RL17_STAAM Loading...

Large ribosomal subunit protein bL17

AlphaFold DB (Q2FW33), UniProt , Accession Q99S46, Species STAAM (Staphylococcus aureus (strain Mu50 / ATCC 700699)), Gene rplQ, Length 122 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
1M48.7Very low85Confident239 Ų239111.3 Ų111.3100%1.17762%0.619SS**  01120-104.3160.9-175.600108.8
2G76Confident85.9Confident86 Ų86110.4 Ų110.489%0.88761%0.607SS**  trans-72.3141.4177.500000111.2
3Y81.2Confident86.5Confident146 Ų146104.9 Ų104.957%0.57357%0.572SS**  trans-116.6150.5172.463.3-92.7000109.7
4R86.7Confident87.1Confident108 Ų108107 Ų10741%0.40857%0.572SS.*  trans-73.8136.3175-64.7179.1-17291.3-1.3110.1L6 R13 E39R4-L6 VanDerWaalsContact C-N 3.27Å; R4-L6 HydrophobicContact CB-CD2 3.91Å; R4-L6 HydrophobicContact CB-CG 4.18Å; R4-L6 PolarHBondContact O-N 2.53Å; R4-R13 WeakPolarHBondContact O-CD 3.42Å; R4-R13 PolarHBondContact O-NE 2.94Å; R4-E39 HydrophobicContact CB-CG 4.25Å; R4-E39 WeakPolarHBondContact CB-OE1 3.31Å; R4-E39 VanDerWaalsContact CG-OE1 3.28Å; R4-E39 WeakPolarHBondContact CG-OE1 3.5Å; R4-E39 IonicContact CZ-OE1 3.12Å; R4-E39 PolarHBondContact N-OE1 3.04Å; R4-E39 IonicContact NH1-OE1 3.14Å; R4-E39 PolarHBondContact NH1-OE1 3.13Å
5K85.2Confident87.7Confident161 Ų161102.3 Ų102.370%0.755%0.554SS**  trans-69.1-23.7175.7-66.3-172.5179-178.70113.2G7 R8K5-G7 PolarHBondContact O-N 3.07Å; K5-G7 VanDerWaalsContact O-N 3.07Å; K5-R8 PolarHBondContact O-N 3.18Å; K5-R8 VanDerWaalsContact O-N 3.14Å
6L90.2Very high88.2Confident33 Ų3396.4 Ų96.417%0.17352%0.522CS..THydrogen-bonded Turntrans5621.6179.1-55.1172.2000114.3R4 R8 R13 M16 L17 A35 E39R4-L6 VanDerWaalsContact C-N 3.27Å; R4-L6 HydrophobicContact CB-CD2 3.91Å; R4-L6 HydrophobicContact CB-CG 4.18Å; R4-L6 PolarHBondContact O-N 2.53Å; L6-R8 PolarHBondContact O-N 3.2Å; L6-R13 HydrophobicContact CD1-CG 4.15Å; L6-M16 HydrophobicContact CB-CE 4.34Å; L6-M16 HydrophobicContact CD1-CE 3.33Å; L6-M16 HydrophobicContact CG-CE 4.41Å; L6-L17 HydrophobicContact CD1-CD2 4.4Å; L6-A35 HydrophobicContact CD2-CB 4.07Å; L6-E39 HydrophobicContact CD1-CB 4.3Å; L6-E39 HydrophobicContact CD1-CG 3.95Å; L6-E39 HydrophobicContact CD2-CG 4.05Å; L6-E39 HydrophobicContact CG-CG 4.35Å
7G91.2Very high88.7Confident85 Ų8591.4 Ų91.488%0.87650%0.495SS*.THydrogen-bonded Turntrans65.821.3-176.800000114.5K5K5-G7 PolarHBondContact O-N 3.07Å; K5-G7 VanDerWaalsContact O-N 3.07Å
8R92.4Very high89.1Confident96 Ų9690.3 Ų90.336%0.36248%0.482SS..SBendtrans-127.6155.6-177.8-67.4-174.7179.8-166.40.1111.8K5 L6 Q12 R13 M16K5-R8 PolarHBondContact O-N 3.18Å; K5-R8 VanDerWaalsContact O-N 3.14Å; L6-R8 PolarHBondContact O-N 3.2Å; R8-Q12 HydrophobicContact CB-CB 4.07Å; R8-R13 HydrophobicContact CB-CB 4.29Å; R8-M16 VanDerWaalsContact NH1-CB 3.26Å; R8-M16 PolarHBondContact NH1-SD 2.96Å
9T95.2Very high89.5Confident75 Ų7588.7 Ų88.746%0.4647%0.474SS..  trans-65.4163.8167.8570000110.5D11 Q12 R13T9-D11 WeakPolarHBondContact CB-OD1 2.9Å; T9-D11 PolarHBondContact O-N 3.42Å; T9-D11 PolarHBondContact OG1-OD1 2.87Å; T9-Q12 PolarHBondContact O-N 3.07Å; T9-Q12 VanDerWaalsContact OG1-CG 3.3Å; T9-Q12 WeakPolarHBondContact OG1-CG 3.35Å; T9-R13 VanDerWaalsContact O-CB 3.26Å; T9-R13 WeakPolarHBondContact O-CB 3.36Å; T9-R13 PolarHBondContact O-N 3.44Å
10S93.3Very high89.9Confident93 Ų9385.9 Ų85.965%0.6546%0.458SS*.Hα-helixtrans-62.2-39.9-171.353.70000113.4K14S10-K14 WeakPolarHBondContact O-CB 3.4Å; S10-K14 PolarHBondContact O-N 3.47Å
11D94.7Very high90.2Very high102 Ų10281.8 Ų81.855%0.54544%0.437SS..Hα-helixtrans-65.4-49.9176.163.3-52.2000111.5T9 R13 K14 A15T9-D11 WeakPolarHBondContact CB-OD1 2.9Å; T9-D11 PolarHBondContact O-N 3.42Å; T9-D11 PolarHBondContact OG1-OD1 2.87Å; D11-R13 VanDerWaalsContact C-N 3.34Å; D11-R13 PolarHBondContact O-N 3.25Å; D11-K14 PolarHBondContact O-N 2.72Å; D11-A15 PolarHBondContact O-N 3.36Å
12Q95.9Very high92.5Very high101 Ų10170.6 Ų70.647%0.47238%0.382SS..Hα-helixtrans-64.8-38.6178-68.7179.4-0.300112.1R8 T9 A15 M16R8-Q12 HydrophobicContact CB-CB 4.07Å; T9-Q12 PolarHBondContact O-N 3.07Å; T9-Q12 VanDerWaalsContact OG1-CG 3.3Å; T9-Q12 WeakPolarHBondContact OG1-CG 3.35Å; Q12-A15 PolarHBondContact O-N 3.32Å; Q12-M16 WeakPolarHBondContact O-CB 3.39Å; Q12-M16 PolarHBondContact O-N 3.01Å
13R94.6Very high93.5Very high39 Ų3969 Ų6915%0.14736%0.357CS..Hα-helixtrans-62-46.3173.9179.7-178.6170.4-76.4-4.5110.3R4 L6 R8 T9 D11 M16 L17 E39R4-R13 WeakPolarHBondContact O-CD 3.42Å; R4-R13 PolarHBondContact O-NE 2.94Å; L6-R13 HydrophobicContact CD1-CG 4.15Å; R8-R13 HydrophobicContact CB-CB 4.29Å; T9-R13 VanDerWaalsContact O-CB 3.26Å; T9-R13 WeakPolarHBondContact O-CB 3.36Å; T9-R13 PolarHBondContact O-N 3.44Å; D11-R13 VanDerWaalsContact C-N 3.34Å; D11-R13 PolarHBondContact O-N 3.25Å; R13-M16 PolarHBondContact O-N 3.16Å; R13-L17 HydrophobicContact CG-CD1 4.26Å; R13-L17 WeakPolarHBondContact O-CG 3.48Å; R13-L17 PolarHBondContact O-N 3.45Å; R13-E39 IonicContact CZ-OE2 3.82Å; R13-E39 IonicContact NH2-OE2 2.58Å; R13-E39 PolarHBondContact NH2-OE2 3.13Å
14K94.1Very high94.3Very high134 Ų13462 Ų6258%0.58333%0.329SS*.Hα-helixtrans-61.6-47.9178.3-174.3179.5179.3-177.30110.7S10 D11 M16 L17 R18S10-K14 WeakPolarHBondContact O-CB 3.4Å; S10-K14 PolarHBondContact O-N 3.47Å; D11-K14 PolarHBondContact O-N 2.72Å; K14-M16 PolarHBondContact O-N 3.45Å; K14-L17 PolarHBondContact O-N 2.74Å; K14-R18 VanDerWaalsContact O-CG 3.3Å; K14-R18 WeakPolarHBondContact O-CG 3.31Å; K14-R18 PolarHBondContact O-N 2.99Å; K14-R18 VanDerWaalsContact O-N 3.08Å
15A95.9Very high94.7Very high36 Ų3656.9 Ų56.930%0.29831%0.31SS..Hα-helixtrans-56.5-49.2177.300000111.6D11 Q12 L17 R18 D19D11-A15 PolarHBondContact O-N 3.36Å; Q12-A15 PolarHBondContact O-N 3.32Å; A15-L17 PolarHBondContact O-N 3.37Å; A15-R18 WeakPolarHBondContact O-CB 3.37Å; A15-R18 PolarHBondContact O-N 3.22Å; A15-R18 VanDerWaalsContact O-N 3.14Å; A15-D19 PolarHBondContact O-N 3.03Å
16M96Very high95.2Very high8 Ų851.2 Ų51.24%0.03929%0.287CS..Hα-helixtrans-59.2-43.3178.7-172-169.365.800113.4L6 R8 Q12 R13 K14 R18 D19 L20 R36L6-M16 HydrophobicContact CB-CE 4.34Å; L6-M16 HydrophobicContact CD1-CE 3.33Å; L6-M16 HydrophobicContact CG-CE 4.41Å; R8-M16 VanDerWaalsContact NH1-CB 3.26Å; R8-M16 PolarHBondContact NH1-SD 2.96Å; Q12-M16 WeakPolarHBondContact O-CB 3.39Å; Q12-M16 PolarHBondContact O-N 3.01Å; R13-M16 PolarHBondContact O-N 3.16Å; K14-M16 PolarHBondContact O-N 3.45Å; M16-R18 VanDerWaalsContact C-N 3.29Å; M16-R18 PolarHBondContact O-N 2.95Å; M16-D19 WeakPolarHBondContact O-CB 3.33Å; M16-D19 PolarHBondContact O-N 3.37Å; M16-L20 HydrophobicContact CE-CD1 4.43Å; M16-L20 HydrophobicContact CG-CD1 4Å; M16-L20 HydrophobicContact CG-CG 4.42Å; M16-L20 WeakPolarHBondContact O-CG 3.5Å; M16-L20 PolarHBondContact O-N 3.1Å; M16-L20 HydrophobicContact SD-CD1 4.39Å; M16-R36 HydrophobicContact CE-CG 4.07Å; M16-R36 HydrophobicContact SD-CG 4.3Å
17L96.2Very high95.4Very high12 Ų1253.2 Ų53.26%0.06330%0.304CS..Hα-helixtrans-67.1-34.5179.3-71.4176.9000111.6L6 R13 K14 A15 A21 E39 V40 V43L6-L17 HydrophobicContact CD1-CD2 4.4Å; R13-L17 HydrophobicContact CG-CD1 4.26Å; R13-L17 WeakPolarHBondContact O-CG 3.48Å; R13-L17 PolarHBondContact O-N 3.45Å; K14-L17 PolarHBondContact O-N 2.74Å; A15-L17 PolarHBondContact O-N 3.37Å; L17-A21 WeakPolarHBondContact O-CB 3.47Å; L17-A21 PolarHBondContact O-N 3.15Å; L17-E39 HydrophobicContact CD2-CB 3.77Å; L17-V40 HydrophobicContact CD2-CG2 3.99Å; L17-V43 HydrophobicContact CD1-CG2 4.48Å
18R96.4Very high95.6Very high72 Ų7251.3 Ų51.327%0.27227%0.272SS..Hα-helixtrans-65.2-41.9172.9-66179.167.8-175.94.1111.3K14 A15 M16 T22 K64 T65 L66K14-R18 VanDerWaalsContact O-CG 3.3Å; K14-R18 WeakPolarHBondContact O-CG 3.31Å; K14-R18 PolarHBondContact O-N 2.99Å; K14-R18 VanDerWaalsContact O-N 3.08Å; A15-R18 WeakPolarHBondContact O-CB 3.37Å; A15-R18 PolarHBondContact O-N 3.22Å; A15-R18 VanDerWaalsContact O-N 3.14Å; M16-R18 VanDerWaalsContact C-N 3.29Å; M16-R18 PolarHBondContact O-N 2.95Å; R18-T22 WeakPolarHBondContact O-CB 3.41Å; R18-T22 PolarHBondContact O-N 3.42Å; R18-T22 PolarHBondContact O-OG1 3.14Å; R18-K64 PolarHBondContact NH2-O 3.07Å; R18-T65 VanDerWaalsContact CB-O 3.31Å; R18-T65 WeakPolarHBondContact CB-O 3.37Å; R18-T65 HydrophobicContact CG-CG2 4.28Å; R18-T65 WeakPolarHBondContact CG-O 3.42Å; R18-T65 PolarHBondContact NE-O 3.14Å; R18-L66 PolarHBondContact NH2-O 2.84Å
