A0A077ZJJ7_TRITR Loading...

DUF4130 and Cation efflux and HHH 3 domain contai ning protein

AlphaFold DB , UniProt , Accession A0A077ZJJ7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 851 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
1M75.6Confident73Confident65 Ų6583.2 Ų83.232%0.3240%0.403SS..  0-49.10-75.5-50.8-63.800111.7F3 Y4 M5 L36 K40 F42M1-F3 VanDerWaalsContact C-N 3.33Å; M1-F3 PolarHBondContact O-N 3.22Å; M1-Y4 HydrophobicContact CE-CD1 3.92Å; M1-Y4 CarbonylContact O-C 3.57Å; M1-Y4 WeakPolarHBondContact O-CA 3.38Å; M1-Y4 WeakPolarHBondContact O-CB 3.34Å; M1-Y4 PolarHBondContact O-N 3.3Å; M1-M5 HydrophobicContact CE-CG 4.43Å; M1-M5 PolarHBondContact O-N 2.89Å; M1-L36 HydrophobicContact CG-CD2 4.4Å; M1-L36 HydrophobicContact SD-CD2 3.98Å; M1-K40 HydrophobicContact CE-CB 3.83Å; M1-K40 VanDerWaalsContact CE-O 3.27Å; M1-K40 WeakPolarHBondContact CE-O 3.38Å; M1-K40 HydrophobicContact CG-CB 3.88Å; M1-K40 HydrophobicContact CG-CD 4.31Å; M1-K40 HydrophobicContact CG-CG 3.94Å; M1-K40 HydrophobicContact SD-CB 3.75Å; M1-K40 HydrophobicContact SD-CG 4.46Å; M1-F42 HydrophobicContact CE-CB 4.48Å; M1-F42 HydrophobicContact SD-CB 3.9Å; M1-F42 HydrophobicContact SD-CD2 3.92Å; M1-F42 HydrophobicContact SD-CG 4.35Å
2D72.2Confident74.6Confident103 Ų10379.8 Ų79.855%0.55139%0.388SS*.Hα-helixtrans-57.4-43.4-179-52.4-24.5000112.8Y4 M5 R6D2-Y4 VanDerWaalsContact C-N 3.29Å; D2-Y4 PolarHBondContact O-N 2.65Å; D2-M5 PolarHBondContact O-N 2.9Å; D2-R6 WeakPolarHBondContact O-CB 3.26Å; D2-R6 VanDerWaalsContact O-CG 3.23Å; D2-R6 WeakPolarHBondContact O-CG 3.28Å; D2-R6 PolarHBondContact O-N 3.39Å
3F76.1Confident76Confident68 Ų6882.4 Ų82.430%0.29840%0.397SS..Hα-helixtrans-56.6-39.4170.5-70.4-71.6000113M1 N7 Y8 I9 Y487M1-F3 VanDerWaalsContact C-N 3.33Å; M1-F3 PolarHBondContact O-N 3.22Å; F3-N7 PolarHBondContact O-N 3.49Å; F3-Y8 AromaticContact CD1-CD2 3.57Å; F3-Y8 HydrophobicContact CD1-CD2 3.57Å; F3-Y8 HydrophobicContact CD1-CG 4.28Å; F3-Y8 HydrophobicContact CE1-CD2 4.2Å; F3-Y8 HydrophobicContact CG-CD2 4.48Å; F3-Y8 WeakPolarHBondContact O-CA 3.44Å; F3-Y8 VanDerWaalsContact O-CB 3.3Å; F3-Y8 WeakPolarHBondContact O-CB 3.43Å; F3-Y8 PolarHBondContact O-N 3.23Å; F3-I9 HydrophobicContact CB-CD1 4.05Å; F3-I9 HydrophobicContact CB-CG1 4.02Å; F3-I9 HydrophobicContact CB-CG2 4.36Å; F3-Y487 HydrophobicContact CD1-CE1 4.04Å; F3-Y487 AromaticContact CE1-CD1 4Å; F3-Y487 HydrophobicContact CE1-CD1 4Å; F3-Y487 AromaticContact CE1-CE1 3.7Å; F3-Y487 HydrophobicContact CE1-CE1 3.7Å
4Y75Confident77.3Confident45 Ų4579.1 Ų79.118%0.17638%0.382CS..Hα-helixtrans-73-44179.7-180-112.6000112.1M1 D2 R6 N7 I9 F42 R43 G44M1-Y4 HydrophobicContact CE-CD1 3.92Å; M1-Y4 CarbonylContact O-C 3.57Å; M1-Y4 WeakPolarHBondContact O-CA 3.38Å; M1-Y4 WeakPolarHBondContact O-CB 3.34Å; M1-Y4 PolarHBondContact O-N 3.3Å; D2-Y4 VanDerWaalsContact C-N 3.29Å; D2-Y4 PolarHBondContact O-N 2.65Å; Y4-R6 PolarHBondContact O-N 2.94Å; Y4-N7 WeakPolarHBondContact O-CA 3.21Å; Y4-N7 PolarHBondContact O-N 3.01Å; Y4-N7 PolarHBondContact O-OD1 3.17Å; Y4-I9 WeakPolarHBondContact CD2-O 3.26Å; Y4-F42 AromaticContact CD1-CD2 3.58Å; Y4-F42 HydrophobicContact CD1-CD2 3.58Å; Y4-F42 HydrophobicContact CD1-CE2 4.08Å; Y4-F42 AromaticContact CD2-CD2 3.83Å; Y4-F42 HydrophobicContact CD2-CD2 3.83Å; Y4-F42 AromaticContact CD2-CE2 3.45Å; Y4-F42 HydrophobicContact CD2-CE2 3.45Å; Y4-F42 VanDerWaalsContact CD2-CE2 3.45Å; Y4-F42 HydrophobicContact CD2-CZ 4.33Å; Y4-F42 AromaticContact CE1-CD2 3.95Å; Y4-F42 HydrophobicContact CE1-CD2 3.95Å; Y4-F42 HydrophobicContact CE2-CD2 4.21Å; Y4-F42 AromaticContact CE2-CE2 3.98Å; Y4-F42 HydrophobicContact CE2-CE2 3.98Å; Y4-F42 AromaticContact CG-CD2 3.5Å; Y4-F42 HydrophobicContact CG-CD2 3.5Å; Y4-F42 AromaticContact CG-CE2 3.5Å; Y4-F42 HydrophobicContact CG-CE2 3.5Å; Y4-R43 PolarHBondContact OH-N 3.07Å; Y4-G44 PolarHBondContact OH-N 3.43Å
5M64.5Low78.1Confident81 Ų8177.3 Ų77.340%0.39938%0.381SS..Hα-helixtrans-63.2-29.8177.5-69-65.4-71.700112.5M1 D2 N7 K827M1-M5 HydrophobicContact CE-CG 4.43Å; M1-M5 PolarHBondContact O-N 2.89Å; D2-M5 PolarHBondContact O-N 2.9Å; M5-N7 VanDerWaalsContact C-N 3.28Å; M5-K827 HydrophobicContact CE-CD 4.13Å
6R63.9Low78.7Confident121 Ų12174.9 Ų74.946%0.45737%0.374SS..THydrogen-bonded Turntrans-84.33.8173.4-64.5174.7-176.6176.9-1.4113.3D2 Y4 Y8 E490D2-R6 WeakPolarHBondContact O-CB 3.26Å; D2-R6 VanDerWaalsContact O-CG 3.23Å; D2-R6 WeakPolarHBondContact O-CG 3.28Å; D2-R6 PolarHBondContact O-N 3.39Å; Y4-R6 PolarHBondContact O-N 2.94Å; R6-Y8 HydrophobicContact CB-CD1 4.08Å; R6-Y8 HydrophobicContact CB-CD2 3.7Å; R6-Y8 HydrophobicContact CB-CE1 4Å; R6-Y8 HydrophobicContact CB-CE2 3.69Å; R6-Y8 HydrophobicContact CB-CG 3.95Å; R6-Y8 HydrophobicContact CG-CD2 4.48Å; R6-Y8 HydrophobicContact CG-CE2 4.15Å; R6-Y8 WeakPolarHBondContact O-CD1 3.48Å; R6-Y8 PolarHBondContact O-N 3.18Å; R6-E490 IonicContact NH1-OE1 2.62Å; R6-E490 PolarHBondContact NH1-OE1 2.87Å
7N62.3Low79.1Confident125 Ų12575.1 Ų75.167%0.66839%0.39SS*.THydrogen-bonded Turntrans55.427.3-173.3-69.3-22.6000114.6F3 Y4 M5 I9F3-N7 PolarHBondContact O-N 3.49Å; Y4-N7 WeakPolarHBondContact O-CA 3.21Å; Y4-N7 PolarHBondContact O-N 3.01Å; Y4-N7 PolarHBondContact O-OD1 3.17Å; M5-N7 VanDerWaalsContact C-N 3.28Å; N7-I9 VanDerWaalsContact C-N 3.35Å
8Y63.7Low79.3Confident49 Ų4976.4 Ų76.419%0.19240%0.397CS..SBendtrans-76.1-23.9175.4-61.4-26.3000113F3 R6 R486 Y487F3-Y8 AromaticContact CD1-CD2 3.57Å; F3-Y8 HydrophobicContact CD1-CD2 3.57Å; F3-Y8 HydrophobicContact CD1-CG 4.28Å; F3-Y8 HydrophobicContact CE1-CD2 4.2Å; F3-Y8 HydrophobicContact CG-CD2 4.48Å; F3-Y8 WeakPolarHBondContact O-CA 3.44Å; F3-Y8 VanDerWaalsContact O-CB 3.3Å; F3-Y8 WeakPolarHBondContact O-CB 3.43Å; F3-Y8 PolarHBondContact O-N 3.23Å; R6-Y8 HydrophobicContact CB-CD1 4.08Å; R6-Y8 HydrophobicContact CB-CD2 3.7Å; R6-Y8 HydrophobicContact CB-CE1 4Å; R6-Y8 HydrophobicContact CB-CE2 3.69Å; R6-Y8 HydrophobicContact CB-CG 3.95Å; R6-Y8 HydrophobicContact CG-CD2 4.48Å; R6-Y8 HydrophobicContact CG-CE2 4.15Å; R6-Y8 WeakPolarHBondContact O-CD1 3.48Å; R6-Y8 PolarHBondContact O-N 3.18Å; Y8-R486 WeakPolarHBondContact CE1-O 3.41Å; Y8-Y487 HydrophobicContact CD2-CD1 4.37Å; Y8-Y487 HydrophobicContact CD2-CE1 4.36Å; Y8-Y487 HydrophobicContact CE2-CD1 4.43Å
9I79.1Confident79.6Confident58 Ų5876.6 Ų76.630%0.29740%0.397SS..  trans-134.9147.9177.762.8173000110.3F3 Y4 N7F3-I9 HydrophobicContact CB-CD1 4.05Å; F3-I9 HydrophobicContact CB-CG1 4.02Å; F3-I9 HydrophobicContact CB-CG2 4.36Å; Y4-I9 WeakPolarHBondContact CD2-O 3.26Å; N7-I9 VanDerWaalsContact C-N 3.35Å
10E81Confident80Confident175 Ų17581.2 Ų81.282%0.81841%0.414SS*.SBendtrans-106.1-6.3172.5-64.3178.1179.200112.4G44 Y45E10-G44 CarbonylContact O-C 3.51Å; E10-G44 WeakPolarHBondContact O-CA 3.37Å; E10-Y45 PolarHBondContact O-N 3.5Å
11G89.1Confident80.4Confident25 Ų2580.8 Ų80.826%0.25841%0.413SS..EExtended strand (participates in β ladder)trans-168.7174.6-175.800000112.7Y45G11-Y45 CarbonylContact C-O 3.54Å; G11-Y45 WeakPolarHBondContact CA-O 3.45Å
12L92.7Very high81.1Confident42 Ų4279.5 Ų79.522%0.2241%0.409CS..EExtended strand (participates in β ladder)trans-143.7153.9178.663.387000111.6L14 L36 F42 Y45 I46 H47L12-L14 HydrophobicContact CD1-CB 3.89Å; L12-L36 HydrophobicContact CD2-CD1 3.87Å; L12-F42 HydrophobicContact CD2-CD1 4.35Å; L12-F42 HydrophobicContact CD2-CE1 3.74Å; L12-F42 HydrophobicContact CD2-CE2 4.16Å; L12-F42 HydrophobicContact CD2-CZ 3.62Å; L12-F42 HydrophobicContact CG-CE1 4.1Å; L12-F42 HydrophobicContact CG-CZ 4.06Å; L12-Y45 PolarHBondContact N-O 2.94Å; L12-I46 HydrophobicContact CD1-CG1 4.31Å; L12-I46 HydrophobicContact CD1-CG2 4.14Å; L12-I46 HydrophobicContact CG-CG1 4.29Å; L12-H47 PolarHBondContact O-N 3.44Å
13F93.2Very high82.2Confident114 Ų11477.5 Ų77.550%0.540%0.399SS..EExtended strand (participates in β ladder)trans-108.7122.1166.4176.8-107.5000108.7H47 K49F13-H47 CarbonylContact C-O 3.6Å; F13-H47 VanDerWaalsContact CA-O 3.27Å; F13-H47 WeakPolarHBondContact CA-O 3.48Å; F13-H47 HydrophobicContact CD2-CB 3.9Å; F13-H47 AromaticContact CD2-CE1 3.94Å; F13-H47 AromaticContact CD2-CG 3.57Å; F13-H47 AromaticContact CD2-ND1 3.41Å; F13-H47 WeakPolarHBondContact CD2-ND1 3.36Å; F13-H47 WeakPolarHBondContact CD2-O 3.46Å; F13-H47 AromaticContact CE2-CE1 3.73Å; F13-H47 AromaticContact CE2-CG 3.95Å; F13-H47 AromaticContact CE2-ND1 3.69Å; F13-K49 HydrophobicContact CZ-CB 4.4Å
14L93.2Very high83.1Confident36 Ų3678 Ų7819%0.18840%0.399CS..EExtended strand (participates in β ladder)trans-112.2126-179.6-172.267.7000110.2L12 L29 T32 L33 H47 V48 K49L12-L14 HydrophobicContact CD1-CB 3.89Å; L14-L29 HydrophobicContact CD1-CD2 4.45Å; L14-L29 HydrophobicContact CD2-CD2 3.74Å; L14-L29 HydrophobicContact CG-CD2 3.72Å; L14-T32 HydrophobicContact CD1-CG2 4.46Å; L14-T32 HydrophobicContact CD2-CG2 4.07Å; L14-L33 HydrophobicContact CD2-CD2 3.55Å; L14-L33 HydrophobicContact CD2-CG 3.98Å; L14-H47 PolarHBondContact N-O 3.4Å; L14-V48 HydrophobicContact CB-CG2 4.23Å; L14-V48 HydrophobicContact CD2-CG2 4.39Å; L14-V48 CarbonylContact O-C 3.52Å; L14-V48 WeakPolarHBondContact O-CA 3.47Å; L14-K49 PolarHBondContact O-N 3.11Å
15S90.5Very high84Confident53 Ų5375.9 Ų75.937%0.37139%0.391SS..  trans-148.3154.9179.2174.80000109.5K49S15-K49 WeakPolarHBondContact OG-CD 3.34Å
16S87Confident85.4Confident38 Ų3872 Ų7227%0.26637%0.372SS..  trans-142.5152.2174.1-172.30000110.4
17A85Confident86.9Confident79 Ų7971 Ų7165%0.65337%0.372SS*.PPolyproline II helixtrans-71.4164.1156.800000109.7I19 T25A17-I19 PolarHBondContact O-N 2.8Å; A17-T25 VanDerWaalsContact O-CG2 3.27Å; A17-T25 WeakPolarHBondContact O-CG2 3.38Å
18I83.6Confident88.6Confident99 Ų9968 Ų6851%0.50836%0.356SS..PPolyproline II helixtrans-73.1119.5177.2-61.8173.6000108.9P22 I51I18-P22 HydrophobicContact CD1-CG 4.39Å; I18-I51 HydrophobicContact CD1-CG2 4.19Å; I18-I51 HydrophobicContact CG1-CG2 3.83Å
19I85.3Confident90.1Very high79 Ų7966 Ų6641%0.40535%0.348SS..PPolyproline II helixtrans-104121173.9-56172.9000107.2A17 N21 Y24 T25 L28A17-I19 PolarHBondContact O-N 2.8Å; I19-N21 PolarHBondContact O-N 2.93Å; I19-N21 VanDerWaalsContact O-O 3.11Å; I19-Y24 HydrophobicContact CB-CD1 4.3Å; I19-Y24 HydrophobicContact CB-CE1 4.34Å; I19-Y24 HydrophobicContact CG2-CD1 4.16Å; I19-Y24 HydrophobicContact CG2-CE1 3.82Å; I19-Y24 VanDerWaalsContact O-CD1 3.31Å; I19-Y24 WeakPolarHBondContact O-CD1 3.27Å; I19-T25 PolarHBondContact N-OG1 2.92Å; I19-T25 PolarHBondContact O-OG1 3.32Å; I19-T25 VanDerWaalsContact O-OG1 3.12Å; I19-L28 HydrophobicContact CD1-CD1 4.32Å
20K86Confident90.9Very high168 Ų16863.6 Ų63.673%0.7334%0.336SS*.SBendtrans61.5-66.8-175.7-59.9175.1-179.3174.90114.2Y24K20-Y24 HydrophobicContact CB-CD1 4.22Å; K20-Y24 HydrophobicContact CD-CD1 3.99Å; K20-Y24 HydrophobicContact CD-CD2 4.47Å; K20-Y24 HydrophobicContact CD-CE1 3.95Å; K20-Y24 HydrophobicContact CD-CE2 4.42Å; K20-Y24 HydrophobicContact CD-CG 4.24Å; K20-Y24 HydrophobicContact CG-CD1 4.35Å; K20-Y24 HydrophobicContact CG-CE1 4.48Å
21N90.1Very high91.7Very high74 Ų7461.7 Ų61.740%0.39633%0.325SS..SBendtrans-152.7166.1177.665.951.5000110.7I19 D23 Y24 T25I19-N21 PolarHBondContact O-N 2.93Å; I19-N21 VanDerWaalsContact O-O 3.11Å; N21-D23 PolarHBondContact O-N 3.44Å; N21-D23 PolarHBondContact OD1-N 3.25Å; N21-Y24 WeakPolarHBondContact OD1-CB 3.4Å; N21-Y24 PolarHBondContact OD1-N 3.37Å; N21-T25 PolarHBondContact O-N 2.99Å; N21-T25 PolarHBondContact O-OG1 3.03Å
22P90.5Very high92Very high37 Ų3763.3 Ų63.324%0.2433%0.33CS..Hα-helixtrans-55.8-44.4-179.5-29.937.6000114.5I18 T25 C26 I51 A54I18-P22 HydrophobicContact CD1-CG 4.39Å; P22-T25 PolarHBondContact O-N 2.9Å; P22-C26 WeakPolarHBondContact O-CB 3.33Å; P22-C26 PolarHBondContact O-N 3.17Å; P22-I51 HydrophobicContact CB-CG2 3.92Å; P22-A54 HydrophobicContact CB-CB 4.19Å
23D93.9Very high92.1Very high62 Ų6261.3 Ų61.333%0.33232%0.319SS..Hα-helixtrans-63.5-51.6-177.1-67.3-23.6000111.7N21 T25 C26 E27 A54 D55 L58N21-D23 PolarHBondContact O-N 3.44Å; N21-D23 PolarHBondContact OD1-N 3.25Å; D23-T25 PolarHBondContact O-N 2.91Å; D23-C26 CarbonylContact O-C 3.58Å; D23-C26 WeakPolarHBondContact O-CA 3.42Å; D23-C26 WeakPolarHBondContact O-CB 3.03Å; D23-C26 PolarHBondContact O-N 2.91Å; D23-E27 WeakPolarHBondContact O-CG 3.29Å; D23-E27 PolarHBondContact O-N 2.83Å; D23-A54 WeakPolarHBondContact OD1-CA 3.41Å; D23-D55 PolarHBondContact OD1-N 3.49Å; D23-L58 HydrophobicContact CB-CD1 3.85Å
24Y95Very high92.1Very high77 Ų7759.3 Ų59.330%0.30231%0.311SS..Hα-helixtrans-57-39.3177.5178.7-96.6000111.7I19 K20 N21 L28I19-Y24 HydrophobicContact CB-CD1 4.3Å; I19-Y24 HydrophobicContact CB-CE1 4.34Å; I19-Y24 HydrophobicContact CG2-CD1 4.16Å; I19-Y24 HydrophobicContact CG2-CE1 3.82Å; I19-Y24 VanDerWaalsContact O-CD1 3.31Å; I19-Y24 WeakPolarHBondContact O-CD1 3.27Å; K20-Y24 HydrophobicContact CB-CD1 4.22Å; K20-Y24 HydrophobicContact CD-CD1 3.99Å; K20-Y24 HydrophobicContact CD-CD2 4.47Å; K20-Y24 HydrophobicContact CD-CE1 3.95Å; K20-Y24 HydrophobicContact CD-CE2 4.42Å; K20-Y24 HydrophobicContact CD-CG 4.24Å; K20-Y24 HydrophobicContact CG-CD1 4.35Å; K20-Y24 HydrophobicContact CG-CE1 4.48Å; N21-Y24 WeakPolarHBondContact OD1-CB 3.4Å; N21-Y24 PolarHBondContact OD1-N 3.37Å; Y24-L28 HydrophobicContact CD1-CD1 4.04Å; Y24-L28 HydrophobicContact CE1-CD1 3.46Å; Y24-L28 VanDerWaalsContact CE1-CD1 3.46Å; Y24-L28 HydrophobicContact CE1-CG 4.2Å; Y24-L28 WeakPolarHBondContact O-CG 3.24Å; Y24-L28 PolarHBondContact O-N 3.41Å; Y24-L28 VanDerWaalsContact O-N 3.13Å
25T93.5Very high92.1Very high1 Ų160.2 Ų60.21%0.00632%0.315CS..Hα-helixtrans-66.9-42.3176.2-520000111.1A17 I19 N21 P22 D23 L28 L29 I51A17-T25 VanDerWaalsContact O-CG2 3.27Å; A17-T25 WeakPolarHBondContact O-CG2 3.38Å; I19-T25 PolarHBondContact N-OG1 2.92Å; I19-T25 PolarHBondContact O-OG1 3.32Å; I19-T25 VanDerWaalsContact O-OG1 3.12Å; N21-T25 PolarHBondContact O-N 2.99Å; N21-T25 PolarHBondContact O-OG1 3.03Å; P22-T25 PolarHBondContact O-N 2.9Å; D23-T25 PolarHBondContact O-N 2.91Å; T25-L28 PolarHBondContact O-N 2.93Å; T25-L29 WeakPolarHBondContact O-CG 3.25Å; T25-L29 PolarHBondContact O-N 3.38Å; T25-L29 VanDerWaalsContact O-N 3.08Å; T25-I51 HydrophobicContact CG2-CD1 4.07Å; T25-I51 HydrophobicContact CG2-CG1 4.02Å
26C94.2Very high92.2Very high0 Ų058.8 Ų58.80%030%0.303CS..Hα-helixtrans-64.5-42.7177.7-158.50000111.5P22 D23 L28 L29 I30 A54 L58P22-C26 WeakPolarHBondContact O-CB 3.33Å; P22-C26 PolarHBondContact O-N 3.17Å; D23-C26 CarbonylContact O-C 3.58Å; D23-C26 WeakPolarHBondContact O-CA 3.42Å; D23-C26 WeakPolarHBondContact O-CB 3.03Å; D23-C26 PolarHBondContact O-N 2.91Å; C26-L28 VanDerWaalsContact C-N 3.31Å; C26-L28 PolarHBondContact O-N 3.28Å; C26-L29 WeakPolarHBondContact O-CB 3.27Å; C26-L29 PolarHBondContact O-N 3Å; C26-L29 VanDerWaalsContact O-N 3.11Å; C26-I30 WeakPolarHBondContact O-CG1 3.33Å; C26-I30 PolarHBondContact O-N 2.67Å; C26-A54 HydrophobicContact CB-CB 3.94Å; C26-L58 HydrophobicContact CB-CB 4.21Å; C26-L58 HydrophobicContact CB-CD1 4.25Å
27E96.8Very high92.2Very high101 Ų10159.9 Ų59.947%0.47230%0.301SS..Hα-helixtrans-57.5-41.7173.9-72.6176.2171.900112.1D23 I30 K31 L58D23-E27 WeakPolarHBondContact O-CG 3.29Å; D23-E27 PolarHBondContact O-N 2.83Å; E27-I30 PolarHBondContact O-N 3.2Å; E27-K31 VanDerWaalsContact O-CB 3.28Å; E27-K31 WeakPolarHBondContact O-CB 3.13Å; E27-K31 PolarHBondContact O-N 3.02Å; E27-L58 HydrophobicContact CG-CD1 4.2Å; E27-L58 HydrophobicContact CG-CD2 4.05Å
28L96.6Very high92.4Very high60 Ų6062 Ų6231%0.31430%0.298SS..Hα-helixtrans-65.6-39.1175.5-72.1178.5000112.4I19 Y24 T25 C26 T32I19-L28 HydrophobicContact CD1-CD1 4.32Å; Y24-L28 HydrophobicContact CD1-CD1 4.04Å; Y24-L28 HydrophobicContact CE1-CD1 3.46Å; Y24-L28 VanDerWaalsContact CE1-CD1 3.46Å; Y24-L28 HydrophobicContact CE1-CG 4.2Å; Y24-L28 WeakPolarHBondContact O-CG 3.24Å; Y24-L28 PolarHBondContact O-N 3.41Å; Y24-L28 VanDerWaalsContact O-N 3.13Å; T25-L28 PolarHBondContact O-N 2.93Å; C26-L28 VanDerWaalsContact C-N 3.31Å; C26-L28 PolarHBondContact O-N 3.28Å; L28-T32 WeakPolarHBondContact O-CB 3.41Å; L28-T32 PolarHBondContact O-N 3.08Å; L28-T32 PolarHBondContact O-OG1 3.01Å
29L95.9Very high92.4Very high7 Ų763.2 Ų63.24%0.03730%0.302CS..Hα-helixtrans-63.7-48.2174.2-68.9173.1000110.8L14 T25 C26 K31 T32 L33 I51 L62L14-L29 HydrophobicContact CD1-CD2 4.45Å; L14-L29 HydrophobicContact CD2-CD2 3.74Å; L14-L29 HydrophobicContact CG-CD2 3.72Å; T25-L29 WeakPolarHBondContact O-CG 3.25Å; T25-L29 PolarHBondContact O-N 3.38Å; T25-L29 VanDerWaalsContact O-N 3.08Å; C26-L29 WeakPolarHBondContact O-CB 3.27Å; C26-L29 PolarHBondContact O-N 3Å; C26-L29 VanDerWaalsContact O-N 3.11Å; L29-K31 PolarHBondContact O-N 3.26Å; L29-T32 WeakPolarHBondContact O-CB 3.21Å; L29-T32 PolarHBondContact O-N 2.67Å; L29-L33 WeakPolarHBondContact O-CG 3.36Å; L29-L33 PolarHBondContact O-N 3.17Å; L29-I51 HydrophobicContact CD1-CD1 4Å; L29-I51 HydrophobicContact CD1-CG1 3.82Å; L29-L62 HydrophobicContact CB-CD1 3.94Å
30I96.7Very high92.3Very high8 Ų863.3 Ų63.34%0.04130%0.299CS..Hα-helixtrans-57.6-49.4176.4-70.1165.8000110.2C26 E27 T32 L33 K34 L58 E61 L62 L65C26-I30 WeakPolarHBondContact O-CG1 3.33Å; C26-I30 PolarHBondContact O-N 2.67Å; E27-I30 PolarHBondContact O-N 3.2Å; I30-T32 VanDerWaalsContact C-N 3.29Å; I30-T32 PolarHBondContact O-N 3.03Å; I30-L33 CarbonylContact O-C 3.55Å; I30-L33 PolarHBondContact O-N 3.08Å; I30-L33 VanDerWaalsContact O-N 3.13Å; I30-K34 HydrophobicContact CG2-CD 4.07Å; I30-K34 HydrophobicContact CG2-CG 4.37Å; I30-K34 WeakPolarHBondContact O-CB 3.36Å; I30-K34 WeakPolarHBondContact O-CG 3.4Å; I30-K34 PolarHBondContact O-N 3.14Å; I30-L58 HydrophobicContact CD1-CB 3.99Å; I30-L58 HydrophobicContact CD1-CD2 3.77Å; I30-L58 HydrophobicContact CD1-CG 4.5Å; I30-L58 WeakPolarHBondContact CD1-O 3.49Å; I30-E61 HydrophobicContact CD1-CB 4.16Å; I30-E61 HydrophobicContact CD1-CG 4.26Å; I30-E61 HydrophobicContact CG2-CG 4.01Å; I30-E61 VanDerWaalsContact CG2-OE1 3.28Å; I30-E61 WeakPolarHBondContact CG2-OE1 3.42Å; I30-L62 HydrophobicContact CG1-CB 4.1Å; I30-L62 HydrophobicContact CG1-CD1 3.86Å; I30-L65 HydrophobicContact CG2-CD1 3.94Å
31K96.4Very high92Very high135 Ų13556.5 Ų56.559%0.58728%0.276SS*.Hα-helixtrans-57.6-43.8177.4-174.6177.7-178.41800111.4E27 L29 K34 I35E27-K31 VanDerWaalsContact O-CB 3.28Å; E27-K31 WeakPolarHBondContact O-CB 3.13Å; E27-K31 PolarHBondContact O-N 3.02Å; L29-K31 PolarHBondContact O-N 3.26Å; K31-K34 PolarHBondContact O-N 2.91Å; K31-I35 HydrophobicContact CG-CD1 4.15Å; K31-I35 WeakPolarHBondContact O-CD1 3.38Å; K31-I35 VanDerWaalsContact O-CG1 3.25Å; K31-I35 WeakPolarHBondContact O-CG1 3.4Å; K31-I35 PolarHBondContact O-N 3.43Å
32T95.5Very high91.8Very high59 Ų5953.1 Ų53.136%0.36226%0.258SS..Hα-helixtrans-61.9-45176.4-580000111.3L14 L28 L29 I30 I35 L36L14-T32 HydrophobicContact CD1-CG2 4.46Å; L14-T32 HydrophobicContact CD2-CG2 4.07Å; L28-T32 WeakPolarHBondContact O-CB 3.41Å; L28-T32 PolarHBondContact O-N 3.08Å; L28-T32 PolarHBondContact O-OG1 3.01Å; L29-T32 WeakPolarHBondContact O-CB 3.21Å; L29-T32 PolarHBondContact O-N 2.67Å; I30-T32 VanDerWaalsContact C-N 3.29Å; I30-T32 PolarHBondContact O-N 3.03Å; T32-I35 PolarHBondContact O-N 3.03Å; T32-L36 HydrophobicContact CG2-CD1 4.23Å; T32-L36 WeakPolarHBondContact O-CG 3.44Å; T32-L36 PolarHBondContact O-N 2.88Å
33L95.1Very high91.4Very high0 Ų058 Ų580%027%0.271CS..Hα-helixtrans-68.6-35.7178.3-66.8-168000112.8L14 L29 I30 L36 R37 I46 V48 L62 L65 A66L14-L33 HydrophobicContact CD2-CD2 3.55Å; L14-L33 HydrophobicContact CD2-CG 3.98Å; L29-L33 WeakPolarHBondContact O-CG 3.36Å; L29-L33 PolarHBondContact O-N 3.17Å; I30-L33 CarbonylContact O-C 3.55Å; I30-L33 PolarHBondContact O-N 3.08Å; I30-L33 VanDerWaalsContact O-N 3.13Å; L33-L36 HydrophobicContact CD2-CD1 4.11Å; L33-L36 PolarHBondContact O-N 3.38Å; L33-R37 WeakPolarHBondContact O-CB 3.43Å; L33-R37 WeakPolarHBondContact O-CG 3.37Å; L33-R37 PolarHBondContact O-N 2.82Å; L33-I46 HydrophobicContact CD1-CG2 4.23Å; L33-I46 HydrophobicContact CD2-CD1 3.88Å; L33-I46 HydrophobicContact CD2-CG2 3.62Å; L33-V48 HydrophobicContact CD1-CB 4.35Å; L33-V48 HydrophobicContact CD1-CG1 4.47Å; L33-V48 HydrophobicContact CD1-CG2 4.32Å; L33-L62 HydrophobicContact CD1-CD1 3.71Å; L33-L65 HydrophobicContact CB-CB 3.87Å; L33-L65 HydrophobicContact CB-CD1 3.99Å; L33-L65 HydrophobicContact CB-CG 4.46Å; L33-L65 HydrophobicContact CD1-CB 3.83Å; L33-A66 HydrophobicContact CD1-CB 4.28Å
34K94.3Very high91Very high73 Ų7355.2 Ų55.232%0.31726%0.258SS..Hα-helixtrans-63.3-46.4172.2-79.2-178.1159.8170.60111.6I30 K31 L36 R37 E38 E39 E61 L65I30-K34 HydrophobicContact CG2-CD 4.07Å; I30-K34 HydrophobicContact CG2-CG 4.37Å; I30-K34 WeakPolarHBondContact O-CB 3.36Å; I30-K34 WeakPolarHBondContact O-CG 3.4Å; I30-K34 PolarHBondContact O-N 3.14Å; K31-K34 PolarHBondContact O-N 2.91Å; K34-L36 VanDerWaalsContact C-N 3.25Å; K34-L36 PolarHBondContact O-N 3.28Å; K34-R37 PolarHBondContact O-N 3.49Å; K34-E38 WeakPolarHBondContact O-CA 3.23Å; K34-E38 VanDerWaalsContact O-CB 3.24Å; K34-E38 WeakPolarHBondContact O-CB 3.23Å; K34-E38 PolarHBondContact O-N 3.27Å; K34-E39 PolarHBondContact O-N 2.72Å; K34-E61 WeakPolarHBondContact CE-OE1 3.38Å; K34-E61 IonicContact NZ-OE1 3.59Å; K34-E61 PolarHBondContact NZ-OE1 2.88Å; K34-L65 HydrophobicContact CG-CD1 3.86Å; K34-L65 HydrophobicContact CG-CD2 4.19Å
35I92.4Very high91Very high55 Ų5555.7 Ų55.728%0.28226%0.26SS..Iπ-helixtrans-56.3-45172.7-68163000109.9K31 T32 E39 K40K31-I35 HydrophobicContact CG-CD1 4.15Å; K31-I35 WeakPolarHBondContact O-CD1 3.38Å; K31-I35 VanDerWaalsContact O-CG1 3.25Å; K31-I35 WeakPolarHBondContact O-CG1 3.4Å; K31-I35 PolarHBondContact O-N 3.43Å; T32-I35 PolarHBondContact O-N 3.03Å; I35-E39 WeakPolarHBondContact O-CB 3.35Å; I35-E39 PolarHBondContact O-N 2.8Å; I35-K40 HydrophobicContact CG2-CG 4.03Å; I35-K40 WeakPolarHBondContact O-CB 3.3Å; I35-K40 VanDerWaalsContact O-CG 3.31Å; I35-K40 WeakPolarHBondContact O-CG 3.3Å; I35-K40 PolarHBondContact O-N 3Å
36L91.4Very high91Very high22 Ų2255.6 Ų55.612%0.11526%0.259CS..Iπ-helixtrans-64.3-52.9179.2-74.1167.6000112.3M1 L12 T32 L33 K34 K40 G41 F42M1-L36 HydrophobicContact CG-CD2 4.4Å; M1-L36 HydrophobicContact SD-CD2 3.98Å; L12-L36 HydrophobicContact CD2-CD1 3.87Å; T32-L36 HydrophobicContact CG2-CD1 4.23Å; T32-L36 WeakPolarHBondContact O-CG 3.44Å; T32-L36 PolarHBondContact O-N 2.88Å; L33-L36 HydrophobicContact CD2-CD1 4.11Å; L33-L36 PolarHBondContact O-N 3.38Å; K34-L36 VanDerWaalsContact C-N 3.25Å; K34-L36 PolarHBondContact O-N 3.28Å; L36-K40 CarbonylContact O-C 3.18Å; L36-G41 PolarHBondContact O-N 3.34Å; L36-G41 VanDerWaalsContact O-N 3.16Å; L36-F42 HydrophobicContact CB-CB 4.09Å; L36-F42 HydrophobicContact CD2-CB 4.24Å; L36-F42 HydrophobicContact CD2-CG 4.38Å; L36-F42 VanDerWaalsContact O-CB 3.24Å; L36-F42 WeakPolarHBondContact O-CB 3.45Å; L36-F42 PolarHBondContact O-N 3.48Å
37R88.5Confident91.1Very high61 Ų6156.6 Ų56.623%0.2326%0.264CS..Iπ-helixtrans-74.5-47.6-174.9-69.2-58.7-165.2-158.24.4113L33 K34 F42 G44 I46 L65 D67L33-R37 WeakPolarHBondContact O-CB 3.43Å; L33-R37 WeakPolarHBondContact O-CG 3.37Å; L33-R37 PolarHBondContact O-N 2.82Å; K34-R37 PolarHBondContact O-N 3.49Å; R37-F42 VanDerWaalsContact CD-O 3.28Å; R37-F42 WeakPolarHBondContact CD-O 3.23Å; R37-F42 PolarHBondContact NH1-O 3.01Å; R37-G44 PolarHBondContact NH1-O 3.45Å; R37-I46 HydrophobicContact CG-CD1 4.37Å; R37-L65 HydrophobicContact CG-CD2 4.43Å; R37-L65 PolarHBondContact NE-O 3.33Å; R37-L65 VanDerWaalsContact NE-O 3.17Å; R37-D67 IonicContact CZ-OD2 2.88Å; R37-D67 IonicContact NH2-OD1 2.71Å; R37-D67 IonicContact NH2-OD2 2.72Å; R37-D67 PolarHBondContact NH2-OD2 3.36Å
38E87.8Confident91.1Very high124 Ų12451.8 Ų51.858%0.57924%0.242SC*.Iπ-helixtrans-93.6-46.7-167.9-55.9176.4179.800112.4K34K34-E38 WeakPolarHBondContact O-CA 3.23Å; K34-E38 VanDerWaalsContact O-CB 3.24Å; K34-E38 WeakPolarHBondContact O-CB 3.23Å; K34-E38 PolarHBondContact O-N 3.27Å
39E84.7Confident91Very high125 Ų12550.4 Ų50.458%0.58423%0.233SC*.Iπ-helixtrans-85.7-36.5-177-59.9179.6-159.900113K34 I35K34-E39 PolarHBondContact O-N 2.72Å; I35-E39 WeakPolarHBondContact O-CB 3.35Å; I35-E39 PolarHBondContact O-N 2.8Å
40K82.2Confident90.8Very high81 Ų8150 Ų5035%0.35223%0.231SC..SBendtrans-104.6-7.6-173.9-61.6-59.8175.4-162.60114.1M1 I35 L36 F42M1-K40 HydrophobicContact CE-CB 3.83Å; M1-K40 VanDerWaalsContact CE-O 3.27Å; M1-K40 WeakPolarHBondContact CE-O 3.38Å; M1-K40 HydrophobicContact CG-CB 3.88Å; M1-K40 HydrophobicContact CG-CD 4.31Å; M1-K40 HydrophobicContact CG-CG 3.94Å; M1-K40 HydrophobicContact SD-CB 3.75Å; M1-K40 HydrophobicContact SD-CG 4.46Å; I35-K40 HydrophobicContact CG2-CG 4.03Å; I35-K40 WeakPolarHBondContact O-CB 3.3Å; I35-K40 VanDerWaalsContact O-CG 3.31Å; I35-K40 WeakPolarHBondContact O-CG 3.3Å; I35-K40 PolarHBondContact O-N 3Å; L36-K40 CarbonylContact O-C 3.18Å; K40-F42 PolarHBondContact O-N 2.92Å
41G80.5Confident90.5Very high24 Ų2449.8 Ų49.825%0.24723%0.23CC..  trans60.128.8178.800000114.1L36 R43L36-G41 PolarHBondContact O-N 3.34Å; L36-G41 VanDerWaalsContact O-N 3.16Å; G41-R43 PolarHBondContact O-N 2.92Å
42F85.6Confident90.1Very high4 Ų445.1 Ų45.12%0.01821%0.213CC..  trans-66.2113.6176.3-178.1-93.4000110M1 Y4 L12 L36 R37 K40 G44 I46M1-F42 HydrophobicContact CE-CB 4.48Å; M1-F42 HydrophobicContact SD-CB 3.9Å; M1-F42 HydrophobicContact SD-CD2 3.92Å; M1-F42 HydrophobicContact SD-CG 4.35Å; Y4-F42 AromaticContact CD1-CD2 3.58Å; Y4-F42 HydrophobicContact CD1-CD2 3.58Å; Y4-F42 HydrophobicContact CD1-CE2 4.08Å; Y4-F42 AromaticContact CD2-CD2 3.83Å; Y4-F42 HydrophobicContact CD2-CD2 3.83Å; Y4-F42 AromaticContact CD2-CE2 3.45Å; Y4-F42 HydrophobicContact CD2-CE2 3.45Å; Y4-F42 VanDerWaalsContact CD2-CE2 3.45Å; Y4-F42 HydrophobicContact CD2-CZ 4.33Å; Y4-F42 AromaticContact CE1-CD2 3.95Å; Y4-F42 HydrophobicContact CE1-CD2 3.95Å; Y4-F42 HydrophobicContact CE2-CD2 4.21Å; Y4-F42 AromaticContact CE2-CE2 3.98Å; Y4-F42 HydrophobicContact CE2-CE2 3.98Å; Y4-F42 AromaticContact CG-CD2 3.5Å; Y4-F42 HydrophobicContact CG-CD2 3.5Å; Y4-F42 AromaticContact CG-CE2 3.5Å; Y4-F42 HydrophobicContact CG-CE2 3.5Å; L12-F42 HydrophobicContact CD2-CD1 4.35Å; L12-F42 HydrophobicContact CD2-CE1 3.74Å; L12-F42 HydrophobicContact CD2-CE2 4.16Å; L12-F42 HydrophobicContact CD2-CZ 3.62Å; L12-F42 HydrophobicContact CG-CE1 4.1Å; L12-F42 HydrophobicContact CG-CZ 4.06Å; L36-F42 HydrophobicContact CB-CB 4.09Å; L36-F42 HydrophobicContact CD2-CB 4.24Å; L36-F42 HydrophobicContact CD2-CG 4.38Å; L36-F42 VanDerWaalsContact O-CB 3.24Å; L36-F42 WeakPolarHBondContact O-CB 3.45Å; L36-F42 PolarHBondContact O-N 3.48Å; R37-F42 VanDerWaalsContact CD-O 3.28Å; R37-F42 WeakPolarHBondContact CD-O 3.23Å; R37-F42 PolarHBondContact NH1-O 3.01Å; K40-F42 PolarHBondContact O-N 2.92Å; F42-G44 VanDerWaalsContact CE1-C 3.48Å; F42-G44 VanDerWaalsContact CE1-O 3.25Å; F42-G44 WeakPolarHBondContact CE1-O 3.38Å; F42-I46 HydrophobicContact CD1-CD1 3.83Å; F42-I46 HydrophobicContact CD1-CG1 3.93Å; F42-I46 HydrophobicContact CE1-CD1 4.02Å; F42-I46 HydrophobicContact CE1-CG1 3.59Å
43R82.7Confident89.7Confident138 Ų13844 Ų4452%0.52121%0.214SC..  trans-105.72.3178.6-67.6-176.8170.5-135.5-11.1113.9Y4 G41 Q599 S600Y4-R43 PolarHBondContact OH-N 3.07Å; G41-R43 PolarHBondContact O-N 2.92Å; R43-Q599 WeakPolarHBondContact CD-O 3.49Å; R43-Q599 PolarHBondContact NE-O 3.27Å; R43-S600 VanDerWaalsContact CZ-CA 3.41Å; R43-S600 VanDerWaalsContact NH2-CA 3.32Å; R43-S600 VanDerWaalsContact NH2-CB 3.31Å
44G85.7Confident89.4Confident5 Ų544.4 Ų44.45%0.05222%0.217CC..SBendtrans-63.3165.6174.500000112.6Y4 E10 R37 F42 I46Y4-G44 PolarHBondContact OH-N 3.43Å; E10-G44 CarbonylContact O-C 3.51Å; E10-G44 WeakPolarHBondContact O-CA 3.37Å; R37-G44 PolarHBondContact NH1-O 3.45Å; F42-G44 VanDerWaalsContact CE1-C 3.48Å; F42-G44 VanDerWaalsContact CE1-O 3.25Å; F42-G44 WeakPolarHBondContact CE1-O 3.38Å; G44-I46 PolarHBondContact O-N 2.99Å
45Y93.5Very high89.4Confident86 Ų8644.8 Ų44.834%0.33722%0.223SC..EExtended strand (participates in β ladder)trans-63.9125.7177.7174.8-97000111.1E10 G11 L12 H47 D67 R68 A122E10-Y45 PolarHBondContact O-N 3.5Å; G11-Y45 CarbonylContact C-O 3.54Å; G11-Y45 WeakPolarHBondContact CA-O 3.45Å; L12-Y45 PolarHBondContact N-O 2.94Å; Y45-H47 HydrophobicContact CD1-CB 4.49Å; Y45-H47 HydrophobicContact CE1-CB 3.66Å; Y45-D67 WeakPolarHBondContact CA-OD2 3.37Å; Y45-D67 HydrophobicContact CD2-CB 3.65Å; Y45-D67 HydrophobicContact CE2-CB 3.73Å; Y45-R68 HydrophobicContact CE2-CB 4.4Å; Y45-R68 WeakPolarHBondContact OH-CB 3.27Å; Y45-R68 VanDerWaalsContact OH-CD 3.27Å; Y45-R68 WeakPolarHBondContact OH-CD 3.03Å; Y45-R68 VanDerWaalsContact OH-CZ 3.27Å; Y45-R68 PolarHBondContact OH-NE 2.87Å; Y45-R68 PolarHBondContact OH-NH1 3.33Å; Y45-A122 HydrophobicContact CE2-CB 3.82Å
46I95.5Very high89.3Confident0 Ų046.7 Ų46.70%023%0.23CC..EExtended strand (participates in β ladder)trans-112.2115.3176.3-62.1-174000109.4L12 L33 R37 F42 G44 A66 D67 R68L12-I46 HydrophobicContact CD1-CG1 4.31Å; L12-I46 HydrophobicContact CD1-CG2 4.14Å; L12-I46 HydrophobicContact CG-CG1 4.29Å; L33-I46 HydrophobicContact CD1-CG2 4.23Å; L33-I46 HydrophobicContact CD2-CD1 3.88Å; L33-I46 HydrophobicContact CD2-CG2 3.62Å; R37-I46 HydrophobicContact CG-CD1 4.37Å; F42-I46 HydrophobicContact CD1-CD1 3.83Å; F42-I46 HydrophobicContact CD1-CG1 3.93Å; F42-I46 HydrophobicContact CE1-CD1 4.02Å; F42-I46 HydrophobicContact CE1-CG1 3.59Å; G44-I46 PolarHBondContact O-N 2.99Å; I46-A66 HydrophobicContact CG2-CB 4.04Å; I46-D67 PolarHBondContact N-OD2 3.01Å; I46-D67 WeakPolarHBondContact O-CB 3.41Å; I46-D67 PolarHBondContact O-N 3.33Å; I46-R68 PolarHBondContact O-N 2.96Å; I46-R68 VanDerWaalsContact O-N 3.13Å
47H95.9Very high89.5Confident21 Ų2153.2 Ų53.210%0.09726%0.258CS..EExtended strand (participates in β ladder)trans-105.3117.9166.4-178.1-167.2000109L12 F13 L14 Y45 R68 S70 S125L12-H47 PolarHBondContact O-N 3.44Å; F13-H47 CarbonylContact C-O 3.6Å; F13-H47 VanDerWaalsContact CA-O 3.27Å; F13-H47 WeakPolarHBondContact CA-O 3.48Å; F13-H47 HydrophobicContact CD2-CB 3.9Å; F13-H47 AromaticContact CD2-CE1 3.94Å; F13-H47 AromaticContact CD2-CG 3.57Å; F13-H47 AromaticContact CD2-ND1 3.41Å; F13-H47 WeakPolarHBondContact CD2-ND1 3.36Å; F13-H47 WeakPolarHBondContact CD2-O 3.46Å; F13-H47 AromaticContact CE2-CE1 3.73Å; F13-H47 AromaticContact CE2-CG 3.95Å; F13-H47 AromaticContact CE2-ND1 3.69Å; L14-H47 PolarHBondContact N-O 3.4Å; Y45-H47 HydrophobicContact CD1-CB 4.49Å; Y45-H47 HydrophobicContact CE1-CB 3.66Å; H47-R68 WeakPolarHBondContact CA-O 3.48Å; H47-R68 HydrophobicContact CB-CB 4.31Å; H47-R68 PolarHBondContact CD2-O 3.18Å; H47-S70 WeakPolarHBondContact NE2-CB 3.33Å; H47-S70 PolarHBondContact NE2-OG 3.07Å; H47-S125 PolarHBondContact NE2-OG 3.28Å
48V96Very high89.8Confident0 Ų051.5 Ų51.50%025%0.253CS..EExtended strand (participates in β ladder)trans-114.8143.7-178.771.60000112.1L14 L33 L62 A66 R68 M69 S70L14-V48 HydrophobicContact CB-CG2 4.23Å; L14-V48 HydrophobicContact CD2-CG2 4.39Å; L14-V48 CarbonylContact O-C 3.52Å; L14-V48 WeakPolarHBondContact O-CA 3.47Å; L33-V48 HydrophobicContact CD1-CB 4.35Å; L33-V48 HydrophobicContact CD1-CG1 4.47Å; L33-V48 HydrophobicContact CD1-CG2 4.32Å; V48-L62 HydrophobicContact CG1-CD1 4.31Å; V48-L62 HydrophobicContact CG1-CD2 4.04Å; V48-L62 HydrophobicContact CG1-CG 3.87Å; V48-L62 HydrophobicContact CG2-CD1 4.04Å; V48-L62 HydrophobicContact CG2-CD2 4.17Å; V48-L62 HydrophobicContact CG2-CG 4.32Å; V48-A66 HydrophobicContact CB-CB 4.16Å; V48-A66 HydrophobicContact CG1-CB 3.41Å; V48-A66 VanDerWaalsContact CG1-CB 3.41Å; V48-R68 PolarHBondContact N-O 3.27Å; V48-M69 HydrophobicContact CG1-CG 3.64Å; V48-M69 CarbonylContact O-C 3.16Å; V48-M69 VanDerWaalsContact O-CA 3.27Å; V48-M69 WeakPolarHBondContact O-CA 3.3Å; V48-S70 PolarHBondContact O-N 3.3Å
49K94.1Very high90.1Very high30 Ų3045.6 Ų45.613%0.1323%0.225CC..EExtended strand (participates in β ladder)trans-89116.9171.3-172.1178.6166.8-178.80110.2F13 L14 S15 S70 N72F13-K49 HydrophobicContact CZ-CB 4.4Å; L14-K49 PolarHBondContact O-N 3.11Å; S15-K49 WeakPolarHBondContact OG-CD 3.34Å; K49-S70 CarbonylContact C-O 3.01Å; K49-S70 VanDerWaalsContact CA-O 3.29Å; K49-S70 WeakPolarHBondContact CA-O 3.23Å; K49-N72 VanDerWaalsContact CE-CB 3.47Å; K49-N72 WeakPolarHBondContact CE-ND2 3.47Å; K49-N72 VanDerWaalsContact CE-OD1 3.31Å; K49-N72 WeakPolarHBondContact CE-OD1 3.44Å; K49-N72 PolarHBondContact NZ-ND2 3.14Å
50A92.5Very high90.5Very high0 Ų043.1 Ų43.10%021%0.214CC..PPolyproline II helixtrans-68.3141.4171.300000110.5P52 I59 M69 S70 V71A50-P52 WeakPolarHBondContact O-CD 3.44Å; A50-I59 HydrophobicContact CB-CD1 4.07Å; A50-M69 HydrophobicContact CB-CE 3.73Å; A50-S70 PolarHBondContact N-O 3.49Å; A50-V71 HydrophobicContact CB-CG2 3.92Å
51I90.1Very high91.1Very high3 Ų342.3 Ų42.32%0.01521%0.211CC..PPolyproline II helixtrans-94.1116-179.1-53-58.5000108.7I18 P22 T25 L29 A54I18-I51 HydrophobicContact CD1-CG2 4.19Å; I18-I51 HydrophobicContact CG1-CG2 3.83Å; P22-I51 HydrophobicContact CB-CG2 3.92Å; T25-I51 HydrophobicContact CG2-CD1 4.07Å; T25-I51 HydrophobicContact CG2-CG1 4.02Å; L29-I51 HydrophobicContact CD1-CD1 4Å; L29-I51 HydrophobicContact CD1-CG1 3.82Å; I51-A54 WeakPolarHBondContact O-CB 3.44Å; I51-A54 PolarHBondContact O-N 3.42Å
52P87.5Confident91.8Very high36 Ų3641.1 Ų41.123%0.23420%0.199CC..THydrogen-bonded Turntrans-57.3141.3174.1-2434.7000111.6A50 A54 V71 L93A50-P52 WeakPolarHBondContact O-CD 3.44Å; P52-A54 VanDerWaalsContact C-N 3.33Å; P52-V71 HydrophobicContact CG-CG1 4.23Å; P52-L93 HydrophobicContact CG-CD1 4.13Å
53G87Confident92.2Very high37 Ų3741 Ų4138%0.38120%0.199SC..THydrogen-bonded Turntrans83.2-3.2-179.100000115.7
54A90.6Very high92.8Very high8 Ų837.6 Ų37.67%0.06619%0.188CC..  trans-72.6153.8173.400000112.2P22 D23 C26 I51 P52 I59P22-A54 HydrophobicContact CB-CB 4.19Å; D23-A54 WeakPolarHBondContact OD1-CA 3.41Å; C26-A54 HydrophobicContact CB-CB 3.94Å; I51-A54 WeakPolarHBondContact O-CB 3.44Å; I51-A54 PolarHBondContact O-N 3.42Å; P52-A54 VanDerWaalsContact C-N 3.33Å; A54-I59 HydrophobicContact CB-CD1 4Å; A54-I59 HydrophobicContact CB-CG1 4.25Å
55D92.5Very high93.2Very high81 Ų8138.3 Ų38.343%0.43319%0.19SC..  trans-53.7140175.2-169.5-64.7000110.9D23 K57 L58 I59D23-D55 PolarHBondContact OD1-N 3.49Å; D55-K57 PolarHBondContact O-N 3.28Å; D55-K57 WeakPolarHBondContact OD1-CB 3.43Å; D55-K57 PolarHBondContact OD1-N 3.41Å; D55-L58 HydrophobicContact CB-CD1 4.08Å; D55-L58 HydrophobicContact CB-CG 4.13Å; D55-L58 WeakPolarHBondContact O-CB 3.04Å; D55-L58 PolarHBondContact O-N 3.49Å; D55-I59 PolarHBondContact O-N 3.43Å; D55-I59 VanDerWaalsContact O-N 3.11Å
56E92Very high93.3Very high95 Ų9534.3 Ų34.344%0.44418%0.175SC..Hα-helixtrans-57.2-40.1-178.9-66.5-179.6-163.300111.1L58 I59 E60 K95 Q99E56-L58 VanDerWaalsContact C-N 3.27Å; E56-L58 PolarHBondContact O-N 2.98Å; E56-I59 PolarHBondContact O-N 3.29Å; E56-E60 WeakPolarHBondContact O-CB 3.45Å; E56-E60 PolarHBondContact O-N 3.49Å; E56-K95 WeakPolarHBondContact OE1-CE 3.45Å; E56-K95 IonicContact OE1-NZ 2.82Å; E56-K95 PolarHBondContact OE1-NZ 3.07Å; E56-Q99 PolarHBondContact O-NE2 3.28Å
57K94.3Very high93.2Very high158 Ų15836.2 Ų36.269%0.68719%0.185SC*.Hα-helixtrans-62.2-36.1178.4-66.6-178.7179.8177.50112.4D55 E60 E61D55-K57 PolarHBondContact O-N 3.28Å; D55-K57 WeakPolarHBondContact OD1-CB 3.43Å; D55-K57 PolarHBondContact OD1-N 3.41Å; K57-E60 PolarHBondContact O-N 2.97Å; K57-E61 WeakPolarHBondContact O-CB 3.42Å; K57-E61 PolarHBondContact O-N 3.05Å
58L95.5Very high93.2Very high25 Ų2537.8 Ų37.813%0.13119%0.19CC..Hα-helixtrans-70.2-42.8177.6-62.9175.4000111D23 C26 E27 I30 D55 E56 E60 E61 L62D23-L58 HydrophobicContact CB-CD1 3.85Å; C26-L58 HydrophobicContact CB-CB 4.21Å; C26-L58 HydrophobicContact CB-CD1 4.25Å; E27-L58 HydrophobicContact CG-CD1 4.2Å; E27-L58 HydrophobicContact CG-CD2 4.05Å; I30-L58 HydrophobicContact CD1-CB 3.99Å; I30-L58 HydrophobicContact CD1-CD2 3.77Å; I30-L58 HydrophobicContact CD1-CG 4.5Å; I30-L58 WeakPolarHBondContact CD1-O 3.49Å; D55-L58 HydrophobicContact CB-CD1 4.08Å; D55-L58 HydrophobicContact CB-CG 4.13Å; D55-L58 WeakPolarHBondContact O-CB 3.04Å; D55-L58 PolarHBondContact O-N 3.49Å; E56-L58 VanDerWaalsContact C-N 3.27Å; E56-L58 PolarHBondContact O-N 2.98Å; L58-E60 VanDerWaalsContact C-N 3.28Å; L58-E60 PolarHBondContact O-N 3.46Å; L58-E61 PolarHBondContact O-N 3.22Å; L58-L62 VanDerWaalsContact O-CB 3.24Å; L58-L62 WeakPolarHBondContact O-CB 3.47Å; L58-L62 PolarHBondContact O-N 3Å
59I93.7Very high93.2Very high1 Ų137.8 Ų37.81%0.00519%0.19CC..Hα-helixtrans-61.2-39.5174.9-64.7-57.8000111.3A50 A54 D55 E56 G63 M69 P96 I100A50-I59 HydrophobicContact CB-CD1 4.07Å; A54-I59 HydrophobicContact CB-CD1 4Å; A54-I59 HydrophobicContact CB-CG1 4.25Å; D55-I59 PolarHBondContact O-N 3.43Å; D55-I59 VanDerWaalsContact O-N 3.11Å; E56-I59 PolarHBondContact O-N 3.29Å; I59-G63 PolarHBondContact O-N 3.04Å; I59-G63 VanDerWaalsContact O-N 3.12Å; I59-M69 HydrophobicContact CG2-CE 3.9Å; I59-P96 HydrophobicContact CG2-CB 4.43Å; I59-I100 HydrophobicContact CG2-CG1 4.18Å
60E93.9Very high93.2Very high72 Ų7236.6 Ų36.634%0.33619%0.186SC..Hα-helixtrans-65.6-50.9176.7-179.1173.7-167.800111.4E56 K57 L58 L62 G63 F64 F119E56-E60 WeakPolarHBondContact O-CB 3.45Å; E56-E60 PolarHBondContact O-N 3.49Å; K57-E60 PolarHBondContact O-N 2.97Å; L58-E60 VanDerWaalsContact C-N 3.28Å; L58-E60 PolarHBondContact O-N 3.46Å; E60-L62 VanDerWaalsContact C-N 3.27Å; E60-L62 PolarHBondContact O-N 3.4Å; E60-G63 PolarHBondContact O-N 3.24Å; E60-F64 HydrophobicContact CG-CD2 4.01Å; E60-F64 HydrophobicContact CG-CE2 3.56Å; E60-F64 WeakPolarHBondContact O-CD2 3.27Å; E60-F64 PolarHBondContact O-N 3.35Å; E60-F119 HydrophobicContact CG-CE2 4.42Å; E60-F119 WeakPolarHBondContact O-CE2 3.37Å
61E94.6Very high93.1Very high64 Ų6436.7 Ų36.730%0.29919%0.186SC..Hα-helixtrans-57.5-42176.6-175.8176177.600111.8I30 K34 K57 L58 G63 F64 L65I30-E61 HydrophobicContact CD1-CB 4.16Å; I30-E61 HydrophobicContact CD1-CG 4.26Å; I30-E61 HydrophobicContact CG2-CG 4.01Å; I30-E61 VanDerWaalsContact CG2-OE1 3.28Å; I30-E61 WeakPolarHBondContact CG2-OE1 3.42Å; K34-E61 WeakPolarHBondContact CE-OE1 3.38Å; K34-E61 IonicContact NZ-OE1 3.59Å; K34-E61 PolarHBondContact NZ-OE1 2.88Å; K57-E61 WeakPolarHBondContact O-CB 3.42Å; K57-E61 PolarHBondContact O-N 3.05Å; L58-E61 PolarHBondContact O-N 3.22Å; E61-G63 VanDerWaalsContact C-N 3.27Å; E61-G63 PolarHBondContact O-N 2.94Å; E61-F64 PolarHBondContact O-N 3.23Å; E61-L65 HydrophobicContact CG-CD1 4.5Å; E61-L65 PolarHBondContact O-N 3.47Å
62L95.1Very high92.8Very high0 Ų037.5 Ų37.50%019%0.191CC..Hα-helixtrans-59.4-38.8175.9-170.569.9000112L29 I30 L33 V48 L58 E60 L65 A66 M69L29-L62 HydrophobicContact CB-CD1 3.94Å; I30-L62 HydrophobicContact CG1-CB 4.1Å; I30-L62 HydrophobicContact CG1-CD1 3.86Å; L33-L62 HydrophobicContact CD1-CD1 3.71Å; V48-L62 HydrophobicContact CG1-CD1 4.31Å; V48-L62 HydrophobicContact CG1-CD2 4.04Å; V48-L62 HydrophobicContact CG1-CG 3.87Å; V48-L62 HydrophobicContact CG2-CD1 4.04Å; V48-L62 HydrophobicContact CG2-CD2 4.17Å; V48-L62 HydrophobicContact CG2-CG 4.32Å; L58-L62 VanDerWaalsContact O-CB 3.24Å; L58-L62 WeakPolarHBondContact O-CB 3.47Å; L58-L62 PolarHBondContact O-N 3Å; E60-L62 VanDerWaalsContact C-N 3.27Å; E60-L62 PolarHBondContact O-N 3.4Å; L62-L65 PolarHBondContact O-N 2.71Å; L62-A66 PolarHBondContact O-N 3.28Å; L62-M69 HydrophobicContact CB-CE 4.44Å; L62-M69 HydrophobicContact CD2-CE 4.09Å; L62-M69 HydrophobicContact CG-CE 4.42Å
63G94.4Very high92.6Very high0 Ų035.8 Ų35.80%018%0.18CC..Hα-helixtrans-74.5-22.7179.900000115.2I59 E60 E61 L65 M69 F119 V120I59-G63 PolarHBondContact O-N 3.04Å; I59-G63 VanDerWaalsContact O-N 3.12Å; E60-G63 PolarHBondContact O-N 3.24Å; E61-G63 VanDerWaalsContact C-N 3.27Å; E61-G63 PolarHBondContact O-N 2.94Å; G63-L65 VanDerWaalsContact C-N 3.29Å; G63-M69 WeakPolarHBondContact CA-SD 3.43Å; G63-F119 VanDerWaalsContact C-CD2 3.46Å; G63-F119 VanDerWaalsContact CA-CE2 3.49Å; G63-V120 PolarHBondContact O-N 2.98Å; G63-V120 VanDerWaalsContact O-N 3.07Å
64F94.1Very high92.3Very high67 Ų6736.7 Ų36.729%0.29417%0.174SC..Hα-helixtrans-75.1-19.4169.6-77.3-70.5000113.3E60 E61 P117 F119E60-F64 HydrophobicContact CG-CD2 4.01Å; E60-F64 HydrophobicContact CG-CE2 3.56Å; E60-F64 WeakPolarHBondContact O-CD2 3.27Å; E60-F64 PolarHBondContact O-N 3.35Å; E61-F64 PolarHBondContact O-N 3.23Å; F64-P117 HydrophobicContact CD1-CB 4.02Å; F64-P117 HydrophobicContact CD1-CG 3.7Å; F64-P117 WeakPolarHBondContact CD1-O 3.47Å; F64-P117 HydrophobicContact CE1-CG 3.93Å; F64-P117 VanDerWaalsContact CE1-O 3.29Å; F64-P117 WeakPolarHBondContact CE1-O 3.42Å; F64-F119 HydrophobicContact CD1-CB 4.2Å; F64-F119 HydrophobicContact CD1-CD2 4.32Å; F64-F119 HydrophobicContact CD2-CD2 4.05Å; F64-F119 HydrophobicContact CE1-CB 4.09Å; F64-F119 HydrophobicContact CE1-CD2 4.46Å; F64-F119 HydrophobicContact CE2-CD2 4.14Å; F64-F119 HydrophobicContact CG-CD2 4.14Å; F64-F119 HydrophobicContact CZ-CD2 4.34Å
65L94.1Very high91.8Very high20 Ų2036.9 Ų36.911%0.10517%0.174CC..Hα-helixtrans-94.5-17.6-180-65.6167.9000113.2I30 L33 K34 R37 E61 L62 G63I30-L65 HydrophobicContact CG2-CD1 3.94Å; L33-L65 HydrophobicContact CB-CB 3.87Å; L33-L65 HydrophobicContact CB-CD1 3.99Å; L33-L65 HydrophobicContact CB-CG 4.46Å; L33-L65 HydrophobicContact CD1-CB 3.83Å; K34-L65 HydrophobicContact CG-CD1 3.86Å; K34-L65 HydrophobicContact CG-CD2 4.19Å; R37-L65 HydrophobicContact CG-CD2 4.43Å; R37-L65 PolarHBondContact NE-O 3.33Å; R37-L65 VanDerWaalsContact NE-O 3.17Å; E61-L65 HydrophobicContact CG-CD1 4.5Å; E61-L65 PolarHBondContact O-N 3.47Å; L62-L65 PolarHBondContact O-N 2.71Å; G63-L65 VanDerWaalsContact C-N 3.29Å
66A95.3Very high90.8Very high2 Ų233.2 Ų33.22%0.01716%0.155CC..  trans-114.5149.5-172.800000113.8L33 I46 V48 L62 M69L33-A66 HydrophobicContact CD1-CB 4.28Å; I46-A66 HydrophobicContact CG2-CB 4.04Å; V48-A66 HydrophobicContact CB-CB 4.16Å; V48-A66 HydrophobicContact CG1-CB 3.41Å; V48-A66 VanDerWaalsContact CG1-CB 3.41Å; L62-A66 PolarHBondContact O-N 3.28Å; A66-M69 HydrophobicContact CB-CG 4.48Å
67D94.6Very high90Very high40 Ų4029.8 Ų29.821%0.21414%0.141CC..SBendtrans-79.8-37.4176.6-62.8-74.4000111.8R37 Y45 I46 V120 P121 A122R37-D67 IonicContact CZ-OD2 2.88Å; R37-D67 IonicContact NH2-OD1 2.71Å; R37-D67 IonicContact NH2-OD2 2.72Å; R37-D67 PolarHBondContact NH2-OD2 3.36Å; Y45-D67 WeakPolarHBondContact CA-OD2 3.37Å; Y45-D67 HydrophobicContact CD2-CB 3.65Å; Y45-D67 HydrophobicContact CE2-CB 3.73Å; I46-D67 PolarHBondContact N-OD2 3.01Å; I46-D67 WeakPolarHBondContact O-CB 3.41Å; I46-D67 PolarHBondContact O-N 3.33Å; D67-V120 CarbonylContact O-C 3.12Å; D67-V120 WeakPolarHBondContact O-CA 3.04Å; D67-P121 WeakPolarHBondContact O-CD 3.41Å; D67-A122 HydrophobicContact CB-CB 4.48Å; D67-A122 WeakPolarHBondContact O-CA 3.37Å; D67-A122 VanDerWaalsContact O-CB 3.25Å; D67-A122 WeakPolarHBondContact O-CB 3.32Å; D67-A122 PolarHBondContact O-N 3.02Å
68R95.6Very high89.2Confident55 Ų5528.7 Ų28.721%0.20813%0.132CC..EExtended strand (participates in β ladder)trans-134.4144.1175.5-179.8172.2-71.4158.72.8110Y45 I46 H47 V48 A122 G123Y45-R68 HydrophobicContact CE2-CB 4.4Å; Y45-R68 WeakPolarHBondContact OH-CB 3.27Å; Y45-R68 VanDerWaalsContact OH-CD 3.27Å; Y45-R68 WeakPolarHBondContact OH-CD 3.03Å; Y45-R68 VanDerWaalsContact OH-CZ 3.27Å; Y45-R68 PolarHBondContact OH-NE 2.87Å; Y45-R68 PolarHBondContact OH-NH1 3.33Å; I46-R68 PolarHBondContact O-N 2.96Å; I46-R68 VanDerWaalsContact O-N 3.13Å; H47-R68 WeakPolarHBondContact CA-O 3.48Å; H47-R68 HydrophobicContact CB-CB 4.31Å; H47-R68 PolarHBondContact CD2-O 3.18Å; V48-R68 PolarHBondContact N-O 3.27Å; R68-A122 HydrophobicContact CB-CB 4.11Å; R68-A122 PolarHBondContact NE-O 3.34Å; R68-A122 VanDerWaalsContact NE-O 3.14Å; R68-A122 PolarHBondContact NH2-O 3.07Å; R68-A122 VanDerWaalsContact NH2-O 3.14Å; R68-G123 WeakPolarHBondContact CA-O 3.3Å; R68-G123 WeakPolarHBondContact CG-O 3.29Å
69M95.4Very high88.4Confident0 Ų034.1 Ų34.10%016%0.157CC..EExtended strand (participates in β ladder)trans-115.9142.4169-76.7171.378.200112.1V48 A50 I59 L62 G63 A66 I100 V120 G123 Q124 S125V48-M69 HydrophobicContact CG1-CG 3.64Å; V48-M69 CarbonylContact O-C 3.16Å; V48-M69 VanDerWaalsContact O-CA 3.27Å; V48-M69 WeakPolarHBondContact O-CA 3.3Å; A50-M69 HydrophobicContact CB-CE 3.73Å; I59-M69 HydrophobicContact CG2-CE 3.9Å; L62-M69 HydrophobicContact CB-CE 4.44Å; L62-M69 HydrophobicContact CD2-CE 4.09Å; L62-M69 HydrophobicContact CG-CE 4.42Å; G63-M69 WeakPolarHBondContact CA-SD 3.43Å; A66-M69 HydrophobicContact CB-CG 4.48Å; M69-I100 HydrophobicContact CB-CD1 4.11Å; M69-I100 HydrophobicContact CE-CD1 3.75Å; M69-I100 HydrophobicContact CE-CG1 4.05Å; M69-I100 HydrophobicContact SD-CD1 4.22Å; M69-I100 HydrophobicContact SD-CG1 4.24Å; M69-V120 HydrophobicContact CB-CG1 3.83Å; M69-V120 HydrophobicContact CG-CG1 3.37Å; M69-V120 HydrophobicContact SD-CG1 3.44Å; M69-V120 WeakPolarHBondContact SD-CG1 3.4Å; M69-G123 PolarHBondContact N-O 2.86Å; M69-Q124 CarbonylContact O-C 3.37Å; M69-Q124 WeakPolarHBondContact O-CA 3.42Å; M69-Q124 WeakPolarHBondContact O-CB 3.47Å; M69-S125 PolarHBondContact O-N 2.8Å
70S93.8Very high87.9Confident5 Ų534.5 Ų34.54%0.03516%0.16CC..EExtended strand (participates in β ladder)trans-122.6144.7169.859.90000112.9H47 V48 K49 A50 S125H47-S70 WeakPolarHBondContact NE2-CB 3.33Å; H47-S70 PolarHBondContact NE2-OG 3.07Å; V48-S70 PolarHBondContact O-N 3.3Å; K49-S70 CarbonylContact C-O 3.01Å; K49-S70 VanDerWaalsContact CA-O 3.29Å; K49-S70 WeakPolarHBondContact CA-O 3.23Å; A50-S70 PolarHBondContact N-O 3.49Å; S70-S125 WeakPolarHBondContact CA-O 3.42Å; S70-S125 WeakPolarHBondContact CB-O 3.5Å
71V90.8Very high87.3Confident1 Ų131.3 Ų31.31%0.00615%0.145CC..EExtended strand (participates in β ladder)trans-117.9123.3169.1-177.20000107.2A50 P52 V73 L93 P96 M97 I100 S125 T126A50-V71 HydrophobicContact CB-CG2 3.92Å; P52-V71 HydrophobicContact CG-CG1 4.23Å; V71-V73 PolarHBondContact O-N 2.77Å; V71-L93 HydrophobicContact CG1-CD1 4.45Å; V71-L93 WeakPolarHBondContact CG1-O 3.37Å; V71-P96 HydrophobicContact CG2-CB 4.08Å; V71-M97 HydrophobicContact CB-CG 3.73Å; V71-M97 HydrophobicContact CB-SD 4.26Å; V71-M97 HydrophobicContact CG1-CG 4.11Å; V71-M97 HydrophobicContact CG1-SD 4.47Å; V71-M97 HydrophobicContact CG2-CG 3.66Å; V71-I100 HydrophobicContact CG2-CD1 4.26Å; V71-S125 PolarHBondContact N-O 3.38Å; V71-S125 VanDerWaalsContact N-O 3.14Å; V71-T126 VanDerWaalsContact O-CA 3.28Å; V71-T126 WeakPolarHBondContact O-CA 3.46Å; V71-T126 WeakPolarHBondContact O-CB 3.48Å; V71-T126 PolarHBondContact O-OG1 3.03Å
72N85.2Confident86.7Confident20 Ų2035.5 Ų35.511%0.10716%0.163CC..EExtended strand (participates in β ladder)trans-80.7116.8-180-77.924.8000109.7K49 E74 L93 Q127K49-N72 VanDerWaalsContact CE-CB 3.47Å; K49-N72 WeakPolarHBondContact CE-ND2 3.47Å; K49-N72 VanDerWaalsContact CE-OD1 3.31Å; K49-N72 WeakPolarHBondContact CE-OD1 3.44Å; K49-N72 PolarHBondContact NZ-ND2 3.14Å; N72-E74 HydrophobicContact CB-CG 4.02Å; N72-L93 WeakPolarHBondContact O-CD1 3.25Å; N72-Q127 PolarHBondContact ND2-OE1 2.81Å
73V82.2Confident86Confident1 Ų140.1 Ų40.11%0.00619%0.187CC..EExtended strand (participates in β ladder)trans-78.6-27172.7166.70000111.1V71 L75 L93 Y94 M97 T126 Q127 M128V71-V73 PolarHBondContact O-N 2.77Å; V73-L75 WeakPolarHBondContact CG1-O 3.45Å; V73-L75 PolarHBondContact O-N 3.21Å; V73-L93 HydrophobicContact CB-CD2 4.18Å; V73-L93 HydrophobicContact CG1-CD2 4.02Å; V73-L93 HydrophobicContact CG2-CD2 4.1Å; V73-L93 HydrophobicContact CG2-CG 4.22Å; V73-Y94 HydrophobicContact CG2-CE1 4.11Å; V73-M97 HydrophobicContact CG2-SD 4.24Å; V73-T126 VanDerWaalsContact CG2-OG1 3.28Å; V73-T126 WeakPolarHBondContact CG2-OG1 3.42Å; V73-T126 PolarHBondContact N-OG1 3.36Å; V73-Q127 PolarHBondContact N-O 2.95Å; V73-Q127 VanDerWaalsContact N-O 3.14Å; V73-M128 HydrophobicContact CB-CG 4.48Å; V73-M128 HydrophobicContact CG1-CE 4.19Å; V73-M128 HydrophobicContact CG1-CG 4.45Å
74E80.5Confident85.4Confident55 Ų5542.3 Ų42.326%0.25720%0.198SC..EExtended strand (participates in β ladder)trans59.6-66.4-179.7-65-179.6-164.400113.7N72 K88 Q127 M128 I129N72-E74 HydrophobicContact CB-CG 4.02Å; E74-K88 IonicContact OE1-NZ 2.97Å; E74-K88 PolarHBondContact OE1-NZ 3.35Å; E74-K88 IonicContact OE2-NZ 3.9Å; E74-K88 PolarHBondContact OE2-NZ 2.98Å; E74-Q127 PolarHBondContact N-O 3.24Å; E74-M128 CarbonylContact O-C 3.4Å; E74-M128 WeakPolarHBondContact O-CA 3.3Å; E74-I129 HydrophobicContact CB-CD1 4.47Å; E74-I129 PolarHBondContact O-N 3.1Å
75L79.6Confident84.6Confident12 Ų1240 Ų406%0.06319%0.191CC..SBendtrans-108.5136.5-178.1-66.1167000110.8V73 S80 L81 L84 A132V73-L75 WeakPolarHBondContact CG1-O 3.45Å; V73-L75 PolarHBondContact O-N 3.21Å; L75-S80 WeakPolarHBondContact CD1-O 3.32Å; L75-L81 HydrophobicContact CB-CD1 4.32Å; L75-L81 HydrophobicContact CD1-CD1 4.35Å; L75-L84 HydrophobicContact CD1-CB 3.63Å; L75-L84 HydrophobicContact CD1-CD1 3.82Å; L75-L84 HydrophobicContact CD1-CG 4.25Å; L75-L84 HydrophobicContact CD2-CD1 3.85Å; L75-A132 HydrophobicContact CD2-CB 4.28Å
76P71.3Confident83.8Confident5 Ų543.3 Ų43.33%0.03221%0.214CC..SBendtrans-74.3-39-173.225.4-28.6000112.4M128 E135 I140 I143P76-M128 HydrophobicContact CB-SD 4.42Å; P76-E135 WeakPolarHBondContact CD-OE1 3.33Å; P76-E135 HydrophobicContact CG-CB 4.25Å; P76-E135 HydrophobicContact CG-CG 3.8Å; P76-E135 VanDerWaalsContact CG-OE1 3.25Å; P76-E135 WeakPolarHBondContact CG-OE1 3.33Å; P76-I140 HydrophobicContact CB-CG1 4.15Å; P76-I140 HydrophobicContact CG-CG1 4.04Å; P76-I143 VanDerWaalsContact C-CD1 3.49Å; P76-I143 HydrophobicContact CB-CD1 3.51Å; P76-I143 WeakPolarHBondContact O-CD1 3.4Å
77S76.2Confident82.7Confident23 Ų2351 Ų5116%0.16126%0.255CS..SBendtrans-98.3153.2-175.974.70000113.9E79 S80 L81 E135S77-E79 VanDerWaalsContact C-N 3.29Å; S77-S80 WeakPolarHBondContact OG-CB 3.41Å; S77-S80 PolarHBondContact OG-N 3.01Å; S77-S80 PolarHBondContact OG-OG 3.06Å; S77-L81 PolarHBondContact O-N 3.41Å; S77-E135 PolarHBondContact OG-OE1 2.7Å
78R78.3Confident81.7Confident134 Ų13453 Ų5351%0.50626%0.262SS..Hα-helixtrans-68.5-34.2175.8-75.5-178.1173.4-173.8-5.1111.3L81 K82 P90R78-L81 PolarHBondContact O-N 3.2Å; R78-K82 WeakPolarHBondContact O-CG 3.35Å; R78-K82 PolarHBondContact O-N 3.39Å; R78-P90 HydrophobicContact CG-CB 4.28Å; R78-P90 HydrophobicContact CG-CG 4.18Å
79E79Confident80.7Confident140 Ų14053.7 Ų53.765%0.65427%0.27SS*.Hα-helixtrans-63.3-48.2177.9-63.169.7-153.500109.8S77 K82 L83S77-E79 VanDerWaalsContact C-N 3.29Å; E79-K82 PolarHBondContact O-N 3.15Å; E79-L83 WeakPolarHBondContact O-CB 3.48Å; E79-L83 PolarHBondContact O-N 2.97Å
80S81.5Confident79.6Confident9 Ų954.3 Ų54.36%0.06327%0.274CS..Hα-helixtrans-69.6-36.3176.7-61.80000112.7L75 S77 L83 L84 S133 E135L75-S80 WeakPolarHBondContact CD1-O 3.32Å; S77-S80 WeakPolarHBondContact OG-CB 3.41Å; S77-S80 PolarHBondContact OG-N 3.01Å; S77-S80 PolarHBondContact OG-OG 3.06Å; S80-L83 PolarHBondContact O-N 2.65Å; S80-L84 WeakPolarHBondContact O-CB 3.45Å; S80-L84 PolarHBondContact O-N 3.17Å; S80-S133 VanDerWaalsContact OG-CB 3.32Å; S80-S133 WeakPolarHBondContact OG-CB 3.4Å; S80-E135 VanDerWaalsContact CB-OE1 3.27Å; S80-E135 WeakPolarHBondContact CB-OE1 3.28Å; S80-E135 PolarHBondContact OG-OE1 2.95Å
81L81.4Confident78.6Confident5 Ų560.8 Ų60.83%0.02630%0.301CS..Hα-helixtrans-60.5-46.3173.2-165.776000111.2L75 S77 R78 L83 A85 K88 P90L75-L81 HydrophobicContact CB-CD1 4.32Å; L75-L81 HydrophobicContact CD1-CD1 4.35Å; S77-L81 PolarHBondContact O-N 3.41Å; R78-L81 PolarHBondContact O-N 3.2Å; L81-L83 VanDerWaalsContact C-N 3.3Å; L81-L83 PolarHBondContact O-N 3.26Å; L81-A85 HydrophobicContact CD1-CB 4.2Å; L81-A85 CarbonylContact O-C 3.59Å; L81-A85 VanDerWaalsContact O-CA 3.25Å; L81-A85 WeakPolarHBondContact O-CA 3.39Å; L81-A85 PolarHBondContact O-N 2.87Å; L81-A85 VanDerWaalsContact O-O 3.05Å; L81-K88 HydrophobicContact CD1-CB 4.29Å; L81-K88 HydrophobicContact CD1-CD 4.28Å; L81-K88 HydrophobicContact CD2-CB 4.23Å; L81-K88 HydrophobicContact CG-CB 4.3Å; L81-P90 HydrophobicContact CD2-CB 4.3Å; L81-P90 HydrophobicContact CD2-CG 3.81Å
82K82Confident77.9Confident152 Ų15264 Ų6466%0.66132%0.319SS*.Hα-helixtrans-63.2-35.1175.5-76.4-177.7177.2-173.20113.1R78 E79R78-K82 WeakPolarHBondContact O-CG 3.35Å; R78-K82 PolarHBondContact O-N 3.39Å; E79-K82 PolarHBondContact O-N 3.15Å
83L81.6Confident77.6Confident97 Ų9763.5 Ų63.551%0.50832%0.316SS..Hα-helixtrans-72.9-46.3-178.8-176.466.4000112.4E79 S80 L81 L169E79-L83 WeakPolarHBondContact O-CB 3.48Å; E79-L83 PolarHBondContact O-N 2.97Å; S80-L83 PolarHBondContact O-N 2.65Å; L81-L83 VanDerWaalsContact C-N 3.3Å; L81-L83 PolarHBondContact O-N 3.26Å; L83-L169 HydrophobicContact CD1-CD2 3.97Å; L83-L169 HydrophobicContact CG-CD2 4.37Å
84L81.1Confident77.8Confident45 Ų4565.7 Ų65.724%0.23632%0.324CS..Hα-helixtrans-101.7-20.8-170.3-63.7177000113.7L75 S80 L169 L170L75-L84 HydrophobicContact CD1-CB 3.63Å; L75-L84 HydrophobicContact CD1-CD1 3.82Å; L75-L84 HydrophobicContact CD1-CG 4.25Å; L75-L84 HydrophobicContact CD2-CD1 3.85Å; S80-L84 WeakPolarHBondContact O-CB 3.45Å; S80-L84 PolarHBondContact O-N 3.17Å; L84-L169 HydrophobicContact CD2-CB 3.78Å; L84-L170 HydrophobicContact CD1-CD2 4.01Å; L84-L170 HydrophobicContact CD2-CD2 3.8Å; L84-L170 HydrophobicContact CD2-CG 4.21Å
85A78.2Confident78.2Confident18 Ų1867.8 Ų67.815%0.14933%0.333CS..  trans-142.863.2-17900000111L81 D87 K88L81-A85 HydrophobicContact CD1-CB 4.2Å; L81-A85 CarbonylContact O-C 3.59Å; L81-A85 VanDerWaalsContact O-CA 3.25Å; L81-A85 WeakPolarHBondContact O-CA 3.39Å; L81-A85 PolarHBondContact O-N 2.87Å; L81-A85 VanDerWaalsContact O-O 3.05Å; A85-D87 PolarHBondContact O-N 2.92Å; A85-D87 VanDerWaalsContact O-N 3.11Å; A85-K88 HydrophobicContact CB-CB 4.41Å; A85-K88 HydrophobicContact CB-CD 3.96Å; A85-K88 HydrophobicContact CB-CG 4.16Å; A85-K88 PolarHBondContact O-N 3.38Å
86P75.9Confident78.6Confident91 Ų9167.4 Ų67.459%0.59133%0.331SS*.THydrogen-bonded Turntrans-59.7-25.5-174.124.6-35000113.9K88P86-K88 PolarHBondContact O-N 3.17Å
87D72.9Confident79.6Confident163 Ų16367.2 Ų67.287%0.87233%0.329SS*.THydrogen-bonded Turntrans-73.7-8.9177.8-58.5-38.3000113.6A85A85-D87 PolarHBondContact O-N 2.92Å; A85-D87 VanDerWaalsContact O-N 3.11Å
88K73.8Confident80.4Confident81 Ų8172.6 Ų72.635%0.35235%0.35SS..  trans-98.3116.1179.2-65-173.9-178.6-178.10110.6E74 L81 A85 P86 P90E74-K88 IonicContact OE1-NZ 2.97Å; E74-K88 PolarHBondContact OE1-NZ 3.35Å; E74-K88 IonicContact OE2-NZ 3.9Å; E74-K88 PolarHBondContact OE2-NZ 2.98Å; L81-K88 HydrophobicContact CD1-CB 4.29Å; L81-K88 HydrophobicContact CD1-CD 4.28Å; L81-K88 HydrophobicContact CD2-CB 4.23Å; L81-K88 HydrophobicContact CG-CB 4.3Å; A85-K88 HydrophobicContact CB-CB 4.41Å; A85-K88 HydrophobicContact CB-CD 3.96Å; A85-K88 HydrophobicContact CB-CG 4.16Å; A85-K88 PolarHBondContact O-N 3.38Å; P86-K88 PolarHBondContact O-N 3.17Å; K88-P90 WeakPolarHBondContact O-CD 3.43Å
89D74.6Confident81Confident71 Ų7167.4 Ų67.438%0.3833%0.331SS..  trans-74.6124.4168.5-172-11.6000110.3F91 D92 L93D89-F91 PolarHBondContact O-N 3.23Å; D89-F91 VanDerWaalsContact O-N 3.14Å; D89-F91 WeakPolarHBondContact OD1-CD2 3.36Å; D89-F91 PolarHBondContact OD1-N 2.87Å; D89-D92 HydrophobicContact CB-CB 4.27Å; D89-D92 PolarHBondContact O-N 2.94Å; D89-D92 VanDerWaalsContact O-N 3.15Å; D89-L93 PolarHBondContact O-N 3.45Å
90P71.2Confident81.6Confident13 Ų1360.8 Ų60.88%0.08430%0.3CS..Hα-helixtrans-49.9-32.9168.7-24.729.3000114.3R78 L81 K88 L93 Y94R78-P90 HydrophobicContact CG-CB 4.28Å; R78-P90 HydrophobicContact CG-CG 4.18Å; L81-P90 HydrophobicContact CD2-CB 4.3Å; L81-P90 HydrophobicContact CD2-CG 3.81Å; K88-P90 WeakPolarHBondContact O-CD 3.43Å; P90-L93 WeakPolarHBondContact O-CB 3.33Å; P90-Y94 WeakPolarHBondContact O-CD2 3.47Å
91F73.8Confident82.2Confident140 Ų14060.7 Ų60.761%0.61430%0.3SS*.Hα-helixtrans-67.6-41.8179.4-73.8-81.5000112.1D89 L93 Y94 K95D89-F91 PolarHBondContact O-N 3.23Å; D89-F91 VanDerWaalsContact O-N 3.14Å; D89-F91 WeakPolarHBondContact OD1-CD2 3.36Å; D89-F91 PolarHBondContact OD1-N 2.87Å; F91-L93 PolarHBondContact O-N 3.28Å; F91-Y94 PolarHBondContact O-N 3.5Å; F91-K95 WeakPolarHBondContact O-CB 3.45Å; F91-K95 PolarHBondContact O-N 3.14Å; F91-K95 VanDerWaalsContact O-N 3.11Å
92D76.6Confident82.7Confident69 Ų6963.3 Ų63.337%0.36932%0.316SS..Hα-helixtrans-67.6-26179.2-71.2-23.8000112.8D89 P96D89-D92 HydrophobicContact CB-CB 4.27Å; D89-D92 PolarHBondContact O-N 2.94Å; D89-D92 VanDerWaalsContact O-N 3.15Å; D92-P96 WeakPolarHBondContact O-CD 3.29Å
93L78.4Confident83.1Confident10 Ų1056.6 Ų56.65%0.05229%0.288CS..Hα-helixtrans-68.2-42.3176.9-165.465.2000112.5P52 V71 N72 V73 D89 P90 F91P52-L93 HydrophobicContact CG-CD1 4.13Å; V71-L93 HydrophobicContact CG1-CD1 4.45Å; V71-L93 WeakPolarHBondContact CG1-O 3.37Å; N72-L93 WeakPolarHBondContact O-CD1 3.25Å; V73-L93 HydrophobicContact CB-CD2 4.18Å; V73-L93 HydrophobicContact CG1-CD2 4.02Å; V73-L93 HydrophobicContact CG2-CD2 4.1Å; V73-L93 HydrophobicContact CG2-CG 4.22Å; D89-L93 PolarHBondContact O-N 3.45Å; P90-L93 WeakPolarHBondContact O-CB 3.33Å; F91-L93 PolarHBondContact O-N 3.28Å
94Y86.2Confident83.4Confident47 Ų4753.5 Ų53.518%0.18427%0.27CS..Hα-helixtrans-91.3-17.4-175.3-64-59.7000113.6V73 P90 F91 M97 K98 L147 Y151V73-Y94 HydrophobicContact CG2-CE1 4.11Å; P90-Y94 WeakPolarHBondContact O-CD2 3.47Å; F91-Y94 PolarHBondContact O-N 3.5Å; Y94-M97 HydrophobicContact CD1-SD 3.91Å; Y94-M97 HydrophobicContact CE1-SD 4.45Å; Y94-M97 PolarHBondContact O-N 3.02Å; Y94-K98 PolarHBondContact O-N 3.48Å; Y94-L147 HydrophobicContact CD1-CD2 4.18Å; Y94-L147 HydrophobicContact CE1-CD2 3.7Å; Y94-Y151 HydrophobicContact CD1-CE2 4.11Å
95K87.9Confident83.8Confident99 Ų9955.3 Ų55.343%0.4328%0.276SS..Hα-helixtrans-58.2-51.2179.3178.2-174.5-178.2-169.10112.2E56 F91 M97 K98 Q99E56-K95 WeakPolarHBondContact OE1-CE 3.45Å; E56-K95 IonicContact OE1-NZ 2.82Å; E56-K95 PolarHBondContact OE1-NZ 3.07Å; F91-K95 WeakPolarHBondContact O-CB 3.45Å; F91-K95 PolarHBondContact O-N 3.14Å; F91-K95 VanDerWaalsContact O-N 3.11Å; K95-M97 VanDerWaalsContact C-N 3.32Å; K95-M97 PolarHBondContact O-N 3.15Å; K95-K98 WeakPolarHBondContact O-CB 3.1Å; K95-K98 PolarHBondContact O-N 3.46Å; K95-Q99 PolarHBondContact O-N 3.31Å
96P89.3Confident84.2Confident4 Ų460 Ų603%0.02630%0.295CS..Hα-helixtrans-59.6-40175.6-23.231.7000112.9I59 V71 D92 K98 Q99 I100I59-P96 HydrophobicContact CG2-CB 4.43Å; V71-P96 HydrophobicContact CG2-CB 4.08Å; D92-P96 WeakPolarHBondContact O-CD 3.29Å; P96-K98 VanDerWaalsContact C-N 3.33Å; P96-K98 PolarHBondContact O-N 3.37Å; P96-Q99 WeakPolarHBondContact O-CB 3.32Å; P96-Q99 PolarHBondContact O-N 2.93Å; P96-I100 WeakPolarHBondContact O-CD1 3.46Å; P96-I100 WeakPolarHBondContact O-CG1 3.47Å; P96-I100 PolarHBondContact O-N 3.07Å
97M91.6Very high84.5Confident0 Ų057.2 Ų57.20%027%0.274CS..Hα-helixtrans-63.1-41.1178.6-59.4178.769.500111.9V71 V73 Y94 K95 T101 Q124 L147 Y151 L153V71-M97 HydrophobicContact CB-CG 3.73Å; V71-M97 HydrophobicContact CB-SD 4.26Å; V71-M97 HydrophobicContact CG1-CG 4.11Å; V71-M97 HydrophobicContact CG1-SD 4.47Å; V71-M97 HydrophobicContact CG2-CG 3.66Å; V73-M97 HydrophobicContact CG2-SD 4.24Å; Y94-M97 HydrophobicContact CD1-SD 3.91Å; Y94-M97 HydrophobicContact CE1-SD 4.45Å; Y94-M97 PolarHBondContact O-N 3.02Å; K95-M97 VanDerWaalsContact C-N 3.32Å; K95-M97 PolarHBondContact O-N 3.15Å; M97-T101 PolarHBondContact O-N 3.4Å; M97-T101 VanDerWaalsContact O-N 3.09Å; M97-T101 PolarHBondContact O-OG1 2.88Å; M97-Q124 PolarHBondContact O-NE2 3.24Å; M97-L147 HydrophobicContact CE-CD2 4.2Å; M97-Y151 HydrophobicContact CB-CD1 3.9Å; M97-Y151 HydrophobicContact CB-CE1 4.23Å; M97-Y151 HydrophobicContact CB-CG 4.09Å; M97-Y151 HydrophobicContact CE-CD2 4.03Å; M97-Y151 HydrophobicContact CE-CG 4.25Å; M97-L153 HydrophobicContact CE-CD1 3.9Å; M97-L153 HydrophobicContact CE-CD2 3.66Å; M97-L153 HydrophobicContact CE-CG 4.11Å
98K92.1Very high84.8Confident137 Ų13754.6 Ų54.660%0.59626%0.256SS*.Hα-helixtrans-61.2-48.8174.6-168.5-177175.9-171.40110.1Y94 K95 P96 T101 T102 Y151Y94-K98 PolarHBondContact O-N 3.48Å; K95-K98 WeakPolarHBondContact O-CB 3.1Å; K95-K98 PolarHBondContact O-N 3.46Å; P96-K98 VanDerWaalsContact C-N 3.33Å; P96-K98 PolarHBondContact O-N 3.37Å; K98-T101 WeakPolarHBondContact O-CB 3.28Å; K98-T101 PolarHBondContact O-N 3.49Å; K98-T102 PolarHBondContact O-N 3.3Å; K98-T102 PolarHBondContact O-OG1 2.95Å; K98-T102 VanDerWaalsContact O-OG1 3.1Å; K98-Y151 HydrophobicContact CB-CD1 4.47Å; K98-Y151 HydrophobicContact CB-CE1 3.91Å; K98-Y151 HydrophobicContact CG-CE1 4.49Å
99Q91.7Very high85Confident24 Ų2459.2 Ų59.211%0.11228%0.277CS..Hα-helixtrans-59-50.4179.9-171.4-163.7-16.300112E56 K95 P96 T101 T102 V103E56-Q99 PolarHBondContact O-NE2 3.28Å; K95-Q99 PolarHBondContact O-N 3.31Å; P96-Q99 WeakPolarHBondContact O-CB 3.32Å; P96-Q99 PolarHBondContact O-N 2.93Å; Q99-T101 PolarHBondContact O-N 2.91Å; Q99-T102 WeakPolarHBondContact O-CB 3.03Å; Q99-T102 PolarHBondContact O-N 3.06Å; Q99-V103 HydrophobicContact CG-CG2 4.39Å; Q99-V103 WeakPolarHBondContact O-CG2 3.48Å; Q99-V103 PolarHBondContact O-N 3.18Å
100I92.3Very high85.1Confident1 Ų159.2 Ų59.21%0.00528%0.277CS..Hα-helixtrans-56.2-40.2177.2-65.4160.9000110.7I59 M69 V71 P96 K104 F119 V120 Q124I59-I100 HydrophobicContact CG2-CG1 4.18Å; M69-I100 HydrophobicContact CB-CD1 4.11Å; M69-I100 HydrophobicContact CE-CD1 3.75Å; M69-I100 HydrophobicContact CE-CG1 4.05Å; M69-I100 HydrophobicContact SD-CD1 4.22Å; M69-I100 HydrophobicContact SD-CG1 4.24Å; V71-I100 HydrophobicContact CG2-CD1 4.26Å; P96-I100 WeakPolarHBondContact O-CD1 3.46Å; P96-I100 WeakPolarHBondContact O-CG1 3.47Å; P96-I100 PolarHBondContact O-N 3.07Å; I100-K104 WeakPolarHBondContact O-CB 3.26Å; I100-K104 PolarHBondContact O-N 3.42Å; I100-K104 VanDerWaalsContact O-N 3.11Å; I100-F119 HydrophobicContact CB-CE1 4.43Å; I100-F119 HydrophobicContact CG1-CZ 4.43Å; I100-F119 HydrophobicContact CG2-CE1 4Å; I100-F119 HydrophobicContact CG2-CZ 4.44Å; I100-V120 HydrophobicContact CG2-CG2 3.89Å; I100-Q124 HydrophobicContact CG2-CB 4.05Å; I100-Q124 HydrophobicContact CG2-CG 4.19Å
101T92.7Very high85.1Confident7 Ų762.3 Ų62.34%0.04330%0.296CS..Hα-helixtrans-63.6-45176.1-47.40000111.6M97 K98 Q99 K105 Q124 Y151M97-T101 PolarHBondContact O-N 3.4Å; M97-T101 VanDerWaalsContact O-N 3.09Å; M97-T101 PolarHBondContact O-OG1 2.88Å; K98-T101 WeakPolarHBondContact O-CB 3.28Å; K98-T101 PolarHBondContact O-N 3.49Å; Q99-T101 PolarHBondContact O-N 2.91Å; T101-K105 HydrophobicContact CG2-CD 4.4Å; T101-K105 WeakPolarHBondContact O-CG 3.4Å; T101-K105 PolarHBondContact O-N 2.88Å; T101-Q124 PolarHBondContact OG1-NE2 2.99Å; T101-Y151 WeakPolarHBondContact OG1-CA 3.31Å; T101-Y151 PolarHBondContact OG1-O 3.37Å
102T92.3Very high84.6Confident60 Ų6059.2 Ų59.237%0.36830%0.297SS..Hα-helixtrans-63.2-54.8-178.9-59.50000111.1K98 Q99 K104 K105 E106K98-T102 PolarHBondContact O-N 3.3Å; K98-T102 PolarHBondContact O-OG1 2.95Å; K98-T102 VanDerWaalsContact O-OG1 3.1Å; Q99-T102 WeakPolarHBondContact O-CB 3.03Å; Q99-T102 PolarHBondContact O-N 3.06Å; T102-K104 VanDerWaalsContact C-N 3.27Å; T102-K104 PolarHBondContact O-N 3.36Å; T102-K105 PolarHBondContact O-N 2.96Å; T102-K105 VanDerWaalsContact O-N 3.08Å; T102-E106 HydrophobicContact CG2-CG 4.49Å; T102-E106 WeakPolarHBondContact CG2-OE1 3.47Å; T102-E106 WeakPolarHBondContact O-CG 3.44Å; T102-E106 PolarHBondContact O-N 3.27Å
103V90.4Very high83.7Confident12 Ų1262.9 Ų62.97%0.07332%0.321CS..Hα-helixtrans-59-41.1-179.2178.10000110.8Q99 E106 Q107 F119Q99-V103 HydrophobicContact CG-CG2 4.39Å; Q99-V103 WeakPolarHBondContact O-CG2 3.48Å; Q99-V103 PolarHBondContact O-N 3.18Å; V103-E106 PolarHBondContact O-N 3.46Å; V103-Q107 PolarHBondContact O-N 3.21Å; V103-F119 HydrophobicContact CB-CD1 3.96Å; V103-F119 HydrophobicContact CB-CE1 3.63Å; V103-F119 HydrophobicContact CB-CE2 4.41Å; V103-F119 HydrophobicContact CB-CZ 3.88Å; V103-F119 HydrophobicContact CG1-CB 4.39Å; V103-F119 HydrophobicContact CG1-CD1 3.57Å; V103-F119 HydrophobicContact CG1-CD2 3.78Å; V103-F119 HydrophobicContact CG1-CE1 3.67Å; V103-F119 HydrophobicContact CG1-CE2 3.86Å; V103-F119 HydrophobicContact CG1-CG 3.65Å; V103-F119 HydrophobicContact CG1-CZ 3.82Å; V103-F119 HydrophobicContact CG2-CZ 4.44Å
