A0A077ZGG0_TRITR Loading...

DUF5648 domain-containing protein

AlphaFold DB , UniProt , Accession A0A077ZGG0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 148 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
1M92.2Very high94.5Very high99 Ų9960.7 Ų60.749%0.48829%0.294SS..  0151.10-69.6172.3179.400107.5K40 W41 V42 W146M1-K40 HydrophobicContact CB-CB 4.09Å; M1-K40 HydrophobicContact SD-CB 4.48Å; M1-W41 CarbonylContact C-O 3.53Å; M1-W41 WeakPolarHBondContact CA-O 3.3Å; M1-W41 VanDerWaalsContact CB-O 3.26Å; M1-W41 WeakPolarHBondContact CB-O 3.27Å; M1-V42 HydrophobicContact CE-CG2 3.61Å; M1-V42 HydrophobicContact CG-CB 4.49Å; M1-V42 HydrophobicContact CG-CG2 3.79Å; M1-V42 HydrophobicContact SD-CG2 4.42Å; M1-W146 HydrophobicContact CE-CD2 3.39Å; M1-W146 HydrophobicContact CE-CE3 3.71Å; M1-W146 HydrophobicContact CE-CG 3.79Å; M1-W146 HydrophobicContact CE-CH2 4.32Å; M1-W146 HydrophobicContact CE-CZ2 4Å; M1-W146 HydrophobicContact CE-CZ3 4.18Å; M1-W146 HydrophobicContact SD-CB 4.07Å; M1-W146 HydrophobicContact SD-CD2 3.83Å; M1-W146 HydrophobicContact SD-CE3 3.96Å; M1-W146 HydrophobicContact SD-CG 3.87Å
2D94.9Very high94Very high59 Ų5959 Ų5932%0.31629%0.29SS..EExtended strand (participates in β ladder)trans-109.6138.7179.1-61.5-19.1000109.5V4 A19 K40 W41 K43D2-V4 PolarHBondContact O-N 3.27Å; D2-A19 HydrophobicContact CB-CB 3.73Å; D2-K40 VanDerWaalsContact O-CA 3.25Å; D2-K40 WeakPolarHBondContact O-CA 3.33Å; D2-W41 PolarHBondContact N-O 2.62Å; D2-W41 PolarHBondContact O-N 2.89Å; D2-W41 VanDerWaalsContact O-N 3.16Å; D2-K43 WeakPolarHBondContact OD1-CD 3.48Å; D2-K43 WeakPolarHBondContact OD2-CB 3.26Å
3T97.6Very high93.4Very high37 Ų3759.5 Ų59.523%0.22730%0.299CS..EExtended strand (participates in β ladder)trans-70.7125.1176.8-56.70000109.5Y5 A19 I37 G39 K40 A148T3-Y5 HydrophobicContact CG2-CD2 4.22Å; T3-Y5 HydrophobicContact CG2-CE1 4.5Å; T3-Y5 HydrophobicContact CG2-CE2 3.63Å; T3-A19 WeakPolarHBondContact O-CA 3.42Å; T3-A19 WeakPolarHBondContact O-CB 3.4Å; T3-I37 HydrophobicContact CG2-CD1 4.46Å; T3-I37 HydrophobicContact CG2-CG1 4.15Å; T3-I37 HydrophobicContact CG2-CG2 3.78Å; T3-G39 CarbonylContact C-O 3.42Å; T3-G39 WeakPolarHBondContact CA-O 3.18Å; T3-K40 WeakPolarHBondContact OG1-CE 3.46Å; T3-A148 HydrophobicContact CG2-CB 4.27Å
4V98.1Very high93.3Very high0 Ų056.1 Ų56.10%028%0.281CS..EExtended strand (participates in β ladder)trans-92.9128.6178-170.60000108.4D2 L17 A19 V38 G39 W41D2-V4 PolarHBondContact O-N 3.27Å; V4-L17 HydrophobicContact CG1-CB 3.85Å; V4-A19 HydrophobicContact CG2-CB 4.42Å; V4-V38 HydrophobicContact CB-CB 4.31Å; V4-V38 HydrophobicContact CG1-CB 4.26Å; V4-V38 PolarHBondContact O-N 3.39Å; V4-G39 PolarHBondContact N-O 2.77Å; V4-W41 HydrophobicContact CG1-CE3 4.22Å; V4-W41 HydrophobicContact CG1-CH2 3.73Å; V4-W41 HydrophobicContact CG1-CZ2 4.08Å; V4-W41 HydrophobicContact CG1-CZ3 3.82Å; V4-W41 HydrophobicContact CG2-CB 4.27Å; V4-W41 HydrophobicContact CG2-CD2 3.25Å; V4-W41 VanDerWaalsContact CG2-CE2 3.45Å; V4-W41 HydrophobicContact CG2-CE3 3.58Å; V4-W41 HydrophobicContact CG2-CG 3.57Å; V4-W41 HydrophobicContact CG2-CH2 4.19Å; V4-W41 HydrophobicContact CG2-CZ2 3.93Å; V4-W41 HydrophobicContact CG2-CZ3 4.03Å
5Y98Very high93.3Very high67 Ų6752.9 Ų52.926%0.26327%0.266SS..EExtended strand (participates in β ladder)trans-111.7148.4173.5-65.8-95.2000109.6T3 L17 E18 G36 I37T3-Y5 HydrophobicContact CG2-CD2 4.22Å; T3-Y5 HydrophobicContact CG2-CE1 4.5Å; T3-Y5 HydrophobicContact CG2-CE2 3.63Å; Y5-L17 WeakPolarHBondContact O-CA 3.43Å; Y5-E18 PolarHBondContact N-O 3.42Å; Y5-E18 PolarHBondContact O-N 3.24Å; Y5-G36 WeakPolarHBondContact CA-O 3.28Å; Y5-I37 HydrophobicContact CD1-CG1 3.83Å; Y5-I37 HydrophobicContact CE1-CD1 4.22Å; Y5-I37 HydrophobicContact CE1-CG1 3.39Å
6R96.8Very high93.5Very high16 Ų1650.6 Ų50.66%0.0625%0.253CS..EExtended strand (participates in β ladder)trans-97.4127.3171.9-178.3174163.1-114.53.8110.5N15 R16 L17 T35 G36 V38 Q125 Y129R6-N15 VanDerWaalsContact CZ-OD1 3.26Å; R6-N15 PolarHBondContact NE-OD1 3.26Å; R6-N15 PolarHBondContact NH2-OD1 3.42Å; R6-R16 CarbonylContact C-O 3.51Å; R6-R16 VanDerWaalsContact CA-O 3.27Å; R6-R16 WeakPolarHBondContact CA-O 2.95Å; R6-L17 HydrophobicContact CB-CD2 3.96Å; R6-L17 HydrophobicContact CG-CD2 4.07Å; R6-T35 VanDerWaalsContact CB-OG1 3.26Å; R6-T35 WeakPolarHBondContact CB-OG1 3.27Å; R6-T35 VanDerWaalsContact CG-OG1 3.28Å; R6-T35 WeakPolarHBondContact CG-OG1 3.5Å; R6-T35 PolarHBondContact O-N 2.94Å; R6-T35 PolarHBondContact O-OG1 2.85Å; R6-G36 PolarHBondContact N-O 3.41Å; R6-V38 HydrophobicContact CB-CG2 3.5Å; R6-V38 VanDerWaalsContact CB-CG2 3.5Å; R6-Q125 VanDerWaalsContact CD-OE1 3.23Å; R6-Y129 PolarHBondContact NH2-OH 3.05Å
7Y97.1Very high93.8Very high6 Ų647.9 Ų47.92%0.02424%0.239CC..EExtended strand (participates in β ladder)trans-110.9138.4173.8-70.3-96.7000109.7R16 E18 Q24 L27 L28 A33 N34Y7-R16 PolarHBondContact N-O 3.42Å; Y7-R16 PolarHBondContact O-N 2Å; Y7-E18 HydrophobicContact CD2-CB 4.34Å; Y7-E18 HydrophobicContact CE2-CB 4.39Å; Y7-Q24 HydrophobicContact CE2-CB 4.28Å; Y7-Q24 HydrophobicContact CE2-CG 3.68Å; Y7-Q24 VanDerWaalsContact OH-CB 3.32Å; Y7-Q24 WeakPolarHBondContact OH-CB 3.44Å; Y7-Q24 WeakPolarHBondContact OH-CG 3.49Å; Y7-L27 HydrophobicContact CD1-CB 4.22Å; Y7-L27 HydrophobicContact CD1-CD1 4.43Å; Y7-L27 HydrophobicContact CD2-CD1 4.06Å; Y7-L27 HydrophobicContact CG-CB 4.47Å; Y7-L27 HydrophobicContact CG-CD1 3.88Å; Y7-L28 HydrophobicContact CD1-CD2 4.45Å; Y7-L28 HydrophobicContact CE1-CD2 3.89Å; Y7-L28 HydrophobicContact CE1-CG 3.98Å; Y7-A33 CarbonylContact C-O 3.43Å; Y7-A33 VanDerWaalsContact CA-O 3.26Å; Y7-A33 WeakPolarHBondContact CA-O 3.43Å; Y7-N34 HydrophobicContact CD1-CB 4.14Å; Y7-N34 HydrophobicContact CE1-CB 3.72Å
8F95.1Very high93.9Very high53 Ų5345.4 Ų45.423%0.23223%0.227CC..EExtended strand (participates in β ladder)trans-130.7133.4178.9179.7-110.2000110.4A10 E14 N15 Y32 A33 T35F8-A10 HydrophobicContact CE1-CB 3.98Å; F8-E14 WeakPolarHBondContact CA-O 3.18Å; F8-E14 WeakPolarHBondContact CD2-O 3.41Å; F8-N15 WeakPolarHBondContact CD2-ND2 3.09Å; F8-N15 WeakPolarHBondContact CE2-ND2 3.46Å; F8-Y32 WeakPolarHBondContact O-CA 3.31Å; F8-A33 PolarHBondContact N-O 3.35Å; F8-A33 PolarHBondContact O-N 3.08Å; F8-T35 HydrophobicContact CB-CG2 3.65Å
9N93.6Very high94.1Very high13 Ų1343.8 Ų43.87%0.0722%0.221CC..EExtended strand (participates in β ladder)trans-110.7112.6172.8-179.4-30.9000109.6R11 T12 T13 E14 Y32N9-R11 PolarHBondContact O-N 3.28Å; N9-R11 WeakPolarHBondContact OD1-CB 3.46Å; N9-R11 PolarHBondContact OD1-N 2.96Å; N9-T12 WeakPolarHBondContact CB-OG1 3.25Å; N9-T12 PolarHBondContact O-N 3.46Å; N9-T12 PolarHBondContact O-OG1 3.2Å; N9-T12 PolarHBondContact OD1-N 3.04Å; N9-T12 PolarHBondContact OD1-OG1 3.21Å; N9-T13 WeakPolarHBondContact O-CA 2.98Å; N9-T13 PolarHBondContact O-N 2.77Å; N9-E14 PolarHBondContact N-O 3.28Å; N9-E14 PolarHBondContact O-N 3.41Å; N9-Y32 HydrophobicContact CB-CD1 3.55Å; N9-Y32 HydrophobicContact CB-CD2 3.99Å; N9-Y32 HydrophobicContact CB-CE1 3.49Å; N9-Y32 VanDerWaalsContact CB-CE1 3.49Å; N9-Y32 HydrophobicContact CB-CE2 3.97Å; N9-Y32 HydrophobicContact CB-CG 3.79Å
10A88.6Confident94.1Very high79 Ų7946.1 Ų46.165%0.65323%0.234SC*.THydrogen-bonded Turntrans-68-21.6-175.900000113.8F8F8-A10 HydrophobicContact CE1-CB 3.98Å
11R87.7Confident94.1Very high239 Ų23949.2 Ų49.290%0.90226%0.255SS*.THydrogen-bonded Turntrans-77.4-41.5177.9-61.7-176.7-180-134.40.7111.5N9N9-R11 PolarHBondContact O-N 3.28Å; N9-R11 WeakPolarHBondContact OD1-CB 3.46Å; N9-R11 PolarHBondContact OD1-N 2.96Å
12T88.3Confident94.2Very high40 Ų4046.8 Ų46.825%0.24526%0.256CS..THydrogen-bonded Turntrans-93.5-14.1-177.749.40000113.2N9 E14 N67N9-T12 WeakPolarHBondContact CB-OG1 3.25Å; N9-T12 PolarHBondContact O-N 3.46Å; N9-T12 PolarHBondContact O-OG1 3.2Å; N9-T12 PolarHBondContact OD1-N 3.04Å; N9-T12 PolarHBondContact OD1-OG1 3.21Å; T12-E14 PolarHBondContact O-N 2.84Å; T12-E14 WeakPolarHBondContact OG1-CB 3.26Å; T12-E14 PolarHBondContact OG1-N 3.49Å; T12-N67 WeakPolarHBondContact CA-ND2 3.16Å; T12-N67 WeakPolarHBondContact CB-ND2 3.43Å; T12-N67 VanDerWaalsContact CG2-ND2 3.31Å; T12-N67 WeakPolarHBondContact CG2-ND2 3.35Å; T12-N67 PolarHBondContact O-ND2 3.1Å; T12-N67 VanDerWaalsContact O-ND2 3.16Å
13T86.3Confident94.3Very high66 Ų6646.7 Ų46.741%0.40526%0.255SS..THydrogen-bonded Turntrans58.116.5-166.7640000113.8N9 N15N9-T13 WeakPolarHBondContact O-CA 2.98Å; N9-T13 PolarHBondContact O-N 2.77Å; T13-N15 PolarHBondContact O-ND2 2.72Å; T13-N15 VanDerWaalsContact O-ND2 3.14Å
14E91.6Very high94.3Very high12 Ų1246 Ų466%0.05625%0.249CC..EExtended strand (participates in β ladder)trans-76.7135.7-176.1-174.2171.4171.700111.2F8 N9 T12 R16 Y32 Y62 N67F8-E14 WeakPolarHBondContact CA-O 3.18Å; F8-E14 WeakPolarHBondContact CD2-O 3.41Å; N9-E14 PolarHBondContact N-O 3.28Å; N9-E14 PolarHBondContact O-N 3.41Å; T12-E14 PolarHBondContact O-N 2.84Å; T12-E14 WeakPolarHBondContact OG1-CB 3.26Å; T12-E14 PolarHBondContact OG1-N 3.49Å; E14-R16 HydrophobicContact CG-CG 4.25Å; E14-R16 VanDerWaalsContact OE1-CD 3.24Å; E14-R16 WeakPolarHBondContact OE1-CD 3.43Å; E14-R16 IonicContact OE1-NH1 3.24Å; E14-Y32 HydrophobicContact CB-CE1 4.08Å; E14-Y32 HydrophobicContact CG-CE1 4.16Å; E14-Y32 PolarHBondContact OE2-OH 2.87Å; E14-Y62 VanDerWaalsContact OE1-CE2 3.25Å; E14-Y62 WeakPolarHBondContact OE1-CE2 3.49Å; E14-N67 WeakPolarHBondContact CB-O 3.42Å
15N93.6Very high94.2Very high8 Ų847.6 Ų47.64%0.04327%0.265CS..EExtended strand (participates in β ladder)trans-112.1131.8176.6-77-97.1000109.9R6 F8 T13 A69 V119R6-N15 VanDerWaalsContact CZ-OD1 3.26Å; R6-N15 PolarHBondContact NE-OD1 3.26Å; R6-N15 PolarHBondContact NH2-OD1 3.42Å; F8-N15 WeakPolarHBondContact CD2-ND2 3.09Å; F8-N15 WeakPolarHBondContact CE2-ND2 3.46Å; T13-N15 PolarHBondContact O-ND2 2.72Å; T13-N15 VanDerWaalsContact O-ND2 3.14Å; N15-A69 WeakPolarHBondContact O-CB 3.21Å; N15-V119 HydrophobicContact CB-CG2 4.33Å; N15-V119 WeakPolarHBondContact ND2-CG2 3.35Å
16R96.5Very high94.2Very high16 Ų1647.1 Ų47.16%0.0627%0.272CS..EExtended strand (participates in β ladder)trans-131.5131.9-177.9-63.5-62.3-65.2-149.5-11.1110.9R6 Y7 E14 E18 L27 Y32 R60 Y71R6-R16 CarbonylContact C-O 3.51Å; R6-R16 VanDerWaalsContact CA-O 3.27Å; R6-R16 WeakPolarHBondContact CA-O 2.95Å; Y7-R16 PolarHBondContact N-O 3.42Å; Y7-R16 PolarHBondContact O-N 2Å; E14-R16 HydrophobicContact CG-CG 4.25Å; E14-R16 VanDerWaalsContact OE1-CD 3.24Å; E14-R16 WeakPolarHBondContact OE1-CD 3.43Å; E14-R16 IonicContact OE1-NH1 3.24Å; R16-E18 HydrophobicContact CB-CG 4.21Å; R16-E18 IonicContact CZ-OE1 2.93Å; R16-E18 VanDerWaalsContact CZ-OE1 3.24Å; R16-E18 IonicContact NE-OE1 3.06Å; R16-E18 PolarHBondContact NE-OE1 2.93Å; R16-E18 IonicContact NH2-OE1 3.57Å; R16-E18 PolarHBondContact NH2-OE1 2.75Å; R16-L27 HydrophobicContact CB-CD1 3.96Å; R16-L27 HydrophobicContact CG-CD1 4.2Å; R16-L27 HydrophobicContact CG-CD2 4.38Å; R16-Y32 HydrophobicContact CG-CD1 4.27Å; R16-Y32 HydrophobicContact CG-CE1 3.69Å; R16-R60 VanDerWaalsContact CZ-CD 3.49Å; R16-Y71 WeakPolarHBondContact CA-OH 3.47Å; R16-Y71 PolarHBondContact NE-OH 3.46Å
