4.07Å; I31-Y99 HydrophobicContact CG2-CD2 3.32Å; I31-Y99 HydrophobicContact CG2-CE2 3.95Å; I31-Y99 HydrophobicContact CG2-CG 3.66Å; P32-Y99 HydrophobicContact CG-CE2 4.33Å; I95-Y99 VanDerWaalsContact O-CB 3.31Å; I95-Y99 WeakPolarHBondContact O-CB 3.34Å; I95-Y99 PolarHBondContact O-N 3.05Å; S96-Y99 WeakPolarHBondContact O-CB 3.43Å; S96-Y99 PolarHBondContact O-N 3.42Å; E97-Y99 VanDerWaalsContact C-N 3.32Å; E97-Y99 PolarHBondContact O-N 3.49Å; Y99-Q101 VanDerWaalsContact C-N 3.29Å; Y99-Q101 PolarHBondContact O-N 3.39Å; Y99-R103 HydrophobicContact CD2-CB 3.83Å; Y99-R103 HydrophobicContact CE2-CB 3.75Å; Y99-R103 HydrophobicContact CG-CB 4.38Å; Y99-R103 WeakPolarHBondContact O-CB 3.41Å; Y99-R103 WeakPolarHBondContact O-CD 3.43Å; Y99-R103 WeakPolarHBondContact O-CG 3.35Å; Y99-R103 PolarHBondContact O-N 3.09Å; Y99-R103 VanDerWaalsContact O-N 3.16Å; Y99-G107 VanDerWaalsContact CE2-O 3.28Å; Y99-G107 WeakPolarHBondContact CE2-O 3.46Å; Y99-G107 PolarHBondContact OH-O 3.37Å; Y99-L109 HydrophobicContact CD2-CB 4.02Å
100E94.8Very high94Very high151 Ų15156.1 Ų56.171%0.70629%0.291SS*.Hα-helixtrans-64.4-35.2177.8-73.5174.4-175.200112.6S96 E97 I98S96-E100 WeakPolarHBondContact O-CG 3.27Å; S96-E100 PolarHBondContact O-N 3.08Å; E97-E100 PolarHBondContact O-N 3.2Å; I98-E100 VanDerWaalsContact C-N 3.3Å; I98-E100 PolarHBondContact O-N 3.29Å
101Q92.7Very high94.6Very high134 Ų13453.1 Ų53.163%0.62627%0.27SS*.Hα-helixtrans-90-35.1-175.8-63.7174.12000113.3E97 I98 Y99E97-Q101 WeakPolarHBondContact O-CG 3.49Å; E97-Q101 PolarHBondContact O-N 3.42Å; I98-Q101 PolarHBondContact O-N 3.3Å; Y99-Q101 VanDerWaalsContact C-N 3.29Å; Y99-Q101 PolarHBondContact O-N 3.39Å
102E94.4Very high95.1Very high54 Ų5449.4 Ų49.425%0.25225%0.247SC..Hα-helixtrans-124.12.8-162.5-64.5-74.3171.800113.8V83 N84 I98 L109V83-E102 HydrophobicContact CG1-CB 3.64Å; V83-E102 HydrophobicContact CG1-CG 4.03Å; N84-E102 PolarHBondContact ND2-O 3.15Å; N84-E102 PolarHBondContact ND2-OE2 3.36Å; I98-E102 HydrophobicContact CG2-CB 4.2Å; I98-E102 HydrophobicContact CG2-CG 4.36Å; I98-E102 WeakPolarHBondContact O-CA 3.4Å; I98-E102 VanDerWaalsContact O-CB 3.28Å; I98-E102 WeakPolarHBondContact O-CB 3.44Å; I98-E102 PolarHBondContact O-N 3.09Å; E102-L109 HydrophobicContact CB-CD1 3.96Å
103R95.3Very high95.3Very high140 Ų14045.5 Ų45.553%0.52822%0.22SC..  trans-60.8146.3172.867.9-174.8-177.8165.5-0.6110.9Y99Y99-R103 HydrophobicContact CD2-CB 3.83Å; Y99-R103 HydrophobicContact CE2-CB 3.75Å; Y99-R103 HydrophobicContact CG-CB 4.38Å; Y99-R103 WeakPolarHBondContact O-CB 3.41Å; Y99-R103 WeakPolarHBondContact O-CD 3.43Å; Y99-R103 WeakPolarHBondContact O-CG 3.35Å; Y99-R103 PolarHBondContact O-N 3.09Å; Y99-R103 VanDerWaalsContact O-N 3.16Å