104K89Confident82.6Confident32 Ų3271.7 Ų71.714%0.13935%0.354CS..Hα-helixtrans-62.8-44.4176.3-176.6173.4178163.80112.7I100 T102 Q107 E108 F119I100-K104 WeakPolarHBondContact O-CB 3.26Å; I100-K104 PolarHBondContact O-N 3.42Å; I100-K104 VanDerWaalsContact O-N 3.11Å; T102-K104 VanDerWaalsContact C-N 3.27Å; T102-K104 PolarHBondContact O-N 3.36Å; K104-Q107 PolarHBondContact O-N 2.95Å; K104-E108 WeakPolarHBondContact CE-OE1 3.39Å; K104-E108 PolarHBondContact O-N 3.39Å; K104-F119 HydrophobicContact CB-CD1 4.23Å
105K88.3Confident81.4Confident83 Ų8376.2 Ų76.236%0.36137%0.371SS..Hα-helixtrans-62.9-44.3176.7-78.2179.8178.4-179.70111.1T101 T102 Q107 E108 F109 Q152T101-K105 HydrophobicContact CG2-CD 4.4Å; T101-K105 WeakPolarHBondContact O-CG 3.4Å; T101-K105 PolarHBondContact O-N 2.88Å; T102-K105 PolarHBondContact O-N 2.96Å; T102-K105 VanDerWaalsContact O-N 3.08Å; K105-Q107 VanDerWaalsContact C-N 3.27Å; K105-Q107 PolarHBondContact O-N 3.46Å; K105-E108 PolarHBondContact O-N 3.01Å; K105-E108 VanDerWaalsContact O-N 3.09Å; K105-F109 HydrophobicContact CB-CE2 4.45Å; K105-F109 WeakPolarHBondContact O-CD2 3.48Å; K105-F109 PolarHBondContact O-N 3.22Å; K105-F109 VanDerWaalsContact O-N 3.12Å; K105-Q152 VanDerWaalsContact CE-CD 3.5Å
106E87Confident80.2Confident117 Ų11773.7 Ų73.755%0.54737%0.373SS..Hα-helixtrans-56.7-41.5176.1-71.5171.5179.600111.5T102 V103 F109 L110T102-E106 HydrophobicContact CG2-CG 4.49Å; T102-E106 WeakPolarHBondContact CG2-OE1 3.47Å; T102-E106 WeakPolarHBondContact O-CG 3.44Å; T102-E106 PolarHBondContact O-N 3.27Å; V103-E106 PolarHBondContact O-N 3.46Å; E106-F109 PolarHBondContact O-N 3.08Å; E106-L110 PolarHBondContact O-N 3.47Å
107Q81.4Confident79.5Confident32 Ų3277.8 Ų77.815%0.1540%0.4CS..Hα-helixtrans-65.9-38.1173.1-75.2-150.4-17.800114.4V103 K104 K105 F109 L110 P117 F119V103-Q107 PolarHBondContact O-N 3.21Å; K104-Q107 PolarHBondContact O-N 2.95Å; K105-Q107 VanDerWaalsContact C-N 3.27Å; K105-Q107 PolarHBondContact O-N 3.46Å; Q107-F109 VanDerWaalsContact C-N 3.29Å; Q107-F109 PolarHBondContact O-N 2.88Å; Q107-L110 PolarHBondContact O-N 3.41Å; Q107-P117 PolarHBondContact NE2-O 3.17Å; Q107-F119 VanDerWaalsContact CD-CB 3.41Å; Q107-F119 HydrophobicContact CG-CB 4.29Å
108E79.1Confident79.1Confident107 Ų10781 Ų8150%0.542%0.422SS..Hα-helixtrans-64.3-34.8178.4-76.9178.5-175.600111.9K104 K105 L110 R115K104-E108 WeakPolarHBondContact CE-OE1 3.39Å; K104-E108 PolarHBondContact O-N 3.39Å; K105-E108 PolarHBondContact O-N 3.01Å; K105-E108 VanDerWaalsContact O-N 3.09Å; E108-L110 VanDerWaalsContact C-N 3.33Å; E108-R115 PolarHBondContact O-NH2 3.36Å
109F79.3Confident79Confident179 Ų17974.6 Ų74.679%0.78539%0.394SS*.Hα-helixtrans-73.9-17.9176.2-74.3-67.9000114.2K105 E106 Q107K105-F109 HydrophobicContact CB-CE2 4.45Å; K105-F109 WeakPolarHBondContact O-CD2 3.48Å; K105-F109 PolarHBondContact O-N 3.22Å; K105-F109 VanDerWaalsContact O-N 3.12Å; E106-F109 PolarHBondContact O-N 3.08Å; Q107-F109 VanDerWaalsContact C-N 3.29Å; Q107-F109 PolarHBondContact O-N 2.88Å
110L76.6Confident79.1Confident71 Ų7173.5 Ų73.537%0.37239%0.389SS..SBendtrans-70.3133.4176.7-71.6169000110.8E106 Q107 E108 R115E106-L110 PolarHBondContact O-N 3.47Å; Q107-L110 PolarHBondContact O-N 3.41Å; E108-L110 VanDerWaalsContact C-N 3.33Å; L110-R115 HydrophobicContact CB-CG 4.31Å; L110-R115 PolarHBondContact O-NE 3.12Å
111P70.7Confident79.1Confident77 Ų7776.5 Ų76.550%0.541%0.408SS..  trans-53.6143.4171.6-22.531.1000110.7V113 R114 R115P111-V113 PolarHBondContact O-N 3.03Å; P111-R114 PolarHBondContact O-N 3.27Å; P111-R115 PolarHBondContact O-N 3.24Å
112A64.5Low79Confident76 Ų7677.5 Ų77.563%0.62842%0.418SS*.G310 helixtrans-51-33.4-174.900000114R114 R115A112-R114 VanDerWaalsContact C-N 3.31Å; A112-R114 PolarHBondContact O-N 3.27Å; A112-R115 PolarHBondContact O-N 2.99Å
113V57.7Low79.1Confident145 Ų14574.7 Ų74.788%0.87940%0.401SS*.G310 helixtrans-70.5-23.4179.2-171.60000113P111P111-V113 PolarHBondContact O-N 3.03Å
114R53.7Low79.3Confident195 Ų19574.4 Ų74.474%0.73640%0.398SS*.G310 helixtrans-104.15.6179.7-69.8-171.9178.4176.4-0.1113.5P111 A112 G116P111-R114 PolarHBondContact O-N 3.27Å; A112-R114 VanDerWaalsContact C-N 3.31Å; A112-R114 PolarHBondContact O-N 3.27Å; R114-G116 PolarHBondContact O-N 2.87Å; R114-G116 VanDerWaalsContact O-N 3.12Å
115R61.3Low79.5Confident143 Ų14372.9 Ų72.954%0.5439%0.392SS..  trans-70.4111.4176.6-70.6-178.7-178.4165.6-4.1108E108 L110 P111 A112E108-R115 PolarHBondContact O-NH2 3.36Å; L110-R115 HydrophobicContact CB-CG 4.31Å; L110-R115 PolarHBondContact O-NE 3.12Å; P111-R115 PolarHBondContact O-N 3.24Å; A112-R115 PolarHBondContact O-N 2.99Å
116G63.2Low79.7Confident46 Ų4669 Ų6947%0.47438%0.375SS..  trans-67.4-160168.700000111.7R114 S118R114-G116 PolarHBondContact O-N 2.87Å; R114-G116 VanDerWaalsContact O-N 3.12Å; G116-S118 PolarHBondContact O-N 2.69Å
117P74.1Confident79.9Confident90 Ų9066.3 Ų66.358%0.58436%0.363SS*.SBendtrans-54.5141.2175.421.3-30.2000111.1F64 Q107 F119F64-P117 HydrophobicContact CD1-CB 4.02Å; F64-P117 HydrophobicContact CD1-CG 3.7Å; F64-P117 WeakPolarHBondContact CD1-O 3.47Å; F64-P117 HydrophobicContact CE1-CG 3.93Å; F64-P117 VanDerWaalsContact CE1-O 3.29Å; F64-P117 WeakPolarHBondContact CE1-O 3.42Å; Q107-P117 PolarHBondContact NE2-O 3.17Å; P117-F119 PolarHBondContact O-N 3.1Å
118S83.1Confident80.3Confident68 Ų6864.8 Ų64.848%0.47636%0.356SS..  trans-67.9127.6-176.9-169.60000110.6G116 P121G116-S118 PolarHBondContact O-N 2.69Å; S118-P121 WeakPolarHBondContact OG-CB 3.41Å; S118-P121 WeakPolarHBondContact OG-CD 3.32Å
119F91.7Very high80.7Confident2 Ų262.2 Ų62.21%0.00934%0.344CS..SBendtrans-95114.3175.7-178.2-98.2000109.8E60 G63 F64 I100 V103 K104 Q107 P117E60-F119 HydrophobicContact CG-CE2 4.42Å; E60-F119 WeakPolarHBondContact O-CE2 3.37Å; G63-F119 VanDerWaalsContact C-CD2 3.46Å; G63-F119 VanDerWaalsContact CA-CE2 3.49Å; F64-F119 HydrophobicContact CD1-CB 4.2Å; F64-F119 HydrophobicContact CD1-CD2 4.32Å; F64-F119 HydrophobicContact CD2-CD2 4.05Å; F64-F119 HydrophobicContact CE1-CB 4.09Å; F64-F119 HydrophobicContact CE1-CD2 4.46Å; F64-F119 HydrophobicContact CE2-CD2 4.14Å; F64-F119 HydrophobicContact CG-CD2 4.14Å; F64-F119 HydrophobicContact CZ-CD2 4.34Å; I100-F119 HydrophobicContact CB-CE1 4.43Å; I100-F119 HydrophobicContact CG1-CZ 4.43Å; I100-F119 HydrophobicContact CG2-CE1 4Å; I100-F119 HydrophobicContact CG2-CZ 4.44Å; V103-F119 HydrophobicContact CB-CD1 3.96Å; V103-F119 HydrophobicContact CB-CE1 3.63Å; V103-F119 HydrophobicContact CB-CE2 4.41Å; V103-F119 HydrophobicContact CB-CZ 3.88Å; V103-F119 HydrophobicContact CG1-CB 4.39Å; V103-F119 HydrophobicContact CG1-CD1 3.57Å; V103-F119 HydrophobicContact CG1-CD2 3.78Å; V103-F119 HydrophobicContact CG1-CE1 3.67Å; V103-F119 HydrophobicContact CG1-CE2 3.86Å; V103-F119 HydrophobicContact CG1-CG 3.65Å; V103-F119 HydrophobicContact CG1-CZ 3.82Å; V103-F119 HydrophobicContact CG2-CZ 4.44Å; K104-F119 HydrophobicContact CB-CD1 4.23Å; Q107-F119 VanDerWaalsContact CD-CB 3.41Å; Q107-F119 HydrophobicContact CG-CB 4.29Å; P117-F119 PolarHBondContact O-N 3.1Å
120V93.4Very high81.1Confident0 Ų053.7 Ų53.70%031%0.307CS..  trans36.461.7-178.8-68.60000115.2G63 D67 M69 I100 A122 G123G63-V120 PolarHBondContact O-N 2.98Å; G63-V120 VanDerWaalsContact O-N 3.07Å; D67-V120 CarbonylContact O-C 3.12Å; D67-V120 WeakPolarHBondContact O-CA 3.04Å; M69-V120 HydrophobicContact CB-CG1 3.83Å; M69-V120 HydrophobicContact CG-CG1 3.37Å; M69-V120 HydrophobicContact SD-CG1 3.44Å; M69-V120 WeakPolarHBondContact SD-CG1 3.4Å; I100-V120 HydrophobicContact CG2-CG2 3.89Å; V120-A122 PolarHBondContact O-N 2.94Å; V120-G123 WeakPolarHBondContact O-CA 3.21Å; V120-G123 PolarHBondContact O-N 3.44Å
121P91Very high81.4Confident64 Ų6451.1 Ų51.142%0.41630%0.298SS..THydrogen-bonded Turntrans-54.4-38.1-177.518.4-31.3000113.6D67 S118 G123D67-P121 WeakPolarHBondContact O-CD 3.41Å; S118-P121 WeakPolarHBondContact OG-CB 3.41Å; S118-P121 WeakPolarHBondContact OG-CD 3.32Å; P121-G123 PolarHBondContact O-N 2.9Å
122A91.8Very high81.9Confident29 Ų2947.9 Ų47.924%0.2428%0.277CS..THydrogen-bonded Turntrans-80.15.9178.600000113.9Y45 D67 R68 V120Y45-A122 HydrophobicContact CE2-CB 3.82Å; D67-A122 HydrophobicContact CB-CB 4.48Å; D67-A122 WeakPolarHBondContact O-CA 3.37Å; D67-A122 VanDerWaalsContact O-CB 3.25Å; D67-A122 WeakPolarHBondContact O-CB 3.32Å; D67-A122 PolarHBondContact O-N 3.02Å; R68-A122 HydrophobicContact CB-CB 4.11Å; R68-A122 PolarHBondContact NE-O 3.34Å; R68-A122 VanDerWaalsContact NE-O 3.14Å; R68-A122 PolarHBondContact NH2-O 3.07Å; R68-A122 VanDerWaalsContact NH2-O 3.14Å; V120-A122 PolarHBondContact O-N 2.94Å
123G93.4Very high82.7Confident1 Ų144.8 Ų44.81%0.0125%0.251CS..  trans83.4-159.7171.600000114.2R68 M69 V120 P121R68-G123 WeakPolarHBondContact CA-O 3.3Å; R68-G123 WeakPolarHBondContact CG-O 3.29Å; M69-G123 PolarHBondContact N-O 2.86Å; V120-G123 WeakPolarHBondContact O-CA 3.21Å; V120-G123 PolarHBondContact O-N 3.44Å; P121-G123 PolarHBondContact O-N 2.9Å
124Q94.7Very high83.7Confident5 Ų544 Ų442%0.02325%0.249CC..EExtended strand (participates in β ladder)trans-122.8152.7177.753.5172.4-36.300112.8M69 M97 I100 T101 Y151 L153 K154M69-Q124 CarbonylContact O-C 3.37Å; M69-Q124 WeakPolarHBondContact O-CA 3.42Å; M69-Q124 WeakPolarHBondContact O-CB 3.47Å; M97-Q124 PolarHBondContact O-NE2 3.24Å; I100-Q124 HydrophobicContact CG2-CB 4.05Å; I100-Q124 HydrophobicContact CG2-CG 4.19Å; T101-Q124 PolarHBondContact OG1-NE2 2.99Å; Q124-Y151 PolarHBondContact NE2-O 3.38Å; Q124-L153 HydrophobicContact CB-CD2 4.22Å; Q124-L153 HydrophobicContact CG-CD2 3.63Å; Q124-K154 PolarHBondContact O-N 3.32Å
125S94.3Very high85.2Confident1 Ų135.6 Ų35.61%0.00722%0.218CC..EExtended strand (participates in β ladder)trans-137.5171.1177.148.30000112.2H47 M69 S70 V71 R155H47-S125 PolarHBondContact NE2-OG 3.28Å; M69-S125 PolarHBondContact O-N 2.8Å; S70-S125 WeakPolarHBondContact CA-O 3.42Å; S70-S125 WeakPolarHBondContact CB-O 3.5Å; V71-S125 PolarHBondContact N-O 3.38Å; V71-S125 VanDerWaalsContact N-O 3.14Å; S125-R155 WeakPolarHBondContact CA-O 3.43Å; S125-R155 WeakPolarHBondContact CB-O 3.49Å
126T92.5Very high86.6Confident0 Ų030 Ų300%020%0.201CC..EExtended strand (participates in β ladder)trans-141.2167.9174-1710000110.3V71 V73 L147 L153 R155 V156 Y157V71-T126 VanDerWaalsContact O-CA 3.28Å; V71-T126 WeakPolarHBondContact O-CA 3.46Å; V71-T126 WeakPolarHBondContact O-CB 3.48Å; V71-T126 PolarHBondContact O-OG1 3.03Å; V73-T126 VanDerWaalsContact CG2-OG1 3.28Å; V73-T126 WeakPolarHBondContact CG2-OG1 3.42Å; V73-T126 PolarHBondContact N-OG1 3.36Å; T126-L147 HydrophobicContact CG2-CD1 4.09Å; T126-L153 HydrophobicContact CG2-CD1 3.64Å; T126-R155 PolarHBondContact N-O 3.5Å; T126-V156 HydrophobicContact CG2-CB 4.19Å; T126-V156 HydrophobicContact CG2-CG1 3.98Å; T126-V156 HydrophobicContact CG2-CG2 3.83Å; T126-Y157 WeakPolarHBondContact O-CD2 3.37Å; T126-Y157 PolarHBondContact O-N 2.86Å
127Q90.8Very high88Confident62 Ų6228 Ų2829%0.2918%0.18SC..EExtended strand (participates in β ladder)trans-130.7139.4176.5-172.9-178.4-6.700110.5N72 V73 E74 Y157 S159N72-Q127 PolarHBondContact ND2-OE1 2.81Å; V73-Q127 PolarHBondContact N-O 2.95Å; V73-Q127 VanDerWaalsContact N-O 3.14Å; E74-Q127 PolarHBondContact N-O 3.24Å; Q127-Y157 CarbonylContact C-O 3.51Å; Q127-Y157 VanDerWaalsContact CA-O 3.27Å; Q127-Y157 WeakPolarHBondContact CA-O 3.47Å; Q127-S159 PolarHBondContact NE2-OG 2.79Å
128M89.4Confident88.9Confident0 Ų025.5 Ų25.50%016%0.158CC..EExtended strand (participates in β ladder)trans-127143.7174.8-65176.4-174.500110.5V73 E74 P76 I130 I140 I143 L147 V156 Y157 Y158 S159V73-M128 HydrophobicContact CB-CG 4.48Å; V73-M128 HydrophobicContact CG1-CE 4.19Å; V73-M128 HydrophobicContact CG1-CG 4.45Å; E74-M128 CarbonylContact O-C 3.4Å; E74-M128 WeakPolarHBondContact O-CA 3.3Å; P76-M128 HydrophobicContact CB-SD 4.42Å; M128-I130 HydrophobicContact CB-CD1 4.39Å; M128-I140 HydrophobicContact SD-CG2 4.48Å; M128-I143 HydrophobicContact CE-CG2 3.59Å; M128-L147 HydrophobicContact CE-CD1 3.33Å; M128-V156 HydrophobicContact CE-CG1 4.17Å; M128-V156 HydrophobicContact CG-CG1 4.36Å; M128-V156 HydrophobicContact SD-CG1 4.04Å; M128-Y157 PolarHBondContact N-O 3.48Å; M128-Y158 HydrophobicContact CB-CD1 4.47Å; M128-Y158 CarbonylContact O-C 3.58Å; M128-Y158 WeakPolarHBondContact O-CA 3.46Å; M128-Y158 HydrophobicContact SD-CE1 4.42Å; M128-S159 PolarHBondContact O-N 2.82Å
129I88.1Confident89.3Confident52 Ų5224.6 Ų24.627%0.26715%0.152SC..EExtended strand (participates in β ladder)trans-95.3130.3175.5-59.6174.4000108.1E74 A132 S159 Y161E74-I129 HydrophobicContact CB-CD1 4.47Å; E74-I129 PolarHBondContact O-N 3.1Å; I129-A132 HydrophobicContact CG2-CB 3.98Å; I129-S159 CarbonylContact C-O 3.56Å; I129-S159 VanDerWaalsContact CA-O 3.32Å; I129-S159 WeakPolarHBondContact CA-O 3.35Å; I129-Y161 HydrophobicContact CG2-CD2 4.19Å; I129-Y161 HydrophobicContact CG2-CG 4.48Å
130I86.5Confident89.3Confident1 Ų124.6 Ų24.61%0.00515%0.152CC..EExtended strand (participates in β ladder)trans-110.6122.2-174.5-55.3-50.8000109.8M128 I140 Y158 S159 Y161 P178 R181 L185M128-I130 HydrophobicContact CB-CD1 4.39Å; I130-I140 HydrophobicContact CD1-CD1 4Å; I130-I140 HydrophobicContact CD1-CG2 4.1Å; I130-Y158 HydrophobicContact CD1-CD1 3.92Å; I130-Y158 HydrophobicContact CG1-CD1 4.18Å; I130-Y158 HydrophobicContact CG1-CG 4.49Å; I130-S159 PolarHBondContact N-O 3.5Å; I130-Y161 WeakPolarHBondContact O-CB 3.45Å; I130-Y161 PolarHBondContact O-N 3.04Å; I130-P178 WeakPolarHBondContact O-CG 3.23Å; I130-R181 HydrophobicContact CG2-CG 4.13Å; I130-L185 HydrophobicContact CB-CD1 4.25Å; I130-L185 HydrophobicContact CD1-CD1 3.74Å; I130-L185 HydrophobicContact CG1-CD1 3.64Å; I130-L185 HydrophobicContact CG2-CD1 3.61Å
131G83.1Confident89.4Confident17 Ų1724.7 Ų24.718%0.17515%0.153CC..SBendtrans100.9-5.9176.300000115.3S133 P171G131-S133 PolarHBondContact O-N 2.95Å; G131-P171 WeakPolarHBondContact O-CG 3.42Å
132A82.8Confident89.5Confident8 Ų824.3 Ų24.37%0.06615%0.145CC..SBendtrans-70.4-21.8172.800000112.7L75 I129 Y161 L170 P171L75-A132 HydrophobicContact CD2-CB 4.28Å; I129-A132 HydrophobicContact CG2-CB 3.98Å; A132-Y161 HydrophobicContact CB-CD2 3.74Å; A132-Y161 HydrophobicContact CB-CE2 4.33Å; A132-Y161 HydrophobicContact CB-CG 3.86Å; A132-L170 HydrophobicContact CB-CD2 4.33Å; A132-P171 WeakPolarHBondContact O-CD 3.49Å
133S79.4Confident89.5Confident11 Ų1124.5 Ų24.58%0.07714%0.141CC..SBendtrans-139.9158.8-176.739.30000110.6S80 G131 E135S80-S133 VanDerWaalsContact OG-CB 3.32Å; S80-S133 WeakPolarHBondContact OG-CB 3.4Å; G131-S133 PolarHBondContact O-N 2.95Å; S133-E135 WeakPolarHBondContact CB-OE2 3.28Å; S133-E135 PolarHBondContact O-N 3.14Å; S133-E135 VanDerWaalsContact O-OE2 3.11Å; S133-E135 PolarHBondContact OG-OE1 3.21Å; S133-E135 PolarHBondContact OG-OE2 3Å
134P80.2Confident89.5Confident129 Ų12924.5 Ų24.584%0.83814%0.141SC*.  trans-82.428.4-168.934.8-37.6000113.8
135E85.2Confident89.5Confident19 Ų1925.6 Ų25.69%0.08915%0.146CC..  trans-66.6143.5179-61.993.3158.200111.8P76 S77 S80 S133 I140 R181P76-E135 WeakPolarHBondContact CD-OE1 3.33Å; P76-E135 HydrophobicContact CG-CB 4.25Å; P76-E135 HydrophobicContact CG-CG 3.8Å; P76-E135 VanDerWaalsContact CG-OE1 3.25Å; P76-E135 WeakPolarHBondContact CG-OE1 3.33Å; S77-E135 PolarHBondContact OG-OE1 2.7Å; S80-E135 VanDerWaalsContact CB-OE1 3.27Å; S80-E135 WeakPolarHBondContact CB-OE1 3.28Å; S80-E135 PolarHBondContact OG-OE1 2.95Å; S133-E135 WeakPolarHBondContact CB-OE2 3.28Å; S133-E135 PolarHBondContact O-N 3.14Å; S133-E135 VanDerWaalsContact O-OE2 3.11Å; S133-E135 PolarHBondContact OG-OE1 3.21Å; S133-E135 PolarHBondContact OG-OE2 3Å; E135-I140 HydrophobicContact CB-CD1 4.44Å; E135-I140 HydrophobicContact CB-CG1 4.28Å; E135-R181 PolarHBondContact O-NH2 3.21Å
136S90.5Very high89.5Confident26 Ų2629.9 Ų29.918%0.18217%0.169CC..  trans-71.1155.2169.575.70000112R138 S139 I140 N209S136-R138 PolarHBondContact O-N 3.44Å; S136-S139 WeakPolarHBondContact O-CB 3.39Å; S136-S139 PolarHBondContact O-N 2.9Å; S136-S139 VanDerWaalsContact O-N 3.17Å; S136-S139 PolarHBondContact OG-N 3.1Å; S136-S139 PolarHBondContact OG-OG 3.32Å; S136-I140 PolarHBondContact O-N 2.83Å; S136-N209 WeakPolarHBondContact CA-OD1 3.49Å
137D91.7Very high89.5Confident4 Ų430.2 Ų30.22%0.02117%0.171CC..Hα-helixtrans-61.7-35.5175.6-60.7-30.2000111.7S139 I140 V141 R181 L203 P208 N209 F210D137-S139 VanDerWaalsContact C-N 3.31Å; D137-S139 PolarHBondContact O-N 2.93Å; D137-I140 PolarHBondContact O-N 2.84Å; D137-V141 VanDerWaalsContact O-CG2 3.23Å; D137-V141 WeakPolarHBondContact O-CG2 3.29Å; D137-V141 PolarHBondContact O-N 3.26Å; D137-R181 IonicContact OD1-CZ 3.66Å; D137-R181 VanDerWaalsContact OD1-CZ 3.29Å; D137-R181 IonicContact OD1-NE 3.31Å; D137-R181 PolarHBondContact OD1-NE 3.24Å; D137-R181 IonicContact OD1-NH2 2.79Å; D137-R181 PolarHBondContact OD1-NH2 3.47Å; D137-L203 HydrophobicContact CB-CD1 3.69Å; D137-P208 PolarHBondContact N-O 3.47Å; D137-N209 PolarHBondContact N-OD1 3Å; D137-N209 WeakPolarHBondContact OD2-CA 3.39Å; D137-F210 HydrophobicContact CB-CD2 3.55Å; D137-F210 HydrophobicContact CB-CE2 3.67Å; D137-F210 HydrophobicContact CB-CG 4.41Å; D137-F210 WeakPolarHBondContact OD2-CD2 3.4Å; D137-F210 PolarHBondContact OD2-N 2.92Å
138R93.6Very high89.7Confident36 Ų3628.7 Ų28.714%0.13616%0.163CC..Hα-helixtrans-57.1-45.8175.1-179.8176.7172.2-113.113.1111S136 I140 V141 K142 D200 L203 E205 P208S136-R138 PolarHBondContact O-N 3.44Å; R138-I140 PolarHBondContact O-N 3.13Å; R138-V141 PolarHBondContact O-N 2.89Å; R138-K142 WeakPolarHBondContact O-CB 3.31Å; R138-K142 WeakPolarHBondContact O-CG 3.38Å; R138-K142 PolarHBondContact O-N 3.2Å; R138-D200 IonicContact CZ-OD1 2.94Å; R138-D200 IonicContact NE-OD1 3.49Å; R138-D200 PolarHBondContact NE-OD1 2.9Å; R138-D200 IonicContact NH2-OD1 2.88Å; R138-D200 PolarHBondContact NH2-OD1 3.29Å; R138-L203 HydrophobicContact CB-CB 3.87Å; R138-L203 HydrophobicContact CB-CD1 4.1Å; R138-L203 HydrophobicContact CG-CB 4.14Å; R138-L203 VanDerWaalsContact N-CD1 3.32Å; R138-E205 VanDerWaalsContact CZ-CG 3.4Å; R138-E205 IonicContact CZ-OE1 2.65Å; R138-E205 VanDerWaalsContact NH1-CG 3.28Å; R138-E205 IonicContact NH1-OE1 3.86Å; R138-E205 PolarHBondContact NH1-OE1 2.81Å; R138-E205 IonicContact NH2-OE1 3.81Å; R138-E205 PolarHBondContact NH2-OE1 3.44Å; R138-P208 HydrophobicContact CB-CB 4.19Å; R138-P208 WeakPolarHBondContact CB-O 3.48Å; R138-P208 PolarHBondContact N-O 3.39Å
139S91.4Very high89.8Confident50 Ų5035.2 Ų35.235%0.3519%0.193SC..Hα-helixtrans-60-46.6178.2-58.50000111.3S136 D137 V141 K142 I143S136-S139 WeakPolarHBondContact O-CB 3.39Å; S136-S139 PolarHBondContact O-N 2.9Å; S136-S139 VanDerWaalsContact O-N 3.17Å; S136-S139 PolarHBondContact OG-N 3.1Å; S136-S139 PolarHBondContact OG-OG 3.32Å; D137-S139 VanDerWaalsContact C-N 3.31Å; D137-S139 PolarHBondContact O-N 2.93Å; S139-V141 PolarHBondContact O-N 3.34Å; S139-K142 PolarHBondContact O-N 3.42Å; S139-I143 WeakPolarHBondContact O-CD1 3.34Å; S139-I143 VanDerWaalsContact O-CG1 3.28Å; S139-I143 WeakPolarHBondContact O-CG1 2.89Å; S139-I143 PolarHBondContact O-N 2.63Å
140I92.2Very high90Very high1 Ų139.6 Ų39.61%0.00521%0.21CC..Hα-helixtrans-63.1-44.5-179.9-63.4159.5000111.4P76 M128 I130 E135 S136 D137 R138 I143 S144 Y158 R181 L185P76-I140 HydrophobicContact CB-CG1 4.15Å; P76-I140 HydrophobicContact CG-CG1 4.04Å; M128-I140 HydrophobicContact SD-CG2 4.48Å; I130-I140 HydrophobicContact CD1-CD1 4Å; I130-I140 HydrophobicContact CD1-CG2 4.1Å; E135-I140 HydrophobicContact CB-CD1 4.44Å; E135-I140 HydrophobicContact CB-CG1 4.28Å; S136-I140 PolarHBondContact O-N 2.83Å; D137-I140 PolarHBondContact O-N 2.84Å; R138-I140 PolarHBondContact O-N 3.13Å; I140-I143 PolarHBondContact O-N 3.3Å; I140-S144 WeakPolarHBondContact O-CB 3.47Å; I140-S144 PolarHBondContact O-N 3.1Å; I140-S144 PolarHBondContact O-OG 3.04Å; I140-Y158 HydrophobicContact CG2-CD1 4.39Å; I140-Y158 HydrophobicContact CG2-CE1 3.87Å; I140-R181 VanDerWaalsContact CD1-NH2 3.33Å; I140-L185 HydrophobicContact CB-CD2 4.11Å; I140-L185 HydrophobicContact CD1-CD1 4.33Å; I140-L185 HydrophobicContact CG2-CD1 4.36Å; I140-L185 HydrophobicContact CG2-CD2 3.72Å
141V94.1Very high90.3Very high2 Ų240.3 Ų40.31%0.01221%0.213CC..Hα-helixtrans-65.5-40.6178.9177.70000110.6D137 R138 S139 I143 S144 E145 L185 A188 L192 A199 I202 L203 F210D137-V141 VanDerWaalsContact O-CG2 3.23Å; D137-V141 WeakPolarHBondContact O-CG2 3.29Å; D137-V141 PolarHBondContact O-N 3.26Å; R138-V141 PolarHBondContact O-N 2.89Å; S139-V141 PolarHBondContact O-N 3.34Å; V141-I143 PolarHBondContact O-N 3.48Å; V141-S144 WeakPolarHBondContact O-CB 3.23Å; V141-S144 PolarHBondContact O-N 3.18Å; V141-E145 PolarHBondContact O-N 3.4Å; V141-L185 HydrophobicContact CG2-CD2 3.96Å; V141-A188 HydrophobicContact CG2-CB 4.25Å; V141-L192 HydrophobicContact CG1-CD1 3.89Å; V141-L192 HydrophobicContact CG1-CD2 4.25Å; V141-L192 HydrophobicContact CG1-CG 4.35Å; V141-A199 HydrophobicContact CB-CB 4.41Å; V141-A199 HydrophobicContact CG1-CB 3.73Å; V141-I202 HydrophobicContact CG1-CD1 4.45Å; V141-L203 HydrophobicContact CG2-CD1 4.42Å; V141-F210 HydrophobicContact CG2-CE2 4.01Å; V141-F210 HydrophobicContact CG2-CZ 3.86Å
142K94Very high90.7Very high56 Ų5643.7 Ų43.724%0.24322%0.224CC..Hα-helixtrans-60.5-43.7173.5-83.3-166.5170.1-162.20112.8R138 S139 S144 E145 N146 A199 D200R138-K142 WeakPolarHBondContact O-CB 3.31Å; R138-K142 WeakPolarHBondContact O-CG 3.38Å; R138-K142 PolarHBondContact O-N 3.2Å; S139-K142 PolarHBondContact O-N 3.42Å; K142-S144 VanDerWaalsContact C-N 3.32Å; K142-E145 PolarHBondContact O-N 2.62Å; K142-N146 WeakPolarHBondContact O-CB 3.18Å; K142-N146 VanDerWaalsContact O-CG 3.3Å; K142-N146 PolarHBondContact O-N 2.86Å; K142-N146 PolarHBondContact O-ND2 2.95Å; K142-N146 VanDerWaalsContact O-ND2 3.13Å; K142-A199 HydrophobicContact CB-CB 4.3Å; K142-A199 HydrophobicContact CG-CB 3.58Å; K142-D200 WeakPolarHBondContact CE-OD1 3.36Å; K142-D200 WeakPolarHBondContact CE-OD2 3.32Å; K142-D200 IonicContact NZ-OD1 3.3Å; K142-D200 PolarHBondContact NZ-OD1 3.27Å; K142-D200 IonicContact NZ-OD2 3.04Å; K142-D200 PolarHBondContact NZ-OD2 3.21Å
143I91.6Very high91.2Very high34 Ų3443.8 Ų43.817%0.17422%0.224CC..Hα-helixtrans-63.1-45.4176.5-65.7155.2000109.3P76 M128 S139 I140 V141 E145 N146 L147P76-I143 VanDerWaalsContact C-CD1 3.49Å; P76-I143 HydrophobicContact CB-CD1 3.51Å; P76-I143 WeakPolarHBondContact O-CD1 3.4Å; M128-I143 HydrophobicContact CE-CG2 3.59Å; S139-I143 WeakPolarHBondContact O-CD1 3.34Å; S139-I143 VanDerWaalsContact O-CG1 3.28Å; S139-I143 WeakPolarHBondContact O-CG1 2.89Å; S139-I143 PolarHBondContact O-N 2.63Å; I140-I143 PolarHBondContact O-N 3.3Å; V141-I143 PolarHBondContact O-N 3.48Å; I143-E145 PolarHBondContact O-N 3.38Å; I143-N146 PolarHBondContact O-N 3.48Å; I143-L147 HydrophobicContact CG2-CD1 4.01Å; I143-L147 HydrophobicContact CG2-CG 4.22Å; I143-L147 VanDerWaalsContact O-CG 3.25Å; I143-L147 WeakPolarHBondContact O-CG 3.39Å; I143-L147 PolarHBondContact O-N 3.39Å
144S93.6Very high91.8Very high0 Ų048.7 Ų48.70%024%0.243CC..Hα-helixtrans-57.6-48.2177.9-55.40000111.7I140 V141 K142 N146 L147 Y148 Y158I140-S144 WeakPolarHBondContact O-CB 3.47Å; I140-S144 PolarHBondContact O-N 3.1Å; I140-S144 PolarHBondContact O-OG 3.04Å; V141-S144 WeakPolarHBondContact O-CB 3.23Å; V141-S144 PolarHBondContact O-N 3.18Å; K142-S144 VanDerWaalsContact C-N 3.32Å; S144-N146 PolarHBondContact O-N 3.08Å; S144-L147 PolarHBondContact O-N 3.24Å; S144-Y148 WeakPolarHBondContact O-CD2 3.25Å; S144-Y148 PolarHBondContact O-N 3.08Å; S144-Y158 WeakPolarHBondContact CB-OH 3.36Å; S144-Y158 PolarHBondContact OG-OH 2.95Å
145E95.4Very high92.4Very high28 Ų2846.9 Ų46.913%0.13122%0.22CC..Hα-helixtrans-56.2-49.9174.5179.3176.4-117.900112.1V141 K142 I143 L147 Y148 Q149 L192 T198 A199V141-E145 PolarHBondContact O-N 3.4Å; K142-E145 PolarHBondContact O-N 2.62Å; I143-E145 PolarHBondContact O-N 3.38Å; E145-L147 VanDerWaalsContact C-N 3.3Å; E145-L147 PolarHBondContact O-N 3.45Å; E145-Y148 PolarHBondContact O-N 3.23Å; E145-Q149 WeakPolarHBondContact O-CG 3.39Å; E145-Q149 PolarHBondContact O-N 3.27Å; E145-L192 HydrophobicContact CB-CD1 4.1Å; E145-T198 WeakPolarHBondContact OE1-CA 3.44Å; E145-T198 WeakPolarHBondContact OE1-CB 3.46Å; E145-A199 HydrophobicContact CB-CB 4.35Å; E145-A199 PolarHBondContact OE1-N 2.97Å; E145-A199 VanDerWaalsContact OE1-N 3.09Å; E145-A199 WeakPolarHBondContact OE2-CB 3.37Å
146N92.8Very high92.8Very high91 Ų9146 Ų4649%0.48722%0.216SC..Hα-helixtrans-59.4-40.5177.6-76.5-36.2000112.1K142 I143 S144 Q149 K150K142-N146 WeakPolarHBondContact O-CB 3.18Å; K142-N146 VanDerWaalsContact O-CG 3.3Å; K142-N146 PolarHBondContact O-N 2.86Å; K142-N146 PolarHBondContact O-ND2 2.95Å; K142-N146 VanDerWaalsContact O-ND2 3.13Å; I143-N146 PolarHBondContact O-N 3.48Å; S144-N146 PolarHBondContact O-N 3.08Å; N146-Q149 PolarHBondContact O-N 3.47Å; N146-K150 WeakPolarHBondContact O-CB 3.42Å; N146-K150 PolarHBondContact O-N 3.16Å
147L92.7Very high92.9Very high7 Ų747.6 Ų47.64%0.03722%0.218CC..Hα-helixtrans-67.3-40178.3-67177.2000112.1Y94 M97 T126 M128 I143 S144 E145 Y151 L153Y94-L147 HydrophobicContact CD1-CD2 4.18Å; Y94-L147 HydrophobicContact CE1-CD2 3.7Å; M97-L147 HydrophobicContact CE-CD2 4.2Å; T126-L147 HydrophobicContact CG2-CD1 4.09Å; M128-L147 HydrophobicContact CE-CD1 3.33Å; I143-L147 HydrophobicContact CG2-CD1 4.01Å; I143-L147 HydrophobicContact CG2-CG 4.22Å; I143-L147 VanDerWaalsContact O-CG 3.25Å; I143-L147 WeakPolarHBondContact O-CG 3.39Å; I143-L147 PolarHBondContact O-N 3.39Å; S144-L147 PolarHBondContact O-N 3.24Å; E145-L147 VanDerWaalsContact C-N 3.3Å; E145-L147 PolarHBondContact O-N 3.45Å; L147-Y151 HydrophobicContact CD2-CD2 3.68Å; L147-Y151 HydrophobicContact CD2-CE2 3.7Å; L147-Y151 WeakPolarHBondContact O-CB 3.29Å; L147-Y151 PolarHBondContact O-N 3.41Å; L147-L153 HydrophobicContact CB-CD1 3.63Å; L147-L153 HydrophobicContact CB-CG 4.41Å; L147-L153 HydrophobicContact CD1-CD1 4.31Å
148Y94.6Very high92.9Very high31 Ų3147.5 Ų47.512%0.12222%0.217CC..Hα-helixtrans-61.3-47.9173.6-74.6-56.5000112.2S144 E145 Q152 L153 R155 V156 D189 R193S144-Y148 WeakPolarHBondContact O-CD2 3.25Å; S144-Y148 PolarHBondContact O-N 3.08Å; E145-Y148 PolarHBondContact O-N 3.23Å; Y148-Q152 WeakPolarHBondContact O-CA 3.32Å; Y148-Q152 PolarHBondContact O-N 2.88Å; Y148-Q152 VanDerWaalsContact O-N 3.08Å; Y148-L153 HydrophobicContact CD1-CB 3.66Å; Y148-L153 VanDerWaalsContact CD1-O 3.22Å; Y148-L153 WeakPolarHBondContact CD1-O 3.29Å; Y148-L153 HydrophobicContact CE1-CB 3.8Å; Y148-L153 WeakPolarHBondContact CE1-O 3.44Å; Y148-R155 WeakPolarHBondContact OH-CA 3.08Å; Y148-V156 HydrophobicContact CE1-CG2 4.29Å; Y148-V156 HydrophobicContact CE2-CG2 3.95Å; Y148-V156 PolarHBondContact OH-N 2.85Å; Y148-D189 WeakPolarHBondContact CE2-OD1 3.4Å; Y148-D189 PolarHBondContact OH-OD1 3.35Å; Y148-D189 PolarHBondContact OH-OD2 3.2Å; Y148-R193 HydrophobicContact CD1-CG 4.38Å; Y148-R193 HydrophobicContact CD2-CG 4.36Å; Y148-R193 HydrophobicContact CE1-CG 4.01Å; Y148-R193 HydrophobicContact CE2-CG 3.96Å; Y148-R193 VanDerWaalsContact CZ-CD 3.46Å; Y148-R193 WeakPolarHBondContact OH-CD 3.3Å; Y148-R193 PolarHBondContact OH-NE 2.9Å
149Q93.1Very high92.5Very high137 Ų13747.4 Ų47.464%0.6422%0.223SC*.Hα-helixtrans-66.8-43.4-178.3-69.1178.33.900112.1E145 N146E145-Q149 WeakPolarHBondContact O-CG 3.39Å; E145-Q149 PolarHBondContact O-N 3.27Å; N146-Q149 PolarHBondContact O-N 3.47Å
150K91.9Very high92.1Very high143 Ų14345.6 Ų45.662%0.62221%0.211SC*.Hα-helixtrans-82.4-37.2-172.6-167.1171.7-179.1-177.40113.7N146N146-K150 WeakPolarHBondContact O-CB 3.42Å; N146-K150 PolarHBondContact O-N 3.16Å
151Y92.7Very high91.6Very high16 Ų1647 Ų476%0.06322%0.216CC..Hα-helixtrans-116.76.6-172.1-54.9-69.7000114Y94 M97 K98 T101 Q124 L147 L153Y94-Y151 HydrophobicContact CD1-CE2 4.11Å; M97-Y151 HydrophobicContact CB-CD1 3.9Å; M97-Y151 HydrophobicContact CB-CE1 4.23Å; M97-Y151 HydrophobicContact CB-CG 4.09Å; M97-Y151 HydrophobicContact CE-CD2 4.03Å; M97-Y151 HydrophobicContact CE-CG 4.25Å; K98-Y151 HydrophobicContact CB-CD1 4.47Å; K98-Y151 HydrophobicContact CB-CE1 3.91Å; K98-Y151 HydrophobicContact CG-CE1 4.49Å; T101-Y151 WeakPolarHBondContact OG1-CA 3.31Å; T101-Y151 PolarHBondContact OG1-O 3.37Å; Q124-Y151 PolarHBondContact NE2-O 3.38Å; L147-Y151 HydrophobicContact CD2-CD2 3.68Å; L147-Y151 HydrophobicContact CD2-CE2 3.7Å; L147-Y151 WeakPolarHBondContact O-CB 3.29Å; L147-Y151 PolarHBondContact O-N 3.41Å; Y151-L153 PolarHBondContact O-N 3.45Å; Y151-L153 VanDerWaalsContact O-N 3.1Å
152Q90.9Very high90.7Very high88 Ų8852.2 Ų52.241%0.41124%0.243SC..  trans50.738.3179.9-61.6179.1-46.400112.9K105 Y148K105-Q152 VanDerWaalsContact CE-CD 3.5Å; Y148-Q152 WeakPolarHBondContact O-CA 3.32Å; Y148-Q152 PolarHBondContact O-N 2.88Å; Y148-Q152 VanDerWaalsContact O-N 3.08Å
153L93.3Very high89.6Confident11 Ų1150.3 Ų50.36%0.05824%0.236CC..  trans-57144.6178.9-70-171.3000110.8M97 Q124 T126 L147 Y148 Y151 V156M97-L153 HydrophobicContact CE-CD1 3.9Å; M97-L153 HydrophobicContact CE-CD2 3.66Å; M97-L153 HydrophobicContact CE-CG 4.11Å; Q124-L153 HydrophobicContact CB-CD2 4.22Å; Q124-L153 HydrophobicContact CG-CD2 3.63Å; T126-L153 HydrophobicContact CG2-CD1 3.64Å; L147-L153 HydrophobicContact CB-CD1 3.63Å; L147-L153 HydrophobicContact CB-CG 4.41Å; L147-L153 HydrophobicContact CD1-CD1 4.31Å; Y148-L153 HydrophobicContact CD1-CB 3.66Å; Y148-L153 VanDerWaalsContact CD1-O 3.22Å; Y148-L153 WeakPolarHBondContact CD1-O 3.29Å; Y148-L153 HydrophobicContact CE1-CB 3.8Å; Y148-L153 WeakPolarHBondContact CE1-O 3.44Å; Y151-L153 PolarHBondContact O-N 3.45Å; Y151-L153 VanDerWaalsContact O-N 3.1Å; L153-V156 HydrophobicContact CD1-CG2 3.95Å
154K93.1Very high88.6Confident113 Ų11354 Ų5449%0.49126%0.26SS..SBendtrans-83.4-33.8171.2-67.8-61.2-174.2-177.90111.9Q124Q124-K154 PolarHBondContact O-N 3.32Å
155R92.9Very high87.4Confident92 Ų9259.1 Ų59.135%0.34729%0.288SS..EExtended strand (participates in β ladder)trans-159.8142.2-179.3-160.4166.2-176.7177.50112.4S125 T126 Y148 Y157S125-R155 WeakPolarHBondContact CA-O 3.43Å; S125-R155 WeakPolarHBondContact CB-O 3.49Å; T126-R155 PolarHBondContact N-O 3.5Å; Y148-R155 WeakPolarHBondContact OH-CA 3.08Å; R155-Y157 HydrophobicContact CB-CE2 4.36Å; R155-Y157 HydrophobicContact CG-CE1 4.35Å
156V93.4Very high86.1Confident0 Ų066.6 Ų66.60%032%0.323CS..EExtended strand (participates in β ladder)trans-100.3123.8161.4179.60000107T126 M128 Y148 L153 Y158T126-V156 HydrophobicContact CG2-CB 4.19Å; T126-V156 HydrophobicContact CG2-CG1 3.98Å; T126-V156 HydrophobicContact CG2-CG2 3.83Å; M128-V156 HydrophobicContact CE-CG1 4.17Å; M128-V156 HydrophobicContact CG-CG1 4.36Å; M128-V156 HydrophobicContact SD-CG1 4.04Å; Y148-V156 HydrophobicContact CE1-CG2 4.29Å; Y148-V156 HydrophobicContact CE2-CG2 3.95Å; Y148-V156 PolarHBondContact OH-N 2.85Å; L153-V156 HydrophobicContact CD1-CG2 3.95Å; V156-Y158 HydrophobicContact CG1-CD1 4.27Å; V156-Y158 HydrophobicContact CG1-CE1 3.64Å; V156-Y158 HydrophobicContact CG1-CE2 4.4Å
157Y92.4Very high85.2Confident60 Ų6066.1 Ų66.124%0.23532%0.32CS..EExtended strand (participates in β ladder)trans-92.4132.6173.5-67.3-79.4000109.4T126 Q127 M128 R155T126-Y157 WeakPolarHBondContact O-CD2 3.37Å; T126-Y157 PolarHBondContact O-N 2.86Å; Q127-Y157 CarbonylContact C-O 3.51Å; Q127-Y157 VanDerWaalsContact CA-O 3.27Å; Q127-Y157 WeakPolarHBondContact CA-O 3.47Å; M128-Y157 PolarHBondContact N-O 3.48Å; R155-Y157 HydrophobicContact CB-CE2 4.36Å; R155-Y157 HydrophobicContact CG-CE1 4.35Å
158Y90.8Very high84.4Confident1 Ų173.9 Ų73.90%0.00436%0.362CS..EExtended strand (participates in β ladder)trans-105.5140.6173-52.2-73.7000108.6M128 I130 I140 S144 V156 L185 Y186 D189M128-Y158 HydrophobicContact CB-CD1 4.47Å; M128-Y158 CarbonylContact O-C 3.58Å; M128-Y158 WeakPolarHBondContact O-CA 3.46Å; M128-Y158 HydrophobicContact SD-CE1 4.42Å; I130-Y158 HydrophobicContact CD1-CD1 3.92Å; I130-Y158 HydrophobicContact CG1-CD1 4.18Å; I130-Y158 HydrophobicContact CG1-CG 4.49Å; I140-Y158 HydrophobicContact CG2-CD1 4.39Å; I140-Y158 HydrophobicContact CG2-CE1 3.87Å; S144-Y158 WeakPolarHBondContact CB-OH 3.36Å; S144-Y158 PolarHBondContact OG-OH 2.95Å; V156-Y158 HydrophobicContact CG1-CD1 4.27Å; V156-Y158 HydrophobicContact CG1-CE1 3.64Å; V156-Y158 HydrophobicContact CG1-CE2 4.4Å; Y158-L185 HydrophobicContact CD1-CB 4.3Å; Y158-L185 HydrophobicContact CD1-CD1 4.44Å; Y158-L185 HydrophobicContact CD2-CB 4.02Å; Y158-L185 HydrophobicContact CE1-CB 4.47Å; Y158-L185 HydrophobicContact CE2-CB 4.23Å; Y158-L185 HydrophobicContact CG-CB 4.05Å; Y158-Y186 AromaticContact CD2-CD1 3.71Å; Y158-Y186 HydrophobicContact CD2-CD1 3.71Å; Y158-Y186 HydrophobicContact CD2-CD2 4.19Å; Y158-Y186 AromaticContact CD2-CE1 3.76Å; Y158-Y186 HydrophobicContact CD2-CE1 3.76Å; Y158-Y186 HydrophobicContact CD2-CE2 4.24Å; Y158-Y186 AromaticContact CD2-CG 3.93Å; Y158-Y186 HydrophobicContact CD2-CG 3.93Å; Y158-Y186 HydrophobicContact CE2-CD1 4.23Å; Y158-Y186 HydrophobicContact CE2-CE1 4.48Å; Y158-Y186 PolarHBondContact N-OH 3.34Å; Y158-Y186 WeakPolarHBondContact O-CE2 3.44Å; Y158-Y186 PolarHBondContact O-OH 2.68Å; Y158-D189 HydrophobicContact CE2-CB 3.71Å
159S86.6Confident83.5Confident35 Ų3576.8 Ų76.825%0.24538%0.378CS..EExtended strand (participates in β ladder)trans-135.1124.6174.5-57.60000108.6Q127 M128 I129 I130 Y161Q127-S159 PolarHBondContact NE2-OG 2.79Å; M128-S159 PolarHBondContact O-N 2.82Å; I129-S159 CarbonylContact C-O 3.56Å; I129-S159 VanDerWaalsContact CA-O 3.32Å; I129-S159 WeakPolarHBondContact CA-O 3.35Å; I130-S159 PolarHBondContact N-O 3.5Å; S159-Y161 PolarHBondContact O-N 3Å
160A81.8Confident82.9Confident12 Ų1272.3 Ų72.310%0.09936%0.359CS..EExtended strand (participates in β ladder)trans-57.3136.7171.900000110.5I162 P177 P178 L179 E182A160-I162 PolarHBondContact O-N 2.72Å; A160-P177 HydrophobicContact CB-CB 4.14Å; A160-P178 HydrophobicContact CB-CG 4.35Å; A160-L179 HydrophobicContact CB-CD2 4.01Å; A160-E182 HydrophobicContact CB-CB 4.48Å; A160-E182 VanDerWaalsContact CB-OE2 3.23Å; A160-E182 WeakPolarHBondContact CB-OE2 3.38Å; A160-E182 PolarHBondContact N-OE2 3.08Å
161Y81.1Confident81.9Confident29 Ų2967.1 Ų67.111%0.11434%0.34CS..  trans-64127.4170.3174.4-112.4000109.3I129 I130 A132 S159 P163 L170 P171I129-Y161 HydrophobicContact CG2-CD2 4.19Å; I129-Y161 HydrophobicContact CG2-CG 4.48Å; I130-Y161 WeakPolarHBondContact O-CB 3.45Å; I130-Y161 PolarHBondContact O-N 3.04Å; A132-Y161 HydrophobicContact CB-CD2 3.74Å; A132-Y161 HydrophobicContact CB-CE2 4.33Å; A132-Y161 HydrophobicContact CB-CG 3.86Å; S159-Y161 PolarHBondContact O-N 3Å; Y161-P163 HydrophobicContact CE1-CB 3.67Å; Y161-P163 HydrophobicContact CE1-CG 4.48Å; Y161-L170 HydrophobicContact CE2-CD2 4.27Å; Y161-L170 WeakPolarHBondContact OH-CB 3.38Å; Y161-P171 HydrophobicContact CD1-CB 4.33Å; Y161-P171 HydrophobicContact CD1-CG 3.91Å; Y161-P171 HydrophobicContact CE1-CB 3.95Å; Y161-P171 HydrophobicContact CE1-CG 3.75Å
162I76.4Confident80.6Confident112 Ų11269 Ų6957%0.57436%0.359SS*.  trans-111.8114.2173.9-59.1174000106A160 V164 P177A160-I162 PolarHBondContact O-N 2.72Å; I162-V164 HydrophobicContact CG2-CG1 4.34Å; I162-V164 PolarHBondContact O-N 3.42Å; I162-P177 HydrophobicContact CG1-CB 4.48Å; I162-P177 HydrophobicContact CG1-CG 4.26Å
163P70.1Confident79Confident16 Ų1668.2 Ų68.210%0.10436%0.36CS..  trans-75.6115.3-17832.3-34.7000109.8Y161 V173Y161-P163 HydrophobicContact CE1-CB 3.67Å; Y161-P163 HydrophobicContact CE1-CG 4.48Å; P163-V173 HydrophobicContact CB-CB 4.5Å; P163-V173 HydrophobicContact CB-CG2 4.44Å
164V71.8Confident76.6Confident113 Ų11373.9 Ų73.969%0.68540%0.395SS*.  trans-111.7-25177.1-66.70000112.4I162I162-V164 HydrophobicContact CG2-CG1 4.34Å; I162-V164 PolarHBondContact O-N 3.42Å
165N67.8Low75Confident107 Ų10771.7 Ų71.757%0.57239%0.391SS*.SBendtrans-114.5144.7-177.6-66.3-22000110.3D167N165-D167 PolarHBondContact O-N 3.37Å
166Q68.4Low73.4Confident185 Ų18575 Ų7586%0.86441%0.41SS*.  trans-84.6105.2166.6-71.5-177.2-9.100109V173Q166-V173 HydrophobicContact CG-CG2 3.73Å
167D73.9Confident72.2Confident80 Ų8077.3 Ų77.343%0.42843%0.425SS..  trans-136.7137171.6-168.4-33.2000108.3N165 L169 L170N165-D167 PolarHBondContact O-N 3.37Å; D167-L169 PolarHBondContact O-N 3.28Å; D167-L169 PolarHBondContact OD1-N 3.01Å; D167-L170 HydrophobicContact CB-CB 4.39Å; D167-L170 HydrophobicContact CB-CD1 4.17Å; D167-L170 HydrophobicContact CB-CG 4.45Å; D167-L170 PolarHBondContact O-N 3.33Å; D167-L170 VanDerWaalsContact O-O 3.12Å
168N74.8Confident71.4Confident171 Ų17176 Ų7691%0.91443%0.425SS*.THydrogen-bonded Turntrans-66.9-21.5179.5-68-11.5000112.9L170N168-L170 VanDerWaalsContact C-N 3.31Å
169L77.2Confident70.8Confident91 Ų9181.4 Ų81.448%0.47645%0.453SS..THydrogen-bonded Turntrans-79-16.7176.9-65.1175.1000113L83 L84 D167L83-L169 HydrophobicContact CD1-CD2 3.97Å; L83-L169 HydrophobicContact CG-CD2 4.37Å; L84-L169 HydrophobicContact CD2-CB 3.78Å; D167-L169 PolarHBondContact O-N 3.28Å; D167-L169 PolarHBondContact OD1-N 3.01Å
170L80.2Confident70.4Confident44 Ų4483.4 Ų83.423%0.2346%0.46CS..SBendtrans-109.9156.9-176.5-70.3169.6000110.9L84 A132 Y161 D167 N168 A172L84-L170 HydrophobicContact CD1-CD2 4.01Å; L84-L170 HydrophobicContact CD2-CD2 3.8Å; L84-L170 HydrophobicContact CD2-CG 4.21Å; A132-L170 HydrophobicContact CB-CD2 4.33Å; Y161-L170 HydrophobicContact CE2-CD2 4.27Å; Y161-L170 WeakPolarHBondContact OH-CB 3.38Å; D167-L170 HydrophobicContact CB-CB 4.39Å; D167-L170 HydrophobicContact CB-CD1 4.17Å; D167-L170 HydrophobicContact CB-CG 4.45Å; D167-L170 PolarHBondContact O-N 3.33Å; D167-L170 VanDerWaalsContact O-O 3.12Å; N168-L170 VanDerWaalsContact C-N 3.31Å; L170-A172 PolarHBondContact O-N 3.37Å
171P71.2Confident70.5Confident34 Ų3484.7 Ų84.722%0.22146%0.463CS..  trans-55.1140.1170.5-19.126.9000111G131 A132 Y161 T175G131-P171 WeakPolarHBondContact O-CG 3.42Å; A132-P171 WeakPolarHBondContact O-CD 3.49Å; Y161-P171 HydrophobicContact CD1-CB 4.33Å; Y161-P171 HydrophobicContact CD1-CG 3.91Å; Y161-P171 HydrophobicContact CE1-CB 3.95Å; Y161-P171 HydrophobicContact CE1-CG 3.75Å; P171-T175 HydrophobicContact CB-CG2 4.26Å
172A65.5Low70.7Confident56 Ų5685.4 Ų85.446%0.46347%0.467SS..  trans-56.9153.3-178.600000111.9L170 T174 T175L170-A172 PolarHBondContact O-N 3.37Å; A172-T174 PolarHBondContact O-N 3.01Å; A172-T174 VanDerWaalsContact O-N 3.07Å; A172-T175 PolarHBondContact N-OG1 2.96Å; A172-T175 WeakPolarHBondContact O-CB 3.17Å; A172-T175 PolarHBondContact O-N 3.48Å; A172-T175 PolarHBondContact O-OG1 2.91Å
173V55.6Low71.1Confident70 Ų7084.7 Ų84.742%0.42446%0.461SS..THydrogen-bonded Turntrans-59.6-21.8179.1-175.90000113.3P163 Q166 T175P163-V173 HydrophobicContact CB-CB 4.5Å; P163-V173 HydrophobicContact CB-CG2 4.44Å; Q166-V173 HydrophobicContact CG-CG2 3.73Å; V173-T175 VanDerWaalsContact C-N 3.27Å; V173-T175 PolarHBondContact O-N 2.85Å
174T42.9Very low72.1Confident131 Ų13184.3 Ų84.380%0.80446%0.457SS*.THydrogen-bonded Turntrans-76.5-7.8173.553.40000114.3A172 E176A172-T174 PolarHBondContact O-N 3.01Å; A172-T174 VanDerWaalsContact O-N 3.07Å; T174-E176 PolarHBondContact O-N 3.49Å
175T61Low73.1Confident66 Ų6678.9 Ų78.941%0.40543%0.425SS..SBendtrans-76.3119.1-179.1-45.60000109.8P171 A172 V173P171-T175 HydrophobicContact CB-CG2 4.26Å; A172-T175 PolarHBondContact N-OG1 2.96Å; A172-T175 WeakPolarHBondContact O-CB 3.17Å; A172-T175 PolarHBondContact O-N 3.48Å; A172-T175 PolarHBondContact O-OG1 2.91Å; V173-T175 VanDerWaalsContact C-N 3.27Å; V173-T175 PolarHBondContact O-N 2.85Å
176E58.9Low74.4Confident161 Ų16176.2 Ų76.275%0.75241%0.407SS*.PPolyproline II helixtrans-61.8136.7174.9-69.8-172.6174.200111.2T174T174-E176 PolarHBondContact O-N 3.49Å
177P68.2Low75.6Confident49 Ų4969.7 Ų69.732%0.31838%0.377SS..PPolyproline II helixtrans-57.4132.9174.8-24.833.7000110.9A160 I162 L179A160-P177 HydrophobicContact CB-CB 4.14Å; I162-P177 HydrophobicContact CG1-CB 4.48Å; I162-P177 HydrophobicContact CG1-CG 4.26Å; P177-L179 HydrophobicContact CB-CD2 4.4Å; P177-L179 HydrophobicContact CB-CG 4.33Å; P177-L179 PolarHBondContact O-N 3.43Å
178P76.3Confident76.6Confident34 Ų3465.9 Ų65.922%0.22136%0.356CS..  trans-79.561.7-173.833.9-39.4000112.4I130 A160 L180 R181 E182I130-P178 WeakPolarHBondContact O-CG 3.23Å; A160-P178 HydrophobicContact CB-CG 4.35Å; P178-L180 VanDerWaalsContact C-N 3.34Å; P178-L180 PolarHBondContact O-N 2.88Å; P178-R181 HydrophobicContact CB-CB 3.9Å; P178-R181 VanDerWaalsContact O-CB 3.28Å; P178-R181 WeakPolarHBondContact O-CB 3.39Å; P178-R181 PolarHBondContact O-N 2.76Å; P178-R181 VanDerWaalsContact O-N 3.08Å; P178-E182 PolarHBondContact O-N 2.88Å
179L76.6Confident77.6Confident114 Ų11457.8 Ų57.860%0.59731%0.313SS*.Hα-helixtrans-61.5-37.7-174-61.7173.5000113A160 P177 R181 E182 H183A160-L179 HydrophobicContact CB-CD2 4.01Å; P177-L179 HydrophobicContact CB-CD2 4.4Å; P177-L179 HydrophobicContact CB-CG 4.33Å; P177-L179 PolarHBondContact O-N 3.43Å; L179-R181 VanDerWaalsContact C-N 3.33Å; L179-E182 PolarHBondContact O-N 3.1Å; L179-H183 WeakPolarHBondContact O-CB 3.32Å; L179-H183 PolarHBondContact O-N 3.04Å
180L79.4Confident78.4Confident76 Ų7659.1 Ų59.140%0.39831%0.312SS..Hα-helixtrans-65.4-39.5175.8-71178.5000111.3P178 H183 R184 L212P178-L180 VanDerWaalsContact C-N 3.34Å; P178-L180 PolarHBondContact O-N 2.88Å; L180-H183 PolarHBondContact O-N 2.96Å; L180-R184 WeakPolarHBondContact O-CG 3.2Å; L180-R184 PolarHBondContact O-N 2.94Å; L180-L212 HydrophobicContact CB-CB 4.44Å; L180-L212 HydrophobicContact CB-CD2 4.3Å; L180-L212 HydrophobicContact CD1-CB 4.47Å
181R83.9Confident79.2Confident40 Ų4057.5 Ų57.515%0.15130%0.303CS..Hα-helixtrans-63.9-46.2176.7-169.3-175.7174.8-163-3.5111I130 E135 D137 I140 P178 L179 H183 R184 L185 L212I130-R181 HydrophobicContact CG2-CG 4.13Å; E135-R181 PolarHBondContact O-NH2 3.21Å; D137-R181 IonicContact OD1-CZ 3.66Å; D137-R181 VanDerWaalsContact OD1-CZ 3.29Å; D137-R181 IonicContact OD1-NE 3.31Å; D137-R181 PolarHBondContact OD1-NE 3.24Å; D137-R181 IonicContact OD1-NH2 2.79Å; D137-R181 PolarHBondContact OD1-NH2 3.47Å; I140-R181 VanDerWaalsContact CD1-NH2 3.33Å; P178-R181 HydrophobicContact CB-CB 3.9Å; P178-R181 VanDerWaalsContact O-CB 3.28Å; P178-R181 WeakPolarHBondContact O-CB 3.39Å; P178-R181 PolarHBondContact O-N 2.76Å; P178-R181 VanDerWaalsContact O-N 3.08Å; L179-R181 VanDerWaalsContact C-N 3.33Å; R181-H183 VanDerWaalsContact C-N 3.31Å; R181-H183 PolarHBondContact O-N 3.28Å; R181-R184 PolarHBondContact O-N 3.48Å; R181-L185 HydrophobicContact CG-CD1 4.47Å; R181-L185 WeakPolarHBondContact O-CG 3.26Å; R181-L185 PolarHBondContact O-N 3.42Å; R181-L212 HydrophobicContact CB-CD2 4.2Å
182E85.6Confident80.3Confident43 Ų4356.9 Ų56.920%0.20130%0.298CS..Hα-helixtrans-54.6-47.5172.8-176.4-168.2148.900111.2A160 P178 L179 R184 L185 Y186A160-E182 HydrophobicContact CB-CB 4.48Å; A160-E182 VanDerWaalsContact CB-OE2 3.23Å; A160-E182 WeakPolarHBondContact CB-OE2 3.38Å; A160-E182 PolarHBondContact N-OE2 3.08Å; P178-E182 PolarHBondContact O-N 2.88Å; L179-E182 PolarHBondContact O-N 3.1Å; E182-R184 PolarHBondContact O-N 2.78Å; E182-L185 WeakPolarHBondContact O-CB 3.42Å; E182-L185 PolarHBondContact O-N 2.94Å; E182-Y186 HydrophobicContact CG-CD2 4.07Å; E182-Y186 HydrophobicContact CG-CE2 3.87Å; E182-Y186 WeakPolarHBondContact O-CD2 3.32Å; E182-Y186 PolarHBondContact O-N 3.13Å; E182-Y186 WeakPolarHBondContact OE1-CE2 3.17Å
183H83.3Confident81.7Confident97 Ų9757.2 Ų57.245%0.44929%0.287SS..Hα-helixtrans-63.2-39.5179-176.9-153.8000112.5L179 L180 R181 Y186 Q187L179-H183 WeakPolarHBondContact O-CB 3.32Å; L179-H183 PolarHBondContact O-N 3.04Å; L180-H183 PolarHBondContact O-N 2.96Å; R181-H183 VanDerWaalsContact C-N 3.31Å; R181-H183 PolarHBondContact O-N 3.28Å; H183-Y186 PolarHBondContact O-N 2.99Å; H183-Q187 PolarHBondContact CE1-NE2 2.74Å; H183-Q187 VanDerWaalsContact CE1-NE2 3.26Å; H183-Q187 PolarHBondContact NE2-NE2 3.23Å; H183-Q187 WeakPolarHBondContact O-CG 3.39Å; H183-Q187 PolarHBondContact O-N 3.5Å; H183-Q187 VanDerWaalsContact O-N 3.12Å
184R91.3Very high83.5Confident8 Ų858.2 Ų58.23%0.0329%0.286CS..Hα-helixtrans-66.4-38.1175.3-63.9-52.3166.7-174.510.1112.4L180 R181 E182 Q187 A188 F210 L212 Y213 L214 D215L180-R184 WeakPolarHBondContact O-CG 3.2Å; L180-R184 PolarHBondContact O-N 2.94Å; R181-R184 PolarHBondContact O-N 3.48Å; E182-R184 PolarHBondContact O-N 2.78Å; R184-Q187 WeakPolarHBondContact O-CB 3.49Å; R184-Q187 PolarHBondContact O-N 3.22Å; R184-A188 PolarHBondContact O-N 2.94Å; R184-F210 HydrophobicContact CB-CB 4.05Å; R184-F210 HydrophobicContact CB-CD2 3.9Å; R184-F210 HydrophobicContact CB-CG 3.98Å; R184-F210 HydrophobicContact CG-CB 4.29Å; R184-L212 VanDerWaalsContact CZ-O 3.32Å; R184-L212 PolarHBondContact NE-O 3.46Å; R184-L212 PolarHBondContact NH2-O 3.31Å; R184-Y213 PolarHBondContact NH2-O 2.88Å; R184-L214 VanDerWaalsContact CZ-C 3.45Å; R184-L214 VanDerWaalsContact CZ-O 3.23Å; R184-L214 PolarHBondContact NE-O 3.36Å; R184-L214 PolarHBondContact NH1-O 3.25Å; R184-D215 VanDerWaalsContact NH1-N 3.18Å
185L92.8Very high86Confident0 Ų053.6 Ų53.60%025%0.254CS..Hα-helixtrans-61.5-44.8174.2-75.8164.1000111.9I130 I140 V141 Y158 R181 E182 Q187 A188 D189 F210I130-L185 HydrophobicContact CB-CD1 4.25Å; I130-L185 HydrophobicContact CD1-CD1 3.74Å; I130-L185 HydrophobicContact CG1-CD1 3.64Å; I130-L185 HydrophobicContact CG2-CD1 3.61Å; I140-L185 HydrophobicContact CB-CD2 4.11Å; I140-L185 HydrophobicContact CD1-CD1 4.33Å; I140-L185 HydrophobicContact CG2-CD1 4.36Å; I140-L185 HydrophobicContact CG2-CD2 3.72Å; V141-L185 HydrophobicContact CG2-CD2 3.96Å; Y158-L185 HydrophobicContact CD1-CB 4.3Å; Y158-L185 HydrophobicContact CD1-CD1 4.44Å; Y158-L185 HydrophobicContact CD2-CB 4.02Å; Y158-L185 HydrophobicContact CE1-CB 4.47Å; Y158-L185 HydrophobicContact CE2-CB 4.23Å; Y158-L185 HydrophobicContact CG-CB 4.05Å; R181-L185 HydrophobicContact CG-CD1 4.47Å; R181-L185 WeakPolarHBondContact O-CG 3.26Å; R181-L185 PolarHBondContact O-N 3.42Å; E182-L185 WeakPolarHBondContact O-CB 3.42Å; E182-L185 PolarHBondContact O-N 2.94Å; L185-Q187 VanDerWaalsContact C-N 3.28Å; L185-Q187 PolarHBondContact O-N 3.01Å; L185-A188 PolarHBondContact O-N 3.48Å; L185-D189 VanDerWaalsContact O-CB 3.28Å; L185-D189 WeakPolarHBondContact O-CB 3Å; L185-D189 PolarHBondContact O-N 3.37Å; L185-F210 HydrophobicContact CD2-CE2 3.93Å; L185-F210 HydrophobicContact CG-CE2 4.35Å
186Y94.6Very high87.5Confident50 Ų5056.2 Ų56.220%0.19626%0.26CS..Hα-helixtrans-60.9-36.3173.7-85.1-62.3000113.3Y158 E182 H183 W190Y158-Y186 AromaticContact CD2-CD1 3.71Å; Y158-Y186 HydrophobicContact CD2-CD1 3.71Å; Y158-Y186 HydrophobicContact CD2-CD2 4.19Å; Y158-Y186 AromaticContact CD2-CE1 3.76Å; Y158-Y186 HydrophobicContact CD2-CE1 3.76Å; Y158-Y186 HydrophobicContact CD2-CE2 4.24Å; Y158-Y186 AromaticContact CD2-CG 3.93Å; Y158-Y186 HydrophobicContact CD2-CG 3.93Å; Y158-Y186 HydrophobicContact CE2-CD1 4.23Å; Y158-Y186 HydrophobicContact CE2-CE1 4.48Å; Y158-Y186 PolarHBondContact N-OH 3.34Å; Y158-Y186 WeakPolarHBondContact O-CE2 3.44Å; Y158-Y186 PolarHBondContact O-OH 2.68Å; E182-Y186 HydrophobicContact CG-CD2 4.07Å; E182-Y186 HydrophobicContact CG-CE2 3.87Å; E182-Y186 WeakPolarHBondContact O-CD2 3.32Å; E182-Y186 PolarHBondContact O-N 3.13Å; E182-Y186 WeakPolarHBondContact OE1-CE2 3.17Å; H183-Y186 PolarHBondContact O-N 2.99Å; Y186-W190 PolarHBondContact O-N 3.07Å; Y186-W190 VanDerWaalsContact O-N 3.13Å
187Q93.7Very high89.3Confident49 Ų4948.8 Ų48.823%0.22923%0.225CC..Hα-helixtrans-67.7-43.5175.2-69.7173.9-6.500111.5H183 R184 L185 W190 L191 D215 P216H183-Q187 PolarHBondContact CE1-NE2 2.74Å; H183-Q187 VanDerWaalsContact CE1-NE2 3.26Å; H183-Q187 PolarHBondContact NE2-NE2 3.23Å; H183-Q187 WeakPolarHBondContact O-CG 3.39Å; H183-Q187 PolarHBondContact O-N 3.5Å; H183-Q187 VanDerWaalsContact O-N 3.12Å; R184-Q187 WeakPolarHBondContact O-CB 3.49Å; R184-Q187 PolarHBondContact O-N 3.22Å; L185-Q187 VanDerWaalsContact C-N 3.28Å; L185-Q187 PolarHBondContact O-N 3.01Å; Q187-W190 WeakPolarHBondContact O-CB 3.45Å; Q187-W190 PolarHBondContact O-N 3.14Å; Q187-L191 WeakPolarHBondContact O-CG 3.48Å; Q187-L191 PolarHBondContact O-N 2.95Å; Q187-D215 VanDerWaalsContact OE1-CB 3.27Å; Q187-P216 HydrophobicContact CB-CG 3.99Å
188A95.6Very high90.6Very high0 Ų049.6 Ų49.60%023%0.229CC..Hα-helixtrans-65.4-43.2177.200000112.2V141 R184 L185 W190 L191 L192 I202 F210 P216V141-A188 HydrophobicContact CG2-CB 4.25Å; R184-A188 PolarHBondContact O-N 2.94Å; L185-A188 PolarHBondContact O-N 3.48Å; A188-W190 PolarHBondContact O-N 3.49Å; A188-L191 WeakPolarHBondContact O-CA 3.3Å; A188-L191 VanDerWaalsContact O-CB 3.3Å; A188-L191 WeakPolarHBondContact O-CB 3.39Å; A188-L191 PolarHBondContact O-N 3.22Å; A188-L192 PolarHBondContact O-N 3.37Å; A188-I202 HydrophobicContact CB-CD1 4.35Å; A188-F210 HydrophobicContact CB-CE1 4.02Å; A188-F210 HydrophobicContact CB-CE2 4.04Å; A188-F210 HydrophobicContact CB-CZ 3.33Å; A188-P216 HydrophobicContact CB-CB 4.33Å; A188-P216 HydrophobicContact CB-CG 4.11Å
189D95Very high91.5Very high0 Ų048 Ų480%022%0.218CC..Hα-helixtrans-54.9-41172.6172.182.3000112.5Y148 Y158 L185 L191 L192 R193Y148-D189 WeakPolarHBondContact CE2-OD1 3.4Å; Y148-D189 PolarHBondContact OH-OD1 3.35Å; Y148-D189 PolarHBondContact OH-OD2 3.2Å; Y158-D189 HydrophobicContact CE2-CB 3.71Å; L185-D189 VanDerWaalsContact O-CB 3.28Å; L185-D189 WeakPolarHBondContact O-CB 3Å; L185-D189 PolarHBondContact O-N 3.37Å; D189-L191 VanDerWaalsContact C-N 3.28Å; D189-L191 PolarHBondContact O-N 3.12Å; D189-L192 PolarHBondContact O-N 2.83Å; D189-R193 PolarHBondContact O-N 3.46Å; D189-R193 VanDerWaalsContact O-N 3.08Å; D189-R193 IonicContact OD1-NE 3.6Å; D189-R193 IonicContact OD2-CZ 3.15Å; D189-R193 IonicContact OD2-NE 3.29Å; D189-R193 PolarHBondContact OD2-NE 3.27Å; D189-R193 IonicContact OD2-NH2 2.76Å; D189-R193 PolarHBondContact OD2-NH2 2.92Å
190W94.8Very high92.3Very high120 Ų12046.3 Ų46.346%0.45521%0.21SC..Hα-helixtrans-63.7-35174.7-167.9-81.6000112.3Y186 Q187 A188 F194 Y195Y186-W190 PolarHBondContact O-N 3.07Å; Y186-W190 VanDerWaalsContact O-N 3.13Å; Q187-W190 WeakPolarHBondContact O-CB 3.45Å; Q187-W190 PolarHBondContact O-N 3.14Å; A188-W190 PolarHBondContact O-N 3.49Å; W190-F194 AromaticContact CD2-CD2 3.5Å; W190-F194 HydrophobicContact CD2-CD2 3.5Å; W190-F194 AromaticContact CD2-CE2 3.76Å; W190-F194 HydrophobicContact CD2-CE2 3.76Å; W190-F194 AromaticContact CE2-CD2 3.36Å; W190-F194 AromaticContact CE2-CE2 3.78Å; W190-F194 AromaticContact CE3-CD2 3.93Å; W190-F194 HydrophobicContact CE3-CD2 3.93Å; W190-F194 AromaticContact CE3-CE2 3.66Å; W190-F194 HydrophobicContact CE3-CE2 3.66Å; W190-F194 AromaticContact CG-CD2 3.93Å; W190-F194 HydrophobicContact CG-CD2 3.93Å; W190-F194 HydrophobicContact CH2-CD2 4.07Å; W190-F194 AromaticContact CH2-CE2 3.64Å; W190-F194 HydrophobicContact CH2-CE2 3.64Å; W190-F194 HydrophobicContact CH2-CZ 4.29Å; W190-F194 AromaticContact CZ2-CD2 3.67Å; W190-F194 HydrophobicContact CZ2-CD2 3.67Å; W190-F194 AromaticContact CZ2-CE2 3.74Å; W190-F194 HydrophobicContact CZ2-CE2 3.74Å; W190-F194 HydrophobicContact CZ2-CG 4.37Å; W190-F194 HydrophobicContact CZ3-CD2 4.19Å; W190-F194 AromaticContact CZ3-CE2 3.6Å; W190-F194 HydrophobicContact CZ3-CE2 3.6Å; W190-F194 HydrophobicContact CZ3-CZ 4.46Å; W190-F194 AromaticContact NE1-CD2 3.68Å; W190-F194 PolarHBondContact O-N 3.42Å; W190-Y195 AromaticContact CD1-CD2 3.81Å; W190-Y195 AromaticContact CD1-CE2 3.46Å; W190-Y195 VanDerWaalsContact CD1-CE2 3.46Å; W190-Y195 AromaticContact NE1-CE2 3.57Å
191L96.8Very high93Very high9 Ų945 Ų455%0.04720%0.202CC..Hα-helixtrans-66.9-41.9175.1-60.3179.2000112.1Q187 A188 D189 Y195 K196 F197 I202 P216 K217Q187-L191 WeakPolarHBondContact O-CG 3.48Å; Q187-L191 PolarHBondContact O-N 2.95Å; A188-L191 WeakPolarHBondContact O-CA 3.3Å; A188-L191 VanDerWaalsContact O-CB 3.3Å; A188-L191 WeakPolarHBondContact O-CB 3.39Å; A188-L191 PolarHBondContact O-N 3.22Å; D189-L191 VanDerWaalsContact C-N 3.28Å; D189-L191 PolarHBondContact O-N 3.12Å; L191-Y195 HydrophobicContact CD2-CD1 4.44Å; L191-Y195 HydrophobicContact CD2-CD2 3.7Å; L191-Y195 HydrophobicContact CD2-CE2 4.18Å; L191-Y195 HydrophobicContact CD2-CG 3.82Å; L191-Y195 CarbonylContact O-C 3.51Å; L191-Y195 WeakPolarHBondContact O-CA 3.45Å; L191-Y195 WeakPolarHBondContact O-CB 3.27Å; L191-Y195 PolarHBondContact O-N 3.11Å; L191-K196 PolarHBondContact O-N 2.93Å; L191-K196 VanDerWaalsContact O-N 3.11Å; L191-F197 HydrophobicContact CB-CB 3.91Å; L191-F197 HydrophobicContact CB-CD2 3.86Å; L191-F197 HydrophobicContact CB-CG 3.94Å; L191-F197 HydrophobicContact CD1-CD2 4.49Å; L191-F197 HydrophobicContact CD1-CG 4.45Å; L191-F197 HydrophobicContact CD2-CD2 4.29Å; L191-F197 HydrophobicContact CD2-CE2 4.2Å; L191-F197 HydrophobicContact CG-CD2 4.43Å; L191-F197 PolarHBondContact O-N 3.39Å; L191-F197 VanDerWaalsContact O-N 3.15Å; L191-I202 HydrophobicContact CB-CD1 4.06Å; L191-I202 HydrophobicContact CD1-CD1 4.27Å; L191-I202 HydrophobicContact CD1-CG1 4.48Å; L191-P216 HydrophobicContact CD1-CB 3.94Å; L191-K217 HydrophobicContact CD1-CB 3.88Å; L191-K217 HydrophobicContact CD2-CB 3.95Å; L191-K217 HydrophobicContact CD2-CD 3.9Å; L191-K217 HydrophobicContact CD2-CG 4.28Å
192L95.1Very high93.5Very high21 Ų2143.2 Ų43.211%0.1120%0.196CC..Hα-helixtrans-57.7-50.9174.5-63.2-179.7000110.7V141 E145 A188 D189 F197 I202V141-L192 HydrophobicContact CG1-CD1 3.89Å; V141-L192 HydrophobicContact CG1-CD2 4.25Å; V141-L192 HydrophobicContact CG1-CG 4.35Å; E145-L192 HydrophobicContact CB-CD1 4.1Å; A188-L192 PolarHBondContact O-N 3.37Å; D189-L192 PolarHBondContact O-N 2.83Å; L192-F197 VanDerWaalsContact CD2-O 3.28Å; L192-F197 WeakPolarHBondContact CD2-O 3.32Å; L192-I202 HydrophobicContact CD2-CD1 3.96Å; L192-I202 HydrophobicContact CG-CD1 4.38Å
193R93.8Very high93.9Very high63 Ų6341.5 Ų41.524%0.23819%0.188CC..Hα-helixtrans-74.7-38.9-171.8-72.2-171.8-73127.87.6114.9Y148 D189Y148-R193 HydrophobicContact CD1-CG 4.38Å; Y148-R193 HydrophobicContact CD2-CG 4.36Å; Y148-R193 HydrophobicContact CE1-CG 4.01Å; Y148-R193 HydrophobicContact CE2-CG 3.96Å; Y148-R193 VanDerWaalsContact CZ-CD 3.46Å; Y148-R193 WeakPolarHBondContact OH-CD 3.3Å; Y148-R193 PolarHBondContact OH-NE 2.9Å; D189-R193 PolarHBondContact O-N 3.46Å; D189-R193 VanDerWaalsContact O-N 3.08Å; D189-R193 IonicContact OD1-NE 3.6Å; D189-R193 IonicContact OD2-CZ 3.15Å; D189-R193 IonicContact OD2-NE 3.29Å; D189-R193 PolarHBondContact OD2-NE 3.27Å; D189-R193 IonicContact OD2-NH2 2.76Å; D189-R193 PolarHBondContact OD2-NH2 2.92Å
194F93.7Very high94.2Very high92 Ų9238.7 Ų38.740%0.40418%0.179SC..Hα-helixtrans-119.8-19.8-168.6-58.9-69.1000114.7W190 P248W190-F194 AromaticContact CD2-CD2 3.5Å; W190-F194 HydrophobicContact CD2-CD2 3.5Å; W190-F194 AromaticContact CD2-CE2 3.76Å; W190-F194 HydrophobicContact CD2-CE2 3.76Å; W190-F194 AromaticContact CE2-CD2 3.36Å; W190-F194 AromaticContact CE2-CE2 3.78Å; W190-F194 AromaticContact CE3-CD2 3.93Å; W190-F194 HydrophobicContact CE3-CD2 3.93Å; W190-F194 AromaticContact CE3-CE2 3.66Å; W190-F194 HydrophobicContact CE3-CE2 3.66Å; W190-F194 AromaticContact CG-CD2 3.93Å; W190-F194 HydrophobicContact CG-CD2 3.93Å; W190-F194 HydrophobicContact CH2-CD2 4.07Å; W190-F194 AromaticContact CH2-CE2 3.64Å; W190-F194 HydrophobicContact CH2-CE2 3.64Å; W190-F194 HydrophobicContact CH2-CZ 4.29Å; W190-F194 AromaticContact CZ2-CD2 3.67Å; W190-F194 HydrophobicContact CZ2-CD2 3.67Å; W190-F194 AromaticContact CZ2-CE2 3.74Å; W190-F194 HydrophobicContact CZ2-CE2 3.74Å; W190-F194 HydrophobicContact CZ2-CG 4.37Å; W190-F194 HydrophobicContact CZ3-CD2 4.19Å; W190-F194 AromaticContact CZ3-CE2 3.6Å; W190-F194 HydrophobicContact CZ3-CE2 3.6Å; W190-F194 HydrophobicContact CZ3-CZ 4.46Å; W190-F194 AromaticContact NE1-CD2 3.68Å; W190-F194 PolarHBondContact O-N 3.42Å; F194-P248 HydrophobicContact CB-CG 4.44Å
195Y95.8Very high94.1Very high33 Ų3345.3 Ų45.313%0.12921%0.21CC..SBendtrans-105-1.7178.5-69.6-99.3000113.1W190 L191 F197 K217 L241 R242 I246 G247 P248W190-Y195 AromaticContact CD1-CD2 3.81Å; W190-Y195 AromaticContact CD1-CE2 3.46Å; W190-Y195 VanDerWaalsContact CD1-CE2 3.46Å; W190-Y195 AromaticContact NE1-CE2 3.57Å; L191-Y195 HydrophobicContact CD2-CD1 4.44Å; L191-Y195 HydrophobicContact CD2-CD2 3.7Å; L191-Y195 HydrophobicContact CD2-CE2 4.18Å; L191-Y195 HydrophobicContact CD2-CG 3.82Å; L191-Y195 CarbonylContact O-C 3.51Å; L191-Y195 WeakPolarHBondContact O-CA 3.45Å; L191-Y195 WeakPolarHBondContact O-CB 3.27Å; L191-Y195 PolarHBondContact O-N 3.11Å; Y195-F197 PolarHBondContact O-N 3.07Å; Y195-K217 HydrophobicContact CD1-CD 4.49Å; Y195-K217 HydrophobicContact CE1-CD 4.34Å; Y195-L241 HydrophobicContact CD1-CB 4.04Å; Y195-L241 HydrophobicContact CD1-CD2 3.76Å; Y195-L241 HydrophobicContact CD1-CG 4.41Å; Y195-L241 VanDerWaalsContact CD1-O 3.31Å; Y195-L241 WeakPolarHBondContact CD1-O 3.28Å; Y195-L241 HydrophobicContact CE1-CD2 4.1Å; Y195-R242 PolarHBondContact O-NH1 3.4Å; Y195-I246 WeakPolarHBondContact CE1-O 3.48Å; Y195-G247 VanDerWaalsContact OH-CA 3.29Å; Y195-G247 WeakPolarHBondContact OH-CA 3.15Å; Y195-P248 HydrophobicContact CE1-CG 4.42Å; Y195-P248 HydrophobicContact CE2-CG 4.42Å
196K92Very high93.8Very high122 Ų12250.4 Ų50.453%0.5324%0.237SC..  trans56.234.4-177.8-47.3176.2-173.3166.60112.7L191 D238 R242L191-K196 PolarHBondContact O-N 2.93Å; L191-K196 VanDerWaalsContact O-N 3.11Å; K196-D238 IonicContact NZ-OD1 3.33Å; K196-D238 PolarHBondContact NZ-OD1 3.46Å; K196-R242 PolarHBondContact O-NH2 3.44Å
197F96.2Very high93.4Very high5 Ų554.5 Ų54.52%0.02225%0.252CS..  trans-72.7153167.6-84.6-108.2000109.3L191 L192 Y195 E201 I202 K217 W220 R242L191-F197 HydrophobicContact CB-CB 3.91Å; L191-F197 HydrophobicContact CB-CD2 3.86Å; L191-F197 HydrophobicContact CB-CG 3.94Å; L191-F197 HydrophobicContact CD1-CD2 4.49Å; L191-F197 HydrophobicContact CD1-CG 4.45Å; L191-F197 HydrophobicContact CD2-CD2 4.29Å; L191-F197 HydrophobicContact CD2-CE2 4.2Å; L191-F197 HydrophobicContact CG-CD2 4.43Å; L191-F197 PolarHBondContact O-N 3.39Å; L191-F197 VanDerWaalsContact O-N 3.15Å; L192-F197 VanDerWaalsContact CD2-O 3.28Å; L192-F197 WeakPolarHBondContact CD2-O 3.32Å; Y195-F197 PolarHBondContact O-N 3.07Å; F197-E201 WeakPolarHBondContact CA-OE2 3.45Å; F197-E201 HydrophobicContact CD1-CB 4.4Å; F197-E201 HydrophobicContact CD1-CG 3.78Å; F197-E201 HydrophobicContact CE1-CG 4.2Å; F197-I202 HydrophobicContact CB-CD1 3.81Å; F197-I202 HydrophobicContact CB-CG1 3.82Å; F197-I202 HydrophobicContact CD1-CD1 4.45Å; F197-I202 HydrophobicContact CD1-CG1 3.64Å; F197-I202 HydrophobicContact CG-CD1 4.43Å; F197-I202 HydrophobicContact CG-CG1 4.09Å; F197-K217 HydrophobicContact CZ-CG 4.29Å; F197-W220 HydrophobicContact CE1-CB 4.5Å; F197-W220 AromaticContact CE1-CD2 3.86Å; F197-W220 HydrophobicContact CE1-CD2 3.86Å; F197-W220 HydrophobicContact CE1-CE3 4.3Å; F197-W220 AromaticContact CE1-CG 3.95Å; F197-W220 HydrophobicContact CE1-CG 3.95Å; F197-W220 HydrophobicContact CZ-CD2 4.42Å; F197-W220 HydrophobicContact CZ-CE3 4.41Å; F197-R242 HydrophobicContact CZ-CG 4.47Å
198T95.9Very high93.3Very high65 Ų6554.1 Ų54.140%0.39925%0.254SS..  trans-101.5159167.364.80000111.1E145 D200 E201 I202E145-T198 WeakPolarHBondContact OE1-CA 3.44Å; E145-T198 WeakPolarHBondContact OE1-CB 3.46Å; T198-D200 VanDerWaalsContact C-N 3.31Å; T198-D200 PolarHBondContact O-N 2.93Å; T198-E201 PolarHBondContact N-OE2 2.9Å; T198-E201 WeakPolarHBondContact O-CB 3.49Å; T198-E201 PolarHBondContact O-N 3.17Å; T198-E201 VanDerWaalsContact O-N 3.09Å; T198-E201 VanDerWaalsContact OG1-CB 3.25Å; T198-E201 WeakPolarHBondContact OG1-CB 3.29Å; T198-E201 PolarHBondContact OG1-N 3.49Å; T198-I202 WeakPolarHBondContact O-CG1 3.49Å; T198-I202 PolarHBondContact O-N 2.88Å; T198-I202 VanDerWaalsContact O-N 3.15Å
199A94.6Very high93Very high0 Ų058.3 Ų58.30%028%0.277CS..Hα-helixtrans-58.5-44.1179.200000112.3V141 K142 E145 E201 I202 L203V141-A199 HydrophobicContact CB-CB 4.41Å; V141-A199 HydrophobicContact CG1-CB 3.73Å; K142-A199 HydrophobicContact CB-CB 4.3Å; K142-A199 HydrophobicContact CG-CB 3.58Å; E145-A199 HydrophobicContact CB-CB 4.35Å; E145-A199 PolarHBondContact OE1-N 2.97Å; E145-A199 VanDerWaalsContact OE1-N 3.09Å; E145-A199 WeakPolarHBondContact OE2-CB 3.37Å; A199-E201 VanDerWaalsContact C-N 3.29Å; A199-E201 PolarHBondContact O-N 3.34Å; A199-I202 PolarHBondContact O-N 3.46Å; A199-L203 PolarHBondContact O-N 2.55Å
200D94.7Very high92.8Very high80 Ų8059 Ų5943%0.42828%0.28SS..Hα-helixtrans-73.2-16.4177.3-75.4-48.1000113.6R138 K142 T198 L203R138-D200 IonicContact CZ-OD1 2.94Å; R138-D200 IonicContact NE-OD1 3.49Å; R138-D200 PolarHBondContact NE-OD1 2.9Å; R138-D200 IonicContact NH2-OD1 2.88Å; R138-D200 PolarHBondContact NH2-OD1 3.29Å; K142-D200 WeakPolarHBondContact CE-OD1 3.36Å; K142-D200 WeakPolarHBondContact CE-OD2 3.32Å; K142-D200 IonicContact NZ-OD1 3.3Å; K142-D200 PolarHBondContact NZ-OD1 3.27Å; K142-D200 IonicContact NZ-OD2 3.04Å; K142-D200 PolarHBondContact NZ-OD2 3.21Å; T198-D200 VanDerWaalsContact C-N 3.31Å; T198-D200 PolarHBondContact O-N 2.93Å; D200-L203 WeakPolarHBondContact CA-O 3.41Å
201E94Very high92.3Very high47 Ų4755.6 Ų55.622%0.2227%0.27CS..Hα-helixtrans-74.7-39.9169.2-179.3178.9-167.500110.5F197 T198 A199 W220 R242F197-E201 WeakPolarHBondContact CA-OE2 3.45Å; F197-E201 HydrophobicContact CD1-CB 4.4Å; F197-E201 HydrophobicContact CD1-CG 3.78Å; F197-E201 HydrophobicContact CE1-CG 4.2Å; T198-E201 PolarHBondContact N-OE2 2.9Å; T198-E201 WeakPolarHBondContact O-CB 3.49Å; T198-E201 PolarHBondContact O-N 3.17Å; T198-E201 VanDerWaalsContact O-N 3.09Å; T198-E201 VanDerWaalsContact OG1-CB 3.25Å; T198-E201 WeakPolarHBondContact OG1-CB 3.29Å; T198-E201 PolarHBondContact OG1-N 3.49Å; A199-E201 VanDerWaalsContact C-N 3.29Å; A199-E201 PolarHBondContact O-N 3.34Å; E201-W220 HydrophobicContact CG-CZ2 4.27Å; E201-W220 PolarHBondContact O-NE1 2.98Å; E201-W220 WeakPolarHBondContact OE1-CZ2 3.34Å; E201-R242 IonicContact OE1-CZ 3.22Å; E201-R242 IonicContact OE1-NE 2.56Å; E201-R242 PolarHBondContact OE1-NE 3.18Å; E201-R242 IonicContact OE1-NH2 2.99Å; E201-R242 PolarHBondContact OE1-NH2 3.45Å; E201-R242 IonicContact OE2-CZ 3.88Å; E201-R242 IonicContact OE2-NE 3.5Å; E201-R242 IonicContact OE2-NH2 3.92Å; E201-R242 PolarHBondContact OE2-NH2 2.98Å
202I93.9Very high91.6Very high4 Ų458.3 Ų58.32%0.02128%0.284CS..Hα-helixtrans-77.5-42.6-175.8-57.9169.1000111.7V141 A188 L191 L192 F197 T198 A199 F210 P216V141-I202 HydrophobicContact CG1-CD1 4.45Å; A188-I202 HydrophobicContact CB-CD1 4.35Å; L191-I202 HydrophobicContact CB-CD1 4.06Å; L191-I202 HydrophobicContact CD1-CD1 4.27Å; L191-I202 HydrophobicContact CD1-CG1 4.48Å; L192-I202 HydrophobicContact CD2-CD1 3.96Å; L192-I202 HydrophobicContact CG-CD1 4.38Å; F197-I202 HydrophobicContact CB-CD1 3.81Å; F197-I202 HydrophobicContact CB-CG1 3.82Å; F197-I202 HydrophobicContact CD1-CD1 4.45Å; F197-I202 HydrophobicContact CD1-CG1 3.64Å; F197-I202 HydrophobicContact CG-CD1 4.43Å; F197-I202 HydrophobicContact CG-CG1 4.09Å; T198-I202 WeakPolarHBondContact O-CG1 3.49Å; T198-I202 PolarHBondContact O-N 2.88Å; T198-I202 VanDerWaalsContact O-N 3.15Å; A199-I202 PolarHBondContact O-N 3.46Å; I202-F210 HydrophobicContact CG2-CE1 3.58Å; I202-F210 HydrophobicContact CG2-CZ 4.11Å; I202-P216 HydrophobicContact CG2-CB 4.08Å
203L93.9Very high90.9Very high7 Ų760.7 Ų60.74%0.03729%0.292CS..  trans-135.2139.4-176.7-67.1172.2000110.9D137 R138 V141 A199 D200 F210D137-L203 HydrophobicContact CB-CD1 3.69Å; R138-L203 HydrophobicContact CB-CB 3.87Å; R138-L203 HydrophobicContact CB-CD1 4.1Å; R138-L203 HydrophobicContact CG-CB 4.14Å; R138-L203 VanDerWaalsContact N-CD1 3.32Å; V141-L203 HydrophobicContact CG2-CD1 4.42Å; A199-L203 PolarHBondContact O-N 2.55Å; D200-L203 WeakPolarHBondContact CA-O 3.41Å; L203-F210 HydrophobicContact CD1-CD1 4.23Å; L203-F210 HydrophobicContact CD1-CD2 4.35Å; L203-F210 HydrophobicContact CD1-CE1 3.74Å; L203-F210 HydrophobicContact CD1-CE2 3.88Å; L203-F210 HydrophobicContact CD1-CG 4.5Å; L203-F210 HydrophobicContact CD1-CZ 3.53Å; L203-F210 HydrophobicContact CD2-CD1 3.83Å; L203-F210 HydrophobicContact CD2-CE1 3.85Å; L203-F210 HydrophobicContact CD2-CG 4.46Å; L203-F210 HydrophobicContact CD2-CZ 4.49Å; L203-F210 HydrophobicContact CG-CD1 4.28Å; L203-F210 HydrophobicContact CG-CE1 3.79Å; L203-F210 HydrophobicContact CG-CZ 4.06Å