19D96.8Very high95.8Very high60 Ų6053.6 Ų53.632%0.32128%0.281SS..Hα-helixtrans-60.7-56.7177.1-59.9-22.1000110.5A15 M16 A21 T22 S23 R67A15-D19 PolarHBondContact O-N 3.03Å; M16-D19 WeakPolarHBondContact O-CB 3.33Å; M16-D19 PolarHBondContact O-N 3.37Å; D19-A21 PolarHBondContact O-N 2.84Å; D19-T22 PolarHBondContact O-N 2.79Å; D19-T22 VanDerWaalsContact O-N 3.14Å; D19-S23 PolarHBondContact O-N 3.24Å; D19-S23 PolarHBondContact O-OG 3.15Å; D19-R67 IonicContact OD1-CZ 2.99Å; D19-R67 IonicContact OD1-NE 2.71Å; D19-R67 PolarHBondContact OD1-NE 3.45Å; D19-R67 IonicContact OD1-NH2 3.4Å; D19-R67 PolarHBondContact OD1-NH2 2.96Å; D19-R67 IonicContact OD2-NH2 2.72Å
20L97.1Very high95.9Very high31 Ų3151.1 Ų51.116%0.16226%0.264CS..Hα-helixtrans-63.7-38.7-177.6-67.6173.1000112.7M16 S23 L24 I30 R36 V40M16-L20 HydrophobicContact CE-CD1 4.43Å; M16-L20 HydrophobicContact CG-CD1 4Å; M16-L20 HydrophobicContact CG-CG 4.42Å; M16-L20 WeakPolarHBondContact O-CG 3.5Å; M16-L20 PolarHBondContact O-N 3.1Å; M16-L20 HydrophobicContact SD-CD1 4.39Å; L20-S23 PolarHBondContact O-N 2.74Å; L20-L24 WeakPolarHBondContact O-CB 3.3Å; L20-L24 PolarHBondContact O-N 2.8Å; L20-I30 HydrophobicContact CB-CD1 4.37Å; L20-I30 HydrophobicContact CD2-CD1 4.17Å; L20-R36 HydrophobicContact CD1-CB 4.17Å; L20-V40 HydrophobicContact CB-CG1 4.45Å; L20-V40 HydrophobicContact CB-CG2 3.52Å; L20-V40 HydrophobicContact CD1-CG2 3.69Å; L20-V40 HydrophobicContact CG-CG2 4.25Å
21A97.1Very high96.1Very high0 Ų052.4 Ų52.40%026%0.26CS..Hα-helixtrans-64.9-41.7175.200000111.4L17 D19 L24 I25 V43 V44 L47L17-A21 WeakPolarHBondContact O-CB 3.47Å; L17-A21 PolarHBondContact O-N 3.15Å; D19-A21 PolarHBondContact O-N 2.84Å; A21-L24 PolarHBondContact O-N 3.32Å; A21-I25 WeakPolarHBondContact O-CG1 3.38Å; A21-I25 PolarHBondContact O-N 3.08Å; A21-I25 VanDerWaalsContact O-N 3.09Å; A21-V43 HydrophobicContact CB-CG1 4.08Å; A21-V44 HydrophobicContact CB-CG2 3.74Å; A21-L47 HydrophobicContact CB-CD1 4.25Å
22T97Very high96.2Very high4 Ų448 Ų483%0.02524%0.237CC..Hα-helixtrans-64.2-46.6176.5-53.80000110.5R18 D19 L24 I25 I26 R67 V69 A81R18-T22 WeakPolarHBondContact O-CB 3.41Å; R18-T22 PolarHBondContact O-N 3.42Å; R18-T22 PolarHBondContact O-OG1 3.14Å; D19-T22 PolarHBondContact O-N 2.79Å; D19-T22 VanDerWaalsContact O-N 3.14Å; T22-L24 VanDerWaalsContact C-N 3.34Å; T22-L24 PolarHBondContact O-N 3.35Å; T22-I25 PolarHBondContact O-N 3.38Å; T22-I26 HydrophobicContact CG2-CD1 3.84Å; T22-I26 HydrophobicContact CG2-CG1 4.49Å; T22-I26 VanDerWaalsContact O-CG1 3.28Å; T22-I26 WeakPolarHBondContact O-CG1 3.31Å; T22-I26 PolarHBondContact O-N 3.18Å; T22-R67 HydrophobicContact CG2-CB 4.24Å; T22-R67 PolarHBondContact OG1-N 3.48Å; T22-R67 VanDerWaalsContact OG1-N 3.11Å; T22-V69 HydrophobicContact CG2-CB 4.26Å; T22-V69 HydrophobicContact CG2-CG2 3.95Å; T22-A81 HydrophobicContact CG2-CB 3.88Å
23S96.6Very high96.2Very high52 Ų5244.3 Ų44.336%0.36422%0.222SC..Hα-helixtrans-60.3-40.4176.2-600000112.8D19 L20 I25 I26 S27D19-S23 PolarHBondContact O-N 3.24Å; D19-S23 PolarHBondContact O-OG 3.15Å; L20-S23 PolarHBondContact O-N 2.74Å; S23-I25 VanDerWaalsContact C-N 3.35Å; S23-I25 PolarHBondContact O-N 3.48Å; S23-I26 PolarHBondContact O-N 2.85Å; S23-S27 WeakPolarHBondContact O-CB 3.48Å; S23-S27 PolarHBondContact O-N 3.4Å
24L97.1Very high96.2Very high0 Ų044.9 Ų44.90%023%0.226CC..Hα-helixtrans-66.1-36.6177.3-177.156.5000112.3L20 A21 T22 E28 I30 V40 V44 T101 I119 L121L20-L24 WeakPolarHBondContact O-CB 3.3Å; L20-L24 PolarHBondContact O-N 2.8Å; A21-L24 PolarHBondContact O-N 3.32Å; T22-L24 VanDerWaalsContact C-N 3.34Å; T22-L24 PolarHBondContact O-N 3.35Å; L24-E28 WeakPolarHBondContact O-CA 3.24Å; L24-E28 PolarHBondContact O-N 3.19Å; L24-I30 HydrophobicContact CB-CD1 4.07Å; L24-I30 HydrophobicContact CB-CG1 4.46Å; L24-I30 HydrophobicContact CB-CG2 4.48Å; L24-I30 HydrophobicContact CD1-CG1 4.24Å; L24-V40 HydrophobicContact CD2-CG1 4.05Å; L24-V44 HydrophobicContact CD2-CB 4.35Å; L24-V44 HydrophobicContact CD2-CG1 4.12Å; L24-V44 HydrophobicContact CD2-CG2 4.08Å; L24-T101 HydrophobicContact CD2-CG2 4.49Å; L24-I119 HydrophobicContact CD1-CG2 4.48Å; L24-I119 WeakPolarHBondContact CD1-O 3.02Å; L24-I119 HydrophobicContact CD2-CD1 3.88Å; L24-I119 HydrophobicContact CD2-CG1 3.91Å; L24-I119 HydrophobicContact CD2-CG2 4.24Å; L24-L121 HydrophobicContact CD1-CG 4.48Å; L24-L121 HydrophobicContact CD2-CD2 4.49Å; L24-L121 HydrophobicContact CG-CD2 4.36Å
25I95.9Very high96.3Very high0 Ų040.6 Ų40.60%022%0.216CC..Hα-helixtrans-68.2-37.5175.4-69.1-57.7000111.7A21 T22 S23 V44 L66 A81 K84 L85 I89A21-I25 WeakPolarHBondContact O-CG1 3.38Å; A21-I25 PolarHBondContact O-N 3.08Å; A21-I25 VanDerWaalsContact O-N 3.09Å; T22-I25 PolarHBondContact O-N 3.38Å; S23-I25 VanDerWaalsContact C-N 3.35Å; S23-I25 PolarHBondContact O-N 3.48Å; I25-V44 HydrophobicContact CD1-CG1 4.14Å; I25-L66 HydrophobicContact CG1-CD2 4.31Å; I25-A81 HydrophobicContact CG2-CB 4.2Å; I25-A81 WeakPolarHBondContact CG2-O 3.41Å; I25-K84 WeakPolarHBondContact O-CE 3.22Å; I25-L85 HydrophobicContact CD1-CD1 3.85Å; I25-L85 HydrophobicContact CG2-CB 4.36Å; I25-I89 HydrophobicContact CB-CD1 4.4Å; I25-I89 HydrophobicContact CD1-CD1 3.8Å; I25-I89 HydrophobicContact CG2-CD1 3.79Å
26I95Very high96.3Very high42 Ų4242.8 Ų42.822%0.21522%0.216CC..Hα-helixtrans-71-58.5179.7-64.7168.1000110.5T22 S23 V69 I71 A81 K84T22-I26 HydrophobicContact CG2-CD1 3.84Å; T22-I26 HydrophobicContact CG2-CG1 4.49Å; T22-I26 VanDerWaalsContact O-CG1 3.28Å; T22-I26 WeakPolarHBondContact O-CG1 3.31Å; T22-I26 PolarHBondContact O-N 3.18Å; S23-I26 PolarHBondContact O-N 2.85Å; I26-V69 HydrophobicContact CD1-CB 4.05Å; I26-V69 HydrophobicContact CD1-CG1 3.71Å; I26-I71 HydrophobicContact CB-CD1 4.3Å; I26-I71 HydrophobicContact CD1-CG1 4.39Å; I26-I71 HydrophobicContact CG1-CD1 3.74Å; I26-I71 HydrophobicContact CG1-CG1 3.91Å; I26-I71 HydrophobicContact CG2-CD1 4.22Å; I26-I71 HydrophobicContact CG2-CG1 4.11Å; I26-I71 HydrophobicContact CG2-CG2 4.47Å; I26-A81 HydrophobicContact CD1-CB 4.48Å; I26-A81 HydrophobicContact CG1-CB 4.12Å; I26-K84 PolarHBondContact O-NZ 2.98Å
27S94.6Very high96.3Very high76 Ų7642.4 Ų42.453%0.53121%0.214SC..Hα-helixtrans-89.2-9.2-169.6-54.60000113.9S23 R29S23-S27 WeakPolarHBondContact O-CB 3.48Å; S23-S27 PolarHBondContact O-N 3.4Å; S27-R29 PolarHBondContact O-N 2.67Å
28E95.7Very high96.3Very high45 Ų4545.8 Ų45.821%0.2123%0.228CC..SBendtrans59.7-12.4-176.4-53-169.1-169.300115.8L24 K84 R92 E120 L121L24-E28 WeakPolarHBondContact O-CA 3.24Å; L24-E28 PolarHBondContact O-N 3.19Å; E28-K84 WeakPolarHBondContact OE1-CE 3.5Å; E28-K84 IonicContact OE1-NZ 3.62Å; E28-K84 PolarHBondContact OE1-NZ 3.29Å; E28-K84 VanDerWaalsContact OE1-NZ 3.14Å; E28-R92 IonicContact OE1-NH2 3.6Å; E28-R92 PolarHBondContact OE1-NH2 3.08Å; E28-R92 VanDerWaalsContact OE1-NH2 3.12Å; E28-R92 IonicContact OE2-CZ 3.74Å; E28-R92 VanDerWaalsContact OE2-CZ 3.32Å; E28-R92 IonicContact OE2-NH1 2.79Å; E28-R92 PolarHBondContact OE2-NH1 2.86Å; E28-R92 IonicContact OE2-NH2 2.65Å; E28-R92 PolarHBondContact OE2-NH2 3.14Å; E28-E120 CarbonylContact O-C 3.51Å; E28-E120 VanDerWaalsContact O-CA 3.23Å; E28-E120 WeakPolarHBondContact O-CA 3.5Å; E28-L121 HydrophobicContact CB-CB 4.43Å; E28-L121 HydrophobicContact CB-CD1 4.3Å; E28-L121 HydrophobicContact CB-CG 4.47Å; E28-L121 HydrophobicContact CG-CD1 4.17Å; E28-L121 PolarHBondContact O-N 3.42Å
29R97.2Very high96.2Very high144 Ų14443 Ų4354%0.54322%0.219SC..EExtended strand (participates in β ladder)trans-148.2124.6-178.9-176172.6-173.1-96.67.6109.5S27 I118 I119 E120S27-R29 PolarHBondContact O-N 2.67Å; R29-I118 HydrophobicContact CG-CG2 3.59Å; R29-I119 WeakPolarHBondContact CA-O 2.92Å; R29-E120 HydrophobicContact CB-CB 4.19Å; R29-E120 HydrophobicContact CG-CB 4.09Å; R29-E120 IonicContact NE-OE2 3Å
30I97.6Very high96.2Very high22 Ų2240.2 Ų40.211%0.11320%0.203CC..EExtended strand (participates in β ladder)trans-133.9149.2175.868.1175.3000110.8L20 L24 I118 I119L20-I30 HydrophobicContact CB-CD1 4.37Å; L20-I30 HydrophobicContact CD2-CD1 4.17Å; L24-I30 HydrophobicContact CB-CD1 4.07Å; L24-I30 HydrophobicContact CB-CG1 4.46Å; L24-I30 HydrophobicContact CB-CG2 4.48Å; L24-I30 HydrophobicContact CD1-CG1 4.24Å; I30-I118 WeakPolarHBondContact O-CA 3.5Å; I30-I119 HydrophobicContact CD1-CG2 3.82Å; I30-I119 HydrophobicContact CG1-CG2 3.31Å; I30-I119 PolarHBondContact N-O 3.19Å; I30-I119 PolarHBondContact O-N 2.94Å
