G4V805_SCHMA Loading...

Putative hsp40, subfamily A, members 1,2,4

AlphaFold DB , UniProt , Accession G4V805, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 401 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
1M62.5Low85.2Confident246 Ų24680 Ų80100%1.21237%0.373SS*.  0136.40-83-178.3171.300107.3
2V76.5Confident85.7Confident36 Ų3678.3 Ų78.322%0.21839%0.392CS..  trans-76.7135.4-177.7170.40000110.5E4 Y8 V15 D65V2-E4 WeakPolarHBondContact CG1-O 3.42Å; V2-Y8 HydrophobicContact CG1-CE2 4.23Å; V2-V15 HydrophobicContact CB-CG1 3.94Å; V2-V15 HydrophobicContact CG1-CG1 4.46Å; V2-V15 HydrophobicContact CG2-CG1 3.24Å; V2-D65 WeakPolarHBondContact CA-O 3.45Å; V2-D65 HydrophobicContact CG2-CB 3.92Å; V2-D65 WeakPolarHBondContact CG2-OD1 3.29Å
3K78.2Confident86.2Confident126 Ų12673.5 Ų73.555%0.54837%0.369SS..SBendtrans-67.1-39.2-177.6-167.4-177.5173.1-171.50112.7D65 R67K3-D65 PolarHBondContact N-O 3.5Å; K3-D65 VanDerWaalsContact N-O 3.11Å; K3-R67 WeakPolarHBondContact CD-O 3.28Å; K3-R67 PolarHBondContact NZ-O 3.02Å
4E85.6Confident86.6Confident60 Ų6073.9 Ų73.928%0.2838%0.38SS..  trans-138.7137.8-178.8-70.1175.1-164.700111.9V2 Y64 E69V2-E4 WeakPolarHBondContact CG1-O 3.42Å; E4-Y64 HydrophobicContact CB-CE2 4.42Å; E4-Y64 WeakPolarHBondContact O-CE1 3.38Å; E4-Y64 PolarHBondContact O-OH 2.86Å; E4-E69 WeakPolarHBondContact OE2-CB 3.36Å; E4-E69 PolarHBondContact OE2-N 3.26Å
5R87.7Confident86.8Confident162 Ų16271.7 Ų71.761%0.61137%0.371SS*.  trans-100.8-0.1-178.3-64.2-174.3179.8-176.80.2114.8Y7 Y8 D9 V15R5-Y7 PolarHBondContact O-N 3.4Å; R5-Y8 WeakPolarHBondContact O-CB 3.45Å; R5-Y8 PolarHBondContact O-N 3.06Å; R5-D9 VanDerWaalsContact O-CG 3.29Å; R5-D9 PolarHBondContact O-N 2.91Å; R5-V15 HydrophobicContact CG-CG2 4.09Å
6K90.4Very high86.9Confident97 Ų9775.1 Ų75.142%0.42240%0.396SS..Hα-helixtrans-52.4-46-170.5-174.1179.6170.8-170.40114.2D9 L10 Y64 E69K6-D9 PolarHBondContact O-N 3.28Å; K6-L10 HydrophobicContact CG-CD1 4.25Å; K6-L10 WeakPolarHBondContact O-CB 3.32Å; K6-L10 VanDerWaalsContact O-CG 3.28Å; K6-L10 WeakPolarHBondContact O-CG 3.46Å; K6-L10 PolarHBondContact O-N 3.02Å; K6-Y64 PolarHBondContact N-OH 2.93Å; K6-Y64 VanDerWaalsContact N-OH 3.16Å; K6-E69 WeakPolarHBondContact CD-OE2 3.4Å; K6-E69 IonicContact NZ-OE1 2.79Å; K6-E69 IonicContact NZ-OE2 2.71Å; K6-E69 PolarHBondContact NZ-OE2 2.79Å
7Y90.9Very high87.1Confident4 Ų470.7 Ų70.72%0.01637%0.373CS..Hα-helixtrans-70.2-34.6179.4-67.8-34.8000113.2R5 L10 L11 Q50 A51 V54 Y64R5-Y7 PolarHBondContact O-N 3.4Å; Y7-L10 HydrophobicContact CD1-CD1 4.15Å; Y7-L10 PolarHBondContact O-N 2.87Å; Y7-L11 PolarHBondContact O-N 3.48Å; Y7-L11 VanDerWaalsContact O-N 3.09Å; Y7-Q50 HydrophobicContact CE1-CG 4.33Å; Y7-Q50 PolarHBondContact OH-NE2 3.25Å; Y7-A51 HydrophobicContact CD1-CB 3.61Å; Y7-A51 HydrophobicContact CE1-CB 4.45Å; Y7-A51 HydrophobicContact CG-CB 4.01Å; Y7-V54 HydrophobicContact CD2-CB 4.02Å; Y7-V54 HydrophobicContact CD2-CG1 3.91Å; Y7-V54 HydrophobicContact CD2-CG2 4.44Å; Y7-V54 HydrophobicContact CE2-CB 3.88Å; Y7-V54 HydrophobicContact CE2-CG1 3.81Å; Y7-V54 HydrophobicContact CE2-CG2 3.81Å; Y7-Y64 AromaticContact CD2-CD1 3.9Å; Y7-Y64 HydrophobicContact CD2-CD1 3.9Å; Y7-Y64 AromaticContact CD2-CD2 3.48Å; Y7-Y64 HydrophobicContact CD2-CD2 3.48Å; Y7-Y64 VanDerWaalsContact CD2-CD2 3.48Å; Y7-Y64 AromaticContact CD2-CE1 3.66Å; Y7-Y64 HydrophobicContact CD2-CE1 3.66Å; Y7-Y64 AromaticContact CD2-CE2 3.23Å; Y7-Y64 HydrophobicContact CD2-CE2 3.23Å; Y7-Y64 AromaticContact CD2-CG 3.8Å; Y7-Y64 HydrophobicContact CD2-CG 3.8Å; Y7-Y64 AromaticContact CD2-CZ 3.31Å; Y7-Y64 AromaticContact CE2-CD2 3.49Å; Y7-Y64 HydrophobicContact CE2-CD2 3.49Å; Y7-Y64 VanDerWaalsContact CE2-CD2 3.49Å; Y7-Y64 AromaticContact CE2-CE2 3.41Å; Y7-Y64 HydrophobicContact CE2-CE2 3.41Å; Y7-Y64 VanDerWaalsContact CE2-CE2 3.41Å; Y7-Y64 HydrophobicContact CE2-CG 4.16Å; Y7-Y64 AromaticContact CE2-CZ 4Å; Y7-Y64 HydrophobicContact CG-CE1 4.16Å; Y7-Y64 HydrophobicContact CG-CE2 4.07Å; Y7-Y64 AromaticContact CG-CZ 3.78Å; Y7-Y64 PolarHBondContact N-OH 2.72Å
8Y92.9Very high87.2Confident1 Ų171 Ų710%0.00438%0.378CS..Hα-helixtrans-66.3-42174.5-65.2-78.3000110.8V2 R5 L11 G12 V13 V15 L55 R61 Y64 D65V2-Y8 HydrophobicContact CG1-CE2 4.23Å; R5-Y8 WeakPolarHBondContact O-CB 3.45Å; R5-Y8 PolarHBondContact O-N 3.06Å; Y8-L11 CarbonylContact O-C 3.57Å; Y8-L11 PolarHBondContact O-N 3.3Å; Y8-G12 PolarHBondContact O-N 3.47Å; Y8-V13 WeakPolarHBondContact CB-O 3.3Å; Y8-V13 HydrophobicContact CD1-CG2 4.12Å; Y8-V13 PolarHBondContact O-N 2.97Å; Y8-V15 HydrophobicContact CD2-CG1 4.43Å; Y8-V15 HydrophobicContact CD2-CG2 4.29Å; Y8-V15 HydrophobicContact CE2-CG1 4.08Å; Y8-V15 HydrophobicContact CG-CG2 4.33Å; Y8-L55 HydrophobicContact CD1-CD1 4.04Å; Y8-L55 HydrophobicContact CD1-CD2 4.36Å; Y8-L55 HydrophobicContact CD2-CD2 4.48Å; Y8-L55 HydrophobicContact CE1-CD1 4.2Å; Y8-L55 HydrophobicContact CE1-CD2 3.77Å; Y8-L55 HydrophobicContact CE2-CD2 3.92Å; Y8-L55 HydrophobicContact CG-CD1 4.35Å; Y8-R61 PolarHBondContact OH-NE 3.04Å; Y8-Y64 HydrophobicContact CD2-CE1 4.06Å; Y8-Y64 HydrophobicContact CE2-CD1 4.11Å; Y8-Y64 AromaticContact CE2-CE1 3.87Å; Y8-Y64 HydrophobicContact CE2-CE1 3.87Å; Y8-D65 VanDerWaalsContact CE2-OD1 3.27Å; Y8-D65 WeakPolarHBondContact CE2-OD1 3.5Å; Y8-D65 VanDerWaalsContact OH-CG 3.32Å; Y8-D65 PolarHBondContact OH-OD1 2.89Å; Y8-D65 PolarHBondContact OH-OD2 3.26Å; Y8-D65 VanDerWaalsContact OH-OD2 3.12Å
9D91.8Very high87.3Confident106 Ų10671.9 Ų71.957%0.56738%0.38SS*.Hα-helixtrans-66.3-41.5176.1-60.9-31.1000111.6R5 K6 L11 G12R5-D9 VanDerWaalsContact O-CG 3.29Å; R5-D9 PolarHBondContact O-N 2.91Å; K6-D9 PolarHBondContact O-N 3.28Å; D9-L11 VanDerWaalsContact C-N 3.29Å; D9-L11 PolarHBondContact O-N 3.19Å; D9-G12 PolarHBondContact O-N 2.91Å
10L90.2Very high87.3Confident39 Ų3971.9 Ų71.920%0.20439%0.391CS..Hα-helixtrans-62.9-30.9175.5-79.2173.7000113.1K6 Y7 K29 E47 A51K6-L10 HydrophobicContact CG-CD1 4.25Å; K6-L10 WeakPolarHBondContact O-CB 3.32Å; K6-L10 VanDerWaalsContact O-CG 3.28Å; K6-L10 WeakPolarHBondContact O-CG 3.46Å; K6-L10 PolarHBondContact O-N 3.02Å; Y7-L10 HydrophobicContact CD1-CD1 4.15Å; Y7-L10 PolarHBondContact O-N 2.87Å; L10-K29 VanDerWaalsContact C-NZ 3.27Å; L10-K29 WeakPolarHBondContact O-CD 3.3Å; L10-K29 WeakPolarHBondContact O-CE 3.36Å; L10-K29 PolarHBondContact O-NZ 3.2Å; L10-E47 HydrophobicContact CD1-CB 4.14Å; L10-E47 HydrophobicContact CD2-CB 4.37Å; L10-A51 HydrophobicContact CB-CB 4.18Å; L10-A51 HydrophobicContact CD1-CB 4.44Å
11L91Very high87.4Confident3 Ų373 Ų732%0.01639%0.393CS..Hα-helixtrans-89.5-16.3171-70-177.1000113.2Y7 Y8 D9 V13 I22 A25 Y26 K29 I48 A51 L55Y7-L11 PolarHBondContact O-N 3.48Å; Y7-L11 VanDerWaalsContact O-N 3.09Å; Y8-L11 CarbonylContact O-C 3.57Å; Y8-L11 PolarHBondContact O-N 3.3Å; D9-L11 VanDerWaalsContact C-N 3.29Å; D9-L11 PolarHBondContact O-N 3.19Å; L11-V13 HydrophobicContact CB-CG1 4.48Å; L11-V13 HydrophobicContact CB-CG2 3.89Å; L11-I22 HydrophobicContact CD1-CG2 3.76Å; L11-A25 HydrophobicContact CB-CB 4.44Å; L11-A25 WeakPolarHBondContact O-CB 2.93Å; L11-Y26 HydrophobicContact CD2-CD2 4.32Å; L11-K29 VanDerWaalsContact C-CE 3.42Å; L11-K29 WeakPolarHBondContact O-CE 3.23Å; L11-K29 PolarHBondContact O-NZ 3.39Å; L11-I48 HydrophobicContact CD2-CG2 4Å; L11-A51 HydrophobicContact CG-CB 4.1Å; L11-L55 HydrophobicContact CD1-CD1 3.8Å
12G90.8Very high88.8Confident59 Ų5961.3 Ų61.361%0.60834%0.336SS*.THydrogen-bonded Turntrans71.933.7-179.100000112.4Y8 D9 K29Y8-G12 PolarHBondContact O-N 3.47Å; D9-G12 PolarHBondContact O-N 2.91Å; G12-K29 VanDerWaalsContact N-NZ 3.15Å
13V92.6Very high89.4Confident16 Ų1662.5 Ų62.510%0.09734%0.338CS..  trans-118.5147.9-178.7-66.20000109.9Y8 L11 A17 I22 A25Y8-V13 WeakPolarHBondContact CB-O 3.3Å; Y8-V13 HydrophobicContact CD1-CG2 4.12Å; Y8-V13 PolarHBondContact O-N 2.97Å; L11-V13 HydrophobicContact CB-CG1 4.48Å; L11-V13 HydrophobicContact CB-CG2 3.89Å; V13-A17 HydrophobicContact CB-CB 3.77Å; V13-A17 HydrophobicContact CG2-CB 4.1Å; V13-I22 HydrophobicContact CG2-CG1 4.29Å; V13-A25 HydrophobicContact CG1-CB 3.36Å
14P91.4Very high89.9Confident79 Ų7963 Ų6351%0.51334%0.34SS..  trans-66.2157.617428.9-34.7000110.8T16 A17P14-T16 PolarHBondContact O-N 3.28Å; P14-T16 VanDerWaalsContact O-N 3.11Å; P14-A17 HydrophobicContact CG-CB 4.24Å; P14-A17 WeakPolarHBondContact O-CB 3.38Å; P14-A17 PolarHBondContact O-N 3.45Å
15V89.8Confident90.2Very high42 Ų4260.7 Ų60.726%0.25533%0.331SS..THydrogen-bonded Turntrans-59.3-26178.4-174.30000112.3V2 R5 Y8 A17 R61V2-V15 HydrophobicContact CB-CG1 3.94Å; V2-V15 HydrophobicContact CG1-CG1 4.46Å; V2-V15 HydrophobicContact CG2-CG1 3.24Å; R5-V15 HydrophobicContact CG-CG2 4.09Å; Y8-V15 HydrophobicContact CD2-CG1 4.43Å; Y8-V15 HydrophobicContact CD2-CG2 4.29Å; Y8-V15 HydrophobicContact CE2-CG1 4.08Å; Y8-V15 HydrophobicContact CG-CG2 4.33Å; V15-A17 VanDerWaalsContact C-N 3.28Å; V15-A17 PolarHBondContact O-N 3.12Å; V15-R61 PolarHBondContact O-NH2 3.38Å
16T88.9Confident90.4Very high125 Ų12553 Ų5377%0.76730%0.303SS*.THydrogen-bonded Turntrans-84.16.7176.356.80000113.9P14P14-T16 PolarHBondContact O-N 3.28Å; P14-T16 VanDerWaalsContact O-N 3.11Å
17A89.2Confident90.2Very high1 Ų154.9 Ų54.91%0.00831%0.307CS..  trans-63.3139.2-174.400000112.5V13 P14 V15 E21 I22 R61V13-A17 HydrophobicContact CB-CB 3.77Å; V13-A17 HydrophobicContact CG2-CB 4.1Å; P14-A17 HydrophobicContact CG-CB 4.24Å; P14-A17 WeakPolarHBondContact O-CB 3.38Å; P14-A17 PolarHBondContact O-N 3.45Å; V15-A17 VanDerWaalsContact C-N 3.28Å; V15-A17 PolarHBondContact O-N 3.12Å; A17-E21 VanDerWaalsContact CA-OE2 3.23Å; A17-E21 WeakPolarHBondContact CA-OE2 3.29Å; A17-E21 HydrophobicContact CB-CB 4.18Å; A17-I22 HydrophobicContact CB-CG1 4.14Å; A17-R61 VanDerWaalsContact O-CZ 3.31Å; A17-R61 PolarHBondContact O-NH1 3.4Å; A17-R61 PolarHBondContact O-NH2 2.97Å
18T90.2Very high90.1Very high76 Ų7660.8 Ų60.847%0.46634%0.335SS..  trans-72.2159.4173.561.10000110.9A20 E21 I22T18-A20 PolarHBondContact O-N 2.75Å; T18-A20 VanDerWaalsContact O-N 3.17Å; T18-E21 PolarHBondContact N-OE2 2.94Å; T18-E21 PolarHBondContact O-N 3.26Å; T18-E21 WeakPolarHBondContact OG1-CG 3.25Å; T18-E21 PolarHBondContact OG1-N 3.26Å; T18-E21 PolarHBondContact OG1-OE2 3.11Å; T18-I22 WeakPolarHBondContact O-CG1 3.4Å; T18-I22 PolarHBondContact O-N 3.2Å
19E87.8Confident90Very high89 Ų8963.3 Ų63.342%0.41635%0.345SS..Hα-helixtrans-55.1-34.3174.8-69.4-179.4-161.800112.8I22 K23E19-I22 PolarHBondContact O-N 2.81Å; E19-K23 WeakPolarHBondContact O-CB 3.45Å; E19-K23 WeakPolarHBondContact O-CG 3.3Å; E19-K23 PolarHBondContact O-N 3.35Å
20A87.7Confident89.7Confident71 Ų7158.2 Ų58.259%0.58732%0.318SS*.Hα-helixtrans-65.9-40.8177.900000111.9T18 K23 K24T18-A20 PolarHBondContact O-N 2.75Å; T18-A20 VanDerWaalsContact O-N 3.17Å; A20-K23 PolarHBondContact O-N 3.08Å; A20-K24 WeakPolarHBondContact O-CB 3.45Å; A20-K24 PolarHBondContact O-N 3.09Å
21E89.9Confident89.5Confident95 Ų9561.2 Ų61.244%0.44433%0.334SS..Hα-helixtrans-67.9-41.8176.1-71.9166.5159.400111.4A17 T18 K23 K24 A25A17-E21 VanDerWaalsContact CA-OE2 3.23Å; A17-E21 WeakPolarHBondContact CA-OE2 3.29Å; A17-E21 HydrophobicContact CB-CB 4.18Å; T18-E21 PolarHBondContact N-OE2 2.94Å; T18-E21 PolarHBondContact O-N 3.26Å; T18-E21 WeakPolarHBondContact OG1-CG 3.25Å; T18-E21 PolarHBondContact OG1-N 3.26Å; T18-E21 PolarHBondContact OG1-OE2 3.11Å; E21-K23 PolarHBondContact O-N 3.36Å; E21-K24 PolarHBondContact O-N 2.74Å; E21-A25 WeakPolarHBondContact O-CB 3.19Å; E21-A25 PolarHBondContact O-N 2.91Å
22I91Very high89.3Confident0 Ų067.4 Ų67.40%036%0.361CS..Hα-helixtrans-58.8-48.1173.9-68.4164000110.3L11 V13 A17 T18 E19 K24 A25 Y26 F52 L55 R61L11-I22 HydrophobicContact CD1-CG2 3.76Å; V13-I22 HydrophobicContact CG2-CG1 4.29Å; A17-I22 HydrophobicContact CB-CG1 4.14Å; T18-I22 WeakPolarHBondContact O-CG1 3.4Å; T18-I22 PolarHBondContact O-N 3.2Å; E19-I22 PolarHBondContact O-N 2.81Å; I22-K24 VanDerWaalsContact C-N 3.33Å; I22-K24 PolarHBondContact O-N 3.28Å; I22-A25 PolarHBondContact O-N 2.82Å; I22-Y26 WeakPolarHBondContact O-CB 3.4Å; I22-Y26 PolarHBondContact O-N 2.79Å; I22-F52 HydrophobicContact CG2-CD2 3.97Å; I22-F52 HydrophobicContact CG2-CE2 4.24Å; I22-L55 HydrophobicContact CD1-CB 4.21Å; I22-L55 HydrophobicContact CG2-CB 4Å; I22-R61 VanDerWaalsContact CD1-NH1 3.3Å
23K89.1Confident89.1Confident61 Ų6166.8 Ų66.827%0.26534%0.34SS..Hα-helixtrans-62.3-35.9175.7-77.2171.8-179.1164.10112.7E19 A20 E21 R27 F52E19-K23 WeakPolarHBondContact O-CB 3.45Å; E19-K23 WeakPolarHBondContact O-CG 3.3Å; E19-K23 PolarHBondContact O-N 3.35Å; A20-K23 PolarHBondContact O-N 3.08Å; E21-K23 PolarHBondContact O-N 3.36Å; K23-R27 WeakPolarHBondContact O-CG 3.38Å; K23-R27 PolarHBondContact O-N 2.75Å; K23-F52 HydrophobicContact CB-CE2 4.34Å; K23-F52 HydrophobicContact CG-CE2 3.67Å; K23-F52 HydrophobicContact CG-CZ 3.91Å
24K90Very high88.7Confident137 Ų13767.8 Ų67.860%0.59634%0.344SS*.Hα-helixtrans-71.9-43178-172.7179179.3-177.30111.5A20 E21 I22 R27 Q28A20-K24 WeakPolarHBondContact O-CB 3.45Å; A20-K24 PolarHBondContact O-N 3.09Å; E21-K24 PolarHBondContact O-N 2.74Å; I22-K24 VanDerWaalsContact C-N 3.33Å; I22-K24 PolarHBondContact O-N 3.28Å; K24-R27 WeakPolarHBondContact O-CB 3.06Å; K24-R27 PolarHBondContact O-N 3.37Å; K24-Q28 PolarHBondContact O-N 3.31Å
25A91.8Very high88.1Confident12 Ų1265.9 Ų65.910%0.09933%0.331CS..Hα-helixtrans-65.6-42.4177.900000111.9L11 V13 E21 I22 R27 Q28 K29L11-A25 HydrophobicContact CB-CB 4.44Å; L11-A25 WeakPolarHBondContact O-CB 2.93Å; V13-A25 HydrophobicContact CG1-CB 3.36Å; E21-A25 WeakPolarHBondContact O-CB 3.19Å; E21-A25 PolarHBondContact O-N 2.91Å; I22-A25 PolarHBondContact O-N 2.82Å; A25-R27 PolarHBondContact O-N 3.03Å; A25-Q28 PolarHBondContact O-N 2.85Å; A25-K29 PolarHBondContact O-N 2.9Å
26Y90.2Very high87.8Confident1 Ų170.5 Ų70.50%0.00436%0.355CS..Hα-helixtrans-58.5-46.3173.4177.2-104.5000111.7L11 I22 Q28 K29 A30 I48 F52 F89 F93L11-Y26 HydrophobicContact CD2-CD2 4.32Å; I22-Y26 WeakPolarHBondContact O-CB 3.4Å; I22-Y26 PolarHBondContact O-N 2.79Å; Y26-Q28 VanDerWaalsContact C-N 3.32Å; Y26-Q28 PolarHBondContact O-N 2.89Å; Y26-K29 PolarHBondContact O-N 3.46Å; Y26-A30 HydrophobicContact CD1-CB 4.45Å; Y26-A30 HydrophobicContact CE1-CB 4.1Å; Y26-A30 HydrophobicContact CE2-CB 4.24Å; Y26-A30 WeakPolarHBondContact O-CB 3.46Å; Y26-A30 PolarHBondContact O-N 2.89Å; Y26-I48 HydrophobicContact CD2-CG2 3.61Å; Y26-I48 HydrophobicContact CE2-CG2 3.81Å; Y26-F52 VanDerWaalsContact CB-CD2 3.48Å; Y26-F52 AromaticContact CD1-CD1 3.9Å; Y26-F52 HydrophobicContact CD1-CD1 3.9Å; Y26-F52 HydrophobicContact CD1-CD2 4.15Å; Y26-F52 HydrophobicContact CD1-CE1 4.12Å; Y26-F52 HydrophobicContact CD1-CE2 4.37Å; Y26-F52 AromaticContact CD1-CG 3.92Å; Y26-F52 HydrophobicContact CD1-CG 3.92Å; Y26-F52 HydrophobicContact CD1-CZ 4.36Å; Y26-F52 HydrophobicContact CD2-CB 3.36Å; Y26-F52 HydrophobicContact CD2-CD1 4.16Å; Y26-F52 HydrophobicContact CD2-CD2 4.2Å; Y26-F52 AromaticContact CD2-CG 3.64Å; Y26-F52 HydrophobicContact CD2-CG 3.64Å; Y26-F52 HydrophobicContact CE1-CD1 4.02Å; Y26-F52 HydrophobicContact CE1-CE1 4.32Å; Y26-F52 HydrophobicContact CE1-CG 4.39Å; Y26-F52 HydrophobicContact CE2-CB 3.81Å; Y26-F52 HydrophobicContact CE2-CD1 4.27Å; Y26-F52 HydrophobicContact CE2-CG 4.14Å; Y26-F52 HydrophobicContact CG-CB 3.76Å; Y26-F52 AromaticContact CG-CD1 3.96Å; Y26-F52 HydrophobicContact CG-CD1 3.96Å; Y26-F52 AromaticContact CG-CD2 3.67Å; Y26-F52 HydrophobicContact CG-CD2 3.67Å; Y26-F52 HydrophobicContact CG-CE2 4.28Å; Y26-F52 AromaticContact CG-CG 3.49Å; Y26-F52 HydrophobicContact CG-CG 3.49Å; Y26-F52 VanDerWaalsContact CG-CG 3.49Å; Y26-F89 HydrophobicContact CE1-CD2 4.48Å; Y26-F93 HydrophobicContact CD1-CD2 4.35Å; Y26-F93 AromaticContact CD1-CE2 3.41Å; Y26-F93 HydrophobicContact CD1-CE2 3.41Å; Y26-F93 VanDerWaalsContact CD1-CE2 3.41Å; Y26-F93 AromaticContact CD1-CZ 3.71Å; Y26-F93 HydrophobicContact CD1-CZ 3.71Å; Y26-F93 AromaticContact CE1-CD2 3.79Å; Y26-F93 HydrophobicContact CE1-CD2 3.79Å; Y26-F93 AromaticContact CE1-CE2 3.23Å; Y26-F93 HydrophobicContact CE1-CE2 3.23Å; Y26-F93 HydrophobicContact CE1-CZ 4.01Å
27R87.2Confident87.3Confident136 Ų13671.4 Ų71.451%0.51335%0.348SS..Hα-helixtrans-54-47.4176.5-80.9-177.8-126.1-1480.8112.8K23 K24 A25 L31 F93K23-R27 WeakPolarHBondContact O-CG 3.38Å; K23-R27 PolarHBondContact O-N 2.75Å; K24-R27 WeakPolarHBondContact O-CB 3.06Å; K24-R27 PolarHBondContact O-N 3.37Å; A25-R27 PolarHBondContact O-N 3.03Å; R27-L31 WeakPolarHBondContact O-CB 3.31Å; R27-L31 WeakPolarHBondContact O-CD1 3.16Å; R27-L31 PolarHBondContact O-N 3.38Å; R27-L31 VanDerWaalsContact O-N 3.11Å; R27-F93 HydrophobicContact CG-CD1 4.01Å; R27-F93 HydrophobicContact CG-CE1 3.14Å; R27-F93 HydrophobicContact CG-CZ 3.61Å
28Q89.3Confident86.8Confident128 Ų12874 Ų7460%0.59836%0.362SS*.Hα-helixtrans-65.2-42.6-178.4-69.8-179.8-9.100111.8K24 A25 Y26 K32K24-Q28 PolarHBondContact O-N 3.31Å; A25-Q28 PolarHBondContact O-N 2.85Å; Y26-Q28 VanDerWaalsContact C-N 3.32Å; Y26-Q28 PolarHBondContact O-N 2.89Å; Q28-K32 PolarHBondContact O-N 3.06Å
29K89.4Confident86.2Confident53 Ų5374.9 Ų74.923%0.2337%0.369CS..Hα-helixtrans-74.6-38.7179.6-68.1-166.3-180-172.10112.6L10 L11 G12 A25 Y26 L31 K32 Y33 I48L10-K29 VanDerWaalsContact C-NZ 3.27Å; L10-K29 WeakPolarHBondContact O-CD 3.3Å; L10-K29 WeakPolarHBondContact O-CE 3.36Å; L10-K29 PolarHBondContact O-NZ 3.2Å; L11-K29 VanDerWaalsContact C-CE 3.42Å; L11-K29 WeakPolarHBondContact O-CE 3.23Å; L11-K29 PolarHBondContact O-NZ 3.39Å; G12-K29 VanDerWaalsContact N-NZ 3.15Å; A25-K29 PolarHBondContact O-N 2.9Å; Y26-K29 PolarHBondContact O-N 3.46Å; K29-L31 PolarHBondContact O-N 3.01Å; K29-K32 PolarHBondContact O-N 3.44Å; K29-K32 VanDerWaalsContact O-N 3.14Å; K29-Y33 HydrophobicContact CB-CD2 4.36Å; K29-Y33 VanDerWaalsContact O-CD2 3.28Å; K29-Y33 WeakPolarHBondContact O-CD2 3.25Å; K29-Y33 PolarHBondContact O-N 3.26Å; K29-I48 HydrophobicContact CB-CD1 3.85Å; K29-I48 HydrophobicContact CB-CG1 4.42Å; K29-I48 HydrophobicContact CB-CG2 3.96Å; K29-I48 HydrophobicContact CD-CD1 4.2Å; K29-I48 HydrophobicContact CD-CG1 4.37Å
30A87.1Confident85.8Confident0 Ų078 Ų780%039%0.388CS..Hα-helixtrans-61.8-40.7176.200000111.9Y26 K32 H34 F45 F89Y26-A30 HydrophobicContact CD1-CB 4.45Å; Y26-A30 HydrophobicContact CE1-CB 4.1Å; Y26-A30 HydrophobicContact CE2-CB 4.24Å; Y26-A30 WeakPolarHBondContact O-CB 3.46Å; Y26-A30 PolarHBondContact O-N 2.89Å; A30-K32 VanDerWaalsContact C-N 3.33Å; A30-K32 PolarHBondContact O-N 2.85Å; A30-H34 WeakPolarHBondContact O-CA 3.15Å; A30-H34 WeakPolarHBondContact O-CB 3.46Å; A30-H34 PolarHBondContact O-N 2.72Å; A30-F45 HydrophobicContact CB-CE2 4Å; A30-F89 HydrophobicContact CB-CD2 4.23Å; A30-F89 HydrophobicContact CB-CE2 4.07Å
31L85.8Confident85.5Confident101 Ų10175.3 Ų75.353%0.52937%0.365SS..Hα-helixtrans-66-33.8173.7-85.2157.6000113.1R27 K29R27-L31 WeakPolarHBondContact O-CB 3.31Å; R27-L31 WeakPolarHBondContact O-CD1 3.16Å; R27-L31 PolarHBondContact O-N 3.38Å; R27-L31 VanDerWaalsContact O-N 3.11Å; K29-L31 PolarHBondContact O-N 3.01Å
32K86.8Confident84.9Confident134 Ų13472.5 Ų72.558%0.58336%0.358SS*.Hα-helixtrans-76.4-35.9-178.8-174.6176.3-179.9178.40112.8Q28 K29 A30Q28-K32 PolarHBondContact O-N 3.06Å; K29-K32 PolarHBondContact O-N 3.44Å; K29-K32 VanDerWaalsContact O-N 3.14Å; A30-K32 VanDerWaalsContact C-N 3.33Å; A30-K32 PolarHBondContact O-N 2.85Å
33Y87Confident84.5Confident46 Ų4677.5 Ų77.518%0.1839%0.385CS..SBendtrans-11017.5-175.8-60.1-65.5000113.1K29 K44 F45 I48K29-Y33 HydrophobicContact CB-CD2 4.36Å; K29-Y33 VanDerWaalsContact O-CD2 3.28Å; K29-Y33 WeakPolarHBondContact O-CD2 3.25Å; K29-Y33 PolarHBondContact O-N 3.26Å; Y33-K44 HydrophobicContact CD1-CB 4.33Å; Y33-K44 HydrophobicContact CD1-CD 4.24Å; Y33-K44 HydrophobicContact CE1-CD 3.82Å; Y33-K44 HydrophobicContact CG-CB 4.37Å; Y33-F45 WeakPolarHBondContact O-CB 3.39Å; Y33-F45 WeakPolarHBondContact O-CD2 3.29Å; Y33-I48 HydrophobicContact CD2-CD1 3.27Å; Y33-I48 HydrophobicContact CE2-CD1 3.7Å; Y33-I48 HydrophobicContact CG-CD1 4.16Å
34H82.9Confident84.3Confident37 Ų3779.8 Ų79.817%0.17140%0.395CS..  trans-61.8133.7178.4-165.7-91.7000110.3A30 D36 K37 N38A30-H34 WeakPolarHBondContact O-CA 3.15Å; A30-H34 WeakPolarHBondContact O-CB 3.46Å; A30-H34 PolarHBondContact O-N 2.72Å; H34-D36 WeakPolarHBondContact ND1-CB 3.4Å; H34-D36 PolarHBondContact ND1-N 2.96Å; H34-D36 PolarHBondContact O-N 3.32Å; H34-D36 VanDerWaalsContact O-N 3.12Å; H34-K37 PolarHBondContact O-N 3.22Å; H34-N38 PolarHBondContact O-N 2.89Å
35P79.3Confident84.2Confident38 Ų3873.5 Ų73.525%0.24737%0.367CS..THydrogen-bonded Turntrans-56.9-33.1-175.7-25.233.2000113.7K37 F45 M86P35-K37 VanDerWaalsContact C-N 3.29Å; P35-K37 PolarHBondContact O-N 2.5Å; P35-F45 HydrophobicContact CG-CD1 4.35Å; P35-M86 HydrophobicContact CB-CE 3.78Å; P35-M86 HydrophobicContact CG-CE 3.66Å
36D82.5Confident83.8Confident139 Ų13978.1 Ų78.174%0.74339%0.385SS*.THydrogen-bonded Turntrans-65.2-29.4176.6-16547.9000113.4H34H34-D36 WeakPolarHBondContact ND1-CB 3.4Å; H34-D36 PolarHBondContact ND1-N 2.96Å; H34-D36 PolarHBondContact O-N 3.32Å; H34-D36 VanDerWaalsContact O-N 3.12Å
37K80.2Confident83.7Confident144 Ų14482.2 Ų82.263%0.62641%0.405SS*.THydrogen-bonded Turntrans-99.9-26.5-179.3-68-173.8177.9-175.60113.2H34 P35H34-K37 PolarHBondContact O-N 3.22Å; P35-K37 VanDerWaalsContact C-N 3.29Å; P35-K37 PolarHBondContact O-N 2.5Å
38N78.4Confident83.8Confident57 Ų5776 Ų7631%0.30538%0.382SS..  trans-148.778.1-173.3-153-26.3000110.4H34 D40 S41H34-N38 PolarHBondContact O-N 2.89Å; N38-D40 PolarHBondContact O-N 2.78Å; N38-S41 PolarHBondContact O-N 2.93Å; N38-S41 VanDerWaalsContact O-N 3.09Å; N38-S41 PolarHBondContact OD1-OG 2.83Å
39P77Confident83.7Confident93 Ų9370 Ų7060%0.60435%0.354SS*.G310 helixtrans-60.4-29.6-173.720.5-30.7000113.3S41P39-S41 PolarHBondContact O-N 2.76Å
40D79.7Confident83.6Confident155 Ų15571.1 Ų71.183%0.82936%0.36SS*.G310 helixtrans-73.7-12.1179.8-58.7-29.9000113.6N38N38-D40 PolarHBondContact O-N 2.78Å
41S80.1Confident83.8Confident14 Ų1471.1 Ų71.110%0.09836%0.36CS..G310 helixtrans-100.817.5-176.6-59.60000113.5N38 P39 D43 K44 F45N38-S41 PolarHBondContact O-N 2.93Å; N38-S41 VanDerWaalsContact O-N 3.09Å; N38-S41 PolarHBondContact OD1-OG 2.83Å; P39-S41 PolarHBondContact O-N 2.76Å; S41-D43 VanDerWaalsContact C-N 3.26Å; S41-D43 PolarHBondContact O-N 2.81Å; S41-K44 WeakPolarHBondContact O-CB 3.28Å; S41-K44 PolarHBondContact O-N 3Å; S41-K44 VanDerWaalsContact O-N 3.09Å; S41-F45 PolarHBondContact O-N 3.22Å
42A77.9Confident84Confident37 Ų3766.5 Ų66.531%0.30634%0.336SS..Hα-helixtrans-54.6-39.8-17700000112.9F45 K46A42-F45 WeakPolarHBondContact O-CB 3.36Å; A42-F45 PolarHBondContact O-N 2.82Å; A42-K46 WeakPolarHBondContact O-CG 3.48Å; A42-K46 PolarHBondContact O-N 3.41Å; A42-K46 VanDerWaalsContact O-N 3.11Å
43D83.3Confident84Confident104 Ų10463.9 Ų63.956%0.55633%0.326SS*.Hα-helixtrans-70.8-35.6179.7-65.4-31.2000112.6S41 F45 K46 E47S41-D43 VanDerWaalsContact C-N 3.26Å; S41-D43 PolarHBondContact O-N 2.81Å; D43-F45 VanDerWaalsContact C-N 3.3Å; D43-F45 PolarHBondContact O-N 3.02Å; D43-K46 WeakPolarHBondContact O-CB 3.36Å; D43-K46 PolarHBondContact O-N 3.11Å; D43-K46 IonicContact OD1-NZ 2.76Å; D43-K46 PolarHBondContact OD1-NZ 3.29Å; D43-K46 VanDerWaalsContact OD1-NZ 3.13Å; D43-E47 PolarHBondContact O-N 3.12Å