204S90.2Very high90.4Very high37 Ų3757.8 Ų57.826%0.25928%0.282SS..  trans-113.4172.9-177.559.30000111.9D206 R207 P208S204-D206 VanDerWaalsContact C-N 3.35Å; S204-D206 WeakPolarHBondContact CB-OD1 3.04Å; S204-D206 VanDerWaalsContact OG-CG 3.28Å; S204-D206 PolarHBondContact OG-OD1 3.45Å; S204-R207 CarbonylContact O-C 3.58Å; S204-R207 PolarHBondContact O-N 2.98Å; S204-P208 WeakPolarHBondContact O-CA 3.23Å
205E88Confident90.2Very high148 Ų14854.4 Ų54.469%0.69227%0.268SS*.SBendtrans-68.6-33.1179.9-74.9179.2-175.800113.2R138 R207R138-E205 VanDerWaalsContact CZ-CG 3.4Å; R138-E205 IonicContact CZ-OE1 2.65Å; R138-E205 VanDerWaalsContact NH1-CG 3.28Å; R138-E205 IonicContact NH1-OE1 3.86Å; R138-E205 PolarHBondContact NH1-OE1 2.81Å; R138-E205 IonicContact NH2-OE1 3.81Å; R138-E205 PolarHBondContact NH2-OE1 3.44Å; E205-R207 VanDerWaalsContact C-N 3.29Å
206D87.1Confident90.1Very high106 Ų10652.9 Ų52.957%0.56726%0.262SS*.SBendtrans-71.1-24.417359.6-62.2000112.8S204S204-D206 VanDerWaalsContact C-N 3.35Å; S204-D206 WeakPolarHBondContact CB-OD1 3.04Å; S204-D206 VanDerWaalsContact OG-CG 3.28Å; S204-D206 PolarHBondContact OG-OD1 3.45Å
207R87.4Confident90.3Very high136 Ų13647.7 Ų47.751%0.51324%0.239SC..  trans-136.573.9-177.2-67.1178.9-176.4107.1-11.6110.6S204 E205 N209S204-R207 CarbonylContact O-C 3.58Å; S204-R207 PolarHBondContact O-N 2.98Å; E205-R207 VanDerWaalsContact C-N 3.29Å; R207-N209 VanDerWaalsContact C-N 3.31Å; R207-N209 PolarHBondContact O-N 2.88Å
208P89.7Confident90.1Very high42 Ų4247.4 Ų47.427%0.27324%0.238SC..  trans-82.2-6.8-169.935-39.1000113.8D137 R138 S204D137-P208 PolarHBondContact N-O 3.47Å; R138-P208 HydrophobicContact CB-CB 4.19Å; R138-P208 WeakPolarHBondContact CB-O 3.48Å; R138-P208 PolarHBondContact N-O 3.39Å; S204-P208 WeakPolarHBondContact O-CA 3.23Å
209N90.9Very high89.9Confident88 Ų8844.9 Ų44.947%0.47122%0.222SC..SBendtrans-121.7149.9-176.8-63.3-40.5000111.7S136 D137 R207S136-N209 WeakPolarHBondContact CA-OD1 3.49Å; D137-N209 PolarHBondContact N-OD1 3Å; D137-N209 WeakPolarHBondContact OD2-CA 3.39Å; R207-N209 VanDerWaalsContact C-N 3.31Å; R207-N209 PolarHBondContact O-N 2.88Å
210F89.7Confident89.9Confident14 Ų1445.3 Ų45.36%0.06122%0.224CC..  trans-70.8145.7179.2-70.9-63000112.6D137 V141 R184 L185 A188 I202 L203 L212 P216D137-F210 HydrophobicContact CB-CD2 3.55Å; D137-F210 HydrophobicContact CB-CE2 3.67Å; D137-F210 HydrophobicContact CB-CG 4.41Å; D137-F210 WeakPolarHBondContact OD2-CD2 3.4Å; D137-F210 PolarHBondContact OD2-N 2.92Å; V141-F210 HydrophobicContact CG2-CE2 4.01Å; V141-F210 HydrophobicContact CG2-CZ 3.86Å; R184-F210 HydrophobicContact CB-CB 4.05Å; R184-F210 HydrophobicContact CB-CD2 3.9Å; R184-F210 HydrophobicContact CB-CG 3.98Å; R184-F210 HydrophobicContact CG-CB 4.29Å; L185-F210 HydrophobicContact CD2-CE2 3.93Å; L185-F210 HydrophobicContact CG-CE2 4.35Å; A188-F210 HydrophobicContact CB-CE1 4.02Å; A188-F210 HydrophobicContact CB-CE2 4.04Å; A188-F210 HydrophobicContact CB-CZ 3.33Å; I202-F210 HydrophobicContact CG2-CE1 3.58Å; I202-F210 HydrophobicContact CG2-CZ 4.11Å; L203-F210 HydrophobicContact CD1-CD1 4.23Å; L203-F210 HydrophobicContact CD1-CD2 4.35Å; L203-F210 HydrophobicContact CD1-CE1 3.74Å; L203-F210 HydrophobicContact CD1-CE2 3.88Å; L203-F210 HydrophobicContact CD1-CG 4.5Å; L203-F210 HydrophobicContact CD1-CZ 3.53Å; L203-F210 HydrophobicContact CD2-CD1 3.83Å; L203-F210 HydrophobicContact CD2-CE1 3.85Å; L203-F210 HydrophobicContact CD2-CG 4.46Å; L203-F210 HydrophobicContact CD2-CZ 4.49Å; L203-F210 HydrophobicContact CG-CD1 4.28Å; L203-F210 HydrophobicContact CG-CE1 3.79Å; L203-F210 HydrophobicContact CG-CZ 4.06Å; F210-L212 PolarHBondContact O-N 3.03Å; F210-P216 HydrophobicContact CD1-CB 4.14Å; F210-P216 HydrophobicContact CD1-CG 3.89Å; F210-P216 HydrophobicContact CE1-CB 3.74Å; F210-P216 HydrophobicContact CE1-CG 3.72Å; F210-P216 HydrophobicContact CZ-CG 4.32Å
211N84.1Confident89.9Confident48 Ų4841.5 Ų41.526%0.25720%0.204SC..  trans-66.2115.5157.9-176.2-23.5000108.7Y213 L214 N219N211-Y213 PolarHBondContact O-N 3.13Å; N211-Y213 WeakPolarHBondContact OD1-CB 3.43Å; N211-Y213 WeakPolarHBondContact OD1-CD2 3.04Å; N211-Y213 PolarHBondContact OD1-N 3.22Å; N211-L214 HydrophobicContact CB-CB 4.41Å; N211-L214 PolarHBondContact O-N 3.39Å; N211-L214 PolarHBondContact OD1-N 3.16Å; N211-N219 WeakPolarHBondContact CB-OD1 3.46Å
212L83.6Confident89.7Confident66 Ų6639.9 Ų39.935%0.34620%0.197SC..SBendtrans-66.6-23.1-177.5-62-179.5000113.1L180 R181 R184 F210L180-L212 HydrophobicContact CB-CB 4.44Å; L180-L212 HydrophobicContact CB-CD2 4.3Å; L180-L212 HydrophobicContact CD1-CB 4.47Å; R181-L212 HydrophobicContact CB-CD2 4.2Å; R184-L212 VanDerWaalsContact CZ-O 3.32Å; R184-L212 PolarHBondContact NE-O 3.46Å; R184-L212 PolarHBondContact NH2-O 3.31Å; F210-L212 PolarHBondContact O-N 3.03Å
213Y78.6Confident89.5Confident71 Ų7143.2 Ų43.228%0.27821%0.212SC..SBendtrans-88.6-25.8-175.3-53.6-70.3000113.2R184 N211 L312R184-Y213 PolarHBondContact NH2-O 2.88Å; N211-Y213 PolarHBondContact O-N 3.13Å; N211-Y213 WeakPolarHBondContact OD1-CB 3.43Å; N211-Y213 WeakPolarHBondContact OD1-CD2 3.04Å; N211-Y213 PolarHBondContact OD1-N 3.22Å; Y213-L312 HydrophobicContact CD1-CD1 3.69Å; Y213-L312 HydrophobicContact CD1-CD2 4.3Å; Y213-L312 HydrophobicContact CD1-CG 3.73Å; Y213-L312 HydrophobicContact CD2-CD1 4.32Å; Y213-L312 HydrophobicContact CD2-CD2 4.21Å; Y213-L312 HydrophobicContact CD2-CG 4.46Å; Y213-L312 HydrophobicContact CE1-CD1 4.08Å; Y213-L312 HydrophobicContact CE1-CD2 3.92Å; Y213-L312 HydrophobicContact CE1-CG 3.57Å; Y213-L312 HydrophobicContact CE2-CD2 3.81Å; Y213-L312 HydrophobicContact CE2-CG 4.31Å; Y213-L312 HydrophobicContact CG-CD1 3.82Å; Y213-L312 HydrophobicContact CG-CD2 4.43Å; Y213-L312 HydrophobicContact CG-CG 4.18Å
214L84Confident89.4Confident2 Ų244.2 Ų44.21%0.0122%0.218CC..SBendtrans-112.8144.3-177.4-166.458.4000111.1R184 N211 A218 N219 V222 I300 L303R184-L214 VanDerWaalsContact CZ-C 3.45Å; R184-L214 VanDerWaalsContact CZ-O 3.23Å; R184-L214 PolarHBondContact NE-O 3.36Å; R184-L214 PolarHBondContact NH1-O 3.25Å; N211-L214 HydrophobicContact CB-CB 4.41Å; N211-L214 PolarHBondContact O-N 3.39Å; N211-L214 PolarHBondContact OD1-N 3.16Å; L214-A218 HydrophobicContact CD1-CB 3.63Å; L214-A218 HydrophobicContact CD2-CB 4.24Å; L214-A218 HydrophobicContact CG-CB 3.79Å; L214-N219 HydrophobicContact CB-CB 4.32Å; L214-N219 VanDerWaalsContact CD2-CA 3.45Å; L214-N219 HydrophobicContact CD2-CB 3.9Å; L214-N219 HydrophobicContact CG-CB 4.09Å; L214-V222 HydrophobicContact CD2-CG2 4.38Å; L214-I300 HydrophobicContact CD2-CG1 4.17Å; L214-L303 HydrophobicContact CD1-CB 3.76Å; L214-L303 HydrophobicContact CD1-CD1 4.32Å
215D89.8Confident89.4Confident21 Ų2144.2 Ų44.211%0.11221%0.212CC..  trans-70.1148.5174.461.7100.9000111.9R184 Q187 K217 A218 N219 R277R184-D215 VanDerWaalsContact NH1-N 3.18Å; Q187-D215 VanDerWaalsContact OE1-CB 3.27Å; D215-K217 PolarHBondContact O-N 2.98Å; D215-K217 VanDerWaalsContact O-N 3.08Å; D215-A218 PolarHBondContact O-N 3.33Å; D215-A218 VanDerWaalsContact O-N 3.09Å; D215-A218 WeakPolarHBondContact OD1-CB 3.4Å; D215-A218 PolarHBondContact OD1-N 2.78Å; D215-A218 VanDerWaalsContact OD2-CB 3.26Å; D215-A218 WeakPolarHBondContact OD2-CB 3.22Å; D215-N219 WeakPolarHBondContact O-CB 3.4Å; D215-N219 PolarHBondContact O-N 3.38Å; D215-R277 IonicContact OD1-NH2 3.07Å; D215-R277 PolarHBondContact OD1-NH2 3.37Å; D215-R277 IonicContact OD2-CZ 2.64Å; D215-R277 IonicContact OD2-NH1 3.88Å; D215-R277 PolarHBondContact OD2-NH1 3.23Å; D215-R277 IonicContact OD2-NH2 3.93Å; D215-R277 PolarHBondContact OD2-NH2 2.62Å
216P94Very high89.6Confident2 Ų244 Ų441%0.01321%0.212CC..Hα-helixtrans-52.9-36.5-174.5-30.736.7000114.1Q187 A188 L191 I202 F210 W220Q187-P216 HydrophobicContact CB-CG 3.99Å; A188-P216 HydrophobicContact CB-CB 4.33Å; A188-P216 HydrophobicContact CB-CG 4.11Å; L191-P216 HydrophobicContact CD1-CB 3.94Å; I202-P216 HydrophobicContact CG2-CB 4.08Å; F210-P216 HydrophobicContact CD1-CB 4.14Å; F210-P216 HydrophobicContact CD1-CG 3.89Å; F210-P216 HydrophobicContact CE1-CB 3.74Å; F210-P216 HydrophobicContact CE1-CG 3.72Å; F210-P216 HydrophobicContact CZ-CG 4.32Å; P216-W220 VanDerWaalsContact O-CB 3.25Å; P216-W220 WeakPolarHBondContact O-CB 3.24Å; P216-W220 PolarHBondContact O-N 3.42Å
217K95.5Very high89.8Confident12 Ų1246.1 Ų46.15%0.05221%0.212CC..Hα-helixtrans-72.1-45-179.8-174172.3169.1177.90112.3L191 Y195 F197 D215 A221 L241 R242 V243 I246L191-K217 HydrophobicContact CD1-CB 3.88Å; L191-K217 HydrophobicContact CD2-CB 3.95Å; L191-K217 HydrophobicContact CD2-CD 3.9Å; L191-K217 HydrophobicContact CD2-CG 4.28Å; Y195-K217 HydrophobicContact CD1-CD 4.49Å; Y195-K217 HydrophobicContact CE1-CD 4.34Å; F197-K217 HydrophobicContact CZ-CG 4.29Å; D215-K217 PolarHBondContact O-N 2.98Å; D215-K217 VanDerWaalsContact O-N 3.08Å; K217-A221 WeakPolarHBondContact O-CB 3.4Å; K217-A221 PolarHBondContact O-N 3.12Å; K217-L241 WeakPolarHBondContact CE-O 3.47Å; K217-L241 PolarHBondContact NZ-O 2.92Å; K217-R242 WeakPolarHBondContact CE-O 3.37Å; K217-V243 VanDerWaalsContact CE-C 3.4Å; K217-V243 WeakPolarHBondContact CE-O 3.45Å; K217-V243 PolarHBondContact NZ-O 3.1Å; K217-I246 PolarHBondContact NZ-O 2.82Å
218A92.7Very high90.1Very high0 Ų040.6 Ų40.60%019%0.191CC..Hα-helixtrans-64.5-42.1173.400000111.7L214 D215 W220 A221 V222 P244 L303L214-A218 HydrophobicContact CD1-CB 3.63Å; L214-A218 HydrophobicContact CD2-CB 4.24Å; L214-A218 HydrophobicContact CG-CB 3.79Å; D215-A218 PolarHBondContact O-N 3.33Å; D215-A218 VanDerWaalsContact O-N 3.09Å; D215-A218 WeakPolarHBondContact OD1-CB 3.4Å; D215-A218 PolarHBondContact OD1-N 2.78Å; D215-A218 VanDerWaalsContact OD2-CB 3.26Å; D215-A218 WeakPolarHBondContact OD2-CB 3.22Å; A218-W220 PolarHBondContact O-N 2.86Å; A218-A221 PolarHBondContact O-N 2.89Å; A218-A221 VanDerWaalsContact O-N 3.14Å; A218-V222 WeakPolarHBondContact O-CG2 3.37Å; A218-V222 PolarHBondContact O-N 3.22Å; A218-P244 HydrophobicContact CB-CB 4.49Å; A218-P244 HydrophobicContact CB-CG 4.36Å; A218-L303 HydrophobicContact CB-CD1 4.03Å
219N91.9Very high90.2Very high12 Ų1241.5 Ų41.56%0.06420%0.197CC..Hα-helixtrans-59.1-48177-173.571.5000111.2N211 L214 D215 A221 V222 Q223N211-N219 WeakPolarHBondContact CB-OD1 3.46Å; L214-N219 HydrophobicContact CB-CB 4.32Å; L214-N219 VanDerWaalsContact CD2-CA 3.45Å; L214-N219 HydrophobicContact CD2-CB 3.9Å; L214-N219 HydrophobicContact CG-CB 4.09Å; D215-N219 WeakPolarHBondContact O-CB 3.4Å; D215-N219 PolarHBondContact O-N 3.38Å; N219-A221 VanDerWaalsContact C-N 3.31Å; N219-A221 PolarHBondContact O-N 3.25Å; N219-V222 PolarHBondContact O-N 3.07Å; N219-Q223 PolarHBondContact ND2-NE2 3.45Å; N219-Q223 VanDerWaalsContact ND2-NE2 3.11Å; N219-Q223 WeakPolarHBondContact O-CB 3.33Å; N219-Q223 VanDerWaalsContact O-CG 3.26Å; N219-Q223 WeakPolarHBondContact O-CG 3.31Å; N219-Q223 PolarHBondContact O-N 3.16Å
220W93.6Very high90.4Very high9 Ų938 Ų383%0.03418%0.179CC..Hα-helixtrans-57.4-44173.5179.687.1000112.5F197 E201 P216 A218 Q223 N224 F228 R242F197-W220 HydrophobicContact CE1-CB 4.5Å; F197-W220 AromaticContact CE1-CD2 3.86Å; F197-W220 HydrophobicContact CE1-CD2 3.86Å; F197-W220 HydrophobicContact CE1-CE3 4.3Å; F197-W220 AromaticContact CE1-CG 3.95Å; F197-W220 HydrophobicContact CE1-CG 3.95Å; F197-W220 HydrophobicContact CZ-CD2 4.42Å; F197-W220 HydrophobicContact CZ-CE3 4.41Å; E201-W220 HydrophobicContact CG-CZ2 4.27Å; E201-W220 PolarHBondContact O-NE1 2.98Å; E201-W220 WeakPolarHBondContact OE1-CZ2 3.34Å; P216-W220 VanDerWaalsContact O-CB 3.25Å; P216-W220 WeakPolarHBondContact O-CB 3.24Å; P216-W220 PolarHBondContact O-N 3.42Å; A218-W220 PolarHBondContact O-N 2.86Å; W220-Q223 PolarHBondContact O-N 3.46Å; W220-N224 HydrophobicContact CH2-CB 4.48Å; W220-N224 HydrophobicContact CZ2-CB 4.44Å; W220-N224 PolarHBondContact NE1-ND2 3.43Å; W220-N224 WeakPolarHBondContact O-CB 3.29Å; W220-N224 PolarHBondContact O-N 2.89Å; W220-N224 PolarHBondContact O-ND2 3.25Å; W220-F228 HydrophobicContact CZ3-CE2 4.11Å; W220-F228 AromaticContact CZ3-CZ 3.89Å; W220-F228 HydrophobicContact CZ3-CZ 3.89Å; W220-R242 HydrophobicContact CE3-CB 4.37Å; W220-R242 HydrophobicContact CH2-CB 3.76Å; W220-R242 HydrophobicContact CH2-CG 3.84Å; W220-R242 HydrophobicContact CZ3-CB 3.51Å; W220-R242 HydrophobicContact CZ3-CG 4.08Å
221A94.2Very high90.6Very high0 Ų038.2 Ų38.20%018%0.18CC..Hα-helixtrans-67.4-38.9-177.100000112.7K217 A218 N219 N224 Y225 F228 P244 F281K217-A221 WeakPolarHBondContact O-CB 3.4Å; K217-A221 PolarHBondContact O-N 3.12Å; A218-A221 PolarHBondContact O-N 2.89Å; A218-A221 VanDerWaalsContact O-N 3.14Å; N219-A221 VanDerWaalsContact C-N 3.31Å; N219-A221 PolarHBondContact O-N 3.25Å; A221-N224 CarbonylContact O-C 3.55Å; A221-N224 PolarHBondContact O-N 3.49Å; A221-Y225 WeakPolarHBondContact O-CA 3.47Å; A221-Y225 PolarHBondContact O-N 2.81Å; A221-F228 HydrophobicContact CB-CE2 3.7Å; A221-F228 HydrophobicContact CB-CZ 3.7Å; A221-F228 VanDerWaalsContact O-CE2 3.29Å; A221-F228 WeakPolarHBondContact O-CE2 3.29Å; A221-P244 HydrophobicContact CB-CG 3.49Å; A221-P244 VanDerWaalsContact CB-CG 3.49Å; A221-F281 HydrophobicContact CB-CD1 3.97Å; A221-F281 HydrophobicContact CB-CE1 3.62Å; A221-F281 HydrophobicContact CB-CZ 3.98Å
222V91.1Very high91.2Very high12 Ų1235.9 Ų35.97%0.07317%0.168CC..Hα-helixtrans-67.1-42.71741750000110.9L214 A218 N219 N224 Y225 F281 P296 I299 I300 L303L214-V222 HydrophobicContact CD2-CG2 4.38Å; A218-V222 WeakPolarHBondContact O-CG2 3.37Å; A218-V222 PolarHBondContact O-N 3.22Å; N219-V222 PolarHBondContact O-N 3.07Å; V222-N224 PolarHBondContact O-N 3.18Å; V222-Y225 WeakPolarHBondContact O-CB 3.35Å; V222-Y225 PolarHBondContact O-N 2.89Å; V222-F281 HydrophobicContact CG2-CE1 4.35Å; V222-F281 HydrophobicContact CG2-CZ 3.96Å; V222-P296 HydrophobicContact CG1-CB 3.83Å; V222-I299 HydrophobicContact CG2-CG2 3.84Å; V222-I300 HydrophobicContact CG1-CD1 3.96Å; V222-I300 HydrophobicContact CG1-CG1 3.86Å; V222-I300 HydrophobicContact CG2-CG1 4.26Å; V222-L303 HydrophobicContact CG2-CD1 4.32Å
223Q89Confident91.7Very high75 Ų7534.6 Ų34.635%0.3516%0.16SC..Hα-helixtrans-66-27.2177.6-72.3176.3-10.200112.9N219 W220N219-Q223 PolarHBondContact ND2-NE2 3.45Å; N219-Q223 VanDerWaalsContact ND2-NE2 3.11Å; N219-Q223 WeakPolarHBondContact O-CB 3.33Å; N219-Q223 VanDerWaalsContact O-CG 3.26Å; N219-Q223 WeakPolarHBondContact O-CG 3.31Å; N219-Q223 PolarHBondContact O-N 3.16Å; W220-Q223 PolarHBondContact O-N 3.46Å
224N91.6Very high92.4Very high28 Ų2836.4 Ų36.415%0.1518%0.179CC..THydrogen-bonded Turntrans-107.834.5177.4-67-90.9000111.7W220 A221 V222 Q226 R227 F228W220-N224 HydrophobicContact CH2-CB 4.48Å; W220-N224 HydrophobicContact CZ2-CB 4.44Å; W220-N224 PolarHBondContact NE1-ND2 3.43Å; W220-N224 WeakPolarHBondContact O-CB 3.29Å; W220-N224 PolarHBondContact O-N 2.89Å; W220-N224 PolarHBondContact O-ND2 3.25Å; A221-N224 CarbonylContact O-C 3.55Å; A221-N224 PolarHBondContact O-N 3.49Å; V222-N224 PolarHBondContact O-N 3.18Å; N224-Q226 PolarHBondContact O-N 3.26Å; N224-Q226 VanDerWaalsContact O-N 3.08Å; N224-Q226 PolarHBondContact O-OE1 2.94Å; N224-R227 HydrophobicContact CB-CG 4.41Å; N224-R227 WeakPolarHBondContact O-CB 3.32Å; N224-R227 PolarHBondContact O-N 3.43Å; N224-F228 WeakPolarHBondContact O-CD2 3.21Å
225Y91.1Very high92.9Very high37 Ų3736.7 Ų36.715%0.14518%0.181CC..G310 helixtrans-57.6-27.1-173.8-164-110.7000113.7A221 V222 R227 F228 Y280 F281 K294 I299A221-Y225 WeakPolarHBondContact O-CA 3.47Å; A221-Y225 PolarHBondContact O-N 2.81Å; V222-Y225 WeakPolarHBondContact O-CB 3.35Å; V222-Y225 PolarHBondContact O-N 2.89Å; Y225-R227 PolarHBondContact O-N 3.34Å; Y225-F228 HydrophobicContact CD2-CB 4.37Å; Y225-F228 HydrophobicContact CE2-CB 4.43Å; Y225-F228 WeakPolarHBondContact O-CB 3.41Å; Y225-F228 PolarHBondContact O-N 3.05Å; Y225-Y280 PolarHBondContact OH-O 3.48Å; Y225-F281 HydrophobicContact CD2-CD1 4.25Å; Y225-F281 HydrophobicContact CD2-CE1 4.01Å; Y225-F281 HydrophobicContact CE2-CD1 4.24Å; Y225-F281 HydrophobicContact CE2-CE1 4.2Å; Y225-K294 HydrophobicContact CE1-CB 4.39Å; Y225-K294 WeakPolarHBondContact OH-CB 3.45Å; Y225-I299 HydrophobicContact CD2-CD1 4.06Å; Y225-I299 HydrophobicContact CE2-CD1 3.39Å
226Q91.8Very high93.2Very high144 Ų14438.4 Ų38.467%0.67320%0.195SC*.G310 helixtrans-58.4-18.5173.873.4-78.111.700114.3N224 F228N224-Q226 PolarHBondContact O-N 3.26Å; N224-Q226 VanDerWaalsContact O-N 3.08Å; N224-Q226 PolarHBondContact O-OE1 2.94Å; Q226-F228 VanDerWaalsContact C-N 3.31Å
227R92.5Very high93.4Very high150 Ų15041.2 Ų41.257%0.56621%0.206SC*.G310 helixtrans-86.8-3.2175.9-57.3-173.8-174.3-163.81.5112.9N224 Y225N224-R227 HydrophobicContact CB-CG 4.41Å; N224-R227 WeakPolarHBondContact O-CB 3.32Å; N224-R227 PolarHBondContact O-N 3.43Å; Y225-R227 PolarHBondContact O-N 3.34Å
228F92.3Very high93.4Very high19 Ų1944 Ų448%0.08322%0.221CC..  trans-117153.5-175.4-62.5-77.5000110.8W220 A221 N224 Y225 Q226 V230 V243 F281W220-F228 HydrophobicContact CZ3-CE2 4.11Å; W220-F228 AromaticContact CZ3-CZ 3.89Å; W220-F228 HydrophobicContact CZ3-CZ 3.89Å; A221-F228 HydrophobicContact CB-CE2 3.7Å; A221-F228 HydrophobicContact CB-CZ 3.7Å; A221-F228 VanDerWaalsContact O-CE2 3.29Å; A221-F228 WeakPolarHBondContact O-CE2 3.29Å; N224-F228 WeakPolarHBondContact O-CD2 3.21Å; Y225-F228 HydrophobicContact CD2-CB 4.37Å; Y225-F228 HydrophobicContact CE2-CB 4.43Å; Y225-F228 WeakPolarHBondContact O-CB 3.41Å; Y225-F228 PolarHBondContact O-N 3.05Å; Q226-F228 VanDerWaalsContact C-N 3.31Å; F228-V230 HydrophobicContact CD1-CB 4.34Å; F228-V230 HydrophobicContact CD1-CG2 3.62Å; F228-V230 HydrophobicContact CE1-CG2 3.81Å; F228-V243 HydrophobicContact CE1-CG2 4.07Å; F228-F281 HydrophobicContact CB-CD1 4.25Å; F228-F281 HydrophobicContact CD1-CB 3.54Å; F228-F281 AromaticContact CD1-CD1 3.94Å; F228-F281 HydrophobicContact CD1-CD1 3.94Å; F228-F281 HydrophobicContact CD1-CG 4.19Å; F228-F281 VanDerWaalsContact CD1-O 3.22Å; F228-F281 WeakPolarHBondContact CD1-O 3.39Å; F228-F281 AromaticContact CD2-CD1 3.81Å; F228-F281 HydrophobicContact CD2-CD1 3.81Å; F228-F281 HydrophobicContact CD2-CE1 4.48Å; F228-F281 HydrophobicContact CE1-CB 3.79Å; F228-F281 HydrophobicContact CE1-CD1 4.14Å; F228-F281 HydrophobicContact CE1-CG 4.3Å; F228-F281 HydrophobicContact CE2-CD1 4.04Å; F228-F281 HydrophobicContact CG-CB 4.1Å; F228-F281 AromaticContact CG-CD1 3.72Å; F228-F281 HydrophobicContact CG-CD1 3.72Å; F228-F281 HydrophobicContact CG-CG 4.4Å; F228-F281 HydrophobicContact CZ-CD1 4.15Å
229P93.1Very high93.5Very high61 Ų6148.8 Ų48.840%0.39624%0.244SC..SBendcis-75.41432.631.7-35.2000113F281 A283 T288P229-F281 WeakPolarHBondContact CA-O 3.46Å; P229-A283 HydrophobicContact CB-CB 4.09Å; P229-A283 HydrophobicContact CG-CB 4.28Å; P229-T288 HydrophobicContact CB-CG2 4.15Å; P229-T288 HydrophobicContact CG-CG2 3.88Å
230V94Very high93.8Very high15 Ų1548.2 Ų48.29%0.09124%0.241CC..EExtended strand (participates in β ladder)trans-85116.9171171.30000107.3F228 V232 A235 Q239 V243 F281 I282 A283F228-V230 HydrophobicContact CD1-CB 4.34Å; F228-V230 HydrophobicContact CD1-CG2 3.62Å; F228-V230 HydrophobicContact CE1-CG2 3.81Å; V230-V232 PolarHBondContact O-N 3.25Å; V230-A235 HydrophobicContact CG1-CB 3.27Å; V230-Q239 HydrophobicContact CG1-CB 4.38Å; V230-V243 HydrophobicContact CB-CG2 4.03Å; V230-V243 HydrophobicContact CG1-CG2 4.26Å; V230-V243 HydrophobicContact CG2-CG2 4.29Å; V230-F281 PolarHBondContact N-O 3.48Å; V230-I282 WeakPolarHBondContact O-CA 3.31Å; V230-A283 PolarHBondContact O-N 2.93Å
231D95.1Very high93.9Very high18 Ų1847.9 Ų47.910%0.09624%0.239CC..EExtended strand (participates in β ladder)trans-65113.2172.1-169-28.4000108Q233 A235 A283 C284 N285 H286D231-Q233 WeakPolarHBondContact OD1-CB 3.18Å; D231-Q233 PolarHBondContact OD1-N 2.99Å; D231-A235 WeakPolarHBondContact O-CB 3.22Å; D231-A235 PolarHBondContact O-N 2.97Å; D231-A283 CarbonylContact C-O 3.57Å; D231-A283 WeakPolarHBondContact CA-O 3.23Å; D231-A283 HydrophobicContact CB-CB 4.41Å; D231-C284 WeakPolarHBondContact OD1-CA 3.39Å; D231-N285 PolarHBondContact OD1-N 3.25Å; D231-N285 WeakPolarHBondContact OD2-CA 3.24Å; D231-N285 PolarHBondContact OD2-N 2.93Å; D231-H286 IonicContact OD2-CE1 3.88Å; D231-H286 IonicContact OD2-CG 3.91Å; D231-H286 PolarHBondContact OD2-N 2.89Å; D231-H286 IonicContact OD2-ND1 3.74Å
232V95.1Very high94.1Very high0 Ų049.3 Ų49.30%025%0.245CC..THydrogen-bonded Turntrans-52.4-70174.5-179.90000104.8V230 T234 A235 L240 I254 R258 L263 L268 I282 A283V230-V232 PolarHBondContact O-N 3.25Å; V232-T234 PolarHBondContact O-N 2.88Å; V232-A235 PolarHBondContact O-N 3.44Å; V232-L240 HydrophobicContact CG1-CD2 4.38Å; V232-I254 HydrophobicContact CG1-CD1 4.4Å; V232-I254 HydrophobicContact CG1-CG2 3.79Å; V232-R258 VanDerWaalsContact CA-NH2 3.3Å; V232-R258 PolarHBondContact O-NE 3.44Å; V232-R258 PolarHBondContact O-NH1 3.46Å; V232-R258 PolarHBondContact O-NH2 2.87Å; V232-L263 HydrophobicContact CG1-CD1 4.03Å; V232-L268 HydrophobicContact CB-CD2 4.48Å; V232-L268 HydrophobicContact CG1-CD2 3.89Å; V232-I282 HydrophobicContact CG2-CB 3.86Å; V232-I282 HydrophobicContact CG2-CG2 3.93Å; V232-A283 WeakPolarHBondContact CB-O 3.43Å; V232-A283 WeakPolarHBondContact CG2-O 3.35Å; V232-A283 PolarHBondContact N-O 2.95Å
233Q94Very high94.3Very high39 Ų3948.7 Ų48.718%0.18224%0.241CC..THydrogen-bonded Turntrans-36.3-41.2-171.4-172.962.617.500117D231 R258 N285D231-Q233 WeakPolarHBondContact OD1-CB 3.18Å; D231-Q233 PolarHBondContact OD1-N 2.99Å; Q233-R258 WeakPolarHBondContact O-CD 3.35Å; Q233-R258 PolarHBondContact O-NE 3.2Å; Q233-R258 PolarHBondContact O-NH1 2.75Å; Q233-N285 WeakPolarHBondContact CG-OD1 3.4Å
234T94Very high94.6Very high109 Ų10945.1 Ų45.167%0.66923%0.225SC*.THydrogen-bonded Turntrans-104.8-19.6-177.654.90000115.6V232V232-T234 PolarHBondContact O-N 2.88Å
235A95.4Very high94.7Very high7 Ų744.6 Ų44.66%0.05823%0.226CC..  trans-61.3143.8-173.100000114.1V230 D231 V232 Q239 L240 R258V230-A235 HydrophobicContact CG1-CB 3.27Å; D231-A235 WeakPolarHBondContact O-CB 3.22Å; D231-A235 PolarHBondContact O-N 2.97Å; V232-A235 PolarHBondContact O-N 3.44Å; A235-Q239 HydrophobicContact CB-CB 4.16Å; A235-L240 HydrophobicContact CB-CD2 4.08Å; A235-L240 HydrophobicContact CB-CG 4.16Å; A235-R258 PolarHBondContact O-NH1 3.44Å
236S96.2Very high94.9Very high57 Ų5742.9 Ų42.940%0.39922%0.219SC..  trans-66.4159.8176.479.40000111.8D238 Q239 L240S236-D238 VanDerWaalsContact C-N 3.27Å; S236-D238 PolarHBondContact O-N 3.03Å; S236-Q239 PolarHBondContact O-N 3.47Å; S236-Q239 WeakPolarHBondContact OG-CG 3.48Å; S236-Q239 PolarHBondContact OG-N 3.39Å; S236-L240 VanDerWaalsContact O-CG 3.32Å; S236-L240 WeakPolarHBondContact O-CG 3.39Å; S236-L240 PolarHBondContact O-N 2.69Å
237Y96.8Very high95.1Very high61 Ų6136.6 Ų36.624%0.23919%0.193CC..Hα-helixtrans-54.5-44.5176.8178.9-101.1000112.2L240 L241 A251 Q252 V255Y237-L240 WeakPolarHBondContact O-CB 3.31Å; Y237-L240 PolarHBondContact O-N 3.45Å; Y237-L241 HydrophobicContact CD1-CD1 3.99Å; Y237-L241 HydrophobicContact CD1-CG 4.4Å; Y237-L241 HydrophobicContact CE1-CD1 3.43Å; Y237-L241 VanDerWaalsContact CE1-CD1 3.43Å; Y237-L241 HydrophobicContact CE1-CD2 4.48Å; Y237-L241 HydrophobicContact CE1-CG 4.02Å; Y237-L241 WeakPolarHBondContact O-CG 3.42Å; Y237-L241 PolarHBondContact O-N 3.24Å; Y237-L241 VanDerWaalsContact O-N 3.09Å; Y237-A251 HydrophobicContact CD2-CB 3.81Å; Y237-A251 HydrophobicContact CE2-CB 3.51Å; Y237-Q252 HydrophobicContact CE2-CG 3.69Å; Y237-V255 HydrophobicContact CD2-CG2 4.27Å
238D95.5Very high95.2Very high70 Ų7031 Ų3137%0.37418%0.176SC..Hα-helixtrans-70.5-34.6-178.4-59-55.2000112.1K196 S236 L241 R242K196-D238 IonicContact NZ-OD1 3.33Å; K196-D238 PolarHBondContact NZ-OD1 3.46Å; S236-D238 VanDerWaalsContact C-N 3.27Å; S236-D238 PolarHBondContact O-N 3.03Å; D238-L241 WeakPolarHBondContact O-CB 3.23Å; D238-L241 PolarHBondContact O-N 3.11Å; D238-R242 WeakPolarHBondContact O-CG 3.45Å; D238-R242 PolarHBondContact O-NH1 3.42Å
239Q96Very high95.4Very high102 Ų10237.6 Ų37.648%0.47721%0.205SC..Hα-helixtrans-63-42.6171.2-75.8175.9-42.500111.8V230 A235 S236 L241 R242V230-Q239 HydrophobicContact CG1-CB 4.38Å; A235-Q239 HydrophobicContact CB-CB 4.16Å; S236-Q239 PolarHBondContact O-N 3.47Å; S236-Q239 WeakPolarHBondContact OG-CG 3.48Å; S236-Q239 PolarHBondContact OG-N 3.39Å; Q239-L241 VanDerWaalsContact C-N 3.27Å; Q239-L241 PolarHBondContact O-N 3.31Å; Q239-R242 WeakPolarHBondContact O-CB 3.28Å; Q239-R242 PolarHBondContact O-N 2.89Å
240L97Very high95.5Very high0 Ų035.4 Ų35.40%019%0.191CC..Hα-helixtrans-62-35.9176.6-67.9167.9000112.1V232 A235 S236 Y237 R242 V243 I246 A251 I254 V255 R258V232-L240 HydrophobicContact CG1-CD2 4.38Å; A235-L240 HydrophobicContact CB-CD2 4.08Å; A235-L240 HydrophobicContact CB-CG 4.16Å; S236-L240 VanDerWaalsContact O-CG 3.32Å; S236-L240 WeakPolarHBondContact O-CG 3.39Å; S236-L240 PolarHBondContact O-N 2.69Å; Y237-L240 WeakPolarHBondContact O-CB 3.31Å; Y237-L240 PolarHBondContact O-N 3.45Å; L240-R242 PolarHBondContact O-N 2.97Å; L240-V243 PolarHBondContact O-N 3.25Å; L240-I246 HydrophobicContact CB-CG2 4.35Å; L240-I246 HydrophobicContact CD2-CD1 4.1Å; L240-A251 HydrophobicContact CB-CB 4.02Å; L240-I254 HydrophobicContact CD1-CB 4.42Å; L240-I254 HydrophobicContact CD1-CG2 3.78Å; L240-I254 HydrophobicContact CD2-CG2 4.46Å; L240-V255 HydrophobicContact CD1-CG2 4.06Å; L240-R258 VanDerWaalsContact CD2-NH2 3.32Å
241L96.8Very high95.6Very high1 Ų134.7 Ų34.71%0.00519%0.186CC..THydrogen-bonded Turntrans-64.3-15.7174.5-71.6-178000113.3Y195 K217 Y237 D238 Q239 P248 A251Y195-L241 HydrophobicContact CD1-CB 4.04Å; Y195-L241 HydrophobicContact CD1-CD2 3.76Å; Y195-L241 HydrophobicContact CD1-CG 4.41Å; Y195-L241 VanDerWaalsContact CD1-O 3.31Å; Y195-L241 WeakPolarHBondContact CD1-O 3.28Å; Y195-L241 HydrophobicContact CE1-CD2 4.1Å; K217-L241 WeakPolarHBondContact CE-O 3.47Å; K217-L241 PolarHBondContact NZ-O 2.92Å; Y237-L241 HydrophobicContact CD1-CD1 3.99Å; Y237-L241 HydrophobicContact CD1-CG 4.4Å; Y237-L241 HydrophobicContact CE1-CD1 3.43Å; Y237-L241 VanDerWaalsContact CE1-CD1 3.43Å; Y237-L241 HydrophobicContact CE1-CD2 4.48Å; Y237-L241 HydrophobicContact CE1-CG 4.02Å; Y237-L241 WeakPolarHBondContact O-CG 3.42Å; Y237-L241 PolarHBondContact O-N 3.24Å; Y237-L241 VanDerWaalsContact O-N 3.09Å; D238-L241 WeakPolarHBondContact O-CB 3.23Å; D238-L241 PolarHBondContact O-N 3.11Å; Q239-L241 VanDerWaalsContact C-N 3.27Å; Q239-L241 PolarHBondContact O-N 3.31Å; L241-P248 HydrophobicContact CD2-CB 4.27Å; L241-P248 HydrophobicContact CD2-CG 4.06Å; L241-A251 HydrophobicContact CD2-CB 4.05Å
242R96.7Very high95.7Very high30 Ų3038.2 Ų38.211%0.11320%0.203CC..THydrogen-bonded Turntrans-88-18.5177.1-57-42.1-173.1-113.826.3114Y195 K196 F197 E201 K217 W220 D238 Q239 L240 P244Y195-R242 PolarHBondContact O-NH1 3.4Å; K196-R242 PolarHBondContact O-NH2 3.44Å; F197-R242 HydrophobicContact CZ-CG 4.47Å; E201-R242 IonicContact OE1-CZ 3.22Å; E201-R242 IonicContact OE1-NE 2.56Å; E201-R242 PolarHBondContact OE1-NE 3.18Å; E201-R242 IonicContact OE1-NH2 2.99Å; E201-R242 PolarHBondContact OE1-NH2 3.45Å; E201-R242 IonicContact OE2-CZ 3.88Å; E201-R242 IonicContact OE2-NE 3.5Å; E201-R242 IonicContact OE2-NH2 3.92Å; E201-R242 PolarHBondContact OE2-NH2 2.98Å; K217-R242 WeakPolarHBondContact CE-O 3.37Å; W220-R242 HydrophobicContact CE3-CB 4.37Å; W220-R242 HydrophobicContact CH2-CB 3.76Å; W220-R242 HydrophobicContact CH2-CG 3.84Å; W220-R242 HydrophobicContact CZ3-CB 3.51Å; W220-R242 HydrophobicContact CZ3-CG 4.08Å; D238-R242 WeakPolarHBondContact O-CG 3.45Å; D238-R242 PolarHBondContact O-NH1 3.42Å; Q239-R242 WeakPolarHBondContact O-CB 3.28Å; Q239-R242 PolarHBondContact O-N 2.89Å; L240-R242 PolarHBondContact O-N 2.97Å; R242-P244 WeakPolarHBondContact O-CD 3.41Å
243V96.4Very high95.7Very high0 Ų040.8 Ų40.80%022%0.216CC..SBendtrans-74122.5179179.90000110.9K217 F228 V230 L240 G245 I246 A278 F281 I282K217-V243 VanDerWaalsContact CE-C 3.4Å; K217-V243 WeakPolarHBondContact CE-O 3.45Å; K217-V243 PolarHBondContact NZ-O 3.1Å; F228-V243 HydrophobicContact CE1-CG2 4.07Å; V230-V243 HydrophobicContact CB-CG2 4.03Å; V230-V243 HydrophobicContact CG1-CG2 4.26Å; V230-V243 HydrophobicContact CG2-CG2 4.29Å; L240-V243 PolarHBondContact O-N 3.25Å; V243-G245 PolarHBondContact O-N 3.07Å; V243-I246 HydrophobicContact CB-CB 4.31Å; V243-I246 HydrophobicContact CB-CD1 3.8Å; V243-I246 HydrophobicContact CB-CG1 4.07Å; V243-I246 HydrophobicContact CG1-CD1 3.73Å; V243-I246 HydrophobicContact CG1-CG1 3.91Å; V243-I246 HydrophobicContact CG2-CD1 4.23Å; V243-I246 PolarHBondContact O-N 2.89Å; V243-A278 HydrophobicContact CG1-CB 4.18Å; V243-F281 HydrophobicContact CG1-CB 4.04Å; V243-I282 HydrophobicContact CB-CG2 4.45Å; V243-I282 HydrophobicContact CG1-CG2 3.35Å; V243-I282 HydrophobicContact CG2-CG2 4.3Å
244P94.9Very high95.8Very high0 Ų039 Ų390%021%0.208CC..THydrogen-bonded Turntrans-56.6133.7173-27.337.6000112.3A218 A221 R242 I246 R277 A278 F281A218-P244 HydrophobicContact CB-CB 4.49Å; A218-P244 HydrophobicContact CB-CG 4.36Å; A221-P244 HydrophobicContact CB-CG 3.49Å; A221-P244 VanDerWaalsContact CB-CG 3.49Å; R242-P244 WeakPolarHBondContact O-CD 3.41Å; P244-I246 VanDerWaalsContact C-N 3.35Å; P244-R277 HydrophobicContact CB-CB 4.5Å; P244-R277 CarbonylContact O-C 3.32Å; P244-A278 WeakPolarHBondContact O-CA 3.13Å; P244-A278 VanDerWaalsContact O-CB 3.22Å; P244-A278 WeakPolarHBondContact O-CB 3.32Å; P244-A278 PolarHBondContact O-N 3.39Å; P244-F281 HydrophobicContact CB-CD2 4.14Å; P244-F281 HydrophobicContact CB-CE2 4.07Å; P244-F281 HydrophobicContact CG-CD2 3.74Å; P244-F281 HydrophobicContact CG-CE2 3.63Å; P244-F281 HydrophobicContact CG-CG 4.32Å; P244-F281 HydrophobicContact CG-CZ 4.11Å
245G93.4Very high95.9Very high17 Ų1736.1 Ų36.118%0.17519%0.19CC..THydrogen-bonded Turntrans87.8-8.1-17800000115.6V243 V274V243-G245 PolarHBondContact O-N 3.07Å; G245-V274 PolarHBondContact O-N 3.17Å
246I96.3Very high95.8Very high0 Ų042 Ų420%021%0.214CC..  trans-100.6120.8167.8-58.3-174.7000108.8Y195 K217 L240 V243 P244 A251 I254 I273 I282Y195-I246 WeakPolarHBondContact CE1-O 3.48Å; K217-I246 PolarHBondContact NZ-O 2.82Å; L240-I246 HydrophobicContact CB-CG2 4.35Å; L240-I246 HydrophobicContact CD2-CD1 4.1Å; V243-I246 HydrophobicContact CB-CB 4.31Å; V243-I246 HydrophobicContact CB-CD1 3.8Å; V243-I246 HydrophobicContact CB-CG1 4.07Å; V243-I246 HydrophobicContact CG1-CD1 3.73Å; V243-I246 HydrophobicContact CG1-CG1 3.91Å; V243-I246 HydrophobicContact CG2-CD1 4.23Å; V243-I246 PolarHBondContact O-N 2.89Å; P244-I246 VanDerWaalsContact C-N 3.35Å; I246-A251 HydrophobicContact CG2-CB 3.91Å; I246-I254 HydrophobicContact CD1-CD1 4.04Å; I246-I254 HydrophobicContact CG2-CD1 4.05Å; I246-I273 HydrophobicContact CD1-CD1 4.2Å; I246-I273 HydrophobicContact CD1-CG2 4.44Å; I246-I273 HydrophobicContact CG1-CD1 4.3Å; I246-I273 HydrophobicContact CG1-CG1 4.16Å; I246-I273 HydrophobicContact CG1-CG2 3.71Å; I246-I282 HydrophobicContact CD1-CG2 4.4Å
247G95.2Very high95.7Very high12 Ų1240.4 Ų40.412%0.12421%0.205CC..  trans-100.5176.2173.100000113.3Y195 K249 S250 A251Y195-G247 VanDerWaalsContact OH-CA 3.29Å; Y195-G247 WeakPolarHBondContact OH-CA 3.15Å; G247-K249 VanDerWaalsContact C-N 3.32Å; G247-K249 PolarHBondContact O-N 2.69Å; G247-S250 PolarHBondContact O-N 2.94Å; G247-S250 VanDerWaalsContact O-N 3.16Å; G247-A251 WeakPolarHBondContact O-CB 3.07Å; G247-A251 PolarHBondContact O-N 3.11Å
248P95.2Very high95.6Very high34 Ų3439.1 Ų39.122%0.22120%0.2CC..Hα-helixtrans-55.4-43.4178.8-27.135.9000113.4F194 Y195 L241 A251 Q252F194-P248 HydrophobicContact CB-CG 4.44Å; Y195-P248 HydrophobicContact CE1-CG 4.42Å; Y195-P248 HydrophobicContact CE2-CG 4.42Å; L241-P248 HydrophobicContact CD2-CB 4.27Å; L241-P248 HydrophobicContact CD2-CG 4.06Å; P248-A251 PolarHBondContact O-N 3.43Å; P248-Q252 WeakPolarHBondContact O-CB 3.23Å; P248-Q252 VanDerWaalsContact O-CG 3.27Å; P248-Q252 WeakPolarHBondContact O-CG 3.19Å; P248-Q252 PolarHBondContact O-N 3.39Å
249K95.5Very high95.4Very high156 Ų15643.2 Ų43.268%0.67821%0.214SC*.Hα-helixtrans-63.7-47.5176.5-170.7175.3-178178.30111.7G247 Q252 N253G247-K249 VanDerWaalsContact C-N 3.32Å; G247-K249 PolarHBondContact O-N 2.69Å; K249-Q252 PolarHBondContact O-N 2.89Å; K249-N253 PolarHBondContact O-N 3.25Å; K249-N253 PolarHBondContact O-OD1 3.01Å
250S95.6Very high95.2Very high15 Ų1548.2 Ų48.211%0.10523%0.23CC..Hα-helixtrans-63.5-43.4178.1-390000110.9G247 Q252 N253 I254 G272G247-S250 PolarHBondContact O-N 2.94Å; G247-S250 VanDerWaalsContact O-N 3.16Å; S250-Q252 PolarHBondContact O-N 3.25Å; S250-N253 WeakPolarHBondContact O-CB 3.47Å; S250-N253 PolarHBondContact O-N 2.76Å; S250-I254 VanDerWaalsContact O-CB 3.28Å; S250-I254 WeakPolarHBondContact O-CB 3.4Å; S250-I254 VanDerWaalsContact O-CD1 3.28Å; S250-I254 WeakPolarHBondContact O-CD1 3.33Å; S250-I254 WeakPolarHBondContact O-CG1 3.27Å; S250-I254 PolarHBondContact O-N 2.87Å; S250-G272 PolarHBondContact OG-O 3.14Å
251A96.4Very high94.8Very high0 Ų054 Ų540%025%0.253CS..Hα-helixtrans-59.7-42.5174.700000112.1Y237 L240 L241 I246 G247 P248 I254 V255Y237-A251 HydrophobicContact CD2-CB 3.81Å; Y237-A251 HydrophobicContact CE2-CB 3.51Å; L240-A251 HydrophobicContact CB-CB 4.02Å; L241-A251 HydrophobicContact CD2-CB 4.05Å; I246-A251 HydrophobicContact CG2-CB 3.91Å; G247-A251 WeakPolarHBondContact O-CB 3.07Å; G247-A251 PolarHBondContact O-N 3.11Å; P248-A251 PolarHBondContact O-N 3.43Å; A251-I254 WeakPolarHBondContact O-CB 3.5Å; A251-I254 PolarHBondContact O-N 3.24Å; A251-V255 VanDerWaalsContact O-CG2 3.31Å; A251-V255 WeakPolarHBondContact O-CG2 3.38Å; A251-V255 PolarHBondContact O-N 3Å
252Q96.4Very high94.6Very high93 Ų9361.4 Ų61.444%0.43528%0.28SS..Hα-helixtrans-64.6-44.5174.1-74176.21.100112.2Y237 P248 K249 S250 I254 V255 K256Y237-Q252 HydrophobicContact CE2-CG 3.69Å; P248-Q252 WeakPolarHBondContact O-CB 3.23Å; P248-Q252 VanDerWaalsContact O-CG 3.27Å; P248-Q252 WeakPolarHBondContact O-CG 3.19Å; P248-Q252 PolarHBondContact O-N 3.39Å; K249-Q252 PolarHBondContact O-N 2.89Å; S250-Q252 PolarHBondContact O-N 3.25Å; Q252-I254 VanDerWaalsContact C-N 3.28Å; Q252-I254 PolarHBondContact O-N 3.4Å; Q252-V255 PolarHBondContact O-N 2.84Å; Q252-K256 WeakPolarHBondContact O-CB 3.45Å; Q252-K256 WeakPolarHBondContact O-CG 3.25Å; Q252-K256 PolarHBondContact O-N 3.16Å
253N96.1Very high94.4Very high54 Ų5460 Ų6029%0.28928%0.275SS..Hα-helixtrans-59-44.3177.7-71.1-14.1000111.2K249 S250 K256 A257 L271K249-N253 PolarHBondContact O-N 3.25Å; K249-N253 PolarHBondContact O-OD1 3.01Å; S250-N253 WeakPolarHBondContact O-CB 3.47Å; S250-N253 PolarHBondContact O-N 2.76Å; N253-K256 PolarHBondContact O-N 3.33Å; N253-A257 VanDerWaalsContact O-CB 3.26Å; N253-A257 WeakPolarHBondContact O-CB 3.3Å; N253-A257 PolarHBondContact O-N 3.46Å; N253-L271 HydrophobicContact CB-CD2 4.23Å; N253-L271 PolarHBondContact ND2-O 3.28Å
254I95.9Very high94.2Very high0 Ų064 Ų640%029%0.294CS..Hα-helixtrans-59.8-50.7176.3-73.3166.3000111.1V232 L240 I246 S250 A251 Q252 K256 A257 R258 L263 L271 I273V232-I254 HydrophobicContact CG1-CD1 4.4Å; V232-I254 HydrophobicContact CG1-CG2 3.79Å; L240-I254 HydrophobicContact CD1-CB 4.42Å; L240-I254 HydrophobicContact CD1-CG2 3.78Å; L240-I254 HydrophobicContact CD2-CG2 4.46Å; I246-I254 HydrophobicContact CD1-CD1 4.04Å; I246-I254 HydrophobicContact CG2-CD1 4.05Å; S250-I254 VanDerWaalsContact O-CB 3.28Å; S250-I254 WeakPolarHBondContact O-CB 3.4Å; S250-I254 VanDerWaalsContact O-CD1 3.28Å; S250-I254 WeakPolarHBondContact O-CD1 3.33Å; S250-I254 WeakPolarHBondContact O-CG1 3.27Å; S250-I254 PolarHBondContact O-N 2.87Å; A251-I254 WeakPolarHBondContact O-CB 3.5Å; A251-I254 PolarHBondContact O-N 3.24Å; Q252-I254 VanDerWaalsContact C-N 3.28Å; Q252-I254 PolarHBondContact O-N 3.4Å; I254-K256 VanDerWaalsContact C-N 3.28Å; I254-K256 PolarHBondContact O-N 3.37Å; I254-A257 PolarHBondContact O-N 2.85Å; I254-R258 WeakPolarHBondContact O-CD 3.4Å; I254-R258 VanDerWaalsContact O-CG 3.25Å; I254-R258 WeakPolarHBondContact O-CG 3.43Å; I254-R258 PolarHBondContact O-N 3.26Å; I254-R258 VanDerWaalsContact O-N 3.12Å; I254-L263 HydrophobicContact CG2-CD1 4.11Å; I254-L271 HydrophobicContact CG1-CB 4.28Å; I254-L271 HydrophobicContact CG1-CD1 3.85Å; I254-I273 HydrophobicContact CD1-CD1 3.33Å; I254-I273 HydrophobicContact CD1-CG1 3.85Å; I254-I273 HydrophobicContact CG1-CD1 3.93Å; I254-I273 HydrophobicContact CG1-CG1 4.49Å
255V95.6Very high93.9Very high50 Ų5066.4 Ų66.430%0.30331%0.306SS..Hα-helixtrans-62-36.6178.3170.60000111.6Y237 L240 A251 Q252Y237-V255 HydrophobicContact CD2-CG2 4.27Å; L240-V255 HydrophobicContact CD1-CG2 4.06Å; A251-V255 VanDerWaalsContact O-CG2 3.31Å; A251-V255 WeakPolarHBondContact O-CG2 3.38Å; A251-V255 PolarHBondContact O-N 3Å; Q252-V255 PolarHBondContact O-N 2.84Å
256K94.4Very high93.7Very high129 Ų12970.7 Ų70.756%0.56133%0.329SS*.Hα-helixtrans-68.6-46.1175.2-73.9177.4179.8-1780112Q252 N253 I254 R258 K259 Y260Q252-K256 WeakPolarHBondContact O-CB 3.45Å; Q252-K256 WeakPolarHBondContact O-CG 3.25Å; Q252-K256 PolarHBondContact O-N 3.16Å; N253-K256 PolarHBondContact O-N 3.33Å; I254-K256 VanDerWaalsContact C-N 3.28Å; I254-K256 PolarHBondContact O-N 3.37Å; K256-R258 PolarHBondContact O-N 3.04Å; K256-K259 WeakPolarHBondContact O-CB 3.15Å; K256-K259 PolarHBondContact O-N 3.11Å; K256-Y260 WeakPolarHBondContact O-CD2 3.45Å
257A93.8Very high93.5Very high24 Ų2471.7 Ų71.720%0.19834%0.335CS..Hα-helixtrans-64-42.4-175.400000112.3N253 I254 K259 Y260 Y261 L263 L271N253-A257 VanDerWaalsContact O-CB 3.26Å; N253-A257 WeakPolarHBondContact O-CB 3.3Å; N253-A257 PolarHBondContact O-N 3.46Å; I254-A257 PolarHBondContact O-N 2.85Å; A257-K259 PolarHBondContact O-N 2.97Å; A257-K259 VanDerWaalsContact O-N 3.09Å; A257-Y260 PolarHBondContact O-N 2.78Å; A257-Y261 PolarHBondContact O-N 3.38Å; A257-L263 HydrophobicContact CB-CD2 3.89Å; A257-L271 HydrophobicContact CB-CD2 4Å
258R94.3Very high93.3Very high35 Ų3571.2 Ų71.213%0.13233%0.329CS..THydrogen-bonded Turntrans-63.1-18-179.1-66.2161.5-177.5178.817.7114.8V232 Q233 A235 L240 I254 K256 Y260 Y261 L263V232-R258 VanDerWaalsContact CA-NH2 3.3Å; V232-R258 PolarHBondContact O-NE 3.44Å; V232-R258 PolarHBondContact O-NH1 3.46Å; V232-R258 PolarHBondContact O-NH2 2.87Å; Q233-R258 WeakPolarHBondContact O-CD 3.35Å; Q233-R258 PolarHBondContact O-NE 3.2Å; Q233-R258 PolarHBondContact O-NH1 2.75Å; A235-R258 PolarHBondContact O-NH1 3.44Å; L240-R258 VanDerWaalsContact CD2-NH2 3.32Å; I254-R258 WeakPolarHBondContact O-CD 3.4Å; I254-R258 VanDerWaalsContact O-CG 3.25Å; I254-R258 WeakPolarHBondContact O-CG 3.43Å; I254-R258 PolarHBondContact O-N 3.26Å; I254-R258 VanDerWaalsContact O-N 3.12Å; K256-R258 PolarHBondContact O-N 3.04Å; R258-Y260 VanDerWaalsContact C-N 3.28Å; R258-Y261 VanDerWaalsContact CA-O 3.3Å; R258-Y261 WeakPolarHBondContact CA-O 3.17Å; R258-L263 HydrophobicContact CG-CD1 3.47Å; R258-L263 VanDerWaalsContact CG-CD1 3.47Å; R258-L263 HydrophobicContact CG-CG 3.73Å
259K91.6Very high93.1Very high155 Ų15577.4 Ų77.467%0.67435%0.353SS*.THydrogen-bonded Turntrans-69.6-28.2175.5-66.5-177.5178.7-170.30112.5K256 A257K256-K259 WeakPolarHBondContact O-CB 3.15Å; K256-K259 PolarHBondContact O-N 3.11Å; A257-K259 PolarHBondContact O-N 2.97Å; A257-K259 VanDerWaalsContact O-N 3.09Å
260Y92.6Very high92.9Very high208 Ų20878.3 Ų78.382%0.81636%0.357SS*.THydrogen-bonded Turntrans-116.7-20-173-57.1-74.9000112.8K256 A257 R258K256-Y260 WeakPolarHBondContact O-CD2 3.45Å; A257-Y260 PolarHBondContact O-N 2.78Å; R258-Y260 VanDerWaalsContact C-N 3.28Å
261Y88.7Confident92.7Very high122 Ų12278.9 Ų78.948%0.47836%0.358SS..SBendtrans-149.3139.4-168.9178.9-105.8000111.2A257 R258 L263 H264 D267A257-Y261 PolarHBondContact O-N 3.38Å; R258-Y261 VanDerWaalsContact CA-O 3.3Å; R258-Y261 WeakPolarHBondContact CA-O 3.17Å; Y261-L263 HydrophobicContact CD1-CD2 4.13Å; Y261-L263 PolarHBondContact O-N 3.49Å; Y261-H264 PolarHBondContact OH-CD2 3.04Å; Y261-D267 WeakPolarHBondContact CE1-OD2 3.22Å
262R91.4Very high92.5Very high155 Ų15581 Ų8159%0.58538%0.38SS*.  trans-80119.1174.5-171.2174.7-173.5169.3-0.6109.1H264 N285R262-H264 PolarHBondContact O-CD2 3.47Å; R262-N285 PolarHBondContact NE-OD1 3.43Å; R262-N285 PolarHBondContact NH2-OD1 3.36Å
263L93.2Very high92.4Very high2 Ų276.9 Ų76.91%0.0136%0.361CS..  trans-73.2145.1-175.9-61.7-178.2000111.7V232 I254 A257 R258 Y261 L271 C284 N285V232-L263 HydrophobicContact CG1-CD1 4.03Å; I254-L263 HydrophobicContact CG2-CD1 4.11Å; A257-L263 HydrophobicContact CB-CD2 3.89Å; R258-L263 HydrophobicContact CG-CD1 3.47Å; R258-L263 VanDerWaalsContact CG-CD1 3.47Å; R258-L263 HydrophobicContact CG-CG 3.73Å; Y261-L263 HydrophobicContact CD1-CD2 4.13Å; Y261-L263 PolarHBondContact O-N 3.49Å; L263-L271 HydrophobicContact CD1-CD1 3.93Å; L263-L271 HydrophobicContact CD2-CD1 3.78Å; L263-C284 VanDerWaalsContact C-SG 3.55Å; L263-C284 PolarHBondContact O-SG 2.94Å; L263-N285 PolarHBondContact O-ND2 3.37Å
264H91.5Very high92.2Very high82 Ų8278 Ų7838%0.3837%0.37SS..  trans-116.8163.7166.8-63.3-85.3000111.1Y261 R262 T266 D267Y261-H264 PolarHBondContact OH-CD2 3.04Å; R262-H264 PolarHBondContact O-CD2 3.47Å; H264-T266 PolarHBondContact O-N 3.17Å; H264-T266 VanDerWaalsContact O-N 3.13Å; H264-D267 WeakPolarHBondContact CB-OD2 3.38Å; H264-D267 IonicContact CD2-OD2 2.84Å; H264-D267 PolarHBondContact N-OD2 3.12Å; H264-D267 WeakPolarHBondContact O-CB 3.15Å; H264-D267 PolarHBondContact O-N 2.93Å
265L89.2Confident92Very high51 Ų5180.6 Ų80.627%0.26738%0.383SS..THydrogen-bonded Turntrans-55.6-31.9179-71.7175.5000112.8D267 L268 C284 E287 P289L265-D267 VanDerWaalsContact C-N 3.28Å; L265-D267 PolarHBondContact O-N 3.34Å; L265-L268 HydrophobicContact CD2-CD1 3.96Å; L265-L268 WeakPolarHBondContact O-CB 3.48Å; L265-C284 HydrophobicContact CD2-CB 3.67Å; L265-C284 HydrophobicContact CG-CB 4.08Å; L265-E287 HydrophobicContact CD1-CB 4.32Å; L265-P289 HydrophobicContact CD2-CG 4.28Å
266T89Confident91.6Very high108 Ų10885.2 Ų85.266%0.66340%0.399SS*.THydrogen-bonded Turntrans-66.1-26.6177.248.20000113.7H264H264-T266 PolarHBondContact O-N 3.17Å; H264-T266 VanDerWaalsContact O-N 3.13Å
267D90.9Very high91.4Very high21 Ų2182.3 Ų82.311%0.11238%0.384CS..THydrogen-bonded Turntrans-82.4-23.7-175.4-54-43.7000112.3Y261 H264 L265 K269 K270 L271Y261-D267 WeakPolarHBondContact CE1-OD2 3.22Å; H264-D267 WeakPolarHBondContact CB-OD2 3.38Å; H264-D267 IonicContact CD2-OD2 2.84Å; H264-D267 PolarHBondContact N-OD2 3.12Å; H264-D267 WeakPolarHBondContact O-CB 3.15Å; H264-D267 PolarHBondContact O-N 2.93Å; L265-D267 VanDerWaalsContact C-N 3.28Å; L265-D267 PolarHBondContact O-N 3.34Å; D267-K269 VanDerWaalsContact C-N 3.25Å; D267-K269 PolarHBondContact O-N 2.83Å; D267-K270 WeakPolarHBondContact O-CA 3.31Å; D267-K270 WeakPolarHBondContact O-CB 3.49Å; D267-K270 PolarHBondContact O-N 3.43Å; D267-L271 PolarHBondContact O-N 3.37Å
268L91.6Very high91.4Very high2 Ų281.1 Ų81.11%0.0138%0.375CS..THydrogen-bonded Turntrans-55.8-40.5-174.8-62.3-167.1000112.4V232 L265 K270 L271 I273 I275 I282V232-L268 HydrophobicContact CB-CD2 4.48Å; V232-L268 HydrophobicContact CG1-CD2 3.89Å; L265-L268 HydrophobicContact CD2-CD1 3.96Å; L265-L268 WeakPolarHBondContact O-CB 3.48Å; L268-K270 VanDerWaalsContact C-N 3.33Å; L268-K270 PolarHBondContact O-N 3.26Å; L268-L271 PolarHBondContact O-N 3.24Å; L268-I273 HydrophobicContact CB-CD1 3.89Å; L268-I273 HydrophobicContact CD2-CD1 3.85Å; L268-I273 HydrophobicContact CG-CD1 4.33Å; L268-I273 VanDerWaalsContact O-CB 3.27Å; L268-I273 WeakPolarHBondContact O-CB 3.38Å; L268-I273 WeakPolarHBondContact O-CG1 3.46Å; L268-I273 PolarHBondContact O-N 2.83Å; L268-I275 HydrophobicContact CB-CD1 3.57Å; L268-I282 HydrophobicContact CD1-CD1 3.58Å
269K92.3Very high91.3Very high164 Ų16481.4 Ų81.471%0.71338%0.378SS*.THydrogen-bonded Turntrans-64.4-38.4176.7-169.7178178.2-177.40111.5D267 L271 G272 I275D267-K269 VanDerWaalsContact C-N 3.25Å; D267-K269 PolarHBondContact O-N 2.83Å; K269-L271 VanDerWaalsContact C-N 3.32Å; K269-L271 PolarHBondContact O-N 3.46Å; K269-G272 PolarHBondContact O-N 3.24Å; K269-I275 HydrophobicContact CB-CD1 4.4Å; K269-I275 HydrophobicContact CB-CG1 3.95Å; K269-I275 HydrophobicContact CG-CG1 4.37Å
270K90.7Very high91.3Very high174 Ų17475.2 Ų75.276%0.75735%0.35SS*.THydrogen-bonded Turntrans-70-28.6179.2-60.1178.1-177.9171.20112.3D267 L268 G272D267-K270 WeakPolarHBondContact O-CA 3.31Å; D267-K270 WeakPolarHBondContact O-CB 3.49Å; D267-K270 PolarHBondContact O-N 3.43Å; L268-K270 VanDerWaalsContact C-N 3.33Å; L268-K270 PolarHBondContact O-N 3.26Å; K270-G272 PolarHBondContact O-N 3.39Å
271L92Very high91.4Very high27 Ų2765.3 Ų65.314%0.14131%0.311CS..THydrogen-bonded Turntrans-76.7-0.1176.2-64.8172.1000113.8N253 I254 A257 L263 D267 L268 K269N253-L271 HydrophobicContact CB-CD2 4.23Å; N253-L271 PolarHBondContact ND2-O 3.28Å; I254-L271 HydrophobicContact CG1-CB 4.28Å; I254-L271 HydrophobicContact CG1-CD1 3.85Å; A257-L271 HydrophobicContact CB-CD2 4Å; L263-L271 HydrophobicContact CD1-CD1 3.93Å; L263-L271 HydrophobicContact CD2-CD1 3.78Å; D267-L271 PolarHBondContact O-N 3.37Å; L268-L271 PolarHBondContact O-N 3.24Å; K269-L271 VanDerWaalsContact C-N 3.32Å; K269-L271 PolarHBondContact O-N 3.46Å
272G91.1Very high91.7Very high44 Ų4459.6 Ų59.645%0.45429%0.289SS..THydrogen-bonded Turntrans84.426179.800000113.7S250 K269 K270S250-G272 PolarHBondContact OG-O 3.14Å; K269-G272 PolarHBondContact O-N 3.24Å; K270-G272 PolarHBondContact O-N 3.39Å
273I94Very high91.8Very high7 Ų752.4 Ų52.44%0.03626%0.263CS..  trans-87133.1174.4-55.1173.2000109.4I246 I254 L268 I275 A278I246-I273 HydrophobicContact CD1-CD1 4.2Å; I246-I273 HydrophobicContact CD1-CG2 4.44Å; I246-I273 HydrophobicContact CG1-CD1 4.3Å; I246-I273 HydrophobicContact CG1-CG1 4.16Å; I246-I273 HydrophobicContact CG1-CG2 3.71Å; I254-I273 HydrophobicContact CD1-CD1 3.33Å; I254-I273 HydrophobicContact CD1-CG1 3.85Å; I254-I273 HydrophobicContact CG1-CD1 3.93Å; I254-I273 HydrophobicContact CG1-CG1 4.49Å; L268-I273 HydrophobicContact CB-CD1 3.89Å; L268-I273 HydrophobicContact CD2-CD1 3.85Å; L268-I273 HydrophobicContact CG-CD1 4.33Å; L268-I273 VanDerWaalsContact O-CB 3.27Å; L268-I273 WeakPolarHBondContact O-CB 3.38Å; L268-I273 WeakPolarHBondContact O-CG1 3.46Å; L268-I273 PolarHBondContact O-N 2.83Å; I273-I275 HydrophobicContact CB-CD1 4.27Å; I273-I275 HydrophobicContact CG2-CD1 4.2Å; I273-I275 PolarHBondContact O-N 2.92Å; I273-A278 HydrophobicContact CG2-CB 3.59Å
274V92.9Very high91.8Very high79 Ų7952.3 Ų52.348%0.47926%0.262SS..  trans-79.588174.3-175.10000109.5G245 K276 R277 A278G245-V274 PolarHBondContact O-N 3.17Å; V274-K276 VanDerWaalsContact C-N 3.29Å; V274-K276 PolarHBondContact O-N 3.3Å; V274-R277 HydrophobicContact CG1-CB 4.48Å; V274-R277 HydrophobicContact CG1-CG 4.32Å; V274-R277 PolarHBondContact O-N 3.45Å; V274-A278 PolarHBondContact O-N 3.12Å
275I90.4Very high91.7Very high53 Ų5349.5 Ų49.527%0.27225%0.25SS..Hα-helixtrans-52.6-43.2-173.8-56.3-56.4000112.7L268 K269 I273 R277 A278 Q279L268-I275 HydrophobicContact CB-CD1 3.57Å; K269-I275 HydrophobicContact CB-CD1 4.4Å; K269-I275 HydrophobicContact CB-CG1 3.95Å; K269-I275 HydrophobicContact CG-CG1 4.37Å; I273-I275 HydrophobicContact CB-CD1 4.27Å; I273-I275 HydrophobicContact CG2-CD1 4.2Å; I273-I275 PolarHBondContact O-N 2.92Å; I275-R277 PolarHBondContact O-N 3.04Å; I275-A278 PolarHBondContact O-N 3.42Å; I275-A278 VanDerWaalsContact O-N 3.14Å; I275-Q279 HydrophobicContact CG2-CB 4.35Å; I275-Q279 VanDerWaalsContact O-CB 3.23Å; I275-Q279 WeakPolarHBondContact O-CB 3.18Å; I275-Q279 WeakPolarHBondContact O-CG 3.04Å; I275-Q279 PolarHBondContact O-N 2.89Å
276K88.3Confident91.6Very high147 Ų14754.8 Ų54.864%0.63927%0.273SS*.Hα-helixtrans-50.7-33.1179.8-175.2178.1178.7-177.40113.3V274 Q279 Y280V274-K276 VanDerWaalsContact C-N 3.29Å; V274-K276 PolarHBondContact O-N 3.3Å; K276-Q279 PolarHBondContact O-NE2 2.85Å; K276-Q279 VanDerWaalsContact O-NE2 3.07Å; K276-Y280 WeakPolarHBondContact O-CE2 3.18Å
277R90.8Very high91.5Very high68 Ų6855.1 Ų55.126%0.25727%0.267SS..Hα-helixtrans-97.1-38.7-179.6-66.917555.7984.5112.1D215 P244 V274 I275 F281 L303D215-R277 IonicContact OD1-NH2 3.07Å; D215-R277 PolarHBondContact OD1-NH2 3.37Å; D215-R277 IonicContact OD2-CZ 2.64Å; D215-R277 IonicContact OD2-NH1 3.88Å; D215-R277 PolarHBondContact OD2-NH1 3.23Å; D215-R277 IonicContact OD2-NH2 3.93Å; D215-R277 PolarHBondContact OD2-NH2 2.62Å; P244-R277 HydrophobicContact CB-CB 4.5Å; P244-R277 CarbonylContact O-C 3.32Å; V274-R277 HydrophobicContact CG1-CB 4.48Å; V274-R277 HydrophobicContact CG1-CG 4.32Å; V274-R277 PolarHBondContact O-N 3.45Å; I275-R277 PolarHBondContact O-N 3.04Å; R277-F281 WeakPolarHBondContact O-CD2 3.42Å; R277-L303 HydrophobicContact CB-CD2 4.17Å; R277-L303 HydrophobicContact CG-CD2 4.09Å
278A93.4Very high91.4Very high0 Ų056.5 Ų56.50%028%0.276CS..Hα-helixtrans-75.7-27.4-17500000113.7V243 P244 I273 V274 I275 Y280 F281 I282V243-A278 HydrophobicContact CG1-CB 4.18Å; P244-A278 WeakPolarHBondContact O-CA 3.13Å; P244-A278 VanDerWaalsContact O-CB 3.22Å; P244-A278 WeakPolarHBondContact O-CB 3.32Å; P244-A278 PolarHBondContact O-N 3.39Å; I273-A278 HydrophobicContact CG2-CB 3.59Å; V274-A278 PolarHBondContact O-N 3.12Å; I275-A278 PolarHBondContact O-N 3.42Å; I275-A278 VanDerWaalsContact O-N 3.14Å; A278-Y280 PolarHBondContact O-N 3.37Å; A278-F281 PolarHBondContact O-N 3.46Å; A278-I282 HydrophobicContact CB-CD1 3.85Å; A278-I282 HydrophobicContact CB-CG2 4.28Å; A278-I282 WeakPolarHBondContact O-CG1 3.34Å; A278-I282 PolarHBondContact O-N 3.15Å
279Q92.5Very high91.1Very high41 Ų4157.8 Ų57.819%0.19229%0.285CS..THydrogen-bonded Turntrans-55.1-29.4-170.964.7-175.5-22.800115.3I275 K276 F281 P289 L292I275-Q279 HydrophobicContact CG2-CB 4.35Å; I275-Q279 VanDerWaalsContact O-CB 3.23Å; I275-Q279 WeakPolarHBondContact O-CB 3.18Å; I275-Q279 WeakPolarHBondContact O-CG 3.04Å; I275-Q279 PolarHBondContact O-N 2.89Å; K276-Q279 PolarHBondContact O-NE2 2.85Å; K276-Q279 VanDerWaalsContact O-NE2 3.07Å; Q279-F281 VanDerWaalsContact C-N 3.3Å; Q279-P289 HydrophobicContact CB-CB 4.44Å; Q279-P289 HydrophobicContact CB-CG 4.14Å; Q279-L292 HydrophobicContact CB-CD1 3.79Å; Q279-L292 HydrophobicContact CG-CD1 3.78Å; Q279-L292 HydrophobicContact CG-CD2 4.43Å; Q279-L292 WeakPolarHBondContact O-CD1 3.44Å
280Y91.8Very high90.5Very high24 Ų2454.6 Ų54.69%0.09429%0.289CS..THydrogen-bonded Turntrans-79.1-13.7178.8-52.1-68.7000113.5Y225 K276 A278 L292 W298 I299 S302 L303Y225-Y280 PolarHBondContact OH-O 3.48Å; K276-Y280 WeakPolarHBondContact O-CE2 3.18Å; A278-Y280 PolarHBondContact O-N 3.37Å; Y280-L292 HydrophobicContact CD1-CB 4.26Å; Y280-L292 HydrophobicContact CD1-CD1 3.96Å; Y280-L292 HydrophobicContact CD1-CD2 4.45Å; Y280-L292 HydrophobicContact CD1-CG 4.46Å; Y280-L292 HydrophobicContact CE1-CB 4.25Å; Y280-L292 HydrophobicContact CE1-CD1 4.11Å; Y280-L292 HydrophobicContact CE1-CD2 3.8Å; Y280-L292 HydrophobicContact CE1-CG 4.27Å; Y280-W298 HydrophobicContact CD1-CZ3 4.39Å; Y280-W298 HydrophobicContact CE1-CE3 4.44Å; Y280-W298 HydrophobicContact CE1-CH2 4.36Å; Y280-W298 AromaticContact CE1-CZ3 3.57Å; Y280-W298 HydrophobicContact CE1-CZ3 3.57Å; Y280-I299 HydrophobicContact CD1-CG1 4.11Å; Y280-I299 HydrophobicContact CD2-CG2 4.33Å; Y280-I299 HydrophobicContact CG-CG1 4.16Å; Y280-I299 HydrophobicContact CG-CG2 4.24Å; Y280-S302 WeakPolarHBondContact OH-CB 3.38Å; Y280-L303 HydrophobicContact CD2-CD2 4.21Å; Y280-L303 HydrophobicContact CE2-CD2 4.24Å
281F94.6Very high90Very high0 Ų050.2 Ų50.20%029%0.294CS..THydrogen-bonded Turntrans-122.4-0.3-167.6-57.7-74.5000112.9A221 V222 Y225 F228 P229 V230 V243 P244 R277 A278 Q279 I299 L303A221-F281 HydrophobicContact CB-CD1 3.97Å; A221-F281 HydrophobicContact CB-CE1 3.62Å; A221-F281 HydrophobicContact CB-CZ 3.98Å; V222-F281 HydrophobicContact CG2-CE1 4.35Å; V222-F281 HydrophobicContact CG2-CZ 3.96Å; Y225-F281 HydrophobicContact CD2-CD1 4.25Å; Y225-F281 HydrophobicContact CD2-CE1 4.01Å; Y225-F281 HydrophobicContact CE2-CD1 4.24Å; Y225-F281 HydrophobicContact CE2-CE1 4.2Å; F228-F281 HydrophobicContact CB-CD1 4.25Å; F228-F281 HydrophobicContact CD1-CB 3.54Å; F228-F281 AromaticContact CD1-CD1 3.94Å; F228-F281 HydrophobicContact CD1-CD1 3.94Å; F228-F281 HydrophobicContact CD1-CG 4.19Å; F228-F281 VanDerWaalsContact CD1-O 3.22Å; F228-F281 WeakPolarHBondContact CD1-O 3.39Å; F228-F281 AromaticContact CD2-CD1 3.81Å; F228-F281 HydrophobicContact CD2-CD1 3.81Å; F228-F281 HydrophobicContact CD2-CE1 4.48Å; F228-F281 HydrophobicContact CE1-CB 3.79Å; F228-F281 HydrophobicContact CE1-CD1 4.14Å; F228-F281 HydrophobicContact CE1-CG 4.3Å; F228-F281 HydrophobicContact CE2-CD1 4.04Å; F228-F281 HydrophobicContact CG-CB 4.1Å; F228-F281 AromaticContact CG-CD1 3.72Å; F228-F281 HydrophobicContact CG-CD1 3.72Å; F228-F281 HydrophobicContact CG-CG 4.4Å; F228-F281 HydrophobicContact CZ-CD1 4.15Å; P229-F281 WeakPolarHBondContact CA-O 3.46Å; V230-F281 PolarHBondContact N-O 3.48Å; V243-F281 HydrophobicContact CG1-CB 4.04Å; P244-F281 HydrophobicContact CB-CD2 4.14Å; P244-F281 HydrophobicContact CB-CE2 4.07Å; P244-F281 HydrophobicContact CG-CD2 3.74Å; P244-F281 HydrophobicContact CG-CE2 3.63Å; P244-F281 HydrophobicContact CG-CG 4.32Å; P244-F281 HydrophobicContact CG-CZ 4.11Å; R277-F281 WeakPolarHBondContact O-CD2 3.42Å; A278-F281 PolarHBondContact O-N 3.46Å; Q279-F281 VanDerWaalsContact C-N 3.3Å; F281-I299 HydrophobicContact CE2-CG2 4.35Å; F281-I299 HydrophobicContact CZ-CG2 3.82Å; F281-L303 HydrophobicContact CE2-CD1 3.94Å; F281-L303 HydrophobicContact CZ-CD1 4Å
282I94.7Very high89.3Confident2 Ų250.7 Ų50.71%0.0130%0.296CS..EExtended strand (participates in β ladder)trans-123.1146.6-173.366-171.8000112.7V230 V232 V243 I246 L268 A278V230-I282 WeakPolarHBondContact O-CA 3.31Å; V232-I282 HydrophobicContact CG2-CB 3.86Å; V232-I282 HydrophobicContact CG2-CG2 3.93Å; V243-I282 HydrophobicContact CB-CG2 4.45Å; V243-I282 HydrophobicContact CG1-CG2 3.35Å; V243-I282 HydrophobicContact CG2-CG2 4.3Å; I246-I282 HydrophobicContact CD1-CG2 4.4Å; L268-I282 HydrophobicContact CD1-CD1 3.58Å; A278-I282 HydrophobicContact CB-CD1 3.85Å; A278-I282 HydrophobicContact CB-CG2 4.28Å; A278-I282 WeakPolarHBondContact O-CG1 3.34Å; A278-I282 PolarHBondContact O-N 3.15Å
283A93Very high88.7Confident4 Ų452.9 Ų52.93%0.03330%0.296CS..EExtended strand (participates in β ladder)trans-119.3165.1158.800000108.8P229 V230 D231 V232 E287 T288P229-A283 HydrophobicContact CB-CB 4.09Å; P229-A283 HydrophobicContact CG-CB 4.28Å; V230-A283 PolarHBondContact O-N 2.93Å; D231-A283 CarbonylContact C-O 3.57Å; D231-A283 WeakPolarHBondContact CA-O 3.23Å; D231-A283 HydrophobicContact CB-CB 4.41Å; V232-A283 WeakPolarHBondContact CB-O 3.43Å; V232-A283 WeakPolarHBondContact CG2-O 3.35Å; V232-A283 PolarHBondContact N-O 2.95Å; A283-E287 CarbonylContact C-O 3.1Å; A283-E287 WeakPolarHBondContact CA-O 3.11Å; A283-T288 HydrophobicContact CB-CG2 3.95Å
284C92.8Very high87.9Confident0 Ų058 Ų580%032%0.318CS..BIsolated β-bridgetrans-139.7112.5170.2-164.60000108.1D231 L263 L265 H286 E287D231-C284 WeakPolarHBondContact OD1-CA 3.39Å; L263-C284 VanDerWaalsContact C-SG 3.55Å; L263-C284 PolarHBondContact O-SG 2.94Å; L265-C284 HydrophobicContact CD2-CB 3.67Å; L265-C284 HydrophobicContact CG-CB 4.08Å; C284-H286 VanDerWaalsContact C-N 3.34Å; C284-E287 PolarHBondContact N-O 3.08Å; C284-E287 WeakPolarHBondContact O-CB 3.38Å; C284-E287 PolarHBondContact O-N 3.11Å
285N89.6Confident87.2Confident23 Ų2357.7 Ų57.712%0.12331%0.314CS..THydrogen-bonded Turntrans5744.8-168.7-50.3-65.2000112.5D231 Q233 R262 L263 E287D231-N285 PolarHBondContact OD1-N 3.25Å; D231-N285 WeakPolarHBondContact OD2-CA 3.24Å; D231-N285 PolarHBondContact OD2-N 2.93Å; Q233-N285 WeakPolarHBondContact CG-OD1 3.4Å; R262-N285 PolarHBondContact NE-OD1 3.43Å; R262-N285 PolarHBondContact NH2-OD1 3.36Å; L263-N285 PolarHBondContact O-ND2 3.37Å; N285-E287 PolarHBondContact O-N 3.27Å; N285-E287 VanDerWaalsContact O-N 3.07Å
286H86.5Confident86.6Confident162 Ų16257.4 Ų57.475%0.7532%0.316SS*.THydrogen-bonded Turntrans64.20.7-175-47.4-71.4000116D231 C284D231-H286 IonicContact OD2-CE1 3.88Å; D231-H286 IonicContact OD2-CG 3.91Å; D231-H286 PolarHBondContact OD2-N 2.89Å; D231-H286 IonicContact OD2-ND1 3.74Å; C284-H286 VanDerWaalsContact C-N 3.34Å
287E88.6Confident86.1Confident116 Ų11656.6 Ų56.654%0.54231%0.314SS..BIsolated β-bridgetrans-87.8127.8173.4-63.4178.1-178.800111.1L265 A283 C284 N285L265-E287 HydrophobicContact CD1-CB 4.32Å; A283-E287 CarbonylContact C-O 3.1Å; A283-E287 WeakPolarHBondContact CA-O 3.11Å; C284-E287 PolarHBondContact N-O 3.08Å; C284-E287 WeakPolarHBondContact O-CB 3.38Å; C284-E287 PolarHBondContact O-N 3.11Å; N285-E287 PolarHBondContact O-N 3.27Å; N285-E287 VanDerWaalsContact O-N 3.07Å
288T88.2Confident85.5Confident49 Ų4957.7 Ų57.730%0.30132%0.318SS..PPolyproline II helixtrans-101.2149.2172.458.30000111.1P229 A283 A290 K294P229-T288 HydrophobicContact CB-CG2 4.15Å; P229-T288 HydrophobicContact CG-CG2 3.88Å; A283-T288 HydrophobicContact CB-CG2 3.95Å; T288-A290 PolarHBondContact O-N 3.46Å; T288-K294 PolarHBondContact OG1-NZ 3.4Å
289P84.6Confident85Confident29 Ų2957.7 Ų57.719%0.18832%0.318CS..PPolyproline II helixtrans-52.6134.3171.4-24.133.6000112.1L265 Q279 L292L265-P289 HydrophobicContact CD2-CG 4.28Å; Q279-P289 HydrophobicContact CB-CB 4.44Å; Q279-P289 HydrophobicContact CB-CG 4.14Å; P289-L292 HydrophobicContact CB-CD1 3.84Å; P289-L292 HydrophobicContact CG-CD1 4.44Å
290A81Confident84.4Confident97 Ų9757.1 Ų57.180%0.80232%0.316SS*.THydrogen-bonded Turntrans-76.5154.4-175.300000112.9T288 L292T288-A290 PolarHBondContact O-N 3.46Å; A290-L292 PolarHBondContact O-N 3.13Å
291G78.7Confident83.7Confident83 Ų8359.4 Ų59.486%0.85633%0.333SS*.THydrogen-bonded Turntrans77.813.4171.500000116
292L78.9Confident82.9Confident37 Ų3760.9 Ų60.919%0.19434%0.343CS..  trans-96.3134179.5-54.7-179.7000111.6Q279 Y280 P289 A290Q279-L292 HydrophobicContact CB-CD1 3.79Å; Q279-L292 HydrophobicContact CG-CD1 3.78Å; Q279-L292 HydrophobicContact CG-CD2 4.43Å; Q279-L292 WeakPolarHBondContact O-CD1 3.44Å; Y280-L292 HydrophobicContact CD1-CB 4.26Å; Y280-L292 HydrophobicContact CD1-CD1 3.96Å; Y280-L292 HydrophobicContact CD1-CD2 4.45Å; Y280-L292 HydrophobicContact CD1-CG 4.46Å; Y280-L292 HydrophobicContact CE1-CB 4.25Å; Y280-L292 HydrophobicContact CE1-CD1 4.11Å; Y280-L292 HydrophobicContact CE1-CD2 3.8Å; Y280-L292 HydrophobicContact CE1-CG 4.27Å; P289-L292 HydrophobicContact CB-CD1 3.84Å; P289-L292 HydrophobicContact CG-CD1 4.44Å; A290-L292 PolarHBondContact O-N 3.13Å
293I77.4Confident82.3Confident89 Ų8961.7 Ų61.746%0.45635%0.347SS..  trans-79.4121.8171.1-62.8169.4000108D295 W298I293-D295 VanDerWaalsContact C-N 3.29Å; I293-D295 HydrophobicContact CG2-CB 3.91Å; I293-D295 PolarHBondContact O-N 2.93Å; I293-W298 HydrophobicContact CB-CD2 3.7Å; I293-W298 HydrophobicContact CB-CE3 3.67Å; I293-W298 HydrophobicContact CB-CG 4.11Å; I293-W298 HydrophobicContact CB-CH2 4.42Å; I293-W298 HydrophobicContact CB-CZ2 4.48Å; I293-W298 HydrophobicContact CB-CZ3 4.01Å; I293-W298 HydrophobicContact CD1-CD2 4.15Å; I293-W298 HydrophobicContact CD1-CG 4.38Å; I293-W298 HydrophobicContact CD1-CZ2 4.07Å; I293-W298 HydrophobicContact CG1-CD2 4.44Å; I293-W298 HydrophobicContact CG2-CB 4.07Å; I293-W298 HydrophobicContact CG2-CD2 4.08Å; I293-W298 HydrophobicContact CG2-CE3 4.29Å; I293-W298 HydrophobicContact CG2-CG 3.95Å
294K77.7Confident81.5Confident115 Ų11562.4 Ų62.450%0.535%0.351SS..  trans-9547.7-175.2-65.4-177.1-178.1177.10111.6Y225 T288Y225-K294 HydrophobicContact CE1-CB 4.39Å; Y225-K294 WeakPolarHBondContact OH-CB 3.45Å; T288-K294 PolarHBondContact OG1-NZ 3.4Å
295D78.3Confident80.2Confident72 Ų7264.8 Ų64.839%0.38537%0.367SS..  trans-111.6128.4178.7174.270000110.3I293 E297 W298 I299I293-D295 VanDerWaalsContact C-N 3.29Å; I293-D295 HydrophobicContact CG2-CB 3.91Å; I293-D295 PolarHBondContact O-N 2.93Å; D295-E297 VanDerWaalsContact C-N 3.33Å; D295-E297 PolarHBondContact O-N 3.28Å; D295-E297 WeakPolarHBondContact OD2-CB 3.3Å; D295-E297 PolarHBondContact OD2-N 2.7Å; D295-E297 VanDerWaalsContact OD2-N 3.14Å; D295-W298 HydrophobicContact CB-CB 4.03Å; D295-W298 PolarHBondContact O-N 3.1Å; D295-W298 PolarHBondContact OD2-N 2.66Å; D295-I299 WeakPolarHBondContact O-CD1 3.23Å; D295-I299 WeakPolarHBondContact O-CG1 3.46Å; D295-I299 PolarHBondContact O-N 3.12Å
296P78.1Confident78.7Confident47 Ų4768.5 Ų68.531%0.30540%0.395SS..Hα-helixtrans-53-42.9-178.7-30.237.2000114.7V222 I299 I300V222-P296 HydrophobicContact CG1-CB 3.83Å; P296-I299 PolarHBondContact O-N 3.09Å; P296-I300 WeakPolarHBondContact O-CG1 3.28Å; P296-I300 PolarHBondContact O-N 3.18Å
297E76.1Confident77.1Confident130 Ų13067.4 Ų67.461%0.60739%0.388SS*.Hα-helixtrans-68.9-41.1-179.1-66.3-61146.300111.4D295 I299 I300 T301D295-E297 VanDerWaalsContact C-N 3.33Å; D295-E297 PolarHBondContact O-N 3.28Å; D295-E297 WeakPolarHBondContact OD2-CB 3.3Å; D295-E297 PolarHBondContact OD2-N 2.7Å; D295-E297 VanDerWaalsContact OD2-N 3.14Å; E297-I299 VanDerWaalsContact C-N 3.34Å; E297-I299 PolarHBondContact O-N 3.44Å; E297-I300 PolarHBondContact O-N 3.32Å; E297-T301 PolarHBondContact O-N 3.05Å; E297-T301 VanDerWaalsContact O-N 3.14Å; E297-T301 PolarHBondContact O-OG1 3.36Å; E297-T301 VanDerWaalsContact O-OG1 3.04Å
298W78.3Confident75.5Confident91 Ų9164.3 Ų64.335%0.34537%0.374SS..Hα-helixtrans-65.9-36.8175-167.389.1000112.6Y280 I293 D295 T301 S302Y280-W298 HydrophobicContact CD1-CZ3 4.39Å; Y280-W298 HydrophobicContact CE1-CE3 4.44Å; Y280-W298 HydrophobicContact CE1-CH2 4.36Å; Y280-W298 AromaticContact CE1-CZ3 3.57Å; Y280-W298 HydrophobicContact CE1-CZ3 3.57Å; I293-W298 HydrophobicContact CB-CD2 3.7Å; I293-W298 HydrophobicContact CB-CE3 3.67Å; I293-W298 HydrophobicContact CB-CG 4.11Å; I293-W298 HydrophobicContact CB-CH2 4.42Å; I293-W298 HydrophobicContact CB-CZ2 4.48Å; I293-W298 HydrophobicContact CB-CZ3 4.01Å; I293-W298 HydrophobicContact CD1-CD2 4.15Å; I293-W298 HydrophobicContact CD1-CG 4.38Å; I293-W298 HydrophobicContact CD1-CZ2 4.07Å; I293-W298 HydrophobicContact CG1-CD2 4.44Å; I293-W298 HydrophobicContact CG2-CB 4.07Å; I293-W298 HydrophobicContact CG2-CD2 4.08Å; I293-W298 HydrophobicContact CG2-CE3 4.29Å; I293-W298 HydrophobicContact CG2-CG 3.95Å; D295-W298 HydrophobicContact CB-CB 4.03Å; D295-W298 PolarHBondContact O-N 3.1Å; D295-W298 PolarHBondContact OD2-N 2.66Å; W298-T301 PolarHBondContact O-N 2.82Å; W298-S302 WeakPolarHBondContact CZ3-OG 3.32Å; W298-S302 PolarHBondContact O-N 3.35Å; W298-S302 PolarHBondContact O-OG 2.82Å
299I83.3Confident73.9Confident0 Ų067.7 Ų67.70%038%0.382CS..Hα-helixtrans-64.9-43.5175.4-68.4164.5000110.6V222 Y225 Y280 F281 D295 P296 E297 T301 S302 L303V222-I299 HydrophobicContact CG2-CG2 3.84Å; Y225-I299 HydrophobicContact CD2-CD1 4.06Å; Y225-I299 HydrophobicContact CE2-CD1 3.39Å; Y280-I299 HydrophobicContact CD1-CG1 4.11Å; Y280-I299 HydrophobicContact CD2-CG2 4.33Å; Y280-I299 HydrophobicContact CG-CG1 4.16Å; Y280-I299 HydrophobicContact CG-CG2 4.24Å; F281-I299 HydrophobicContact CE2-CG2 4.35Å; F281-I299 HydrophobicContact CZ-CG2 3.82Å; D295-I299 WeakPolarHBondContact O-CD1 3.23Å; D295-I299 WeakPolarHBondContact O-CG1 3.46Å; D295-I299 PolarHBondContact O-N 3.12Å; P296-I299 PolarHBondContact O-N 3.09Å; E297-I299 VanDerWaalsContact C-N 3.34Å; E297-I299 PolarHBondContact O-N 3.44Å; I299-T301 VanDerWaalsContact C-N 3.3Å; I299-T301 PolarHBondContact O-N 3.37Å; I299-S302 PolarHBondContact O-N 3.49Å; I299-S302 VanDerWaalsContact O-N 3.15Å; I299-L303 HydrophobicContact CG2-CD1 3.6Å; I299-L303 HydrophobicContact CG2-CG 4.11Å; I299-L303 WeakPolarHBondContact O-CB 3.46Å; I299-L303 VanDerWaalsContact O-CG 3.28Å; I299-L303 WeakPolarHBondContact O-CG 3.47Å; I299-L303 PolarHBondContact O-N 3.32Å
