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Cofilin-2

Controls reversibly actin polymerization and depolymerization in a pH-sensitive manner. It has the ability to bind G- and F-actin in a 1:1 ratio of cofilin to actin. It is the major component of intranuclear and cytoplasmic actin rods (By similarity).

AlphaFold DB , UniProt , Accession Q148F1, Species BOVIN (Bos taurus, Bovine), Gene CFL2, Length 166 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
1M46Very low80.7Confident225 Ų22572.1 Ų72.1100%1.10844%0.44SS*.  0115.10-79.7177.3-103.300107.7
2A55.5Low81.7Confident101 Ų10168.8 Ų68.884%0.83542%0.417SS*.  trans-76.9125.3169.800000107.3G4A2-G4 PolarHBondContact O-N 3.27Å
3S63.1Low82.5Confident44 Ų4475.5 Ų75.531%0.30844%0.438SS..  trans-671.1-176.546.30000114.3V5 S119 S120S3-V5 PolarHBondContact O-N 2.77Å; S3-S119 PolarHBondContact OG-O 3.41Å; S3-S120 WeakPolarHBondContact CB-OG 3.03Å; S3-S120 VanDerWaalsContact OG-CA 3.32Å; S3-S120 WeakPolarHBondContact OG-CA 3.47Å; S3-S120 WeakPolarHBondContact OG-CB 3.48Å; S3-S120 PolarHBondContact OG-N 3.14Å; S3-S120 PolarHBondContact OG-OG 3.42Å
4G78.4Confident83.3Confident63 Ų6370.7 Ų70.765%0.64941%0.41SS*.  trans65.82.9-172.900000113.4A2 T6A2-G4 PolarHBondContact O-N 3.27Å; G4-T6 PolarHBondContact O-N 3.03Å
5V86.7Confident83.9Confident11 Ų1166.1 Ų66.17%0.06738%0.383CS..  trans-77.5122.5-177.6-179.30000109.6S3 L40 K44 R45 I47 I116 S120S3-V5 PolarHBondContact O-N 2.77Å; V5-L40 HydrophobicContact CG1-CD2 3.66Å; V5-L40 HydrophobicContact CG2-CD2 4.36Å; V5-K44 VanDerWaalsContact CG2-O 3.25Å; V5-K44 WeakPolarHBondContact CG2-O 3.25Å; V5-R45 CarbonylContact C-O 3.54Å; V5-R45 WeakPolarHBondContact CA-O 3.49Å; V5-I47 HydrophobicContact CG1-CD1 4.19Å; V5-I47 HydrophobicContact CG1-CG1 3.73Å; V5-I116 HydrophobicContact CG2-CG2 4.39Å; V5-S120 WeakPolarHBondContact CB-OG 3.5Å; V5-S120 WeakPolarHBondContact CG2-OG 3.47Å
6T90.9Very high84.4Confident72 Ų7266.3 Ų66.344%0.44238%0.382SS..EExtended strand (participates in β ladder)trans-88.9161.9174.561.90000110.8G4 R45 Q46 I47G4-T6 PolarHBondContact O-N 3.03Å; T6-R45 PolarHBondContact N-O 3.01Å; T6-R45 PolarHBondContact OG1-O 3.44Å; T6-Q46 CarbonylContact O-C 3.52Å; T6-Q46 VanDerWaalsContact O-CA 3.25Å; T6-Q46 WeakPolarHBondContact O-CA 3.3Å; T6-Q46 WeakPolarHBondContact OG1-CG 3.38Å; T6-Q46 PolarHBondContact OG1-NE2 3.14Å; T6-I47 PolarHBondContact O-N 3.21Å
7V92.6Very high84.8Confident17 Ų1766.6 Ų66.610%0.10338%0.382CS..EExtended strand (participates in β ladder)trans-105.6123.5175.7-177.60000107V11 I12 I47 A123 I124 K127V7-V11 HydrophobicContact CG1-CB 3.77Å; V7-V11 HydrophobicContact CG1-CG1 3.78Å; V7-V11 HydrophobicContact CG1-CG2 4.38Å; V7-I12 HydrophobicContact CG1-CG1 4.12Å; V7-I47 HydrophobicContact CG2-CD1 4.41Å; V7-A123 HydrophobicContact CG2-CB 4.36Å; V7-I124 HydrophobicContact CG1-CG1 4.49Å; V7-I124 HydrophobicContact CG2-CB 4.18Å; V7-K127 HydrophobicContact CB-CG 3.94Å; V7-K127 HydrophobicContact CG1-CB 4.44Å; V7-K127 HydrophobicContact CG1-CG 4.1Å; V7-K127 HydrophobicContact CG2-CG 3.87Å
8N93.9Very high85.1Confident50 Ų5063.1 Ų63.127%0.26736%0.362SS..  trans-63.1138175.9-173.8-44.6000109.8E10 V11 I47 I48N8-E10 PolarHBondContact O-N 2.98Å; N8-E10 VanDerWaalsContact O-N 3.1Å; N8-E10 WeakPolarHBondContact OD1-CB 3.23Å; N8-E10 PolarHBondContact OD1-N 3.24Å; N8-V11 HydrophobicContact CB-CG2 4.32Å; N8-V11 VanDerWaalsContact O-CB 3.28Å; N8-V11 WeakPolarHBondContact O-CB 3.33Å; N8-V11 PolarHBondContact O-N 3.43Å; N8-I47 WeakPolarHBondContact CB-O 3.14Å; N8-I47 PolarHBondContact N-O 2.87Å; N8-I48 HydrophobicContact CB-CG2 4.12Å
9D93.2Very high85.3Confident126 Ų12664.5 Ų64.567%0.67436%0.363SS*.Hα-helixtrans-54.9-28.3179.2-69.9-83.1000113.3V11 I12 K13D9-V11 VanDerWaalsContact C-N 3.31Å; D9-V11 PolarHBondContact O-N 2.82Å; D9-I12 WeakPolarHBondContact O-CB 3.21Å; D9-I12 PolarHBondContact O-N 3.47Å; D9-I12 VanDerWaalsContact O-N 3.16Å; D9-K13 PolarHBondContact O-N 2.67Å
10E93.6Very high85.3Confident84 Ų8465.3 Ų65.339%0.39337%0.37SS..Hα-helixtrans-62.8-37.1175.2-168169.377.200112.7N8 I12 K13 V14 V49N8-E10 PolarHBondContact O-N 2.98Å; N8-E10 VanDerWaalsContact O-N 3.1Å; N8-E10 WeakPolarHBondContact OD1-CB 3.23Å; N8-E10 PolarHBondContact OD1-N 3.24Å; E10-I12 VanDerWaalsContact C-N 3.27Å; E10-I12 PolarHBondContact O-N 2.96Å; E10-K13 WeakPolarHBondContact O-CB 2.97Å; E10-K13 PolarHBondContact O-N 2.96Å; E10-V14 WeakPolarHBondContact O-CB 3.43Å; E10-V14 WeakPolarHBondContact O-CG2 3.37Å; E10-V14 PolarHBondContact O-N 3.18Å; E10-V49 HydrophobicContact CB-CG2 4.2Å; E10-V49 HydrophobicContact CG-CG2 3.85Å
11V93.9Very high85.1Confident0 Ų064.7 Ų64.70%036%0.362CS..Hα-helixtrans-61.3-40.1175176.60000110.5V7 N8 D9 F15 F38 I47 V49 I124 F128V7-V11 HydrophobicContact CG1-CB 3.77Å; V7-V11 HydrophobicContact CG1-CG1 3.78Å; V7-V11 HydrophobicContact CG1-CG2 4.38Å; N8-V11 HydrophobicContact CB-CG2 4.32Å; N8-V11 VanDerWaalsContact O-CB 3.28Å; N8-V11 WeakPolarHBondContact O-CB 3.33Å; N8-V11 PolarHBondContact O-N 3.43Å; D9-V11 VanDerWaalsContact C-N 3.31Å; D9-V11 PolarHBondContact O-N 2.82Å; V11-F15 PolarHBondContact O-N 3.01Å; V11-F38 HydrophobicContact CB-CD1 4.19Å; V11-F38 HydrophobicContact CB-CE1 4.19Å; V11-F38 HydrophobicContact CG1-CD1 3.71Å; V11-F38 HydrophobicContact CG1-CE1 3.7Å; V11-F38 HydrophobicContact CG1-CG 4.3Å; V11-F38 HydrophobicContact CG1-CZ 4.27Å; V11-F38 HydrophobicContact CG2-CD1 3.79Å; V11-F38 HydrophobicContact CG2-CE1 4.22Å; V11-I47 HydrophobicContact CG2-CG2 4.35Å; V11-I47 WeakPolarHBondContact CG2-O 3.28Å; V11-V49 HydrophobicContact CB-CG2 4.42Å; V11-V49 HydrophobicContact CG2-CG2 3.8Å; V11-I124 HydrophobicContact CG1-CD1 4.04Å; V11-I124 HydrophobicContact CG1-CG1 4.22Å; V11-F128 HydrophobicContact CG1-CE1 3.7Å; V11-F128 HydrophobicContact CG1-CZ 3.71Å
12I92.7Very high86.1Confident32 Ų3261.7 Ų61.716%0.16434%0.342CS..Hα-helixtrans-68.7-43.4178-50.6178.2000110.1V7 D9 E10 F15 N16 K127V7-I12 HydrophobicContact CG1-CG1 4.12Å; D9-I12 WeakPolarHBondContact O-CB 3.21Å; D9-I12 PolarHBondContact O-N 3.47Å; D9-I12 VanDerWaalsContact O-N 3.16Å; E10-I12 VanDerWaalsContact C-N 3.27Å; E10-I12 PolarHBondContact O-N 2.96Å; I12-F15 PolarHBondContact O-N 3.38Å; I12-N16 PolarHBondContact O-N 3.21Å; I12-N16 PolarHBondContact O-ND2 2.79Å; I12-N16 VanDerWaalsContact O-ND2 3.16Å; I12-K127 HydrophobicContact CD1-CB 4.35Å; I12-K127 HydrophobicContact CD1-CD 3.82Å; I12-K127 HydrophobicContact CD1-CG 4.08Å; I12-K127 HydrophobicContact CG1-CB 4.1Å; I12-K127 HydrophobicContact CG1-CD 4.49Å; I12-K127 HydrophobicContact CG1-CG 4.28Å
13K92.6Very high86.8Confident157 Ų15758.1 Ų58.168%0.68331%0.312SS*.Hα-helixtrans-59.5-47.6176.4-173.9-178.7177.9-174.70111.1D9 E10 N16 D17D9-K13 PolarHBondContact O-N 2.67Å; E10-K13 WeakPolarHBondContact O-CB 2.97Å; E10-K13 PolarHBondContact O-N 2.96Å; K13-N16 PolarHBondContact O-N 3.08Å; K13-D17 WeakPolarHBondContact O-CB 3.43Å; K13-D17 PolarHBondContact O-N 2.93Å
14V92.9Very high87.2Confident8 Ų861.7 Ų61.75%0.04834%0.336CS..Hα-helixtrans-61.1-45.5177.6167.90000111.6E10 N16 D17 M18 K33 V36 F38 V49E10-V14 WeakPolarHBondContact O-CB 3.43Å; E10-V14 WeakPolarHBondContact O-CG2 3.37Å; E10-V14 PolarHBondContact O-N 3.18Å; V14-N16 PolarHBondContact O-N 3.2Å; V14-D17 PolarHBondContact O-N 3.38Å; V14-M18 HydrophobicContact CG1-SD 4.08Å; V14-M18 WeakPolarHBondContact O-CG 3.3Å; V14-M18 PolarHBondContact O-N 2.76Å; V14-K33 HydrophobicContact CG1-CD 3.94Å; V14-V36 HydrophobicContact CG1-CB 4.42Å; V14-V36 HydrophobicContact CG1-CG1 3.8Å; V14-V36 HydrophobicContact CG1-CG2 4.21Å; V14-F38 HydrophobicContact CB-CE1 4.5Å; V14-F38 HydrophobicContact CG1-CE1 4.23Å; V14-F38 HydrophobicContact CG1-CZ 4.12Å; V14-V49 HydrophobicContact CG2-CG1 4.46Å; V14-V49 HydrophobicContact CG2-CG2 4.09Å
15F93.1Very high87.5Confident1 Ų161.9 Ų61.90%0.00433%0.325CS..Hα-helixtrans-59.7-46.7176.6169.4-102.3000112.4V11 I12 D17 M18 K19 L84 L99 F128 I131V11-F15 PolarHBondContact O-N 3.01Å; I12-F15 PolarHBondContact O-N 3.38Å; F15-D17 PolarHBondContact O-N 3.4Å; F15-M18 PolarHBondContact O-N 3.1Å; F15-K19 HydrophobicContact CE1-CD 4Å; F15-K19 HydrophobicContact CZ-CD 3.92Å; F15-K19 VanDerWaalsContact O-CB 3.26Å; F15-K19 WeakPolarHBondContact O-CB 3.34Å; F15-K19 PolarHBondContact O-N 2.89Å; F15-L84 HydrophobicContact CB-CD1 3.93Å; F15-L84 HydrophobicContact CD2-CD1 3.65Å; F15-L84 HydrophobicContact CD2-CD2 4.21Å; F15-L84 HydrophobicContact CG-CD1 4.29Å; F15-L99 HydrophobicContact CE2-CD1 4.41Å; F15-F128 HydrophobicContact CB-CD1 3.58Å; F15-F128 HydrophobicContact CB-CE1 3.48Å; F15-F128 VanDerWaalsContact CB-CE1 3.48Å; F15-F128 HydrophobicContact CB-CG 4.5Å; F15-F128 HydrophobicContact CB-CZ 4.32Å; F15-F128 HydrophobicContact CD1-CB 4.43Å; F15-F128 AromaticContact CD1-CD1 3.9Å; F15-F128 HydrophobicContact CD1-CD1 3.9Å; F15-F128 HydrophobicContact CD1-CG 4.46Å; F15-F128 HydrophobicContact CD2-CB 3.94Å; F15-F128 AromaticContact CD2-CD1 3.62Å; F15-F128 HydrophobicContact CD2-CD1 3.62Å; F15-F128 HydrophobicContact CD2-CD2 4.26Å; F15-F128 HydrophobicContact CD2-CE1 4.14Å; F15-F128 AromaticContact CD2-CG 3.69Å; F15-F128 HydrophobicContact CD2-CG 3.69Å; F15-F128 HydrophobicContact CE1-CB 4.2Å; F15-F128 HydrophobicContact CE2-CB 3.68Å; F15-F128 HydrophobicContact CE2-CD1 4.26Å; F15-F128 AromaticContact CE2-CG 3.96Å; F15-F128 HydrophobicContact CE2-CG 3.96Å; F15-F128 HydrophobicContact CG-CB 4.31Å; F15-F128 AromaticContact CG-CD1 3.39Å; F15-F128 HydrophobicContact CG-CD1 3.39Å; F15-F128 AromaticContact CG-CE1 3.85Å; F15-F128 HydrophobicContact CG-CE1 3.85Å; F15-F128 AromaticContact CG-CG 3.96Å; F15-F128 HydrophobicContact CG-CG 3.96Å; F15-F128 VanDerWaalsContact CZ-C 3.44Å; F15-F128 HydrophobicContact CZ-CB 3.81Å; F15-F128 HydrophobicContact CZ-CG 4.45Å; F15-I131 HydrophobicContact CE2-CB 4.3Å; F15-I131 HydrophobicContact CE2-CD1 4.09Å
16N91.9Very high87.2Confident70 Ų7068.8 Ų68.837%0.37436%0.357SS..Hα-helixtrans-64.9-40179.5-74.2-38.6000112I12 K13 V14 K19 V20I12-N16 PolarHBondContact O-N 3.21Å; I12-N16 PolarHBondContact O-ND2 2.79Å; I12-N16 VanDerWaalsContact O-ND2 3.16Å; K13-N16 PolarHBondContact O-N 3.08Å; V14-N16 PolarHBondContact O-N 3.2Å; N16-K19 PolarHBondContact O-N 3.35Å; N16-V20 WeakPolarHBondContact O-CG2 3.29Å; N16-V20 PolarHBondContact O-N 3.5Å
17D90.3Very high86.8Confident71 Ų7172.2 Ų72.238%0.3837%0.367SS..Hα-helixtrans-59.5-49.7175.6-175.8-112.3000111.6K13 V14 F15 K19 R21K13-D17 WeakPolarHBondContact O-CB 3.43Å; K13-D17 PolarHBondContact O-N 2.93Å; V14-D17 PolarHBondContact O-N 3.38Å; F15-D17 PolarHBondContact O-N 3.4Å; D17-K19 VanDerWaalsContact C-N 3.33Å; D17-K19 PolarHBondContact O-N 3.25Å; D17-R21 PolarHBondContact O-N 2.94Å
18M91.2Very high86.5Confident3 Ų375.4 Ų75.42%0.01538%0.381CS..Hα-helixtrans-62.4-39.4176.1-70.1179.678.300112.4V14 F15 R21 K33 V36 L84 D86 L99V14-M18 HydrophobicContact CG1-SD 4.08Å; V14-M18 WeakPolarHBondContact O-CG 3.3Å; V14-M18 PolarHBondContact O-N 2.76Å; F15-M18 PolarHBondContact O-N 3.1Å; M18-R21 WeakPolarHBondContact O-CG 3.45Å; M18-K33 HydrophobicContact CE-CB 4.32Å; M18-K33 WeakPolarHBondContact CE-O 3.32Å; M18-K33 HydrophobicContact CG-CB 4.02Å; M18-K33 HydrophobicContact SD-CB 4.07Å; M18-V36 HydrophobicContact CE-CG1 4.24Å; M18-V36 HydrophobicContact SD-CG1 3.48Å; M18-V36 WeakPolarHBondContact SD-CG1 3.4Å; M18-L84 HydrophobicContact CE-CB 4.02Å; M18-L84 HydrophobicContact SD-CB 4Å; M18-L84 HydrophobicContact SD-CD1 4.29Å; M18-D86 HydrophobicContact CE-CB 4.21Å; M18-L99 HydrophobicContact CB-CD1 4.07Å; M18-L99 HydrophobicContact CB-CD2 3.94Å; M18-L99 HydrophobicContact CE-CD2 3.76Å
19K88.2Confident86Confident90 Ų9076.1 Ų76.139%0.39138%0.384SS..Hα-helixtrans-69.7-45-175.9-177.6-178.4178.9-173.40112.8F15 N16 D17 L99 T129F15-K19 HydrophobicContact CE1-CD 4Å; F15-K19 HydrophobicContact CZ-CD 3.92Å; F15-K19 VanDerWaalsContact O-CB 3.26Å; F15-K19 WeakPolarHBondContact O-CB 3.34Å; F15-K19 PolarHBondContact O-N 2.89Å; N16-K19 PolarHBondContact O-N 3.35Å; D17-K19 VanDerWaalsContact C-N 3.33Å; D17-K19 PolarHBondContact O-N 3.25Å; K19-L99 VanDerWaalsContact CA-CD1 3.47Å; K19-L99 HydrophobicContact CB-CD1 3.78Å; K19-L99 HydrophobicContact CG-CD1 4.42Å; K19-T129 PolarHBondContact NZ-O 2.8Å
20V85.5Confident85.7Confident81 Ų8176.1 Ų76.149%0.49138%0.378SS..Hα-helixtrans-84.4-17-173.7-163.40000111.7N16 K22N16-V20 WeakPolarHBondContact O-CG2 3.29Å; N16-V20 PolarHBondContact O-N 3.5Å; V20-K22 HydrophobicContact CB-CD 4.28Å; V20-K22 HydrophobicContact CB-CG 3.92Å; V20-K22 HydrophobicContact CG1-CD 3.86Å; V20-K22 HydrophobicContact CG1-CG 3.5Å; V20-K22 VanDerWaalsContact CG1-CG 3.5Å; V20-K22 PolarHBondContact O-N 2.74Å; V20-K22 VanDerWaalsContact O-N 3.15Å
21R81Confident85.3Confident53 Ų5379 Ų7920%0.239%0.39CS..THydrogen-bonded Turntrans51.939.7175.7-53-177.6168.5-127.3-2.6112.2D17 M18 S23 R32 D86 E97D17-R21 PolarHBondContact O-N 2.94Å; M18-R21 WeakPolarHBondContact O-CG 3.45Å; R21-S23 PolarHBondContact O-N 2.82Å; R21-R32 VanDerWaalsContact CD-NH2 3.27Å; R21-R32 VanDerWaalsContact CZ-NH2 3.32Å; R21-R32 VanDerWaalsContact NH1-NH2 3.11Å; R21-D86 IonicContact CZ-OD1 2.98Å; R21-D86 VanDerWaalsContact CZ-OD1 3.28Å; R21-D86 IonicContact CZ-OD2 2.63Å; R21-D86 IonicContact NE-OD2 3.91Å; R21-D86 IonicContact NH1-OD1 4Å; R21-D86 IonicContact NH2-OD1 2.93Å; R21-D86 PolarHBondContact NH2-OD1 3.27Å; R21-D86 IonicContact NH2-OD2 2.66Å; R21-D86 PolarHBondContact NH2-OD2 3.23Å; R21-E97 IonicContact CZ-OE1 3.74Å; R21-E97 IonicContact CZ-OE2 2.78Å; R21-E97 IonicContact NH1-OE1 3.29Å; R21-E97 PolarHBondContact NH1-OE1 3.06Å; R21-E97 IonicContact NH1-OE2 3.45Å; R21-E97 PolarHBondContact NH1-OE2 2.72Å; R21-E97 IonicContact NH2-OE1 2.68Å
22K66.2Low85.1Confident161 Ų16180.6 Ų80.670%0.740%0.396SS*.  trans-74.167.1-175.4-72.8-179.5157.3172.30111.3V20V20-K22 HydrophobicContact CB-CD 4.28Å; V20-K22 HydrophobicContact CB-CG 3.92Å; V20-K22 HydrophobicContact CG1-CD 3.86Å; V20-K22 HydrophobicContact CG1-CG 3.5Å; V20-K22 VanDerWaalsContact CG1-CG 3.5Å; V20-K22 PolarHBondContact O-N 2.74Å; V20-K22 VanDerWaalsContact O-N 3.15Å
23S71.7Confident85.1Confident27 Ų2781 Ų8119%0.18940%0.396CS..  trans-132.3113.2178.2-540000108.8R21 E28 R32R21-S23 PolarHBondContact O-N 2.82Å; S23-E28 PolarHBondContact OG-O 2.71Å; S23-R32 VanDerWaalsContact OG-CD 3.32Å; S23-R32 WeakPolarHBondContact OG-CD 3.4Å; S23-R32 WeakPolarHBondContact OG-CG 3.28Å