17L97.8Very high94.2Very high4 Ų446.8 Ų46.82%0.02127%0.271CS..EExtended strand (participates in β ladder)trans-102.4118166.5-54.6-174.2000108.4V4 Y5 R6 V38 W41 Y71 Q120 F143V4-L17 HydrophobicContact CG1-CB 3.85Å; Y5-L17 WeakPolarHBondContact O-CA 3.43Å; R6-L17 HydrophobicContact CB-CD2 3.96Å; R6-L17 HydrophobicContact CG-CD2 4.07Å; L17-V38 HydrophobicContact CD2-CG1 4.44Å; L17-V38 HydrophobicContact CD2-CG2 3.89Å; L17-W41 HydrophobicContact CB-CH2 4.02Å; L17-W41 HydrophobicContact CB-CZ3 4.17Å; L17-Y71 HydrophobicContact CB-CD1 4.36Å; L17-Y71 HydrophobicContact CB-CD2 4.3Å; L17-Y71 HydrophobicContact CB-CE1 3.89Å; L17-Y71 HydrophobicContact CB-CE2 3.87Å; L17-Y71 HydrophobicContact CD1-CD2 3.95Å; L17-Y71 HydrophobicContact CD1-CE2 4.28Å; L17-Y71 HydrophobicContact CD1-CG 4.19Å; L17-Y71 HydrophobicContact CG-CD2 3.99Å; L17-Y71 HydrophobicContact CG-CE2 3.79Å; L17-Y71 VanDerWaalsContact N-CZ 3.31Å; L17-Y71 PolarHBondContact N-OH 2.77Å; L17-Y71 WeakPolarHBondContact O-CE1 3.33Å; L17-Y71 PolarHBondContact O-OH 3.2Å; L17-Q120 HydrophobicContact CD1-CB 4.28Å; L17-F143 HydrophobicContact CD1-CZ 4.49Å
18E97.1Very high94.2Very high3 Ų350.9 Ų50.91%0.01429%0.293CS..EExtended strand (participates in β ladder)trans-139.6136.3-174.9-59.4-59.2161.500112.6Y5 Y7 R16 I23 Q24 L27 R60 Y71Y5-E18 PolarHBondContact N-O 3.42Å; Y5-E18 PolarHBondContact O-N 3.24Å; Y7-E18 HydrophobicContact CD2-CB 4.34Å; Y7-E18 HydrophobicContact CE2-CB 4.39Å; R16-E18 HydrophobicContact CB-CG 4.21Å; R16-E18 IonicContact CZ-OE1 2.93Å; R16-E18 VanDerWaalsContact CZ-OE1 3.24Å; R16-E18 IonicContact NE-OE1 3.06Å; R16-E18 PolarHBondContact NE-OE1 2.93Å; R16-E18 IonicContact NH2-OE1 3.57Å; R16-E18 PolarHBondContact NH2-OE1 2.75Å; E18-I23 HydrophobicContact CG-CG2 3.9Å; E18-Q24 HydrophobicContact CB-CG 4.12Å; E18-Q24 PolarHBondContact O-NE2 3.16Å; E18-L27 HydrophobicContact CG-CD1 3.56Å; E18-R60 IonicContact OE1-CZ 3.8Å; E18-R60 IonicContact OE1-NH1 2.78Å; E18-R60 PolarHBondContact OE1-NH1 2.82Å; E18-R60 IonicContact OE2-NH1 2.83Å; E18-R60 PolarHBondContact OE2-NH1 2.84Å; E18-Y71 PolarHBondContact OE1-OH 2.82Å
19A96.4Very high94.3Very high15 Ų1554.6 Ų54.612%0.12432%0.32CS..  trans-115-18.5174.700000113.1D2 T3 V4 T21 Q24 W41D2-A19 HydrophobicContact CB-CB 3.73Å; T3-A19 WeakPolarHBondContact O-CA 3.42Å; T3-A19 WeakPolarHBondContact O-CB 3.4Å; V4-A19 HydrophobicContact CG2-CB 4.42Å; A19-T21 PolarHBondContact O-N 2.89Å; A19-Q24 PolarHBondContact O-NE2 2.83Å; A19-W41 HydrophobicContact CB-CZ2 3.97Å
20D95Very high94.4Very high89 Ų8959.3 Ų59.348%0.47634%0.341SS..  trans-77.2121.1178.8-178.4-76.4000111G22 I23 Q24D20-G22 VanDerWaalsContact C-N 3.27Å; D20-G22 PolarHBondContact O-N 3.42Å; D20-G22 VanDerWaalsContact OD1-CA 3.27Å; D20-G22 WeakPolarHBondContact OD1-CA 3.45Å; D20-G22 PolarHBondContact OD1-N 3.19Å; D20-I23 HydrophobicContact CB-CB 4.17Å; D20-I23 HydrophobicContact CB-CD1 3.99Å; D20-I23 HydrophobicContact CB-CG1 4.05Å; D20-I23 PolarHBondContact O-N 3.31Å; D20-I23 PolarHBondContact OD1-N 3.26Å; D20-Q24 WeakPolarHBondContact O-CB 3.49Å; D20-Q24 WeakPolarHBondContact O-CG 3.31Å; D20-Q24 PolarHBondContact O-N 3.27Å
21T93.8Very high94.7Very high112 Ų11258.1 Ų58.169%0.68734%0.337SS*.Hα-helixtrans-65-28.9-175.552.90000113.4A19 G25A19-T21 PolarHBondContact O-N 2.89Å; T21-G25 PolarHBondContact O-N 2.9Å
22G95.2Very high95.2Very high48 Ų4847.4 Ų47.450%0.49530%0.297SS..Hα-helixtrans-70.4-44.3175.800000111.7D20 G25 S26D20-G22 VanDerWaalsContact C-N 3.27Å; D20-G22 PolarHBondContact O-N 3.42Å; D20-G22 VanDerWaalsContact OD1-CA 3.27Å; D20-G22 WeakPolarHBondContact OD1-CA 3.45Å; D20-G22 PolarHBondContact OD1-N 3.19Å; G22-G25 PolarHBondContact O-N 2.87Å; G22-S26 PolarHBondContact O-N 3.08Å
23I95.5Very high95.6Very high57 Ų5748.2 Ų48.229%0.29231%0.307SS..Hα-helixtrans-64.4-43.6174.1-62178.2000110.3E18 D20 G25 S26 L27E18-I23 HydrophobicContact CG-CG2 3.9Å; D20-I23 HydrophobicContact CB-CB 4.17Å; D20-I23 HydrophobicContact CB-CD1 3.99Å; D20-I23 HydrophobicContact CB-CG1 4.05Å; D20-I23 PolarHBondContact O-N 3.31Å; D20-I23 PolarHBondContact OD1-N 3.26Å; I23-G25 VanDerWaalsContact C-N 3.35Å; I23-G25 PolarHBondContact O-N 2.77Å; I23-S26 WeakPolarHBondContact O-CB 3.36Å; I23-S26 PolarHBondContact O-N 2.81Å; I23-S26 VanDerWaalsContact O-N 3.14Å; I23-L27 HydrophobicContact CG2-CD1 4.28Å; I23-L27 HydrophobicContact CG2-CG 4.27Å; I23-L27 WeakPolarHBondContact O-CG 3.3Å; I23-L27 PolarHBondContact O-N 2.76Å
24Q97.4Very high96.1Very high24 Ų2448.5 Ų48.511%0.11231%0.306CS..Hα-helixtrans-55.6-47.8175.6-73.3173.98.900112.1Y7 E18 A19 D20 S26 L27 L28Y7-Q24 HydrophobicContact CE2-CB 4.28Å; Y7-Q24 HydrophobicContact CE2-CG 3.68Å; Y7-Q24 VanDerWaalsContact OH-CB 3.32Å; Y7-Q24 WeakPolarHBondContact OH-CB 3.44Å; Y7-Q24 WeakPolarHBondContact OH-CG 3.49Å; E18-Q24 HydrophobicContact CB-CG 4.12Å; E18-Q24 PolarHBondContact O-NE2 3.16Å; A19-Q24 PolarHBondContact O-NE2 2.83Å; D20-Q24 WeakPolarHBondContact O-CB 3.49Å; D20-Q24 WeakPolarHBondContact O-CG 3.31Å; D20-Q24 PolarHBondContact O-N 3.27Å; Q24-S26 VanDerWaalsContact C-N 3.34Å; Q24-S26 PolarHBondContact O-N 3.26Å; Q24-L27 PolarHBondContact O-N 2.95Å; Q24-L28 WeakPolarHBondContact O-CG 3.44Å; Q24-L28 PolarHBondContact O-N 2.89Å; Q24-L28 VanDerWaalsContact O-N 3.16Å
25G97.3Very high96.3Very high33 Ų3350.5 Ų50.534%0.3432%0.319SS..Hα-helixtrans-60.3-43.1175.300000112.4T21 G22 I23 L28 V29T21-G25 PolarHBondContact O-N 2.9Å; G22-G25 PolarHBondContact O-N 2.87Å; I23-G25 VanDerWaalsContact C-N 3.35Å; I23-G25 PolarHBondContact O-N 2.77Å; G25-L28 PolarHBondContact O-N 3.18Å; G25-V29 WeakPolarHBondContact O-CG2 3.37Å; G25-V29 PolarHBondContact O-N 3.03Å
26S97.7Very high96.3Very high57 Ų5751.3 Ų51.340%0.39933%0.329SS..Hα-helixtrans-63.1-42.2177.3-172.10000112.8G22 I23 Q24 L28 V29 Q30G22-S26 PolarHBondContact O-N 3.08Å; I23-S26 WeakPolarHBondContact O-CB 3.36Å; I23-S26 PolarHBondContact O-N 2.81Å; I23-S26 VanDerWaalsContact O-N 3.14Å; Q24-S26 VanDerWaalsContact C-N 3.34Å; Q24-S26 PolarHBondContact O-N 3.26Å; S26-L28 VanDerWaalsContact C-N 3.35Å; S26-L28 PolarHBondContact O-N 2.95Å; S26-V29 PolarHBondContact O-N 3.39Å; S26-Q30 VanDerWaalsContact O-CG 3.26Å; S26-Q30 WeakPolarHBondContact O-CG 3.48Å; S26-Q30 PolarHBondContact O-N 2.9Å; S26-Q30 PolarHBondContact O-NE2 3.33Å; S26-Q30 PolarHBondContact OG-NE2 3.25Å
27L97.2Very high96.4Very high9 Ų954.3 Ų54.35%0.04735%0.346CS..Hα-helixtrans-62.6-40.7177.2-72.9-179.1000112.2Y7 R16 E18 I23 Q24 V29 Q30 G31 Y32Y7-L27 HydrophobicContact CD1-CB 4.22Å; Y7-L27 HydrophobicContact CD1-CD1 4.43Å; Y7-L27 HydrophobicContact CD2-CD1 4.06Å; Y7-L27 HydrophobicContact CG-CB 4.47Å; Y7-L27 HydrophobicContact CG-CD1 3.88Å; R16-L27 HydrophobicContact CB-CD1 3.96Å; R16-L27 HydrophobicContact CG-CD1 4.2Å; R16-L27 HydrophobicContact CG-CD2 4.38Å; E18-L27 HydrophobicContact CG-CD1 3.56Å; I23-L27 HydrophobicContact CG2-CD1 4.28Å; I23-L27 HydrophobicContact CG2-CG 4.27Å; I23-L27 WeakPolarHBondContact O-CG 3.3Å; I23-L27 PolarHBondContact O-N 2.76Å; Q24-L27 PolarHBondContact O-N 2.95Å; L27-V29 VanDerWaalsContact C-N 3.34Å; L27-V29 PolarHBondContact O-N 2.92Å; L27-Q30 CarbonylContact O-C 3.58Å; L27-Q30 PolarHBondContact O-N 3.06Å; L27-Q30 VanDerWaalsContact O-N 3.13Å; L27-G31 PolarHBondContact O-N 3.3Å; L27-Y32 HydrophobicContact CB-CD2 4.11Å; L27-Y32 HydrophobicContact CB-CG 4.06Å; L27-Y32 HydrophobicContact CD2-CD1 4.27Å; L27-Y32 HydrophobicContact CD2-CD2 3.72Å; L27-Y32 HydrophobicContact CD2-CE1 4.25Å; L27-Y32 HydrophobicContact CD2-CE2 3.68Å; L27-Y32 HydrophobicContact CD2-CG 4.03Å; L27-Y32 HydrophobicContact CG-CD2 4.5Å; L27-Y32 WeakPolarHBondContact O-CB 3.45Å; L27-Y32 WeakPolarHBondContact O-CD2 3.46Å; L27-Y32 PolarHBondContact O-N 3.02Å
28L97.1Very high96.4Very high92 Ų9254.3 Ų54.348%0.48235%0.346SS..Hα-helixtrans-60.5-43.9176-70.1169.9000111.5Y7 Q24 G25 S26 Q30 G31Y7-L28 HydrophobicContact CD1-CD2 4.45Å; Y7-L28 HydrophobicContact CE1-CD2 3.89Å; Y7-L28 HydrophobicContact CE1-CG 3.98Å; Q24-L28 WeakPolarHBondContact O-CG 3.44Å; Q24-L28 PolarHBondContact O-N 2.89Å; Q24-L28 VanDerWaalsContact O-N 3.16Å; G25-L28 PolarHBondContact O-N 3.18Å; S26-L28 VanDerWaalsContact C-N 3.35Å; S26-L28 PolarHBondContact O-N 2.95Å; L28-Q30 PolarHBondContact O-N 3.49Å; L28-G31 PolarHBondContact O-N 3.5Å
29V96.9Very high96.4Very high131 Ų13154.3 Ų54.379%0.79435%0.346SS*.Hα-helixtrans-62.9-33.5175.8174.50000111.6G25 S26 L27 G31G25-V29 WeakPolarHBondContact O-CG2 3.37Å; G25-V29 PolarHBondContact O-N 3.03Å; S26-V29 PolarHBondContact O-N 3.39Å; L27-V29 VanDerWaalsContact C-N 3.34Å; L27-V29 PolarHBondContact O-N 2.92Å; V29-G31 PolarHBondContact O-N 2.82Å
30Q95.3Very high96.5Very high111 Ų11156.2 Ų56.252%0.51935%0.352SS..THydrogen-bonded Turntrans-77.71.3175.9-66.6171.24800113.8S26 L27 L28 Y32S26-Q30 VanDerWaalsContact O-CG 3.26Å; S26-Q30 WeakPolarHBondContact O-CG 3.48Å; S26-Q30 PolarHBondContact O-N 2.9Å; S26-Q30 PolarHBondContact O-NE2 3.33Å; S26-Q30 PolarHBondContact OG-NE2 3.25Å; L27-Q30 CarbonylContact O-C 3.58Å; L27-Q30 PolarHBondContact O-N 3.06Å; L27-Q30 VanDerWaalsContact O-N 3.13Å; L28-Q30 PolarHBondContact O-N 3.49Å; Q30-Y32 HydrophobicContact CB-CD2 4Å; Q30-Y32 HydrophobicContact CB-CE2 4.14Å
31G95.8Very high96.6Very high54 Ų5452.1 Ų52.156%0.55733%0.33SS*.THydrogen-bonded Turntrans86.816.4175.700000114.9L27 L28 V29L27-G31 PolarHBondContact O-N 3.3Å; L28-G31 PolarHBondContact O-N 3.5Å; V29-G31 PolarHBondContact O-N 2.82Å
32Y97.3Very high96.7Very high15 Ų1546.8 Ų46.86%0.05930%0.297CS..PPolyproline II helixtrans-73.3139.8167.7-71.6-107.6000110.4F8 N9 E14 R16 L27 Q30F8-Y32 WeakPolarHBondContact O-CA 3.31Å; N9-Y32 HydrophobicContact CB-CD1 3.55Å; N9-Y32 HydrophobicContact CB-CD2 3.99Å; N9-Y32 HydrophobicContact CB-CE1 3.49Å; N9-Y32 VanDerWaalsContact CB-CE1 3.49Å; N9-Y32 HydrophobicContact CB-CE2 3.97Å; N9-Y32 HydrophobicContact CB-CG 3.79Å; E14-Y32 HydrophobicContact CB-CE1 4.08Å; E14-Y32 HydrophobicContact CG-CE1 4.16Å; E14-Y32 PolarHBondContact OE2-OH 2.87Å; R16-Y32 HydrophobicContact CG-CD1 4.27Å; R16-Y32 HydrophobicContact CG-CE1 3.69Å; L27-Y32 HydrophobicContact CB-CD2 4.11Å; L27-Y32 HydrophobicContact CB-CG 4.06Å; L27-Y32 HydrophobicContact CD2-CD1 4.27Å; L27-Y32 HydrophobicContact CD2-CD2 3.72Å; L27-Y32 HydrophobicContact CD2-CE1 4.25Å; L27-Y32 HydrophobicContact CD2-CE2 3.68Å; L27-Y32 HydrophobicContact CD2-CG 4.03Å; L27-Y32 HydrophobicContact CG-CD2 4.5Å; L27-Y32 WeakPolarHBondContact O-CB 3.45Å; L27-Y32 WeakPolarHBondContact O-CD2 3.46Å; L27-Y32 PolarHBondContact O-N 3.02Å; Q30-Y32 HydrophobicContact CB-CD2 4Å; Q30-Y32 HydrophobicContact CB-CE2 4.14Å
33A97.2Very high96.6Very high56 Ų5648.3 Ų48.346%0.46329%0.29SS..EExtended strand (participates in β ladder)trans-90.7135.8168.600000110.3Y7 F8 T35Y7-A33 CarbonylContact C-O 3.43Å; Y7-A33 VanDerWaalsContact CA-O 3.26Å; Y7-A33 WeakPolarHBondContact CA-O 3.43Å; F8-A33 PolarHBondContact N-O 3.35Å; F8-A33 PolarHBondContact O-N 3.08Å; A33-T35 PolarHBondContact O-N 3.07Å
34N96.8Very high96.2Very high72 Ų7248.4 Ų48.439%0.38530%0.296SS..EExtended strand (participates in β ladder)trans-74.5116.3166.9-173.4-15.6000109Y7 G36Y7-N34 HydrophobicContact CD1-CB 4.14Å; Y7-N34 HydrophobicContact CE1-CB 3.72Å; N34-G36 PolarHBondContact OD1-N 2.9Å
35T94.7Very high95.7Very high54 Ų5453 Ų5333%0.33133%0.326SS..EExtended strand (participates in β ladder)trans-93.6-2.3-178.465.20000113.4R6 F8 A33R6-T35 VanDerWaalsContact CB-OG1 3.26Å; R6-T35 WeakPolarHBondContact CB-OG1 3.27Å; R6-T35 VanDerWaalsContact CG-OG1 3.28Å; R6-T35 WeakPolarHBondContact CG-OG1 3.5Å; R6-T35 PolarHBondContact O-N 2.94Å; R6-T35 PolarHBondContact O-OG1 2.85Å; F8-T35 HydrophobicContact CB-CG2 3.65Å; A33-T35 PolarHBondContact O-N 3.07Å