300I80.7Confident72.4Confident30 Ų3070.8 Ų70.815%0.15439%0.394CS..Hα-helixtrans-54.8-50.5174.9-70.2166.2000109.7L214 V222 P296 E297 S302 L303 I304L214-I300 HydrophobicContact CD2-CG1 4.17Å; V222-I300 HydrophobicContact CG1-CD1 3.96Å; V222-I300 HydrophobicContact CG1-CG1 3.86Å; V222-I300 HydrophobicContact CG2-CG1 4.26Å; P296-I300 WeakPolarHBondContact O-CG1 3.28Å; P296-I300 PolarHBondContact O-N 3.18Å; E297-I300 PolarHBondContact O-N 3.32Å; I300-S302 VanDerWaalsContact C-N 3.26Å; I300-S302 PolarHBondContact O-N 3.11Å; I300-L303 PolarHBondContact O-N 2.9Å; I300-L303 VanDerWaalsContact O-N 3.14Å; I300-I304 HydrophobicContact CG2-CD1 3.6Å; I300-I304 HydrophobicContact CG2-CG1 4.34Å; I300-I304 VanDerWaalsContact O-CG1 3.25Å; I300-I304 WeakPolarHBondContact O-CG1 3.19Å; I300-I304 PolarHBondContact O-N 3.47Å
301T76.7Confident71Confident72 Ų7268.9 Ų68.944%0.44237%0.372SS..Hα-helixtrans-58.9-38.2179.5-52.90000112.1E297 W298 I299 Y309E297-T301 PolarHBondContact O-N 3.05Å; E297-T301 VanDerWaalsContact O-N 3.14Å; E297-T301 PolarHBondContact O-OG1 3.36Å; E297-T301 VanDerWaalsContact O-OG1 3.04Å; W298-T301 PolarHBondContact O-N 2.82Å; I299-T301 VanDerWaalsContact C-N 3.3Å; I299-T301 PolarHBondContact O-N 3.37Å; T301-Y309 HydrophobicContact CG2-CD2 4.44Å; T301-Y309 HydrophobicContact CG2-CE2 4.21Å
302S78.3Confident69.4Low31 Ų3167.1 Ų67.122%0.21734%0.342CS..Hα-helixtrans-74.1-27.5179-63.60000114.3Y280 W298 I299 I300Y280-S302 WeakPolarHBondContact OH-CB 3.38Å; W298-S302 WeakPolarHBondContact CZ3-OG 3.32Å; W298-S302 PolarHBondContact O-N 3.35Å; W298-S302 PolarHBondContact O-OG 2.82Å; I299-S302 PolarHBondContact O-N 3.49Å; I299-S302 VanDerWaalsContact O-N 3.15Å; I300-S302 VanDerWaalsContact C-N 3.26Å; I300-S302 PolarHBondContact O-N 3.11Å
303L81.2Confident67.8Low18 Ų1871.1 Ų71.19%0.09436%0.358CS..Hα-helixtrans-86.9-23.6-179.9-69.3175.2000113L214 A218 V222 R277 Y280 F281 I299 I300L214-L303 HydrophobicContact CD1-CB 3.76Å; L214-L303 HydrophobicContact CD1-CD1 4.32Å; A218-L303 HydrophobicContact CB-CD1 4.03Å; V222-L303 HydrophobicContact CG2-CD1 4.32Å; R277-L303 HydrophobicContact CB-CD2 4.17Å; R277-L303 HydrophobicContact CG-CD2 4.09Å; Y280-L303 HydrophobicContact CD2-CD2 4.21Å; Y280-L303 HydrophobicContact CE2-CD2 4.24Å; F281-L303 HydrophobicContact CE2-CD1 3.94Å; F281-L303 HydrophobicContact CZ-CD1 4Å; I299-L303 HydrophobicContact CG2-CD1 3.6Å; I299-L303 HydrophobicContact CG2-CG 4.11Å; I299-L303 WeakPolarHBondContact O-CB 3.46Å; I299-L303 VanDerWaalsContact O-CG 3.28Å; I299-L303 WeakPolarHBondContact O-CG 3.47Å; I299-L303 PolarHBondContact O-N 3.32Å; I300-L303 PolarHBondContact O-N 2.9Å; I300-L303 VanDerWaalsContact O-N 3.14Å
304I76Confident66.2Low20 Ų2071.5 Ų71.510%0.10336%0.356CS..SBendtrans-68.7139173.8-68.1167.3000109.5I300 Q308 L312I300-I304 HydrophobicContact CG2-CD1 3.6Å; I300-I304 HydrophobicContact CG2-CG1 4.34Å; I300-I304 VanDerWaalsContact O-CG1 3.25Å; I300-I304 WeakPolarHBondContact O-CG1 3.19Å; I300-I304 PolarHBondContact O-N 3.47Å; I304-Q308 HydrophobicContact CG2-CB 3.55Å; I304-L312 HydrophobicContact CD1-CD1 4.2Å
305S65.3Low64.5Low50 Ų5072.3 Ų72.335%0.3536%0.362SS..  trans-69.3147.1174.669.70000110.9K307 Q308 Y309S305-K307 PolarHBondContact O-N 2.9Å; S305-Q308 PolarHBondContact O-N 3.11Å; S305-Q308 WeakPolarHBondContact OG-CB 3.39Å; S305-Q308 WeakPolarHBondContact OG-CG 3.43Å; S305-Q308 PolarHBondContact OG-N 3.1Å; S305-Q308 PolarHBondContact OG-OE1 3.42Å; S305-Q308 VanDerWaalsContact OG-OE1 3.08Å; S305-Y309 PolarHBondContact O-N 3.22Å
306S58.5Low62.6Low100 Ų10075.7 Ų75.770%0.69938%0.38SS*.Hα-helixtrans-51.3-36.8176.1-40.90000112.2Y309 E310S306-Y309 PolarHBondContact O-N 3.27Å; S306-E310 WeakPolarHBondContact O-CG 2.8Å; S306-E310 PolarHBondContact O-N 3.45Å
307K52.8Low60.3Low139 Ų13977.1 Ų77.160%0.60439%0.388SS*.Hα-helixtrans-65.3-40.8176.1-171.9175-177.8172.60113.2S305 E310 V311S305-K307 PolarHBondContact O-N 2.9Å; K307-E310 PolarHBondContact O-N 3.46Å; K307-V311 VanDerWaalsContact O-CG2 3.27Å; K307-V311 WeakPolarHBondContact O-CG2 3.41Å; K307-V311 PolarHBondContact O-N 2.75Å
308Q54.6Low58Low52 Ų5280.9 Ų80.924%0.24341%0.406CS..Hα-helixtrans-72.8-32.9176-77.5168.6-38.200112I304 S305 V311 L312I304-Q308 HydrophobicContact CG2-CB 3.55Å; S305-Q308 PolarHBondContact O-N 3.11Å; S305-Q308 WeakPolarHBondContact OG-CB 3.39Å; S305-Q308 WeakPolarHBondContact OG-CG 3.43Å; S305-Q308 PolarHBondContact OG-N 3.1Å; S305-Q308 PolarHBondContact OG-OE1 3.42Å; S305-Q308 VanDerWaalsContact OG-OE1 3.08Å; Q308-V311 PolarHBondContact O-N 3.42Å; Q308-L312 WeakPolarHBondContact O-CB 3.07Å; Q308-L312 PolarHBondContact O-N 3.1Å
309Y55.8Low55.6Low120 Ų12080 Ų8047%0.47141%0.413SS..Hα-helixtrans-64.1-43171.1-175.3-96.5000111.3T301 S305 S306 L312 K313T301-Y309 HydrophobicContact CG2-CD2 4.44Å; T301-Y309 HydrophobicContact CG2-CE2 4.21Å; S305-Y309 PolarHBondContact O-N 3.22Å; S306-Y309 PolarHBondContact O-N 3.27Å; Y309-L312 WeakPolarHBondContact O-CB 3.19Å; Y309-L312 PolarHBondContact O-N 3.42Å; Y309-K313 WeakPolarHBondContact O-CB 3.36Å; Y309-K313 PolarHBondContact O-N 2.98Å
310E51.7Low52.9Low94 Ų9486.5 Ų86.544%0.43945%0.453SS..Hα-helixtrans-64.5-38.3172-69.9-56.7146.100112.2S306 K307 K313 K314S306-E310 WeakPolarHBondContact O-CG 2.8Å; S306-E310 PolarHBondContact O-N 3.45Å; K307-E310 PolarHBondContact O-N 3.46Å; E310-K313 CarbonylContact O-C 3.55Å; E310-K313 WeakPolarHBondContact O-CB 3.32Å; E310-K313 PolarHBondContact O-N 3.37Å; E310-K314 WeakPolarHBondContact O-CB 3.47Å; E310-K314 WeakPolarHBondContact O-CG 3.36Å; E310-K314 PolarHBondContact O-N 2.81Å
311V51.5Low50.5Low56 Ų5689 Ų8934%0.33947%0.473SS..Hα-helixtrans-65.5-37.5173.1169.40000111.8K307 Q308 K313 K314 H315K307-V311 VanDerWaalsContact O-CG2 3.27Å; K307-V311 WeakPolarHBondContact O-CG2 3.41Å; K307-V311 PolarHBondContact O-N 2.75Å; Q308-V311 PolarHBondContact O-N 3.42Å; V311-K313 VanDerWaalsContact C-N 3.32Å; V311-K314 CarbonylContact O-C 3.43Å; V311-K314 PolarHBondContact O-N 3.41Å; V311-H315 WeakPolarHBondContact O-CB 3.35Å; V311-H315 PolarHBondContact O-N 3.16Å
312L46.2Very low48.2Very low46 Ų4693.8 Ų93.824%0.24149%0.491CS..Hα-helixtrans-60.5-42.5170.3-96.6152.4000111.2Y213 I304 Q308 Y309 N316Y213-L312 HydrophobicContact CD1-CD1 3.69Å; Y213-L312 HydrophobicContact CD1-CD2 4.3Å; Y213-L312 HydrophobicContact CD1-CG 3.73Å; Y213-L312 HydrophobicContact CD2-CD1 4.32Å; Y213-L312 HydrophobicContact CD2-CD2 4.21Å; Y213-L312 HydrophobicContact CD2-CG 4.46Å; Y213-L312 HydrophobicContact CE1-CD1 4.08Å; Y213-L312 HydrophobicContact CE1-CD2 3.92Å; Y213-L312 HydrophobicContact CE1-CG 3.57Å; Y213-L312 HydrophobicContact CE2-CD2 3.81Å; Y213-L312 HydrophobicContact CE2-CG 4.31Å; Y213-L312 HydrophobicContact CG-CD1 3.82Å; Y213-L312 HydrophobicContact CG-CD2 4.43Å; Y213-L312 HydrophobicContact CG-CG 4.18Å; I304-L312 HydrophobicContact CD1-CD1 4.2Å; Q308-L312 WeakPolarHBondContact O-CB 3.07Å; Q308-L312 PolarHBondContact O-N 3.1Å; Y309-L312 WeakPolarHBondContact O-CB 3.19Å; Y309-L312 PolarHBondContact O-N 3.42Å; L312-N316 PolarHBondContact O-N 3.03Å
313K44.5Very low46.4Very low121 Ų12195.8 Ų95.853%0.52650%0.496SS..Hα-helixtrans-65.5-41.5176.2-156.3179.1179.6-172.30111.4Y309 E310 V311 N316 T317Y309-K313 WeakPolarHBondContact O-CB 3.36Å; Y309-K313 PolarHBondContact O-N 2.98Å; E310-K313 CarbonylContact O-C 3.55Å; E310-K313 WeakPolarHBondContact O-CB 3.32Å; E310-K313 PolarHBondContact O-N 3.37Å; V311-K313 VanDerWaalsContact C-N 3.32Å; K313-N316 PolarHBondContact O-N 3.14Å; K313-T317 PolarHBondContact O-N 2.83Å; K313-T317 PolarHBondContact O-OG1 3Å
314K44Very low44.2Very low97 Ų97101.1 Ų101.142%0.42252%0.524SS..Hα-helixtrans-72.1-37.8176.4-74.9-170175.1-162.70113.7E310 V311 N316 T317 S321E310-K314 WeakPolarHBondContact O-CB 3.47Å; E310-K314 WeakPolarHBondContact O-CG 3.36Å; E310-K314 PolarHBondContact O-N 2.81Å; V311-K314 CarbonylContact O-C 3.43Å; V311-K314 PolarHBondContact O-N 3.41Å; K314-N316 PolarHBondContact O-N 3.19Å; K314-T317 WeakPolarHBondContact CA-OG1 3.45Å; K314-T317 CarbonylContact O-C 3.47Å; K314-T317 PolarHBondContact O-N 3.33Å; K314-S321 PolarHBondContact NZ-OG 2.88Å
315H41.6Very low42.4Very low133 Ų133103.3 Ų103.362%0.61654%0.539SS*.Hα-helixtrans-66.2-27.5173.6-95.7-69.4000112.1V311 T317V311-H315 WeakPolarHBondContact O-CB 3.35Å; V311-H315 PolarHBondContact O-N 3.16Å; H315-T317 VanDerWaalsContact C-N 3.33Å
316N39.6Very low41.3Very low142 Ų142101.7 Ų101.776%0.75953%0.526SS*.THydrogen-bonded Turntrans-82.4-6.3170.1-77.6-15.5000113.8L312 K313 K314L312-N316 PolarHBondContact O-N 3.03Å; K313-N316 PolarHBondContact O-N 3.14Å; K314-N316 PolarHBondContact O-N 3.19Å
317T28.6Very low40.5Very low77 Ų7798.1 Ų98.147%0.47250%0.498SS..SBendtrans-133102.1178.447.40000109.9K313 K314 H315 S319K313-T317 PolarHBondContact O-N 2.83Å; K313-T317 PolarHBondContact O-OG1 3Å; K314-T317 WeakPolarHBondContact CA-OG1 3.45Å; K314-T317 CarbonylContact O-C 3.47Å; K314-T317 PolarHBondContact O-N 3.33Å; H315-T317 VanDerWaalsContact C-N 3.33Å; T317-S319 PolarHBondContact O-N 3.44Å
318Q27.8Very low40.2Very low210 Ų21095.4 Ų95.498%0.98149%0.49SS*.  trans-48.793.6179.2-71.4178.1-18.200112.1
319S27.9Very low39.9Very low73 Ų7394.4 Ų94.451%0.5149%0.488SS..  trans-152.791177.8171.20000108.7T317 S321T317-S319 PolarHBondContact O-N 3.44Å; S319-S321 PolarHBondContact O-N 2.81Å
320T28.4Very low39.9Very low136 Ų13689.6 Ų89.683%0.83447%0.469SS*.  trans-71.2111.3163.843.20000107.6E322T320-E322 PolarHBondContact O-N 3.31Å
321S29.7Very low40.4Very low81 Ų8189.5 Ų89.557%0.56647%0.465SS*.  trans-85.3103.4178.6-33.70000108.5K314 S319K314-S321 PolarHBondContact NZ-OG 2.88Å; S319-S321 PolarHBondContact O-N 2.81Å
322E28.7Very low41.2Very low174 Ų17487 Ų8781%0.81345%0.449SS*.  trans-79.5148.2163.8-73-179.6170.600109.9T320T320-E322 PolarHBondContact O-N 3.31Å
323Q40.9Very low41.9Very low73 Ų7387.6 Ų87.634%0.34145%0.451SS..  trans-77.7122.9-178175.6168.9-24.300110.1T325 T404 H499Q323-T325 HydrophobicContact CG-CG2 4.36Å; Q323-T404 HydrophobicContact CG-CG2 4.24Å; Q323-H499 PolarHBondContact NE2-CD2 3.17Å; Q323-H499 PolarHBondContact NE2-NE2 3.26Å; Q323-H499 PolarHBondContact OE1-NE2 3.49Å
324L34.8Very low42.9Very low129 Ų12986 Ų8668%0.67545%0.445SS*.  trans-106.3114.8176.9-72.4168.7000108.7T360L324-T360 HydrophobicContact CB-CG2 3.56Å; L324-T360 HydrophobicContact CD1-CG2 4.18Å; L324-T360 HydrophobicContact CD2-CG2 4.01Å; L324-T360 HydrophobicContact CG-CG2 4.11Å
325T36.4Very low44.5Very low67 Ų6781.3 Ų81.341%0.41143%0.425SS..  trans-93.7134-171.837.20000112.6Q323Q323-T325 HydrophobicContact CG-CG2 4.36Å
326L42.4Very low46.4Very low16 Ų1675.9 Ų75.98%0.08440%0.399CS..SBendtrans-100.7-2.7166.2-162.6123.1000115.2I355 T357 E409L326-I355 HydrophobicContact CD1-CG2 3.88Å; L326-I355 HydrophobicContact CD2-CG2 4.13Å; L326-T357 HydrophobicContact CB-CG2 3.68Å; L326-T357 HydrophobicContact CD1-CG2 3.43Å; L326-T357 VanDerWaalsContact CD1-CG2 3.43Å; L326-T357 HydrophobicContact CG-CG2 3.29Å; L326-E409 HydrophobicContact CB-CG 3.72Å; L326-E409 WeakPolarHBondContact CB-OE1 3.18Å; L326-E409 HydrophobicContact CD1-CG 3.88Å; L326-E409 HydrophobicContact CD2-CB 4.35Å; L326-E409 HydrophobicContact CD2-CG 3.26Å; L326-E409 HydrophobicContact CG-CG 3.72Å
327F43.1Very low48.4Very low24 Ų2470.5 Ų70.511%0.10537%0.373CS..  trans-117.798.7-179.6-54.7-76.3000107.6V329 A335 F338 F401 K408 E409 L412F327-V329 PolarHBondContact O-N 2.84Å; F327-A335 HydrophobicContact CD1-CB 4.26Å; F327-F338 HydrophobicContact CD1-CB 4.27Å; F327-F338 HydrophobicContact CE1-CB 3.5Å; F327-F338 HydrophobicContact CE1-CD1 4.3Å; F327-F338 HydrophobicContact CE1-CD2 4.21Å; F327-F338 AromaticContact CE1-CG 3.75Å; F327-F338 HydrophobicContact CE1-CG 3.75Å; F327-F338 HydrophobicContact CZ-CB 4.4Å; F327-F338 HydrophobicContact CZ-CD2 4.31Å; F327-F338 HydrophobicContact CZ-CG 4.24Å; F327-F401 HydrophobicContact CB-CE2 4.19Å; F327-F401 HydrophobicContact CB-CZ 3.79Å; F327-F401 AromaticContact CD1-CD2 3.85Å; F327-F401 HydrophobicContact CD1-CD2 3.85Å; F327-F401 AromaticContact CD1-CE2 2.98Å; F327-F401 HydrophobicContact CD1-CE2 2.98Å; F327-F401 AromaticContact CD1-CZ 3.48Å; F327-F401 HydrophobicContact CD1-CZ 3.48Å; F327-F401 VanDerWaalsContact CD1-CZ 3.48Å; F327-F401 HydrophobicContact CD2-CD2 4.35Å; F327-F401 HydrophobicContact CD2-CE2 4.03Å; F327-F401 HydrophobicContact CD2-CZ 4.31Å; F327-F401 AromaticContact CE1-CD2 3.52Å; F327-F401 HydrophobicContact CE1-CD2 3.52Å; F327-F401 AromaticContact CE1-CE2 3.08Å; F327-F401 HydrophobicContact CE1-CE2 3.08Å; F327-F401 HydrophobicContact CE1-CZ 4.05Å; F327-F401 HydrophobicContact CE2-CD2 4.18Å; F327-F401 HydrophobicContact CE2-CE2 4.19Å; F327-F401 HydrophobicContact CG-CD2 4.2Å; F327-F401 HydrophobicContact CG-CE1 4.48Å; F327-F401 AromaticContact CG-CE2 3.44Å; F327-F401 HydrophobicContact CG-CE2 3.44Å; F327-F401 VanDerWaalsContact CG-CE2 3.44Å; F327-F401 AromaticContact CG-CZ 3.56Å; F327-F401 HydrophobicContact CG-CZ 3.56Å; F327-F401 AromaticContact CZ-CD2 3.71Å; F327-F401 HydrophobicContact CZ-CD2 3.71Å; F327-F401 AromaticContact CZ-CE2 3.73Å; F327-F401 HydrophobicContact CZ-CE2 3.73Å; F327-K408 HydrophobicContact CE2-CD 4.33Å; F327-K408 HydrophobicContact CE2-CG 4.48Å; F327-E409 HydrophobicContact CE2-CG 4.23Å; F327-E409 WeakPolarHBondContact CE2-OE1 3.45Å; F327-E409 HydrophobicContact CZ-CG 4.07Å; F327-L412 HydrophobicContact CZ-CD1 4.06Å
328D44.9Very low51.3Low83 Ų8366.8 Ų66.844%0.44435%0.35SS..SBendtrans-64.913.4161.1-56.9-30.2000111.4
329V48.9Very low54.3Low31 Ų3156.8 Ų56.819%0.18830%0.304CS..  trans-144.6123.8-168.1-152.60000111.8F327 H334 F401F327-V329 PolarHBondContact O-N 2.84Å; V329-H334 HydrophobicContact CB-CB 4.37Å; V329-H334 HydrophobicContact CG1-CB 3.14Å; V329-H334 WeakPolarHBondContact CG1-O 3.42Å; V329-F401 VanDerWaalsContact O-CZ 3.29Å; V329-F401 WeakPolarHBondContact O-CZ 3.49Å
330E56.6Low57.2Low18 Ų1853.9 Ų53.98%0.08428%0.283CS..SBendtrans-87.9-23.8-162-78.6-170.5-174.600115.4Y402 Y474 L501 E514E330-Y402 WeakPolarHBondContact O-CE1 3.17Å; E330-Y474 HydrophobicContact CB-CE1 4.11Å; E330-Y474 HydrophobicContact CB-CE2 3.98Å; E330-Y474 VanDerWaalsContact CB-CZ 3.44Å; E330-Y474 WeakPolarHBondContact CB-OH 3.25Å; E330-Y474 HydrophobicContact CG-CE2 3.49Å; E330-Y474 VanDerWaalsContact CG-CE2 3.49Å; E330-Y474 VanDerWaalsContact CG-CZ 3.49Å; E330-Y474 VanDerWaalsContact CG-OH 3.28Å; E330-Y474 WeakPolarHBondContact CG-OH 3.37Å; E330-Y474 WeakPolarHBondContact O-CE1 3.36Å; E330-Y474 PolarHBondContact OE2-OH 2.79Å; E330-L501 WeakPolarHBondContact OE1-CD2 3.31Å; E330-L501 WeakPolarHBondContact OE1-CG 3.27Å; E330-L501 WeakPolarHBondContact OE2-CD2 3.32Å; E330-E514 VanDerWaalsContact CB-OE1 3.31Å; E330-E514 WeakPolarHBondContact CB-OE1 3.27Å; E330-E514 VanDerWaalsContact CD-CG 3.44Å; E330-E514 HydrophobicContact CG-CG 4.03Å; E330-E514 VanDerWaalsContact CG-OE1 3.28Å; E330-E514 WeakPolarHBondContact CG-OE1 3.36Å; E330-E514 PolarHBondContact N-OE1 2.89Å; E330-E514 WeakPolarHBondContact OE1-CB 3.47Å; E330-E514 WeakPolarHBondContact OE1-CG 3.3Å
331R62.1Low60.1Low93 Ų9348 Ų4835%0.35125%0.247SC..SBendtrans-101.9135.4171.3-58.8-173.2176.7-175.20.3109E333 H334 A335R331-E333 HydrophobicContact CB-CG 3.82Å; R331-E333 WeakPolarHBondContact CD-OE1 3.47Å; R331-E333 IonicContact CZ-OE1 3.85Å; R331-E333 IonicContact NE-OE1 2.77Å; R331-E333 IonicContact NH1-OE1 3.57Å; R331-E333 PolarHBondContact NH1-OE1 2.84Å; R331-E333 PolarHBondContact O-N 2.88Å; R331-H334 PolarHBondContact O-N 3.04Å; R331-A335 PolarHBondContact O-N 2.86Å
332F67.5Low63.1Low2 Ų244.3 Ų44.31%0.00922%0.221CC..G310 helixtrans-54.8-29.6174.7-175.5-122.6000112.5H334 A335 M339 Y382 F394 I397 Q398 F401 Y402F332-H334 VanDerWaalsContact C-N 3.26Å; F332-H334 PolarHBondContact O-N 2.85Å; F332-A335 PolarHBondContact O-N 3.15Å; F332-M339 HydrophobicContact CD2-CE 4.28Å; F332-M339 HydrophobicContact CE1-CE 3.92Å; F332-M339 HydrophobicContact CE2-CE 3.56Å; F332-M339 HydrophobicContact CZ-CE 3.34Å; F332-Y382 HydrophobicContact CD1-CD2 4.34Å; F332-Y382 AromaticContact CD1-CE2 3.86Å; F332-Y382 HydrophobicContact CD1-CE2 3.86Å; F332-Y382 HydrophobicContact CE1-CD2 4.4Å; F332-Y382 HydrophobicContact CE1-CE2 4.24Å; F332-F394 HydrophobicContact CD1-CE1 4.41Å; F332-F394 HydrophobicContact CD1-CE2 4.48Å; F332-F394 AromaticContact CD1-CZ 3.98Å; F332-F394 HydrophobicContact CD1-CZ 3.98Å; F332-F394 HydrophobicContact CE1-CE1 4.46Å; F332-F394 AromaticContact CE1-CE2 3.84Å; F332-F394 HydrophobicContact CE1-CE2 3.84Å; F332-F394 AromaticContact CE1-CZ 3.8Å; F332-F394 HydrophobicContact CE1-CZ 3.8Å; F332-I397 HydrophobicContact CE1-CG2 4.3Å; F332-I397 HydrophobicContact CE2-CG2 4.15Å; F332-I397 HydrophobicContact CZ-CG2 3.58Å; F332-Q398 HydrophobicContact CB-CB 4.39Å; F332-Q398 HydrophobicContact CB-CG 3.8Å; F332-Q398 HydrophobicContact CD1-CB 3.79Å; F332-Q398 HydrophobicContact CD1-CG 4.05Å; F332-Q398 HydrophobicContact CE1-CB 4.34Å; F332-Q398 HydrophobicContact CG-CB 4.17Å; F332-Q398 HydrophobicContact CG-CG 4.14Å; F332-F401 HydrophobicContact CB-CD1 4.1Å; F332-F401 HydrophobicContact CB-CE1 4.45Å; F332-F401 HydrophobicContact CB-CG 4.29Å; F332-F401 HydrophobicContact CD2-CB 3.7Å; F332-F401 HydrophobicContact CD2-CD1 4.15Å; F332-F401 AromaticContact CD2-CD2 3.43Å; F332-F401 HydrophobicContact CD2-CD2 3.43Å; F332-F401 VanDerWaalsContact CD2-CD2 3.43Å; F332-F401 AromaticContact CD2-CE2 3.92Å; F332-F401 HydrophobicContact CD2-CE2 3.92Å; F332-F401 AromaticContact CD2-CG 3.52Å; F332-F401 HydrophobicContact CD2-CG 3.52Å; F332-F401 HydrophobicContact CE2-CB 4.19Å; F332-F401 AromaticContact CE2-CD2 3.95Å; F332-F401 HydrophobicContact CE2-CD2 3.95Å; F332-F401 HydrophobicContact CE2-CG 4.28Å; F332-F401 HydrophobicContact CG-CB 4.42Å; F332-F401 HydrophobicContact CG-CG 4.32Å; F332-Y402 PolarHBondContact N-OH 3.18Å
333E60.5Low66.1Low60 Ų6037.2 Ų37.228%0.2819%0.188SC..G310 helixtrans-64.2-26.7174.477.1-172.2155.800113.8R331 K336 Y382R331-E333 HydrophobicContact CB-CG 3.82Å; R331-E333 WeakPolarHBondContact CD-OE1 3.47Å; R331-E333 IonicContact CZ-OE1 3.85Å; R331-E333 IonicContact NE-OE1 2.77Å; R331-E333 IonicContact NH1-OE1 3.57Å; R331-E333 PolarHBondContact NH1-OE1 2.84Å; R331-E333 PolarHBondContact O-N 2.88Å; E333-K336 WeakPolarHBondContact O-CE 3.24Å; E333-K336 PolarHBondContact O-NZ 3.13Å; E333-Y382 VanDerWaalsContact CA-CE2 3.4Å; E333-Y382 HydrophobicContact CB-CE1 3.95Å; E333-Y382 HydrophobicContact CB-CE2 3.85Å
334H67.3Low68.5Low86 Ų8636.1 Ų36.140%0.39818%0.181SC..G310 helixtrans-102.91.7-177.2-59.8-55.5000113V329 R331 F332 K336V329-H334 HydrophobicContact CB-CB 4.37Å; V329-H334 HydrophobicContact CG1-CB 3.14Å; V329-H334 WeakPolarHBondContact CG1-O 3.42Å; R331-H334 PolarHBondContact O-N 3.04Å; F332-H334 VanDerWaalsContact C-N 3.26Å; F332-H334 PolarHBondContact O-N 2.85Å; H334-K336 WeakPolarHBondContact O-CG 3.46Å; H334-K336 PolarHBondContact O-N 2.75Å
335A77.4Confident71.2Confident0 Ų030.2 Ų30.20%015%0.15CC..  trans-68.657.917700000114.2F327 R331 F332 S337 F338 M339 F401F327-A335 HydrophobicContact CD1-CB 4.26Å; R331-A335 PolarHBondContact O-N 2.86Å; F332-A335 PolarHBondContact O-N 3.15Å; A335-S337 VanDerWaalsContact C-N 3.34Å; A335-S337 PolarHBondContact O-N 2.92Å; A335-F338 PolarHBondContact O-N 2.84Å; A335-M339 VanDerWaalsContact O-CG 3.23Å; A335-M339 WeakPolarHBondContact O-CG 3.46Å; A335-M339 PolarHBondContact O-N 3.3Å; A335-F401 HydrophobicContact CB-CD2 4.41Å; A335-F401 HydrophobicContact CB-CE2 3.34Å; A335-F401 HydrophobicContact CB-CZ 3.62Å
336K80.6Confident73.9Confident18 Ų1830.3 Ų30.38%0.07815%0.145CC..Hα-helixtrans-68-32.3-171.3-58.8-44.4-178.1-160.50113.2E333 H334 M339 T340 T373 L375 E379E333-K336 WeakPolarHBondContact O-CE 3.24Å; E333-K336 PolarHBondContact O-NZ 3.13Å; H334-K336 WeakPolarHBondContact O-CG 3.46Å; H334-K336 PolarHBondContact O-N 2.75Å; K336-M339 PolarHBondContact O-N 2.79Å; K336-T340 WeakPolarHBondContact O-CB 3.28Å; K336-T340 PolarHBondContact O-N 3.37Å; K336-T340 PolarHBondContact O-OG1 2.9Å; K336-T373 HydrophobicContact CB-CG2 4.03Å; K336-L375 HydrophobicContact CB-CD2 3.77Å; K336-L375 HydrophobicContact CG-CD2 3.83Å; K336-E379 WeakPolarHBondContact CE-OE2 3.42Å; K336-E379 VanDerWaalsContact NZ-CA 3.31Å; K336-E379 IonicContact NZ-OE2 3.25Å; K336-E379 PolarHBondContact NZ-OE2 3.15Å
337S82.9Confident76.2Confident29 Ų2936.3 Ų36.320%0.20317%0.167CC..Hα-helixtrans-59.3-56.9174.553.50000110.7A335 M339 T340 V341 T373A335-S337 VanDerWaalsContact C-N 3.34Å; A335-S337 PolarHBondContact O-N 2.92Å; S337-M339 VanDerWaalsContact C-N 3.35Å; S337-M339 PolarHBondContact O-N 3.33Å; S337-T340 WeakPolarHBondContact O-CA 3.38Å; S337-T340 VanDerWaalsContact O-CB 3.28Å; S337-T340 WeakPolarHBondContact O-CB 3.5Å; S337-T340 PolarHBondContact O-N 2.82Å; S337-V341 PolarHBondContact O-N 3.23Å; S337-V341 VanDerWaalsContact O-N 3.11Å; S337-T373 WeakPolarHBondContact CA-OG1 3.47Å; S337-T373 VanDerWaalsContact CB-OG1 3.27Å; S337-T373 WeakPolarHBondContact CB-OG1 3.25Å
338F88Confident78.4Confident0 Ų038.2 Ų38.20%018%0.176CC..Hα-helixtrans-61.4-40.6177.6178.4-107000112.9F327 A335 T340 V341 V342 E409 L412 I416F327-F338 HydrophobicContact CD1-CB 4.27Å; F327-F338 HydrophobicContact CE1-CB 3.5Å; F327-F338 HydrophobicContact CE1-CD1 4.3Å; F327-F338 HydrophobicContact CE1-CD2 4.21Å; F327-F338 AromaticContact CE1-CG 3.75Å; F327-F338 HydrophobicContact CE1-CG 3.75Å; F327-F338 HydrophobicContact CZ-CB 4.4Å; F327-F338 HydrophobicContact CZ-CD2 4.31Å; F327-F338 HydrophobicContact CZ-CG 4.24Å; A335-F338 PolarHBondContact O-N 2.84Å; F338-T340 PolarHBondContact O-N 3.34Å; F338-V341 WeakPolarHBondContact O-CB 3.35Å; F338-V341 PolarHBondContact O-N 2.98Å; F338-V341 VanDerWaalsContact O-N 3.09Å; F338-V342 HydrophobicContact CD1-CG2 4.1Å; F338-V342 HydrophobicContact CE1-CG2 3.68Å; F338-V342 HydrophobicContact CE2-CG2 4.27Å; F338-V342 HydrophobicContact CZ-CG2 3.76Å; F338-V342 WeakPolarHBondContact O-CG2 3.41Å; F338-V342 PolarHBondContact O-N 3.09Å; F338-E409 HydrophobicContact CD2-CB 4.38Å; F338-E409 HydrophobicContact CE2-CB 4.2Å; F338-E409 WeakPolarHBondContact CE2-O 3.29Å; F338-L412 HydrophobicContact CE1-CB 4.09Å; F338-L412 HydrophobicContact CE1-CD1 4.41Å; F338-L412 HydrophobicContact CE2-CB 4.25Å; F338-L412 HydrophobicContact CZ-CB 3.5Å; F338-L412 HydrophobicContact CZ-CD1 4.32Å; F338-I416 HydrophobicContact CE1-CD1 3.87Å; F338-I416 HydrophobicContact CZ-CD1 4.15Å
339M90.3Very high80.4Confident0 Ų042.8 Ų42.80%019%0.192CC..Hα-helixtrans-63-29.3175.2-66.7-70.4166.400112.7F332 A335 K336 S337 D343 G378 I381 Y382 L385F332-M339 HydrophobicContact CD2-CE 4.28Å; F332-M339 HydrophobicContact CE1-CE 3.92Å; F332-M339 HydrophobicContact CE2-CE 3.56Å; F332-M339 HydrophobicContact CZ-CE 3.34Å; A335-M339 VanDerWaalsContact O-CG 3.23Å; A335-M339 WeakPolarHBondContact O-CG 3.46Å; A335-M339 PolarHBondContact O-N 3.3Å; K336-M339 PolarHBondContact O-N 2.79Å; S337-M339 VanDerWaalsContact C-N 3.35Å; S337-M339 PolarHBondContact O-N 3.33Å; M339-D343 PolarHBondContact O-N 3.28Å; M339-G378 WeakPolarHBondContact CB-O 3.2Å; M339-I381 HydrophobicContact CB-CB 4.46Å; M339-I381 HydrophobicContact CB-CG2 4.44Å; M339-I381 HydrophobicContact SD-CG2 3.97Å; M339-Y382 HydrophobicContact CE-CD2 3.94Å; M339-L385 HydrophobicContact CE-CD1 4.43Å; M339-L385 HydrophobicContact SD-CD1 3.92Å
340T89.5Confident82.2Confident11 Ų1147.6 Ų47.67%0.06721%0.212CC..Hα-helixtrans-69.8-40172.9-55.60000111.1K336 S337 F338 D343 R344 I371 N374K336-T340 WeakPolarHBondContact O-CB 3.28Å; K336-T340 PolarHBondContact O-N 3.37Å; K336-T340 PolarHBondContact O-OG1 2.9Å; S337-T340 WeakPolarHBondContact O-CA 3.38Å; S337-T340 VanDerWaalsContact O-CB 3.28Å; S337-T340 WeakPolarHBondContact O-CB 3.5Å; S337-T340 PolarHBondContact O-N 2.82Å; F338-T340 PolarHBondContact O-N 3.34Å; T340-D343 WeakPolarHBondContact O-CB 3.48Å; T340-D343 PolarHBondContact O-N 3.2Å; T340-R344 WeakPolarHBondContact O-CB 3.23Å; T340-R344 PolarHBondContact O-N 3.14Å; T340-I371 HydrophobicContact CG2-CG2 4Å; T340-N374 HydrophobicContact CG2-CB 4.26Å; T340-N374 PolarHBondContact OG1-N 2.71Å; T340-N374 PolarHBondContact OG1-O 2.86Å
341V89.8Confident83.7Confident14 Ų1449.7 Ų49.79%0.08522%0.221CC..Hα-helixtrans-63.7-42.3173.5179.60000111.2S337 F338 R344 S345 I355 I371S337-V341 PolarHBondContact O-N 3.23Å; S337-V341 VanDerWaalsContact O-N 3.11Å; F338-V341 WeakPolarHBondContact O-CB 3.35Å; F338-V341 PolarHBondContact O-N 2.98Å; F338-V341 VanDerWaalsContact O-N 3.09Å; V341-R344 PolarHBondContact O-N 3.21Å; V341-S345 WeakPolarHBondContact O-CB 3.47Å; V341-S345 PolarHBondContact O-N 2.96Å; V341-S345 PolarHBondContact O-OG 3.36Å; V341-I355 HydrophobicContact CG1-CD1 3.82Å; V341-I355 HydrophobicContact CG1-CG1 4.26Å; V341-I355 HydrophobicContact CG1-CG2 4.44Å; V341-I355 HydrophobicContact CG2-CG2 4.49Å; V341-I371 HydrophobicContact CG2-CD1 4.19Å
342V92.2Very high84.8Confident3 Ų347.3 Ų47.32%0.01822%0.218CC..Hα-helixtrans-58.7-53173.4173.20000110.1F338 R344 S345 F346 I381 L385 L413 I416F338-V342 HydrophobicContact CD1-CG2 4.1Å; F338-V342 HydrophobicContact CE1-CG2 3.68Å; F338-V342 HydrophobicContact CE2-CG2 4.27Å; F338-V342 HydrophobicContact CZ-CG2 3.76Å; F338-V342 WeakPolarHBondContact O-CG2 3.41Å; F338-V342 PolarHBondContact O-N 3.09Å; V342-R344 VanDerWaalsContact C-N 3.3Å; V342-R344 PolarHBondContact O-N 3.28Å; V342-S345 PolarHBondContact O-N 3.49Å; V342-F346 HydrophobicContact CG1-CD2 3.77Å; V342-F346 HydrophobicContact CG1-CE2 3.86Å; V342-F346 VanDerWaalsContact O-CD2 3.26Å; V342-F346 WeakPolarHBondContact O-CD2 3.3Å; V342-F346 PolarHBondContact O-N 2.76Å; V342-F346 VanDerWaalsContact O-N 3.11Å; V342-I381 HydrophobicContact CG1-CG2 4.09Å; V342-L385 HydrophobicContact CG1-CD1 4.45Å; V342-L413 HydrophobicContact CB-CD1 4.46Å; V342-L413 HydrophobicContact CG2-CD1 4.01Å; V342-I416 HydrophobicContact CG1-CD1 4.36Å; V342-I416 HydrophobicContact CG1-CG2 4.32Å; V342-I416 HydrophobicContact CG2-CD1 3.79Å
343D92.3Very high85.4Confident24 Ų2453.6 Ų53.613%0.12826%0.256CS..Hα-helixtrans-50.5-51.2178-171.954.5000111.8M339 T340 F346 R347 R377 I381M339-D343 PolarHBondContact O-N 3.28Å; T340-D343 WeakPolarHBondContact O-CB 3.48Å; T340-D343 PolarHBondContact O-N 3.2Å; D343-F346 PolarHBondContact O-N 3.39Å; D343-R347 VanDerWaalsContact O-CB 3.23Å; D343-R347 WeakPolarHBondContact O-CB 3.33Å; D343-R347 PolarHBondContact O-N 3.32Å; D343-R377 IonicContact OD2-NH1 2.76Å; D343-I381 HydrophobicContact CB-CD1 4.25Å; D343-I381 HydrophobicContact CB-CG1 3.89Å; D343-I381 WeakPolarHBondContact OD1-CD1 3.44Å
344R90.3Very high86.4Confident50 Ų5057.1 Ų57.119%0.18927%0.274CS..Hα-helixtrans-63.9-47.3-177-172.2173.2-177.3169.9-2.8111.7T340 V341 V342 F346 R347 E348 E369T340-R344 WeakPolarHBondContact O-CB 3.23Å; T340-R344 PolarHBondContact O-N 3.14Å; V341-R344 PolarHBondContact O-N 3.21Å; V342-R344 VanDerWaalsContact C-N 3.3Å; V342-R344 PolarHBondContact O-N 3.28Å; R344-F346 VanDerWaalsContact C-N 3.31Å; R344-F346 PolarHBondContact O-N 2.96Å; R344-R347 PolarHBondContact O-N 3.13Å; R344-E348 HydrophobicContact CG-CG 4.5Å; R344-E348 IonicContact CZ-OE1 2.7Å; R344-E348 IonicContact CZ-OE2 3.7Å; R344-E348 IonicContact NE-OE1 3.8Å; R344-E348 PolarHBondContact NE-OE1 2.96Å; R344-E348 IonicContact NE-OE2 3.15Å; R344-E348 PolarHBondContact NE-OE2 3.37Å; R344-E348 IonicContact NH2-OE1 2.83Å; R344-E348 IonicContact NH2-OE2 3.06Å; R344-E348 PolarHBondContact NH2-OE2 2.96Å; R344-E348 WeakPolarHBondContact O-CB 3.31Å; R344-E348 PolarHBondContact O-N 3.38Å; R344-E369 IonicContact CZ-OE1 3.21Å; R344-E369 IonicContact CZ-OE2 2.64Å; R344-E369 VanDerWaalsContact NH1-CD 3.3Å; R344-E369 IonicContact NH1-OE1 2.87Å; R344-E369 PolarHBondContact NH1-OE1 2.84Å; R344-E369 IonicContact NH1-OE2 3.18Å; R344-E369 IonicContact NH2-OE1 2.66Å; R344-E369 PolarHBondContact NH2-OE1 3.27Å; R344-E369 IonicContact NH2-OE2 3.44Å; R344-E369 PolarHBondContact NH2-OE2 3.5Å
345S92Very high87.1Confident5 Ų554 Ų544%0.03526%0.261CS..Hα-helixtrans-58.2-44.1-178.7-56.60000111.7V341 V342 K349 Q350V341-S345 WeakPolarHBondContact O-CB 3.47Å; V341-S345 PolarHBondContact O-N 2.96Å; V341-S345 PolarHBondContact O-OG 3.36Å; V342-S345 PolarHBondContact O-N 3.49Å; S345-K349 VanDerWaalsContact O-CA 3.25Å; S345-K349 WeakPolarHBondContact O-CA 3.37Å; S345-K349 PolarHBondContact O-N 3.16Å; S345-Q350 VanDerWaalsContact CA-O 3.28Å; S345-Q350 WeakPolarHBondContact CA-O 3.31Å; S345-Q350 PolarHBondContact O-N 3.32Å
346F92.4Very high87.2Confident69 Ų6957.6 Ų57.630%0.30328%0.279SS..Hα-helixtrans-73.3-34.4177.9-79.3-79.4000113.5V342 D343 R344 F351 L413 I416 E417 L420V342-F346 HydrophobicContact CG1-CD2 3.77Å; V342-F346 HydrophobicContact CG1-CE2 3.86Å; V342-F346 VanDerWaalsContact O-CD2 3.26Å; V342-F346 WeakPolarHBondContact O-CD2 3.3Å; V342-F346 PolarHBondContact O-N 2.76Å; V342-F346 VanDerWaalsContact O-N 3.11Å; D343-F346 PolarHBondContact O-N 3.39Å; R344-F346 VanDerWaalsContact C-N 3.31Å; R344-F346 PolarHBondContact O-N 2.96Å; F346-F351 HydrophobicContact CD1-CZ 4.2Å; F346-F351 HydrophobicContact CE1-CE1 4.26Å; F346-F351 HydrophobicContact CE1-CZ 4.18Å; F346-F351 HydrophobicContact CE2-CE1 4.36Å; F346-F351 HydrophobicContact CZ-CE1 4.17Å; F346-L413 HydrophobicContact CE2-CD1 3.99Å; F346-I416 HydrophobicContact CE2-CG2 3.77Å; F346-I416 HydrophobicContact CZ-CG2 3.95Å; F346-E417 HydrophobicContact CE1-CB 4.39Å; F346-E417 HydrophobicContact CE1-CG 4.39Å; F346-E417 HydrophobicContact CZ-CB 3.95Å; F346-E417 HydrophobicContact CZ-CG 4.43Å; F346-L420 HydrophobicContact CD1-CD1 4.39Å; F346-L420 HydrophobicContact CE1-CD1 3.74Å; F346-L420 HydrophobicContact CE2-CD1 4.26Å; F346-L420 HydrophobicContact CZ-CD1 3.69Å
347R91.2Very high86.6Confident142 Ų14257.1 Ų57.154%0.53628%0.278SS..Hα-helixtrans-72.2-44.1-179.9-179.5172.15883.413112.4D343 R344D343-R347 VanDerWaalsContact O-CB 3.23Å; D343-R347 WeakPolarHBondContact O-CB 3.33Å; D343-R347 PolarHBondContact O-N 3.32Å; R344-R347 PolarHBondContact O-N 3.13Å
348E89.3Confident85.9Confident65 Ų6559.9 Ų59.930%0.30430%0.295SS..Hα-helixtrans-89-9.1-178-70.5168.1-158.200112.3R344 Q350R344-E348 HydrophobicContact CG-CG 4.5Å; R344-E348 IonicContact CZ-OE1 2.7Å; R344-E348 IonicContact CZ-OE2 3.7Å; R344-E348 IonicContact NE-OE1 3.8Å; R344-E348 PolarHBondContact NE-OE1 2.96Å; R344-E348 IonicContact NE-OE2 3.15Å; R344-E348 PolarHBondContact NE-OE2 3.37Å; R344-E348 IonicContact NH2-OE1 2.83Å; R344-E348 IonicContact NH2-OE2 3.06Å; R344-E348 PolarHBondContact NH2-OE2 2.96Å; R344-E348 WeakPolarHBondContact O-CB 3.31Å; R344-E348 PolarHBondContact O-N 3.38Å; E348-Q350 HydrophobicContact CB-CB 4.42Å; E348-Q350 HydrophobicContact CB-CG 4.43Å; E348-Q350 PolarHBondContact O-N 3.34Å
349K87.7Confident84.6Confident178 Ų17864.9 Ų64.977%0.77432%0.319SS*.THydrogen-bonded Turntrans53.732.7-172.5-58.5-177.2179-179.30112.3S345S345-K349 VanDerWaalsContact O-CA 3.25Å; S345-K349 WeakPolarHBondContact O-CA 3.37Å; S345-K349 PolarHBondContact O-N 3.16Å
350Q85.9Confident83.5Confident132 Ų13266.3 Ų66.362%0.61733%0.327SS*.  trans-116.4114.7176.9-70.2-173.3-7.400108.3S345 E348S345-Q350 VanDerWaalsContact CA-O 3.28Å; S345-Q350 WeakPolarHBondContact CA-O 3.31Å; S345-Q350 PolarHBondContact O-N 3.32Å; E348-Q350 HydrophobicContact CB-CB 4.42Å; E348-Q350 HydrophobicContact CB-CG 4.43Å; E348-Q350 PolarHBondContact O-N 3.34Å
351F88Confident82.5Confident62 Ų6267.7 Ų67.727%0.27234%0.34SS..  trans-107.4110.4-176.1-66.9-93.4000109.5F346 R410 L413F346-F351 HydrophobicContact CD1-CZ 4.2Å; F346-F351 HydrophobicContact CE1-CE1 4.26Å; F346-F351 HydrophobicContact CE1-CZ 4.18Å; F346-F351 HydrophobicContact CE2-CE1 4.36Å; F346-F351 HydrophobicContact CZ-CE1 4.17Å; F351-R410 PolarHBondContact O-NH1 2.61Å; F351-L413 HydrophobicContact CD1-CD1 4.48Å; F351-L413 HydrophobicContact CD1-CD2 3.97Å; F351-L413 HydrophobicContact CD1-CG 4.12Å
352P84.6Confident81.6Confident44 Ų4472.3 Ų72.329%0.28637%0.368SS..  trans-66.5137.9-172.928.1-35.7000110.9M354 I355 R410 L413P352-M354 PolarHBondContact O-N 2.89Å; P352-I355 HydrophobicContact CB-CG1 4.4Å; P352-I355 HydrophobicContact CG-CD1 4.15Å; P352-I355 HydrophobicContact CG-CG1 3.71Å; P352-R410 WeakPolarHBondContact O-CD 3.37Å; P352-R410 PolarHBondContact O-NH1 2.85Å; P352-L413 HydrophobicContact CG-CD2 4.37Å
353V81.1Confident80.5Confident134 Ų13481.9 Ų81.981%0.81241%0.412SS*.SBendtrans-63.2-33.2177.4179.70000111.2
354M80.9Confident79.4Confident133 Ų13383.8 Ų83.866%0.65543%0.428SS*.  trans-143.2145-178.9-172.4177.1-70.300109.5P352 L356P352-M354 PolarHBondContact O-N 2.89Å; M354-L356 HydrophobicContact CG-CD2 3.94Å; M354-L356 HydrophobicContact CG-CG 4.16Å; M354-L356 HydrophobicContact SD-CD1 4.4Å; M354-L356 HydrophobicContact SD-CD2 3.75Å; M354-L356 HydrophobicContact SD-CG 4.22Å
355I83.3Confident78.8Confident22 Ų2290.1 Ų90.111%0.11346%0.464CS..  trans-120.3127.8176.3-57.3166.5000106.2L326 V341 P352 E409 L413L326-I355 HydrophobicContact CD1-CG2 3.88Å; L326-I355 HydrophobicContact CD2-CG2 4.13Å; V341-I355 HydrophobicContact CG1-CD1 3.82Å; V341-I355 HydrophobicContact CG1-CG1 4.26Å; V341-I355 HydrophobicContact CG1-CG2 4.44Å; V341-I355 HydrophobicContact CG2-CG2 4.49Å; P352-I355 HydrophobicContact CB-CG1 4.4Å; P352-I355 HydrophobicContact CG-CD1 4.15Å; P352-I355 HydrophobicContact CG-CG1 3.71Å; I355-E409 HydrophobicContact CB-CB 3.84Å; I355-E409 HydrophobicContact CB-CG 4.42Å; I355-E409 HydrophobicContact CD1-CB 3.79Å; I355-E409 HydrophobicContact CG1-CB 4.35Å; I355-E409 HydrophobicContact CG2-CB 4.2Å; I355-E409 HydrophobicContact CG2-CG 4.42Å; I355-L413 HydrophobicContact CD1-CD2 4.33Å
356L77.8Confident78.1Confident74 Ų7498.1 Ų98.139%0.38750%0.499SS..  trans-124.7157.2-174.8-61.9174.7000110.8M354M354-L356 HydrophobicContact CG-CD2 3.94Å; M354-L356 HydrophobicContact CG-CG 4.16Å; M354-L356 HydrophobicContact SD-CD1 4.4Å; M354-L356 HydrophobicContact SD-CD2 3.75Å; M354-L356 HydrophobicContact SD-CG 4.22Å
357T68.8Low77.5Confident8 Ų8103.8 Ų103.85%0.04952%0.523CS..  trans-103.5168.6172.750.70000113.6L326 E359 T360 A361L326-T357 HydrophobicContact CB-CG2 3.68Å; L326-T357 HydrophobicContact CD1-CG2 3.43Å; L326-T357 VanDerWaalsContact CD1-CG2 3.43Å; L326-T357 HydrophobicContact CG-CG2 3.29Å; T357-E359 WeakPolarHBondContact CB-OE2 3.45Å; T357-E359 PolarHBondContact O-N 2.87Å; T357-E359 PolarHBondContact OG1-N 2.9Å; T357-E359 PolarHBondContact OG1-OE2 3.01Å; T357-T360 PolarHBondContact N-OG1 2.91Å; T357-T360 CarbonylContact O-C 3.6Å; T357-T360 PolarHBondContact O-N 3.5Å; T357-T360 PolarHBondContact OG1-N 3.41Å; T357-T360 PolarHBondContact OG1-OG1 3.33Å; T357-A361 WeakPolarHBondContact O-CA 3.06Å; T357-A361 WeakPolarHBondContact O-CB 3.5Å; T357-A361 PolarHBondContact O-N 3.31Å
358P67.9Low76.9Confident88 Ų88100.7 Ų100.757%0.57153%0.528SS*.THydrogen-bonded Turntrans-44.5-40.7160.4-29.437.7000115W370P358-W370 HydrophobicContact CG-CH2 4.28Å; P358-W370 HydrophobicContact CG-CZ3 3.97Å
359E61.3Low76.7Confident105 Ų105102.2 Ų102.249%0.49154%0.535SS..THydrogen-bonded Turntrans-80-26.9-178.1-48.273.5-142.500113.3T357T357-E359 WeakPolarHBondContact CB-OE2 3.45Å; T357-E359 PolarHBondContact O-N 2.87Å; T357-E359 PolarHBondContact OG1-N 2.9Å; T357-E359 PolarHBondContact OG1-OE2 3.01Å
360T66.4Low76.6Confident29 Ų29101.9 Ų101.918%0.17853%0.529CS..THydrogen-bonded Turntrans-103-7.3-178.354.50000113.9L324 T357 V362L324-T360 HydrophobicContact CB-CG2 3.56Å; L324-T360 HydrophobicContact CD1-CG2 4.18Å; L324-T360 HydrophobicContact CD2-CG2 4.01Å; L324-T360 HydrophobicContact CG-CG2 4.11Å; T357-T360 PolarHBondContact N-OG1 2.91Å; T357-T360 CarbonylContact O-C 3.6Å; T357-T360 PolarHBondContact O-N 3.5Å; T357-T360 PolarHBondContact OG1-N 3.41Å; T357-T360 PolarHBondContact OG1-OG1 3.33Å; T360-V362 PolarHBondContact O-N 2.81Å; T360-V362 VanDerWaalsContact O-N 3.11Å
361A69.1Low76.5Confident40 Ų4098.5 Ų98.533%0.33152%0.515SS..  trans-66.3112.1177.800000109.2T357 W370T357-A361 WeakPolarHBondContact O-CA 3.06Å; T357-A361 WeakPolarHBondContact O-CB 3.5Å; T357-A361 PolarHBondContact O-N 3.31Å; A361-W370 HydrophobicContact CB-CH2 3.72Å; A361-W370 HydrophobicContact CB-CZ2 3.83Å
362V72Confident76.3Confident111 Ų111104.1 Ų104.167%0.67354%0.542SS*.  trans-106.6156.3169.9-65.20000109.3T360 S364T360-V362 PolarHBondContact O-N 2.81Å; T360-V362 VanDerWaalsContact O-N 3.11Å; V362-S364 PolarHBondContact O-N 3.05Å
363E68.6Low76.4Confident205 Ų205105.5 Ų105.596%0.95855%0.55SS*.  trans-57.8122.9170.1-69.2-174.8168.400109.6
364S69.7Low76.7Confident64 Ų64102.1 Ų102.145%0.44853%0.527SS..  trans-120.3142.6-175.1179.40000110.5V362 F366V362-S364 PolarHBondContact O-N 3.05Å; S364-F366 PolarHBondContact OG-N 2.64Å; S364-F366 VanDerWaalsContact OG-N 3.08Å
365L76.7Confident76.9Confident183 Ų183101.6 Ų101.696%0.95853%0.526SS*.SBendtrans-76.8-10.3170-68.2170.1000112.5
366F77Confident77Confident173 Ų173108.5 Ų108.576%0.75956%0.558SS**SBendtrans-92.9152.5178.9-60.2-79.6000111.3S364 A368S364-F366 PolarHBondContact OG-N 2.64Å; S364-F366 VanDerWaalsContact OG-N 3.08Å; F366-A368 PolarHBondContact O-N 3.44Å; F366-A368 VanDerWaalsContact O-N 3.12Å
367F79.6Confident77.4Confident187 Ų187110.9 Ų110.982%0.8256%0.562SS**  trans-57.5118.4173.7178.9-95.7000110.1E369F367-E369 HydrophobicContact CE1-CB 4.09Å; F367-E369 HydrophobicContact CZ-CB 4.36Å
368A80.3Confident78.2Confident77 Ų77110.5 Ų110.564%0.63656%0.56SS**  trans-120.5142.9175.800000109F366F366-A368 PolarHBondContact O-N 3.44Å; F366-A368 VanDerWaalsContact O-N 3.12Å
369E83.6Confident79.1Confident97 Ų97108.8 Ų108.845%0.45354%0.544SS..  trans-131.4132.5179.7-170.3-176.7171.600109.8R344 F367R344-E369 IonicContact CZ-OE1 3.21Å; R344-E369 IonicContact CZ-OE2 2.64Å; R344-E369 VanDerWaalsContact NH1-CD 3.3Å; R344-E369 IonicContact NH1-OE1 2.87Å; R344-E369 PolarHBondContact NH1-OE1 2.84Å; R344-E369 IonicContact NH1-OE2 3.18Å; R344-E369 IonicContact NH2-OE1 2.66Å; R344-E369 PolarHBondContact NH2-OE1 3.27Å; R344-E369 IonicContact NH2-OE2 3.44Å; R344-E369 PolarHBondContact NH2-OE2 3.5Å; F367-E369 HydrophobicContact CE1-CB 4.09Å; F367-E369 HydrophobicContact CZ-CB 4.36Å
370W85.3Confident80.5Confident171 Ų171109.8 Ų109.865%0.64855%0.547SS*.  trans-80.5129.5174-76.4102.2000110.9P358 A361P358-W370 HydrophobicContact CG-CH2 4.28Å; P358-W370 HydrophobicContact CG-CZ3 3.97Å; A361-W370 HydrophobicContact CB-CH2 3.72Å; A361-W370 HydrophobicContact CB-CZ2 3.83Å
371I84.3Confident81.7Confident61 Ų61109.2 Ų109.231%0.31354%0.542SS..  trans-113110.7176.9-56.9173.1000108.2T340 V341T340-I371 HydrophobicContact CG2-CG2 4Å; V341-I371 HydrophobicContact CG2-CD1 4.19Å
372E84.9Confident82.7Confident180 Ų180107.9 Ų107.984%0.84153%0.529SS*.  trans-67.6135.6173-72-174.4174.100111.3N374E372-N374 PolarHBondContact O-N 2.75Å
373T85Confident83.6Confident74 Ų74109.5 Ų109.545%0.45452%0.523SS..  trans-70125.4-179.3-66.90000111K336 S337 L375K336-T373 HydrophobicContact CB-CG2 4.03Å; S337-T373 WeakPolarHBondContact CA-OG1 3.47Å; S337-T373 VanDerWaalsContact CB-OG1 3.27Å; S337-T373 WeakPolarHBondContact CB-OG1 3.25Å; T373-L375 HydrophobicContact CG2-CD2 4.09Å
374N88Confident84.8Confident63 Ų63105.2 Ų105.234%0.33750%0.498SS..  trans-107.6103.1173.4-173.2-53.2000110.3T340 E372 E376 R377 G378T340-N374 HydrophobicContact CG2-CB 4.26Å; T340-N374 PolarHBondContact OG1-N 2.71Å; T340-N374 PolarHBondContact OG1-O 2.86Å; E372-N374 PolarHBondContact O-N 2.75Å; N374-E376 PolarHBondContact O-N 2.66Å; N374-E376 PolarHBondContact OD1-N 2.64Å; N374-R377 HydrophobicContact CB-CB 4.11Å; N374-R377 PolarHBondContact O-N 2.82Å; N374-R377 WeakPolarHBondContact OD1-CB 3.46Å; N374-R377 PolarHBondContact OD1-N 3.32Å; N374-G378 PolarHBondContact O-N 3.21Å
375L84.6Confident85.9Confident122 Ų122102.8 Ų102.864%0.63948%0.48SS*.Hα-helixtrans-58.8-46.3-174.4-61.9177.1000113.1K336 T373 G378 E379K336-L375 HydrophobicContact CB-CD2 3.77Å; K336-L375 HydrophobicContact CG-CD2 3.83Å; T373-L375 HydrophobicContact CG2-CD2 4.09Å; L375-G378 PolarHBondContact O-N 2.83Å; L375-E379 PolarHBondContact O-N 2.85Å
376E86Confident86.5Confident167 Ų167101.2 Ų101.278%0.7846%0.461SS*.Hα-helixtrans-67.1-43.7-177.1-168.2-173.1172.600111.6N374 E379 K380N374-E376 PolarHBondContact O-N 2.66Å; N374-E376 PolarHBondContact OD1-N 2.64Å; E376-E379 PolarHBondContact O-N 2.87Å; E376-K380 PolarHBondContact O-N 3.25Å
377R86.3Confident87.2Confident123 Ų123100.9 Ų100.946%0.46446%0.462SS..Hα-helixtrans-66.9-42.5175.7-76.9-169.4172.5-179.63.1112D343 N374 E379 K380 I381D343-R377 IonicContact OD2-NH1 2.76Å; N374-R377 HydrophobicContact CB-CB 4.11Å; N374-R377 PolarHBondContact O-N 2.82Å; N374-R377 WeakPolarHBondContact OD1-CB 3.46Å; N374-R377 PolarHBondContact OD1-N 3.32Å; R377-E379 VanDerWaalsContact C-N 3.29Å; R377-E379 PolarHBondContact O-N 2.87Å; R377-K380 WeakPolarHBondContact O-CB 3.49Å; R377-K380 PolarHBondContact O-N 2.94Å; R377-K380 VanDerWaalsContact O-N 3.11Å; R377-I381 WeakPolarHBondContact O-CG1 3.4Å; R377-I381 PolarHBondContact O-N 2.58Å
378G86.3Confident87.8Confident0 Ų0101 Ų1010%046%0.457CS..Hα-helixtrans-57.7-42.2176.600000112M339 N374 L375 I381 Y382M339-G378 WeakPolarHBondContact CB-O 3.2Å; N374-G378 PolarHBondContact O-N 3.21Å; L375-G378 PolarHBondContact O-N 2.83Å; G378-I381 PolarHBondContact O-N 3.15Å; G378-Y382 WeakPolarHBondContact O-CB 3.14Å; G378-Y382 PolarHBondContact O-N 2.64Å
379E86.8Confident88.4Confident52 Ų5297.8 Ų97.824%0.24343%0.429CS..Hα-helixtrans-61.1-46.3172.6179.864.7-155.300112.1K336 L375 E376 R377 I381 Y382 R383K336-E379 WeakPolarHBondContact CE-OE2 3.42Å; K336-E379 VanDerWaalsContact NZ-CA 3.31Å; K336-E379 IonicContact NZ-OE2 3.25Å; K336-E379 PolarHBondContact NZ-OE2 3.15Å; L375-E379 PolarHBondContact O-N 2.85Å; E376-E379 PolarHBondContact O-N 2.87Å; R377-E379 VanDerWaalsContact C-N 3.29Å; R377-E379 PolarHBondContact O-N 2.87Å; E379-I381 VanDerWaalsContact C-N 3.28Å; E379-I381 PolarHBondContact O-N 2.76Å; E379-Y382 PolarHBondContact O-N 2.85Å; E379-R383 WeakPolarHBondContact O-CG 3.36Å; E379-R383 PolarHBondContact O-N 2.99Å; E379-R383 IonicContact OE1-CZ 2.78Å; E379-R383 IonicContact OE1-NE 3.07Å; E379-R383 PolarHBondContact OE1-NE 3.4Å; E379-R383 IonicContact OE1-NH2 2.89Å; E379-R383 PolarHBondContact OE1-NH2 2.81Å
380K90.4Very high88.7Confident126 Ų12697.5 Ų97.555%0.54842%0.424SS..Hα-helixtrans-61.7-36178.6-171.4178.3179.3173.90112.5E376 R377 R384E376-K380 PolarHBondContact O-N 3.25Å; R377-K380 WeakPolarHBondContact O-CB 3.49Å; R377-K380 PolarHBondContact O-N 2.94Å; R377-K380 VanDerWaalsContact O-N 3.11Å; K380-R384 WeakPolarHBondContact O-CB 3.42Å; K380-R384 WeakPolarHBondContact O-CG 3.35Å; K380-R384 PolarHBondContact O-N 3.37Å; K380-R384 PolarHBondContact O-NE 2.94Å
381I91.8Very high88.9Confident17 Ų1794.3 Ų94.39%0.08743%0.425CS..Hα-helixtrans-74.3-44.1178-68.2-67.2000111.4M339 V342 D343 R377 G378 E379 R383 R384 L385M339-I381 HydrophobicContact CB-CB 4.46Å; M339-I381 HydrophobicContact CB-CG2 4.44Å; M339-I381 HydrophobicContact SD-CG2 3.97Å; V342-I381 HydrophobicContact CG1-CG2 4.09Å; D343-I381 HydrophobicContact CB-CD1 4.25Å; D343-I381 HydrophobicContact CB-CG1 3.89Å; D343-I381 WeakPolarHBondContact OD1-CD1 3.44Å; R377-I381 WeakPolarHBondContact O-CG1 3.4Å; R377-I381 PolarHBondContact O-N 2.58Å; G378-I381 PolarHBondContact O-N 3.15Å; E379-I381 VanDerWaalsContact C-N 3.28Å; E379-I381 PolarHBondContact O-N 2.76Å; I381-R383 VanDerWaalsContact C-N 3.33Å; I381-R383 PolarHBondContact O-N 3.5Å; I381-R384 PolarHBondContact O-N 3.01Å; I381-R384 VanDerWaalsContact O-N 3.13Å; I381-L385 HydrophobicContact CG2-CD1 4.05Å; I381-L385 HydrophobicContact CG2-CG 4.25Å; I381-L385 WeakPolarHBondContact O-CG 3.28Å; I381-L385 PolarHBondContact O-N 2.9Å
382Y89.7Confident89.3Confident13 Ų1395.7 Ų95.75%0.05143%0.43CS..Hα-helixtrans-52.7-50.7173.2171.3-94.6000111.7F332 E333 M339 G378 E379 R384 L385 R386 F394F332-Y382 HydrophobicContact CD1-CD2 4.34Å; F332-Y382 AromaticContact CD1-CE2 3.86Å; F332-Y382 HydrophobicContact CD1-CE2 3.86Å; F332-Y382 HydrophobicContact CE1-CD2 4.4Å; F332-Y382 HydrophobicContact CE1-CE2 4.24Å; E333-Y382 VanDerWaalsContact CA-CE2 3.4Å; E333-Y382 HydrophobicContact CB-CE1 3.95Å; E333-Y382 HydrophobicContact CB-CE2 3.85Å; M339-Y382 HydrophobicContact CE-CD2 3.94Å; G378-Y382 WeakPolarHBondContact O-CB 3.14Å; G378-Y382 PolarHBondContact O-N 2.64Å; E379-Y382 PolarHBondContact O-N 2.85Å; Y382-R384 VanDerWaalsContact C-N 3.34Å; Y382-R384 PolarHBondContact O-N 3.15Å; Y382-L385 PolarHBondContact O-N 3.11Å; Y382-R386 WeakPolarHBondContact O-CB 3.5Å; Y382-R386 PolarHBondContact O-N 2.93Å; Y382-R386 PolarHBondContact OH-NH1 3.21Å; Y382-F394 HydrophobicContact CD2-CZ 4.27Å; Y382-F394 HydrophobicContact CE2-CE2 4.29Å; Y382-F394 AromaticContact CE2-CZ 3.54Å; Y382-F394 HydrophobicContact CE2-CZ 3.54Å; Y382-F394 AromaticContact CZ-CZ 3.87Å
383R91Very high89.7Confident144 Ų14487.2 Ų87.254%0.54339%0.391SS..Hα-helixtrans-59.8-42.7177.6-69.8-177.6-171.1176.45.7112.3E379 I381 R386 Q387E379-R383 WeakPolarHBondContact O-CG 3.36Å; E379-R383 PolarHBondContact O-N 2.99Å; E379-R383 IonicContact OE1-CZ 2.78Å; E379-R383 IonicContact OE1-NE 3.07Å; E379-R383 PolarHBondContact OE1-NE 3.4Å; E379-R383 IonicContact OE1-NH2 2.89Å; E379-R383 PolarHBondContact OE1-NH2 2.81Å; I381-R383 VanDerWaalsContact C-N 3.33Å; I381-R383 PolarHBondContact O-N 3.5Å; R383-R386 PolarHBondContact O-N 2.86Å; R383-Q387 VanDerWaalsContact O-CG 3.31Å; R383-Q387 WeakPolarHBondContact O-CG 3.33Å; R383-Q387 PolarHBondContact O-N 3.09Å
384R92.7Very high90.2Very high116 Ų11684.6 Ų84.644%0.43837%0.373SS..Hα-helixtrans-64.7-42.8178.3-82.1-170.2-86176.7-1.6112.2K380 I381 Y382 Q387 R388K380-R384 WeakPolarHBondContact O-CB 3.42Å; K380-R384 WeakPolarHBondContact O-CG 3.35Å; K380-R384 PolarHBondContact O-N 3.37Å; K380-R384 PolarHBondContact O-NE 2.94Å; I381-R384 PolarHBondContact O-N 3.01Å; I381-R384 VanDerWaalsContact O-N 3.13Å; Y382-R384 VanDerWaalsContact C-N 3.34Å; Y382-R384 PolarHBondContact O-N 3.15Å; R384-Q387 PolarHBondContact O-N 3.07Å; R384-R388 WeakPolarHBondContact O-CB 3.27Å; R384-R388 PolarHBondContact O-N 3Å
385L92.7Very high90.3Very high12 Ų1285.5 Ų85.56%0.06338%0.378CS..Hα-helixtrans-63.9-44.6175.8-69.5178000111M339 V342 I381 Y382 Q387 R388 L389 F394 I416 L420M339-L385 HydrophobicContact CE-CD1 4.43Å; M339-L385 HydrophobicContact SD-CD1 3.92Å; V342-L385 HydrophobicContact CG1-CD1 4.45Å; I381-L385 HydrophobicContact CG2-CD1 4.05Å; I381-L385 HydrophobicContact CG2-CG 4.25Å; I381-L385 WeakPolarHBondContact O-CG 3.28Å; I381-L385 PolarHBondContact O-N 2.9Å; Y382-L385 PolarHBondContact O-N 3.11Å; L385-Q387 VanDerWaalsContact C-N 3.27Å; L385-Q387 PolarHBondContact O-N 2.72Å; L385-R388 PolarHBondContact O-N 3.37Å; L385-L389 HydrophobicContact CB-CD1 4.35Å; L385-L389 HydrophobicContact CD2-CD1 4.31Å; L385-L389 HydrophobicContact CD2-CG 4.49Å; L385-L389 VanDerWaalsContact O-CB 3.29Å; L385-L389 WeakPolarHBondContact O-CB 3.36Å; L385-L389 VanDerWaalsContact O-CG 3.32Å; L385-L389 WeakPolarHBondContact O-CG 3.45Å; L385-L389 PolarHBondContact O-N 3.3Å; L385-F394 HydrophobicContact CB-CE2 4.42Å; L385-I416 HydrophobicContact CD1-CD1 4.1Å; L385-I416 HydrophobicContact CD1-CG1 4.48Å; L385-I416 HydrophobicContact CD1-CG2 4.32Å; L385-I416 HydrophobicContact CD2-CG2 3.82Å; L385-L420 HydrophobicContact CD2-CD1 4.33Å; L385-L420 HydrophobicContact CD2-CD2 4.28Å
386R90.9Very high90.8Very high151 Ų15180 Ų8057%0.5735%0.348SS*.Hα-helixtrans-60.7-34.6177.8-172172.3174.2176.8-3.6113.2Y382 R383 F394Y382-R386 WeakPolarHBondContact O-CB 3.5Å; Y382-R386 PolarHBondContact O-N 2.93Å; Y382-R386 PolarHBondContact OH-NH1 3.21Å; R383-R386 PolarHBondContact O-N 2.86Å; R386-F394 HydrophobicContact CB-CD2 4.14Å; R386-F394 HydrophobicContact CB-CE1 4.46Å; R386-F394 HydrophobicContact CB-CE2 3.61Å; R386-F394 HydrophobicContact CB-CZ 3.79Å; R386-F394 HydrophobicContact CG-CE1 4.14Å; R386-F394 HydrophobicContact CG-CE2 4.17Å; R386-F394 HydrophobicContact CG-CZ 3.94Å
387Q90.9Very high91.2Very high166 Ų16672 Ų7278%0.77631%0.311SS*.Hα-helixtrans-81.8-32.5177.6-71.7173.3-10.300113.5R383 R384 L385R383-Q387 VanDerWaalsContact O-CG 3.31Å; R383-Q387 WeakPolarHBondContact O-CG 3.33Å; R383-Q387 PolarHBondContact O-N 3.09Å; R384-Q387 PolarHBondContact O-N 3.07Å; L385-Q387 VanDerWaalsContact C-N 3.27Å; L385-Q387 PolarHBondContact O-N 2.72Å
388R92.6Very high91.5Very high188 Ų18868.3 Ų68.371%0.70930%0.299SS*.Hα-helixtrans-91-34.5-172-174.2172.5175.4107.7-0.8113.2R384 L385 L420R384-R388 WeakPolarHBondContact O-CB 3.27Å; R384-R388 PolarHBondContact O-N 3Å; L385-R388 PolarHBondContact O-N 3.37Å; R388-L420 HydrophobicContact CG-CD2 4.08Å
389L92.5Very high91.7Very high11 Ų1169.2 Ų69.26%0.05830%0.304CS..SBendtrans-82150.1-179.4-60.6-174.8000110.6L385 F394 I397 A419 L420L385-L389 HydrophobicContact CB-CD1 4.35Å; L385-L389 HydrophobicContact CD2-CD1 4.31Å; L385-L389 HydrophobicContact CD2-CG 4.49Å; L385-L389 VanDerWaalsContact O-CB 3.29Å; L385-L389 WeakPolarHBondContact O-CB 3.36Å; L385-L389 VanDerWaalsContact O-CG 3.32Å; L385-L389 WeakPolarHBondContact O-CG 3.45Å; L385-L389 PolarHBondContact O-N 3.3Å; L389-F394 HydrophobicContact CB-CB 4.31Å; L389-I397 HydrophobicContact CD1-CD1 3.57Å; L389-A419 HydrophobicContact CD1-CB 4.21Å; L389-A419 HydrophobicContact CD2-CB 3.68Å; L389-A419 WeakPolarHBondContact CD2-O 3.24Å; L389-L420 HydrophobicContact CD2-CD2 3.75Å; L389-L420 HydrophobicContact CD2-CG 4.06Å
390R89.6Confident92Very high91 Ų9166.8 Ų66.834%0.34329%0.293SS..  trans-56141.1167.3-75.6-175.561.2178.71.1110.3E392 N393 F394 K423 L425R390-E392 WeakPolarHBondContact CB-OE2 3.42Å; R390-E392 IonicContact CZ-OE1 3.76Å; R390-E392 IonicContact CZ-OE2 2.75Å; R390-E392 IonicContact NE-OE1 2.95Å; R390-E392 IonicContact NE-OE2 2.64Å; R390-E392 PolarHBondContact NE-OE2 2.85Å; R390-E392 IonicContact NH2-OE1 2.92Å; R390-E392 PolarHBondContact NH2-OE1 2.98Å; R390-E392 IonicContact NH2-OE2 2.86Å; R390-E392 PolarHBondContact O-N 2.95Å; R390-E392 VanDerWaalsContact O-N 3.15Å; R390-N393 HydrophobicContact CB-CB 4.25Å; R390-N393 PolarHBondContact O-N 3.14Å; R390-F394 PolarHBondContact O-N 3.3Å; R390-K423 VanDerWaalsContact CD-O 3.27Å; R390-K423 WeakPolarHBondContact CD-O 2.99Å; R390-K423 PolarHBondContact NH1-O 3.02Å; R390-K423 VanDerWaalsContact NH1-O 3.09Å; R390-L425 VanDerWaalsContact CZ-CD2 3.48Å
391P90.5Very high92Very high104 Ų10461.1 Ų61.168%0.67527%0.268SS*.Hα-helixtrans-51.5-39.5179.1-28.235.3000113.4F394 L395P391-F394 PolarHBondContact O-N 3.31Å; P391-L395 VanDerWaalsContact O-CB 3.29Å; P391-L395 WeakPolarHBondContact O-CB 3.4Å; P391-L395 PolarHBondContact O-N 3.14Å
392E91.3Very high91.8Very high89 Ų8960.8 Ų60.842%0.41627%0.266SS..Hα-helixtrans-70.2-37.8-179.8-49.794.7136.900112.1R390 L395 F396 L425R390-E392 WeakPolarHBondContact CB-OE2 3.42Å; R390-E392 IonicContact CZ-OE1 3.76Å; R390-E392 IonicContact CZ-OE2 2.75Å; R390-E392 IonicContact NE-OE1 2.95Å; R390-E392 IonicContact NE-OE2 2.64Å; R390-E392 PolarHBondContact NE-OE2 2.85Å; R390-E392 IonicContact NH2-OE1 2.92Å; R390-E392 PolarHBondContact NH2-OE1 2.98Å; R390-E392 IonicContact NH2-OE2 2.86Å; R390-E392 PolarHBondContact O-N 2.95Å; R390-E392 VanDerWaalsContact O-N 3.15Å; E392-L395 PolarHBondContact O-N 3.41Å; E392-F396 WeakPolarHBondContact O-CB 3.24Å; E392-F396 PolarHBondContact O-N 3.44Å; E392-L425 HydrophobicContact CB-CD2 3.59Å; E392-L425 HydrophobicContact CG-CD2 4.08Å
393N94.8Very high91.8Very high3 Ų360.2 Ų60.22%0.01626%0.264CS..Hα-helixtrans-71.1-40.6176.5-72.9-10.1000111.1R390 L395 F396 I397 A419 D424 L425 L426R390-N393 HydrophobicContact CB-CB 4.25Å; R390-N393 PolarHBondContact O-N 3.14Å; N393-L395 VanDerWaalsContact C-N 3.34Å; N393-F396 PolarHBondContact O-N 2.83Å; N393-I397 WeakPolarHBondContact O-CD1 3.46Å; N393-I397 WeakPolarHBondContact O-CG1 3.47Å; N393-I397 PolarHBondContact O-N 3.24Å; N393-A419 HydrophobicContact CB-CB 4.39Å; N393-D424 PolarHBondContact ND2-O 3.21Å; N393-L425 WeakPolarHBondContact OD1-CA 3.47Å; N393-L426 HydrophobicContact CB-CD1 4.22Å; N393-L426 HydrophobicContact CB-CG 4.2Å; N393-L426 PolarHBondContact OD1-N 3.16Å
394F93.9Very high91.5Very high18 Ų1855.4 Ų55.48%0.07925%0.251CS..Hα-helixtrans-61.4-45.3173.8-175-93.2000111F332 Y382 L385 R386 L389 R390 P391 F396 I397 Q398F332-F394 HydrophobicContact CD1-CE1 4.41Å; F332-F394 HydrophobicContact CD1-CE2 4.48Å; F332-F394 AromaticContact CD1-CZ 3.98Å; F332-F394 HydrophobicContact CD1-CZ 3.98Å; F332-F394 HydrophobicContact CE1-CE1 4.46Å; F332-F394 AromaticContact CE1-CE2 3.84Å; F332-F394 HydrophobicContact CE1-CE2 3.84Å; F332-F394 AromaticContact CE1-CZ 3.8Å; F332-F394 HydrophobicContact CE1-CZ 3.8Å; Y382-F394 HydrophobicContact CD2-CZ 4.27Å; Y382-F394 HydrophobicContact CE2-CE2 4.29Å; Y382-F394 AromaticContact CE2-CZ 3.54Å; Y382-F394 HydrophobicContact CE2-CZ 3.54Å; Y382-F394 AromaticContact CZ-CZ 3.87Å; L385-F394 HydrophobicContact CB-CE2 4.42Å; R386-F394 HydrophobicContact CB-CD2 4.14Å; R386-F394 HydrophobicContact CB-CE1 4.46Å; R386-F394 HydrophobicContact CB-CE2 3.61Å; R386-F394 HydrophobicContact CB-CZ 3.79Å; R386-F394 HydrophobicContact CG-CE1 4.14Å; R386-F394 HydrophobicContact CG-CE2 4.17Å; R386-F394 HydrophobicContact CG-CZ 3.94Å; L389-F394 HydrophobicContact CB-CB 4.31Å; R390-F394 PolarHBondContact O-N 3.3Å; P391-F394 PolarHBondContact O-N 3.31Å; F394-F396 VanDerWaalsContact C-N 3.34Å; F394-F396 PolarHBondContact O-N 3.28Å; F394-I397 PolarHBondContact O-N 3.11Å; F394-Q398 WeakPolarHBondContact O-CB 3.39Å; F394-Q398 PolarHBondContact O-N 3.44Å
395L91.7Very high91.1Very high82 Ų8252.1 Ų52.143%0.42924%0.242SC..Hα-helixtrans-62.5-39.3175-177.762.2000112.1P391 E392 N393 I397 Q398 N399P391-L395 VanDerWaalsContact O-CB 3.29Å; P391-L395 WeakPolarHBondContact O-CB 3.4Å; P391-L395 PolarHBondContact O-N 3.14Å; E392-L395 PolarHBondContact O-N 3.41Å; N393-L395 VanDerWaalsContact C-N 3.34Å; L395-I397 PolarHBondContact O-N 3.37Å; L395-Q398 PolarHBondContact O-N 3.37Å; L395-N399 VanDerWaalsContact O-CB 3.3Å; L395-N399 WeakPolarHBondContact O-CB 3.3Å; L395-N399 PolarHBondContact O-N 3.17Å; L395-N399 PolarHBondContact O-ND2 3.4Å
396F94Very high90.6Very high6 Ų660.3 Ų60.33%0.02628%0.279CS..Hα-helixtrans-60.8-43.5174.8-177.1-86.1000111.9E392 N393 F394 N399 G400 L426 E427 I435 L438 R439 I442E392-F396 WeakPolarHBondContact O-CB 3.24Å; E392-F396 PolarHBondContact O-N 3.44Å; N393-F396 PolarHBondContact O-N 2.83Å; F394-F396 VanDerWaalsContact C-N 3.34Å; F394-F396 PolarHBondContact O-N 3.28Å; F396-N399 PolarHBondContact O-N 3.13Å; F396-G400 PolarHBondContact O-N 3.41Å; F396-L426 HydrophobicContact CB-CD1 4.4Å; F396-L426 HydrophobicContact CD1-CB 3.97Å; F396-L426 HydrophobicContact CD1-CD1 3.64Å; F396-L426 HydrophobicContact CD1-CG 4.49Å; F396-L426 HydrophobicContact CE1-CB 4.3Å; F396-L426 HydrophobicContact CE1-CD1 4.32Å; F396-L426 HydrophobicContact CG-CB 4.21Å; F396-L426 HydrophobicContact CG-CD1 4.31Å; F396-E427 HydrophobicContact CD2-CG 3.71Å; F396-E427 HydrophobicContact CE2-CG 3.88Å; F396-I435 HydrophobicContact CE1-CD1 4.45Å; F396-I435 HydrophobicContact CZ-CG2 4.31Å; F396-L438 HydrophobicContact CE1-CB 3.91Å; F396-L438 HydrophobicContact CE1-CD1 4.08Å; F396-L438 HydrophobicContact CZ-CB 3.96Å; F396-R439 HydrophobicContact CE2-CB 4.11Å; F396-R439 HydrophobicContact CE2-CG 4.42Å; F396-R439 HydrophobicContact CZ-CB 4.09Å; F396-I442 HydrophobicContact CD1-CD1 4.32Å; F396-I442 HydrophobicContact CD2-CD1 3.94Å; F396-I442 HydrophobicContact CE1-CD1 4.16Å; F396-I442 HydrophobicContact CE2-CD1 3.76Å; F396-I442 HydrophobicContact CG-CD1 4.22Å; F396-I442 HydrophobicContact CZ-CD1 3.88Å; F396-I442 WeakPolarHBondContact O-CD1 3.46Å
397I94.6Very high90.2Very high1 Ų154.7 Ų54.71%0.00527%0.269CS..Hα-helixtrans-65.9-44.2176.9-66.2160.5000110.4F332 L389 N393 F394 L395 G400 F401 L412 A415 I416 A419 L426F332-I397 HydrophobicContact CE1-CG2 4.3Å; F332-I397 HydrophobicContact CE2-CG2 4.15Å; F332-I397 HydrophobicContact CZ-CG2 3.58Å; L389-I397 HydrophobicContact CD1-CD1 3.57Å; N393-I397 WeakPolarHBondContact O-CD1 3.46Å; N393-I397 WeakPolarHBondContact O-CG1 3.47Å; N393-I397 PolarHBondContact O-N 3.24Å; F394-I397 PolarHBondContact O-N 3.11Å; L395-I397 PolarHBondContact O-N 3.37Å; I397-G400 CarbonylContact O-C 3.59Å; I397-G400 WeakPolarHBondContact O-CA 3.36Å; I397-G400 PolarHBondContact O-N 3.02Å; I397-G400 VanDerWaalsContact O-N 3.16Å; I397-F401 PolarHBondContact O-N 2.99Å; I397-L412 HydrophobicContact CG2-CD2 4.1Å; I397-L412 WeakPolarHBondContact O-CD2 3.38Å; I397-A415 HydrophobicContact CG1-CB 4.21Å; I397-I416 HydrophobicContact CD1-CG1 3.86Å; I397-I416 HydrophobicContact CG2-CD1 4.43Å; I397-I416 HydrophobicContact CG2-CG1 4.17Å; I397-A419 HydrophobicContact CD1-CB 4.29Å; I397-L426 HydrophobicContact CD1-CD1 4.09Å; I397-L426 HydrophobicContact CG1-CD1 3.86Å
398Q91.9Very high90Very high45 Ų4547.9 Ų47.921%0.2124%0.237CC..Hα-helixtrans-62.5-42.2175.8178.1171.8-31.800112.3F332 F394 L395 G400 F401 Y402F332-Q398 HydrophobicContact CB-CB 4.39Å; F332-Q398 HydrophobicContact CB-CG 3.8Å; F332-Q398 HydrophobicContact CD1-CB 3.79Å; F332-Q398 HydrophobicContact CD1-CG 4.05Å; F332-Q398 HydrophobicContact CE1-CB 4.34Å; F332-Q398 HydrophobicContact CG-CB 4.17Å; F332-Q398 HydrophobicContact CG-CG 4.14Å; F394-Q398 WeakPolarHBondContact O-CB 3.39Å; F394-Q398 PolarHBondContact O-N 3.44Å; L395-Q398 PolarHBondContact O-N 3.37Å; Q398-G400 VanDerWaalsContact C-N 3.3Å; Q398-G400 PolarHBondContact O-N 2.77Å; Q398-F401 WeakPolarHBondContact O-CB 3.31Å; Q398-F401 PolarHBondContact O-N 2.84Å; Q398-Y402 HydrophobicContact CG-CD2 4.23Å; Q398-Y402 HydrophobicContact CG-CE2 3.59Å; Q398-Y402 VanDerWaalsContact O-CD2 3.29Å; Q398-Y402 WeakPolarHBondContact O-CD2 3.19Å; Q398-Y402 PolarHBondContact O-N 2.81Å
399N92.3Very high89.7Confident19 Ų1939.6 Ų39.610%0.10221%0.206CC..Hα-helixtrans-63-40.9172.7-73.2-19.9000111L395 F396 F401 Y402 A403 I442 M445 Y478L395-N399 VanDerWaalsContact O-CB 3.3Å; L395-N399 WeakPolarHBondContact O-CB 3.3Å; L395-N399 PolarHBondContact O-N 3.17Å; L395-N399 PolarHBondContact O-ND2 3.4Å; F396-N399 PolarHBondContact O-N 3.13Å; N399-F401 VanDerWaalsContact C-N 3.26Å; N399-F401 PolarHBondContact O-N 2.83Å; N399-Y402 PolarHBondContact O-N 3.11Å; N399-A403 PolarHBondContact O-N 3.43Å; N399-I442 HydrophobicContact CB-CD1 3.93Å; N399-I442 HydrophobicContact CB-CG1 3.9Å; N399-I442 HydrophobicContact CB-CG2 3.85Å; N399-M445 HydrophobicContact CB-CE 4.33Å; N399-Y478 PolarHBondContact OD1-OH 2.79Å
400G91.7Very high89.5Confident1 Ų142 Ų421%0.0121%0.214CC..Hα-helixtrans-59-40.4175.900000111.6F396 I397 Q398 A403 K408F396-G400 PolarHBondContact O-N 3.41Å; I397-G400 CarbonylContact O-C 3.59Å; I397-G400 WeakPolarHBondContact O-CA 3.36Å; I397-G400 PolarHBondContact O-N 3.02Å; I397-G400 VanDerWaalsContact O-N 3.16Å; Q398-G400 VanDerWaalsContact C-N 3.3Å; Q398-G400 PolarHBondContact O-N 2.77Å; G400-A403 PolarHBondContact O-N 3.45Å; G400-K408 WeakPolarHBondContact O-CD 3.33Å
401F90.3Very high89.7Confident7 Ų741 Ų413%0.03121%0.211CC..Hα-helixtrans-61.3-43.4175.4178.7-85.3000112.9F327 V329 F332 A335 I397 Q398 N399 A403 K408 L412F327-F401 HydrophobicContact CB-CE2 4.19Å; F327-F401 HydrophobicContact CB-CZ 3.79Å; F327-F401 AromaticContact CD1-CD2 3.85Å; F327-F401 HydrophobicContact CD1-CD2 3.85Å; F327-F401 AromaticContact CD1-CE2 2.98Å; F327-F401 HydrophobicContact CD1-CE2 2.98Å; F327-F401 AromaticContact CD1-CZ 3.48Å; F327-F401 HydrophobicContact CD1-CZ 3.48Å; F327-F401 VanDerWaalsContact CD1-CZ 3.48Å; F327-F401 HydrophobicContact CD2-CD2 4.35Å; F327-F401 HydrophobicContact CD2-CE2 4.03Å; F327-F401 HydrophobicContact CD2-CZ 4.31Å; F327-F401 AromaticContact CE1-CD2 3.52Å; F327-F401 HydrophobicContact CE1-CD2 3.52Å; F327-F401 AromaticContact CE1-CE2 3.08Å; F327-F401 HydrophobicContact CE1-CE2 3.08Å; F327-F401 HydrophobicContact CE1-CZ 4.05Å; F327-F401 HydrophobicContact CE2-CD2 4.18Å; F327-F401 HydrophobicContact CE2-CE2 4.19Å; F327-F401 HydrophobicContact CG-CD2 4.2Å; F327-F401 HydrophobicContact CG-CE1 4.48Å; F327-F401 AromaticContact CG-CE2 3.44Å; F327-F401 HydrophobicContact CG-CE2 3.44Å; F327-F401 VanDerWaalsContact CG-CE2 3.44Å; F327-F401 AromaticContact CG-CZ 3.56Å; F327-F401 HydrophobicContact CG-CZ 3.56Å; F327-F401 AromaticContact CZ-CD2 3.71Å; F327-F401 HydrophobicContact CZ-CD2 3.71Å; F327-F401 AromaticContact CZ-CE2 3.73Å; F327-F401 HydrophobicContact CZ-CE2 3.73Å; V329-F401 VanDerWaalsContact O-CZ 3.29Å; V329-F401 WeakPolarHBondContact O-CZ 3.49Å; F332-F401 HydrophobicContact CB-CD1 4.1Å; F332-F401 HydrophobicContact CB-CE1 4.45Å; F332-F401 HydrophobicContact CB-CG 4.29Å; F332-F401 HydrophobicContact CD2-CB 3.7Å; F332-F401 HydrophobicContact CD2-CD1 4.15Å; F332-F401 AromaticContact CD2-CD2 3.43Å; F332-F401 HydrophobicContact CD2-CD2 3.43Å; F332-F401 VanDerWaalsContact CD2-CD2 3.43Å; F332-F401 AromaticContact CD2-CE2 3.92Å; F332-F401 HydrophobicContact CD2-CE2 3.92Å; F332-F401 AromaticContact CD2-CG 3.52Å; F332-F401 HydrophobicContact CD2-CG 3.52Å; F332-F401 HydrophobicContact CE2-CB 4.19Å; F332-F401 AromaticContact CE2-CD2 3.95Å; F332-F401 HydrophobicContact CE2-CD2 3.95Å; F332-F401 HydrophobicContact CE2-CG 4.28Å; F332-F401 HydrophobicContact CG-CB 4.42Å; F332-F401 HydrophobicContact CG-CG 4.32Å; A335-F401 HydrophobicContact CB-CD2 4.41Å; A335-F401 HydrophobicContact CB-CE2 3.34Å; A335-F401 HydrophobicContact CB-CZ 3.62Å; I397-F401 PolarHBondContact O-N 2.99Å; Q398-F401 WeakPolarHBondContact O-CB 3.31Å; Q398-F401 PolarHBondContact O-N 2.84Å; N399-F401 VanDerWaalsContact C-N 3.26Å; N399-F401 PolarHBondContact O-N 2.83Å; F401-A403 VanDerWaalsContact C-N 3.29Å; F401-A403 PolarHBondContact O-N 3.34Å; F401-K408 WeakPolarHBondContact O-CE 3.29Å; F401-K408 PolarHBondContact O-NZ 3.39Å; F401-L412 HydrophobicContact CB-CD1 4.16Å; F401-L412 HydrophobicContact CD2-CD1 4.23Å
402Y88.9Confident89.9Confident10 Ų1036.1 Ų36.14%0.03918%0.179CC..Hα-helixtrans-74.5-18.8177.3-62.1-38.9000113.7E330 F332 Q398 N399 M445 Y474 P477 Y478E330-Y402 WeakPolarHBondContact O-CE1 3.17Å; F332-Y402 PolarHBondContact N-OH 3.18Å; Q398-Y402 HydrophobicContact CG-CD2 4.23Å; Q398-Y402 HydrophobicContact CG-CE2 3.59Å; Q398-Y402 VanDerWaalsContact O-CD2 3.29Å; Q398-Y402 WeakPolarHBondContact O-CD2 3.19Å; Q398-Y402 PolarHBondContact O-N 2.81Å; N399-Y402 PolarHBondContact O-N 3.11Å; Y402-M445 WeakPolarHBondContact CB-SD 3.43Å; Y402-Y474 AromaticContact CD1-CD1 3.52Å; Y402-Y474 HydrophobicContact CD1-CD1 3.52Å; Y402-Y474 HydrophobicContact CD1-CE1 4.11Å; Y402-Y474 HydrophobicContact CD1-CG 4.5Å; Y402-Y474 HydrophobicContact CE1-CD1 4.15Å; Y402-Y474 HydrophobicContact CE1-CE1 4.29Å; Y402-Y474 HydrophobicContact CG-CD1 4.24Å; Y402-Y474 VanDerWaalsContact O-CB 3.31Å; Y402-Y474 WeakPolarHBondContact O-CB 3.25Å; Y402-Y474 PolarHBondContact O-N 3.14Å; Y402-P477 HydrophobicContact CD1-CG 4.15Å; Y402-P477 HydrophobicContact CD2-CG 4.48Å; Y402-P477 HydrophobicContact CE1-CG 3.93Å; Y402-P477 HydrophobicContact CE2-CB 4.02Å; Y402-P477 HydrophobicContact CE2-CG 4.17Å; Y402-P477 HydrophobicContact CG-CG 4.46Å; Y402-Y478 AromaticContact CD2-CE2 3.58Å; Y402-Y478 HydrophobicContact CD2-CE2 3.58Å; Y402-Y478 AromaticContact CD2-CZ 3.93Å; Y402-Y478 WeakPolarHBondContact CD2-OH 3.03Å; Y402-Y478 HydrophobicContact CE2-CE2 4.22Å; Y402-Y478 HydrophobicContact CG-CE2 4.38Å
403A88.7Confident90Very high0 Ų031.9 Ų31.90%016%0.159CC..SBendtrans-75.6141177.700000111.3N399 G400 F401 K408 S441 I442 M445N399-A403 PolarHBondContact O-N 3.43Å; G400-A403 PolarHBondContact O-N 3.45Å; F401-A403 VanDerWaalsContact C-N 3.29Å; F401-A403 PolarHBondContact O-N 3.34Å; A403-K408 WeakPolarHBondContact O-CD 3.46Å; A403-K408 WeakPolarHBondContact O-CE 3.32Å; A403-K408 PolarHBondContact O-NZ 3.45Å; A403-S441 WeakPolarHBondContact CB-OG 3.08Å; A403-I442 HydrophobicContact CB-CG1 4.3Å; A403-M445 HydrophobicContact CB-CB 4.39Å; A403-M445 HydrophobicContact CB-SD 4.22Å
404T84.4Confident89.9Confident44 Ų4432.4 Ų32.427%0.2716%0.162SC..  trans-83.2121.1173.3-58.10000110.1Q323 S441 K472 H473Q323-T404 HydrophobicContact CG-CG2 4.24Å; T404-S441 PolarHBondContact O-OG 2.93Å; T404-K472 VanDerWaalsContact CB-O 3.29Å; T404-K472 WeakPolarHBondContact CB-O 3.24Å; T404-K472 PolarHBondContact OG1-O 3.38Å; T404-H473 PolarHBondContact N-CD2 3.43Å; T404-H473 VanDerWaalsContact N-CD2 3.34Å; T404-H473 WeakPolarHBondContact OG1-CA 3.43Å