44K85.1Confident84.1Confident110 Ų11062 Ų6248%0.47832%0.32SS..Hα-helixtrans-64.3-38172.4-68.1179-179.81690111.3Y33 S41 K46 E47 I48Y33-K44 HydrophobicContact CD1-CB 4.33Å; Y33-K44 HydrophobicContact CD1-CD 4.24Å; Y33-K44 HydrophobicContact CE1-CD 3.82Å; Y33-K44 HydrophobicContact CG-CB 4.37Å; S41-K44 WeakPolarHBondContact O-CB 3.28Å; S41-K44 PolarHBondContact O-N 3Å; S41-K44 VanDerWaalsContact O-N 3.09Å; K44-K46 VanDerWaalsContact C-N 3.33Å; K44-E47 PolarHBondContact O-N 2.79Å; K44-I48 WeakPolarHBondContact O-CB 3.49Å; K44-I48 VanDerWaalsContact O-CD1 3.32Å; K44-I48 WeakPolarHBondContact O-CD1 3.5Å; K44-I48 VanDerWaalsContact O-CG1 3.27Å; K44-I48 WeakPolarHBondContact O-CG1 3.48Å; K44-I48 PolarHBondContact O-N 3.31Å
45F86.4Confident84.5Confident4 Ų460.3 Ų60.32%0.01831%0.312CS..Hα-helixtrans-64.1-38.7176.6-172-103.6000112.1A30 Y33 P35 S41 A42 D43 S49 P85 F89A30-F45 HydrophobicContact CB-CE2 4Å; Y33-F45 WeakPolarHBondContact O-CB 3.39Å; Y33-F45 WeakPolarHBondContact O-CD2 3.29Å; P35-F45 HydrophobicContact CG-CD1 4.35Å; S41-F45 PolarHBondContact O-N 3.22Å; A42-F45 WeakPolarHBondContact O-CB 3.36Å; A42-F45 PolarHBondContact O-N 2.82Å; D43-F45 VanDerWaalsContact C-N 3.3Å; D43-F45 PolarHBondContact O-N 3.02Å; F45-S49 VanDerWaalsContact O-CB 3.3Å; F45-S49 WeakPolarHBondContact O-CB 3.38Å; F45-S49 PolarHBondContact O-N 3.1Å; F45-S49 PolarHBondContact O-OG 3.03Å; F45-P85 HydrophobicContact CD1-CB 3.75Å; F45-P85 HydrophobicContact CE1-CB 3.57Å; F45-F89 HydrophobicContact CZ-CB 4.37Å
46K85.1Confident84.8Confident109 Ų10959.9 Ų59.947%0.47431%0.31SS..Hα-helixtrans-61.3-49.5173.5-70.1169.9-171.6163.50111.3A42 D43 K44 I48 S49 Q50 P85A42-K46 WeakPolarHBondContact O-CG 3.48Å; A42-K46 PolarHBondContact O-N 3.41Å; A42-K46 VanDerWaalsContact O-N 3.11Å; D43-K46 WeakPolarHBondContact O-CB 3.36Å; D43-K46 PolarHBondContact O-N 3.11Å; D43-K46 IonicContact OD1-NZ 2.76Å; D43-K46 PolarHBondContact OD1-NZ 3.29Å; D43-K46 VanDerWaalsContact OD1-NZ 3.13Å; K44-K46 VanDerWaalsContact C-N 3.33Å; K46-I48 PolarHBondContact O-N 3Å; K46-S49 PolarHBondContact O-N 2.9Å; K46-Q50 WeakPolarHBondContact O-CB 3.47Å; K46-Q50 PolarHBondContact O-N 2.82Å; K46-P85 HydrophobicContact CG-CG 3.93Å
47E87.7Confident84.9Confident88 Ų8855.7 Ų55.741%0.41129%0.287SS..Hα-helixtrans-62.6-42.5179.8-70.3-178.5176.600112.7L10 D43 K44 Q50 A51L10-E47 HydrophobicContact CD1-CB 4.14Å; L10-E47 HydrophobicContact CD2-CB 4.37Å; D43-E47 PolarHBondContact O-N 3.12Å; K44-E47 PolarHBondContact O-N 2.79Å; E47-Q50 PolarHBondContact O-N 2.88Å; E47-A51 WeakPolarHBondContact O-CB 3.21Å; E47-A51 PolarHBondContact O-N 2.86Å
48I89.9Confident85.3Confident6 Ų652.6 Ų52.63%0.03128%0.282CS..Hα-helixtrans-65.4-40.1177.7-72.6159.2000111.2L11 Y26 K29 Y33 K44 K46 A51 F52L11-I48 HydrophobicContact CD2-CG2 4Å; Y26-I48 HydrophobicContact CD2-CG2 3.61Å; Y26-I48 HydrophobicContact CE2-CG2 3.81Å; K29-I48 HydrophobicContact CB-CD1 3.85Å; K29-I48 HydrophobicContact CB-CG1 4.42Å; K29-I48 HydrophobicContact CB-CG2 3.96Å; K29-I48 HydrophobicContact CD-CD1 4.2Å; K29-I48 HydrophobicContact CD-CG1 4.37Å; Y33-I48 HydrophobicContact CD2-CD1 3.27Å; Y33-I48 HydrophobicContact CE2-CD1 3.7Å; Y33-I48 HydrophobicContact CG-CD1 4.16Å; K44-I48 WeakPolarHBondContact O-CB 3.49Å; K44-I48 VanDerWaalsContact O-CD1 3.32Å; K44-I48 WeakPolarHBondContact O-CD1 3.5Å; K44-I48 VanDerWaalsContact O-CG1 3.27Å; K44-I48 WeakPolarHBondContact O-CG1 3.48Å; K44-I48 PolarHBondContact O-N 3.31Å; K46-I48 PolarHBondContact O-N 3Å; I48-A51 PolarHBondContact O-N 3.03Å; I48-F52 WeakPolarHBondContact O-CB 3.33Å; I48-F52 PolarHBondContact O-N 3.12Å
49S86.8Confident85.6Confident2 Ų256.9 Ų56.91%0.01430%0.3CS..Hα-helixtrans-65.6-41.8176-58.30000111.6F45 K46 F52 M53F45-S49 VanDerWaalsContact O-CB 3.3Å; F45-S49 WeakPolarHBondContact O-CB 3.38Å; F45-S49 PolarHBondContact O-N 3.1Å; F45-S49 PolarHBondContact O-OG 3.03Å; K46-S49 PolarHBondContact O-N 2.9Å; S49-F52 PolarHBondContact O-N 2.88Å; S49-M53 WeakPolarHBondContact O-CG 3.27Å; S49-M53 PolarHBondContact O-N 2.77Å
50Q87.8Confident86Confident76 Ų7655.5 Ų55.536%0.35528%0.284SS..Hα-helixtrans-63.5-45.3174.8-173.5177.79.100111.9Y7 K46 E47 F52 M53 V54Y7-Q50 HydrophobicContact CE1-CG 4.33Å; Y7-Q50 PolarHBondContact OH-NE2 3.25Å; K46-Q50 WeakPolarHBondContact O-CB 3.47Å; K46-Q50 PolarHBondContact O-N 2.82Å; E47-Q50 PolarHBondContact O-N 2.88Å; Q50-F52 VanDerWaalsContact C-N 3.3Å; Q50-F52 PolarHBondContact O-N 2.85Å; Q50-M53 PolarHBondContact O-N 2.88Å; Q50-V54 PolarHBondContact O-N 2.74Å; Q50-V54 VanDerWaalsContact O-N 3.15Å
51A90.5Very high86.5Confident0 Ų050 Ų500%025%0.252CS..Hα-helixtrans-58.8-43.1176.400000111.5Y7 L10 L11 E47 I48 V54 L55Y7-A51 HydrophobicContact CD1-CB 3.61Å; Y7-A51 HydrophobicContact CE1-CB 4.45Å; Y7-A51 HydrophobicContact CG-CB 4.01Å; L10-A51 HydrophobicContact CB-CB 4.18Å; L10-A51 HydrophobicContact CD1-CB 4.44Å; L11-A51 HydrophobicContact CG-CB 4.1Å; E47-A51 WeakPolarHBondContact O-CB 3.21Å; E47-A51 PolarHBondContact O-N 2.86Å; I48-A51 PolarHBondContact O-N 3.03Å; A51-V54 PolarHBondContact O-N 2.72Å; A51-L55 WeakPolarHBondContact O-CB 3.38Å; A51-L55 VanDerWaalsContact O-CG 3.31Å; A51-L55 WeakPolarHBondContact O-CG 3.34Å; A51-L55 PolarHBondContact O-N 2.83Å
52F90.2Very high86.8Confident4 Ų455.8 Ų55.82%0.01828%0.278CS..Hα-helixtrans-66.6-41.7177.1179.7-108.4000112.7I22 K23 Y26 I48 S49 Q50 V54 L55 S56 F92I22-F52 HydrophobicContact CG2-CD2 3.97Å; I22-F52 HydrophobicContact CG2-CE2 4.24Å; K23-F52 HydrophobicContact CB-CE2 4.34Å; K23-F52 HydrophobicContact CG-CE2 3.67Å; K23-F52 HydrophobicContact CG-CZ 3.91Å; Y26-F52 VanDerWaalsContact CB-CD2 3.48Å; Y26-F52 AromaticContact CD1-CD1 3.9Å; Y26-F52 HydrophobicContact CD1-CD1 3.9Å; Y26-F52 HydrophobicContact CD1-CD2 4.15Å; Y26-F52 HydrophobicContact CD1-CE1 4.12Å; Y26-F52 HydrophobicContact CD1-CE2 4.37Å; Y26-F52 AromaticContact CD1-CG 3.92Å; Y26-F52 HydrophobicContact CD1-CG 3.92Å; Y26-F52 HydrophobicContact CD1-CZ 4.36Å; Y26-F52 HydrophobicContact CD2-CB 3.36Å; Y26-F52 HydrophobicContact CD2-CD1 4.16Å; Y26-F52 HydrophobicContact CD2-CD2 4.2Å; Y26-F52 AromaticContact CD2-CG 3.64Å; Y26-F52 HydrophobicContact CD2-CG 3.64Å; Y26-F52 HydrophobicContact CE1-CD1 4.02Å; Y26-F52 HydrophobicContact CE1-CE1 4.32Å; Y26-F52 HydrophobicContact CE1-CG 4.39Å; Y26-F52 HydrophobicContact CE2-CB 3.81Å; Y26-F52 HydrophobicContact CE2-CD1 4.27Å; Y26-F52 HydrophobicContact CE2-CG 4.14Å; Y26-F52 HydrophobicContact CG-CB 3.76Å; Y26-F52 AromaticContact CG-CD1 3.96Å; Y26-F52 HydrophobicContact CG-CD1 3.96Å; Y26-F52 AromaticContact CG-CD2 3.67Å; Y26-F52 HydrophobicContact CG-CD2 3.67Å; Y26-F52 HydrophobicContact CG-CE2 4.28Å; Y26-F52 AromaticContact CG-CG 3.49Å; Y26-F52 HydrophobicContact CG-CG 3.49Å; Y26-F52 VanDerWaalsContact CG-CG 3.49Å; I48-F52 WeakPolarHBondContact O-CB 3.33Å; I48-F52 PolarHBondContact O-N 3.12Å; S49-F52 PolarHBondContact O-N 2.88Å; Q50-F52 VanDerWaalsContact C-N 3.3Å; Q50-F52 PolarHBondContact O-N 2.85Å; F52-V54 VanDerWaalsContact C-N 3.28Å; F52-V54 PolarHBondContact O-N 2.91Å; F52-L55 PolarHBondContact O-N 2.86Å; F52-S56 WeakPolarHBondContact O-CB 3.33Å; F52-S56 PolarHBondContact O-N 3.47Å; F52-S56 PolarHBondContact O-OG 2.9Å; F52-F92 HydrophobicContact CE1-CD1 4.33Å; F52-F92 HydrophobicContact CE1-CE1 4.47Å; F52-F92 HydrophobicContact CZ-CD1 4.34Å; F52-F92 HydrophobicContact CZ-CE1 4.16Å
53M87Confident87.2Confident78 Ų7856.6 Ų56.638%0.38428%0.276SS..Hα-helixtrans-59.3-38.7176.8-79.5-162.5-6600113.1S49 Q50 I88S49-M53 WeakPolarHBondContact O-CG 3.27Å; S49-M53 PolarHBondContact O-N 2.77Å; Q50-M53 PolarHBondContact O-N 2.88Å; M53-I88 HydrophobicContact CE-CD1 4.03Å; M53-I88 HydrophobicContact CG-CD1 4.18Å; M53-I88 HydrophobicContact SD-CD1 3.36Å; M53-I88 WeakPolarHBondContact SD-CD1 3.48Å; M53-I88 HydrophobicContact SD-CG1 4.39Å
54V89Confident87.4Confident8 Ų851.7 Ų51.75%0.04825%0.25CC..Hα-helixtrans-77.1-42.3179.6177.20000111.2Y7 Q50 A51 F52 K60 R61 Y64 I72Y7-V54 HydrophobicContact CD2-CB 4.02Å; Y7-V54 HydrophobicContact CD2-CG1 3.91Å; Y7-V54 HydrophobicContact CD2-CG2 4.44Å; Y7-V54 HydrophobicContact CE2-CB 3.88Å; Y7-V54 HydrophobicContact CE2-CG1 3.81Å; Y7-V54 HydrophobicContact CE2-CG2 3.81Å; Q50-V54 PolarHBondContact O-N 2.74Å; Q50-V54 VanDerWaalsContact O-N 3.15Å; A51-V54 PolarHBondContact O-N 2.72Å; F52-V54 VanDerWaalsContact C-N 3.28Å; F52-V54 PolarHBondContact O-N 2.91Å; V54-K60 HydrophobicContact CG1-CB 4.28Å; V54-K60 CarbonylContact O-C 3.52Å; V54-K60 WeakPolarHBondContact O-CB 3.45Å; V54-R61 PolarHBondContact O-N 3.2Å; V54-Y64 HydrophobicContact CG1-CD2 4.5Å; V54-Y64 HydrophobicContact CG1-CG 4.09Å; V54-I72 HydrophobicContact CG1-CD1 3.94Å; V54-I72 HydrophobicContact CG1-CG1 4.06Å; V54-I72 HydrophobicContact CG2-CG2 4.08Å
55L89.8Confident87.6Confident1 Ų148.1 Ų48.11%0.00524%0.236CC..Hα-helixtrans-83.4-16.4-174.6-66.6178.9000114.5Y8 L11 I22 A51 F52 R61 Y64Y8-L55 HydrophobicContact CD1-CD1 4.04Å; Y8-L55 HydrophobicContact CD1-CD2 4.36Å; Y8-L55 HydrophobicContact CD2-CD2 4.48Å; Y8-L55 HydrophobicContact CE1-CD1 4.2Å; Y8-L55 HydrophobicContact CE1-CD2 3.77Å; Y8-L55 HydrophobicContact CE2-CD2 3.92Å; Y8-L55 HydrophobicContact CG-CD1 4.35Å; L11-L55 HydrophobicContact CD1-CD1 3.8Å; I22-L55 HydrophobicContact CD1-CB 4.21Å; I22-L55 HydrophobicContact CG2-CB 4Å; A51-L55 WeakPolarHBondContact O-CB 3.38Å; A51-L55 VanDerWaalsContact O-CG 3.31Å; A51-L55 WeakPolarHBondContact O-CG 3.34Å; A51-L55 PolarHBondContact O-N 2.83Å; F52-L55 PolarHBondContact O-N 2.86Å; L55-R61 HydrophobicContact CD2-CG 4.08Å; L55-Y64 HydrophobicContact CD2-CD1 4.15Å
56S85.9Confident87.6Confident29 Ų2952.6 Ų52.620%0.20326%0.264CS..SBendtrans-82.9-19.8179.460.60000114.1F52F52-S56 WeakPolarHBondContact O-CB 3.33Å; F52-S56 PolarHBondContact O-N 3.47Å; F52-S56 PolarHBondContact O-OG 2.9Å
57D85.8Confident87.4Confident50 Ų5054.5 Ų54.527%0.26727%0.268SS..SBendtrans-100.9117.9177.9-176.2-20.2000108.9E59 K60 R61D57-E59 PolarHBondContact O-N 3.4Å; D57-E59 PolarHBondContact OD1-N 2.84Å; D57-E59 VanDerWaalsContact OD1-N 3.15Å; D57-K60 HydrophobicContact CB-CB 4.07Å; D57-K60 HydrophobicContact CB-CD 3.97Å; D57-K60 HydrophobicContact CB-CG 4.03Å; D57-K60 PolarHBondContact O-N 2.63Å; D57-K60 VanDerWaalsContact OD2-CE 3.31Å; D57-K60 WeakPolarHBondContact OD2-CE 3.12Å; D57-K60 IonicContact OD2-NZ 3.6Å; D57-R61 WeakPolarHBondContact O-CB 3Å; D57-R61 PolarHBondContact O-N 3.22Å
58P87.2Confident87.2Confident79 Ų7950.3 Ų50.351%0.51325%0.249SC..Hα-helixtrans-53.4-38.8-177.6-25.933.9000113.6R61 E62P58-R61 PolarHBondContact O-N 3.24Å; P58-E62 PolarHBondContact O-N 2.79Å
59E85.1Confident86.6Confident147 Ų14751.5 Ų51.569%0.68725%0.254SS*.Hα-helixtrans-70-45-178.1-63.9-176.4178.500110.9D57 R61 E62 I63D57-E59 PolarHBondContact O-N 3.4Å; D57-E59 PolarHBondContact OD1-N 2.84Å; D57-E59 VanDerWaalsContact OD1-N 3.15Å; E59-R61 VanDerWaalsContact C-N 3.32Å; E59-R61 PolarHBondContact O-N 3.47Å; E59-E62 PolarHBondContact O-N 3.1Å; E59-I63 WeakPolarHBondContact O-CG1 3.33Å; E59-I63 PolarHBondContact O-N 2.82Å; E59-I63 VanDerWaalsContact O-N 3.08Å
60K86.5Confident86.1Confident64 Ų6456.6 Ų56.628%0.27828%0.277SS..Hα-helixtrans-68.3-35177.7-62.7-179.6-171.9171.30111.6V54 D57 I63 Y64 I72V54-K60 HydrophobicContact CG1-CB 4.28Å; V54-K60 CarbonylContact O-C 3.52Å; V54-K60 WeakPolarHBondContact O-CB 3.45Å; D57-K60 HydrophobicContact CB-CB 4.07Å; D57-K60 HydrophobicContact CB-CD 3.97Å; D57-K60 HydrophobicContact CB-CG 4.03Å; D57-K60 PolarHBondContact O-N 2.63Å; D57-K60 VanDerWaalsContact OD2-CE 3.31Å; D57-K60 WeakPolarHBondContact OD2-CE 3.12Å; D57-K60 IonicContact OD2-NZ 3.6Å; K60-I63 PolarHBondContact O-N 2.94Å; K60-Y64 WeakPolarHBondContact O-CB 3.26Å; K60-Y64 PolarHBondContact O-N 2.8Å; K60-I72 HydrophobicContact CB-CD1 4.39Å; K60-I72 WeakPolarHBondContact O-CD1 3.43Å
61R89.1Confident85.4Confident41 Ų4153.2 Ų53.216%0.15526%0.263CS..Hα-helixtrans-62.2-44.7174.5-175.7177178.9175.20.4110.9Y8 V15 A17 I22 V54 L55 D57 P58 E59 Y64 D65Y8-R61 PolarHBondContact OH-NE 3.04Å; V15-R61 PolarHBondContact O-NH2 3.38Å; A17-R61 VanDerWaalsContact O-CZ 3.31Å; A17-R61 PolarHBondContact O-NH1 3.4Å; A17-R61 PolarHBondContact O-NH2 2.97Å; I22-R61 VanDerWaalsContact CD1-NH1 3.3Å; V54-R61 PolarHBondContact O-N 3.2Å; L55-R61 HydrophobicContact CD2-CG 4.08Å; D57-R61 WeakPolarHBondContact O-CB 3Å; D57-R61 PolarHBondContact O-N 3.22Å; P58-R61 PolarHBondContact O-N 3.24Å; E59-R61 VanDerWaalsContact C-N 3.32Å; E59-R61 PolarHBondContact O-N 3.47Å; R61-Y64 PolarHBondContact O-N 3.05Å; R61-D65 WeakPolarHBondContact O-CB 3.5Å; R61-D65 PolarHBondContact O-N 3.32Å
62E86.6Confident84.6Confident135 Ų13554.7 Ų54.763%0.63127%0.271SS*.Hα-helixtrans-64.4-41.5177.6-172.1176.8-172.800112.4P58 E59 D65 T66P58-E62 PolarHBondContact O-N 2.79Å; E59-E62 PolarHBondContact O-N 3.1Å; E62-D65 PolarHBondContact O-N 2.85Å; E62-T66 WeakPolarHBondContact O-CB 3.28Å; E62-T66 PolarHBondContact O-N 2.9Å; E62-T66 PolarHBondContact O-OG1 3.43Å
63I85.9Confident83.6Confident54 Ų5461.4 Ų61.428%0.27730%0.3SS..Hα-helixtrans-61.7-46175.1-65.7165.5000110.5E59 K60 T66 R67 I72E59-I63 WeakPolarHBondContact O-CG1 3.33Å; E59-I63 PolarHBondContact O-N 2.82Å; E59-I63 VanDerWaalsContact O-N 3.08Å; K60-I63 PolarHBondContact O-N 2.94Å; I63-T66 PolarHBondContact O-N 3.26Å; I63-R67 WeakPolarHBondContact O-CB 2.83Å; I63-R67 PolarHBondContact O-N 3.36Å; I63-I72 HydrophobicContact CB-CD1 3.99Å; I63-I72 HydrophobicContact CG2-CD1 3.74Å
64Y88.1Confident82.3Confident0 Ų064.3 Ų64.30%031%0.312CS..Hα-helixtrans-62.2-44.2176.9178.4-109000111.7E4 K6 Y7 Y8 V54 L55 K60 R61 T66 G68 E69 I72E4-Y64 HydrophobicContact CB-CE2 4.42Å; E4-Y64 WeakPolarHBondContact O-CE1 3.38Å; E4-Y64 PolarHBondContact O-OH 2.86Å; K6-Y64 PolarHBondContact N-OH 2.93Å; K6-Y64 VanDerWaalsContact N-OH 3.16Å; Y7-Y64 AromaticContact CD2-CD1 3.9Å; Y7-Y64 HydrophobicContact CD2-CD1 3.9Å; Y7-Y64 AromaticContact CD2-CD2 3.48Å; Y7-Y64 HydrophobicContact CD2-CD2 3.48Å; Y7-Y64 VanDerWaalsContact CD2-CD2 3.48Å; Y7-Y64 AromaticContact CD2-CE1 3.66Å; Y7-Y64 HydrophobicContact CD2-CE1 3.66Å; Y7-Y64 AromaticContact CD2-CE2 3.23Å; Y7-Y64 HydrophobicContact CD2-CE2 3.23Å; Y7-Y64 AromaticContact CD2-CG 3.8Å; Y7-Y64 HydrophobicContact CD2-CG 3.8Å; Y7-Y64 AromaticContact CD2-CZ 3.31Å; Y7-Y64 AromaticContact CE2-CD2 3.49Å; Y7-Y64 HydrophobicContact CE2-CD2 3.49Å; Y7-Y64 VanDerWaalsContact CE2-CD2 3.49Å; Y7-Y64 AromaticContact CE2-CE2 3.41Å; Y7-Y64 HydrophobicContact CE2-CE2 3.41Å; Y7-Y64 VanDerWaalsContact CE2-CE2 3.41Å; Y7-Y64 HydrophobicContact CE2-CG 4.16Å; Y7-Y64 AromaticContact CE2-CZ 4Å; Y7-Y64 HydrophobicContact CG-CE1 4.16Å; Y7-Y64 HydrophobicContact CG-CE2 4.07Å; Y7-Y64 AromaticContact CG-CZ 3.78Å; Y7-Y64 PolarHBondContact N-OH 2.72Å; Y8-Y64 HydrophobicContact CD2-CE1 4.06Å; Y8-Y64 HydrophobicContact CE2-CD1 4.11Å; Y8-Y64 AromaticContact CE2-CE1 3.87Å; Y8-Y64 HydrophobicContact CE2-CE1 3.87Å; V54-Y64 HydrophobicContact CG1-CD2 4.5Å; V54-Y64 HydrophobicContact CG1-CG 4.09Å; L55-Y64 HydrophobicContact CD2-CD1 4.15Å; K60-Y64 WeakPolarHBondContact O-CB 3.26Å; K60-Y64 PolarHBondContact O-N 2.8Å; R61-Y64 PolarHBondContact O-N 3.05Å; Y64-T66 VanDerWaalsContact C-N 3.26Å; Y64-T66 PolarHBondContact O-N 3.02Å; Y64-G68 VanDerWaalsContact O-CA 3.29Å; Y64-G68 WeakPolarHBondContact O-CA 3.22Å; Y64-G68 PolarHBondContact O-N 3.15Å; Y64-E69 HydrophobicContact CE2-CB 4.37Å; Y64-I72 HydrophobicContact CD2-CG1 4.31Å
65D89.5Confident80.6Confident35 Ų3565.6 Ų65.619%0.18733%0.327CS..Hα-helixtrans-63.2-35.2-178.7-75.3-14.3000112V2 K3 Y8 R61 E62V2-D65 WeakPolarHBondContact CA-O 3.45Å; V2-D65 HydrophobicContact CG2-CB 3.92Å; V2-D65 WeakPolarHBondContact CG2-OD1 3.29Å; K3-D65 PolarHBondContact N-O 3.5Å; K3-D65 VanDerWaalsContact N-O 3.11Å; Y8-D65 VanDerWaalsContact CE2-OD1 3.27Å; Y8-D65 WeakPolarHBondContact CE2-OD1 3.5Å; Y8-D65 VanDerWaalsContact OH-CG 3.32Å; Y8-D65 PolarHBondContact OH-OD1 2.89Å; Y8-D65 PolarHBondContact OH-OD2 3.26Å; Y8-D65 VanDerWaalsContact OH-OD2 3.12Å; R61-D65 WeakPolarHBondContact O-CB 3.5Å; R61-D65 PolarHBondContact O-N 3.32Å; E62-D65 PolarHBondContact O-N 2.85Å
66T85.4Confident78.3Confident98 Ų9868.5 Ų68.560%0.60136%0.357SS*.Hα-helixtrans-88.2-42.5-177.1-490000113.3E62 I63 Y64E62-T66 WeakPolarHBondContact O-CB 3.28Å; E62-T66 PolarHBondContact O-N 2.9Å; E62-T66 PolarHBondContact O-OG1 3.43Å; I63-T66 PolarHBondContact O-N 3.26Å; Y64-T66 VanDerWaalsContact C-N 3.26Å; Y64-T66 PolarHBondContact O-N 3.02Å
67R82.2Confident76.3Confident150 Ų15070.9 Ų70.957%0.56637%0.371SS*.Hα-helixtrans-110.7-11.7-169.8-64.4-175.4-175171.92.7114.6K3 I63K3-R67 WeakPolarHBondContact CD-O 3.28Å; K3-R67 PolarHBondContact NZ-O 3.02Å; I63-R67 WeakPolarHBondContact O-CB 2.83Å; I63-R67 PolarHBondContact O-N 3.36Å
68G83.1Confident74Confident0 Ų077 Ų770%040%0.397CS..  trans77.6-172.9-175.900000113Y64 Q70 G71Y64-G68 VanDerWaalsContact O-CA 3.29Å; Y64-G68 WeakPolarHBondContact O-CA 3.22Å; Y64-G68 PolarHBondContact O-N 3.15Å; G68-Q70 PolarHBondContact O-N 2.75Å; G68-G71 PolarHBondContact O-N 2.88Å
69E77.8Confident71.7Confident30 Ų3078.9 Ų78.914%0.1441%0.413CS..Hα-helixtrans-56.5-35.3179.6-170.7-176.4144.400111.7E4 K6 Y64 G71 I72 K73E4-E69 WeakPolarHBondContact OE2-CB 3.36Å; E4-E69 PolarHBondContact OE2-N 3.26Å; K6-E69 WeakPolarHBondContact CD-OE2 3.4Å; K6-E69 IonicContact NZ-OE1 2.79Å; K6-E69 IonicContact NZ-OE2 2.71Å; K6-E69 PolarHBondContact NZ-OE2 2.79Å; Y64-E69 HydrophobicContact CE2-CB 4.37Å; E69-G71 VanDerWaalsContact C-N 3.29Å; E69-G71 PolarHBondContact O-N 2.84Å; E69-I72 PolarHBondContact O-N 3.23Å; E69-K73 PolarHBondContact O-N 2.86Å; E69-K73 VanDerWaalsContact O-N 3.13Å; E69-K73 WeakPolarHBondContact OE1-CE 3.28Å; E69-K73 IonicContact OE1-NZ 3.85Å; E69-K73 PolarHBondContact OE1-NZ 3.34Å
70Q75.6Confident69.4Low109 Ų10975.3 Ų75.351%0.50942%0.415SS..Hα-helixtrans-63-34.4177.2-165.6167.27.600112.4G68 I72 K73 E74G68-Q70 PolarHBondContact O-N 2.75Å; Q70-I72 VanDerWaalsContact C-N 3.31Å; Q70-I72 PolarHBondContact O-N 3.04Å; Q70-K73 PolarHBondContact O-N 3.44Å; Q70-E74 HydrophobicContact CG-CG 4.14Å; Q70-E74 VanDerWaalsContact CG-OE1 3.24Å; Q70-E74 WeakPolarHBondContact CG-OE1 3.1Å; Q70-E74 PolarHBondContact NE2-OE1 3.36Å; Q70-E74 WeakPolarHBondContact O-CB 3.37Å; Q70-E74 WeakPolarHBondContact O-CG 3.02Å; Q70-E74 PolarHBondContact O-N 2.8Å
71G73Confident67.1Low5 Ų575.2 Ų75.25%0.05243%0.432CS..Hα-helixtrans-68.4-28176.300000114.4G68 E69 G75G68-G71 PolarHBondContact O-N 2.88Å; E69-G71 VanDerWaalsContact C-N 3.29Å; E69-G71 PolarHBondContact O-N 2.84Å; G71-G75 VanDerWaalsContact O-CA 3.29Å; G71-G75 WeakPolarHBondContact O-CA 3.44Å; G71-G75 PolarHBondContact O-N 3.15Å
72I73Confident64.8Low32 Ų3281.7 Ų81.716%0.16447%0.467CS..Hα-helixtrans-78-35173.8-61.3-65.4000110.7V54 K60 I63 Y64 E69 Q70V54-I72 HydrophobicContact CG1-CD1 3.94Å; V54-I72 HydrophobicContact CG1-CG1 4.06Å; V54-I72 HydrophobicContact CG2-CG2 4.08Å; K60-I72 HydrophobicContact CB-CD1 4.39Å; K60-I72 WeakPolarHBondContact O-CD1 3.43Å; I63-I72 HydrophobicContact CB-CD1 3.99Å; I63-I72 HydrophobicContact CG2-CD1 3.74Å; Y64-I72 HydrophobicContact CD2-CG1 4.31Å; E69-I72 PolarHBondContact O-N 3.23Å; Q70-I72 VanDerWaalsContact C-N 3.31Å; Q70-I72 PolarHBondContact O-N 3.04Å
73K69.9Low63.1Low145 Ų14577.6 Ų77.663%0.6346%0.456SS*.Hα-helixtrans-73.4-41.4176.7-76.7174.5169.3165.40113.2E69 Q70E69-K73 PolarHBondContact O-N 2.86Å; E69-K73 VanDerWaalsContact O-N 3.13Å; E69-K73 WeakPolarHBondContact OE1-CE 3.28Å; E69-K73 IonicContact OE1-NZ 3.85Å; E69-K73 PolarHBondContact OE1-NZ 3.34Å; Q70-K73 PolarHBondContact O-N 3.44Å
74E59.9Low61.8Low138 Ų13879.6 Ų79.665%0.64547%0.467SS*.Hα-helixtrans-87.1-19-178.4-68.6175.2179.100112.9Q70 G76Q70-E74 HydrophobicContact CG-CG 4.14Å; Q70-E74 VanDerWaalsContact CG-OE1 3.24Å; Q70-E74 WeakPolarHBondContact CG-OE1 3.1Å; Q70-E74 PolarHBondContact NE2-OE1 3.36Å; Q70-E74 WeakPolarHBondContact O-CB 3.37Å; Q70-E74 WeakPolarHBondContact O-CG 3.02Å; Q70-E74 PolarHBondContact O-N 2.8Å; E74-G76 PolarHBondContact O-N 3.09Å
75G52.8Low60.4Low35 Ų3581 Ų8136%0.36148%0.476SS..SBendtrans-68.58.2-172.800000116.2G71 V77G71-G75 VanDerWaalsContact O-CA 3.29Å; G71-G75 WeakPolarHBondContact O-CA 3.44Å; G71-G75 PolarHBondContact O-N 3.15Å; G75-V77 PolarHBondContact O-N 3.4Å
76G43Very low59.1Low62 Ų6282.8 Ų82.864%0.63948%0.484SS*.  trans56.916.8173.200000114.1E74 E78E74-G76 PolarHBondContact O-N 3.09Å; G76-E78 PolarHBondContact O-N 3.25Å
77V42.7Very low58Low79 Ų7982.2 Ų82.248%0.47948%0.478SS..  trans-71.380.1160.1-175.50000103.6G75 S79G75-V77 PolarHBondContact O-N 3.4Å; V77-S79 PolarHBondContact O-N 3.35Å
78E37.1Very low57Low178 Ų17876.5 Ų76.583%0.83246%0.458SS*.  trans-42.2117.6176.8-78.9-177.1151.100106.6G76 G80G76-E78 PolarHBondContact O-N 3.25Å; E78-G80 PolarHBondContact O-N 3.18Å
79S40.2Very low55.9Low119 Ų11978.7 Ų78.783%0.83247%0.468SS*.  trans-43.668.9156.1-174.90000109.6V77 G81V77-S79 PolarHBondContact O-N 3.35Å; S79-G81 VanDerWaalsContact C-N 3.31Å; S79-G81 PolarHBondContact O-N 3.31Å
80G37Very low55.3Low72 Ų7283 Ų8374%0.74249%0.488SS*.  trans-68.893.8177.100000106.9E78E78-G80 PolarHBondContact O-N 3.18Å
81G38.1Very low54.6Low62 Ų6285.6 Ų85.664%0.63950%0.502SS*.SBendtrans49.683.516600000113.2S79 A83S79-G81 VanDerWaalsContact C-N 3.31Å; S79-G81 PolarHBondContact O-N 3.31Å; G81-A83 PolarHBondContact O-N 2.6Å
82M40.2Very low53.7Low178 Ų17890.6 Ų90.688%0.87752%0.522SS*.  trans3.173149.9-169.6148.7175.200113.2D84M82-D84 PolarHBondContact O-N 2.93Å
83A51Low53Low49 Ų4991.8 Ų91.841%0.40553%0.526SS..  trans-71.7117.3169.700000103.1G81 I88G81-A83 PolarHBondContact O-N 2.6Å; A83-I88 HydrophobicContact CB-CD1 4Å; A83-I88 HydrophobicContact CB-CG1 3.81Å
84D57.8Low52.1Low96 Ų9687.1 Ų87.151%0.51352%0.519SS..  trans-47.1134.3175.5-115.2-47.8000107.1M82 M86 D87 I88M82-D84 PolarHBondContact O-N 2.93Å; D84-M86 HydrophobicContact CB-CB 4.43Å; D84-M86 CarbonylContact O-C 3.59Å; D84-M86 PolarHBondContact O-N 3.28Å; D84-D87 HydrophobicContact CB-CB 4.36Å; D84-D87 WeakPolarHBondContact O-CA 3.17Å; D84-D87 WeakPolarHBondContact O-CB 3.19Å; D84-D87 PolarHBondContact O-N 3.22Å; D84-I88 PolarHBondContact O-N 2.88Å
85P58.8Low51.4Low28 Ų2882.7 Ų82.718%0.18251%0.511CS..Hα-helixtrans-49.2-28176.2-28.734000112.2F45 K46 F89F45-P85 HydrophobicContact CD1-CB 3.75Å; F45-P85 HydrophobicContact CE1-CB 3.57Å; K46-P85 HydrophobicContact CG-CG 3.93Å; P85-F89 PolarHBondContact O-N 3.18Å; P85-F89 VanDerWaalsContact O-N 3.12Å
86M63.6Low51.2Low73 Ų7384.5 Ų84.536%0.3653%0.53SS..Hα-helixtrans-64.7-41.1168.4-93.6166.5163.800114.7P35 D84 F89 Q90P35-M86 HydrophobicContact CB-CE 3.78Å; P35-M86 HydrophobicContact CG-CE 3.66Å; D84-M86 HydrophobicContact CB-CB 4.43Å; D84-M86 CarbonylContact O-C 3.59Å; D84-M86 PolarHBondContact O-N 3.28Å; M86-F89 CarbonylContact O-C 3.49Å; M86-F89 PolarHBondContact O-N 2.85Å; M86-Q90 WeakPolarHBondContact O-CB 3.35Å; M86-Q90 VanDerWaalsContact O-CG 3.31Å; M86-Q90 WeakPolarHBondContact O-CG 3.49Å; M86-Q90 PolarHBondContact O-N 2.97Å
87D62Low51.1Low87 Ų8792.8 Ų92.847%0.46554%0.542SS..Hα-helixtrans-68.3-36.5176.7-80.7-14.9000112.3D84 Q90 M91D84-D87 HydrophobicContact CB-CB 4.36Å; D84-D87 WeakPolarHBondContact O-CA 3.17Å; D84-D87 WeakPolarHBondContact O-CB 3.19Å; D84-D87 PolarHBondContact O-N 3.22Å; D87-Q90 PolarHBondContact O-N 2.77Å; D87-M91 VanDerWaalsContact O-CB 3.28Å; D87-M91 WeakPolarHBondContact O-CB 3.47Å; D87-M91 PolarHBondContact O-N 2.86Å