31E97Very high96.2Very high121 Ų12143.1 Ų43.157%0.56521%0.212SC*.EExtended strand (participates in β ladder)trans-98.3131.8171.9-171.4179.6141.700110.3Q106 S116E31-Q106 PolarHBondContact OE1-OE1 3.17Å; E31-Q106 PolarHBondContact OE2-NE2 3.28Å; E31-Q106 PolarHBondContact OE2-OE1 3.31Å; E31-S116 WeakPolarHBondContact CG-OG 3.37Å; E31-S116 PolarHBondContact OE1-OG 3.24Å
32T96.5Very high96.1Very high10 Ų1045.6 Ų45.66%0.06123%0.229CC..EExtended strand (participates in β ladder)trans-157.7177.7179.3-162.20000111.8R36 A37 V117 I119T32-R36 HydrophobicContact CG2-CB 4.22Å; T32-A37 HydrophobicContact CG2-CB 3.69Å; T32-V117 HydrophobicContact CG2-CG2 4.48Å; T32-V117 PolarHBondContact N-O 3.48Å; T32-V117 WeakPolarHBondContact O-CG2 3.46Å; T32-V117 PolarHBondContact O-N 3.3Å; T32-I119 HydrophobicContact CG2-CG2 4.4Å
33T95.9Very high96.1Very high23 Ų2346.8 Ų46.814%0.14124%0.237CC..EExtended strand (participates in β ladder)trans-71.6148.7173.757.40000111.2A35 R36 A37 A114 E115T33-A35 VanDerWaalsContact C-N 3.27Å; T33-A35 PolarHBondContact O-N 3.25Å; T33-A35 VanDerWaalsContact O-N 3.14Å; T33-R36 PolarHBondContact O-N 3.03Å; T33-R36 WeakPolarHBondContact OG1-CB 3.46Å; T33-R36 WeakPolarHBondContact OG1-CD 3.47Å; T33-R36 WeakPolarHBondContact OG1-CG 3.48Å; T33-R36 PolarHBondContact OG1-N 3.34Å; T33-A37 PolarHBondContact O-N 2.9Å; T33-A114 HydrophobicContact CG2-CB 4.32Å; T33-E115 WeakPolarHBondContact CA-O 3.34Å
34E95Very high96.1Very high51 Ų5144.3 Ų44.324%0.23822%0.219CC..Hα-helixtrans-50.6-44178.9-170.5-177.1-175.100113.5R36 A37 K38 E115 V117E34-R36 PolarHBondContact O-N 3.36Å; E34-A37 PolarHBondContact O-N 3.08Å; E34-K38 HydrophobicContact CG-CD 4.35Å; E34-K38 WeakPolarHBondContact O-CG 3.36Å; E34-K38 PolarHBondContact O-N 3.18Å; E34-K38 VanDerWaalsContact O-N 3.07Å; E34-K38 WeakPolarHBondContact OE1-CE 3.43Å; E34-K38 IonicContact OE1-NZ 2.71Å; E34-K38 PolarHBondContact OE1-NZ 2.98Å; E34-E115 HydrophobicContact CB-CB 4.37Å; E34-E115 PolarHBondContact N-O 2.97Å; E34-V117 HydrophobicContact CB-CG1 3.77Å; E34-V117 HydrophobicContact CG-CG1 4.1Å
35A95Very high96Very high44 Ų4446.7 Ų46.736%0.36423%0.23SC..Hα-helixtrans-62.3-41.2-179.700000112.7L6 T33 E39L6-A35 HydrophobicContact CD2-CB 4.07Å; T33-A35 VanDerWaalsContact C-N 3.27Å; T33-A35 PolarHBondContact O-N 3.25Å; T33-A35 VanDerWaalsContact O-N 3.14Å; A35-E39 WeakPolarHBondContact O-CG 3.28Å; A35-E39 PolarHBondContact O-N 3.47Å
36R95.8Very high96Very high81 Ų8153.4 Ų53.431%0.30626%0.26SS..Hα-helixtrans-69.6-44.1176.7-68.6176.9-170.7175.16.2110.9M16 L20 T32 T33 E34 K38 E39 V40M16-R36 HydrophobicContact CE-CG 4.07Å; M16-R36 HydrophobicContact SD-CG 4.3Å; L20-R36 HydrophobicContact CD1-CB 4.17Å; T32-R36 HydrophobicContact CG2-CB 4.22Å; T33-R36 PolarHBondContact O-N 3.03Å; T33-R36 WeakPolarHBondContact OG1-CB 3.46Å; T33-R36 WeakPolarHBondContact OG1-CD 3.47Å; T33-R36 WeakPolarHBondContact OG1-CG 3.48Å; T33-R36 PolarHBondContact OG1-N 3.34Å; E34-R36 PolarHBondContact O-N 3.36Å; R36-K38 VanDerWaalsContact C-N 3.33Å; R36-K38 PolarHBondContact O-N 3.1Å; R36-E39 PolarHBondContact O-N 3.19Å; R36-E39 VanDerWaalsContact O-N 3.15Å; R36-V40 VanDerWaalsContact O-CG2 3.28Å; R36-V40 WeakPolarHBondContact O-CG2 3.38Å; R36-V40 PolarHBondContact O-N 3.14Å
37A96.8Very high96.1Very high0 Ų051.7 Ų51.70%025%0.251CS..Hα-helixtrans-57.5-43.9178.800000112.4T32 T33 E34 E39 V40 R41 I103 V117 I119T32-A37 HydrophobicContact CG2-CB 3.69Å; T33-A37 PolarHBondContact O-N 2.9Å; E34-A37 PolarHBondContact O-N 3.08Å; A37-E39 VanDerWaalsContact C-N 3.31Å; A37-E39 PolarHBondContact O-N 3.4Å; A37-V40 PolarHBondContact O-N 2.75Å; A37-R41 WeakPolarHBondContact O-CB 3.44Å; A37-R41 PolarHBondContact O-N 2.88Å; A37-I103 HydrophobicContact CB-CD1 4Å; A37-I103 HydrophobicContact CB-CG1 4.38Å; A37-I103 HydrophobicContact CB-CG2 4.45Å; A37-V117 HydrophobicContact CB-CG2 3.36Å; A37-I119 HydrophobicContact CB-CB 4.27Å; A37-I119 HydrophobicContact CB-CG2 4.43Å
38K95.6Very high96.2Very high84 Ų8448 Ų4837%0.36523%0.225SC..Hα-helixtrans-61.5-37.3177.9-71.8177.4-177.8168.50112.8E34 R36 I103E34-K38 HydrophobicContact CG-CD 4.35Å; E34-K38 WeakPolarHBondContact O-CG 3.36Å; E34-K38 PolarHBondContact O-N 3.18Å; E34-K38 VanDerWaalsContact O-N 3.07Å; E34-K38 WeakPolarHBondContact OE1-CE 3.43Å; E34-K38 IonicContact OE1-NZ 2.71Å; E34-K38 PolarHBondContact OE1-NZ 2.98Å; R36-K38 VanDerWaalsContact C-N 3.33Å; R36-K38 PolarHBondContact O-N 3.1Å; K38-I103 HydrophobicContact CG-CD1 4.24Å
39E95.9Very high96.2Very high14 Ų1449 Ų497%0.06523%0.234CC..Hα-helixtrans-73.8-42.2176.1-61.7-70.5133.600111.4R4 L6 R13 L17 A35 R36 A37 R41 S42 V43R4-E39 HydrophobicContact CB-CG 4.25Å; R4-E39 WeakPolarHBondContact CB-OE1 3.31Å; R4-E39 VanDerWaalsContact CG-OE1 3.28Å; R4-E39 WeakPolarHBondContact CG-OE1 3.5Å; R4-E39 IonicContact CZ-OE1 3.12Å; R4-E39 PolarHBondContact N-OE1 3.04Å; R4-E39 IonicContact NH1-OE1 3.14Å; R4-E39 PolarHBondContact NH1-OE1 3.13Å; L6-E39 HydrophobicContact CD1-CB 4.3Å; L6-E39 HydrophobicContact CD1-CG 3.95Å; L6-E39 HydrophobicContact CD2-CG 4.05Å; L6-E39 HydrophobicContact CG-CG 4.35Å; R13-E39 IonicContact CZ-OE2 3.82Å; R13-E39 IonicContact NH2-OE2 2.58Å; R13-E39 PolarHBondContact NH2-OE2 3.13Å; L17-E39 HydrophobicContact CD2-CB 3.77Å; A35-E39 WeakPolarHBondContact O-CG 3.28Å; A35-E39 PolarHBondContact O-N 3.47Å; R36-E39 PolarHBondContact O-N 3.19Å; R36-E39 VanDerWaalsContact O-N 3.15Å; A37-E39 VanDerWaalsContact C-N 3.31Å; A37-E39 PolarHBondContact O-N 3.4Å; E39-R41 PolarHBondContact O-N 3.48Å; E39-S42 PolarHBondContact O-N 2.82Å; E39-S42 PolarHBondContact O-OG 2.79Å; E39-V43 PolarHBondContact O-N 3.4Å
40V96.4Very high96.2Very high0 Ų043.9 Ų43.90%022%0.218CC..Hα-helixtrans-61-43177.1173.30000111.1L17 L20 L24 R36 A37 S42 V43 V44 I119L17-V40 HydrophobicContact CD2-CG2 3.99Å; L20-V40 HydrophobicContact CB-CG1 4.45Å; L20-V40 HydrophobicContact CB-CG2 3.52Å; L20-V40 HydrophobicContact CD1-CG2 3.69Å; L20-V40 HydrophobicContact CG-CG2 4.25Å; L24-V40 HydrophobicContact CD2-CG1 4.05Å; R36-V40 VanDerWaalsContact O-CG2 3.28Å; R36-V40 WeakPolarHBondContact O-CG2 3.38Å; R36-V40 PolarHBondContact O-N 3.14Å; A37-V40 PolarHBondContact O-N 2.75Å; V40-S42 VanDerWaalsContact C-N 3.28Å; V40-S42 PolarHBondContact O-N 2.95Å; V40-V43 PolarHBondContact O-N 2.93Å; V40-V44 HydrophobicContact CG1-CG2 3.9Å; V40-V44 WeakPolarHBondContact O-CG2 3.22Å; V40-V44 PolarHBondContact O-N 3.42Å; V40-I119 HydrophobicContact CG1-CD1 4.32Å
41R96.4Very high96.1Very high93 Ų9343 Ų4335%0.35121%0.214SC..Hα-helixtrans-49.2-49.7172.6165.3178-94.8-168.5-7111.3A37 E39 V43 V44 E45 T101 I103 I119A37-R41 WeakPolarHBondContact O-CB 3.44Å; A37-R41 PolarHBondContact O-N 2.88Å; E39-R41 PolarHBondContact O-N 3.48Å; R41-V43 PolarHBondContact O-N 2.71Å; R41-V44 PolarHBondContact O-N 3Å; R41-E45 HydrophobicContact CG-CG 4.31Å; R41-E45 IonicContact NE-OE1 3.65Å; R41-E45 WeakPolarHBondContact O-CB 3.43Å; R41-E45 WeakPolarHBondContact O-CG 3.44Å; R41-E45 PolarHBondContact O-N 3.06Å; R41-T101 VanDerWaalsContact CG-OG1 3.31Å; R41-T101 WeakPolarHBondContact CG-OG1 3.05Å; R41-T101 PolarHBondContact NE-OG1 3.44Å; R41-T101 PolarHBondContact NH2-O 3.21Å; R41-I103 HydrophobicContact CB-CD1 4.49Å; R41-I119 HydrophobicContact CB-CD1 4Å
42S95.1Very high96.1Very high51 Ų5140.6 Ų40.636%0.35720%0.202SC..Hα-helixtrans-63.8-28-177.978.40000113.9E39 V40 K46E39-S42 PolarHBondContact O-N 2.82Å; E39-S42 PolarHBondContact O-OG 2.79Å; V40-S42 VanDerWaalsContact C-N 3.28Å; V40-S42 PolarHBondContact O-N 2.95Å; S42-K46 WeakPolarHBondContact O-CD 3.13Å; S42-K46 WeakPolarHBondContact O-CG 3.3Å
43V96Very high96Very high30 Ų3046.8 Ų46.818%0.18223%0.228CC..Hα-helixtrans-82-48.5177.8176.50000110.1L17 A21 E39 V40 R41 K46 L47 T65L17-V43 HydrophobicContact CD1-CG2 4.48Å; A21-V43 HydrophobicContact CB-CG1 4.08Å; E39-V43 PolarHBondContact O-N 3.4Å; V40-V43 PolarHBondContact O-N 2.93Å; R41-V43 PolarHBondContact O-N 2.71Å; V43-K46 PolarHBondContact O-N 3.41Å; V43-L47 HydrophobicContact CG1-CD1 4.16Å; V43-L47 WeakPolarHBondContact O-CG 3.4Å; V43-L47 PolarHBondContact O-N 2.79Å; V43-L47 VanDerWaalsContact O-N 3.08Å; V43-T65 HydrophobicContact CG1-CG2 3.93Å