36G95.5Very high95.2Very high25 Ų2552.9 Ų52.926%0.25832%0.322SS..EExtended strand (participates in β ladder)trans120.2-178.2173.700000114.1Y5 R6 N34Y5-G36 WeakPolarHBondContact CA-O 3.28Å; R6-G36 PolarHBondContact N-O 3.41Å; N34-G36 PolarHBondContact OD1-N 2.9Å
37I97.2Very high94.6Very high79 Ų7955 Ų5541%0.40532%0.324SS..EExtended strand (participates in β ladder)trans-76132-177.7-64.1167.9000110.1T3 Y5 Q125 A148T3-I37 HydrophobicContact CG2-CD1 4.46Å; T3-I37 HydrophobicContact CG2-CG1 4.15Å; T3-I37 HydrophobicContact CG2-CG2 3.78Å; Y5-I37 HydrophobicContact CD1-CG1 3.83Å; Y5-I37 HydrophobicContact CE1-CD1 4.22Å; Y5-I37 HydrophobicContact CE1-CG1 3.39Å; I37-Q125 PolarHBondContact O-NE2 2.91Å; I37-A148 HydrophobicContact CG2-CB 3.35Å
38V97.4Very high93.9Very high5 Ų562.7 Ų62.73%0.0336%0.36CS..EExtended strand (participates in β ladder)trans-93.4-37.9174.5168.90000112V4 R6 L17 T106 I108 P122 I145V4-V38 HydrophobicContact CB-CB 4.31Å; V4-V38 HydrophobicContact CG1-CB 4.26Å; V4-V38 PolarHBondContact O-N 3.39Å; R6-V38 HydrophobicContact CB-CG2 3.5Å; R6-V38 VanDerWaalsContact CB-CG2 3.5Å; L17-V38 HydrophobicContact CD2-CG1 4.44Å; L17-V38 HydrophobicContact CD2-CG2 3.89Å; V38-T106 WeakPolarHBondContact O-CG2 3.48Å; V38-I108 HydrophobicContact CG1-CD1 3.44Å; V38-I108 VanDerWaalsContact CG1-CD1 3.44Å; V38-P122 HydrophobicContact CB-CG 4.45Å; V38-P122 HydrophobicContact CG1-CG 4.26Å; V38-P122 HydrophobicContact CG2-CG 4.33Å; V38-I145 HydrophobicContact CG1-CD1 3.91Å
39G97.8Very high93.1Very high2 Ų262.4 Ų62.42%0.02138%0.379CS..EExtended strand (participates in β ladder)trans156.3-148.9-179.400000109.7T3 V4 W146T3-G39 CarbonylContact C-O 3.42Å; T3-G39 WeakPolarHBondContact CA-O 3.18Å; V4-G39 PolarHBondContact N-O 2.77Å; G39-W146 CarbonylContact C-O 3.58Å; G39-W146 VanDerWaalsContact CA-O 3.31Å; G39-W146 WeakPolarHBondContact CA-O 3.49Å
40K98Very high92.6Very high56 Ų5659 Ų5924%0.24336%0.356CS..EExtended strand (participates in β ladder)trans-134.9131.9179.3-80174.3177.4164.70109.7M1 D2 T3 I145 W146 A148M1-K40 HydrophobicContact CB-CB 4.09Å; M1-K40 HydrophobicContact SD-CB 4.48Å; D2-K40 VanDerWaalsContact O-CA 3.25Å; D2-K40 WeakPolarHBondContact O-CA 3.33Å; T3-K40 WeakPolarHBondContact OG1-CE 3.46Å; K40-I145 WeakPolarHBondContact O-CB 3.37Å; K40-W146 HydrophobicContact CB-CB 4.39Å; K40-W146 PolarHBondContact N-O 3.13Å; K40-W146 PolarHBondContact O-N 3.13Å; K40-A148 WeakPolarHBondContact CE-OXT 3.48Å; K40-A148 HydrophobicContact CG-CB 4.33Å; K40-A148 PolarHBondContact NZ-OXT 2.95Å
41W97.1Very high92.2Very high2 Ų258.8 Ų58.81%0.00837%0.374CS..EExtended strand (participates in β ladder)trans-112161.6167.757.436.3000111.3M1 D2 V4 L17 A19 K43 V58 Y71 V92 Y94 I145M1-W41 CarbonylContact C-O 3.53Å; M1-W41 WeakPolarHBondContact CA-O 3.3Å; M1-W41 VanDerWaalsContact CB-O 3.26Å; M1-W41 WeakPolarHBondContact CB-O 3.27Å; D2-W41 PolarHBondContact N-O 2.62Å; D2-W41 PolarHBondContact O-N 2.89Å; D2-W41 VanDerWaalsContact O-N 3.16Å; V4-W41 HydrophobicContact CG1-CE3 4.22Å; V4-W41 HydrophobicContact CG1-CH2 3.73Å; V4-W41 HydrophobicContact CG1-CZ2 4.08Å; V4-W41 HydrophobicContact CG1-CZ3 3.82Å; V4-W41 HydrophobicContact CG2-CB 4.27Å; V4-W41 HydrophobicContact CG2-CD2 3.25Å; V4-W41 VanDerWaalsContact CG2-CE2 3.45Å; V4-W41 HydrophobicContact CG2-CE3 3.58Å; V4-W41 HydrophobicContact CG2-CG 3.57Å; V4-W41 HydrophobicContact CG2-CH2 4.19Å; V4-W41 HydrophobicContact CG2-CZ2 3.93Å; V4-W41 HydrophobicContact CG2-CZ3 4.03Å; L17-W41 HydrophobicContact CB-CH2 4.02Å; L17-W41 HydrophobicContact CB-CZ3 4.17Å; A19-W41 HydrophobicContact CB-CZ2 3.97Å; W41-K43 PolarHBondContact O-N 2.92Å; W41-V58 HydrophobicContact CZ3-CG1 4.36Å; W41-Y71 HydrophobicContact CH2-CE1 4.44Å; W41-V92 HydrophobicContact CH2-CB 4.12Å; W41-V92 HydrophobicContact CH2-CG2 3.54Å; W41-V92 HydrophobicContact CZ2-CB 3.93Å; W41-V92 HydrophobicContact CZ2-CG2 3.8Å; W41-V92 HydrophobicContact CZ3-CG2 4Å; W41-V92 PolarHBondContact NE1-O 2.98Å; W41-Y94 WeakPolarHBondContact CB-O 3.32Å; W41-I145 HydrophobicContact CB-CG2 4.25Å
42V96.6Very high92.1Very high1 Ų157 Ų571%0.00635%0.352CS..BIsolated β-bridgetrans-73.2125.3176.3172.30000108.9M1 A46 L55 G93 Y94 W146M1-V42 HydrophobicContact CE-CG2 3.61Å; M1-V42 HydrophobicContact CG-CB 4.49Å; M1-V42 HydrophobicContact CG-CG2 3.79Å; M1-V42 HydrophobicContact SD-CG2 4.42Å; V42-A46 HydrophobicContact CG1-CB 4.4Å; V42-L55 HydrophobicContact CB-CD1 4.47Å; V42-L55 HydrophobicContact CB-CD2 4.3Å; V42-L55 HydrophobicContact CG1-CD1 4.2Å; V42-L55 HydrophobicContact CG2-CD1 4.36Å; V42-L55 HydrophobicContact CG2-CD2 3.99Å; V42-G93 CarbonylContact O-C 3.58Å; V42-G93 WeakPolarHBondContact O-CA 3.02Å; V42-Y94 PolarHBondContact N-O 2.79Å; V42-Y94 PolarHBondContact O-N 3.16Å; V42-W146 HydrophobicContact CG2-CH2 4.04Å; V42-W146 HydrophobicContact CG2-CZ3 3.92Å
43K93.2Very high91.8Very high79 Ų7961.2 Ų61.234%0.34339%0.39SS..  trans-71.7150.917869.6-179.9-177.5-179.90111.2D2 W41 T45 A46 K47D2-K43 WeakPolarHBondContact OD1-CD 3.48Å; D2-K43 WeakPolarHBondContact OD2-CB 3.26Å; W41-K43 PolarHBondContact O-N 2.92Å; K43-T45 VanDerWaalsContact C-N 3.25Å; K43-T45 WeakPolarHBondContact CD-OG1 3.01Å; K43-T45 VanDerWaalsContact CE-OG1 3.26Å; K43-T45 WeakPolarHBondContact CE-OG1 3.47Å; K43-T45 PolarHBondContact O-N 3.37Å; K43-A46 HydrophobicContact CD-CB 4.4Å; K43-A46 HydrophobicContact CG-CB 3.59Å; K43-A46 CarbonylContact O-C 3.58Å; K43-A46 PolarHBondContact O-N 3.47Å; K43-K47 PolarHBondContact O-N 2.78Å
44S87.4Confident91.7Very high60 Ų6063.1 Ų63.142%0.4239%0.389SS..G310 helixtrans-57.4-37.1-176.1-54.70000113.6A46 K47S44-A46 PolarHBondContact O-N 2.83Å; S44-K47 WeakPolarHBondContact O-CB 3.48Å; S44-K47 PolarHBondContact O-N 2.91Å
45T86.6Confident91.7Very high119 Ų11961 Ų6173%0.7338%0.378SS*.G310 helixtrans-71-11.4177.152.40000114.4K43K43-T45 VanDerWaalsContact C-N 3.25Å; K43-T45 WeakPolarHBondContact CD-OG1 3.01Å; K43-T45 VanDerWaalsContact CE-OG1 3.26Å; K43-T45 WeakPolarHBondContact CE-OG1 3.47Å; K43-T45 PolarHBondContact O-N 3.37Å
46A86.6Confident91.8Very high31 Ų3162.7 Ų62.726%0.25638%0.381SS..G310 helixtrans-113.78.2177.900000112.7V42 K43 S44V42-A46 HydrophobicContact CG1-CB 4.4Å; K43-A46 HydrophobicContact CD-CB 4.4Å; K43-A46 HydrophobicContact CG-CB 3.59Å; K43-A46 CarbonylContact O-C 3.58Å; K43-A46 PolarHBondContact O-N 3.47Å; S44-A46 PolarHBondContact O-N 2.83Å
47K86Confident91.8Very high102 Ų10262.8 Ų62.844%0.44338%0.377SS..THydrogen-bonded Turntrans-66.2-46.2172.7179.4-131.8178.8-172.10110K43 S44 G49 N50 Y94K43-K47 PolarHBondContact O-N 2.78Å; S44-K47 WeakPolarHBondContact O-CB 3.48Å; S44-K47 PolarHBondContact O-N 2.91Å; K47-G49 PolarHBondContact O-N 2.91Å; K47-N50 WeakPolarHBondContact O-CB 3.45Å; K47-N50 PolarHBondContact O-N 3.49Å; K47-Y94 HydrophobicContact CB-CD2 4.03Å; K47-Y94 HydrophobicContact CB-CE1 4.47Å; K47-Y94 HydrophobicContact CB-CE2 3.88Å; K47-Y94 HydrophobicContact CB-CG 4.43Å; K47-Y94 HydrophobicContact CD-CE1 3.8Å; K47-Y94 HydrophobicContact CD-CE2 4.3Å; K47-Y94 HydrophobicContact CG-CD1 3.96Å; K47-Y94 HydrophobicContact CG-CD2 4.24Å; K47-Y94 HydrophobicContact CG-CE1 3.71Å; K47-Y94 HydrophobicContact CG-CE2 4.02Å; K47-Y94 HydrophobicContact CG-CG 4.23Å
48E81.7Confident91.9Very high171 Ų17159 Ų5980%0.79936%0.357SS*.THydrogen-bonded Turntrans-67.8125.3172.6-66.5-178.3-176.900109.6
49G79.6Confident91.9Very high86 Ų8660.5 Ų60.589%0.88736%0.363SS*.THydrogen-bonded Turntrans89.3-2.8-175.600000115.2K47K47-G49 PolarHBondContact O-N 2.91Å
50N87.3Confident91.9Very high59 Ų5961.7 Ų61.732%0.31637%0.367SS..  trans-73.2131.2172.7-161.6-64.6000110.8K47 C52 L55K47-N50 WeakPolarHBondContact O-CB 3.45Å; K47-N50 PolarHBondContact O-N 3.49Å; N50-C52 PolarHBondContact O-N 3.02Å; N50-C52 WeakPolarHBondContact OD1-CB 3.45Å; N50-C52 PolarHBondContact OD1-N 3.22Å; N50-L55 HydrophobicContact CB-CD1 3.63Å; N50-L55 VanDerWaalsContact CG-CD1 3.48Å
51A87.3Confident91.9Very high107 Ų10759 Ų5988%0.88436%0.355SS*.SBendtrans-69-15.7179.700000113.7A53A51-A53 PolarHBondContact O-N 3.14Å
52C92.1Very high91.9Very high15 Ų1560.7 Ų60.710%0.10136%0.362CS..  trans-79.4101.3-179179.30000111.9N50 Q54 L55 C102N50-C52 PolarHBondContact O-N 3.02Å; N50-C52 WeakPolarHBondContact OD1-CB 3.45Å; N50-C52 PolarHBondContact OD1-N 3.22Å; C52-Q54 PolarHBondContact O-N 3.42Å; C52-L55 HydrophobicContact CB-CD1 4.24Å; C52-L55 HydrophobicContact CB-CD2 4.44Å; C52-L55 HydrophobicContact CB-CG 3.85Å; C52-L55 WeakPolarHBondContact O-CG 3.26Å; C52-L55 PolarHBondContact O-N 2.86Å; C52-C102 VanDerWaalsContact CA-SG 3.6Å; C52-C102 HydrophobicContact CB-CB 3.61Å; C52-C102 WeakPolarHBondContact CB-SG 3.26Å; C52-C102 WeakPolarHBondContact SG-CB 3.35Å; C52-C102 CovalentContact SG-SG 2Å; C52-C102 PolarHBondContact SG-SG 3.34Å
53A91.6Very high91.9Very high105 Ų10560.8 Ų60.887%0.86836%0.362SS*.THydrogen-bonded Turntrans-68.3-10.5174.500000114.1A51A51-A53 PolarHBondContact O-N 3.14Å
54Q95Very high91.9Very high95 Ų9563.2 Ų63.244%0.44437%0.373SS..THydrogen-bonded Turntrans-95.25-178.4-60.6-170.8-61.200113.7C52 K56 V96C52-Q54 PolarHBondContact O-N 3.42Å; Q54-K56 PolarHBondContact O-N 3.41Å; Q54-V96 HydrophobicContact CB-CG1 4.46Å
55L96.4Very high92.2Very high29 Ų2967.5 Ų67.515%0.15239%0.391CS..  trans-61.2128.1176.4-75.1175.8000111.1V42 N50 C52 Y94 A95 V96 W146V42-L55 HydrophobicContact CB-CD1 4.47Å; V42-L55 HydrophobicContact CB-CD2 4.3Å; V42-L55 HydrophobicContact CG1-CD1 4.2Å; V42-L55 HydrophobicContact CG2-CD1 4.36Å; V42-L55 HydrophobicContact CG2-CD2 3.99Å; N50-L55 HydrophobicContact CB-CD1 3.63Å; N50-L55 VanDerWaalsContact CG-CD1 3.48Å; C52-L55 HydrophobicContact CB-CD1 4.24Å; C52-L55 HydrophobicContact CB-CD2 4.44Å; C52-L55 HydrophobicContact CB-CG 3.85Å; C52-L55 WeakPolarHBondContact O-CG 3.26Å; C52-L55 PolarHBondContact O-N 2.86Å; L55-Y94 HydrophobicContact CB-CD1 4.47Å; L55-A95 WeakPolarHBondContact CA-O 3.3Å; L55-V96 HydrophobicContact CD2-CG1 4.44Å; L55-W146 HydrophobicContact CD2-CH2 3.61Å; L55-W146 HydrophobicContact CD2-CZ2 4.45Å; L55-W146 HydrophobicContact CD2-CZ3 4.41Å
56K96.9Very high92.5Very high89 Ų8964.8 Ų64.839%0.38737%0.369SS..EExtended strand (participates in β ladder)trans-117.6140.5173-67.7-177.6176.1-177.60109.9Q54 V58 I73 Y94 A95Q54-K56 PolarHBondContact O-N 3.41Å; K56-V58 PolarHBondContact O-N 2.9Å; K56-I73 HydrophobicContact CB-CB 4.02Å; K56-I73 HydrophobicContact CB-CG2 4.4Å; K56-I73 HydrophobicContact CD-CD1 4.13Å; K56-Y94 VanDerWaalsContact O-CA 3.28Å; K56-Y94 WeakPolarHBondContact O-CA 3.33Å; K56-A95 PolarHBondContact N-O 3.39Å; K56-A95 PolarHBondContact O-N 3.29Å
57P96.8Very high92.8Very high26 Ų2665.6 Ų65.617%0.16937%0.369CS..EExtended strand (participates in β ladder)trans-63.8135.2174.827.2-34.1000110.4Y59 I73 I91 Y94P57-Y59 HydrophobicContact CB-CD2 4.44Å; P57-Y59 HydrophobicContact CB-CE2 3.91Å; P57-Y59 HydrophobicContact CG-CD2 4.33Å; P57-Y59 HydrophobicContact CG-CE2 3.46Å; P57-Y59 VanDerWaalsContact CG-CE2 3.46Å; P57-I73 WeakPolarHBondContact O-CA 3.36Å; P57-I73 WeakPolarHBondContact O-CG2 3.29Å; P57-I91 HydrophobicContact CB-CD1 3.74Å; P57-I91 HydrophobicContact CB-CG1 3.92Å; P57-I91 HydrophobicContact CB-CG2 3.98Å; P57-Y94 HydrophobicContact CB-CD1 4.19Å; P57-Y94 HydrophobicContact CB-CE1 3.78Å; P57-Y94 HydrophobicContact CG-CE1 4.49Å