24S70.5Confident85.1Confident118 Ų11873.8 Ų73.883%0.82537%0.365SS*.  trans-103.3-30.5179.6-59.10000111.5E28S24-E28 PolarHBondContact N-OE2 2.86Å
25T85Confident85.2Confident68 Ų6873.4 Ų73.442%0.41736%0.362SS..SBendtrans-89.5151.5177.863.40000111.3E27 E28 I29T25-E27 PolarHBondContact O-N 3.45Å; T25-E28 PolarHBondContact N-OE2 2.96Å; T25-E28 PolarHBondContact O-N 3Å; T25-E28 WeakPolarHBondContact OG1-CB 3.27Å; T25-E28 WeakPolarHBondContact OG1-CG 3.26Å; T25-E28 PolarHBondContact OG1-N 3.32Å; T25-E28 PolarHBondContact OG1-OE2 3.02Å; T25-I29 WeakPolarHBondContact O-CG1 3.35Å; T25-I29 PolarHBondContact O-N 2.93Å
26Q80.1Confident85.3Confident156 Ų15673.3 Ų73.373%0.72936%0.362SS*.Hα-helixtrans-58.5-35.6176.5-68.7-167.133.100112.1I29 K30Q26-I29 PolarHBondContact O-N 2.83Å; Q26-K30 WeakPolarHBondContact O-CG 3.22Å; Q26-K30 PolarHBondContact O-N 2.74Å
27E83.2Confident85.4Confident143 Ų14370 Ų7067%0.66834%0.344SS*.Hα-helixtrans-66-40.2177.8-66.4-179.882.100112.5T25 K30 K31T25-E27 PolarHBondContact O-N 3.45Å; E27-K30 PolarHBondContact O-N 2.74Å; E27-K31 WeakPolarHBondContact O-CG 3.34Å; E27-K31 PolarHBondContact O-N 2.89Å
28E85.5Confident85.6Confident84 Ų8466.6 Ų66.639%0.39333%0.326SS..Hα-helixtrans-68.7-39.6174.5-72.1173.2119.900111.7S23 S24 T25 K30 K31 R32S23-E28 PolarHBondContact OG-O 2.71Å; S24-E28 PolarHBondContact N-OE2 2.86Å; T25-E28 PolarHBondContact N-OE2 2.96Å; T25-E28 PolarHBondContact O-N 3Å; T25-E28 WeakPolarHBondContact OG1-CB 3.27Å; T25-E28 WeakPolarHBondContact OG1-CG 3.26Å; T25-E28 PolarHBondContact OG1-N 3.32Å; T25-E28 PolarHBondContact OG1-OE2 3.02Å; E28-K30 VanDerWaalsContact C-N 3.28Å; E28-K30 PolarHBondContact O-N 3.22Å; E28-K31 CarbonylContact O-C 3.59Å; E28-K31 PolarHBondContact O-N 2.8Å; E28-K31 VanDerWaalsContact O-N 3.07Å; E28-R32 PolarHBondContact O-N 2.91Å; E28-R32 VanDerWaalsContact O-N 3.17Å
29I84.1Confident85.8Confident65 Ų6567.1 Ų67.133%0.33333%0.33SS..Hα-helixtrans-60.1-43176.8-66.1166.6000109.7T25 Q26 K31 R32 V57T25-I29 WeakPolarHBondContact O-CG1 3.35Å; T25-I29 PolarHBondContact O-N 2.93Å; Q26-I29 PolarHBondContact O-N 2.83Å; I29-K31 PolarHBondContact O-N 3.38Å; I29-R32 VanDerWaalsContact O-CB 3.28Å; I29-R32 WeakPolarHBondContact O-CB 3.35Å; I29-R32 PolarHBondContact O-N 2.88Å; I29-R32 VanDerWaalsContact O-N 3.09Å; I29-V57 HydrophobicContact CG2-CG1 4.26Å
30K85.8Confident86Confident126 Ų12663.7 Ų63.755%0.54832%0.316SS..Hα-helixtrans-60.9-33.5176.2-74.1-176.9179.5-166.90112.9Q26 E27 E28 R32 L56 G58Q26-K30 WeakPolarHBondContact O-CG 3.22Å; Q26-K30 PolarHBondContact O-N 2.74Å; E27-K30 PolarHBondContact O-N 2.74Å; E28-K30 VanDerWaalsContact C-N 3.28Å; E28-K30 PolarHBondContact O-N 3.22Å; K30-R32 VanDerWaalsContact C-N 3.31Å; K30-L56 WeakPolarHBondContact O-CB 3.4Å; K30-G58 WeakPolarHBondContact O-CA 3.37Å; K30-G58 PolarHBondContact O-N 2.79Å
31K86.9Confident86.2Confident146 Ų14660.8 Ų60.864%0.63530%0.299SS*.Hα-helixtrans-80.8-6.4177.7-70175-177.9174.50114E27 E28 I29E27-K31 WeakPolarHBondContact O-CG 3.34Å; E27-K31 PolarHBondContact O-N 2.89Å; E28-K31 CarbonylContact O-C 3.59Å; E28-K31 PolarHBondContact O-N 2.8Å; E28-K31 VanDerWaalsContact O-N 3.07Å; I29-K31 PolarHBondContact O-N 3.38Å
32R89.4Confident86.6Confident33 Ų3366.2 Ų66.213%0.12533%0.332CS..SBendtrans-63.8139.9175.8-72-178.958.5-164-15.3109.9R21 S23 E28 I29 K30 K34 L56 V57 D86R21-R32 VanDerWaalsContact CD-NH2 3.27Å; R21-R32 VanDerWaalsContact CZ-NH2 3.32Å; R21-R32 VanDerWaalsContact NH1-NH2 3.11Å; S23-R32 VanDerWaalsContact OG-CD 3.32Å; S23-R32 WeakPolarHBondContact OG-CD 3.4Å; S23-R32 WeakPolarHBondContact OG-CG 3.28Å; E28-R32 PolarHBondContact O-N 2.91Å; E28-R32 VanDerWaalsContact O-N 3.17Å; I29-R32 VanDerWaalsContact O-CB 3.28Å; I29-R32 WeakPolarHBondContact O-CB 3.35Å; I29-R32 PolarHBondContact O-N 2.88Å; I29-R32 VanDerWaalsContact O-N 3.09Å; K30-R32 VanDerWaalsContact C-N 3.31Å; R32-K34 PolarHBondContact O-N 3.49Å; R32-L56 CarbonylContact O-C 3.49Å; R32-L56 VanDerWaalsContact O-CA 3.24Å; R32-L56 WeakPolarHBondContact O-CA 3.48Å; R32-V57 HydrophobicContact CB-CB 4.25Å; R32-V57 HydrophobicContact CB-CG2 3.8Å; R32-V57 PolarHBondContact O-N 3.28Å; R32-D86 IonicContact NH2-OD1 3.08Å; R32-D86 PolarHBondContact NH2-OD1 3.18Å
33K92.1Very high87.6Confident39 Ų3963.3 Ų63.317%0.1732%0.324CS..EExtended strand (participates in β ladder)trans-80.9121.1173.9-58.4-175.1-175.174.60108.9V14 M18 V36 I55 L56V14-K33 HydrophobicContact CG1-CD 3.94Å; M18-K33 HydrophobicContact CE-CB 4.32Å; M18-K33 WeakPolarHBondContact CE-O 3.32Å; M18-K33 HydrophobicContact CG-CB 4.02Å; M18-K33 HydrophobicContact SD-CB 4.07Å; K33-V36 HydrophobicContact CD-CB 4.23Å; K33-V36 HydrophobicContact CD-CG2 4.38Å; K33-I55 CarbonylContact C-O 3.57Å; K33-L56 HydrophobicContact CG-CD2 3.89Å
34K92.6Very high88.2Confident6 Ų666.4 Ų66.43%0.02633%0.334CS..EExtended strand (participates in β ladder)trans-79.4-42.2168.4-176.469172.1172.80110.5R32 I55 V57 I60 P67 D86 T88 E162R32-K34 PolarHBondContact O-N 3.49Å; K34-I55 WeakPolarHBondContact CA-O 3.45Å; K34-I55 HydrophobicContact CB-CB 4.46Å; K34-I55 HydrophobicContact CB-CG2 4.18Å; K34-I55 WeakPolarHBondContact CB-O 3.2Å; K34-I55 PolarHBondContact N-O 2.82Å; K34-V57 HydrophobicContact CB-CG2 4.01Å; K34-V57 HydrophobicContact CD-CG2 4.41Å; K34-I60 HydrophobicContact CB-CD1 4.12Å; K34-I60 HydrophobicContact CD-CD1 3.82Å; K34-I60 HydrophobicContact CG-CD1 3.75Å; K34-P67 HydrophobicContact CG-CB 4.01Å; K34-D86 HydrophobicContact CD-CB 4.36Å; K34-D86 WeakPolarHBondContact CD-O 3.44Å; K34-D86 WeakPolarHBondContact CE-O 3.41Å; K34-D86 PolarHBondContact NZ-O 3.48Å; K34-D86 WeakPolarHBondContact O-CB 3.16Å; K34-D86 PolarHBondContact O-N 2.99Å; K34-T88 PolarHBondContact NZ-OG1 2.83Å; K34-E162 VanDerWaalsContact CE-CD 3.41Å; K34-E162 WeakPolarHBondContact CE-OE1 3.39Å; K34-E162 WeakPolarHBondContact CE-OE2 3.47Å; K34-E162 IonicContact NZ-OE1 3.53Å; K34-E162 PolarHBondContact NZ-OE1 3.38Å; K34-E162 IonicContact NZ-OE2 3.28Å; K34-E162 PolarHBondContact NZ-OE2 3.23Å
35A94.2Very high89.1Confident0 Ų068.8 Ų68.80%033%0.325CS..EExtended strand (participates in β ladder)trans-140.6145.6176.700000110.3Q54 I55 F71 L84 Y85A35-Q54 CarbonylContact O-C 3.52Å; A35-Q54 VanDerWaalsContact O-CA 3.25Å; A35-Q54 WeakPolarHBondContact O-CA 3.45Å; A35-Q54 WeakPolarHBondContact O-CB 2.9Å; A35-I55 HydrophobicContact CB-CB 4.07Å; A35-I55 HydrophobicContact CB-CD1 4.22Å; A35-I55 HydrophobicContact CB-CG1 4.27Å; A35-I55 PolarHBondContact N-O 2.95Å; A35-I55 VanDerWaalsContact N-O 3.15Å; A35-I55 PolarHBondContact O-N 3.41Å; A35-F71 HydrophobicContact CB-CB 4.28Å; A35-F71 HydrophobicContact CB-CD2 3.66Å; A35-F71 HydrophobicContact CB-CE2 4.41Å; A35-F71 HydrophobicContact CB-CG 4.23Å; A35-L84 WeakPolarHBondContact CA-O 3.32Å; A35-Y85 HydrophobicContact CB-CD2 3.71Å; A35-Y85 HydrophobicContact CB-CE2 4.2Å
36V95Very high89.5Confident0 Ų069.6 Ų69.60%032%0.324CS..EExtended strand (participates in β ladder)trans-146.7135.2174.9590000109.8V14 M18 K33 F38 V49 Q54 A83 L84V14-V36 HydrophobicContact CG1-CB 4.42Å; V14-V36 HydrophobicContact CG1-CG1 3.8Å; V14-V36 HydrophobicContact CG1-CG2 4.21Å; M18-V36 HydrophobicContact CE-CG1 4.24Å; M18-V36 HydrophobicContact SD-CG1 3.48Å; M18-V36 WeakPolarHBondContact SD-CG1 3.4Å; K33-V36 HydrophobicContact CD-CB 4.23Å; K33-V36 HydrophobicContact CD-CG2 4.38Å; V36-F38 HydrophobicContact CB-CZ 4.45Å; V36-F38 HydrophobicContact CG1-CE1 4.29Å; V36-F38 HydrophobicContact CG1-CE2 3.84Å; V36-F38 HydrophobicContact CG1-CZ 3.49Å; V36-F38 VanDerWaalsContact CG1-CZ 3.49Å; V36-F38 HydrophobicContact CG2-CE1 4.15Å; V36-F38 HydrophobicContact CG2-CZ 4.16Å; V36-V49 HydrophobicContact CG2-CG1 3.61Å; V36-Q54 HydrophobicContact CB-CB 4.43Å; V36-Q54 HydrophobicContact CG2-CB 4.41Å; V36-A83 CarbonylContact O-C 3.51Å; V36-A83 WeakPolarHBondContact O-CA 3.23Å; V36-A83 WeakPolarHBondContact O-CB 3.26Å; V36-L84 HydrophobicContact CG1-CB 3.89Å; V36-L84 PolarHBondContact N-O 3.39Å; V36-L84 PolarHBondContact O-N 3.21Å
37L95.2Very high90.1Very high0 Ų062.1 Ų62.10%029%0.289CS..EExtended strand (participates in β ladder)trans-96.3147.5174.6-79.767.7000110.2E50 K53 F71 L74 L75 R81 Y82 A83L37-E50 HydrophobicContact CB-CB 4.16Å; L37-E50 WeakPolarHBondContact O-CB 3.07Å; L37-E50 PolarHBondContact O-N 3.3Å; L37-K53 HydrophobicContact CB-CB 4.14Å; L37-K53 HydrophobicContact CD1-CB 4.37Å; L37-K53 WeakPolarHBondContact CD1-O 3.44Å; L37-K53 HydrophobicContact CD2-CB 4Å; L37-K53 HydrophobicContact CD2-CD 3.92Å; L37-K53 HydrophobicContact CG-CB 4.4Å; L37-K53 PolarHBondContact N-O 3.38Å; L37-K53 VanDerWaalsContact N-O 3.12Å; L37-F71 HydrophobicContact CD1-CD2 3.97Å; L37-F71 HydrophobicContact CD1-CE2 3.69Å; L37-L74 HydrophobicContact CD1-CB 4.24Å; L37-L74 HydrophobicContact CD1-CD1 4.44Å; L37-L74 HydrophobicContact CD2-CB 4.2Å; L37-L75 HydrophobicContact CD2-CD2 3.95Å; L37-L75 HydrophobicContact CG-CD2 4.31Å; L37-R81 HydrophobicContact CD2-CB 4.5Å; L37-R81 HydrophobicContact CD2-CG 4.23Å; L37-Y82 CarbonylContact C-O 3.49Å; L37-Y82 WeakPolarHBondContact CA-O 3.33Å; L37-A83 HydrophobicContact CD1-CB 4.38Å; L37-A83 HydrophobicContact CG-CB 4.3Å
38F95.1Very high90.7Very high0 Ų057.7 Ų57.70%027%0.27CS..EExtended strand (participates in β ladder)trans-124.6141.1170.3-43.3-86.1000109.1V11 V14 V36 I47 I48 V49 R81 Y82 L84 I124 F128V11-F38 HydrophobicContact CB-CD1 4.19Å; V11-F38 HydrophobicContact CB-CE1 4.19Å; V11-F38 HydrophobicContact CG1-CD1 3.71Å; V11-F38 HydrophobicContact CG1-CE1 3.7Å; V11-F38 HydrophobicContact CG1-CG 4.3Å; V11-F38 HydrophobicContact CG1-CZ 4.27Å; V11-F38 HydrophobicContact CG2-CD1 3.79Å; V11-F38 HydrophobicContact CG2-CE1 4.22Å; V14-F38 HydrophobicContact CB-CE1 4.5Å; V14-F38 HydrophobicContact CG1-CE1 4.23Å; V14-F38 HydrophobicContact CG1-CZ 4.12Å; V36-F38 HydrophobicContact CB-CZ 4.45Å; V36-F38 HydrophobicContact CG1-CE1 4.29Å; V36-F38 HydrophobicContact CG1-CE2 3.84Å; V36-F38 HydrophobicContact CG1-CZ 3.49Å; V36-F38 VanDerWaalsContact CG1-CZ 3.49Å; V36-F38 HydrophobicContact CG2-CE1 4.15Å; V36-F38 HydrophobicContact CG2-CZ 4.16Å; F38-I47 HydrophobicContact CB-CG2 3.85Å; F38-I48 VanDerWaalsContact CA-O 3.24Å; F38-I48 WeakPolarHBondContact CA-O 3.32Å; F38-I48 WeakPolarHBondContact CB-O 3.17Å; F38-V49 HydrophobicContact CD1-CB 4.28Å; F38-V49 HydrophobicContact CD1-CG1 4.37Å; F38-V49 HydrophobicContact CD1-CG2 3.94Å; F38-V49 HydrophobicContact CE1-CB 4.45Å; F38-V49 HydrophobicContact CE1-CG1 4.27Å; F38-V49 HydrophobicContact CE1-CG2 3.86Å; F38-R81 WeakPolarHBondContact O-CD 3.25Å; F38-Y82 PolarHBondContact N-O 2.8Å; F38-Y82 PolarHBondContact O-N 3.15Å; F38-L84 HydrophobicContact CE2-CB 4.1Å; F38-L84 HydrophobicContact CE2-CD1 3.81Å; F38-L84 HydrophobicContact CE2-CG 3.77Å; F38-L84 HydrophobicContact CZ-CD1 3.8Å; F38-L84 HydrophobicContact CZ-CG 4.26Å; F38-I124 HydrophobicContact CD2-CD1 4.36Å; F38-I124 HydrophobicContact CG-CD1 4.48Å; F38-F128 HydrophobicContact CE2-CE2 4.4Å; F38-F128 AromaticContact CE2-CZ 4Å; F38-F128 HydrophobicContact CE2-CZ 4Å; F38-F128 HydrophobicContact CZ-CZ 4.15Å
39C93.8Very high91.2Very high13 Ų1354.3 Ų54.39%0.08826%0.255CS..EExtended strand (participates in β ladder)trans-128166.417863.40000110.1I47 I48 Y117C39-I47 WeakPolarHBondContact O-CA 3.3Å; C39-I48 PolarHBondContact N-O 2.77Å; C39-I48 PolarHBondContact O-N 3.41Å; C39-Y117 WeakPolarHBondContact CA-OH 3.37Å
40L92.4Very high91.6Very high19 Ų1952.7 Ų52.710%0.09925%0.246CC..EExtended strand (participates in β ladder)trans-73.3141.8165.6-67.6169.5000108.9V5 Q46 I47 I116 Y117V5-L40 HydrophobicContact CG1-CD2 3.66Å; V5-L40 HydrophobicContact CG2-CD2 4.36Å; L40-Q46 CarbonylContact C-O 3.55Å; L40-Q46 WeakPolarHBondContact CA-O 3.27Å; L40-I47 HydrophobicContact CD2-CG1 3.8Å; L40-I116 HydrophobicContact CD1-CB 4.15Å; L40-I116 HydrophobicContact CD1-CG2 3.48Å; L40-I116 VanDerWaalsContact CD1-CG2 3.48Å; L40-Y117 HydrophobicContact CB-CE2 4.39Å; L40-Y117 HydrophobicContact CD1-CD1 4.47Å; L40-Y117 HydrophobicContact CD1-CD2 3.52Å; L40-Y117 HydrophobicContact CD1-CE1 4.35Å; L40-Y117 HydrophobicContact CD1-CE2 3.43Å; L40-Y117 VanDerWaalsContact CD1-CE2 3.43Å; L40-Y117 HydrophobicContact CD1-CG 4.08Å; L40-Y117 HydrophobicContact CG-CD1 4.45Å; L40-Y117 HydrophobicContact CG-CD2 4.23Å; L40-Y117 HydrophobicContact CG-CE1 4.02Å; L40-Y117 HydrophobicContact CG-CE2 3.85Å; L40-Y117 PolarHBondContact N-OH 2.98Å
41S91.4Very high91.6Very high19 Ų1952.9 Ų52.913%0.13325%0.248CC..  trans-57.2162.6168.563.40000110.8D43 K44 Q46S41-D43 PolarHBondContact O-N 3.29Å; S41-K44 VanDerWaalsContact O-CA 3.31Å; S41-K44 WeakPolarHBondContact O-CA 3.16Å; S41-K44 PolarHBondContact O-N 2.85Å; S41-Q46 PolarHBondContact N-O 2.71Å; S41-Q46 PolarHBondContact OG-N 2.59Å; S41-Q46 PolarHBondContact OG-O 2.77Å
42D88Confident91.6Very high168 Ų16850.6 Ų50.690%0.89826%0.257SS*.THydrogen-bonded Turntrans-53.5-41.4-179.2-169.9-105.4000112.4K44D42-K44 PolarHBondContact O-N 2.69Å
43D87.9Confident91.6Very high99 Ų9951.3 Ų51.353%0.52926%0.261SS..THydrogen-bonded Turntrans-77.2-2.9176.1-161.8-107.3000113.9S41 R45S41-D43 PolarHBondContact O-N 3.29Å; D43-R45 PolarHBondContact O-N 2.68Å; D43-R45 VanDerWaalsContact O-N 3.16Å; D43-R45 WeakPolarHBondContact OD1-CD 3.21Å; D43-R45 WeakPolarHBondContact OD1-CG 3.25Å; D43-R45 IonicContact OD1-CZ 2.6Å; D43-R45 IonicContact OD1-NE 3.48Å; D43-R45 PolarHBondContact OD1-NE 2.85Å; D43-R45 IonicContact OD1-NH2 3.87Å
44K85.2Confident91.6Very high93 Ų9352.2 Ų52.240%0.40427%0.266SS..SBendtrans58.922.6178.8-54.4179.8-177.1179.30115.2V5 S41 D42 I116V5-K44 VanDerWaalsContact CG2-O 3.25Å; V5-K44 WeakPolarHBondContact CG2-O 3.25Å; S41-K44 VanDerWaalsContact O-CA 3.31Å; S41-K44 WeakPolarHBondContact O-CA 3.16Å; S41-K44 PolarHBondContact O-N 2.85Å; D42-K44 PolarHBondContact O-N 2.69Å; K44-I116 HydrophobicContact CD-CD1 3.71Å
45R88.6Confident91.6Very high167 Ų16752.2 Ų52.263%0.6327%0.266SS*.SBendtrans-99.4-14.7178.3-68.9-172-162-174.88.7114.5V5 T6 D43V5-R45 CarbonylContact C-O 3.54Å; V5-R45 WeakPolarHBondContact CA-O 3.49Å; T6-R45 PolarHBondContact N-O 3.01Å; T6-R45 PolarHBondContact OG1-O 3.44Å; D43-R45 PolarHBondContact O-N 2.68Å; D43-R45 VanDerWaalsContact O-N 3.16Å; D43-R45 WeakPolarHBondContact OD1-CD 3.21Å; D43-R45 WeakPolarHBondContact OD1-CG 3.25Å; D43-R45 IonicContact OD1-CZ 2.6Å; D43-R45 IonicContact OD1-NE 3.48Å; D43-R45 PolarHBondContact OD1-NE 2.85Å; D43-R45 IonicContact OD1-NH2 3.87Å