104D96.7Very high95.3Very high39 Ų3944.5 Ų44.521%0.20921%0.214CC..  trans-73.8165.3173.4-165.2-117.2000111K8 R16 D106 G107 F108 Y110K8-D104 WeakPolarHBondContact CE-OD1 3.26Å; K8-D104 IonicContact NZ-OD1 2.75Å; K8-D104 PolarHBondContact NZ-OD1 3.27Å; K8-D104 IonicContact NZ-OD2 2.59Å; K8-D104 PolarHBondContact NZ-OD2 3.19Å; R16-D104 IonicContact NH1-OD1 3.72Å; D104-D106 WeakPolarHBondContact CB-OD1 3.43Å; D104-D106 PolarHBondContact O-N 3.26Å; D104-D106 VanDerWaalsContact O-N 3.11Å; D104-G107 WeakPolarHBondContact O-CA 3.36Å; D104-G107 PolarHBondContact O-N 3.18Å; D104-F108 WeakPolarHBondContact CB-O 3.46Å; D104-F108 PolarHBondContact N-O 3.22Å; D104-Y110 HydrophobicContact CB-CD2 3.59Å; D104-Y110 HydrophobicContact CB-CE2 3.55Å
105E96.9Very high95.1Very high175 Ų17542.3 Ų42.382%0.81820%0.199SC*.THydrogen-bonded Turntrans-59.7-23.2178.8-63.4-178.3169.400113.5F13 G107F13-E105 HydrophobicContact CE2-CB 4.07Å; F13-E105 HydrophobicContact CZ-CB 4.26Å; E105-G107 VanDerWaalsContact C-N 3.26Å; E105-G107 PolarHBondContact O-N 2.71Å
106D97.4Very high94.5Very high4 Ų447.6 Ų47.62%0.02122%0.224CC..THydrogen-bonded Turntrans-78.1-10.1174.675-8000114F13 R16 V20 D104 F108 Y110F13-D106 HydrophobicContact CD2-CB 4.11Å; F13-D106 HydrophobicContact CE2-CB 3.88Å; R16-D106 HydrophobicContact CB-CB 3.91Å; R16-D106 WeakPolarHBondContact CB-OD2 3.27Å; R16-D106 VanDerWaalsContact CD-OD2 3.31Å; R16-D106 WeakPolarHBondContact CD-OD2 3.4Å; R16-D106 IonicContact CZ-OD2 3.53Å; R16-D106 IonicContact NE-OD2 3.77Å; R16-D106 VanDerWaalsContact NH1-CB 3.31Å; R16-D106 IonicContact NH1-OD2 2.61Å; R16-D106 PolarHBondContact NH1-OD2 3.45Å; V20-D106 WeakPolarHBondContact CG2-O 3.4Å; D104-D106 WeakPolarHBondContact CB-OD1 3.43Å; D104-D106 PolarHBondContact O-N 3.26Å; D104-D106 VanDerWaalsContact O-N 3.11Å; D106-F108 WeakPolarHBondContact OD1-CB 3.39Å; D106-F108 PolarHBondContact OD1-N 2.87Å; D106-Y110 WeakPolarHBondContact OD1-CE2 3.28Å; D106-Y110 PolarHBondContact OD2-OH 3.23Å
107G97Very high93.6Very high9 Ų951.4 Ų51.49%0.09324%0.238CC..SBendtrans86.95.4-178.500000116V20 Y99 D104 E105V20-G107 WeakPolarHBondContact CG1-O 3.23Å; Y99-G107 VanDerWaalsContact CE2-O 3.28Å; Y99-G107 WeakPolarHBondContact CE2-O 3.46Å; Y99-G107 PolarHBondContact OH-O 3.37Å; D104-G107 WeakPolarHBondContact O-CA 3.36Å; D104-G107 PolarHBondContact O-N 3.18Å; E105-G107 VanDerWaalsContact C-N 3.26Å; E105-G107 PolarHBondContact O-N 2.71Å