405L85.7Confident90.1Very high47 Ų4731.5 Ų31.525%0.24616%0.158CC..  trans-155.6132.3-178179.861.1000109.2G407 K408 Y411 A437 L438L405-G407 PolarHBondContact O-N 2.93Å; L405-K408 HydrophobicContact CB-CB 4.16Å; L405-K408 WeakPolarHBondContact O-CB 3.13Å; L405-K408 PolarHBondContact O-N 3.11Å; L405-Y411 HydrophobicContact CD1-CE2 4.27Å; L405-Y411 HydrophobicContact CD2-CD2 3.34Å; L405-Y411 HydrophobicContact CD2-CE2 3.7Å; L405-Y411 HydrophobicContact CD2-CG 4.33Å; L405-Y411 HydrophobicContact CG-CD2 3.83Å; L405-Y411 HydrophobicContact CG-CE2 3.81Å; L405-A437 HydrophobicContact CD2-CB 4.03Å; L405-L438 HydrophobicContact CD2-CD2 4.16Å
406E81.7Confident90.2Very high183 Ų18327.6 Ų27.686%0.85514%0.138SC*.THydrogen-bonded Turntrans-65.1130.3176-173.2-177.8173.700110.5K408 Y411E406-K408 PolarHBondContact O-N 3.05Å; E406-Y411 VanDerWaalsContact O-CE2 3.22Å; E406-Y411 WeakPolarHBondContact O-CE2 3.2Å
407G81.7Confident90.3Very high34 Ų3429.9 Ų29.935%0.35115%0.148SC..THydrogen-bonded Turntrans64.324.4-175.500000114.1L405 E409 R410 Y411L405-G407 PolarHBondContact O-N 2.93Å; G407-E409 VanDerWaalsContact C-OE2 3.27Å; G407-E409 WeakPolarHBondContact CA-OE2 3.43Å; G407-E409 PolarHBondContact O-N 3.02Å; G407-E409 VanDerWaalsContact O-N 3.07Å; G407-R410 PolarHBondContact O-N 2.56Å; G407-R410 VanDerWaalsContact O-N 3.12Å; G407-Y411 WeakPolarHBondContact O-CD2 3.32Å; G407-Y411 PolarHBondContact O-N 3.14Å
408K87.1Confident90.3Very high22 Ų2231 Ų3110%0.09615%0.154CC..Hα-helixtrans-45.6-38.7178.8171.416661.3-1760113.1F327 G400 F401 A403 L405 E406 R410 Y411 L412F327-K408 HydrophobicContact CE2-CD 4.33Å; F327-K408 HydrophobicContact CE2-CG 4.48Å; G400-K408 WeakPolarHBondContact O-CD 3.33Å; F401-K408 WeakPolarHBondContact O-CE 3.29Å; F401-K408 PolarHBondContact O-NZ 3.39Å; A403-K408 WeakPolarHBondContact O-CD 3.46Å; A403-K408 WeakPolarHBondContact O-CE 3.32Å; A403-K408 PolarHBondContact O-NZ 3.45Å; L405-K408 HydrophobicContact CB-CB 4.16Å; L405-K408 WeakPolarHBondContact O-CB 3.13Å; L405-K408 PolarHBondContact O-N 3.11Å; E406-K408 PolarHBondContact O-N 3.05Å; K408-R410 PolarHBondContact O-N 3.36Å; K408-Y411 CarbonylContact O-C 3.57Å; K408-Y411 WeakPolarHBondContact O-CB 3.45Å; K408-Y411 PolarHBondContact O-N 3.44Å; K408-Y411 VanDerWaalsContact O-N 3.13Å; K408-L412 HydrophobicContact CD-CD1 4.27Å; K408-L412 HydrophobicContact CG-CD1 3.68Å; K408-L412 HydrophobicContact CG-CG 3.95Å; K408-L412 VanDerWaalsContact O-CG 3.31Å; K408-L412 WeakPolarHBondContact O-CG 3.41Å; K408-L412 PolarHBondContact O-N 3.42Å
409E87.1Confident90.4Very high15 Ų1529.1 Ų29.17%0.0715%0.147CC..Hα-helixtrans-59.2-47.2-175.8-58.166.6-138.600110.9L326 F327 F338 I355 G407 Y411 L412 L413L326-E409 HydrophobicContact CB-CG 3.72Å; L326-E409 WeakPolarHBondContact CB-OE1 3.18Å; L326-E409 HydrophobicContact CD1-CG 3.88Å; L326-E409 HydrophobicContact CD2-CB 4.35Å; L326-E409 HydrophobicContact CD2-CG 3.26Å; L326-E409 HydrophobicContact CG-CG 3.72Å; F327-E409 HydrophobicContact CE2-CG 4.23Å; F327-E409 WeakPolarHBondContact CE2-OE1 3.45Å; F327-E409 HydrophobicContact CZ-CG 4.07Å; F338-E409 HydrophobicContact CD2-CB 4.38Å; F338-E409 HydrophobicContact CE2-CB 4.2Å; F338-E409 WeakPolarHBondContact CE2-O 3.29Å; I355-E409 HydrophobicContact CB-CB 3.84Å; I355-E409 HydrophobicContact CB-CG 4.42Å; I355-E409 HydrophobicContact CD1-CB 3.79Å; I355-E409 HydrophobicContact CG1-CB 4.35Å; I355-E409 HydrophobicContact CG2-CB 4.2Å; I355-E409 HydrophobicContact CG2-CG 4.42Å; G407-E409 VanDerWaalsContact C-OE2 3.27Å; G407-E409 WeakPolarHBondContact CA-OE2 3.43Å; G407-E409 PolarHBondContact O-N 3.02Å; G407-E409 VanDerWaalsContact O-N 3.07Å; E409-Y411 VanDerWaalsContact C-N 3.33Å; E409-Y411 PolarHBondContact O-N 2.88Å; E409-L412 PolarHBondContact O-N 2.91Å; E409-L413 WeakPolarHBondContact O-CB 3.4Å; E409-L413 PolarHBondContact O-N 3.37Å
410R88.3Confident90.5Very high62 Ų6230.4 Ų30.423%0.23415%0.153CC..Hα-helixtrans-64.2-42.3176.5176.366.3-149.7-145.11.9110.5F351 P352 G407 K408 L412 L413 D414F351-R410 PolarHBondContact O-NH1 2.61Å; P352-R410 WeakPolarHBondContact O-CD 3.37Å; P352-R410 PolarHBondContact O-NH1 2.85Å; G407-R410 PolarHBondContact O-N 2.56Å; G407-R410 VanDerWaalsContact O-N 3.12Å; K408-R410 PolarHBondContact O-N 3.36Å; R410-L412 VanDerWaalsContact C-N 3.35Å; R410-L412 PolarHBondContact O-N 3.41Å; R410-L413 PolarHBondContact O-N 3.38Å; R410-D414 IonicContact CZ-OD1 3.62Å; R410-D414 VanDerWaalsContact CZ-OD1 3.25Å; R410-D414 IonicContact NE-OD1 3.48Å; R410-D414 PolarHBondContact NE-OD1 2.79Å; R410-D414 IonicContact NE-OD2 2.89Å; R410-D414 IonicContact NH2-OD1 3.72Å; R410-D414 PolarHBondContact NH2-OD1 3.21Å; R410-D414 PolarHBondContact O-N 3.38Å
411Y93.1Very high90.5Very high70 Ų7037.4 Ų37.428%0.27519%0.185SC..Hα-helixtrans-65.3-38.2178.6-58.1-47.8000112.8L405 E406 G407 K408 E409 A415 S434 A437L405-Y411 HydrophobicContact CD1-CE2 4.27Å; L405-Y411 HydrophobicContact CD2-CD2 3.34Å; L405-Y411 HydrophobicContact CD2-CE2 3.7Å; L405-Y411 HydrophobicContact CD2-CG 4.33Å; L405-Y411 HydrophobicContact CG-CD2 3.83Å; L405-Y411 HydrophobicContact CG-CE2 3.81Å; E406-Y411 VanDerWaalsContact O-CE2 3.22Å; E406-Y411 WeakPolarHBondContact O-CE2 3.2Å; G407-Y411 WeakPolarHBondContact O-CD2 3.32Å; G407-Y411 PolarHBondContact O-N 3.14Å; K408-Y411 CarbonylContact O-C 3.57Å; K408-Y411 WeakPolarHBondContact O-CB 3.45Å; K408-Y411 PolarHBondContact O-N 3.44Å; K408-Y411 VanDerWaalsContact O-N 3.13Å; E409-Y411 VanDerWaalsContact C-N 3.33Å; E409-Y411 PolarHBondContact O-N 2.88Å; Y411-A415 WeakPolarHBondContact O-CB 3.47Å; Y411-A415 PolarHBondContact O-N 2.92Å; Y411-S434 VanDerWaalsContact CD1-CB 3.49Å; Y411-S434 WeakPolarHBondContact CD1-OG 3.18Å; Y411-A437 HydrophobicContact CD2-CB 4.45Å; Y411-A437 HydrophobicContact CE1-CB 4.5Å; Y411-A437 HydrophobicContact CE2-CB 4.29Å
412L94Very high90.5Very high0 Ų038.8 Ų38.80%020%0.195CC..Hα-helixtrans-66.6-38.8174.6-70.2174.9000111.5F327 F338 I397 F401 K408 E409 R410 A415 I416 L438F327-L412 HydrophobicContact CZ-CD1 4.06Å; F338-L412 HydrophobicContact CE1-CB 4.09Å; F338-L412 HydrophobicContact CE1-CD1 4.41Å; F338-L412 HydrophobicContact CE2-CB 4.25Å; F338-L412 HydrophobicContact CZ-CB 3.5Å; F338-L412 HydrophobicContact CZ-CD1 4.32Å; I397-L412 HydrophobicContact CG2-CD2 4.1Å; I397-L412 WeakPolarHBondContact O-CD2 3.38Å; F401-L412 HydrophobicContact CB-CD1 4.16Å; F401-L412 HydrophobicContact CD2-CD1 4.23Å; K408-L412 HydrophobicContact CD-CD1 4.27Å; K408-L412 HydrophobicContact CG-CD1 3.68Å; K408-L412 HydrophobicContact CG-CG 3.95Å; K408-L412 VanDerWaalsContact O-CG 3.31Å; K408-L412 WeakPolarHBondContact O-CG 3.41Å; K408-L412 PolarHBondContact O-N 3.42Å; E409-L412 PolarHBondContact O-N 2.91Å; R410-L412 VanDerWaalsContact C-N 3.35Å; R410-L412 PolarHBondContact O-N 3.41Å; L412-A415 PolarHBondContact O-N 3.31Å; L412-I416 VanDerWaalsContact O-CG1 3.3Å; L412-I416 WeakPolarHBondContact O-CG1 3.49Å; L412-I416 PolarHBondContact O-N 2.79Å; L412-L438 HydrophobicContact CD2-CD1 4.23Å; L412-L438 HydrophobicContact CD2-CD2 3.91Å; L412-L438 HydrophobicContact CG-CD2 4.33Å
413L93.9Very high90.3Very high0 Ų047.5 Ų47.50%023%0.233CC..Hα-helixtrans-63-46175.7-175.860.6000111.3V342 F346 F351 P352 I355 E409 R410 A415 I416 E417V342-L413 HydrophobicContact CB-CD1 4.46Å; V342-L413 HydrophobicContact CG2-CD1 4.01Å; F346-L413 HydrophobicContact CE2-CD1 3.99Å; F351-L413 HydrophobicContact CD1-CD1 4.48Å; F351-L413 HydrophobicContact CD1-CD2 3.97Å; F351-L413 HydrophobicContact CD1-CG 4.12Å; P352-L413 HydrophobicContact CG-CD2 4.37Å; I355-L413 HydrophobicContact CD1-CD2 4.33Å; E409-L413 WeakPolarHBondContact O-CB 3.4Å; E409-L413 PolarHBondContact O-N 3.37Å; R410-L413 PolarHBondContact O-N 3.38Å; L413-A415 VanDerWaalsContact C-N 3.3Å; L413-A415 PolarHBondContact O-N 3.27Å; L413-I416 PolarHBondContact O-N 2.94Å; L413-E417 PolarHBondContact O-N 3.03Å
414D94.2Very high90.5Very high14 Ų1450.8 Ų50.88%0.07525%0.25CS..Hα-helixtrans-60.3-41.2173.7-65.7-18.3000111.2R410 I416 E417 I418 H432 S434R410-D414 IonicContact CZ-OD1 3.62Å; R410-D414 VanDerWaalsContact CZ-OD1 3.25Å; R410-D414 IonicContact NE-OD1 3.48Å; R410-D414 PolarHBondContact NE-OD1 2.79Å; R410-D414 IonicContact NE-OD2 2.89Å; R410-D414 IonicContact NH2-OD1 3.72Å; R410-D414 PolarHBondContact NH2-OD1 3.21Å; R410-D414 PolarHBondContact O-N 3.38Å; D414-I416 VanDerWaalsContact C-N 3.35Å; D414-I416 PolarHBondContact O-N 2.92Å; D414-E417 PolarHBondContact O-N 3.23Å; D414-I418 WeakPolarHBondContact O-CD1 3.28Å; D414-I418 VanDerWaalsContact O-CG1 3.25Å; D414-I418 WeakPolarHBondContact O-CG1 3.23Å; D414-I418 PolarHBondContact O-N 3.2Å; D414-H432 IonicContact OD2-CE1 2.58Å; D414-S434 WeakPolarHBondContact OD2-CB 3.33Å; D414-S434 PolarHBondContact OD2-OG 2.83Å
415A96.2Very high90.8Very high0 Ų051 Ų510%025%0.249CC..Hα-helixtrans-63.6-39.6177.800000112.4I397 Y411 L412 L413 A419 L426 I435 L438I397-A415 HydrophobicContact CG1-CB 4.21Å; Y411-A415 WeakPolarHBondContact O-CB 3.47Å; Y411-A415 PolarHBondContact O-N 2.92Å; L412-A415 PolarHBondContact O-N 3.31Å; L413-A415 VanDerWaalsContact C-N 3.3Å; L413-A415 PolarHBondContact O-N 3.27Å; A415-A419 WeakPolarHBondContact O-CB 3.28Å; A415-A419 PolarHBondContact O-N 2.93Å; A415-L426 HydrophobicContact CB-CD1 4.17Å; A415-I435 HydrophobicContact CB-CD1 3.75Å; A415-L438 HydrophobicContact CB-CD1 3.78Å
416I95.8Very high91.1Very high0 Ų048.7 Ų48.70%024%0.238CC..Hα-helixtrans-65.1-43.5174.1-69.6164.5000110.4F338 V342 F346 L385 I397 L412 L413 D414 A419 L420F338-I416 HydrophobicContact CE1-CD1 3.87Å; F338-I416 HydrophobicContact CZ-CD1 4.15Å; V342-I416 HydrophobicContact CG1-CD1 4.36Å; V342-I416 HydrophobicContact CG1-CG2 4.32Å; V342-I416 HydrophobicContact CG2-CD1 3.79Å; F346-I416 HydrophobicContact CE2-CG2 3.77Å; F346-I416 HydrophobicContact CZ-CG2 3.95Å; L385-I416 HydrophobicContact CD1-CD1 4.1Å; L385-I416 HydrophobicContact CD1-CG1 4.48Å; L385-I416 HydrophobicContact CD1-CG2 4.32Å; L385-I416 HydrophobicContact CD2-CG2 3.82Å; I397-I416 HydrophobicContact CD1-CG1 3.86Å; I397-I416 HydrophobicContact CG2-CD1 4.43Å; I397-I416 HydrophobicContact CG2-CG1 4.17Å; L412-I416 VanDerWaalsContact O-CG1 3.3Å; L412-I416 WeakPolarHBondContact O-CG1 3.49Å; L412-I416 PolarHBondContact O-N 2.79Å; L413-I416 PolarHBondContact O-N 2.94Å; D414-I416 VanDerWaalsContact C-N 3.35Å; D414-I416 PolarHBondContact O-N 2.92Å; I416-A419 PolarHBondContact O-N 3.24Å; I416-L420 HydrophobicContact CG2-CD1 3.85Å; I416-L420 HydrophobicContact CG2-CG 4.39Å; I416-L420 WeakPolarHBondContact O-CB 3.31Å; I416-L420 VanDerWaalsContact O-CG 3.26Å; I416-L420 WeakPolarHBondContact O-CG 3.1Å; I416-L420 PolarHBondContact O-N 3.28Å
417E94.6Very high91.4Very high53 Ų5344.7 Ų44.725%0.24822%0.219CC..Hα-helixtrans-59.5-50.9177.3-174.6179.4-17600111.7F346 L413 D414 A419 L420 Q421F346-E417 HydrophobicContact CE1-CB 4.39Å; F346-E417 HydrophobicContact CE1-CG 4.39Å; F346-E417 HydrophobicContact CZ-CB 3.95Å; F346-E417 HydrophobicContact CZ-CG 4.43Å; L413-E417 PolarHBondContact O-N 3.03Å; D414-E417 PolarHBondContact O-N 3.23Å; E417-A419 VanDerWaalsContact C-N 3.34Å; E417-A419 PolarHBondContact O-N 2.91Å; E417-L420 PolarHBondContact O-N 3.15Å; E417-Q421 WeakPolarHBondContact O-CG 2.93Å; E417-Q421 PolarHBondContact O-N 2.92Å; E417-Q421 PolarHBondContact OE1-NE2 3.44Å
418I94.2Very high91.7Very high25 Ų2547.6 Ų47.613%0.12823%0.226CC..Hα-helixtrans-59.9-46.8177.6-64.7162.9000109.9D414 L420 Q421 T422 L426 H432 I435D414-I418 WeakPolarHBondContact O-CD1 3.28Å; D414-I418 VanDerWaalsContact O-CG1 3.25Å; D414-I418 WeakPolarHBondContact O-CG1 3.23Å; D414-I418 PolarHBondContact O-N 3.2Å; I418-L420 PolarHBondContact O-N 3.14Å; I418-Q421 PolarHBondContact O-N 3.41Å; I418-T422 HydrophobicContact CG2-CG2 4.13Å; I418-T422 WeakPolarHBondContact O-CG2 3.44Å; I418-T422 PolarHBondContact O-N 3.47Å; I418-L426 HydrophobicContact CB-CD2 4.02Å; I418-L426 HydrophobicContact CG2-CD2 3.71Å; I418-H432 HydrophobicContact CD1-CB 4.18Å; I418-I435 HydrophobicContact CD1-CD1 4.03Å; I418-I435 HydrophobicContact CD1-CG1 3.79Å
419A95Very high91.8Very high6 Ų649.2 Ų49.25%0.0523%0.234CC..Hα-helixtrans-63.9-27.2-178.200000113.5L389 N393 I397 A415 I416 E417 L426L389-A419 HydrophobicContact CD1-CB 4.21Å; L389-A419 HydrophobicContact CD2-CB 3.68Å; L389-A419 WeakPolarHBondContact CD2-O 3.24Å; N393-A419 HydrophobicContact CB-CB 4.39Å; I397-A419 HydrophobicContact CD1-CB 4.29Å; A415-A419 WeakPolarHBondContact O-CB 3.28Å; A415-A419 PolarHBondContact O-N 2.93Å; I416-A419 PolarHBondContact O-N 3.24Å; E417-A419 VanDerWaalsContact C-N 3.34Å; E417-A419 PolarHBondContact O-N 2.91Å; A419-L426 HydrophobicContact CB-CD1 4.11Å; A419-L426 HydrophobicContact CB-CD2 4.03Å; A419-L426 HydrophobicContact CB-CG 4.18Å
420L94.2Very high91.7Very high46 Ų4651.4 Ų51.424%0.24125%0.246CC..Hα-helixtrans-79.8-20.8175.4-72.9170.6000113.2F346 L385 R388 L389 I416 E417 I418F346-L420 HydrophobicContact CD1-CD1 4.39Å; F346-L420 HydrophobicContact CE1-CD1 3.74Å; F346-L420 HydrophobicContact CE2-CD1 4.26Å; F346-L420 HydrophobicContact CZ-CD1 3.69Å; L385-L420 HydrophobicContact CD2-CD1 4.33Å; L385-L420 HydrophobicContact CD2-CD2 4.28Å; R388-L420 HydrophobicContact CG-CD2 4.08Å; L389-L420 HydrophobicContact CD2-CD2 3.75Å; L389-L420 HydrophobicContact CD2-CG 4.06Å; I416-L420 HydrophobicContact CG2-CD1 3.85Å; I416-L420 HydrophobicContact CG2-CG 4.39Å; I416-L420 WeakPolarHBondContact O-CB 3.31Å; I416-L420 VanDerWaalsContact O-CG 3.26Å; I416-L420 WeakPolarHBondContact O-CG 3.1Å; I416-L420 PolarHBondContact O-N 3.28Å; E417-L420 PolarHBondContact O-N 3.15Å; I418-L420 PolarHBondContact O-N 3.14Å
421Q91.9Very high91.4Very high147 Ų14752.4 Ų52.469%0.68728%0.275SS*.Hα-helixtrans-99.9-20.6-178.4-65.5176.69.900113.2E417 I418E417-Q421 WeakPolarHBondContact O-CG 2.93Å; E417-Q421 PolarHBondContact O-N 2.92Å; E417-Q421 PolarHBondContact OE1-NE2 3.44Å; I418-Q421 PolarHBondContact O-N 3.41Å
422T89.7Confident91.2Very high37 Ų3752.4 Ų52.423%0.22728%0.278CS..  trans-113149.3-178.1-163.40000112.9I418 D424 H429I418-T422 HydrophobicContact CG2-CG2 4.13Å; I418-T422 WeakPolarHBondContact O-CG2 3.44Å; I418-T422 PolarHBondContact O-N 3.47Å; T422-D424 PolarHBondContact OG1-N 2.78Å; T422-D424 VanDerWaalsContact OG1-N 3.16Å; T422-H429 PolarHBondContact OG1-NE2 3.25Å
423K86Confident90.9Very high192 Ų19256.9 Ų56.984%0.83531%0.307SS*.SBendtrans-92.2-10.1166.2-65.8-173.7178.5-177.90112.5R390R390-K423 VanDerWaalsContact CD-O 3.27Å; R390-K423 WeakPolarHBondContact CD-O 2.99Å; R390-K423 PolarHBondContact NH1-O 3.02Å; R390-K423 VanDerWaalsContact NH1-O 3.09Å
424D91.1Very high90.8Very high69 Ų6957.2 Ų57.237%0.36931%0.309SS..SBendtrans-78165.9-179-162.411.6000111.6N393 T422 N428N393-D424 PolarHBondContact ND2-O 3.21Å; T422-D424 PolarHBondContact OG1-N 2.78Å; T422-D424 VanDerWaalsContact OG1-N 3.16Å; D424-N428 PolarHBondContact OD1-ND2 2.89Å; D424-N428 WeakPolarHBondContact OD2-CB 3.43Å; D424-N428 PolarHBondContact OD2-ND2 3.26Å
425L91.3Very high90.8Very high48 Ų4856.6 Ų56.625%0.25131%0.306SS..  trans-71.1133.9174.4-67.1175.2000110.1R390 E392 N393 E427 N428 H429R390-L425 VanDerWaalsContact CZ-CD2 3.48Å; E392-L425 HydrophobicContact CB-CD2 3.59Å; E392-L425 HydrophobicContact CG-CD2 4.08Å; N393-L425 WeakPolarHBondContact OD1-CA 3.47Å; L425-E427 PolarHBondContact O-N 2.85Å; L425-E427 VanDerWaalsContact O-N 3.1Å; L425-N428 WeakPolarHBondContact O-CB 3.48Å; L425-N428 PolarHBondContact O-N 3.46Å; L425-H429 PolarHBondContact O-CD2 3.16Å; L425-H429 VanDerWaalsContact O-CD2 3.31Å
426L92Very high90.6Very high0 Ų059.7 Ų59.70%032%0.322CS..G310 helixtrans-53.3-33.6173.2-76.3-179.7000111.6N393 F396 I397 A415 I418 A419 N428 H429 I435N393-L426 HydrophobicContact CB-CD1 4.22Å; N393-L426 HydrophobicContact CB-CG 4.2Å; N393-L426 PolarHBondContact OD1-N 3.16Å; F396-L426 HydrophobicContact CB-CD1 4.4Å; F396-L426 HydrophobicContact CD1-CB 3.97Å; F396-L426 HydrophobicContact CD1-CD1 3.64Å; F396-L426 HydrophobicContact CD1-CG 4.49Å; F396-L426 HydrophobicContact CE1-CB 4.3Å; F396-L426 HydrophobicContact CE1-CD1 4.32Å; F396-L426 HydrophobicContact CG-CB 4.21Å; F396-L426 HydrophobicContact CG-CD1 4.31Å; I397-L426 HydrophobicContact CD1-CD1 4.09Å; I397-L426 HydrophobicContact CG1-CD1 3.86Å; A415-L426 HydrophobicContact CB-CD1 4.17Å; I418-L426 HydrophobicContact CB-CD2 4.02Å; I418-L426 HydrophobicContact CG2-CD2 3.71Å; A419-L426 HydrophobicContact CB-CD1 4.11Å; A419-L426 HydrophobicContact CB-CD2 4.03Å; A419-L426 HydrophobicContact CB-CG 4.18Å; L426-N428 PolarHBondContact O-N 3.28Å; L426-N428 VanDerWaalsContact O-N 3.1Å; L426-H429 PolarHBondContact O-N 2.78Å; L426-I435 HydrophobicContact CD2-CD1 3.88Å; L426-I435 WeakPolarHBondContact O-CG2 3.47Å
427E88.7Confident90.3Very high98 Ų9860.7 Ų60.746%0.45833%0.331SS..G310 helixtrans-60.2-19.4176.5-69.2-159.4-154.700115.1F396 L425 L430 R439F396-E427 HydrophobicContact CD2-CG 3.71Å; F396-E427 HydrophobicContact CE2-CG 3.88Å; L425-E427 PolarHBondContact O-N 2.85Å; L425-E427 VanDerWaalsContact O-N 3.1Å; E427-L430 VanDerWaalsContact O-CD2 3.26Å; E427-L430 WeakPolarHBondContact O-CD2 3.48Å; E427-L430 VanDerWaalsContact O-CG 3.26Å; E427-L430 WeakPolarHBondContact O-CG 3.38Å; E427-R439 IonicContact OE2-NE 2.95Å; E427-R439 IonicContact OE2-NH2 3.93Å
428N88.1Confident90.3Very high96 Ų9658.2 Ų58.251%0.51332%0.319SS..G310 helixtrans-85.5-17.8176.1-65.6-21.3000112.3D424 L425 L426 L430D424-N428 PolarHBondContact OD1-ND2 2.89Å; D424-N428 WeakPolarHBondContact OD2-CB 3.43Å; D424-N428 PolarHBondContact OD2-ND2 3.26Å; L425-N428 WeakPolarHBondContact O-CB 3.48Å; L425-N428 PolarHBondContact O-N 3.46Å; L426-N428 PolarHBondContact O-N 3.28Å; L426-N428 VanDerWaalsContact O-N 3.1Å; N428-L430 PolarHBondContact O-N 2.96Å
429H88.8Confident90.2Very high56 Ų5660.3 Ų60.326%0.25933%0.325SS..  trans-84.540.1-178.3-69.4-87.6000113.5T422 L425 L426 G431 H432 I435T422-H429 PolarHBondContact OG1-NE2 3.25Å; L425-H429 PolarHBondContact O-CD2 3.16Å; L425-H429 VanDerWaalsContact O-CD2 3.31Å; L426-H429 PolarHBondContact O-N 2.78Å; H429-G431 PolarHBondContact O-N 2.92Å; H429-G431 VanDerWaalsContact O-N 3.12Å; H429-H432 WeakPolarHBondContact O-CB 3.43Å; H429-H432 PolarHBondContact O-N 3.4Å; H429-I435 HydrophobicContact CB-CG1 4.25Å; H429-I435 HydrophobicContact CB-CG2 4.3Å; H429-I435 WeakPolarHBondContact O-CB 3.45Å
430L84.6Confident90Very high61 Ų6165.8 Ų65.832%0.31935%0.348SS..THydrogen-bonded Turntrans-68-12.6-174.9-55.9173.1000114.6E427 N428 R439E427-L430 VanDerWaalsContact O-CD2 3.26Å; E427-L430 WeakPolarHBondContact O-CD2 3.48Å; E427-L430 VanDerWaalsContact O-CG 3.26Å; E427-L430 WeakPolarHBondContact O-CG 3.38Å; N428-L430 PolarHBondContact O-N 2.96Å; L430-R439 VanDerWaalsContact CD2-NH1 3.26Å
431G81.7Confident89.8Confident82 Ų8264.1 Ų64.185%0.84534%0.34SS*.THydrogen-bonded Turntrans-68.1-22.8170.600000112.6H429H429-G431 PolarHBondContact O-N 2.92Å; H429-G431 VanDerWaalsContact O-N 3.12Å
432H88.7Confident89.8Confident70 Ų7057.6 Ų57.632%0.32431%0.31SS..SBendtrans-81.6125.5177.9-161.8-81.1000110.8D414 I418 H429 S434 I435 L436D414-H432 IonicContact OD2-CE1 2.58Å; I418-H432 HydrophobicContact CD1-CB 4.18Å; H429-H432 WeakPolarHBondContact O-CB 3.43Å; H429-H432 PolarHBondContact O-N 3.4Å; H432-S434 VanDerWaalsContact C-N 3.29Å; H432-S434 PolarHBondContact CE1-OG 3.33Å; H432-S434 WeakPolarHBondContact ND1-CB 3.43Å; H432-S434 PolarHBondContact ND1-N 3.32Å; H432-S434 PolarHBondContact ND1-OG 2.84Å; H432-S434 PolarHBondContact O-N 2.88Å; H432-I435 HydrophobicContact CB-CB 4.17Å; H432-I435 HydrophobicContact CB-CG1 3.89Å; H432-I435 PolarHBondContact O-N 2.65Å; H432-L436 PolarHBondContact O-N 3.38Å
433P89Confident89.8Confident95 Ų9562.9 Ų62.962%0.61733%0.326SS*.Hα-helixtrans-54-43.4-177.5-27.634.9000113.5L436 A437P433-L436 PolarHBondContact O-N 3.38Å; P433-A437 WeakPolarHBondContact O-CB 3.39Å; P433-A437 PolarHBondContact O-N 3.26Å
434S91.7Very high89.9Confident7 Ų756.8 Ų56.85%0.04931%0.305CS..Hα-helixtrans-63.4-43.6-179.6-44.10000113Y411 D414 H432 A437 L438Y411-S434 VanDerWaalsContact CD1-CB 3.49Å; Y411-S434 WeakPolarHBondContact CD1-OG 3.18Å; D414-S434 WeakPolarHBondContact OD2-CB 3.33Å; D414-S434 PolarHBondContact OD2-OG 2.83Å; H432-S434 VanDerWaalsContact C-N 3.29Å; H432-S434 PolarHBondContact CE1-OG 3.33Å; H432-S434 WeakPolarHBondContact ND1-CB 3.43Å; H432-S434 PolarHBondContact ND1-N 3.32Å; H432-S434 PolarHBondContact ND1-OG 2.84Å; H432-S434 PolarHBondContact O-N 2.88Å; S434-A437 PolarHBondContact O-N 3.31Å; S434-L438 WeakPolarHBondContact O-CB 3.27Å; S434-L438 WeakPolarHBondContact O-CG 2.97Å; S434-L438 PolarHBondContact O-N 2.88Å
435I93.5Very high89.9Confident0 Ų053.5 Ų53.50%029%0.287CS..Hα-helixtrans-67.1-41.9178.1-60.9-56000110.6F396 A415 I418 L426 H429 H432 A437 R439F396-I435 HydrophobicContact CE1-CD1 4.45Å; F396-I435 HydrophobicContact CZ-CG2 4.31Å; A415-I435 HydrophobicContact CB-CD1 3.75Å; I418-I435 HydrophobicContact CD1-CD1 4.03Å; I418-I435 HydrophobicContact CD1-CG1 3.79Å; L426-I435 HydrophobicContact CD2-CD1 3.88Å; L426-I435 WeakPolarHBondContact O-CG2 3.47Å; H429-I435 HydrophobicContact CB-CG1 4.25Å; H429-I435 HydrophobicContact CB-CG2 4.3Å; H429-I435 WeakPolarHBondContact O-CB 3.45Å; H432-I435 HydrophobicContact CB-CB 4.17Å; H432-I435 HydrophobicContact CB-CG1 3.89Å; H432-I435 PolarHBondContact O-N 2.65Å; I435-A437 VanDerWaalsContact C-N 3.34Å; I435-R439 VanDerWaalsContact O-CB 3.29Å; I435-R439 WeakPolarHBondContact O-CB 3.28Å; I435-R439 PolarHBondContact O-N 3.43Å
436L91.1Very high89.8Confident65 Ų6554.7 Ų54.734%0.3429%0.293SS..Hα-helixtrans-63.8-40.4176.5-177.462.2000111.9H432 P433 K440H432-L436 PolarHBondContact O-N 3.38Å; P433-L436 PolarHBondContact O-N 3.38Å; L436-K440 HydrophobicContact CG-CD 4.5Å; L436-K440 WeakPolarHBondContact O-CG 3.42Å; L436-K440 PolarHBondContact O-N 3.08Å; L436-K440 VanDerWaalsContact O-N 3.09Å
437A90.6Very high89.4Confident22 Ų2256.3 Ų56.318%0.18231%0.31CS..Hα-helixtrans-64.2-50.4177.200000111.4L405 Y411 P433 S434 I435 R439 K440 S441L405-A437 HydrophobicContact CD2-CB 4.03Å; Y411-A437 HydrophobicContact CD2-CB 4.45Å; Y411-A437 HydrophobicContact CE1-CB 4.5Å; Y411-A437 HydrophobicContact CE2-CB 4.29Å; P433-A437 WeakPolarHBondContact O-CB 3.39Å; P433-A437 PolarHBondContact O-N 3.26Å; S434-A437 PolarHBondContact O-N 3.31Å; I435-A437 VanDerWaalsContact C-N 3.34Å; A437-R439 PolarHBondContact O-N 3.31Å; A437-K440 PolarHBondContact O-N 3.49Å; A437-S441 PolarHBondContact O-N 3.12Å
438L94.1Very high89.4Confident0 Ų053.2 Ų53.20%030%0.295CS..Hα-helixtrans-57.1-49.9175.1-73.6171.6000111.3F396 L405 L412 A415 S434 K440 S441 I442F396-L438 HydrophobicContact CE1-CB 3.91Å; F396-L438 HydrophobicContact CE1-CD1 4.08Å; F396-L438 HydrophobicContact CZ-CB 3.96Å; L405-L438 HydrophobicContact CD2-CD2 4.16Å; L412-L438 HydrophobicContact CD2-CD1 4.23Å; L412-L438 HydrophobicContact CD2-CD2 3.91Å; L412-L438 HydrophobicContact CG-CD2 4.33Å; A415-L438 HydrophobicContact CB-CD1 3.78Å; S434-L438 WeakPolarHBondContact O-CB 3.27Å; S434-L438 WeakPolarHBondContact O-CG 2.97Å; S434-L438 PolarHBondContact O-N 2.88Å; L438-K440 VanDerWaalsContact C-N 3.29Å; L438-K440 PolarHBondContact O-N 2.8Å; L438-S441 PolarHBondContact O-N 3.43Å; L438-S441 VanDerWaalsContact O-N 3.1Å; L438-I442 HydrophobicContact CB-CD1 4.36Å; L438-I442 WeakPolarHBondContact O-CB 3.47Å; L438-I442 WeakPolarHBondContact O-CG1 3.47Å; L438-I442 PolarHBondContact O-N 3.27Å
439R92.7Very high89.4Confident69 Ų6949.6 Ų49.626%0.2628%0.276SS..Hα-helixtrans-59.1-39.6-179.4-172.8178.3-172.4-154.27.2112.7F396 E427 L430 I435 A437 R443F396-R439 HydrophobicContact CE2-CB 4.11Å; F396-R439 HydrophobicContact CE2-CG 4.42Å; F396-R439 HydrophobicContact CZ-CB 4.09Å; E427-R439 IonicContact OE2-NE 2.95Å; E427-R439 IonicContact OE2-NH2 3.93Å; L430-R439 VanDerWaalsContact CD2-NH1 3.26Å; I435-R439 VanDerWaalsContact O-CB 3.29Å; I435-R439 WeakPolarHBondContact O-CB 3.28Å; I435-R439 PolarHBondContact O-N 3.43Å; A437-R439 PolarHBondContact O-N 3.31Å; R439-R443 WeakPolarHBondContact O-CB 3.45Å; R439-R443 PolarHBondContact O-N 3.04Å
440K89.4Confident89.1Confident121 Ų12153.5 Ų53.553%0.52629%0.294SS..Hα-helixtrans-65.3-43.1176.4-77.6175.2-179.7174.50111.4L436 A437 L438 T444L436-K440 HydrophobicContact CG-CD 4.5Å; L436-K440 WeakPolarHBondContact O-CG 3.42Å; L436-K440 PolarHBondContact O-N 3.08Å; L436-K440 VanDerWaalsContact O-N 3.09Å; A437-K440 PolarHBondContact O-N 3.49Å; L438-K440 VanDerWaalsContact C-N 3.29Å; L438-K440 PolarHBondContact O-N 2.8Å; K440-T444 PolarHBondContact O-N 2.79Å; K440-T444 PolarHBondContact O-OG1 3.22Å
441S91.6Very high88.9Confident11 Ų1155.5 Ų55.58%0.07731%0.305CS..Hα-helixtrans-69-47.1178.9-166.30000111.5A403 T404 A437 L438 R443 T444 M445A403-S441 WeakPolarHBondContact CB-OG 3.08Å; T404-S441 PolarHBondContact O-OG 2.93Å; A437-S441 PolarHBondContact O-N 3.12Å; L438-S441 PolarHBondContact O-N 3.43Å; L438-S441 VanDerWaalsContact O-N 3.1Å; S441-R443 VanDerWaalsContact C-N 3.31Å; S441-R443 PolarHBondContact O-N 3.4Å; S441-T444 WeakPolarHBondContact O-CA 3.33Å; S441-T444 WeakPolarHBondContact O-CB 3.4Å; S441-T444 PolarHBondContact O-N 2.85Å; S441-M445 PolarHBondContact O-N 3.29Å
442I92.3Very high89.1Confident11 Ų1153.1 Ų53.16%0.05627%0.272CS..Hα-helixtrans-53.3-46.7174.4-68.1166000111.5F396 N399 A403 L438 T444 M445 L446F396-I442 HydrophobicContact CD1-CD1 4.32Å; F396-I442 HydrophobicContact CD2-CD1 3.94Å; F396-I442 HydrophobicContact CE1-CD1 4.16Å; F396-I442 HydrophobicContact CE2-CD1 3.76Å; F396-I442 HydrophobicContact CG-CD1 4.22Å; F396-I442 HydrophobicContact CZ-CD1 3.88Å; F396-I442 WeakPolarHBondContact O-CD1 3.46Å; N399-I442 HydrophobicContact CB-CD1 3.93Å; N399-I442 HydrophobicContact CB-CG1 3.9Å; N399-I442 HydrophobicContact CB-CG2 3.85Å; A403-I442 HydrophobicContact CB-CG1 4.3Å; L438-I442 HydrophobicContact CB-CD1 4.36Å; L438-I442 WeakPolarHBondContact O-CB 3.47Å; L438-I442 WeakPolarHBondContact O-CG1 3.47Å; L438-I442 PolarHBondContact O-N 3.27Å; I442-T444 PolarHBondContact O-N 3.32Å; I442-M445 PolarHBondContact O-N 2.94Å; I442-L446 HydrophobicContact CG2-CD1 3.93Å; I442-L446 HydrophobicContact CG2-CG 4.34Å; I442-L446 WeakPolarHBondContact O-CG 3.39Å; I442-L446 PolarHBondContact O-N 2.85Å
443R89.7Confident89Confident148 Ų14850.9 Ų50.956%0.55826%0.264SS*.Hα-helixtrans-60.2-37.2177.6-175.9-178.1-61.9154.12.6112.2R439 S441 G447R439-R443 WeakPolarHBondContact O-CB 3.45Å; R439-R443 PolarHBondContact O-N 3.04Å; S441-R443 VanDerWaalsContact C-N 3.31Å; S441-R443 PolarHBondContact O-N 3.4Å; R443-G447 PolarHBondContact O-N 2.9Å; R443-G447 VanDerWaalsContact O-N 3.14Å
444T87.6Confident88.2Confident64 Ų6449.2 Ų49.239%0.39326%0.264SS..Hα-helixtrans-71.9-44.6179.7-50.90000110.6K440 S441 I442 G447 E448K440-T444 PolarHBondContact O-N 2.79Å; K440-T444 PolarHBondContact O-OG1 3.22Å; S441-T444 WeakPolarHBondContact O-CA 3.33Å; S441-T444 WeakPolarHBondContact O-CB 3.4Å; S441-T444 PolarHBondContact O-N 2.85Å; I442-T444 PolarHBondContact O-N 3.32Å; T444-G447 PolarHBondContact O-N 2.82Å; T444-E448 PolarHBondContact O-N 3.42Å
445M91.6Very high87.5Confident0 Ų056 Ų560%029%0.293CS..Hα-helixtrans-55.3-50.6173.1179-169.583.300112N399 Y402 A403 S441 I442 G447 E448 N449 H473 V475 Y478N399-M445 HydrophobicContact CB-CE 4.33Å; Y402-M445 WeakPolarHBondContact CB-SD 3.43Å; A403-M445 HydrophobicContact CB-CB 4.39Å; A403-M445 HydrophobicContact CB-SD 4.22Å; S441-M445 PolarHBondContact O-N 3.29Å; I442-M445 PolarHBondContact O-N 2.94Å; M445-G447 VanDerWaalsContact C-N 3.29Å; M445-G447 PolarHBondContact O-N 2.82Å; M445-E448 PolarHBondContact O-N 2.99Å; M445-N449 PolarHBondContact O-N 2.81Å; M445-H473 HydrophobicContact CB-CB 3.76Å; M445-H473 HydrophobicContact CG-CB 3.57Å; M445-V475 HydrophobicContact CG-CG1 4.23Å; M445-Y478 HydrophobicContact CE-CD2 4.19Å; M445-Y478 HydrophobicContact CE-CE2 3.62Å; M445-Y478 HydrophobicContact SD-CE2 4.44Å
446L88.4Confident87Confident72 Ų7257 Ų5738%0.37730%0.299SS..Hα-helixtrans-63.8-36.1-179.8-69.3175.1000112.1I442 H450I442-L446 HydrophobicContact CG2-CD1 3.93Å; I442-L446 HydrophobicContact CG2-CG 4.34Å; I442-L446 WeakPolarHBondContact O-CG 3.39Å; I442-L446 PolarHBondContact O-N 2.85Å; L446-H450 WeakPolarHBondContact O-CB 3.29Å; L446-H450 PolarHBondContact O-N 3.32Å
447G84.1Confident86.5Confident34 Ų3464 Ų6435%0.35132%0.321SS..Hα-helixtrans-66-41.7173.500000112.9R443 T444 M445 H450 L451R443-G447 PolarHBondContact O-N 2.9Å; R443-G447 VanDerWaalsContact O-N 3.14Å; T444-G447 PolarHBondContact O-N 2.82Å; M445-G447 VanDerWaalsContact C-N 3.29Å; M445-G447 PolarHBondContact O-N 2.82Å; G447-H450 PolarHBondContact O-N 2.67Å; G447-L451 WeakPolarHBondContact O-CG 3.28Å; G447-L451 PolarHBondContact O-N 2.82Å
448E88.5Confident86.3Confident33 Ų3365.6 Ų65.615%0.15432%0.324CS..Hα-helixtrans-64.3-45.9174.7-178.4170.9-115.300111.7T444 M445 H450 L451 L452 K472 H473 V475T444-E448 PolarHBondContact O-N 3.42Å; M445-E448 PolarHBondContact O-N 2.99Å; E448-H450 VanDerWaalsContact C-N 3.31Å; E448-H450 PolarHBondContact O-N 2.83Å; E448-L451 WeakPolarHBondContact O-CB 3.4Å; E448-L451 PolarHBondContact O-N 2.66Å; E448-L451 VanDerWaalsContact O-N 3.15Å; E448-L452 HydrophobicContact CG-CD1 4.06Å; E448-L452 WeakPolarHBondContact O-CG 3.5Å; E448-L452 PolarHBondContact O-N 2.96Å; E448-K472 VanDerWaalsContact CD-N 3.29Å; E448-K472 WeakPolarHBondContact OE1-CB 3.49Å; E448-K472 PolarHBondContact OE1-N 3.46Å; E448-K472 PolarHBondContact OE2-N 3.4Å; E448-K472 VanDerWaalsContact OE2-N 3.12Å; E448-H473 IonicContact OE2-CE1 2.83Å; E448-H473 IonicContact OE2-CG 3.94Å; E448-H473 PolarHBondContact OE2-N 3.37Å; E448-H473 IonicContact OE2-ND1 3.81Å; E448-H473 PolarHBondContact OE2-ND1 3.3Å; E448-V475 HydrophobicContact CG-CG1 4.49Å
449N88.4Confident85.6Confident21 Ų2170.9 Ų70.911%0.11235%0.348CS..Hα-helixtrans-56.3-46.5173.5-178.765.3000111.1M445 L451 L452 T453 V475 Y478 L479M445-N449 PolarHBondContact O-N 2.81Å; N449-L451 VanDerWaalsContact C-N 3.33Å; N449-L451 PolarHBondContact O-N 3.03Å; N449-L452 PolarHBondContact O-N 3.29Å; N449-T453 VanDerWaalsContact O-CG2 3.24Å; N449-T453 WeakPolarHBondContact O-CG2 3.48Å; N449-T453 PolarHBondContact O-N 3.49Å; N449-V475 HydrophobicContact CB-CB 4.34Å; N449-V475 HydrophobicContact CB-CG1 4.12Å; N449-Y478 WeakPolarHBondContact OD1-CB 3.29Å; N449-L479 PolarHBondContact OD1-N 3.32Å
450H81.7Confident84.9Confident138 Ų13871.7 Ų71.764%0.63935%0.352SS*.Hα-helixtrans-60.7-40.2177.2-176.162.3000112.7L446 G447 E448 T453L446-H450 WeakPolarHBondContact O-CB 3.29Å; L446-H450 PolarHBondContact O-N 3.32Å; G447-H450 PolarHBondContact O-N 2.67Å; E448-H450 VanDerWaalsContact C-N 3.31Å; E448-H450 PolarHBondContact O-N 2.83Å; H450-T453 PolarHBondContact O-N 2.88Å; H450-T453 PolarHBondContact O-OG1 3.42Å
451L79.8Confident84.2Confident103 Ų10367.1 Ų67.154%0.53933%0.334SS..Hα-helixtrans-62.2-49173.6-71.6169.3000111.1G447 E448 N449 T453 G454 F455G447-L451 WeakPolarHBondContact O-CG 3.28Å; G447-L451 PolarHBondContact O-N 2.82Å; E448-L451 WeakPolarHBondContact O-CB 3.4Å; E448-L451 PolarHBondContact O-N 2.66Å; E448-L451 VanDerWaalsContact O-N 3.15Å; N449-L451 VanDerWaalsContact C-N 3.33Å; N449-L451 PolarHBondContact O-N 3.03Å; L451-T453 VanDerWaalsContact C-N 3.31Å; L451-T453 PolarHBondContact O-N 2.74Å; L451-G454 PolarHBondContact O-N 2.7Å; L451-F455 HydrophobicContact CB-CD2 4.41Å; L451-F455 HydrophobicContact CD2-CD2 4.27Å; L451-F455 HydrophobicContact CD2-CE2 3.96Å; L451-F455 WeakPolarHBondContact O-CB 3.38Å; L451-F455 WeakPolarHBondContact O-CD2 3.48Å; L451-F455 PolarHBondContact O-N 3.05Å
452L86.9Confident83.3Confident31 Ų3169 Ų6916%0.16236%0.355CS..Hα-helixtrans-60.5-40.1179.6-72.1166.1000111.9E448 N449 G454 F455 V456 I469 P471 V475 L479E448-L452 HydrophobicContact CG-CD1 4.06Å; E448-L452 WeakPolarHBondContact O-CG 3.5Å; E448-L452 PolarHBondContact O-N 2.96Å; N449-L452 PolarHBondContact O-N 3.29Å; L452-G454 PolarHBondContact O-N 3.45Å; L452-F455 PolarHBondContact O-N 3.02Å; L452-F455 VanDerWaalsContact O-N 3.12Å; L452-V456 HydrophobicContact CB-CG2 3.96Å; L452-V456 HydrophobicContact CD2-CG2 4.06Å; L452-V456 WeakPolarHBondContact O-CB 3.44Å; L452-V456 WeakPolarHBondContact O-CG2 3.43Å; L452-V456 PolarHBondContact O-N 2.95Å; L452-I469 HydrophobicContact CD2-CB 4.4Å; L452-I469 HydrophobicContact CD2-CG2 4.16Å; L452-P471 HydrophobicContact CD1-CB 3.92Å; L452-V475 HydrophobicContact CD1-CG2 3.75Å; L452-L479 HydrophobicContact CB-CD1 3.75Å; L452-L479 HydrophobicContact CB-CD2 4.32Å
453T85.4Confident82.5Confident23 Ų2373.8 Ų73.814%0.14138%0.381CS..Hα-helixtrans-56.6-28.1175.662.20000113.3N449 H450 L451 L479 H482N449-T453 VanDerWaalsContact O-CG2 3.24Å; N449-T453 WeakPolarHBondContact O-CG2 3.48Å; N449-T453 PolarHBondContact O-N 3.49Å; H450-T453 PolarHBondContact O-N 2.88Å; H450-T453 PolarHBondContact O-OG1 3.42Å; L451-T453 VanDerWaalsContact C-N 3.31Å; L451-T453 PolarHBondContact O-N 2.74Å; T453-L479 HydrophobicContact CG2-CD1 3.89Å; T453-H482 HydrophobicContact CG2-CB 4.07Å
454G72.2Confident82.2Confident61 Ų6168.1 Ų68.163%0.62936%0.362SS*.Hα-helixtrans-96.3-21177.100000115.6L451 L452L451-G454 PolarHBondContact O-N 2.7Å; L452-G454 PolarHBondContact O-N 3.45Å
455F77.5Confident82.2Confident149 Ų14965.6 Ų65.665%0.65435%0.347SS*.Hα-helixtrans-118.7-9.4-169.6-71.2-69.7000115.2L451 L452 R457L451-F455 HydrophobicContact CB-CD2 4.41Å; L451-F455 HydrophobicContact CD2-CD2 4.27Å; L451-F455 HydrophobicContact CD2-CE2 3.96Å; L451-F455 WeakPolarHBondContact O-CB 3.38Å; L451-F455 WeakPolarHBondContact O-CD2 3.48Å; L451-F455 PolarHBondContact O-N 3.05Å; L452-F455 PolarHBondContact O-N 3.02Å; L452-F455 VanDerWaalsContact O-N 3.12Å; F455-R457 PolarHBondContact O-N 3.09Å
456V83.7Confident82.1Confident21 Ų2166.1 Ų66.113%0.12735%0.349CS..  trans-57.8128.3171.9166.70000109.2L452 F458 S467 I469 L479 F483L452-V456 HydrophobicContact CB-CG2 3.96Å; L452-V456 HydrophobicContact CD2-CG2 4.06Å; L452-V456 WeakPolarHBondContact O-CB 3.44Å; L452-V456 WeakPolarHBondContact O-CG2 3.43Å; L452-V456 PolarHBondContact O-N 2.95Å; V456-F458 HydrophobicContact CG1-CD2 4.24Å; V456-F458 HydrophobicContact CG1-CE1 4.16Å; V456-F458 HydrophobicContact CG1-CE2 3.6Å; V456-F458 HydrophobicContact CG1-CZ 3.55Å; V456-S467 WeakPolarHBondContact CG1-OG 3.24Å; V456-I469 HydrophobicContact CG2-CG2 3.83Å; V456-L479 HydrophobicContact CG2-CD1 4.47Å; V456-L479 HydrophobicContact CG2-CD2 4.27Å; V456-F483 HydrophobicContact CB-CE2 4.08Å; V456-F483 HydrophobicContact CB-CZ 3.74Å; V456-F483 HydrophobicContact CG1-CE2 4.04Å; V456-F483 HydrophobicContact CG1-CZ 3.9Å; V456-F483 HydrophobicContact CG2-CE2 4.2Å; V456-F483 HydrophobicContact CG2-CZ 4.28Å
457R80.1Confident82.3Confident212 Ų21263 Ų6380%0.833%0.333SS*.  trans-111.6129.8180-62.6-174.4-177.6-179.31.4109F455 S467F455-R457 PolarHBondContact O-N 3.09Å; R457-S467 VanDerWaalsContact O-CB 3.25Å; R457-S467 WeakPolarHBondContact O-CB 3.44Å; R457-S467 PolarHBondContact O-OG 3.17Å
458F87Confident82.5Confident55 Ų5565.8 Ų65.824%0.24134%0.335CS..  trans-102.4140.1176.1-62.7-86.1000110.8V456 L465 F466 F483 L492 I494V456-F458 HydrophobicContact CG1-CD2 4.24Å; V456-F458 HydrophobicContact CG1-CE1 4.16Å; V456-F458 HydrophobicContact CG1-CE2 3.6Å; V456-F458 HydrophobicContact CG1-CZ 3.55Å; F458-L465 HydrophobicContact CB-CB 4.04Å; F458-L465 HydrophobicContact CB-CD2 3.93Å; F458-L465 HydrophobicContact CB-CG 4.45Å; F458-L465 HydrophobicContact CD1-CB 3.95Å; F458-L465 HydrophobicContact CG-CB 4.22Å; F458-F466 CarbonylContact C-O 3.51Å; F458-F466 VanDerWaalsContact CA-O 3.3Å; F458-F466 WeakPolarHBondContact CA-O 3.41Å; F458-F483 AromaticContact CE2-CD1 3.76Å; F458-F483 HydrophobicContact CE2-CD1 3.76Å; F458-F483 AromaticContact CE2-CE1 3.52Å; F458-F483 HydrophobicContact CE2-CE1 3.52Å; F458-F483 HydrophobicContact CE2-CG 4.42Å; F458-F483 AromaticContact CE2-CZ 3.97Å; F458-F483 HydrophobicContact CE2-CZ 3.97Å; F458-F483 AromaticContact CZ-CD1 3.73Å; F458-F483 HydrophobicContact CZ-CD1 3.73Å; F458-F483 HydrophobicContact CZ-CD2 4.15Å; F458-F483 AromaticContact CZ-CE1 3.83Å; F458-F483 HydrophobicContact CZ-CE1 3.83Å; F458-F483 HydrophobicContact CZ-CE2 4.19Å; F458-F483 AromaticContact CZ-CG 3.94Å; F458-F483 HydrophobicContact CZ-CG 3.94Å; F458-F483 HydrophobicContact CZ-CZ 4.07Å; F458-L492 HydrophobicContact CD1-CD2 4.07Å; F458-L492 HydrophobicContact CE1-CB 4.16Å; F458-L492 HydrophobicContact CE1-CD2 3.6Å; F458-L492 HydrophobicContact CE1-CG 4.47Å; F458-L492 HydrophobicContact CE2-CD2 4.18Å; F458-L492 HydrophobicContact CZ-CD2 3.66Å; F458-I494 HydrophobicContact CE1-CD1 4.21Å; F458-I494 HydrophobicContact CE1-CG1 3.82Å; F458-I494 HydrophobicContact CZ-CD1 4.09Å; F458-I494 HydrophobicContact CZ-CG1 4.2Å
459E78.9Confident82.5Confident111 Ų11164.7 Ų64.752%0.51933%0.33SS..EExtended strand (participates in β ladder)trans-111.4144.7166.757.2174.6-167.600110.2V461 L465 F466E459-V461 HydrophobicContact CG-CG2 4Å; E459-V461 PolarHBondContact O-N 2.94Å; E459-L465 CarbonylContact O-C 3.6Å; E459-L465 WeakPolarHBondContact O-CA 3.3Å; E459-F466 HydrophobicContact CG-CB 4.33Å; E459-F466 HydrophobicContact CG-CD1 4.34Å; E459-F466 WeakPolarHBondContact CG-O 3.26Å; E459-F466 PolarHBondContact N-O 3.22Å; E459-F466 PolarHBondContact O-N 3.19Å
460Y77.2Confident82.3Confident87 Ų8768.4 Ų68.434%0.34135%0.35SS..EExtended strand (participates in β ladder)trans-78.9117.9172.1-86-77.1000109.8L465Y460-L465 HydrophobicContact CD1-CD2 3.79Å; Y460-L465 HydrophobicContact CD1-CG 4.32Å; Y460-L465 HydrophobicContact CD2-CD2 3.77Å; Y460-L465 HydrophobicContact CE1-CD2 3.62Å; Y460-L465 HydrophobicContact CE1-CG 3.95Å; Y460-L465 HydrophobicContact CE2-CD2 3.61Å; Y460-L465 HydrophobicContact CG-CD2 3.87Å
461V76.1Confident82.6Confident25 Ų2562 Ų6215%0.15232%0.321CS..EExtended strand (participates in β ladder)trans-117.3100.6170.5-167.90000109.2E459 D463 V464 F466 F521E459-V461 HydrophobicContact CG-CG2 4Å; E459-V461 PolarHBondContact O-N 2.94Å; V461-D463 PolarHBondContact O-N 2.97Å; V461-D463 VanDerWaalsContact O-N 3.14Å; V461-V464 PolarHBondContact N-O 3.12Å; V461-V464 PolarHBondContact O-N 3.13Å; V461-V464 VanDerWaalsContact O-N 3.11Å; V461-F466 HydrophobicContact CG2-CB 3.85Å; V461-F521 HydrophobicContact CB-CD1 4.07Å; V461-F521 HydrophobicContact CB-CD2 4.49Å; V461-F521 HydrophobicContact CB-CE1 4.27Å; V461-F521 HydrophobicContact CB-CG 4.18Å; V461-F521 HydrophobicContact CG1-CB 3.42Å; V461-F521 VanDerWaalsContact CG1-CB 3.42Å; V461-F521 HydrophobicContact CG1-CD1 3.28Å; V461-F521 HydrophobicContact CG1-CD2 4.03Å; V461-F521 HydrophobicContact CG1-CE1 3.96Å; V461-F521 HydrophobicContact CG1-CG 3.31Å; V461-F521 HydrophobicContact CG2-CD2 4.22Å; V461-F521 HydrophobicContact CG2-CE2 4.43Å; V461-F521 HydrophobicContact CG2-CG 4.34Å
462G73Confident82.8Confident49 Ų4963.8 Ų63.851%0.50532%0.324SS..THydrogen-bonded Turntrans62.5-114.1-168.300000111
463D75.4Confident82.9Confident112 Ų11263 Ų6360%0.59932%0.32SS*.THydrogen-bonded Turntrans-103.95.7178.8-66.6-34.4000113.6V461 R530V461-D463 PolarHBondContact O-N 2.97Å; V461-D463 VanDerWaalsContact O-N 3.14Å; D463-R530 IonicContact OD1-CZ 2.7Å; D463-R530 IonicContact OD1-NE 3.22Å; D463-R530 PolarHBondContact OD1-NE 2.67Å; D463-R530 IonicContact OD1-NH2 3.74Å; D463-R530 PolarHBondContact OD1-NH2 2.73Å
464V82.6Confident82.9Confident29 Ų2963 Ų6318%0.17632%0.317CS..EExtended strand (participates in β ladder)trans-112.5141.2-177-178.70000110.7V461 K491 M493V461-V464 PolarHBondContact N-O 3.12Å; V461-V464 PolarHBondContact O-N 3.13Å; V461-V464 VanDerWaalsContact O-N 3.11Å; V464-K491 HydrophobicContact CG2-CB 4.21Å; V464-M493 HydrophobicContact CG1-CB 4.05Å; V464-M493 HydrophobicContact CG1-CG 3.71Å; V464-M493 HydrophobicContact CG1-SD 3.93Å
465L87.4Confident83.8Confident12 Ų1260.1 Ų60.16%0.06329%0.287CS..EExtended strand (participates in β ladder)trans-86.2104.6167.7-75174.4000109.3F458 E459 Y460 E490 K491 L492 M493F458-L465 HydrophobicContact CB-CB 4.04Å; F458-L465 HydrophobicContact CB-CD2 3.93Å; F458-L465 HydrophobicContact CB-CG 4.45Å; F458-L465 HydrophobicContact CD1-CB 3.95Å; F458-L465 HydrophobicContact CG-CB 4.22Å; E459-L465 CarbonylContact O-C 3.6Å; E459-L465 WeakPolarHBondContact O-CA 3.3Å; Y460-L465 HydrophobicContact CD1-CD2 3.79Å; Y460-L465 HydrophobicContact CD1-CG 4.32Å; Y460-L465 HydrophobicContact CD2-CD2 3.77Å; Y460-L465 HydrophobicContact CE1-CD2 3.62Å; Y460-L465 HydrophobicContact CE1-CG 3.95Å; Y460-L465 HydrophobicContact CE2-CD2 3.61Å; Y460-L465 HydrophobicContact CG-CD2 3.87Å; L465-E490 HydrophobicContact CD1-CB 4.13Å; L465-E490 HydrophobicContact CD1-CG 4.29Å; L465-K491 PolarHBondContact N-O 3.02Å; L465-L492 HydrophobicContact CB-CB 4.41Å; L465-L492 HydrophobicContact CB-CD2 4.32Å; L465-L492 HydrophobicContact CB-CG 4.12Å; L465-L492 HydrophobicContact CD1-CD2 4.17Å; L465-L492 HydrophobicContact CD1-CG 4.31Å; L465-L492 CarbonylContact O-C 3.48Å; L465-L492 VanDerWaalsContact O-CA 3.25Å; L465-L492 WeakPolarHBondContact O-CA 2.99Å; L465-M493 PolarHBondContact O-N 2.91Å
466F90Very high84.4Confident11 Ų1153 Ų535%0.04826%0.256CS..EExtended strand (participates in β ladder)trans-97.6143.9-179.8179.6-107000111.5F458 E459 V461 K468 M493 P519 F521F458-F466 CarbonylContact C-O 3.51Å; F458-F466 VanDerWaalsContact CA-O 3.3Å; F458-F466 WeakPolarHBondContact CA-O 3.41Å; E459-F466 HydrophobicContact CG-CB 4.33Å; E459-F466 HydrophobicContact CG-CD1 4.34Å; E459-F466 WeakPolarHBondContact CG-O 3.26Å; E459-F466 PolarHBondContact N-O 3.22Å; E459-F466 PolarHBondContact O-N 3.19Å; V461-F466 HydrophobicContact CG2-CB 3.85Å; F466-K468 HydrophobicContact CE1-CB 4.36Å; F466-K468 HydrophobicContact CZ-CB 4.48Å; F466-M493 CarbonylContact C-O 3.56Å; F466-M493 WeakPolarHBondContact CA-O 3.39Å; F466-M493 HydrophobicContact CD2-CB 3.8Å; F466-P519 HydrophobicContact CE2-CG 4.35Å; F466-F521 HydrophobicContact CB-CE2 4.08Å; F466-F521 HydrophobicContact CB-CZ 4.11Å; F466-F521 HydrophobicContact CD1-CD2 4.34Å; F466-F521 AromaticContact CD1-CE2 3.6Å; F466-F521 HydrophobicContact CD1-CE2 3.6Å; F466-F521 HydrophobicContact CD1-CZ 4.38Å; F466-F521 AromaticContact CD2-CE2 3.51Å; F466-F521 HydrophobicContact CD2-CE2 3.51Å; F466-F521 AromaticContact CD2-CZ 3.57Å; F466-F521 HydrophobicContact CD2-CZ 3.57Å; F466-F521 AromaticContact CE1-CE2 3.82Å; F466-F521 HydrophobicContact CE1-CE2 3.82Å; F466-F521 AromaticContact CE2-CE2 3.74Å; F466-F521 HydrophobicContact CE2-CE2 3.74Å; F466-F521 HydrophobicContact CE2-CZ 4.05Å; F466-F521 HydrophobicContact CG-CD2 4.48Å; F466-F521 AromaticContact CG-CE2 3.43Å; F466-F521 HydrophobicContact CG-CE2 3.43Å; F466-F521 VanDerWaalsContact CG-CE2 3.43Å; F466-F521 AromaticContact CG-CZ 3.76Å; F466-F521 HydrophobicContact CG-CZ 3.76Å; F466-F521 AromaticContact CZ-CE2 3.89Å; F466-F521 HydrophobicContact CZ-CE2 3.89Å
467S91.7Very high84.5Confident5 Ų553.4 Ų53.44%0.03526%0.259CS..EExtended strand (participates in β ladder)trans-143.4147.8171-165.10000110.9V456 R457 M493 I494 Y495V456-S467 WeakPolarHBondContact CG1-OG 3.24Å; R457-S467 VanDerWaalsContact O-CB 3.25Å; R457-S467 WeakPolarHBondContact O-CB 3.44Å; R457-S467 PolarHBondContact O-OG 3.17Å; S467-M493 PolarHBondContact N-O 2.9Å; S467-I494 CarbonylContact O-C 3.58Å; S467-I494 WeakPolarHBondContact O-CA 3.45Å; S467-Y495 PolarHBondContact O-N 3.42Å
468K89.3Confident84.8Confident93 Ų9345.9 Ų45.940%0.40423%0.231SC..EExtended strand (participates in β ladder)trans-117.2133.2174.1-172.6173-171-166.70109.8F466 Y495 E497F466-K468 HydrophobicContact CE1-CB 4.36Å; F466-K468 HydrophobicContact CZ-CB 4.48Å; K468-Y495 CarbonylContact C-O 3.6Å; K468-Y495 WeakPolarHBondContact CA-O 3.33Å; K468-Y495 HydrophobicContact CD-CD1 4.45Å; K468-Y495 HydrophobicContact CG-CD1 4.14Å; K468-E497 VanDerWaalsContact CE-OE1 3.28Å; K468-E497 WeakPolarHBondContact CE-OE1 3.4Å; K468-E497 WeakPolarHBondContact CE-OE2 3.39Å; K468-E497 IonicContact NZ-OE1 2.93Å; K468-E497 PolarHBondContact NZ-OE1 2.99Å; K468-E497 IonicContact NZ-OE2 3.29Å; K468-E497 PolarHBondContact NZ-OE2 3.34Å
469I87.7Confident85Confident10 Ų1043.3 Ų43.35%0.05122%0.22CC..EExtended strand (participates in β ladder)trans-133.9150.7-178.762.8169.5000111.3L452 V456 P471 V475 M476 L479 I494 Y495 D496 E497L452-I469 HydrophobicContact CD2-CB 4.4Å; L452-I469 HydrophobicContact CD2-CG2 4.16Å; V456-I469 HydrophobicContact CG2-CG2 3.83Å; I469-P471 VanDerWaalsContact C-CD 3.41Å; I469-P471 HydrophobicContact CD1-CG 4.13Å; I469-P471 HydrophobicContact CG1-CG 4.39Å; I469-P471 WeakPolarHBondContact O-CD 3.48Å; I469-V475 HydrophobicContact CD1-CG2 4.45Å; I469-M476 HydrophobicContact CD1-SD 3.88Å; I469-L479 HydrophobicContact CD1-CD2 3.45Å; I469-L479 VanDerWaalsContact CD1-CD2 3.45Å; I469-I494 HydrophobicContact CD1-CG2 3.71Å; I469-I494 HydrophobicContact CG1-CG2 3.94Å; I469-I494 HydrophobicContact CG2-CG2 4.29Å; I469-Y495 WeakPolarHBondContact CG1-O 3.13Å; I469-Y495 PolarHBondContact N-O 3.5Å; I469-D496 HydrophobicContact CD1-CB 4.26Å; I469-D496 HydrophobicContact CG1-CB 3.98Å; I469-D496 WeakPolarHBondContact O-CA 3.27Å; I469-E497 PolarHBondContact O-N 2.53Å
470N85.9Confident85.6Confident100 Ų10038 Ų3854%0.53520%0.195SC..  trans-126.664.2178.6-59.6-6.1000110.2E497 T498N470-E497 PolarHBondContact ND2-OE2 3Å; N470-E497 WeakPolarHBondContact OD1-CB 3.29Å; N470-E497 PolarHBondContact OD1-OE2 3.24Å; N470-T498 WeakPolarHBondContact CA-OG1 3.27Å
471P87.3Confident86.1Confident2 Ų236.5 Ų36.51%0.01320%0.196CC..  trans-73.1149.5-178.633-37.4000112L452 I469 H473 V475 D496 T498 H499L452-P471 HydrophobicContact CD1-CB 3.92Å; I469-P471 VanDerWaalsContact C-CD 3.41Å; I469-P471 HydrophobicContact CD1-CG 4.13Å; I469-P471 HydrophobicContact CG1-CG 4.39Å; I469-P471 WeakPolarHBondContact O-CD 3.48Å; P471-H473 WeakPolarHBondContact CB-O 3.26Å; P471-V475 HydrophobicContact CB-CG1 4.47Å; P471-V475 HydrophobicContact CB-CG2 3.61Å; P471-V475 HydrophobicContact CG-CG2 3.83Å; P471-D496 VanDerWaalsContact CD-CG 3.49Å; P471-D496 VanDerWaalsContact CD-OD1 3.25Å; P471-D496 WeakPolarHBondContact CD-OD1 3.43Å; P471-D496 HydrophobicContact CG-CB 4.39Å; P471-D496 WeakPolarHBondContact CG-OD1 3.43Å; P471-D496 WeakPolarHBondContact CG-OD2 3.45Å; P471-T498 VanDerWaalsContact O-CB 3.28Å; P471-T498 WeakPolarHBondContact O-CB 3.32Å; P471-T498 VanDerWaalsContact O-CG2 3.29Å; P471-T498 WeakPolarHBondContact O-CG2 3.25Å; P471-T498 PolarHBondContact O-OG1 3.34Å; P471-H499 PolarHBondContact O-CE1 3.19Å; P471-H499 VanDerWaalsContact O-CE1 3.27Å
472K83.9Confident86.7Confident141 Ų14137.5 Ų37.561%0.61320%0.199SC*.SBendtrans-80.3-26.5175-63.4-178.4-179.5-173.50113.3T404 E448T404-K472 VanDerWaalsContact CB-O 3.29Å; T404-K472 WeakPolarHBondContact CB-O 3.24Å; T404-K472 PolarHBondContact OG1-O 3.38Å; E448-K472 VanDerWaalsContact CD-N 3.29Å; E448-K472 WeakPolarHBondContact OE1-CB 3.49Å; E448-K472 PolarHBondContact OE1-N 3.46Å; E448-K472 PolarHBondContact OE2-N 3.4Å; E448-K472 VanDerWaalsContact OE2-N 3.12Å
473H87.8Confident87.4Confident14 Ų1435.5 Ų35.57%0.06518%0.176CC..SBendtrans-113.3161.5178.5-48.975.2000109.8T404 M445 E448 P471 V475 H499T404-H473 PolarHBondContact N-CD2 3.43Å; T404-H473 VanDerWaalsContact N-CD2 3.34Å; T404-H473 WeakPolarHBondContact OG1-CA 3.43Å; M445-H473 HydrophobicContact CB-CB 3.76Å; M445-H473 HydrophobicContact CG-CB 3.57Å; E448-H473 IonicContact OE2-CE1 2.83Å; E448-H473 IonicContact OE2-CG 3.94Å; E448-H473 PolarHBondContact OE2-N 3.37Å; E448-H473 IonicContact OE2-ND1 3.81Å; E448-H473 PolarHBondContact OE2-ND1 3.3Å; P471-H473 WeakPolarHBondContact CB-O 3.26Å; H473-V475 VanDerWaalsContact C-N 3.34Å; H473-V475 HydrophobicContact CB-CG1 4.29Å; H473-V475 PolarHBondContact O-N 2.81Å; H473-H499 VanDerWaalsContact C-CE1 3.45Å; H473-H499 PolarHBondContact O-CE1 3.18Å; H473-H499 VanDerWaalsContact O-CE1 3.24Å
474Y87.1Confident87.8Confident24 Ų2430.5 Ų30.59%0.09415%0.15CC..  trans-75.785177.2-169.2-91.4000110.1E330 Y402 P477 H499 L501E330-Y474 HydrophobicContact CB-CE1 4.11Å; E330-Y474 HydrophobicContact CB-CE2 3.98Å; E330-Y474 VanDerWaalsContact CB-CZ 3.44Å; E330-Y474 WeakPolarHBondContact CB-OH 3.25Å; E330-Y474 HydrophobicContact CG-CE2 3.49Å; E330-Y474 VanDerWaalsContact CG-CE2 3.49Å; E330-Y474 VanDerWaalsContact CG-CZ 3.49Å; E330-Y474 VanDerWaalsContact CG-OH 3.28Å; E330-Y474 WeakPolarHBondContact CG-OH 3.37Å; E330-Y474 WeakPolarHBondContact O-CE1 3.36Å; E330-Y474 PolarHBondContact OE2-OH 2.79Å; Y402-Y474 AromaticContact CD1-CD1 3.52Å; Y402-Y474 HydrophobicContact CD1-CD1 3.52Å; Y402-Y474 HydrophobicContact CD1-CE1 4.11Å; Y402-Y474 HydrophobicContact CD1-CG 4.5Å; Y402-Y474 HydrophobicContact CE1-CD1 4.15Å; Y402-Y474 HydrophobicContact CE1-CE1 4.29Å; Y402-Y474 HydrophobicContact CG-CD1 4.24Å; Y402-Y474 VanDerWaalsContact O-CB 3.31Å; Y402-Y474 WeakPolarHBondContact O-CB 3.25Å; Y402-Y474 PolarHBondContact O-N 3.14Å; Y474-P477 VanDerWaalsContact CD1-CD 3.5Å; Y474-P477 HydrophobicContact CD1-CG 3.68Å; Y474-P477 HydrophobicContact CE1-CG 3.24Å; Y474-H499 HydrophobicContact CD2-CB 4.43Å; Y474-L501 HydrophobicContact CD2-CD1 3.77Å; Y474-L501 HydrophobicContact CE2-CD1 3.04Å; Y474-L501 HydrophobicContact CE2-CG 3.98Å
475V90.7Very high87.3Confident0 Ų034.2 Ų34.20%017%0.166CC..  trans-94.9-14.5-171-65.20000114.1M445 E448 N449 L452 I469 P471 H473 P477 Y478 L479M445-V475 HydrophobicContact CG-CG1 4.23Å; E448-V475 HydrophobicContact CG-CG1 4.49Å; N449-V475 HydrophobicContact CB-CB 4.34Å; N449-V475 HydrophobicContact CB-CG1 4.12Å; L452-V475 HydrophobicContact CD1-CG2 3.75Å; I469-V475 HydrophobicContact CD1-CG2 4.45Å; P471-V475 HydrophobicContact CB-CG1 4.47Å; P471-V475 HydrophobicContact CB-CG2 3.61Å; P471-V475 HydrophobicContact CG-CG2 3.83Å; H473-V475 VanDerWaalsContact C-N 3.34Å; H473-V475 HydrophobicContact CB-CG1 4.29Å; H473-V475 PolarHBondContact O-N 2.81Å; V475-P477 VanDerWaalsContact C-N 3.31Å; V475-P477 VanDerWaalsContact O-N 3.16Å; V475-Y478 PolarHBondContact O-N 2.76Å; V475-L479 HydrophobicContact CG2-CD2 4.44Å; V475-L479 WeakPolarHBondContact O-CB 3.06Å; V475-L479 PolarHBondContact O-N 2.59Å
476M89.3Confident86.8Confident0 Ų039.1 Ų39.10%018%0.184CC..Hα-helixtrans-49.9-39.1-175.9-73.6-54.3-59.800114.8I469 Y478 L479 C480 I494 D496 L501 L512I469-M476 HydrophobicContact CD1-SD 3.88Å; M476-Y478 PolarHBondContact O-N 3.37Å; M476-Y478 VanDerWaalsContact O-N 3.17Å; M476-L479 PolarHBondContact O-N 3.25Å; M476-L479 HydrophobicContact SD-CD2 4.32Å; M476-C480 HydrophobicContact CE-CB 4.48Å; M476-C480 WeakPolarHBondContact CE-SG 3.3Å; M476-C480 WeakPolarHBondContact O-CB 3.15Å; M476-C480 PolarHBondContact O-N 2.98Å; M476-I494 HydrophobicContact CE-CB 4.11Å; M476-I494 HydrophobicContact CE-CG2 4.22Å; M476-I494 HydrophobicContact SD-CB 4.47Å; M476-I494 HydrophobicContact SD-CG2 3.91Å; M476-D496 HydrophobicContact CG-CB 4.18Å; M476-D496 HydrophobicContact SD-CB 4.36Å; M476-L501 HydrophobicContact CB-CD1 4.12Å; M476-L501 HydrophobicContact CG-CD1 3.61Å; M476-L512 HydrophobicContact CB-CD2 4.21Å; M476-L512 HydrophobicContact CE-CD2 3.97Å
477P86.4Confident86.3Confident29 Ų2940.5 Ų40.519%0.18819%0.189CC..Hα-helixtrans-63.3-18.5175.3-26.636.8000115.4Y402 Y474 V475 P481Y402-P477 HydrophobicContact CD1-CG 4.15Å; Y402-P477 HydrophobicContact CD2-CG 4.48Å; Y402-P477 HydrophobicContact CE1-CG 3.93Å; Y402-P477 HydrophobicContact CE2-CB 4.02Å; Y402-P477 HydrophobicContact CE2-CG 4.17Å; Y402-P477 HydrophobicContact CG-CG 4.46Å; Y474-P477 VanDerWaalsContact CD1-CD 3.5Å; Y474-P477 HydrophobicContact CD1-CG 3.68Å; Y474-P477 HydrophobicContact CE1-CG 3.24Å; V475-P477 VanDerWaalsContact C-N 3.31Å; V475-P477 VanDerWaalsContact O-N 3.16Å; P477-P481 VanDerWaalsContact O-CD 3.29Å; P477-P481 WeakPolarHBondContact O-CD 3.37Å; P477-P481 WeakPolarHBondContact O-CG 3.34Å
478Y87.5Confident85.4Confident55 Ų5541.6 Ų41.622%0.21620%0.196CC..Hα-helixtrans-104.7-34175.5-62-74000111.8N399 Y402 M445 N449 V475 M476 H482N399-Y478 PolarHBondContact OD1-OH 2.79Å; Y402-Y478 AromaticContact CD2-CE2 3.58Å; Y402-Y478 HydrophobicContact CD2-CE2 3.58Å; Y402-Y478 AromaticContact CD2-CZ 3.93Å; Y402-Y478 WeakPolarHBondContact CD2-OH 3.03Å; Y402-Y478 HydrophobicContact CE2-CE2 4.22Å; Y402-Y478 HydrophobicContact CG-CE2 4.38Å; M445-Y478 HydrophobicContact CE-CD2 4.19Å; M445-Y478 HydrophobicContact CE-CE2 3.62Å; M445-Y478 HydrophobicContact SD-CE2 4.44Å; N449-Y478 WeakPolarHBondContact OD1-CB 3.29Å; V475-Y478 PolarHBondContact O-N 2.76Å; M476-Y478 PolarHBondContact O-N 3.37Å; M476-Y478 VanDerWaalsContact O-N 3.17Å; Y478-H482 PolarHBondContact O-N 2.77Å
479L91.2Very high84.7Confident0 Ų042.1 Ų42.10%020%0.2CC..Hα-helixtrans-73-47.1-176.5-166.666.7000111.9N449 L452 T453 V456 I469 V475 M476 H482 F483 I494N449-L479 PolarHBondContact OD1-N 3.32Å; L452-L479 HydrophobicContact CB-CD1 3.75Å; L452-L479 HydrophobicContact CB-CD2 4.32Å; T453-L479 HydrophobicContact CG2-CD1 3.89Å; V456-L479 HydrophobicContact CG2-CD1 4.47Å; V456-L479 HydrophobicContact CG2-CD2 4.27Å; I469-L479 HydrophobicContact CD1-CD2 3.45Å; I469-L479 VanDerWaalsContact CD1-CD2 3.45Å; V475-L479 HydrophobicContact CG2-CD2 4.44Å; V475-L479 WeakPolarHBondContact O-CB 3.06Å; V475-L479 PolarHBondContact O-N 2.59Å; M476-L479 PolarHBondContact O-N 3.25Å; M476-L479 HydrophobicContact SD-CD2 4.32Å; L479-H482 WeakPolarHBondContact O-CB 3.23Å; L479-H482 PolarHBondContact O-N 2.87Å; L479-F483 HydrophobicContact CD1-CD2 4.22Å; L479-F483 HydrophobicContact CD1-CE2 3.56Å; L479-F483 HydrophobicContact CD1-CZ 4.49Å; L479-F483 HydrophobicContact CD2-CE2 4.48Å; L479-F483 HydrophobicContact CG-CD2 4.03Å; L479-F483 HydrophobicContact CG-CE2 3.76Å; L479-F483 VanDerWaalsContact O-CD2 3.24Å; L479-F483 WeakPolarHBondContact O-CD2 3.37Å; L479-F483 PolarHBondContact O-N 2.82Å; L479-I494 HydrophobicContact CD2-CD1 4.48Å; L479-I494 HydrophobicContact CD2-CG2 4.2Å; L479-I494 HydrophobicContact CG-CD1 4.48Å
480C90.9Very high84.3Confident1 Ų143.5 Ų43.51%0.00721%0.206CC..Hα-helixtrans-61.5-47.2178.8-90.40000112.6M476 H482 F483 A484 I505 I510M476-C480 HydrophobicContact CE-CB 4.48Å; M476-C480 WeakPolarHBondContact CE-SG 3.3Å; M476-C480 WeakPolarHBondContact O-CB 3.15Å; M476-C480 PolarHBondContact O-N 2.98Å; C480-H482 VanDerWaalsContact C-N 3.27Å; C480-H482 PolarHBondContact O-N 3.13Å; C480-F483 PolarHBondContact O-N 3.47Å; C480-F483 VanDerWaalsContact O-N 3.12Å; C480-A484 VanDerWaalsContact O-CB 3.3Å; C480-A484 WeakPolarHBondContact O-CB 3.48Å; C480-A484 PolarHBondContact O-N 2.86Å; C480-I505 HydrophobicContact CB-CD1 4.24Å; C480-I505 HydrophobicContact CB-CG1 4.4Å; C480-I505 WeakPolarHBondContact O-CD1 3.47Å; C480-I510 HydrophobicContact CB-CD1 4.24Å; C480-I510 HydrophobicContact CB-CG1 4.41Å; C480-I510 HydrophobicContact CB-CG2 3.58Å
481P87.5Confident84.3Confident54 Ų5443 Ų4335%0.35120%0.199SC..Hα-helixtrans-57-38.8175.3-29.737.9000113.7P477 F483 A484 E485 I510P477-P481 VanDerWaalsContact O-CD 3.29Å; P477-P481 WeakPolarHBondContact O-CD 3.37Å; P477-P481 WeakPolarHBondContact O-CG 3.34Å; P481-F483 VanDerWaalsContact C-N 3.35Å; P481-F483 PolarHBondContact O-N 3.43Å; P481-A484 PolarHBondContact O-N 2.94Å; P481-E485 WeakPolarHBondContact O-CB 3.44Å; P481-E485 PolarHBondContact O-N 3.39Å; P481-I510 HydrophobicContact CB-CD1 4.07Å; P481-I510 HydrophobicContact CG-CD1 3.69Å
482H87.9Confident84.4Confident47 Ų4742.9 Ų42.922%0.21820%0.199CC..Hα-helixtrans-57.8-47.3175.2-177.778000111.9T453 Y478 L479 C480 R486T453-H482 HydrophobicContact CG2-CB 4.07Å; Y478-H482 PolarHBondContact O-N 2.77Å; L479-H482 WeakPolarHBondContact O-CB 3.23Å; L479-H482 PolarHBondContact O-N 2.87Å; C480-H482 VanDerWaalsContact C-N 3.27Å; C480-H482 PolarHBondContact O-N 3.13Å; H482-R486 PolarHBondContact CE1-NH1 2.94Å; H482-R486 PolarHBondContact NE2-NH1 3.19Å; H482-R486 VanDerWaalsContact O-CB 3.24Å; H482-R486 WeakPolarHBondContact O-CB 3.28Å; H482-R486 PolarHBondContact O-N 3.37Å; H482-R486 VanDerWaalsContact O-N 3.08Å
483F88.9Confident84.8Confident6 Ų638.1 Ų38.13%0.02618%0.179CC..Hα-helixtrans-75.5-35.7-179.7-72.1-65.1000113.3V456 F458 L479 C480 P481 E485 R486 Y487 L492 I494 I505V456-F483 HydrophobicContact CB-CE2 4.08Å; V456-F483 HydrophobicContact CB-CZ 3.74Å; V456-F483 HydrophobicContact CG1-CE2 4.04Å; V456-F483 HydrophobicContact CG1-CZ 3.9Å; V456-F483 HydrophobicContact CG2-CE2 4.2Å; V456-F483 HydrophobicContact CG2-CZ 4.28Å; F458-F483 AromaticContact CE2-CD1 3.76Å; F458-F483 HydrophobicContact CE2-CD1 3.76Å; F458-F483 AromaticContact CE2-CE1 3.52Å; F458-F483 HydrophobicContact CE2-CE1 3.52Å; F458-F483 HydrophobicContact CE2-CG 4.42Å; F458-F483 AromaticContact CE2-CZ 3.97Å; F458-F483 HydrophobicContact CE2-CZ 3.97Å; F458-F483 AromaticContact CZ-CD1 3.73Å; F458-F483 HydrophobicContact CZ-CD1 3.73Å; F458-F483 HydrophobicContact CZ-CD2 4.15Å; F458-F483 AromaticContact CZ-CE1 3.83Å; F458-F483 HydrophobicContact CZ-CE1 3.83Å; F458-F483 HydrophobicContact CZ-CE2 4.19Å; F458-F483 AromaticContact CZ-CG 3.94Å; F458-F483 HydrophobicContact CZ-CG 3.94Å; F458-F483 HydrophobicContact CZ-CZ 4.07Å; L479-F483 HydrophobicContact CD1-CD2 4.22Å; L479-F483 HydrophobicContact CD1-CE2 3.56Å; L479-F483 HydrophobicContact CD1-CZ 4.49Å; L479-F483 HydrophobicContact CD2-CE2 4.48Å; L479-F483 HydrophobicContact CG-CD2 4.03Å; L479-F483 HydrophobicContact CG-CE2 3.76Å; L479-F483 VanDerWaalsContact O-CD2 3.24Å; L479-F483 WeakPolarHBondContact O-CD2 3.37Å; L479-F483 PolarHBondContact O-N 2.82Å; C480-F483 PolarHBondContact O-N 3.47Å; C480-F483 VanDerWaalsContact O-N 3.12Å; P481-F483 VanDerWaalsContact C-N 3.35Å; P481-F483 PolarHBondContact O-N 3.43Å; F483-E485 VanDerWaalsContact C-N 3.31Å; F483-E485 PolarHBondContact O-N 3.04Å; F483-R486 PolarHBondContact O-N 2.76Å; F483-Y487 HydrophobicContact CB-CD2 4.46Å; F483-Y487 AromaticContact CD1-CD2 3.81Å; F483-Y487 HydrophobicContact CD1-CD2 3.81Å; F483-Y487 AromaticContact CD1-CE2 3.64Å; F483-Y487 HydrophobicContact CD1-CE2 3.64Å; F483-Y487 HydrophobicContact CE1-CE2 4.1Å; F483-Y487 WeakPolarHBondContact O-CA 3.39Å; F483-Y487 WeakPolarHBondContact O-CB 3.49Å; F483-Y487 PolarHBondContact O-N 3.35Å; F483-L492 HydrophobicContact CB-CD2 4.47Å; F483-I494 HydrophobicContact CB-CD1 4.47Å; F483-I494 HydrophobicContact CD2-CD1 3.42Å; F483-I494 VanDerWaalsContact CD2-CD1 3.42Å; F483-I494 HydrophobicContact CE2-CD1 3.97Å; F483-I494 HydrophobicContact CG-CD1 4.16Å; F483-I505 HydrophobicContact CB-CD1 3.6Å
484A83.3Confident85Confident7 Ų737.5 Ų37.56%0.05818%0.176CC..Hα-helixtrans-64.2-37.9174.800000111.8C480 P481 P488 I505 I510C480-A484 VanDerWaalsContact O-CB 3.3Å; C480-A484 WeakPolarHBondContact O-CB 3.48Å; C480-A484 PolarHBondContact O-N 2.86Å; P481-A484 PolarHBondContact O-N 2.94Å; A484-P488 WeakPolarHBondContact O-CA 3.25Å; A484-I505 HydrophobicContact CB-CD1 4.34Å; A484-I505 HydrophobicContact CB-CG1 4.43Å; A484-I505 HydrophobicContact CB-CG2 3.62Å; A484-I510 HydrophobicContact CB-CD1 3.72Å; A484-I510 HydrophobicContact CB-CG1 3.63Å
485E72.5Confident85.2Confident108 Ų10836.8 Ų36.851%0.50517%0.173SC..Hα-helixtrans-68.5-41.8174.1-178176.3-168.500111.9P481 F483 R817P481-E485 WeakPolarHBondContact O-CB 3.44Å; P481-E485 PolarHBondContact O-N 3.39Å; F483-E485 VanDerWaalsContact C-N 3.31Å; F483-E485 PolarHBondContact O-N 3.04Å; E485-R817 WeakPolarHBondContact OE1-CD 3.21Å; E485-R817 IonicContact OE1-CZ 2.66Å; E485-R817 IonicContact OE1-NE 3.42Å; E485-R817 IonicContact OE1-NH1 3.13Å; E485-R817 PolarHBondContact OE1-NH1 3.04Å
486R75.8Confident85.2Confident115 Ų11536.8 Ų36.843%0.43417%0.173SC..Hα-helixtrans-84.9-25.8-172.9-152.7168.9-168.3169.81.4113.7Y8 H482 F483 P488Y8-R486 WeakPolarHBondContact CE1-O 3.41Å; H482-R486 PolarHBondContact CE1-NH1 2.94Å; H482-R486 PolarHBondContact NE2-NH1 3.19Å; H482-R486 VanDerWaalsContact O-CB 3.24Å; H482-R486 WeakPolarHBondContact O-CB 3.28Å; H482-R486 PolarHBondContact O-N 3.37Å; H482-R486 VanDerWaalsContact O-N 3.08Å; F483-R486 PolarHBondContact O-N 2.76Å; R486-P488 VanDerWaalsContact C-CD 3.42Å
487Y79.6Confident85Confident39 Ų3940.8 Ų40.815%0.15319%0.192CC..  trans-12956.4-179.7-55.8-79.7000112.1F3 Y8 F483 Q489 E490 L492F3-Y487 HydrophobicContact CD1-CE1 4.04Å; F3-Y487 AromaticContact CE1-CD1 4Å; F3-Y487 HydrophobicContact CE1-CD1 4Å; F3-Y487 AromaticContact CE1-CE1 3.7Å; F3-Y487 HydrophobicContact CE1-CE1 3.7Å; Y8-Y487 HydrophobicContact CD2-CD1 4.37Å; Y8-Y487 HydrophobicContact CD2-CE1 4.36Å; Y8-Y487 HydrophobicContact CE2-CD1 4.43Å; F483-Y487 HydrophobicContact CB-CD2 4.46Å; F483-Y487 AromaticContact CD1-CD2 3.81Å; F483-Y487 HydrophobicContact CD1-CD2 3.81Å; F483-Y487 AromaticContact CD1-CE2 3.64Å; F483-Y487 HydrophobicContact CD1-CE2 3.64Å; F483-Y487 HydrophobicContact CE1-CE2 4.1Å; F483-Y487 WeakPolarHBondContact O-CA 3.39Å; F483-Y487 WeakPolarHBondContact O-CB 3.49Å; F483-Y487 PolarHBondContact O-N 3.35Å; Y487-Q489 PolarHBondContact O-N 3.34Å; Y487-E490 PolarHBondContact O-N 3.15Å; Y487-E490 VanDerWaalsContact O-N 3.14Å; Y487-L492 HydrophobicContact CD2-CD2 4.22Å; Y487-L492 HydrophobicContact CG-CD2 4.38Å
488P72.9Confident84.7Confident28 Ų2842.4 Ų42.418%0.18220%0.201CC..THydrogen-bonded Turntrans-70.1-1.3-169.630.7-38.5000114.9A484 R486 R507A484-P488 WeakPolarHBondContact O-CA 3.25Å; R486-P488 VanDerWaalsContact C-CD 3.42Å; P488-R507 CarbonylContact O-C 3.57Å; P488-R507 WeakPolarHBondContact O-CA 3.28Å
489Q74.6Confident84.4Confident104 Ų10441.2 Ų41.249%0.48620%0.198SC..THydrogen-bonded Turntrans-116.4-8.3179.6-63.1-60.6-42.200112.6Y487Y487-Q489 PolarHBondContact O-N 3.34Å
490E79.1Confident84Confident39 Ų3946.2 Ų46.218%0.18222%0.221CC..SBendtrans-93.1153.7-179.3-55.3-57.6149.800109.6R6 L465 Y487 L492R6-E490 IonicContact NH1-OE1 2.62Å; R6-E490 PolarHBondContact NH1-OE1 2.87Å; L465-E490 HydrophobicContact CD1-CB 4.13Å; L465-E490 HydrophobicContact CD1-CG 4.29Å; Y487-E490 PolarHBondContact O-N 3.15Å; Y487-E490 VanDerWaalsContact O-N 3.14Å; E490-L492 HydrophobicContact CB-CD1 3.91Å; E490-L492 HydrophobicContact CB-CG 4.29Å
491K85.9Confident83.7Confident89 Ų8946.1 Ų46.139%0.38722%0.221SC..EExtended strand (participates in β ladder)trans-93.3113.6166.7-66.4-169.5-179.5-137.50107.7V464 L465 I505 D506V464-K491 HydrophobicContact CG2-CB 4.21Å; L465-K491 PolarHBondContact N-O 3.02Å; K491-I505 CarbonylContact C-O 3.53Å; K491-I505 WeakPolarHBondContact CA-O 3.22Å; K491-D506 VanDerWaalsContact CE-OD1 3.23Å; K491-D506 WeakPolarHBondContact CE-OD1 3.39Å; K491-D506 VanDerWaalsContact CE-OD2 3.32Å; K491-D506 WeakPolarHBondContact CE-OD2 3.3Å; K491-D506 WeakPolarHBondContact CG-OD1 3.33Å; K491-D506 IonicContact NZ-OD1 3.97Å; K491-D506 IonicContact NZ-OD2 2.77Å; K491-D506 PolarHBondContact NZ-OD2 3.35Å
492L90.2Very high83.8Confident1 Ų144 Ų441%0.00521%0.206CC..EExtended strand (participates in β ladder)trans-116.3146178-4793.4000110.7F458 L465 F483 Y487 E490 I505F458-L492 HydrophobicContact CD1-CD2 4.07Å; F458-L492 HydrophobicContact CE1-CB 4.16Å; F458-L492 HydrophobicContact CE1-CD2 3.6Å; F458-L492 HydrophobicContact CE1-CG 4.47Å; F458-L492 HydrophobicContact CE2-CD2 4.18Å; F458-L492 HydrophobicContact CZ-CD2 3.66Å; L465-L492 HydrophobicContact CB-CB 4.41Å; L465-L492 HydrophobicContact CB-CD2 4.32Å; L465-L492 HydrophobicContact CB-CG 4.12Å; L465-L492 HydrophobicContact CD1-CD2 4.17Å; L465-L492 HydrophobicContact CD1-CG 4.31Å; L465-L492 CarbonylContact O-C 3.48Å; L465-L492 VanDerWaalsContact O-CA 3.25Å; L465-L492 WeakPolarHBondContact O-CA 2.99Å; F483-L492 HydrophobicContact CB-CD2 4.47Å; Y487-L492 HydrophobicContact CD2-CD2 4.22Å; Y487-L492 HydrophobicContact CG-CD2 4.38Å; E490-L492 HydrophobicContact CB-CD1 3.91Å; E490-L492 HydrophobicContact CB-CG 4.29Å; L492-I505 HydrophobicContact CB-CB 4.15Å; L492-I505 HydrophobicContact CB-CD1 4.31Å; L492-I505 HydrophobicContact CD1-CB 3.97Å; L492-I505 HydrophobicContact CD1-CD1 4.43Å; L492-I505 HydrophobicContact CD1-CG2 3.8Å; L492-I505 PolarHBondContact N-O 2.96Å; L492-I505 PolarHBondContact O-N 3.18Å
493M91Very high83.9Confident41 Ų4141.8 Ų41.820%0.20220%0.196CC..EExtended strand (participates in β ladder)trans-127.3127.2170.2-76.7-179.3176.500108.2V464 L465 F466 S467 L502 G503 I504V464-M493 HydrophobicContact CG1-CB 4.05Å; V464-M493 HydrophobicContact CG1-CG 3.71Å; V464-M493 HydrophobicContact CG1-SD 3.93Å; L465-M493 PolarHBondContact O-N 2.91Å; F466-M493 CarbonylContact C-O 3.56Å; F466-M493 WeakPolarHBondContact CA-O 3.39Å; F466-M493 HydrophobicContact CD2-CB 3.8Å; S467-M493 PolarHBondContact N-O 2.9Å; M493-L502 HydrophobicContact CB-CD1 4.24Å; M493-G503 CarbonylContact C-O 3.57Å; M493-G503 VanDerWaalsContact CA-O 3.32Å; M493-G503 WeakPolarHBondContact CA-O 3.15Å; M493-I504 HydrophobicContact CE-CD1 4.3Å; M493-I504 HydrophobicContact CE-CG1 4.33Å; M493-I504 HydrophobicContact CE-CG2 4.45Å; M493-I504 HydrophobicContact CG-CG1 4.34Å