44V97Very high95.8Very high0 Ų047.5 Ų47.50%024%0.24CC..Hα-helixtrans-69.4-38.3-174.4171.80000111.9A21 L24 I25 V40 R41 K46 L47 I48 T101 L121A21-V44 HydrophobicContact CB-CG2 3.74Å; L24-V44 HydrophobicContact CD2-CB 4.35Å; L24-V44 HydrophobicContact CD2-CG1 4.12Å; L24-V44 HydrophobicContact CD2-CG2 4.08Å; I25-V44 HydrophobicContact CD1-CG1 4.14Å; V40-V44 HydrophobicContact CG1-CG2 3.9Å; V40-V44 WeakPolarHBondContact O-CG2 3.22Å; V40-V44 PolarHBondContact O-N 3.42Å; R41-V44 PolarHBondContact O-N 3Å; V44-K46 VanDerWaalsContact C-N 3.26Å; V44-K46 PolarHBondContact O-N 2.94Å; V44-L47 WeakPolarHBondContact O-CB 3.31Å; V44-L47 PolarHBondContact O-N 3.17Å; V44-L47 VanDerWaalsContact O-N 3.08Å; V44-I48 HydrophobicContact CG1-CD1 3.89Å; V44-I48 HydrophobicContact CG1-CG1 4.35Å; V44-I48 WeakPolarHBondContact O-CG1 3.46Å; V44-I48 PolarHBondContact O-N 3.08Å; V44-T101 HydrophobicContact CG1-CG2 4.13Å; V44-L121 HydrophobicContact CG1-CD2 4.12Å
45E96.3Very high95.8Very high49 Ų4948.8 Ų48.823%0.22925%0.248CC..Hα-helixtrans-62.3-35.5175.7-71.4-176.5176.600112.5R41 T49 Y100 T101R41-E45 HydrophobicContact CG-CG 4.31Å; R41-E45 IonicContact NE-OE1 3.65Å; R41-E45 WeakPolarHBondContact O-CB 3.43Å; R41-E45 WeakPolarHBondContact O-CG 3.44Å; R41-E45 PolarHBondContact O-N 3.06Å; E45-T49 WeakPolarHBondContact O-CB 3.45Å; E45-T49 PolarHBondContact O-N 2.98Å; E45-T49 PolarHBondContact O-OG1 3.47Å; E45-Y100 HydrophobicContact CB-CD2 4.19Å; E45-Y100 HydrophobicContact CG-CD2 4.13Å; E45-T101 HydrophobicContact CG-CG2 4.27Å; E45-T101 PolarHBondContact OE1-OG1 3.16Å
46K95.8Very high95.9Very high142 Ų14251.8 Ų51.862%0.61726%0.257SS*.Hα-helixtrans-68.7-39173.4-68.5177-174.9178.60111.8S42 V43 V44 T49 L50S42-K46 WeakPolarHBondContact O-CD 3.13Å; S42-K46 WeakPolarHBondContact O-CG 3.3Å; V43-K46 PolarHBondContact O-N 3.41Å; V44-K46 VanDerWaalsContact C-N 3.26Å; V44-K46 PolarHBondContact O-N 2.94Å; K46-T49 WeakPolarHBondContact O-CB 3.14Å; K46-T49 PolarHBondContact O-N 3.27Å; K46-L50 WeakPolarHBondContact O-CG 3.4Å; K46-L50 PolarHBondContact O-N 3.42Å
47L96.7Very high96Very high5 Ų550.4 Ų50.43%0.02626%0.263CS..Hα-helixtrans-63.4-44.5176.1-71.4172.8000111.6A21 V43 V44 T49 L50 G51 A62 T65 L66 L85A21-L47 HydrophobicContact CB-CD1 4.25Å; V43-L47 HydrophobicContact CG1-CD1 4.16Å; V43-L47 WeakPolarHBondContact O-CG 3.4Å; V43-L47 PolarHBondContact O-N 2.79Å; V43-L47 VanDerWaalsContact O-N 3.08Å; V44-L47 WeakPolarHBondContact O-CB 3.31Å; V44-L47 PolarHBondContact O-N 3.17Å; V44-L47 VanDerWaalsContact O-N 3.08Å; L47-T49 VanDerWaalsContact C-N 3.31Å; L47-T49 PolarHBondContact O-N 2.9Å; L47-L50 WeakPolarHBondContact O-CB 3.38Å; L47-L50 PolarHBondContact O-N 3.37Å; L47-L50 VanDerWaalsContact O-N 3.15Å; L47-G51 PolarHBondContact O-N 3.07Å; L47-A62 HydrophobicContact CD2-CB 3.96Å; L47-T65 HydrophobicContact CD1-CG2 4.33Å; L47-L66 HydrophobicContact CD1-CD2 3.94Å; L47-L66 HydrophobicContact CD1-CG 4.21Å; L47-L85 HydrophobicContact CB-CD1 4.44Å; L47-L85 HydrophobicContact CB-CD2 4.01Å
48I96.5Very high95.9Very high0 Ų050.6 Ų50.60%027%0.265CS..Hα-helixtrans-63.2-40.6176.4-65.5170.6000110.6V44 L50 G51 K52 L85 I89 Y93 Y100 L121V44-I48 HydrophobicContact CG1-CD1 3.89Å; V44-I48 HydrophobicContact CG1-CG1 4.35Å; V44-I48 WeakPolarHBondContact O-CG1 3.46Å; V44-I48 PolarHBondContact O-N 3.08Å; I48-L50 VanDerWaalsContact C-N 3.3Å; I48-L50 PolarHBondContact O-N 3.15Å; I48-G51 WeakPolarHBondContact O-CA 3.49Å; I48-G51 PolarHBondContact O-N 2.87Å; I48-K52 WeakPolarHBondContact O-CG 3.28Å; I48-K52 PolarHBondContact O-N 2.87Å; I48-L85 HydrophobicContact CG1-CD1 4.04Å; I48-I89 HydrophobicContact CD1-CG2 4.22Å; I48-I89 HydrophobicContact CG1-CG2 3.96Å; I48-Y93 HydrophobicContact CD1-CD2 4.27Å; I48-Y93 HydrophobicContact CD1-CE2 4.05Å; I48-Y93 HydrophobicContact CG2-CD2 3.68Å; I48-Y93 HydrophobicContact CG2-CG 4.23Å; I48-Y100 HydrophobicContact CB-CD2 3.86Å; I48-Y100 HydrophobicContact CB-CE2 4.23Å; I48-Y100 HydrophobicContact CB-CG 4.23Å; I48-Y100 HydrophobicContact CD1-CD2 4.25Å; I48-Y100 HydrophobicContact CD1-CG 4Å; I48-Y100 HydrophobicContact CG2-CD1 3.96Å; I48-Y100 HydrophobicContact CG2-CD2 3.7Å; I48-Y100 HydrophobicContact CG2-CE1 4.14Å; I48-Y100 HydrophobicContact CG2-CE2 3.86Å; I48-Y100 HydrophobicContact CG2-CG 3.75Å; I48-L121 HydrophobicContact CD1-CD2 3.9Å
49T96.6Very high95.9Very high64 Ų6451.9 Ų51.939%0.39327%0.267SS..Hα-helixtrans-60.4-38.9174.5-54.70000112.2E45 K46 L47E45-T49 WeakPolarHBondContact O-CB 3.45Å; E45-T49 PolarHBondContact O-N 2.98Å; E45-T49 PolarHBondContact O-OG1 3.47Å; K46-T49 WeakPolarHBondContact O-CB 3.14Å; K46-T49 PolarHBondContact O-N 3.27Å; L47-T49 VanDerWaalsContact C-N 3.31Å; L47-T49 PolarHBondContact O-N 2.9Å
50L96.4Very high95.9Very high38 Ų3859 Ų5920%0.19929%0.293CS..Hα-helixtrans-67.6-40.2172.1-69.9175.4000111.7K46 L47 I48 K52 K53 S58 N61 F86K46-L50 WeakPolarHBondContact O-CG 3.4Å; K46-L50 PolarHBondContact O-N 3.42Å; L47-L50 WeakPolarHBondContact O-CB 3.38Å; L47-L50 PolarHBondContact O-N 3.37Å; L47-L50 VanDerWaalsContact O-N 3.15Å; I48-L50 VanDerWaalsContact C-N 3.3Å; I48-L50 PolarHBondContact O-N 3.15Å; L50-K52 VanDerWaalsContact C-N 3.35Å; L50-K52 PolarHBondContact O-N 3.5Å; L50-K53 WeakPolarHBondContact O-CB 3.49Å; L50-K53 PolarHBondContact O-N 3.36Å; L50-K53 VanDerWaalsContact O-N 3.16Å; L50-S58 WeakPolarHBondContact O-CB 3.43Å; L50-N61 HydrophobicContact CD1-CB 4.12Å; L50-F86 VanDerWaalsContact O-CE1 3.31Å; L50-F86 WeakPolarHBondContact O-CE1 3.42Å
51G96.2Very high95.9Very high3 Ų362.2 Ų62.23%0.03131%0.311CS..Hα-helixtrans-52.3-51.517400000111.9L47 I48 K53 G54 F86L47-G51 PolarHBondContact O-N 3.07Å; I48-G51 WeakPolarHBondContact O-CA 3.49Å; I48-G51 PolarHBondContact O-N 2.87Å; G51-K53 PolarHBondContact O-N 3.41Å; G51-G54 PolarHBondContact O-N 2.65Å; G51-G54 VanDerWaalsContact O-N 3.1Å; G51-F86 WeakPolarHBondContact O-CD1 3.4Å
52K95.5Very high96Very high71 Ų7157.8 Ų57.831%0.30929%0.294SS..Hα-helixtrans-59.2-28.8178.3-69.6-177.762.8161.10114.6I48 L50 G54 Y93 T94 R96I48-K52 WeakPolarHBondContact O-CG 3.28Å; I48-K52 PolarHBondContact O-N 2.87Å; L50-K52 VanDerWaalsContact C-N 3.35Å; L50-K52 PolarHBondContact O-N 3.5Å; K52-G54 VanDerWaalsContact C-N 3.35Å; K52-Y93 WeakPolarHBondContact CD-O 3.5Å; K52-Y93 WeakPolarHBondContact CE-O 3.43Å; K52-Y93 PolarHBondContact NZ-O 3.05Å; K52-T94 VanDerWaalsContact CE-O 3.31Å; K52-T94 WeakPolarHBondContact CE-O 3.46Å; K52-T94 PolarHBondContact NZ-O 3.32Å; K52-R96 PolarHBondContact NZ-O 3.15Å
53K94.8Very high96Very high140 Ų14057.7 Ų57.761%0.60930%0.296SS*.Hα-helixtrans-71.9-29.8177.9-71.1-177.7178.2-170.80112.5L50 G51 D55L50-K53 WeakPolarHBondContact O-CB 3.49Å; L50-K53 PolarHBondContact O-N 3.36Å; L50-K53 VanDerWaalsContact O-N 3.16Å; G51-K53 PolarHBondContact O-N 3.41Å; K53-D55 PolarHBondContact O-N 2.83Å
54G92.5Very high95.9Very high38 Ų3862.9 Ų62.939%0.39232%0.317SS..  trans69.4-12.2174.700000117.3G51 K52G51-G54 PolarHBondContact O-N 2.65Å; G51-G54 VanDerWaalsContact O-N 3.1Å; K52-G54 VanDerWaalsContact C-N 3.35Å
55D95.5Very high95.8Very high77 Ų7765 Ų6541%0.41233%0.33SS..  trans-72.6161.6-175.473.3-0.8000114.2K53 A57 S58 R59K53-D55 PolarHBondContact O-N 2.83Å; D55-A57 VanDerWaalsContact C-N 3.25Å; D55-A57 PolarHBondContact O-N 3.01Å; D55-S58 PolarHBondContact O-N 3.38Å; D55-S58 WeakPolarHBondContact OD1-CA 3.34Å; D55-S58 WeakPolarHBondContact OD1-CB 3.13Å; D55-S58 PolarHBondContact OD1-N 2.71Å; D55-S58 PolarHBondContact OD1-OG 2.96Å; D55-R59 PolarHBondContact O-N 2.59Å
56L96.1Very high95.7Very high108 Ų10863 Ų6357%0.56532%0.32SS*.Hα-helixtrans-62-34.4-179.9-178.161.1000112.2R59 R60L56-R59 PolarHBondContact O-N 2.84Å; L56-R60 WeakPolarHBondContact O-CG 3.39Å; L56-R60 PolarHBondContact O-N 2.49Å
57A97Very high95.6Very high52 Ų5261.2 Ų61.243%0.4331%0.31SS..Hα-helixtrans-65.4-42.5177.800000111.6D55 R60 N61D55-A57 VanDerWaalsContact C-N 3.25Å; D55-A57 PolarHBondContact O-N 3.01Å; A57-R60 PolarHBondContact O-N 2.89Å; A57-N61 WeakPolarHBondContact O-CB 3.49Å; A57-N61 PolarHBondContact O-N 3.36Å; A57-N61 PolarHBondContact O-ND2 2.9Å
58S96.6Very high95.4Very high4 Ų467.5 Ų67.53%0.02834%0.343CS..Hα-helixtrans-65.2-42.1176.1-63.50000111.1L50 D55 R60 N61 A62L50-S58 WeakPolarHBondContact O-CB 3.43Å; D55-S58 PolarHBondContact O-N 3.38Å; D55-S58 WeakPolarHBondContact OD1-CA 3.34Å; D55-S58 WeakPolarHBondContact OD1-CB 3.13Å; D55-S58 PolarHBondContact OD1-N 2.71Å; D55-S58 PolarHBondContact OD1-OG 2.96Å; S58-R60 PolarHBondContact O-N 2.99Å; S58-N61 PolarHBondContact O-N 3.38Å; S58-A62 WeakPolarHBondContact O-CB 3.24Å; S58-A62 PolarHBondContact O-N 3.4Å