46Q92.3Very high91.5Very high85 Ų8554.6 Ų54.640%0.39728%0.279SS..EExtended strand (participates in β ladder)trans-134.8144-177.8-50.3-163.9-82.200110.3T6 L40 S41 I48T6-Q46 CarbonylContact O-C 3.52Å; T6-Q46 VanDerWaalsContact O-CA 3.25Å; T6-Q46 WeakPolarHBondContact O-CA 3.3Å; T6-Q46 WeakPolarHBondContact OG1-CG 3.38Å; T6-Q46 PolarHBondContact OG1-NE2 3.14Å; L40-Q46 CarbonylContact C-O 3.55Å; L40-Q46 WeakPolarHBondContact CA-O 3.27Å; S41-Q46 PolarHBondContact N-O 2.71Å; S41-Q46 PolarHBondContact OG-N 2.59Å; S41-Q46 PolarHBondContact OG-O 2.77Å; Q46-I48 HydrophobicContact CB-CG2 4.32Å
47I94.4Very high91.2Very high0 Ų056.4 Ų56.40%029%0.29CS..EExtended strand (participates in β ladder)trans-89.5125.8165.5-61.3166.1000107.4V5 T6 V7 N8 V11 F38 C39 L40 Y82 I124V5-I47 HydrophobicContact CG1-CD1 4.19Å; V5-I47 HydrophobicContact CG1-CG1 3.73Å; T6-I47 PolarHBondContact O-N 3.21Å; V7-I47 HydrophobicContact CG2-CD1 4.41Å; N8-I47 WeakPolarHBondContact CB-O 3.14Å; N8-I47 PolarHBondContact N-O 2.87Å; V11-I47 HydrophobicContact CG2-CG2 4.35Å; V11-I47 WeakPolarHBondContact CG2-O 3.28Å; F38-I47 HydrophobicContact CB-CG2 3.85Å; C39-I47 WeakPolarHBondContact O-CA 3.3Å; L40-I47 HydrophobicContact CD2-CG1 3.8Å; I47-Y82 HydrophobicContact CD1-CD2 4.34Å; I47-Y82 HydrophobicContact CD1-CE2 3.94Å; I47-Y82 HydrophobicContact CG2-CD2 4.38Å; I47-I124 HydrophobicContact CD1-CB 3.73Å; I47-I124 HydrophobicContact CD1-CD1 4.49Å; I47-I124 HydrophobicContact CD1-CG1 4.49Å; I47-I124 HydrophobicContact CD1-CG2 4.15Å; I47-I124 HydrophobicContact CG2-CD1 3.98Å
48I94.9Very high90.9Very high49 Ų4957.6 Ų57.625%0.25130%0.302SS..EExtended strand (participates in β ladder)trans-123.8160.1-176.461.3171.1000110.5N8 F38 C39 Q46N8-I48 HydrophobicContact CB-CG2 4.12Å; F38-I48 VanDerWaalsContact CA-O 3.24Å; F38-I48 WeakPolarHBondContact CA-O 3.32Å; F38-I48 WeakPolarHBondContact CB-O 3.17Å; C39-I48 PolarHBondContact N-O 2.77Å; C39-I48 PolarHBondContact O-N 3.41Å; Q46-I48 HydrophobicContact CB-CG2 4.32Å
49V95.2Very high90.6Very high14 Ų1460 Ų609%0.08532%0.315CS..EExtended strand (participates in β ladder)trans-76.9131.8175.1-169.80000109.3E10 V11 V14 V36 F38 E51E10-V49 HydrophobicContact CB-CG2 4.2Å; E10-V49 HydrophobicContact CG-CG2 3.85Å; V11-V49 HydrophobicContact CB-CG2 4.42Å; V11-V49 HydrophobicContact CG2-CG2 3.8Å; V14-V49 HydrophobicContact CG2-CG1 4.46Å; V14-V49 HydrophobicContact CG2-CG2 4.09Å; V36-V49 HydrophobicContact CG2-CG1 3.61Å; F38-V49 HydrophobicContact CD1-CB 4.28Å; F38-V49 HydrophobicContact CD1-CG1 4.37Å; F38-V49 HydrophobicContact CD1-CG2 3.94Å; F38-V49 HydrophobicContact CE1-CB 4.45Å; F38-V49 HydrophobicContact CE1-CG1 4.27Å; F38-V49 HydrophobicContact CE1-CG2 3.86Å; V49-E51 PolarHBondContact O-N 2.73Å
50E93.4Very high90.3Very high30 Ų3062.1 Ų62.114%0.1433%0.325CS..EExtended strand (participates in β ladder)trans-87.880.4172.8-165.2163.278.600107.9L37 A52 K53 R81L37-E50 HydrophobicContact CB-CB 4.16Å; L37-E50 WeakPolarHBondContact O-CB 3.07Å; L37-E50 PolarHBondContact O-N 3.3Å; E50-A52 PolarHBondContact O-N 2.81Å; E50-A52 VanDerWaalsContact O-N 3.09Å; E50-K53 HydrophobicContact CG-CB 4.09Å; E50-K53 HydrophobicContact CG-CD 4.5Å; E50-K53 HydrophobicContact CG-CG 4.05Å; E50-K53 CarbonylContact O-C 3.48Å; E50-K53 PolarHBondContact O-N 2.84Å; E50-K53 WeakPolarHBondContact OE1-CD 3.28Å; E50-K53 WeakPolarHBondContact OE1-CE 3.25Å; E50-K53 IonicContact OE1-NZ 3.6Å; E50-K53 PolarHBondContact OE1-NZ 2.89Å; E50-R81 IonicContact OE1-CZ 3.33Å; E50-R81 IonicContact OE1-NE 3.59Å; E50-R81 PolarHBondContact OE1-NE 3.02Å; E50-R81 VanDerWaalsContact OE1-NE 3.08Å; E50-R81 IonicContact OE2-CZ 3.53Å; E50-R81 VanDerWaalsContact OE2-CZ 3.29Å; E50-R81 IonicContact OE2-NE 2.77Å; E50-R81 PolarHBondContact OE2-NE 3.32Å; E50-R81 IonicContact OE2-NH2 2.73Å; E50-R81 PolarHBondContact OE2-NH2 3.42Å
51E85.8Confident89.8Confident130 Ų13064.6 Ų64.661%0.60736%0.355SS*.EExtended strand (participates in β ladder)trans-55.5-30.2-173.4-67.4-169.492.100113.7V49 K53 Q54V49-E51 PolarHBondContact O-N 2.73Å; E51-K53 PolarHBondContact O-N 2.82Å; E51-Q54 PolarHBondContact O-NE2 2.95Å
52A86.2Confident89.5Confident98 Ų9870.2 Ų70.281%0.8138%0.383SS*.EExtended strand (participates in β ladder)trans-71.3-14.3176.500000113.8E50E50-A52 PolarHBondContact O-N 2.81Å; E50-A52 VanDerWaalsContact O-N 3.09Å
53K89.1Confident89.4Confident48 Ų4866.9 Ų66.921%0.20937%0.369CS..EExtended strand (participates in β ladder)trans-126.167.5-176.4-58.8-156.6-154.9150.50111.2L37 E50 E51 L74L37-K53 HydrophobicContact CB-CB 4.14Å; L37-K53 HydrophobicContact CD1-CB 4.37Å; L37-K53 WeakPolarHBondContact CD1-O 3.44Å; L37-K53 HydrophobicContact CD2-CB 4Å; L37-K53 HydrophobicContact CD2-CD 3.92Å; L37-K53 HydrophobicContact CG-CB 4.4Å; L37-K53 PolarHBondContact N-O 3.38Å; L37-K53 VanDerWaalsContact N-O 3.12Å; E50-K53 HydrophobicContact CG-CB 4.09Å; E50-K53 HydrophobicContact CG-CD 4.5Å; E50-K53 HydrophobicContact CG-CG 4.05Å; E50-K53 CarbonylContact O-C 3.48Å; E50-K53 PolarHBondContact O-N 2.84Å; E50-K53 WeakPolarHBondContact OE1-CD 3.28Å; E50-K53 WeakPolarHBondContact OE1-CE 3.25Å; E50-K53 IonicContact OE1-NZ 3.6Å; E50-K53 PolarHBondContact OE1-NZ 2.89Å; E51-K53 PolarHBondContact O-N 2.82Å; K53-L74 HydrophobicContact CB-CB 4.44Å; K53-L74 HydrophobicContact CB-CD1 4.46Å; K53-L74 HydrophobicContact CB-CD2 4.21Å; K53-L74 HydrophobicContact CD-CB 4.24Å; K53-L74 HydrophobicContact CD-CD2 4.32Å; K53-L74 WeakPolarHBondContact CD-O 3.35Å; K53-L74 HydrophobicContact CG-CD2 4.19Å; K53-L74 PolarHBondContact NZ-O 3.21Å
54Q92.2Very high89.4Confident58 Ų5863 Ų6327%0.27135%0.348SS..EExtended strand (participates in β ladder)trans-129.7156.4171.265-171.3-51.600109.8A35 V36 E51A35-Q54 CarbonylContact O-C 3.52Å; A35-Q54 VanDerWaalsContact O-CA 3.25Å; A35-Q54 WeakPolarHBondContact O-CA 3.45Å; A35-Q54 WeakPolarHBondContact O-CB 2.9Å; V36-Q54 HydrophobicContact CB-CB 4.43Å; V36-Q54 HydrophobicContact CG2-CB 4.41Å; E51-Q54 PolarHBondContact O-NE2 2.95Å
55I92.5Very high89.4Confident7 Ų767.6 Ų67.64%0.03637%0.372CS..EExtended strand (participates in β ladder)trans-121.5125.4174.2-60.3177.5000106.3K33 K34 A35 V64 P67 F71 L74K33-I55 CarbonylContact C-O 3.57Å; K34-I55 WeakPolarHBondContact CA-O 3.45Å; K34-I55 HydrophobicContact CB-CB 4.46Å; K34-I55 HydrophobicContact CB-CG2 4.18Å; K34-I55 WeakPolarHBondContact CB-O 3.2Å; K34-I55 PolarHBondContact N-O 2.82Å; A35-I55 HydrophobicContact CB-CB 4.07Å; A35-I55 HydrophobicContact CB-CD1 4.22Å; A35-I55 HydrophobicContact CB-CG1 4.27Å; A35-I55 PolarHBondContact N-O 2.95Å; A35-I55 VanDerWaalsContact N-O 3.15Å; A35-I55 PolarHBondContact O-N 3.41Å; I55-V64 HydrophobicContact CG2-CG1 4.41Å; I55-V64 HydrophobicContact CG2-CG2 4.41Å; I55-P67 WeakPolarHBondContact CD1-O 3.38Å; I55-F71 HydrophobicContact CD1-CB 3.9Å; I55-F71 VanDerWaalsContact CD1-N 3.3Å; I55-L74 HydrophobicContact CD1-CD1 3.92Å; I55-L74 HydrophobicContact CG1-CD1 3.7Å
56L91.9Very high89.4Confident50 Ų5060.1 Ų60.126%0.26234%0.344SS..EExtended strand (participates in β ladder)trans-90.3152.1174.4-51178.4000110K30 R32 K33 G58 D59K30-L56 WeakPolarHBondContact O-CB 3.4Å; R32-L56 CarbonylContact O-C 3.49Å; R32-L56 VanDerWaalsContact O-CA 3.24Å; R32-L56 WeakPolarHBondContact O-CA 3.48Å; K33-L56 HydrophobicContact CG-CD2 3.89Å; L56-G58 PolarHBondContact O-N 2.6Å; L56-D59 VanDerWaalsContact CB-OD2 3.25Å; L56-D59 WeakPolarHBondContact CB-OD2 3.11Å; L56-D59 PolarHBondContact N-OD2 2.83Å; L56-D59 WeakPolarHBondContact O-CB 3.41Å; L56-D59 PolarHBondContact O-N 2.78Å; L56-D59 VanDerWaalsContact O-N 3.16Å
57V89.7Confident89.4Confident38 Ų3856.3 Ų56.323%0.2333%0.327CS..G310 helixtrans-62-32.3175.3173.90000110.3I29 R32 K34 D59 I60I29-V57 HydrophobicContact CG2-CG1 4.26Å; R32-V57 HydrophobicContact CB-CB 4.25Å; R32-V57 HydrophobicContact CB-CG2 3.8Å; R32-V57 PolarHBondContact O-N 3.28Å; K34-V57 HydrophobicContact CB-CG2 4.01Å; K34-V57 HydrophobicContact CD-CG2 4.41Å; V57-D59 VanDerWaalsContact C-N 3.28Å; V57-D59 PolarHBondContact O-N 3.45Å; V57-I60 WeakPolarHBondContact O-CB 3.23Å; V57-I60 WeakPolarHBondContact O-CG1 3.34Å; V57-I60 PolarHBondContact O-N 2.73Å
58G88.4Confident89.2Confident25 Ų2556.4 Ų56.426%0.25833%0.327SS..G310 helixtrans-70.1-19.9177.100000115K30 L56 I60K30-G58 WeakPolarHBondContact O-CA 3.37Å; K30-G58 PolarHBondContact O-N 2.79Å; L56-G58 PolarHBondContact O-N 2.6Å; G58-I60 VanDerWaalsContact C-N 3.28Å
59D89.4Confident89Confident50 Ų5056.8 Ų56.827%0.26733%0.332SS..G310 helixtrans-76.1-21.3173.6-67.7-57.2000111.6L56 V57 G61 D62 T63 V64L56-D59 VanDerWaalsContact CB-OD2 3.25Å; L56-D59 WeakPolarHBondContact CB-OD2 3.11Å; L56-D59 PolarHBondContact N-OD2 2.83Å; L56-D59 WeakPolarHBondContact O-CB 3.41Å; L56-D59 PolarHBondContact O-N 2.78Å; L56-D59 VanDerWaalsContact O-N 3.16Å; V57-D59 VanDerWaalsContact C-N 3.28Å; V57-D59 PolarHBondContact O-N 3.45Å; D59-G61 PolarHBondContact O-N 3.24Å; D59-D62 PolarHBondContact O-N 3.29Å; D59-D62 VanDerWaalsContact O-N 3.1Å; D59-T63 WeakPolarHBondContact CB-OG1 3.46Å; D59-T63 PolarHBondContact O-N 2.91Å; D59-T63 PolarHBondContact OD1-OG1 2.87Å; D59-V64 HydrophobicContact CB-CB 4.29Å; D59-V64 HydrophobicContact CB-CG2 3.92Å; D59-V64 WeakPolarHBondContact O-CB 3.41Å; D59-V64 PolarHBondContact O-N 2.71Å
60I87.2Confident88.8Confident58 Ų5857.7 Ų57.730%0.29734%0.339SS..BIsolated β-bridgetrans-69.9117.8-177.8-51.8173.7000109.4K34 V57 G58 D62 V64 P67K34-I60 HydrophobicContact CB-CD1 4.12Å; K34-I60 HydrophobicContact CD-CD1 3.82Å; K34-I60 HydrophobicContact CG-CD1 3.75Å; V57-I60 WeakPolarHBondContact O-CB 3.23Å; V57-I60 WeakPolarHBondContact O-CG1 3.34Å; V57-I60 PolarHBondContact O-N 2.73Å; G58-I60 VanDerWaalsContact C-N 3.28Å; I60-D62 VanDerWaalsContact C-N 3.34Å; I60-V64 CarbonylContact C-O 3.52Å; I60-V64 WeakPolarHBondContact CA-O 3.39Å; I60-P67 HydrophobicContact CD1-CB 3.95Å; I60-P67 HydrophobicContact CD1-CG 4.12Å; I60-P67 HydrophobicContact CG1-CB 4.11Å; I60-P67 HydrophobicContact CG1-CG 4.44Å; I60-P67 HydrophobicContact CG2-CG 4.35Å
61G82.8Confident88.7Confident71 Ų7156.2 Ų56.273%0.73233%0.332SS*.THydrogen-bonded Turntrans88.2-6.5-175.600000114.9D59 V64D59-G61 PolarHBondContact O-N 3.24Å; G61-V64 PolarHBondContact N-O 3.01Å
62D84.7Confident89Confident137 Ų13750.6 Ų50.673%0.73331%0.306SS*.THydrogen-bonded Turntrans-106.3-68.7174.6-163.4-93.5000110.6D59 I60D59-D62 PolarHBondContact O-N 3.29Å; D59-D62 VanDerWaalsContact O-N 3.1Å; I60-D62 VanDerWaalsContact C-N 3.34Å
63T86.6Confident89.2Confident98 Ų9853.8 Ų53.860%0.60130%0.302SS*.THydrogen-bonded Turntrans-106-19177.360.10000112.9D59D59-T63 WeakPolarHBondContact CB-OG1 3.46Å; D59-T63 PolarHBondContact O-N 2.91Å; D59-T63 PolarHBondContact OD1-OG1 2.87Å
64V87.4Confident89.2Confident16 Ų1653.8 Ų53.810%0.09730%0.304CS..BIsolated β-bridgetrans-118.2102.5-177174.20000109.5I55 D59 I60 G61 P67I55-V64 HydrophobicContact CG2-CG1 4.41Å; I55-V64 HydrophobicContact CG2-CG2 4.41Å; D59-V64 HydrophobicContact CB-CB 4.29Å; D59-V64 HydrophobicContact CB-CG2 3.92Å; D59-V64 WeakPolarHBondContact O-CB 3.41Å; D59-V64 PolarHBondContact O-N 2.71Å; I60-V64 CarbonylContact C-O 3.52Å; I60-V64 WeakPolarHBondContact CA-O 3.39Å; G61-V64 PolarHBondContact N-O 3.01Å; V64-P67 HydrophobicContact CG1-CB 4.34Å
65E84.9Confident89.2Confident190 Ų19051.4 Ų51.489%0.88829%0.293SS*.SBendtrans-68.2-40.8175.2-64.9178.588.100112.1
66D88.9Confident89.1Confident11 Ų1152.3 Ų52.36%0.05930%0.299CS..  trans-131.7104.6-177.5-167.2-100.8000110.5Y68 T69 S70 R146 K164D66-Y68 PolarHBondContact O-N 3.37Å; D66-T69 PolarHBondContact O-N 3.43Å; D66-T69 WeakPolarHBondContact OD1-CB 3.39Å; D66-T69 PolarHBondContact OD1-N 3.42Å; D66-T69 PolarHBondContact OD1-OG1 2.93Å; D66-S70 WeakPolarHBondContact O-CB 3.4Å; D66-S70 PolarHBondContact O-N 3.41Å; D66-S70 PolarHBondContact O-OG 3.25Å; D66-R146 IonicContact OD1-CZ 2.83Å; D66-R146 IonicContact OD1-NH2 2.74Å; D66-R146 PolarHBondContact OD1-NH2 3.3Å; D66-R146 IonicContact OD2-CZ 3.81Å; D66-R146 IonicContact OD2-NH2 2.88Å; D66-R146 PolarHBondContact OD2-NH2 2.98Å; D66-K164 WeakPolarHBondContact OD2-CD 3.04Å; D66-K164 VanDerWaalsContact OD2-CE 3.26Å; D66-K164 WeakPolarHBondContact OD2-CE 3.2Å; D66-K164 IonicContact OD2-NZ 3.65Å; D66-K164 PolarHBondContact OD2-NZ 2.63Å
67P91.2Very high88.9Confident4 Ų454.3 Ų54.33%0.02631%0.31CS..Hα-helixtrans-62.1-33.8-175.123.1-32.8000112.1K34 I55 I60 V64 F71 E162K34-P67 HydrophobicContact CG-CB 4.01Å; I55-P67 WeakPolarHBondContact CD1-O 3.38Å; I60-P67 HydrophobicContact CD1-CB 3.95Å; I60-P67 HydrophobicContact CD1-CG 4.12Å; I60-P67 HydrophobicContact CG1-CB 4.11Å; I60-P67 HydrophobicContact CG1-CG 4.44Å; I60-P67 HydrophobicContact CG2-CG 4.35Å; V64-P67 HydrophobicContact CG1-CB 4.34Å; P67-F71 VanDerWaalsContact O-CB 3.24Å; P67-F71 WeakPolarHBondContact O-CB 3.48Å; P67-F71 PolarHBondContact O-N 2.97Å; P67-E162 HydrophobicContact CG-CB 4.25Å; P67-E162 HydrophobicContact CG-CG 4.03Å; P67-E162 WeakPolarHBondContact CG-OE2 3.31Å
68Y90.3Very high88.9Confident2 Ų257.9 Ų57.91%0.00833%0.328CS..Hα-helixtrans-68.7-49.5178.3-168.7-110.7000112.2D66 S70 F71 V72 Y85 W135 I143 D145 R146 L149 L161D66-Y68 PolarHBondContact O-N 3.37Å; Y68-S70 VanDerWaalsContact C-N 3.32Å; Y68-S70 PolarHBondContact O-N 2.9Å; Y68-F71 WeakPolarHBondContact O-CB 3.47Å; Y68-F71 PolarHBondContact O-N 3.03Å; Y68-F71 VanDerWaalsContact O-N 3.12Å; Y68-V72 HydrophobicContact CD1-CG2 4.38Å; Y68-V72 HydrophobicContact CE1-CG2 4.17Å; Y68-V72 WeakPolarHBondContact O-CG2 3.36Å; Y68-V72 PolarHBondContact O-N 2.87Å; Y68-Y85 HydrophobicContact CD2-CE1 4.04Å; Y68-Y85 HydrophobicContact CD2-CE2 4.38Å; Y68-Y85 AromaticContact CD2-CZ 3.86Å; Y68-Y85 PolarHBondContact N-OH 3.37Å; Y68-W135 WeakPolarHBondContact OH-CH2 3.43Å; Y68-W135 WeakPolarHBondContact OH-CZ3 3.24Å; Y68-I143 WeakPolarHBondContact CE1-O 3.17Å; Y68-I143 PolarHBondContact OH-O 2.71Å; Y68-D145 PolarHBondContact OH-O 3.08Å; Y68-R146 HydrophobicContact CD1-CG 3.69Å; Y68-R146 HydrophobicContact CE1-CG 3.69Å; Y68-L149 HydrophobicContact CD2-CD2 3.98Å; Y68-L149 HydrophobicContact CE2-CD2 3.38Å; Y68-L161 HydrophobicContact CD2-CD2 4.35Å; Y68-L161 HydrophobicContact CG-CD2 4.26Å