108F98.1Very high92.6Very high0 Ų049.3 Ų49.30%023%0.231CC..PPolyproline II helixtrans-87.3150.9166.6-80.5-81.4000110.6F7 R16 E19 V20 I23 P32 I34 K51 D104 D106 Y110F7-F108 AromaticContact CE1-CD2 3.98Å; F7-F108 HydrophobicContact CE1-CD2 3.98Å; F7-F108 AromaticContact CE1-CE2 3.76Å; F7-F108 HydrophobicContact CE1-CE2 3.76Å; F7-F108 HydrophobicContact CE1-CZ 4.17Å; F7-F108 HydrophobicContact CZ-CE2 4.05Å; F7-F108 HydrophobicContact CZ-CZ 4.14Å; R16-F108 HydrophobicContact CB-CD2 4.32Å; R16-F108 HydrophobicContact CB-CE2 4.21Å; E19-F108 HydrophobicContact CG-CZ 4.19Å; V20-F108 HydrophobicContact CG2-CD1 4.21Å; V20-F108 HydrophobicContact CG2-CD2 3.25Å; V20-F108 HydrophobicContact CG2-CE1 4.24Å; V20-F108 HydrophobicContact CG2-CE2 3.3Å; V20-F108 HydrophobicContact CG2-CG 3.73Å; V20-F108 HydrophobicContact CG2-CZ 3.81Å; I23-F108 HydrophobicContact CD1-CE1 4.34Å; I23-F108 HydrophobicContact CD1-CZ 4.24Å; P32-F108 HydrophobicContact CB-CD1 3.62Å; P32-F108 HydrophobicContact CB-CE1 3.64Å; P32-F108 HydrophobicContact CG-CD1 4.34Å; I34-F108 HydrophobicContact CD1-CD1 3.83Å; I34-F108 HydrophobicContact CD1-CE1 3.88Å; I34-F108 HydrophobicContact CD1-CG 4.46Å; I34-F108 HydrophobicContact CG1-CB 4.13Å; I34-F108 HydrophobicContact CG1-CD1 3.64Å; I34-F108 HydrophobicContact CG1-CE1 4.22Å; I34-F108 HydrophobicContact CG1-CG 3.94Å; K51-F108 HydrophobicContact CD-CE1 4.19Å; K51-F108 HydrophobicContact CD-CZ 4.39Å; K51-F108 HydrophobicContact CG-CE1 4.39Å; D104-F108 WeakPolarHBondContact CB-O 3.46Å; D104-F108 PolarHBondContact N-O 3.22Å; D106-F108 WeakPolarHBondContact OD1-CB 3.39Å; D106-F108 PolarHBondContact OD1-N 2.87Å; F108-Y110 HydrophobicContact CB-CD2 4.15Å; F108-Y110 HydrophobicContact CB-CE2 3.51Å
109L96.6Very high91.3Very high0 Ų053.1 Ų53.10%025%0.248CC..EExtended strand (participates in β ladder)trans-92.1124.7163.9-174.957.9000109.8P32 V33 I34 V83 I95 I98 Y99 E102 M111P32-L109 PolarHBondContact O-N 3.16Å; V33-L109 CarbonylContact C-O 3.54Å; V33-L109 WeakPolarHBondContact CA-O 3.42Å; V33-L109 HydrophobicContact CG1-CB 4.32Å; V33-L109 HydrophobicContact CG1-CG 4.44Å; V33-L109 WeakPolarHBondContact CG1-O 3.48Å; V33-L109 HydrophobicContact CG2-CB 4.29Å; V33-L109 HydrophobicContact CG2-CD2 4.33Å; I34-L109 PolarHBondContact N-O 3.3Å; V83-L109 HydrophobicContact CG1-CD1 3.74Å; I95-L109 HydrophobicContact CD1-CD2 3.75Å; I95-L109 HydrophobicContact CG1-CD2 4.24Å; I98-L109 HydrophobicContact CG2-CD1 4.19Å; I98-L109 HydrophobicContact CG2-CD2 3.99Å; Y99-L109 HydrophobicContact CD2-CB 4.02Å; E102-L109 HydrophobicContact CB-CD1 3.96Å; L109-M111 HydrophobicContact CD2-CE 3.38Å; L109-M111 HydrophobicContact CG-CE 3.83Å