88I60.5Low51.3Low30 Ų3094.6 Ų94.615%0.15456%0.558CS.*Hα-helixtrans-66.4-41.1172.8-65157.3000110.1M53 A83 D84 M91 F92M53-I88 HydrophobicContact CE-CD1 4.03Å; M53-I88 HydrophobicContact CG-CD1 4.18Å; M53-I88 HydrophobicContact SD-CD1 3.36Å; M53-I88 WeakPolarHBondContact SD-CD1 3.48Å; M53-I88 HydrophobicContact SD-CG1 4.39Å; A83-I88 HydrophobicContact CB-CD1 4Å; A83-I88 HydrophobicContact CB-CG1 3.81Å; D84-I88 PolarHBondContact O-N 2.88Å; I88-M91 PolarHBondContact O-N 3.35Å; I88-F92 WeakPolarHBondContact O-CB 3.27Å; I88-F92 PolarHBondContact O-N 3.48Å
89F60.7Low51.9Low45 Ų4595.1 Ų95.120%0.19755%0.552CS.*Hα-helixtrans-63.4-42172-175-95.6000111.6Y26 A30 F45 P85 M86 F93 G94Y26-F89 HydrophobicContact CE1-CD2 4.48Å; A30-F89 HydrophobicContact CB-CD2 4.23Å; A30-F89 HydrophobicContact CB-CE2 4.07Å; F45-F89 HydrophobicContact CZ-CB 4.37Å; P85-F89 PolarHBondContact O-N 3.18Å; P85-F89 VanDerWaalsContact O-N 3.12Å; M86-F89 CarbonylContact O-C 3.49Å; M86-F89 PolarHBondContact O-N 2.85Å; F89-F93 HydrophobicContact CD1-CB 4.37Å; F89-F93 HydrophobicContact CD2-CB 3.89Å; F89-F93 AromaticContact CD2-CD2 3.84Å; F89-F93 HydrophobicContact CD2-CD2 3.84Å; F89-F93 HydrophobicContact CD2-CG 4.02Å; F89-F93 HydrophobicContact CE1-CB 4.2Å; F89-F93 HydrophobicContact CE2-CB 3.69Å; F89-F93 HydrophobicContact CE2-CD2 4.1Å; F89-F93 AromaticContact CE2-CG 3.86Å; F89-F93 HydrophobicContact CE2-CG 3.86Å; F89-F93 HydrophobicContact CG-CB 4.23Å; F89-F93 HydrophobicContact CZ-CB 3.86Å; F89-F93 HydrophobicContact CZ-CG 4.46Å; F89-F93 CarbonylContact O-C 3.58Å; F89-F93 WeakPolarHBondContact O-CA 2.96Å; F89-F93 WeakPolarHBondContact O-CB 3.29Å; F89-F93 PolarHBondContact O-N 2.84Å; F89-G94 PolarHBondContact O-N 3.41Å
90Q64Low52.6Low120 Ų12091.8 Ų91.856%0.56154%0.537SS*.Hα-helixtrans-68-36.9176.9-74.2-176.532.700112.7M86 D87 G94M86-Q90 WeakPolarHBondContact O-CB 3.35Å; M86-Q90 VanDerWaalsContact O-CG 3.31Å; M86-Q90 WeakPolarHBondContact O-CG 3.49Å; M86-Q90 PolarHBondContact O-N 2.97Å; D87-Q90 PolarHBondContact O-N 2.77Å; Q90-G94 CarbonylContact O-C 3.44Å; Q90-G94 WeakPolarHBondContact O-CA 3.14Å; Q90-G94 PolarHBondContact O-N 2.78Å
91M61.4Low53.6Low164 Ų16492.1 Ų92.181%0.80853%0.525SS*.Hα-helixtrans-70.4-39.3178.1-176.1178.7-80.400112D87 I88D87-M91 VanDerWaalsContact O-CB 3.28Å; D87-M91 WeakPolarHBondContact O-CB 3.47Å; D87-M91 PolarHBondContact O-N 2.86Å; I88-M91 PolarHBondContact O-N 3.35Å
92F55.1Low55.2Low110 Ų11096.6 Ų96.648%0.48252%0.523SS..Hα-helixtrans-98-27.4-173.4-134.3-91.5000114F52 I88F52-F92 HydrophobicContact CE1-CD1 4.33Å; F52-F92 HydrophobicContact CE1-CE1 4.47Å; F52-F92 HydrophobicContact CZ-CD1 4.34Å; F52-F92 HydrophobicContact CZ-CE1 4.16Å; I88-F92 WeakPolarHBondContact O-CB 3.27Å; I88-F92 PolarHBondContact O-N 3.48Å
93F58.1Low57Low57 Ų5794.3 Ų94.325%0.2551%0.505CS..THydrogen-bonded Turntrans-122.3-20.5-177.9-67.5-81.3000114.1Y26 R27 F89 G95Y26-F93 HydrophobicContact CD1-CD2 4.35Å; Y26-F93 AromaticContact CD1-CE2 3.41Å; Y26-F93 HydrophobicContact CD1-CE2 3.41Å; Y26-F93 VanDerWaalsContact CD1-CE2 3.41Å; Y26-F93 AromaticContact CD1-CZ 3.71Å; Y26-F93 HydrophobicContact CD1-CZ 3.71Å; Y26-F93 AromaticContact CE1-CD2 3.79Å; Y26-F93 HydrophobicContact CE1-CD2 3.79Å; Y26-F93 AromaticContact CE1-CE2 3.23Å; Y26-F93 HydrophobicContact CE1-CE2 3.23Å; Y26-F93 HydrophobicContact CE1-CZ 4.01Å; R27-F93 HydrophobicContact CG-CD1 4.01Å; R27-F93 HydrophobicContact CG-CE1 3.14Å; R27-F93 HydrophobicContact CG-CZ 3.61Å; F89-F93 HydrophobicContact CD1-CB 4.37Å; F89-F93 HydrophobicContact CD2-CB 3.89Å; F89-F93 AromaticContact CD2-CD2 3.84Å; F89-F93 HydrophobicContact CD2-CD2 3.84Å; F89-F93 HydrophobicContact CD2-CG 4.02Å; F89-F93 HydrophobicContact CE1-CB 4.2Å; F89-F93 HydrophobicContact CE2-CB 3.69Å; F89-F93 HydrophobicContact CE2-CD2 4.1Å; F89-F93 AromaticContact CE2-CG 3.86Å; F89-F93 HydrophobicContact CE2-CG 3.86Å; F89-F93 HydrophobicContact CG-CB 4.23Å; F89-F93 HydrophobicContact CZ-CB 3.86Å; F89-F93 HydrophobicContact CZ-CG 4.46Å; F89-F93 CarbonylContact O-C 3.58Å; F89-F93 WeakPolarHBondContact O-CA 2.96Å; F89-F93 WeakPolarHBondContact O-CB 3.29Å; F89-F93 PolarHBondContact O-N 2.84Å; F93-G95 PolarHBondContact O-N 3.09Å
94G50.8Low58.4Low47 Ų4792.6 Ų92.649%0.48549%0.492SS..SBendtrans-77.622158.300000112.4F89 Q90 G96F89-G94 PolarHBondContact O-N 3.41Å; Q90-G94 CarbonylContact O-C 3.44Å; Q90-G94 WeakPolarHBondContact O-CA 3.14Å; Q90-G94 PolarHBondContact O-N 2.78Å; G94-G96 PolarHBondContact O-N 2.87Å
95G44.8Very low59.7Low46 Ų4697.2 Ų97.247%0.47451%0.507SS..THydrogen-bonded Turntrans-27.9129.117000000111F93 R97F93-G95 PolarHBondContact O-N 3.09Å; G95-R97 PolarHBondContact O-N 3.07Å
96G47.7Very low61.2Low73 Ų7399.6 Ų99.675%0.75352%0.518SS*.THydrogen-bonded Turntrans-26.498.1-175.400000111.4G94 S98G94-G96 PolarHBondContact O-N 2.87Å; G96-S98 PolarHBondContact O-N 3.27Å
97R41.2Very low62.4Low236 Ų23697.5 Ų97.589%0.89151%0.511SS*.  trans-50.8101.2145.3-79.1-177.2171-175.4-2.2102G95 R99G95-R97 PolarHBondContact O-N 3.07Å; R97-R99 PolarHBondContact O-N 3Å
98S47.4Very low63.9Low116 Ų11697.9 Ų97.981%0.81152%0.516SS*.  trans-44.798.4152.5-73.40000101.8G96 G100G96-S98 PolarHBondContact O-N 3.27Å; S98-G100 PolarHBondContact O-N 3.27Å
99R49.6Very low65.4Low190 Ų19099.7 Ų99.772%0.71752%0.524SS*.  trans-49.8109.4163.8-94.8-179.4168.3163.9-2.799.3R97R97-R99 PolarHBondContact O-N 3Å
100G55.4Low67Low49 Ų49104.8 Ų104.851%0.50555%0.548SS..  trans-43.9146.6169.200000106.5S98 R102S98-G100 PolarHBondContact O-N 3.27Å; G100-R102 PolarHBondContact O-N 2.77Å
101P57.9Low68.4Low78 Ų7899.7 Ų99.751%0.50653%0.525SS..SBendtrans-33.1118.6-177.812-28.9000109R103 E235P101-R103 PolarHBondContact O-N 2.82Å; P101-E235 HydrophobicContact CB-CG 3.93Å; P101-E235 WeakPolarHBondContact CB-OE1 3.19Å; P101-E235 HydrophobicContact CG-CG 4.23Å; P101-E235 WeakPolarHBondContact CG-OE1 3.49Å; P101-E235 WeakPolarHBondContact CG-OE2 3.46Å
102R71.1Confident70Confident157 Ų15794.7 Ų94.759%0.59251%0.506SS*.PPolyproline II helixtrans-54.4116.7-165.9-66.1-176.3-178.6-169.91106.1G100 L234 E235G100-R102 PolarHBondContact O-N 2.77Å; R102-L234 HydrophobicContact CB-CD2 3.4Å; R102-L234 VanDerWaalsContact CB-CD2 3.4Å; R102-L234 HydrophobicContact CB-CG 4.06Å; R102-L234 CarbonylContact O-C 3.55Å; R102-L234 WeakPolarHBondContact O-CA 3.36Å; R102-L234 WeakPolarHBondContact O-CB 3.48Å; R102-L234 VanDerWaalsContact O-CD2 3.31Å; R102-L234 WeakPolarHBondContact O-CD2 3.46Å; R102-L234 WeakPolarHBondContact O-CG 3.44Å; R102-E235 PolarHBondContact O-N 3.38Å
103R78.4Confident71.9Confident130 Ų13089.5 Ų89.549%0.49148%0.483SS..BIsolated β-bridgetrans-79.2141178-69-176.670-165.1-0.1108.8P101 E235 D238P101-R103 PolarHBondContact O-N 2.82Å; R103-E235 CarbonylContact C-O 3.6Å; R103-E235 HydrophobicContact CG-CB 4.1Å; R103-D238 IonicContact NH2-OD1 2.68Å; R103-D238 PolarHBondContact NH2-OD1 3.07Å; R103-D238 VanDerWaalsContact NH2-OD1 3.13Å; R103-D238 IonicContact NH2-OD2 2.64Å; R103-D238 PolarHBondContact NH2-OD2 2.85Å
104G79.6Confident73.7Confident13 Ų1389 Ų8913%0.13449%0.485CS..PPolyproline II helixtrans-62.8167.5169.900000110.8E235G104-E235 PolarHBondContact N-O 2.96Å
105K86.2Confident75.7Confident192 Ų19286.8 Ų86.884%0.83546%0.462SS*.PPolyproline II helixtrans-73.9139.7176.2-63.3-179.8-178.6-179.90109.6
106D90.4Very high78.1Confident78 Ų7888.4 Ų88.442%0.41746%0.457SS..PPolyproline II helixtrans-67145.6173.6-61.6-19.5000110.7G237 D238 I240D106-G237 WeakPolarHBondContact OD1-CA 3.2Å; D106-D238 CarbonylContact C-O 3.56Å; D106-D238 VanDerWaalsContact CA-O 3.3Å; D106-D238 WeakPolarHBondContact CA-O 3.46Å; D106-D238 WeakPolarHBondContact CB-O 3.17Å; D106-D238 PolarHBondContact OD1-N 3.25Å; D106-I240 HydrophobicContact CB-CD1 4.06Å; D106-I240 HydrophobicContact CB-CG1 4.5Å
107C88.7Confident80.3Confident29 Ų2986.7 Ų86.720%0.19643%0.43CS..EExtended strand (participates in β ladder)trans-101122.7177.3-63.50000109.2D238 L239 I240C107-D238 PolarHBondContact N-O 3.43Å; C107-L239 HydrophobicContact CB-CD1 4.14Å; C107-I240 PolarHBondContact O-N 2.84Å
108V92.3Very high82.8Confident96 Ų9675.6 Ų75.658%0.58239%0.388SS*.EExtended strand (participates in β ladder)trans-102.7124.5176.8-174.40000109.7I240V108-I240 CarbonylContact C-O 3.57Å; V108-I240 VanDerWaalsContact CA-O 3.29Å; V108-I240 WeakPolarHBondContact CA-O 3.33Å; V108-I240 HydrophobicContact CG2-CB 4.36Å
109H92.2Very high85.1Confident68 Ų6870.6 Ų70.632%0.31535%0.351SS..EExtended strand (participates in β ladder)trans-119.2135.8173.6-86.1-82.4000110.3L126 L239 I240 I241 T242H109-L126 HydrophobicContact CB-CD2 4.21Å; H109-L239 VanDerWaalsContact CD2-CD1 3.49Å; H109-L239 WeakPolarHBondContact CD2-CD1 3.3Å; H109-I240 PolarHBondContact N-O 2.87Å; H109-I241 HydrophobicContact CB-CG1 4.3Å; H109-I241 CarbonylContact O-C 3.56Å; H109-I241 VanDerWaalsContact O-CA 3.29Å; H109-I241 WeakPolarHBondContact O-CA 3.47Å; H109-T242 PolarHBondContact O-N 3.3Å
110Q94Very high87.1Confident151 Ų15164.7 Ų64.771%0.70633%0.334SS*.EExtended strand (participates in β ladder)trans-91.2128.2170.8-71.7176.3-29.400109.2T242Q110-T242 WeakPolarHBondContact CA-O 3.5Å
111L94.7Very high88.9Confident14 Ų1463.7 Ų63.77%0.07332%0.324CS..EExtended strand (participates in β ladder)trans-111.2110.6176179.666.7000108.5V113 R124 L126 V210 I212 I241 T242 L243 D244L111-V113 HydrophobicContact CD2-CG2 4.2Å; L111-V113 HydrophobicContact CG-CG2 4.01Å; L111-V113 WeakPolarHBondContact O-CG2 3.18Å; L111-V113 PolarHBondContact O-N 2.89Å; L111-R124 HydrophobicContact CD2-CB 4.06Å; L111-R124 HydrophobicContact CD2-CG 4.44Å; L111-L126 HydrophobicContact CD1-CD1 4.31Å; L111-V210 HydrophobicContact CD2-CB 4.16Å; L111-V210 HydrophobicContact CD2-CG1 3.94Å; L111-I212 HydrophobicContact CD2-CD1 4.15Å; L111-I241 HydrophobicContact CB-CG2 3.68Å; L111-I241 HydrophobicContact CD2-CG2 4.21Å; L111-T242 PolarHBondContact N-O 3.01Å; L111-L243 HydrophobicContact CB-CD2 4.4Å; L111-L243 HydrophobicContact CD2-CD2 4.08Å; L111-D244 PolarHBondContact O-N 2.73Å
112S95.1Very high90.6Very high59 Ų5961.5 Ų61.541%0.41331%0.31SS..EExtended strand (participates in β ladder)trans-69.4121.2173.6-57.90000110.4D244 Q246S112-D244 CarbonylContact C-O 3.55Å; S112-D244 WeakPolarHBondContact CA-O 3.32Å; S112-Q246 VanDerWaalsContact CB-NE2 3.34Å; S112-Q246 PolarHBondContact OG-NE2 2.83Å
113V95Very high91.7Very high0 Ų058.4 Ų58.40%031%0.308CS..EExtended strand (participates in β ladder)trans-124.2139.7-176.8-1750000110L111 E117 L118 I212 L243 D244 Q246L111-V113 HydrophobicContact CD2-CG2 4.2Å; L111-V113 HydrophobicContact CG-CG2 4.01Å; L111-V113 WeakPolarHBondContact O-CG2 3.18Å; L111-V113 PolarHBondContact O-N 2.89Å; V113-E117 HydrophobicContact CG1-CB 3.59Å; V113-E117 WeakPolarHBondContact CG1-OE2 3.3Å; V113-L118 HydrophobicContact CB-CD2 4.48Å; V113-L118 HydrophobicContact CB-CG 4.45Å; V113-L118 HydrophobicContact CG1-CD1 4.38Å; V113-L118 HydrophobicContact CG1-CD2 3.85Å; V113-L118 HydrophobicContact CG1-CG 3.7Å; V113-I212 HydrophobicContact CB-CD1 4.4Å; V113-I212 HydrophobicContact CG1-CD1 3.79Å; V113-I212 HydrophobicContact CG1-CG2 4.24Å; V113-I212 HydrophobicContact CG2-CD1 3.6Å; V113-L243 HydrophobicContact CG2-CD2 3.95Å; V113-D244 PolarHBondContact N-O 3.11Å; V113-Q246 PolarHBondContact O-N 2.97Å
114T95.2Very high92.4Very high46 Ų4656.4 Ų56.428%0.28230%0.301SS..  trans-82.3155.3175.7650000111.3E116 E117 L118T114-E116 PolarHBondContact O-N 2.9Å; T114-E117 PolarHBondContact N-OE2 2.82Å; T114-E117 WeakPolarHBondContact O-CB 3.49Å; T114-E117 PolarHBondContact O-N 3.11Å; T114-E117 VanDerWaalsContact O-N 3.09Å; T114-E117 VanDerWaalsContact OG1-CG 3.3Å; T114-E117 WeakPolarHBondContact OG1-CG 3.4Å; T114-E117 PolarHBondContact OG1-N 3.32Å; T114-L118 PolarHBondContact O-N 3.33Å; T114-L118 VanDerWaalsContact O-N 3.15Å
115L94Very high93.1Very high1 Ų162.6 Ų62.61%0.00532%0.324CS..Hα-helixtrans-59.9-33.1177.4-170.364.7000112.8L118 Y119 E245 H248 F251 R253 L258 L280 M308L115-L118 PolarHBondContact O-N 2.81Å; L115-Y119 WeakPolarHBondContact O-CB 3.42Å; L115-Y119 PolarHBondContact O-N 2.86Å; L115-E245 WeakPolarHBondContact CD1-OE1 3.27Å; L115-H248 HydrophobicContact CB-CB 4.12Å; L115-H248 HydrophobicContact CD2-CB 4.02Å; L115-F251 HydrophobicContact CD2-CB 3.7Å; L115-R253 HydrophobicContact CD1-CB 3.99Å; L115-R253 HydrophobicContact CD1-CG 4.24Å; L115-L258 HydrophobicContact CD1-CD2 4.34Å; L115-L258 HydrophobicContact CD2-CD2 3.84Å; L115-L258 HydrophobicContact CG-CD2 4.49Å; L115-L280 HydrophobicContact CB-CD2 4.44Å; L115-L280 HydrophobicContact CD2-CD1 3.94Å; L115-L280 HydrophobicContact CD2-CD2 4.18Å; L115-L280 HydrophobicContact CG-CD1 3.76Å; L115-L280 HydrophobicContact CG-CD2 4.21Å; L115-M308 HydrophobicContact CD1-CE 3.92Å; L115-M308 HydrophobicContact CD1-SD 3.66Å; L115-M308 HydrophobicContact CG-SD 4.22Å
116E93.8Very high93.4Very high80 Ų8055 Ų5537%0.37429%0.292SS..Hα-helixtrans-63.3-39.8174.9-65.4172.3172.700112.1T114 Y119 N120 H248 L280T114-E116 PolarHBondContact O-N 2.9Å; E116-Y119 PolarHBondContact O-N 3.15Å; E116-N120 WeakPolarHBondContact O-CB 3.49Å; E116-N120 PolarHBondContact O-N 3.49Å; E116-N120 PolarHBondContact O-ND2 2.9Å; E116-H248 IonicContact OE1-NE2 3.86Å; E116-L280 HydrophobicContact CG-CD2 3.66Å
117E94.3Very high93.4Very high38 Ų3853.4 Ų53.418%0.17829%0.294CS..Hα-helixtrans-68.3-38.4176.7-74.7172.4174.800111.8V113 T114 Y119 G121 R124V113-E117 HydrophobicContact CG1-CB 3.59Å; V113-E117 WeakPolarHBondContact CG1-OE2 3.3Å; T114-E117 PolarHBondContact N-OE2 2.82Å; T114-E117 WeakPolarHBondContact O-CB 3.49Å; T114-E117 PolarHBondContact O-N 3.11Å; T114-E117 VanDerWaalsContact O-N 3.09Å; T114-E117 VanDerWaalsContact OG1-CG 3.3Å; T114-E117 WeakPolarHBondContact OG1-CG 3.4Å; T114-E117 PolarHBondContact OG1-N 3.32Å; E117-Y119 VanDerWaalsContact C-N 3.26Å; E117-Y119 PolarHBondContact O-N 3.45Å; E117-G121 CarbonylContact O-C 3.52Å; E117-G121 WeakPolarHBondContact O-CA 3.49Å; E117-G121 PolarHBondContact O-N 3.31Å; E117-R124 IonicContact OE1-CZ 3.4Å; E117-R124 IonicContact OE1-NE 3.13Å; E117-R124 PolarHBondContact OE1-NE 2.86Å; E117-R124 IonicContact OE1-NH2 3.01Å; E117-R124 PolarHBondContact OE1-NH2 2.84Å; E117-R124 IonicContact OE2-CZ 2.76Å; E117-R124 IonicContact OE2-NE 3.1Å; E117-R124 PolarHBondContact OE2-NE 3.06Å; E117-R124 IonicContact OE2-NH2 3.77Å; E117-R124 PolarHBondContact OE2-NH2 3.45Å
118L94.1Very high93.6Very high3 Ų352.2 Ų52.22%0.01629%0.286CS..Hα-helixtrans-68.3-26.8174.3-64.3168.1000112.2V113 T114 L115 I212 G215 M216 L243 E245 M308V113-L118 HydrophobicContact CB-CD2 4.48Å; V113-L118 HydrophobicContact CB-CG 4.45Å; V113-L118 HydrophobicContact CG1-CD1 4.38Å; V113-L118 HydrophobicContact CG1-CD2 3.85Å; V113-L118 HydrophobicContact CG1-CG 3.7Å; T114-L118 PolarHBondContact O-N 3.33Å; T114-L118 VanDerWaalsContact O-N 3.15Å; L115-L118 PolarHBondContact O-N 2.81Å; L118-I212 HydrophobicContact CD2-CG2 3.83Å; L118-G215 PolarHBondContact O-N 3.41Å; L118-M216 HydrophobicContact CD2-CB 3.99Å; L118-L243 HydrophobicContact CD2-CD1 4.33Å; L118-E245 HydrophobicContact CD1-CB 4.12Å; L118-E245 HydrophobicContact CD1-CG 3.83Å; L118-M308 HydrophobicContact CB-CE 3.68Å
119Y94.4Very high93.5Very high10 Ų1051.2 Ų51.24%0.03928%0.281CS..Hα-helixtrans-81.5-52.3178.5-170.7-82.2000112.5L115 E116 E117 L280 D281 G307 M308 K317L115-Y119 WeakPolarHBondContact O-CB 3.42Å; L115-Y119 PolarHBondContact O-N 2.86Å; E116-Y119 PolarHBondContact O-N 3.15Å; E117-Y119 VanDerWaalsContact C-N 3.26Å; E117-Y119 PolarHBondContact O-N 3.45Å; Y119-L280 HydrophobicContact CD1-CB 3.96Å; Y119-L280 HydrophobicContact CD2-CB 3.9Å; Y119-L280 HydrophobicContact CD2-CD1 3.6Å; Y119-L280 HydrophobicContact CD2-CG 4.37Å; Y119-L280 HydrophobicContact CE2-CB 4.39Å; Y119-L280 HydrophobicContact CE2-CD1 4.37Å; Y119-L280 HydrophobicContact CG-CB 3.64Å; Y119-L280 HydrophobicContact CG-CD1 3.95Å; Y119-L280 HydrophobicContact CG-CG 4.47Å; Y119-D281 HydrophobicContact CD1-CB 4.25Å; Y119-D281 HydrophobicContact CE1-CB 3.74Å; Y119-G307 VanDerWaalsContact CE2-O 3.26Å; Y119-G307 WeakPolarHBondContact CE2-O 3.15Å; Y119-M308 HydrophobicContact CD2-SD 3.89Å; Y119-K317 PolarHBondContact OH-NZ 3.48Å
120N92.7Very high93.4Very high67 Ų6749.4 Ų49.436%0.35827%0.271SS..Hα-helixtrans-84.2-18.7-175.2-67.6-45.5000113E116 K214 L280E116-N120 WeakPolarHBondContact O-CB 3.49Å; E116-N120 PolarHBondContact O-N 3.49Å; E116-N120 PolarHBondContact O-ND2 2.9Å; N120-K214 WeakPolarHBondContact O-CE 3.28Å; N120-L280 PolarHBondContact ND2-O 3.47Å
121G92.8Very high93.2Very high28 Ų2845.4 Ų45.429%0.28925%0.251SS..  trans73.7141.2-166.900000110.7E117 I212E117-G121 CarbonylContact O-C 3.52Å; E117-G121 WeakPolarHBondContact O-CA 3.49Å; E117-G121 PolarHBondContact O-N 3.31Å; G121-I212 CarbonylContact C-O 3.53Å; G121-I212 WeakPolarHBondContact CA-O 3.48Å
122S93.4Very high93.1Very high31 Ų3146.1 Ų46.122%0.21726%0.256CS..EExtended strand (participates in β ladder)trans-150.4165.9179.272.50000110.7I212S122-I212 PolarHBondContact N-O 3.16Å; S122-I212 WeakPolarHBondContact O-CA 3.41Å; S122-I212 WeakPolarHBondContact O-CB 3.18Å; S122-I212 PolarHBondContact O-N 3.4Å
123V94.9Very high92.9Very high92 Ų9246.5 Ų46.556%0.55825%0.253SS*.EExtended strand (participates in β ladder)trans-115.7111.7170.7-178.60000107.4E209V123-E209 HydrophobicContact CG1-CB 3.97Å
124R93.2Very high92.6Very high88 Ų8846.5 Ų46.533%0.33225%0.253SS..EExtended strand (participates in β ladder)trans-94135.4178.8-79.8-76.3-166.1155.7-0.1109.9L111 E117 V210 I212L111-R124 HydrophobicContact CD2-CB 4.06Å; L111-R124 HydrophobicContact CD2-CG 4.44Å; E117-R124 IonicContact OE1-CZ 3.4Å; E117-R124 IonicContact OE1-NE 3.13Å; E117-R124 PolarHBondContact OE1-NE 2.86Å; E117-R124 IonicContact OE1-NH2 3.01Å; E117-R124 PolarHBondContact OE1-NH2 2.84Å; E117-R124 IonicContact OE2-CZ 2.76Å; E117-R124 IonicContact OE2-NE 3.1Å; E117-R124 PolarHBondContact OE2-NE 3.06Å; E117-R124 IonicContact OE2-NH2 3.77Å; E117-R124 PolarHBondContact OE2-NH2 3.45Å; R124-V210 PolarHBondContact N-O 2.64Å; R124-V210 PolarHBondContact O-N 3.5Å; R124-I212 HydrophobicContact CB-CD1 4.08Å; R124-I212 HydrophobicContact CG-CD1 3.49Å; R124-I212 VanDerWaalsContact CG-CD1 3.49Å
125K93.4Very high92.4Very high144 Ų14448.7 Ų48.763%0.62626%0.263SS*.EExtended strand (participates in β ladder)trans-94.7114.7173.4-61.2-166-179.9-154.50109.4V207 E209K125-V207 HydrophobicContact CB-CG1 3.81Å; K125-V207 HydrophobicContact CD-CG1 4.38Å; K125-V207 HydrophobicContact CG-CG1 4.43Å; K125-E209 WeakPolarHBondContact CE-OE1 3.48Å; K125-E209 HydrophobicContact CG-CG 4.31Å; K125-E209 IonicContact NZ-OE1 2.85Å; K125-E209 PolarHBondContact NZ-OE1 2.7Å
126L92Very high92Very high32 Ų3255.2 Ų55.217%0.16829%0.293CS..EExtended strand (participates in β ladder)trans-107.3121178.7-176.366.6000110.1H109 L111 V128 V207 I208 V210 I241H109-L126 HydrophobicContact CB-CD2 4.21Å; L111-L126 HydrophobicContact CD1-CD1 4.31Å; L126-V128 HydrophobicContact CD2-CG2 3.72Å; L126-V128 HydrophobicContact CG-CG2 3.81Å; L126-V128 PolarHBondContact O-N 3.01Å; L126-V207 WeakPolarHBondContact O-CA 3.12Å; L126-I208 PolarHBondContact N-O 2.8Å; L126-I208 PolarHBondContact O-N 2.98Å; L126-V210 HydrophobicContact CB-CG2 4.15Å; L126-I241 HydrophobicContact CD2-CD1 3.97Å; L126-I241 HydrophobicContact CD2-CG1 4.07Å
127G92.1Very high91.7Very high44 Ų4451.6 Ų51.645%0.45428%0.277SS..EExtended strand (participates in β ladder)trans-80.5100.9171.800000110.9
128V91.3Very high91.2Very high4 Ų456.7 Ų56.72%0.02430%0.3CS..EExtended strand (participates in β ladder)trans-97.4123.5179.1-179.90000109.5L126 T205 K206 I208 L239L126-V128 HydrophobicContact CD2-CG2 3.72Å; L126-V128 HydrophobicContact CG-CG2 3.81Å; L126-V128 PolarHBondContact O-N 3.01Å; V128-T205 WeakPolarHBondContact O-CA 3.37Å; V128-K206 PolarHBondContact N-O 3.39Å; V128-K206 PolarHBondContact O-N 3.18Å; V128-I208 HydrophobicContact CB-CD1 4.2Å; V128-I208 HydrophobicContact CG2-CD1 4.08Å; V128-L239 HydrophobicContact CG1-CD1 4.17Å; V128-L239 HydrophobicContact CG1-CD2 4.42Å; V128-L239 HydrophobicContact CG2-CD1 4.47Å; V128-L239 HydrophobicContact CG2-CD2 3.97Å
129T90.8Very high90.6Very high76 Ų7657 Ų5747%0.46630%0.304SS..EExtended strand (participates in β ladder)trans-92.3115.2174.5-58.20000109.3R203 T205T129-R203 HydrophobicContact CG2-CB 4.19Å; T129-T205 PolarHBondContact OG1-OG1 3.4Å; T129-T205 VanDerWaalsContact OG1-OG1 3.04Å
130R89.9Confident90.1Very high29 Ų2961.9 Ų61.911%0.10932%0.323CS..EExtended strand (participates in β ladder)trans-122.8158.7-178.264.5177.7-175.6-179-3111.7V132 R203 E204 E227 D229R130-V132 HydrophobicContact CG-CG2 3.99Å; R130-R203 WeakPolarHBondContact O-CA 3.44Å; R130-E204 PolarHBondContact N-O 3.13Å; R130-E204 PolarHBondContact O-N 3.27Å; R130-E227 IonicContact CZ-OE2 2.66Å; R130-E227 IonicContact NH1-OE2 2.7Å; R130-E227 PolarHBondContact NH1-OE2 3.04Å; R130-E227 IonicContact NH2-OE2 2.76Å; R130-D229 WeakPolarHBondContact CA-OD1 3.09Å
131K91.2Very high89.6Confident67 Ų6758.7 Ų58.729%0.29131%0.306SS..EExtended strand (participates in β ladder)trans-83.9126.5169.2-64.9171.4-164.31450109.7V201 V202 D229 R230K131-V201 HydrophobicContact CB-CB 4.22Å; K131-V201 HydrophobicContact CB-CG2 4.29Å; K131-V201 HydrophobicContact CD-CG2 4.16Å; K131-V201 HydrophobicContact CG-CG2 4.34Å; K131-V202 WeakPolarHBondContact CA-O 3.46Å; K131-D229 HydrophobicContact CB-CB 4.34Å; K131-D229 WeakPolarHBondContact CD-OD2 3.36Å; K131-D229 WeakPolarHBondContact CE-OD2 3.5Å; K131-D229 PolarHBondContact N-OD1 3.31Å; K131-D229 IonicContact NZ-OD2 2.71Å; K131-D229 PolarHBondContact NZ-OD2 3.35Å; K131-D229 VanDerWaalsContact NZ-OD2 3.15Å; K131-R230 WeakPolarHBondContact O-CB 3.42Å; K131-R230 PolarHBondContact O-N 3.09Å
132V91.4Very high89.2Confident29 Ų2957.7 Ų57.718%0.17630%0.295CS..EExtended strand (participates in β ladder)trans-116.6148.6173.5-175.80000108.5R130 C134 V201 V202 E204R130-V132 HydrophobicContact CG-CG2 3.99Å; V132-C134 PolarHBondContact O-N 3.21Å; V132-V201 CarbonylContact O-C 3.55Å; V132-V201 VanDerWaalsContact O-CA 3.24Å; V132-V201 WeakPolarHBondContact O-CA 3.34Å; V132-V201 WeakPolarHBondContact O-CB 3.46Å; V132-V202 PolarHBondContact N-O 3.11Å; V132-V202 PolarHBondContact O-N 2.8Å; V132-E204 HydrophobicContact CG2-CB 4.03Å; V132-E204 WeakPolarHBondContact CG2-OE2 3.39Å
133I90.9Very high88.7Confident67 Ų6762.4 Ų62.434%0.34431%0.312SS..EExtended strand (participates in β ladder)trans-58130.6174.6-63.5174000108.5D135 G139 R230I133-D135 PolarHBondContact O-N 2.89Å; I133-D135 VanDerWaalsContact O-N 3.12Å; I133-G139 VanDerWaalsContact CG2-N 3.31Å; I133-R230 HydrophobicContact CG1-CB 4.23Å
134C89.7Confident88Confident1 Ų161.8 Ų61.81%0.00732%0.316CS..  trans-59.9118.7178.9-178.40000109.8V132 Q136 C137 Q138 C196 K200 V202V132-C134 PolarHBondContact O-N 3.21Å; C134-Q136 VanDerWaalsContact C-N 3.32Å; C134-Q136 PolarHBondContact O-N 3.41Å; C134-C137 VanDerWaalsContact CB-SG 3.54Å; C134-Q138 WeakPolarHBondContact O-CA 3.39Å; C134-Q138 PolarHBondContact O-N 2.95Å; C134-C196 HydrophobicContact CB-CB 3.87Å; C134-K200 WeakPolarHBondContact CB-O 3.29Å; C134-K200 PolarHBondContact N-O 3.06Å; C134-V202 HydrophobicContact CB-CG2 3.87Å
135D89.5Confident87.3Confident92 Ų9261.1 Ų61.149%0.49234%0.337SS..THydrogen-bonded Turntrans-54.1-43175.257.3-21.4000112.9I133 K195I133-D135 PolarHBondContact O-N 2.89Å; I133-D135 VanDerWaalsContact O-N 3.12Å; D135-K195 WeakPolarHBondContact OD1-CD 3.29Å; D135-K195 WeakPolarHBondContact OD1-CE 3.39Å; D135-K195 IonicContact OD1-NZ 2.79Å; D135-K195 PolarHBondContact OD1-NZ 2.89Å; D135-K195 IonicContact OD2-NZ 3.13Å; D135-K195 PolarHBondContact OD2-NZ 2.85Å