494I92.8Very high83.9Confident0 Ų043.4 Ų43.40%020%0.204CC..EExtended strand (participates in β ladder)trans-121.6112.7175.3-57.4173.4000106.9F458 S467 I469 M476 L479 F483 G503 I505F458-I494 HydrophobicContact CE1-CD1 4.21Å; F458-I494 HydrophobicContact CE1-CG1 3.82Å; F458-I494 HydrophobicContact CZ-CD1 4.09Å; F458-I494 HydrophobicContact CZ-CG1 4.2Å; S467-I494 CarbonylContact O-C 3.58Å; S467-I494 WeakPolarHBondContact O-CA 3.45Å; I469-I494 HydrophobicContact CD1-CG2 3.71Å; I469-I494 HydrophobicContact CG1-CG2 3.94Å; I469-I494 HydrophobicContact CG2-CG2 4.29Å; M476-I494 HydrophobicContact CE-CB 4.11Å; M476-I494 HydrophobicContact CE-CG2 4.22Å; M476-I494 HydrophobicContact SD-CB 4.47Å; M476-I494 HydrophobicContact SD-CG2 3.91Å; L479-I494 HydrophobicContact CD2-CD1 4.48Å; L479-I494 HydrophobicContact CD2-CG2 4.2Å; L479-I494 HydrophobicContact CG-CD1 4.48Å; F483-I494 HydrophobicContact CB-CD1 4.47Å; F483-I494 HydrophobicContact CD2-CD1 3.42Å; F483-I494 VanDerWaalsContact CD2-CD1 3.42Å; F483-I494 HydrophobicContact CE2-CD1 3.97Å; F483-I494 HydrophobicContact CG-CD1 4.16Å; I494-G503 PolarHBondContact N-O 2.89Å; I494-G503 PolarHBondContact O-N 2.8Å; I494-I505 HydrophobicContact CD1-CD1 4.45Å
495Y91.7Very high84.2Confident10 Ų1043.1 Ų43.14%0.03920%0.202CC..EExtended strand (participates in β ladder)trans-97.4120.4176.8-176.9-109.5000110.3S467 K468 I469 E497 L501 L502 T516 C518S467-Y495 PolarHBondContact O-N 3.42Å; K468-Y495 CarbonylContact C-O 3.6Å; K468-Y495 WeakPolarHBondContact CA-O 3.33Å; K468-Y495 HydrophobicContact CD-CD1 4.45Å; K468-Y495 HydrophobicContact CG-CD1 4.14Å; I469-Y495 WeakPolarHBondContact CG1-O 3.13Å; I469-Y495 PolarHBondContact N-O 3.5Å; Y495-E497 HydrophobicContact CD1-CB 4.35Å; Y495-E497 HydrophobicContact CE1-CB 3.88Å; Y495-E497 HydrophobicContact CE1-CG 4.3Å; Y495-L501 CarbonylContact C-O 3.57Å; Y495-L501 VanDerWaalsContact CA-O 3.3Å; Y495-L501 WeakPolarHBondContact CA-O 3.42Å; Y495-L501 WeakPolarHBondContact CD2-O 3.24Å; Y495-L502 HydrophobicContact CD2-CB 4.3Å; Y495-L502 HydrophobicContact CD2-CD1 4.26Å; Y495-T516 WeakPolarHBondContact CE2-O 3.41Å; Y495-T516 PolarHBondContact OH-O 3.09Å; Y495-T516 VanDerWaalsContact OH-O 3.13Å; Y495-C518 HydrophobicContact CD1-CB 3.76Å; Y495-C518 HydrophobicContact CE1-CB 3.44Å; Y495-C518 VanDerWaalsContact CE1-CB 3.44Å; Y495-C518 HydrophobicContact CG-CB 4.44Å; Y495-C518 PolarHBondContact OH-N 3.26Å
496D90.4Very high84.7Confident0 Ų040.2 Ų40.20%019%0.19CC..EExtended strand (participates in β ladder)trans-94.4106.7171.3175.7-13000108.9I469 P471 M476 T498 H499 E500 L501I469-D496 HydrophobicContact CD1-CB 4.26Å; I469-D496 HydrophobicContact CG1-CB 3.98Å; I469-D496 WeakPolarHBondContact O-CA 3.27Å; P471-D496 VanDerWaalsContact CD-CG 3.49Å; P471-D496 VanDerWaalsContact CD-OD1 3.25Å; P471-D496 WeakPolarHBondContact CD-OD1 3.43Å; P471-D496 HydrophobicContact CG-CB 4.39Å; P471-D496 WeakPolarHBondContact CG-OD1 3.43Å; P471-D496 WeakPolarHBondContact CG-OD2 3.45Å; M476-D496 HydrophobicContact CG-CB 4.18Å; M476-D496 HydrophobicContact SD-CB 4.36Å; D496-T498 VanDerWaalsContact C-N 3.34Å; D496-T498 PolarHBondContact OD1-N 3.47Å; D496-H499 VanDerWaalsContact CG-ND1 3.28Å; D496-H499 IonicContact OD1-CG 3.32Å; D496-H499 PolarHBondContact OD1-N 2.9Å; D496-H499 IonicContact OD1-ND1 2.82Å; D496-H499 PolarHBondContact OD1-ND1 2.88Å; D496-H499 VanDerWaalsContact OD1-ND1 3.14Å; D496-H499 IonicContact OD2-CE1 2.66Å; D496-H499 IonicContact OD2-CG 3.89Å; D496-H499 IonicContact OD2-ND1 2.64Å; D496-H499 PolarHBondContact OD2-ND1 3.21Å; D496-E500 WeakPolarHBondContact O-CA 3.33Å; D496-E500 PolarHBondContact O-N 2.64Å; D496-L501 HydrophobicContact CB-CB 3.66Å; D496-L501 HydrophobicContact CB-CD1 4.22Å; D496-L501 PolarHBondContact N-O 2.86Å; D496-L501 PolarHBondContact O-N 2.82Å
497E84.2Confident84.8Confident83 Ų8343 Ų4339%0.38820%0.2SC..THydrogen-bonded Turntrans-75-25.5-178.2-174.3172-138.200112.4K468 I469 N470 Y495 H499K468-E497 VanDerWaalsContact CE-OE1 3.28Å; K468-E497 WeakPolarHBondContact CE-OE1 3.4Å; K468-E497 WeakPolarHBondContact CE-OE2 3.39Å; K468-E497 IonicContact NZ-OE1 2.93Å; K468-E497 PolarHBondContact NZ-OE1 2.99Å; K468-E497 IonicContact NZ-OE2 3.29Å; K468-E497 PolarHBondContact NZ-OE2 3.34Å; I469-E497 PolarHBondContact O-N 2.53Å; N470-E497 PolarHBondContact ND2-OE2 3Å; N470-E497 WeakPolarHBondContact OD1-CB 3.29Å; N470-E497 PolarHBondContact OD1-OE2 3.24Å; Y495-E497 HydrophobicContact CD1-CB 4.35Å; Y495-E497 HydrophobicContact CE1-CB 3.88Å; Y495-E497 HydrophobicContact CE1-CG 4.3Å; E497-H499 VanDerWaalsContact C-N 3.32Å
498T81.2Confident84.5Confident64 Ų6442.1 Ų42.139%0.39320%0.204SC..THydrogen-bonded Turntrans-73-31.2-178.7-55.80000111.3N470 P471 D496N470-T498 WeakPolarHBondContact CA-OG1 3.27Å; P471-T498 VanDerWaalsContact O-CB 3.28Å; P471-T498 WeakPolarHBondContact O-CB 3.32Å; P471-T498 VanDerWaalsContact O-CG2 3.29Å; P471-T498 WeakPolarHBondContact O-CG2 3.25Å; P471-T498 PolarHBondContact O-OG1 3.34Å; D496-T498 VanDerWaalsContact C-N 3.34Å; D496-T498 PolarHBondContact OD1-N 3.47Å
499H80.9Confident84.8Confident29 Ų2946 Ų4613%0.13422%0.223CC..THydrogen-bonded Turntrans-115.59.9-178.1-52.1101.7000113.5Q323 P471 H473 Y474 D496 E497 L501Q323-H499 PolarHBondContact NE2-CD2 3.17Å; Q323-H499 PolarHBondContact NE2-NE2 3.26Å; Q323-H499 PolarHBondContact OE1-NE2 3.49Å; P471-H499 PolarHBondContact O-CE1 3.19Å; P471-H499 VanDerWaalsContact O-CE1 3.27Å; H473-H499 VanDerWaalsContact C-CE1 3.45Å; H473-H499 PolarHBondContact O-CE1 3.18Å; H473-H499 VanDerWaalsContact O-CE1 3.24Å; Y474-H499 HydrophobicContact CD2-CB 4.43Å; D496-H499 VanDerWaalsContact CG-ND1 3.28Å; D496-H499 IonicContact OD1-CG 3.32Å; D496-H499 PolarHBondContact OD1-N 2.9Å; D496-H499 IonicContact OD1-ND1 2.82Å; D496-H499 PolarHBondContact OD1-ND1 2.88Å; D496-H499 VanDerWaalsContact OD1-ND1 3.14Å; D496-H499 IonicContact OD2-CE1 2.66Å; D496-H499 IonicContact OD2-CG 3.89Å; D496-H499 IonicContact OD2-ND1 2.64Å; D496-H499 PolarHBondContact OD2-ND1 3.21Å; E497-H499 VanDerWaalsContact C-N 3.32Å; H499-L501 HydrophobicContact CB-CB 4.33Å; H499-L501 HydrophobicContact CB-CD1 3.77Å; H499-L501 HydrophobicContact CB-CG 4.29Å; H499-L501 PolarHBondContact O-N 2.91Å
500E82.8Confident85.2Confident105 Ų10543.3 Ų43.349%0.49121%0.211SC..THydrogen-bonded Turntrans5254.1178.6-60.7-171.7156.500114.8D496 H515 T516D496-E500 WeakPolarHBondContact O-CA 3.33Å; D496-E500 PolarHBondContact O-N 2.64Å; E500-H515 PolarHBondContact O-N 2.74Å; E500-H515 VanDerWaalsContact O-N 3.09Å; E500-T516 PolarHBondContact O-N 2.88Å; E500-T516 VanDerWaalsContact O-N 3.12Å
501L84.1Confident85.5Confident0 Ų046.6 Ų46.60%023%0.227CC..EExtended strand (participates in β ladder)trans-129.9130.9-156.5-124.4-177.6000111.1E330 Y474 M476 Y495 D496 H499E330-L501 WeakPolarHBondContact OE1-CD2 3.31Å; E330-L501 WeakPolarHBondContact OE1-CG 3.27Å; E330-L501 WeakPolarHBondContact OE2-CD2 3.32Å; Y474-L501 HydrophobicContact CD2-CD1 3.77Å; Y474-L501 HydrophobicContact CE2-CD1 3.04Å; Y474-L501 HydrophobicContact CE2-CG 3.98Å; M476-L501 HydrophobicContact CB-CD1 4.12Å; M476-L501 HydrophobicContact CG-CD1 3.61Å; Y495-L501 CarbonylContact C-O 3.57Å; Y495-L501 VanDerWaalsContact CA-O 3.3Å; Y495-L501 WeakPolarHBondContact CA-O 3.42Å; Y495-L501 WeakPolarHBondContact CD2-O 3.24Å; D496-L501 HydrophobicContact CB-CB 3.66Å; D496-L501 HydrophobicContact CB-CD1 4.22Å; D496-L501 PolarHBondContact N-O 2.86Å; D496-L501 PolarHBondContact O-N 2.82Å; H499-L501 HydrophobicContact CB-CB 4.33Å; H499-L501 HydrophobicContact CB-CD1 3.77Å; H499-L501 HydrophobicContact CB-CG 4.29Å; H499-L501 PolarHBondContact O-N 2.91Å
502L89.6Confident85.4Confident10 Ų1044 Ų445%0.05222%0.217CC..EExtended strand (participates in β ladder)trans-118.5111.7175.5-175.167000111.8M493 Y495 I504 L512 M513 T516 P519M493-L502 HydrophobicContact CB-CD1 4.24Å; Y495-L502 HydrophobicContact CD2-CB 4.3Å; Y495-L502 HydrophobicContact CD2-CD1 4.26Å; L502-I504 HydrophobicContact CD2-CD1 4.17Å; L502-I504 HydrophobicContact CD2-CG1 4.11Å; L502-I504 HydrophobicContact CG-CG1 4.05Å; L502-L512 WeakPolarHBondContact O-CA 3.38Å; L502-M513 HydrophobicContact CB-CB 4.34Å; L502-M513 PolarHBondContact N-O 2.78Å; L502-M513 PolarHBondContact O-N 3.43Å; L502-T516 HydrophobicContact CB-CG2 4.32Å; L502-T516 HydrophobicContact CD2-CG2 4.31Å; L502-P519 HydrophobicContact CD1-CG 4.12Å; L502-P519 HydrophobicContact CD2-CG 4.04Å
503G90.4Very high84.8Confident0 Ų048.5 Ų48.50%024%0.239CC..EExtended strand (participates in β ladder)trans-90.2113.4168.800000111.9M493 I494 H511M493-G503 CarbonylContact C-O 3.57Å; M493-G503 VanDerWaalsContact CA-O 3.32Å; M493-G503 WeakPolarHBondContact CA-O 3.15Å; I494-G503 PolarHBondContact N-O 2.89Å; I494-G503 PolarHBondContact O-N 2.8Å; G503-H511 CarbonylContact C-O 3.54Å; G503-H511 WeakPolarHBondContact CA-O 3.34Å
504I89.4Confident84Confident39 Ų3950.2 Ų50.220%0.225%0.246CC..EExtended strand (participates in β ladder)trans-100.9124.8174.6-53.1176.2000108.5M493 L502 I510 H511 M513M493-I504 HydrophobicContact CE-CD1 4.3Å; M493-I504 HydrophobicContact CE-CG1 4.33Å; M493-I504 HydrophobicContact CE-CG2 4.45Å; M493-I504 HydrophobicContact CG-CG1 4.34Å; L502-I504 HydrophobicContact CD2-CD1 4.17Å; L502-I504 HydrophobicContact CD2-CG1 4.11Å; L502-I504 HydrophobicContact CG-CG1 4.05Å; I504-I510 WeakPolarHBondContact O-CA 3.06Å; I504-H511 HydrophobicContact CB-CB 4.33Å; I504-H511 PolarHBondContact N-O 3.29Å; I504-H511 PolarHBondContact O-N 2.92Å; I504-M513 HydrophobicContact CD1-CG 4.49Å; I504-M513 HydrophobicContact CD1-SD 3.76Å
505I88.5Confident83Confident1 Ų156.5 Ų56.51%0.00528%0.275CS..EExtended strand (participates in β ladder)trans-114.5110.1174.2-57.1170.4000106.9C480 F483 A484 K491 L492 I494 D509 I510C480-I505 HydrophobicContact CB-CD1 4.24Å; C480-I505 HydrophobicContact CB-CG1 4.4Å; C480-I505 WeakPolarHBondContact O-CD1 3.47Å; F483-I505 HydrophobicContact CB-CD1 3.6Å; A484-I505 HydrophobicContact CB-CD1 4.34Å; A484-I505 HydrophobicContact CB-CG1 4.43Å; A484-I505 HydrophobicContact CB-CG2 3.62Å; K491-I505 CarbonylContact C-O 3.53Å; K491-I505 WeakPolarHBondContact CA-O 3.22Å; L492-I505 HydrophobicContact CB-CB 4.15Å; L492-I505 HydrophobicContact CB-CD1 4.31Å; L492-I505 HydrophobicContact CD1-CB 3.97Å; L492-I505 HydrophobicContact CD1-CD1 4.43Å; L492-I505 HydrophobicContact CD1-CG2 3.8Å; L492-I505 PolarHBondContact N-O 2.96Å; L492-I505 PolarHBondContact O-N 3.18Å; I494-I505 HydrophobicContact CD1-CD1 4.45Å; I505-D509 CarbonylContact C-O 3.57Å; I505-D509 VanDerWaalsContact CA-O 3.31Å; I505-D509 WeakPolarHBondContact CA-O 3.49Å; I505-I510 HydrophobicContact CG1-CG1 4.5Å
506D84.2Confident81.9Confident48 Ų4857.6 Ų57.626%0.25728%0.283SS..EExtended strand (participates in β ladder)trans-119.3114.9173.6-165.3-8.7000108.8K491 G508 D509K491-D506 VanDerWaalsContact CE-OD1 3.23Å; K491-D506 WeakPolarHBondContact CE-OD1 3.39Å; K491-D506 VanDerWaalsContact CE-OD2 3.32Å; K491-D506 WeakPolarHBondContact CE-OD2 3.3Å; K491-D506 WeakPolarHBondContact CG-OD1 3.33Å; K491-D506 IonicContact NZ-OD1 3.97Å; K491-D506 IonicContact NZ-OD2 2.77Å; K491-D506 PolarHBondContact NZ-OD2 3.35Å; D506-G508 PolarHBondContact O-N 3.5Å; D506-D509 PolarHBondContact N-O 3.26Å; D506-D509 WeakPolarHBondContact O-CB 3.37Å; D506-D509 PolarHBondContact O-N 3.11Å
507R76.9Confident81.3Confident172 Ų17262.3 Ų62.365%0.64932%0.316SS*.THydrogen-bonded Turntrans53.431.7177.5-65.1170.8-174.4-1590.7114.7P488P488-R507 CarbonylContact O-C 3.57Å; P488-R507 WeakPolarHBondContact O-CA 3.28Å
508G72.9Confident81.1Confident22 Ų2260.4 Ų60.423%0.22731%0.311CS..THydrogen-bonded Turntrans90.5-9.2-178.900000114.9D506D506-G508 PolarHBondContact O-N 3.5Å
509D79.4Confident80.9Confident109 Ų10958.9 Ų58.958%0.58330%0.303SS*.EExtended strand (participates in β ladder)trans-81.3134171.9-66.6-39.7000110I505 D506I505-D509 CarbonylContact C-O 3.57Å; I505-D509 VanDerWaalsContact CA-O 3.31Å; I505-D509 WeakPolarHBondContact CA-O 3.49Å; D506-D509 PolarHBondContact N-O 3.26Å; D506-D509 WeakPolarHBondContact O-CB 3.37Å; D506-D509 PolarHBondContact O-N 3.11Å
510I84.3Confident80.6Confident48 Ų4866.9 Ų66.925%0.24634%0.34CS..EExtended strand (participates in β ladder)trans-111.5120.6-173.8-56.7165.2000109.2C480 P481 A484 I504 I505 L512C480-I510 HydrophobicContact CB-CD1 4.24Å; C480-I510 HydrophobicContact CB-CG1 4.41Å; C480-I510 HydrophobicContact CB-CG2 3.58Å; P481-I510 HydrophobicContact CB-CD1 4.07Å; P481-I510 HydrophobicContact CG-CD1 3.69Å; A484-I510 HydrophobicContact CB-CD1 3.72Å; A484-I510 HydrophobicContact CB-CG1 3.63Å; I504-I510 WeakPolarHBondContact O-CA 3.06Å; I505-I510 HydrophobicContact CG1-CG1 4.5Å; I510-L512 HydrophobicContact CG2-CD2 4.38Å
511H84.3Confident79.9Confident108 Ų10865.5 Ų65.550%0.533%0.333SS..EExtended strand (participates in β ladder)trans-116.6129.1171.8-58.1-82.5000108.6G503 I504G503-H511 CarbonylContact C-O 3.54Å; G503-H511 WeakPolarHBondContact CA-O 3.34Å; I504-H511 HydrophobicContact CB-CB 4.33Å; I504-H511 PolarHBondContact N-O 3.29Å; I504-H511 PolarHBondContact O-N 2.92Å
512L83.4Confident78.5Confident35 Ų3570.3 Ų70.318%0.18337%0.372CS..EExtended strand (participates in β ladder)trans-106.8130.4172.2-60.8176.3000107.2M476 L502 I510M476-L512 HydrophobicContact CB-CD2 4.21Å; M476-L512 HydrophobicContact CE-CD2 3.97Å; L502-L512 WeakPolarHBondContact O-CA 3.38Å; I510-L512 HydrophobicContact CG2-CD2 4.38Å
513M78.3Confident76.4Confident95 Ų9577.9 Ų77.947%0.46841%0.407SS..EExtended strand (participates in β ladder)trans-117126.2175-63.1-175.567.900109.2L502 I504L502-M513 HydrophobicContact CB-CB 4.34Å; L502-M513 PolarHBondContact N-O 2.78Å; L502-M513 PolarHBondContact O-N 3.43Å; I504-M513 HydrophobicContact CD1-CG 4.49Å; I504-M513 HydrophobicContact CD1-SD 3.76Å
514E74.7Confident74.2Confident76 Ų7681 Ų8136%0.35543%0.434SS..SBendtrans-91.3161.9-175.4-35.5-174.2142.400110.6E330 T516E330-E514 VanDerWaalsContact CB-OE1 3.31Å; E330-E514 WeakPolarHBondContact CB-OE1 3.27Å; E330-E514 VanDerWaalsContact CD-CG 3.44Å; E330-E514 HydrophobicContact CG-CG 4.03Å; E330-E514 VanDerWaalsContact CG-OE1 3.28Å; E330-E514 WeakPolarHBondContact CG-OE1 3.36Å; E330-E514 PolarHBondContact N-OE1 2.89Å; E330-E514 WeakPolarHBondContact OE1-CB 3.47Å; E330-E514 WeakPolarHBondContact OE1-CG 3.3Å; E514-T516 PolarHBondContact O-N 3.03Å; E514-T516 PolarHBondContact O-OG1 3.37Å
515H70.7Confident71.9Confident132 Ų13289.2 Ų89.261%0.61146%0.462SS*.SBendtrans45.137.3175.4-59.5-66.2000114.2E500E500-H515 PolarHBondContact O-N 2.74Å; E500-H515 VanDerWaalsContact O-N 3.09Å
516T69.9Low69.7Low34 Ų3490.7 Ų90.721%0.20948%0.478CS..PPolyproline II helixtrans-100.4130.4-175.4-60.70000107.8Y495 E500 L502 E514Y495-T516 WeakPolarHBondContact CE2-O 3.41Å; Y495-T516 PolarHBondContact OH-O 3.09Å; Y495-T516 VanDerWaalsContact OH-O 3.13Å; E500-T516 PolarHBondContact O-N 2.88Å; E500-T516 VanDerWaalsContact O-N 3.12Å; L502-T516 HydrophobicContact CB-CG2 4.32Å; L502-T516 HydrophobicContact CD2-CG2 4.31Å; E514-T516 PolarHBondContact O-N 3.03Å; E514-T516 PolarHBondContact O-OG1 3.37Å
517S78.3Confident67.8Low99 Ų9992.7 Ų92.769%0.69249%0.488SS*.PPolyproline II helixtrans-68.5151170.952.50000110.6P519S517-P519 WeakPolarHBondContact O-CD 3.47Å; S517-P519 VanDerWaalsContact O-N 3.15Å
518C79Confident66Low42 Ų4294.1 Ų94.128%0.28449%0.493SS..PPolyproline II helixtrans-50.4124.7175.7-173.30000109.8Y495 E520Y495-C518 HydrophobicContact CD1-CB 3.76Å; Y495-C518 HydrophobicContact CE1-CB 3.44Å; Y495-C518 VanDerWaalsContact CE1-CB 3.44Å; Y495-C518 HydrophobicContact CG-CB 4.44Å; Y495-C518 PolarHBondContact OH-N 3.26Å; C518-E520 PolarHBondContact O-N 3.11Å
519P77.9Confident64.5Low33 Ų33101 Ų10121%0.21452%0.517CS..PPolyproline II helixtrans-58.5123.5178.9-23.432.4000110.8F466 L502 S517 F521F466-P519 HydrophobicContact CE2-CG 4.35Å; L502-P519 HydrophobicContact CD1-CG 4.12Å; L502-P519 HydrophobicContact CD2-CG 4.04Å; S517-P519 WeakPolarHBondContact O-CD 3.47Å; S517-P519 VanDerWaalsContact O-N 3.15Å; P519-F521 HydrophobicContact CB-CE1 4.31Å; P519-F521 HydrophobicContact CB-CE2 3.99Å; P519-F521 HydrophobicContact CB-CZ 3.79Å; P519-F521 HydrophobicContact CG-CZ 4.5Å; P519-F521 WeakPolarHBondContact O-CD2 3.15Å
520E73.2Confident62.7Low196 Ų196100.9 Ų100.992%0.91651%0.508SS*.PPolyproline II helixtrans-82.2120.5171.7-75.7-171.6169.600109.7C518C518-E520 PolarHBondContact O-N 3.11Å
521F68.2Low60.8Low76 Ų76102.3 Ų102.333%0.33352%0.519SS..PPolyproline II helixtrans-103122.6175.4-56.7-79.3000109.9V461 F466 P519 E523V461-F521 HydrophobicContact CB-CD1 4.07Å; V461-F521 HydrophobicContact CB-CD2 4.49Å; V461-F521 HydrophobicContact CB-CE1 4.27Å; V461-F521 HydrophobicContact CB-CG 4.18Å; V461-F521 HydrophobicContact CG1-CB 3.42Å; V461-F521 VanDerWaalsContact CG1-CB 3.42Å; V461-F521 HydrophobicContact CG1-CD1 3.28Å; V461-F521 HydrophobicContact CG1-CD2 4.03Å; V461-F521 HydrophobicContact CG1-CE1 3.96Å; V461-F521 HydrophobicContact CG1-CG 3.31Å; V461-F521 HydrophobicContact CG2-CD2 4.22Å; V461-F521 HydrophobicContact CG2-CE2 4.43Å; V461-F521 HydrophobicContact CG2-CG 4.34Å; F466-F521 HydrophobicContact CB-CE2 4.08Å; F466-F521 HydrophobicContact CB-CZ 4.11Å; F466-F521 HydrophobicContact CD1-CD2 4.34Å; F466-F521 AromaticContact CD1-CE2 3.6Å; F466-F521 HydrophobicContact CD1-CE2 3.6Å; F466-F521 HydrophobicContact CD1-CZ 4.38Å; F466-F521 AromaticContact CD2-CE2 3.51Å; F466-F521 HydrophobicContact CD2-CE2 3.51Å; F466-F521 AromaticContact CD2-CZ 3.57Å; F466-F521 HydrophobicContact CD2-CZ 3.57Å; F466-F521 AromaticContact CE1-CE2 3.82Å; F466-F521 HydrophobicContact CE1-CE2 3.82Å; F466-F521 AromaticContact CE2-CE2 3.74Å; F466-F521 HydrophobicContact CE2-CE2 3.74Å; F466-F521 HydrophobicContact CE2-CZ 4.05Å; F466-F521 HydrophobicContact CG-CD2 4.48Å; F466-F521 AromaticContact CG-CE2 3.43Å; F466-F521 HydrophobicContact CG-CE2 3.43Å; F466-F521 VanDerWaalsContact CG-CE2 3.43Å; F466-F521 AromaticContact CG-CZ 3.76Å; F466-F521 HydrophobicContact CG-CZ 3.76Å; F466-F521 AromaticContact CZ-CE2 3.89Å; F466-F521 HydrophobicContact CZ-CE2 3.89Å; P519-F521 HydrophobicContact CB-CE1 4.31Å; P519-F521 HydrophobicContact CB-CE2 3.99Å; P519-F521 HydrophobicContact CB-CZ 3.79Å; P519-F521 HydrophobicContact CG-CZ 4.5Å; P519-F521 WeakPolarHBondContact O-CD2 3.15Å; F521-E523 PolarHBondContact O-N 3.37Å
522A55.1Low58.8Low101 Ų101100.9 Ų100.984%0.83552%0.515SS*.PPolyproline II helixtrans-57.1126.4171.400000109.4
523E45.8Very low56.8Low169 Ų169104.4 Ų104.479%0.7953%0.53SS*.  trans-31133.8-170.9-74.7-178.4142.400114.8F521 R525F521-E523 PolarHBondContact O-N 3.37Å; E523-R525 PolarHBondContact O-N 2.92Å
524A43.1Very low54.9Low67 Ų67105.6 Ų105.655%0.55454%0.536SS*.  trans-54.251.6-173.200000117.6G526 I527A524-G526 PolarHBondContact O-N 3.49Å; A524-G526 VanDerWaalsContact O-N 3.14Å; A524-I527 HydrophobicContact CB-CD1 4.28Å
525R42.4Very low53.4Low210 Ų210108 Ų10879%0.79255%0.547SS*.THydrogen-bonded Turntrans-65.6-6.5167.4-82.2-170.6-92.9-166.7-7.2113.1E523E523-R525 PolarHBondContact O-N 2.92Å
526G40.7Very low52Low33 Ų33106.4 Ų106.434%0.3454%0.54SS..Hα-helixtrans-76.6-32.9179.300000115.3A524 R528 K529 R530A524-G526 PolarHBondContact O-N 3.49Å; A524-G526 VanDerWaalsContact O-N 3.14Å; G526-R528 PolarHBondContact O-N 2.93Å; G526-K529 PolarHBondContact O-N 2.99Å; G526-R530 PolarHBondContact O-N 2.86Å; G526-R530 VanDerWaalsContact O-N 3.11Å
527I44.2Very low50.6Low90 Ų90112.2 Ų112.246%0.46256%0.563SS.*Hα-helixtrans-65.4-43.3-173.2-61.9175.3000111A524 K529 R530 V531A524-I527 HydrophobicContact CB-CD1 4.28Å; I527-K529 VanDerWaalsContact C-N 3.29Å; I527-K529 PolarHBondContact O-N 3.32Å; I527-R530 PolarHBondContact O-N 3.33Å; I527-V531 PolarHBondContact O-N 2.97Å; I527-V531 VanDerWaalsContact O-N 3.16Å
528R40.2Very low48.8Very low202 Ų202114.2 Ų114.276%0.76256%0.559SS**Hα-helixtrans-64.9-32.8177.8-159.9174-174.2178.70.7112.3G526 N532G526-R528 PolarHBondContact O-N 2.93Å; R528-N532 WeakPolarHBondContact O-CB 3.48Å; R528-N532 PolarHBondContact O-N 2.77Å; R528-N532 PolarHBondContact O-OD1 3.24Å
529K42.1Very low47.2Very low166 Ų166118.5 Ų118.572%0.72258%0.576SS**Hα-helixtrans-68.3-42.3175.2-80.8-174.4175.2-1780112.1G526 I527 H533G526-K529 PolarHBondContact O-N 2.99Å; I527-K529 VanDerWaalsContact C-N 3.29Å; I527-K529 PolarHBondContact O-N 3.32Å; K529-H533 WeakPolarHBondContact O-CB 3.31Å; K529-H533 PolarHBondContact O-N 3.41Å
530R39.9Very low45.7Very low106 Ų106123.1 Ų123.140%0.460%0.595SS.*Hα-helixtrans-70.2-40.1-179.8-104.6-178.1178.2-165.5-3.3113.5D463 G526 I527 H533 M534D463-R530 IonicContact OD1-CZ 2.7Å; D463-R530 IonicContact OD1-NE 3.22Å; D463-R530 PolarHBondContact OD1-NE 2.67Å; D463-R530 IonicContact OD1-NH2 3.74Å; D463-R530 PolarHBondContact OD1-NH2 2.73Å; G526-R530 PolarHBondContact O-N 2.86Å; G526-R530 VanDerWaalsContact O-N 3.11Å; I527-R530 PolarHBondContact O-N 3.33Å; R530-H533 PolarHBondContact O-N 2.85Å; R530-M534 WeakPolarHBondContact O-CB 3.47Å; R530-M534 WeakPolarHBondContact O-CG 3.46Å; R530-M534 PolarHBondContact O-N 3.26Å
531V45.9Very low44.6Very low79 Ų79115.7 Ų115.748%0.47957%0.57SS.*Hα-helixtrans-62.2-47.7175.4176.90000110.2I527 H533 M534 E535I527-V531 PolarHBondContact O-N 2.97Å; I527-V531 VanDerWaalsContact O-N 3.16Å; V531-H533 VanDerWaalsContact C-N 3.33Å; V531-H533 PolarHBondContact O-N 2.75Å; V531-M534 PolarHBondContact O-N 3.43Å; V531-E535 PolarHBondContact O-N 2.78Å
532N41.2Very low44.1Very low77 Ų77116.1 Ų116.141%0.41258%0.583SS.*Hα-helixtrans-60.4-41.7174.7-713.8000111.7R528 M534 E535 E536R528-N532 WeakPolarHBondContact O-CB 3.48Å; R528-N532 PolarHBondContact O-N 2.77Å; R528-N532 PolarHBondContact O-OD1 3.24Å; N532-M534 PolarHBondContact O-N 2.91Å; N532-E535 PolarHBondContact O-N 3.09Å; N532-E536 VanDerWaalsContact O-CB 3.3Å; N532-E536 WeakPolarHBondContact O-CB 3.5Å; N532-E536 VanDerWaalsContact O-CG 3.28Å; N532-E536 WeakPolarHBondContact O-CG 3.31Å; N532-E536 PolarHBondContact O-N 2.83Å
533H42Very low44.5Very low110 Ų110116.9 Ų116.951%0.50957%0.571SS.*Hα-helixtrans-70.4-32-178.9-155.659.6000113.3K529 R530 V531 E536 K537K529-H533 WeakPolarHBondContact O-CB 3.31Å; K529-H533 PolarHBondContact O-N 3.41Å; R530-H533 PolarHBondContact O-N 2.85Å; V531-H533 VanDerWaalsContact C-N 3.33Å; V531-H533 PolarHBondContact O-N 2.75Å; H533-E536 IonicContact ND1-OE2 3.89Å; H533-E536 PolarHBondContact ND1-OE2 3.17Å; H533-K537 WeakPolarHBondContact O-CB 3.43Å; H533-K537 PolarHBondContact O-N 3.42Å
534M38.3Very low45.6Very low119 Ų119111.7 Ų111.759%0.58656%0.557SS**Hα-helixtrans-74-37.7173.9-74.5-174.876.400112.4R530 V531 N532 K538R530-M534 WeakPolarHBondContact O-CB 3.47Å; R530-M534 WeakPolarHBondContact O-CG 3.46Å; R530-M534 PolarHBondContact O-N 3.26Å; V531-M534 PolarHBondContact O-N 3.43Å; N532-M534 PolarHBondContact O-N 2.91Å; M534-K538 PolarHBondContact O-N 3.11Å; M534-K538 VanDerWaalsContact O-N 3.16Å
535E42.4Very low47Very low126 Ų126111.7 Ų111.759%0.58955%0.55SS*.Hα-helixtrans-65.1-43.7170.5-74.8-172161.400111V531 N532 K538 M539V531-E535 PolarHBondContact O-N 2.78Å; N532-E535 PolarHBondContact O-N 3.09Å; E535-K538 PolarHBondContact O-N 3.08Å; E535-M539 PolarHBondContact O-N 3.33Å
536E41.7Very low48.5Very low99 Ų99106.1 Ų106.146%0.46354%0.535SS..Hα-helixtrans-58.2-48.9172.9-80.7172.7177.600111.4N532 H533 K538 M539 H540N532-E536 VanDerWaalsContact O-CB 3.3Å; N532-E536 WeakPolarHBondContact O-CB 3.5Å; N532-E536 VanDerWaalsContact O-CG 3.28Å; N532-E536 WeakPolarHBondContact O-CG 3.31Å; N532-E536 PolarHBondContact O-N 2.83Å; H533-E536 IonicContact ND1-OE2 3.89Å; H533-E536 PolarHBondContact ND1-OE2 3.17Å; E536-K538 VanDerWaalsContact C-N 3.31Å; E536-K538 PolarHBondContact O-N 3.37Å; E536-M539 PolarHBondContact O-N 3.13Å; E536-H540 WeakPolarHBondContact O-CB 2.98Å; E536-H540 PolarHBondContact O-N 2.92Å; E536-H540 PolarHBondContact O-ND1 2.99Å
537K41Very low50.3Low157 Ų157107.3 Ų107.368%0.68354%0.542SS*.Hα-helixtrans-60.1-38.9179.2-113.5-177.1177.3-178.80112.7H533 G541H533-K537 WeakPolarHBondContact O-CB 3.43Å; H533-K537 PolarHBondContact O-N 3.42Å; K537-G541 PolarHBondContact O-N 2.85Å
538K41.1Very low51.8Low140 Ų140105.4 Ų105.461%0.60954%0.539SS*.Hα-helixtrans-72-42177.1-83.8-177.9179.3170.60112.7M534 E535 E536 H540 G541 S542M534-K538 PolarHBondContact O-N 3.11Å; M534-K538 VanDerWaalsContact O-N 3.16Å; E535-K538 PolarHBondContact O-N 3.08Å; E536-K538 VanDerWaalsContact C-N 3.31Å; E536-K538 PolarHBondContact O-N 3.37Å; K538-H540 VanDerWaalsContact C-N 3.34Å; K538-G541 PolarHBondContact O-N 2.81Å; K538-S542 PolarHBondContact O-N 3.16Å; K538-S542 VanDerWaalsContact O-N 3.1Å
539M45.6Very low53.8Low132 Ų13297.2 Ų97.265%0.6551%0.511SS*.Hα-helixtrans-61.2-44.1172.6-91.5-164.265.900111E535 E536 G541 S542 M543E535-M539 PolarHBondContact O-N 3.33Å; E536-M539 PolarHBondContact O-N 3.13Å; M539-G541 PolarHBondContact O-N 3.24Å; M539-S542 PolarHBondContact O-N 2.83Å; M539-M543 VanDerWaalsContact O-CB 3.25Å; M539-M543 WeakPolarHBondContact O-CB 3.45Å; M539-M543 WeakPolarHBondContact O-CG 3.1Å; M539-M543 PolarHBondContact O-N 2.88Å
540H46.3Very low56Low131 Ų13194 Ų9461%0.60650%0.501SS*.Hα-helixtrans-62.3-41.1176.7-78.986.3000112E536 K538 M543 A544E536-H540 WeakPolarHBondContact O-CB 2.98Å; E536-H540 PolarHBondContact O-N 2.92Å; E536-H540 PolarHBondContact O-ND1 2.99Å; K538-H540 VanDerWaalsContact C-N 3.34Å; H540-M543 PolarHBondContact O-N 3.49Å; H540-A544 WeakPolarHBondContact O-CB 3.25Å; H540-A544 PolarHBondContact O-N 3.02Å
541G49.7Very low58.1Low39 Ų3991 Ų9140%0.40250%0.499SS..Hα-helixtrans-61.8-48.6176.500000113K537 K538 M539 A544 V545K537-G541 PolarHBondContact O-N 2.85Å; K538-G541 PolarHBondContact O-N 2.81Å; M539-G541 PolarHBondContact O-N 3.24Å; G541-A544 PolarHBondContact O-N 2.98Å; G541-V545 WeakPolarHBondContact O-CG2 3.48Å; G541-V545 PolarHBondContact O-N 3.48Å
542S57.1Low59.9Low86 Ų8689.1 Ų89.160%0.60149%0.486SS*.Hα-helixtrans-67.7-36.1178.2-169.50000112.6K538 M539 L546K538-S542 PolarHBondContact O-N 3.16Å; K538-S542 VanDerWaalsContact O-N 3.1Å; M539-S542 PolarHBondContact O-N 2.83Å; S542-L546 WeakPolarHBondContact O-CB 3.36Å; S542-L546 PolarHBondContact O-N 3.31Å; S542-L546 VanDerWaalsContact O-N 3.12Å
543M65.1Low62.3Low116 Ų11688.3 Ų88.357%0.57148%0.484SS*.Hα-helixtrans-69.9-38.2176.7-73-70.9-74.900111.7M539 H540 L546 A547M539-M543 VanDerWaalsContact O-CB 3.25Å; M539-M543 WeakPolarHBondContact O-CB 3.45Å; M539-M543 WeakPolarHBondContact O-CG 3.1Å; M539-M543 PolarHBondContact O-N 2.88Å; H540-M543 PolarHBondContact O-N 3.49Å; M543-L546 PolarHBondContact O-N 3.2Å; M543-A547 VanDerWaalsContact O-CB 3.23Å; M543-A547 WeakPolarHBondContact O-CB 3.21Å; M543-A547 PolarHBondContact O-N 2.82Å
544A69Low64.6Low61 Ų6188.6 Ų88.650%0.50449%0.488SS..Hα-helixtrans-63.8-44.3177.400000111.6H540 G541 A547 A548H540-A544 WeakPolarHBondContact O-CB 3.25Å; H540-A544 PolarHBondContact O-N 3.02Å; G541-A544 PolarHBondContact O-N 2.98Å; A544-A547 PolarHBondContact O-N 3.06Å; A544-A548 WeakPolarHBondContact O-CB 3.25Å; A544-A548 PolarHBondContact O-N 2.67Å
545V71.2Confident66.9Low66 Ų6683.3 Ų83.340%0.446%0.463SS..Hα-helixtrans-62-45.2175170.60000111.4G541 A547 A548 L549 L589G541-V545 WeakPolarHBondContact O-CG2 3.48Å; G541-V545 PolarHBondContact O-N 3.48Å; V545-A547 VanDerWaalsContact C-N 3.33Å; V545-A547 PolarHBondContact O-N 2.89Å; V545-A548 PolarHBondContact O-N 3.12Å; V545-L549 PolarHBondContact O-N 2.83Å; V545-L589 HydrophobicContact CG1-CD1 3.72Å; V545-L589 HydrophobicContact CG1-CD2 3.43Å; V545-L589 VanDerWaalsContact CG1-CD2 3.43Å; V545-L589 HydrophobicContact CG1-CG 4.17Å
546L73.8Confident69.3Low94 Ų9477.7 Ų77.749%0.49244%0.438SS..Hα-helixtrans-65.7-38178.4-170.768.7000111.7S542 M543 L549 L550S542-L546 WeakPolarHBondContact O-CB 3.36Å; S542-L546 PolarHBondContact O-N 3.31Å; S542-L546 VanDerWaalsContact O-N 3.12Å; M543-L546 PolarHBondContact O-N 3.2Å; L546-L549 PolarHBondContact O-N 3.28Å; L546-L550 HydrophobicContact CG-CD1 4.33Å; L546-L550 WeakPolarHBondContact O-CB 3.48Å; L546-L550 VanDerWaalsContact O-CG 3.29Å; L546-L550 WeakPolarHBondContact O-CG 3.28Å; L546-L550 PolarHBondContact O-N 3.05Å
547A78Confident71.7Confident57 Ų5777 Ų7747%0.47144%0.44SS..Hα-helixtrans-65.6-41.4176.200000112.1M543 A544 V545 L550 A551M543-A547 VanDerWaalsContact O-CB 3.23Å; M543-A547 WeakPolarHBondContact O-CB 3.21Å; M543-A547 PolarHBondContact O-N 2.82Å; A544-A547 PolarHBondContact O-N 3.06Å; V545-A547 VanDerWaalsContact C-N 3.33Å; V545-A547 PolarHBondContact O-N 2.89Å; A547-L550 PolarHBondContact O-N 3.26Å; A547-A551 WeakPolarHBondContact O-CB 3.37Å; A547-A551 PolarHBondContact O-N 3.03Å
548A76.6Confident74.1Confident50 Ų5071.7 Ų71.741%0.41342%0.423SS..Hα-helixtrans-62.4-46175.100000111.5A544 V545 L550 A551 N552A544-A548 WeakPolarHBondContact O-CB 3.25Å; A544-A548 PolarHBondContact O-N 2.67Å; V545-A548 PolarHBondContact O-N 3.12Å; A548-L550 PolarHBondContact O-N 2.95Å; A548-A551 PolarHBondContact O-N 3.29Å; A548-N552 PolarHBondContact O-N 2.78Å; A548-N552 PolarHBondContact O-ND2 2.86Å
549L83Confident76.5Confident31 Ų3165.1 Ų65.116%0.16239%0.394CS..Hα-helixtrans-60.9-43.5175.7-176.867.1000111.8V545 L546 A551 N552 V553 Q585 I586V545-L549 PolarHBondContact O-N 2.83Å; L546-L549 PolarHBondContact O-N 3.28Å; L549-A551 VanDerWaalsContact C-N 3.35Å; L549-A551 PolarHBondContact O-N 3.49Å; L549-N552 PolarHBondContact O-N 3.36Å; L549-V553 VanDerWaalsContact O-CG2 3.27Å; L549-V553 WeakPolarHBondContact O-CG2 3.03Å; L549-V553 PolarHBondContact O-N 2.87Å; L549-Q585 HydrophobicContact CD1-CB 4.15Å; L549-I586 HydrophobicContact CD1-CD1 4.5Å; L549-I586 HydrophobicContact CD1-CG1 4.04Å; L549-I586 HydrophobicContact CD2-CG1 4.2Å
550L86.5Confident78.8Confident99 Ų9963.6 Ų63.652%0.51838%0.384SS..Hα-helixtrans-62.8-40.1177-76.8170.4000112.2L546 A547 A548 V553 L554L546-L550 HydrophobicContact CG-CD1 4.33Å; L546-L550 WeakPolarHBondContact O-CB 3.48Å; L546-L550 VanDerWaalsContact O-CG 3.29Å; L546-L550 WeakPolarHBondContact O-CG 3.28Å; L546-L550 PolarHBondContact O-N 3.05Å; A547-L550 PolarHBondContact O-N 3.26Å; A548-L550 PolarHBondContact O-N 2.95Å; L550-V553 PolarHBondContact O-N 3.35Å; L550-L554 VanDerWaalsContact O-CG 3.32Å; L550-L554 WeakPolarHBondContact O-CG 3.28Å; L550-L554 PolarHBondContact O-N 2.9Å
551A84.1Confident80.9Confident43 Ų4360.8 Ų60.836%0.35538%0.376SS..Hα-helixtrans-61.9-45.5176.100000111.4A547 A548 L549 V553 L554 V555A547-A551 WeakPolarHBondContact O-CB 3.37Å; A547-A551 PolarHBondContact O-N 3.03Å; A548-A551 PolarHBondContact O-N 3.29Å; L549-A551 VanDerWaalsContact C-N 3.35Å; L549-A551 PolarHBondContact O-N 3.49Å; A551-V553 PolarHBondContact O-N 2.84Å; A551-L554 PolarHBondContact O-N 3.45Å; A551-V555 WeakPolarHBondContact O-CG2 3.41Å; A551-V555 PolarHBondContact O-N 3.36Å
552N85.4Confident82.9Confident38 Ų3859 Ų5920%0.20336%0.357CS..Hα-helixtrans-66.2-38.4178.3-67.6-29.1000112.4A548 L549 L554 V555 A556 C582 Q585A548-N552 PolarHBondContact O-N 2.78Å; A548-N552 PolarHBondContact O-ND2 2.86Å; L549-N552 PolarHBondContact O-N 3.36Å; N552-L554 VanDerWaalsContact C-N 3.34Å; N552-L554 PolarHBondContact O-N 3.39Å; N552-V555 PolarHBondContact O-N 2.98Å; N552-A556 WeakPolarHBondContact O-CB 3.33Å; N552-A556 PolarHBondContact O-N 3.39Å; N552-C582 VanDerWaalsContact C-SG 3.6Å; N552-Q585 VanDerWaalsContact ND2-CD 3.25Å; N552-Q585 PolarHBondContact ND2-NE2 2.84Å; N552-Q585 PolarHBondContact ND2-OE1 2.87Å
553V90Very high84.5Confident61 Ų6157.1 Ų57.137%0.3734%0.337SS..Hα-helixtrans-61.8-41.8173.1170.20000111.2L549 L550 A551 A556 V557 C582L549-V553 VanDerWaalsContact O-CG2 3.27Å; L549-V553 WeakPolarHBondContact O-CG2 3.03Å; L549-V553 PolarHBondContact O-N 2.87Å; L550-V553 PolarHBondContact O-N 3.35Å; A551-V553 PolarHBondContact O-N 2.84Å; V553-A556 PolarHBondContact O-N 2.91Å; V553-V557 HydrophobicContact CG1-CG2 4.47Å; V553-V557 VanDerWaalsContact O-CG2 3.28Å; V553-V557 WeakPolarHBondContact O-CG2 3.21Å; V553-V557 PolarHBondContact O-N 3.32Å; V553-C582 HydrophobicContact CG2-CB 4.43Å
554L90Very high85.6Confident115 Ų11557.7 Ų57.760%0.60234%0.34SS*.Hα-helixtrans-65.9-39.3177.5-73.6170.6000112.3L550 A551 N552 S558L550-L554 VanDerWaalsContact O-CG 3.32Å; L550-L554 WeakPolarHBondContact O-CG 3.28Å; L550-L554 PolarHBondContact O-N 2.9Å; A551-L554 PolarHBondContact O-N 3.45Å; N552-L554 VanDerWaalsContact C-N 3.34Å; N552-L554 PolarHBondContact O-N 3.39Å; L554-S558 WeakPolarHBondContact O-CB 3.07Å; L554-S558 PolarHBondContact O-N 3.33Å; L554-S558 PolarHBondContact O-OG 3.12Å
555V88.5Confident86.6Confident9 Ų959 Ų596%0.05534%0.338CS..Hα-helixtrans-64.3-45.9174.1172.40000110.4A551 N552 V557 S558 K559 F657 V661A551-V555 WeakPolarHBondContact O-CG2 3.41Å; A551-V555 PolarHBondContact O-N 3.36Å; N552-V555 PolarHBondContact O-N 2.98Å; V555-V557 PolarHBondContact O-N 2.98Å; V555-S558 WeakPolarHBondContact O-CB 3Å; V555-S558 PolarHBondContact O-N 3.2Å; V555-S558 VanDerWaalsContact O-N 3.13Å; V555-K559 HydrophobicContact CG1-CD 4.18Å; V555-K559 HydrophobicContact CG1-CG 4.44Å; V555-K559 WeakPolarHBondContact O-CG 3.48Å; V555-K559 PolarHBondContact O-N 2.75Å; V555-F657 HydrophobicContact CG2-CE1 4.3Å; V555-V661 HydrophobicContact CG2-CB 4.36Å; V555-V661 HydrophobicContact CG2-CG1 3.94Å; V555-V661 HydrophobicContact CG2-CG2 4.43Å
556A91.4Very high87.4Confident8 Ų855.9 Ų55.97%0.06632%0.32CS..Hα-helixtrans-59.3-44.4177.900000112.2N552 V553 S558 K559 F560N552-A556 WeakPolarHBondContact O-CB 3.33Å; N552-A556 PolarHBondContact O-N 3.39Å; V553-A556 PolarHBondContact O-N 2.91Å; A556-S558 VanDerWaalsContact C-N 3.33Å; A556-S558 PolarHBondContact O-N 3.38Å; A556-K559 PolarHBondContact O-N 3.25Å; A556-F560 WeakPolarHBondContact O-CB 3.45Å; A556-F560 PolarHBondContact O-N 3.27Å
557V93.1Very high88Confident83 Ų8352.7 Ų52.750%0.50331%0.309SS..Hα-helixtrans-63.3-41.2175.51710000110.8V553 V555 F560 V561V553-V557 HydrophobicContact CG1-CG2 4.47Å; V553-V557 VanDerWaalsContact O-CG2 3.28Å; V553-V557 WeakPolarHBondContact O-CG2 3.21Å; V553-V557 PolarHBondContact O-N 3.32Å; V555-V557 PolarHBondContact O-N 2.98Å; V557-F560 PolarHBondContact O-N 2.96Å; V557-V561 HydrophobicContact CG1-CG2 4.41Å; V557-V561 VanDerWaalsContact O-CG2 3.31Å; V557-V561 WeakPolarHBondContact O-CG2 3.25Å; V557-V561 PolarHBondContact O-N 2.91Å
558S90.9Very high88.5Confident46 Ų4650 Ų5032%0.32229%0.287SS..Hα-helixtrans-63.2-45.6178.8-59.20000111.8L554 V555 A556 V561 G562L554-S558 WeakPolarHBondContact O-CB 3.07Å; L554-S558 PolarHBondContact O-N 3.33Å; L554-S558 PolarHBondContact O-OG 3.12Å; V555-S558 WeakPolarHBondContact O-CB 3Å; V555-S558 PolarHBondContact O-N 3.2Å; V555-S558 VanDerWaalsContact O-N 3.13Å; A556-S558 VanDerWaalsContact C-N 3.33Å; A556-S558 PolarHBondContact O-N 3.38Å; S558-V561 PolarHBondContact O-N 3.47Å; S558-G562 PolarHBondContact O-N 2.88Å
559K91.9Very high89Confident2 Ų247.8 Ų47.81%0.00927%0.269CS..Hα-helixtrans-61.8-44.6174.8-69.5178.6177.4-1700111.3V555 A556 V561 G562 Y563 M571 E574 S575 S578 I654 E662V555-K559 HydrophobicContact CG1-CD 4.18Å; V555-K559 HydrophobicContact CG1-CG 4.44Å; V555-K559 WeakPolarHBondContact O-CG 3.48Å; V555-K559 PolarHBondContact O-N 2.75Å; A556-K559 PolarHBondContact O-N 3.25Å; K559-V561 PolarHBondContact O-N 2.99Å; K559-G562 CarbonylContact O-C 3.53Å; K559-G562 WeakPolarHBondContact O-CA 3.42Å; K559-G562 PolarHBondContact O-N 3.44Å; K559-Y563 PolarHBondContact O-N 3.35Å; K559-M571 HydrophobicContact CB-SD 3.98Å; K559-M571 HydrophobicContact CG-SD 4.23Å; K559-M571 WeakPolarHBondContact O-CG 3.27Å; K559-E574 HydrophobicContact CD-CB 4.18Å; K559-E574 IonicContact NZ-OE2 2.86Å; K559-E574 PolarHBondContact NZ-OE2 2.78Å; K559-S575 PolarHBondContact O-OG 3.19Å; K559-S575 VanDerWaalsContact O-OG 3.1Å; K559-S578 VanDerWaalsContact CD-OG 3.28Å; K559-S578 WeakPolarHBondContact CD-OG 3.44Å; K559-S578 WeakPolarHBondContact CE-OG 3.29Å; K559-S578 PolarHBondContact NZ-OG 2.93Å; K559-I654 HydrophobicContact CG-CG2 4.19Å; K559-E662 WeakPolarHBondContact CE-OE1 3.13Å; K559-E662 IonicContact NZ-OE1 3.81Å; K559-E662 PolarHBondContact NZ-OE1 3.2Å
560F93Very high89.3Confident101 Ų10146.3 Ų46.344%0.44326%0.261SS..Hα-helixtrans-63.8-40.6179.1-174-103000113.1A556 V557 G562 Y563 M564 S575A556-F560 WeakPolarHBondContact O-CB 3.45Å; A556-F560 PolarHBondContact O-N 3.27Å; V557-F560 PolarHBondContact O-N 2.96Å; F560-G562 VanDerWaalsContact C-N 3.33Å; F560-Y563 HydrophobicContact CD2-CD1 4.35Å; F560-Y563 HydrophobicContact CE2-CD1 4.22Å; F560-Y563 WeakPolarHBondContact O-CB 3.39Å; F560-Y563 PolarHBondContact O-N 3.27Å; F560-M564 HydrophobicContact CD1-CG 4.37Å; F560-M564 HydrophobicContact CE1-CG 4Å; F560-M564 HydrophobicContact CZ-CG 4.26Å; F560-M564 HydrophobicContact CZ-SD 4.4Å; F560-M564 WeakPolarHBondContact O-CG 3.47Å; F560-M564 PolarHBondContact O-N 3.43Å; F560-S575 WeakPolarHBondContact CA-OG 3.47Å; F560-S575 PolarHBondContact N-OG 3.25Å
561V91.6Very high89.6Confident71 Ų7141.6 Ų41.643%0.4324%0.236SC..Hα-helixtrans-64-41.3171.7171.30000110.6V557 S558 K559 Y563 M564 L565V557-V561 HydrophobicContact CG1-CG2 4.41Å; V557-V561 VanDerWaalsContact O-CG2 3.31Å; V557-V561 WeakPolarHBondContact O-CG2 3.25Å; V557-V561 PolarHBondContact O-N 2.91Å; S558-V561 PolarHBondContact O-N 3.47Å; K559-V561 PolarHBondContact O-N 2.99Å; V561-Y563 VanDerWaalsContact C-N 3.28Å; V561-Y563 PolarHBondContact O-N 3.06Å; V561-M564 PolarHBondContact O-N 3.06Å; V561-L565 HydrophobicContact CG1-CD1 3.84Å; V561-L565 HydrophobicContact CG1-CG 4.31Å; V561-L565 WeakPolarHBondContact O-CG 3.36Å; V561-L565 PolarHBondContact O-N 3.25Å
562G90.2Very high89.9Confident1 Ų141 Ų411%0.0123%0.226CC..Hα-helixtrans-55.8-42.4172.900000112.5S558 K559 F560 S566 I654S558-G562 PolarHBondContact O-N 2.88Å; K559-G562 CarbonylContact O-C 3.53Å; K559-G562 WeakPolarHBondContact O-CA 3.42Å; K559-G562 PolarHBondContact O-N 3.44Å; F560-G562 VanDerWaalsContact C-N 3.33Å; G562-S566 VanDerWaalsContact O-CB 3.27Å; G562-S566 WeakPolarHBondContact O-CB 3.22Å; G562-S566 PolarHBondContact O-N 3.16Å; G562-S566 PolarHBondContact O-OG 3.27Å; G562-I654 VanDerWaalsContact CA-CD1 3.49Å
563Y90.5Very high90.2Very high47 Ų4739.3 Ų39.318%0.18422%0.217CC..Hα-helixtrans-62.9-52.3173.8160.7-111.7000111.7K559 F560 V561 L565 S566 G567 S568 M571 M572K559-Y563 PolarHBondContact O-N 3.35Å; F560-Y563 HydrophobicContact CD2-CD1 4.35Å; F560-Y563 HydrophobicContact CE2-CD1 4.22Å; F560-Y563 WeakPolarHBondContact O-CB 3.39Å; F560-Y563 PolarHBondContact O-N 3.27Å; V561-Y563 VanDerWaalsContact C-N 3.28Å; V561-Y563 PolarHBondContact O-N 3.06Å; Y563-L565 PolarHBondContact O-N 3.46Å; Y563-S566 PolarHBondContact O-N 3.27Å; Y563-G567 PolarHBondContact O-N 2.95Å; Y563-S568 WeakPolarHBondContact CD2-O 3.41Å; Y563-M571 VanDerWaalsContact N-CG 3.3Å; Y563-M572 HydrophobicContact CD1-CE 4.14Å; Y563-M572 HydrophobicContact CD1-SD 3.62Å; Y563-M572 HydrophobicContact CD2-CB 3.58Å; Y563-M572 HydrophobicContact CD2-CG 4.23Å; Y563-M572 HydrophobicContact CD2-SD 4.02Å; Y563-M572 HydrophobicContact CE1-CE 3.39Å; Y563-M572 HydrophobicContact CE1-SD 3.52Å; Y563-M572 VanDerWaalsContact CE1-SD 3.52Å; Y563-M572 HydrophobicContact CE2-CB 3.81Å; Y563-M572 HydrophobicContact CE2-CE 3.99Å; Y563-M572 HydrophobicContact CE2-CG 4.1Å; Y563-M572 HydrophobicContact CE2-SD 3.94Å; Y563-M572 HydrophobicContact CG-CB 4.11Å; Y563-M572 HydrophobicContact CG-SD 3.86Å; Y563-M572 WeakPolarHBondContact OH-CE 3.47Å
564M89.7Confident90.3Very high129 Ų12936.4 Ų36.464%0.63520%0.2SC*.Hα-helixtrans-58.2-32.9-178.5-74.2-67.7-68.500113.3F560 V561F560-M564 HydrophobicContact CD1-CG 4.37Å; F560-M564 HydrophobicContact CE1-CG 4Å; F560-M564 HydrophobicContact CZ-CG 4.26Å; F560-M564 HydrophobicContact CZ-SD 4.4Å; F560-M564 WeakPolarHBondContact O-CG 3.47Å; F560-M564 PolarHBondContact O-N 3.43Å; V561-M564 PolarHBondContact O-N 3.06Å
565L89.1Confident90.4Very high88 Ų8831 Ų3146%0.46117%0.172SC..Hα-helixtrans-84.5-18.1179.6-66.6176.4000114.2V561 Y563 T646V561-L565 HydrophobicContact CG1-CD1 3.84Å; V561-L565 HydrophobicContact CG1-CG 4.31Å; V561-L565 WeakPolarHBondContact O-CG 3.36Å; V561-L565 PolarHBondContact O-N 3.25Å; Y563-L565 PolarHBondContact O-N 3.46Å; L565-T646 PolarHBondContact O-OG1 3.41Å
566S88.9Confident90.5Very high1 Ų132.1 Ų32.11%0.00718%0.177CC..Hα-helixtrans-117.7-24.8-172.266.60000115.4G562 Y563 S568 V645 T646 V651G562-S566 VanDerWaalsContact O-CB 3.27Å; G562-S566 WeakPolarHBondContact O-CB 3.22Å; G562-S566 PolarHBondContact O-N 3.16Å; G562-S566 PolarHBondContact O-OG 3.27Å; Y563-S566 PolarHBondContact O-N 3.27Å; S566-S568 PolarHBondContact O-N 2.73Å; S566-S568 WeakPolarHBondContact OG-CB 3.21Å; S566-S568 PolarHBondContact OG-N 2.81Å; S566-V645 WeakPolarHBondContact O-CA 3.47Å; S566-T646 VanDerWaalsContact CA-O 3.23Å; S566-T646 WeakPolarHBondContact CA-O 3.47Å; S566-T646 WeakPolarHBondContact CA-OG1 2.78Å; S566-T646 VanDerWaalsContact CB-O 3.23Å; S566-T646 WeakPolarHBondContact CB-O 3.45Å; S566-T646 PolarHBondContact O-N 2.91Å; S566-T646 VanDerWaalsContact O-N 3.07Å; S566-T646 PolarHBondContact O-OG1 3.24Å; S566-V651 WeakPolarHBondContact OG-CG2 3.21Å
567G85.2Confident90.5Very high27 Ų2731.8 Ų31.828%0.27817%0.174SC..  trans681.7-170.200000114.8Y563 A569 K637Y563-G567 PolarHBondContact O-N 2.95Å; G567-A569 PolarHBondContact O-N 3.02Å; G567-K637 PolarHBondContact O-NZ 3.04Å
568S88.7Confident90.3Very high0 Ų028.1 Ų28.10%015%0.152CC..  trans-57.7127.8-176.7163.20000111.7Y563 S566 A570 M571 M572 D728Y563-S568 WeakPolarHBondContact CD2-O 3.41Å; S566-S568 PolarHBondContact O-N 2.73Å; S566-S568 WeakPolarHBondContact OG-CB 3.21Å; S566-S568 PolarHBondContact OG-N 2.81Å; S568-A570 PolarHBondContact OG-N 3.14Å; S568-M571 PolarHBondContact OG-N 3.41Å; S568-M572 WeakPolarHBondContact O-CB 3.37Å; S568-M572 PolarHBondContact O-N 3.44Å; S568-D728 WeakPolarHBondContact CA-OD2 3.41Å; S568-D728 VanDerWaalsContact OG-CG 3.24Å; S568-D728 PolarHBondContact OG-OD1 3.03Å; S568-D728 PolarHBondContact OG-OD2 2.75Å
569A87.6Confident90.3Very high3 Ų329.5 Ų29.53%0.02516%0.159CC..Hα-helixtrans-62.7-41.7170.700000111.7G567 M572 N573 K637 D728 A729G567-A569 PolarHBondContact O-N 3.02Å; A569-M572 WeakPolarHBondContact O-CB 3.39Å; A569-M572 PolarHBondContact O-N 3.27Å; A569-N573 PolarHBondContact O-N 2.75Å; A569-K637 HydrophobicContact CB-CD 3.44Å; A569-K637 VanDerWaalsContact CB-CD 3.44Å; A569-D728 WeakPolarHBondContact CA-OD2 3.01Å; A569-D728 WeakPolarHBondContact CB-OD2 3.42Å; A569-D728 PolarHBondContact N-OD2 3.05Å; A569-A729 HydrophobicContact CB-CB 4.25Å
570A89.8Confident90.2Very high0 Ų030.2 Ų30.20%016%0.163CC..Hα-helixtrans-62-48.6178.200000110.9S568 M572 N573 E574 A712 D728 S731S568-A570 PolarHBondContact OG-N 3.14Å; A570-M572 VanDerWaalsContact C-N 3.31Å; A570-M572 PolarHBondContact O-N 2.95Å; A570-N573 PolarHBondContact O-N 3.28Å; A570-E574 WeakPolarHBondContact O-CG 3.33Å; A570-E574 PolarHBondContact O-N 3.18Å; A570-A712 HydrophobicContact CB-CB 3.95Å; A570-D728 WeakPolarHBondContact CB-OD1 3.3Å; A570-D728 PolarHBondContact N-OD2 3.03Å; A570-D728 VanDerWaalsContact N-OD2 3.08Å; A570-S731 WeakPolarHBondContact CB-OG 3.44Å
571M91.3Very high90Very high0 Ų025.9 Ų25.90%015%0.145CC..Hα-helixtrans-65.2-33.6177.8-172.957.871.500112.3K559 Y563 S568 S575 V651 I654 L655K559-M571 HydrophobicContact CB-SD 3.98Å; K559-M571 HydrophobicContact CG-SD 4.23Å; K559-M571 WeakPolarHBondContact O-CG 3.27Å; Y563-M571 VanDerWaalsContact N-CG 3.3Å; S568-M571 PolarHBondContact OG-N 3.41Å; M571-S575 WeakPolarHBondContact O-CB 3.29Å; M571-S575 PolarHBondContact O-N 3.32Å; M571-S575 PolarHBondContact O-OG 2.74Å; M571-V651 HydrophobicContact CB-CG1 4.42Å; M571-V651 HydrophobicContact CE-CB 4.28Å; M571-V651 HydrophobicContact CE-CG1 3.5Å; M571-V651 VanDerWaalsContact CE-CG1 3.5Å; M571-I654 HydrophobicContact CE-CB 4.11Å; M571-I654 HydrophobicContact CE-CG2 4Å; M571-I654 HydrophobicContact SD-CG2 4.28Å; M571-L655 HydrophobicContact CE-CD1 4.34Å; M571-L655 HydrophobicContact CE-CD2 3.51Å; M571-L655 HydrophobicContact CE-CG 3.57Å; M571-L655 HydrophobicContact SD-CD2 4.3Å
572M91.1Very high89.9Confident31 Ų3123.1 Ų23.115%0.15313%0.128CC..Hα-helixtrans-61.7-48.3172.4-178.658.3131.300111.3Y563 S568 A569 A570 E574 S575 I576 E633Y563-M572 HydrophobicContact CD1-CE 4.14Å; Y563-M572 HydrophobicContact CD1-SD 3.62Å; Y563-M572 HydrophobicContact CD2-CB 3.58Å; Y563-M572 HydrophobicContact CD2-CG 4.23Å; Y563-M572 HydrophobicContact CD2-SD 4.02Å; Y563-M572 HydrophobicContact CE1-CE 3.39Å; Y563-M572 HydrophobicContact CE1-SD 3.52Å; Y563-M572 VanDerWaalsContact CE1-SD 3.52Å; Y563-M572 HydrophobicContact CE2-CB 3.81Å; Y563-M572 HydrophobicContact CE2-CE 3.99Å; Y563-M572 HydrophobicContact CE2-CG 4.1Å; Y563-M572 HydrophobicContact CE2-SD 3.94Å; Y563-M572 HydrophobicContact CG-CB 4.11Å; Y563-M572 HydrophobicContact CG-SD 3.86Å; Y563-M572 WeakPolarHBondContact OH-CE 3.47Å; S568-M572 WeakPolarHBondContact O-CB 3.37Å; S568-M572 PolarHBondContact O-N 3.44Å; A569-M572 WeakPolarHBondContact O-CB 3.39Å; A569-M572 PolarHBondContact O-N 3.27Å; A570-M572 VanDerWaalsContact C-N 3.31Å; A570-M572 PolarHBondContact O-N 2.95Å; M572-E574 VanDerWaalsContact C-N 3.34Å; M572-E574 PolarHBondContact O-N 2.97Å; M572-S575 WeakPolarHBondContact O-CA 3.16Å; M572-S575 WeakPolarHBondContact O-CB 3.37Å; M572-S575 PolarHBondContact O-N 3.02Å; M572-S575 VanDerWaalsContact O-N 3.08Å; M572-I576 HydrophobicContact CG-CD1 4.14Å; M572-I576 WeakPolarHBondContact O-CG1 3.24Å; M572-I576 PolarHBondContact O-N 3.14Å; M572-I576 HydrophobicContact SD-CD1 4.48Å; M572-I576 HydrophobicContact SD-CG1 4.5Å; M572-E633 HydrophobicContact CG-CG 3.95Å
573N91.4Very high89.9Confident2 Ų225.2 Ų25.21%0.01114%0.143CC..Hα-helixtrans-65.8-39.9-179.3-158.56.2000111.7A569 A570 S575 I576 H577 G630 G732 I735 G736A569-N573 PolarHBondContact O-N 2.75Å; A570-N573 PolarHBondContact O-N 3.28Å; N573-S575 VanDerWaalsContact C-N 3.26Å; N573-S575 PolarHBondContact O-N 3.26Å; N573-I576 PolarHBondContact O-N 3Å; N573-H577 WeakPolarHBondContact O-CB 3.41Å; N573-H577 PolarHBondContact O-N 3.06Å; N573-G630 VanDerWaalsContact OD1-CA 3.25Å; N573-G630 WeakPolarHBondContact OD1-CA 3.38Å; N573-G732 PolarHBondContact ND2-O 2.97Å; N573-I735 HydrophobicContact CB-CG2 4.42Å; N573-I735 WeakPolarHBondContact ND2-CB 3.36Å; N573-G736 WeakPolarHBondContact ND2-CA 3.35Å; N573-G736 PolarHBondContact ND2-N 3.44Å
574E92.1Very high89.9Confident0 Ų023 Ų230%013%0.134CC..Hα-helixtrans-59.9-35.4170.8-75.8-6113900112.8K559 A570 M572 S578 L655 G708 L709 A712 I735K559-E574 HydrophobicContact CD-CB 4.18Å; K559-E574 IonicContact NZ-OE2 2.86Å; K559-E574 PolarHBondContact NZ-OE2 2.78Å; A570-E574 WeakPolarHBondContact O-CG 3.33Å; A570-E574 PolarHBondContact O-N 3.18Å; M572-E574 VanDerWaalsContact C-N 3.34Å; M572-E574 PolarHBondContact O-N 2.97Å; E574-S578 PolarHBondContact O-N 2.64Å; E574-S578 PolarHBondContact O-OG 2.76Å; E574-L655 HydrophobicContact CG-CD2 4.36Å; E574-G708 WeakPolarHBondContact OE1-CA 3.27Å; E574-L709 HydrophobicContact CG-CD2 4.23Å; E574-L709 PolarHBondContact OE1-N 3.06Å; E574-L709 VanDerWaalsContact OE2-CD2 3.32Å; E574-L709 WeakPolarHBondContact OE2-CD2 3.38Å; E574-A712 HydrophobicContact CG-CB 4.15Å; E574-I735 HydrophobicContact CG-CD1 4.39Å
575S92.2Very high89.7Confident2 Ų218.7 Ų18.71%0.01411%0.112CC..Hα-helixtrans-69.9-44.1175-57.10000111.9K559 F560 M571 M572 N573 H577 S578 V579K559-S575 PolarHBondContact O-OG 3.19Å; K559-S575 VanDerWaalsContact O-OG 3.1Å; F560-S575 WeakPolarHBondContact CA-OG 3.47Å; F560-S575 PolarHBondContact N-OG 3.25Å; M571-S575 WeakPolarHBondContact O-CB 3.29Å; M571-S575 PolarHBondContact O-N 3.32Å; M571-S575 PolarHBondContact O-OG 2.74Å; M572-S575 WeakPolarHBondContact O-CA 3.16Å; M572-S575 WeakPolarHBondContact O-CB 3.37Å; M572-S575 PolarHBondContact O-N 3.02Å; M572-S575 VanDerWaalsContact O-N 3.08Å; N573-S575 VanDerWaalsContact C-N 3.26Å; N573-S575 PolarHBondContact O-N 3.26Å; S575-H577 VanDerWaalsContact C-N 3.3Å; S575-H577 PolarHBondContact O-N 3.36Å; S575-S578 PolarHBondContact O-N 3.26Å; S575-V579 VanDerWaalsContact O-CG2 3.31Å; S575-V579 WeakPolarHBondContact O-CG2 3.46Å; S575-V579 PolarHBondContact O-N 3.17Å
576I91.5Very high89.8Confident33 Ų3319.1 Ų19.117%0.16911%0.114CC..Hα-helixtrans-59-45.8175-68.3168.3000109.7M572 N573 V579 V580 L629M572-I576 HydrophobicContact CG-CD1 4.14Å; M572-I576 WeakPolarHBondContact O-CG1 3.24Å; M572-I576 PolarHBondContact O-N 3.14Å; M572-I576 HydrophobicContact SD-CD1 4.48Å; M572-I576 HydrophobicContact SD-CG1 4.5Å; N573-I576 PolarHBondContact O-N 3Å; I576-V579 PolarHBondContact O-N 3.07Å; I576-V580 WeakPolarHBondContact O-CG2 3.39Å; I576-V580 PolarHBondContact O-N 3.47Å; I576-L629 HydrophobicContact CD1-CB 4.31Å; I576-L629 HydrophobicContact CG2-CB 4.5Å
577H90.7Very high89.9Confident1 Ų121.3 Ų21.31%0.00513%0.125CC..Hα-helixtrans-58.1-51.9177.2-174.315.7000111.4N573 S575 V579 V580 D581 L739N573-H577 WeakPolarHBondContact O-CB 3.41Å; N573-H577 PolarHBondContact O-N 3.06Å; S575-H577 VanDerWaalsContact C-N 3.3Å; S575-H577 PolarHBondContact O-N 3.36Å; H577-V579 VanDerWaalsContact C-N 3.29Å; H577-V579 PolarHBondContact O-N 3.35Å; H577-V580 CarbonylContact O-C 3.54Å; H577-V580 WeakPolarHBondContact O-CA 3.19Å; H577-V580 VanDerWaalsContact O-CB 3.29Å; H577-V580 WeakPolarHBondContact O-CB 3.36Å; H577-V580 PolarHBondContact O-N 2.87Å; H577-D581 IonicContact CE1-OD1 3.98Å; H577-D581 PolarHBondContact CE1-OD1 3.26Å; H577-D581 IonicContact CE1-OD2 3.92Å; H577-D581 PolarHBondContact CE1-OD2 3.3Å; H577-D581 IonicContact CG-OD2 2.7Å; H577-D581 IonicContact ND1-OD1 3.94Å; H577-D581 PolarHBondContact ND1-OD1 3.27Å; H577-D581 IonicContact ND1-OD2 2.99Å; H577-D581 PolarHBondContact ND1-OD2 2.86Å; H577-D581 IonicContact NE2-OD2 3.18Å; H577-D581 PolarHBondContact O-N 2.79Å; H577-L739 HydrophobicContact CB-CD1 4.08Å
578S89.2Confident90.1Very high5 Ų520.8 Ų20.84%0.03512%0.116CC..Hα-helixtrans-67.2-26.5-178.8-65.20000114.1K559 E574 S575 C582K559-S578 VanDerWaalsContact CD-OG 3.28Å; K559-S578 WeakPolarHBondContact CD-OG 3.44Å; K559-S578 WeakPolarHBondContact CE-OG 3.29Å; K559-S578 PolarHBondContact NZ-OG 2.93Å; E574-S578 PolarHBondContact O-N 2.64Å; E574-S578 PolarHBondContact O-OG 2.76Å; S575-S578 PolarHBondContact O-N 3.26Å; S578-C582 PolarHBondContact O-N 2.94Å; S578-C582 PolarHBondContact O-SG 3.42Å
579V90.9Very high90Very high76 Ų7623.4 Ų23.446%0.46113%0.13SC..Hα-helixtrans-70-40.5169.9170.60000111S575 I576 H577 D581 S583S575-V579 VanDerWaalsContact O-CG2 3.31Å; S575-V579 WeakPolarHBondContact O-CG2 3.46Å; S575-V579 PolarHBondContact O-N 3.17Å; I576-V579 PolarHBondContact O-N 3.07Å; H577-V579 VanDerWaalsContact C-N 3.29Å; H577-V579 PolarHBondContact O-N 3.35Å; V579-D581 VanDerWaalsContact C-N 3.35Å; V579-S583 PolarHBondContact O-N 3.13Å; V579-S583 VanDerWaalsContact O-N 3.12Å; V579-S583 PolarHBondContact O-OG 3.39Å
580V90.5Very high90.1Very high17 Ų1728.8 Ų28.810%0.10315%0.153CC..Hα-helixtrans-60.8-44.6172.81580000110.5I576 H577 C582 S583 N584 L622I576-V580 WeakPolarHBondContact O-CG2 3.39Å; I576-V580 PolarHBondContact O-N 3.47Å; H577-V580 CarbonylContact O-C 3.54Å; H577-V580 WeakPolarHBondContact O-CA 3.19Å; H577-V580 VanDerWaalsContact O-CB 3.29Å; H577-V580 WeakPolarHBondContact O-CB 3.36Å; H577-V580 PolarHBondContact O-N 2.87Å; V580-C582 PolarHBondContact O-N 2.94Å; V580-S583 CarbonylContact O-C 3.5Å; V580-S583 WeakPolarHBondContact O-CA 3.38Å; V580-S583 VanDerWaalsContact O-CB 3.3Å; V580-S583 WeakPolarHBondContact O-CB 3.44Å; V580-S583 PolarHBondContact O-N 3.32Å; V580-N584 PolarHBondContact O-N 3.03Å; V580-N584 PolarHBondContact O-ND2 3.41Å; V580-N584 PolarHBondContact O-OD1 3.06Å; V580-L622 HydrophobicContact CG1-CB 3.99Å
581D87.3Confident90.1Very high10 Ų1028.8 Ų28.85%0.05315%0.153CC..Hα-helixtrans-60.2-44.8179.5-61.4-16.6000112.3H577 V579 S583 N584 Q585 E701H577-D581 IonicContact CE1-OD1 3.98Å; H577-D581 PolarHBondContact CE1-OD1 3.26Å; H577-D581 IonicContact CE1-OD2 3.92Å; H577-D581 PolarHBondContact CE1-OD2 3.3Å; H577-D581 IonicContact CG-OD2 2.7Å; H577-D581 IonicContact ND1-OD1 3.94Å; H577-D581 PolarHBondContact ND1-OD1 3.27Å; H577-D581 IonicContact ND1-OD2 2.99Å; H577-D581 PolarHBondContact ND1-OD2 2.86Å; H577-D581 IonicContact NE2-OD2 3.18Å; H577-D581 PolarHBondContact O-N 2.79Å; V579-D581 VanDerWaalsContact C-N 3.35Å; D581-S583 VanDerWaalsContact C-N 3.25Å; D581-S583 PolarHBondContact O-N 2.99Å; D581-N584 WeakPolarHBondContact O-CB 3.41Å; D581-N584 PolarHBondContact O-N 2.89Å; D581-Q585 WeakPolarHBondContact O-CG 3.49Å; D581-Q585 PolarHBondContact O-N 3.46Å; D581-E701 HydrophobicContact CB-CG 4.49Å; D581-E701 VanDerWaalsContact CB-OE1 3.25Å; D581-E701 WeakPolarHBondContact CB-OE1 3.1Å; D581-E701 WeakPolarHBondContact OD1-CG 3.21Å
582C89.5Confident89.8Confident13 Ų1331.6 Ų31.69%0.08817%0.168CC..Hα-helixtrans-58.3-41.1172.6-65.80000111.6N552 V553 S578 V580 I586N552-C582 VanDerWaalsContact C-SG 3.6Å; V553-C582 HydrophobicContact CG2-CB 4.43Å; S578-C582 PolarHBondContact O-N 2.94Å; S578-C582 PolarHBondContact O-SG 3.42Å; V580-C582 PolarHBondContact O-N 2.94Å; C582-I586 WeakPolarHBondContact O-CG1 3.48Å; C582-I586 PolarHBondContact O-N 2.91Å
583S90.3Very high89.4Confident45 Ų4539.2 Ų39.232%0.31520%0.195SC..Hα-helixtrans-69.7-38.4179.7-55.80000112V579 V580 D581 I586 L587V579-S583 PolarHBondContact O-N 3.13Å; V579-S583 VanDerWaalsContact O-N 3.12Å; V579-S583 PolarHBondContact O-OG 3.39Å; V580-S583 CarbonylContact O-C 3.5Å; V580-S583 WeakPolarHBondContact O-CA 3.38Å; V580-S583 VanDerWaalsContact O-CB 3.3Å; V580-S583 WeakPolarHBondContact O-CB 3.44Å; V580-S583 PolarHBondContact O-N 3.32Å; D581-S583 VanDerWaalsContact C-N 3.25Å; D581-S583 PolarHBondContact O-N 2.99Å; S583-I586 PolarHBondContact O-N 3.12Å; S583-L587 PolarHBondContact O-N 2.75Å; S583-L587 VanDerWaalsContact O-N 3.11Å
584N89.9Confident89.2Confident0 Ų042.7 Ų42.70%021%0.208CC..Hα-helixtrans-59.1-50.1176.1-61.9-22.9000110.4V580 D581 I586 L587 L588 V618 L622 F623 E701V580-N584 PolarHBondContact O-N 3.03Å; V580-N584 PolarHBondContact O-ND2 3.41Å; V580-N584 PolarHBondContact O-OD1 3.06Å; D581-N584 WeakPolarHBondContact O-CB 3.41Å; D581-N584 PolarHBondContact O-N 2.89Å; N584-I586 VanDerWaalsContact C-N 3.34Å; N584-I586 PolarHBondContact O-N 3.23Å; N584-L587 PolarHBondContact O-N 3.49Å; N584-L587 VanDerWaalsContact O-N 3.14Å; N584-L588 WeakPolarHBondContact O-CG 3.42Å; N584-L588 PolarHBondContact O-N 3.11Å; N584-V618 HydrophobicContact CB-CG1 3.82Å; N584-V618 HydrophobicContact CB-CG2 4.38Å; N584-V618 WeakPolarHBondContact OD1-CG1 3.44Å; N584-L622 WeakPolarHBondContact OD1-CB 3.26Å; N584-L622 WeakPolarHBondContact OD1-CD1 3.31Å; N584-F623 WeakPolarHBondContact ND2-CE2 3.44Å; N584-E701 PolarHBondContact ND2-OE2 3.31Å
585Q87.4Confident88.8Confident38 Ų3843.3 Ų43.318%0.17821%0.213CC..Hα-helixtrans-60.3-42.8-179.6-71.6169.823.100111.9L549 N552 D581 L587 L588 L589L549-Q585 HydrophobicContact CD1-CB 4.15Å; N552-Q585 VanDerWaalsContact ND2-CD 3.25Å; N552-Q585 PolarHBondContact ND2-NE2 2.84Å; N552-Q585 PolarHBondContact ND2-OE1 2.87Å; D581-Q585 WeakPolarHBondContact O-CG 3.49Å; D581-Q585 PolarHBondContact O-N 3.46Å; Q585-L587 VanDerWaalsContact C-N 3.33Å; Q585-L587 PolarHBondContact O-N 2.91Å; Q585-L588 PolarHBondContact O-N 3.43Å; Q585-L589 VanDerWaalsContact O-CG 3.29Å; Q585-L589 WeakPolarHBondContact O-CG 3.19Å; Q585-L589 PolarHBondContact O-N 3.45Å
586I90.6Very high88.1Confident97 Ų9746.8 Ų46.850%0.49724%0.242SC..Hα-helixtrans-60.7-43.1176.3-67.9167.2000111.2L549 C582 S583 N584 L589 F590L549-I586 HydrophobicContact CD1-CD1 4.5Å; L549-I586 HydrophobicContact CD1-CG1 4.04Å; L549-I586 HydrophobicContact CD2-CG1 4.2Å; C582-I586 WeakPolarHBondContact O-CG1 3.48Å; C582-I586 PolarHBondContact O-N 2.91Å; S583-I586 PolarHBondContact O-N 3.12Å; N584-I586 VanDerWaalsContact C-N 3.34Å; N584-I586 PolarHBondContact O-N 3.23Å; I586-L589 PolarHBondContact O-N 3.05Å; I586-F590 PolarHBondContact O-N 2.93Å
587L91.4Very high87.3Confident48 Ų4851.3 Ų51.325%0.25126%0.257SS..Hα-helixtrans-68.1-39.6177.8-83.2171.3000112.8S583 N584 Q585 L589 F590 G591 F614 I617 V618 L622S583-L587 PolarHBondContact O-N 2.75Å; S583-L587 VanDerWaalsContact O-N 3.11Å; N584-L587 PolarHBondContact O-N 3.49Å; N584-L587 VanDerWaalsContact O-N 3.14Å; Q585-L587 VanDerWaalsContact C-N 3.33Å; Q585-L587 PolarHBondContact O-N 2.91Å; L587-L589 VanDerWaalsContact C-N 3.31Å; L587-L589 PolarHBondContact O-N 3.1Å; L587-F590 WeakPolarHBondContact O-CB 3.48Å; L587-F590 PolarHBondContact O-N 3.1Å; L587-F590 VanDerWaalsContact O-N 3.13Å; L587-G591 PolarHBondContact O-N 3.31Å; L587-F614 HydrophobicContact CD2-CD1 4.08Å; L587-F614 HydrophobicContact CD2-CE1 4.33Å; L587-I617 HydrophobicContact CD1-CG2 4.25Å; L587-V618 HydrophobicContact CB-CG2 3.91Å; L587-V618 HydrophobicContact CD1-CG2 4.07Å; L587-L622 HydrophobicContact CD1-CD1 3.55Å; L587-L622 HydrophobicContact CD1-CG 4.4Å
588L88.2Confident86.5Confident16 Ų1652.2 Ų52.28%0.08427%0.267CS..Hα-helixtrans-62.8-39175.8-67.9179.5000111.4N584 Q585 F590 G591 D592 V618 E694 I697N584-L588 WeakPolarHBondContact O-CG 3.42Å; N584-L588 PolarHBondContact O-N 3.11Å; Q585-L588 PolarHBondContact O-N 3.43Å; L588-F590 VanDerWaalsContact C-N 3.29Å; L588-F590 PolarHBondContact O-N 3.2Å; L588-G591 CarbonylContact O-C 3.5Å; L588-G591 WeakPolarHBondContact O-CA 3.37Å; L588-G591 PolarHBondContact O-N 3.32Å; L588-G591 VanDerWaalsContact O-N 3.12Å; L588-D592 PolarHBondContact O-N 3.14Å; L588-V618 HydrophobicContact CD2-CG2 4.48Å; L588-E694 HydrophobicContact CD2-CG 4.4Å; L588-I697 HydrophobicContact CD1-CD1 4.38Å; L588-I697 HydrophobicContact CD1-CG2 4.35Å; L588-I697 HydrophobicContact CD2-CD1 3.9Å
589L87.4Confident85.6Confident55 Ų5556 Ų5629%0.28828%0.284SS..Hα-helixtrans-62.4-35.9173.1-68.5175.4000112.9V545 Q585 I586 L587 R593V545-L589 HydrophobicContact CG1-CD1 3.72Å; V545-L589 HydrophobicContact CG1-CD2 3.43Å; V545-L589 VanDerWaalsContact CG1-CD2 3.43Å; V545-L589 HydrophobicContact CG1-CG 4.17Å; Q585-L589 VanDerWaalsContact O-CG 3.29Å; Q585-L589 WeakPolarHBondContact O-CG 3.19Å; Q585-L589 PolarHBondContact O-N 3.45Å; I586-L589 PolarHBondContact O-N 3.05Å; L587-L589 VanDerWaalsContact C-N 3.31Å; L587-L589 PolarHBondContact O-N 3.1Å; L589-R593 WeakPolarHBondContact O-CB 3.25Å; L589-R593 WeakPolarHBondContact O-CG 3.39Å; L589-R593 PolarHBondContact O-N 3.27Å; L589-R593 VanDerWaalsContact O-N 3.09Å
590F89.6Confident84.3Confident115 Ų11553.7 Ų53.750%0.50427%0.271SS..Hα-helixtrans-68.1-42.1173.3-167-92.2000111.3I586 L587 L588 R593 R594 F614I586-F590 PolarHBondContact O-N 2.93Å; L587-F590 WeakPolarHBondContact O-CB 3.48Å; L587-F590 PolarHBondContact O-N 3.1Å; L587-F590 VanDerWaalsContact O-N 3.13Å; L588-F590 VanDerWaalsContact C-N 3.29Å; L588-F590 PolarHBondContact O-N 3.2Å; F590-R593 PolarHBondContact O-N 3.2Å; F590-R594 WeakPolarHBondContact O-CB 3.34Å; F590-R594 PolarHBondContact O-N 2.91Å; F590-F614 HydrophobicContact CD1-CD1 4.48Å; F590-F614 AromaticContact CD1-CE1 3.71Å; F590-F614 HydrophobicContact CD1-CE1 3.71Å; F590-F614 AromaticContact CD1-CE2 3.84Å; F590-F614 HydrophobicContact CD1-CE2 3.84Å; F590-F614 AromaticContact CD1-CZ 3.36Å; F590-F614 HydrophobicContact CD1-CZ 3.36Å; F590-F614 HydrophobicContact CE1-CE1 4.2Å; F590-F614 HydrophobicContact CE1-CE2 4.15Å; F590-F614 AromaticContact CE1-CZ 3.55Å; F590-F614 HydrophobicContact CE1-CZ 3.55Å
591G89.1Confident82.9Confident1 Ų161.1 Ų61.11%0.0131%0.305CS..Hα-helixtrans-58.2-45.6173.800000112.8L587 L588 R594 A595 F614L587-G591 PolarHBondContact O-N 3.31Å; L588-G591 CarbonylContact O-C 3.5Å; L588-G591 WeakPolarHBondContact O-CA 3.37Å; L588-G591 PolarHBondContact O-N 3.32Å; L588-G591 VanDerWaalsContact O-N 3.12Å; G591-R594 PolarHBondContact O-N 2.89Å; G591-A595 WeakPolarHBondContact O-CB 3.44Å; G591-A595 PolarHBondContact O-N 3.02Å; G591-F614 VanDerWaalsContact CA-CD2 3.47Å
592D85Confident82.2Confident58 Ų5867.5 Ų67.531%0.3134%0.338SS..Hα-helixtrans-61-47.3176-81.1-25.5000112.4L588 R594 A595 A596 K611L588-D592 PolarHBondContact O-N 3.14Å; D592-R594 PolarHBondContact O-N 3.32Å; D592-A595 PolarHBondContact O-N 3.38Å; D592-A596 WeakPolarHBondContact O-CB 3.49Å; D592-A596 PolarHBondContact O-N 3.15Å; D592-K611 VanDerWaalsContact OD1-CE 3.27Å; D592-K611 WeakPolarHBondContact OD1-CE 3.45Å; D592-K611 IonicContact OD1-NZ 3.83Å; D592-K611 PolarHBondContact OD1-NZ 3.29Å
593R84.2Confident81.8Confident191 Ų19170 Ų7072%0.72135%0.348SS*.Hα-helixtrans-61.1-36177.1-77.5179.4-179.9174.32.3111.9L589 F590L589-R593 WeakPolarHBondContact O-CB 3.25Å; L589-R593 WeakPolarHBondContact O-CG 3.39Å; L589-R593 PolarHBondContact O-N 3.27Å; L589-R593 VanDerWaalsContact O-N 3.09Å; F590-R593 PolarHBondContact O-N 3.2Å
594R85.2Confident81.3Confident76 Ų7674.3 Ų74.329%0.28736%0.364SS..Hα-helixtrans-75.6-44.2179.3-156.454.8166.9121-0.1111F590 G591 D592 A596 R597 E607 A610F590-R594 WeakPolarHBondContact O-CB 3.34Å; F590-R594 PolarHBondContact O-N 2.91Å; G591-R594 PolarHBondContact O-N 2.89Å; D592-R594 PolarHBondContact O-N 3.32Å; R594-A596 VanDerWaalsContact C-N 3.28Å; R594-A596 PolarHBondContact O-N 3.42Å; R594-R597 VanDerWaalsContact O-CB 3.27Å; R594-R597 WeakPolarHBondContact O-CB 3.41Å; R594-R597 PolarHBondContact O-N 2.92Å; R594-E607 WeakPolarHBondContact CD-OE2 3.5Å; R594-E607 WeakPolarHBondContact CG-OE2 3.41Å; R594-E607 IonicContact CZ-OE1 2.64Å; R594-E607 VanDerWaalsContact CZ-OE1 3.29Å; R594-E607 IonicContact CZ-OE2 2.75Å; R594-E607 IonicContact NE-OE2 3.78Å; R594-E607 PolarHBondContact NE-OE2 3.01Å; R594-E607 VanDerWaalsContact NE-OE2 3.15Å; R594-E607 IonicContact NH1-OE1 3.97Å; R594-E607 PolarHBondContact NH1-OE1 2.92Å; R594-E607 IonicContact NH1-OE2 3.59Å; R594-E607 PolarHBondContact NH1-OE2 3.48Å; R594-E607 IonicContact NH2-OE1 3.93Å; R594-E607 IonicContact NH2-OE2 3.14Å; R594-E607 WeakPolarHBondContact O-CB 3.28Å; R594-A610 HydrophobicContact CB-CB 3.95Å; R594-A610 HydrophobicContact CG-CB 4.08Å
595A84.6Confident80.9Confident13 Ų1377.6 Ų77.611%0.10738%0.378CS..Hα-helixtrans-65.6-26.9176.900000114.3G591 D592 R597 E607 A610 K611G591-A595 WeakPolarHBondContact O-CB 3.44Å; G591-A595 PolarHBondContact O-N 3.02Å; D592-A595 PolarHBondContact O-N 3.38Å; A595-R597 PolarHBondContact O-N 3.26Å; A595-E607 VanDerWaalsContact CA-O 3.32Å; A595-E607 WeakPolarHBondContact CA-O 3.21Å; A595-A610 HydrophobicContact CB-CB 4.34Å; A595-K611 HydrophobicContact CB-CD 3.78Å; A595-K611 HydrophobicContact CB-CG 3.58Å
596A78Confident80.7Confident75 Ų7576.5 Ų76.562%0.6238%0.377SS*.THydrogen-bonded Turntrans-68.9-11.4172.500000113.5D592 R594 G598D592-A596 WeakPolarHBondContact O-CB 3.49Å; D592-A596 PolarHBondContact O-N 3.15Å; R594-A596 VanDerWaalsContact C-N 3.28Å; R594-A596 PolarHBondContact O-N 3.42Å; A596-G598 PolarHBondContact O-N 2.96Å
597R74.9Confident80.5Confident127 Ų12773 Ų7348%0.47936%0.359SS..  trans-75.7119.3175.5-66.6-178.6179.8-173-4.2109.7R594 A595 E607R594-R597 VanDerWaalsContact O-CB 3.27Å; R594-R597 WeakPolarHBondContact O-CB 3.41Å; R594-R597 PolarHBondContact O-N 2.92Å; A595-R597 PolarHBondContact O-N 3.26Å; R597-E607 PolarHBondContact O-N 2.76Å
598G73.1Confident80.3Confident21 Ų2171 Ų7122%0.21635%0.349CS..  trans-67.4-167.6176.200000113.5A596A596-G598 PolarHBondContact O-N 2.96Å
599Q70.7Confident80.5Confident84 Ų8474.8 Ų74.839%0.39336%0.363SS..  trans-60.5142.1-173.6-59.4178.3-49.100112.6R43 H603 Q604R43-Q599 WeakPolarHBondContact CD-O 3.49Å; R43-Q599 PolarHBondContact NE-O 3.27Å; Q599-H603 CarbonylContact C-O 3.51Å; Q599-H603 WeakPolarHBondContact CA-O 3.44Å; Q599-Q604 WeakPolarHBondContact CG-O 3.29Å; Q599-Q604 PolarHBondContact NE2-O 2.93Å