59R95.5Very high95Very high110 Ų11070.2 Ų70.242%0.41536%0.36SS..Hα-helixtrans-57.9-47.2173.9-70.6179.5-178.8-119.2-1111.8D55 L56 N61 A62 A63 F86D55-R59 PolarHBondContact O-N 2.59Å; L56-R59 PolarHBondContact O-N 2.84Å; R59-N61 VanDerWaalsContact C-N 3.34Å; R59-N61 PolarHBondContact O-N 3.19Å; R59-A62 PolarHBondContact O-N 3.07Å; R59-A63 WeakPolarHBondContact O-CB 3.3Å; R59-A63 PolarHBondContact O-N 3.14Å; R59-F86 HydrophobicContact CB-CE2 4.4Å; R59-F86 HydrophobicContact CB-CZ 4.2Å; R59-F86 HydrophobicContact CG-CD1 3.8Å; R59-F86 HydrophobicContact CG-CD2 4.11Å; R59-F86 HydrophobicContact CG-CE1 3.57Å; R59-F86 HydrophobicContact CG-CE2 3.92Å; R59-F86 HydrophobicContact CG-CG 4.07Å; R59-F86 HydrophobicContact CG-CZ 3.66Å
60R96Very high94.5Very high163 Ų16373.8 Ų73.862%0.61537%0.372SS*.Hα-helixtrans-62.2-38.3176.2-72.2174.2-179.2175.30.4112.7L56 A57 S58 K64L56-R60 WeakPolarHBondContact O-CG 3.39Å; L56-R60 PolarHBondContact O-N 2.49Å; A57-R60 PolarHBondContact O-N 2.89Å; S58-R60 PolarHBondContact O-N 2.99Å; R60-K64 WeakPolarHBondContact O-CG 3.18Å; R60-K64 PolarHBondContact O-N 3.35Å
61N96.4Very high94.1Very high69 Ų6972.9 Ų72.937%0.36937%0.367SS..Hα-helixtrans-72.5-40179.3-75.6-34.7000112.6L50 A57 S58 R59 K64L50-N61 HydrophobicContact CD1-CB 4.12Å; A57-N61 WeakPolarHBondContact O-CB 3.49Å; A57-N61 PolarHBondContact O-N 3.36Å; A57-N61 PolarHBondContact O-ND2 2.9Å; S58-N61 PolarHBondContact O-N 3.38Å; R59-N61 VanDerWaalsContact C-N 3.34Å; R59-N61 PolarHBondContact O-N 3.19Å; N61-K64 WeakPolarHBondContact O-CB 3.26Å; N61-K64 PolarHBondContact O-N 3.45Å; N61-K64 PolarHBondContact OD1-NZ 3.43Å
62A96.6Very high93.7Very high0 Ų079.5 Ų79.50%040%0.401CS..Hα-helixtrans-64.3-41.4174.300000111.6L47 S58 R59 K64 T65 L66 L82 L85 F86L47-A62 HydrophobicContact CD2-CB 3.96Å; S58-A62 WeakPolarHBondContact O-CB 3.24Å; S58-A62 PolarHBondContact O-N 3.4Å; R59-A62 PolarHBondContact O-N 3.07Å; A62-K64 PolarHBondContact O-N 3.04Å; A62-T65 PolarHBondContact O-N 2.98Å; A62-L66 PolarHBondContact O-N 3.08Å; A62-L82 HydrophobicContact CB-CD1 3.74Å; A62-L85 HydrophobicContact CB-CD2 4.17Å; A62-F86 HydrophobicContact CB-CE2 3.71Å; A62-F86 HydrophobicContact CB-CZ 4.12Å
63A95.4Very high93.2Very high49 Ų4978.1 Ų78.141%0.40540%0.397SS..Hα-helixtrans-60.4-24.8177.900000114.1R59 T65 L82R59-A63 WeakPolarHBondContact O-CB 3.3Å; R59-A63 PolarHBondContact O-N 3.14Å; A63-T65 PolarHBondContact O-N 3.49Å; A63-L82 HydrophobicContact CB-CD1 4.37Å; A63-L82 HydrophobicContact CB-CD2 4.21Å
64K94.8Very high92.7Very high139 Ų13981 Ų8160%0.60441%0.413SS*.THydrogen-bonded Turntrans-67.2-26.3173.1-67.5169.4-174.9167.60112.8R18 R60 N61 A62R18-K64 PolarHBondContact NH2-O 3.07Å; R60-K64 WeakPolarHBondContact O-CG 3.18Å; R60-K64 PolarHBondContact O-N 3.35Å; N61-K64 WeakPolarHBondContact O-CB 3.26Å; N61-K64 PolarHBondContact O-N 3.45Å; N61-K64 PolarHBondContact OD1-NZ 3.43Å; A62-K64 PolarHBondContact O-N 3.04Å
65T94.8Very high92.3Very high45 Ų4585.6 Ų85.628%0.27643%0.428SS..THydrogen-bonded Turntrans-102.2-49.9-174.3-53.70000111.1R18 V43 L47 A62 A63R18-T65 VanDerWaalsContact CB-O 3.31Å; R18-T65 WeakPolarHBondContact CB-O 3.37Å; R18-T65 HydrophobicContact CG-CG2 4.28Å; R18-T65 WeakPolarHBondContact CG-O 3.42Å; R18-T65 PolarHBondContact NE-O 3.14Å; V43-T65 HydrophobicContact CG1-CG2 3.93Å; L47-T65 HydrophobicContact CD1-CG2 4.33Å; A62-T65 PolarHBondContact O-N 2.98Å; A63-T65 PolarHBondContact O-N 3.49Å
66L94.7Very high91.8Very high5 Ų590.7 Ų90.73%0.02645%0.449CS..SBendtrans-65.6152.1178.2-69.8176.8000111.2R18 I25 L47 A62 L82 L85R18-L66 PolarHBondContact NH2-O 2.84Å; I25-L66 HydrophobicContact CG1-CD2 4.31Å; L47-L66 HydrophobicContact CD1-CD2 3.94Å; L47-L66 HydrophobicContact CD1-CG 4.21Å; A62-L66 PolarHBondContact O-N 3.08Å; L66-L82 HydrophobicContact CD1-CB 4.5Å; L66-L82 HydrophobicContact CD1-CD1 4.15Å; L66-L85 HydrophobicContact CD1-CB 4.4Å; L66-L85 HydrophobicContact CD1-CD2 3.81Å
67R93.7Very high91.4Very high106 Ų10688.9 Ų88.940%0.444%0.443SS..  trans-88.6151.2168.1-67.3-164.9179.9-124.116.3109.9D19 T22 V69D19-R67 IonicContact OD1-CZ 2.99Å; D19-R67 IonicContact OD1-NE 2.71Å; D19-R67 PolarHBondContact OD1-NE 3.45Å; D19-R67 IonicContact OD1-NH2 3.4Å; D19-R67 PolarHBondContact OD1-NH2 2.96Å; D19-R67 IonicContact OD2-NH2 2.72Å; T22-R67 HydrophobicContact CG2-CB 4.24Å; T22-R67 PolarHBondContact OG1-N 3.48Å; T22-R67 VanDerWaalsContact OG1-N 3.11Å; R67-V69 VanDerWaalsContact C-N 3.29Å; R67-V69 HydrophobicContact CB-CG2 3.85Å; R67-V69 PolarHBondContact O-N 3.37Å
68N91.1Very high91Very high136 Ų13689.9 Ų89.973%0.72744%0.444SS*.  trans-77.587.5170.5-166.429.8000108.2T80N68-T80 WeakPolarHBondContact OD1-CG2 3.27Å
69V88.5Confident90.8Very high57 Ų5790.7 Ų90.735%0.34545%0.447SS..  trans-117.4128.6176.9179.80000107T22 I26 R67 T80 A81T22-V69 HydrophobicContact CG2-CB 4.26Å; T22-V69 HydrophobicContact CG2-CG2 3.95Å; I26-V69 HydrophobicContact CD1-CB 4.05Å; I26-V69 HydrophobicContact CD1-CG1 3.71Å; R67-V69 VanDerWaalsContact C-N 3.29Å; R67-V69 HydrophobicContact CB-CG2 3.85Å; R67-V69 PolarHBondContact O-N 3.37Å; V69-T80 WeakPolarHBondContact O-CA 3.36Å; V69-A81 PolarHBondContact O-N 3.16Å
70E87Confident90.7Very high139 Ų13986.7 Ų86.765%0.6544%0.435SS*.EExtended strand (participates in β ladder)trans-83.8131.3176.2-71.8179.117300109.7T78E70-T78 HydrophobicContact CB-CG2 3.6Å; E70-T78 HydrophobicContact CG-CG2 3.67Å
71I87.7Confident90.6Very high19 Ų1978.9 Ų78.910%0.09741%0.406CS..EExtended strand (participates in β ladder)trans-107124.1175.8-50.2171.4000105.6I26 T78 Q79 K84I26-I71 HydrophobicContact CB-CD1 4.3Å; I26-I71 HydrophobicContact CD1-CG1 4.39Å; I26-I71 HydrophobicContact CG1-CD1 3.74Å; I26-I71 HydrophobicContact CG1-CG1 3.91Å; I26-I71 HydrophobicContact CG2-CD1 4.22Å; I26-I71 HydrophobicContact CG2-CG1 4.11Å; I26-I71 HydrophobicContact CG2-CG2 4.47Å; I71-T78 WeakPolarHBondContact O-CA 3.41Å; I71-Q79 WeakPolarHBondContact CA-O 3.35Å; I71-Q79 HydrophobicContact CB-CG 3.97Å; I71-Q79 VanDerWaalsContact CB-O 3.27Å; I71-Q79 WeakPolarHBondContact CB-O 3.39Å; I71-Q79 HydrophobicContact CD1-CG 4.24Å; I71-Q79 WeakPolarHBondContact CG1-O 3.49Å; I71-Q79 PolarHBondContact N-O 3.28Å; I71-Q79 PolarHBondContact O-N 2.94Å; I71-K84 HydrophobicContact CD1-CB 4.12Å; I71-K84 HydrophobicContact CD1-CD 3.83Å
72L86.8Confident90.6Very high143 Ų14377.9 Ų77.975%0.74940%0.4SS*.EExtended strand (participates in β ladder)trans-84.5114.1170-64.3172000107.6
73N85.1Confident90.5Very high42 Ų4282.7 Ų82.723%0.22542%0.422CS..  trans-80164.6172.3-65-28.2000110.1D75 E76 T77 Q79N73-D75 PolarHBondContact O-N 3.32Å; N73-E76 PolarHBondContact O-N 2.58Å; N73-T77 WeakPolarHBondContact CB-O 3.4Å; N73-T77 PolarHBondContact N-O 3.39Å; N73-T77 PolarHBondContact ND2-OG1 3.02Å; N73-T77 VanDerWaalsContact ND2-OG1 3.14Å; N73-Q79 WeakPolarHBondContact ND2-CG 3.34Å; N73-Q79 PolarHBondContact ND2-NE2 2.87Å; N73-Q79 PolarHBondContact OD1-NE2 3.49Å
74E84Confident90.5Very high200 Ų20081.3 Ų81.394%0.93541%0.407SS*.THydrogen-bonded Turntrans-59.9-30.5176.9-63.7179.717400112.2E76E74-E76 PolarHBondContact O-N 3.11Å; E74-E76 VanDerWaalsContact O-N 3.14Å
75D86Confident90.5Very high134 Ų13474.7 Ų74.772%0.71738%0.379SS*.THydrogen-bonded Turntrans-79.517.6179.9-54.4-44.8000114.4N73 T77N73-D75 PolarHBondContact O-N 3.32Å; D75-T77 HydrophobicContact CB-CG2 4.36Å; D75-T77 PolarHBondContact O-N 2.95Å
76E83.8Confident90.6Very high184 Ų18473.6 Ų73.686%0.8637%0.37SS*.SBendtrans59.14.9-172.2-55.2-174.7156.100114.9N73 E74N73-E76 PolarHBondContact O-N 2.58Å; E74-E76 PolarHBondContact O-N 3.11Å; E74-E76 VanDerWaalsContact O-N 3.14Å
77T88.4Confident90.6Very high71 Ų7174.9 Ų74.944%0.43639%0.385SS..  trans-77.6143.1174.960.50000110.9N73 D75N73-T77 WeakPolarHBondContact CB-O 3.4Å; N73-T77 PolarHBondContact N-O 3.39Å; N73-T77 PolarHBondContact ND2-OG1 3.02Å; N73-T77 VanDerWaalsContact ND2-OG1 3.14Å; D75-T77 HydrophobicContact CB-CG2 4.36Å; D75-T77 PolarHBondContact O-N 2.95Å
78T89.2Confident90.6Very high72 Ų7273.7 Ų73.744%0.44238%0.384SS..EExtended strand (participates in β ladder)trans-100.2127.3174.3-57.10000109.7E70 I71E70-T78 HydrophobicContact CB-CG2 3.6Å; E70-T78 HydrophobicContact CG-CG2 3.67Å; I71-T78 WeakPolarHBondContact O-CA 3.41Å