136Q87Confident86.5Confident138 Ų13855 Ų5565%0.64531%0.313SS*.THydrogen-bonded Turntrans-68.6-38.2-174.7-68.6-68.1-32.400113.6C134 K195C134-Q136 VanDerWaalsContact C-N 3.32Å; C134-Q136 PolarHBondContact O-N 3.41Å; Q136-K195 HydrophobicContact CG-CB 4.28Å; Q136-K195 HydrophobicContact CG-CD 3.98Å
137C85.9Confident86Confident3 Ų355.6 Ų55.62%0.0232%0.318CS..THydrogen-bonded Turntrans-107.4-5.2-179.771.20000113.7C134 G139 R140 G141 C193C134-C137 VanDerWaalsContact CB-SG 3.54Å; C137-G139 PolarHBondContact O-N 2.64Å; C137-R140 VanDerWaalsContact O-CB 3.3Å; C137-R140 WeakPolarHBondContact O-CB 3.45Å; C137-R140 WeakPolarHBondContact O-CG 3.45Å; C137-R140 PolarHBondContact O-N 2.68Å; C137-R140 VanDerWaalsContact O-N 3.09Å; C137-R140 PolarHBondContact O-NE 2.86Å; C137-R140 VanDerWaalsContact O-NE 3.07Å; C137-G141 PolarHBondContact SG-N 2.87Å; C137-C193 HydrophobicContact CB-CB 3.89Å
138Q84.1Confident85.7Confident145 Ų14556.6 Ų56.668%0.67832%0.315SS*.THydrogen-bonded Turntrans50.742.1-175.2-62.1178-20.100112.4C134 R140C134-Q138 WeakPolarHBondContact O-CA 3.39Å; C134-Q138 PolarHBondContact O-N 2.95Å; Q138-R140 VanDerWaalsContact C-N 3.32Å; Q138-R140 PolarHBondContact O-N 3.36Å
139G82.9Confident85.4Confident9 Ų961 Ų619%0.09334%0.342CS..THydrogen-bonded Turntrans79.65.7179.100000115.5I133 C137 K200I133-G139 VanDerWaalsContact CG2-N 3.31Å; C137-G139 PolarHBondContact O-N 2.64Å; G139-K200 WeakPolarHBondContact O-CB 3.32Å; G139-K200 VanDerWaalsContact O-CD 3.25Å; G139-K200 WeakPolarHBondContact O-CD 3.46Å; G139-K200 VanDerWaalsContact O-CG 3.24Å; G139-K200 WeakPolarHBondContact O-CG 3.48Å
140R83.7Confident85.2Confident114 Ų11457.3 Ų57.343%0.4332%0.319SS..SBendtrans-77.1-30.8176.1-68.1179.2-78.3-158.2-3.7113.4C137 Q138 G142 V147 K200C137-R140 VanDerWaalsContact O-CB 3.3Å; C137-R140 WeakPolarHBondContact O-CB 3.45Å; C137-R140 WeakPolarHBondContact O-CG 3.45Å; C137-R140 PolarHBondContact O-N 2.68Å; C137-R140 VanDerWaalsContact O-N 3.09Å; C137-R140 PolarHBondContact O-NE 2.86Å; C137-R140 VanDerWaalsContact O-NE 3.07Å; Q138-R140 VanDerWaalsContact C-N 3.32Å; Q138-R140 PolarHBondContact O-N 3.36Å; R140-G142 VanDerWaalsContact C-N 3.3Å; R140-G142 PolarHBondContact O-N 2.85Å; R140-V147 WeakPolarHBondContact O-CG2 3.29Å; R140-K200 WeakPolarHBondContact O-CE 3.41Å
141G81.4Confident85.1Confident0 Ų066 Ų660%035%0.352CS..SBendtrans90.4-18.6-178.300000114.2C137 C193 G198C137-G141 PolarHBondContact SG-N 2.87Å; G141-C193 WeakPolarHBondContact O-CB 3.49Å; G141-C193 PolarHBondContact O-N 3.16Å; G141-G198 WeakPolarHBondContact O-CA 3.42Å
142G85.3Confident84.9Confident6 Ų666.9 Ų66.96%0.06236%0.363CS..BIsolated β-bridgetrans-152.4-168.3177.300000113R140 D191R140-G142 VanDerWaalsContact C-N 3.3Å; R140-G142 PolarHBondContact O-N 2.85Å; G142-D191 CarbonylContact C-O 3.55Å; G142-D191 WeakPolarHBondContact CA-O 3.5Å
143K82.9Confident84.6Confident131 Ų13165.9 Ų65.957%0.5736%0.358SS*.SBendtrans-60.7157.4171.6-63.9-179.9-166.5147.60111G145 A146 D191K143-G145 PolarHBondContact O-N 3.22Å; K143-A146 HydrophobicContact CB-CB 4.26Å; K143-A146 WeakPolarHBondContact O-CB 3.34Å; K143-A146 PolarHBondContact O-N 3.36Å; K143-D191 PolarHBondContact N-O 3.2Å; K143-D191 VanDerWaalsContact N-O 3.15Å; K143-D191 IonicContact NZ-OD1 3.85Å; K143-D191 PolarHBondContact NZ-OD1 3.46Å
144A79Confident84.3Confident78 Ų7873.3 Ų73.365%0.64538%0.381SS*.THydrogen-bonded Turntrans-56.9124.4176.200000110.5A146A144-A146 VanDerWaalsContact C-N 3.33Å; A144-A146 PolarHBondContact O-N 2.87Å
145G78.1Confident83.9Confident75 Ų7574.4 Ų74.477%0.77339%0.393SS*.THydrogen-bonded Turntrans84.7-7.4-178.300000115.9K143 V147K143-G145 PolarHBondContact O-N 3.22Å; G145-V147 PolarHBondContact O-N 2.85Å
146A78.7Confident83.5Confident16 Ų1674.1 Ų74.113%0.13239%0.394CS..  trans-76.6-12.3178.900000113.9K143 A144 V148 I187 D191K143-A146 HydrophobicContact CB-CB 4.26Å; K143-A146 WeakPolarHBondContact O-CB 3.34Å; K143-A146 PolarHBondContact O-N 3.36Å; A144-A146 VanDerWaalsContact C-N 3.33Å; A144-A146 PolarHBondContact O-N 2.87Å; A146-V148 PolarHBondContact O-N 2.91Å; A146-I187 HydrophobicContact CB-CG2 4.43Å; A146-D191 HydrophobicContact CB-CB 3.51Å
147V81.4Confident83.2Confident44 Ų4467.7 Ų67.727%0.26737%0.366SS..EExtended strand (participates in β ladder)trans-85.8110.5179.8-174.80000108.4R140 G145 E185 I187R140-V147 WeakPolarHBondContact O-CG2 3.29Å; G145-V147 PolarHBondContact O-N 2.85Å; V147-E185 HydrophobicContact CG1-CB 3.75Å; V147-E185 HydrophobicContact CG1-CG 3.82Å; V147-E185 WeakPolarHBondContact CG1-OE2 3.16Å; V147-I187 HydrophobicContact CG2-CD1 4.02Å; V147-I187 HydrophobicContact CG2-CG1 4.14Å
148V84.4Confident83.3Confident65 Ų6571 Ų7139%0.39438%0.383SS..EExtended strand (participates in β ladder)trans-112.7136.5-178.8-175.20000109.3A146 C150 E185 I186A146-V148 PolarHBondContact O-N 2.91Å; V148-C150 PolarHBondContact O-N 2.9Å; V148-E185 CarbonylContact O-C 3.53Å; V148-E185 WeakPolarHBondContact O-CA 3.33Å; V148-I186 PolarHBondContact N-O 2.93Å; V148-I186 PolarHBondContact O-N 3.28Å
149T84.9Confident83.4Confident95 Ų9565.4 Ų65.458%0.58336%0.356SS*.EExtended strand (participates in β ladder)trans-58.1132.6172.952.50000110.4R151T149-R151 PolarHBondContact O-N 3.29Å; T149-R151 VanDerWaalsContact O-N 3.15Å
150C86.1Confident83.3Confident0 Ų069 Ų690%038%0.377CS..  trans-57.7120.3-177.4177.30000110.9V148 T152 C153 R154 G155 C177 C180 K184 I186V148-C150 PolarHBondContact O-N 2.9Å; C150-T152 VanDerWaalsContact C-N 3.34Å; C150-T152 PolarHBondContact O-N 3.04Å; C150-C153 VanDerWaalsContact CB-SG 3.51Å; C150-C153 PolarHBondContact SG-SG 3.14Å; C150-R154 WeakPolarHBondContact O-CA 3.4Å; C150-R154 PolarHBondContact O-N 3.49Å; C150-G155 PolarHBondContact O-N 2.92Å; C150-C177 VanDerWaalsContact SG-SG 3.66Å; C150-C180 HydrophobicContact CB-CB 3.73Å; C150-K184 VanDerWaalsContact CB-O 3.26Å; C150-K184 WeakPolarHBondContact CB-O 2.97Å; C150-K184 PolarHBondContact N-O 2.95Å; C150-I186 HydrophobicContact CB-CD1 4.04Å; C150-I186 HydrophobicContact CB-CG1 3.97Å
151R88.3Confident83.2Confident212 Ų21268.3 Ų68.380%0.838%0.378SS*.THydrogen-bonded Turntrans-68.8-31.2-177.3-62.5-176.6-177.7-172.51.1113.1T149T149-R151 PolarHBondContact O-N 3.29Å; T149-R151 VanDerWaalsContact O-N 3.15Å
152T86.5Confident83.1Confident85 Ų8572.6 Ų72.652%0.52140%0.404SS..THydrogen-bonded Turntrans-75.8-41.1-174.8-37.90000112.8C150 A179C150-T152 VanDerWaalsContact C-N 3.34Å; C150-T152 PolarHBondContact O-N 3.04Å; T152-A179 WeakPolarHBondContact OG1-CB 3.19Å
153C85.6Confident82.7Confident8 Ų879.7 Ų79.75%0.05443%0.429CS..THydrogen-bonded Turntrans-99.6-3.4175.4700000113.3C150 G155 T156 G157 C177C150-C153 VanDerWaalsContact CB-SG 3.51Å; C150-C153 PolarHBondContact SG-SG 3.14Å; C153-G155 PolarHBondContact O-N 3.29Å; C153-T156 WeakPolarHBondContact CB-OG1 3.3Å; C153-T156 WeakPolarHBondContact O-CB 3.46Å; C153-T156 WeakPolarHBondContact O-CG2 3.44Å; C153-T156 PolarHBondContact O-N 3.41Å; C153-T156 PolarHBondContact O-OG1 2.76Å; C153-G157 PolarHBondContact SG-N 3.34Å; C153-C177 HydrophobicContact CB-CB 3.75Å
154R84.4Confident82.5Confident222 Ų22279.9 Ų79.984%0.83843%0.432SS*.THydrogen-bonded Turntrans50.240.9-175.5-57.1-177.9-178.4175.7-0112.7C150 T156C150-R154 WeakPolarHBondContact O-CA 3.4Å; C150-R154 PolarHBondContact O-N 3.49Å; R154-T156 VanDerWaalsContact C-N 3.35Å; R154-T156 PolarHBondContact O-N 2.9Å
155G80.9Confident82.3Confident25 Ų2580.6 Ų80.626%0.25842%0.424SS..THydrogen-bonded Turntrans79.74.4179.900000115.8C150 C153 K184C150-G155 PolarHBondContact O-N 2.92Å; C153-G155 PolarHBondContact O-N 3.29Å; G155-K184 VanDerWaalsContact O-CD 3.25Å; G155-K184 WeakPolarHBondContact O-CD 3.5Å; G155-K184 VanDerWaalsContact O-CG 3.28Å; G155-K184 WeakPolarHBondContact O-CG 3.48Å
156T81.6Confident81.9Confident85 Ų8582.8 Ų82.852%0.52142%0.418SS..SBendtrans-78.3-27.9177.265.60000112.8C153 R154 I158C153-T156 WeakPolarHBondContact CB-OG1 3.3Å; C153-T156 WeakPolarHBondContact O-CB 3.46Å; C153-T156 WeakPolarHBondContact O-CG2 3.44Å; C153-T156 PolarHBondContact O-N 3.41Å; C153-T156 PolarHBondContact O-OG1 2.76Å; R154-T156 VanDerWaalsContact C-N 3.35Å; R154-T156 PolarHBondContact O-N 2.9Å; T156-I158 PolarHBondContact O-N 3.14Å; T156-I158 PolarHBondContact OG1-N 3.28Å; T156-I158 PolarHBondContact OG1-O 3.3Å; T156-I158 VanDerWaalsContact OG1-O 3.06Å
157G82Confident81.6Confident4 Ų488.9 Ų88.94%0.04145%0.453CS..SBendtrans81.1-3.7-176.500000114.3C153 C177C153-G157 PolarHBondContact SG-N 3.34Å; G157-C177 WeakPolarHBondContact O-CB 3.32Å; G157-C177 PolarHBondContact O-N 2.7Å
158I87.8Confident81.2Confident73 Ų7390 Ų9037%0.37447%0.474SS..EExtended strand (participates in β ladder)trans-129.6141.6-174.3-60.4174.6000109.1T156 Q174 T175T156-I158 PolarHBondContact O-N 3.14Å; T156-I158 PolarHBondContact OG1-N 3.28Å; T156-I158 PolarHBondContact OG1-O 3.3Å; T156-I158 VanDerWaalsContact OG1-O 3.06Å; I158-Q174 HydrophobicContact CG2-CB 3.7Å; I158-Q174 HydrophobicContact CG2-CG 4.07Å; I158-T175 CarbonylContact C-O 3.59Å; I158-T175 WeakPolarHBondContact CA-O 3.43Å; I158-T175 WeakPolarHBondContact CG2-O 3.48Å
159Q84.7Confident80.7Confident27 Ų2794.2 Ų94.213%0.12649%0.487CS..EExtended strand (participates in β ladder)trans-109.6129.4169-73.117211.500108.9T175 C177 S178Q159-T175 PolarHBondContact N-O 3.32Å; Q159-T175 PolarHBondContact O-N 3.29Å; Q159-T175 PolarHBondContact O-OG1 3.3Å; Q159-C177 HydrophobicContact CG-CB 4.12Å; Q159-C177 PolarHBondContact NE2-SG 3.28Å; Q159-S178 PolarHBondContact NE2-OG 3.36Å; Q159-S178 VanDerWaalsContact NE2-OG 3.15Å; Q159-S178 PolarHBondContact OE1-OG 3.24Å
160T82.8Confident80.3Confident85 Ų8594 Ų9452%0.52149%0.486SS..EExtended strand (participates in β ladder)trans-93.2114.3173.946.80000109I173 Q174T160-I173 WeakPolarHBondContact CA-O 3.47Å; T160-Q174 HydrophobicContact CG2-CG 3.89Å
161H80Confident80Confident99 Ų9998.6 Ų98.646%0.45851%0.507SS..EExtended strand (participates in β ladder)trans-101.1125.3170.1-67.3-80.6000109.4R163 I173 T175H161-R163 PolarHBondContact O-N 2.97Å; H161-I173 PolarHBondContact N-O 2.83Å; H161-I173 PolarHBondContact O-N 3.12Å; H161-T175 PolarHBondContact CD2-OG1 2.76Å; H161-T175 VanDerWaalsContact CD2-OG1 3.3Å
162V79Confident79.6Confident89 Ų8995.1 Ų95.154%0.53950%0.5SS..EExtended strand (participates in β ladder)trans-82112.1172.1-171.30000107.6V170 Q172V162-V170 HydrophobicContact CG1-CB 3.64Å; V162-V170 HydrophobicContact CG1-CG1 3.93Å; V162-V170 HydrophobicContact CG1-CG2 4.47Å; V162-Q172 HydrophobicContact CG2-CG 4.29Å
163R78.4Confident79.5Confident155 Ų15593.8 Ų93.859%0.58549%0.489SS*.EExtended strand (participates in β ladder)trans-101.2117.5172.7-171.2179.7-178.7-168.40108.5H161 L165 Q171 I173H161-R163 PolarHBondContact O-N 2.97Å; R163-L165 PolarHBondContact O-N 2.88Å; R163-Q171 PolarHBondContact N-O 2.79Å; R163-Q171 PolarHBondContact O-N 3.15Å; R163-I173 HydrophobicContact CB-CD1 3.86Å; R163-I173 HydrophobicContact CB-CG1 4.46Å; R163-I173 HydrophobicContact CG-CD1 4.49Å
164Q77.4Confident79.5Confident135 Ų13599.9 Ų99.963%0.63152%0.517SS*.EExtended strand (participates in β ladder)trans-82.5115.9176.6-157.5154.89.100108.6V170Q164-V170 HydrophobicContact CB-CG1 4.3Å; Q164-V170 HydrophobicContact CG-CG1 3.87Å
165L74.7Confident79.7Confident93 Ų9391.8 Ų91.849%0.48749%0.492SS..EExtended strand (participates in β ladder)trans-90.9-26.7-178.1-70.7172.3000111.6R163 F169 Q171R163-L165 PolarHBondContact O-N 2.88Å; L165-F169 PolarHBondContact N-O 2.85Å; L165-Q171 HydrophobicContact CD1-CB 4.03Å; L165-Q171 HydrophobicContact CG-CB 4.49Å
166N70.5Confident80Confident122 Ų12295.7 Ų95.765%0.65251%0.511SS*.EExtended strand (participates in β ladder)trans-164.7172.1175.5-98.6-24.4000111.9G168 F169N166-G168 PolarHBondContact O-N 3Å; N166-G168 VanDerWaalsContact O-N 3.1Å; N166-F169 PolarHBondContact O-N 2.7Å
167V72Confident80.3Confident143 Ų14391.7 Ų91.787%0.86749%0.487SS*.THydrogen-bonded Turntrans-55.6116.8172.4-176.50000108.8
168G73.3Confident80.6Confident69 Ų6995.7 Ų95.771%0.71151%0.514SS*.THydrogen-bonded Turntrans87.6-8-177.600000116.6N166N166-G168 PolarHBondContact O-N 3Å; N166-G168 VanDerWaalsContact O-N 3.1Å
169F73.7Confident80.5Confident152 Ų15294.6 Ų94.667%0.66752%0.516SS*.EExtended strand (participates in β ladder)trans-119107.1-179.2-75.4-87.9000112.5L165 N166L165-F169 PolarHBondContact N-O 2.85Å; N166-F169 PolarHBondContact O-N 2.7Å
170V77.5Confident80.4Confident90 Ų9093.6 Ų93.655%0.54551%0.512SS..EExtended strand (participates in β ladder)trans-106.8126.2172.9-70.80000110.4V162 Q164V162-V170 HydrophobicContact CG1-CB 3.64Å; V162-V170 HydrophobicContact CG1-CG1 3.93Å; V162-V170 HydrophobicContact CG1-CG2 4.47Å; Q164-V170 HydrophobicContact CB-CG1 4.3Å; Q164-V170 HydrophobicContact CG-CG1 3.87Å
171Q79.9Confident80.4Confident97 Ų9798 Ų9845%0.45352%0.524SS..EExtended strand (participates in β ladder)trans-104.2125.1173.3-171.1-178.728.600109.3R163 L165 I173R163-Q171 PolarHBondContact N-O 2.79Å; R163-Q171 PolarHBondContact O-N 3.15Å; L165-Q171 HydrophobicContact CD1-CB 4.03Å; L165-Q171 HydrophobicContact CG-CB 4.49Å; Q171-I173 HydrophobicContact CG-CG1 4.29Å; Q171-I173 PolarHBondContact O-N 2.85Å
172Q79.7Confident80.4Confident140 Ų14094.8 Ų94.865%0.65452%0.518SS*.EExtended strand (participates in β ladder)trans-84.5111.3170.6-64.4-171.2-10.800109.3V162V162-Q172 HydrophobicContact CG2-CG 4.29Å
173I82.9Confident80.5Confident57 Ų5796.3 Ų96.329%0.29252%0.519SS..EExtended strand (participates in β ladder)trans-97.6122.9174.9-56.9176.1000107.9T160 H161 R163 Q171 T175T160-I173 WeakPolarHBondContact CA-O 3.47Å; H161-I173 PolarHBondContact N-O 2.83Å; H161-I173 PolarHBondContact O-N 3.12Å; R163-I173 HydrophobicContact CB-CD1 3.86Å; R163-I173 HydrophobicContact CB-CG1 4.46Å; R163-I173 HydrophobicContact CG-CD1 4.49Å; Q171-I173 HydrophobicContact CG-CG1 4.29Å; Q171-I173 PolarHBondContact O-N 2.85Å; I173-T175 HydrophobicContact CG2-CG2 4.06Å
174Q86.5Confident80.7Confident136 Ų13694.2 Ų94.264%0.63651%0.514SS*.EExtended strand (participates in β ladder)trans-85.8118171.7-71.5-177.520.600109.3I158 T160I158-Q174 HydrophobicContact CG2-CB 3.7Å; I158-Q174 HydrophobicContact CG2-CG 4.07Å; T160-Q174 HydrophobicContact CG2-CG 3.89Å
175T87.9Confident81.1Confident51 Ų5191 Ų9131%0.31350%0.499SS..EExtended strand (participates in β ladder)trans-114.7150.7174.159.80000110.2I158 Q159 H161 I173 C177I158-T175 CarbonylContact C-O 3.59Å; I158-T175 WeakPolarHBondContact CA-O 3.43Å; I158-T175 WeakPolarHBondContact CG2-O 3.48Å; Q159-T175 PolarHBondContact N-O 3.32Å; Q159-T175 PolarHBondContact O-N 3.29Å; Q159-T175 PolarHBondContact O-OG1 3.3Å; H161-T175 PolarHBondContact CD2-OG1 2.76Å; H161-T175 VanDerWaalsContact CD2-OG1 3.3Å; I173-T175 HydrophobicContact CG2-CG2 4.06Å; T175-C177 PolarHBondContact O-N 2.86Å
176T88.6Confident81.6Confident107 Ų10789.4 Ų89.466%0.65649%0.49SS*.EExtended strand (participates in β ladder)trans-60.1133171.949.40000109.8S178T176-S178 PolarHBondContact O-N 3.09Å; T176-S178 VanDerWaalsContact O-N 3.14Å
177C87.5Confident82.2Confident1 Ų184.8 Ų84.81%0.00747%0.465CS..  trans-55.6120.6-176.4173.20000111.4C150 C153 G157 Q159 T175 A179 C180 K181C150-C177 VanDerWaalsContact SG-SG 3.66Å; C153-C177 HydrophobicContact CB-CB 3.75Å; G157-C177 WeakPolarHBondContact O-CB 3.32Å; G157-C177 PolarHBondContact O-N 2.7Å; Q159-C177 HydrophobicContact CG-CB 4.12Å; Q159-C177 PolarHBondContact NE2-SG 3.28Å; T175-C177 PolarHBondContact O-N 2.86Å; C177-A179 PolarHBondContact O-N 3.21Å; C177-C180 VanDerWaalsContact SG-SG 3.62Å; C177-K181 WeakPolarHBondContact O-CA 3.46Å; C177-K181 PolarHBondContact O-N 2.63Å
178S87.7Confident82.7Confident89 Ų8982.9 Ų82.962%0.62245%0.45SS*.THydrogen-bonded Turntrans-57.3-34-179.352.30000113.9Q159 T176Q159-S178 PolarHBondContact NE2-OG 3.36Å; Q159-S178 VanDerWaalsContact NE2-OG 3.15Å; Q159-S178 PolarHBondContact OE1-OG 3.24Å; T176-S178 PolarHBondContact O-N 3.09Å; T176-S178 VanDerWaalsContact O-N 3.14Å
179A85.2Confident83.2Confident49 Ų4985 Ų8541%0.40545%0.452SS..THydrogen-bonded Turntrans-78-44.5-176.500000114.9T152 C177 I186T152-A179 WeakPolarHBondContact OG1-CB 3.19Å; C177-A179 PolarHBondContact O-N 3.21Å; A179-I186 HydrophobicContact CB-CD1 4.02Å
180C83Confident83.6Confident7 Ų786.9 Ų86.95%0.04746%0.459CS..THydrogen-bonded Turntrans-103.5-1.5179.366.20000114.1C150 C177 G182 E183 K184 E185 I186C150-C180 HydrophobicContact CB-CB 3.73Å; C177-C180 VanDerWaalsContact SG-SG 3.62Å; C180-G182 PolarHBondContact O-N 3.22Å; C180-E183 WeakPolarHBondContact O-CB 3.12Å; C180-E183 PolarHBondContact O-N 2.84Å; C180-K184 PolarHBondContact SG-N 3.23Å; C180-E185 WeakPolarHBondContact CB-O 3.12Å; C180-I186 HydrophobicContact CB-CG1 3.97Å
181K83Confident84.1Confident177 Ų17784.8 Ų84.877%0.7745%0.445SS*.THydrogen-bonded Turntrans50.729.9-175.7-58.7-179-179.9178.70114.2C177C177-K181 WeakPolarHBondContact O-CA 3.46Å; C177-K181 PolarHBondContact O-N 2.63Å
182G80.6Confident84.2Confident32 Ų3281.9 Ų81.933%0.3344%0.435SS..THydrogen-bonded Turntrans92.2-5.2-17900000115.5C180 K184C180-G182 PolarHBondContact O-N 3.22Å; G182-K184 PolarHBondContact O-N 3.38Å
183E79.8Confident84.6Confident121 Ų12176 Ų7657%0.56541%0.409SS*.SBendtrans-75.5-8.3-178.5-62.7-169.4164.800114.1C180 E185C180-E183 WeakPolarHBondContact O-CB 3.12Å; C180-E183 PolarHBondContact O-N 2.84Å; E183-E185 PolarHBondContact O-N 3.05Å
184K83.1Confident84.8Confident111 Ų11183.1 Ų83.148%0.48344%0.438SS..SBendtrans65.9-16.4179.4-55.6174.2174.5-175.30115.4C150 G155 C180 G182C150-K184 VanDerWaalsContact CB-O 3.26Å; C150-K184 WeakPolarHBondContact CB-O 2.97Å; C150-K184 PolarHBondContact N-O 2.95Å; G155-K184 VanDerWaalsContact O-CD 3.25Å; G155-K184 WeakPolarHBondContact O-CD 3.5Å; G155-K184 VanDerWaalsContact O-CG 3.28Å; G155-K184 WeakPolarHBondContact O-CG 3.48Å; C180-K184 PolarHBondContact SG-N 3.23Å; G182-K184 PolarHBondContact O-N 3.38Å
185E85.6Confident84.9Confident68 Ų6881.6 Ų81.632%0.31843%0.429SS..EExtended strand (participates in β ladder)trans-118.5153.8177.2-66168.4176.200109.3V147 V148 C180 E183 K200V147-E185 HydrophobicContact CG1-CB 3.75Å; V147-E185 HydrophobicContact CG1-CG 3.82Å; V147-E185 WeakPolarHBondContact CG1-OE2 3.16Å; V148-E185 CarbonylContact O-C 3.53Å; V148-E185 WeakPolarHBondContact O-CA 3.33Å; C180-E185 WeakPolarHBondContact CB-O 3.12Å; E183-E185 PolarHBondContact O-N 3.05Å; E185-K200 IonicContact OE2-NZ 3Å; E185-K200 PolarHBondContact OE2-NZ 3.31Å
186I85Confident84.8Confident58 Ų5879.2 Ų79.230%0.29742%0.415SS..EExtended strand (participates in β ladder)trans-124.6136172.5-63.2176.4000106.5V148 C150 A179 C180V148-I186 PolarHBondContact N-O 2.93Å; V148-I186 PolarHBondContact O-N 3.28Å; C150-I186 HydrophobicContact CB-CD1 4.04Å; C150-I186 HydrophobicContact CB-CG1 3.97Å; A179-I186 HydrophobicContact CB-CD1 4.02Å; C180-I186 HydrophobicContact CB-CG1 3.97Å
187I84Confident84.6Confident26 Ų2680.4 Ų80.413%0.13341%0.413CS..EExtended strand (participates in β ladder)trans-120.1129.9173.4-52.9175.5000106.2A146 V147A146-I187 HydrophobicContact CB-CG2 4.43Å; V147-I187 HydrophobicContact CG2-CD1 4.02Å; V147-I187 HydrophobicContact CG2-CG1 4.14Å
188D83.4Confident84.3Confident103 Ų10380.7 Ų80.755%0.55142%0.416SS*.  trans-62.5135.5174.9-79.3-41.9000109.7K190 D191 C192D188-K190 PolarHBondContact O-N 3.46Å; D188-D191 PolarHBondContact O-N 2.76Å; D188-C192 PolarHBondContact O-N 2.94Å
189P82.3Confident84.1Confident114 Ų11483.6 Ų83.674%0.7441%0.414SS*.THydrogen-bonded Turntrans-52.8-26.7-176.6-29.334.5000114.6
190K83.2Confident84.2Confident190 Ų19083.6 Ų83.683%0.82640%0.404SS*.THydrogen-bonded Turntrans-73.3-26.2178.3-62.9-179.4-178.91780113.5D188D188-K190 PolarHBondContact O-N 3.46Å
191D86.4Confident84.6Confident47 Ų4784.6 Ų84.625%0.25141%0.41SS..THydrogen-bonded Turntrans-107.4-1.2-177.2-66.4-47.8000113.3G142 K143 A146 D188 C193G142-D191 CarbonylContact C-O 3.55Å; G142-D191 WeakPolarHBondContact CA-O 3.5Å; K143-D191 PolarHBondContact N-O 3.2Å; K143-D191 VanDerWaalsContact N-O 3.15Å; K143-D191 IonicContact NZ-OD1 3.85Å; K143-D191 PolarHBondContact NZ-OD1 3.46Å; A146-D191 HydrophobicContact CB-CB 3.51Å; D188-D191 PolarHBondContact O-N 2.76Å; D191-C193 PolarHBondContact O-N 3.03Å
192C84Confident85.1Confident36 Ų3678 Ų7824%0.24339%0.385CS..BIsolated β-bridgetrans-54.6136.2166.6-73.10000110.8D188 K194D188-C192 PolarHBondContact O-N 2.94Å; C192-K194 PolarHBondContact O-N 3.12Å
193C86.8Confident85.6Confident15 Ų1585.6 Ų85.610%0.10140%0.404CS..  trans-62.7127.4174.8176.70000109.9C137 G141 D191 K195 C196 E197C137-C193 HydrophobicContact CB-CB 3.89Å; G141-C193 WeakPolarHBondContact O-CB 3.49Å; G141-C193 PolarHBondContact O-N 3.16Å; D191-C193 PolarHBondContact O-N 3.03Å; C193-K195 PolarHBondContact O-N 3.41Å; C193-C196 VanDerWaalsContact CB-SG 3.58Å; C193-E197 WeakPolarHBondContact O-CA 3.31Å; C193-E197 PolarHBondContact O-N 3.07Å
194K87.4Confident86.2Confident207 Ų20784.7 Ų84.790%0.940%0.399SS*.THydrogen-bonded Turntrans-61.9-27-178.1-62.3-177.3179.8-178.40114C192C192-K194 PolarHBondContact O-N 3.12Å
195K87.6Confident86.6Confident104 Ų10483.8 Ų83.845%0.45240%0.403SS..THydrogen-bonded Turntrans-83.8-38.9-176.2-166.7-176.9-179.2-179.50113.5D135 Q136 C193 V202D135-K195 WeakPolarHBondContact OD1-CD 3.29Å; D135-K195 WeakPolarHBondContact OD1-CE 3.39Å; D135-K195 IonicContact OD1-NZ 2.79Å; D135-K195 PolarHBondContact OD1-NZ 2.89Å; D135-K195 IonicContact OD2-NZ 3.13Å; D135-K195 PolarHBondContact OD2-NZ 2.85Å; Q136-K195 HydrophobicContact CG-CB 4.28Å; Q136-K195 HydrophobicContact CG-CD 3.98Å; C193-K195 PolarHBondContact O-N 3.41Å; K195-V202 HydrophobicContact CD-CG2 4.24Å; K195-V202 HydrophobicContact CG-CG2 4.04Å
196C86.3Confident86.9Confident2 Ų283.9 Ų83.91%0.01440%0.402CS..THydrogen-bonded Turntrans-107.2-5.8-179.671.20000113.8C134 C193 G198 R199 K200 V201 V202C134-C196 HydrophobicContact CB-CB 3.87Å; C193-C196 VanDerWaalsContact CB-SG 3.58Å; C196-G198 VanDerWaalsContact C-N 3.3Å; C196-G198 PolarHBondContact O-N 3.47Å; C196-R199 VanDerWaalsContact O-CB 3.23Å; C196-R199 WeakPolarHBondContact O-CB 3.48Å; C196-R199 WeakPolarHBondContact O-CG 3.42Å; C196-R199 PolarHBondContact O-N 2.93Å; C196-R199 PolarHBondContact O-NE 3.19Å; C196-K200 PolarHBondContact SG-N 3.23Å; C196-V201 WeakPolarHBondContact CB-O 3.24Å; C196-V202 HydrophobicContact CB-CG2 3.93Å
197E85Confident87.2Confident131 Ų13185.3 Ų85.361%0.61241%0.414SS*.THydrogen-bonded Turntrans53.144-179.1-57.8171.4158.300112.6C193 R199C193-E197 WeakPolarHBondContact O-CA 3.31Å; C193-E197 PolarHBondContact O-N 3.07Å; E197-R199 VanDerWaalsContact C-N 3.27Å; E197-R199 PolarHBondContact O-N 3.23Å; E197-R199 IonicContact OE2-CZ 3.78Å; E197-R199 IonicContact OE2-NH2 3.49Å; E197-R199 PolarHBondContact OE2-NH2 3.41Å
198G81.6Confident87.7Confident8 Ų884.7 Ų84.78%0.08241%0.41CS..THydrogen-bonded Turntrans85.2-17.7-177.300000115.4G141 C196 K200G141-G198 WeakPolarHBondContact O-CA 3.42Å; C196-G198 VanDerWaalsContact C-N 3.3Å; C196-G198 PolarHBondContact O-N 3.47Å; G198-K200 PolarHBondContact O-N 3.5Å
199R83.8Confident88.2Confident149 Ų14984.8 Ų84.856%0.56241%0.408SS*.SBendtrans-71.7-3.6-172.8-63.6-179.3-88.6-166.7-8.5116.1C196 E197 V201C196-R199 VanDerWaalsContact O-CB 3.23Å; C196-R199 WeakPolarHBondContact O-CB 3.48Å; C196-R199 WeakPolarHBondContact O-CG 3.42Å; C196-R199 PolarHBondContact O-N 2.93Å; C196-R199 PolarHBondContact O-NE 3.19Å; E197-R199 VanDerWaalsContact C-N 3.27Å; E197-R199 PolarHBondContact O-N 3.23Å; E197-R199 IonicContact OE2-CZ 3.78Å; E197-R199 IonicContact OE2-NH2 3.49Å; E197-R199 PolarHBondContact OE2-NH2 3.41Å; R199-V201 PolarHBondContact O-N 3.36Å