58V97.9Very high93.2Very high0 Ų060.8 Ų60.80%035%0.349CS..EExtended strand (participates in β ladder)trans-90.7105.8168.7-176.50000107.2W41 K56 Y71 I73 I91 V92 G93 A95 F143W41-V58 HydrophobicContact CZ3-CG1 4.36Å; K56-V58 PolarHBondContact O-N 2.9Å; V58-Y71 HydrophobicContact CG1-CD1 4.22Å; V58-I73 HydrophobicContact CB-CG2 4.38Å; V58-I73 HydrophobicContact CG2-CG2 3.77Å; V58-I91 WeakPolarHBondContact O-CA 3.49Å; V58-V92 HydrophobicContact CB-CG2 4.09Å; V58-V92 HydrophobicContact CG1-CG2 3.79Å; V58-V92 WeakPolarHBondContact O-CG2 3.37Å; V58-V92 PolarHBondContact O-N 2.64Å; V58-G93 PolarHBondContact N-O 3.11Å; V58-A95 HydrophobicContact CG2-CB 3.46Å; V58-A95 VanDerWaalsContact CG2-CB 3.46Å; V58-F143 HydrophobicContact CG1-CE1 4.22Å; V58-F143 HydrophobicContact CG1-CZ 4.11Å; V58-F143 HydrophobicContact CG2-CE2 4.48Å
59Y97.7Very high94Very high36 Ų3652.7 Ų52.714%0.14131%0.311CS..EExtended strand (participates in β ladder)trans-83.5135.7173.1-63.8-84.4000109.8P57 Y71 L72 Q75 M78 G90 I91P57-Y59 HydrophobicContact CB-CD2 4.44Å; P57-Y59 HydrophobicContact CB-CE2 3.91Å; P57-Y59 HydrophobicContact CG-CD2 4.33Å; P57-Y59 HydrophobicContact CG-CE2 3.46Å; P57-Y59 VanDerWaalsContact CG-CE2 3.46Å; Y59-Y71 CarbonylContact O-C 3.54Å; Y59-Y71 VanDerWaalsContact O-CA 3.27Å; Y59-Y71 WeakPolarHBondContact O-CA 3.34Å; Y59-L72 PolarHBondContact N-O 2.98Å; Y59-L72 PolarHBondContact O-N 2.89Å; Y59-Q75 HydrophobicContact CE2-CG 4.47Å; Y59-Q75 PolarHBondContact OH-NE2 2.85Å; Y59-M78 HydrophobicContact CD1-SD 4.15Å; Y59-M78 HydrophobicContact CD2-SD 3.85Å; Y59-M78 HydrophobicContact CE2-SD 4.26Å; Y59-M78 HydrophobicContact CG-SD 3.78Å; Y59-G90 WeakPolarHBondContact CA-O 3.26Å; Y59-I91 HydrophobicContact CD1-CG1 3.8Å; Y59-I91 HydrophobicContact CE1-CD1 4.04Å; Y59-I91 HydrophobicContact CE1-CG1 3.53Å
60R97.5Very high94.8Very high28 Ų2849.2 Ų49.211%0.10627%0.271CS..EExtended strand (participates in β ladder)trans-96.5117.3167.8-176.7174.269.2-151.4-9.6109R16 E18 Y71 Q89 G90 V92R16-R60 VanDerWaalsContact CZ-CD 3.49Å; E18-R60 IonicContact OE1-CZ 3.8Å; E18-R60 IonicContact OE1-NH1 2.78Å; E18-R60 PolarHBondContact OE1-NH1 2.82Å; E18-R60 IonicContact OE2-NH1 2.83Å; E18-R60 PolarHBondContact OE2-NH1 2.84Å; R60-Y71 HydrophobicContact CB-CD1 4.14Å; R60-Y71 HydrophobicContact CB-CE1 3.96Å; R60-Y71 HydrophobicContact CG-CD1 4.24Å; R60-Y71 HydrophobicContact CG-CE1 3.72Å; R60-Q89 WeakPolarHBondContact O-CA 3.27Å; R60-Q89 VanDerWaalsContact O-CB 3.31Å; R60-Q89 WeakPolarHBondContact O-CB 3.44Å; R60-Q89 PolarHBondContact O-N 2.83Å; R60-G90 PolarHBondContact N-O 3.23Å; R60-V92 HydrophobicContact CB-CG1 3.68Å
61L98Very high95.3Very high0 Ų046.5 Ų46.50%026%0.257CS..EExtended strand (participates in β ladder)trans-100.5153.3170.5-72.572.3000108.8A69 Y70 L72 M78 E81 L82 Y86 E87L61-A69 CarbonylContact O-C 3.48Å; L61-A69 VanDerWaalsContact O-CA 3.28Å; L61-A69 WeakPolarHBondContact O-CA 3.48Å; L61-Y70 WeakPolarHBondContact CB-O 3.45Å; L61-Y70 PolarHBondContact N-O 3.41Å; L61-Y70 PolarHBondContact O-N 2.8Å; L61-L72 HydrophobicContact CD1-CB 4.25Å; L61-L72 HydrophobicContact CD1-CD1 4.17Å; L61-L72 HydrophobicContact CD2-CD1 3.94Å; L61-M78 HydrophobicContact CD1-CG 4.17Å; L61-M78 HydrophobicContact CD2-CG 4.1Å; L61-E81 HydrophobicContact CD2-CB 3.84Å; L61-L82 HydrophobicContact CD2-CD2 4.14Å; L61-Y86 HydrophobicContact CB-CD1 3.94Å; L61-Y86 HydrophobicContact CB-CG 4.37Å; L61-E87 CarbonylContact C-O 3.5Å; L61-E87 VanDerWaalsContact CA-O 3.25Å; L61-E87 WeakPolarHBondContact CA-O 3.38Å
62Y97.7Very high95.8Very high37 Ų3741.9 Ų41.915%0.14522%0.217CC..EExtended strand (participates in β ladder)trans-137.7129.3176.3-178.5-106.1000111.8E14 K64 N67 S68 E87E14-Y62 VanDerWaalsContact OE1-CE2 3.25Å; E14-Y62 WeakPolarHBondContact OE1-CE2 3.49Å; Y62-K64 HydrophobicContact CD1-CG 4.11Å; Y62-K64 HydrophobicContact CE1-CB 4.39Å; Y62-K64 HydrophobicContact CE1-CG 3.67Å; Y62-N67 PolarHBondContact OH-OD1 2.82Å; Y62-S68 WeakPolarHBondContact CA-O 3.39Å; Y62-S68 WeakPolarHBondContact CD2-O 3.43Å; Y62-E87 PolarHBondContact N-O 2.7Å; Y62-E87 PolarHBondContact O-N 3.03Å
63S96.8Very high96.1Very high3 Ų341.8 Ų41.82%0.02122%0.215CC..EExtended strand (participates in β ladder)trans-104.4115.7171.8-179.60000109.7N65 K66 N67 S68 Y86S63-N65 VanDerWaalsContact C-N 3.27Å; S63-N65 PolarHBondContact O-N 2.81Å; S63-N65 PolarHBondContact OG-N 2.74Å; S63-K66 PolarHBondContact O-N 2.62Å; S63-K66 PolarHBondContact OG-N 2.94Å; S63-N67 VanDerWaalsContact O-CA 3.32Å; S63-N67 WeakPolarHBondContact O-CA 3.44Å; S63-N67 PolarHBondContact O-N 2.9Å; S63-S68 PolarHBondContact N-O 2.84Å; S63-S68 PolarHBondContact O-N 2.76Å; S63-Y86 VanDerWaalsContact CB-CE1 3.43Å; S63-Y86 VanDerWaalsContact N-CD1 3.34Å
64K93.7Very high96.2Very high130 Ų13040.3 Ų40.357%0.56519%0.193SC*.THydrogen-bonded Turntrans-61.7-37.9170.8-72.5169.3-177.6150.40111.7Y62 E87Y62-K64 HydrophobicContact CD1-CG 4.11Å; Y62-K64 HydrophobicContact CE1-CB 4.39Å; Y62-K64 HydrophobicContact CE1-CG 3.67Å; K64-E87 WeakPolarHBondContact CE-OE1 3.4Å; K64-E87 VanDerWaalsContact NZ-CD 3.31Å; K64-E87 IonicContact NZ-OE1 2.72Å; K64-E87 PolarHBondContact NZ-OE1 2.86Å; K64-E87 IonicContact NZ-OE2 2.72Å; K64-E87 PolarHBondContact NZ-OE2 3.14Å
65N92.8Very high96.1Very high150 Ų15041.1 Ų41.180%0.80220%0.197SC*.THydrogen-bonded Turntrans-68.1-37.9-178.1-67.6-18.5000112.5S63S63-N65 VanDerWaalsContact C-N 3.27Å; S63-N65 PolarHBondContact O-N 2.81Å; S63-N65 PolarHBondContact OG-N 2.74Å
66K93.1Very high96Very high61 Ų6145.9 Ų45.927%0.26522%0.222SC..THydrogen-bonded Turntrans-96.2-7.8179.6-58.4-171.6-177.5-178.40113.6S63 S68S63-K66 PolarHBondContact O-N 2.62Å; S63-K66 PolarHBondContact OG-N 2.94Å; K66-S68 VanDerWaalsContact C-N 3.28Å; K66-S68 PolarHBondContact O-N 3.44Å
67N93Very high95.9Very high48 Ų4844 Ų4426%0.25722%0.218SC..THydrogen-bonded Turntrans53.446.1-176.6-153.522.7000112.6T12 E14 Y62 S63T12-N67 WeakPolarHBondContact CA-ND2 3.16Å; T12-N67 WeakPolarHBondContact CB-ND2 3.43Å; T12-N67 VanDerWaalsContact CG2-ND2 3.31Å; T12-N67 WeakPolarHBondContact CG2-ND2 3.35Å; T12-N67 PolarHBondContact O-ND2 3.1Å; T12-N67 VanDerWaalsContact O-ND2 3.16Å; E14-N67 WeakPolarHBondContact CB-O 3.42Å; Y62-N67 PolarHBondContact OH-OD1 2.82Å; S63-N67 VanDerWaalsContact O-CA 3.32Å; S63-N67 WeakPolarHBondContact O-CA 3.44Å; S63-N67 PolarHBondContact O-N 2.9Å
68S95.6Very high95.8Very high2 Ų243.9 Ų43.91%0.01422%0.215CC..EExtended strand (participates in β ladder)trans-137.7129.9-167.6-176.70000110.4Y62 S63 K66 V118Y62-S68 WeakPolarHBondContact CA-O 3.39Å; Y62-S68 WeakPolarHBondContact CD2-O 3.43Å; S63-S68 PolarHBondContact N-O 2.84Å; S63-S68 PolarHBondContact O-N 2.76Å; K66-S68 VanDerWaalsContact C-N 3.28Å; K66-S68 PolarHBondContact O-N 3.44Å; S68-V118 PolarHBondContact OG-N 2.84Å; S68-V118 PolarHBondContact OG-O 3.23Å
69A97Very high95.7Very high1 Ų148.5 Ų48.51%0.00824%0.237CC..EExtended strand (participates in β ladder)trans-80.1146.3160.800000109.9N15 L61 Y71N15-A69 WeakPolarHBondContact O-CB 3.21Å; L61-A69 CarbonylContact O-C 3.48Å; L61-A69 VanDerWaalsContact O-CA 3.28Å; L61-A69 WeakPolarHBondContact O-CA 3.48Å; A69-Y71 HydrophobicContact CB-CE2 3.81Å
70Y97.3Very high95.6Very high12 Ų1249.6 Ų49.65%0.04725%0.247CC..EExtended strand (participates in β ladder)trans-136.4123.3175.4-172.1-172000109.4L61 L72 E81 Y86 E110 V118L61-Y70 WeakPolarHBondContact CB-O 3.45Å; L61-Y70 PolarHBondContact N-O 3.41Å; L61-Y70 PolarHBondContact O-N 2.8Å; Y70-L72 HydrophobicContact CD1-CD1 3.93Å; Y70-L72 HydrophobicContact CD1-CG 4.24Å; Y70-L72 HydrophobicContact CD2-CD2 4.33Å; Y70-L72 HydrophobicContact CD2-CG 4.03Å; Y70-L72 HydrophobicContact CE1-CD1 3.8Å; Y70-L72 HydrophobicContact CE1-CD2 4.06Å; Y70-L72 HydrophobicContact CE1-CG 4.07Å; Y70-L72 HydrophobicContact CE2-CD1 4.46Å; Y70-L72 HydrophobicContact CE2-CD2 3.61Å; Y70-L72 HydrophobicContact CE2-CG 3.82Å; Y70-L72 HydrophobicContact CG-CD1 4.33Å; Y70-L72 HydrophobicContact CG-CG 4.23Å; Y70-L72 VanDerWaalsContact CZ-CD2 3.47Å; Y70-E81 HydrophobicContact CD1-CG 4.04Å; Y70-E81 HydrophobicContact CE1-CG 3.77Å; Y70-Y86 HydrophobicContact CD1-CE1 4.42Å; Y70-E110 HydrophobicContact CE2-CG 4.4Å; Y70-E110 VanDerWaalsContact CE2-OE2 3.26Å; Y70-E110 WeakPolarHBondContact CE2-OE2 3.45Å; Y70-E110 PolarHBondContact OH-OE1 3.29Å; Y70-E110 PolarHBondContact OH-OE2 2.69Å; Y70-V118 HydrophobicContact CD1-CG2 4.05Å; Y70-V118 HydrophobicContact CD2-CB 4.06Å; Y70-V118 HydrophobicContact CD2-CG1 3.85Å; Y70-V118 HydrophobicContact CD2-CG2 4.21Å; Y70-V118 HydrophobicContact CE1-CG2 4.08Å; Y70-V118 HydrophobicContact CE2-CB 4.4Å; Y70-V118 HydrophobicContact CE2-CG1 3.87Å; Y70-V118 HydrophobicContact CE2-CG2 4.28Å; Y70-V118 HydrophobicContact CG-CB 4.21Å; Y70-V118 HydrophobicContact CG-CG1 4.49Å; Y70-V118 HydrophobicContact CG-CG2 4.11Å
71Y98.3Very high95.5Very high3 Ų348.9 Ų48.91%0.01225%0.245CC..EExtended strand (participates in β ladder)trans-101.5114.9-175.7-59.8-93.5000110.2R16 L17 E18 W41 V58 Y59 R60 A69 V92 Q120R16-Y71 WeakPolarHBondContact CA-OH 3.47Å; R16-Y71 PolarHBondContact NE-OH 3.46Å; L17-Y71 HydrophobicContact CB-CD1 4.36Å; L17-Y71 HydrophobicContact CB-CD2 4.3Å; L17-Y71 HydrophobicContact CB-CE1 3.89Å; L17-Y71 HydrophobicContact CB-CE2 3.87Å; L17-Y71 HydrophobicContact CD1-CD2 3.95Å; L17-Y71 HydrophobicContact CD1-CE2 4.28Å; L17-Y71 HydrophobicContact CD1-CG 4.19Å; L17-Y71 HydrophobicContact CG-CD2 3.99Å; L17-Y71 HydrophobicContact CG-CE2 3.79Å; L17-Y71 VanDerWaalsContact N-CZ 3.31Å; L17-Y71 PolarHBondContact N-OH 2.77Å; L17-Y71 WeakPolarHBondContact O-CE1 3.33Å; L17-Y71 PolarHBondContact O-OH 3.2Å; E18-Y71 PolarHBondContact OE1-OH 2.82Å; W41-Y71 HydrophobicContact CH2-CE1 4.44Å; V58-Y71 HydrophobicContact CG1-CD1 4.22Å; Y59-Y71 CarbonylContact O-C 3.54Å; Y59-Y71 VanDerWaalsContact O-CA 3.27Å; Y59-Y71 WeakPolarHBondContact O-CA 3.34Å; R60-Y71 HydrophobicContact CB-CD1 4.14Å; R60-Y71 HydrophobicContact CB-CE1 3.96Å; R60-Y71 HydrophobicContact CG-CD1 4.24Å; R60-Y71 HydrophobicContact CG-CE1 3.72Å; A69-Y71 HydrophobicContact CB-CE2 3.81Å; Y71-V92 HydrophobicContact CD1-CG2 3.98Å; Y71-V92 HydrophobicContact CE1-CG2 4.15Å; Y71-Q120 VanDerWaalsContact CD2-OE1 3.32Å; Y71-Q120 PolarHBondContact O-NE2 2.84Å
72L97Very high95.5Very high9 Ų951.4 Ų51.45%0.04726%0.258CS..EExtended strand (participates in β ladder)trans-126.7140.8-172.7-76.8170.5000111.9Y59 L61 Y70 V77 M78 E81Y59-L72 PolarHBondContact N-O 2.98Å; Y59-L72 PolarHBondContact O-N 2.89Å; L61-L72 HydrophobicContact CD1-CB 4.25Å; L61-L72 HydrophobicContact CD1-CD1 4.17Å; L61-L72 HydrophobicContact CD2-CD1 3.94Å; Y70-L72 HydrophobicContact CD1-CD1 3.93Å; Y70-L72 HydrophobicContact CD1-CG 4.24Å; Y70-L72 HydrophobicContact CD2-CD2 4.33Å; Y70-L72 HydrophobicContact CD2-CG 4.03Å; Y70-L72 HydrophobicContact CE1-CD1 3.8Å; Y70-L72 HydrophobicContact CE1-CD2 4.06Å; Y70-L72 HydrophobicContact CE1-CG 4.07Å; Y70-L72 HydrophobicContact CE2-CD1 4.46Å; Y70-L72 HydrophobicContact CE2-CD2 3.61Å; Y70-L72 HydrophobicContact CE2-CG 3.82Å; Y70-L72 HydrophobicContact CG-CD1 4.33Å; Y70-L72 HydrophobicContact CG-CG 4.23Å; Y70-L72 VanDerWaalsContact CZ-CD2 3.47Å; L72-V77 HydrophobicContact CD1-CG1 4.08Å; L72-V77 HydrophobicContact CD2-CB 4.29Å; L72-V77 HydrophobicContact CD2-CG1 3.78Å; L72-M78 HydrophobicContact CD1-CB 4.31Å; L72-E81 HydrophobicContact CD1-CG 4.21Å