79Q91.8Very high90.8Very high22 Ų2267.2 Ų67.210%0.10335%0.349CS..EExtended strand (participates in β ladder)trans-126.1145.1170.266.5172.8-30.400111.6I71 N73 Q83 E88I71-Q79 WeakPolarHBondContact CA-O 3.35Å; I71-Q79 HydrophobicContact CB-CG 3.97Å; I71-Q79 VanDerWaalsContact CB-O 3.27Å; I71-Q79 WeakPolarHBondContact CB-O 3.39Å; I71-Q79 HydrophobicContact CD1-CG 4.24Å; I71-Q79 WeakPolarHBondContact CG1-O 3.49Å; I71-Q79 PolarHBondContact N-O 3.28Å; I71-Q79 PolarHBondContact O-N 2.94Å; N73-Q79 WeakPolarHBondContact ND2-CG 3.34Å; N73-Q79 PolarHBondContact ND2-NE2 2.87Å; N73-Q79 PolarHBondContact OD1-NE2 3.49Å; Q79-Q83 HydrophobicContact CB-CB 4.3Å; Q79-E88 PolarHBondContact NE2-OE1 2.7Å
80T93.8Very high91.1Very high25 Ų2565 Ų6515%0.15334%0.336CS..EExtended strand (participates in β ladder)trans-81.2155.8172.859.50000110.5N68 V69 L82 Q83 K84N68-T80 WeakPolarHBondContact OD1-CG2 3.27Å; V69-T80 WeakPolarHBondContact O-CA 3.36Å; T80-L82 PolarHBondContact O-N 2.98Å; T80-L82 VanDerWaalsContact O-N 3.08Å; T80-Q83 WeakPolarHBondContact O-CB 3.28Å; T80-Q83 PolarHBondContact O-N 3.48Å; T80-Q83 WeakPolarHBondContact OG1-CG 3.45Å; T80-Q83 PolarHBondContact OG1-N 3.43Å; T80-Q83 VanDerWaalsContact OG1-N 3.16Å; T80-Q83 PolarHBondContact OG1-OE1 2.99Å; T80-K84 PolarHBondContact O-N 3.14Å
81A93.4Very high91.6Very high0 Ų065.4 Ų65.40%034%0.338CS..Hα-helixtrans-54.6-29.3170.500000113T22 I25 I26 V69 L85T22-A81 HydrophobicContact CG2-CB 3.88Å; I25-A81 HydrophobicContact CG2-CB 4.2Å; I25-A81 WeakPolarHBondContact CG2-O 3.41Å; I26-A81 HydrophobicContact CD1-CB 4.48Å; I26-A81 HydrophobicContact CG1-CB 4.12Å; V69-A81 PolarHBondContact O-N 3.16Å; A81-L85 WeakPolarHBondContact O-CB 3.2Å; A81-L85 PolarHBondContact O-N 3.24Å
82L95.3Very high91.9Very high47 Ų4770 Ų7025%0.24636%0.355CS..Hα-helixtrans-68.3-43.3173.8-17274.6000111.6A62 A63 L66 T80 L85 F86A62-L82 HydrophobicContact CB-CD1 3.74Å; A63-L82 HydrophobicContact CB-CD1 4.37Å; A63-L82 HydrophobicContact CB-CD2 4.21Å; L66-L82 HydrophobicContact CD1-CB 4.5Å; L66-L82 HydrophobicContact CD1-CD1 4.15Å; T80-L82 PolarHBondContact O-N 2.98Å; T80-L82 VanDerWaalsContact O-N 3.08Å; L82-L85 PolarHBondContact O-N 2.73Å; L82-F86 HydrophobicContact CD1-CD2 4.03Å; L82-F86 HydrophobicContact CD1-CE2 3.78Å; L82-F86 HydrophobicContact CG-CD2 4.28Å; L82-F86 HydrophobicContact CG-CE2 4.47Å; L82-F86 WeakPolarHBondContact O-CD2 3.4Å; L82-F86 PolarHBondContact O-N 2.99Å
83Q94.7Very high92.4Very high102 Ų10263.3 Ų63.348%0.47732%0.319SS..Hα-helixtrans-63.8-46.8176.2-77.2162.1-45.200111.1Q79 T80 L85 F86 G87Q79-Q83 HydrophobicContact CB-CB 4.3Å; T80-Q83 WeakPolarHBondContact O-CB 3.28Å; T80-Q83 PolarHBondContact O-N 3.48Å; T80-Q83 WeakPolarHBondContact OG1-CG 3.45Å; T80-Q83 PolarHBondContact OG1-N 3.43Å; T80-Q83 VanDerWaalsContact OG1-N 3.16Å; T80-Q83 PolarHBondContact OG1-OE1 2.99Å; Q83-L85 VanDerWaalsContact C-N 3.29Å; Q83-L85 PolarHBondContact O-N 2.99Å; Q83-F86 PolarHBondContact O-N 3.49Å; Q83-G87 PolarHBondContact O-N 3.09Å
84K95.1Very high92.8Very high20 Ų2065.7 Ų65.79%0.08734%0.336CS..Hα-helixtrans-57.2-41.2175.7-174.3168.3178.6171.60112.6I25 I26 E28 I71 T80 E88 I89I25-K84 WeakPolarHBondContact O-CE 3.22Å; I26-K84 PolarHBondContact O-NZ 2.98Å; E28-K84 WeakPolarHBondContact OE1-CE 3.5Å; E28-K84 IonicContact OE1-NZ 3.62Å; E28-K84 PolarHBondContact OE1-NZ 3.29Å; E28-K84 VanDerWaalsContact OE1-NZ 3.14Å; I71-K84 HydrophobicContact CD1-CB 4.12Å; I71-K84 HydrophobicContact CD1-CD 3.83Å; T80-K84 PolarHBondContact O-N 3.14Å; K84-E88 VanDerWaalsContact CE-OE2 3.31Å; K84-E88 WeakPolarHBondContact CE-OE2 3.28Å; K84-E88 PolarHBondContact O-N 3.01Å; K84-I89 HydrophobicContact CG-CD1 4.1Å; K84-I89 HydrophobicContact CG-CG1 4.3Å; K84-I89 PolarHBondContact O-N 3.14Å; K84-I89 VanDerWaalsContact O-N 3.15Å
85L95.8Very high93.3Very high0 Ų065.1 Ų65.10%033%0.333CS..Iπ-helixtrans-61.7-44.7176.9177.267.7000112.9I25 L47 I48 A62 L66 A81 L82 Q83 I89 A90I25-L85 HydrophobicContact CD1-CD1 3.85Å; I25-L85 HydrophobicContact CG2-CB 4.36Å; L47-L85 HydrophobicContact CB-CD1 4.44Å; L47-L85 HydrophobicContact CB-CD2 4.01Å; I48-L85 HydrophobicContact CG1-CD1 4.04Å; A62-L85 HydrophobicContact CB-CD2 4.17Å; L66-L85 HydrophobicContact CD1-CB 4.4Å; L66-L85 HydrophobicContact CD1-CD2 3.81Å; A81-L85 WeakPolarHBondContact O-CB 3.2Å; A81-L85 PolarHBondContact O-N 3.24Å; L82-L85 PolarHBondContact O-N 2.73Å; Q83-L85 VanDerWaalsContact C-N 3.29Å; Q83-L85 PolarHBondContact O-N 2.99Å; L85-I89 HydrophobicContact CD1-CG2 4.25Å; L85-A90 VanDerWaalsContact O-CB 3.28Å; L85-A90 WeakPolarHBondContact O-CB 3.44Å; L85-A90 PolarHBondContact O-N 3.35Å; L85-A90 VanDerWaalsContact O-N 3.1Å
86F96.3Very high93.7Very high21 Ų2164.1 Ų64.19%0.09232%0.319CS..Iπ-helixtrans-88.9-9.1-175.9-81.1-89.7000114L50 G51 R59 A62 L82 Q83L50-F86 VanDerWaalsContact O-CE1 3.31Å; L50-F86 WeakPolarHBondContact O-CE1 3.42Å; G51-F86 WeakPolarHBondContact O-CD1 3.4Å; R59-F86 HydrophobicContact CB-CE2 4.4Å; R59-F86 HydrophobicContact CB-CZ 4.2Å; R59-F86 HydrophobicContact CG-CD1 3.8Å; R59-F86 HydrophobicContact CG-CD2 4.11Å; R59-F86 HydrophobicContact CG-CE1 3.57Å; R59-F86 HydrophobicContact CG-CE2 3.92Å; R59-F86 HydrophobicContact CG-CG 4.07Å; R59-F86 HydrophobicContact CG-CZ 3.66Å; A62-F86 HydrophobicContact CB-CE2 3.71Å; A62-F86 HydrophobicContact CB-CZ 4.12Å; L82-F86 HydrophobicContact CD1-CD2 4.03Å; L82-F86 HydrophobicContact CD1-CE2 3.78Å; L82-F86 HydrophobicContact CG-CD2 4.28Å; L82-F86 HydrophobicContact CG-CE2 4.47Å; L82-F86 WeakPolarHBondContact O-CD2 3.4Å; L82-F86 PolarHBondContact O-N 2.99Å; Q83-F86 PolarHBondContact O-N 3.49Å
87G95.1Very high94Very high33 Ų3364.6 Ų64.634%0.3432%0.321SS..Iπ-helixtrans-101.8-106.3170.500000110.3Q83 I89 A90 E91Q83-G87 PolarHBondContact O-N 3.09Å; G87-I89 VanDerWaalsContact C-N 3.33Å; G87-I89 PolarHBondContact O-N 3.22Å; G87-I89 VanDerWaalsContact O-N 3.14Å; G87-A90 PolarHBondContact O-N 2.9Å; G87-A90 VanDerWaalsContact O-N 3.13Å; G87-E91 PolarHBondContact O-N 2.81Å
88E94.3Very high94.3Very high81 Ų8162.6 Ų62.638%0.37932%0.315SS..Iπ-helixtrans-43.4-50.5-173.7-62.1169.5-154.300114.2Q79 K84 R92Q79-E88 PolarHBondContact NE2-OE1 2.7Å; K84-E88 VanDerWaalsContact CE-OE2 3.31Å; K84-E88 WeakPolarHBondContact CE-OE2 3.28Å; K84-E88 PolarHBondContact O-N 3.01Å; E88-R92 WeakPolarHBondContact O-CB 3.49Å; E88-R92 PolarHBondContact O-N 3.4Å; E88-R92 VanDerWaalsContact O-N 3.13Å
89I95.5Very high94.5Very high0 Ų061 Ų610%031%0.312CS..Iπ-helixtrans-74.3-41.3-174.3-63.7175.8000111.6I25 I48 K84 L85 G87 E91 R92 Y93 L121I25-I89 HydrophobicContact CB-CD1 4.4Å; I25-I89 HydrophobicContact CD1-CD1 3.8Å; I25-I89 HydrophobicContact CG2-CD1 3.79Å; I48-I89 HydrophobicContact CD1-CG2 4.22Å; I48-I89 HydrophobicContact CG1-CG2 3.96Å; K84-I89 HydrophobicContact CG-CD1 4.1Å; K84-I89 HydrophobicContact CG-CG1 4.3Å; K84-I89 PolarHBondContact O-N 3.14Å; K84-I89 VanDerWaalsContact O-N 3.15Å; L85-I89 HydrophobicContact CD1-CG2 4.25Å; G87-I89 VanDerWaalsContact C-N 3.33Å; G87-I89 PolarHBondContact O-N 3.22Å; G87-I89 VanDerWaalsContact O-N 3.14Å; I89-E91 VanDerWaalsContact C-N 3.32Å; I89-R92 PolarHBondContact O-N 2.9Å; I89-Y93 HydrophobicContact CG2-CD2 3.91Å; I89-Y93 HydrophobicContact CG2-CE2 3.9Å; I89-Y93 VanDerWaalsContact O-CD2 3.22Å; I89-Y93 WeakPolarHBondContact O-CD2 3.31Å; I89-Y93 PolarHBondContact O-N 3.41Å; I89-L121 HydrophobicContact CD1-CD1 3.89Å; I89-L121 HydrophobicContact CG1-CD1 4.37Å; I89-L121 HydrophobicContact CG2-CD1 4.45Å
90A95Very high94.7Very high9 Ų960.4 Ų60.47%0.07431%0.309CS..Hα-helixtrans-63.5-42.817900000110.9L85 G87 Y93 T94L85-A90 VanDerWaalsContact O-CB 3.28Å; L85-A90 WeakPolarHBondContact O-CB 3.44Å; L85-A90 PolarHBondContact O-N 3.35Å; L85-A90 VanDerWaalsContact O-N 3.1Å; G87-A90 PolarHBondContact O-N 2.9Å; G87-A90 VanDerWaalsContact O-N 3.13Å; A90-Y93 PolarHBondContact O-N 3.32Å; A90-T94 PolarHBondContact O-N 3.03Å; A90-T94 PolarHBondContact O-OG1 2.85Å
91E95.5Very high94.9Very high149 Ų14959.4 Ų59.470%0.69630%0.303SS*.Hα-helixtrans-61.2-48.1177.9-173.5172.7-175.200111.4G87 I89 Y93 T94G87-E91 PolarHBondContact O-N 2.81Å; I89-E91 VanDerWaalsContact C-N 3.32Å; E91-Y93 PolarHBondContact O-N 3.29Å; E91-Y93 VanDerWaalsContact O-N 3.08Å; E91-T94 PolarHBondContact O-N 2.76Å; E91-T94 PolarHBondContact O-OG1 2.93Å