110Y96.1Very high89.5Confident24 Ų2455.7 Ų55.79%0.09428%0.277CS..EExtended strand (participates in β ladder)trans-102.3129.9-179.1-71-94.4000110.9F7 K8 R16 I34 N84 D104 D106 F108F7-Y110 HydrophobicContact CD1-CE1 4.02Å; F7-Y110 WeakPolarHBondContact CD1-OH 3.38Å; K8-Y110 HydrophobicContact CD-CE1 4.26Å; K8-Y110 VanDerWaalsContact CE-CE2 3.41Å; K8-Y110 HydrophobicContact CG-CE1 3.71Å; R16-Y110 WeakPolarHBondContact CD-OH 3.44Å; I34-Y110 HydrophobicContact CB-CD1 3.78Å; I34-Y110 HydrophobicContact CB-CE1 3.87Å; I34-Y110 HydrophobicContact CB-CG 4.47Å; I34-Y110 HydrophobicContact CG1-CD1 4.31Å; I34-Y110 HydrophobicContact CG1-CE1 3.91Å; I34-Y110 HydrophobicContact CG2-CD1 3.93Å; I34-Y110 HydrophobicContact CG2-CE1 3.97Å; N84-Y110 PolarHBondContact N-O 3.09Å; D104-Y110 HydrophobicContact CB-CD2 3.59Å; D104-Y110 HydrophobicContact CB-CE2 3.55Å; D106-Y110 WeakPolarHBondContact OD1-CE2 3.28Å; D106-Y110 PolarHBondContact OD2-OH 3.23Å; F108-Y110 HydrophobicContact CB-CD2 4.15Å; F108-Y110 HydrophobicContact CB-CE2 3.51Å
111M95.6Very high87Confident3 Ų357.4 Ų57.42%0.01530%0.304CS..EExtended strand (participates in β ladder)trans-133.8153.5174.3-54.4-174.2179.100110.9V33 I34 I35 E36 M60 L63 L81 L82 V83 I95 L109V33-M111 HydrophobicContact CG1-CE 4.21Å; V33-M111 HydrophobicContact CG1-CG 4.1Å; V33-M111 HydrophobicContact CG1-SD 4.09Å; I34-M111 PolarHBondContact O-N 3.27Å; I35-M111 WeakPolarHBondContact CA-O 3.2Å; I35-M111 HydrophobicContact CG1-CB 4.26Å; E36-M111 PolarHBondContact N-O 3.44Å; M60-M111 HydrophobicContact CE-CE 4.35Å; M60-M111 HydrophobicContact CE-SD 4.33Å; M60-M111 HydrophobicContact SD-CE 4.04Å; L63-M111 HydrophobicContact CD2-CE 4.13Å; L63-M111 HydrophobicContact CD2-SD 3.92Å; L81-M111 HydrophobicContact CD1-CB 3.93Å; L81-M111 HydrophobicContact CD1-SD 4.27Å; L81-M111 HydrophobicContact CD2-SD 3.78Å; L81-M111 HydrophobicContact CG-CB 4.35Å; L81-M111 HydrophobicContact CG-SD 3.88Å; L82-M111 CarbonylContact O-C 3.52Å; L82-M111 WeakPolarHBondContact O-CA 3.21Å; L82-M111 WeakPolarHBondContact O-CB 3.38Å; V83-M111 HydrophobicContact CG2-CE 3.88Å; V83-M111 HydrophobicContact CG2-CG 4.31Å; V83-M111 HydrophobicContact CG2-SD 4.36Å; I95-M111 HydrophobicContact CD1-CE 3.44Å; I95-M111 VanDerWaalsContact CD1-CE 3.44Å; L109-M111 HydrophobicContact CD2-CE 3.38Å; L109-M111 HydrophobicContact CG-CE 3.83Å
112V94.3Very high86.8Confident15 Ų1553.6 Ų53.69%0.09129%0.288CS..EExtended strand (participates in β ladder)trans-127.6148.2172.2-64.70000110.6E36 Y38 L82 Q85E36-V112 CarbonylContact O-C 3.55Å; E36-V112 WeakPolarHBondContact O-CA 3.4Å; Y38-V112 HydrophobicContact CD2-CB 4.44Å; Y38-V112 HydrophobicContact CD2-CG2 3.95Å; L82-V112 HydrophobicContact CB-CG2 3.87Å; L82-V112 HydrophobicContact CD1-CG2 4.18Å; L82-V112 PolarHBondContact N-O 3.08Å; L82-V112 PolarHBondContact O-N 2.93Å; Q85-V112 HydrophobicContact CB-CG2 4.24Å; Q85-V112 HydrophobicContact CG-CG1 4Å; Q85-V112 HydrophobicContact CG-CG2 3.98Å