69T90.3Very high89Confident58 Ų5858.8 Ų58.836%0.35633%0.327SS..Hα-helixtrans-62.5-41.4178.4-56.70000111.1D66 F71 V72 K73D66-T69 PolarHBondContact O-N 3.43Å; D66-T69 WeakPolarHBondContact OD1-CB 3.39Å; D66-T69 PolarHBondContact OD1-N 3.42Å; D66-T69 PolarHBondContact OD1-OG1 2.93Å; T69-F71 VanDerWaalsContact C-N 3.34Å; T69-V72 PolarHBondContact O-N 3.26Å; T69-K73 HydrophobicContact CG2-CD 4.49Å; T69-K73 WeakPolarHBondContact O-CG 3.24Å; T69-K73 PolarHBondContact O-N 3.12Å
70S91.4Very high89.1Confident32 Ų3256.4 Ų56.422%0.22431%0.314CS..Hα-helixtrans-63.1-40.7174.1-70.50000111.7D66 Y68 K73 L74D66-S70 WeakPolarHBondContact O-CB 3.4Å; D66-S70 PolarHBondContact O-N 3.41Å; D66-S70 PolarHBondContact O-OG 3.25Å; Y68-S70 VanDerWaalsContact C-N 3.32Å; Y68-S70 PolarHBondContact O-N 2.9Å; S70-K73 WeakPolarHBondContact O-CB 3.34Å; S70-K73 PolarHBondContact O-N 3.1Å; S70-L74 WeakPolarHBondContact O-CG 3.47Å; S70-L74 PolarHBondContact O-N 3.08Å
71F92.3Very high89.5Confident0 Ų055 Ų550%031%0.305CS..Hα-helixtrans-60.5-46.6175167.6-107.4000111.7A35 L37 I55 P67 Y68 T69 K73 L74 L75 A83 Y85 I102 I143A35-F71 HydrophobicContact CB-CB 4.28Å; A35-F71 HydrophobicContact CB-CD2 3.66Å; A35-F71 HydrophobicContact CB-CE2 4.41Å; A35-F71 HydrophobicContact CB-CG 4.23Å; L37-F71 HydrophobicContact CD1-CD2 3.97Å; L37-F71 HydrophobicContact CD1-CE2 3.69Å; I55-F71 HydrophobicContact CD1-CB 3.9Å; I55-F71 VanDerWaalsContact CD1-N 3.3Å; P67-F71 VanDerWaalsContact O-CB 3.24Å; P67-F71 WeakPolarHBondContact O-CB 3.48Å; P67-F71 PolarHBondContact O-N 2.97Å; Y68-F71 WeakPolarHBondContact O-CB 3.47Å; Y68-F71 PolarHBondContact O-N 3.03Å; Y68-F71 VanDerWaalsContact O-N 3.12Å; T69-F71 VanDerWaalsContact C-N 3.34Å; F71-K73 VanDerWaalsContact C-N 3.27Å; F71-K73 PolarHBondContact O-N 3.31Å; F71-L74 WeakPolarHBondContact O-CB 3.37Å; F71-L74 PolarHBondContact O-N 3.34Å; F71-L75 HydrophobicContact CE1-CD1 4.11Å; F71-L75 HydrophobicContact CE2-CD2 4.44Å; F71-L75 HydrophobicContact CZ-CD1 4.14Å; F71-L75 HydrophobicContact CZ-CD2 4.26Å; F71-L75 HydrophobicContact CZ-CG 4.43Å; F71-A83 HydrophobicContact CE2-CB 3.49Å; F71-A83 VanDerWaalsContact CE2-CB 3.49Å; F71-A83 HydrophobicContact CZ-CB 3.58Å; F71-Y85 HydrophobicContact CB-CD2 4.19Å; F71-Y85 HydrophobicContact CB-CE2 4.03Å; F71-Y85 HydrophobicContact CD1-CD2 4.05Å; F71-Y85 HydrophobicContact CD1-CE2 4.43Å; F71-Y85 HydrophobicContact CD2-CD2 4.27Å; F71-Y85 AromaticContact CG-CD2 3.88Å; F71-Y85 HydrophobicContact CG-CD2 3.88Å; F71-Y85 HydrophobicContact CG-CE2 4.2Å; F71-I102 HydrophobicContact CE1-CD1 3.51Å; F71-I102 HydrophobicContact CZ-CD1 3.66Å; F71-I143 HydrophobicContact CE1-CD1 3.92Å
72V91.2Very high90.1Very high11 Ų1151.7 Ų51.77%0.06727%0.27CS..Hα-helixtrans-60.2-37.6176.9173.60000111.6Y68 T69 L74 L75 L140 I143 K144Y68-V72 HydrophobicContact CD1-CG2 4.38Å; Y68-V72 HydrophobicContact CE1-CG2 4.17Å; Y68-V72 WeakPolarHBondContact O-CG2 3.36Å; Y68-V72 PolarHBondContact O-N 2.87Å; T69-V72 PolarHBondContact O-N 3.26Å; V72-L74 VanDerWaalsContact C-N 3.29Å; V72-L74 PolarHBondContact O-N 3.28Å; V72-L75 PolarHBondContact O-N 2.94Å; V72-L140 HydrophobicContact CG1-CD2 4.21Å; V72-I143 HydrophobicContact CB-CG2 4.48Å; V72-I143 HydrophobicContact CG1-CG2 3.75Å; V72-I143 HydrophobicContact CG2-CD1 4.47Å; V72-I143 HydrophobicContact CG2-CG1 4.3Å; V72-I143 HydrophobicContact CG2-CG2 4.01Å; V72-K144 HydrophobicContact CG1-CG 3.8Å
73K90.2Very high90.6Very high166 Ų16645.1 Ų45.172%0.72224%0.235SC*.Hα-helixtrans-67-24.9176.2-73.2173.4178.4177.90113.8T69 S70 F71 L75T69-K73 HydrophobicContact CG2-CD 4.49Å; T69-K73 WeakPolarHBondContact O-CG 3.24Å; T69-K73 PolarHBondContact O-N 3.12Å; S70-K73 WeakPolarHBondContact O-CB 3.34Å; S70-K73 PolarHBondContact O-N 3.1Å; F71-K73 VanDerWaalsContact C-N 3.27Å; F71-K73 PolarHBondContact O-N 3.31Å; K73-L75 VanDerWaalsContact C-N 3.31Å
74L90.6Very high91Very high47 Ų4740.5 Ų40.525%0.24621%0.207CC..Hα-helixtrans-75.6-20.9177.5-69.5172.7000112.9L37 K53 I55 S70 F71 V72L37-L74 HydrophobicContact CD1-CB 4.24Å; L37-L74 HydrophobicContact CD1-CD1 4.44Å; L37-L74 HydrophobicContact CD2-CB 4.2Å; K53-L74 HydrophobicContact CB-CB 4.44Å; K53-L74 HydrophobicContact CB-CD1 4.46Å; K53-L74 HydrophobicContact CB-CD2 4.21Å; K53-L74 HydrophobicContact CD-CB 4.24Å; K53-L74 HydrophobicContact CD-CD2 4.32Å; K53-L74 WeakPolarHBondContact CD-O 3.35Å; K53-L74 HydrophobicContact CG-CD2 4.19Å; K53-L74 PolarHBondContact NZ-O 3.21Å; I55-L74 HydrophobicContact CD1-CD1 3.92Å; I55-L74 HydrophobicContact CG1-CD1 3.7Å; S70-L74 WeakPolarHBondContact O-CG 3.47Å; S70-L74 PolarHBondContact O-N 3.08Å; F71-L74 WeakPolarHBondContact O-CB 3.37Å; F71-L74 PolarHBondContact O-N 3.34Å; V72-L74 VanDerWaalsContact C-N 3.29Å; V72-L74 PolarHBondContact O-N 3.28Å
75L91.6Very high91.3Very high8 Ų839.7 Ų39.74%0.04220%0.202CC..SBendtrans-73.8126.3-176.6-66.8169.5000111.4L37 F71 V72 K73 R81 W104 I143L37-L75 HydrophobicContact CD2-CD2 3.95Å; L37-L75 HydrophobicContact CG-CD2 4.31Å; F71-L75 HydrophobicContact CE1-CD1 4.11Å; F71-L75 HydrophobicContact CE2-CD2 4.44Å; F71-L75 HydrophobicContact CZ-CD1 4.14Å; F71-L75 HydrophobicContact CZ-CD2 4.26Å; F71-L75 HydrophobicContact CZ-CG 4.43Å; V72-L75 PolarHBondContact O-N 2.94Å; K73-L75 VanDerWaalsContact C-N 3.31Å; L75-R81 HydrophobicContact CD2-CB 4.38Å; L75-W104 HydrophobicContact CB-CD2 4.3Å; L75-W104 HydrophobicContact CB-CG 4.34Å; L75-W104 HydrophobicContact CD1-CD2 4.11Å; L75-W104 HydrophobicContact CD1-CE3 4.25Å; L75-W104 HydrophobicContact CD1-CG 4.3Å; L75-W104 HydrophobicContact CD2-CB 3.92Å; L75-W104 HydrophobicContact CD2-CD2 4.46Å; L75-W104 HydrophobicContact CD2-CG 3.84Å; L75-W104 HydrophobicContact CG-CG 4.4Å; L75-I143 HydrophobicContact CD1-CD1 3.13Å
76P90.9Very high91.7Very high27 Ų2730.8 Ų30.818%0.17516%0.16CC..  trans-73.2136.9-179.628.3-31.7000111.2N78 D79 R81 W104P76-N78 VanDerWaalsContact C-N 3.31Å; P76-N78 PolarHBondContact O-N 2.73Å; P76-D79 HydrophobicContact CB-CB 4.47Å; P76-D79 HydrophobicContact CG-CB 4.28Å; P76-R81 HydrophobicContact CG-CG 3.63Å; P76-W104 PolarHBondContact O-NE1 3.16Å
77L87.7Confident91.9Very high92 Ų9230.2 Ų30.248%0.48216%0.157SC..THydrogen-bonded Turntrans-73-25.6178.8-53.4-176.9000113.2P106 S108 L140L77-P106 WeakPolarHBondContact O-CB 3.42Å; L77-P106 VanDerWaalsContact O-CG 3.26Å; L77-P106 WeakPolarHBondContact O-CG 3.15Å; L77-S108 WeakPolarHBondContact O-CB 3.46Å; L77-L140 HydrophobicContact CD2-CD1 3.39Å; L77-L140 HydrophobicContact CD2-CD2 3.86Å; L77-L140 HydrophobicContact CD2-CG 3.74Å
78N89.3Confident91.9Very high113 Ų11331 Ų3160%0.60416%0.162SC*.THydrogen-bonded Turntrans-112.29.7-170.2-62.3-1.2000113.1P76 P110P76-N78 VanDerWaalsContact C-N 3.31Å; P76-N78 PolarHBondContact O-N 2.73Å; N78-P110 WeakPolarHBondContact O-CD 3.48Å
79D90.4Very high92Very high44 Ų4431.3 Ų31.324%0.23516%0.163CC..SBendtrans-148.4160.6176-156.7-133.2000111.7P76 R81 P106 S113P76-D79 HydrophobicContact CB-CB 4.47Å; P76-D79 HydrophobicContact CG-CB 4.28Å; D79-R81 IonicContact OD1-CZ 2.63Å; D79-R81 IonicContact OD1-NH1 2.71Å; D79-R81 PolarHBondContact OD1-NH1 2.9Å; D79-P106 WeakPolarHBondContact O-CD 3.25Å; D79-P106 WeakPolarHBondContact O-CG 3.34Å; D79-S113 WeakPolarHBondContact OD2-CB 3.24Å; D79-S113 PolarHBondContact OD2-OG 3.05Å
80C92.5Very high92.1Very high0 Ų032.2 Ų32.20%016%0.163CC..  trans-86.3151.4179.3-58.60000110.7W104 K114 Y117C80-W104 CarbonylContact C-O 3.5Å; C80-W104 WeakPolarHBondContact CA-O 3.49Å; C80-W104 WeakPolarHBondContact CB-O 3.41Å; C80-K114 VanDerWaalsContact SG-CG 3.53Å; C80-Y117 HydrophobicContact CB-CD1 3.96Å; C80-Y117 HydrophobicContact CB-CD2 3.47Å; C80-Y117 VanDerWaalsContact CB-CD2 3.47Å; C80-Y117 HydrophobicContact CB-CE1 4.29Å; C80-Y117 HydrophobicContact CB-CE2 3.79Å; C80-Y117 HydrophobicContact CB-CG 3.55Å; C80-Y117 PolarHBondContact O-OH 3.07Å
81R94.6Very high92.1Very high29 Ų2931.2 Ų31.211%0.10916%0.156CC..EExtended strand (participates in β ladder)trans-142.4153.6173.7-71.3-67.6-178.7-869.7110.2L37 F38 E50 L75 P76 D79 W104 Y117L37-R81 HydrophobicContact CD2-CB 4.5Å; L37-R81 HydrophobicContact CD2-CG 4.23Å; F38-R81 WeakPolarHBondContact O-CD 3.25Å; E50-R81 IonicContact OE1-CZ 3.33Å; E50-R81 IonicContact OE1-NE 3.59Å; E50-R81 PolarHBondContact OE1-NE 3.02Å; E50-R81 VanDerWaalsContact OE1-NE 3.08Å; E50-R81 IonicContact OE2-CZ 3.53Å; E50-R81 VanDerWaalsContact OE2-CZ 3.29Å; E50-R81 IonicContact OE2-NE 2.77Å; E50-R81 PolarHBondContact OE2-NE 3.32Å; E50-R81 IonicContact OE2-NH2 2.73Å; E50-R81 PolarHBondContact OE2-NH2 3.42Å; L75-R81 HydrophobicContact CD2-CB 4.38Å; P76-R81 HydrophobicContact CG-CG 3.63Å; D79-R81 IonicContact OD1-CZ 2.63Å; D79-R81 IonicContact OD1-NH1 2.71Å; D79-R81 PolarHBondContact OD1-NH1 2.9Å; R81-W104 HydrophobicContact CB-CB 4.36Å; R81-W104 PolarHBondContact N-O 3.41Å; R81-W104 WeakPolarHBondContact O-CA 3.17Å; R81-W104 WeakPolarHBondContact O-CB 3.33Å; R81-W104 PolarHBondContact O-N 3.21Å; R81-Y117 PolarHBondContact NH1-OH 3.46Å
82Y95.2Very high91.9Very high0 Ų039.5 Ų39.50%019%0.192CC..EExtended strand (participates in β ladder)trans-96.4153.2157.4-64.5-60.2000108.8L37 F38 I47 F101 I102 F103 Y117 K121 I124L37-Y82 CarbonylContact C-O 3.49Å; L37-Y82 WeakPolarHBondContact CA-O 3.33Å; F38-Y82 PolarHBondContact N-O 2.8Å; F38-Y82 PolarHBondContact O-N 3.15Å; I47-Y82 HydrophobicContact CD1-CD2 4.34Å; I47-Y82 HydrophobicContact CD1-CE2 3.94Å; I47-Y82 HydrophobicContact CG2-CD2 4.38Å; Y82-F101 HydrophobicContact CD1-CE1 4.4Å; Y82-F101 AromaticContact CD1-CE2 3.71Å; Y82-F101 HydrophobicContact CD1-CE2 3.71Å; Y82-F101 AromaticContact CD1-CZ 3.35Å; Y82-F101 HydrophobicContact CD1-CZ 3.35Å; Y82-F101 AromaticContact CE1-CZ 3.79Å; Y82-F101 HydrophobicContact CE1-CZ 3.79Å; Y82-F101 HydrophobicContact CG-CE2 4.04Å; Y82-F101 HydrophobicContact CG-CZ 4.06Å; Y82-I102 CarbonylContact C-O 3.59Å; Y82-I102 WeakPolarHBondContact CA-O 3.35Å; Y82-F103 HydrophobicContact CD1-CB 4.22Å; Y82-F103 AromaticContact CD1-CD2 3.74Å; Y82-F103 HydrophobicContact CD1-CD2 3.74Å; Y82-F103 HydrophobicContact CD1-CG 4.26Å; Y82-F103 HydrophobicContact CE1-CB 4.19Å; Y82-F103 AromaticContact CE1-CD2 3.36Å; Y82-F103 HydrophobicContact CE1-CD2 3.36Å; Y82-F103 AromaticContact CE1-CE2 3.9Å; Y82-F103 HydrophobicContact CE1-CE2 3.9Å; Y82-F103 AromaticContact CE1-CG 3.84Å; Y82-F103 HydrophobicContact CE1-CG 3.84Å; Y82-Y117 AromaticContact CD2-CD1 3.92Å; Y82-Y117 HydrophobicContact CD2-CD1 3.92Å; Y82-Y117 HydrophobicContact CD2-CE1 4.06Å; Y82-Y117 AromaticContact CE2-CD1 3.48Å; Y82-Y117 HydrophobicContact CE2-CD1 3.48Å; Y82-Y117 VanDerWaalsContact CE2-CD1 3.48Å; Y82-Y117 HydrophobicContact CE2-CE1 4.02Å; Y82-Y117 HydrophobicContact CE2-CG 4.5Å; Y82-Y117 AromaticContact CZ-CD1 3.82Å; Y82-Y117 PolarHBondContact OH-O 3.32Å; Y82-K121 HydrophobicContact CE1-CB 4.25Å; Y82-K121 HydrophobicContact CE1-CG 4.28Å; Y82-K121 WeakPolarHBondContact OH-CA 3.06Å; Y82-K121 WeakPolarHBondContact OH-CB 3.45Å; Y82-K121 PolarHBondContact OH-N 3.36Å; Y82-I124 HydrophobicContact CD2-CD1 4.18Å; Y82-I124 HydrophobicContact CD2-CG2 4.37Å; Y82-I124 HydrophobicContact CE1-CG2 4.42Å; Y82-I124 HydrophobicContact CE2-CG2 4.23Å; Y82-I124 HydrophobicContact CG-CD1 4.25Å
83A95.4Very high91.7Very high0 Ų047.3 Ų47.30%023%0.228CC..EExtended strand (participates in β ladder)trans-144.6153.5169.900000111V36 L37 F71 I102V36-A83 CarbonylContact O-C 3.51Å; V36-A83 WeakPolarHBondContact O-CA 3.23Å; V36-A83 WeakPolarHBondContact O-CB 3.26Å; L37-A83 HydrophobicContact CD1-CB 4.38Å; L37-A83 HydrophobicContact CG-CB 4.3Å; F71-A83 HydrophobicContact CE2-CB 3.49Å; F71-A83 VanDerWaalsContact CE2-CB 3.49Å; F71-A83 HydrophobicContact CZ-CB 3.58Å; A83-I102 HydrophobicContact CB-CB 4.25Å; A83-I102 PolarHBondContact N-O 3.22Å; A83-I102 PolarHBondContact O-N 3.33Å
84L94.9Very high91.7Very high0 Ų042.6 Ų42.60%022%0.216CC..EExtended strand (participates in β ladder)trans-110.6130.4160.4-75.9168.2000107.7F15 M18 A35 V36 F38 V100 F101 F128 I131F15-L84 HydrophobicContact CB-CD1 3.93Å; F15-L84 HydrophobicContact CD2-CD1 3.65Å; F15-L84 HydrophobicContact CD2-CD2 4.21Å; F15-L84 HydrophobicContact CG-CD1 4.29Å; M18-L84 HydrophobicContact CE-CB 4.02Å; M18-L84 HydrophobicContact SD-CB 4Å; M18-L84 HydrophobicContact SD-CD1 4.29Å; A35-L84 WeakPolarHBondContact CA-O 3.32Å; V36-L84 HydrophobicContact CG1-CB 3.89Å; V36-L84 PolarHBondContact N-O 3.39Å; V36-L84 PolarHBondContact O-N 3.21Å; F38-L84 HydrophobicContact CE2-CB 4.1Å; F38-L84 HydrophobicContact CE2-CD1 3.81Å; F38-L84 HydrophobicContact CE2-CG 3.77Å; F38-L84 HydrophobicContact CZ-CD1 3.8Å; F38-L84 HydrophobicContact CZ-CG 4.26Å; L84-V100 WeakPolarHBondContact CA-O 3.34Å; L84-F101 HydrophobicContact CD2-CB 4.13Å; L84-F101 HydrophobicContact CD2-CD2 4.34Å; L84-F128 HydrophobicContact CD1-CD2 4.41Å; L84-F128 HydrophobicContact CD1-CE1 4.25Å; L84-F128 HydrophobicContact CD1-CE2 3.8Å; L84-F128 HydrophobicContact CD1-CZ 3.71Å; L84-F128 HydrophobicContact CD2-CD2 4.05Å; L84-F128 HydrophobicContact CD2-CE2 3.92Å; L84-F128 HydrophobicContact CG-CD2 4.45Å; L84-F128 HydrophobicContact CG-CE2 3.83Å; L84-F128 HydrophobicContact CG-CZ 4.2Å; L84-I131 HydrophobicContact CD2-CD1 3.89Å
85Y94.4Very high91.7Very high0 Ų047 Ų470%023%0.233CC..EExtended strand (participates in β ladder)trans-123.8124.6176.6-172.9-100.7000109A35 Y68 F71 A87 V100 L149 E162A35-Y85 HydrophobicContact CB-CD2 3.71Å; A35-Y85 HydrophobicContact CB-CE2 4.2Å; Y68-Y85 HydrophobicContact CD2-CE1 4.04Å; Y68-Y85 HydrophobicContact CD2-CE2 4.38Å; Y68-Y85 AromaticContact CD2-CZ 3.86Å; Y68-Y85 PolarHBondContact N-OH 3.37Å; F71-Y85 HydrophobicContact CB-CD2 4.19Å; F71-Y85 HydrophobicContact CB-CE2 4.03Å; F71-Y85 HydrophobicContact CD1-CD2 4.05Å; F71-Y85 HydrophobicContact CD1-CE2 4.43Å; F71-Y85 HydrophobicContact CD2-CD2 4.27Å; F71-Y85 AromaticContact CG-CD2 3.88Å; F71-Y85 HydrophobicContact CG-CD2 3.88Å; F71-Y85 HydrophobicContact CG-CE2 4.2Å; Y85-A87 HydrophobicContact CD1-CB 3.8Å; Y85-A87 HydrophobicContact CE1-CB 3.84Å; Y85-A87 PolarHBondContact O-N 2.93Å; Y85-V100 PolarHBondContact N-O 3.07Å; Y85-V100 PolarHBondContact O-N 2.75Å; Y85-L149 HydrophobicContact CD1-CD2 4.2Å; Y85-L149 HydrophobicContact CE1-CD2 4.15Å; Y85-E162 VanDerWaalsContact OH-CD 3.26Å; Y85-E162 VanDerWaalsContact OH-CG 3.25Å; Y85-E162 WeakPolarHBondContact OH-CG 3.38Å