92R95.9Very high95.1Very high116 Ų11665 Ų6544%0.43832%0.324SS..Hα-helixtrans-53.9-32.3178.2-168.9-173.3-62177.94.5113.4E28 E88 I89E28-R92 IonicContact OE1-NH2 3.6Å; E28-R92 PolarHBondContact OE1-NH2 3.08Å; E28-R92 VanDerWaalsContact OE1-NH2 3.12Å; E28-R92 IonicContact OE2-CZ 3.74Å; E28-R92 VanDerWaalsContact OE2-CZ 3.32Å; E28-R92 IonicContact OE2-NH1 2.79Å; E28-R92 PolarHBondContact OE2-NH1 2.86Å; E28-R92 IonicContact OE2-NH2 2.65Å; E28-R92 PolarHBondContact OE2-NH2 3.14Å; E88-R92 WeakPolarHBondContact O-CB 3.49Å; E88-R92 PolarHBondContact O-N 3.4Å; E88-R92 VanDerWaalsContact O-N 3.13Å; I89-R92 PolarHBondContact O-N 2.9Å
93Y96Very high95.2Very high2 Ų264.8 Ų64.81%0.00832%0.323CS..THydrogen-bonded Turntrans-107.614.7-174.3-66-54000115.1I48 K52 I89 A90 E91 E95 R96 Y100 L121 V122I48-Y93 HydrophobicContact CD1-CD2 4.27Å; I48-Y93 HydrophobicContact CD1-CE2 4.05Å; I48-Y93 HydrophobicContact CG2-CD2 3.68Å; I48-Y93 HydrophobicContact CG2-CG 4.23Å; K52-Y93 WeakPolarHBondContact CD-O 3.5Å; K52-Y93 WeakPolarHBondContact CE-O 3.43Å; K52-Y93 PolarHBondContact NZ-O 3.05Å; I89-Y93 HydrophobicContact CG2-CD2 3.91Å; I89-Y93 HydrophobicContact CG2-CE2 3.9Å; I89-Y93 VanDerWaalsContact O-CD2 3.22Å; I89-Y93 WeakPolarHBondContact O-CD2 3.31Å; I89-Y93 PolarHBondContact O-N 3.41Å; A90-Y93 PolarHBondContact O-N 3.32Å; E91-Y93 PolarHBondContact O-N 3.29Å; E91-Y93 VanDerWaalsContact O-N 3.08Å; Y93-E95 VanDerWaalsContact C-N 3.29Å; Y93-E95 PolarHBondContact O-N 2.92Å; Y93-R96 HydrophobicContact CD1-CB 4.25Å; Y93-R96 PolarHBondContact O-N 2.9Å; Y93-R96 VanDerWaalsContact O-N 3.14Å; Y93-Y100 AromaticContact CD1-CD1 3.58Å; Y93-Y100 HydrophobicContact CD1-CD1 3.58Å; Y93-Y100 HydrophobicContact CD1-CE1 4.2Å; Y93-Y100 AromaticContact CD2-CD1 3.96Å; Y93-Y100 HydrophobicContact CD2-CD1 3.96Å; Y93-Y100 HydrophobicContact CD2-CG 4.45Å; Y93-Y100 HydrophobicContact CE1-CD1 4.13Å; Y93-Y100 HydrophobicContact CE2-CD1 4.45Å; Y93-Y100 AromaticContact CG-CD1 3.49Å; Y93-Y100 HydrophobicContact CG-CD1 3.49Å; Y93-Y100 VanDerWaalsContact CG-CD1 3.49Å; Y93-Y100 AromaticContact CG-CE1 3.95Å; Y93-Y100 HydrophobicContact CG-CE1 3.95Å; Y93-Y100 HydrophobicContact CG-CG 4.39Å; Y93-Y100 PolarHBondContact OH-O 3.14Å; Y93-L121 WeakPolarHBondContact OH-CB 3.39Å; Y93-V122 WeakPolarHBondContact CE1-O 3.45Å; Y93-V122 PolarHBondContact OH-N 3.39Å; Y93-V122 PolarHBondContact OH-O 3.39Å
94T93.6Very high95.3Very high92 Ų9263.2 Ų63.256%0.56432%0.317SS*.SBendtrans-50.8-47.3-178.4-58.40000112.2K52 A90 E91K52-T94 VanDerWaalsContact CE-O 3.31Å; K52-T94 WeakPolarHBondContact CE-O 3.46Å; K52-T94 PolarHBondContact NZ-O 3.32Å; A90-T94 PolarHBondContact O-N 3.03Å; A90-T94 PolarHBondContact O-OG1 2.85Å; E91-T94 PolarHBondContact O-N 2.76Å; E91-T94 PolarHBondContact O-OG1 2.93Å
95E94.2Very high95.3Very high188 Ų18869.7 Ų69.788%0.87935%0.346SS*.SBendtrans-84.2-20.6-177.4-59.9-175.616900113.9Y93Y93-E95 VanDerWaalsContact C-N 3.29Å; Y93-E95 PolarHBondContact O-N 2.92Å
96R94.8Very high95.3Very high112 Ų11274 Ų7442%0.42337%0.366SS..  trans-81.5124.7-174.1-176.5178.6-69.1-98.6-1.3112.2K52 Y93 G98 Y100K52-R96 PolarHBondContact NZ-O 3.15Å; Y93-R96 HydrophobicContact CD1-CB 4.25Å; Y93-R96 PolarHBondContact O-N 2.9Å; Y93-R96 VanDerWaalsContact O-N 3.14Å; R96-G98 WeakPolarHBondContact CD-O 3.32Å; R96-G98 VanDerWaalsContact CG-O 3.24Å; R96-G98 WeakPolarHBondContact CG-O 3.43Å; R96-G98 PolarHBondContact O-N 3.12Å; R96-Y100 HydrophobicContact CB-CD1 4.46Å; R96-Y100 HydrophobicContact CB-CE1 3.98Å; R96-Y100 HydrophobicContact CG-CD1 4.1Å; R96-Y100 HydrophobicContact CG-CE1 3.87Å; R96-Y100 VanDerWaalsContact O-CE1 3.3Å; R96-Y100 WeakPolarHBondContact O-CE1 3.23Å; R96-Y100 PolarHBondContact O-OH 2.93Å
97Q91.3Very high95.1Very high195 Ų19574 Ų7491%0.91137%0.371SS*.  trans-95.478.2176.6-63.3-172.9-3.300111.4
98G93.1Very high95.2Very high29 Ų2976.6 Ų76.630%0.29938%0.382SS..SBendtrans82.6177.7179.200000114.6R96 Y100R96-G98 WeakPolarHBondContact CD-O 3.32Å; R96-G98 VanDerWaalsContact CG-O 3.24Å; R96-G98 WeakPolarHBondContact CG-O 3.43Å; R96-G98 PolarHBondContact O-N 3.12Å; G98-Y100 PolarHBondContact N-OH 2.81Å; G98-Y100 VanDerWaalsContact N-OH 3.15Å
99G94.6Very high95.2Very high38 Ų3877 Ų7739%0.39238%0.38SS..  trans64.145-17800000113T101G99-T101 VanDerWaalsContact C-N 3.26Å; G99-T101 PolarHBondContact O-N 2.85Å
100Y96.5Very high95.1Very high10 Ų1089.2 Ų89.24%0.03943%0.426CS..  trans-76.6-13.8-178.7-52.5-61.2000113.6E45 I48 Y93 R96 G98 L121 V122E45-Y100 HydrophobicContact CB-CD2 4.19Å; E45-Y100 HydrophobicContact CG-CD2 4.13Å; I48-Y100 HydrophobicContact CB-CD2 3.86Å; I48-Y100 HydrophobicContact CB-CE2 4.23Å; I48-Y100 HydrophobicContact CB-CG 4.23Å; I48-Y100 HydrophobicContact CD1-CD2 4.25Å; I48-Y100 HydrophobicContact CD1-CG 4Å; I48-Y100 HydrophobicContact CG2-CD1 3.96Å; I48-Y100 HydrophobicContact CG2-CD2 3.7Å; I48-Y100 HydrophobicContact CG2-CE1 4.14Å; I48-Y100 HydrophobicContact CG2-CE2 3.86Å; I48-Y100 HydrophobicContact CG2-CG 3.75Å; Y93-Y100 AromaticContact CD1-CD1 3.58Å; Y93-Y100 HydrophobicContact CD1-CD1 3.58Å; Y93-Y100 HydrophobicContact CD1-CE1 4.2Å; Y93-Y100 AromaticContact CD2-CD1 3.96Å; Y93-Y100 HydrophobicContact CD2-CD1 3.96Å; Y93-Y100 HydrophobicContact CD2-CG 4.45Å; Y93-Y100 HydrophobicContact CE1-CD1 4.13Å; Y93-Y100 HydrophobicContact CE2-CD1 4.45Å; Y93-Y100 AromaticContact CG-CD1 3.49Å; Y93-Y100 HydrophobicContact CG-CD1 3.49Å; Y93-Y100 VanDerWaalsContact CG-CD1 3.49Å; Y93-Y100 AromaticContact CG-CE1 3.95Å; Y93-Y100 HydrophobicContact CG-CE1 3.95Å; Y93-Y100 HydrophobicContact CG-CG 4.39Å; Y93-Y100 PolarHBondContact OH-O 3.14Å; R96-Y100 HydrophobicContact CB-CD1 4.46Å; R96-Y100 HydrophobicContact CB-CE1 3.98Å; R96-Y100 HydrophobicContact CG-CD1 4.1Å; R96-Y100 HydrophobicContact CG-CE1 3.87Å; R96-Y100 VanDerWaalsContact O-CE1 3.3Å; R96-Y100 WeakPolarHBondContact O-CE1 3.23Å; R96-Y100 PolarHBondContact O-OH 2.93Å; G98-Y100 PolarHBondContact N-OH 2.81Å; G98-Y100 VanDerWaalsContact N-OH 3.15Å; Y100-L121 WeakPolarHBondContact O-CA 3.46Å; Y100-V122 PolarHBondContact O-N 2.97Å
101T97Very high95.1Very high4 Ų492.7 Ų92.73%0.02546%0.463CS..EExtended strand (participates in β ladder)trans-120.4145.4-17664.30000110.8L24 R41 V44 E45 G99 E120 L121L24-T101 HydrophobicContact CD2-CG2 4.49Å; R41-T101 VanDerWaalsContact CG-OG1 3.31Å; R41-T101 WeakPolarHBondContact CG-OG1 3.05Å; R41-T101 PolarHBondContact NE-OG1 3.44Å; R41-T101 PolarHBondContact NH2-O 3.21Å; V44-T101 HydrophobicContact CG1-CG2 4.13Å; E45-T101 HydrophobicContact CG-CG2 4.27Å; E45-T101 PolarHBondContact OE1-OG1 3.16Å; G99-T101 VanDerWaalsContact C-N 3.26Å; G99-T101 PolarHBondContact O-N 2.85Å; T101-E120 CarbonylContact C-O 3.5Å; T101-E120 VanDerWaalsContact CA-O 3.24Å; T101-E120 WeakPolarHBondContact CA-O 3.11Å; T101-L121 HydrophobicContact CG2-CD2 4.01Å
102R96.9Very high95.1Very high118 Ų11890.8 Ų90.845%0.44546%0.458SS..EExtended strand (participates in β ladder)trans-116.3141.8169.5-174.4-176.2-64157.7-6.3109.4L104 I119 E120 V122R102-L104 HydrophobicContact CG-CD2 4.02Å; R102-L104 HydrophobicContact CG-CG 4.3Å; R102-I119 VanDerWaalsContact O-CA 3.32Å; R102-I119 WeakPolarHBondContact O-CA 3.34Å; R102-E120 HydrophobicContact CB-CG 4.05Å; R102-E120 PolarHBondContact N-O 3.02Å; R102-E120 IonicContact NH1-OE1 3.32Å; R102-E120 PolarHBondContact NH1-OE1 2.72Å; R102-E120 PolarHBondContact O-N 3.25Å; R102-V122 HydrophobicContact CB-CG2 3.8Å
103I97.7Very high94.9Very high42 Ų4287.5 Ų87.522%0.21546%0.46CS..EExtended strand (participates in β ladder)trans-114.1119.2172.8-61.7175.4000107.5A37 K38 R41 V117 I118 I119A37-I103 HydrophobicContact CB-CD1 4Å; A37-I103 HydrophobicContact CB-CG1 4.38Å; A37-I103 HydrophobicContact CB-CG2 4.45Å; K38-I103 HydrophobicContact CG-CD1 4.24Å; R41-I103 HydrophobicContact CB-CD1 4.49Å; I103-V117 HydrophobicContact CG2-CB 3.79Å; I103-V117 HydrophobicContact CG2-CG1 4.19Å; I103-V117 HydrophobicContact CG2-CG2 3.82Å; I103-I118 CarbonylContact C-O 3.52Å; I103-I118 VanDerWaalsContact CA-O 3.31Å; I103-I118 WeakPolarHBondContact CA-O 3.41Å; I103-I119 HydrophobicContact CG1-CB 4.27Å; I103-I119 HydrophobicContact CG1-CD1 4.23Å; I103-I119 HydrophobicContact CG1-CG1 4.09Å
104L97.1Very high94.8Very high69 Ų6988.7 Ų88.736%0.36147%0.47SS..EExtended strand (participates in β ladder)trans-106.9129.5177.1-60.9176.3000109.3R102 V117 I118R102-L104 HydrophobicContact CG-CD2 4.02Å; R102-L104 HydrophobicContact CG-CG 4.3Å; L104-V117 CarbonylContact O-C 3.5Å; L104-V117 WeakPolarHBondContact O-CA 3.4Å; L104-V117 VanDerWaalsContact O-CB 3.31Å; L104-V117 WeakPolarHBondContact O-CB 3.35Å; L104-I118 HydrophobicContact CB-CB 4.34Å; L104-I118 PolarHBondContact N-O 3Å; L104-I118 PolarHBondContact O-N 2.97Å