200K86.9Confident88.8Confident49 Ų4979.3 Ų79.321%0.21337%0.372CS..SBendtrans65-19.9-179.4-53.8174.4174.3-179.50116C134 G139 R140 E185 C196 G198 P232C134-K200 WeakPolarHBondContact CB-O 3.29Å; C134-K200 PolarHBondContact N-O 3.06Å; G139-K200 WeakPolarHBondContact O-CB 3.32Å; G139-K200 VanDerWaalsContact O-CD 3.25Å; G139-K200 WeakPolarHBondContact O-CD 3.46Å; G139-K200 VanDerWaalsContact O-CG 3.24Å; G139-K200 WeakPolarHBondContact O-CG 3.48Å; R140-K200 WeakPolarHBondContact O-CE 3.41Å; E185-K200 IonicContact OE2-NZ 3Å; E185-K200 PolarHBondContact OE2-NZ 3.31Å; C196-K200 PolarHBondContact SG-N 3.23Å; G198-K200 PolarHBondContact O-N 3.5Å; K200-P232 HydrophobicContact CB-CG 3.76Å; K200-P232 HydrophobicContact CD-CG 4.26Å
201V91.2Very high89.3Confident29 Ų2973.3 Ų73.318%0.17635%0.352CS..EExtended strand (participates in β ladder)trans-123153179.8-61.10000111.8K131 V132 C196 R199 R230K131-V201 HydrophobicContact CB-CB 4.22Å; K131-V201 HydrophobicContact CB-CG2 4.29Å; K131-V201 HydrophobicContact CD-CG2 4.16Å; K131-V201 HydrophobicContact CG-CG2 4.34Å; V132-V201 CarbonylContact O-C 3.55Å; V132-V201 VanDerWaalsContact O-CA 3.24Å; V132-V201 WeakPolarHBondContact O-CA 3.34Å; V132-V201 WeakPolarHBondContact O-CB 3.46Å; C196-V201 WeakPolarHBondContact CB-O 3.24Å; R199-V201 PolarHBondContact O-N 3.36Å; V201-R230 WeakPolarHBondContact CG1-O 3.16Å
202V92.4Very high89.7Confident37 Ų3771.2 Ų71.222%0.22434%0.341CS..EExtended strand (participates in β ladder)trans-123.1145.3175.3-179.30000108.3K131 V132 C134 K195 C196K131-V202 WeakPolarHBondContact CA-O 3.46Å; V132-V202 PolarHBondContact N-O 3.11Å; V132-V202 PolarHBondContact O-N 2.8Å; C134-V202 HydrophobicContact CB-CG2 3.87Å; K195-V202 HydrophobicContact CD-CG2 4.24Å; K195-V202 HydrophobicContact CG-CG2 4.04Å; C196-V202 HydrophobicContact CB-CG2 3.93Å
203R92.2Very high90.2Very high193 Ų19373.3 Ų73.373%0.72835%0.35SS*.EExtended strand (participates in β ladder)trans-82126174.3-66-178.9-179.2177.5-1.6109.4T129 R130T129-R203 HydrophobicContact CG2-CB 4.19Å; R130-R203 WeakPolarHBondContact O-CA 3.44Å
204E91.1Very high90.5Very high101 Ų10177.6 Ų77.647%0.47237%0.367SS..EExtended strand (participates in β ladder)trans-127.5133.2177.7-171.6-179.217200109.1R130 V132R130-E204 PolarHBondContact N-O 3.13Å; R130-E204 PolarHBondContact O-N 3.27Å; V132-E204 HydrophobicContact CG2-CB 4.03Å; V132-E204 WeakPolarHBondContact CG2-OE2 3.39Å
205T92.3Very high90.8Very high92 Ų9267.7 Ų67.756%0.56432%0.324SS*.EExtended strand (participates in β ladder)trans-95.1115.5176.4-54.80000109V128 T129V128-T205 WeakPolarHBondContact O-CA 3.37Å; T129-T205 PolarHBondContact OG1-OG1 3.4Å; T129-T205 VanDerWaalsContact OG1-OG1 3.04Å
206K91.1Very high91.1Very high70 Ų7063 Ų6330%0.30430%0.303SS..EExtended strand (participates in β ladder)trans-108.2132.7175.9-177.7175.6172.3-172.50109.3V128 I208 E227V128-K206 PolarHBondContact N-O 3.39Å; V128-K206 PolarHBondContact O-N 3.18Å; K206-I208 HydrophobicContact CG-CG1 4.32Å; K206-E227 IonicContact NZ-OE1 3.65Å; K206-E227 PolarHBondContact NZ-OE1 2.8Å; K206-E227 IonicContact NZ-OE2 3.15Å; K206-E227 PolarHBondContact NZ-OE2 3.41Å
207V93.2Very high91.4Very high89 Ų8966 Ų6654%0.53932%0.322SS..EExtended strand (participates in β ladder)trans-84.5121.2172.5-177.20000108.4K125 L126K125-V207 HydrophobicContact CB-CG1 3.81Å; K125-V207 HydrophobicContact CD-CG1 4.38Å; K125-V207 HydrophobicContact CG-CG1 4.43Å; L126-V207 WeakPolarHBondContact O-CA 3.12Å
208I92.6Very high91.9Very high12 Ų1264 Ų646%0.06232%0.316CS..EExtended strand (participates in β ladder)trans-110129.7178.6-62.4173.8000107.8L126 V128 K206 V210 F224 E227 L239L126-I208 PolarHBondContact N-O 2.8Å; L126-I208 PolarHBondContact O-N 2.98Å; V128-I208 HydrophobicContact CB-CD1 4.2Å; V128-I208 HydrophobicContact CG2-CD1 4.08Å; K206-I208 HydrophobicContact CG-CG1 4.32Å; I208-V210 HydrophobicContact CG2-CG2 4.39Å; I208-F224 HydrophobicContact CG2-CD1 4.1Å; I208-F224 HydrophobicContact CG2-CE1 3.86Å; I208-F224 HydrophobicContact CG2-CE2 4.3Å; I208-F224 HydrophobicContact CG2-CG 4.4Å; I208-F224 HydrophobicContact CG2-CZ 3.97Å; I208-E227 HydrophobicContact CD1-CB 4.4Å; I208-L239 HydrophobicContact CD1-CD2 3.24Å
209E94.2Very high92.4Very high105 Ų10565.6 Ų65.649%0.49133%0.332SS..EExtended strand (participates in β ladder)trans-86.5115.5175.2-57.7-166155.700108.6V123 K125 P211V123-E209 HydrophobicContact CG1-CB 3.97Å; K125-E209 WeakPolarHBondContact CE-OE1 3.48Å; K125-E209 HydrophobicContact CG-CG 4.31Å; K125-E209 IonicContact NZ-OE1 2.85Å; K125-E209 PolarHBondContact NZ-OE1 2.7Å; E209-P211 WeakPolarHBondContact O-CD 3.05Å
210V94.7Very high92.9Very high0 Ų060.3 Ų60.30%031%0.314CS..EExtended strand (participates in β ladder)trans-102.4106.6-177.1-172.10000108.1L111 R124 L126 I208 I212 I222 F224 I241L111-V210 HydrophobicContact CD2-CB 4.16Å; L111-V210 HydrophobicContact CD2-CG1 3.94Å; R124-V210 PolarHBondContact N-O 2.64Å; R124-V210 PolarHBondContact O-N 3.5Å; L126-V210 HydrophobicContact CB-CG2 4.15Å; I208-V210 HydrophobicContact CG2-CG2 4.39Å; V210-I212 PolarHBondContact O-N 3.1Å; V210-I222 HydrophobicContact CG1-CD1 3.55Å; V210-F224 HydrophobicContact CG1-CE2 4.41Å; V210-F224 HydrophobicContact CG1-CZ 4.45Å; V210-F224 HydrophobicContact CG2-CE2 4.32Å; V210-F224 HydrophobicContact CG2-CZ 4.31Å; V210-I241 HydrophobicContact CG1-CD1 4.32Å; V210-I241 HydrophobicContact CG1-CG2 4.26Å; V210-I241 HydrophobicContact CG2-CD1 3.47Å; V210-I241 VanDerWaalsContact CG2-CD1 3.47Å
211P94.1Very high93.3Very high63 Ų6361.3 Ų61.341%0.40932%0.324SS..EExtended strand (participates in β ladder)trans-73.2123.7174.929.6-32.1000109.5E209 I222E209-P211 WeakPolarHBondContact O-CD 3.05Å; P211-I222 WeakPolarHBondContact O-CD1 3.42Å
212I94.8Very high93.4Very high4 Ų461.2 Ų61.22%0.02132%0.322CS..EExtended strand (participates in β ladder)trans-104.3104.3174.1-59.4170.3000106.5L111 V113 L118 G121 S122 R124 V210 M216L111-I212 HydrophobicContact CD2-CD1 4.15Å; V113-I212 HydrophobicContact CB-CD1 4.4Å; V113-I212 HydrophobicContact CG1-CD1 3.79Å; V113-I212 HydrophobicContact CG1-CG2 4.24Å; V113-I212 HydrophobicContact CG2-CD1 3.6Å; L118-I212 HydrophobicContact CD2-CG2 3.83Å; G121-I212 CarbonylContact C-O 3.53Å; G121-I212 WeakPolarHBondContact CA-O 3.48Å; S122-I212 PolarHBondContact N-O 3.16Å; S122-I212 WeakPolarHBondContact O-CA 3.41Å; S122-I212 WeakPolarHBondContact O-CB 3.18Å; S122-I212 PolarHBondContact O-N 3.4Å; R124-I212 HydrophobicContact CB-CD1 4.08Å; R124-I212 HydrophobicContact CG-CD1 3.49Å; R124-I212 VanDerWaalsContact CG-CD1 3.49Å; V210-I212 PolarHBondContact O-N 3.1Å; I212-M216 HydrophobicContact CG2-SD 4.31Å
213D94.5Very high93.5Very high80 Ų8065.3 Ų65.343%0.42834%0.337SS..  trans-73.3153179-68.3-31000111.3G215 M216 Y311D213-G215 PolarHBondContact O-N 2.79Å; D213-M216 HydrophobicContact CB-CG 3.9Å; D213-M216 HydrophobicContact CB-SD 3.93Å; D213-M216 PolarHBondContact N-SD 3.31Å; D213-M216 VanDerWaalsContact O-CG 3.27Å; D213-M216 WeakPolarHBondContact O-CG 3.37Å; D213-M216 PolarHBondContact O-N 3.07Å; D213-Y311 HydrophobicContact CB-CD2 4.24Å; D213-Y311 HydrophobicContact CB-CE2 3.75Å
214K93.8Very high93.5Very high104 Ų10458.2 Ų58.245%0.45231%0.312SS..THydrogen-bonded Turntrans-59.4129.4174.4-63.3176.9175.5176.20110.5N120 M216 P309 P314N120-K214 WeakPolarHBondContact O-CE 3.28Å; K214-M216 VanDerWaalsContact C-N 3.35Å; K214-P309 HydrophobicContact CB-CG 4.1Å; K214-P314 HydrophobicContact CB-CB 4.28Å; K214-P314 HydrophobicContact CD-CB 4.11Å
215G92.8Very high93.6Very high0 Ų059.7 Ų59.70%032%0.318CS..THydrogen-bonded Turntrans82.88.117400000115L118 D213 P309L118-G215 PolarHBondContact O-N 3.41Å; D213-G215 PolarHBondContact O-N 2.79Å; G215-P309 WeakPolarHBondContact CA-O 3.5Å
216M94.7Very high93.3Very high4 Ų459 Ų592%0.0231%0.311CS..PPolyproline II helixtrans-55.8145.3171.3-72.3-175.995.700111.1L118 I212 D213 K214 Q220 I222 L243 R253 Y311L118-M216 HydrophobicContact CD2-CB 3.99Å; I212-M216 HydrophobicContact CG2-SD 4.31Å; D213-M216 HydrophobicContact CB-CG 3.9Å; D213-M216 HydrophobicContact CB-SD 3.93Å; D213-M216 PolarHBondContact N-SD 3.31Å; D213-M216 VanDerWaalsContact O-CG 3.27Å; D213-M216 WeakPolarHBondContact O-CG 3.37Å; D213-M216 PolarHBondContact O-N 3.07Å; K214-M216 VanDerWaalsContact C-N 3.35Å; M216-Q220 VanDerWaalsContact CA-OE1 3.3Å; M216-Q220 VanDerWaalsContact CE-CD 3.47Å; M216-Q220 HydrophobicContact CE-CG 3.9Å; M216-I222 HydrophobicContact CE-CD1 3.83Å; M216-I222 HydrophobicContact CE-CG1 3.71Å; M216-I222 HydrophobicContact SD-CD1 4.4Å; M216-L243 HydrophobicContact CB-CD1 3.87Å; M216-L243 HydrophobicContact CE-CD1 3.75Å; M216-L243 HydrophobicContact CG-CD1 4.4Å; M216-L243 HydrophobicContact SD-CD1 3.73Å; M216-R253 VanDerWaalsContact O-CZ 3.3Å; M216-R253 PolarHBondContact O-NH1 3.09Å; M216-R253 PolarHBondContact O-NH2 3.32Å; M216-Y311 HydrophobicContact CG-CD2 3.78Å; M216-Y311 HydrophobicContact CG-CE2 3.77Å
217T93.6Very high93.2Very high65 Ų6557.7 Ų57.740%0.39931%0.306SS..PPolyproline II helixtrans-95.7155.3-177.859.80000111.4Q220T217-Q220 VanDerWaalsContact N-OE1 3.09Å; T217-Q220 WeakPolarHBondContact O-CB 3.46Å; T217-Q220 PolarHBondContact O-N 3.26Å
218D93.7Very high93Very high91 Ų9153.5 Ų53.549%0.48728%0.281SS..THydrogen-bonded Turntrans-53.9140.5166.2-175.744.3000111.3Q220 D244 E245D218-Q220 PolarHBondContact O-N 3.4Å; D218-D244 WeakPolarHBondContact OD1-CA 3.35Å; D218-E245 HydrophobicContact CB-CB 3.82Å; D218-E245 PolarHBondContact OD1-N 3.03Å
219G93.7Very high92.8Very high41 Ų4154.8 Ų54.842%0.42329%0.288SS..THydrogen-bonded Turntrans73.70.5-176.100000115.9L243G219-L243 WeakPolarHBondContact CA-O 3.46Å; G219-L243 PolarHBondContact N-O 3.47Å
220Q93.8Very high92.6Very high37 Ų3754.1 Ų54.117%0.17328%0.281CS..PPolyproline II helixtrans-67.3135.3177.9-172.5170.2-7.300111M216 T217 D218 L243 Y311M216-Q220 VanDerWaalsContact CA-OE1 3.3Å; M216-Q220 VanDerWaalsContact CE-CD 3.47Å; M216-Q220 HydrophobicContact CE-CG 3.9Å; T217-Q220 VanDerWaalsContact N-OE1 3.09Å; T217-Q220 WeakPolarHBondContact O-CB 3.46Å; T217-Q220 PolarHBondContact O-N 3.26Å; D218-Q220 PolarHBondContact O-N 3.4Å; Q220-L243 HydrophobicContact CB-CD1 4.5Å; Q220-L243 WeakPolarHBondContact O-CG 3.38Å; Q220-L243 PolarHBondContact O-N 3.46Å; Q220-Y311 VanDerWaalsContact NE2-CE1 3.35Å
221T94.4Very high92.1Very high71 Ų7158.4 Ų58.444%0.43630%0.301SS..EExtended strand (participates in β ladder)trans-101.6130.3-177.863.90000112.4I240 I241 T242T221-I240 HydrophobicContact CG2-CG2 4.03Å; T221-I241 CarbonylContact C-O 3.58Å; T221-I241 VanDerWaalsContact CA-O 3.29Å; T221-I241 WeakPolarHBondContact CA-O 3.1Å; T221-T242 HydrophobicContact CG2-CG2 4.31Å
222I93.9Very high91.6Very high26 Ų2658 Ų5813%0.13330%0.298CS..EExtended strand (participates in β ladder)trans-103.9124.4169.9-56169.6000107.9V210 P211 M216 F224 I241 L243V210-I222 HydrophobicContact CG1-CD1 3.55Å; P211-I222 WeakPolarHBondContact O-CD1 3.42Å; M216-I222 HydrophobicContact CE-CD1 3.83Å; M216-I222 HydrophobicContact CE-CG1 3.71Å; M216-I222 HydrophobicContact SD-CD1 4.4Å; I222-F224 HydrophobicContact CB-CE2 4.31Å; I222-F224 HydrophobicContact CG2-CD2 4.23Å; I222-F224 HydrophobicContact CG2-CE2 3.51Å; I222-F224 HydrophobicContact CG2-CZ 3.89Å; I222-I241 PolarHBondContact N-O 2.99Å; I222-I241 PolarHBondContact O-N 3.45Å; I222-L243 HydrophobicContact CD1-CD2 4.12Å
223K94.1Very high90.9Very high123 Ų12361.7 Ų61.754%0.53534%0.337SS..EExtended strand (participates in β ladder)trans-104.6129.2-177.6-61.9-173.3-179.9-175.50110.7I240K223-I240 HydrophobicContact CG-CG1 4.37Å
224F93.1Very high90.4Very high45 Ų4560.5 Ų60.520%0.19733%0.33CS..EExtended strand (participates in β ladder)trans-113.1115.1171.1-65-92.3000108.8I208 V210 I222 E227 L239 I241I208-F224 HydrophobicContact CG2-CD1 4.1Å; I208-F224 HydrophobicContact CG2-CE1 3.86Å; I208-F224 HydrophobicContact CG2-CE2 4.3Å; I208-F224 HydrophobicContact CG2-CG 4.4Å; I208-F224 HydrophobicContact CG2-CZ 3.97Å; V210-F224 HydrophobicContact CG1-CE2 4.41Å; V210-F224 HydrophobicContact CG1-CZ 4.45Å; V210-F224 HydrophobicContact CG2-CE2 4.32Å; V210-F224 HydrophobicContact CG2-CZ 4.31Å; I222-F224 HydrophobicContact CB-CE2 4.31Å; I222-F224 HydrophobicContact CG2-CD2 4.23Å; I222-F224 HydrophobicContact CG2-CE2 3.51Å; I222-F224 HydrophobicContact CG2-CZ 3.89Å; F224-E227 HydrophobicContact CB-CB 4.14Å; F224-E227 HydrophobicContact CB-CG 3.97Å; F224-L239 HydrophobicContact CB-CB 4.21Å; F224-L239 HydrophobicContact CD2-CD2 4.4Å; F224-L239 PolarHBondContact N-O 2.97Å; F224-L239 PolarHBondContact O-N 2.91Å; F224-I241 HydrophobicContact CD2-CD1 3.74Å; F224-I241 HydrophobicContact CE2-CD1 3.43Å; F224-I241 VanDerWaalsContact CE2-CD1 3.43Å; F224-I241 HydrophobicContact CZ-CD1 4.46Å
225H91.8Very high90Very high132 Ų13259.8 Ų59.861%0.61133%0.329SS*.THydrogen-bonded Turntrans-71.1139.6-175.8-67.7-60.3000112.3E227 D238H225-E227 PolarHBondContact O-N 3.03Å; H225-D238 VanDerWaalsContact CA-OD1 3.32Å; H225-D238 WeakPolarHBondContact CA-OD1 3.43Å; H225-D238 IonicContact ND1-OD1 3.51Å; H225-D238 PolarHBondContact ND1-OD1 3.05Å; H225-D238 IonicContact ND1-OD2 3.91Å; H225-D238 PolarHBondContact ND1-OD2 3.26Å
226D87.7Confident89.8Confident77 Ų7760.5 Ų60.541%0.41233%0.333SS..THydrogen-bonded Turntrans5916.6175.2-58.1-39.6000116.1R230 P236 D238D226-R230 PolarHBondContact O-NH2 3.11Å; D226-P236 HydrophobicContact CB-CB 4.49Å; D226-P236 HydrophobicContact CB-CG 3.74Å; D226-D238 PolarHBondContact N-OD1 3.23Å
227E88.6Confident89.6Confident43 Ų4360.3 Ų60.320%0.20133%0.332CS..  trans-94.3-0.1179.6-69.1-65.416800113.7R130 K206 I208 F224 H225 L239R130-E227 IonicContact CZ-OE2 2.66Å; R130-E227 IonicContact NH1-OE2 2.7Å; R130-E227 PolarHBondContact NH1-OE2 3.04Å; R130-E227 IonicContact NH2-OE2 2.76Å; K206-E227 IonicContact NZ-OE1 3.65Å; K206-E227 PolarHBondContact NZ-OE1 2.8Å; K206-E227 IonicContact NZ-OE2 3.15Å; K206-E227 PolarHBondContact NZ-OE2 3.41Å; I208-E227 HydrophobicContact CD1-CB 4.4Å; F224-E227 HydrophobicContact CB-CB 4.14Å; F224-E227 HydrophobicContact CB-CG 3.97Å; H225-E227 PolarHBondContact O-N 3.03Å; E227-L239 HydrophobicContact CB-CB 3.85Å; E227-L239 HydrophobicContact CB-CD2 4.43Å
228G87.9Confident89.5Confident1 Ų157.9 Ų57.91%0.0132%0.317CS..SBendtrans-75.1-170.5176.400000115.1G237G228-G237 WeakPolarHBondContact CA-O 2.92Å; G228-G237 PolarHBondContact N-O 3.09Å
229D89.9Confident89.5Confident39 Ų3953.5 Ų53.521%0.20929%0.294CS..  trans-64.5132.8177-89.9-3.1000111.3R130 K131R130-D229 WeakPolarHBondContact CA-OD1 3.09Å; K131-D229 HydrophobicContact CB-CB 4.34Å; K131-D229 WeakPolarHBondContact CD-OD2 3.36Å; K131-D229 WeakPolarHBondContact CE-OD2 3.5Å; K131-D229 PolarHBondContact N-OD1 3.31Å; K131-D229 IonicContact NZ-OD2 2.71Å; K131-D229 PolarHBondContact NZ-OD2 3.35Å; K131-D229 VanDerWaalsContact NZ-OD2 3.15Å
230R88.4Confident89.5Confident90 Ų9052.8 Ų52.834%0.3428%0.28SS..  trans-96.7132.3174.2-66.4178.5-178.3-111.3-8.1110.6K131 I133 V201 D226 P236K131-R230 WeakPolarHBondContact O-CB 3.42Å; K131-R230 PolarHBondContact O-N 3.09Å; I133-R230 HydrophobicContact CG1-CB 4.23Å; V201-R230 WeakPolarHBondContact CG1-O 3.16Å; D226-R230 PolarHBondContact O-NH2 3.11Å; R230-P236 HydrophobicContact CG-CB 4.03Å
231E85.5Confident89.6Confident91 Ų9151 Ų5143%0.42527%0.272SS..  trans-125140.6172.6-68.8-174172.100110.1G233 L234E231-G233 PolarHBondContact O-N 2.89Å; E231-G233 VanDerWaalsContact O-N 3.16Å; E231-L234 HydrophobicContact CB-CB 4.37Å; E231-L234 HydrophobicContact CB-CD1 3.77Å; E231-L234 PolarHBondContact O-N 3.47Å; E231-L234 VanDerWaalsContact O-N 3.1Å
232P82.3Confident89.7Confident54 Ų5449 Ų4935%0.35126%0.259SS..THydrogen-bonded Turntrans-57.4121.1178.4-22.832000112K200K200-P232 HydrophobicContact CB-CG 3.76Å; K200-P232 HydrophobicContact CD-CG 4.26Å
233G80.2Confident89.7Confident81 Ų8148 Ų4884%0.83525%0.254SS*.THydrogen-bonded Turntrans87.41.9179.400000115.5E231E231-G233 PolarHBondContact O-N 2.89Å; E231-G233 VanDerWaalsContact O-N 3.16Å
234L83.9Confident89.8Confident56 Ų5644.9 Ų44.929%0.29324%0.243SC..SBendtrans-116.8145.9170.4-68116.5000110.6R102 E231R102-L234 HydrophobicContact CB-CD2 3.4Å; R102-L234 VanDerWaalsContact CB-CD2 3.4Å; R102-L234 HydrophobicContact CB-CG 4.06Å; R102-L234 CarbonylContact O-C 3.55Å; R102-L234 WeakPolarHBondContact O-CA 3.36Å; R102-L234 WeakPolarHBondContact O-CB 3.48Å; R102-L234 VanDerWaalsContact O-CD2 3.31Å; R102-L234 WeakPolarHBondContact O-CD2 3.46Å; R102-L234 WeakPolarHBondContact O-CG 3.44Å; E231-L234 HydrophobicContact CB-CB 4.37Å; E231-L234 HydrophobicContact CB-CD1 3.77Å; E231-L234 PolarHBondContact O-N 3.47Å; E231-L234 VanDerWaalsContact O-N 3.1Å
235E85.4Confident89.9Confident88 Ų8844.5 Ų44.541%0.41124%0.242SC..BIsolated β-bridgetrans-70.3144.5166.8-80.2177.5177.200109.6P101 R102 R103 G104P101-E235 HydrophobicContact CB-CG 3.93Å; P101-E235 WeakPolarHBondContact CB-OE1 3.19Å; P101-E235 HydrophobicContact CG-CG 4.23Å; P101-E235 WeakPolarHBondContact CG-OE1 3.49Å; P101-E235 WeakPolarHBondContact CG-OE2 3.46Å; R102-E235 PolarHBondContact O-N 3.38Å; R103-E235 CarbonylContact C-O 3.6Å; R103-E235 HydrophobicContact CG-CB 4.1Å; G104-E235 PolarHBondContact N-O 2.96Å
236P89.8Confident90.1Very high15 Ų1541.6 Ų41.610%0.09723%0.229CC..PPolyproline II helixtrans-59.9148.7176.923.3-30.7000112.2D226 R230D226-P236 HydrophobicContact CB-CB 4.49Å; D226-P236 HydrophobicContact CB-CG 3.74Å; R230-P236 HydrophobicContact CG-CB 4.03Å
237G89.8Confident90.4Very high0 Ų043.6 Ų43.60%025%0.246CC..PPolyproline II helixtrans-75.4172.5165.800000111.7D106 G228D106-G237 WeakPolarHBondContact OD1-CA 3.2Å; G228-G237 WeakPolarHBondContact CA-O 2.92Å; G228-G237 PolarHBondContact N-O 3.09Å
238D93Very high90.7Very high14 Ų1443.4 Ų43.48%0.07525%0.245CC..PPolyproline II helixtrans-86.5150.7174.5-63.1-30.1000110.7R103 D106 C107 H225 D226R103-D238 IonicContact NH2-OD1 2.68Å; R103-D238 PolarHBondContact NH2-OD1 3.07Å; R103-D238 VanDerWaalsContact NH2-OD1 3.13Å; R103-D238 IonicContact NH2-OD2 2.64Å; R103-D238 PolarHBondContact NH2-OD2 2.85Å; D106-D238 CarbonylContact C-O 3.56Å; D106-D238 VanDerWaalsContact CA-O 3.3Å; D106-D238 WeakPolarHBondContact CA-O 3.46Å; D106-D238 WeakPolarHBondContact CB-O 3.17Å; D106-D238 PolarHBondContact OD1-N 3.25Å; C107-D238 PolarHBondContact N-O 3.43Å; H225-D238 VanDerWaalsContact CA-OD1 3.32Å; H225-D238 WeakPolarHBondContact CA-OD1 3.43Å; H225-D238 IonicContact ND1-OD1 3.51Å; H225-D238 PolarHBondContact ND1-OD1 3.05Å; H225-D238 IonicContact ND1-OD2 3.91Å; H225-D238 PolarHBondContact ND1-OD2 3.26Å; D226-D238 PolarHBondContact N-OD1 3.23Å
239L92.7Very high90.9Very high0 Ų049.1 Ų49.10%029%0.285CS..EExtended strand (participates in β ladder)trans-92.9117.8167.8171.871.3000108.7C107 H109 V128 I208 F224 E227 I241C107-L239 HydrophobicContact CB-CD1 4.14Å; H109-L239 VanDerWaalsContact CD2-CD1 3.49Å; H109-L239 WeakPolarHBondContact CD2-CD1 3.3Å; V128-L239 HydrophobicContact CG1-CD1 4.17Å; V128-L239 HydrophobicContact CG1-CD2 4.42Å; V128-L239 HydrophobicContact CG2-CD1 4.47Å; V128-L239 HydrophobicContact CG2-CD2 3.97Å; I208-L239 HydrophobicContact CD1-CD2 3.24Å; F224-L239 HydrophobicContact CB-CB 4.21Å; F224-L239 HydrophobicContact CD2-CD2 4.4Å; F224-L239 PolarHBondContact N-O 2.97Å; F224-L239 PolarHBondContact O-N 2.91Å; E227-L239 HydrophobicContact CB-CB 3.85Å; E227-L239 HydrophobicContact CB-CD2 4.43Å; L239-I241 HydrophobicContact CD2-CD1 4Å; L239-I241 HydrophobicContact CD2-CG1 4.39Å; L239-I241 HydrophobicContact CG-CD1 4.33Å; L239-I241 HydrophobicContact CG-CG1 4.24Å
240I94.4Very high91Very high26 Ų2651.2 Ų51.213%0.13329%0.29CS..EExtended strand (participates in β ladder)trans-108.2110.7-179.6-53.3178.2000108D106 C107 V108 H109 T221 K223D106-I240 HydrophobicContact CB-CD1 4.06Å; D106-I240 HydrophobicContact CB-CG1 4.5Å; C107-I240 PolarHBondContact O-N 2.84Å; V108-I240 CarbonylContact C-O 3.57Å; V108-I240 VanDerWaalsContact CA-O 3.29Å; V108-I240 WeakPolarHBondContact CA-O 3.33Å; V108-I240 HydrophobicContact CG2-CB 4.36Å; H109-I240 PolarHBondContact N-O 2.87Å; T221-I240 HydrophobicContact CG2-CG2 4.03Å; K223-I240 HydrophobicContact CG-CG1 4.37Å
241I94.8Very high91.3Very high0 Ų047.2 Ų47.20%028%0.275CS..EExtended strand (participates in β ladder)trans-96.5118.1175.3-69.8156.6000108.5H109 L111 L126 V210 T221 I222 F224 L239H109-I241 HydrophobicContact CB-CG1 4.3Å; H109-I241 CarbonylContact O-C 3.56Å; H109-I241 VanDerWaalsContact O-CA 3.29Å; H109-I241 WeakPolarHBondContact O-CA 3.47Å; L111-I241 HydrophobicContact CB-CG2 3.68Å; L111-I241 HydrophobicContact CD2-CG2 4.21Å; L126-I241 HydrophobicContact CD2-CD1 3.97Å; L126-I241 HydrophobicContact CD2-CG1 4.07Å; V210-I241 HydrophobicContact CG1-CD1 4.32Å; V210-I241 HydrophobicContact CG1-CG2 4.26Å; V210-I241 HydrophobicContact CG2-CD1 3.47Å; V210-I241 VanDerWaalsContact CG2-CD1 3.47Å; T221-I241 CarbonylContact C-O 3.58Å; T221-I241 VanDerWaalsContact CA-O 3.29Å; T221-I241 WeakPolarHBondContact CA-O 3.1Å; I222-I241 PolarHBondContact N-O 2.99Å; I222-I241 PolarHBondContact O-N 3.45Å; F224-I241 HydrophobicContact CD2-CD1 3.74Å; F224-I241 HydrophobicContact CE2-CD1 3.43Å; F224-I241 VanDerWaalsContact CE2-CD1 3.43Å; F224-I241 HydrophobicContact CZ-CD1 4.46Å; L239-I241 HydrophobicContact CD2-CD1 4Å; L239-I241 HydrophobicContact CD2-CG1 4.39Å; L239-I241 HydrophobicContact CG-CD1 4.33Å; L239-I241 HydrophobicContact CG-CG1 4.24Å
242T96Very high91.8Very high29 Ų2947.3 Ų47.318%0.17828%0.277CS..EExtended strand (participates in β ladder)trans-98.6125175.7-51.20000108.4H109 Q110 L111 T221H109-T242 PolarHBondContact O-N 3.3Å; Q110-T242 WeakPolarHBondContact CA-O 3.5Å; L111-T242 PolarHBondContact N-O 3.01Å; T221-T242 HydrophobicContact CG2-CG2 4.31Å
243L95.5Very high92.4Very high3 Ų346 Ų462%0.01627%0.265CS..EExtended strand (participates in β ladder)trans-74.2134.9176.7-56.6-176.4000110L111 V113 L118 M216 G219 Q220 I222L111-L243 HydrophobicContact CB-CD2 4.4Å; L111-L243 HydrophobicContact CD2-CD2 4.08Å; V113-L243 HydrophobicContact CG2-CD2 3.95Å; L118-L243 HydrophobicContact CD2-CD1 4.33Å; M216-L243 HydrophobicContact CB-CD1 3.87Å; M216-L243 HydrophobicContact CE-CD1 3.75Å; M216-L243 HydrophobicContact CG-CD1 4.4Å; M216-L243 HydrophobicContact SD-CD1 3.73Å; G219-L243 WeakPolarHBondContact CA-O 3.46Å; G219-L243 PolarHBondContact N-O 3.47Å; Q220-L243 HydrophobicContact CB-CD1 4.5Å; Q220-L243 WeakPolarHBondContact O-CG 3.38Å; Q220-L243 PolarHBondContact O-N 3.46Å; I222-L243 HydrophobicContact CD1-CD2 4.12Å
244D95.8Very high93Very high58 Ų5850 Ų5031%0.3126%0.255SS..EExtended strand (participates in β ladder)trans-121.9107176.8176.244.7000109L111 S112 V113 D218 Q246L111-D244 PolarHBondContact O-N 2.73Å; S112-D244 CarbonylContact C-O 3.55Å; S112-D244 WeakPolarHBondContact CA-O 3.32Å; V113-D244 PolarHBondContact N-O 3.11Å; D218-D244 WeakPolarHBondContact OD1-CA 3.35Å; D244-Q246 PolarHBondContact O-N 3.28Å; D244-Q246 PolarHBondContact OD2-NE2 3.17Å; D244-Q246 VanDerWaalsContact OD2-NE2 3.11Å