113Y93.4Very high86.4Confident1 Ų153.6 Ų53.60%0.00429%0.29CS..EExtended strand (participates in β ladder)trans-112.7142.9172.469.4-87.5000112.1I35 E36 R37 Y38 L44 P45 V46 L47 L71 F80I35-Y113 HydrophobicContact CG2-CD1 4.03Å; E36-Y113 WeakPolarHBondContact O-CD1 3.44Å; E36-Y113 PolarHBondContact O-N 3.17Å; R37-Y113 VanDerWaalsContact CA-CE1 3.49Å; R37-Y113 HydrophobicContact CB-CE1 3.86Å; R37-Y113 HydrophobicContact CB-CE2 4.11Å; R37-Y113 HydrophobicContact CG-CD2 4.38Å; R37-Y113 HydrophobicContact CG-CE1 4.37Å; R37-Y113 HydrophobicContact CG-CE2 3.7Å; Y38-Y113 WeakPolarHBondContact CB-O 3.31Å; Y38-Y113 PolarHBondContact N-O 3.06Å; L44-Y113 HydrophobicContact CB-CD2 4.33Å; L44-Y113 HydrophobicContact CB-CE2 3.98Å; L44-Y113 HydrophobicContact CD1-CD2 3.82Å; L44-Y113 HydrophobicContact CD1-CE2 4.32Å; P45-Y113 WeakPolarHBondContact O-CE2 3.47Å; P45-Y113 PolarHBondContact O-OH 2.98Å; V46-Y113 WeakPolarHBondContact CA-OH 3.49Å; L47-Y113 HydrophobicContact CD1-CD1 4.15Å; L47-Y113 HydrophobicContact CD1-CE1 3.66Å; L47-Y113 HydrophobicContact CG-CE1 3.87Å; L47-Y113 PolarHBondContact N-OH 3.37Å; L47-Y113 VanDerWaalsContact N-OH 3.17Å; L71-Y113 HydrophobicContact CD1-CD2 3.81Å; L71-Y113 HydrophobicContact CD1-CE2 3.88Å; L71-Y113 HydrophobicContact CD1-CG 4.35Å; L71-Y113 HydrophobicContact CD2-CD2 4.47Å; L71-Y113 HydrophobicContact CD2-CE2 3.71Å; L71-Y113 HydrophobicContact CG-CE2 4.47Å; F80-Y113 WeakPolarHBondContact O-CA 3.3Å
114A92.3Very high85.9Confident1 Ų148.8 Ų48.81%0.00828%0.277CS..EExtended strand (participates in β ladder)trans-147.2153.6-179.700000110.5Y38 F79 F80 T118Y38-A114 HydrophobicContact CG-CB 4.37Å; F79-A114 CarbonylContact C-O 3.56Å; F79-A114 VanDerWaalsContact CA-O 3.28Å; F79-A114 WeakPolarHBondContact CA-O 3.39Å; F79-A114 WeakPolarHBondContact CB-O 3.26Å; F80-A114 PolarHBondContact N-O 3.08Å; F80-A114 PolarHBondContact O-N 2.64Å; F80-A114 VanDerWaalsContact O-N 3.15Å; A114-T118 HydrophobicContact CB-CG2 4.26Å
115S90.5Very high85.2Confident1 Ų149.4 Ų49.41%0.00728%0.281CS..EExtended strand (participates in β ladder)trans-71.9165171.187.50000110.3E41 E117 T118 F119E41-S115 WeakPolarHBondContact OE2-CB 3.46Å; E41-S115 PolarHBondContact OE2-N 2.79Å; E41-S115 PolarHBondContact OE2-OG 2.79Å; S115-E117 VanDerWaalsContact C-N 3.31Å; S115-E117 WeakPolarHBondContact CB-OE2 3.4Å; S115-E117 PolarHBondContact OG-N 2.84Å; S115-E117 PolarHBondContact OG-OE2 3.48Å; S115-T118 PolarHBondContact O-N 2.8Å; S115-T118 PolarHBondContact OG-N 3.02Å; S115-T118 PolarHBondContact OG-OG1 3.33Å; S115-F119 PolarHBondContact O-N 2.9Å