105K96Very high94.9Very high156 Ų15688.2 Ų88.268%0.67846%0.462SS*.EExtended strand (participates in β ladder)trans-77.5129175.4-66.1-171.6174.7-169.70109.8V117K105-V117 HydrophobicContact CG-CG1 4.41Å
106Q95.1Very high95Very high90 Ų9079.4 Ų79.442%0.42142%0.421SS..EExtended strand (participates in β ladder)trans-96.5-31.6169.8-70.5-180-21.400111.7E31 S116 I118E31-Q106 PolarHBondContact OE1-OE1 3.17Å; E31-Q106 PolarHBondContact OE2-NE2 3.28Å; E31-Q106 PolarHBondContact OE2-OE1 3.31Å; Q106-S116 PolarHBondContact N-O 3.37Å; Q106-S116 PolarHBondContact OE1-OG 2.95Å; Q106-I118 HydrophobicContact CG-CD1 3.67Å; Q106-I118 HydrophobicContact CG-CG1 3.92Å
107G92.8Very high95.1Very high20 Ų2074.1 Ų74.121%0.20640%0.401CS..EExtended strand (participates in β ladder)trans114.6-176.7-176.400000112.6S116G107-S116 PolarHBondContact N-O 2.99Å; G107-S116 PolarHBondContact O-N 2.87Å
108P95.4Very high95.4Very high88 Ų8865.5 Ų65.557%0.57136%0.361SS*.EExtended strand (participates in β ladder)trans-69.4132.2-177.627.7-34.5000111.1
109R94.6Very high95.6Very high90 Ų9064.1 Ų64.134%0.3435%0.346SS..PPolyproline II helixtrans-74.1148175.579.8-176.471.5-173.7-18.4111.1G111 D112 G113 A114R109-G111 PolarHBondContact O-N 3.25Å; R109-D112 WeakPolarHBondContact CD-OD1 3.31Å; R109-D112 WeakPolarHBondContact CG-OD1 3.31Å; R109-D112 IonicContact NE-OD1 3.69Å; R109-G113 WeakPolarHBondContact O-CA 3.18Å; R109-G113 PolarHBondContact O-N 3.14Å; R109-A114 PolarHBondContact N-O 3.48Å; R109-A114 PolarHBondContact NE-O 3.06Å
110R93.8Very high95.8Very high256 Ų25663.9 Ų63.997%0.96634%0.335SS*.THydrogen-bonded Turntrans-68.5124.7173.1-166.5176.580.7164.64.3110.3
111G94.2Very high95.8Very high82 Ų8264 Ų6485%0.84534%0.337SS*.THydrogen-bonded Turntrans127.6-78.8177.400000112.1R109R109-G111 PolarHBondContact O-N 3.25Å
112D95.6Very high95.7Very high110 Ų11067 Ų6759%0.58836%0.355SS*.THydrogen-bonded Turntrans-96.5-5.1-178.764.65.3000113.8R109 A114R109-D112 WeakPolarHBondContact CD-OD1 3.31Å; R109-D112 WeakPolarHBondContact CG-OD1 3.31Å; R109-D112 IonicContact NE-OD1 3.69Å; D112-A114 PolarHBondContact O-N 3.25Å; D112-A114 WeakPolarHBondContact OD1-CB 3.43Å; D112-A114 PolarHBondContact OD1-N 2.92Å
113G92.9Very high95.6Very high46 Ų4664.5 Ų64.547%0.47435%0.35SS..  trans6811.3-17800000114.4R109 E115R109-G113 WeakPolarHBondContact O-CA 3.18Å; R109-G113 PolarHBondContact O-N 3.14Å; G113-E115 PolarHBondContact O-N 2.86Å
114A93.5Very high95.5Very high28 Ų2865.6 Ų65.623%0.23136%0.357CS..  trans-71.3130.8-178.600000111.4T33 R109 D112 S116T33-A114 HydrophobicContact CG2-CB 4.32Å; R109-A114 PolarHBondContact N-O 3.48Å; R109-A114 PolarHBondContact NE-O 3.06Å; D112-A114 PolarHBondContact O-N 3.25Å; D112-A114 WeakPolarHBondContact OD1-CB 3.43Å; D112-A114 PolarHBondContact OD1-N 2.92Å; A114-S116 PolarHBondContact O-N 2.8Å
115E95.2Very high95.4Very high82 Ų8265.4 Ų65.438%0.38336%0.357SS..EExtended strand (participates in β ladder)trans-58.1109.5176.8-69.4-63.2151.300111.4T33 E34 G113T33-E115 WeakPolarHBondContact CA-O 3.34Å; E34-E115 HydrophobicContact CB-CB 4.37Å; E34-E115 PolarHBondContact N-O 2.97Å; G113-E115 PolarHBondContact O-N 2.86Å
116S96.4Very high95.4Very high3 Ų360.1 Ų60.12%0.02134%0.338CS..EExtended strand (participates in β ladder)trans-85.6138.2174.5-1530000110.3E31 Q106 G107 A114E31-S116 WeakPolarHBondContact CG-OG 3.37Å; E31-S116 PolarHBondContact OE1-OG 3.24Å; Q106-S116 PolarHBondContact N-O 3.37Å; Q106-S116 PolarHBondContact OE1-OG 2.95Å; G107-S116 PolarHBondContact N-O 2.99Å; G107-S116 PolarHBondContact O-N 2.87Å; A114-S116 PolarHBondContact O-N 2.8Å
117V97.6Very high95.4Very high1 Ų158.3 Ų58.31%0.00633%0.333CS..EExtended strand (participates in β ladder)trans-137.4148.4177.4-53.70000109.7T32 E34 A37 I103 L104 K105T32-V117 HydrophobicContact CG2-CG2 4.48Å; T32-V117 PolarHBondContact N-O 3.48Å; T32-V117 WeakPolarHBondContact O-CG2 3.46Å; T32-V117 PolarHBondContact O-N 3.3Å; E34-V117 HydrophobicContact CB-CG1 3.77Å; E34-V117 HydrophobicContact CG-CG1 4.1Å; A37-V117 HydrophobicContact CB-CG2 3.36Å; I103-V117 HydrophobicContact CG2-CB 3.79Å; I103-V117 HydrophobicContact CG2-CG1 4.19Å; I103-V117 HydrophobicContact CG2-CG2 3.82Å; L104-V117 CarbonylContact O-C 3.5Å; L104-V117 WeakPolarHBondContact O-CA 3.4Å; L104-V117 VanDerWaalsContact O-CB 3.31Å; L104-V117 WeakPolarHBondContact O-CB 3.35Å; K105-V117 HydrophobicContact CG-CG1 4.41Å
118I97.7Very high95.6Very high13 Ų1360.8 Ų60.87%0.06734%0.341CS..EExtended strand (participates in β ladder)trans-93.5130.5166.4-65.4151.3000107.4R29 I30 I103 L104 Q106 E120R29-I118 HydrophobicContact CG-CG2 3.59Å; I30-I118 WeakPolarHBondContact O-CA 3.5Å; I103-I118 CarbonylContact C-O 3.52Å; I103-I118 VanDerWaalsContact CA-O 3.31Å; I103-I118 WeakPolarHBondContact CA-O 3.41Å; L104-I118 HydrophobicContact CB-CB 4.34Å; L104-I118 PolarHBondContact N-O 3Å; L104-I118 PolarHBondContact O-N 2.97Å; Q106-I118 HydrophobicContact CG-CD1 3.67Å; Q106-I118 HydrophobicContact CG-CG1 3.92Å; I118-E120 HydrophobicContact CG2-CB 4.49Å
119I97.7Very high95.6Very high0 Ų058.9 Ų58.90%033%0.325CS..EExtended strand (participates in β ladder)trans-108.8128.2163.9-176.4172.7000108.6L24 R29 I30 T32 A37 V40 R41 R102 I103L24-I119 HydrophobicContact CD1-CG2 4.48Å; L24-I119 WeakPolarHBondContact CD1-O 3.02Å; L24-I119 HydrophobicContact CD2-CD1 3.88Å; L24-I119 HydrophobicContact CD2-CG1 3.91Å; L24-I119 HydrophobicContact CD2-CG2 4.24Å; R29-I119 WeakPolarHBondContact CA-O 2.92Å; I30-I119 HydrophobicContact CD1-CG2 3.82Å; I30-I119 HydrophobicContact CG1-CG2 3.31Å; I30-I119 PolarHBondContact N-O 3.19Å; I30-I119 PolarHBondContact O-N 2.94Å; T32-I119 HydrophobicContact CG2-CG2 4.4Å; A37-I119 HydrophobicContact CB-CB 4.27Å; A37-I119 HydrophobicContact CB-CG2 4.43Å; V40-I119 HydrophobicContact CG1-CD1 4.32Å; R41-I119 HydrophobicContact CB-CD1 4Å; R102-I119 VanDerWaalsContact O-CA 3.32Å; R102-I119 WeakPolarHBondContact O-CA 3.34Å; I103-I119 HydrophobicContact CG1-CB 4.27Å; I103-I119 HydrophobicContact CG1-CD1 4.23Å; I103-I119 HydrophobicContact CG1-CG1 4.09Å
120E97.6Very high95.6Very high33 Ų3356.5 Ų56.515%0.15432%0.324CS..EExtended strand (participates in β ladder)trans-133.4153.2-177.865.6-170.1-167.800111.3E28 R29 T101 R102 I118E28-E120 CarbonylContact O-C 3.51Å; E28-E120 VanDerWaalsContact O-CA 3.23Å; E28-E120 WeakPolarHBondContact O-CA 3.5Å; R29-E120 HydrophobicContact CB-CB 4.19Å; R29-E120 HydrophobicContact CG-CB 4.09Å; R29-E120 IonicContact NE-OE2 3Å; T101-E120 CarbonylContact C-O 3.5Å; T101-E120 VanDerWaalsContact CA-O 3.24Å; T101-E120 WeakPolarHBondContact CA-O 3.11Å; R102-E120 HydrophobicContact CB-CG 4.05Å; R102-E120 PolarHBondContact N-O 3.02Å; R102-E120 IonicContact NH1-OE1 3.32Å; R102-E120 PolarHBondContact NH1-OE1 2.72Å; R102-E120 PolarHBondContact O-N 3.25Å; I118-E120 HydrophobicContact CG2-CB 4.49Å
121L96.8Very high95.8Very high14 Ų1439.8 Ų39.87%0.07327%0.27CS..EExtended strand (participates in β ladder)trans-74.2139.1166.1-63-172.6000109.1L24 E28 V44 I48 I89 Y93 Y100 T101L24-L121 HydrophobicContact CD1-CG 4.48Å; L24-L121 HydrophobicContact CD2-CD2 4.49Å; L24-L121 HydrophobicContact CG-CD2 4.36Å; E28-L121 HydrophobicContact CB-CB 4.43Å; E28-L121 HydrophobicContact CB-CD1 4.3Å; E28-L121 HydrophobicContact CB-CG 4.47Å; E28-L121 HydrophobicContact CG-CD1 4.17Å; E28-L121 PolarHBondContact O-N 3.42Å; V44-L121 HydrophobicContact CG1-CD2 4.12Å; I48-L121 HydrophobicContact CD1-CD2 3.9Å; I89-L121 HydrophobicContact CD1-CD1 3.89Å; I89-L121 HydrophobicContact CG1-CD1 4.37Å; I89-L121 HydrophobicContact CG2-CD1 4.45Å; Y93-L121 WeakPolarHBondContact OH-CB 3.39Å; Y100-L121 WeakPolarHBondContact O-CA 3.46Å; T101-L121 HydrophobicContact CG2-CD2 4.01Å
122V94.1Very high95.9Very high66 Ų6636 Ų3640%0.422%0.218SC..  trans-850-176.4177.70000113.2Y93 Y100 R102Y93-V122 WeakPolarHBondContact CE1-O 3.45Å; Y93-V122 PolarHBondContact OH-N 3.39Å; Y93-V122 PolarHBondContact OH-O 3.39Å; Y100-V122 PolarHBondContact O-N 2.97Å; R102-V122 HydrophobicContact CB-CG2 3.8Å

Retrieved 122 of 122 residues in 343.5 ms (Link to these results)

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