245E95.2Very high93.4Very high38 Ų3858.1 Ų58.118%0.17828%0.282CS..EExtended strand (participates in β ladder)trans-71.6117.6-177.1-177.6175.3139.300111.1L115 L118 D218 R253L115-E245 WeakPolarHBondContact CD1-OE1 3.27Å; L118-E245 HydrophobicContact CD1-CB 4.12Å; L118-E245 HydrophobicContact CD1-CG 3.83Å; D218-E245 HydrophobicContact CB-CB 3.82Å; D218-E245 PolarHBondContact OD1-N 3.03Å; E245-R253 WeakPolarHBondContact OE1-CB 3.5Å; E245-R253 VanDerWaalsContact OE1-CD 3.29Å; E245-R253 WeakPolarHBondContact OE1-CD 3.44Å; E245-R253 WeakPolarHBondContact OE2-CD 3.23Å; E245-R253 IonicContact OE2-CZ 2.78Å; E245-R253 IonicContact OE2-NE 3.11Å; E245-R253 IonicContact OE2-NH1 2.93Å; E245-R253 PolarHBondContact OE2-NH1 2.98Å
246Q95.3Very high93.8Very high70 Ų7056.2 Ų56.233%0.32728%0.275SS..PPolyproline II helixtrans-72.7138.8177.3-65.1-58.8-63.700111.3S112 V113 D244 H248S112-Q246 VanDerWaalsContact CB-NE2 3.34Å; S112-Q246 PolarHBondContact OG-NE2 2.83Å; V113-Q246 PolarHBondContact O-N 2.97Å; D244-Q246 PolarHBondContact O-N 3.28Å; D244-Q246 PolarHBondContact OD2-NE2 3.17Å; D244-Q246 VanDerWaalsContact OD2-NE2 3.11Å; Q246-H248 PolarHBondContact O-N 2.92Å
247P94.6Very high94.1Very high120 Ų12056.9 Ų56.978%0.77928%0.277SS*.PPolyproline II helixtrans-60.4129.8176.125.8-33.4000110.1
248H93.8Very high94.4Very high39 Ų3957 Ų5718%0.18128%0.278CS..PPolyproline II helixtrans-100.2138.3-178.9-174.4-91.5000110.9L115 E116 Q246 R250 F251L115-H248 HydrophobicContact CB-CB 4.12Å; L115-H248 HydrophobicContact CD2-CB 4.02Å; E116-H248 IonicContact OE1-NE2 3.86Å; Q246-H248 PolarHBondContact O-N 2.92Å; H248-R250 VanDerWaalsContact C-N 3.34Å; H248-R250 PolarHBondContact ND1-N 2.9Å; H248-R250 VanDerWaalsContact ND1-N 3.18Å; H248-R250 PolarHBondContact O-N 3.47Å; H248-F251 WeakPolarHBondContact CB-O 3.4Å; H248-F251 AromaticContact CE1-CD2 3.52Å; H248-F251 AromaticContact ND1-CD2 3.61Å; H248-F251 PolarHBondContact ND1-N 2.73Å; H248-F251 VanDerWaalsContact ND1-N 3.15Å
249S91.9Very high94.5Very high121 Ų12158 Ų5885%0.84628%0.283SS*.SBendtrans-65.8-32.2-173.657.30000114
250R92.2Very high94.6Very high83 Ų8359.4 Ų59.431%0.31329%0.29SS..SBendtrans-101.5-25.3-177.9-49.1-164.3-47.5-118.4-2.8114.6H248 H260 R278 T279H248-R250 VanDerWaalsContact C-N 3.34Å; H248-R250 PolarHBondContact ND1-N 2.9Å; H248-R250 VanDerWaalsContact ND1-N 3.18Å; H248-R250 PolarHBondContact O-N 3.47Å; R250-H260 PolarHBondContact O-ND1 3.12Å; R250-R278 PolarHBondContact NH2-O 2.97Å; R250-T279 PolarHBondContact NH2-O 3.4Å
251F95.5Very high94.7Very high5 Ų561 Ų612%0.02230%0.3CS..  trans-132.2135.2-164.4-65.1-60.6000109.7L115 H248 I259 H260 I277 R278 L280 L320L115-F251 HydrophobicContact CD2-CB 3.7Å; H248-F251 WeakPolarHBondContact CB-O 3.4Å; H248-F251 AromaticContact CE1-CD2 3.52Å; H248-F251 AromaticContact ND1-CD2 3.61Å; H248-F251 PolarHBondContact ND1-N 2.73Å; H248-F251 VanDerWaalsContact ND1-N 3.15Å; F251-I259 CarbonylContact C-O 3.52Å; F251-I259 WeakPolarHBondContact CA-O 3.3Å; F251-H260 HydrophobicContact CD1-CB 3.83Å; F251-H260 HydrophobicContact CE1-CB 3.82Å; F251-H260 AromaticContact CE1-CG 3.95Å; F251-H260 AromaticContact CE1-ND1 3.98Å; F251-I277 HydrophobicContact CE1-CG2 4.15Å; F251-I277 HydrophobicContact CZ-CG2 3.88Å; F251-R278 VanDerWaalsContact CZ-O 3.28Å; F251-R278 WeakPolarHBondContact CZ-O 3.25Å; F251-L280 HydrophobicContact CD2-CD2 3.75Å; F251-L280 HydrophobicContact CD2-CG 4.07Å; F251-L280 HydrophobicContact CE2-CD2 4Å; F251-L280 HydrophobicContact CE2-CG 4.05Å; F251-L320 HydrophobicContact CD1-CD1 4.12Å; F251-L320 HydrophobicContact CE1-CD1 3.83Å
252I95.4Very high94.6Very high93 Ų9361.4 Ų61.448%0.47730%0.302SS..EExtended strand (participates in β ladder)trans-110.9115.8172.8-60.2170.8000106.8I259I252-I259 HydrophobicContact CB-CB 4.29Å; I252-I259 PolarHBondContact N-O 3.49Å; I252-I259 PolarHBondContact O-N 2.83Å
253R94.8Very high94.5Very high26 Ų2666.3 Ų66.310%0.09832%0.323CS..EExtended strand (participates in β ladder)trans-74.2132176.6-169.8-172.7179168.43.1110.4L115 M216 E245 R255 L258 M308L115-R253 HydrophobicContact CD1-CB 3.99Å; L115-R253 HydrophobicContact CD1-CG 4.24Å; M216-R253 VanDerWaalsContact O-CZ 3.3Å; M216-R253 PolarHBondContact O-NH1 3.09Å; M216-R253 PolarHBondContact O-NH2 3.32Å; E245-R253 WeakPolarHBondContact OE1-CB 3.5Å; E245-R253 VanDerWaalsContact OE1-CD 3.29Å; E245-R253 WeakPolarHBondContact OE1-CD 3.44Å; E245-R253 WeakPolarHBondContact OE2-CD 3.23Å; E245-R253 IonicContact OE2-CZ 2.78Å; E245-R253 IonicContact OE2-NE 3.11Å; E245-R253 IonicContact OE2-NH1 2.93Å; E245-R253 PolarHBondContact OE2-NH1 2.98Å; R253-R255 WeakPolarHBondContact CG-O 3.47Å; R253-R255 PolarHBondContact NE-O 3Å; R253-L258 HydrophobicContact CB-CD2 4.21Å; R253-L258 HydrophobicContact CG-CD2 4.3Å; R253-M308 HydrophobicContact CG-CG 4.03Å
254R94.2Very high94.4Very high167 Ų16766.2 Ų66.263%0.6332%0.323SS*.EExtended strand (participates in β ladder)trans-12795.8167.4-69.2-60.9-169.3-162.90.9108.6N256 D257 I259R254-N256 PolarHBondContact O-N 3.47Å; R254-N256 VanDerWaalsContact O-N 3.1Å; R254-D257 CarbonylContact C-O 3.17Å; R254-D257 PolarHBondContact N-O 2.68Å; R254-D257 PolarHBondContact O-N 3.29Å; R254-I259 HydrophobicContact CB-CD1 4.38Å; R254-I259 HydrophobicContact CG-CD1 3.5Å; R254-I259 HydrophobicContact CG-CG1 4.2Å
255R91.8Very high94.3Very high226 Ų22665.3 Ų65.385%0.85332%0.321SS*.THydrogen-bonded Turntrans58.5-108.5-173.9-57.2177175.7177.3-1.6110.9R253R253-R255 WeakPolarHBondContact CG-O 3.47Å; R253-R255 PolarHBondContact NE-O 3Å
256N93Very high94.1Very high47 Ų4766 Ų6625%0.25133%0.326SS..THydrogen-bonded Turntrans-99-11.2177.4-58.1-28.4000112.1R254 M308 G318R254-N256 PolarHBondContact O-N 3.47Å; R254-N256 VanDerWaalsContact O-N 3.1Å; N256-M308 WeakPolarHBondContact O-CB 3.49Å; N256-M308 PolarHBondContact O-N 2.77Å; N256-G318 WeakPolarHBondContact O-CA 3.38Å
257D95.5Very high93.8Very high29 Ų2966.2 Ų66.216%0.15534%0.335CS..EExtended strand (participates in β ladder)trans-90.9148.8179.4-63.4-20.2000109.7R254 R319 I321R254-D257 CarbonylContact C-O 3.17Å; R254-D257 PolarHBondContact N-O 2.68Å; R254-D257 PolarHBondContact O-N 3.29Å; D257-R319 CarbonylContact C-O 3.45Å; D257-R319 WeakPolarHBondContact CA-O 3.39Å; D257-R319 WeakPolarHBondContact CB-O 3.28Å; D257-R319 PolarHBondContact OD1-N 2.66Å; D257-R319 IonicContact OD1-NE 2.72Å; D257-R319 IonicContact OD2-CZ 2.85Å; D257-R319 IonicContact OD2-NE 3.32Å; D257-R319 PolarHBondContact OD2-NE 3.01Å; D257-R319 IonicContact OD2-NH2 3.6Å; D257-R319 PolarHBondContact OD2-NH2 3.47Å; D257-I321 HydrophobicContact CB-CD1 4.03Å; D257-I321 HydrophobicContact CB-CG1 4.5Å
258L96.2Very high93.7Very high3 Ų362.4 Ų62.42%0.01631%0.307CS..EExtended strand (participates in β ladder)trans-110136.6173.8-68.4176.7000108.8L115 R253 L280 M308 R319 L320 I321L115-L258 HydrophobicContact CD1-CD2 4.34Å; L115-L258 HydrophobicContact CD2-CD2 3.84Å; L115-L258 HydrophobicContact CG-CD2 4.49Å; R253-L258 HydrophobicContact CB-CD2 4.21Å; R253-L258 HydrophobicContact CG-CD2 4.3Å; L258-L280 HydrophobicContact CD1-CD1 3.6Å; L258-L280 HydrophobicContact CD1-CG 4.47Å; L258-L280 HydrophobicContact CD2-CD1 4.47Å; L258-M308 HydrophobicContact CD1-CG 4.45Å; L258-M308 HydrophobicContact CD1-SD 4.37Å; L258-M308 HydrophobicContact CD2-CG 3.67Å; L258-M308 HydrophobicContact CD2-SD 3.96Å; L258-M308 HydrophobicContact CG-CG 4Å; L258-M308 HydrophobicContact CG-SD 4.45Å; L258-R319 PolarHBondContact N-O 3.47Å; L258-L320 HydrophobicContact CB-CD1 3.74Å; L258-L320 CarbonylContact O-C 3.57Å; L258-L320 WeakPolarHBondContact O-CA 3.43Å; L258-I321 PolarHBondContact O-N 3.42Å
259I96.2Very high93.6Very high35 Ų3560.6 Ų60.618%0.17930%0.299CS..EExtended strand (participates in β ladder)trans-108.2127.8174.2-57.9177000108.7F251 I252 R254 I321F251-I259 CarbonylContact C-O 3.52Å; F251-I259 WeakPolarHBondContact CA-O 3.3Å; I252-I259 HydrophobicContact CB-CB 4.29Å; I252-I259 PolarHBondContact N-O 3.49Å; I252-I259 PolarHBondContact O-N 2.83Å; R254-I259 HydrophobicContact CB-CD1 4.38Å; R254-I259 HydrophobicContact CG-CD1 3.5Å; R254-I259 HydrophobicContact CG-CG1 4.2Å; I259-I321 CarbonylContact C-O 3.56Å; I259-I321 VanDerWaalsContact CA-O 3.27Å; I259-I321 WeakPolarHBondContact CA-O 3.34Å; I259-I321 HydrophobicContact CG1-CB 4.23Å
260H95.4Very high93.5Very high30 Ų3057.7 Ų57.714%0.13927%0.273CS..EExtended strand (participates in β ladder)trans-122.5131.7172.4-174.557000109.6R250 F251 I262 I277 L320 I321 I322 K323R250-H260 PolarHBondContact O-ND1 3.12Å; F251-H260 HydrophobicContact CD1-CB 3.83Å; F251-H260 HydrophobicContact CE1-CB 3.82Å; F251-H260 AromaticContact CE1-CG 3.95Å; F251-H260 AromaticContact CE1-ND1 3.98Å; H260-I262 VanDerWaalsContact CD2-CG1 3.5Å; H260-I262 WeakPolarHBondContact CD2-CG1 3.47Å; H260-I277 WeakPolarHBondContact CD2-CD1 3.44Å; H260-L320 HydrophobicContact CB-CD1 4.17Å; H260-I321 PolarHBondContact N-O 3.19Å; H260-I322 CarbonylContact O-C 3.53Å; H260-I322 WeakPolarHBondContact O-CA 3.26Å; H260-K323 PolarHBondContact O-N 3.43Å
261T94.7Very high93.3Very high58 Ų5858.6 Ų58.636%0.35629%0.291SS..EExtended strand (participates in β ladder)trans-95.7122.7174.2-53.60000108.9K323 D325T261-K323 CarbonylContact C-O 3.58Å; T261-K323 WeakPolarHBondContact CA-O 3.21Å; T261-K323 HydrophobicContact CG2-CD 4.45Å; T261-D325 HydrophobicContact CG2-CB 4.06Å
262I93.5Very high93.1Very high9 Ų959.3 Ų59.35%0.04630%0.3CS..EExtended strand (participates in β ladder)trans-105.9127.3171.2-64.1-177.1000108.6H260 L264 R275 I277 I287 I322 K323 F324 D325H260-I262 VanDerWaalsContact CD2-CG1 3.5Å; H260-I262 WeakPolarHBondContact CD2-CG1 3.47Å; I262-L264 HydrophobicContact CG2-CD2 3.74Å; I262-L264 HydrophobicContact CG2-CG 4.09Å; I262-R275 HydrophobicContact CG2-CG 4.27Å; I262-I277 HydrophobicContact CD1-CD1 4.01Å; I262-I277 HydrophobicContact CD1-CG1 4.19Å; I262-I287 HydrophobicContact CD1-CD1 4.22Å; I262-I322 HydrophobicContact CB-CG2 4.28Å; I262-I322 HydrophobicContact CD1-CG2 3.69Å; I262-I322 HydrophobicContact CG1-CG2 3.84Å; I262-K323 PolarHBondContact N-O 3.47Å; I262-F324 HydrophobicContact CB-CD1 4.42Å; I262-D325 PolarHBondContact O-N 3.48Å
263E93.7Very high92.9Very high132 Ų13255.5 Ų55.562%0.61728%0.28SS*.EExtended strand (participates in β ladder)trans-82.8125168.6-65.6176.5-175.400110.2D325 V327E263-D325 CarbonylContact C-O 3.55Å; E263-D325 VanDerWaalsContact CA-O 3.29Å; E263-D325 WeakPolarHBondContact CA-O 3.49Å; E263-V327 HydrophobicContact CB-CG2 4.34Å
264L93.5Very high92.8Very high2 Ų260.5 Ų60.51%0.0130%0.304CS..EExtended strand (participates in β ladder)trans-118.4143.7176.1-64.4-178.6000110.1I262 E268 F273 R275 F324 D325 I326 V327I262-L264 HydrophobicContact CG2-CD2 3.74Å; I262-L264 HydrophobicContact CG2-CG 4.09Å; L264-E268 HydrophobicContact CB-CB 4.33Å; L264-E268 HydrophobicContact CD2-CB 4.38Å; L264-F273 HydrophobicContact CD1-CD1 3.54Å; L264-F273 HydrophobicContact CD1-CE1 3.46Å; L264-F273 VanDerWaalsContact CD1-CE1 3.46Å; L264-F273 HydrophobicContact CD1-CG 4.25Å; L264-F273 HydrophobicContact CD1-CZ 4.1Å; L264-F273 HydrophobicContact CD2-CB 4.11Å; L264-F273 HydrophobicContact CD2-CD1 3.86Å; L264-F273 HydrophobicContact CD2-CD2 3.88Å; L264-F273 HydrophobicContact CD2-CE1 4.25Å; L264-F273 HydrophobicContact CD2-CE2 4.26Å; L264-F273 HydrophobicContact CD2-CG 3.67Å; L264-F273 HydrophobicContact CD2-CZ 4.45Å; L264-F273 HydrophobicContact CG-CD1 4.38Å; L264-R275 HydrophobicContact CD2-CG 4.34Å; L264-F324 HydrophobicContact CD1-CB 4.45Å; L264-F324 HydrophobicContact CD1-CD1 3.44Å; L264-F324 VanDerWaalsContact CD1-CD1 3.44Å; L264-F324 HydrophobicContact CD1-CE1 4.07Å; L264-F324 HydrophobicContact CD1-CG 4.25Å; L264-F324 HydrophobicContact CG-CD1 4.08Å; L264-D325 PolarHBondContact N-O 3.03Å; L264-I326 CarbonylContact O-C 3.51Å; L264-I326 VanDerWaalsContact O-CA 3.28Å; L264-I326 WeakPolarHBondContact O-CA 3.35Å; L264-V327 PolarHBondContact O-N 2.8Å
265S93.2Very high92.7Very high39 Ų3956.7 Ų56.727%0.27329%0.29SS..EExtended strand (participates in β ladder)trans-72156.8165.4600000111.2S267 E268 A269S265-S267 PolarHBondContact O-N 3.07Å; S265-S267 PolarHBondContact OG-OG 3.31Å; S265-S267 VanDerWaalsContact OG-OG 3.06Å; S265-E268 PolarHBondContact N-OE2 2.93Å; S265-E268 WeakPolarHBondContact O-CB 3.39Å; S265-E268 PolarHBondContact O-N 2.98Å; S265-E268 VanDerWaalsContact OG-CB 3.3Å; S265-E268 WeakPolarHBondContact OG-CB 3.47Å; S265-E268 WeakPolarHBondContact OG-CG 3.34Å; S265-E268 PolarHBondContact OG-N 3.34Å; S265-E268 PolarHBondContact OG-OE2 3.49Å; S265-A269 PolarHBondContact O-N 3.3Å
266L91.3Very high92.8Very high51 Ų5150.5 Ų50.527%0.26728%0.277SS..Hα-helixtrans-54.4-37.9174.9-17862.9000112.5A269 L270 I326 V327 F328L266-A269 PolarHBondContact O-N 2.79Å; L266-L270 HydrophobicContact CD1-CD1 4.06Å; L266-L270 HydrophobicContact CD1-CG 4.35Å; L266-L270 HydrophobicContact CG-CD1 4.08Å; L266-L270 WeakPolarHBondContact O-CG 3.33Å; L266-L270 PolarHBondContact O-N 3.21Å; L266-I326 HydrophobicContact CB-CG2 4.32Å; L266-I326 HydrophobicContact CD1-CG2 4.31Å; L266-V327 PolarHBondContact N-O 3.47Å; L266-F328 HydrophobicContact CD1-CE1 3.98Å; L266-F328 HydrophobicContact CD1-CZ 4.2Å; L266-F328 HydrophobicContact CD2-CD1 4.03Å; L266-F328 HydrophobicContact CD2-CE1 4.01Å
267S89.9Confident92.8Very high75 Ų7548.5 Ų48.552%0.52427%0.266SS..Hα-helixtrans-65.2-41.6175.244.40000112.7S265 A269 L270 C271S265-S267 PolarHBondContact O-N 3.07Å; S265-S267 PolarHBondContact OG-OG 3.31Å; S265-S267 VanDerWaalsContact OG-OG 3.06Å; S267-A269 VanDerWaalsContact C-N 3.34Å; S267-L270 PolarHBondContact O-N 2.71Å; S267-C271 VanDerWaalsContact O-CB 3.3Å; S267-C271 WeakPolarHBondContact O-CB 3.31Å; S267-C271 PolarHBondContact O-N 3.02Å
268E92Very high92.7Very high40 Ų4055.1 Ų55.119%0.18729%0.289CS..Hα-helixtrans-67.9-36.2177.7-80.3168.4150.200111.8L264 S265 L270 G272 F273 R275L264-E268 HydrophobicContact CB-CB 4.33Å; L264-E268 HydrophobicContact CD2-CB 4.38Å; S265-E268 PolarHBondContact N-OE2 2.93Å; S265-E268 WeakPolarHBondContact O-CB 3.39Å; S265-E268 PolarHBondContact O-N 2.98Å; S265-E268 VanDerWaalsContact OG-CB 3.3Å; S265-E268 WeakPolarHBondContact OG-CB 3.47Å; S265-E268 WeakPolarHBondContact OG-CG 3.34Å; S265-E268 PolarHBondContact OG-N 3.34Å; S265-E268 PolarHBondContact OG-OE2 3.49Å; E268-L270 VanDerWaalsContact C-N 3.32Å; E268-L270 PolarHBondContact O-N 3.16Å; E268-G272 CarbonylContact O-C 3.55Å; E268-G272 VanDerWaalsContact O-CA 3.23Å; E268-G272 WeakPolarHBondContact O-CA 3.46Å; E268-G272 PolarHBondContact O-N 2.93Å; E268-G272 VanDerWaalsContact O-N 3.09Å; E268-F273 HydrophobicContact CB-CB 3.89Å; E268-F273 HydrophobicContact CG-CB 4.05Å; E268-R275 IonicContact OE1-CZ 3.38Å; E268-R275 IonicContact OE1-NH1 2.89Å; E268-R275 PolarHBondContact OE1-NH1 3.04Å; E268-R275 IonicContact OE1-NH2 3.88Å; E268-R275 PolarHBondContact OE1-NH2 3.13Å; E268-R275 IonicContact OE2-CZ 3.59Å; E268-R275 IonicContact OE2-NH2 3.21Å; E268-R275 PolarHBondContact OE2-NH2 2.98Å
269A92.2Very high92.5Very high1 Ų155.2 Ų55.21%0.00829%0.29CS..Hα-helixtrans-68.6-28176.900000113.4S265 L266 S267 V294 Y295 I326S265-A269 PolarHBondContact O-N 3.3Å; L266-A269 PolarHBondContact O-N 2.79Å; S267-A269 VanDerWaalsContact C-N 3.34Å; A269-V294 WeakPolarHBondContact O-CA 3.27Å; A269-Y295 PolarHBondContact O-N 3.35Å; A269-I326 HydrophobicContact CB-CD1 3.66Å; A269-I326 HydrophobicContact CB-CG1 3.85Å; A269-I326 HydrophobicContact CB-CG2 4.12Å
270L90.5Very high92.3Very high61 Ų6153.8 Ų53.832%0.31928%0.282SS..Hα-helixtrans-97-43.3-178.3-67.7173.9000113.8L266 S267 E268 V294 L346L266-L270 HydrophobicContact CD1-CD1 4.06Å; L266-L270 HydrophobicContact CD1-CG 4.35Å; L266-L270 HydrophobicContact CG-CD1 4.08Å; L266-L270 WeakPolarHBondContact O-CG 3.33Å; L266-L270 PolarHBondContact O-N 3.21Å; S267-L270 PolarHBondContact O-N 2.71Å; E268-L270 VanDerWaalsContact C-N 3.32Å; E268-L270 PolarHBondContact O-N 3.16Å; L270-V294 HydrophobicContact CD2-CG1 3.85Å; L270-V294 HydrophobicContact CD2-CG2 4.18Å; L270-L346 HydrophobicContact CD1-CD2 4.08Å
271C88.1Confident92Very high102 Ų10254.1 Ų54.169%0.68929%0.285SS*.Hα-helixtrans-93.6-14.4-175.1-61.20000112.9S267S267-C271 VanDerWaalsContact O-CB 3.3Å; S267-C271 WeakPolarHBondContact O-CB 3.31Å; S267-C271 PolarHBondContact O-N 3.02Å
272G90.2Very high91.8Very high19 Ų1958 Ų5820%0.19630%0.304CS..  trans103162.4-173.400000113.5E268 S289E268-G272 CarbonylContact O-C 3.55Å; E268-G272 VanDerWaalsContact O-CA 3.23Å; E268-G272 WeakPolarHBondContact O-CA 3.46Å; E268-G272 PolarHBondContact O-N 2.93Å; E268-G272 VanDerWaalsContact O-N 3.09Å; G272-S289 VanDerWaalsContact C-OG 3.31Å; G272-S289 WeakPolarHBondContact CA-OG 3.22Å
273F92.2Very high91.7Very high13 Ų1362.2 Ų62.26%0.05732%0.319CS..  trans-143.6159.6-177.569-90000111.9L264 E268 R275 I287 S289 Y295 F324L264-F273 HydrophobicContact CD1-CD1 3.54Å; L264-F273 HydrophobicContact CD1-CE1 3.46Å; L264-F273 VanDerWaalsContact CD1-CE1 3.46Å; L264-F273 HydrophobicContact CD1-CG 4.25Å; L264-F273 HydrophobicContact CD1-CZ 4.1Å; L264-F273 HydrophobicContact CD2-CB 4.11Å; L264-F273 HydrophobicContact CD2-CD1 3.86Å; L264-F273 HydrophobicContact CD2-CD2 3.88Å; L264-F273 HydrophobicContact CD2-CE1 4.25Å; L264-F273 HydrophobicContact CD2-CE2 4.26Å; L264-F273 HydrophobicContact CD2-CG 3.67Å; L264-F273 HydrophobicContact CD2-CZ 4.45Å; L264-F273 HydrophobicContact CG-CD1 4.38Å; E268-F273 HydrophobicContact CB-CB 3.89Å; E268-F273 HydrophobicContact CG-CB 4.05Å; F273-R275 HydrophobicContact CD2-CB 3.98Å; F273-R275 HydrophobicContact CD2-CG 3.66Å; F273-R275 HydrophobicContact CE2-CB 4.17Å; F273-R275 HydrophobicContact CE2-CG 4.18Å; F273-I287 HydrophobicContact CE2-CG2 3.83Å; F273-I287 HydrophobicContact CZ-CG2 4.13Å; F273-S289 PolarHBondContact N-OG 3.17Å; F273-S289 PolarHBondContact O-N 3.35Å; F273-S289 VanDerWaalsContact O-N 3.08Å; F273-S289 PolarHBondContact O-OG 2.78Å; F273-Y295 HydrophobicContact CD1-CD2 4.37Å; F273-Y295 HydrophobicContact CD1-CE2 4.2Å; F273-Y295 AromaticContact CE1-CD2 3.84Å; F273-Y295 HydrophobicContact CE1-CD2 3.84Å; F273-Y295 HydrophobicContact CE1-CE1 4.38Å; F273-Y295 AromaticContact CE1-CE2 3.56Å; F273-Y295 HydrophobicContact CE1-CE2 3.56Å; F273-Y295 HydrophobicContact CE1-CG 4.37Å; F273-Y295 AromaticContact CE1-CZ 3.85Å; F273-F324 AromaticContact CE1-CE1 3.98Å; F273-F324 HydrophobicContact CE1-CE1 3.98Å; F273-F324 HydrophobicContact CE2-CE1 4.31Å; F273-F324 HydrophobicContact CZ-CD1 4.31Å; F273-F324 AromaticContact CZ-CE1 3.44Å; F273-F324 HydrophobicContact CZ-CE1 3.44Å; F273-F324 VanDerWaalsContact CZ-CE1 3.44Å; F273-F324 HydrophobicContact CZ-CZ 4.07Å
274Q92.5Very high91.7Very high131 Ų13159.8 Ų59.861%0.61231%0.314SS*.EExtended strand (participates in β ladder)trans-124.9121.7165177.3165.75700108V286 I287 N288Q274-V286 HydrophobicContact CG-CG1 3.97Å; Q274-I287 WeakPolarHBondContact CA-O 3.46Å; Q274-N288 VanDerWaalsContact CG-OD1 3.3Å; Q274-N288 WeakPolarHBondContact CG-OD1 3.23Å; Q274-N288 PolarHBondContact NE2-OD1 3.22Å
275R92.1Very high91.7Very high88 Ų8861.3 Ų61.333%0.33232%0.321SS..EExtended strand (participates in β ladder)trans-132151.1179.4-76.5-68.1-167.6-100.7-3.1110.1I262 L264 E268 F273 I287I262-R275 HydrophobicContact CG2-CG 4.27Å; L264-R275 HydrophobicContact CD2-CG 4.34Å; E268-R275 IonicContact OE1-CZ 3.38Å; E268-R275 IonicContact OE1-NH1 2.89Å; E268-R275 PolarHBondContact OE1-NH1 3.04Å; E268-R275 IonicContact OE1-NH2 3.88Å; E268-R275 PolarHBondContact OE1-NH2 3.13Å; E268-R275 IonicContact OE2-CZ 3.59Å; E268-R275 IonicContact OE2-NH2 3.21Å; E268-R275 PolarHBondContact OE2-NH2 2.98Å; F273-R275 HydrophobicContact CD2-CB 3.98Å; F273-R275 HydrophobicContact CD2-CG 3.66Å; F273-R275 HydrophobicContact CE2-CB 4.17Å; F273-R275 HydrophobicContact CE2-CG 4.18Å; R275-I287 PolarHBondContact N-O 2.95Å; R275-I287 PolarHBondContact O-N 2.69Å
276T93.3Very high91.7Very high95 Ų9563.2 Ų63.258%0.58333%0.332SS*.EExtended strand (participates in β ladder)trans-111.7132.717556.30000109.8T284 L285 V286T276-T284 HydrophobicContact CG2-CG2 4.18Å; T276-L285 CarbonylContact C-O 3.14Å; T276-L285 VanDerWaalsContact CA-O 3.31Å; T276-L285 WeakPolarHBondContact CA-O 3.18Å; T276-V286 HydrophobicContact CG2-CG2 4.2Å
277I93.3Very high91.7Very high5 Ų561.8 Ų61.83%0.02632%0.324CS..EExtended strand (participates in β ladder)trans-111.8129.7170.2-65.9177.3000107.4F251 H260 I262 L285 I287 L320 I322F251-I277 HydrophobicContact CE1-CG2 4.15Å; F251-I277 HydrophobicContact CZ-CG2 3.88Å; H260-I277 WeakPolarHBondContact CD2-CD1 3.44Å; I262-I277 HydrophobicContact CD1-CD1 4.01Å; I262-I277 HydrophobicContact CD1-CG1 4.19Å; I277-L285 PolarHBondContact N-O 2.88Å; I277-L285 PolarHBondContact O-N 2.91Å; I277-I287 HydrophobicContact CB-CD1 4.31Å; I277-I287 HydrophobicContact CD1-CD1 3.13Å; I277-I287 HydrophobicContact CG1-CD1 3.55Å; I277-L320 HydrophobicContact CD1-CD2 4.24Å; I277-I322 HydrophobicContact CD1-CD1 4.18Å; I277-I322 HydrophobicContact CD1-CG1 4.31Å
278R93.4Very high91.8Very high169 Ų16962.9 Ų62.964%0.63832%0.324SS*.EExtended strand (participates in β ladder)trans-79.5130.1163.2-67.3-175.6176.4-173.9-0.9108.6R250 F251 R283R250-R278 PolarHBondContact NH2-O 2.97Å; F251-R278 VanDerWaalsContact CZ-O 3.28Å; F251-R278 WeakPolarHBondContact CZ-O 3.25Å; R278-R283 CarbonylContact C-O 3.14Å; R278-R283 WeakPolarHBondContact CA-O 3.32Å
279T92.3Very high91.7Very high5 Ų561.7 Ų61.73%0.03132%0.32CS..  trans-82.5-176175.447.70000110.7R250 D281 R283 L285R250-T279 PolarHBondContact NH2-O 3.4Å; T279-D281 VanDerWaalsContact C-N 3.33Å; T279-D281 WeakPolarHBondContact CB-OD1 3.39Å; T279-D281 PolarHBondContact OG1-OD1 2.99Å; T279-R283 PolarHBondContact N-O 3.12Å; T279-R283 WeakPolarHBondContact OG1-CA 3.24Å; T279-R283 WeakPolarHBondContact OG1-CB 3.38Å; T279-R283 PolarHBondContact OG1-N 3.4Å; T279-R283 PolarHBondContact OG1-O 3.37Å; T279-L285 HydrophobicContact CG2-CD1 3.38Å; T279-L285 HydrophobicContact CG2-CG 3.64Å
280L91.5Very high91.5Very high4 Ų471 Ų712%0.02136%0.355CS..THydrogen-bonded Turntrans-81.4-11.8178.2-67.2169.5000113.3L115 E116 Y119 N120 F251 L258 M308L115-L280 HydrophobicContact CB-CD2 4.44Å; L115-L280 HydrophobicContact CD2-CD1 3.94Å; L115-L280 HydrophobicContact CD2-CD2 4.18Å; L115-L280 HydrophobicContact CG-CD1 3.76Å; L115-L280 HydrophobicContact CG-CD2 4.21Å; E116-L280 HydrophobicContact CG-CD2 3.66Å; Y119-L280 HydrophobicContact CD1-CB 3.96Å; Y119-L280 HydrophobicContact CD2-CB 3.9Å; Y119-L280 HydrophobicContact CD2-CD1 3.6Å; Y119-L280 HydrophobicContact CD2-CG 4.37Å; Y119-L280 HydrophobicContact CE2-CB 4.39Å; Y119-L280 HydrophobicContact CE2-CD1 4.37Å; Y119-L280 HydrophobicContact CG-CB 3.64Å; Y119-L280 HydrophobicContact CG-CD1 3.95Å; Y119-L280 HydrophobicContact CG-CG 4.47Å; N120-L280 PolarHBondContact ND2-O 3.47Å; F251-L280 HydrophobicContact CD2-CD2 3.75Å; F251-L280 HydrophobicContact CD2-CG 4.07Å; F251-L280 HydrophobicContact CE2-CD2 4Å; F251-L280 HydrophobicContact CE2-CG 4.05Å; L258-L280 HydrophobicContact CD1-CD1 3.6Å; L258-L280 HydrophobicContact CD1-CG 4.47Å; L258-L280 HydrophobicContact CD2-CD1 4.47Å; L280-M308 HydrophobicContact CD1-SD 3.96Å
281D89.5Confident91Very high38 Ų3874.2 Ų74.220%0.20338%0.379CS..THydrogen-bonded Turntrans-10524.3174.958.1-2.2000112.6Y119 T279 R283Y119-D281 HydrophobicContact CD1-CB 4.25Å; Y119-D281 HydrophobicContact CE1-CB 3.74Å; T279-D281 VanDerWaalsContact C-N 3.33Å; T279-D281 WeakPolarHBondContact CB-OD1 3.39Å; T279-D281 PolarHBondContact OG1-OD1 2.99Å; D281-R283 VanDerWaalsContact CG-NE 3.33Å; D281-R283 PolarHBondContact O-N 2.9Å; D281-R283 IonicContact OD1-CZ 2.94Å; D281-R283 IonicContact OD1-NE 3.68Å; D281-R283 PolarHBondContact OD1-NE 3.15Å; D281-R283 IonicContact OD1-NH2 3.62Å; D281-R283 IonicContact OD2-CZ 2.72Å; D281-R283 IonicContact OD2-NE 2.79Å; D281-R283 PolarHBondContact OD2-NE 3.27Å; D281-R283 IonicContact OD2-NH2 3.83Å; D281-R283 PolarHBondContact OD2-NH2 3.37Å