73I97.6Very high95.4Very high14 Ų1456.3 Ų56.37%0.07228%0.283CS..  trans-110.3-15.5169.161.5160.6000112.6K56 P57 V58 A95 S97 F143K56-I73 HydrophobicContact CB-CB 4.02Å; K56-I73 HydrophobicContact CB-CG2 4.4Å; K56-I73 HydrophobicContact CD-CD1 4.13Å; P57-I73 WeakPolarHBondContact O-CA 3.36Å; P57-I73 WeakPolarHBondContact O-CG2 3.29Å; V58-I73 HydrophobicContact CB-CG2 4.38Å; V58-I73 HydrophobicContact CG2-CG2 3.77Å; I73-A95 HydrophobicContact CG2-CB 4.45Å; I73-S97 VanDerWaalsContact CD1-CA 3.49Å; I73-F143 HydrophobicContact CD1-CB 3.67Å; I73-F143 HydrophobicContact CG1-CB 4.05Å; I73-F143 HydrophobicContact CG2-CB 4.02Å; I73-F143 HydrophobicContact CG2-CD1 4.17Å; I73-F143 HydrophobicContact CG2-CG 4.19Å
74N94.8Very high95.1Very high74 Ų7464 Ų6440%0.39631%0.311SS..  trans-91.5116.2-179.7-174.4-27000109.4D76 V77 M78N74-D76 WeakPolarHBondContact OD1-CB 3.28Å; N74-D76 PolarHBondContact OD1-N 3.32Å; N74-V77 HydrophobicContact CB-CB 4.21Å; N74-V77 HydrophobicContact CB-CG2 4.01Å; N74-V77 PolarHBondContact O-N 3.49Å; N74-V77 PolarHBondContact OD1-N 3.22Å; N74-M78 WeakPolarHBondContact O-CB 3.46Å; N74-M78 PolarHBondContact O-N 3.04Å
75Q91.8Very high95.2Very high112 Ų11259.7 Ų59.752%0.52330%0.303SS..Hα-helixtrans-71.1-30-177.1-69.3-174-31.100113.2Y59 M78 Q79Y59-Q75 HydrophobicContact CE2-CG 4.47Å; Y59-Q75 PolarHBondContact OH-NE2 2.85Å; Q75-M78 HydrophobicContact CB-CE 4.38Å; Q75-M78 HydrophobicContact CG-CE 4.19Å; Q75-M78 WeakPolarHBondContact O-CB 3.26Å; Q75-M78 PolarHBondContact O-N 2.76Å; Q75-Q79 PolarHBondContact O-N 3.36Å
76D94.1Very high95.4Very high129 Ų12952.9 Ų52.969%0.6927%0.267SS*.Hα-helixtrans-67.5-43.4177.3-58-33.7000110.2N74 Q79 V80N74-D76 WeakPolarHBondContact OD1-CB 3.28Å; N74-D76 PolarHBondContact OD1-N 3.32Å; D76-Q79 PolarHBondContact O-N 3Å; D76-V80 PolarHBondContact O-N 3.46Å
77V94.5Very high95.6Very high50 Ų5054.1 Ų54.130%0.30327%0.273SS..Hα-helixtrans-65.6-41.7174.3-179.30000110.5L72 N74 Q79 V80 E81L72-V77 HydrophobicContact CD1-CG1 4.08Å; L72-V77 HydrophobicContact CD2-CB 4.29Å; L72-V77 HydrophobicContact CD2-CG1 3.78Å; N74-V77 HydrophobicContact CB-CB 4.21Å; N74-V77 HydrophobicContact CB-CG2 4.01Å; N74-V77 PolarHBondContact O-N 3.49Å; N74-V77 PolarHBondContact OD1-N 3.22Å; V77-Q79 VanDerWaalsContact C-N 3.33Å; V77-Q79 PolarHBondContact O-N 3.37Å; V77-V80 PolarHBondContact O-N 3.13Å; V77-E81 HydrophobicContact CG1-CG 4.38Å; V77-E81 WeakPolarHBondContact O-CG 3.45Å; V77-E81 PolarHBondContact O-N 3.46Å
78M96.1Very high95.8Very high22 Ų2255.1 Ų55.111%0.10828%0.279CS..Hα-helixtrans-55.7-48.3176.4179.7179.670.900111.1Y59 L61 L72 N74 Q75 V80 E81 L82Y59-M78 HydrophobicContact CD1-SD 4.15Å; Y59-M78 HydrophobicContact CD2-SD 3.85Å; Y59-M78 HydrophobicContact CE2-SD 4.26Å; Y59-M78 HydrophobicContact CG-SD 3.78Å; L61-M78 HydrophobicContact CD1-CG 4.17Å; L61-M78 HydrophobicContact CD2-CG 4.1Å; L72-M78 HydrophobicContact CD1-CB 4.31Å; N74-M78 WeakPolarHBondContact O-CB 3.46Å; N74-M78 PolarHBondContact O-N 3.04Å; Q75-M78 HydrophobicContact CB-CE 4.38Å; Q75-M78 HydrophobicContact CG-CE 4.19Å; Q75-M78 WeakPolarHBondContact O-CB 3.26Å; Q75-M78 PolarHBondContact O-N 2.76Å; M78-V80 VanDerWaalsContact C-N 3.31Å; M78-V80 PolarHBondContact O-N 2.78Å; M78-E81 PolarHBondContact O-N 3.37Å; M78-E81 VanDerWaalsContact O-N 3.09Å; M78-L82 HydrophobicContact CG-CD1 4.21Å; M78-L82 HydrophobicContact CG-CG 4.32Å; M78-L82 VanDerWaalsContact O-CG 3.3Å; M78-L82 WeakPolarHBondContact O-CG 3.27Å; M78-L82 PolarHBondContact O-N 2.93Å
79Q95.7Very high95.9Very high98 Ų9858.8 Ų58.846%0.45830%0.296SS..Hα-helixtrans-57.9-43.8-179.5-177.856.632.500112.1Q75 D76 V77 E81 L82 E83Q75-Q79 PolarHBondContact O-N 3.36Å; D76-Q79 PolarHBondContact O-N 3Å; V77-Q79 VanDerWaalsContact C-N 3.33Å; V77-Q79 PolarHBondContact O-N 3.37Å; Q79-E81 VanDerWaalsContact C-N 3.34Å; Q79-E81 PolarHBondContact O-N 2.91Å; Q79-L82 PolarHBondContact O-N 3.43Å; Q79-E83 PolarHBondContact NE2-OE1 2.88Å; Q79-E83 WeakPolarHBondContact O-CG 3.45Å; Q79-E83 PolarHBondContact O-N 3.18Å; Q79-E83 VanDerWaalsContact O-N 3.11Å
80V96Very high95.8Very high58 Ų5860.1 Ų60.135%0.35231%0.31SS..Hα-helixtrans-62.1-40.8175.9174.60000111.8D76 V77 M78 E83 R84D76-V80 PolarHBondContact O-N 3.46Å; V77-V80 PolarHBondContact O-N 3.13Å; M78-V80 VanDerWaalsContact C-N 3.31Å; M78-V80 PolarHBondContact O-N 2.78Å; V80-E83 PolarHBondContact O-N 3.27Å; V80-R84 VanDerWaalsContact O-CG 3.28Å; V80-R84 WeakPolarHBondContact O-CG 3.5Å; V80-R84 PolarHBondContact O-N 3.03Å; V80-R84 VanDerWaalsContact O-N 3.1Å
81E95Very high95.7Very high13 Ų1362.6 Ų62.66%0.06132%0.323CS..Hα-helixtrans-71.9-31.6179.2-66.4-55.4127.200112.9L61 Y70 L72 V77 M78 Q79 R84 G85 Y86L61-E81 HydrophobicContact CD2-CB 3.84Å; Y70-E81 HydrophobicContact CD1-CG 4.04Å; Y70-E81 HydrophobicContact CE1-CG 3.77Å; L72-E81 HydrophobicContact CD1-CG 4.21Å; V77-E81 HydrophobicContact CG1-CG 4.38Å; V77-E81 WeakPolarHBondContact O-CG 3.45Å; V77-E81 PolarHBondContact O-N 3.46Å; M78-E81 PolarHBondContact O-N 3.37Å; M78-E81 VanDerWaalsContact O-N 3.09Å; Q79-E81 VanDerWaalsContact C-N 3.34Å; Q79-E81 PolarHBondContact O-N 2.91Å; E81-R84 CarbonylContact O-C 3.49Å; E81-R84 WeakPolarHBondContact O-CA 3.4Å; E81-R84 WeakPolarHBondContact O-CB 3.32Å; E81-R84 PolarHBondContact O-N 2.88Å; E81-R84 VanDerWaalsContact O-N 3.16Å; E81-R84 WeakPolarHBondContact OE1-CD 3.35Å; E81-R84 IonicContact OE1-CZ 3.62Å; E81-R84 IonicContact OE1-NE 3.88Å; E81-R84 IonicContact OE1-NH1 2.76Å; E81-R84 PolarHBondContact OE1-NH1 3.29Å; E81-G85 PolarHBondContact O-N 3.3Å; E81-Y86 HydrophobicContact CB-CD2 3.99Å; E81-Y86 HydrophobicContact CB-CG 4.36Å; E81-Y86 WeakPolarHBondContact O-CB 3.42Å; E81-Y86 WeakPolarHBondContact O-CD2 3.24Å; E81-Y86 PolarHBondContact O-N 3.42Å; E81-Y86 WeakPolarHBondContact OE2-CD2 3.48Å; E81-Y86 WeakPolarHBondContact OE2-CE2 3.31Å
82L96.7Very high95.6Very high53 Ų5363.9 Ų63.928%0.27733%0.331SS..Hα-helixtrans-63.1-43.3171.5-64.1177.7000111.2L61 M78 Q79 R84 G85 Y86 N88L61-L82 HydrophobicContact CD2-CD2 4.14Å; M78-L82 HydrophobicContact CG-CD1 4.21Å; M78-L82 HydrophobicContact CG-CG 4.32Å; M78-L82 VanDerWaalsContact O-CG 3.3Å; M78-L82 WeakPolarHBondContact O-CG 3.27Å; M78-L82 PolarHBondContact O-N 2.93Å; Q79-L82 PolarHBondContact O-N 3.43Å; L82-R84 PolarHBondContact O-N 3.14Å; L82-G85 PolarHBondContact O-N 3.49Å; L82-Y86 VanDerWaalsContact CD2-O 3.29Å; L82-Y86 WeakPolarHBondContact CD2-O 3.5Å; L82-N88 HydrophobicContact CD2-CB 4.01Å
83E95.6Very high95.5Very high141 Ų14163.4 Ų63.466%0.65933%0.329SS*.Hα-helixtrans-63.9-26.6174.3-70.7168.5-164.300112.5Q79 V80 G85Q79-E83 PolarHBondContact NE2-OE1 2.88Å; Q79-E83 WeakPolarHBondContact O-CG 3.45Å; Q79-E83 PolarHBondContact O-N 3.18Å; Q79-E83 VanDerWaalsContact O-N 3.11Å; V80-E83 PolarHBondContact O-N 3.27Å; E83-G85 PolarHBondContact O-N 2.84Å
84R92.2Very high95.5Very high164 Ų16464 Ų6462%0.61933%0.33SS*.THydrogen-bonded Turntrans-82.25173.3-68.8168.1175.2-1780.2113.8V80 E81 L82V80-R84 VanDerWaalsContact O-CG 3.28Å; V80-R84 WeakPolarHBondContact O-CG 3.5Å; V80-R84 PolarHBondContact O-N 3.03Å; V80-R84 VanDerWaalsContact O-N 3.1Å; E81-R84 CarbonylContact O-C 3.49Å; E81-R84 WeakPolarHBondContact O-CA 3.4Å; E81-R84 WeakPolarHBondContact O-CB 3.32Å; E81-R84 PolarHBondContact O-N 2.88Å; E81-R84 VanDerWaalsContact O-N 3.16Å; E81-R84 WeakPolarHBondContact OE1-CD 3.35Å; E81-R84 IonicContact OE1-CZ 3.62Å; E81-R84 IonicContact OE1-NE 3.88Å; E81-R84 IonicContact OE1-NH1 2.76Å; E81-R84 PolarHBondContact OE1-NH1 3.29Å; L82-R84 PolarHBondContact O-N 3.14Å
85G94.1Very high95.7Very high39 Ų3960.4 Ų60.440%0.40231%0.311SS..THydrogen-bonded Turntrans87.718.3174.200000114.9E81 L82 E83E81-G85 PolarHBondContact O-N 3.3Å; L82-G85 PolarHBondContact O-N 3.49Å; E83-G85 PolarHBondContact O-N 2.84Å
86Y97.2Very high96Very high7 Ų755.1 Ų55.13%0.02729%0.286CS..PPolyproline II helixtrans-74.1145.2160.9-77.8-99.9000110.5L61 S63 Y70 E81 L82L61-Y86 HydrophobicContact CB-CD1 3.94Å; L61-Y86 HydrophobicContact CB-CG 4.37Å; S63-Y86 VanDerWaalsContact CB-CE1 3.43Å; S63-Y86 VanDerWaalsContact N-CD1 3.34Å; Y70-Y86 HydrophobicContact CD1-CE1 4.42Å; E81-Y86 HydrophobicContact CB-CD2 3.99Å; E81-Y86 HydrophobicContact CB-CG 4.36Å; E81-Y86 WeakPolarHBondContact O-CB 3.42Å; E81-Y86 WeakPolarHBondContact O-CD2 3.24Å; E81-Y86 PolarHBondContact O-N 3.42Å; E81-Y86 WeakPolarHBondContact OE2-CD2 3.48Å; E81-Y86 WeakPolarHBondContact OE2-CE2 3.31Å; L82-Y86 VanDerWaalsContact CD2-O 3.29Å; L82-Y86 WeakPolarHBondContact CD2-O 3.5Å
87E98.1Very high96.1Very high88 Ų8851.2 Ų51.241%0.41127%0.269SS..EExtended strand (participates in β ladder)trans-102.7131.3175.1-64.9173.9-17100109.6L61 Y62 K64 Q89L61-E87 CarbonylContact C-O 3.5Å; L61-E87 VanDerWaalsContact CA-O 3.25Å; L61-E87 WeakPolarHBondContact CA-O 3.38Å; Y62-E87 PolarHBondContact N-O 2.7Å; Y62-E87 PolarHBondContact O-N 3.03Å; K64-E87 WeakPolarHBondContact CE-OE1 3.4Å; K64-E87 VanDerWaalsContact NZ-CD 3.31Å; K64-E87 IonicContact NZ-OE1 2.72Å; K64-E87 PolarHBondContact NZ-OE1 2.86Å; K64-E87 IonicContact NZ-OE2 2.72Å; K64-E87 PolarHBondContact NZ-OE2 3.14Å; E87-Q89 PolarHBondContact O-N 2.84Å
88N97.6Very high96.1Very high69 Ų6953.2 Ų53.237%0.36928%0.278SS..EExtended strand (participates in β ladder)trans-76119.7175.4-167.7-16.7000110.5L82 G90L82-N88 HydrophobicContact CD2-CB 4.01Å; N88-G90 PolarHBondContact OD1-N 3.17Å
89Q96.5Very high96.1Very high79 Ų7957.2 Ų57.237%0.36930%0.296SS..EExtended strand (participates in β ladder)trans-99.97.3178-56.5-170.3-32.700113.4R60 E87R60-Q89 WeakPolarHBondContact O-CA 3.27Å; R60-Q89 VanDerWaalsContact O-CB 3.31Å; R60-Q89 WeakPolarHBondContact O-CB 3.44Å; R60-Q89 PolarHBondContact O-N 2.83Å; E87-Q89 PolarHBondContact O-N 2.84Å
90G95.1Very high96.2Very high29 Ų2955.1 Ų55.130%0.29930%0.302SS..EExtended strand (participates in β ladder)trans95.2-174.117600000114.7Y59 R60 N88Y59-G90 WeakPolarHBondContact CA-O 3.26Å; R60-G90 PolarHBondContact N-O 3.23Å; N88-G90 PolarHBondContact OD1-N 3.17Å
91I95.6Very high96.2Very high64 Ų6454.4 Ų54.433%0.32830%0.296SS..EExtended strand (participates in β ladder)trans-86.1125.8-175.7-59.4170.8000109.5P57 V58 Y59 G93 Y94P57-I91 HydrophobicContact CB-CD1 3.74Å; P57-I91 HydrophobicContact CB-CG1 3.92Å; P57-I91 HydrophobicContact CB-CG2 3.98Å; V58-I91 WeakPolarHBondContact O-CA 3.49Å; Y59-I91 HydrophobicContact CD1-CG1 3.8Å; Y59-I91 HydrophobicContact CE1-CD1 4.04Å; Y59-I91 HydrophobicContact CE1-CG1 3.53Å; I91-G93 VanDerWaalsContact CG2-O 3.3Å; I91-G93 WeakPolarHBondContact CG2-O 3.27Å; I91-Y94 HydrophobicContact CG2-CD2 4.49Å; I91-Y94 HydrophobicContact CG2-CE2 3.95Å
92V95.8Very high96.2Very high29 Ų2955.8 Ų55.818%0.17631%0.306CS..EExtended strand (participates in β ladder)trans-100.8-15.6177.6-63.70000113.5W41 V58 R60 Y71W41-V92 HydrophobicContact CH2-CB 4.12Å; W41-V92 HydrophobicContact CH2-CG2 3.54Å; W41-V92 HydrophobicContact CZ2-CB 3.93Å; W41-V92 HydrophobicContact CZ2-CG2 3.8Å; W41-V92 HydrophobicContact CZ3-CG2 4Å; W41-V92 PolarHBondContact NE1-O 2.98Å; V58-V92 HydrophobicContact CB-CG2 4.09Å; V58-V92 HydrophobicContact CG1-CG2 3.79Å; V58-V92 WeakPolarHBondContact O-CG2 3.37Å; V58-V92 PolarHBondContact O-N 2.64Å; R60-V92 HydrophobicContact CB-CG1 3.68Å; Y71-V92 HydrophobicContact CD1-CG2 3.98Å; Y71-V92 HydrophobicContact CE1-CG2 4.15Å