86D93.3Very high91.7Very high2 Ų251.2 Ų51.21%0.01125%0.251CS..EExtended strand (participates in β ladder)trans-87.885.4177-165.5-125.6000108.8M18 R21 R32 K34 T88 L99M18-D86 HydrophobicContact CE-CB 4.21Å; R21-D86 IonicContact CZ-OD1 2.98Å; R21-D86 VanDerWaalsContact CZ-OD1 3.28Å; R21-D86 IonicContact CZ-OD2 2.63Å; R21-D86 IonicContact NE-OD2 3.91Å; R21-D86 IonicContact NH1-OD1 4Å; R21-D86 IonicContact NH2-OD1 2.93Å; R21-D86 PolarHBondContact NH2-OD1 3.27Å; R21-D86 IonicContact NH2-OD2 2.66Å; R21-D86 PolarHBondContact NH2-OD2 3.23Å; R32-D86 IonicContact NH2-OD1 3.08Å; R32-D86 PolarHBondContact NH2-OD1 3.18Å; K34-D86 HydrophobicContact CD-CB 4.36Å; K34-D86 WeakPolarHBondContact CD-O 3.44Å; K34-D86 WeakPolarHBondContact CE-O 3.41Å; K34-D86 PolarHBondContact NZ-O 3.48Å; K34-D86 WeakPolarHBondContact O-CB 3.16Å; K34-D86 PolarHBondContact O-N 2.99Å; D86-T88 PolarHBondContact O-N 2.89Å; D86-L99 HydrophobicContact CB-CD2 3.76Å; D86-L99 WeakPolarHBondContact OD2-CD2 3.37Å
87A92.6Very high91.7Very high0 Ų054.2 Ų54.20%026%0.263CS..EExtended strand (participates in β ladder)trans-76.5125.8-174.600000110.7Y85 E97 D98 V100 L153Y85-A87 HydrophobicContact CD1-CB 3.8Å; Y85-A87 HydrophobicContact CE1-CB 3.84Å; Y85-A87 PolarHBondContact O-N 2.93Å; A87-E97 CarbonylContact O-C 3.49Å; A87-E97 VanDerWaalsContact O-CA 3.22Å; A87-E97 WeakPolarHBondContact O-CA 3.28Å; A87-D98 PolarHBondContact N-O 3.12Å; A87-D98 PolarHBondContact O-N 2.92Å; A87-V100 HydrophobicContact CB-CG2 4.09Å; A87-L153 HydrophobicContact CB-CD1 3.64Å; A87-L153 HydrophobicContact CB-CD2 4.07Å; A87-L153 HydrophobicContact CB-CG 4.47Å
88T92Very high91.9Very high19 Ų1950.9 Ų50.912%0.11725%0.245CC..EExtended strand (participates in β ladder)trans-101.2113.9170.3-59.20000107.7K34 D86 K95 E97 E162K34-T88 PolarHBondContact NZ-OG1 2.83Å; D86-T88 PolarHBondContact O-N 2.89Å; T88-K95 HydrophobicContact CG2-CD 4.46Å; T88-K95 HydrophobicContact CG2-CG 4.43Å; T88-E97 HydrophobicContact CG2-CG 4.09Å; T88-E97 PolarHBondContact OG1-OE1 3.47Å; T88-E162 WeakPolarHBondContact CB-OE1 3.4Å; T88-E162 PolarHBondContact N-OE1 2.78Å; T88-E162 PolarHBondContact O-N 3.16Å
89Y92.4Very high92.1Very high9 Ų946.4 Ų46.44%0.03522%0.221CC..EExtended strand (participates in β ladder)trans-133.4150.2-17665.1-80.1000110.3T91 K96 D98 L153 V158 S160Y89-T91 HydrophobicContact CD2-CG2 4.12Å; Y89-T91 HydrophobicContact CE2-CG2 3.93Å; Y89-K96 HydrophobicContact CD1-CB 4.3Å; Y89-K96 HydrophobicContact CD2-CB 4.31Å; Y89-K96 HydrophobicContact CE1-CB 3.73Å; Y89-K96 HydrophobicContact CE2-CB 3.76Å; Y89-K96 HydrophobicContact CE2-CD 3.97Å; Y89-K96 HydrophobicContact CE2-CG 4.4Å; Y89-K96 VanDerWaalsContact CZ-CB 3.43Å; Y89-K96 PolarHBondContact N-O 3.09Å; Y89-K96 PolarHBondContact O-N 3.32Å; Y89-K96 WeakPolarHBondContact OH-CD 3.37Å; Y89-D98 HydrophobicContact CE1-CB 4.09Å; Y89-D98 PolarHBondContact OH-OD2 2.82Å; Y89-L153 HydrophobicContact CD1-CB 4.28Å; Y89-L153 HydrophobicContact CD1-CD1 3.74Å; Y89-L153 HydrophobicContact CD1-CD2 4.09Å; Y89-L153 HydrophobicContact CD1-CG 4.26Å; Y89-L153 HydrophobicContact CD2-CB 4.34Å; Y89-L153 HydrophobicContact CE1-CB 4.22Å; Y89-L153 HydrophobicContact CE1-CD1 4.34Å; Y89-L153 HydrophobicContact CE1-CD2 3.87Å; Y89-L153 HydrophobicContact CE1-CG 4.37Å; Y89-L153 HydrophobicContact CE2-CB 4.25Å; Y89-L153 HydrophobicContact CG-CB 4.35Å; Y89-L153 HydrophobicContact CG-CD1 3.97Å; Y89-V158 HydrophobicContact CD2-CG1 3.96Å; Y89-V158 HydrophobicContact CD2-CG2 3.81Å; Y89-V158 HydrophobicContact CE2-CG2 4.21Å; Y89-V158 HydrophobicContact CG-CG1 4.35Å; Y89-S160 CarbonylContact C-O 3.53Å; Y89-S160 VanDerWaalsContact CA-O 3.29Å; Y89-S160 WeakPolarHBondContact CA-O 3.45Å; Y89-S160 WeakPolarHBondContact CB-O 3.48Å
90E92.2Very high92.2Very high77 Ų7744.3 Ų44.336%0.3621%0.21SC..EExtended strand (participates in β ladder)trans-108.8136.7175.5-55.6174.399.800109.4K95 V158 V159 S160E90-K95 HydrophobicContact CG-CB 4.02Å; E90-K95 HydrophobicContact CG-CD 4.36Å; E90-K95 HydrophobicContact CG-CG 3.94Å; E90-V158 WeakPolarHBondContact O-CA 3.41Å; E90-V159 HydrophobicContact CB-CG2 4.13Å; E90-V159 VanDerWaalsContact O-CG2 3.3Å; E90-V159 WeakPolarHBondContact O-CG2 3.19Å; E90-V159 PolarHBondContact O-N 2.85Å; E90-S160 WeakPolarHBondContact CB-OG 3.32Å; E90-S160 WeakPolarHBondContact CG-OG 3.22Å; E90-S160 PolarHBondContact N-O 2.97Å; E90-S160 PolarHBondContact O-N 3.15Å; E90-S160 PolarHBondContact OE2-OG 2.95Å
91T90.7Very high92.4Very high11 Ų1144.3 Ų44.37%0.06721%0.21CC..EExtended strand (participates in β ladder)trans-101.9168.8167.762.90000108.6Y89 E93 S94 K96 V157Y89-T91 HydrophobicContact CD2-CG2 4.12Å; Y89-T91 HydrophobicContact CE2-CG2 3.93Å; T91-E93 PolarHBondContact O-N 2.77Å; T91-S94 PolarHBondContact N-O 2.99Å; T91-S94 PolarHBondContact O-N 3.47Å; T91-S94 PolarHBondContact OG1-N 2.74Å; T91-S94 VanDerWaalsContact OG1-N 3.14Å; T91-S94 PolarHBondContact OG1-O 3.49Å; T91-K96 HydrophobicContact CG2-CD 4.33Å; T91-V157 VanDerWaalsContact CA-O 3.25Å; T91-V157 WeakPolarHBondContact CA-O 3.2Å; T91-V157 WeakPolarHBondContact CB-O 3.38Å; T91-V157 HydrophobicContact CG2-CG2 4.07Å
92K87.2Confident92.3Very high175 Ų17542.9 Ų42.976%0.76121%0.205SC*.SBendtrans-54-22.8174.5-64.9-178-179.2178.30113.8V157 V159K92-V157 PolarHBondContact N-O 3.36Å; K92-V159 HydrophobicContact CG-CG1 3.7Å
93E88.3Confident92.3Very high174 Ų17443.1 Ų43.181%0.81321%0.206SC*.SBendtrans-105.3-34.4-174.5-62.6177.896.800113.3T91T91-E93 PolarHBondContact O-N 2.77Å
94S90.1Very high92.3Very high68 Ų6843.2 Ų43.248%0.47621%0.206SC..  trans-161151.7-170.7-63.90000112.5T91T91-S94 PolarHBondContact N-O 2.99Å; T91-S94 PolarHBondContact O-N 3.47Å; T91-S94 PolarHBondContact OG1-N 2.74Å; T91-S94 VanDerWaalsContact OG1-N 3.14Å; T91-S94 PolarHBondContact OG1-O 3.49Å
95K90.4Very high92.2Very high140 Ų14043.5 Ų43.561%0.60921%0.208SC*.EExtended strand (participates in β ladder)trans-75.6131.4163.9-175.7170.2-178.4175.20109.9T88 E90T88-K95 HydrophobicContact CG2-CD 4.46Å; T88-K95 HydrophobicContact CG2-CG 4.43Å; E90-K95 HydrophobicContact CG-CB 4.02Å; E90-K95 HydrophobicContact CG-CD 4.36Å; E90-K95 HydrophobicContact CG-CG 3.94Å
96K90.9Very high92.1Very high95 Ų9543.8 Ų43.841%0.41321%0.21SC..EExtended strand (participates in β ladder)trans-128.8158.8-179.3-67.5-176.3-178.6176.70110.2Y89 T91Y89-K96 HydrophobicContact CD1-CB 4.3Å; Y89-K96 HydrophobicContact CD2-CB 4.31Å; Y89-K96 HydrophobicContact CE1-CB 3.73Å; Y89-K96 HydrophobicContact CE2-CB 3.76Å; Y89-K96 HydrophobicContact CE2-CD 3.97Å; Y89-K96 HydrophobicContact CE2-CG 4.4Å; Y89-K96 VanDerWaalsContact CZ-CB 3.43Å; Y89-K96 PolarHBondContact N-O 3.09Å; Y89-K96 PolarHBondContact O-N 3.32Å; Y89-K96 WeakPolarHBondContact OH-CD 3.37Å; T91-K96 HydrophobicContact CG2-CD 4.33Å
97E90.8Very high91.9Very high91 Ų9151.5 Ų51.543%0.42525%0.246SC..EExtended strand (participates in β ladder)trans-142120.7176.1-46.5179.578.400108.7R21 A87 T88R21-E97 IonicContact CZ-OE1 3.74Å; R21-E97 IonicContact CZ-OE2 2.78Å; R21-E97 IonicContact NH1-OE1 3.29Å; R21-E97 PolarHBondContact NH1-OE1 3.06Å; R21-E97 IonicContact NH1-OE2 3.45Å; R21-E97 PolarHBondContact NH1-OE2 2.72Å; R21-E97 IonicContact NH2-OE1 2.68Å; A87-E97 CarbonylContact O-C 3.49Å; A87-E97 VanDerWaalsContact O-CA 3.22Å; A87-E97 WeakPolarHBondContact O-CA 3.28Å; T88-E97 HydrophobicContact CG2-CG 4.09Å; T88-E97 PolarHBondContact OG1-OE1 3.47Å
98D91.9Very high91.8Very high21 Ų2155.7 Ų55.711%0.11228%0.276CS..EExtended strand (participates in β ladder)trans-134.5145.5-179-78.4-78.4000110.7A87 Y89 K132 L153A87-D98 PolarHBondContact N-O 3.12Å; A87-D98 PolarHBondContact O-N 2.92Å; Y89-D98 HydrophobicContact CE1-CB 4.09Å; Y89-D98 PolarHBondContact OH-OD2 2.82Å; D98-K132 IonicContact OD1-NZ 2.8Å; D98-K132 PolarHBondContact OD1-NZ 2.89Å; D98-L153 HydrophobicContact CB-CD2 4.32Å
99L93.3Very high91.8Very high19 Ų1955.1 Ų55.110%0.09927%0.273CS..EExtended strand (participates in β ladder)trans-78130.9172-71.9174.2000110.5F15 M18 K19 D86 I131F15-L99 HydrophobicContact CE2-CD1 4.41Å; M18-L99 HydrophobicContact CB-CD1 4.07Å; M18-L99 HydrophobicContact CB-CD2 3.94Å; M18-L99 HydrophobicContact CE-CD2 3.76Å; K19-L99 VanDerWaalsContact CA-CD1 3.47Å; K19-L99 HydrophobicContact CB-CD1 3.78Å; K19-L99 HydrophobicContact CG-CD1 4.42Å; D86-L99 HydrophobicContact CB-CD2 3.76Å; D86-L99 WeakPolarHBondContact OD2-CD2 3.37Å; L99-I131 HydrophobicContact CB-CD1 3.67Å; L99-I131 VanDerWaalsContact O-CD1 3.25Å; L99-I131 WeakPolarHBondContact O-CD1 3.26Å
100V93.7Very high91.8Very high0 Ų058 Ų580%029%0.293CS..EExtended strand (participates in β ladder)trans-114.6123176.6-170.60000108.8L84 Y85 A87 I102 H133 W135 L149 L153L84-V100 WeakPolarHBondContact CA-O 3.34Å; Y85-V100 PolarHBondContact N-O 3.07Å; Y85-V100 PolarHBondContact O-N 2.75Å; A87-V100 HydrophobicContact CB-CG2 4.09Å; V100-I102 HydrophobicContact CG1-CG1 3.97Å; V100-H133 HydrophobicContact CB-CB 4.32Å; V100-H133 HydrophobicContact CG1-CB 4.06Å; V100-H133 HydrophobicContact CG2-CB 4.01Å; V100-W135 HydrophobicContact CG1-CB 4.2Å; V100-L149 HydrophobicContact CG1-CD1 4.14Å; V100-L149 HydrophobicContact CG2-CD1 4.17Å; V100-L153 HydrophobicContact CG2-CD2 3.48Å; V100-L153 VanDerWaalsContact CG2-CD2 3.48Å; V100-L153 HydrophobicContact CG2-CG 4.35Å
101F95.3Very high91.7Very high0 Ų060.5 Ų60.50%031%0.308CS..EExtended strand (participates in β ladder)trans-85.6115.7169.7173.9-117.3000109.6Y82 L84 K121 I124 F128 I131 H133 E134 W135Y82-F101 HydrophobicContact CD1-CE1 4.4Å; Y82-F101 AromaticContact CD1-CE2 3.71Å; Y82-F101 HydrophobicContact CD1-CE2 3.71Å; Y82-F101 AromaticContact CD1-CZ 3.35Å; Y82-F101 HydrophobicContact CD1-CZ 3.35Å; Y82-F101 AromaticContact CE1-CZ 3.79Å; Y82-F101 HydrophobicContact CE1-CZ 3.79Å; Y82-F101 HydrophobicContact CG-CE2 4.04Å; Y82-F101 HydrophobicContact CG-CZ 4.06Å; L84-F101 HydrophobicContact CD2-CB 4.13Å; L84-F101 HydrophobicContact CD2-CD2 4.34Å; F101-K121 HydrophobicContact CE1-CG 4.17Å; F101-I124 HydrophobicContact CE2-CD1 4.12Å; F101-I124 HydrophobicContact CE2-CG2 4.16Å; F101-I124 HydrophobicContact CZ-CG2 3.69Å; F101-F128 AromaticContact CD2-CD2 3.78Å; F101-F128 HydrophobicContact CD2-CD2 3.78Å; F101-F128 AromaticContact CD2-CE2 3.62Å; F101-F128 HydrophobicContact CD2-CE2 3.62Å; F101-F128 HydrophobicContact CE2-CD2 4.14Å; F101-F128 AromaticContact CE2-CE2 3.79Å; F101-F128 HydrophobicContact CE2-CE2 3.79Å; F101-F128 HydrophobicContact CG-CD2 4.3Å; F101-I131 HydrophobicContact CB-CD1 4.19Å; F101-I131 HydrophobicContact CB-CG1 3.82Å; F101-H133 PolarHBondContact N-O 3.27Å; F101-E134 HydrophobicContact CD1-CG 4.01Å; F101-E134 CarbonylContact O-C 3.59Å; F101-E134 WeakPolarHBondContact O-CA 3.31Å; F101-W135 PolarHBondContact O-N 2.93Å
102I94.2Very high91.6Very high0 Ų067.1 Ų67.10%034%0.335CS..EExtended strand (participates in β ladder)trans-105.9125.6-177.2-58.1174.8000108.7F71 Y82 A83 V100 W135 V137 I143F71-I102 HydrophobicContact CE1-CD1 3.51Å; F71-I102 HydrophobicContact CZ-CD1 3.66Å; Y82-I102 CarbonylContact C-O 3.59Å; Y82-I102 WeakPolarHBondContact CA-O 3.35Å; A83-I102 HydrophobicContact CB-CB 4.25Å; A83-I102 PolarHBondContact N-O 3.22Å; A83-I102 PolarHBondContact O-N 3.33Å; V100-I102 HydrophobicContact CG1-CG1 3.97Å; I102-W135 CarbonylContact C-O 3.58Å; I102-W135 VanDerWaalsContact CA-O 3.28Å; I102-W135 WeakPolarHBondContact CA-O 3.33Å; I102-W135 HydrophobicContact CD1-CE3 4.17Å; I102-W135 HydrophobicContact CG1-CE3 4.21Å; I102-V137 HydrophobicContact CG2-CG2 4.29Å; I102-I143 HydrophobicContact CG2-CD1 4.42Å
103F94.7Very high91.7Very high5 Ų559.1 Ų59.12%0.02230%0.302CS..EExtended strand (participates in β ladder)trans-104.3105.1168.8176.4-147000109.3Y82 A105 Y117 A118 K121 W135 Q136 V137Y82-F103 HydrophobicContact CD1-CB 4.22Å; Y82-F103 AromaticContact CD1-CD2 3.74Å; Y82-F103 HydrophobicContact CD1-CD2 3.74Å; Y82-F103 HydrophobicContact CD1-CG 4.26Å; Y82-F103 HydrophobicContact CE1-CB 4.19Å; Y82-F103 AromaticContact CE1-CD2 3.36Å; Y82-F103 HydrophobicContact CE1-CD2 3.36Å; Y82-F103 AromaticContact CE1-CE2 3.9Å; Y82-F103 HydrophobicContact CE1-CE2 3.9Å; Y82-F103 AromaticContact CE1-CG 3.84Å; Y82-F103 HydrophobicContact CE1-CG 3.84Å; F103-A105 HydrophobicContact CE1-CB 4.24Å; F103-A105 HydrophobicContact CE2-CB 3.95Å; F103-A105 HydrophobicContact CZ-CB 3.79Å; F103-Y117 HydrophobicContact CE2-CD1 4.44Å; F103-Y117 HydrophobicContact CE2-CG 4.46Å; F103-A118 HydrophobicContact CE1-CB 4.35Å; F103-A118 HydrophobicContact CZ-CB 4.3Å; F103-K121 HydrophobicContact CD1-CD 3.93Å; F103-K121 HydrophobicContact CE1-CD 4.46Å; F103-K121 HydrophobicContact CG-CD 4.48Å; F103-W135 PolarHBondContact N-O 2.74Å; F103-Q136 HydrophobicContact CD1-CB 4.46Å; F103-Q136 HydrophobicContact CD1-CG 3.87Å; F103-Q136 WeakPolarHBondContact O-CA 3.46Å; F103-V137 PolarHBondContact O-N 2.87Å
104W94.8Very high91.8Very high1 Ų153.4 Ų53.40%0.00427%0.274CS..EExtended strand (participates in β ladder)trans-91.3116.1178175.5-113.6000110.5L75 P76 C80 R81 P106 V137 G139 L140 I143L75-W104 HydrophobicContact CB-CD2 4.3Å; L75-W104 HydrophobicContact CB-CG 4.34Å; L75-W104 HydrophobicContact CD1-CD2 4.11Å; L75-W104 HydrophobicContact CD1-CE3 4.25Å; L75-W104 HydrophobicContact CD1-CG 4.3Å; L75-W104 HydrophobicContact CD2-CB 3.92Å; L75-W104 HydrophobicContact CD2-CD2 4.46Å; L75-W104 HydrophobicContact CD2-CG 3.84Å; L75-W104 HydrophobicContact CG-CG 4.4Å; P76-W104 PolarHBondContact O-NE1 3.16Å; C80-W104 CarbonylContact C-O 3.5Å; C80-W104 WeakPolarHBondContact CA-O 3.49Å; C80-W104 WeakPolarHBondContact CB-O 3.41Å; R81-W104 HydrophobicContact CB-CB 4.36Å; R81-W104 PolarHBondContact N-O 3.41Å; R81-W104 WeakPolarHBondContact O-CA 3.17Å; R81-W104 WeakPolarHBondContact O-CB 3.33Å; R81-W104 PolarHBondContact O-N 3.21Å; W104-P106 HydrophobicContact CH2-CB 4.16Å; W104-P106 HydrophobicContact CZ2-CB 3.55Å; W104-P106 HydrophobicContact CZ2-CG 3.95Å; W104-V137 HydrophobicContact CE3-CB 4.05Å; W104-V137 HydrophobicContact CE3-CG1 4.26Å; W104-V137 HydrophobicContact CZ3-CB 4.31Å; W104-V137 HydrophobicContact CZ3-CG1 4Å; W104-G139 WeakPolarHBondContact CZ3-O 3.43Å; W104-L140 HydrophobicContact CH2-CD2 3.81Å; W104-L140 HydrophobicContact CH2-CG 4.04Å; W104-L140 HydrophobicContact CZ2-CD2 4.13Å; W104-L140 HydrophobicContact CZ2-CG 4.48Å; W104-I143 HydrophobicContact CE3-CD1 4.32Å; W104-I143 HydrophobicContact CH2-CG2 4.49Å; W104-I143 HydrophobicContact CZ3-CB 4.32Å; W104-I143 HydrophobicContact CZ3-CG2 4.04Å