282D89.4Confident90.7Very high138 Ų13872.5 Ų72.574%0.73838%0.379SS*.SBendtrans60.98179.7-62.4-46000116.4
283R91.9Very high90.7Very high98 Ų9873.9 Ų73.937%0.3738%0.381SS..  trans-70.8154.4169.1-62.3-175.6-71.4131.29.1110.4R278 T279 D281 E306R278-R283 CarbonylContact C-O 3.14Å; R278-R283 WeakPolarHBondContact CA-O 3.32Å; T279-R283 PolarHBondContact N-O 3.12Å; T279-R283 WeakPolarHBondContact OG1-CA 3.24Å; T279-R283 WeakPolarHBondContact OG1-CB 3.38Å; T279-R283 PolarHBondContact OG1-N 3.4Å; T279-R283 PolarHBondContact OG1-O 3.37Å; D281-R283 VanDerWaalsContact CG-NE 3.33Å; D281-R283 PolarHBondContact O-N 2.9Å; D281-R283 IonicContact OD1-CZ 2.94Å; D281-R283 IonicContact OD1-NE 3.68Å; D281-R283 PolarHBondContact OD1-NE 3.15Å; D281-R283 IonicContact OD1-NH2 3.62Å; D281-R283 IonicContact OD2-CZ 2.72Å; D281-R283 IonicContact OD2-NE 2.79Å; D281-R283 PolarHBondContact OD2-NE 3.27Å; D281-R283 IonicContact OD2-NH2 3.83Å; D281-R283 PolarHBondContact OD2-NH2 3.37Å; R283-E306 IonicContact CZ-OE1 3.02Å; R283-E306 IonicContact CZ-OE2 3.61Å; R283-E306 IonicContact NH1-OE1 3.21Å; R283-E306 PolarHBondContact NH1-OE1 2.81Å; R283-E306 IonicContact NH1-OE2 2.6Å; R283-E306 IonicContact NH2-OE1 2.93Å; R283-E306 PolarHBondContact NH2-OE1 2.72Å; R283-E306 IonicContact NH2-OE2 2.79Å; R283-E306 PolarHBondContact NH2-OE2 3.24Å
284T93.5Very high90.6Very high82 Ų8276.7 Ų76.750%0.50340%0.399SS..EExtended strand (participates in β ladder)trans-111.8115.4173.8-59.90000109T276T276-T284 HydrophobicContact CG2-CG2 4.18Å
285L93Very high90.5Very high33 Ų3371.1 Ų71.117%0.17337%0.372CS..EExtended strand (participates in β ladder)trans-92.6131.3173.7-61.3178.2000109.3T276 I277 T279 E306 L320T276-L285 CarbonylContact C-O 3.14Å; T276-L285 VanDerWaalsContact CA-O 3.31Å; T276-L285 WeakPolarHBondContact CA-O 3.18Å; I277-L285 PolarHBondContact N-O 2.88Å; I277-L285 PolarHBondContact O-N 2.91Å; T279-L285 HydrophobicContact CG2-CD1 3.38Å; T279-L285 HydrophobicContact CG2-CG 3.64Å; L285-E306 HydrophobicContact CD1-CB 4.14Å; L285-E306 HydrophobicContact CD1-CG 3.73Å; L285-L320 HydrophobicContact CD1-CD2 4.4Å
286V93.7Very high90.5Very high80 Ų8069.8 Ų69.849%0.48537%0.374SS..EExtended strand (participates in β ladder)trans-97.2119.6173.2-1740000108.2Q274 T276 N288Q274-V286 HydrophobicContact CG-CG1 3.97Å; T276-V286 HydrophobicContact CG2-CG2 4.2Å; V286-N288 WeakPolarHBondContact CG1-OD1 3.08Å
287I91.9Very high90.4Very high21 Ų2168.6 Ų68.611%0.10836%0.364CS..EExtended strand (participates in β ladder)trans-102.9121.3175.8-65.5149.5000108I262 F273 Q274 R275 I277 I303 I322I262-I287 HydrophobicContact CD1-CD1 4.22Å; F273-I287 HydrophobicContact CE2-CG2 3.83Å; F273-I287 HydrophobicContact CZ-CG2 4.13Å; Q274-I287 WeakPolarHBondContact CA-O 3.46Å; R275-I287 PolarHBondContact N-O 2.95Å; R275-I287 PolarHBondContact O-N 2.69Å; I277-I287 HydrophobicContact CB-CD1 4.31Å; I277-I287 HydrophobicContact CD1-CD1 3.13Å; I277-I287 HydrophobicContact CG1-CD1 3.55Å; I287-I303 HydrophobicContact CD1-CD1 4.1Å; I287-I303 HydrophobicContact CG1-CD1 3.91Å; I287-I322 HydrophobicContact CD1-CD1 3.41Å; I287-I322 VanDerWaalsContact CD1-CD1 3.41Å; I287-I322 HydrophobicContact CG1-CD1 4.11Å; I287-I322 HydrophobicContact CG2-CD1 4.44Å
288N91.7Very high90.3Very high97 Ų9777 Ų7752%0.51940%0.401SS..EExtended strand (participates in β ladder)trans-116.5127.9178.1-58.7-38.6000108.2Q274 V286Q274-N288 VanDerWaalsContact CG-OD1 3.3Å; Q274-N288 WeakPolarHBondContact CG-OD1 3.23Å; Q274-N288 PolarHBondContact NE2-OD1 3.22Å; V286-N288 WeakPolarHBondContact CG1-OD1 3.08Å
289S89.8Confident90.1Very high16 Ų1671.3 Ų71.311%0.11238%0.383CS..PPolyproline II helixtrans-72.9149.716560.70000110.6G272 F273 Y295G272-S289 VanDerWaalsContact C-OG 3.31Å; G272-S289 WeakPolarHBondContact CA-OG 3.22Å; F273-S289 PolarHBondContact N-OG 3.17Å; F273-S289 PolarHBondContact O-N 3.35Å; F273-S289 VanDerWaalsContact O-N 3.08Å; F273-S289 PolarHBondContact O-OG 2.78Å; S289-Y295 WeakPolarHBondContact CA-OH 3.31Å; S289-Y295 WeakPolarHBondContact CB-OH 3.32Å
290R87.5Confident90.1Very high195 Ų19576.7 Ų76.774%0.73641%0.406SS*.PPolyproline II helixtrans-75.6139.5167.7-64.3179.5-179.3-173.30.8109.7G292 E293R290-G292 PolarHBondContact O-N 3.22Å; R290-E293 HydrophobicContact CB-CB 4.31Å; R290-E293 VanDerWaalsContact O-CB 3.28Å; R290-E293 WeakPolarHBondContact O-CB 3.42Å; R290-E293 PolarHBondContact O-N 2.98Å
291P80Confident90.2Very high129 Ų12981.4 Ų81.484%0.83842%0.423SS*.THydrogen-bonded Turntrans-54.6128.7173.5-25.734.5000111.2
292G82.3Confident90.4Very high67 Ų6782.1 Ų82.169%0.69144%0.435SS*.THydrogen-bonded Turntrans86.9-2.9-177.400000115.4R290 V294R290-G292 PolarHBondContact O-N 3.22Å; G292-V294 PolarHBondContact O-N 3.25Å
293E89.5Confident90.6Very high47 Ų4777.9 Ų77.922%0.2241%0.412CS..  trans-80.2117.8171.7-169.4168.1-16100110.1R290 Y295 R301R290-E293 HydrophobicContact CB-CB 4.31Å; R290-E293 VanDerWaalsContact O-CB 3.28Å; R290-E293 WeakPolarHBondContact O-CB 3.42Å; R290-E293 PolarHBondContact O-N 2.98Å; E293-Y295 HydrophobicContact CB-CE2 4.27Å; E293-Y295 VanDerWaalsContact CD-OH 3.3Å; E293-Y295 HydrophobicContact CG-CE1 4.49Å; E293-Y295 HydrophobicContact CG-CE2 4.04Å; E293-Y295 PolarHBondContact OE2-OH 2.88Å; E293-R301 IonicContact OE1-CZ 3.91Å; E293-R301 IonicContact OE1-NE 3.68Å; E293-R301 IonicContact OE1-NH1 2.93Å; E293-R301 PolarHBondContact OE1-NH1 3.15Å; E293-R301 IonicContact OE1-NH2 3.31Å; E293-R301 PolarHBondContact OE1-NH2 3.09Å
294V90.3Very high90.7Very high73 Ų7380 Ų8044%0.44243%0.426SS..  trans-92.6136.8177.4178.60000109.8A269 L270 G292A269-V294 WeakPolarHBondContact O-CA 3.27Å; L270-V294 HydrophobicContact CD2-CG1 3.85Å; L270-V294 HydrophobicContact CD2-CG2 4.18Å; G292-V294 PolarHBondContact O-N 3.25Å
295Y91.5Very high90.6Very high13 Ų1377.6 Ų77.65%0.05142%0.417CS..  trans-109.9149.7173.2-59.7-92.4000110.2A269 F273 S289 E293 R301 F324 I326A269-Y295 PolarHBondContact O-N 3.35Å; F273-Y295 HydrophobicContact CD1-CD2 4.37Å; F273-Y295 HydrophobicContact CD1-CE2 4.2Å; F273-Y295 AromaticContact CE1-CD2 3.84Å; F273-Y295 HydrophobicContact CE1-CD2 3.84Å; F273-Y295 HydrophobicContact CE1-CE1 4.38Å; F273-Y295 AromaticContact CE1-CE2 3.56Å; F273-Y295 HydrophobicContact CE1-CE2 3.56Å; F273-Y295 HydrophobicContact CE1-CG 4.37Å; F273-Y295 AromaticContact CE1-CZ 3.85Å; S289-Y295 WeakPolarHBondContact CA-OH 3.31Å; S289-Y295 WeakPolarHBondContact CB-OH 3.32Å; E293-Y295 HydrophobicContact CB-CE2 4.27Å; E293-Y295 VanDerWaalsContact CD-OH 3.3Å; E293-Y295 HydrophobicContact CG-CE1 4.49Å; E293-Y295 HydrophobicContact CG-CE2 4.04Å; E293-Y295 PolarHBondContact OE2-OH 2.88Å; Y295-R301 HydrophobicContact CE1-CG 4Å; Y295-F324 HydrophobicContact CD1-CD1 4.48Å; Y295-F324 AromaticContact CD1-CD2 3.82Å; Y295-F324 HydrophobicContact CD1-CD2 3.82Å; Y295-F324 HydrophobicContact CD1-CE1 4.42Å; Y295-F324 AromaticContact CD1-CE2 3.8Å; Y295-F324 HydrophobicContact CD1-CE2 3.8Å; Y295-F324 HydrophobicContact CD1-CG 4.17Å; Y295-F324 HydrophobicContact CD1-CZ 4.08Å; Y295-F324 HydrophobicContact CE1-CD2 4.5Å; Y295-F324 HydrophobicContact CE1-CE2 4.01Å; Y295-F324 HydrophobicContact CE1-CZ 4.03Å; Y295-I326 WeakPolarHBondContact O-CD1 3.28Å
296T91.7Very high90.6Very high61 Ų6177.4 Ų77.437%0.37442%0.415SS..  trans-128.8163.817670.70000110.9K298 D299 I326T296-K298 PolarHBondContact O-N 2.93Å; T296-D299 WeakPolarHBondContact CB-OD2 3.46Å; T296-D299 PolarHBondContact N-OD2 3.04Å; T296-D299 WeakPolarHBondContact O-CB 3.36Å; T296-D299 PolarHBondContact O-N 3.29Å; T296-D299 PolarHBondContact OG1-OD1 3.4Å; T296-D299 PolarHBondContact OG1-OD2 3.49Å; T296-I326 VanDerWaalsContact CA-CD1 3.43Å
297N91.1Very high90.6Very high69 Ų6973.6 Ų73.637%0.36939%0.392SS..THydrogen-bonded Turntrans-63.8-11.7178.5-67.68.5000114.2F324 I326N297-F324 WeakPolarHBondContact CA-O 3.36Å; N297-I326 WeakPolarHBondContact OD1-CA 3.41Å; N297-I326 WeakPolarHBondContact OD1-CB 3.42Å; N297-I326 WeakPolarHBondContact OD1-CD1 3.41Å; N297-I326 WeakPolarHBondContact OD1-CG1 3.34Å; N297-I326 PolarHBondContact OD1-N 3.19Å
298K89.9Confident90.7Very high183 Ų18372.6 Ų72.680%0.79639%0.387SS*.THydrogen-bonded Turntrans-99-7.7178.6-64.5-177.9179.3177.90112.3T296 F300T296-K298 PolarHBondContact O-N 2.93Å; K298-F300 VanDerWaalsContact O-CD2 3.28Å; K298-F300 WeakPolarHBondContact O-CD2 3.49Å; K298-F300 WeakPolarHBondContact O-CE2 3.08Å
299D89.2Confident90.9Very high49 Ų4968.1 Ų68.126%0.26236%0.363SS..  trans-81.7138.4-175.8-69.3-37000111.9T296T296-D299 WeakPolarHBondContact CB-OD2 3.46Å; T296-D299 PolarHBondContact N-OD2 3.04Å; T296-D299 WeakPolarHBondContact O-CB 3.36Å; T296-D299 PolarHBondContact O-N 3.29Å; T296-D299 PolarHBondContact OG1-OD1 3.4Å; T296-D299 PolarHBondContact OG1-OD2 3.49Å
300F93.2Very high91Very high117 Ų11772.9 Ų72.951%0.51338%0.379SS..EExtended strand (participates in β ladder)trans-122.7131.7171.7-61.7-90.4000108.5K298 I321 I322 K323K298-F300 VanDerWaalsContact O-CD2 3.28Å; K298-F300 WeakPolarHBondContact O-CD2 3.49Å; K298-F300 WeakPolarHBondContact O-CE2 3.08Å; F300-I321 HydrophobicContact CB-CG2 4.15Å; F300-I321 HydrophobicContact CD1-CG2 3.97Å; F300-I322 WeakPolarHBondContact CA-O 3.28Å; F300-K323 HydrophobicContact CD1-CB 3.99Å; F300-K323 HydrophobicContact CD1-CG 4.24Å; F300-K323 HydrophobicContact CE1-CB 3.8Å; F300-K323 HydrophobicContact CE1-CD 4.08Å; F300-K323 HydrophobicContact CE1-CG 3.68Å; F300-K323 HydrophobicContact CZ-CD 4.48Å; F300-K323 HydrophobicContact CZ-CG 4.27Å
301R93.4Very high91.2Very high103 Ų10367.7 Ų67.739%0.38936%0.36SS..EExtended strand (participates in β ladder)trans-117.7150.3171.3-60.4-65.5178148.27.2109.3E293 Y295 I321 I322 F324E293-R301 IonicContact OE1-CZ 3.91Å; E293-R301 IonicContact OE1-NE 3.68Å; E293-R301 IonicContact OE1-NH1 2.93Å; E293-R301 PolarHBondContact OE1-NH1 3.15Å; E293-R301 IonicContact OE1-NH2 3.31Å; E293-R301 PolarHBondContact OE1-NH2 3.09Å; Y295-R301 HydrophobicContact CE1-CG 4Å; R301-I321 CarbonylContact O-C 3.56Å; R301-I321 WeakPolarHBondContact O-CA 3.32Å; R301-I322 PolarHBondContact N-O 3.21Å; R301-I322 PolarHBondContact O-N 2.85Å; R301-F324 HydrophobicContact CB-CE2 3.83Å; R301-F324 HydrophobicContact CB-CZ 4.33Å; R301-F324 HydrophobicContact CG-CD2 4.48Å; R301-F324 HydrophobicContact CG-CE2 3.53Å; R301-F324 HydrophobicContact CG-CZ 4.2Å
302A93.9Very high91.6Very high54 Ų5469.1 Ų69.145%0.44635%0.353SS..EExtended strand (participates in β ladder)trans-121.7139.9-178.600000110.7R319 L320A302-R319 HydrophobicContact CB-CB 4.49Å; A302-L320 CarbonylContact C-O 3.49Å; A302-L320 WeakPolarHBondContact CA-O 3.42Å
303I93.6Very high92.1Very high49 Ų4970.7 Ų70.725%0.25135%0.346SS..EExtended strand (participates in β ladder)trans-105.1114.2166.4-54.3174.8000106.8I287 E306 R319 L320 I322I287-I303 HydrophobicContact CD1-CD1 4.1Å; I287-I303 HydrophobicContact CG1-CD1 3.91Å; I303-E306 HydrophobicContact CB-CB 4.41Å; I303-E306 HydrophobicContact CG2-CB 4.01Å; I303-E306 HydrophobicContact CG2-CG 3.69Å; I303-R319 WeakPolarHBondContact O-CA 3.39Å; I303-L320 HydrophobicContact CB-CB 4.3Å; I303-L320 HydrophobicContact CD1-CD2 4.35Å; I303-L320 PolarHBondContact N-O 3.31Å; I303-L320 PolarHBondContact O-N 3.17Å; I303-I322 HydrophobicContact CD1-CD1 3.81Å; I303-I322 HydrophobicContact CG1-CD1 4.2Å
304E93.2Very high91.8Very high142 Ų14270.8 Ų70.866%0.66435%0.35SS*.THydrogen-bonded Turntrans-66.4137.8178.9-65-64.1155.200110.7E306 R319E304-E306 VanDerWaalsContact C-N 3.31Å; E304-E306 PolarHBondContact O-N 2.79Å; E304-R319 VanDerWaalsContact OE1-CD 3.29Å; E304-R319 WeakPolarHBondContact OE1-CD 3.25Å; E304-R319 WeakPolarHBondContact OE2-CD 3.38Å; E304-R319 VanDerWaalsContact OE2-CG 3.25Å; E304-R319 WeakPolarHBondContact OE2-CG 3.1Å
305G92.2Very high91.7Very high31 Ų3177 Ų7732%0.3237%0.372SS..THydrogen-bonded Turntrans77.23.9175.500000116.4K317 G318G305-K317 WeakPolarHBondContact O-CB 3.34Å; G305-K317 WeakPolarHBondContact O-CD 3.44Å; G305-G318 CarbonylContact C-O 3.59Å; G305-G318 WeakPolarHBondContact CA-O 3.32Å; G305-G318 PolarHBondContact N-O 2.84Å
306E93Very high91.8Very high30 Ų3079.6 Ų79.614%0.1439%0.386CS..  trans-108.413.5180-66.9-65.7170.300113.7R283 L285 I303 E304 G318 L320R283-E306 IonicContact CZ-OE1 3.02Å; R283-E306 IonicContact CZ-OE2 3.61Å; R283-E306 IonicContact NH1-OE1 3.21Å; R283-E306 PolarHBondContact NH1-OE1 2.81Å; R283-E306 IonicContact NH1-OE2 2.6Å; R283-E306 IonicContact NH2-OE1 2.93Å; R283-E306 PolarHBondContact NH2-OE1 2.72Å; R283-E306 IonicContact NH2-OE2 2.79Å; R283-E306 PolarHBondContact NH2-OE2 3.24Å; L285-E306 HydrophobicContact CD1-CB 4.14Å; L285-E306 HydrophobicContact CD1-CG 3.73Å; I303-E306 HydrophobicContact CB-CB 4.41Å; I303-E306 HydrophobicContact CG2-CB 4.01Å; I303-E306 HydrophobicContact CG2-CG 3.69Å; E304-E306 VanDerWaalsContact C-N 3.31Å; E304-E306 PolarHBondContact O-N 2.79Å; E306-G318 PolarHBondContact N-O 2.76Å; E306-L320 HydrophobicContact CB-CB 3.86Å; E306-L320 HydrophobicContact CB-CD2 4.43Å
307G93.8Very high91.9Very high0 Ų079.6 Ų79.60%038%0.381CS..SBendtrans-88.3-163.8171.400000113.8Y119 G318Y119-G307 VanDerWaalsContact CE2-O 3.26Å; Y119-G307 WeakPolarHBondContact CE2-O 3.15Å; G307-G318 VanDerWaalsContact CA-C 3.49Å; G307-G318 WeakPolarHBondContact CA-O 3.35Å; G307-G318 PolarHBondContact N-O 2.66Å
308M95Very high92Very high0 Ų076.6 Ų76.60%037%0.367CS..PPolyproline II helixtrans-68.1141.7177.9-68.5-65.1-71.400111.6L115 L118 Y119 R253 N256 L258 L280 K317 G318L115-M308 HydrophobicContact CD1-CE 3.92Å; L115-M308 HydrophobicContact CD1-SD 3.66Å; L115-M308 HydrophobicContact CG-SD 4.22Å; L118-M308 HydrophobicContact CB-CE 3.68Å; Y119-M308 HydrophobicContact CD2-SD 3.89Å; R253-M308 HydrophobicContact CG-CG 4.03Å; N256-M308 WeakPolarHBondContact O-CB 3.49Å; N256-M308 PolarHBondContact O-N 2.77Å; L258-M308 HydrophobicContact CD1-CG 4.45Å; L258-M308 HydrophobicContact CD1-SD 4.37Å; L258-M308 HydrophobicContact CD2-CG 3.67Å; L258-M308 HydrophobicContact CD2-SD 3.96Å; L258-M308 HydrophobicContact CG-CG 4Å; L258-M308 HydrophobicContact CG-SD 4.45Å; L280-M308 HydrophobicContact CD1-SD 3.96Å; M308-K317 WeakPolarHBondContact O-CA 3.41Å; M308-G318 PolarHBondContact O-N 3.22Å
309P94.9Very high92.3Very high3 Ų372.9 Ų72.92%0.01935%0.348CS..EExtended strand (participates in β ladder)trans-63.2148169.825.7-31.6000110.7K214 G215 K317K214-P309 HydrophobicContact CB-CG 4.1Å; G215-P309 WeakPolarHBondContact CA-O 3.5Å; P309-K317 HydrophobicContact CB-CG 4.43Å
310R92.7Very high92.7Very high115 Ų11570.6 Ų70.643%0.43434%0.336SS..EExtended strand (participates in β ladder)trans-77.4137.7172.1-64.7-171.6-174.2-167.60.1110.4K312 N313 D316R310-K312 PolarHBondContact O-N 3.39Å; R310-N313 HydrophobicContact CB-CB 4.39Å; R310-N313 CarbonylContact O-C 3.52Å; R310-N313 PolarHBondContact O-N 2.71Å; R310-D316 WeakPolarHBondContact CD-OD2 3.4Å; R310-D316 HydrophobicContact CG-CB 4.48Å; R310-D316 WeakPolarHBondContact CG-O 3.48Å; R310-D316 IonicContact CZ-OD2 2.84Å; R310-D316 PolarHBondContact N-O 3.49Å; R310-D316 IonicContact NE-OD1 3.45Å; R310-D316 IonicContact NE-OD2 3.59Å; R310-D316 PolarHBondContact NE-OD2 2.87Å; R310-D316 IonicContact NH1-OD2 2.87Å; R310-D316 PolarHBondContact NH1-OD2 3.21Å; R310-D316 IonicContact NH2-OD2 2.78Å
311Y90.1Very high92.8Very high86 Ų8666.5 Ų66.534%0.33732%0.319SS..THydrogen-bonded Turntrans-55134.5175.4-176.4-125.8000111.1D213 M216 Q220 N313D213-Y311 HydrophobicContact CB-CD2 4.24Å; D213-Y311 HydrophobicContact CB-CE2 3.75Å; M216-Y311 HydrophobicContact CG-CD2 3.78Å; M216-Y311 HydrophobicContact CG-CE2 3.77Å; Q220-Y311 VanDerWaalsContact NE2-CE1 3.35Å; Y311-N313 PolarHBondContact O-N 3.32Å
312K90.1Very high92.9Very high159 Ų15961.7 Ų61.769%0.69130%0.301SS*.THydrogen-bonded Turntrans66.6-17.6-172.7-56.6-179.5177.1-179.40116.6R310 P314R310-K312 PolarHBondContact O-N 3.39Å; K312-P314 VanDerWaalsContact C-CD 3.47Å; K312-P314 WeakPolarHBondContact O-CD 3.03Å
313N91.4Very high92.9Very high101 Ų10162.6 Ų62.654%0.5430%0.295SS..EExtended strand (participates in β ladder)trans-122.671.1178.5-72.3-9.2000110.6R310 Y311 F315 D316R310-N313 HydrophobicContact CB-CB 4.39Å; R310-N313 CarbonylContact O-C 3.52Å; R310-N313 PolarHBondContact O-N 2.71Å; Y311-N313 PolarHBondContact O-N 3.32Å; N313-F315 PolarHBondContact O-N 3.15Å; N313-F315 VanDerWaalsContact O-N 3.12Å; N313-D316 PolarHBondContact O-N 3.22Å; N313-D316 VanDerWaalsContact O-N 3.1Å
314P84.6Confident92.9Very high49 Ų4960.4 Ų60.432%0.31828%0.283SS..EExtended strand (participates in β ladder)trans-67.8-14.8-17227.7-36000114.6K214 K312K214-P314 HydrophobicContact CB-CB 4.28Å; K214-P314 HydrophobicContact CD-CB 4.11Å; K312-P314 VanDerWaalsContact C-CD 3.47Å; K312-P314 WeakPolarHBondContact O-CD 3.03Å
315F88.5Confident93Very high204 Ų20456.5 Ų56.590%0.89527%0.267SS*.EExtended strand (participates in β ladder)trans-77.3-22.4175.7-59.2-75.1000113N313N313-F315 PolarHBondContact O-N 3.15Å; N313-F315 VanDerWaalsContact O-N 3.12Å
316D92.6Very high93.1Very high66 Ų6655.6 Ų55.635%0.35326%0.255SS..EExtended strand (participates in β ladder)trans-95.3111.6175.6-174.38.2000108.4R310 N313R310-D316 WeakPolarHBondContact CD-OD2 3.4Å; R310-D316 HydrophobicContact CG-CB 4.48Å; R310-D316 WeakPolarHBondContact CG-O 3.48Å; R310-D316 IonicContact CZ-OD2 2.84Å; R310-D316 PolarHBondContact N-O 3.49Å; R310-D316 IonicContact NE-OD1 3.45Å; R310-D316 IonicContact NE-OD2 3.59Å; R310-D316 PolarHBondContact NE-OD2 2.87Å; R310-D316 IonicContact NH1-OD2 2.87Å; R310-D316 PolarHBondContact NH1-OD2 3.21Å; R310-D316 IonicContact NH2-OD2 2.78Å; N313-D316 PolarHBondContact O-N 3.22Å; N313-D316 VanDerWaalsContact O-N 3.1Å
317K93.8Very high93.1Very high61 Ų6158 Ų5827%0.26527%0.271SS..EExtended strand (participates in β ladder)trans-109.6146-179.1-66.3-179.6-179.5-175.80109.5Y119 G305 M308 P309Y119-K317 PolarHBondContact OH-NZ 3.48Å; G305-K317 WeakPolarHBondContact O-CB 3.34Å; G305-K317 WeakPolarHBondContact O-CD 3.44Å; M308-K317 WeakPolarHBondContact O-CA 3.41Å; P309-K317 HydrophobicContact CB-CG 4.43Å
318G93.7Very high93Very high7 Ų764.4 Ų64.47%0.07230%0.299CS..  trans-70-162.8170.700000112.5N256 G305 E306 G307 M308N256-G318 WeakPolarHBondContact O-CA 3.38Å; G305-G318 CarbonylContact C-O 3.59Å; G305-G318 WeakPolarHBondContact CA-O 3.32Å; G305-G318 PolarHBondContact N-O 2.84Å; E306-G318 PolarHBondContact N-O 2.76Å; G307-G318 VanDerWaalsContact CA-C 3.49Å; G307-G318 WeakPolarHBondContact CA-O 3.35Å; G307-G318 PolarHBondContact N-O 2.66Å; M308-G318 PolarHBondContact O-N 3.22Å
319R96Very high92.8Very high104 Ų10466.8 Ų66.839%0.39232%0.315SS..  trans-103.3146.7-176.1-60.4170.5-63.4176.14.6111.3D257 L258 A302 I303 E304D257-R319 CarbonylContact C-O 3.45Å; D257-R319 WeakPolarHBondContact CA-O 3.39Å; D257-R319 WeakPolarHBondContact CB-O 3.28Å; D257-R319 PolarHBondContact OD1-N 2.66Å; D257-R319 IonicContact OD1-NE 2.72Å; D257-R319 IonicContact OD2-CZ 2.85Å; D257-R319 IonicContact OD2-NE 3.32Å; D257-R319 PolarHBondContact OD2-NE 3.01Å; D257-R319 IonicContact OD2-NH2 3.6Å; D257-R319 PolarHBondContact OD2-NH2 3.47Å; L258-R319 PolarHBondContact N-O 3.47Å; A302-R319 HydrophobicContact CB-CB 4.49Å; I303-R319 WeakPolarHBondContact O-CA 3.39Å; E304-R319 VanDerWaalsContact OE1-CD 3.29Å; E304-R319 WeakPolarHBondContact OE1-CD 3.25Å; E304-R319 WeakPolarHBondContact OE2-CD 3.38Å; E304-R319 VanDerWaalsContact OE2-CG 3.25Å; E304-R319 WeakPolarHBondContact OE2-CG 3.1Å
320L96.3Very high92.6Very high1 Ų175.4 Ų75.41%0.00535%0.352CS..EExtended strand (participates in β ladder)trans-93.7105.6164.5177.561000108.6F251 L258 H260 I277 L285 A302 I303 E306F251-L320 HydrophobicContact CD1-CD1 4.12Å; F251-L320 HydrophobicContact CE1-CD1 3.83Å; L258-L320 HydrophobicContact CB-CD1 3.74Å; L258-L320 CarbonylContact O-C 3.57Å; L258-L320 WeakPolarHBondContact O-CA 3.43Å; H260-L320 HydrophobicContact CB-CD1 4.17Å; I277-L320 HydrophobicContact CD1-CD2 4.24Å; L285-L320 HydrophobicContact CD1-CD2 4.4Å; A302-L320 CarbonylContact C-O 3.49Å; A302-L320 WeakPolarHBondContact CA-O 3.42Å; I303-L320 HydrophobicContact CB-CB 4.3Å; I303-L320 HydrophobicContact CD1-CD2 4.35Å; I303-L320 PolarHBondContact N-O 3.31Å; I303-L320 PolarHBondContact O-N 3.17Å; E306-L320 HydrophobicContact CB-CB 3.86Å; E306-L320 HydrophobicContact CB-CD2 4.43Å
321I95.9Very high92.3Very high31 Ų3178.1 Ų78.116%0.15938%0.375CS..EExtended strand (participates in β ladder)trans-87.2124.4176.7-56.8172.3000108.4D257 L258 I259 H260 F300 R301D257-I321 HydrophobicContact CB-CD1 4.03Å; D257-I321 HydrophobicContact CB-CG1 4.5Å; L258-I321 PolarHBondContact O-N 3.42Å; I259-I321 CarbonylContact C-O 3.56Å; I259-I321 VanDerWaalsContact CA-O 3.27Å; I259-I321 WeakPolarHBondContact CA-O 3.34Å; I259-I321 HydrophobicContact CG1-CB 4.23Å; H260-I321 PolarHBondContact N-O 3.19Å; F300-I321 HydrophobicContact CB-CG2 4.15Å; F300-I321 HydrophobicContact CD1-CG2 3.97Å; R301-I321 CarbonylContact O-C 3.56Å; R301-I321 WeakPolarHBondContact O-CA 3.32Å
322I95.2Very high92Very high3 Ų377.7 Ų77.72%0.01540%0.396CS..EExtended strand (participates in β ladder)trans-103.2118.8176.5-56.9168.1000107.6H260 I262 I277 I287 F300 R301 I303 F324H260-I322 CarbonylContact O-C 3.53Å; H260-I322 WeakPolarHBondContact O-CA 3.26Å; I262-I322 HydrophobicContact CB-CG2 4.28Å; I262-I322 HydrophobicContact CD1-CG2 3.69Å; I262-I322 HydrophobicContact CG1-CG2 3.84Å; I277-I322 HydrophobicContact CD1-CD1 4.18Å; I277-I322 HydrophobicContact CD1-CG1 4.31Å; I287-I322 HydrophobicContact CD1-CD1 3.41Å; I287-I322 VanDerWaalsContact CD1-CD1 3.41Å; I287-I322 HydrophobicContact CG1-CD1 4.11Å; I287-I322 HydrophobicContact CG2-CD1 4.44Å; F300-I322 WeakPolarHBondContact CA-O 3.28Å; R301-I322 PolarHBondContact N-O 3.21Å; R301-I322 PolarHBondContact O-N 2.85Å; I303-I322 HydrophobicContact CD1-CD1 3.81Å; I303-I322 HydrophobicContact CG1-CD1 4.2Å; I322-F324 HydrophobicContact CB-CE2 4.18Å; I322-F324 HydrophobicContact CB-CZ 4Å; I322-F324 HydrophobicContact CG2-CD1 4.16Å; I322-F324 HydrophobicContact CG2-CD2 4.44Å; I322-F324 HydrophobicContact CG2-CE1 3.58Å; I322-F324 HydrophobicContact CG2-CE2 3.85Å; I322-F324 HydrophobicContact CG2-CZ 3.41Å; I322-F324 VanDerWaalsContact CG2-CZ 3.41Å
323K94.7Very high91.9Very high73 Ų7375.2 Ų75.232%0.31739%0.386SS..EExtended strand (participates in β ladder)trans-91.1130.6167-177.1-173.5176-164.60108H260 T261 I262 F300H260-K323 PolarHBondContact O-N 3.43Å; T261-K323 CarbonylContact C-O 3.58Å; T261-K323 WeakPolarHBondContact CA-O 3.21Å; T261-K323 HydrophobicContact CG2-CD 4.45Å; I262-K323 PolarHBondContact N-O 3.47Å; F300-K323 HydrophobicContact CD1-CB 3.99Å; F300-K323 HydrophobicContact CD1-CG 4.24Å; F300-K323 HydrophobicContact CE1-CB 3.8Å; F300-K323 HydrophobicContact CE1-CD 4.08Å; F300-K323 HydrophobicContact CE1-CG 3.68Å; F300-K323 HydrophobicContact CZ-CD 4.48Å; F300-K323 HydrophobicContact CZ-CG 4.27Å