116Q81.8Confident84.5Confident111 Ų11141.5 Ų41.552%0.51925%0.247SC..Hα-helixtrans-66.1-36.7177.2-179.3175.1-3.100112.1A78 F80 T118 F119 G120A78-Q116 HydrophobicContact CB-CB 4.3Å; F80-Q116 HydrophobicContact CE2-CB 3.85Å; F80-Q116 HydrophobicContact CE2-CG 3.9Å; F80-Q116 HydrophobicContact CZ-CG 4.31Å; Q116-T118 VanDerWaalsContact C-N 3.26Å; Q116-T118 PolarHBondContact O-N 3.02Å; Q116-F119 PolarHBondContact O-N 3.1Å; Q116-G120 PolarHBondContact O-N 2.94Å
117E76.4Confident83.6Confident116 Ų11644 Ų4454%0.54226%0.262SS..Hα-helixtrans-63.9-32.9177.1-55.986.6173.900112.1Q43 S115Q43-E117 PolarHBondContact OE1-OE2 2.96Å; Q43-E117 VanDerWaalsContact OE1-OE2 3.09Å; S115-E117 VanDerWaalsContact C-N 3.31Å; S115-E117 WeakPolarHBondContact CB-OE2 3.4Å; S115-E117 PolarHBondContact OG-N 2.84Å; S115-E117 PolarHBondContact OG-OE2 3.48Å
118T74.8Confident82.7Confident43 Ų4346.5 Ų46.526%0.26427%0.274SS..Hα-helixtrans-75.6-29.5179.6-590000112.9Y38 E41 A114 S115 Q116Y38-T118 HydrophobicContact CD1-CG2 3.9Å; Y38-T118 HydrophobicContact CE1-CG2 4.31Å; E41-T118 HydrophobicContact CB-CG2 4.29Å; E41-T118 VanDerWaalsContact OE2-CB 3.26Å; E41-T118 WeakPolarHBondContact OE2-CB 3.28Å; E41-T118 PolarHBondContact OE2-OG1 3.39Å; A114-T118 HydrophobicContact CB-CG2 4.26Å; S115-T118 PolarHBondContact O-N 2.8Å; S115-T118 PolarHBondContact OG-N 3.02Å; S115-T118 PolarHBondContact OG-OG1 3.33Å; Q116-T118 VanDerWaalsContact C-N 3.26Å; Q116-T118 PolarHBondContact O-N 3.02Å
119F65.6Low81.5Confident84 Ų8450.1 Ų50.137%0.36830%0.296SS..Hα-helixtrans-98.3-14.7-176.2-166.7-103.5000113.7F80 L82 M88 S115 Q116F80-F119 HydrophobicContact CD2-CB 4.11Å; F80-F119 HydrophobicContact CD2-CD1 4.34Å; F80-F119 HydrophobicContact CD2-CG 4.45Å; F80-F119 HydrophobicContact CE2-CB 4.47Å; F80-F119 HydrophobicContact CE2-CD1 4.48Å; L82-F119 HydrophobicContact CD1-CD2 3.66Å; L82-F119 HydrophobicContact CD1-CE2 3.49Å; L82-F119 VanDerWaalsContact CD1-CE2 3.49Å; L82-F119 HydrophobicContact CD1-CZ 4.33Å; L82-F119 HydrophobicContact CD2-CD2 4.49Å; L82-F119 HydrophobicContact CD2-CE1 4.47Å; L82-F119 HydrophobicContact CD2-CE2 3.88Å; L82-F119 HydrophobicContact CD2-CZ 3.87Å; L82-F119 HydrophobicContact CG-CE2 4.34Å; M88-F119 HydrophobicContact CE-CE1 4.46Å; M88-F119 HydrophobicContact SD-CE1 4.35Å; S115-F119 PolarHBondContact O-N 2.9Å; Q116-F119 PolarHBondContact O-N 3.1Å
120G59Low80.2Confident64 Ų6454.3 Ų54.366%0.6632%0.32SS*.  trans-100.723.9-171.700000116.8Q116Q116-G120 PolarHBondContact O-N 2.94Å
121C43.2Very low78.8Confident188 Ų18857 Ų57100%1.2734%0.341SS*.  trans-114.20174.9-68.50000111.6

Retrieved 121 of 121 residues in 39.8 ms (Link to these results)

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