105A92.9Very high91.9Very high6 Ų655.6 Ų55.65%0.0528%0.278CS..  trans-137.172.4-17900000111F103 V137 N138F103-A105 HydrophobicContact CE1-CB 4.24Å; F103-A105 HydrophobicContact CE2-CB 3.95Å; F103-A105 HydrophobicContact CZ-CB 3.79Å; A105-V137 PolarHBondContact N-O 3.12Å; A105-N138 WeakPolarHBondContact O-CA 3.43Å
106P92.8Very high91.9Very high6 Ų650.6 Ų50.64%0.03926%0.258CS..  trans-62.6147.6-170.223.9-30.3000111.8L77 D79 W104 S108 A109 K114 N138L77-P106 WeakPolarHBondContact O-CB 3.42Å; L77-P106 VanDerWaalsContact O-CG 3.26Å; L77-P106 WeakPolarHBondContact O-CG 3.15Å; D79-P106 WeakPolarHBondContact O-CD 3.25Å; D79-P106 WeakPolarHBondContact O-CG 3.34Å; W104-P106 HydrophobicContact CH2-CB 4.16Å; W104-P106 HydrophobicContact CZ2-CB 3.55Å; W104-P106 HydrophobicContact CZ2-CG 3.95Å; P106-S108 PolarHBondContact O-N 3.33Å; P106-S108 VanDerWaalsContact O-N 3.12Å; P106-A109 HydrophobicContact CG-CB 3.87Å; P106-A109 WeakPolarHBondContact O-CB 3.42Å; P106-A109 PolarHBondContact O-N 3.35Å; P106-K114 WeakPolarHBondContact O-CE 3.2Å; P106-K114 PolarHBondContact O-NZ 3.3Å; P106-N138 CarbonylContact C-O 3.54Å; P106-N138 VanDerWaalsContact CA-O 3.23Å; P106-N138 WeakPolarHBondContact CA-O 3.42Å
107E89.6Confident92Very high164 Ų16446.2 Ų46.277%0.76624%0.239SC*.THydrogen-bonded Turntrans-53.7-35.6178.8-68.4-165.7101.900113.2A109 K114 N138E107-A109 VanDerWaalsContact C-N 3.31Å; E107-A109 PolarHBondContact O-N 3.31Å; E107-K114 VanDerWaalsContact C-NZ 3.29Å; E107-K114 VanDerWaalsContact CA-NZ 3.35Å; E107-K114 PolarHBondContact O-NZ 3.49Å; E107-N138 PolarHBondContact N-O 3.46Å
108S90.6Very high92Very high89 Ų8944.5 Ų44.562%0.62224%0.24SC*.THydrogen-bonded Turntrans-74.8-9.2177.6-52.30000115.2L77 P106L77-S108 WeakPolarHBondContact O-CB 3.46Å; P106-S108 PolarHBondContact O-N 3.33Å; P106-S108 VanDerWaalsContact O-N 3.12Å
109A90.9Very high92Very high6 Ų646.1 Ų46.15%0.0525%0.253CS..SBendtrans-69.6144.617800000112.3P106 E107 L111 K114P106-A109 HydrophobicContact CG-CB 3.87Å; P106-A109 WeakPolarHBondContact O-CB 3.42Å; P106-A109 PolarHBondContact O-N 3.35Å; E107-A109 VanDerWaalsContact C-N 3.31Å; E107-A109 PolarHBondContact O-N 3.31Å; A109-L111 PolarHBondContact O-N 3.4Å; A109-K114 HydrophobicContact CB-CG 4.17Å; A109-K114 WeakPolarHBondContact O-CE 3.39Å; A109-K114 PolarHBondContact O-NZ 3.1Å
110P91.8Very high91.9Very high71 Ų7145.2 Ų45.246%0.46125%0.248SC..  trans-55.2135177.4-24.631.5000112.1N78 K112 S113 K114N78-P110 WeakPolarHBondContact O-CD 3.48Å; P110-K112 PolarHBondContact O-N 3.23Å; P110-S113 WeakPolarHBondContact O-CA 3.49Å; P110-S113 WeakPolarHBondContact O-CB 3.35Å; P110-S113 PolarHBondContact O-N 2.85Å; P110-K114 PolarHBondContact O-N 2.66Å
111L90.6Very high91.8Very high128 Ų12846.9 Ų46.967%0.6726%0.256SS*.Hα-helixtrans-52-43.1179.5179.162.7000112.1A109 S113 K114 M115A109-L111 PolarHBondContact O-N 3.4Å; L111-S113 VanDerWaalsContact C-N 3.3Å; L111-S113 PolarHBondContact O-N 3.19Å; L111-K114 PolarHBondContact O-N 2.99Å; L111-M115 HydrophobicContact CD1-CG 4.29Å; L111-M115 HydrophobicContact CD1-SD 4.49Å; L111-M115 HydrophobicContact CG-CG 4.41Å; L111-M115 HydrophobicContact CG-SD 4.15Å; L111-M115 VanDerWaalsContact O-CG 3.31Å; L111-M115 WeakPolarHBondContact O-CG 3.33Å; L111-M115 PolarHBondContact O-N 2.95Å
112K88.9Confident91.5Very high150 Ų15051 Ų5165%0.65228%0.277SS*.Hα-helixtrans-60.2-39.3176.9-171.5173.6-176.6178.50112.2P110 I116P110-K112 PolarHBondContact O-N 3.23Å; K112-I116 HydrophobicContact CG-CD1 4.08Å; K112-I116 WeakPolarHBondContact O-CD1 3.26Å; K112-I116 WeakPolarHBondContact O-CG1 3.35Å; K112-I116 PolarHBondContact O-N 3.42Å; K112-I116 VanDerWaalsContact O-N 3.15Å
113S89.8Confident91.3Very high8 Ų852.2 Ų52.26%0.05629%0.287CS..Hα-helixtrans-64.6-52.4176-164.10000109.7D79 P110 L111 M115 I116 Y117D79-S113 WeakPolarHBondContact OD2-CB 3.24Å; D79-S113 PolarHBondContact OD2-OG 3.05Å; P110-S113 WeakPolarHBondContact O-CA 3.49Å; P110-S113 WeakPolarHBondContact O-CB 3.35Å; P110-S113 PolarHBondContact O-N 2.85Å; L111-S113 VanDerWaalsContact C-N 3.3Å; L111-S113 PolarHBondContact O-N 3.19Å; S113-M115 VanDerWaalsContact C-N 3.29Å; S113-M115 PolarHBondContact O-N 3.16Å; S113-I116 PolarHBondContact O-N 3.09Å; S113-I116 VanDerWaalsContact O-N 3.09Å; S113-Y117 WeakPolarHBondContact O-CD2 2.8Å; S113-Y117 PolarHBondContact O-N 3.28Å
114K90.5Very high91.2Very high53 Ų5352 Ų5223%0.2329%0.286CS..Hα-helixtrans-52.5-44.7176.6-69177.4-179.7171.60112.9C80 P106 E107 A109 P110 L111 A118C80-K114 VanDerWaalsContact SG-CG 3.53Å; P106-K114 WeakPolarHBondContact O-CE 3.2Å; P106-K114 PolarHBondContact O-NZ 3.3Å; E107-K114 VanDerWaalsContact C-NZ 3.29Å; E107-K114 VanDerWaalsContact CA-NZ 3.35Å; E107-K114 PolarHBondContact O-NZ 3.49Å; A109-K114 HydrophobicContact CB-CG 4.17Å; A109-K114 WeakPolarHBondContact O-CE 3.39Å; A109-K114 PolarHBondContact O-NZ 3.1Å; P110-K114 PolarHBondContact O-N 2.66Å; L111-K114 PolarHBondContact O-N 2.99Å; K114-A118 WeakPolarHBondContact O-CB 3.44Å; K114-A118 PolarHBondContact O-N 3.39Å
115M90.9Very high90.9Very high114 Ų11456 Ų5656%0.56230%0.304SS*.Hα-helixtrans-63.3-45.1178.9-7318074.900112.5L111 S113 S119L111-M115 HydrophobicContact CD1-CG 4.29Å; L111-M115 HydrophobicContact CD1-SD 4.49Å; L111-M115 HydrophobicContact CG-CG 4.41Å; L111-M115 HydrophobicContact CG-SD 4.15Å; L111-M115 VanDerWaalsContact O-CG 3.31Å; L111-M115 WeakPolarHBondContact O-CG 3.33Å; L111-M115 PolarHBondContact O-N 2.95Å; S113-M115 VanDerWaalsContact C-N 3.29Å; S113-M115 PolarHBondContact O-N 3.16Å; M115-S119 VanDerWaalsContact O-CB 3.26Å; M115-S119 WeakPolarHBondContact O-CB 3.4Å; M115-S119 PolarHBondContact O-N 3.38Å; M115-S119 PolarHBondContact O-OG 3Å
116I91Very high90.8Very high35 Ų3562.3 Ų62.318%0.17933%0.33CS..Hα-helixtrans-68-45.1-179.6-61.2165.4000109.9V5 L40 K44 K112 S113 S119 S120V5-I116 HydrophobicContact CG2-CG2 4.39Å; L40-I116 HydrophobicContact CD1-CB 4.15Å; L40-I116 HydrophobicContact CD1-CG2 3.48Å; L40-I116 VanDerWaalsContact CD1-CG2 3.48Å; K44-I116 HydrophobicContact CD-CD1 3.71Å; K112-I116 HydrophobicContact CG-CD1 4.08Å; K112-I116 WeakPolarHBondContact O-CD1 3.26Å; K112-I116 WeakPolarHBondContact O-CG1 3.35Å; K112-I116 PolarHBondContact O-N 3.42Å; K112-I116 VanDerWaalsContact O-N 3.15Å; S113-I116 PolarHBondContact O-N 3.09Å; S113-I116 VanDerWaalsContact O-N 3.09Å; I116-S119 PolarHBondContact O-N 3.03Å; I116-S120 VanDerWaalsContact O-CB 3.31Å; I116-S120 WeakPolarHBondContact O-CB 3.48Å; I116-S120 PolarHBondContact O-N 3.49Å; I116-S120 PolarHBondContact O-OG 3.43Å
117Y92.7Very high90.7Very high4 Ų466.9 Ų66.92%0.01635%0.349CS..Hα-helixtrans-58.8-60.1174.2-84.8-94000109.8C39 L40 C80 R81 Y82 F103 S113 S119 S120 K121C39-Y117 WeakPolarHBondContact CA-OH 3.37Å; L40-Y117 HydrophobicContact CB-CE2 4.39Å; L40-Y117 HydrophobicContact CD1-CD1 4.47Å; L40-Y117 HydrophobicContact CD1-CD2 3.52Å; L40-Y117 HydrophobicContact CD1-CE1 4.35Å; L40-Y117 HydrophobicContact CD1-CE2 3.43Å; L40-Y117 VanDerWaalsContact CD1-CE2 3.43Å; L40-Y117 HydrophobicContact CD1-CG 4.08Å; L40-Y117 HydrophobicContact CG-CD1 4.45Å; L40-Y117 HydrophobicContact CG-CD2 4.23Å; L40-Y117 HydrophobicContact CG-CE1 4.02Å; L40-Y117 HydrophobicContact CG-CE2 3.85Å; L40-Y117 PolarHBondContact N-OH 2.98Å; C80-Y117 HydrophobicContact CB-CD1 3.96Å; C80-Y117 HydrophobicContact CB-CD2 3.47Å; C80-Y117 VanDerWaalsContact CB-CD2 3.47Å; C80-Y117 HydrophobicContact CB-CE1 4.29Å; C80-Y117 HydrophobicContact CB-CE2 3.79Å; C80-Y117 HydrophobicContact CB-CG 3.55Å; C80-Y117 PolarHBondContact O-OH 3.07Å; R81-Y117 PolarHBondContact NH1-OH 3.46Å; Y82-Y117 AromaticContact CD2-CD1 3.92Å; Y82-Y117 HydrophobicContact CD2-CD1 3.92Å; Y82-Y117 HydrophobicContact CD2-CE1 4.06Å; Y82-Y117 AromaticContact CE2-CD1 3.48Å; Y82-Y117 HydrophobicContact CE2-CD1 3.48Å; Y82-Y117 VanDerWaalsContact CE2-CD1 3.48Å; Y82-Y117 HydrophobicContact CE2-CE1 4.02Å; Y82-Y117 HydrophobicContact CE2-CG 4.5Å; Y82-Y117 AromaticContact CZ-CD1 3.82Å; Y82-Y117 PolarHBondContact OH-O 3.32Å; F103-Y117 HydrophobicContact CE2-CD1 4.44Å; F103-Y117 HydrophobicContact CE2-CG 4.46Å; S113-Y117 WeakPolarHBondContact O-CD2 2.8Å; S113-Y117 PolarHBondContact O-N 3.28Å; Y117-S119 PolarHBondContact O-N 3Å; Y117-S120 CarbonylContact O-C 3.59Å; Y117-S120 WeakPolarHBondContact O-CA 3.46Å; Y117-S120 PolarHBondContact O-N 2.95Å; Y117-K121 PolarHBondContact O-N 3.48Å
118A91.9Very high90.9Very high54 Ų5459.1 Ų59.145%0.44631%0.313SS..Hα-helixtrans-51-40.2-179.400000113.5F103 K114 S120 K121F103-A118 HydrophobicContact CE1-CB 4.35Å; F103-A118 HydrophobicContact CZ-CB 4.3Å; K114-A118 WeakPolarHBondContact O-CB 3.44Å; K114-A118 PolarHBondContact O-N 3.39Å; A118-S120 VanDerWaalsContact C-N 3.34Å; A118-S120 PolarHBondContact O-N 3.01Å; A118-K121 WeakPolarHBondContact O-CB 3.28Å; A118-K121 PolarHBondContact O-N 2.74Å
119S90.8Very high90.8Very high55 Ų5559 Ų5939%0.38531%0.309SS..Hα-helixtrans-69.6-28.7176.4-57.60000113.6S3 M115 I116 Y117S3-S119 PolarHBondContact OG-O 3.41Å; M115-S119 VanDerWaalsContact O-CB 3.26Å; M115-S119 WeakPolarHBondContact O-CB 3.4Å; M115-S119 PolarHBondContact O-N 3.38Å; M115-S119 PolarHBondContact O-OG 3Å; I116-S119 PolarHBondContact O-N 3.03Å; Y117-S119 PolarHBondContact O-N 3Å
120S91.4Very high90.6Very high0 Ų061.5 Ų61.50%034%0.335CS..Hα-helixtrans-89.7-8.8179.4-48.40000113.6S3 V5 I116 Y117 A118 D122 A123 I124S3-S120 WeakPolarHBondContact CB-OG 3.03Å; S3-S120 VanDerWaalsContact OG-CA 3.32Å; S3-S120 WeakPolarHBondContact OG-CA 3.47Å; S3-S120 WeakPolarHBondContact OG-CB 3.48Å; S3-S120 PolarHBondContact OG-N 3.14Å; S3-S120 PolarHBondContact OG-OG 3.42Å; V5-S120 WeakPolarHBondContact CB-OG 3.5Å; V5-S120 WeakPolarHBondContact CG2-OG 3.47Å; I116-S120 VanDerWaalsContact O-CB 3.31Å; I116-S120 WeakPolarHBondContact O-CB 3.48Å; I116-S120 PolarHBondContact O-N 3.49Å; I116-S120 PolarHBondContact O-OG 3.43Å; Y117-S120 CarbonylContact O-C 3.59Å; Y117-S120 WeakPolarHBondContact O-CA 3.46Å; Y117-S120 PolarHBondContact O-N 2.95Å; A118-S120 VanDerWaalsContact C-N 3.34Å; A118-S120 PolarHBondContact O-N 3.01Å; S120-D122 VanDerWaalsContact C-N 3.28Å; S120-D122 PolarHBondContact O-N 2.96Å; S120-A123 WeakPolarHBondContact O-CB 3.44Å; S120-A123 PolarHBondContact O-N 3.46Å; S120-A123 VanDerWaalsContact O-N 3.09Å; S120-I124 PolarHBondContact O-N 3.36Å
121K91.6Very high90.5Very high36 Ų3659.6 Ų59.616%0.15732%0.32CS..Hα-helixtrans-56.9-41.6-178.9-177.9-176.6170.9-174.10112.1Y82 F101 F103 Y117 A118 A123 I124 K125 E134Y82-K121 HydrophobicContact CE1-CB 4.25Å; Y82-K121 HydrophobicContact CE1-CG 4.28Å; Y82-K121 WeakPolarHBondContact OH-CA 3.06Å; Y82-K121 WeakPolarHBondContact OH-CB 3.45Å; Y82-K121 PolarHBondContact OH-N 3.36Å; F101-K121 HydrophobicContact CE1-CG 4.17Å; F103-K121 HydrophobicContact CD1-CD 3.93Å; F103-K121 HydrophobicContact CE1-CD 4.46Å; F103-K121 HydrophobicContact CG-CD 4.48Å; Y117-K121 PolarHBondContact O-N 3.48Å; A118-K121 WeakPolarHBondContact O-CB 3.28Å; A118-K121 PolarHBondContact O-N 2.74Å; K121-A123 VanDerWaalsContact C-N 3.31Å; K121-A123 PolarHBondContact O-N 3.49Å; K121-I124 VanDerWaalsContact O-CG2 3.25Å; K121-I124 WeakPolarHBondContact O-CG2 3.46Å; K121-K125 VanDerWaalsContact O-CB 3.23Å; K121-K125 WeakPolarHBondContact O-CB 3.42Å; K121-K125 PolarHBondContact O-N 2.77Å; K121-E134 VanDerWaalsContact CE-OE1 3.28Å; K121-E134 WeakPolarHBondContact CE-OE1 3.48Å; K121-E134 WeakPolarHBondContact CE-OE2 3.15Å; K121-E134 IonicContact NZ-OE1 3.81Å; K121-E134 PolarHBondContact NZ-OE1 2.9Å; K121-E134 IonicContact NZ-OE2 3.7Å
122D89Confident90.4Very high85 Ų8560.8 Ų60.846%0.45532%0.32SS..Hα-helixtrans-63.6-36.9178.5-179.1-106.2000112.2S120 K125 K126S120-D122 VanDerWaalsContact C-N 3.28Å; S120-D122 PolarHBondContact O-N 2.96Å; D122-K125 PolarHBondContact O-N 3.05Å; D122-K126 WeakPolarHBondContact O-CB 3.48Å; D122-K126 VanDerWaalsContact O-CG 3.28Å; D122-K126 WeakPolarHBondContact O-CG 3.16Å; D122-K126 PolarHBondContact O-N 2.56Å; D122-K126 WeakPolarHBondContact OD1-CD 3.39Å; D122-K126 WeakPolarHBondContact OD1-CE 3.41Å; D122-K126 IonicContact OD1-NZ 2.85Å; D122-K126 PolarHBondContact OD1-NZ 3.07Å; D122-K126 IonicContact OD2-NZ 2.84Å
123A90.6Very high90.5Very high26 Ų2655.2 Ų55.222%0.21530%0.296CS..Hα-helixtrans-64.6-46.3-179.300000112.2V7 S120 K121V7-A123 HydrophobicContact CG2-CB 4.36Å; S120-A123 WeakPolarHBondContact O-CB 3.44Å; S120-A123 PolarHBondContact O-N 3.46Å; S120-A123 VanDerWaalsContact O-N 3.09Å; K121-A123 VanDerWaalsContact C-N 3.31Å; K121-A123 PolarHBondContact O-N 3.49Å
124I91.4Very high90.6Very high0 Ų057.9 Ų57.90%031%0.308CS..Hα-helixtrans-70.5-42.5176.7-167.7-179.3000112V7 V11 F38 I47 Y82 F101 S120 K121 K126 K127 F128V7-I124 HydrophobicContact CG1-CG1 4.49Å; V7-I124 HydrophobicContact CG2-CB 4.18Å; V11-I124 HydrophobicContact CG1-CD1 4.04Å; V11-I124 HydrophobicContact CG1-CG1 4.22Å; F38-I124 HydrophobicContact CD2-CD1 4.36Å; F38-I124 HydrophobicContact CG-CD1 4.48Å; I47-I124 HydrophobicContact CD1-CB 3.73Å; I47-I124 HydrophobicContact CD1-CD1 4.49Å; I47-I124 HydrophobicContact CD1-CG1 4.49Å; I47-I124 HydrophobicContact CD1-CG2 4.15Å; I47-I124 HydrophobicContact CG2-CD1 3.98Å; Y82-I124 HydrophobicContact CD2-CD1 4.18Å; Y82-I124 HydrophobicContact CD2-CG2 4.37Å; Y82-I124 HydrophobicContact CE1-CG2 4.42Å; Y82-I124 HydrophobicContact CE2-CG2 4.23Å; Y82-I124 HydrophobicContact CG-CD1 4.25Å; F101-I124 HydrophobicContact CE2-CD1 4.12Å; F101-I124 HydrophobicContact CE2-CG2 4.16Å; F101-I124 HydrophobicContact CZ-CG2 3.69Å; S120-I124 PolarHBondContact O-N 3.36Å; K121-I124 VanDerWaalsContact O-CG2 3.25Å; K121-I124 WeakPolarHBondContact O-CG2 3.46Å; I124-K126 VanDerWaalsContact C-N 3.29Å; I124-K126 PolarHBondContact O-N 2.64Å; I124-K127 WeakPolarHBondContact O-CA 3.32Å; I124-K127 WeakPolarHBondContact O-CB 3.37Å; I124-K127 PolarHBondContact O-N 3.4Å; I124-F128 HydrophobicContact CD1-CE1 4.35Å; I124-F128 HydrophobicContact CD1-CE2 3.6Å; I124-F128 HydrophobicContact CD1-CZ 3.48Å; I124-F128 VanDerWaalsContact CD1-CZ 3.48Å; I124-F128 HydrophobicContact CG1-CD1 4.47Å; I124-F128 HydrophobicContact CG1-CD2 4.21Å; I124-F128 HydrophobicContact CG1-CE1 3.97Å; I124-F128 HydrophobicContact CG1-CE2 3.68Å; I124-F128 HydrophobicContact CG1-CZ 3.54Å; I124-F128 PolarHBondContact O-N 3.17Å; I124-F128 VanDerWaalsContact O-N 3.1Å