324F94.4Very high91.7Very high3 Ų372.9 Ų72.91%0.01337%0.373CS..EExtended strand (participates in β ladder)trans-97.1130.9174.9-60.9-78.6000109.7I262 L264 F273 Y295 N297 R301 I322I262-F324 HydrophobicContact CB-CD1 4.42Å; L264-F324 HydrophobicContact CD1-CB 4.45Å; L264-F324 HydrophobicContact CD1-CD1 3.44Å; L264-F324 VanDerWaalsContact CD1-CD1 3.44Å; L264-F324 HydrophobicContact CD1-CE1 4.07Å; L264-F324 HydrophobicContact CD1-CG 4.25Å; L264-F324 HydrophobicContact CG-CD1 4.08Å; F273-F324 AromaticContact CE1-CE1 3.98Å; F273-F324 HydrophobicContact CE1-CE1 3.98Å; F273-F324 HydrophobicContact CE2-CE1 4.31Å; F273-F324 HydrophobicContact CZ-CD1 4.31Å; F273-F324 AromaticContact CZ-CE1 3.44Å; F273-F324 HydrophobicContact CZ-CE1 3.44Å; F273-F324 VanDerWaalsContact CZ-CE1 3.44Å; F273-F324 HydrophobicContact CZ-CZ 4.07Å; Y295-F324 HydrophobicContact CD1-CD1 4.48Å; Y295-F324 AromaticContact CD1-CD2 3.82Å; Y295-F324 HydrophobicContact CD1-CD2 3.82Å; Y295-F324 HydrophobicContact CD1-CE1 4.42Å; Y295-F324 AromaticContact CD1-CE2 3.8Å; Y295-F324 HydrophobicContact CD1-CE2 3.8Å; Y295-F324 HydrophobicContact CD1-CG 4.17Å; Y295-F324 HydrophobicContact CD1-CZ 4.08Å; Y295-F324 HydrophobicContact CE1-CD2 4.5Å; Y295-F324 HydrophobicContact CE1-CE2 4.01Å; Y295-F324 HydrophobicContact CE1-CZ 4.03Å; N297-F324 WeakPolarHBondContact CA-O 3.36Å; R301-F324 HydrophobicContact CB-CE2 3.83Å; R301-F324 HydrophobicContact CB-CZ 4.33Å; R301-F324 HydrophobicContact CG-CD2 4.48Å; R301-F324 HydrophobicContact CG-CE2 3.53Å; R301-F324 HydrophobicContact CG-CZ 4.2Å; I322-F324 HydrophobicContact CB-CE2 4.18Å; I322-F324 HydrophobicContact CB-CZ 4Å; I322-F324 HydrophobicContact CG2-CD1 4.16Å; I322-F324 HydrophobicContact CG2-CD2 4.44Å; I322-F324 HydrophobicContact CG2-CE1 3.58Å; I322-F324 HydrophobicContact CG2-CE2 3.85Å; I322-F324 HydrophobicContact CG2-CZ 3.41Å; I322-F324 VanDerWaalsContact CG2-CZ 3.41Å
325D94.4Very high91.8Very high59 Ų5973.8 Ų73.832%0.31638%0.379SS..EExtended strand (participates in β ladder)trans-118.6115171.5-1611.8000109T261 I262 E263 L264T261-D325 HydrophobicContact CG2-CB 4.06Å; I262-D325 PolarHBondContact O-N 3.48Å; E263-D325 CarbonylContact C-O 3.55Å; E263-D325 VanDerWaalsContact CA-O 3.29Å; E263-D325 WeakPolarHBondContact CA-O 3.49Å; L264-D325 PolarHBondContact N-O 3.03Å
326I94.2Very high91.8Very high13 Ų1372.8 Ų72.87%0.06737%0.374CS..EExtended strand (participates in β ladder)trans-93.8115.2-174.4-54.8164.7000108.6L264 L266 A269 Y295 T296 N297 F328L264-I326 CarbonylContact O-C 3.51Å; L264-I326 VanDerWaalsContact O-CA 3.28Å; L264-I326 WeakPolarHBondContact O-CA 3.35Å; L266-I326 HydrophobicContact CB-CG2 4.32Å; L266-I326 HydrophobicContact CD1-CG2 4.31Å; A269-I326 HydrophobicContact CB-CD1 3.66Å; A269-I326 HydrophobicContact CB-CG1 3.85Å; A269-I326 HydrophobicContact CB-CG2 4.12Å; Y295-I326 WeakPolarHBondContact O-CD1 3.28Å; T296-I326 VanDerWaalsContact CA-CD1 3.43Å; N297-I326 WeakPolarHBondContact OD1-CA 3.41Å; N297-I326 WeakPolarHBondContact OD1-CB 3.42Å; N297-I326 WeakPolarHBondContact OD1-CD1 3.41Å; N297-I326 WeakPolarHBondContact OD1-CG1 3.34Å; N297-I326 PolarHBondContact OD1-N 3.19Å; I326-F328 HydrophobicContact CG2-CE2 4.41Å; I326-F328 PolarHBondContact O-N 2.94Å
327V93.7Very high91.5Very high79 Ų7974.7 Ų74.748%0.47939%0.388SS..EExtended strand (participates in β ladder)trans-85.3111.7174.5-175.80000108.1E263 L264 L266E263-V327 HydrophobicContact CB-CG2 4.34Å; L264-V327 PolarHBondContact O-N 2.8Å; L266-V327 PolarHBondContact N-O 3.47Å
328F91.5Very high91.3Very high135 Ų13576.6 Ų76.659%0.59240%0.398SS*.PPolyproline II helixtrans-71.1145.6173.3-80.1-99.9000110.6L266 I326L266-F328 HydrophobicContact CD1-CE1 3.98Å; L266-F328 HydrophobicContact CD1-CZ 4.2Å; L266-F328 HydrophobicContact CD2-CD1 4.03Å; L266-F328 HydrophobicContact CD2-CE1 4.01Å; I326-F328 HydrophobicContact CG2-CE2 4.41Å; I326-F328 PolarHBondContact O-N 2.94Å
329P90.7Very high91Very high50 Ų5079.8 Ų79.833%0.32541%0.413SS..PPolyproline II helixtrans-64.8153.8176.229.3-35.3000111.1F333P329-F333 HydrophobicContact CB-CB 3.84Å; P329-F333 HydrophobicContact CB-CD1 3.83Å; P329-F333 HydrophobicContact CB-CD2 3.71Å; P329-F333 HydrophobicContact CB-CE1 4.33Å; P329-F333 HydrophobicContact CB-CE2 4.21Å; P329-F333 HydrophobicContact CB-CG 3.52Å; P329-F333 HydrophobicContact CG-CD1 3.64Å; P329-F333 HydrophobicContact CG-CD2 3.83Å; P329-F333 HydrophobicContact CG-CE1 3.64Å; P329-F333 HydrophobicContact CG-CE2 3.82Å; P329-F333 HydrophobicContact CG-CG 3.77Å; P329-F333 HydrophobicContact CG-CZ 3.74Å
330K90.6Very high90.5Very high184 Ų18481.3 Ų81.380%0.843%0.425SS*.PPolyproline II helixtrans-63.8156.8177.2-63.3-177.2-179.2-178.30111.4G332 F333K330-G332 PolarHBondContact O-N 2.77Å; K330-F333 WeakPolarHBondContact O-CB 3.29Å; K330-F333 PolarHBondContact O-N 3.35Å
331N85.3Confident90.1Very high173 Ų17384.6 Ų84.693%0.92545%0.448SS*.THydrogen-bonded Turntrans-54.8135174-68.8-18.5000111
332G84.8Confident89.7Confident76 Ų7686 Ų8678%0.78446%0.456SS*.THydrogen-bonded Turntrans80.115.9-17900000115.5K330 L334K330-G332 PolarHBondContact O-N 2.77Å; G332-L334 PolarHBondContact O-N 2.98Å
333F87.3Confident89.2Confident108 Ų10894.6 Ų94.647%0.47449%0.488SS..  trans-63.8-20.6-179.179.3-74.2000115.2P329 K330 L342P329-F333 HydrophobicContact CB-CB 3.84Å; P329-F333 HydrophobicContact CB-CD1 3.83Å; P329-F333 HydrophobicContact CB-CD2 3.71Å; P329-F333 HydrophobicContact CB-CE1 4.33Å; P329-F333 HydrophobicContact CB-CE2 4.21Å; P329-F333 HydrophobicContact CB-CG 3.52Å; P329-F333 HydrophobicContact CG-CD1 3.64Å; P329-F333 HydrophobicContact CG-CD2 3.83Å; P329-F333 HydrophobicContact CG-CE1 3.64Å; P329-F333 HydrophobicContact CG-CE2 3.82Å; P329-F333 HydrophobicContact CG-CG 3.77Å; P329-F333 HydrophobicContact CG-CZ 3.74Å; K330-F333 WeakPolarHBondContact O-CB 3.29Å; K330-F333 PolarHBondContact O-N 3.35Å; F333-L342 HydrophobicContact CZ-CD2 4.29Å
334L86.8Confident88.9Confident51 Ų5199.5 Ų99.527%0.26751%0.509SS..SBendtrans-131.9144.4177-73.6172.5000111.9G332 Q338 L339 L342G332-L334 PolarHBondContact O-N 2.98Å; L334-Q338 HydrophobicContact CD2-CB 4.49Å; L334-Q338 VanDerWaalsContact CD2-OE1 3.29Å; L334-L339 HydrophobicContact CB-CD2 3.92Å; L334-L339 HydrophobicContact CB-CG 4.38Å; L334-L339 HydrophobicContact CD1-CD2 4.34Å; L334-L342 HydrophobicContact CD1-CD2 4.13Å
335P87.7Confident88.6Confident69 Ų69106.2 Ų106.245%0.44854%0.544SS..  trans-68.1151.6171.529.1-33.8000111.5T337 Q338 L339P335-T337 PolarHBondContact O-N 3.47Å; P335-T337 VanDerWaalsContact O-N 3.11Å; P335-Q338 HydrophobicContact CG-CB 4.14Å; P335-Q338 HydrophobicContact CG-CG 3.92Å; P335-Q338 PolarHBondContact O-N 2.91Å; P335-L339 PolarHBondContact O-N 3.01Å
336K87.3Confident88.3Confident183 Ų183107 Ų10780%0.79655%0.548SS*.Hα-helixtrans-52.9-37-176-66.5-174.2179.6-176.40113.7Q338 L339K336-Q338 VanDerWaalsContact C-N 3.29Å; K336-Q338 PolarHBondContact O-N 3.11Å; K336-L339 PolarHBondContact O-N 3.4Å
337T88.3Confident87.8Confident105 Ų105111.8 Ų111.864%0.64458%0.58SS**Hα-helixtrans-62.5-33178.452.10000113.1P335P335-T337 PolarHBondContact O-N 3.47Å; P335-T337 VanDerWaalsContact O-N 3.11Å
338Q89.2Confident87.2Confident102 Ų102113.1 Ų113.148%0.47759%0.59SS.*Hα-helixtrans-85.5-24.4178.9-68.6-179.4-3.500112.4L334 P335 K336 E340 S341 L342L334-Q338 HydrophobicContact CD2-CB 4.49Å; L334-Q338 VanDerWaalsContact CD2-OE1 3.29Å; P335-Q338 HydrophobicContact CG-CB 4.14Å; P335-Q338 HydrophobicContact CG-CG 3.92Å; P335-Q338 PolarHBondContact O-N 2.91Å; K336-Q338 VanDerWaalsContact C-N 3.29Å; K336-Q338 PolarHBondContact O-N 3.11Å; Q338-E340 VanDerWaalsContact C-N 3.3Å; Q338-E340 PolarHBondContact O-N 3.32Å; Q338-S341 WeakPolarHBondContact O-CB 3.33Å; Q338-S341 PolarHBondContact O-N 3.34Å; Q338-S341 VanDerWaalsContact O-N 3.12Å; Q338-L342 PolarHBondContact O-N 2.99Å
339L86.3Confident86.7Confident74 Ų74109.8 Ų109.839%0.38758%0.582SS.*Hα-helixtrans-61.6-37.2175.3-67.6177.5000112.2L334 P335 K336 S341 L342 R343L334-L339 HydrophobicContact CB-CD2 3.92Å; L334-L339 HydrophobicContact CB-CG 4.38Å; L334-L339 HydrophobicContact CD1-CD2 4.34Å; P335-L339 PolarHBondContact O-N 3.01Å; K336-L339 PolarHBondContact O-N 3.4Å; L339-S341 VanDerWaalsContact C-N 3.3Å; L339-S341 PolarHBondContact O-N 2.85Å; L339-L342 PolarHBondContact O-N 3.21Å; L339-R343 PolarHBondContact O-N 2.9Å
340E85.5Confident86.1Confident135 Ų135114.7 Ų114.763%0.63161%0.612SS**Hα-helixtrans-63.6-36.9174.5-68.4-179.5-175.900112.2Q338 R343 K344Q338-E340 VanDerWaalsContact C-N 3.3Å; Q338-E340 PolarHBondContact O-N 3.32Å; E340-R343 PolarHBondContact O-N 2.84Å; E340-K344 WeakPolarHBondContact O-CG 3.47Å; E340-K344 PolarHBondContact O-N 3.38Å
341S89.4Confident85.1Confident70 Ų70110 Ų11049%0.4960%0.601SS.*Hα-helixtrans-68.6-41175.6-60.70000111.1Q338 L339 K344 L345Q338-S341 WeakPolarHBondContact O-CB 3.33Å; Q338-S341 PolarHBondContact O-N 3.34Å; Q338-S341 VanDerWaalsContact O-N 3.12Å; L339-S341 VanDerWaalsContact C-N 3.3Å; L339-S341 PolarHBondContact O-N 2.85Å; S341-K344 PolarHBondContact O-N 3.13Å; S341-L345 PolarHBondContact O-N 2.82Å
342L87.2Confident84.6Confident62 Ų62108.2 Ų108.233%0.32559%0.59SS.*Hα-helixtrans-62.3-41.8174.8-174.665.9000111.8F333 L334 Q338 L339 K344 L345 L346F333-L342 HydrophobicContact CZ-CD2 4.29Å; L334-L342 HydrophobicContact CD1-CD2 4.13Å; Q338-L342 PolarHBondContact O-N 2.99Å; L339-L342 PolarHBondContact O-N 3.21Å; L342-K344 PolarHBondContact O-N 3.2Å; L342-L345 PolarHBondContact O-N 3.08Å; L342-L346 HydrophobicContact CD1-CD1 4.45Å; L342-L346 HydrophobicContact CG-CD1 4.14Å; L342-L346 PolarHBondContact O-N 3.43Å
343R85Confident84.4Confident183 Ų183111.8 Ų111.869%0.69159%0.586SS**Hα-helixtrans-60.6-32.9177.1-172.4174.7-176.11751.9112.6L339 E340 L345L339-R343 PolarHBondContact O-N 2.9Å; E340-R343 PolarHBondContact O-N 2.84Å; R343-L345 VanDerWaalsContact C-N 3.33Å
344K88.5Confident84Confident176 Ų176114.1 Ų114.177%0.76560%0.604SS**Hα-helixtrans-72.7-24176-69.8173.8-176.51760113.5E340 S341 L342E340-K344 WeakPolarHBondContact O-CG 3.47Å; E340-K344 PolarHBondContact O-N 3.38Å; S341-K344 PolarHBondContact O-N 3.13Å; L342-K344 PolarHBondContact O-N 3.2Å
345L87.1Confident83.8Confident144 Ų144118.4 Ų118.475%0.75463%0.625SS**Hα-helixtrans-86.8-23.9-179.6-66173.8000113S341 L342 R343S341-L345 PolarHBondContact O-N 2.82Å; L342-L345 PolarHBondContact O-N 3.08Å; R343-L345 VanDerWaalsContact C-N 3.33Å
346L87.3Confident83.7Confident76 Ų76118.9 Ų118.940%0.39863%0.628SS.*SBendtrans-91.4157.5-179.1-65.5175.9000111.8L270 L342L270-L346 HydrophobicContact CD1-CD2 4.08Å; L342-L346 HydrophobicContact CD1-CD1 4.45Å; L342-L346 HydrophobicContact CG-CD1 4.14Å; L342-L346 PolarHBondContact O-N 3.43Å
347P84.5Confident83.5Confident113 Ų113120.2 Ų120.273%0.73464%0.637SS**PPolyproline II helixtrans-53.7144.4172.9-25.534.6000112.1
348P81.5Confident83.4Confident107 Ų107122 Ų12270%0.69564%0.643SS**PPolyproline II helixtrans-63.4153.2178.828-34.6000111T350P348-T350 PolarHBondContact O-N 3.05Å
349P80.6Confident83.3Confident65 Ų65119.7 Ų119.742%0.42264%0.641SS.*PPolyproline II helixtrans-57.9132.3174.925.1-33.1000110.1I352P349-I352 HydrophobicContact CG-CD1 4.3Å; P349-I352 HydrophobicContact CG-CG1 4.06Å
350T78.4Confident83.2Confident153 Ų153124.9 Ų124.994%0.93966%0.664SS**SBendtrans-76.4-28.6-175.848.30000113.2P348P348-T350 PolarHBondContact O-N 3.05Å
351C70.1Confident83.1Confident84 Ų84124.4 Ų124.457%0.56868%0.675SS**  trans-116.1111.4175.3-150.20000108
352I75Confident83Confident136 Ų136127 Ų12770%0.69769%0.688SS**  trans-109.7101.5164-57.7173.8000103.6P349P349-I352 HydrophobicContact CG-CD1 4.3Å; P349-I352 HydrophobicContact CG-CG1 4.06Å
353E79.3Confident82.9Confident151 Ų151131.5 Ų131.571%0.70671%0.707SS**  trans-80133.3176.1-64.8-179.6179.300108.5I355E353-I355 PolarHBondContact O-N 3.33Å; E353-I355 VanDerWaalsContact O-N 3.11Å
354D79.1Confident82.9Confident158 Ų158131.1 Ų131.185%0.84572%0.718SS**  trans-70.5103.5170.4-68.1-40.9000107.7P356D354-P356 VanDerWaalsContact O-CD 3.29Å; D354-P356 WeakPolarHBondContact O-CD 3.31Å
355I82.9Confident82.6Confident140 Ų140129.5 Ų129.572%0.71871%0.713SS**  trans-70.3119-178.5-57.8172.7000108.4E353 A359E353-I355 PolarHBondContact O-N 3.33Å; E353-I355 VanDerWaalsContact O-N 3.11Å; I355-A359 HydrophobicContact CG2-CB 3.66Å
356P85.9Confident82.4Confident79 Ų79129.1 Ų129.151%0.51372%0.719SS.*  trans-59.7149.3176.4-22.734000112.3D354 D358 A359D354-P356 VanDerWaalsContact O-CD 3.29Å; D354-P356 WeakPolarHBondContact O-CD 3.31Å; P356-D358 WeakPolarHBondContact CB-OD1 3.43Å; P356-D358 PolarHBondContact O-N 2.96Å; P356-A359 VanDerWaalsContact O-CB 3.25Å; P356-A359 WeakPolarHBondContact O-CB 3.46Å; P356-A359 PolarHBondContact O-N 2.92Å; P356-A359 VanDerWaalsContact O-N 3.12Å
357E81.7Confident82.4Confident212 Ų212132.2 Ų132.299%0.99173%0.729SS**THydrogen-bonded Turntrans-63.9-23.6-179.5-66-175.8175.100113.3
358D87.7Confident82.5Confident141 Ų141131.1 Ų131.175%0.75472%0.717SS**THydrogen-bonded Turntrans-90.57.6177.861.1-39.9000113.9P356 E360P356-D358 WeakPolarHBondContact CB-OD1 3.43Å; P356-D358 PolarHBondContact O-N 2.96Å; D358-E360 PolarHBondContact O-N 2.62Å
359A85.9Confident82.8Confident54 Ų54130 Ų13045%0.44671%0.71SS.*PPolyproline II helixtrans-71.2127-179.800000112.8I355 P356I355-A359 HydrophobicContact CG2-CB 3.66Å; P356-A359 VanDerWaalsContact O-CB 3.25Å; P356-A359 WeakPolarHBondContact O-CB 3.46Å; P356-A359 PolarHBondContact O-N 2.92Å; P356-A359 VanDerWaalsContact O-N 3.12Å
360E84.1Confident83Confident183 Ų183134 Ų13486%0.85572%0.723SS**PPolyproline II helixtrans-80.3131.1172.3-65.7-177.2177.500111.2D358D358-E360 PolarHBondContact O-N 2.62Å
361S83.4Confident83.2Confident125 Ų125132.4 Ų132.487%0.87470%0.704SS**PPolyproline II helixtrans-80.1125.917562.50000111.2
362V87.5Confident83.9Confident125 Ų125131.1 Ų131.176%0.75869%0.691SS**  trans-113.5138.4178.3-173.40000110.2
363E84.9Confident84.2Confident157 Ų157129.8 Ų129.873%0.73468%0.682SS**PPolyproline II helixtrans-85.1129.3173.1-66.4-172.2176.300110.9
364L85Confident84.4Confident174 Ų174127.8 Ų127.891%0.91167%0.672SS**PPolyproline II helixtrans-81.8121.6173.8-70171.1000109.9
365H82.9Confident84.5Confident143 Ų143125.3 Ų125.366%0.66266%0.656SS**PPolyproline II helixtrans-97.2149.9171.5-61.8-60.1000110.8F367H365-F367 PolarHBondContact O-N 2.92Å
366P83.2Confident84.3Confident136 Ų136124.2 Ų124.288%0.88365%0.647SS**PPolyproline II helixtrans-60.8123.4173.525.9-33.1000109.5
367F87.4Confident83.9Confident140 Ų140126 Ų12661%0.61465%0.649SS**  trans-112.7123.2175.9179.8-105000108.7H365 P369 D372H365-F367 PolarHBondContact O-N 2.92Å; F367-P369 HydrophobicContact CD1-CG 3.97Å; F367-P369 HydrophobicContact CE1-CB 4.01Å; F367-P369 HydrophobicContact CE1-CG 3.78Å; F367-D372 HydrophobicContact CE2-CB 3.54Å; F367-D372 HydrophobicContact CZ-CB 3.65Å
368D86.7Confident83.5Confident90 Ų90124.5 Ų124.548%0.48163%0.634SS.*  trans-107106172.6-176.9-9.1000108.5E370 F371 D372D368-E370 PolarHBondContact O-N 2.82Å; D368-E370 PolarHBondContact OD1-N 3.19Å; D368-F371 HydrophobicContact CB-CB 3.98Å; D368-F371 PolarHBondContact O-N 2.8Å; D368-D372 PolarHBondContact O-N 2.87Å
369P87.1Confident82.4Confident84 Ų84125.6 Ų125.655%0.54563%0.628SS.*Hα-helixtrans-58.4-32.7-178.8-22.431.5000113.7F367 H373F367-P369 HydrophobicContact CD1-CG 3.97Å; F367-P369 HydrophobicContact CE1-CB 4.01Å; F367-P369 HydrophobicContact CE1-CG 3.78Å; P369-H373 WeakPolarHBondContact O-CB 3.33Å; P369-H373 PolarHBondContact O-N 3.06Å; P369-H373 VanDerWaalsContact O-N 3.09Å
370E84.2Confident81.2Confident149 Ų149124.8 Ų124.870%0.69663%0.625SS**Hα-helixtrans-71.5-40.6-178.5-65.4-173.6171.200110.9D368 Q374D368-E370 PolarHBondContact O-N 2.82Å; D368-E370 PolarHBondContact OD1-N 3.19Å; E370-Q374 WeakPolarHBondContact O-CG 3.13Å; E370-Q374 PolarHBondContact O-N 3.18Å
371F82.9Confident79.8Confident120 Ų120122.6 Ų122.653%0.52662%0.615SS.*Hα-helixtrans-70.2-38.7176.7-174.4-109000112.3D368 Q374 Q375D368-F371 HydrophobicContact CB-CB 3.98Å; D368-F371 PolarHBondContact O-N 2.8Å; F371-Q374 PolarHBondContact O-N 3.14Å; F371-Q375 HydrophobicContact CE1-CG 4.36Å; F371-Q375 HydrophobicContact CZ-CG 4.45Å; F371-Q375 VanDerWaalsContact CZ-NE2 3.3Å; F371-Q375 PolarHBondContact O-N 3.39Å
372D86Confident78.4Confident56 Ų56121.1 Ų121.130%0.29960%0.6SS.*Hα-helixtrans-65-42.6177.2-171.871.3000111.8F367 D368 Q374 Q375 Q376F367-D372 HydrophobicContact CE2-CB 3.54Å; F367-D372 HydrophobicContact CZ-CB 3.65Å; D368-D372 PolarHBondContact O-N 2.87Å; D372-Q374 PolarHBondContact O-N 3.21Å; D372-Q375 PolarHBondContact O-N 2.85Å; D372-Q375 VanDerWaalsContact O-N 3.15Å; D372-Q376 WeakPolarHBondContact O-CG 3.38Å; D372-Q376 PolarHBondContact O-N 3.3Å; D372-Q376 PolarHBondContact OD2-NE2 2.94Å
373H81.5Confident76.8Confident108 Ų108122.6 Ų122.650%0.559%0.593SS.*Hα-helixtrans-61.3-45.3177.6-166.957.3000112P369 Q375 Q376 E377P369-H373 WeakPolarHBondContact O-CB 3.33Å; P369-H373 PolarHBondContact O-N 3.06Å; P369-H373 VanDerWaalsContact O-N 3.09Å; H373-Q375 VanDerWaalsContact C-N 3.28Å; H373-Q375 PolarHBondContact O-N 2.84Å; H373-Q376 PolarHBondContact O-N 3.44Å; H373-Q376 VanDerWaalsContact O-N 3.16Å; H373-E377 IonicContact NE2-OE1 3.29Å; H373-E377 WeakPolarHBondContact O-CG 3.24Å; H373-E377 PolarHBondContact O-N 2.77Å
374Q83.1Confident75.1Confident110 Ų110123.1 Ų123.151%0.51460%0.595SS.*Hα-helixtrans-62.1-34.9175.6-70.4175.128.600112.6E370 F371 D372 R378E370-Q374 WeakPolarHBondContact O-CG 3.13Å; E370-Q374 PolarHBondContact O-N 3.18Å; F371-Q374 PolarHBondContact O-N 3.14Å; D372-Q374 PolarHBondContact O-N 3.21Å; Q374-R378 WeakPolarHBondContact O-CG 3.43Å; Q374-R378 PolarHBondContact O-N 2.92Å
375Q80.5Confident73.5Confident105 Ų105121.8 Ų121.849%0.49159%0.589SS.*Hα-helixtrans-69.8-40.9173.5-81-153.337.700112.3F371 D372 H373 R378 R379F371-Q375 HydrophobicContact CE1-CG 4.36Å; F371-Q375 HydrophobicContact CZ-CG 4.45Å; F371-Q375 VanDerWaalsContact CZ-NE2 3.3Å; F371-Q375 PolarHBondContact O-N 3.39Å; D372-Q375 PolarHBondContact O-N 2.85Å; D372-Q375 VanDerWaalsContact O-N 3.15Å; H373-Q375 VanDerWaalsContact C-N 3.28Å; H373-Q375 PolarHBondContact O-N 2.84Å; Q375-R378 PolarHBondContact O-N 3.04Å; Q375-R379 WeakPolarHBondContact O-CB 3.44Å; Q375-R379 PolarHBondContact O-N 3.35Å
376Q79.4Confident72Confident117 Ų117120.2 Ų120.255%0.54759%0.589SS.*Hα-helixtrans-63.8-41.9177.5-73.2-174.717.300111.8D372 H373 R379 G380D372-Q376 WeakPolarHBondContact O-CG 3.38Å; D372-Q376 PolarHBondContact O-N 3.3Å; D372-Q376 PolarHBondContact OD2-NE2 2.94Å; H373-Q376 PolarHBondContact O-N 3.44Å; H373-Q376 VanDerWaalsContact O-N 3.16Å; Q376-R379 PolarHBondContact O-N 3.15Å; Q376-G380 PolarHBondContact O-N 3.15Å
377E77.1Confident70.3Confident116 Ų116120.8 Ų120.854%0.54259%0.585SS.*Hα-helixtrans-58.8-48.6174.2-72.4-175.4150.100111.1H373 R379 G380 E381H373-E377 IonicContact NE2-OE1 3.29Å; H373-E377 WeakPolarHBondContact O-CG 3.24Å; H373-E377 PolarHBondContact O-N 2.77Å; E377-R379 VanDerWaalsContact C-N 3.29Å; E377-R379 PolarHBondContact O-N 2.83Å; E377-G380 PolarHBondContact O-N 3.25Å; E377-E381 PolarHBondContact O-N 3.41Å; E377-E381 VanDerWaalsContact O-N 3.14Å
378R72.7Confident68.2Low182 Ų182117.3 Ų117.369%0.68759%0.589SS**Hα-helixtrans-62.5-34.2175.9-75.7179.2178.6-117.10.7113.3Q374 Q375 V382Q374-R378 WeakPolarHBondContact O-CG 3.43Å; Q374-R378 PolarHBondContact O-N 2.92Å; Q375-R378 PolarHBondContact O-N 3.04Å; R378-V382 WeakPolarHBondContact O-CG2 3.29Å; R378-V382 PolarHBondContact O-N 2.8Å
379R65.2Low65.8Low164 Ų164118.1 Ų118.162%0.61960%0.602SS**Hα-helixtrans-76.7-33.2-179.9-141.8-177.6178.1-175.6-0.7111.4Q375 Q376 E377 E381 V382 Y383Q375-R379 WeakPolarHBondContact O-CB 3.44Å; Q375-R379 PolarHBondContact O-N 3.35Å; Q376-R379 PolarHBondContact O-N 3.15Å; E377-R379 VanDerWaalsContact C-N 3.29Å; E377-R379 PolarHBondContact O-N 2.83Å; R379-E381 VanDerWaalsContact C-N 3.34Å; R379-V382 PolarHBondContact O-N 2.85Å; R379-Y383 HydrophobicContact CG-CD2 4.45Å; R379-Y383 HydrophobicContact CG-CE2 3.88Å; R379-Y383 WeakPolarHBondContact O-CD2 3.34Å; R379-Y383 PolarHBondContact O-N 2.77Å
380G59.5Low63.3Low37 Ų37123 Ų12338%0.38162%0.617SS.*Hα-helixtrans-59.9-43.9170.700000111.7Q376 E377 V382 Y383 E384Q376-G380 PolarHBondContact O-N 3.15Å; E377-G380 PolarHBondContact O-N 3.25Å; G380-V382 VanDerWaalsContact C-N 3.27Å; G380-V382 PolarHBondContact O-N 2.86Å; G380-Y383 PolarHBondContact O-N 3.48Å; G380-E384 PolarHBondContact O-N 2.83Å
381E56Low61.1Low137 Ų137121.4 Ų121.464%0.6462%0.622SS**Hα-helixtrans-61.3-32.2175.1-69.3178.8160.900112.8E377 R379E377-E381 PolarHBondContact O-N 3.41Å; E377-E381 VanDerWaalsContact O-N 3.14Å; R379-E381 VanDerWaalsContact C-N 3.34Å
382V54.7Low59Low93 Ų93120.6 Ų120.656%0.56463%0.631SS**Hα-helixtrans-78.3-21.9-178.4174.90000113.3R378 R379 G380R378-V382 WeakPolarHBondContact O-CG2 3.29Å; R378-V382 PolarHBondContact O-N 2.8Å; R379-V382 PolarHBondContact O-N 2.85Å; G380-V382 VanDerWaalsContact C-N 3.27Å; G380-V382 PolarHBondContact O-N 2.86Å
383Y53.5Low57.3Low156 Ų156124.4 Ų124.461%0.61265%0.652SS**Hα-helixtrans-93.8-11.8176-68.5-67.8000113.4R379 G380 D385R379-Y383 HydrophobicContact CG-CD2 4.45Å; R379-Y383 HydrophobicContact CG-CE2 3.88Å; R379-Y383 WeakPolarHBondContact O-CD2 3.34Å; R379-Y383 PolarHBondContact O-N 2.77Å; G380-Y383 PolarHBondContact O-N 3.48Å; Y383-D385 VanDerWaalsContact C-N 3.27Å; Y383-D385 PolarHBondContact O-N 3.42Å
384E49.7Very low55.4Low168 Ų168125 Ų12579%0.78567%0.665SS**THydrogen-bonded Turntrans-78.9-7.1172.7-72.6-169.4165.600113.5G380G380-E384 PolarHBondContact O-N 2.83Å
385D51.2Low53.8Low146 Ų146131.4 Ų131.478%0.78169%0.685SS**THydrogen-bonded Turntrans-98.50.3-176.9-85.1-29.8000115.5Y383Y383-D385 VanDerWaalsContact C-N 3.27Å; Y383-D385 PolarHBondContact O-N 3.42Å
386V50.6Low52.3Low110 Ų110131.9 Ų131.967%0.66769%0.694SS**SBendtrans-111.3-15-170.8-169.10000114.6
387D48.1Very low50.4Low148 Ų148135.4 Ų135.479%0.79171%0.711SS**SBendtrans-121.7105-178.4-67.5-34.6000112.7
388G43.1Very low49.1Very low67 Ų67135 Ų13569%0.69172%0.72SS**  trans84.292.4137.400000118.9
389S35.2Very low47.6Very low108 Ų108131.1 Ų131.176%0.75573%0.726SS**  37.912412860.30000120.7
390E36.1Very low46.8Very low186 Ų186128.7 Ų128.787%0.86974%0.735SS**  trans72.992152.1-63.7-175.611200117.9
391S38Very low46Very low116 Ų116135.6 Ų135.681%0.81179%0.788SS**  159.3146114.757.40000112.6
392S37.7Very low45.5Very low102 Ų102135.6 Ų135.671%0.71380%0.796SS**  trans69.7129.4162154.90000116.1
393N50.3Low45Very low137 Ų137137.8 Ų137.873%0.73381%0.808SS**  cis-174.8147.61.2-105.6-41.2000103.8R395N393-R395 PolarHBondContact O-N 2.97Å
394P40.9Very low44.5Very low120 Ų120136.8 Ų136.878%0.77982%0.819SS**  trans-72.8101.617729-29.7000109.6V396P394-V396 PolarHBondContact O-N 3.47Å; P394-V396 VanDerWaalsContact O-N 3.09Å
395R49.7Very low44.2Very low245 Ų245134.9 Ų134.993%0.92582%0.821SS**  trans-77.998174.6-162172.1-176.1166.7-0.5109.3N393 Q397N393-R395 PolarHBondContact O-N 2.97Å; R395-Q397 PolarHBondContact O-N 3Å
396V49.2Very low43.8Very low114 Ų114134.3 Ų134.369%0.69182%0.823SS**  trans-45.3121.1172-177.70000111.1P394 C398P394-V396 PolarHBondContact O-N 3.47Å; P394-V396 VanDerWaalsContact O-N 3.09Å; V396-C398 PolarHBondContact O-N 3.1Å
397Q39.8Very low43.3Very low192 Ų192135.9 Ų135.990%0.89783%0.834SS**  trans-73.2103.6163.1-81-179.5-23.800108.7R395R395-Q397 PolarHBondContact O-N 3Å
398C49.8Very low43Very low107 Ų107135 Ų13572%0.72384%0.837SS**  trans-91.397.7159.7-67.80000107.9V396V396-C398 PolarHBondContact O-N 3.1Å
399A40.7Very low43Very low100 Ų100140.2 Ų140.283%0.82685%0.848SS**  trans-59.3133.9156.900000108.7
400S48Very low43.6Very low113 Ų113142.9 Ų142.979%0.7986%0.856SS**  trans-131.7126.8169.6-62.50000108.2
401A43.1Very low44.3Very low183 Ų183139 Ų139100%1.51286%0.855SS**  trans76.80-171.800000116.4

Retrieved 401 of 401 residues in 688.4 ms (Link to these results)

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