93G96.4Very high96.2Very high0 Ų061.2 Ų61.20%033%0.33CS..EExtended strand (participates in β ladder)trans174.7-169.8179.500000111.5V42 V58 I91V42-G93 CarbonylContact O-C 3.58Å; V42-G93 WeakPolarHBondContact O-CA 3.02Å; V58-G93 PolarHBondContact N-O 3.11Å; I91-G93 VanDerWaalsContact CG2-O 3.3Å; I91-G93 WeakPolarHBondContact CG2-O 3.27Å
94Y97.9Very high96.3Very high25 Ų2554.5 Ų54.510%0.09830%0.299CS..EExtended strand (participates in β ladder)trans-130.8132.8177.8-68.3-99.9000109.9W41 V42 K47 L55 K56 P57 I91W41-Y94 WeakPolarHBondContact CB-O 3.32Å; V42-Y94 PolarHBondContact N-O 2.79Å; V42-Y94 PolarHBondContact O-N 3.16Å; K47-Y94 HydrophobicContact CB-CD2 4.03Å; K47-Y94 HydrophobicContact CB-CE1 4.47Å; K47-Y94 HydrophobicContact CB-CE2 3.88Å; K47-Y94 HydrophobicContact CB-CG 4.43Å; K47-Y94 HydrophobicContact CD-CE1 3.8Å; K47-Y94 HydrophobicContact CD-CE2 4.3Å; K47-Y94 HydrophobicContact CG-CD1 3.96Å; K47-Y94 HydrophobicContact CG-CD2 4.24Å; K47-Y94 HydrophobicContact CG-CE1 3.71Å; K47-Y94 HydrophobicContact CG-CE2 4.02Å; K47-Y94 HydrophobicContact CG-CG 4.23Å; L55-Y94 HydrophobicContact CB-CD1 4.47Å; K56-Y94 VanDerWaalsContact O-CA 3.28Å; K56-Y94 WeakPolarHBondContact O-CA 3.33Å; P57-Y94 HydrophobicContact CB-CD1 4.19Å; P57-Y94 HydrophobicContact CB-CE1 3.78Å; P57-Y94 HydrophobicContact CG-CE1 4.49Å; I91-Y94 HydrophobicContact CG2-CD2 4.49Å; I91-Y94 HydrophobicContact CG2-CE2 3.95Å
95A97.8Very high96.5Very high0 Ų050.2 Ų50.20%029%0.288CS..EExtended strand (participates in β ladder)trans-131-176.8-177.400000109.5L55 K56 V58 I73 F143 A144 I145L55-A95 WeakPolarHBondContact CA-O 3.3Å; K56-A95 PolarHBondContact N-O 3.39Å; K56-A95 PolarHBondContact O-N 3.29Å; V58-A95 HydrophobicContact CG2-CB 3.46Å; V58-A95 VanDerWaalsContact CG2-CB 3.46Å; I73-A95 HydrophobicContact CG2-CB 4.45Å; A95-F143 HydrophobicContact CB-CB 4.23Å; A95-F143 HydrophobicContact CB-CD2 3.65Å; A95-F143 HydrophobicContact CB-CE2 4.33Å; A95-F143 HydrophobicContact CB-CG 4.18Å; A95-A144 WeakPolarHBondContact CB-O 3.48Å; A95-I145 HydrophobicContact CB-CG2 3.85Å
96V97.8Very high96.7Very high0 Ų049.5 Ų49.50%028%0.276CS..BIsolated β-bridgetrans-117.5161.8172-65.80000110.1Q54 L55 D98 L101 C102 A104 F143 A144 W146Q54-V96 HydrophobicContact CB-CG1 4.46Å; L55-V96 HydrophobicContact CD2-CG1 4.44Å; V96-D98 VanDerWaalsContact C-N 3.3Å; V96-D98 VanDerWaalsContact CG2-O 3.31Å; V96-D98 WeakPolarHBondContact CG2-O 3.39Å; V96-D98 PolarHBondContact O-N 2.78Å; V96-L101 HydrophobicContact CB-CB 3.84Å; V96-L101 HydrophobicContact CB-CD1 4.4Å; V96-L101 HydrophobicContact CG1-CB 4.17Å; V96-L101 HydrophobicContact CG2-CB 3.91Å; V96-C102 HydrophobicContact CG1-CB 4.22Å; V96-A104 HydrophobicContact CG2-CB 3.28Å; V96-F143 WeakPolarHBondContact O-CB 3.48Å; V96-A144 HydrophobicContact CG2-CB 4.08Å; V96-A144 WeakPolarHBondContact CG2-O 3.45Å; V96-A144 PolarHBondContact N-O 3.28Å; V96-A144 VanDerWaalsContact N-O 3.08Å; V96-A144 PolarHBondContact O-N 3.3Å; V96-W146 HydrophobicContact CG1-CH2 4.13Å; V96-W146 HydrophobicContact CG1-CZ2 4.31Å
97S96.5Very high96.7Very high48 Ų4850 Ų5034%0.33628%0.28SS..SBendtrans-69.6-26.5-175.647.60000114.8I73 L101I73-S97 VanDerWaalsContact CD1-CA 3.49Å; S97-L101 VanDerWaalsContact OG-CD1 3.3Å; S97-L101 WeakPolarHBondContact OG-CD1 3.37Å
98D95.5Very high96.7Very high91 Ų9145.8 Ų45.849%0.48726%0.26SS..SBendtrans-151.4160.4-173.9-148.3-18.1000111.2V96 L101 A144V96-D98 VanDerWaalsContact C-N 3.3Å; V96-D98 VanDerWaalsContact CG2-O 3.31Å; V96-D98 WeakPolarHBondContact CG2-O 3.39Å; V96-D98 PolarHBondContact O-N 2.78Å; D98-L101 HydrophobicContact CB-CD1 4.16Å; D98-L101 HydrophobicContact CB-CG 4.4Å; D98-L101 PolarHBondContact O-N 3.47Å; D98-A144 VanDerWaalsContact C-CB 3.42Å
99E96.3Very high96.6Very high106 Ų10644 Ų4450%0.49525%0.249SC..THydrogen-bonded Turntrans-60.2148.3173.8-171.6173.1-163.100111L101 A144E99-L101 PolarHBondContact O-N 3.48Å; E99-A144 HydrophobicContact CB-CB 4.4Å
100G96.1Very high96.6Very high55 Ų5541 Ų4157%0.56724%0.235SC*.THydrogen-bonded Turntrans85.5-26.8-177.100000114C102 Q103 A104G100-C102 PolarHBondContact O-N 3.01Å; G100-Q103 PolarHBondContact O-N 3.23Å; G100-A104 PolarHBondContact N-O 3.41Å
101L96.6Very high96.6Very high43 Ų4339.7 Ų39.723%0.22522%0.221CC..G310 helixtrans-66.8124.5177.4-55.8-175.6000110V96 S97 D98 E99 Q103 A104V96-L101 HydrophobicContact CB-CB 3.84Å; V96-L101 HydrophobicContact CB-CD1 4.4Å; V96-L101 HydrophobicContact CG1-CB 4.17Å; V96-L101 HydrophobicContact CG2-CB 3.91Å; S97-L101 VanDerWaalsContact OG-CD1 3.3Å; S97-L101 WeakPolarHBondContact OG-CD1 3.37Å; D98-L101 HydrophobicContact CB-CD1 4.16Å; D98-L101 HydrophobicContact CB-CG 4.4Å; D98-L101 PolarHBondContact O-N 3.47Å; E99-L101 PolarHBondContact O-N 3.48Å; L101-Q103 PolarHBondContact O-N 3.02Å; L101-Q103 VanDerWaalsContact O-N 3.1Å; L101-A104 VanDerWaalsContact O-CB 3.27Å; L101-A104 WeakPolarHBondContact O-CB 3.36Å; L101-A104 PolarHBondContact O-N 3.25Å
102C95.4Very high96.5Very high41 Ų4137.1 Ų37.128%0.27721%0.21SC..G310 helixtrans5135.3-177.1-54.90000113.7C52 V96 G100 A104 W146C52-C102 VanDerWaalsContact CA-SG 3.6Å; C52-C102 HydrophobicContact CB-CB 3.61Å; C52-C102 WeakPolarHBondContact CB-SG 3.26Å; C52-C102 WeakPolarHBondContact SG-CB 3.35Å; C52-C102 CovalentContact SG-SG 2Å; C52-C102 PolarHBondContact SG-SG 3.34Å; V96-C102 HydrophobicContact CG1-CB 4.22Å; G100-C102 PolarHBondContact O-N 3.01Å; C102-A104 PolarHBondContact O-N 3.4Å; C102-W146 HydrophobicContact CB-CZ2 4.1Å; C102-W146 PolarHBondContact O-NE1 2.84Å
103Q95.6Very high96.3Very high167 Ų16737.9 Ų37.978%0.7821%0.212SC*.G310 helixtrans62.417.8-178.4-50.9176.8-38.400114.4G100 L101 N105G100-Q103 PolarHBondContact O-N 3.23Å; L101-Q103 PolarHBondContact O-N 3.02Å; L101-Q103 VanDerWaalsContact O-N 3.1Å; Q103-N105 PolarHBondContact O-N 3.35Å
104A97.5Very high96Very high1 Ų146.8 Ų46.81%0.00825%0.251CS..  trans-61.6132167.100000109.1V96 G100 L101 C102 A144 I145 W146V96-A104 HydrophobicContact CG2-CB 3.28Å; G100-A104 PolarHBondContact N-O 3.41Å; L101-A104 VanDerWaalsContact O-CB 3.27Å; L101-A104 WeakPolarHBondContact O-CB 3.36Å; L101-A104 PolarHBondContact O-N 3.25Å; C102-A104 PolarHBondContact O-N 3.4Å; A104-A144 HydrophobicContact CB-CB 4.01Å; A104-I145 CarbonylContact C-O 3.56Å; A104-I145 WeakPolarHBondContact CA-O 3.2Å; A104-I145 WeakPolarHBondContact CB-O 3.5Å; A104-W146 HydrophobicContact CB-CD2 4.48Å; A104-W146 HydrophobicContact CB-CZ2 4.36Å
105N97.5Very high95.5Very high74 Ų7450.6 Ų50.640%0.39628%0.277SS..  trans-136.110-170.864.7-3.6000112.1Q103 I145 S147Q103-N105 PolarHBondContact O-N 3.35Å; N105-I145 PolarHBondContact N-O 3.41Å; N105-S147 PolarHBondContact ND2-OG 2.96Å; N105-S147 WeakPolarHBondContact OD1-CB 3.39Å; N105-S147 PolarHBondContact OD1-N 3.26Å; N105-S147 PolarHBondContact OD1-OG 3.24Å
106T97.9Very high95.2Very high23 Ų2351.4 Ų51.414%0.14128%0.284CS..EExtended strand (participates in β ladder)trans-127.988.2-177-56.90000108.4V38 I108 P122 A144 I145 S147V38-T106 WeakPolarHBondContact O-CG2 3.48Å; T106-I108 HydrophobicContact CG2-CD1 4.42Å; T106-P122 HydrophobicContact CG2-CB 4.24Å; T106-A144 WeakPolarHBondContact O-CA 3.49Å; T106-I145 WeakPolarHBondContact CB-O 3.28Å; T106-I145 HydrophobicContact CG2-CD1 4.49Å; T106-I145 HydrophobicContact CG2-CG1 3.97Å; T106-I145 PolarHBondContact N-O 3.15Å; T106-I145 WeakPolarHBondContact O-CG1 3.45Å; T106-I145 PolarHBondContact O-N 3.25Å; T106-S147 WeakPolarHBondContact OG1-CA 3.45Å; T106-S147 PolarHBondContact OG1-N 3.2Å
107P97.8Very high94.9Very high17 Ų1751.5 Ų51.511%0.1128%0.284CS..EExtended strand (participates in β ladder)trans-67.6139174.826.5-32.8000110.8F109 V141P107-F109 HydrophobicContact CB-CE2 4.22Å; P107-F109 HydrophobicContact CB-CZ 4.1Å; P107-F109 HydrophobicContact CG-CE2 3.83Å; P107-F109 HydrophobicContact CG-CZ 3.7Å; P107-V141 HydrophobicContact CB-CG1 3.9Å; P107-V141 HydrophobicContact CB-CG2 4.12Å
108I97.7Very high94.8Very high0 Ų049.7 Ų49.70%027%0.271CS..EExtended strand (participates in β ladder)trans-101.8112.3173.5-56.4-52.6000108.1V38 T106 Q120 P122 V141 S142 F143 I145V38-I108 HydrophobicContact CG1-CD1 3.44Å; V38-I108 VanDerWaalsContact CG1-CD1 3.44Å; T106-I108 HydrophobicContact CG2-CD1 4.42Å; I108-Q120 HydrophobicContact CG2-CB 3.75Å; I108-Q120 HydrophobicContact CG2-CG 4.44Å; I108-P122 HydrophobicContact CD1-CB 4.33Å; I108-V141 CarbonylContact O-C 3.53Å; I108-V141 WeakPolarHBondContact O-CA 3.37Å; I108-S142 PolarHBondContact O-N 3.27Å; I108-F143 HydrophobicContact CB-CD2 4.25Å; I108-F143 HydrophobicContact CB-CE2 4.04Å; I108-F143 HydrophobicContact CB-CZ 4.22Å; I108-F143 WeakPolarHBondContact CB-O 3.02Å; I108-F143 HydrophobicContact CG1-CD2 3.94Å; I108-F143 HydrophobicContact CG1-CE2 3.57Å; I108-F143 HydrophobicContact CG1-CZ 4.12Å; I108-F143 HydrophobicContact CG2-CE1 4.5Å; I108-F143 HydrophobicContact CG2-CE2 4.44Å; I108-F143 HydrophobicContact CG2-CZ 4.16Å; I108-F143 PolarHBondContact N-O 3.1Å; I108-I145 HydrophobicContact CD1-CD1 3.84Å; I108-I145 HydrophobicContact CD1-CG1 4.06Å; I108-I145 HydrophobicContact CG1-CD1 4.24Å; I108-I145 HydrophobicContact CG1-CG1 4.23Å
109F96Very high94.7Very high31 Ų3145.4 Ų45.414%0.13625%0.248CC..EExtended strand (participates in β ladder)trans-85.8142.2-177.4-60.3-84.7000110.7P107 F111 Q120 A121 Y126 Y138 G140 V141P107-F109 HydrophobicContact CB-CE2 4.22Å; P107-F109 HydrophobicContact CB-CZ 4.1Å; P107-F109 HydrophobicContact CG-CE2 3.83Å; P107-F109 HydrophobicContact CG-CZ 3.7Å; F109-F111 HydrophobicContact CB-CE2 3.7Å; F109-F111 HydrophobicContact CB-CZ 4.31Å; F109-Q120 VanDerWaalsContact O-CA 3.29Å; F109-Q120 WeakPolarHBondContact O-CA 3.15Å; F109-A121 PolarHBondContact N-O 2.74Å; F109-A121 PolarHBondContact O-N 2.92Å; F109-A121 VanDerWaalsContact O-N 3.11Å; F109-Y126 HydrophobicContact CB-CD2 3.94Å; F109-Y126 HydrophobicContact CD1-CE2 4.38Å; F109-Y126 AromaticContact CD2-CD2 3.73Å; F109-Y126 HydrophobicContact CD2-CD2 3.73Å; F109-Y126 AromaticContact CD2-CE2 3.95Å; F109-Y126 HydrophobicContact CD2-CE2 3.95Å; F109-Y126 HydrophobicContact CE2-CD2 4.39Å; F109-Y126 HydrophobicContact CE2-CE2 4.18Å; F109-Y126 AromaticContact CG-CD2 3.8Å; F109-Y126 HydrophobicContact CG-CD2 3.8Å; F109-Y126 HydrophobicContact CG-CE2 4.06Å; F109-Y126 HydrophobicContact CZ-CE2 4.47Å; F109-Y138 HydrophobicContact CB-CE2 4.2Å; F109-Y138 AromaticContact CD1-CE2 3.79Å; F109-Y138 HydrophobicContact CD1-CE2 3.79Å; F109-Y138 HydrophobicContact CG-CE2 4.46Å; F109-G140 WeakPolarHBondContact CA-O 3.31Å; F109-V141 HydrophobicContact CD1-CG2 3.99Å; F109-V141 HydrophobicContact CE1-CG2 3.93Å
110E95.6Very high94.7Very high18 Ų1840.6 Ų40.68%0.08423%0.226CC..EExtended strand (participates in β ladder)trans-106.1134.1-177.7-160.9168.3115.300112Y70 V118 Q120 Q139 G140 S142Y70-E110 HydrophobicContact CE2-CG 4.4Å; Y70-E110 VanDerWaalsContact CE2-OE2 3.26Å; Y70-E110 WeakPolarHBondContact CE2-OE2 3.45Å; Y70-E110 PolarHBondContact OH-OE1 3.29Å; Y70-E110 PolarHBondContact OH-OE2 2.69Å; E110-V118 HydrophobicContact CG-CG1 3.5Å; E110-Q120 HydrophobicContact CG-CG 4.22Å; E110-Q139 HydrophobicContact CB-CB 4.03Å; E110-Q139 HydrophobicContact CG-CB 4.12Å; E110-Q139 PolarHBondContact O-N 3.3Å; E110-Q139 PolarHBondContact OE1-OE1 3.31Å; E110-G140 PolarHBondContact N-O 2.97Å; E110-S142 VanDerWaalsContact CB-OG 3.3Å; E110-S142 WeakPolarHBondContact CB-OG 3.46Å; E110-S142 PolarHBondContact OE2-OG 2.72Å