600S63.1Low80.7Confident27 Ų2772.9 Ų72.919%0.18936%0.355CS..  trans-130.6169.5169.870.50000112.7R43 L602 H603 Q604R43-S600 VanDerWaalsContact CZ-CA 3.41Å; R43-S600 VanDerWaalsContact NH2-CA 3.32Å; R43-S600 VanDerWaalsContact NH2-CB 3.31Å; S600-L602 PolarHBondContact O-N 3.42Å; S600-H603 PolarHBondContact N-O 3.1Å; S600-H603 CarbonylContact O-C 3.6Å; S600-H603 PolarHBondContact O-N 2.8Å; S600-H603 WeakPolarHBondContact OG-CB 3.21Å; S600-H603 PolarHBondContact OG-N 2.78Å; S600-Q604 WeakPolarHBondContact O-CA 3.29Å; S600-Q604 PolarHBondContact O-N 2.77Å
601E61.1Low80.8Confident173 Ų17369.4 Ų69.481%0.80834%0.339SS*.SBendtrans-59.9-38175-71.6-172.3167.300111.2
602L73.7Confident81Confident144 Ų14469.3 Ų69.375%0.75434%0.339SS*.SBendtrans-74.4-43.2174.7-173.767.1000112.1S600S600-L602 PolarHBondContact O-N 3.42Å
603H80.5Confident81.4Confident66 Ų6672 Ų7231%0.30635%0.348SS..  trans-114.377.5-177.3-52.6125.7000110.7Q599 S600 F605 G606 E607Q599-H603 CarbonylContact C-O 3.51Å; Q599-H603 WeakPolarHBondContact CA-O 3.44Å; S600-H603 PolarHBondContact N-O 3.1Å; S600-H603 CarbonylContact O-C 3.6Å; S600-H603 PolarHBondContact O-N 2.8Å; S600-H603 WeakPolarHBondContact OG-CB 3.21Å; S600-H603 PolarHBondContact OG-N 2.78Å; H603-F605 PolarHBondContact O-N 3.12Å; H603-F605 VanDerWaalsContact O-N 3.15Å; H603-G606 PolarHBondContact O-N 2.9Å; H603-E607 HydrophobicContact CB-CG 3.99Å; H603-E607 IonicContact CE1-OE1 2.78Å; H603-E607 PolarHBondContact CE1-OE1 3.34Å; H603-E607 VanDerWaalsContact CE1-OE1 3.32Å; H603-E607 IonicContact CG-OE1 3.92Å; H603-E607 IonicContact ND1-OE1 3.06Å; H603-E607 PolarHBondContact ND1-OE1 2.57Å
604Q78.8Confident81.9Confident135 Ų13564.2 Ų64.263%0.63132%0.319SS*.THydrogen-bonded Turntrans-63.6-21.6-172.1-64.8-176.7-15.400114.3Q599 S600Q599-Q604 WeakPolarHBondContact CG-O 3.29Å; Q599-Q604 PolarHBondContact NE2-O 2.93Å; S600-Q604 WeakPolarHBondContact O-CA 3.29Å; S600-Q604 PolarHBondContact O-N 2.77Å
605F81.7Confident82.3Confident69 Ų6960.6 Ų60.630%0.30331%0.306SS..THydrogen-bonded Turntrans-100.78.7175.2-65-70.5000113.5H603 L787 M793 Y829 Y831H603-F605 PolarHBondContact O-N 3.12Å; H603-F605 VanDerWaalsContact O-N 3.15Å; F605-L787 HydrophobicContact CB-CD1 3.87Å; F605-L787 HydrophobicContact CD1-CD1 4.15Å; F605-L787 HydrophobicContact CG-CD1 4.17Å; F605-M793 HydrophobicContact CE1-SD 4.19Å; F605-M793 HydrophobicContact CZ-SD 4.1Å; F605-Y829 HydrophobicContact CD1-CD1 4.27Å; F605-Y829 HydrophobicContact CD1-CD2 4.47Å; F605-Y829 HydrophobicContact CD1-CG 4.2Å; F605-Y829 PolarHBondContact O-OH 3.36Å; F605-Y831 AromaticContact CE1-CE2 3.97Å; F605-Y831 HydrophobicContact CE1-CE2 3.97Å; F605-Y831 HydrophobicContact CZ-CE2 4.38Å
606G84.1Confident82.8Confident16 Ų1661.3 Ų61.317%0.16531%0.309CS..  trans78.4-170.5-171.100000112H603H603-G606 PolarHBondContact O-N 2.9Å
607E86.7Confident83.5Confident22 Ų2259.5 Ų59.510%0.10329%0.288CS..SBendtrans-115.123.6-173.1-66.9-179.3-168.700113.2R594 A595 R597 H603 R609 A610R594-E607 WeakPolarHBondContact CD-OE2 3.5Å; R594-E607 WeakPolarHBondContact CG-OE2 3.41Å; R594-E607 IonicContact CZ-OE1 2.64Å; R594-E607 VanDerWaalsContact CZ-OE1 3.29Å; R594-E607 IonicContact CZ-OE2 2.75Å; R594-E607 IonicContact NE-OE2 3.78Å; R594-E607 PolarHBondContact NE-OE2 3.01Å; R594-E607 VanDerWaalsContact NE-OE2 3.15Å; R594-E607 IonicContact NH1-OE1 3.97Å; R594-E607 PolarHBondContact NH1-OE1 2.92Å; R594-E607 IonicContact NH1-OE2 3.59Å; R594-E607 PolarHBondContact NH1-OE2 3.48Å; R594-E607 IonicContact NH2-OE1 3.93Å; R594-E607 IonicContact NH2-OE2 3.14Å; R594-E607 WeakPolarHBondContact O-CB 3.28Å; A595-E607 VanDerWaalsContact CA-O 3.32Å; A595-E607 WeakPolarHBondContact CA-O 3.21Å; R597-E607 PolarHBondContact O-N 2.76Å; H603-E607 HydrophobicContact CB-CG 3.99Å; H603-E607 IonicContact CE1-OE1 2.78Å; H603-E607 PolarHBondContact CE1-OE1 3.34Å; H603-E607 VanDerWaalsContact CE1-OE1 3.32Å; H603-E607 IonicContact CG-OE1 3.92Å; H603-E607 IonicContact ND1-OE1 3.06Å; H603-E607 PolarHBondContact ND1-OE1 2.57Å; E607-R609 PolarHBondContact O-N 3.37Å; E607-A610 WeakPolarHBondContact O-CB 3.42Å; E607-A610 PolarHBondContact O-N 3.13Å
608G87.3Confident84.4Confident6 Ų653.5 Ų53.56%0.06227%0.266CS..THydrogen-bonded Turntrans-49.1-36.1-179.400000114.3A610 K611 L787G608-A610 PolarHBondContact O-N 3.45Å; G608-A610 VanDerWaalsContact O-N 3.15Å; G608-K611 PolarHBondContact O-N 2.76Å; G608-L787 CarbonylContact C-O 3.54Å
609R90.9Very high85.4Confident97 Ų9752.5 Ų52.537%0.36626%0.255SS..THydrogen-bonded Turntrans-66-14.2178.5-68.3-167.6173.9-164.9-3.9114E607 K611 Y612 F613 I754 L787E607-R609 PolarHBondContact O-N 3.37Å; R609-K611 PolarHBondContact O-N 2.82Å; R609-Y612 PolarHBondContact O-N 3.5Å; R609-Y612 VanDerWaalsContact O-N 3.11Å; R609-F613 PolarHBondContact O-N 3.43Å; R609-F613 VanDerWaalsContact O-N 3.08Å; R609-I754 PolarHBondContact NH1-O 2.82Å; R609-L787 WeakPolarHBondContact CA-O 3.35Å; R609-L787 WeakPolarHBondContact CG-O 3.3Å; R609-L787 PolarHBondContact N-O 3.48Å
610A91.8Very high86.4Confident14 Ų1451.3 Ų51.312%0.11625%0.254CS..Hα-helixtrans-57.1-35.317600000111.5R594 A595 E607 G608 Y612 F613 F614R594-A610 HydrophobicContact CB-CB 3.95Å; R594-A610 HydrophobicContact CG-CB 4.08Å; A595-A610 HydrophobicContact CB-CB 4.34Å; E607-A610 WeakPolarHBondContact O-CB 3.42Å; E607-A610 PolarHBondContact O-N 3.13Å; G608-A610 PolarHBondContact O-N 3.45Å; G608-A610 VanDerWaalsContact O-N 3.15Å; A610-Y612 PolarHBondContact O-N 2.7Å; A610-F613 PolarHBondContact O-N 3.36Å; A610-F614 HydrophobicContact CB-CD2 4.41Å; A610-F614 VanDerWaalsContact O-CD2 3.23Å; A610-F614 WeakPolarHBondContact O-CD2 3.44Å; A610-F614 PolarHBondContact O-N 3.07Å
611K91.5Very high87.7Confident42 Ų4256.1 Ų56.118%0.18328%0.275CS..Hα-helixtrans-55-49.8174-78.4165.3166.1-84.50112.1D592 A595 G608 R609 S615 E694 P789D592-K611 VanDerWaalsContact OD1-CE 3.27Å; D592-K611 WeakPolarHBondContact OD1-CE 3.45Å; D592-K611 IonicContact OD1-NZ 3.83Å; D592-K611 PolarHBondContact OD1-NZ 3.29Å; A595-K611 HydrophobicContact CB-CD 3.78Å; A595-K611 HydrophobicContact CB-CG 3.58Å; G608-K611 PolarHBondContact O-N 2.76Å; R609-K611 PolarHBondContact O-N 2.82Å; K611-S615 VanDerWaalsContact O-CB 3.24Å; K611-S615 WeakPolarHBondContact O-CB 3.42Å; K611-S615 PolarHBondContact O-N 3.33Å; K611-S615 PolarHBondContact O-OG 3.48Å; K611-E694 WeakPolarHBondContact CB-OE1 3.48Å; K611-E694 WeakPolarHBondContact CD-OE1 3.36Å; K611-E694 WeakPolarHBondContact CE-OE1 3.25Å; K611-E694 WeakPolarHBondContact CG-OE1 3.5Å; K611-E694 IonicContact NZ-OE1 2.97Å; K611-E694 PolarHBondContact NZ-OE1 3.26Å; K611-P789 HydrophobicContact CD-CG 3.92Å
612Y93.5Very high89.1Confident0 Ų049.8 Ų49.80%025%0.246CC..Hα-helixtrans-66.1-39.6179.1-56.4-35.3000112.4R609 A610 S615 T616 R691 L753R609-Y612 PolarHBondContact O-N 3.5Å; R609-Y612 VanDerWaalsContact O-N 3.11Å; A610-Y612 PolarHBondContact O-N 2.7Å; Y612-S615 PolarHBondContact O-N 3.35Å; Y612-T616 PolarHBondContact O-N 2.82Å; Y612-T616 PolarHBondContact O-OG1 3.18Å; Y612-R691 VanDerWaalsContact CE1-O 3.22Å; Y612-R691 WeakPolarHBondContact CE1-O 3.36Å; Y612-R691 PolarHBondContact OH-O 3.5Å; Y612-L753 HydrophobicContact CD1-CB 3.9Å; Y612-L753 HydrophobicContact CD1-CD1 3.99Å; Y612-L753 HydrophobicContact CD2-CB 4.08Å; Y612-L753 WeakPolarHBondContact CD2-O 3.38Å; Y612-L753 HydrophobicContact CE1-CB 4.08Å; Y612-L753 HydrophobicContact CE1-CD1 3.84Å; Y612-L753 HydrophobicContact CE1-CG 4.39Å; Y612-L753 HydrophobicContact CE2-CB 4.24Å; Y612-L753 HydrophobicContact CG-CB 3.91Å
613F94.7Very high89.9Confident113 Ų11343 Ų4350%0.49621%0.211SC..Hα-helixtrans-60.1-53.3176.1177.1-101.3000112.2R609 A610 S615 T616 I617R609-F613 PolarHBondContact O-N 3.43Å; R609-F613 VanDerWaalsContact O-N 3.08Å; A610-F613 PolarHBondContact O-N 3.36Å; F613-S615 VanDerWaalsContact C-N 3.33Å; F613-S615 PolarHBondContact O-N 3.12Å; F613-T616 WeakPolarHBondContact O-CB 3.27Å; F613-T616 PolarHBondContact O-N 3.11Å; F613-I617 HydrophobicContact CD1-CD1 3.97Å; F613-I617 HydrophobicContact CE1-CD1 3.38Å; F613-I617 HydrophobicContact CE1-CG1 4.45Å; F613-I617 HydrophobicContact CE2-CD1 4.41Å; F613-I617 HydrophobicContact CZ-CD1 3.64Å; F613-I617 HydrophobicContact CZ-CG1 4.47Å; F613-I617 PolarHBondContact O-N 3.46Å; F613-I617 VanDerWaalsContact O-N 3.1Å
614F94.1Very high90.6Very high28 Ų2843.9 Ų43.912%0.12321%0.214CC..Hα-helixtrans-67.2-34.4179-77.3-74.9000112.3L587 F590 G591 A610 T616 I617 V618L587-F614 HydrophobicContact CD2-CD1 4.08Å; L587-F614 HydrophobicContact CD2-CE1 4.33Å; F590-F614 HydrophobicContact CD1-CD1 4.48Å; F590-F614 AromaticContact CD1-CE1 3.71Å; F590-F614 HydrophobicContact CD1-CE1 3.71Å; F590-F614 AromaticContact CD1-CE2 3.84Å; F590-F614 HydrophobicContact CD1-CE2 3.84Å; F590-F614 AromaticContact CD1-CZ 3.36Å; F590-F614 HydrophobicContact CD1-CZ 3.36Å; F590-F614 HydrophobicContact CE1-CE1 4.2Å; F590-F614 HydrophobicContact CE1-CE2 4.15Å; F590-F614 AromaticContact CE1-CZ 3.55Å; F590-F614 HydrophobicContact CE1-CZ 3.55Å; G591-F614 VanDerWaalsContact CA-CD2 3.47Å; A610-F614 HydrophobicContact CB-CD2 4.41Å; A610-F614 VanDerWaalsContact O-CD2 3.23Å; A610-F614 WeakPolarHBondContact O-CD2 3.44Å; A610-F614 PolarHBondContact O-N 3.07Å; F614-T616 VanDerWaalsContact C-N 3.28Å; F614-T616 PolarHBondContact O-N 3.12Å; F614-I617 HydrophobicContact CD1-CD1 4.25Å; F614-I617 HydrophobicContact CE1-CD1 4.45Å; F614-I617 PolarHBondContact O-N 3.44Å; F614-V618 WeakPolarHBondContact O-CG2 3.36Å; F614-V618 PolarHBondContact O-N 3.36Å
615S93.4Very high91.3Very high0 Ų038.8 Ų38.80%020%0.197CC..Hα-helixtrans-60.3-38.3172.3-62.20000112.1K611 Y612 F613 V618 A619 S693 F750K611-S615 VanDerWaalsContact O-CB 3.24Å; K611-S615 WeakPolarHBondContact O-CB 3.42Å; K611-S615 PolarHBondContact O-N 3.33Å; K611-S615 PolarHBondContact O-OG 3.48Å; Y612-S615 PolarHBondContact O-N 3.35Å; F613-S615 VanDerWaalsContact C-N 3.33Å; F613-S615 PolarHBondContact O-N 3.12Å; S615-V618 PolarHBondContact O-N 3.22Å; S615-A619 PolarHBondContact O-N 2.97Å; S615-S693 WeakPolarHBondContact OG-CB 3.33Å; S615-S693 PolarHBondContact OG-OG 3.05Å; S615-F750 WeakPolarHBondContact O-CD2 3.46Å; S615-F750 WeakPolarHBondContact O-CE2 3.13Å
616T94.1Very high91.8Very high28 Ų2835.6 Ų35.617%0.17218%0.184CC..Hα-helixtrans-70.2-38.2176.6-58.30000112.2Y612 F613 F614 V618 A619 T620 F750 I754Y612-T616 PolarHBondContact O-N 2.82Å; Y612-T616 PolarHBondContact O-OG1 3.18Å; F613-T616 WeakPolarHBondContact O-CB 3.27Å; F613-T616 PolarHBondContact O-N 3.11Å; F614-T616 VanDerWaalsContact C-N 3.28Å; F614-T616 PolarHBondContact O-N 3.12Å; T616-V618 VanDerWaalsContact C-N 3.34Å; T616-A619 PolarHBondContact O-N 3.14Å; T616-T620 HydrophobicContact CG2-CG2 4.08Å; T616-T620 WeakPolarHBondContact O-CB 3.47Å; T616-T620 WeakPolarHBondContact O-CG2 3.15Å; T616-T620 PolarHBondContact O-N 3.17Å; T616-T620 PolarHBondContact O-OG1 2.87Å; T616-F750 VanDerWaalsContact OG1-CB 3.23Å; T616-F750 WeakPolarHBondContact OG1-CB 3.49Å; T616-I754 HydrophobicContact CG2-CD1 4.16Å; T616-I754 WeakPolarHBondContact OG1-CD1 3.43Å
617I94.3Very high92.2Very high38 Ų3834.9 Ų34.920%0.19518%0.177CC..Hα-helixtrans-60.3-46.9172.9-69.6173.6000110.2L587 F613 F614 A619 T620 M621L587-I617 HydrophobicContact CD1-CG2 4.25Å; F613-I617 HydrophobicContact CD1-CD1 3.97Å; F613-I617 HydrophobicContact CE1-CD1 3.38Å; F613-I617 HydrophobicContact CE1-CG1 4.45Å; F613-I617 HydrophobicContact CE2-CD1 4.41Å; F613-I617 HydrophobicContact CZ-CD1 3.64Å; F613-I617 HydrophobicContact CZ-CG1 4.47Å; F613-I617 PolarHBondContact O-N 3.46Å; F613-I617 VanDerWaalsContact O-N 3.1Å; F614-I617 HydrophobicContact CD1-CD1 4.25Å; F614-I617 HydrophobicContact CE1-CD1 4.45Å; F614-I617 PolarHBondContact O-N 3.44Å; I617-A619 PolarHBondContact O-N 3.14Å; I617-T620 PolarHBondContact O-N 3.25Å; I617-M621 HydrophobicContact CG2-CG 4.48Å; I617-M621 HydrophobicContact CG2-SD 3.96Å; I617-M621 VanDerWaalsContact O-CB 3.29Å; I617-M621 WeakPolarHBondContact O-CB 3.26Å; I617-M621 PolarHBondContact O-N 3.28Å
618V93.7Very high92.6Very high0 Ų035.7 Ų35.70%019%0.187CC..Iπ-helixtrans-56.1-51.2176.5164.10000110.8N584 L587 L588 F614 S615 T616 L622 F623 I697N584-V618 HydrophobicContact CB-CG1 3.82Å; N584-V618 HydrophobicContact CB-CG2 4.38Å; N584-V618 WeakPolarHBondContact OD1-CG1 3.44Å; L587-V618 HydrophobicContact CB-CG2 3.91Å; L587-V618 HydrophobicContact CD1-CG2 4.07Å; L588-V618 HydrophobicContact CD2-CG2 4.48Å; F614-V618 WeakPolarHBondContact O-CG2 3.36Å; F614-V618 PolarHBondContact O-N 3.36Å; S615-V618 PolarHBondContact O-N 3.22Å; T616-V618 VanDerWaalsContact C-N 3.34Å; V618-L622 HydrophobicContact CG2-CD1 4.45Å; V618-L622 WeakPolarHBondContact O-CB 3.2Å; V618-L622 PolarHBondContact O-N 3.12Å; V618-L622 VanDerWaalsContact O-N 3.13Å; V618-F623 HydrophobicContact CG1-CD2 3.84Å; V618-F623 HydrophobicContact CG1-CE2 3.71Å; V618-F623 PolarHBondContact O-N 2.81Å; V618-I697 HydrophobicContact CB-CD1 4.35Å; V618-I697 HydrophobicContact CG1-CD1 4.08Å; V618-I697 HydrophobicContact CG1-CG2 4.21Å
619A92.6Very high93Very high0 Ų040.6 Ų40.60%021%0.211CC..Iπ-helixtrans-63.5-47.2179.900000113.2S615 T616 I617 F623 F624 S743 L746 F750S615-A619 PolarHBondContact O-N 2.97Å; T616-A619 PolarHBondContact O-N 3.14Å; I617-A619 PolarHBondContact O-N 3.14Å; A619-F623 WeakPolarHBondContact O-CB 3.4Å; A619-F624 PolarHBondContact O-N 3Å; A619-S743 WeakPolarHBondContact O-CB 3.45Å; A619-S743 PolarHBondContact O-OG 3.05Å; A619-L746 HydrophobicContact CB-CB 3.76Å; A619-F750 HydrophobicContact CB-CD2 3.9Å; A619-F750 HydrophobicContact CB-CE2 3.93Å
620T92.2Very high93Very high59 Ų5936 Ų3636%0.36219%0.194SC..Iπ-helixtrans-85.2-26.2-170.456.90000114.4T616 I617 F624 A747T616-T620 HydrophobicContact CG2-CG2 4.08Å; T616-T620 WeakPolarHBondContact O-CB 3.47Å; T616-T620 WeakPolarHBondContact O-CG2 3.15Å; T616-T620 PolarHBondContact O-N 3.17Å; T616-T620 PolarHBondContact O-OG1 2.87Å; I617-T620 PolarHBondContact O-N 3.25Å; T620-F624 WeakPolarHBondContact O-CB 3.46Å; T620-A747 HydrophobicContact CG2-CB 3.8Å
621M91.7Very high93.1Very high128 Ų12837.2 Ų37.263%0.63120%0.198SC*.Iπ-helixtrans-107.3-48.5-177.1-61-174.3172.600112I617 G625I617-M621 HydrophobicContact CG2-CG 4.48Å; I617-M621 HydrophobicContact CG2-SD 3.96Å; I617-M621 VanDerWaalsContact O-CB 3.29Å; I617-M621 WeakPolarHBondContact O-CB 3.26Å; I617-M621 PolarHBondContact O-N 3.28Å; M621-G625 WeakPolarHBondContact O-CA 3.48Å; M621-G625 PolarHBondContact O-N 2.68Å
622L90.1Very high93.2Very high40 Ų4043.8 Ų43.821%0.20922%0.222CC..Iπ-helixtrans-83.2-52.4-173.6-66.8-176.7000112.5V580 N584 L587 V618 G625 G626V580-L622 HydrophobicContact CG1-CB 3.99Å; N584-L622 WeakPolarHBondContact OD1-CB 3.26Å; N584-L622 WeakPolarHBondContact OD1-CD1 3.31Å; L587-L622 HydrophobicContact CD1-CD1 3.55Å; L587-L622 HydrophobicContact CD1-CG 4.4Å; V618-L622 HydrophobicContact CG2-CD1 4.45Å; V618-L622 WeakPolarHBondContact O-CB 3.2Å; V618-L622 PolarHBondContact O-N 3.12Å; V618-L622 VanDerWaalsContact O-N 3.13Å; L622-G625 PolarHBondContact O-N 3.27Å; L622-G626 PolarHBondContact O-N 3.42Å
623F91.2Very high93Very high1 Ų145.9 Ų45.90%0.00423%0.232CC..Iπ-helixtrans-63.1-46.4176.2-84.8-109.8000111.6N584 V618 A619 G627 I697 E701 L739 L746N584-F623 WeakPolarHBondContact ND2-CE2 3.44Å; V618-F623 HydrophobicContact CG1-CD2 3.84Å; V618-F623 HydrophobicContact CG1-CE2 3.71Å; V618-F623 PolarHBondContact O-N 2.81Å; A619-F623 WeakPolarHBondContact O-CB 3.4Å; F623-G627 PolarHBondContact O-N 3.39Å; F623-I697 HydrophobicContact CE2-CG2 4.11Å; F623-I697 HydrophobicContact CZ-CG2 4.25Å; F623-E701 HydrophobicContact CE1-CB 4.49Å; F623-E701 HydrophobicContact CZ-CB 3.93Å; F623-E701 HydrophobicContact CZ-CG 4.06Å; F623-L739 HydrophobicContact CD1-CD2 4.48Å; F623-L746 HydrophobicContact CD1-CD1 4.46Å; F623-L746 HydrophobicContact CE1-CD1 4.31Å; F623-L746 HydrophobicContact CZ-CD1 4.44Å
624F94.1Very high92.9Very high86 Ų8640.6 Ų40.638%0.37721%0.209SC..Hα-helixtrans-63.5-47.3177.8-167-91.5000111.6A619 T620 G627 A628 M740 S743A619-F624 PolarHBondContact O-N 3Å; T620-F624 WeakPolarHBondContact O-CB 3.46Å; F624-G627 PolarHBondContact O-N 2.91Å; F624-A628 VanDerWaalsContact O-CB 3.3Å; F624-A628 WeakPolarHBondContact O-CB 3.44Å; F624-A628 PolarHBondContact O-N 3.36Å; F624-M740 HydrophobicContact CD2-CE 4.24Å; F624-M740 HydrophobicContact CE1-CE 4.36Å; F624-M740 HydrophobicContact CE2-CE 3.47Å; F624-M740 VanDerWaalsContact CE2-CE 3.47Å; F624-M740 HydrophobicContact CZ-CE 3.54Å; F624-S743 WeakPolarHBondContact CB-OG 3.47Å
625G93.5Very high92.7Very high27 Ų2741.7 Ų41.728%0.27822%0.218SC..Hα-helixtrans-63-44.1179.700000112.3M621 L622 A628 L629M621-G625 WeakPolarHBondContact O-CA 3.48Å; M621-G625 PolarHBondContact O-N 2.68Å; L622-G625 PolarHBondContact O-N 3.27Å; G625-A628 PolarHBondContact O-N 2.97Å; G625-L629 WeakPolarHBondContact O-CB 3.29Å; G625-L629 VanDerWaalsContact O-CG 3.29Å; G625-L629 WeakPolarHBondContact O-CG 3.34Å; G625-L629 PolarHBondContact O-N 2.79Å
626G92Very high92.5Very high3 Ų346.2 Ų46.23%0.03124%0.239CC..Hα-helixtrans-60.2-48.2174.500000112.3L622 A628 L629 G630L622-G626 PolarHBondContact O-N 3.42Å; G626-A628 PolarHBondContact O-N 3.04Å; G626-L629 PolarHBondContact O-N 3.47Å; G626-G630 PolarHBondContact O-N 2.85Å
627G93.5Very high92.2Very high0 Ų046 Ų460%024%0.236CC..Hα-helixtrans-60.6-44.3175.900000112.9F623 F624 G630 I631F623-G627 PolarHBondContact O-N 3.39Å; F624-G627 PolarHBondContact O-N 2.91Å; G627-G630 PolarHBondContact O-N 3.14Å; G627-I631 WeakPolarHBondContact O-CG1 3.38Å; G627-I631 PolarHBondContact O-N 2.79Å
628A95.1Very high91.9Very high39 Ų3946.6 Ų46.632%0.32224%0.239SC..Hα-helixtrans-65-42.6179.300000112.8F624 G625 G626 G630 I631 W632F624-A628 VanDerWaalsContact O-CB 3.3Å; F624-A628 WeakPolarHBondContact O-CB 3.44Å; F624-A628 PolarHBondContact O-N 3.36Å; G625-A628 PolarHBondContact O-N 2.97Å; G626-A628 PolarHBondContact O-N 3.04Å; A628-G630 VanDerWaalsContact C-N 3.34Å; A628-I631 PolarHBondContact O-N 3.01Å; A628-W632 PolarHBondContact O-N 3.46Å
629L94.1Very high91.5Very high109 Ų10954.2 Ų54.257%0.57127%0.272SS*.Hα-helixtrans-63.4-41.2173.9-71173.9000111.3I576 G625 G626 W632 E633I576-L629 HydrophobicContact CD1-CB 4.31Å; I576-L629 HydrophobicContact CG2-CB 4.5Å; G625-L629 WeakPolarHBondContact O-CB 3.29Å; G625-L629 VanDerWaalsContact O-CG 3.29Å; G625-L629 WeakPolarHBondContact O-CG 3.34Å; G625-L629 PolarHBondContact O-N 2.79Å; G626-L629 PolarHBondContact O-N 3.47Å; L629-W632 PolarHBondContact O-N 2.88Å; L629-E633 PolarHBondContact O-N 3.28Å
630G92.1Very high91Very high1 Ų160.3 Ų60.31%0.0130%0.301CS..Hα-helixtrans-60.1-43.2174.500000113.2N573 G626 G627 A628 A634N573-G630 VanDerWaalsContact OD1-CA 3.25Å; N573-G630 WeakPolarHBondContact OD1-CA 3.38Å; G626-G630 PolarHBondContact O-N 2.85Å; G627-G630 PolarHBondContact O-N 3.14Å; A628-G630 VanDerWaalsContact C-N 3.34Å; G630-A634 VanDerWaalsContact O-CB 3.27Å; G630-A634 WeakPolarHBondContact O-CB 3.46Å; G630-A634 PolarHBondContact O-N 3.09Å
631I94.4Very high89.7Confident39 Ų3960.9 Ų60.920%0.231%0.306CS..Hα-helixtrans-65-45.9174.5-68.9-178.7000111G627 A628 E633 A634 V635 L733 M737 M740G627-I631 WeakPolarHBondContact O-CG1 3.38Å; G627-I631 PolarHBondContact O-N 2.79Å; A628-I631 PolarHBondContact O-N 3.01Å; I631-E633 PolarHBondContact O-N 3.12Å; I631-A634 PolarHBondContact O-N 2.9Å; I631-V635 HydrophobicContact CG2-CG2 4.01Å; I631-V635 WeakPolarHBondContact O-CB 3.22Å; I631-V635 VanDerWaalsContact O-CG2 3.23Å; I631-V635 WeakPolarHBondContact O-CG2 3.41Å; I631-V635 PolarHBondContact O-N 2.93Å; I631-L733 HydrophobicContact CB-CD1 4.36Å; I631-L733 HydrophobicContact CG1-CD1 4.23Å; I631-L733 HydrophobicContact CG2-CD1 3.85Å; I631-M737 HydrophobicContact CD1-CG 3.76Å; I631-M737 HydrophobicContact CG1-CG 4.34Å; I631-M740 HydrophobicContact CD1-CG 4.35Å; I631-M740 HydrophobicContact CD1-SD 3.33Å; I631-M740 WeakPolarHBondContact CD1-SD 3.39Å; I631-M740 HydrophobicContact CG1-SD 4.44Å
632W93.6Very high88.1Confident181 Ų18160.4 Ų60.469%0.68632%0.315SS*.Hα-helixtrans-54.8-52.7179.9178.4-82.3000111.3A628 L629 A634 V635 E636A628-W632 PolarHBondContact O-N 3.46Å; L629-W632 PolarHBondContact O-N 2.88Å; W632-A634 PolarHBondContact O-N 3.26Å; W632-V635 PolarHBondContact O-N 2.89Å; W632-E636 PolarHBondContact NE1-OE2 3.2Å; W632-E636 PolarHBondContact O-N 2.95Å
633E89Confident86.9Confident43 Ų4359.6 Ų59.620%0.20131%0.31CS..Hα-helixtrans-62.7-42.7179.7-179.168.1-166.200112.2M572 L629 I631 E636 K637M572-E633 HydrophobicContact CG-CG 3.95Å; L629-E633 PolarHBondContact O-N 3.28Å; I631-E633 PolarHBondContact O-N 3.12Å; E633-E636 PolarHBondContact O-N 2.64Å; E633-K637 PolarHBondContact O-N 3.31Å; E633-K637 VanDerWaalsContact O-N 3.07Å; E633-K637 WeakPolarHBondContact OE1-CE 3.33Å; E633-K637 IonicContact OE1-NZ 2.59Å; E633-K637 PolarHBondContact OE1-NZ 3.27Å
634A91.1Very high85.9Confident2 Ų267.4 Ų67.42%0.01735%0.346CS..Hα-helixtrans-62.5-45.4177.700000111.3G630 I631 W632 E636 K637 L638 L733G630-A634 VanDerWaalsContact O-CB 3.27Å; G630-A634 WeakPolarHBondContact O-CB 3.46Å; G630-A634 PolarHBondContact O-N 3.09Å; I631-A634 PolarHBondContact O-N 2.9Å; W632-A634 PolarHBondContact O-N 3.26Å; A634-E636 PolarHBondContact O-N 3.2Å; A634-K637 PolarHBondContact O-N 3.24Å; A634-L638 WeakPolarHBondContact O-CD1 3.4Å; A634-L638 PolarHBondContact O-N 2.95Å; A634-L733 HydrophobicContact CB-CB 3.91Å; A634-L733 HydrophobicContact CB-CD1 4.45Å
635V91.8Very high85.1Confident52 Ų5264.4 Ų64.432%0.31534%0.335SS..Hα-helixtrans-62.5-43178.1170.80000111.3I631 W632 K637 L638 F639 L733I631-V635 HydrophobicContact CG2-CG2 4.01Å; I631-V635 WeakPolarHBondContact O-CB 3.22Å; I631-V635 VanDerWaalsContact O-CG2 3.23Å; I631-V635 WeakPolarHBondContact O-CG2 3.41Å; I631-V635 PolarHBondContact O-N 2.93Å; W632-V635 PolarHBondContact O-N 2.89Å; V635-K637 VanDerWaalsContact C-N 3.32Å; V635-K637 PolarHBondContact O-N 3.31Å; V635-L638 WeakPolarHBondContact O-CB 3.33Å; V635-L638 PolarHBondContact O-N 3.35Å; V635-F639 HydrophobicContact CG1-CD2 3.58Å; V635-F639 HydrophobicContact CG1-CE2 3.47Å; V635-F639 VanDerWaalsContact CG1-CE2 3.47Å; V635-F639 VanDerWaalsContact O-CD2 3.25Å; V635-F639 WeakPolarHBondContact O-CD2 3.46Å; V635-F639 PolarHBondContact O-N 2.9Å; V635-L733 HydrophobicContact CG2-CD1 3.95Å
636E88.9Confident84.4Confident95 Ų9566.3 Ų66.344%0.44434%0.341SS..Hα-helixtrans-58.4-44.1176-172169.2168.800111.5W632 E633 A634 F639 H640W632-E636 PolarHBondContact NE1-OE2 3.2Å; W632-E636 PolarHBondContact O-N 2.95Å; E633-E636 PolarHBondContact O-N 2.64Å; A634-E636 PolarHBondContact O-N 3.2Å; E636-F639 PolarHBondContact O-N 3.36Å; E636-H640 PolarHBondContact O-N 3.06Å
637K86.2Confident84Confident24 Ų2470.6 Ų70.610%0.10436%0.363CS..Hα-helixtrans-70.8-27176-75.9-178178.4167.30114.4G567 A569 E633 A634 V635 H640 A729G567-K637 PolarHBondContact O-NZ 3.04Å; A569-K637 HydrophobicContact CB-CD 3.44Å; A569-K637 VanDerWaalsContact CB-CD 3.44Å; E633-K637 PolarHBondContact O-N 3.31Å; E633-K637 VanDerWaalsContact O-N 3.07Å; E633-K637 WeakPolarHBondContact OE1-CE 3.33Å; E633-K637 IonicContact OE1-NZ 2.59Å; E633-K637 PolarHBondContact OE1-NZ 3.27Å; A634-K637 PolarHBondContact O-N 3.24Å; V635-K637 VanDerWaalsContact C-N 3.32Å; V635-K637 PolarHBondContact O-N 3.31Å; K637-H640 CarbonylContact O-C 3.5Å; K637-A729 HydrophobicContact CB-CB 4.11Å
638L88.2Confident83.5Confident50 Ų5072.2 Ų72.226%0.26237%0.374SS..Hα-helixtrans-69.7-38.4171.5-96.2110.2000111.8A634 V635 A729 L733A634-L638 WeakPolarHBondContact O-CD1 3.4Å; A634-L638 PolarHBondContact O-N 2.95Å; V635-L638 WeakPolarHBondContact O-CB 3.33Å; V635-L638 PolarHBondContact O-N 3.35Å; L638-A729 HydrophobicContact CD1-CB 3.76Å; L638-A729 HydrophobicContact CG-CB 4.1Å; L638-L733 HydrophobicContact CD1-CB 4.48Å; L638-L733 HydrophobicContact CD1-CD2 4.49Å
639F87Confident83.3Confident159 Ų15976.6 Ų76.670%0.69739%0.392SS*.Hα-helixtrans-82.7-25.5178.9-75-64.4000113.7V635 E636 P641V635-F639 HydrophobicContact CG1-CD2 3.58Å; V635-F639 HydrophobicContact CG1-CE2 3.47Å; V635-F639 VanDerWaalsContact CG1-CE2 3.47Å; V635-F639 VanDerWaalsContact O-CD2 3.25Å; V635-F639 WeakPolarHBondContact O-CD2 3.46Å; V635-F639 PolarHBondContact O-N 2.9Å; E636-F639 PolarHBondContact O-N 3.36Å; F639-P641 VanDerWaalsContact C-CD 3.45Å; F639-P641 WeakPolarHBondContact O-CD 3.21Å
640H80.5Confident83Confident128 Ų12875.1 Ų75.159%0.59338%0.383SS*.SBendtrans-119.275.6175-60.7-55.4000111.4E636 K637 S642E636-H640 PolarHBondContact O-N 3.06Å; K637-H640 CarbonylContact O-C 3.5Å; H640-S642 PolarHBondContact O-N 3.43Å
641P65Low82.8Confident72 Ų7275.1 Ų75.147%0.46838%0.383SS..  trans-72.525.9-170.727.2-34.1000115.9F639 H643F639-P641 VanDerWaalsContact C-CD 3.45Å; F639-P641 WeakPolarHBondContact O-CD 3.21Å; P641-H643 PolarHBondContact O-N 3.23Å
642S59.1Low82.7Confident117 Ų11775.3 Ų75.382%0.81838%0.384SS*.  trans-83.519.6-179.962.70000114.7H640H640-S642 PolarHBondContact O-N 3.43Å
643H64.4Low82.7Confident24 Ų2468.7 Ų68.711%0.11137%0.373CS..  trans-96.8117.2177.965-75.1000109.9P641 P725P641-H643 PolarHBondContact O-N 3.23Å; H643-P725 PolarHBondContact NE2-O 3.46Å; H643-P725 WeakPolarHBondContact O-CB 3.34Å; H643-P725 WeakPolarHBondContact O-CG 3.29Å
644E70.2Confident82.8Confident164 Ų16468.1 Ų68.177%0.76637%0.37SS*.  trans-91132.2166-70.8-174.3172.300108.7T646E644-T646 PolarHBondContact O-N 3.39Å; E644-T646 VanDerWaalsContact O-N 3.08Å
645V77Confident82.9Confident23 Ų2368 Ų6814%0.13937%0.37CS..  trans-75.598.1173.8179.80000108.5S566 P648 V651 T716 T719 D728S566-V645 WeakPolarHBondContact O-CA 3.47Å; V645-P648 HydrophobicContact CG1-CB 4.41Å; V645-V651 HydrophobicContact CG1-CG2 4.49Å; V645-T716 HydrophobicContact CG1-CG2 4.48Å; V645-T719 HydrophobicContact CB-CG2 4.33Å; V645-T719 HydrophobicContact CG2-CG2 3.89Å; V645-D728 HydrophobicContact CG2-CB 4.21Å
646T78.5Confident83Confident67 Ų6768.8 Ų68.841%0.41137%0.374SS..  trans-77.2137.8178.450.30000110.7L565 S566 E644L565-T646 PolarHBondContact O-OG1 3.41Å; S566-T646 VanDerWaalsContact CA-O 3.23Å; S566-T646 WeakPolarHBondContact CA-O 3.47Å; S566-T646 WeakPolarHBondContact CA-OG1 2.78Å; S566-T646 VanDerWaalsContact CB-O 3.23Å; S566-T646 WeakPolarHBondContact CB-O 3.45Å; S566-T646 PolarHBondContact O-N 2.91Å; S566-T646 VanDerWaalsContact O-N 3.07Å; S566-T646 PolarHBondContact O-OG1 3.24Å; E644-T646 PolarHBondContact O-N 3.39Å; E644-T646 VanDerWaalsContact O-N 3.08Å
647N84.9Confident83.1Confident93 Ų9369.3 Ų69.350%0.49738%0.375SS..  trans54.957.8179.9-56.6-52.6000115.1L649 I650 V651N647-L649 PolarHBondContact O-N 3.49Å; N647-L649 VanDerWaalsContact O-N 3.07Å; N647-I650 HydrophobicContact CB-CB 4.34Å; N647-I650 HydrophobicContact CB-CD1 3.86Å; N647-I650 HydrophobicContact CB-CG1 4.12Å; N647-I650 PolarHBondContact O-N 3.24Å; N647-V651 PolarHBondContact O-N 3.08Å
648P83Confident83.3Confident34 Ų3468.2 Ų68.222%0.22137%0.371CS..Hα-helixtrans-59.7-25.6-177.125.1-35.1000113.7V645 V651 L652 T716 M720V645-P648 HydrophobicContact CG1-CB 4.41Å; P648-V651 PolarHBondContact O-N 3.23Å; P648-L652 WeakPolarHBondContact O-CB 3.39Å; P648-L652 PolarHBondContact O-N 3.09Å; P648-T716 HydrophobicContact CB-CG2 4.19Å; P648-M720 HydrophobicContact CB-CB 4.45Å; P648-M720 HydrophobicContact CB-CG 4.32Å; P648-M720 HydrophobicContact CB-SD 4.04Å; P648-M720 HydrophobicContact CG-CG 4.03Å; P648-M720 HydrophobicContact CG-SD 3.87Å
649L89.5Confident83.6Confident132 Ų13268 Ų6869%0.69137%0.37SS*.Hα-helixtrans-66.8-35.3175.8-65.4179.1000113N647 G653N647-L649 PolarHBondContact O-N 3.49Å; N647-L649 VanDerWaalsContact O-N 3.07Å; L649-G653 PolarHBondContact O-N 3.31Å
650I88.3Confident83.8Confident78 Ų7866.2 Ų66.240%0.437%0.366SS..Hα-helixtrans-68.9-44.6176.6-62.5179.1000109.3N647 L652 G653 I654N647-I650 HydrophobicContact CB-CB 4.34Å; N647-I650 HydrophobicContact CB-CD1 3.86Å; N647-I650 HydrophobicContact CB-CG1 4.12Å; N647-I650 PolarHBondContact O-N 3.24Å; I650-L652 PolarHBondContact O-N 3.03Å; I650-G653 PolarHBondContact O-N 3.43Å; I650-I654 HydrophobicContact CG2-CD1 3.9Å; I650-I654 WeakPolarHBondContact O-CG1 3.12Å; I650-I654 PolarHBondContact O-N 3.45Å
651V89.1Confident84.3Confident1 Ų161.8 Ų61.81%0.00635%0.348CS..Hα-helixtrans-55.6-52.3175.1-179.40000110S566 M571 V645 N647 P648 G653 I654 L655 T716S566-V651 WeakPolarHBondContact OG-CG2 3.21Å; M571-V651 HydrophobicContact CB-CG1 4.42Å; M571-V651 HydrophobicContact CE-CB 4.28Å; M571-V651 HydrophobicContact CE-CG1 3.5Å; M571-V651 VanDerWaalsContact CE-CG1 3.5Å; V645-V651 HydrophobicContact CG1-CG2 4.49Å; N647-V651 PolarHBondContact O-N 3.08Å; P648-V651 PolarHBondContact O-N 3.23Å; V651-G653 VanDerWaalsContact C-N 3.31Å; V651-G653 PolarHBondContact O-N 3.46Å; V651-I654 PolarHBondContact O-N 3.12Å; V651-I654 VanDerWaalsContact O-N 3.17Å; V651-L655 HydrophobicContact CG1-CD1 4.03Å; V651-L655 HydrophobicContact CG1-CG 4.41Å; V651-L655 WeakPolarHBondContact O-CG 3.28Å; V651-L655 PolarHBondContact O-N 3.37Å; V651-T716 HydrophobicContact CB-CG2 4.32Å; V651-T716 HydrophobicContact CG1-CG2 3.99Å
652L92Very high85.4Confident42 Ų4258.9 Ų58.922%0.2233%0.329CS..Hα-helixtrans-60-40.5179.4-172.763.5000112.2P648 I650 L655 V656 I713 L717P648-L652 WeakPolarHBondContact O-CB 3.39Å; P648-L652 PolarHBondContact O-N 3.09Å; I650-L652 PolarHBondContact O-N 3.03Å; L652-L655 PolarHBondContact O-N 2.93Å; L652-V656 VanDerWaalsContact O-CG2 3.3Å; L652-V656 WeakPolarHBondContact O-CG2 3Å; L652-V656 PolarHBondContact O-N 3.36Å; L652-I713 HydrophobicContact CD1-CB 4.3Å; L652-I713 HydrophobicContact CD1-CD1 4.37Å; L652-I713 HydrophobicContact CD1-CG1 3.94Å; L652-I713 HydrophobicContact CD1-CG2 3.75Å; L652-L717 HydrophobicContact CD1-CG 4.47Å; L652-L717 HydrophobicContact CD2-CD2 4.08Å
653G92.5Very high87Confident43 Ų4354.8 Ų54.844%0.44331%0.305SS..Hα-helixtrans-61.1-43.7175.300000113.1L649 I650 V651 F657L649-G653 PolarHBondContact O-N 3.31Å; I650-G653 PolarHBondContact O-N 3.43Å; V651-G653 VanDerWaalsContact C-N 3.31Å; V651-G653 PolarHBondContact O-N 3.46Å; G653-F657 WeakPolarHBondContact O-CB 3.46Å; G653-F657 PolarHBondContact O-N 3.09Å
654I92.8Very high88.1Confident30 Ų3056.6 Ų56.615%0.15432%0.32CS..Hα-helixtrans-66.7-41.3177-65.9166.2000110.9K559 G562 M571 I650 V651 F657 G658K559-I654 HydrophobicContact CG-CG2 4.19Å; G562-I654 VanDerWaalsContact CA-CD1 3.49Å; M571-I654 HydrophobicContact CE-CB 4.11Å; M571-I654 HydrophobicContact CE-CG2 4Å; M571-I654 HydrophobicContact SD-CG2 4.28Å; I650-I654 HydrophobicContact CG2-CD1 3.9Å; I650-I654 WeakPolarHBondContact O-CG1 3.12Å; I650-I654 PolarHBondContact O-N 3.45Å; V651-I654 PolarHBondContact O-N 3.12Å; V651-I654 VanDerWaalsContact O-N 3.17Å; I654-F657 PolarHBondContact O-N 3.19Å; I654-G658 PolarHBondContact O-N 3Å
655L92.2Very high88.9Confident0 Ų050.7 Ų50.70%030%0.297CS..Hα-helixtrans-64.5-45177.8-66.8174.8000112M571 E574 V651 L652 F657 G658 I659 L709 A712 I713M571-L655 HydrophobicContact CE-CD1 4.34Å; M571-L655 HydrophobicContact CE-CD2 3.51Å; M571-L655 HydrophobicContact CE-CG 3.57Å; M571-L655 HydrophobicContact SD-CD2 4.3Å; E574-L655 HydrophobicContact CG-CD2 4.36Å; V651-L655 HydrophobicContact CG1-CD1 4.03Å; V651-L655 HydrophobicContact CG1-CG 4.41Å; V651-L655 WeakPolarHBondContact O-CG 3.28Å; V651-L655 PolarHBondContact O-N 3.37Å; L652-L655 PolarHBondContact O-N 2.93Å; L655-F657 VanDerWaalsContact C-N 3.32Å; L655-F657 PolarHBondContact O-N 3.04Å; L655-G658 WeakPolarHBondContact O-CA 3.21Å; L655-G658 PolarHBondContact O-N 3.08Å; L655-G658 VanDerWaalsContact O-N 3.15Å; L655-I659 WeakPolarHBondContact O-CG1 3.42Å; L655-I659 PolarHBondContact O-N 2.83Å; L655-L709 HydrophobicContact CD2-CD2 3.58Å; L655-A712 HydrophobicContact CD1-CB 3.83Å; L655-A712 HydrophobicContact CD2-CB 3.82Å; L655-A712 HydrophobicContact CG-CB 4.5Å; L655-I713 HydrophobicContact CB-CD1 4.05Å; L655-I713 HydrophobicContact CB-CG1 3.63Å; L655-I713 HydrophobicContact CD1-CG1 3.72Å; L655-I713 HydrophobicContact CG-CG1 4.3Å
656V94.1Very high89.5Confident69 Ų6950.7 Ų50.742%0.41830%0.296SS..Hα-helixtrans-62.7-41.1176.3170.90000111L652 G658 I659 L660 I713L652-V656 VanDerWaalsContact O-CG2 3.3Å; L652-V656 WeakPolarHBondContact O-CG2 3Å; L652-V656 PolarHBondContact O-N 3.36Å; V656-G658 VanDerWaalsContact C-N 3.33Å; V656-G658 PolarHBondContact O-N 3.29Å; V656-I659 PolarHBondContact O-N 3.4Å; V656-L660 WeakPolarHBondContact O-CG 3.43Å; V656-L660 PolarHBondContact O-N 3.11Å; V656-L660 VanDerWaalsContact O-N 3.14Å; V656-I713 HydrophobicContact CG2-CD1 4.08Å
657F91.6Very high90.1Very high106 Ų10655.1 Ų55.147%0.46531%0.31SS..Hα-helixtrans-60.4-43.2172.9176.8-104.2000111.8V555 G653 I654 L655 I659 L660 V661V555-F657 HydrophobicContact CG2-CE1 4.3Å; G653-F657 WeakPolarHBondContact O-CB 3.46Å; G653-F657 PolarHBondContact O-N 3.09Å; I654-F657 PolarHBondContact O-N 3.19Å; L655-F657 VanDerWaalsContact C-N 3.32Å; L655-F657 PolarHBondContact O-N 3.04Å; F657-I659 PolarHBondContact O-N 2.84Å; F657-L660 PolarHBondContact O-N 3.24Å; F657-V661 HydrophobicContact CD1-CG2 4.47Å; F657-V661 HydrophobicContact CD2-CG2 4.49Å; F657-V661 HydrophobicContact CE1-CG2 4.01Å; F657-V661 HydrophobicContact CE2-CG2 4.03Å; F657-V661 HydrophobicContact CZ-CG2 3.77Å; F657-V661 WeakPolarHBondContact O-CG2 3.48Å; F657-V661 PolarHBondContact O-N 2.94Å; F657-V661 VanDerWaalsContact O-N 3.1Å
658G90.3Very high90.2Very high1 Ų156 Ų561%0.0131%0.313CS..Hα-helixtrans-54.9-48172.700000112.4I654 L655 V656 L660 V661 E662I654-G658 PolarHBondContact O-N 3Å; L655-G658 WeakPolarHBondContact O-CA 3.21Å; L655-G658 PolarHBondContact O-N 3.08Å; L655-G658 VanDerWaalsContact O-N 3.15Å; V656-G658 VanDerWaalsContact C-N 3.33Å; V656-G658 PolarHBondContact O-N 3.29Å; G658-L660 VanDerWaalsContact C-N 3.27Å; G658-L660 PolarHBondContact O-N 3.02Å; G658-V661 PolarHBondContact O-N 2.96Å; G658-V661 VanDerWaalsContact O-N 3.13Å; G658-E662 WeakPolarHBondContact O-CB 3.27Å; G658-E662 PolarHBondContact O-N 2.87Å
659I93.1Very high90.3Very high46 Ų4654.8 Ų54.824%0.23631%0.306CS..Hα-helixtrans-61.8-38.5-178.6-69.7179.9000110.8L655 V656 F657 G663 L709 V710 I713L655-I659 WeakPolarHBondContact O-CG1 3.42Å; L655-I659 PolarHBondContact O-N 2.83Å; V656-I659 PolarHBondContact O-N 3.4Å; F657-I659 PolarHBondContact O-N 2.84Å; I659-G663 VanDerWaalsContact O-CA 3.3Å; I659-G663 WeakPolarHBondContact O-CA 3.42Å; I659-G663 PolarHBondContact O-N 2.83Å; I659-L709 HydrophobicContact CB-CD1 4.36Å; I659-L709 HydrophobicContact CD1-CB 4.03Å; I659-L709 HydrophobicContact CG1-CB 3.51Å; I659-L709 HydrophobicContact CG1-CD1 3.67Å; I659-L709 HydrophobicContact CG1-CG 4.24Å; I659-L709 VanDerWaalsContact N-CD1 3.32Å; I659-V710 HydrophobicContact CD1-CG2 4.08Å; I659-I713 HydrophobicContact CD1-CD1 3.4Å; I659-I713 VanDerWaalsContact CD1-CD1 3.4Å
660L92.4Very high90.3Very high120 Ų12052.3 Ų52.363%0.62829%0.292SS*.Hα-helixtrans-66-42.4177.8-68.6174000111.8V656 F657 G658 S664V656-L660 WeakPolarHBondContact O-CG 3.43Å; V656-L660 PolarHBondContact O-N 3.11Å; V656-L660 VanDerWaalsContact O-N 3.14Å; F657-L660 PolarHBondContact O-N 3.24Å; G658-L660 VanDerWaalsContact C-N 3.27Å; G658-L660 PolarHBondContact O-N 3.02Å; L660-S664 WeakPolarHBondContact O-CB 3.45Å; L660-S664 PolarHBondContact O-N 3.06Å
661V89.5Confident90.3Very high35 Ų3554.8 Ų54.821%0.21230%0.3CS..Hα-helixtrans-71.5-56.3-179.8176.80000110.7V555 F657 G658 G663 S664 S665V555-V661 HydrophobicContact CG2-CB 4.36Å; V555-V661 HydrophobicContact CG2-CG1 3.94Å; V555-V661 HydrophobicContact CG2-CG2 4.43Å; F657-V661 HydrophobicContact CD1-CG2 4.47Å; F657-V661 HydrophobicContact CD2-CG2 4.49Å; F657-V661 HydrophobicContact CE1-CG2 4.01Å; F657-V661 HydrophobicContact CE2-CG2 4.03Å; F657-V661 HydrophobicContact CZ-CG2 3.77Å; F657-V661 WeakPolarHBondContact O-CG2 3.48Å; F657-V661 PolarHBondContact O-N 2.94Å; F657-V661 VanDerWaalsContact O-N 3.1Å; G658-V661 PolarHBondContact O-N 2.96Å; G658-V661 VanDerWaalsContact O-N 3.13Å; V661-G663 PolarHBondContact O-N 3.35Å; V661-S664 WeakPolarHBondContact O-CB 3.33Å; V661-S664 PolarHBondContact O-N 2.86Å; V661-S664 VanDerWaalsContact O-N 3.08Å; V661-S664 PolarHBondContact O-OG 3.21Å; V661-S665 PolarHBondContact O-N 2.69Å; V661-S665 VanDerWaalsContact O-N 3.08Å
662E89.3Confident90Very high12 Ų1259.4 Ų59.46%0.05632%0.322CS..Hα-helixtrans-66.5-37-177.6-68172.6-163.400111.8K559 G658 S664 S665 L666 A705 V706 L709K559-E662 WeakPolarHBondContact CE-OE1 3.13Å; K559-E662 IonicContact NZ-OE1 3.81Å; K559-E662 PolarHBondContact NZ-OE1 3.2Å; G658-E662 WeakPolarHBondContact O-CB 3.27Å; G658-E662 PolarHBondContact O-N 2.87Å; E662-S664 PolarHBondContact O-N 3.24Å; E662-S665 WeakPolarHBondContact O-CB 3.28Å; E662-S665 PolarHBondContact O-N 3.01Å; E662-S665 VanDerWaalsContact O-N 3.1Å; E662-L666 PolarHBondContact O-N 3.43Å; E662-A705 WeakPolarHBondContact OE2-CB 3.45Å; E662-V706 HydrophobicContact CB-CG2 4.18Å; E662-L709 WeakPolarHBondContact OE2-CD1 3.44Å
663G92Very high89.7Confident30 Ų3057.6 Ų57.631%0.30931%0.313SS..Hα-helixtrans-63.3-31173.100000113I659 V661 K667I659-G663 VanDerWaalsContact O-CA 3.3Å; I659-G663 WeakPolarHBondContact O-CA 3.42Å; I659-G663 PolarHBondContact O-N 2.83Å; V661-G663 PolarHBondContact O-N 3.35Å; G663-K667 WeakPolarHBondContact O-CB 3.23Å; G663-K667 PolarHBondContact O-N 2.82Å
664S88.7Confident89.4Confident62 Ų6261.9 Ų61.943%0.43432%0.32SS..Hα-helixtrans-71.4-38172.380.70000112.1L660 V661 E662 K667 I668L660-S664 WeakPolarHBondContact O-CB 3.45Å; L660-S664 PolarHBondContact O-N 3.06Å; V661-S664 WeakPolarHBondContact O-CB 3.33Å; V661-S664 PolarHBondContact O-N 2.86Å; V661-S664 VanDerWaalsContact O-N 3.08Å; V661-S664 PolarHBondContact O-OG 3.21Å; E662-S664 PolarHBondContact O-N 3.24Å; S664-K667 PolarHBondContact O-N 2.78Å; S664-I668 WeakPolarHBondContact O-CG1 3.47Å; S664-I668 PolarHBondContact O-N 3.14Å; S664-I668 VanDerWaalsContact O-N 3.17Å
665S86.5Confident88.7Confident40 Ų4066.3 Ų66.328%0.2834%0.341SS..Hα-helixtrans-63.4-49.5174-171.80000111.1V661 E662 K667 I668 A669 D702V661-S665 PolarHBondContact O-N 2.69Å; V661-S665 VanDerWaalsContact O-N 3.08Å; E662-S665 WeakPolarHBondContact O-CB 3.28Å; E662-S665 PolarHBondContact O-N 3.01Å; E662-S665 VanDerWaalsContact O-N 3.1Å; S665-K667 PolarHBondContact O-N 2.98Å; S665-I668 WeakPolarHBondContact O-CA 3.32Å; S665-I668 WeakPolarHBondContact O-CB 3.46Å; S665-I668 PolarHBondContact O-N 3.36Å; S665-A669 PolarHBondContact O-N 2.6Å; S665-D702 VanDerWaalsContact C-OD2 3.31Å; S665-D702 VanDerWaalsContact CB-OD2 3.29Å; S665-D702 WeakPolarHBondContact CB-OD2 3.06Å; S665-D702 PolarHBondContact OG-OD2 2.98Å
666L90Very high88.1Confident23 Ų2369.6 Ų69.612%0.1236%0.358CS..Hα-helixtrans-55.9-40.8177.1-176.857.9000111.8E662 I668 A669 I670 F699 D702 F703 V706E662-L666 PolarHBondContact O-N 3.43Å; L666-I668 VanDerWaalsContact C-N 3.33Å; L666-I668 PolarHBondContact O-N 3.31Å; L666-A669 PolarHBondContact O-N 2.78Å; L666-I670 HydrophobicContact CD1-CD1 4.23Å; L666-I670 HydrophobicContact CD1-CG1 4.38Å; L666-I670 HydrophobicContact CG-CD1 3.97Å; L666-I670 WeakPolarHBondContact O-CB 3.21Å; L666-I670 VanDerWaalsContact O-CG1 3.26Å; L666-I670 WeakPolarHBondContact O-CG1 3.05Å; L666-I670 PolarHBondContact O-N 2.93Å; L666-F699 HydrophobicContact CD1-CD2 4.03Å; L666-F699 HydrophobicContact CD1-CE2 4.08Å; L666-D702 HydrophobicContact CB-CB 3.96Å; L666-D702 HydrophobicContact CD1-CB 3.93Å; L666-D702 HydrophobicContact CG-CB 4.49Å; L666-D702 PolarHBondContact N-OD2 3.4Å; L666-F703 HydrophobicContact CD1-CB 4.38Å; L666-V706 HydrophobicContact CD2-CG2 4.25Å
667K91.3Very high87.4Confident161 Ų16167 Ų6770%0.734%0.342SS*.Hα-helixtrans-63.9-38.5176.7-175.1-179.9180-179.10112.1G663 S664 S665 K671G663-K667 WeakPolarHBondContact O-CB 3.23Å; G663-K667 PolarHBondContact O-N 2.82Å; S664-K667 PolarHBondContact O-N 2.78Å; S665-K667 PolarHBondContact O-N 2.98Å; K667-K671 WeakPolarHBondContact O-CB 3.46Å; K667-K671 PolarHBondContact O-N 3.34Å; K667-K671 VanDerWaalsContact O-N 3.07Å
668I86.5Confident86.6Confident111 Ų11167.7 Ų67.757%0.56936%0.355SS*.Hα-helixtrans-66.9-45.5175.4-66.5164.5000109.8S664 S665 L666 I670 K671 E672S664-I668 WeakPolarHBondContact O-CG1 3.47Å; S664-I668 PolarHBondContact O-N 3.14Å; S664-I668 VanDerWaalsContact O-N 3.17Å; S665-I668 WeakPolarHBondContact O-CA 3.32Å; S665-I668 WeakPolarHBondContact O-CB 3.46Å; S665-I668 PolarHBondContact O-N 3.36Å; L666-I668 VanDerWaalsContact C-N 3.33Å; L666-I668 PolarHBondContact O-N 3.31Å; I668-I670 PolarHBondContact O-N 3.37Å; I668-K671 WeakPolarHBondContact O-CB 3.25Å; I668-K671 PolarHBondContact O-N 2.87Å; I668-K671 VanDerWaalsContact O-N 3.11Å; I668-E672 PolarHBondContact O-N 2.75Å
669A85.4Confident85.8Confident9 Ų972 Ų727%0.07438%0.375CS..Hα-helixtrans-60.1-43.3176.900000112.3S665 L666 K671 E672 I673 I698S665-A669 PolarHBondContact O-N 2.6Å; L666-A669 PolarHBondContact O-N 2.78Å; A669-K671 VanDerWaalsContact C-N 3.3Å; A669-K671 PolarHBondContact O-N 2.93Å; A669-E672 PolarHBondContact O-N 2.76Å; A669-I673 WeakPolarHBondContact O-CG1 3.34Å; A669-I673 PolarHBondContact O-N 3.33Å; A669-I698 HydrophobicContact CB-CG2 4.32Å
670I88.9Confident85.1Confident79 Ų7978.3 Ų78.341%0.40540%0.4SS..Hα-helixtrans-62.3-39.2174.9-70.4167.5000111.2L666 I668 I673 H674 F699L666-I670 HydrophobicContact CD1-CD1 4.23Å; L666-I670 HydrophobicContact CD1-CG1 4.38Å; L666-I670 HydrophobicContact CG-CD1 3.97Å; L666-I670 WeakPolarHBondContact O-CB 3.21Å; L666-I670 VanDerWaalsContact O-CG1 3.26Å; L666-I670 WeakPolarHBondContact O-CG1 3.05Å; L666-I670 PolarHBondContact O-N 2.93Å; I668-I670 PolarHBondContact O-N 3.37Å; I670-I673 PolarHBondContact O-N 2.99Å; I670-H674 WeakPolarHBondContact O-CB 3.22Å; I670-H674 PolarHBondContact O-N 3.45Å; I670-F699 HydrophobicContact CG1-CD2 4.45Å; I670-F699 HydrophobicContact CG1-CE2 4.14Å
671K87.1Confident84.5Confident131 Ų13174 Ų7457%0.5738%0.378SS*.Hα-helixtrans-63.9-44.8176.3-174.8-172.8173.7-159.60111.1K667 I668 A669 H674 E675K667-K671 WeakPolarHBondContact O-CB 3.46Å; K667-K671 PolarHBondContact O-N 3.34Å; K667-K671 VanDerWaalsContact O-N 3.07Å; I668-K671 WeakPolarHBondContact O-CB 3.25Å; I668-K671 PolarHBondContact O-N 2.87Å; I668-K671 VanDerWaalsContact O-N 3.11Å; A669-K671 VanDerWaalsContact C-N 3.3Å; A669-K671 PolarHBondContact O-N 2.93Å; K671-H674 WeakPolarHBondContact O-CB 3.48Å; K671-H674 PolarHBondContact O-N 2.82Å; K671-H674 VanDerWaalsContact O-N 3.12Å; K671-E675 WeakPolarHBondContact CE-OE1 3.35Å; K671-E675 IonicContact NZ-OE1 3.41Å; K671-E675 WeakPolarHBondContact O-CG 3.39Å; K671-E675 PolarHBondContact O-N 2.79Å
672E83.3Confident84.4Confident98 Ų9876.6 Ų76.646%0.45840%0.395SS..Hα-helixtrans-62.9-42.2177-174.8170-174.700111.8I668 A669 H674 E675 L676I668-E672 PolarHBondContact O-N 2.75Å; A669-E672 PolarHBondContact O-N 2.76Å; E672-H674 VanDerWaalsContact C-N 3.29Å; E672-H674 PolarHBondContact O-N 3.4Å; E672-E675 PolarHBondContact O-N 3.11Å; E672-L676 HydrophobicContact CG-CD1 4.11Å; E672-L676 WeakPolarHBondContact O-CG 3.32Å; E672-L676 PolarHBondContact O-N 3.06Å
673I86.1Confident84.1Confident4 Ų479.3 Ų79.32%0.02141%0.41CS..Hα-helixtrans-57.9-43171.1-72.5163.9000110.9A669 I670 E675 L676 N677 L683 F686 L687 I695 F699A669-I673 WeakPolarHBondContact O-CG1 3.34Å; A669-I673 PolarHBondContact O-N 3.33Å; I670-I673 PolarHBondContact O-N 2.99Å; I673-E675 VanDerWaalsContact C-N 3.35Å; I673-E675 PolarHBondContact O-N 2.81Å; I673-L676 PolarHBondContact O-N 3.45Å; I673-N677 WeakPolarHBondContact O-CB 3.48Å; I673-N677 PolarHBondContact O-N 2.78Å; I673-L683 HydrophobicContact CD1-CD1 4.37Å; I673-L683 HydrophobicContact CG2-CD1 3.71Å; I673-F686 HydrophobicContact CB-CE1 4.36Å; I673-F686 HydrophobicContact CG1-CE1 4.38Å; I673-F686 HydrophobicContact CG2-CD1 3.63Å; I673-F686 HydrophobicContact CG2-CE1 3.67Å; I673-L687 HydrophobicContact CD1-CD2 4.01Å; I673-I695 HydrophobicContact CD1-CG2 4.07Å; I673-I695 HydrophobicContact CG1-CG2 3.55Å; I673-F699 HydrophobicContact CD1-CB 4.05Å; I673-F699 HydrophobicContact CD1-CD2 3.69Å; I673-F699 HydrophobicContact CD1-CE2 4.44Å; I673-F699 HydrophobicContact CD1-CG 3.95Å
674H85.4Confident83.6Confident132 Ų13286.1 Ų86.161%0.61143%0.431SS*.Hα-helixtrans-65.9-37178.8-169.170.8000112.5I670 K671 E672I670-H674 WeakPolarHBondContact O-CB 3.22Å; I670-H674 PolarHBondContact O-N 3.45Å; K671-H674 WeakPolarHBondContact O-CB 3.48Å; K671-H674 PolarHBondContact O-N 2.82Å; K671-H674 VanDerWaalsContact O-N 3.12Å; E672-H674 VanDerWaalsContact C-N 3.29Å; E672-H674 PolarHBondContact O-N 3.4Å
675E79.2Confident83.3Confident124 Ų12488 Ų8858%0.57943%0.431SS*.Hα-helixtrans-68.5-36.1176.3-72.5179-174.500112.1K671 E672 I673K671-E675 WeakPolarHBondContact CE-OE1 3.35Å; K671-E675 IonicContact NZ-OE1 3.41Å; K671-E675 WeakPolarHBondContact O-CG 3.39Å; K671-E675 PolarHBondContact O-N 2.79Å; E672-E675 PolarHBondContact O-N 3.11Å; I673-E675 VanDerWaalsContact C-N 3.35Å; I673-E675 PolarHBondContact O-N 2.81Å
676L78.9Confident83.2Confident69 Ų6987.1 Ų87.136%0.36142%0.423SS..Hα-helixtrans-79.7-28.6176.4-69.3166.5000113.1E672 I673 T678 F686 I695E672-L676 HydrophobicContact CG-CD1 4.11Å; E672-L676 WeakPolarHBondContact O-CG 3.32Å; E672-L676 PolarHBondContact O-N 3.06Å; I673-L676 PolarHBondContact O-N 3.45Å; L676-T678 PolarHBondContact O-N 3.4Å; L676-F686 HydrophobicContact CB-CZ 3.9Å; L676-I695 HydrophobicContact CD1-CD1 3.1Å
677N80.7Confident82.8Confident14 Ų1486.6 Ų86.68%0.07542%0.42CS..  trans-79.362.3178.5-1729000111.9I673 E679 K680 L681 F686I673-N677 WeakPolarHBondContact O-CB 3.48Å; I673-N677 PolarHBondContact O-N 2.78Å; N677-E679 PolarHBondContact O-N 2.86Å; N677-E679 VanDerWaalsContact O-N 3.14Å; N677-K680 PolarHBondContact O-N 2.77Å; N677-K680 PolarHBondContact OD1-N 3.4Å; N677-L681 PolarHBondContact ND2-N 3.07Å; N677-L681 PolarHBondContact ND2-O 3.19Å; N677-L681 PolarHBondContact OD1-N 3.45Å; N677-F686 HydrophobicContact CB-CD2 3.55Å; N677-F686 HydrophobicContact CB-CE2 3.63Å; N677-F686 HydrophobicContact CB-CG 4.03Å; N677-F686 HydrophobicContact CB-CZ 4.18Å; N677-F686 VanDerWaalsContact CG-CD2 3.48Å
678T74.8Confident82.3Confident120 Ų12084.3 Ų84.374%0.73641%0.411SS*.THydrogen-bonded Turntrans-57.6-26.5177.9540000113.3L676L676-T678 PolarHBondContact O-N 3.4Å
679E72.9Confident82Confident93 Ų9382 Ų8244%0.43540%0.398SS..THydrogen-bonded Turntrans-86.9-0.4-179.7-61.8-170.1179.100114.1N677 L681 N762N677-E679 PolarHBondContact O-N 2.86Å; N677-E679 VanDerWaalsContact O-N 3.14Å; E679-L681 HydrophobicContact CB-CD1 4.37Å; E679-L681 HydrophobicContact CB-CG 4Å; E679-L681 PolarHBondContact O-N 3.31Å; E679-N762 WeakPolarHBondContact OE1-CB 3.33Å; E679-N762 PolarHBondContact OE1-ND2 3.12Å
680K78.8Confident81.8Confident177 Ų17782.2 Ų82.277%0.7740%0.399SS*.  trans53.337.5-179.5-57.6-178.1179.8179.80113.3N677N677-K680 PolarHBondContact O-N 2.77Å; N677-K680 PolarHBondContact OD1-N 3.4Å
681L80.3Confident81.8Confident31 Ų3180.1 Ų80.116%0.16239%0.386CS..  trans-67.3152.1176.3-65.2171.5000110.8N677 E679 K685 F686N677-L681 PolarHBondContact ND2-N 3.07Å; N677-L681 PolarHBondContact ND2-O 3.19Å; N677-L681 PolarHBondContact OD1-N 3.45Å; E679-L681 HydrophobicContact CB-CD1 4.37Å; E679-L681 HydrophobicContact CB-CG 4Å; E679-L681 PolarHBondContact O-N 3.31Å; L681-K685 HydrophobicContact CD2-CD 4.23Å; L681-F686 HydrophobicContact CB-CB 4.19Å
682P85.4Confident81.8Confident89 Ų8976.5 Ų76.558%0.57837%0.371SS*.  trans-54.8142.1167.7-23.133.1000111.1F684 K685 F686P682-F684 PolarHBondContact O-N 2.94Å; P682-K685 HydrophobicContact CB-CB 4.38Å; P682-K685 WeakPolarHBondContact O-CA 3.39Å; P682-K685 WeakPolarHBondContact O-CB 3.09Å; P682-K685 PolarHBondContact O-N 3.31Å; P682-F686 PolarHBondContact O-N 3.08Å
683L83.2Confident82Confident68 Ų6871.8 Ų71.836%0.35635%0.349SS..Hα-helixtrans-50.1-51.2-172.2-177.567.7000113.4I673 K685 F686 L687 F699I673-L683 HydrophobicContact CD1-CD1 4.37Å; I673-L683 HydrophobicContact CG2-CD1 3.71Å; L683-K685 VanDerWaalsContact C-N 3.3Å; L683-K685 PolarHBondContact O-N 3.28Å; L683-F686 PolarHBondContact O-N 3.3Å; L683-L687 HydrophobicContact CD1-CD1 4.27Å; L683-L687 HydrophobicContact CD1-CG 4.38Å; L683-L687 HydrophobicContact CG-CD1 4.06Å; L683-L687 WeakPolarHBondContact O-CG 3.48Å; L683-L687 PolarHBondContact O-N 2.7Å; L683-F699 HydrophobicContact CD2-CE2 4.18Å; L683-F699 HydrophobicContact CD2-CZ 3.78Å
684F81.3Confident82.1Confident173 Ų17372.6 Ų72.676%0.75935%0.353SS*.Hα-helixtrans-61-38.3178.9-81.1-79.1000113.1P682 H688P682-F684 PolarHBondContact O-N 2.94Å; F684-H688 WeakPolarHBondContact O-CB 3.47Å; F684-H688 PolarHBondContact O-N 2.83Å; F684-H688 VanDerWaalsContact O-N 3.1Å
685K82.6Confident82.2Confident101 Ų10167.2 Ų67.244%0.43933%0.328SS..Hα-helixtrans-70-41.2177.7-172.9177.7173.8-170.70110.8L681 P682 L683 H688 E689L681-K685 HydrophobicContact CD2-CD 4.23Å; P682-K685 HydrophobicContact CB-CB 4.38Å; P682-K685 WeakPolarHBondContact O-CA 3.39Å; P682-K685 WeakPolarHBondContact O-CB 3.09Å; P682-K685 PolarHBondContact O-N 3.31Å; L683-K685 VanDerWaalsContact C-N 3.3Å; L683-K685 PolarHBondContact O-N 3.28Å; K685-H688 PolarHBondContact O-N 3.1Å; K685-E689 WeakPolarHBondContact CE-OE1 3.33Å; K685-E689 HydrophobicContact CG-CG 4.47Å; K685-E689 IonicContact NZ-OE1 3.64Å; K685-E689 WeakPolarHBondContact O-CB 3.28Å; K685-E689 WeakPolarHBondContact O-CG 3.35Å; K685-E689 PolarHBondContact O-N 3.1Å
686F85.1Confident82.7Confident22 Ų2261.7 Ų61.710%0.09630%0.303CS..Hα-helixtrans-61.9-46.8175175.2-94.5000111.5I673 L676 N677 L681 P682 L683 H688 E689 S690I673-F686 HydrophobicContact CB-CE1 4.36Å; I673-F686 HydrophobicContact CG1-CE1 4.38Å; I673-F686 HydrophobicContact CG2-CD1 3.63Å; I673-F686 HydrophobicContact CG2-CE1 3.67Å; L676-F686 HydrophobicContact CB-CZ 3.9Å; N677-F686 HydrophobicContact CB-CD2 3.55Å; N677-F686 HydrophobicContact CB-CE2 3.63Å; N677-F686 HydrophobicContact CB-CG 4.03Å; N677-F686 HydrophobicContact CB-CZ 4.18Å; N677-F686 VanDerWaalsContact CG-CD2 3.48Å; L681-F686 HydrophobicContact CB-CB 4.19Å; P682-F686 PolarHBondContact O-N 3.08Å; L683-F686 PolarHBondContact O-N 3.3Å; F686-H688 VanDerWaalsContact C-N 3.33Å; F686-H688 PolarHBondContact O-N 3.33Å; F686-E689 CarbonylContact O-C 3.47Å; F686-E689 PolarHBondContact O-N 2.97Å; F686-S690 WeakPolarHBondContact O-CA 3.25Å; F686-S690 VanDerWaalsContact O-CB 3.23Å; F686-S690 WeakPolarHBondContact O-CB 3.36Å; F686-S690 PolarHBondContact O-N 2.98Å
687L82.7Confident83.3Confident12 Ų1258.4 Ų58.46%0.06329%0.286CS..Hα-helixtrans-61.8-41.6-179.5-73175000111.9I673 L683 S690 L696 F699I673-L687 HydrophobicContact CD1-CD2 4.01Å; L683-L687 HydrophobicContact CD1-CD1 4.27Å; L683-L687 HydrophobicContact CD1-CG 4.38Å; L683-L687 HydrophobicContact CG-CD1 4.06Å; L683-L687 WeakPolarHBondContact O-CG 3.48Å; L683-L687 PolarHBondContact O-N 2.7Å; L687-S690 WeakPolarHBondContact O-CB 3.04Å; L687-S690 PolarHBondContact O-N 3.31Å; L687-L696 HydrophobicContact CB-CD1 3.93Å; L687-L696 HydrophobicContact CD1-CD1 4.42Å; L687-L696 HydrophobicContact CD2-CD1 3.97Å; L687-L696 HydrophobicContact CG-CD1 4.32Å; L687-F699 HydrophobicContact CD1-CD1 3.52Å; L687-F699 HydrophobicContact CD1-CE1 3.41Å; L687-F699 VanDerWaalsContact CD1-CE1 3.41Å; L687-F699 HydrophobicContact CD1-CG 4.33Å; L687-F699 HydrophobicContact CD1-CZ 4.15Å; L687-F699 HydrophobicContact CD2-CD1 4.37Å
688H78.7Confident83.6Confident113 Ų11360.9 Ų60.952%0.52330%0.298SS..Hα-helixtrans-71.2-32.6176.3-170.760.5000113.3F684 K685 F686 R691 E749F684-H688 WeakPolarHBondContact O-CB 3.47Å; F684-H688 PolarHBondContact O-N 2.83Å; F684-H688 VanDerWaalsContact O-N 3.1Å; K685-H688 PolarHBondContact O-N 3.1Å; F686-H688 VanDerWaalsContact C-N 3.33Å; F686-H688 PolarHBondContact O-N 3.33Å; H688-R691 PolarHBondContact O-NH1 3.31Å; H688-E749 IonicContact CE1-OE1 3.95Å; H688-E749 IonicContact CE1-OE2 3.52Å; H688-E749 PolarHBondContact CE1-OE2 2.72Å; H688-E749 IonicContact CG-OE2 2.86Å; H688-E749 IonicContact ND1-OE1 3.34Å; H688-E749 PolarHBondContact ND1-OE1 3.26Å; H688-E749 IonicContact ND1-OE2 3.24Å; H688-E749 PolarHBondContact ND1-OE2 3.24Å
689E80.4Confident84.4Confident63 Ų6356.1 Ų56.129%0.29427%0.267SS..Hα-helixtrans-86.2-6.7174.9-68.8-174.8-169.800113.2K685 F686 R691K685-E689 WeakPolarHBondContact CE-OE1 3.33Å; K685-E689 HydrophobicContact CG-CG 4.47Å; K685-E689 IonicContact NZ-OE1 3.64Å; K685-E689 WeakPolarHBondContact O-CB 3.28Å; K685-E689 WeakPolarHBondContact O-CG 3.35Å; K685-E689 PolarHBondContact O-N 3.1Å; F686-E689 CarbonylContact O-C 3.47Å; F686-E689 PolarHBondContact O-N 2.97Å; E689-R691 PolarHBondContact O-NH1 2.5Å
690S82.4Confident85.2Confident13 Ų1352.3 Ų52.39%0.09125%0.25CS..  trans-74.6136.9179-177.90000110.2F686 L687 H692F686-S690 WeakPolarHBondContact O-CA 3.25Å; F686-S690 VanDerWaalsContact O-CB 3.23Å; F686-S690 WeakPolarHBondContact O-CB 3.36Å; F686-S690 PolarHBondContact O-N 2.98Å; L687-S690 WeakPolarHBondContact O-CB 3.04Å; L687-S690 PolarHBondContact O-N 3.31Å; S690-H692 PolarHBondContact OG-N 3.13Å
691R87.9Confident85.7Confident36 Ų3644 Ų4414%0.13621%0.214CC..  trans-99.17.7174.1-51.7-61.6177-116.89.6112.2Y612 H688 E689 E757Y612-R691 VanDerWaalsContact CE1-O 3.22Å; Y612-R691 WeakPolarHBondContact CE1-O 3.36Å; Y612-R691 PolarHBondContact OH-O 3.5Å; H688-R691 PolarHBondContact O-NH1 3.31Å; E689-R691 PolarHBondContact O-NH1 2.5Å; R691-E757 WeakPolarHBondContact CD-OE2 3.22Å; R691-E757 IonicContact CZ-OE2 3.33Å; R691-E757 IonicContact NE-OE2 3.1Å; R691-E757 PolarHBondContact NE-OE2 3.2Å; R691-E757 VanDerWaalsContact NE-OE2 3.07Å; R691-E757 IonicContact NH1-OE2 2.67Å; R691-E757 PolarHBondContact NH1-OE2 2.69Å; R691-E757 IonicContact NH2-OE2 3.5Å; R691-E757 PolarHBondContact NH2-OE2 3.11Å
692H87.5Confident86.2Confident54 Ų5443.1 Ų43.125%0.2521%0.21CC..  trans-9697.1178-63.7-88.7000109.6S690 E694 I695 L696 P789S690-H692 PolarHBondContact OG-N 3.13Å; H692-E694 VanDerWaalsContact C-N 3.31Å; H692-E694 PolarHBondContact O-N 3.34Å; H692-I695 HydrophobicContact CB-CB 4.21Å; H692-I695 HydrophobicContact CB-CD1 3.73Å; H692-I695 HydrophobicContact CB-CG1 4Å; H692-L696 PolarHBondContact O-N 3.34Å; H692-P789 WeakPolarHBondContact ND1-CB 3.2Å
693S88.7Confident86.5Confident0 Ų043.7 Ų43.70%020%0.203CC..Hα-helixtrans-67.3-32.7-177.655.10000112.4S615 I695 L696 I697S615-S693 WeakPolarHBondContact OG-CB 3.33Å; S615-S693 PolarHBondContact OG-OG 3.05Å; S693-I695 PolarHBondContact O-N 3.18Å; S693-L696 PolarHBondContact O-N 3.12Å; S693-I697 WeakPolarHBondContact O-CG1 3.39Å; S693-I697 PolarHBondContact O-N 3.05Å
694E87.1Confident87Confident21 Ų2140.9 Ų40.910%0.09819%0.189CC..Hα-helixtrans-65.6-41.9-178-53.287.4167.800111.9L588 K611 H692 L696 I697 I698L588-E694 HydrophobicContact CD2-CG 4.4Å; K611-E694 WeakPolarHBondContact CB-OE1 3.48Å; K611-E694 WeakPolarHBondContact CD-OE1 3.36Å; K611-E694 WeakPolarHBondContact CE-OE1 3.25Å; K611-E694 WeakPolarHBondContact CG-OE1 3.5Å; K611-E694 IonicContact NZ-OE1 2.97Å; K611-E694 PolarHBondContact NZ-OE1 3.26Å; H692-E694 VanDerWaalsContact C-N 3.31Å; H692-E694 PolarHBondContact O-N 3.34Å; E694-L696 VanDerWaalsContact C-N 3.28Å; E694-L696 PolarHBondContact O-N 3.35Å; E694-I697 PolarHBondContact O-N 3.42Å; E694-I698 VanDerWaalsContact O-CG1 3.3Å; E694-I698 WeakPolarHBondContact O-CG1 3.49Å; E694-I698 PolarHBondContact O-N 2.83Å
695I86.6Confident87.4Confident18 Ų1832.7 Ų32.79%0.09215%0.154CC..Hα-helixtrans-63.1-40.4177.1-62.1178.7000110.2I673 L676 H692 S693 F699I673-I695 HydrophobicContact CD1-CG2 4.07Å; I673-I695 HydrophobicContact CG1-CG2 3.55Å; L676-I695 HydrophobicContact CD1-CD1 3.1Å; H692-I695 HydrophobicContact CB-CB 4.21Å; H692-I695 HydrophobicContact CB-CD1 3.73Å; H692-I695 HydrophobicContact CB-CG1 4Å; S693-I695 PolarHBondContact O-N 3.18Å; I695-F699 WeakPolarHBondContact O-CB 3.35Å; I695-F699 PolarHBondContact O-N 3.22Å
696L90.1Very high87.9Confident9 Ų929.4 Ų29.45%0.04714%0.142CC..Hα-helixtrans-66.3-39.5177.7-172.162.3000111.7L687 H692 S693 E694 T700 L746 E749 F750L687-L696 HydrophobicContact CB-CD1 3.93Å; L687-L696 HydrophobicContact CD1-CD1 4.42Å; L687-L696 HydrophobicContact CD2-CD1 3.97Å; L687-L696 HydrophobicContact CG-CD1 4.32Å; H692-L696 PolarHBondContact O-N 3.34Å; S693-L696 PolarHBondContact O-N 3.12Å; E694-L696 VanDerWaalsContact C-N 3.28Å; E694-L696 PolarHBondContact O-N 3.35Å; L696-T700 VanDerWaalsContact O-CB 3.28Å; L696-T700 WeakPolarHBondContact O-CB 3.44Å; L696-T700 PolarHBondContact O-N 3.15Å; L696-T700 VanDerWaalsContact O-N 3.08Å; L696-T700 PolarHBondContact O-OG1 3.14Å; L696-L746 HydrophobicContact CD2-CD2 4.15Å; L696-L746 HydrophobicContact CG-CD2 3.8Å; L696-E749 HydrophobicContact CD2-CB 3.87Å; L696-E749 HydrophobicContact CD2-CG 4.14Å; L696-F750 HydrophobicContact CB-CE1 4.3Å; L696-F750 HydrophobicContact CD2-CE1 3.87Å; L696-F750 HydrophobicContact CD2-CZ 4.43Å; L696-F750 HydrophobicContact CG-CE1 4.43Å
697I91.3Very high88.4Confident0 Ų031.2 Ų31.20%015%0.152CC..Hα-helixtrans-62-59.6173.5-65.3176000110L588 V618 F623 S693 E694 F699 T700 E701 F750L588-I697 HydrophobicContact CD1-CD1 4.38Å; L588-I697 HydrophobicContact CD1-CG2 4.35Å; L588-I697 HydrophobicContact CD2-CD1 3.9Å; V618-I697 HydrophobicContact CB-CD1 4.35Å; V618-I697 HydrophobicContact CG1-CD1 4.08Å; V618-I697 HydrophobicContact CG1-CG2 4.21Å; F623-I697 HydrophobicContact CE2-CG2 4.11Å; F623-I697 HydrophobicContact CZ-CG2 4.25Å; S693-I697 WeakPolarHBondContact O-CG1 3.39Å; S693-I697 PolarHBondContact O-N 3.05Å; E694-I697 PolarHBondContact O-N 3.42Å; I697-F699 VanDerWaalsContact C-N 3.28Å; I697-F699 PolarHBondContact O-N 2.76Å; I697-T700 PolarHBondContact O-N 2.83Å; I697-E701 VanDerWaalsContact O-CB 3.29Å; I697-E701 WeakPolarHBondContact O-CB 3.28Å; I697-E701 PolarHBondContact O-N 2.97Å; I697-F750 HydrophobicContact CD1-CE2 3.69Å; I697-F750 HydrophobicContact CD1-CZ 3.81Å; I697-F750 HydrophobicContact CG1-CE1 4.43Å; I697-F750 HydrophobicContact CG1-CE2 3.55Å; I697-F750 HydrophobicContact CG1-CZ 3.29Å
698I88.3Confident88.9Confident65 Ų6530.7 Ų30.733%0.33315%0.149SC..Hα-helixtrans-58.1-42.8-174-65.5164.6000110.6A669 E694 E701 D702A669-I698 HydrophobicContact CB-CG2 4.32Å; E694-I698 VanDerWaalsContact O-CG1 3.3Å; E694-I698 WeakPolarHBondContact O-CG1 3.49Å; E694-I698 PolarHBondContact O-N 2.83Å; I698-E701 PolarHBondContact O-N 3.43Å; I698-D702 WeakPolarHBondContact O-CB 3.35Å; I698-D702 PolarHBondContact O-N 3.2Å
699F90.2Very high89.7Confident21 Ų2125.3 Ų25.39%0.09212%0.124CC..Hα-helixtrans-63.3-44.9176.4174.3-97.4000112.5L666 I670 I673 L683 L687 I695 I697 F703L666-F699 HydrophobicContact CD1-CD2 4.03Å; L666-F699 HydrophobicContact CD1-CE2 4.08Å; I670-F699 HydrophobicContact CG1-CD2 4.45Å; I670-F699 HydrophobicContact CG1-CE2 4.14Å; I673-F699 HydrophobicContact CD1-CB 4.05Å; I673-F699 HydrophobicContact CD1-CD2 3.69Å; I673-F699 HydrophobicContact CD1-CE2 4.44Å; I673-F699 HydrophobicContact CD1-CG 3.95Å; L683-F699 HydrophobicContact CD2-CE2 4.18Å; L683-F699 HydrophobicContact CD2-CZ 3.78Å; L687-F699 HydrophobicContact CD1-CD1 3.52Å; L687-F699 HydrophobicContact CD1-CE1 3.41Å; L687-F699 VanDerWaalsContact CD1-CE1 3.41Å; L687-F699 HydrophobicContact CD1-CG 4.33Å; L687-F699 HydrophobicContact CD1-CZ 4.15Å; L687-F699 HydrophobicContact CD2-CD1 4.37Å; I695-F699 WeakPolarHBondContact O-CB 3.35Å; I695-F699 PolarHBondContact O-N 3.22Å; I697-F699 VanDerWaalsContact C-N 3.28Å; I697-F699 PolarHBondContact O-N 2.76Å; F699-F703 WeakPolarHBondContact O-CB 3.32Å; F699-F703 PolarHBondContact O-N 3.26Å
700T90.7Very high90.4Very high12 Ų1225.4 Ų25.47%0.07413%0.129CC..Hα-helixtrans-68.7-38-179.7-56.10000111.2L696 I697 C704 A742 L746L696-T700 VanDerWaalsContact O-CB 3.28Å; L696-T700 WeakPolarHBondContact O-CB 3.44Å; L696-T700 PolarHBondContact O-N 3.15Å; L696-T700 VanDerWaalsContact O-N 3.08Å; L696-T700 PolarHBondContact O-OG1 3.14Å; I697-T700 PolarHBondContact O-N 2.83Å; T700-C704 VanDerWaalsContact O-CB 3.28Å; T700-C704 WeakPolarHBondContact O-CB 3.46Å; T700-C704 PolarHBondContact O-N 3.06Å; T700-C704 PolarHBondContact O-SG 2.93Å; T700-A742 HydrophobicContact CG2-CB 3.94Å; T700-L746 HydrophobicContact CG2-CD1 4.06Å; T700-L746 HydrophobicContact CG2-CD2 4.27Å; T700-L746 HydrophobicContact CG2-CG 4.16Å
701E89.7Confident91Very high4 Ų427 Ų272%0.01914%0.136CC..Hα-helixtrans-57.9-64173.9-169.4171.9125.200110.1D581 N584 F623 I697 I698 F703 C704 A705D581-E701 HydrophobicContact CB-CG 4.49Å; D581-E701 VanDerWaalsContact CB-OE1 3.25Å; D581-E701 WeakPolarHBondContact CB-OE1 3.1Å; D581-E701 WeakPolarHBondContact OD1-CG 3.21Å; N584-E701 PolarHBondContact ND2-OE2 3.31Å; F623-E701 HydrophobicContact CE1-CB 4.49Å; F623-E701 HydrophobicContact CZ-CB 3.93Å; F623-E701 HydrophobicContact CZ-CG 4.06Å; I697-E701 VanDerWaalsContact O-CB 3.29Å; I697-E701 WeakPolarHBondContact O-CB 3.28Å; I697-E701 PolarHBondContact O-N 2.97Å; I698-E701 PolarHBondContact O-N 3.43Å; E701-F703 PolarHBondContact O-N 2.97Å; E701-C704 PolarHBondContact O-N 3.38Å; E701-C704 VanDerWaalsContact O-N 3.1Å; E701-A705 WeakPolarHBondContact O-CB 3.36Å; E701-A705 PolarHBondContact O-N 2.91Å
702D90.4Very high91.3Very high12 Ų1225.2 Ų25.26%0.06413%0.129CC..Hα-helixtrans-61.4-33.5-176.9-72.2-8.4000112.1S665 L666 I698 V706S665-D702 VanDerWaalsContact C-OD2 3.31Å; S665-D702 VanDerWaalsContact CB-OD2 3.29Å; S665-D702 WeakPolarHBondContact CB-OD2 3.06Å; S665-D702 PolarHBondContact OG-OD2 2.98Å; L666-D702 HydrophobicContact CB-CB 3.96Å; L666-D702 HydrophobicContact CD1-CB 3.93Å; L666-D702 HydrophobicContact CG-CB 4.49Å; L666-D702 PolarHBondContact N-OD2 3.4Å; I698-D702 WeakPolarHBondContact O-CB 3.35Å; I698-D702 PolarHBondContact O-N 3.2Å; D702-V706 VanDerWaalsContact O-CG2 3.29Å; D702-V706 WeakPolarHBondContact O-CG2 3.45Å; D702-V706 PolarHBondContact O-N 3.31Å; D702-V706 VanDerWaalsContact O-N 3.14Å
703F91.8Very high91.6Very high101 Ų10124 Ų2444%0.44312%0.124SC..Hα-helixtrans-69.1-45.9175.6-178.2-104.4000112.2L666 F699 E701 I707L666-F703 HydrophobicContact CD1-CB 4.38Å; F699-F703 WeakPolarHBondContact O-CB 3.32Å; F699-F703 PolarHBondContact O-N 3.26Å; E701-F703 PolarHBondContact O-N 2.97Å; F703-I707 HydrophobicContact CD1-CD1 3.92Å; F703-I707 HydrophobicContact CE1-CD1 3.41Å; F703-I707 VanDerWaalsContact CE1-CD1 3.41Å; F703-I707 HydrophobicContact CE2-CD1 4.07Å; F703-I707 HydrophobicContact CG-CD1 4.46Å; F703-I707 HydrophobicContact CZ-CD1 3.5Å; F703-I707 WeakPolarHBondContact O-CG1 3.15Å; F703-I707 PolarHBondContact O-N 3.08Å
704C92.8Very high91.9Very high9 Ų928.1 Ų28.16%0.06115%0.145CC..Hα-helixtrans-65.5-40.5176.1-70.30000111T700 E701 I707 G708 M738 L739T700-C704 VanDerWaalsContact O-CB 3.28Å; T700-C704 WeakPolarHBondContact O-CB 3.46Å; T700-C704 PolarHBondContact O-N 3.06Å; T700-C704 PolarHBondContact O-SG 2.93Å; E701-C704 PolarHBondContact O-N 3.38Å; E701-C704 VanDerWaalsContact O-N 3.1Å; C704-I707 PolarHBondContact O-N 2.91Å; C704-G708 PolarHBondContact O-N 3.33Å; C704-M738 HydrophobicContact CB-CE 4.02Å; C704-M738 HydrophobicContact CB-SD 4.42Å; C704-M738 WeakPolarHBondContact O-CE 3.45Å; C704-L739 HydrophobicContact CB-CD2 4.43Å
705A91.5Very high92.2Very high1 Ų127.2 Ų27.21%0.00814%0.142CC..Hα-helixtrans-62.7-45.9-178.800000111.6E662 E701 I707 G708 L709E662-A705 WeakPolarHBondContact OE2-CB 3.45Å; E701-A705 WeakPolarHBondContact O-CB 3.36Å; E701-A705 PolarHBondContact O-N 2.91Å; A705-I707 PolarHBondContact O-N 3.2Å; A705-G708 PolarHBondContact O-N 2.98Å; A705-G708 VanDerWaalsContact O-N 3.14Å; A705-L709 WeakPolarHBondContact O-CG 3.19Å; A705-L709 PolarHBondContact O-N 2.97Å
706V92.9Very high92.4Very high31 Ų3126.6 Ų26.619%0.18814%0.139CC..Hα-helixtrans-61.1-42.8174.9171.10000112.1E662 L666 D702 G708 V710E662-V706 HydrophobicContact CB-CG2 4.18Å; L666-V706 HydrophobicContact CD2-CG2 4.25Å; D702-V706 VanDerWaalsContact O-CG2 3.29Å; D702-V706 WeakPolarHBondContact O-CG2 3.45Å; D702-V706 PolarHBondContact O-N 3.31Å; D702-V706 VanDerWaalsContact O-N 3.14Å; V706-G708 VanDerWaalsContact C-N 3.34Å; V706-V710 WeakPolarHBondContact O-CG2 3.38Å; V706-V710 PolarHBondContact O-N 3.48Å; V706-V710 VanDerWaalsContact O-N 3.15Å