125K90.1Very high90.7Very high85 Ų8555.7 Ų55.737%0.3730%0.298SS..Hα-helixtrans-59-40.5179.1-174.9179.6-174.6162.10112.1K121 D122 K127 F128 E134K121-K125 VanDerWaalsContact O-CB 3.23Å; K121-K125 WeakPolarHBondContact O-CB 3.42Å; K121-K125 PolarHBondContact O-N 2.77Å; D122-K125 PolarHBondContact O-N 3.05Å; K125-K127 PolarHBondContact O-N 3.01Å; K125-F128 PolarHBondContact O-N 2.81Å; K125-F128 VanDerWaalsContact O-N 3.08Å; K125-E134 VanDerWaalsContact CD-OE2 3.3Å; K125-E134 WeakPolarHBondContact CD-OE2 3.4Å; K125-E134 VanDerWaalsContact CE-OE2 3.27Å; K125-E134 WeakPolarHBondContact CE-OE2 3.31Å; K125-E134 IonicContact NZ-OE1 2.73Å; K125-E134 IonicContact NZ-OE2 3.79Å; K125-E134 PolarHBondContact NZ-OE2 3.37Å
126K90.3Very high90.7Very high140 Ų14054.6 Ų54.661%0.60929%0.292SS*.Hα-helixtrans-60.7-28.7175-80.2172.8173.6165.20113.4D122 I124 T129D122-K126 WeakPolarHBondContact O-CB 3.48Å; D122-K126 VanDerWaalsContact O-CG 3.28Å; D122-K126 WeakPolarHBondContact O-CG 3.16Å; D122-K126 PolarHBondContact O-N 2.56Å; D122-K126 WeakPolarHBondContact OD1-CD 3.39Å; D122-K126 WeakPolarHBondContact OD1-CE 3.41Å; D122-K126 IonicContact OD1-NZ 2.85Å; D122-K126 PolarHBondContact OD1-NZ 3.07Å; D122-K126 IonicContact OD2-NZ 2.84Å; I124-K126 VanDerWaalsContact C-N 3.29Å; I124-K126 PolarHBondContact O-N 2.64Å; K126-T129 WeakPolarHBondContact O-CG2 3.36Å
127K91.4Very high90.7Very high101 Ų10153 Ų5344%0.43928%0.284SS..Hα-helixtrans-80.7-28.2174.6-61.2-58.8-174169.10112.5V7 I12 I124 K125 T129V7-K127 HydrophobicContact CB-CG 3.94Å; V7-K127 HydrophobicContact CG1-CB 4.44Å; V7-K127 HydrophobicContact CG1-CG 4.1Å; V7-K127 HydrophobicContact CG2-CG 3.87Å; I12-K127 HydrophobicContact CD1-CB 4.35Å; I12-K127 HydrophobicContact CD1-CD 3.82Å; I12-K127 HydrophobicContact CD1-CG 4.08Å; I12-K127 HydrophobicContact CG1-CB 4.1Å; I12-K127 HydrophobicContact CG1-CD 4.49Å; I12-K127 HydrophobicContact CG1-CG 4.28Å; I124-K127 WeakPolarHBondContact O-CA 3.32Å; I124-K127 WeakPolarHBondContact O-CB 3.37Å; I124-K127 PolarHBondContact O-N 3.4Å; K125-K127 PolarHBondContact O-N 3.01Å; K127-T129 PolarHBondContact O-N 3.28Å
128F92Very high90.6Very high2 Ų256.3 Ų56.31%0.00930%0.302CS..SBendtrans-80.659.8176.7-65.4-8.1000111.9V11 F15 F38 L84 F101 I124 K125 G130 I131V11-F128 HydrophobicContact CG1-CE1 3.7Å; V11-F128 HydrophobicContact CG1-CZ 3.71Å; F15-F128 HydrophobicContact CB-CD1 3.58Å; F15-F128 HydrophobicContact CB-CE1 3.48Å; F15-F128 VanDerWaalsContact CB-CE1 3.48Å; F15-F128 HydrophobicContact CB-CG 4.5Å; F15-F128 HydrophobicContact CB-CZ 4.32Å; F15-F128 HydrophobicContact CD1-CB 4.43Å; F15-F128 AromaticContact CD1-CD1 3.9Å; F15-F128 HydrophobicContact CD1-CD1 3.9Å; F15-F128 HydrophobicContact CD1-CG 4.46Å; F15-F128 HydrophobicContact CD2-CB 3.94Å; F15-F128 AromaticContact CD2-CD1 3.62Å; F15-F128 HydrophobicContact CD2-CD1 3.62Å; F15-F128 HydrophobicContact CD2-CD2 4.26Å; F15-F128 HydrophobicContact CD2-CE1 4.14Å; F15-F128 AromaticContact CD2-CG 3.69Å; F15-F128 HydrophobicContact CD2-CG 3.69Å; F15-F128 HydrophobicContact CE1-CB 4.2Å; F15-F128 HydrophobicContact CE2-CB 3.68Å; F15-F128 HydrophobicContact CE2-CD1 4.26Å; F15-F128 AromaticContact CE2-CG 3.96Å; F15-F128 HydrophobicContact CE2-CG 3.96Å; F15-F128 HydrophobicContact CG-CB 4.31Å; F15-F128 AromaticContact CG-CD1 3.39Å; F15-F128 HydrophobicContact CG-CD1 3.39Å; F15-F128 AromaticContact CG-CE1 3.85Å; F15-F128 HydrophobicContact CG-CE1 3.85Å; F15-F128 AromaticContact CG-CG 3.96Å; F15-F128 HydrophobicContact CG-CG 3.96Å; F15-F128 VanDerWaalsContact CZ-C 3.44Å; F15-F128 HydrophobicContact CZ-CB 3.81Å; F15-F128 HydrophobicContact CZ-CG 4.45Å; F38-F128 HydrophobicContact CE2-CE2 4.4Å; F38-F128 AromaticContact CE2-CZ 4Å; F38-F128 HydrophobicContact CE2-CZ 4Å; F38-F128 HydrophobicContact CZ-CZ 4.15Å; L84-F128 HydrophobicContact CD1-CD2 4.41Å; L84-F128 HydrophobicContact CD1-CE1 4.25Å; L84-F128 HydrophobicContact CD1-CE2 3.8Å; L84-F128 HydrophobicContact CD1-CZ 3.71Å; L84-F128 HydrophobicContact CD2-CD2 4.05Å; L84-F128 HydrophobicContact CD2-CE2 3.92Å; L84-F128 HydrophobicContact CG-CD2 4.45Å; L84-F128 HydrophobicContact CG-CE2 3.83Å; L84-F128 HydrophobicContact CG-CZ 4.2Å; F101-F128 AromaticContact CD2-CD2 3.78Å; F101-F128 HydrophobicContact CD2-CD2 3.78Å; F101-F128 AromaticContact CD2-CE2 3.62Å; F101-F128 HydrophobicContact CD2-CE2 3.62Å; F101-F128 HydrophobicContact CE2-CD2 4.14Å; F101-F128 AromaticContact CE2-CE2 3.79Å; F101-F128 HydrophobicContact CE2-CE2 3.79Å; F101-F128 HydrophobicContact CG-CD2 4.3Å; I124-F128 HydrophobicContact CD1-CE1 4.35Å; I124-F128 HydrophobicContact CD1-CE2 3.6Å; I124-F128 HydrophobicContact CD1-CZ 3.48Å; I124-F128 VanDerWaalsContact CD1-CZ 3.48Å; I124-F128 HydrophobicContact CG1-CD1 4.47Å; I124-F128 HydrophobicContact CG1-CD2 4.21Å; I124-F128 HydrophobicContact CG1-CE1 3.97Å; I124-F128 HydrophobicContact CG1-CE2 3.68Å; I124-F128 HydrophobicContact CG1-CZ 3.54Å; I124-F128 PolarHBondContact O-N 3.17Å; I124-F128 VanDerWaalsContact O-N 3.1Å; K125-F128 PolarHBondContact O-N 2.81Å; K125-F128 VanDerWaalsContact O-N 3.08Å; F128-G130 PolarHBondContact O-N 3.09Å; F128-I131 HydrophobicContact CB-CB 4.26Å; F128-I131 HydrophobicContact CB-CG2 4.17Å; F128-I131 WeakPolarHBondContact O-CG2 3.25Å; F128-I131 PolarHBondContact O-N 3.23Å; F128-I131 VanDerWaalsContact O-N 3.14Å
129T88.4Confident90.4Very high87 Ų8754.8 Ų54.853%0.53429%0.291SS..THydrogen-bonded Turntrans-62.6121.1-175.358.40000111.2K19 K126 K127K19-T129 PolarHBondContact NZ-O 2.8Å; K126-T129 WeakPolarHBondContact O-CG2 3.36Å; K127-T129 PolarHBondContact O-N 3.28Å
130G87.2Confident90.2Very high57 Ų5754.2 Ų54.259%0.58828%0.284SS*.THydrogen-bonded Turntrans82.515-179.100000115.4F128 K132F128-G130 PolarHBondContact O-N 3.09Å; G130-K132 PolarHBondContact O-N 3.15Å
131I89.5Confident89.9Confident31 Ų3160.8 Ų60.816%0.15932%0.319CS..  trans-61.4127.6162.4-167.476.6000109.1F15 L84 L99 F101 F128F15-I131 HydrophobicContact CE2-CB 4.3Å; F15-I131 HydrophobicContact CE2-CD1 4.09Å; L84-I131 HydrophobicContact CD2-CD1 3.89Å; L99-I131 HydrophobicContact CB-CD1 3.67Å; L99-I131 VanDerWaalsContact O-CD1 3.25Å; L99-I131 WeakPolarHBondContact O-CD1 3.26Å; F101-I131 HydrophobicContact CB-CD1 4.19Å; F101-I131 HydrophobicContact CB-CG1 3.82Å; F128-I131 HydrophobicContact CB-CB 4.26Å; F128-I131 HydrophobicContact CB-CG2 4.17Å; F128-I131 WeakPolarHBondContact O-CG2 3.25Å; F128-I131 PolarHBondContact O-N 3.23Å; F128-I131 VanDerWaalsContact O-N 3.14Å
132K88Confident89.5Confident154 Ų15462.3 Ų62.367%0.6733%0.328SS*.  trans-91.8-38.3-177.2-61.8-177.4-162.4155.60112.5D98 G130D98-K132 IonicContact OD1-NZ 2.8Å; D98-K132 PolarHBondContact OD1-NZ 2.89Å; G130-K132 PolarHBondContact O-N 3.15Å
133H91.8Very high89.4Confident32 Ų3258.2 Ų58.215%0.14831%0.307CS..EExtended strand (participates in β ladder)trans-112.8125.8-173.1-55.5-82.9000110V100 F101 K152 L153V100-H133 HydrophobicContact CB-CB 4.32Å; V100-H133 HydrophobicContact CG1-CB 4.06Å; V100-H133 HydrophobicContact CG2-CB 4.01Å; F101-H133 PolarHBondContact N-O 3.27Å; H133-K152 PolarHBondContact ND1-O 3.03Å; H133-L153 PolarHBondContact CE1-O 2.84Å
134E91.7Very high89.2Confident65 Ų6562.9 Ų62.930%0.30432%0.322SS..EExtended strand (participates in β ladder)trans-120.1133170.6173.4-179.6103.800108.3F101 K121 K125F101-E134 HydrophobicContact CD1-CG 4.01Å; F101-E134 CarbonylContact O-C 3.59Å; F101-E134 WeakPolarHBondContact O-CA 3.31Å; K121-E134 VanDerWaalsContact CE-OE1 3.28Å; K121-E134 WeakPolarHBondContact CE-OE1 3.48Å; K121-E134 WeakPolarHBondContact CE-OE2 3.15Å; K121-E134 IonicContact NZ-OE1 3.81Å; K121-E134 PolarHBondContact NZ-OE1 2.9Å; K121-E134 IonicContact NZ-OE2 3.7Å; K125-E134 VanDerWaalsContact CD-OE2 3.3Å; K125-E134 WeakPolarHBondContact CD-OE2 3.4Å; K125-E134 VanDerWaalsContact CE-OE2 3.27Å; K125-E134 WeakPolarHBondContact CE-OE2 3.31Å; K125-E134 IonicContact NZ-OE1 2.73Å; K125-E134 IonicContact NZ-OE2 3.79Å; K125-E134 PolarHBondContact NZ-OE2 3.37Å
135W92.4Very high89Confident6 Ų666 Ų662%0.02334%0.339CS..EExtended strand (participates in β ladder)trans-132.8122.7177.2-172.925000110.1Y68 V100 F101 I102 F103 V137 D142 I143 T148 L149 K152Y68-W135 WeakPolarHBondContact OH-CH2 3.43Å; Y68-W135 WeakPolarHBondContact OH-CZ3 3.24Å; V100-W135 HydrophobicContact CG1-CB 4.2Å; F101-W135 PolarHBondContact O-N 2.93Å; I102-W135 CarbonylContact C-O 3.58Å; I102-W135 VanDerWaalsContact CA-O 3.28Å; I102-W135 WeakPolarHBondContact CA-O 3.33Å; I102-W135 HydrophobicContact CD1-CE3 4.17Å; I102-W135 HydrophobicContact CG1-CE3 4.21Å; F103-W135 PolarHBondContact N-O 2.74Å; W135-V137 HydrophobicContact CD2-CG2 3.39Å; W135-V137 HydrophobicContact CE3-CG2 3.84Å; W135-V137 HydrophobicContact CG-CG2 3.79Å; W135-V137 HydrophobicContact CH2-CG2 4.12Å; W135-V137 HydrophobicContact CZ2-CG2 3.65Å; W135-V137 HydrophobicContact CZ3-CG2 4.18Å; W135-D142 WeakPolarHBondContact CZ2-O 3.36Å; W135-D142 WeakPolarHBondContact CZ2-OD1 3.09Å; W135-D142 PolarHBondContact NE1-OD1 3.17Å; W135-I143 HydrophobicContact CH2-CB 4.37Å; W135-I143 HydrophobicContact CH2-CG1 3.79Å; W135-I143 HydrophobicContact CZ3-CG1 3.85Å; W135-T148 WeakPolarHBondContact CH2-OG1 3.45Å; W135-T148 VanDerWaalsContact CZ2-OG1 3.28Å; W135-T148 WeakPolarHBondContact CZ2-OG1 3.36Å; W135-L149 HydrophobicContact CE3-CB 4.43Å; W135-L149 HydrophobicContact CE3-CD1 3.8Å; W135-L149 HydrophobicContact CH2-CB 4.03Å; W135-L149 HydrophobicContact CZ3-CB 3.81Å; W135-L149 HydrophobicContact CZ3-CD1 3.94Å; W135-L149 HydrophobicContact CZ3-CG 4.29Å; W135-K152 HydrophobicContact CB-CG 4.3Å; W135-K152 HydrophobicContact CD2-CG 4.34Å; W135-K152 HydrophobicContact CG-CG 3.9Å
136Q91.9Very high88.9Confident92 Ų9264.3 Ų64.343%0.4333%0.33SS..EExtended strand (participates in β ladder)trans-100129.7171.5176.3176.2-6.400108.8F103 N138F103-Q136 HydrophobicContact CD1-CB 4.46Å; F103-Q136 HydrophobicContact CD1-CG 3.87Å; F103-Q136 WeakPolarHBondContact O-CA 3.46Å; Q136-N138 PolarHBondContact NE2-OD1 2.94Å
137V91.4Very high88.8Confident1 Ų159.4 Ų59.41%0.00631%0.314CS..EExtended strand (participates in β ladder)trans-131.7128-177.8-161.90000110.5I102 F103 W104 A105 W135 G139 D142 I143I102-V137 HydrophobicContact CG2-CG2 4.29Å; F103-V137 PolarHBondContact O-N 2.87Å; W104-V137 HydrophobicContact CE3-CB 4.05Å; W104-V137 HydrophobicContact CE3-CG1 4.26Å; W104-V137 HydrophobicContact CZ3-CB 4.31Å; W104-V137 HydrophobicContact CZ3-CG1 4Å; A105-V137 PolarHBondContact N-O 3.12Å; W135-V137 HydrophobicContact CD2-CG2 3.39Å; W135-V137 HydrophobicContact CE3-CG2 3.84Å; W135-V137 HydrophobicContact CG-CG2 3.79Å; W135-V137 HydrophobicContact CH2-CG2 4.12Å; W135-V137 HydrophobicContact CZ2-CG2 3.65Å; W135-V137 HydrophobicContact CZ3-CG2 4.18Å; V137-G139 WeakPolarHBondContact CG1-O 3.33Å; V137-D142 HydrophobicContact CG1-CB 3.74Å; V137-D142 WeakPolarHBondContact CG1-OD1 3.21Å; V137-I143 HydrophobicContact CB-CB 4.47Å; V137-I143 HydrophobicContact CG1-CB 3.71Å; V137-I143 HydrophobicContact CG1-CG1 4.29Å; V137-I143 HydrophobicContact CG2-CG1 4.31Å
138N90.1Very high88.6Confident74 Ų7455.5 Ų55.540%0.39630%0.298SS..  trans-112.7-4.8-174.9-51.7-48.5000113.3A105 P106 E107 Q136A105-N138 WeakPolarHBondContact O-CA 3.43Å; P106-N138 CarbonylContact C-O 3.54Å; P106-N138 VanDerWaalsContact CA-O 3.23Å; P106-N138 WeakPolarHBondContact CA-O 3.42Å; E107-N138 PolarHBondContact N-O 3.46Å; Q136-N138 PolarHBondContact NE2-OD1 2.94Å
139G87.1Confident88.5Confident21 Ų2155.4 Ų55.422%0.21630%0.298CS..SBendtrans-146.2151.2-175.200000111.7W104 V137 D141 I143W104-G139 WeakPolarHBondContact CZ3-O 3.43Å; V137-G139 WeakPolarHBondContact CG1-O 3.33Å; G139-D141 VanDerWaalsContact C-N 3.26Å; G139-D141 PolarHBondContact O-N 3.24Å; G139-I143 PolarHBondContact O-N 3.41Å
140L86Confident88.5Confident44 Ų4451.3 Ų51.323%0.2327%0.272CS..Hα-helixtrans-65.8-32.2178.8-82.7-179.9000112.1V72 L77 W104 D142 I143 K144V72-L140 HydrophobicContact CG1-CD2 4.21Å; L77-L140 HydrophobicContact CD2-CD1 3.39Å; L77-L140 HydrophobicContact CD2-CD2 3.86Å; L77-L140 HydrophobicContact CD2-CG 3.74Å; W104-L140 HydrophobicContact CH2-CD2 3.81Å; W104-L140 HydrophobicContact CH2-CG 4.04Å; W104-L140 HydrophobicContact CZ2-CD2 4.13Å; W104-L140 HydrophobicContact CZ2-CG 4.48Å; L140-D142 VanDerWaalsContact C-N 3.34Å; L140-I143 HydrophobicContact CD2-CG2 4.25Å; L140-I143 PolarHBondContact O-N 2.88Å; L140-K144 HydrophobicContact CB-CD 4.43Å; L140-K144 VanDerWaalsContact O-CB 3.25Å; L140-K144 WeakPolarHBondContact O-CB 3.46Å; L140-K144 WeakPolarHBondContact O-CG 3.15Å; L140-K144 PolarHBondContact O-N 2.63Å
141D84.9Confident88.6Confident138 Ų13854.1 Ų54.174%0.73827%0.27SS*.Hα-helixtrans-63.1-42.9-178.6-58.3-86.1000111.2G139 D145G139-D141 VanDerWaalsContact C-N 3.26Å; G139-D141 PolarHBondContact O-N 3.24Å; D141-D145 PolarHBondContact O-N 2.93Å
142D84.1Confident88.5Confident67 Ų6757.8 Ų57.836%0.35829%0.285SS..Hα-helixtrans-67.2-38.7178.2-167.7-101.7000111.9W135 V137 L140 T148W135-D142 WeakPolarHBondContact CZ2-O 3.36Å; W135-D142 WeakPolarHBondContact CZ2-OD1 3.09Å; W135-D142 PolarHBondContact NE1-OD1 3.17Å; V137-D142 HydrophobicContact CG1-CB 3.74Å; V137-D142 WeakPolarHBondContact CG1-OD1 3.21Å; L140-D142 VanDerWaalsContact C-N 3.34Å; D142-T148 PolarHBondContact O-OG1 2.96Å
143I87.6Confident88.5Confident0 Ų051 Ų510%026%0.256CS..Hα-helixtrans-82-25.7-179.9-147.4-178.6000113.9Y68 F71 V72 L75 I102 W104 W135 V137 G139 L140 D145Y68-I143 WeakPolarHBondContact CE1-O 3.17Å; Y68-I143 PolarHBondContact OH-O 2.71Å; F71-I143 HydrophobicContact CE1-CD1 3.92Å; V72-I143 HydrophobicContact CB-CG2 4.48Å; V72-I143 HydrophobicContact CG1-CG2 3.75Å; V72-I143 HydrophobicContact CG2-CD1 4.47Å; V72-I143 HydrophobicContact CG2-CG1 4.3Å; V72-I143 HydrophobicContact CG2-CG2 4.01Å; L75-I143 HydrophobicContact CD1-CD1 3.13Å; I102-I143 HydrophobicContact CG2-CD1 4.42Å; W104-I143 HydrophobicContact CE3-CD1 4.32Å; W104-I143 HydrophobicContact CH2-CG2 4.49Å; W104-I143 HydrophobicContact CZ3-CB 4.32Å; W104-I143 HydrophobicContact CZ3-CG2 4.04Å; W135-I143 HydrophobicContact CH2-CB 4.37Å; W135-I143 HydrophobicContact CH2-CG1 3.79Å; W135-I143 HydrophobicContact CZ3-CG1 3.85Å; V137-I143 HydrophobicContact CB-CB 4.47Å; V137-I143 HydrophobicContact CG1-CB 3.71Å; V137-I143 HydrophobicContact CG1-CG1 4.29Å; V137-I143 HydrophobicContact CG2-CG1 4.31Å; G139-I143 PolarHBondContact O-N 3.41Å; L140-I143 HydrophobicContact CD2-CG2 4.25Å; L140-I143 PolarHBondContact O-N 2.88Å; I143-D145 VanDerWaalsContact C-N 3.33Å