111F94.9Very high94.7Very high0 Ų038 Ų380%020%0.199CC..EExtended strand (participates in β ladder)trans-130.3116.8175.3-62.3-93.5000109.7F109 V118 V119 Y126 Y129 W130 Y136 I137 Y138F109-F111 HydrophobicContact CB-CE2 3.7Å; F109-F111 HydrophobicContact CB-CZ 4.31Å; F111-V118 CarbonylContact O-C 3.52Å; F111-V118 WeakPolarHBondContact O-CA 3.25Å; F111-V119 PolarHBondContact N-O 2.97Å; F111-V119 PolarHBondContact O-N 3.19Å; F111-Y126 AromaticContact CE2-CD2 3.86Å; F111-Y126 HydrophobicContact CE2-CD2 3.86Å; F111-Y126 HydrophobicContact CE2-CG 4.21Å; F111-Y126 AromaticContact CZ-CD2 3.59Å; F111-Y126 HydrophobicContact CZ-CD2 3.59Å; F111-Y126 HydrophobicContact CZ-CE2 4.48Å; F111-Y126 HydrophobicContact CZ-CG 4.1Å; F111-Y129 WeakPolarHBondContact CD1-O 3.49Å; F111-Y129 WeakPolarHBondContact CE1-O 3.42Å; F111-W130 HydrophobicContact CE1-CE3 4.13Å; F111-W130 HydrophobicContact CZ-CE3 4.17Å; F111-Y136 HydrophobicContact CB-CD1 4.01Å; F111-Y136 WeakPolarHBondContact O-CD1 3.46Å; F111-I137 CarbonylContact C-O 3.56Å; F111-I137 WeakPolarHBondContact CA-O 3.49Å; F111-Y138 HydrophobicContact CD1-CD2 4.42Å; F111-Y138 AromaticContact CE1-CD2 3.9Å; F111-Y138 HydrophobicContact CE1-CD2 3.9Å; F111-Y138 HydrophobicContact CE1-CG 4.41Å; F111-Y138 AromaticContact CZ-CD2 3.94Å; F111-Y138 HydrophobicContact CZ-CD2 3.94Å
112G93.3Very high94.6Very high10 Ų1036 Ų3610%0.10319%0.189CC..EExtended strand (participates in β ladder)trans-97.3140.2-178.500000112.6Y136 I137 Q139G112-Y136 WeakPolarHBondContact O-CA 3.47Å; G112-I137 PolarHBondContact N-O 3.16Å; G112-I137 PolarHBondContact O-N 2.99Å; G112-Q139 VanDerWaalsContact N-OE1 3.12Å
113H92.3Very high94.5Very high45 Ų4537.1 Ų37.121%0.20820%0.197CC..EExtended strand (participates in β ladder)trans-127.4135.3172.9-166-84.4000110T115 A116 G117 N134 G135 Y136H113-T115 VanDerWaalsContact C-N 3.28Å; H113-T115 PolarHBondContact CE1-OG1 2.8Å; H113-T115 PolarHBondContact ND1-N 3.06Å; H113-T115 PolarHBondContact ND1-OG1 3.41Å; H113-T115 VanDerWaalsContact ND1-OG1 3.13Å; H113-T115 PolarHBondContact O-N 2.92Å; H113-A116 HydrophobicContact CB-CB 3.88Å; H113-A116 WeakPolarHBondContact ND1-CB 3.25Å; H113-A116 PolarHBondContact ND1-N 3.07Å; H113-A116 VanDerWaalsContact ND1-N 3.15Å; H113-G117 PolarHBondContact N-O 3.46Å; H113-G117 PolarHBondContact O-N 2.84Å; H113-N134 PolarHBondContact CD2-O 3.47Å; H113-N134 VanDerWaalsContact CD2-O 3.28Å; H113-N134 PolarHBondContact NE2-O 2.81Å; H113-G135 PolarHBondContact CD2-O 3.03Å; H113-G135 VanDerWaalsContact CD2-O 3.25Å; H113-Y136 HydrophobicContact CB-CD1 3.7Å; H113-Y136 HydrophobicContact CB-CD2 4.43Å; H113-Y136 HydrophobicContact CB-CE1 3.5Å; H113-Y136 HydrophobicContact CB-CE2 4.29Å; H113-Y136 HydrophobicContact CB-CG 4.16Å; H113-Y136 AromaticContact CD2-CD2 3.91Å
114K89.1Confident94.4Very high188 Ų18834.6 Ų34.682%0.81719%0.193SC*.THydrogen-bonded Turntrans-55.8-42.6-174.9-68.3-173.4178.3-1790112.6
115T88.9Confident94.1Very high104 Ų10435.8 Ų35.864%0.63820%0.198SC*.THydrogen-bonded Turntrans-108.1-19.9-175.756.70000114.7H113H113-T115 VanDerWaalsContact C-N 3.28Å; H113-T115 PolarHBondContact CE1-OG1 2.8Å; H113-T115 PolarHBondContact ND1-N 3.06Å; H113-T115 PolarHBondContact ND1-OG1 3.41Å; H113-T115 VanDerWaalsContact ND1-OG1 3.13Å; H113-T115 PolarHBondContact O-N 2.92Å
116A90.2Very high93.8Very high18 Ų1835 Ų3515%0.14919%0.19CC..THydrogen-bonded Turntrans-1074-171.900000112.6H113 Y136H113-A116 HydrophobicContact CB-CB 3.88Å; H113-A116 WeakPolarHBondContact ND1-CB 3.25Å; H113-A116 PolarHBondContact ND1-N 3.07Å; H113-A116 VanDerWaalsContact ND1-N 3.15Å; A116-Y136 WeakPolarHBondContact CB-OH 3.4Å
117G92.2Very high93.3Very high1 Ų135.7 Ų35.71%0.0120%0.202CC..EExtended strand (participates in β ladder)trans80.8-132.6177.100000112.2H113H113-G117 PolarHBondContact N-O 3.46Å; H113-G117 PolarHBondContact O-N 2.84Å
118V94Very high92.7Very high11 Ų1138.6 Ų38.67%0.06722%0.221CC..EExtended strand (participates in β ladder)trans-129.9141.4-169.1-1800000109.5S68 Y70 E110 F111 Q120S68-V118 PolarHBondContact OG-N 2.84Å; S68-V118 PolarHBondContact OG-O 3.23Å; Y70-V118 HydrophobicContact CD1-CG2 4.05Å; Y70-V118 HydrophobicContact CD2-CB 4.06Å; Y70-V118 HydrophobicContact CD2-CG1 3.85Å; Y70-V118 HydrophobicContact CD2-CG2 4.21Å; Y70-V118 HydrophobicContact CE1-CG2 4.08Å; Y70-V118 HydrophobicContact CE2-CB 4.4Å; Y70-V118 HydrophobicContact CE2-CG1 3.87Å; Y70-V118 HydrophobicContact CE2-CG2 4.28Å; Y70-V118 HydrophobicContact CG-CB 4.21Å; Y70-V118 HydrophobicContact CG-CG1 4.49Å; Y70-V118 HydrophobicContact CG-CG2 4.11Å; E110-V118 HydrophobicContact CG-CG1 3.5Å; F111-V118 CarbonylContact O-C 3.52Å; F111-V118 WeakPolarHBondContact O-CA 3.25Å; V118-Q120 HydrophobicContact CG1-CG 3.99Å
119V94.4Very high92.3Very high0 Ų039.6 Ų39.60%023%0.225CC..EExtended strand (participates in β ladder)trans-115.3133.1166.9176.70000109.1N15 F111 Y129 Y136N15-V119 HydrophobicContact CB-CG2 4.33Å; N15-V119 WeakPolarHBondContact ND2-CG2 3.35Å; F111-V119 PolarHBondContact N-O 2.97Å; F111-V119 PolarHBondContact O-N 3.19Å; V119-Y129 HydrophobicContact CB-CD1 4.36Å; V119-Y129 HydrophobicContact CB-CE1 4.22Å; V119-Y129 HydrophobicContact CG1-CD1 4.39Å; V119-Y129 HydrophobicContact CG1-CD2 3.97Å; V119-Y129 HydrophobicContact CG1-CE1 4.07Å; V119-Y129 HydrophobicContact CG1-CE2 3.63Å; V119-Y129 HydrophobicContact CG1-CG 4.35Å; V119-Y129 HydrophobicContact CG2-CD1 4.35Å; V119-Y129 HydrophobicContact CG2-CE1 3.86Å; V119-Y136 HydrophobicContact CB-CE1 4.16Å; V119-Y136 HydrophobicContact CG2-CD1 4.27Å; V119-Y136 HydrophobicContact CG2-CE1 3.5Å; V119-Y136 VanDerWaalsContact CG2-CE1 3.5Å
120Q95.9Very high91.6Very high6 Ų644.2 Ų44.23%0.02824%0.241CC..EExtended strand (participates in β ladder)trans-123.8123.6177.8-74.5168.4-65.800109.8L17 Y71 I108 F109 E110 V118 S142L17-Q120 HydrophobicContact CD1-CB 4.28Å; Y71-Q120 VanDerWaalsContact CD2-OE1 3.32Å; Y71-Q120 PolarHBondContact O-NE2 2.84Å; I108-Q120 HydrophobicContact CG2-CB 3.75Å; I108-Q120 HydrophobicContact CG2-CG 4.44Å; F109-Q120 VanDerWaalsContact O-CA 3.29Å; F109-Q120 WeakPolarHBondContact O-CA 3.15Å; E110-Q120 HydrophobicContact CG-CG 4.22Å; V118-Q120 HydrophobicContact CG1-CG 3.99Å; Q120-S142 PolarHBondContact NE2-OG 3.24Å
121A95.1Very high90.6Very high0 Ų051.9 Ų51.90%027%0.27CS..EExtended strand (participates in β ladder)trans-152.1151.4-173.100000111.6F109 Q125F109-A121 PolarHBondContact N-O 2.74Å; F109-A121 PolarHBondContact O-N 2.92Å; F109-A121 VanDerWaalsContact O-N 3.11Å; A121-Q125 HydrophobicContact CB-CB 4.16Å
122P95.5Very high89.3Confident2 Ų256.6 Ų56.61%0.01330%0.295CS..  trans-72169.1169.235-38.6000110.7V38 T106 I108 T124 Q125 Y126V38-P122 HydrophobicContact CB-CG 4.45Å; V38-P122 HydrophobicContact CG1-CG 4.26Å; V38-P122 HydrophobicContact CG2-CG 4.33Å; T106-P122 HydrophobicContact CG2-CB 4.24Å; I108-P122 HydrophobicContact CD1-CB 4.33Å; P122-T124 WeakPolarHBondContact CG-OG1 3.48Å; P122-T124 PolarHBondContact O-N 3.16Å; P122-T124 VanDerWaalsContact O-N 3.08Å; P122-Q125 HydrophobicContact CG-CB 4.15Å; P122-Q125 HydrophobicContact CG-CG 4.02Å; P122-Q125 PolarHBondContact O-N 3.38Å; P122-Y126 PolarHBondContact O-N 2.72Å
123S93.1Very high88.2Confident64 Ų6460.8 Ų60.845%0.44832%0.323SS..THydrogen-bonded Turntrans-56.1-27.1177.755.10000113.6Q125 Y126S123-Q125 PolarHBondContact O-N 2.92Å; S123-Y126 WeakPolarHBondContact O-CD1 3.29Å; S123-Y126 WeakPolarHBondContact O-CE1 3.3Å
124T92.9Very high87.6Confident114 Ų11462.8 Ų62.870%0.69934%0.335SS*.THydrogen-bonded Turntrans-73.1-14177.754.10000113.8P122P122-T124 WeakPolarHBondContact CG-OG1 3.48Å; P122-T124 PolarHBondContact O-N 3.16Å; P122-T124 VanDerWaalsContact O-N 3.08Å
125Q92.4Very high87.5Confident25 Ų2555.2 Ų55.212%0.11731%0.31CS..THydrogen-bonded Turntrans-130.6-9-171-61.1178.614.500114.2R6 I37 A121 P122 S123R6-Q125 VanDerWaalsContact CD-OE1 3.23Å; I37-Q125 PolarHBondContact O-NE2 2.91Å; A121-Q125 HydrophobicContact CB-CB 4.16Å; P122-Q125 HydrophobicContact CG-CB 4.15Å; P122-Q125 HydrophobicContact CG-CG 4.02Å; P122-Q125 PolarHBondContact O-N 3.38Å; S123-Q125 PolarHBondContact O-N 2.92Å
126Y90.4Very high87.7Confident58 Ų5851.2 Ų51.223%0.22728%0.283CS..  trans-80.6-8.5-17775-16.2000115.9F109 F111 P122 S123 P128 Y129 W130F109-Y126 HydrophobicContact CB-CD2 3.94Å; F109-Y126 HydrophobicContact CD1-CE2 4.38Å; F109-Y126 AromaticContact CD2-CD2 3.73Å; F109-Y126 HydrophobicContact CD2-CD2 3.73Å; F109-Y126 AromaticContact CD2-CE2 3.95Å; F109-Y126 HydrophobicContact CD2-CE2 3.95Å; F109-Y126 HydrophobicContact CE2-CD2 4.39Å; F109-Y126 HydrophobicContact CE2-CE2 4.18Å; F109-Y126 AromaticContact CG-CD2 3.8Å; F109-Y126 HydrophobicContact CG-CD2 3.8Å; F109-Y126 HydrophobicContact CG-CE2 4.06Å; F109-Y126 HydrophobicContact CZ-CE2 4.47Å; F111-Y126 AromaticContact CE2-CD2 3.86Å; F111-Y126 HydrophobicContact CE2-CD2 3.86Å; F111-Y126 HydrophobicContact CE2-CG 4.21Å; F111-Y126 AromaticContact CZ-CD2 3.59Å; F111-Y126 HydrophobicContact CZ-CD2 3.59Å; F111-Y126 HydrophobicContact CZ-CE2 4.48Å; F111-Y126 HydrophobicContact CZ-CG 4.1Å; P122-Y126 PolarHBondContact O-N 2.72Å; S123-Y126 WeakPolarHBondContact O-CD1 3.29Å; S123-Y126 WeakPolarHBondContact O-CE1 3.3Å; Y126-P128 VanDerWaalsContact C-CD 3.45Å; Y126-P128 VanDerWaalsContact C-N 3.34Å; Y126-P128 VanDerWaalsContact O-N 3.17Å; Y126-Y129 PolarHBondContact O-N 3.39Å; Y126-W130 HydrophobicContact CE2-CE3 4.18Å; Y126-W130 HydrophobicContact CE2-CZ3 4.37Å; Y126-W130 PolarHBondContact O-N 3.45Å
127G87.8Confident87.8Confident37 Ų3754.7 Ų54.738%0.38130%0.299SS..Hα-helixtrans-50.9-42.6-171.700000115Y129 W130G127-Y129 PolarHBondContact O-N 3.35Å; G127-W130 PolarHBondContact O-N 3.09Å
128P86Confident87.9Confident78 Ų7859.6 Ų59.651%0.50632%0.318SS..Hα-helixtrans-63.2-17.3176.3-25.436.1000115.8Y126 N134Y126-P128 VanDerWaalsContact C-CD 3.45Å; Y126-P128 VanDerWaalsContact C-N 3.34Å; Y126-P128 VanDerWaalsContact O-N 3.17Å; P128-N134 PolarHBondContact O-ND2 3.1Å; P128-N134 VanDerWaalsContact O-ND2 3.14Å
129Y87.7Confident87.9Confident22 Ų2264.3 Ų64.39%0.08634%0.339CS..Hα-helixtrans-104.3-11.6-178.2-50.5-77000112.7R6 F111 V119 Y126 G127 W131 Y136R6-Y129 PolarHBondContact NH2-OH 3.05Å; F111-Y129 WeakPolarHBondContact CD1-O 3.49Å; F111-Y129 WeakPolarHBondContact CE1-O 3.42Å; V119-Y129 HydrophobicContact CB-CD1 4.36Å; V119-Y129 HydrophobicContact CB-CE1 4.22Å; V119-Y129 HydrophobicContact CG1-CD1 4.39Å; V119-Y129 HydrophobicContact CG1-CD2 3.97Å; V119-Y129 HydrophobicContact CG1-CE1 4.07Å; V119-Y129 HydrophobicContact CG1-CE2 3.63Å; V119-Y129 HydrophobicContact CG1-CG 4.35Å; V119-Y129 HydrophobicContact CG2-CD1 4.35Å; V119-Y129 HydrophobicContact CG2-CE1 3.86Å; Y126-Y129 PolarHBondContact O-N 3.39Å; G127-Y129 PolarHBondContact O-N 3.35Å; Y129-W131 VanDerWaalsContact C-N 3.31Å; Y129-W131 PolarHBondContact O-N 2.99Å; Y129-Y136 HydrophobicContact CD1-CD1 4.28Å; Y129-Y136 AromaticContact CD1-CD2 3.82Å; Y129-Y136 HydrophobicContact CD1-CD2 3.82Å; Y129-Y136 HydrophobicContact CD1-CE2 4.16Å; Y129-Y136 AromaticContact CD1-CG 3.88Å; Y129-Y136 HydrophobicContact CD1-CG 3.88Å; Y129-Y136 HydrophobicContact CE1-CD2 4.29Å; Y129-Y136 HydrophobicContact CE1-CE2 4.17Å
130W81.9Confident87.9Confident128 Ų12865.1 Ų65.149%0.48535%0.348SS..Hα-helixtrans-64.4-39.7178.2-171.4-106.3000111.8F111 Y126 G127 N132 Y138F111-W130 HydrophobicContact CE1-CE3 4.13Å; F111-W130 HydrophobicContact CZ-CE3 4.17Å; Y126-W130 HydrophobicContact CE2-CE3 4.18Å; Y126-W130 HydrophobicContact CE2-CZ3 4.37Å; Y126-W130 PolarHBondContact O-N 3.45Å; G127-W130 PolarHBondContact O-N 3.09Å; W130-N132 PolarHBondContact O-N 2.84Å; W130-Y138 HydrophobicContact CZ3-CD2 4.4Å; W130-Y138 HydrophobicContact CZ3-CG 4.34Å
131W75Confident87.8Confident179 Ų17967.5 Ų67.568%0.67836%0.362SS*.SBendtrans-81.8117.2173.3-53.6109.6000108.4Y129 S133Y129-W131 VanDerWaalsContact C-N 3.31Å; Y129-W131 PolarHBondContact O-N 2.99Å; W131-S133 PolarHBondContact O-N 3.29Å; W131-S133 PolarHBondContact O-OG 3.46Å
132N66.7Low87.9Confident99 Ų9968.4 Ų68.453%0.52937%0.369SS..G310 helixtrans-64.912.9176.2-169.425.7000113.3W130 N134 G135 Y136W130-N132 PolarHBondContact O-N 2.84Å; N132-N134 PolarHBondContact O-N 3.21Å; N132-G135 PolarHBondContact O-N 3.48Å; N132-G135 VanDerWaalsContact O-N 3.1Å; N132-G135 VanDerWaalsContact OD1-C 3.27Å; N132-G135 WeakPolarHBondContact OD1-CA 3.47Å; N132-Y136 PolarHBondContact OD1-O 3.43Å; N132-Y136 VanDerWaalsContact OD1-O 3.07Å
133S71.2Confident88Confident98 Ų9868.3 Ų68.369%0.68537%0.368SS*.G310 helixtrans-59.2-27.7172.757.10000112.2W131W131-S133 PolarHBondContact O-N 3.29Å; W131-S133 PolarHBondContact O-OG 3.46Å
134N78.6Confident88.2Confident86 Ų8665.2 Ų65.246%0.4635%0.347SS..G310 helixtrans-95.88.8179.7-60.9-11.8000112.7H113 P128 N132 Y136H113-N134 PolarHBondContact CD2-O 3.47Å; H113-N134 VanDerWaalsContact CD2-O 3.28Å; H113-N134 PolarHBondContact NE2-O 2.81Å; P128-N134 PolarHBondContact O-ND2 3.1Å; P128-N134 VanDerWaalsContact O-ND2 3.14Å; N132-N134 PolarHBondContact O-N 3.21Å; N134-Y136 HydrophobicContact CB-CD2 4.07Å; N134-Y136 WeakPolarHBondContact O-CD2 3.08Å; N134-Y136 PolarHBondContact O-N 3.31Å
135G88.3Confident88.5Confident30 Ų3059.9 Ų59.931%0.30931%0.314SS..SBendtrans74.4-0.2-17900000115.4H113 N132H113-G135 PolarHBondContact CD2-O 3.03Å; H113-G135 VanDerWaalsContact CD2-O 3.25Å; N132-G135 PolarHBondContact O-N 3.48Å; N132-G135 VanDerWaalsContact O-N 3.1Å; N132-G135 VanDerWaalsContact OD1-C 3.27Å; N132-G135 WeakPolarHBondContact OD1-CA 3.47Å
136Y92.3Very high88.7Confident19 Ų1959.9 Ų59.98%0.07531%0.313CS..  trans-78.7129.8175-80-86000110.1F111 G112 H113 A116 V119 Y129 N132 N134F111-Y136 HydrophobicContact CB-CD1 4.01Å; F111-Y136 WeakPolarHBondContact O-CD1 3.46Å; G112-Y136 WeakPolarHBondContact O-CA 3.47Å; H113-Y136 HydrophobicContact CB-CD1 3.7Å; H113-Y136 HydrophobicContact CB-CD2 4.43Å; H113-Y136 HydrophobicContact CB-CE1 3.5Å; H113-Y136 HydrophobicContact CB-CE2 4.29Å; H113-Y136 HydrophobicContact CB-CG 4.16Å; H113-Y136 AromaticContact CD2-CD2 3.91Å; A116-Y136 WeakPolarHBondContact CB-OH 3.4Å; V119-Y136 HydrophobicContact CB-CE1 4.16Å; V119-Y136 HydrophobicContact CG2-CD1 4.27Å; V119-Y136 HydrophobicContact CG2-CE1 3.5Å; V119-Y136 VanDerWaalsContact CG2-CE1 3.5Å; Y129-Y136 HydrophobicContact CD1-CD1 4.28Å; Y129-Y136 AromaticContact CD1-CD2 3.82Å; Y129-Y136 HydrophobicContact CD1-CD2 3.82Å; Y129-Y136 HydrophobicContact CD1-CE2 4.16Å; Y129-Y136 AromaticContact CD1-CG 3.88Å; Y129-Y136 HydrophobicContact CD1-CG 3.88Å; Y129-Y136 HydrophobicContact CE1-CD2 4.29Å; Y129-Y136 HydrophobicContact CE1-CE2 4.17Å; N132-Y136 PolarHBondContact OD1-O 3.43Å; N132-Y136 VanDerWaalsContact OD1-O 3.07Å; N134-Y136 HydrophobicContact CB-CD2 4.07Å; N134-Y136 WeakPolarHBondContact O-CD2 3.08Å; N134-Y136 PolarHBondContact O-N 3.31Å
137I93.4Very high89Confident92 Ų9260 Ų6047%0.47232%0.322SS..EExtended strand (participates in β ladder)trans-112.3130-178.7-58.1174.6000108.4F111 G112 Q139F111-I137 CarbonylContact C-O 3.56Å; F111-I137 WeakPolarHBondContact CA-O 3.49Å; G112-I137 PolarHBondContact N-O 3.16Å; G112-I137 PolarHBondContact O-N 2.99Å; I137-Q139 PolarHBondContact O-N 3.11Å
138Y94Very high89.1Confident103 Ų10362 Ų6240%0.40434%0.335SS..EExtended strand (participates in β ladder)trans-60.9129.9174177.7-117.2000111.5F109 F111 W130 G140F109-Y138 HydrophobicContact CB-CE2 4.2Å; F109-Y138 AromaticContact CD1-CE2 3.79Å; F109-Y138 HydrophobicContact CD1-CE2 3.79Å; F109-Y138 HydrophobicContact CG-CE2 4.46Å; F111-Y138 HydrophobicContact CD1-CD2 4.42Å; F111-Y138 AromaticContact CE1-CD2 3.9Å; F111-Y138 HydrophobicContact CE1-CD2 3.9Å; F111-Y138 HydrophobicContact CE1-CG 4.41Å; F111-Y138 AromaticContact CZ-CD2 3.94Å; F111-Y138 HydrophobicContact CZ-CD2 3.94Å; W130-Y138 HydrophobicContact CZ3-CD2 4.4Å; W130-Y138 HydrophobicContact CZ3-CG 4.34Å; Y138-G140 VanDerWaalsContact CE2-O 3.27Å; Y138-G140 WeakPolarHBondContact CE2-O 3.42Å; Y138-G140 WeakPolarHBondContact OH-CA 3.28Å
139Q93.5Very high89.3Confident110 Ų11061.2 Ų61.251%0.51433%0.326SS..EExtended strand (participates in β ladder)trans-116.4-2.6-177-68.6-178.8-62.800113.8E110 G112 I137E110-Q139 HydrophobicContact CB-CB 4.03Å; E110-Q139 HydrophobicContact CG-CB 4.12Å; E110-Q139 PolarHBondContact O-N 3.3Å; E110-Q139 PolarHBondContact OE1-OE1 3.31Å; G112-Q139 VanDerWaalsContact N-OE1 3.12Å; I137-Q139 PolarHBondContact O-N 3.11Å
140G93.5Very high89.4Confident18 Ų1863.3 Ų63.319%0.18634%0.339CS..EExtended strand (participates in β ladder)trans116.5-162-179.700000113.3F109 E110 Y138F109-G140 WeakPolarHBondContact CA-O 3.31Å; E110-G140 PolarHBondContact N-O 2.97Å; Y138-G140 VanDerWaalsContact CE2-O 3.27Å; Y138-G140 WeakPolarHBondContact CE2-O 3.42Å; Y138-G140 WeakPolarHBondContact OH-CA 3.28Å
141V95.1Very high89.8Confident55 Ų5559.7 Ų59.733%0.33333%0.331SS..EExtended strand (participates in β ladder)trans-93.6123.5170.6176.70000108P107 I108 F109 F143P107-V141 HydrophobicContact CB-CG1 3.9Å; P107-V141 HydrophobicContact CB-CG2 4.12Å; I108-V141 CarbonylContact O-C 3.53Å; I108-V141 WeakPolarHBondContact O-CA 3.37Å; F109-V141 HydrophobicContact CD1-CG2 3.99Å; F109-V141 HydrophobicContact CE1-CG2 3.93Å; V141-F143 WeakPolarHBondContact CG1-O 3.32Å
142S95.9Very high90.7Very high19 Ų1952.6 Ų52.613%0.13331%0.31CS..EExtended strand (participates in β ladder)trans-72.6-43.8176.5-53.70000111.6I108 E110 Q120I108-S142 PolarHBondContact O-N 3.27Å; E110-S142 VanDerWaalsContact CB-OG 3.3Å; E110-S142 WeakPolarHBondContact CB-OG 3.46Å; E110-S142 PolarHBondContact OE2-OG 2.72Å; Q120-S142 PolarHBondContact NE2-OG 3.24Å
143F98.1Very high92.2Very high0 Ų049.8 Ų49.80%030%0.297CS..EExtended strand (participates in β ladder)trans-170.6169.1-179.953.2-92.7000109.2L17 V58 I73 A95 V96 I108 V141 I145L17-F143 HydrophobicContact CD1-CZ 4.49Å; V58-F143 HydrophobicContact CG1-CE1 4.22Å; V58-F143 HydrophobicContact CG1-CZ 4.11Å; V58-F143 HydrophobicContact CG2-CE2 4.48Å; I73-F143 HydrophobicContact CD1-CB 3.67Å; I73-F143 HydrophobicContact CG1-CB 4.05Å; I73-F143 HydrophobicContact CG2-CB 4.02Å; I73-F143 HydrophobicContact CG2-CD1 4.17Å; I73-F143 HydrophobicContact CG2-CG 4.19Å; A95-F143 HydrophobicContact CB-CB 4.23Å; A95-F143 HydrophobicContact CB-CD2 3.65Å; A95-F143 HydrophobicContact CB-CE2 4.33Å; A95-F143 HydrophobicContact CB-CG 4.18Å; V96-F143 WeakPolarHBondContact O-CB 3.48Å; I108-F143 HydrophobicContact CB-CD2 4.25Å; I108-F143 HydrophobicContact CB-CE2 4.04Å; I108-F143 HydrophobicContact CB-CZ 4.22Å; I108-F143 WeakPolarHBondContact CB-O 3.02Å; I108-F143 HydrophobicContact CG1-CD2 3.94Å; I108-F143 HydrophobicContact CG1-CE2 3.57Å; I108-F143 HydrophobicContact CG1-CZ 4.12Å; I108-F143 HydrophobicContact CG2-CE1 4.5Å; I108-F143 HydrophobicContact CG2-CE2 4.44Å; I108-F143 HydrophobicContact CG2-CZ 4.16Å; I108-F143 PolarHBondContact N-O 3.1Å; V141-F143 WeakPolarHBondContact CG1-O 3.32Å; F143-I145 HydrophobicContact CD2-CG2 3.65Å; F143-I145 HydrophobicContact CE2-CG2 3.62Å
144A98.4Very high93.6Very high0 Ų046.5 Ų46.50%027%0.271CS..EExtended strand (participates in β ladder)trans-117.1145.5172.200000111.8A95 V96 D98 E99 A104 T106A95-A144 WeakPolarHBondContact CB-O 3.48Å; V96-A144 HydrophobicContact CG2-CB 4.08Å; V96-A144 WeakPolarHBondContact CG2-O 3.45Å; V96-A144 PolarHBondContact N-O 3.28Å; V96-A144 VanDerWaalsContact N-O 3.08Å; V96-A144 PolarHBondContact O-N 3.3Å; D98-A144 VanDerWaalsContact C-CB 3.42Å; E99-A144 HydrophobicContact CB-CB 4.4Å; A104-A144 HydrophobicContact CB-CB 4.01Å; T106-A144 WeakPolarHBondContact O-CA 3.49Å
145I97.9Very high94.6Very high1 Ų143.7 Ų43.71%0.00526%0.257CS..EExtended strand (participates in β ladder)trans-126.8-174.6177.467.3174.8000109.9V38 K40 W41 A95 A104 N105 T106 I108 F143V38-I145 HydrophobicContact CG1-CD1 3.91Å; K40-I145 WeakPolarHBondContact O-CB 3.37Å; W41-I145 HydrophobicContact CB-CG2 4.25Å; A95-I145 HydrophobicContact CB-CG2 3.85Å; A104-I145 CarbonylContact C-O 3.56Å; A104-I145 WeakPolarHBondContact CA-O 3.2Å; A104-I145 WeakPolarHBondContact CB-O 3.5Å; N105-I145 PolarHBondContact N-O 3.41Å; T106-I145 WeakPolarHBondContact CB-O 3.28Å; T106-I145 HydrophobicContact CG2-CD1 4.49Å; T106-I145 HydrophobicContact CG2-CG1 3.97Å; T106-I145 PolarHBondContact N-O 3.15Å; T106-I145 WeakPolarHBondContact O-CG1 3.45Å; T106-I145 PolarHBondContact O-N 3.25Å; I108-I145 HydrophobicContact CD1-CD1 3.84Å; I108-I145 HydrophobicContact CD1-CG1 4.06Å; I108-I145 HydrophobicContact CG1-CD1 4.24Å; I108-I145 HydrophobicContact CG1-CG1 4.23Å; F143-I145 HydrophobicContact CD2-CG2 3.65Å; F143-I145 HydrophobicContact CE2-CG2 3.62Å
146W97.5Very high95.1Very high26 Ų2644.8 Ų44.810%0.09825%0.253CS..BIsolated β-bridgetrans-98.8148.9-179.4-62-95.4000110.9M1 G39 K40 V42 L55 V96 C102 A104M1-W146 HydrophobicContact CE-CD2 3.39Å; M1-W146 HydrophobicContact CE-CE3 3.71Å; M1-W146 HydrophobicContact CE-CG 3.79Å; M1-W146 HydrophobicContact CE-CH2 4.32Å; M1-W146 HydrophobicContact CE-CZ2 4Å; M1-W146 HydrophobicContact CE-CZ3 4.18Å; M1-W146 HydrophobicContact SD-CB 4.07Å; M1-W146 HydrophobicContact SD-CD2 3.83Å; M1-W146 HydrophobicContact SD-CE3 3.96Å; M1-W146 HydrophobicContact SD-CG 3.87Å; G39-W146 CarbonylContact C-O 3.58Å; G39-W146 VanDerWaalsContact CA-O 3.31Å; G39-W146 WeakPolarHBondContact CA-O 3.49Å; K40-W146 HydrophobicContact CB-CB 4.39Å; K40-W146 PolarHBondContact N-O 3.13Å; K40-W146 PolarHBondContact O-N 3.13Å; V42-W146 HydrophobicContact CG2-CH2 4.04Å; V42-W146 HydrophobicContact CG2-CZ3 3.92Å; L55-W146 HydrophobicContact CD2-CH2 3.61Å; L55-W146 HydrophobicContact CD2-CZ2 4.45Å; L55-W146 HydrophobicContact CD2-CZ3 4.41Å; V96-W146 HydrophobicContact CG1-CH2 4.13Å; V96-W146 HydrophobicContact CG1-CZ2 4.31Å; C102-W146 HydrophobicContact CB-CZ2 4.1Å; C102-W146 PolarHBondContact O-NE1 2.84Å; A104-W146 HydrophobicContact CB-CD2 4.48Å; A104-W146 HydrophobicContact CB-CZ2 4.36Å
147S96Very high95.4Very high61 Ų6146.9 Ų46.943%0.42727%0.268SS..  trans-59.4143.6171.654.20000110.4N105 T106N105-S147 PolarHBondContact ND2-OG 2.96Å; N105-S147 WeakPolarHBondContact OD1-CB 3.39Å; N105-S147 PolarHBondContact OD1-N 3.26Å; N105-S147 PolarHBondContact OD1-OG 3.24Å; T106-S147 WeakPolarHBondContact OG1-CA 3.45Å; T106-S147 PolarHBondContact OG1-N 3.2Å
148A91.1Very high95.5Very high78 Ų7842.8 Ų42.865%0.64525%0.25SC*.  trans-71.50174.700000112.6T3 I37 K40T3-A148 HydrophobicContact CG2-CB 4.27Å; I37-A148 HydrophobicContact CG2-CB 3.35Å; K40-A148 WeakPolarHBondContact CE-OXT 3.48Å; K40-A148 HydrophobicContact CG-CB 4.33Å; K40-A148 PolarHBondContact NZ-OXT 2.95Å

Retrieved 148 of 148 residues in 182.5 ms (Link to these results)

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