144K86.8Confident88.1Confident123 Ų12350.9 Ų50.954%0.53526%0.264SS..Hα-helixtrans-73.3-33.4177.3-79.3173.3179.9-1800111.2V72 L140 R146V72-K144 HydrophobicContact CG1-CG 3.8Å; L140-K144 HydrophobicContact CB-CD 4.43Å; L140-K144 VanDerWaalsContact O-CB 3.25Å; L140-K144 WeakPolarHBondContact O-CB 3.46Å; L140-K144 WeakPolarHBondContact O-CG 3.15Å; L140-K144 PolarHBondContact O-N 2.63Å; K144-R146 PolarHBondContact O-N 2.98Å
145D87.1Confident87.8Confident67 Ų6748.9 Ų48.936%0.35826%0.261SS..  trans-64.9130.5173.8-167.2-98.4000109.7Y68 D141 I143 S147 T148Y68-D145 PolarHBondContact OH-O 3.08Å; D141-D145 PolarHBondContact O-N 2.93Å; I143-D145 VanDerWaalsContact C-N 3.33Å; D145-S147 VanDerWaalsContact OD1-CA 3.27Å; D145-S147 WeakPolarHBondContact OD1-CA 3.43Å; D145-S147 WeakPolarHBondContact OD1-CB 3.33Å; D145-S147 PolarHBondContact OD1-N 3.07Å; D145-S147 PolarHBondContact OD1-OG 2.73Å; D145-S147 PolarHBondContact OD2-OG 3.39Å; D145-T148 HydrophobicContact CB-CG2 4.03Å; D145-T148 PolarHBondContact O-OG1 2.86Å; D145-T148 PolarHBondContact OD1-N 2.85Å
146R87.8Confident87.3Confident48 Ų4855.6 Ų55.618%0.18130%0.297CS..Hα-helixtrans-86.8-24.7177.9-69-178.3-176.9150.2-1.4111.7D66 Y68 K144 T148 L149 G150 L161 L166D66-R146 IonicContact OD1-CZ 2.83Å; D66-R146 IonicContact OD1-NH2 2.74Å; D66-R146 PolarHBondContact OD1-NH2 3.3Å; D66-R146 IonicContact OD2-CZ 3.81Å; D66-R146 IonicContact OD2-NH2 2.88Å; D66-R146 PolarHBondContact OD2-NH2 2.98Å; Y68-R146 HydrophobicContact CD1-CG 3.69Å; Y68-R146 HydrophobicContact CE1-CG 3.69Å; K144-R146 PolarHBondContact O-N 2.98Å; R146-T148 VanDerWaalsContact C-N 3.3Å; R146-T148 PolarHBondContact O-N 3.1Å; R146-L149 PolarHBondContact O-N 2.89Å; R146-G150 PolarHBondContact O-N 3.16Å; R146-L161 HydrophobicContact CB-CD2 4.36Å; R146-L161 HydrophobicContact CG-CD2 4.16Å; R146-L166 HydrophobicContact CB-CD2 3.6Å; R146-L166 VanDerWaalsContact O-CD2 3.3Å; R146-L166 WeakPolarHBondContact O-CD2 3.25Å
147S86.8Confident87.2Confident38 Ų3854.8 Ų54.827%0.26630%0.298SS..Hα-helixtrans-62-42.8178.8-26.70000109.5D145 L149 G150 E151D145-S147 VanDerWaalsContact OD1-CA 3.27Å; D145-S147 WeakPolarHBondContact OD1-CA 3.43Å; D145-S147 WeakPolarHBondContact OD1-CB 3.33Å; D145-S147 PolarHBondContact OD1-N 3.07Å; D145-S147 PolarHBondContact OD1-OG 2.73Å; D145-S147 PolarHBondContact OD2-OG 3.39Å; S147-L149 VanDerWaalsContact C-N 3.34Å; S147-L149 PolarHBondContact O-N 3.23Å; S147-G150 CarbonylContact O-C 3.59Å; S147-G150 WeakPolarHBondContact O-CA 3.48Å; S147-G150 PolarHBondContact O-N 3.38Å; S147-G150 VanDerWaalsContact O-N 3.1Å; S147-E151 WeakPolarHBondContact O-CG 3.28Å; S147-E151 PolarHBondContact O-N 3.42Å
148T88.9Confident87Confident19 Ų1955.3 Ų55.312%0.11730%0.301CS..Hα-helixtrans-55.5-45.1174.6560000112.4W135 D142 D145 R146 E151 K152W135-T148 WeakPolarHBondContact CH2-OG1 3.45Å; W135-T148 VanDerWaalsContact CZ2-OG1 3.28Å; W135-T148 WeakPolarHBondContact CZ2-OG1 3.36Å; D142-T148 PolarHBondContact O-OG1 2.96Å; D145-T148 HydrophobicContact CB-CG2 4.03Å; D145-T148 PolarHBondContact O-OG1 2.86Å; D145-T148 PolarHBondContact OD1-N 2.85Å; R146-T148 VanDerWaalsContact C-N 3.3Å; R146-T148 PolarHBondContact O-N 3.1Å; T148-E151 PolarHBondContact O-N 2.86Å; T148-K152 WeakPolarHBondContact O-CG 3.41Å; T148-K152 PolarHBondContact O-N 3.5Å
149L88.4Confident87.1Confident0 Ų054.8 Ų54.80%030%0.301CS..Hα-helixtrans-67.5-42.5175.2179.757.3000111.7Y68 Y85 V100 W135 R146 S147 E151 K152 L153 L161Y68-L149 HydrophobicContact CD2-CD2 3.98Å; Y68-L149 HydrophobicContact CE2-CD2 3.38Å; Y85-L149 HydrophobicContact CD1-CD2 4.2Å; Y85-L149 HydrophobicContact CE1-CD2 4.15Å; V100-L149 HydrophobicContact CG1-CD1 4.14Å; V100-L149 HydrophobicContact CG2-CD1 4.17Å; W135-L149 HydrophobicContact CE3-CB 4.43Å; W135-L149 HydrophobicContact CE3-CD1 3.8Å; W135-L149 HydrophobicContact CH2-CB 4.03Å; W135-L149 HydrophobicContact CZ3-CB 3.81Å; W135-L149 HydrophobicContact CZ3-CD1 3.94Å; W135-L149 HydrophobicContact CZ3-CG 4.29Å; R146-L149 PolarHBondContact O-N 2.89Å; S147-L149 VanDerWaalsContact C-N 3.34Å; S147-L149 PolarHBondContact O-N 3.23Å; L149-E151 VanDerWaalsContact C-N 3.27Å; L149-E151 PolarHBondContact O-N 3.02Å; L149-K152 PolarHBondContact O-N 3.03Å; L149-K152 VanDerWaalsContact O-N 3.08Å; L149-L153 HydrophobicContact CD1-CD1 4.15Å; L149-L153 HydrophobicContact CD1-CG 4.23Å; L149-L153 HydrophobicContact CG-CD1 3.88Å; L149-L153 HydrophobicContact CG-CG 4.44Å; L149-L153 WeakPolarHBondContact O-CG 3.47Å; L149-L153 PolarHBondContact O-N 3.03Å; L149-L161 HydrophobicContact CB-CD1 4.02Å; L149-L161 HydrophobicContact CD2-CD1 3.54Å; L149-L161 HydrophobicContact CD2-CD2 4.26Å; L149-L161 HydrophobicContact CD2-CG 4.49Å; L149-L161 HydrophobicContact CG-CD1 3.59Å
150G88.7Confident87.2Confident0 Ų054.3 Ų54.30%029%0.294CS..Hα-helixtrans-55.5-42.7173.300000112.4R146 S147 K152 L153 G154 G155 V158R146-G150 PolarHBondContact O-N 3.16Å; S147-G150 CarbonylContact O-C 3.59Å; S147-G150 WeakPolarHBondContact O-CA 3.48Å; S147-G150 PolarHBondContact O-N 3.38Å; S147-G150 VanDerWaalsContact O-N 3.1Å; G150-K152 VanDerWaalsContact C-N 3.31Å; G150-K152 PolarHBondContact O-N 3.22Å; G150-L153 PolarHBondContact O-N 2.81Å; G150-G154 PolarHBondContact O-N 3.34Å; G150-G155 PolarHBondContact O-N 2.85Å; G150-V158 WeakPolarHBondContact O-CG2 3.25Å
151E88.6Confident87.5Confident116 Ų11652.2 Ų52.254%0.54228%0.283SS..Hα-helixtrans-61.4-37.9175.8-74.4-172.3105.500112.1S147 T148 L149 G155S147-E151 WeakPolarHBondContact O-CG 3.28Å; S147-E151 PolarHBondContact O-N 3.42Å; T148-E151 PolarHBondContact O-N 2.86Å; L149-E151 VanDerWaalsContact C-N 3.27Å; L149-E151 PolarHBondContact O-N 3.02Å; E151-G155 PolarHBondContact O-N 3.09Å
152K88.5Confident87.6Confident109 Ų10947.1 Ų47.147%0.47426%0.255SS..Hα-helixtrans-73-28.8176-61.6-59.4165.2-164.50114H133 W135 T148 L149 G150H133-K152 PolarHBondContact ND1-O 3.03Å; W135-K152 HydrophobicContact CB-CG 4.3Å; W135-K152 HydrophobicContact CD2-CG 4.34Å; W135-K152 HydrophobicContact CG-CG 3.9Å; T148-K152 WeakPolarHBondContact O-CG 3.41Å; T148-K152 PolarHBondContact O-N 3.5Å; L149-K152 PolarHBondContact O-N 3.03Å; L149-K152 VanDerWaalsContact O-N 3.08Å; G150-K152 VanDerWaalsContact C-N 3.31Å; G150-K152 PolarHBondContact O-N 3.22Å
153L88.5Confident87.6Confident10 Ų1046.8 Ų46.85%0.05227%0.268CS..Hα-helixtrans-80-42.9-179.9-72.2166.5000111.9A87 Y89 D98 V100 H133 L149 G150 V158 L161A87-L153 HydrophobicContact CB-CD1 3.64Å; A87-L153 HydrophobicContact CB-CD2 4.07Å; A87-L153 HydrophobicContact CB-CG 4.47Å; Y89-L153 HydrophobicContact CD1-CB 4.28Å; Y89-L153 HydrophobicContact CD1-CD1 3.74Å; Y89-L153 HydrophobicContact CD1-CD2 4.09Å; Y89-L153 HydrophobicContact CD1-CG 4.26Å; Y89-L153 HydrophobicContact CD2-CB 4.34Å; Y89-L153 HydrophobicContact CE1-CB 4.22Å; Y89-L153 HydrophobicContact CE1-CD1 4.34Å; Y89-L153 HydrophobicContact CE1-CD2 3.87Å; Y89-L153 HydrophobicContact CE1-CG 4.37Å; Y89-L153 HydrophobicContact CE2-CB 4.25Å; Y89-L153 HydrophobicContact CG-CB 4.35Å; Y89-L153 HydrophobicContact CG-CD1 3.97Å; D98-L153 HydrophobicContact CB-CD2 4.32Å; V100-L153 HydrophobicContact CG2-CD2 3.48Å; V100-L153 VanDerWaalsContact CG2-CD2 3.48Å; V100-L153 HydrophobicContact CG2-CG 4.35Å; H133-L153 PolarHBondContact CE1-O 2.84Å; L149-L153 HydrophobicContact CD1-CD1 4.15Å; L149-L153 HydrophobicContact CD1-CG 4.23Å; L149-L153 HydrophobicContact CG-CD1 3.88Å; L149-L153 HydrophobicContact CG-CG 4.44Å; L149-L153 WeakPolarHBondContact O-CG 3.47Å; L149-L153 PolarHBondContact O-N 3.03Å; G150-L153 PolarHBondContact O-N 2.81Å; L153-V158 HydrophobicContact CB-CG2 4.38Å; L153-L161 HydrophobicContact CD1-CD1 3.74Å
154G83.1Confident87.6Confident31 Ų3150.8 Ų50.832%0.3229%0.285SS..Hα-helixtrans-159.68.8-176.700000115.7G150 V157G150-G154 PolarHBondContact O-N 3.34Å; G154-V157 WeakPolarHBondContact O-CG2 3.25Å
155G85.7Confident87.5Confident23 Ų2349.9 Ų49.924%0.23729%0.292CS..G310 helixtrans64.4-143-175.600000111.7G150 E151 V157 V158G150-G155 PolarHBondContact O-N 2.85Å; E151-G155 PolarHBondContact O-N 3.09Å; G155-V157 PolarHBondContact O-N 3.44Å; G155-V158 PolarHBondContact O-N 2.87Å
156N82.2Confident87.3Confident146 Ų14650.9 Ų50.978%0.78130%0.297SS*.G310 helixtrans-68.6-1.4-176.6-61.6-6.7000115
157V88.4Confident87.3Confident76 Ų7651.1 Ų51.146%0.46130%0.303SS..G310 helixtrans-85.2-17.2176.2-58.40000113T91 K92 G154 G155T91-V157 VanDerWaalsContact CA-O 3.25Å; T91-V157 WeakPolarHBondContact CA-O 3.2Å; T91-V157 WeakPolarHBondContact CB-O 3.38Å; T91-V157 HydrophobicContact CG2-CG2 4.07Å; K92-V157 PolarHBondContact N-O 3.36Å; G154-V157 WeakPolarHBondContact O-CG2 3.25Å; G155-V157 PolarHBondContact O-N 3.44Å
158V88.8Confident87.3Confident11 Ų1151.7 Ų51.77%0.06731%0.305CS..EExtended strand (participates in β ladder)trans-78.5126.3178.3-171.50000108.8Y89 E90 G150 L153 G155 S160 L166Y89-V158 HydrophobicContact CD2-CG1 3.96Å; Y89-V158 HydrophobicContact CD2-CG2 3.81Å; Y89-V158 HydrophobicContact CE2-CG2 4.21Å; Y89-V158 HydrophobicContact CG-CG1 4.35Å; E90-V158 WeakPolarHBondContact O-CA 3.41Å; G150-V158 WeakPolarHBondContact O-CG2 3.25Å; L153-V158 HydrophobicContact CB-CG2 4.38Å; G155-V158 PolarHBondContact O-N 2.87Å; V158-S160 WeakPolarHBondContact CG1-O 3.35Å; V158-L166 HydrophobicContact CB-CD1 3.79Å; V158-L166 HydrophobicContact CG1-CD1 3.52Å; V158-L166 HydrophobicContact CG1-CG 4.44Å
159V90.9Very high87.2Confident64 Ų6453.6 Ų53.639%0.38832%0.315SS..EExtended strand (participates in β ladder)trans-107.3-28.1-178.7-63.90000112.5E90 K92 L166E90-V159 HydrophobicContact CB-CG2 4.13Å; E90-V159 VanDerWaalsContact O-CG2 3.3Å; E90-V159 WeakPolarHBondContact O-CG2 3.19Å; E90-V159 PolarHBondContact O-N 2.85Å; K92-V159 HydrophobicContact CG-CG1 3.7Å; V159-L166 PolarHBondContact O-N 3.27Å
160S90.5Very high87.2Confident11 Ų1156.7 Ų56.78%0.07733%0.334CS..EExtended strand (participates in β ladder)trans-144.8152.9177.976.30000110.6Y89 E90 V158 K164Y89-S160 CarbonylContact C-O 3.53Å; Y89-S160 VanDerWaalsContact CA-O 3.29Å; Y89-S160 WeakPolarHBondContact CA-O 3.45Å; Y89-S160 WeakPolarHBondContact CB-O 3.48Å; E90-S160 WeakPolarHBondContact CB-OG 3.32Å; E90-S160 WeakPolarHBondContact CG-OG 3.22Å; E90-S160 PolarHBondContact N-O 2.97Å; E90-S160 PolarHBondContact O-N 3.15Å; E90-S160 PolarHBondContact OE2-OG 2.95Å; V158-S160 WeakPolarHBondContact CG1-O 3.35Å; S160-K164 CarbonylContact C-O 3.46Å; S160-K164 VanDerWaalsContact CA-O 3.23Å; S160-K164 WeakPolarHBondContact CA-O 3.12Å; S160-K164 WeakPolarHBondContact CB-O 3.34Å
161L90.5Very high87.1Confident0 Ų060.3 Ų60.30%035%0.354CS..EExtended strand (participates in β ladder)trans-133.5128.4174.2-174.7135.3000109.2Y68 R146 L149 L153 G163 K164 L166Y68-L161 HydrophobicContact CD2-CD2 4.35Å; Y68-L161 HydrophobicContact CG-CD2 4.26Å; R146-L161 HydrophobicContact CB-CD2 4.36Å; R146-L161 HydrophobicContact CG-CD2 4.16Å; L149-L161 HydrophobicContact CB-CD1 4.02Å; L149-L161 HydrophobicContact CD2-CD1 3.54Å; L149-L161 HydrophobicContact CD2-CD2 4.26Å; L149-L161 HydrophobicContact CD2-CG 4.49Å; L149-L161 HydrophobicContact CG-CD1 3.59Å; L153-L161 HydrophobicContact CD1-CD1 3.74Å; L161-G163 PolarHBondContact O-N 3.29Å; L161-K164 PolarHBondContact N-O 2.95Å; L161-K164 PolarHBondContact O-N 2.78Å; L161-K164 VanDerWaalsContact O-O 3.12Å; L161-L166 HydrophobicContact CB-CD2 3.65Å; L161-L166 HydrophobicContact CB-CG 4.4Å
162E88.2Confident87Confident30 Ų3056.5 Ų56.514%0.1434%0.342CS..THydrogen-bonded Turntrans53.435.3-175.1-59.3-61.5128.100113.1K34 P67 Y85 T88 K164K34-E162 VanDerWaalsContact CE-CD 3.41Å; K34-E162 WeakPolarHBondContact CE-OE1 3.39Å; K34-E162 WeakPolarHBondContact CE-OE2 3.47Å; K34-E162 IonicContact NZ-OE1 3.53Å; K34-E162 PolarHBondContact NZ-OE1 3.38Å; K34-E162 IonicContact NZ-OE2 3.28Å; K34-E162 PolarHBondContact NZ-OE2 3.23Å; P67-E162 HydrophobicContact CG-CB 4.25Å; P67-E162 HydrophobicContact CG-CG 4.03Å; P67-E162 WeakPolarHBondContact CG-OE2 3.31Å; Y85-E162 VanDerWaalsContact OH-CD 3.26Å; Y85-E162 VanDerWaalsContact OH-CG 3.25Å; Y85-E162 WeakPolarHBondContact OH-CG 3.38Å; T88-E162 WeakPolarHBondContact CB-OE1 3.4Å; T88-E162 PolarHBondContact N-OE1 2.78Å; T88-E162 PolarHBondContact O-N 3.16Å; E162-K164 PolarHBondContact O-N 3.21Å
163G84.7Confident86.9Confident61 Ų6152.8 Ų52.863%0.62933%0.332SS*.THydrogen-bonded Turntrans74.65.7-178.800000114.7L161L161-G163 PolarHBondContact O-N 3.29Å
164K85.9Confident86.7Confident83 Ų8356.1 Ų56.136%0.36135%0.354SS..EExtended strand (participates in β ladder)trans-109.5139.5174.7-68.5179.7178.2173.70110D66 S160 L161 E162D66-K164 WeakPolarHBondContact OD2-CD 3.04Å; D66-K164 VanDerWaalsContact OD2-CE 3.26Å; D66-K164 WeakPolarHBondContact OD2-CE 3.2Å; D66-K164 IonicContact OD2-NZ 3.65Å; D66-K164 PolarHBondContact OD2-NZ 2.63Å; S160-K164 CarbonylContact C-O 3.46Å; S160-K164 VanDerWaalsContact CA-O 3.23Å; S160-K164 WeakPolarHBondContact CA-O 3.12Å; S160-K164 WeakPolarHBondContact CB-O 3.34Å; L161-K164 PolarHBondContact N-O 2.95Å; L161-K164 PolarHBondContact O-N 2.78Å; L161-K164 VanDerWaalsContact O-O 3.12Å; E162-K164 PolarHBondContact O-N 3.21Å
165P86Confident87.1Confident105 Ų10558.2 Ų58.268%0.68236%0.357SS*.EExtended strand (participates in β ladder)trans-61.4146.3178.126.7-33.7000110.6
166L83.1Confident87.2Confident88 Ų8861.4 Ų61.446%0.46137%0.368SS..  trans-76.60168.8-66.3-176000110.8R146 V158 V159 L161R146-L166 HydrophobicContact CB-CD2 3.6Å; R146-L166 VanDerWaalsContact O-CD2 3.3Å; R146-L166 WeakPolarHBondContact O-CD2 3.25Å; V158-L166 HydrophobicContact CB-CD1 3.79Å; V158-L166 HydrophobicContact CG1-CD1 3.52Å; V158-L166 HydrophobicContact CG1-CG 4.44Å; V159-L166 PolarHBondContact O-N 3.27Å; L161-L166 HydrophobicContact CB-CD2 3.65Å; L161-L166 HydrophobicContact CB-CG 4.4Å

Retrieved 166 of 166 residues in 503.8 ms (Link to these results)

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