707I94.9Very high92.5Very high61 Ų6129.1 Ų29.131%0.31315%0.152SC..Hα-helixtrans-65.7-41176.1-67172.7000110.5F703 C704 A705 V710 L711 M738F703-I707 HydrophobicContact CD1-CD1 3.92Å; F703-I707 HydrophobicContact CE1-CD1 3.41Å; F703-I707 VanDerWaalsContact CE1-CD1 3.41Å; F703-I707 HydrophobicContact CE2-CD1 4.07Å; F703-I707 HydrophobicContact CG-CD1 4.46Å; F703-I707 HydrophobicContact CZ-CD1 3.5Å; F703-I707 WeakPolarHBondContact O-CG1 3.15Å; F703-I707 PolarHBondContact O-N 3.08Å; C704-I707 PolarHBondContact O-N 2.91Å; A705-I707 PolarHBondContact O-N 3.2Å; I707-V710 PolarHBondContact O-N 3.08Å; I707-L711 HydrophobicContact CG2-CD1 4.11Å; I707-L711 HydrophobicContact CG2-CG 4.37Å; I707-L711 WeakPolarHBondContact O-CG 3.39Å; I707-L711 PolarHBondContact O-N 3.39Å; I707-M738 HydrophobicContact CB-CE 4.42Å; I707-M738 HydrophobicContact CB-SD 3.93Å; I707-M738 HydrophobicContact CG2-CE 4.38Å; I707-M738 HydrophobicContact CG2-SD 3.58Å; I707-M738 VanDerWaalsContact CG2-SD 3.58Å
708G94Very high92.6Very high0 Ų032.4 Ų32.40%017%0.169CC..Hα-helixtrans-60.9-46.5179.300000111.8E574 C704 A705 V706 V710 L711 A712E574-G708 WeakPolarHBondContact OE1-CA 3.27Å; C704-G708 PolarHBondContact O-N 3.33Å; A705-G708 PolarHBondContact O-N 2.98Å; A705-G708 VanDerWaalsContact O-N 3.14Å; V706-G708 VanDerWaalsContact C-N 3.34Å; G708-V710 VanDerWaalsContact C-N 3.33Å; G708-V710 PolarHBondContact O-N 2.53Å; G708-L711 WeakPolarHBondContact O-CB 3.4Å; G708-L711 PolarHBondContact O-N 2.97Å; G708-L711 VanDerWaalsContact O-N 3.14Å; G708-A712 WeakPolarHBondContact O-CB 3.27Å; G708-A712 PolarHBondContact O-N 3.47Å
709L93.9Very high92.7Very high0 Ų029.8 Ų29.80%016%0.157CC..Hα-helixtrans-60.7-39.8174.1-71176.6000112.8E574 L655 I659 E662 A705 A712 I713E574-L709 HydrophobicContact CG-CD2 4.23Å; E574-L709 PolarHBondContact OE1-N 3.06Å; E574-L709 VanDerWaalsContact OE2-CD2 3.32Å; E574-L709 WeakPolarHBondContact OE2-CD2 3.38Å; L655-L709 HydrophobicContact CD2-CD2 3.58Å; I659-L709 HydrophobicContact CB-CD1 4.36Å; I659-L709 HydrophobicContact CD1-CB 4.03Å; I659-L709 HydrophobicContact CG1-CB 3.51Å; I659-L709 HydrophobicContact CG1-CD1 3.67Å; I659-L709 HydrophobicContact CG1-CG 4.24Å; I659-L709 VanDerWaalsContact N-CD1 3.32Å; E662-L709 WeakPolarHBondContact OE2-CD1 3.44Å; A705-L709 WeakPolarHBondContact O-CG 3.19Å; A705-L709 PolarHBondContact O-N 2.97Å; L709-A712 PolarHBondContact O-N 2.93Å; L709-I713 VanDerWaalsContact O-CG1 3.3Å; L709-I713 WeakPolarHBondContact O-CG1 3.48Å; L709-I713 PolarHBondContact O-N 2.74Å
710V95.6Very high92.7Very high66 Ų6633.1 Ų33.140%0.417%0.173SC..Hα-helixtrans-64.4-43.7174.7171.20000111I659 V706 I707 G708 A712 I713 I714I659-V710 HydrophobicContact CD1-CG2 4.08Å; V706-V710 WeakPolarHBondContact O-CG2 3.38Å; V706-V710 PolarHBondContact O-N 3.48Å; V706-V710 VanDerWaalsContact O-N 3.15Å; I707-V710 PolarHBondContact O-N 3.08Å; G708-V710 VanDerWaalsContact C-N 3.33Å; G708-V710 PolarHBondContact O-N 2.53Å; V710-A712 VanDerWaalsContact C-N 3.34Å; V710-A712 PolarHBondContact O-N 3.34Å; V710-I713 PolarHBondContact O-N 2.89Å; V710-I714 HydrophobicContact CG1-CD1 3.91Å; V710-I714 VanDerWaalsContact O-CG1 3.29Å; V710-I714 WeakPolarHBondContact O-CG1 3.34Å; V710-I714 PolarHBondContact O-N 3.23Å
711L95.4Very high92.7Very high45 Ų4539 Ų3924%0.23620%0.204CC..Hα-helixtrans-61.8-41.7175.4-70.4173.3000111.6I707 G708 I714 G715 S731 L734 I735I707-L711 HydrophobicContact CG2-CD1 4.11Å; I707-L711 HydrophobicContact CG2-CG 4.37Å; I707-L711 WeakPolarHBondContact O-CG 3.39Å; I707-L711 PolarHBondContact O-N 3.39Å; G708-L711 WeakPolarHBondContact O-CB 3.4Å; G708-L711 PolarHBondContact O-N 2.97Å; G708-L711 VanDerWaalsContact O-N 3.14Å; L711-I714 PolarHBondContact O-N 3.4Å; L711-G715 PolarHBondContact O-N 2.96Å; L711-S731 WeakPolarHBondContact O-CB 3.26Å; L711-L734 HydrophobicContact CD1-CB 4.2Å; L711-L734 HydrophobicContact CD2-CD1 4.49Å; L711-I735 HydrophobicContact CB-CD1 4.46Å; L711-I735 HydrophobicContact CB-CG1 4.18Å; L711-I735 HydrophobicContact CD1-CG1 4.28Å
712A93.4Very high92.7Very high0 Ų042.5 Ų42.50%023%0.226CC..Hα-helixtrans-62.8-44.7176.300000111.4A570 E574 L655 G708 L709 V710 I714 G715 T716 I735A570-A712 HydrophobicContact CB-CB 3.95Å; E574-A712 HydrophobicContact CG-CB 4.15Å; L655-A712 HydrophobicContact CD1-CB 3.83Å; L655-A712 HydrophobicContact CD2-CB 3.82Å; L655-A712 HydrophobicContact CG-CB 4.5Å; G708-A712 WeakPolarHBondContact O-CB 3.27Å; G708-A712 PolarHBondContact O-N 3.47Å; L709-A712 PolarHBondContact O-N 2.93Å; V710-A712 VanDerWaalsContact C-N 3.34Å; V710-A712 PolarHBondContact O-N 3.34Å; A712-I714 VanDerWaalsContact C-N 3.34Å; A712-I714 PolarHBondContact O-N 3.45Å; A712-G715 PolarHBondContact O-N 3.33Å; A712-T716 WeakPolarHBondContact O-CB 3.43Å; A712-T716 PolarHBondContact O-N 3.22Å; A712-T716 PolarHBondContact O-OG1 2.77Å; A712-I735 HydrophobicContact CB-CD1 4.18Å
713I94.8Very high92.4Very high28 Ų2845 Ų4514%0.14426%0.255CS..Hα-helixtrans-59.2-46.2175.5-72.3178.6000110.7L652 L655 V656 I659 L709 V710 L717L652-I713 HydrophobicContact CD1-CB 4.3Å; L652-I713 HydrophobicContact CD1-CD1 4.37Å; L652-I713 HydrophobicContact CD1-CG1 3.94Å; L652-I713 HydrophobicContact CD1-CG2 3.75Å; L655-I713 HydrophobicContact CB-CD1 4.05Å; L655-I713 HydrophobicContact CB-CG1 3.63Å; L655-I713 HydrophobicContact CD1-CG1 3.72Å; L655-I713 HydrophobicContact CG-CG1 4.3Å; V656-I713 HydrophobicContact CG2-CD1 4.08Å; I659-I713 HydrophobicContact CD1-CD1 3.4Å; I659-I713 VanDerWaalsContact CD1-CD1 3.4Å; L709-I713 VanDerWaalsContact O-CG1 3.3Å; L709-I713 WeakPolarHBondContact O-CG1 3.48Å; L709-I713 PolarHBondContact O-N 2.74Å; V710-I713 PolarHBondContact O-N 2.89Å; I713-L717 HydrophobicContact CG2-CD1 3.67Å; I713-L717 HydrophobicContact CG2-CG 4.26Å; I713-L717 VanDerWaalsContact O-CB 3.27Å; I713-L717 WeakPolarHBondContact O-CB 3.46Å; I713-L717 VanDerWaalsContact O-CG 3.24Å; I713-L717 WeakPolarHBondContact O-CG 3.49Å; I713-L717 PolarHBondContact O-N 2.74Å
714I95.2Very high92.2Very high86 Ų8643.2 Ų43.244%0.44125%0.249SC..Hα-helixtrans-62.3-46.2178.6-67.4166.2000110.4V710 L711 A712 L717 L718V710-I714 HydrophobicContact CG1-CD1 3.91Å; V710-I714 VanDerWaalsContact O-CG1 3.29Å; V710-I714 WeakPolarHBondContact O-CG1 3.34Å; V710-I714 PolarHBondContact O-N 3.23Å; L711-I714 PolarHBondContact O-N 3.4Å; A712-I714 VanDerWaalsContact C-N 3.34Å; A712-I714 PolarHBondContact O-N 3.45Å; I714-L717 PolarHBondContact O-N 3.31Å; I714-L718 HydrophobicContact CG2-CD1 3.83Å; I714-L718 HydrophobicContact CG2-CG 4.36Å; I714-L718 WeakPolarHBondContact O-CB 3.27Å; I714-L718 VanDerWaalsContact O-CG 3.27Å; I714-L718 WeakPolarHBondContact O-CG 3.46Å; I714-L718 PolarHBondContact O-N 3.34Å
715G92.8Very high91.9Very high3 Ų343.8 Ų43.83%0.03125%0.253CS..Hα-helixtrans-61.4-46.4178.900000113.1L711 A712 T719L711-G715 PolarHBondContact O-N 2.96Å; A712-G715 PolarHBondContact O-N 3.33Å; G715-T719 WeakPolarHBondContact O-CB 3.35Å; G715-T719 PolarHBondContact O-N 3.42Å; G715-T719 PolarHBondContact O-OG1 2.9Å
716T91.4Very high91.8Very high4 Ų447.8 Ų47.83%0.02527%0.273CS..Hα-helixtrans-67.4-41177.7-55.50000111.8V645 P648 V651 A712 T719 M720 D728V645-T716 HydrophobicContact CG1-CG2 4.48Å; P648-T716 HydrophobicContact CB-CG2 4.19Å; V651-T716 HydrophobicContact CB-CG2 4.32Å; V651-T716 HydrophobicContact CG1-CG2 3.99Å; A712-T716 WeakPolarHBondContact O-CB 3.43Å; A712-T716 PolarHBondContact O-N 3.22Å; A712-T716 PolarHBondContact O-OG1 2.77Å; T716-T719 PolarHBondContact O-N 3.24Å; T716-M720 WeakPolarHBondContact O-CB 3.38Å; T716-M720 PolarHBondContact O-N 3.42Å; T716-D728 PolarHBondContact OG1-OD1 3.22Å
717L92.6Very high91.8Very high63 Ų6349.8 Ų49.833%0.3328%0.279SS..Hα-helixtrans-65-43.3176.5-76.7174.8000112.1L652 I713 I714 T719 M720 L721L652-L717 HydrophobicContact CD1-CG 4.47Å; L652-L717 HydrophobicContact CD2-CD2 4.08Å; I713-L717 HydrophobicContact CG2-CD1 3.67Å; I713-L717 HydrophobicContact CG2-CG 4.26Å; I713-L717 VanDerWaalsContact O-CB 3.27Å; I713-L717 WeakPolarHBondContact O-CB 3.46Å; I713-L717 VanDerWaalsContact O-CG 3.24Å; I713-L717 WeakPolarHBondContact O-CG 3.49Å; I713-L717 PolarHBondContact O-N 2.74Å; I714-L717 PolarHBondContact O-N 3.31Å; L717-T719 VanDerWaalsContact C-N 3.32Å; L717-T719 PolarHBondContact O-N 2.89Å; L717-M720 HydrophobicContact CD2-CE 3.93Å; L717-M720 PolarHBondContact O-N 3.44Å; L717-L721 WeakPolarHBondContact O-CB 3.27Å; L717-L721 WeakPolarHBondContact O-CG 3.26Å; L717-L721 PolarHBondContact O-N 3.28Å
718L92.8Very high91.6Very high68 Ų6846.9 Ų46.936%0.35626%0.264SS..Hα-helixtrans-63.5-39.8176-73.6173.8000111.5I714 M720 L721 T722 F727I714-L718 HydrophobicContact CG2-CD1 3.83Å; I714-L718 HydrophobicContact CG2-CG 4.36Å; I714-L718 WeakPolarHBondContact O-CB 3.27Å; I714-L718 VanDerWaalsContact O-CG 3.27Å; I714-L718 WeakPolarHBondContact O-CG 3.46Å; I714-L718 PolarHBondContact O-N 3.34Å; L718-M720 VanDerWaalsContact C-N 3.35Å; L718-L721 PolarHBondContact O-N 2.9Å; L718-T722 WeakPolarHBondContact O-CB 3.28Å; L718-T722 WeakPolarHBondContact O-CG2 3.28Å; L718-T722 PolarHBondContact O-N 2.91Å; L718-T722 PolarHBondContact O-OG1 3.46Å; L718-F727 HydrophobicContact CB-CB 3.77Å; L718-F727 HydrophobicContact CB-CD1 4.24Å; L718-F727 HydrophobicContact CB-CD2 4.08Å; L718-F727 HydrophobicContact CB-CG 3.78Å; L718-F727 HydrophobicContact CD1-CD1 3.94Å; L718-F727 HydrophobicContact CD1-CE1 4.44Å; L718-F727 HydrophobicContact CD1-CG 4.32Å
719T90.9Very high91.5Very high11 Ų1146.9 Ų46.97%0.06726%0.264CS..Hα-helixtrans-62.1-42.9174.2-600000111.4V645 G715 T716 L717 G723 N724 P725 D728V645-T719 HydrophobicContact CB-CG2 4.33Å; V645-T719 HydrophobicContact CG2-CG2 3.89Å; G715-T719 WeakPolarHBondContact O-CB 3.35Å; G715-T719 PolarHBondContact O-N 3.42Å; G715-T719 PolarHBondContact O-OG1 2.9Å; T716-T719 PolarHBondContact O-N 3.24Å; L717-T719 VanDerWaalsContact C-N 3.32Å; L717-T719 PolarHBondContact O-N 2.89Å; T719-G723 VanDerWaalsContact O-CA 3.26Å; T719-G723 WeakPolarHBondContact O-CA 3.05Å; T719-G723 PolarHBondContact O-N 3.27Å; T719-N724 PolarHBondContact OG1-O 3.07Å; T719-P725 HydrophobicContact CG2-CB 4.38Å; T719-D728 WeakPolarHBondContact OG1-CB 3.43Å; T719-D728 PolarHBondContact OG1-N 3.28Å; T719-D728 VanDerWaalsContact OG1-N 3.11Å
720M89.3Confident91.5Very high90 Ų9050.6 Ų50.644%0.44328%0.284SS..Hα-helixtrans-66.2-37.3178-170.4179.473.700112.8P648 T716 L717 L718P648-M720 HydrophobicContact CB-CB 4.45Å; P648-M720 HydrophobicContact CB-CG 4.32Å; P648-M720 HydrophobicContact CB-SD 4.04Å; P648-M720 HydrophobicContact CG-CG 4.03Å; P648-M720 HydrophobicContact CG-SD 3.87Å; T716-M720 WeakPolarHBondContact O-CB 3.38Å; T716-M720 PolarHBondContact O-N 3.42Å; L717-M720 HydrophobicContact CD2-CE 3.93Å; L717-M720 PolarHBondContact O-N 3.44Å; L718-M720 VanDerWaalsContact C-N 3.35Å
721L90.5Very high91.4Very high137 Ų13747.8 Ų47.872%0.71727%0.267SS*.Hα-helixtrans-81.1-35.4-178.6-69.9173.6000113.5L717 L718L717-L721 WeakPolarHBondContact O-CB 3.27Å; L717-L721 WeakPolarHBondContact O-CG 3.26Å; L717-L721 PolarHBondContact O-N 3.28Å; L718-L721 PolarHBondContact O-N 2.9Å
722T89.5Confident91.3Very high77 Ų7745.6 Ų45.647%0.47226%0.255SS..Hα-helixtrans-96.9-17.6-176.163.30000113.5L718 N724 F727L718-T722 WeakPolarHBondContact O-CB 3.28Å; L718-T722 WeakPolarHBondContact O-CG2 3.28Å; L718-T722 PolarHBondContact O-N 2.91Å; L718-T722 PolarHBondContact O-OG1 3.46Å; T722-N724 PolarHBondContact O-N 3.49Å; T722-N724 PolarHBondContact OG1-N 3.2Å; T722-F727 HydrophobicContact CG2-CD2 4.49Å; T722-F727 HydrophobicContact CG2-CE2 3.93Å; T722-F727 WeakPolarHBondContact OG1-CD2 3.16Å; T722-F727 WeakPolarHBondContact OG1-CE2 3.47Å
723G84.1Confident91.4Very high65 Ų6547.2 Ų47.267%0.6726%0.264SS*.  trans69.66.7-170.100000113.9T719 P725T719-G723 VanDerWaalsContact O-CA 3.26Å; T719-G723 WeakPolarHBondContact O-CA 3.05Å; T719-G723 PolarHBondContact O-N 3.27Å; G723-P725 WeakPolarHBondContact O-CD 3.43Å
724N88.3Confident91.4Very high62 Ų6249.8 Ų49.833%0.33228%0.277SS..  trans-100.1110.7-178.7-173.8-9.2000111T719 T722 M726 F727T719-N724 PolarHBondContact OG1-O 3.07Å; T722-N724 PolarHBondContact O-N 3.49Å; T722-N724 PolarHBondContact OG1-N 3.2Å; N724-M726 PolarHBondContact O-N 3.31Å; N724-M726 VanDerWaalsContact OD1-CB 3.26Å; N724-M726 WeakPolarHBondContact OD1-CB 3.31Å; N724-M726 WeakPolarHBondContact OD1-CG 3.38Å; N724-M726 PolarHBondContact OD1-N 3.22Å; N724-F727 HydrophobicContact CB-CD2 4.14Å; N724-F727 HydrophobicContact CB-CE2 4.14Å; N724-F727 PolarHBondContact O-N 2.78Å
725P86.2Confident91.3Very high22 Ų2245.7 Ų45.714%0.14326%0.256CS..THydrogen-bonded Turntrans-68.7-11.3-178.630-36.2000114.3H643 T719 G723 F727 D728 A729H643-P725 PolarHBondContact NE2-O 3.46Å; H643-P725 WeakPolarHBondContact O-CB 3.34Å; H643-P725 WeakPolarHBondContact O-CG 3.29Å; T719-P725 HydrophobicContact CG2-CB 4.38Å; G723-P725 WeakPolarHBondContact O-CD 3.43Å; P725-F727 PolarHBondContact O-N 3.16Å; P725-D728 PolarHBondContact O-N 3.31Å; P725-D728 VanDerWaalsContact O-N 3.17Å; P725-A729 PolarHBondContact O-N 3.08Å
726M89.9Confident91.4Very high85 Ų8545.6 Ų45.642%0.41926%0.255SS..Hα-helixtrans-59.3-28.8176.7-67.6-176.776.500113.4N724 A729 L730N724-M726 PolarHBondContact O-N 3.31Å; N724-M726 VanDerWaalsContact OD1-CB 3.26Å; N724-M726 WeakPolarHBondContact OD1-CB 3.31Å; N724-M726 WeakPolarHBondContact OD1-CG 3.38Å; N724-M726 PolarHBondContact OD1-N 3.22Å; M726-A729 PolarHBondContact O-N 3.45Å; M726-L730 VanDerWaalsContact O-CB 3.28Å; M726-L730 WeakPolarHBondContact O-CB 3.39Å; M726-L730 PolarHBondContact O-N 2.79Å
727F92.4Very high91.6Very high72 Ų7250.3 Ų50.332%0.31628%0.278SS..Hα-helixtrans-68.8-36.6178.7-69.1-69.8000112.4L718 T722 N724 P725 S731L718-F727 HydrophobicContact CB-CB 3.77Å; L718-F727 HydrophobicContact CB-CD1 4.24Å; L718-F727 HydrophobicContact CB-CD2 4.08Å; L718-F727 HydrophobicContact CB-CG 3.78Å; L718-F727 HydrophobicContact CD1-CD1 3.94Å; L718-F727 HydrophobicContact CD1-CE1 4.44Å; L718-F727 HydrophobicContact CD1-CG 4.32Å; T722-F727 HydrophobicContact CG2-CD2 4.49Å; T722-F727 HydrophobicContact CG2-CE2 3.93Å; T722-F727 WeakPolarHBondContact OG1-CD2 3.16Å; T722-F727 WeakPolarHBondContact OG1-CE2 3.47Å; N724-F727 HydrophobicContact CB-CD2 4.14Å; N724-F727 HydrophobicContact CB-CE2 4.14Å; N724-F727 PolarHBondContact O-N 2.78Å; P725-F727 PolarHBondContact O-N 3.16Å; F727-S731 PolarHBondContact O-N 2.98Å
728D91.1Very high91.7Very high0 Ų049 Ų490%027%0.271CS..Hα-helixtrans-66.2-47174.1-173.788.8000110.6S568 A569 A570 V645 T716 T719 P725 L730 S731 G732S568-D728 WeakPolarHBondContact CA-OD2 3.41Å; S568-D728 VanDerWaalsContact OG-CG 3.24Å; S568-D728 PolarHBondContact OG-OD1 3.03Å; S568-D728 PolarHBondContact OG-OD2 2.75Å; A569-D728 WeakPolarHBondContact CA-OD2 3.01Å; A569-D728 WeakPolarHBondContact CB-OD2 3.42Å; A569-D728 PolarHBondContact N-OD2 3.05Å; A570-D728 WeakPolarHBondContact CB-OD1 3.3Å; A570-D728 PolarHBondContact N-OD2 3.03Å; A570-D728 VanDerWaalsContact N-OD2 3.08Å; V645-D728 HydrophobicContact CG2-CB 4.21Å; T716-D728 PolarHBondContact OG1-OD1 3.22Å; T719-D728 WeakPolarHBondContact OG1-CB 3.43Å; T719-D728 PolarHBondContact OG1-N 3.28Å; T719-D728 VanDerWaalsContact OG1-N 3.11Å; P725-D728 PolarHBondContact O-N 3.31Å; P725-D728 VanDerWaalsContact O-N 3.17Å; D728-L730 PolarHBondContact O-N 2.9Å; D728-S731 PolarHBondContact O-N 3.21Å; D728-S731 PolarHBondContact O-OG 3.04Å; D728-G732 PolarHBondContact O-N 3Å
729A92Very high91.7Very high0 Ų046 Ų460%026%0.255CS..Hα-helixtrans-61.1-40.2175.300000113A569 K637 L638 P725 M726 G732 L733A569-A729 HydrophobicContact CB-CB 4.25Å; K637-A729 HydrophobicContact CB-CB 4.11Å; L638-A729 HydrophobicContact CD1-CB 3.76Å; L638-A729 HydrophobicContact CG-CB 4.1Å; P725-A729 PolarHBondContact O-N 3.08Å; M726-A729 PolarHBondContact O-N 3.45Å; A729-G732 PolarHBondContact O-N 3.15Å; A729-L733 PolarHBondContact O-N 3.11Å
730L94Very high91.8Very high79 Ų7947.5 Ų47.541%0.41426%0.262SS..Hα-helixtrans-64.5-39.7175.7-176.765.9000112M726 D728 G732 L733 L734M726-L730 VanDerWaalsContact O-CB 3.28Å; M726-L730 WeakPolarHBondContact O-CB 3.39Å; M726-L730 PolarHBondContact O-N 2.79Å; D728-L730 PolarHBondContact O-N 2.9Å; L730-G732 VanDerWaalsContact C-N 3.35Å; L730-L733 HydrophobicContact CD1-CD2 4.37Å; L730-L733 WeakPolarHBondContact O-CB 3.49Å; L730-L733 PolarHBondContact O-N 3.04Å; L730-L734 WeakPolarHBondContact O-CG 3.28Å; L730-L734 PolarHBondContact O-N 3.46Å
731S94Very high92.1Very high6 Ų650.3 Ų50.34%0.04227%0.272CS..Hα-helixtrans-63.5-42.3174.670.70000111.5A570 L711 F727 D728 L733 L734 I735A570-S731 WeakPolarHBondContact CB-OG 3.44Å; L711-S731 WeakPolarHBondContact O-CB 3.26Å; F727-S731 PolarHBondContact O-N 2.98Å; D728-S731 PolarHBondContact O-N 3.21Å; D728-S731 PolarHBondContact O-OG 3.04Å; S731-L733 VanDerWaalsContact C-N 3.32Å; S731-L733 PolarHBondContact O-N 3.43Å; S731-L734 PolarHBondContact O-N 2.94Å; S731-I735 WeakPolarHBondContact O-CD1 3.23Å; S731-I735 VanDerWaalsContact O-CG1 3.23Å; S731-I735 WeakPolarHBondContact O-CG1 3.38Å; S731-I735 PolarHBondContact O-N 3.04Å
732G92.4Very high92.3Very high0 Ų044 Ų440%024%0.24CC..Hα-helixtrans-56.1-44.517100000112.3N573 D728 A729 L730 L734 I735 G736N573-G732 PolarHBondContact ND2-O 2.97Å; D728-G732 PolarHBondContact O-N 3Å; A729-G732 PolarHBondContact O-N 3.15Å; L730-G732 VanDerWaalsContact C-N 3.35Å; G732-L734 PolarHBondContact O-N 3.3Å; G732-I735 PolarHBondContact O-N 2.88Å; G732-G736 PolarHBondContact O-N 3.43Å
733L94.6Very high92.5Very high34 Ų3440.5 Ų40.518%0.17822%0.218CC..Hα-helixtrans-60.8-45.8177-177.364.7000112.1I631 A634 V635 L638 A729 L730 S731 I735 G736 M737I631-L733 HydrophobicContact CB-CD1 4.36Å; I631-L733 HydrophobicContact CG1-CD1 4.23Å; I631-L733 HydrophobicContact CG2-CD1 3.85Å; A634-L733 HydrophobicContact CB-CB 3.91Å; A634-L733 HydrophobicContact CB-CD1 4.45Å; V635-L733 HydrophobicContact CG2-CD1 3.95Å; L638-L733 HydrophobicContact CD1-CB 4.48Å; L638-L733 HydrophobicContact CD1-CD2 4.49Å; A729-L733 PolarHBondContact O-N 3.11Å; L730-L733 HydrophobicContact CD1-CD2 4.37Å; L730-L733 WeakPolarHBondContact O-CB 3.49Å; L730-L733 PolarHBondContact O-N 3.04Å; S731-L733 VanDerWaalsContact C-N 3.32Å; S731-L733 PolarHBondContact O-N 3.43Å; L733-I735 PolarHBondContact O-N 3.22Å; L733-G736 PolarHBondContact O-N 3.42Å; L733-M737 HydrophobicContact CG-SD 4.36Å; L733-M737 WeakPolarHBondContact O-CG 3.46Å; L733-M737 PolarHBondContact O-N 3.22Å
734L95.6Very high93Very high82 Ų8242.4 Ų42.443%0.42921%0.212SC..Hα-helixtrans-63.1-40.8178.9-70.4174.1000112.1L711 L730 S731 G732 M737 M738L711-L734 HydrophobicContact CD1-CB 4.2Å; L711-L734 HydrophobicContact CD2-CD1 4.49Å; L730-L734 WeakPolarHBondContact O-CG 3.28Å; L730-L734 PolarHBondContact O-N 3.46Å; S731-L734 PolarHBondContact O-N 2.94Å; G732-L734 PolarHBondContact O-N 3.3Å; L734-M737 PolarHBondContact O-N 3.36Å; L734-M738 WeakPolarHBondContact O-CB 3.33Å; L734-M738 PolarHBondContact O-N 3.23Å
735I93.6Very high93.3Very high0 Ų043.4 Ų43.40%021%0.213CC..Hα-helixtrans-61.4-46.3175.7-65.2161.5000110.2N573 E574 L711 A712 S731 G732 L733 M737 M738 L739N573-I735 HydrophobicContact CB-CG2 4.42Å; N573-I735 WeakPolarHBondContact ND2-CB 3.36Å; E574-I735 HydrophobicContact CG-CD1 4.39Å; L711-I735 HydrophobicContact CB-CD1 4.46Å; L711-I735 HydrophobicContact CB-CG1 4.18Å; L711-I735 HydrophobicContact CD1-CG1 4.28Å; A712-I735 HydrophobicContact CB-CD1 4.18Å; S731-I735 WeakPolarHBondContact O-CD1 3.23Å; S731-I735 VanDerWaalsContact O-CG1 3.23Å; S731-I735 WeakPolarHBondContact O-CG1 3.38Å; S731-I735 PolarHBondContact O-N 3.04Å; G732-I735 PolarHBondContact O-N 2.88Å; L733-I735 PolarHBondContact O-N 3.22Å; I735-M737 PolarHBondContact O-N 2.88Å; I735-M738 WeakPolarHBondContact O-CB 3.05Å; I735-M738 PolarHBondContact O-N 2.96Å; I735-L739 HydrophobicContact CG2-CD1 4.46Å; I735-L739 PolarHBondContact O-N 2.66Å
736G93.4Very high93.6Very high0 Ų042.4 Ų42.40%021%0.207CC..Hα-helixtrans-63.2-42.5179.300000112.5N573 G732 L733 M738 L739 M740N573-G736 WeakPolarHBondContact ND2-CA 3.35Å; N573-G736 PolarHBondContact ND2-N 3.44Å; G732-G736 PolarHBondContact O-N 3.43Å; L733-G736 PolarHBondContact O-N 3.42Å; G736-M738 VanDerWaalsContact C-N 3.35Å; G736-M738 PolarHBondContact O-N 2.99Å; G736-L739 PolarHBondContact O-N 3.24Å; G736-M740 WeakPolarHBondContact O-CG 3.41Å; G736-M740 PolarHBondContact O-N 3.49Å; G736-M740 VanDerWaalsContact O-N 3.07Å
737M95.7Very high93.8Very high104 Ų10439.5 Ų39.551%0.51220%0.196SC..Hα-helixtrans-63.3-39.6174.6-71.8-177.971.900112.5I631 L733 L734 I735 M740 F741I631-M737 HydrophobicContact CD1-CG 3.76Å; I631-M737 HydrophobicContact CG1-CG 4.34Å; L733-M737 HydrophobicContact CG-SD 4.36Å; L733-M737 WeakPolarHBondContact O-CG 3.46Å; L733-M737 PolarHBondContact O-N 3.22Å; L734-M737 PolarHBondContact O-N 3.36Å; I735-M737 PolarHBondContact O-N 2.88Å; M737-M740 PolarHBondContact O-N 2.87Å; M737-F741 PolarHBondContact O-N 2.82Å
738M94.8Very high93.8Very high36 Ų3645.1 Ų45.118%0.17722%0.215CC..Hα-helixtrans-63.1-45.2176.8179.5-179.466.900111.5C704 I707 L734 I735 G736 M740 F741 A742C704-M738 HydrophobicContact CB-CE 4.02Å; C704-M738 HydrophobicContact CB-SD 4.42Å; C704-M738 WeakPolarHBondContact O-CE 3.45Å; I707-M738 HydrophobicContact CB-CE 4.42Å; I707-M738 HydrophobicContact CB-SD 3.93Å; I707-M738 HydrophobicContact CG2-CE 4.38Å; I707-M738 HydrophobicContact CG2-SD 3.58Å; I707-M738 VanDerWaalsContact CG2-SD 3.58Å; L734-M738 WeakPolarHBondContact O-CB 3.33Å; L734-M738 PolarHBondContact O-N 3.23Å; I735-M738 WeakPolarHBondContact O-CB 3.05Å; I735-M738 PolarHBondContact O-N 2.96Å; G736-M738 VanDerWaalsContact C-N 3.35Å; G736-M738 PolarHBondContact O-N 2.99Å; M738-M740 VanDerWaalsContact C-N 3.34Å; M738-M740 PolarHBondContact O-N 2.88Å; M738-F741 PolarHBondContact O-N 3.24Å; M738-A742 WeakPolarHBondContact O-CB 3.32Å; M738-A742 PolarHBondContact O-N 3.5Å
739L92.8Very high93.8Very high3 Ų346 Ų462%0.01622%0.22CC..Hα-helixtrans-62.2-40.2176.1-70.6176.1000112.3H577 F623 C704 I735 G736 A742 S743H577-L739 HydrophobicContact CB-CD1 4.08Å; F623-L739 HydrophobicContact CD1-CD2 4.48Å; C704-L739 HydrophobicContact CB-CD2 4.43Å; I735-L739 HydrophobicContact CG2-CD1 4.46Å; I735-L739 PolarHBondContact O-N 2.66Å; G736-L739 PolarHBondContact O-N 3.24Å; L739-A742 PolarHBondContact O-N 2.93Å; L739-S743 WeakPolarHBondContact O-CB 3.41Å; L739-S743 PolarHBondContact O-N 3.33Å
740M94.3Very high93.7Very high44 Ų4446 Ų4622%0.21722%0.22CC..Hα-helixtrans-64.6-39.9174.1-73.4-173.268.600112.4F624 I631 G736 M737 M738 S743 I744F624-M740 HydrophobicContact CD2-CE 4.24Å; F624-M740 HydrophobicContact CE1-CE 4.36Å; F624-M740 HydrophobicContact CE2-CE 3.47Å; F624-M740 VanDerWaalsContact CE2-CE 3.47Å; F624-M740 HydrophobicContact CZ-CE 3.54Å; I631-M740 HydrophobicContact CD1-CG 4.35Å; I631-M740 HydrophobicContact CD1-SD 3.33Å; I631-M740 WeakPolarHBondContact CD1-SD 3.39Å; I631-M740 HydrophobicContact CG1-SD 4.44Å; G736-M740 WeakPolarHBondContact O-CG 3.41Å; G736-M740 PolarHBondContact O-N 3.49Å; G736-M740 VanDerWaalsContact O-N 3.07Å; M737-M740 PolarHBondContact O-N 2.87Å; M738-M740 VanDerWaalsContact C-N 3.34Å; M738-M740 PolarHBondContact O-N 2.88Å; M740-S743 WeakPolarHBondContact O-CB 3.46Å; M740-S743 PolarHBondContact O-N 2.94Å; M740-I744 WeakPolarHBondContact O-CG1 3.31Å; M740-I744 PolarHBondContact O-N 2.89Å
741F95.4Very high93.6Very high149 Ų14949.8 Ų49.865%0.65423%0.229SC*.Hα-helixtrans-65.2-44.2175.5-179-94.6000111.7M737 M738 S743 I744 F745M737-F741 PolarHBondContact O-N 2.82Å; M738-F741 PolarHBondContact O-N 3.24Å; F741-S743 VanDerWaalsContact C-N 3.32Å; F741-S743 PolarHBondContact O-N 3.5Å; F741-I744 PolarHBondContact O-N 3.43Å; F741-F745 WeakPolarHBondContact O-CB 3.49Å; F741-F745 PolarHBondContact O-N 2.92Å
742A93.3Very high93.4Very high5 Ų551.7 Ų51.74%0.04124%0.243CC..Hα-helixtrans-60-42.4174.800000111.5T700 M738 L739 I744 F745 L746T700-A742 HydrophobicContact CG2-CB 3.94Å; M738-A742 WeakPolarHBondContact O-CB 3.32Å; M738-A742 PolarHBondContact O-N 3.5Å; L739-A742 PolarHBondContact O-N 2.93Å; A742-I744 PolarHBondContact O-N 3.41Å; A742-F745 PolarHBondContact O-N 3.48Å; A742-L746 WeakPolarHBondContact O-CB 3.44Å; A742-L746 VanDerWaalsContact O-CG 3.3Å; A742-L746 WeakPolarHBondContact O-CG 3.44Å; A742-L746 PolarHBondContact O-N 3.21Å
743S94.9Very high93.3Very high3 Ų352 Ų522%0.02124%0.244CC..Hα-helixtrans-56.7-49.8173.71720000112.1A619 F624 L739 M740 F741 F745 L746 A747A619-S743 WeakPolarHBondContact O-CB 3.45Å; A619-S743 PolarHBondContact O-OG 3.05Å; F624-S743 WeakPolarHBondContact CB-OG 3.47Å; L739-S743 WeakPolarHBondContact O-CB 3.41Å; L739-S743 PolarHBondContact O-N 3.33Å; M740-S743 WeakPolarHBondContact O-CB 3.46Å; M740-S743 PolarHBondContact O-N 2.94Å; F741-S743 VanDerWaalsContact C-N 3.32Å; F741-S743 PolarHBondContact O-N 3.5Å; S743-F745 VanDerWaalsContact C-N 3.33Å; S743-F745 PolarHBondContact O-N 3.49Å; S743-L746 PolarHBondContact O-N 3.26Å; S743-A747 VanDerWaalsContact O-CB 3.23Å; S743-A747 WeakPolarHBondContact O-CB 3.49Å; S743-A747 PolarHBondContact O-N 2.99Å
744I94.8Very high93.1Very high105 Ų10553 Ų5354%0.53825%0.249SC..Hα-helixtrans-63.1-41.8179.9-67.3165.1000110.7M740 F741 A742 R748M740-I744 WeakPolarHBondContact O-CG1 3.31Å; M740-I744 PolarHBondContact O-N 2.89Å; F741-I744 PolarHBondContact O-N 3.43Å; A742-I744 PolarHBondContact O-N 3.41Å; I744-R748 PolarHBondContact O-N 3.32Å; I744-R748 VanDerWaalsContact O-N 3.16Å
745F93.2Very high92.9Very high83 Ų8354 Ų5436%0.36425%0.254SS..Hα-helixtrans-60.5-52.1175.8172.9-100000111.7F741 A742 S743 A747 R748 E749F741-F745 WeakPolarHBondContact O-CB 3.49Å; F741-F745 PolarHBondContact O-N 2.92Å; A742-F745 PolarHBondContact O-N 3.48Å; S743-F745 VanDerWaalsContact C-N 3.33Å; S743-F745 PolarHBondContact O-N 3.49Å; F745-A747 PolarHBondContact O-N 2.81Å; F745-R748 WeakPolarHBondContact O-CB 3.47Å; F745-R748 PolarHBondContact O-N 3.04Å; F745-E749 HydrophobicContact CE1-CG 4.42Å; F745-E749 HydrophobicContact CE2-CG 4.4Å; F745-E749 HydrophobicContact CZ-CG 4.18Å; F745-E749 PolarHBondContact O-N 2.98Å
746L93.7Very high92.7Very high0 Ų055.1 Ų55.10%027%0.266CS..Hα-helixtrans-63-41.8179.1-71177.8000112.4A619 F623 L696 T700 A742 S743 R748 E749 F750A619-L746 HydrophobicContact CB-CB 3.76Å; F623-L746 HydrophobicContact CD1-CD1 4.46Å; F623-L746 HydrophobicContact CE1-CD1 4.31Å; F623-L746 HydrophobicContact CZ-CD1 4.44Å; L696-L746 HydrophobicContact CD2-CD2 4.15Å; L696-L746 HydrophobicContact CG-CD2 3.8Å; T700-L746 HydrophobicContact CG2-CD1 4.06Å; T700-L746 HydrophobicContact CG2-CD2 4.27Å; T700-L746 HydrophobicContact CG2-CG 4.16Å; A742-L746 WeakPolarHBondContact O-CB 3.44Å; A742-L746 VanDerWaalsContact O-CG 3.3Å; A742-L746 WeakPolarHBondContact O-CG 3.44Å; A742-L746 PolarHBondContact O-N 3.21Å; S743-L746 PolarHBondContact O-N 3.26Å; L746-R748 VanDerWaalsContact C-N 3.27Å; L746-R748 PolarHBondContact O-N 3.39Å; L746-E749 PolarHBondContact O-N 3.34Å; L746-F750 HydrophobicContact CB-CD2 4.35Å; L746-F750 HydrophobicContact CB-CE2 3.83Å; L746-F750 HydrophobicContact CB-CZ 4.23Å; L746-F750 HydrophobicContact CD2-CE2 4.25Å; L746-F750 HydrophobicContact CD2-CZ 3.82Å; L746-F750 HydrophobicContact CG-CE2 4.45Å; L746-F750 HydrophobicContact CG-CZ 4.49Å; L746-F750 VanDerWaalsContact O-CD2 3.32Å; L746-F750 WeakPolarHBondContact O-CD2 3.25Å; L746-F750 VanDerWaalsContact O-CG 3.26Å; L746-F750 WeakPolarHBondContact O-CG 3.36Å; L746-F750 PolarHBondContact O-N 2.85Å
747A93.2Very high92.6Very high25 Ų2556.7 Ų56.721%0.20727%0.273CS..Hα-helixtrans-59.9-38.5178.400000111.9T620 S743 F745 Y751T620-A747 HydrophobicContact CG2-CB 3.8Å; S743-A747 VanDerWaalsContact O-CB 3.23Å; S743-A747 WeakPolarHBondContact O-CB 3.49Å; S743-A747 PolarHBondContact O-N 2.99Å; F745-A747 PolarHBondContact O-N 2.81Å; A747-Y751 VanDerWaalsContact O-CB 3.32Å; A747-Y751 WeakPolarHBondContact O-CB 3.48Å; A747-Y751 PolarHBondContact O-N 3.49Å
748R91.9Very high92.4Very high189 Ų18954.8 Ų54.871%0.71327%0.27SS*.Hα-helixtrans-64.5-46.1175.2178.4-178.5171.6165-1.1112I744 F745 L746 S752I744-R748 PolarHBondContact O-N 3.32Å; I744-R748 VanDerWaalsContact O-N 3.16Å; F745-R748 WeakPolarHBondContact O-CB 3.47Å; F745-R748 PolarHBondContact O-N 3.04Å; L746-R748 VanDerWaalsContact C-N 3.27Å; L746-R748 PolarHBondContact O-N 3.39Å; R748-S752 PolarHBondContact O-N 3.17Å
749E91.1Very high92.3Very high19 Ų1953.2 Ų53.29%0.08926%0.262CS..Hα-helixtrans-66.3-42.4179.9-63.6-61.8123.300111.3H688 L696 F745 L746 S752 L753H688-E749 IonicContact CE1-OE1 3.95Å; H688-E749 IonicContact CE1-OE2 3.52Å; H688-E749 PolarHBondContact CE1-OE2 2.72Å; H688-E749 IonicContact CG-OE2 2.86Å; H688-E749 IonicContact ND1-OE1 3.34Å; H688-E749 PolarHBondContact ND1-OE1 3.26Å; H688-E749 IonicContact ND1-OE2 3.24Å; H688-E749 PolarHBondContact ND1-OE2 3.24Å; L696-E749 HydrophobicContact CD2-CB 3.87Å; L696-E749 HydrophobicContact CD2-CG 4.14Å; F745-E749 HydrophobicContact CE1-CG 4.42Å; F745-E749 HydrophobicContact CE2-CG 4.4Å; F745-E749 HydrophobicContact CZ-CG 4.18Å; F745-E749 PolarHBondContact O-N 2.98Å; L746-E749 PolarHBondContact O-N 3.34Å; E749-S752 WeakPolarHBondContact O-CB 3Å; E749-S752 PolarHBondContact O-N 3.01Å; E749-L753 PolarHBondContact O-N 2.92Å
750F91.7Very high92Very high0 Ų054.4 Ų54.40%027%0.271CS..Hα-helixtrans-73.4-29.9-179.7-57.4-27000113.9S615 T616 A619 L696 I697 L746 S752 L753 I754S615-F750 WeakPolarHBondContact O-CD2 3.46Å; S615-F750 WeakPolarHBondContact O-CE2 3.13Å; T616-F750 VanDerWaalsContact OG1-CB 3.23Å; T616-F750 WeakPolarHBondContact OG1-CB 3.49Å; A619-F750 HydrophobicContact CB-CD2 3.9Å; A619-F750 HydrophobicContact CB-CE2 3.93Å; L696-F750 HydrophobicContact CB-CE1 4.3Å; L696-F750 HydrophobicContact CD2-CE1 3.87Å; L696-F750 HydrophobicContact CD2-CZ 4.43Å; L696-F750 HydrophobicContact CG-CE1 4.43Å; I697-F750 HydrophobicContact CD1-CE2 3.69Å; I697-F750 HydrophobicContact CD1-CZ 3.81Å; I697-F750 HydrophobicContact CG1-CE1 4.43Å; I697-F750 HydrophobicContact CG1-CE2 3.55Å; I697-F750 HydrophobicContact CG1-CZ 3.29Å; L746-F750 HydrophobicContact CB-CD2 4.35Å; L746-F750 HydrophobicContact CB-CE2 3.83Å; L746-F750 HydrophobicContact CB-CZ 4.23Å; L746-F750 HydrophobicContact CD2-CE2 4.25Å; L746-F750 HydrophobicContact CD2-CZ 3.82Å; L746-F750 HydrophobicContact CG-CE2 4.45Å; L746-F750 HydrophobicContact CG-CZ 4.49Å; L746-F750 VanDerWaalsContact O-CD2 3.32Å; L746-F750 WeakPolarHBondContact O-CD2 3.25Å; L746-F750 VanDerWaalsContact O-CG 3.26Å; L746-F750 WeakPolarHBondContact O-CG 3.36Å; L746-F750 PolarHBondContact O-N 2.85Å; F750-S752 VanDerWaalsContact C-N 3.26Å; F750-S752 PolarHBondContact O-N 2.94Å; F750-L753 HydrophobicContact CD1-CD1 4.09Å; F750-L753 PolarHBondContact O-N 2.99Å; F750-I754 WeakPolarHBondContact O-CG1 3.43Å; F750-I754 PolarHBondContact O-N 3.27Å
751Y91.4Very high91.7Very high158 Ų15860.5 Ų60.562%0.6230%0.296SS*.Hα-helixtrans-54.4-47.1169.8174.4-96.2000110.7A747 L753 I754 I755A747-Y751 VanDerWaalsContact O-CB 3.32Å; A747-Y751 WeakPolarHBondContact O-CB 3.48Å; A747-Y751 PolarHBondContact O-N 3.49Å; Y751-L753 PolarHBondContact O-N 2.91Å; Y751-I754 PolarHBondContact O-N 2.93Å; Y751-I755 HydrophobicContact CD1-CG1 4.42Å; Y751-I755 HydrophobicContact CD2-CG1 4.46Å; Y751-I755 HydrophobicContact CE1-CG1 3.99Å; Y751-I755 HydrophobicContact CE2-CD1 4.18Å; Y751-I755 HydrophobicContact CE2-CG1 4.04Å; Y751-I755 WeakPolarHBondContact O-CG1 3.23Å; Y751-I755 PolarHBondContact O-N 2.69Å; Y751-I755 VanDerWaalsContact O-N 3.11Å
752S88.6Confident91.2Very high46 Ų4656.5 Ų56.532%0.32228%0.282SS..Hα-helixtrans-60.2-45.1178.2-159.80000112.1R748 E749 F750 I754 I755 G756 E757R748-S752 PolarHBondContact O-N 3.17Å; E749-S752 WeakPolarHBondContact O-CB 3Å; E749-S752 PolarHBondContact O-N 3.01Å; F750-S752 VanDerWaalsContact C-N 3.26Å; F750-S752 PolarHBondContact O-N 2.94Å; S752-I754 PolarHBondContact O-N 3Å; S752-I755 PolarHBondContact O-N 3.07Å; S752-G756 PolarHBondContact O-N 2.9Å; S752-E757 WeakPolarHBondContact CB-OE1 3.44Å; S752-E757 PolarHBondContact OG-OE1 3.05Å
753L90.9Very high91.1Very high7 Ų756.7 Ų56.74%0.03728%0.282CS..Hα-helixtrans-64.9-36.9178-65177.7000113.6Y612 E749 F750 Y751 G756 E757Y612-L753 HydrophobicContact CD1-CB 3.9Å; Y612-L753 HydrophobicContact CD1-CD1 3.99Å; Y612-L753 HydrophobicContact CD2-CB 4.08Å; Y612-L753 WeakPolarHBondContact CD2-O 3.38Å; Y612-L753 HydrophobicContact CE1-CB 4.08Å; Y612-L753 HydrophobicContact CE1-CD1 3.84Å; Y612-L753 HydrophobicContact CE1-CG 4.39Å; Y612-L753 HydrophobicContact CE2-CB 4.24Å; Y612-L753 HydrophobicContact CG-CB 3.91Å; E749-L753 PolarHBondContact O-N 2.92Å; F750-L753 HydrophobicContact CD1-CD1 4.09Å; F750-L753 PolarHBondContact O-N 2.99Å; Y751-L753 PolarHBondContact O-N 2.91Å; L753-G756 PolarHBondContact O-N 3.47Å; L753-E757 HydrophobicContact CD2-CG 4.42Å
754I90.9Very high91Very high55 Ų5558.7 Ų58.728%0.28229%0.292SS..Hα-helixtrans-67.5-46177.6-73.2-179.5000111.5R609 T616 F750 Y751 S752 G756R609-I754 PolarHBondContact NH1-O 2.82Å; T616-I754 HydrophobicContact CG2-CD1 4.16Å; T616-I754 WeakPolarHBondContact OG1-CD1 3.43Å; F750-I754 WeakPolarHBondContact O-CG1 3.43Å; F750-I754 PolarHBondContact O-N 3.27Å; Y751-I754 PolarHBondContact O-N 2.93Å; S752-I754 PolarHBondContact O-N 3Å; I754-G756 PolarHBondContact O-N 3.27Å
755I91.4Very high90.9Very high104 Ų10457 Ų5753%0.53329%0.286SS..Hα-helixtrans-61.2-37.8177.4-64.6-59.5000109.7Y751 S752Y751-I755 HydrophobicContact CD1-CG1 4.42Å; Y751-I755 HydrophobicContact CD2-CG1 4.46Å; Y751-I755 HydrophobicContact CE1-CG1 3.99Å; Y751-I755 HydrophobicContact CE2-CD1 4.18Å; Y751-I755 HydrophobicContact CE2-CG1 4.04Å; Y751-I755 WeakPolarHBondContact O-CG1 3.23Å; Y751-I755 PolarHBondContact O-N 2.69Å; Y751-I755 VanDerWaalsContact O-N 3.11Å; S752-I755 PolarHBondContact O-N 3.07Å
756G89.2Confident90.8Very high23 Ų2356.2 Ų56.224%0.23728%0.283CS..  trans110.1119.1172.200000110.5S752 L753 I754S752-G756 PolarHBondContact O-N 2.9Å; L753-G756 PolarHBondContact O-N 3.47Å; I754-G756 PolarHBondContact O-N 3.27Å
757E91.1Very high90.9Very high33 Ų3356.2 Ų56.215%0.15428%0.283CS..PPolyproline II helixtrans-98156.1178-61-170.7149.800111.5R691 S752 L753 V785 H786R691-E757 WeakPolarHBondContact CD-OE2 3.22Å; R691-E757 IonicContact CZ-OE2 3.33Å; R691-E757 IonicContact NE-OE2 3.1Å; R691-E757 PolarHBondContact NE-OE2 3.2Å; R691-E757 VanDerWaalsContact NE-OE2 3.07Å; R691-E757 IonicContact NH1-OE2 2.67Å; R691-E757 PolarHBondContact NH1-OE2 2.69Å; R691-E757 IonicContact NH2-OE2 3.5Å; R691-E757 PolarHBondContact NH2-OE2 3.11Å; S752-E757 WeakPolarHBondContact CB-OE1 3.44Å; S752-E757 PolarHBondContact OG-OE1 3.05Å; L753-E757 HydrophobicContact CD2-CG 4.42Å; E757-V785 CarbonylContact O-C 3.59Å; E757-V785 VanDerWaalsContact O-CA 3.31Å; E757-V785 WeakPolarHBondContact O-CA 3.48Å; E757-H786 PolarHBondContact O-N 2.94Å
758S92.1Very high91Very high64 Ų6458.3 Ų58.345%0.44829%0.288SS..PPolyproline II helixtrans-62.9161.5168.869.90000111.3T784S758-T784 WeakPolarHBondContact CA-O 3.07Å
759V91.4Very high91.1Very high3 Ų352.9 Ų52.92%0.01827%0.274CS..PPolyproline II helixtrans-60163.6168.5-60.50000111.1D763 L764 I767 T784 V792V759-D763 HydrophobicContact CB-CB 4.08Å; V759-D763 HydrophobicContact CG2-CB 4.08Å; V759-L764 HydrophobicContact CG2-CB 3.94Å; V759-L764 HydrophobicContact CG2-CD1 4.3Å; V759-I767 HydrophobicContact CG2-CD1 3.83Å; V759-T784 HydrophobicContact CG2-CG2 4.11Å; V759-T784 PolarHBondContact N-OG1 3.09Å; V759-T784 VanDerWaalsContact N-OG1 3.15Å; V759-V792 HydrophobicContact CG1-CB 4.13Å; V759-V792 HydrophobicContact CG1-CG1 3.79Å
760S86.9Confident91.2Very high28 Ų2852.1 Ų52.120%0.19627%0.271CS..PPolyproline II helixtrans-54.2153.9174.274.20000111.3N762 D763 L764S760-N762 PolarHBondContact O-N 2.96Å; S760-D763 PolarHBondContact O-N 3.05Å; S760-D763 VanDerWaalsContact O-N 3.16Å; S760-D763 VanDerWaalsContact OG-CB 3.32Å; S760-D763 WeakPolarHBondContact OG-CB 3.4Å; S760-D763 PolarHBondContact OG-N 2.83Å; S760-D763 VanDerWaalsContact OG-N 3.11Å; S760-D763 PolarHBondContact OG-OD2 3.33Å; S760-L764 WeakPolarHBondContact O-CB 3.4Å; S760-L764 PolarHBondContact O-N 3.09Å
761K87.6Confident91.4Very high172 Ų17252.5 Ų52.575%0.74827%0.272SS*.Hα-helixtrans-58.1-37.8179.1-69179.7-179.9174.70112L764 V765K761-L764 PolarHBondContact O-N 3.48Å; K761-V765 WeakPolarHBondContact O-CG2 3.28Å; K761-V765 PolarHBondContact O-N 2.82Å
762N86Confident91.4Very high65 Ų6552.4 Ų52.435%0.34828%0.275SS..Hα-helixtrans-65.2-47.2177.2-173.118.1000111.3E679 S760 L764 V765 K766E679-N762 WeakPolarHBondContact OE1-CB 3.33Å; E679-N762 PolarHBondContact OE1-ND2 3.12Å; S760-N762 PolarHBondContact O-N 2.96Å; N762-L764 VanDerWaalsContact C-N 3.32Å; N762-L764 PolarHBondContact O-N 3.45Å; N762-V765 PolarHBondContact O-N 3.38Å; N762-K766 WeakPolarHBondContact O-CG 3.36Å; N762-K766 PolarHBondContact O-N 3.4Å
763D90Very high91.5Very high9 Ų952.5 Ų52.55%0.04827%0.268CS..Hα-helixtrans-66.3-36177.6-66.5-28000111.8V759 S760 V765 K766 I767 L823 K826V759-D763 HydrophobicContact CB-CB 4.08Å; V759-D763 HydrophobicContact CG2-CB 4.08Å; S760-D763 PolarHBondContact O-N 3.05Å; S760-D763 VanDerWaalsContact O-N 3.16Å; S760-D763 VanDerWaalsContact OG-CB 3.32Å; S760-D763 WeakPolarHBondContact OG-CB 3.4Å; S760-D763 PolarHBondContact OG-N 2.83Å; S760-D763 VanDerWaalsContact OG-N 3.11Å; S760-D763 PolarHBondContact OG-OD2 3.33Å; D763-V765 VanDerWaalsContact C-N 3.32Å; D763-V765 PolarHBondContact O-N 3Å; D763-K766 WeakPolarHBondContact O-CB 3.03Å; D763-K766 PolarHBondContact O-N 3.3Å; D763-K766 IonicContact OD1-NZ 2.73Å; D763-K766 PolarHBondContact OD1-NZ 3.29Å; D763-I767 WeakPolarHBondContact O-CD1 3.35Å; D763-I767 WeakPolarHBondContact O-CG1 3.33Å; D763-I767 PolarHBondContact O-N 3.09Å; D763-L823 HydrophobicContact CB-CD2 3.76Å; D763-L823 WeakPolarHBondContact OD1-CD2 3.45Å; D763-K826 IonicContact OD1-NZ 3.5Å; D763-K826 WeakPolarHBondContact OD2-CE 3.44Å; D763-K826 IonicContact OD2-NZ 2.79Å; D763-K826 PolarHBondContact OD2-NZ 2.94Å
764L93.4Very high91.3Very high44 Ų4459.2 Ų59.223%0.2330%0.304CS..Hα-helixtrans-60.4-42.8173.3-171.765000111.3V759 S760 K761 N762 I767 Q768 T784V759-L764 HydrophobicContact CG2-CB 3.94Å; V759-L764 HydrophobicContact CG2-CD1 4.3Å; S760-L764 WeakPolarHBondContact O-CB 3.4Å; S760-L764 PolarHBondContact O-N 3.09Å; K761-L764 PolarHBondContact O-N 3.48Å; N762-L764 VanDerWaalsContact C-N 3.32Å; N762-L764 PolarHBondContact O-N 3.45Å; L764-I767 PolarHBondContact O-N 2.95Å; L764-Q768 HydrophobicContact CG-CG 4.45Å; L764-Q768 WeakPolarHBondContact O-CB 3.38Å; L764-Q768 VanDerWaalsContact O-CG 3.28Å; L764-Q768 WeakPolarHBondContact O-CG 3.28Å; L764-Q768 PolarHBondContact O-N 3.21Å; L764-T784 HydrophobicContact CD1-CG2 4.2Å
765V93.8Very high91.3Very high69 Ų6958.6 Ų58.642%0.41830%0.3SS..Hα-helixtrans-63.6-42.8175.9169.40000111.1K761 N762 D763 I767 Q768 N769K761-V765 WeakPolarHBondContact O-CG2 3.28Å; K761-V765 PolarHBondContact O-N 2.82Å; N762-V765 PolarHBondContact O-N 3.38Å; D763-V765 VanDerWaalsContact C-N 3.32Å; D763-V765 PolarHBondContact O-N 3Å; V765-I767 VanDerWaalsContact C-N 3.32Å; V765-I767 PolarHBondContact O-N 3.48Å; V765-Q768 PolarHBondContact O-N 2.9Å; V765-N769 VanDerWaalsContact O-CB 3.31Å; V765-N769 WeakPolarHBondContact O-CB 3.15Å; V765-N769 PolarHBondContact O-N 3.13Å; V765-N769 PolarHBondContact O-ND2 2.97Å
766K91.3Very high91.3Very high68 Ų6854.3 Ų54.330%0.29628%0.279SS..Hα-helixtrans-59.2-44.4175-67.6173.7-161159.20111.6N762 D763 N769 A770 A822 L823N762-K766 WeakPolarHBondContact O-CG 3.36Å; N762-K766 PolarHBondContact O-N 3.4Å; D763-K766 WeakPolarHBondContact O-CB 3.03Å; D763-K766 PolarHBondContact O-N 3.3Å; D763-K766 IonicContact OD1-NZ 2.73Å; D763-K766 PolarHBondContact OD1-NZ 3.29Å; K766-N769 PolarHBondContact O-N 2.99Å; K766-A770 PolarHBondContact O-N 3.36Å; K766-A822 HydrophobicContact CB-CB 4.11Å; K766-L823 HydrophobicContact CD-CD2 4.18Å
767I95Very high91.3Very high0 Ų058.9 Ų58.90%029%0.292CS..Hα-helixtrans-64.6-49.7177.4-64.1161.8000110.2V759 D763 L764 V765 N769 A770 F771 I782 T784 I794 I819 L823V759-I767 HydrophobicContact CG2-CD1 3.83Å; D763-I767 WeakPolarHBondContact O-CD1 3.35Å; D763-I767 WeakPolarHBondContact O-CG1 3.33Å; D763-I767 PolarHBondContact O-N 3.09Å; L764-I767 PolarHBondContact O-N 2.95Å; V765-I767 VanDerWaalsContact C-N 3.32Å; V765-I767 PolarHBondContact O-N 3.48Å; I767-N769 VanDerWaalsContact C-N 3.3Å; I767-N769 PolarHBondContact O-N 2.69Å; I767-A770 VanDerWaalsContact O-CB 3.23Å; I767-A770 WeakPolarHBondContact O-CB 3.39Å; I767-A770 PolarHBondContact O-N 3.31Å; I767-F771 HydrophobicContact CG2-CE2 3.93Å; I767-F771 WeakPolarHBondContact O-CD2 3.47Å; I767-I782 HydrophobicContact CB-CD1 4.48Å; I767-I782 HydrophobicContact CG2-CD1 3.44Å; I767-I782 VanDerWaalsContact CG2-CD1 3.44Å; I767-T784 HydrophobicContact CD1-CG2 4.09Å; I767-I794 HydrophobicContact CD1-CD1 3.63Å; I767-I794 HydrophobicContact CD1-CG1 4.19Å; I767-I794 HydrophobicContact CG1-CD1 4Å; I767-I794 HydrophobicContact CG2-CD1 4.44Å; I767-I794 HydrophobicContact CG2-CG2 4.07Å; I767-I819 HydrophobicContact CG1-CG2 4.17Å; I767-I819 HydrophobicContact CG2-CD1 4Å; I767-I819 HydrophobicContact CG2-CG1 4.27Å; I767-L823 HydrophobicContact CD1-CD1 3.97Å; I767-L823 HydrophobicContact CG1-CD1 3.82Å
768Q95.6Very high91.3Very high69 Ų6961.6 Ų61.632%0.32230%0.303SS..Hα-helixtrans-60.5-37.5178.9-76177.7-21.100112.6L764 V765 A770 F771 L779L764-Q768 HydrophobicContact CG-CG 4.45Å; L764-Q768 WeakPolarHBondContact O-CB 3.38Å; L764-Q768 VanDerWaalsContact O-CG 3.28Å; L764-Q768 WeakPolarHBondContact O-CG 3.28Å; L764-Q768 PolarHBondContact O-N 3.21Å; V765-Q768 PolarHBondContact O-N 2.9Å; Q768-A770 PolarHBondContact O-N 2.87Å; Q768-F771 PolarHBondContact O-N 3.18Å; Q768-F771 VanDerWaalsContact O-N 3.11Å; Q768-L779 HydrophobicContact CG-CD2 4.25Å
769N94.4Very high91.3Very high75 Ų7560.8 Ų60.840%0.40129%0.294SS..Hα-helixtrans-64.6-26.3176.4-74.1-21.6000112.5V765 K766 I767 F771 K772V765-N769 VanDerWaalsContact O-CB 3.31Å; V765-N769 WeakPolarHBondContact O-CB 3.15Å; V765-N769 PolarHBondContact O-N 3.13Å; V765-N769 PolarHBondContact O-ND2 2.97Å; K766-N769 PolarHBondContact O-N 2.99Å; I767-N769 VanDerWaalsContact C-N 3.3Å; I767-N769 PolarHBondContact O-N 2.69Å; N769-F771 PolarHBondContact O-N 2.8Å; N769-K772 PolarHBondContact O-N 2.9Å; N769-K772 WeakPolarHBondContact OD1-CE 3.39Å; N769-K772 PolarHBondContact OD1-NZ 3.27Å
770A93Very high91.3Very high3 Ų361.7 Ų61.73%0.02530%0.298CS..Hα-helixtrans-63.5-26174.500000112.7K766 I767 Q768 R773 I815 V818 I819K766-A770 PolarHBondContact O-N 3.36Å; I767-A770 VanDerWaalsContact O-CB 3.23Å; I767-A770 WeakPolarHBondContact O-CB 3.39Å; I767-A770 PolarHBondContact O-N 3.31Å; Q768-A770 PolarHBondContact O-N 2.87Å; A770-R773 PolarHBondContact O-NE 3.29Å; A770-R773 PolarHBondContact O-NH2 3.31Å; A770-I815 HydrophobicContact CB-CG2 4.26Å; A770-V818 HydrophobicContact CB-CB 4.09Å; A770-V818 HydrophobicContact CB-CG1 3.66Å; A770-I819 HydrophobicContact CB-CD1 4.31Å; A770-I819 HydrophobicContact CB-CG1 3.53Å
771F94.8Very high91.6Very high7 Ų761.9 Ų61.93%0.03130%0.297CS..THydrogen-bonded Turntrans-88.7-9.7178.2-62-85000114I767 Q768 N769 R773 L779 I782 A796 I798 I815 I819 I832I767-F771 HydrophobicContact CG2-CE2 3.93Å; I767-F771 WeakPolarHBondContact O-CD2 3.47Å; Q768-F771 PolarHBondContact O-N 3.18Å; Q768-F771 VanDerWaalsContact O-N 3.11Å; N769-F771 PolarHBondContact O-N 2.8Å; F771-R773 PolarHBondContact O-N 2.89Å; F771-R773 VanDerWaalsContact O-N 3.14Å; F771-L779 HydrophobicContact CB-CB 4.41Å; F771-L779 HydrophobicContact CB-CD2 4.34Å; F771-L779 HydrophobicContact CD1-CD1 3.98Å; F771-L779 HydrophobicContact CD2-CD1 4.22Å; F771-L779 HydrophobicContact CD2-CD2 4.08Å; F771-L779 HydrophobicContact CE1-CD1 4.15Å; F771-L779 HydrophobicContact CE2-CD1 4.42Å; F771-L779 HydrophobicContact CG-CD1 4Å; F771-L779 HydrophobicContact CG-CD2 4.25Å; F771-L779 HydrophobicContact CZ-CD1 4.38Å; F771-I782 HydrophobicContact CE2-CD1 3.9Å; F771-A796 HydrophobicContact CE1-CB 3.84Å; F771-A796 HydrophobicContact CE2-CB 4.3Å; F771-A796 HydrophobicContact CZ-CB 3.43Å; F771-A796 VanDerWaalsContact CZ-CB 3.43Å; F771-I798 HydrophobicContact CD1-CG2 3.58Å; F771-I798 HydrophobicContact CE1-CG2 3.64Å; F771-I815 HydrophobicContact CD1-CD1 4.02Å; F771-I815 HydrophobicContact CD1-CG2 3.89Å; F771-I815 HydrophobicContact CE1-CD1 4.31Å; F771-I815 HydrophobicContact CE1-CG2 3.6Å; F771-I815 HydrophobicContact CE2-CG2 4.31Å; F771-I815 HydrophobicContact CG-CG2 4.39Å; F771-I815 HydrophobicContact CZ-CG2 3.82Å; F771-I819 HydrophobicContact CE2-CD1 3.95Å; F771-I819 HydrophobicContact CZ-CD1 4.04Å; F771-I832 HydrophobicContact CE1-CD1 4.03Å; F771-I832 HydrophobicContact CE1-CG2 4.42Å; F771-I832 HydrophobicContact CZ-CD1 4.17Å
772K91.9Very high91.9Very high156 Ų15655.1 Ų55.168%0.67827%0.269SS*.  trans-8289.9178.6-69.3179.8-177.1164.60110.3N769N769-K772 PolarHBondContact O-N 2.9Å; N769-K772 WeakPolarHBondContact OD1-CE 3.39Å; N769-K772 PolarHBondContact OD1-NZ 3.27Å
773R91.3Very high92.3Very high49 Ų4956.7 Ų56.719%0.18527%0.273CS..SBendtrans-160.7156-175.153.4175.461.9-165.5-4.9110.9A770 F771 E775 V776 Q814A770-R773 PolarHBondContact O-NE 3.29Å; A770-R773 PolarHBondContact O-NH2 3.31Å; F771-R773 PolarHBondContact O-N 2.89Å; F771-R773 VanDerWaalsContact O-N 3.14Å; R773-E775 VanDerWaalsContact CB-OE2 3.24Å; R773-E775 WeakPolarHBondContact CB-OE2 3.4Å; R773-E775 WeakPolarHBondContact CD-OE2 3.25Å; R773-E775 WeakPolarHBondContact CG-OE2 3.38Å; R773-E775 PolarHBondContact O-N 3.06Å; R773-V776 HydrophobicContact CG-CB 4.19Å; R773-V776 HydrophobicContact CG-CG2 3.86Å; R773-V776 PolarHBondContact O-N 3.14Å; R773-V776 VanDerWaalsContact O-N 3.09Å; R773-Q814 VanDerWaalsContact NH1-CD 3.26Å
774D86.5Confident92.6Very high148 Ų14857.1 Ų57.179%0.79128%0.276SS*.THydrogen-bonded Turntrans-64-24.7-170.5-64.5-27.2000113.3V776D774-V776 VanDerWaalsContact C-N 3.31Å
775E90.6Very high92.7Very high41 Ų4156.2 Ų56.219%0.19227%0.272CS..THydrogen-bonded Turntrans-75.2-21.4178.8-49.991.1159.200112.9R773 A801 Y804 V811R773-E775 VanDerWaalsContact CB-OE2 3.24Å; R773-E775 WeakPolarHBondContact CB-OE2 3.4Å; R773-E775 WeakPolarHBondContact CD-OE2 3.25Å; R773-E775 WeakPolarHBondContact CG-OE2 3.38Å; R773-E775 PolarHBondContact O-N 3.06Å; E775-A801 PolarHBondContact O-N 3.19Å; E775-Y804 HydrophobicContact CB-CD1 4.01Å; E775-Y804 HydrophobicContact CB-CD2 4.14Å; E775-Y804 HydrophobicContact CB-CE1 4.36Å; E775-Y804 HydrophobicContact CB-CE2 4.46Å; E775-Y804 HydrophobicContact CB-CG 3.92Å; E775-Y804 HydrophobicContact CG-CD1 3.5Å; E775-Y804 VanDerWaalsContact CG-CD1 3.5Å; E775-Y804 HydrophobicContact CG-CD2 4.24Å; E775-Y804 HydrophobicContact CG-CE1 3.47Å; E775-Y804 VanDerWaalsContact CG-CE1 3.47Å; E775-Y804 HydrophobicContact CG-CE2 4.21Å; E775-Y804 HydrophobicContact CG-CG 3.92Å; E775-V811 HydrophobicContact CB-CG1 3.99Å; E775-V811 HydrophobicContact CB-CG2 4.02Å; E775-V811 HydrophobicContact CG-CG2 4.24Å
776V91Very high92.6Very high14 Ų1453.1 Ų53.19%0.08525%0.253CS..EExtended strand (participates in β ladder)trans-105.7106-178.3179.20000108.8R773 D774 I798 D799 V811 I815R773-V776 HydrophobicContact CG-CB 4.19Å; R773-V776 HydrophobicContact CG-CG2 3.86Å; R773-V776 PolarHBondContact O-N 3.14Å; R773-V776 VanDerWaalsContact O-N 3.09Å; D774-V776 VanDerWaalsContact C-N 3.31Å; V776-I798 HydrophobicContact CG1-CB 4.27Å; V776-I798 HydrophobicContact CG1-CG2 4.42Å; V776-I798 HydrophobicContact CG2-CD1 4.42Å; V776-D799 CarbonylContact C-O 3.37Å; V776-V811 HydrophobicContact CG2-CG1 4.31Å; V776-I815 HydrophobicContact CG2-CD1 3.86Å
777K89.6Confident92.6Very high120 Ų12050.6 Ų50.652%0.52224%0.242SC..EExtended strand (participates in β ladder)trans-64.2-41.8177.4179.1171.6156.8-137.30111.3D799K777-D799 HydrophobicContact CB-CB 4.36Å; K777-D799 WeakPolarHBondContact CD-OD2 3.36Å; K777-D799 WeakPolarHBondContact CE-OD2 3.32Å; K777-D799 PolarHBondContact N-O 3.26Å; K777-D799 IonicContact NZ-OD1 3.77Å; K777-D799 IonicContact NZ-OD2 3.6Å; K777-D799 PolarHBondContact NZ-OD2 3.25Å
778K91.1Very high92.3Very high90 Ų9050.7 Ų50.739%0.39124%0.243SC..EExtended strand (participates in β ladder)trans-157.7137.9177.5-166.4167.5175.8-1790113.2I780 I798 D799 F837K778-I780 PolarHBondContact O-N 3.09Å; K778-I798 WeakPolarHBondContact O-CA 3.4Å; K778-D799 HydrophobicContact CB-CB 4.28Å; K778-D799 PolarHBondContact N-O 2.86Å; K778-D799 PolarHBondContact O-N 3.11Å; K778-F837 HydrophobicContact CD-CD1 3.99Å; K778-F837 HydrophobicContact CD-CD2 3.68Å; K778-F837 HydrophobicContact CD-CE1 4.2Å; K778-F837 HydrophobicContact CD-CE2 3.91Å; K778-F837 HydrophobicContact CD-CG 3.76Å; K778-F837 HydrophobicContact CD-CZ 4.19Å
779L93.1Very high91.8Very high47 Ų4747.9 Ų47.925%0.24623%0.231CC..EExtended strand (participates in β ladder)trans-80.2108160.9178.363000108.1Q768 F771 I782 A796 I798Q768-L779 HydrophobicContact CG-CD2 4.25Å; F771-L779 HydrophobicContact CB-CB 4.41Å; F771-L779 HydrophobicContact CB-CD2 4.34Å; F771-L779 HydrophobicContact CD1-CD1 3.98Å; F771-L779 HydrophobicContact CD2-CD1 4.22Å; F771-L779 HydrophobicContact CD2-CD2 4.08Å; F771-L779 HydrophobicContact CE1-CD1 4.15Å; F771-L779 HydrophobicContact CE2-CD1 4.42Å; F771-L779 HydrophobicContact CG-CD1 4Å; F771-L779 HydrophobicContact CG-CD2 4.25Å; F771-L779 HydrophobicContact CZ-CD1 4.38Å; L779-I782 HydrophobicContact CD1-CB 4.39Å; L779-I782 HydrophobicContact CD2-CB 4.29Å; L779-I782 HydrophobicContact CD2-CG2 4.19Å; L779-A796 HydrophobicContact CD1-CB 4.21Å; L779-I798 HydrophobicContact CD1-CG2 3.75Å
780I91.1Very high91.4Very high21 Ų2147.9 Ų47.911%0.10823%0.234CC..EExtended strand (participates in β ladder)trans-75.5-52.4-175-57.5178.2000110.3K778 K797 D799 D835 F837 Y841K778-I780 PolarHBondContact O-N 3.09Å; I780-K797 WeakPolarHBondContact CA-O 3.43Å; I780-K797 HydrophobicContact CB-CB 4.25Å; I780-K797 HydrophobicContact CB-CG 4.19Å; I780-K797 WeakPolarHBondContact CB-O 3.42Å; I780-K797 HydrophobicContact CD1-CG 4.22Å; I780-K797 HydrophobicContact CG2-CG 4.49Å; I780-K797 PolarHBondContact N-O 3.15Å; I780-D799 HydrophobicContact CD1-CB 4.21Å; I780-D799 HydrophobicContact CG1-CB 4.4Å; I780-D835 HydrophobicContact CD1-CB 4.34Å; I780-F837 HydrophobicContact CD1-CB 4.3Å; I780-F837 HydrophobicContact CG1-CB 4.39Å; I780-F837 HydrophobicContact CG1-CD2 4.15Å; I780-Y841 HydrophobicContact CG2-CD1 3.86Å; I780-Y841 HydrophobicContact CG2-CD2 3.74Å; I780-Y841 HydrophobicContact CG2-CE1 3.65Å; I780-Y841 HydrophobicContact CG2-CE2 3.54Å; I780-Y841 HydrophobicContact CG2-CG 3.9Å; I780-Y841 VanDerWaalsContact CG2-CZ 3.49Å
781D92.2Very high91.1Very high33 Ų3348.7 Ų48.718%0.17624%0.237CC..EExtended strand (participates in β ladder)trans-148.5150.6179.3-169.421.1000110.3K783 A796 K797 Y841 R845D781-K783 IonicContact OD1-NZ 3.42Å; D781-K783 PolarHBondContact OD1-NZ 3.39Å; D781-K783 WeakPolarHBondContact OD2-CE 3.25Å; D781-K783 IonicContact OD2-NZ 3.37Å; D781-K783 PolarHBondContact OD2-NZ 3.49Å; D781-A796 CarbonylContact O-C 3.54Å; D781-A796 WeakPolarHBondContact O-CA 3.37Å; D781-K797 HydrophobicContact CB-CB 4.35Å; D781-K797 PolarHBondContact N-O 3.01Å; D781-K797 PolarHBondContact O-N 3.15Å; D781-Y841 HydrophobicContact CB-CE1 4.29Å; D781-R845 IonicContact OD1-NH1 3Å
782I94.7Very high91Very high30 Ų3048.4 Ų48.415%0.15424%0.236CC..EExtended strand (participates in β ladder)trans-142.9127.1173.3-171166.9000110.3I767 F771 L779 T784 I794 A795 A796I767-I782 HydrophobicContact CB-CD1 4.48Å; I767-I782 HydrophobicContact CG2-CD1 3.44Å; I767-I782 VanDerWaalsContact CG2-CD1 3.44Å; F771-I782 HydrophobicContact CE2-CD1 3.9Å; L779-I782 HydrophobicContact CD1-CB 4.39Å; L779-I782 HydrophobicContact CD2-CB 4.29Å; L779-I782 HydrophobicContact CD2-CG2 4.19Å; I782-T784 HydrophobicContact CG1-CG2 4.42Å; I782-I794 HydrophobicContact CD1-CG2 4.42Å; I782-A795 WeakPolarHBondContact CA-O 3.34Å; I782-A796 HydrophobicContact CG1-CB 4.32Å
783K95Very high91.1Very high98 Ų9843.4 Ų43.443%0.42622%0.215SC..EExtended strand (participates in β ladder)trans-122.2134175.5-56.1-165.7-164.4-50.50109D781 I794 A795 R845D781-K783 IonicContact OD1-NZ 3.42Å; D781-K783 PolarHBondContact OD1-NZ 3.39Å; D781-K783 WeakPolarHBondContact OD2-CE 3.25Å; D781-K783 IonicContact OD2-NZ 3.37Å; D781-K783 PolarHBondContact OD2-NZ 3.49Å; K783-I794 WeakPolarHBondContact O-CA 3.48Å; K783-A795 PolarHBondContact N-O 2.95Å; K783-A795 PolarHBondContact O-N 3.01Å; K783-R845 VanDerWaalsContact NZ-NH2 3.15Å
784T95.9Very high91.3Very high18 Ų1841 Ų4111%0.1121%0.206CC..EExtended strand (participates in β ladder)trans-128.5144.4174.962.90000108.9S758 V759 L764 I767 I782 M793 I794S758-T784 WeakPolarHBondContact CA-O 3.07Å; V759-T784 HydrophobicContact CG2-CG2 4.11Å; V759-T784 PolarHBondContact N-OG1 3.09Å; V759-T784 VanDerWaalsContact N-OG1 3.15Å; L764-T784 HydrophobicContact CD1-CG2 4.2Å; I767-T784 HydrophobicContact CD1-CG2 4.09Å; I782-T784 HydrophobicContact CG1-CG2 4.42Å; T784-M793 CarbonylContact C-O 3.57Å; T784-M793 VanDerWaalsContact CA-O 3.22Å; T784-M793 WeakPolarHBondContact CA-O 3.48Å; T784-I794 HydrophobicContact CG2-CG1 4.12Å; T784-I794 HydrophobicContact CG2-CG2 4.29Å
785V94.5Very high91.8Very high25 Ų2535.7 Ų35.715%0.15218%0.183CC..EExtended strand (participates in β ladder)trans-145.4136.2175.5650000110.3E757 L787 V792 M793E757-V785 CarbonylContact O-C 3.59Å; E757-V785 VanDerWaalsContact O-CA 3.31Å; E757-V785 WeakPolarHBondContact O-CA 3.48Å; V785-L787 PolarHBondContact O-N 3.07Å; V785-V792 WeakPolarHBondContact O-CA 3.46Å; V785-M793 HydrophobicContact CG1-CB 3.82Å; V785-M793 HydrophobicContact CG1-CE 3.76Å; V785-M793 PolarHBondContact N-O 3.13Å; V785-M793 PolarHBondContact O-N 2.82Å
786H92.8Very high92.1Very high4 Ų434 Ų342%0.01918%0.176CC..EExtended strand (participates in β ladder)trans-71.8125.1168.2-85.3-91.1000110.3E757 G788 V792E757-H786 PolarHBondContact O-N 2.94Å; H786-G788 PolarHBondContact ND1-O 3.02Å; H786-V792 VanDerWaalsContact CE1-CG1 3.45Å; H786-V792 WeakPolarHBondContact CE1-CG1 3.32Å
787L90.3Very high92.2Very high15 Ų1534.9 Ų34.98%0.07918%0.179CC..SBendtrans-94.3-18.8167.7-62.4172.1000110.9F605 G608 R609 V785 E791 M793 Y829F605-L787 HydrophobicContact CB-CD1 3.87Å; F605-L787 HydrophobicContact CD1-CD1 4.15Å; F605-L787 HydrophobicContact CG-CD1 4.17Å; G608-L787 CarbonylContact C-O 3.54Å; R609-L787 WeakPolarHBondContact CA-O 3.35Å; R609-L787 WeakPolarHBondContact CG-O 3.3Å; R609-L787 PolarHBondContact N-O 3.48Å; V785-L787 PolarHBondContact O-N 3.07Å; L787-E791 HydrophobicContact CB-CB 4.16Å; L787-E791 PolarHBondContact N-O 3.14Å; L787-M793 HydrophobicContact CD1-CB 3.97Å; L787-M793 HydrophobicContact CG-CB 4.26Å; L787-Y829 HydrophobicContact CD1-CD2 3.63Å; L787-Y829 HydrophobicContact CD1-CE2 3.9Å
788G89.2Confident92.4Very high1 Ų129.1 Ų29.11%0.0115%0.154CC..SBendtrans-168.6-175.7170.500000109.3H786 T790 E791H786-G788 PolarHBondContact ND1-O 3.02Å; G788-T790 VanDerWaalsContact C-N 3.26Å; G788-T790 PolarHBondContact O-N 3.08Å; G788-E791 PolarHBondContact N-O 3.09Å; G788-E791 VanDerWaalsContact N-O 3.1Å; G788-E791 PolarHBondContact O-N 2.91Å; G788-E791 VanDerWaalsContact O-O 3.08Å
789P85.7Confident92.5Very high11 Ų1125.1 Ų25.17%0.07114%0.137CC..SBendtrans-59.7-38.4-179.118.9-29.6000112.4K611 H692K611-P789 HydrophobicContact CD-CG 3.92Å; H692-P789 WeakPolarHBondContact ND1-CB 3.2Å
790T84.9Confident92.4Very high74 Ų7423.7 Ų23.745%0.45413%0.129SC..SBendtrans-112.56.4-178.557.70000113.2G788 K826 K827G788-T790 VanDerWaalsContact C-N 3.26Å; G788-T790 PolarHBondContact O-N 3.08Å; T790-K826 CarbonylContact O-C 3.56Å; T790-K826 VanDerWaalsContact O-CA 3.3Å; T790-K826 WeakPolarHBondContact O-CA 3.39Å; T790-K827 PolarHBondContact O-N 3.31Å
791E87.9Confident92.3Very high21 Ų2123.7 Ų23.710%0.09813%0.132CC..EExtended strand (participates in β ladder)trans-120.9124.5-179.3-59.7-163.5144.600110.3L787 G788 K827L787-E791 HydrophobicContact CB-CB 4.16Å; L787-E791 PolarHBondContact N-O 3.14Å; G788-E791 PolarHBondContact N-O 3.09Å; G788-E791 VanDerWaalsContact N-O 3.1Å; G788-E791 PolarHBondContact O-N 2.91Å; G788-E791 VanDerWaalsContact O-O 3.08Å; E791-K827 WeakPolarHBondContact CA-O 3.4Å; E791-K827 HydrophobicContact CG-CB 4.25Å; E791-K827 HydrophobicContact CG-CD 4.18Å; E791-K827 VanDerWaalsContact OE1-CD 3.31Å; E791-K827 WeakPolarHBondContact OE1-CD 3.48Å; E791-K827 IonicContact OE1-NZ 3.66Å; E791-K827 PolarHBondContact OE1-NZ 3.05Å; E791-K827 VanDerWaalsContact OE1-NZ 3.13Å
792V92.2Very high91.9Very high0 Ų028.3 Ų28.30%016%0.157CC..EExtended strand (participates in β ladder)trans-129.4142.3-176.4-61.50000110.7V759 V785 H786 I794 K826 K827 A828 Y829V759-V792 HydrophobicContact CG1-CB 4.13Å; V759-V792 HydrophobicContact CG1-CG1 3.79Å; V785-V792 WeakPolarHBondContact O-CA 3.46Å; H786-V792 VanDerWaalsContact CE1-CG1 3.45Å; H786-V792 WeakPolarHBondContact CE1-CG1 3.32Å; V792-I794 HydrophobicContact CG2-CD1 4.39Å; V792-I794 HydrophobicContact CG2-CG1 4.45Å; V792-K826 HydrophobicContact CG1-CD 3.98Å; V792-K826 HydrophobicContact CG2-CB 4.37Å; V792-K827 PolarHBondContact N-O 3.26Å; V792-A828 HydrophobicContact CG2-CB 3.92Å; V792-A828 CarbonylContact O-C 3.58Å; V792-A828 WeakPolarHBondContact O-CA 3.43Å; V792-Y829 PolarHBondContact O-N 2.93Å
793M93.4Very high91.3Very high51 Ų5131.6 Ų31.625%0.25118%0.183SC..EExtended strand (participates in β ladder)trans-107135168.2-174.2-177.18400109.3F605 T784 V785 L787 Y829 Y831F605-M793 HydrophobicContact CE1-SD 4.19Å; F605-M793 HydrophobicContact CZ-SD 4.1Å; T784-M793 CarbonylContact C-O 3.57Å; T784-M793 VanDerWaalsContact CA-O 3.22Å; T784-M793 WeakPolarHBondContact CA-O 3.48Å; V785-M793 HydrophobicContact CG1-CB 3.82Å; V785-M793 HydrophobicContact CG1-CE 3.76Å; V785-M793 PolarHBondContact N-O 3.13Å; V785-M793 PolarHBondContact O-N 2.82Å; L787-M793 HydrophobicContact CD1-CB 3.97Å; L787-M793 HydrophobicContact CG-CB 4.26Å; M793-Y829 CarbonylContact C-O 3.51Å; M793-Y829 WeakPolarHBondContact CA-O 3.01Å; M793-Y831 HydrophobicContact CG-CD2 4.49Å
794I96.2Very high90.7Very high0 Ų030.6 Ų30.60%018%0.176CC..EExtended strand (participates in β ladder)trans-126.9114.3-178-56.9172.8000106.5I767 I782 K783 T784 V792 I819 L823 A828 Y829 I830 Y831I767-I794 HydrophobicContact CD1-CD1 3.63Å; I767-I794 HydrophobicContact CD1-CG1 4.19Å; I767-I794 HydrophobicContact CG1-CD1 4Å; I767-I794 HydrophobicContact CG2-CD1 4.44Å; I767-I794 HydrophobicContact CG2-CG2 4.07Å; I782-I794 HydrophobicContact CD1-CG2 4.42Å; K783-I794 WeakPolarHBondContact O-CA 3.48Å; T784-I794 HydrophobicContact CG2-CG1 4.12Å; T784-I794 HydrophobicContact CG2-CG2 4.29Å; V792-I794 HydrophobicContact CG2-CD1 4.39Å; V792-I794 HydrophobicContact CG2-CG1 4.45Å; I794-I819 HydrophobicContact CD1-CG2 3.64Å; I794-L823 HydrophobicContact CD1-CD1 4.33Å; I794-A828 HydrophobicContact CD1-CB 4.11Å; I794-Y829 PolarHBondContact N-O 3.33Å; I794-I830 HydrophobicContact CB-CG1 4.43Å; I794-I830 HydrophobicContact CD1-CG1 4.35Å; I794-I830 CarbonylContact O-C 3.59Å; I794-I830 WeakPolarHBondContact O-CA 3.46Å; I794-Y831 PolarHBondContact O-N 3.23Å
795A96.4Very high89.8Confident36 Ų3636.2 Ų36.230%0.29820%0.202SC..EExtended strand (participates in β ladder)trans-113.2123.8171.800000108.1I782 K783 Y831I782-A795 WeakPolarHBondContact CA-O 3.34Å; K783-A795 PolarHBondContact N-O 2.95Å; K783-A795 PolarHBondContact O-N 3.01Å; A795-Y831 CarbonylContact C-O 3.41Å; A795-Y831 VanDerWaalsContact CA-O 3.31Å; A795-Y831 WeakPolarHBondContact CA-O 3.4Å
796A96.3Very high89Confident6 Ų638.5 Ų38.55%0.0523%0.23CC..EExtended strand (participates in β ladder)trans-130.6148.5-179.100000110.8F771 L779 D781 I782 Y831 I832 E833F771-A796 HydrophobicContact CE1-CB 3.84Å; F771-A796 HydrophobicContact CE2-CB 4.3Å; F771-A796 HydrophobicContact CZ-CB 3.43Å; F771-A796 VanDerWaalsContact CZ-CB 3.43Å; L779-A796 HydrophobicContact CD1-CB 4.21Å; D781-A796 CarbonylContact O-C 3.54Å; D781-A796 WeakPolarHBondContact O-CA 3.37Å; I782-A796 HydrophobicContact CG1-CB 4.32Å; A796-Y831 PolarHBondContact N-O 3.14Å; A796-I832 HydrophobicContact CB-CG1 4.49Å; A796-I832 CarbonylContact O-C 3.12Å; A796-I832 WeakPolarHBondContact O-CA 3.34Å; A796-E833 PolarHBondContact O-N 3.31Å
797K93.8Very high88.5Confident31 Ų3142 Ų4214%0.13525%0.248CC..EExtended strand (participates in β ladder)trans-122.6125.6175.8-169.7163.9-178.2146.80109.3I780 D781 E833 D835 Y841I780-K797 WeakPolarHBondContact CA-O 3.43Å; I780-K797 HydrophobicContact CB-CB 4.25Å; I780-K797 HydrophobicContact CB-CG 4.19Å; I780-K797 WeakPolarHBondContact CB-O 3.42Å; I780-K797 HydrophobicContact CD1-CG 4.22Å; I780-K797 HydrophobicContact CG2-CG 4.49Å; I780-K797 PolarHBondContact N-O 3.15Å; D781-K797 HydrophobicContact CB-CB 4.35Å; D781-K797 PolarHBondContact N-O 3.01Å; D781-K797 PolarHBondContact O-N 3.15Å; K797-E833 CarbonylContact C-O 3.56Å; K797-E833 WeakPolarHBondContact CA-O 3.19Å; K797-E833 HydrophobicContact CG-CB 4.45Å; K797-E833 IonicContact NZ-OE1 2.87Å; K797-E833 PolarHBondContact NZ-OE1 3.28Å; K797-E833 IonicContact NZ-OE2 3.93Å; K797-D835 HydrophobicContact CD-CB 4.37Å; K797-D835 VanDerWaalsContact CE-CG 3.42Å; K797-D835 WeakPolarHBondContact CE-OD2 3.48Å; K797-D835 HydrophobicContact CG-CB 4.25Å; K797-D835 IonicContact NZ-OD2 3.88Å; K797-D835 PolarHBondContact NZ-OD2 3.35Å; K797-Y841 HydrophobicContact CD-CE2 4.44Å
798I94.7Very high87.9Confident0 Ų042.9 Ų42.90%026%0.255CS..EExtended strand (participates in β ladder)trans-132.2144.5-170.962.7170.4000112.7F771 V776 K778 L779 I800 V812 I815 I832 E833 T834 D835F771-I798 HydrophobicContact CD1-CG2 3.58Å; F771-I798 HydrophobicContact CE1-CG2 3.64Å; V776-I798 HydrophobicContact CG1-CB 4.27Å; V776-I798 HydrophobicContact CG1-CG2 4.42Å; V776-I798 HydrophobicContact CG2-CD1 4.42Å; K778-I798 WeakPolarHBondContact O-CA 3.4Å; L779-I798 HydrophobicContact CD1-CG2 3.75Å; I798-I800 HydrophobicContact CD1-CD1 4.13Å; I798-I800 HydrophobicContact CD1-CG1 3.94Å; I798-I800 HydrophobicContact CG1-CG1 4.26Å; I798-V812 HydrophobicContact CD1-CG2 4.35Å; I798-I815 HydrophobicContact CD1-CD1 4.14Å; I798-I832 HydrophobicContact CD1-CG2 3.63Å; I798-I832 HydrophobicContact CG1-CG2 3.77Å; I798-I832 HydrophobicContact CG2-CG2 4.29Å; I798-E833 PolarHBondContact N-O 3.01Å; I798-T834 HydrophobicContact CD1-CG2 4.4Å; I798-T834 HydrophobicContact CG1-CG2 4.2Å; I798-T834 CarbonylContact O-C 3.58Å; I798-T834 WeakPolarHBondContact O-CA 3.43Å; I798-D835 PolarHBondContact O-N 3.41Å; I798-D835 VanDerWaalsContact O-O 3.05Å
799D92.5Very high87.7Confident6 Ų649.4 Ų49.43%0.03228%0.281CS..EExtended strand (participates in β ladder)trans-95.9118.5166.3-174.2-5.1000108.7V776 K777 K778 I780 D835 F837V776-D799 CarbonylContact C-O 3.37Å; K777-D799 HydrophobicContact CB-CB 4.36Å; K777-D799 WeakPolarHBondContact CD-OD2 3.36Å; K777-D799 WeakPolarHBondContact CE-OD2 3.32Å; K777-D799 PolarHBondContact N-O 3.26Å; K777-D799 IonicContact NZ-OD1 3.77Å; K777-D799 IonicContact NZ-OD2 3.6Å; K777-D799 PolarHBondContact NZ-OD2 3.25Å; K778-D799 HydrophobicContact CB-CB 4.28Å; K778-D799 PolarHBondContact N-O 2.86Å; K778-D799 PolarHBondContact O-N 3.11Å; I780-D799 HydrophobicContact CD1-CB 4.21Å; I780-D799 HydrophobicContact CG1-CB 4.4Å; D799-D835 WeakPolarHBondContact CA-O 3.42Å; D799-F837 HydrophobicContact CB-CB 3.98Å; D799-F837 WeakPolarHBondContact OD2-CB 3.42Å; D799-F837 PolarHBondContact OD2-N 2.99Å
800I91.4Very high87.5Confident16 Ų1652.2 Ų52.28%0.08230%0.295CS..EExtended strand (participates in β ladder)trans-94.6135.6179.3-66.1-176.8000108I798 D802 S808 T834I798-I800 HydrophobicContact CD1-CD1 4.13Å; I798-I800 HydrophobicContact CD1-CG1 3.94Å; I798-I800 HydrophobicContact CG1-CG1 4.26Å; I800-D802 PolarHBondContact O-N 2.83Å; I800-S808 VanDerWaalsContact CD1-CB 3.44Å; I800-T834 HydrophobicContact CD1-CG2 3.46Å; I800-T834 VanDerWaalsContact CD1-CG2 3.46Å; I800-T834 HydrophobicContact CG1-CG2 4.19Å
801A88.2Confident87.5Confident21 Ų2148.9 Ų48.917%0.17428%0.275CS..PPolyproline II helixtrans-63.8138.6177.800000111.4E775 S803 Y804E775-A801 PolarHBondContact O-N 3.19Å; A801-S803 PolarHBondContact O-N 2.99Å; A801-Y804 HydrophobicContact CB-CD2 4.13Å; A801-Y804 PolarHBondContact O-N 3.04Å
802D85.1Confident87.5Confident131 Ų13148.7 Ų48.770%0.70128%0.275SS*.G310 helixtrans-49-33.6-172-50.2-14.1000114I800 Y804I800-D802 PolarHBondContact O-N 2.83Å; D802-Y804 PolarHBondContact O-N 3.14Å
803S81.6Confident87.2Confident99 Ų9952.1 Ų52.169%0.69229%0.294SS*.G310 helixtrans-67.3-17.6177.653.10000114.7A801A801-S803 PolarHBondContact O-N 2.99Å
804Y81.7Confident86.8Confident76 Ų7653.4 Ų53.430%0.29830%0.299SS..G310 helixtrans-112.6-1-176.1-62.4-89.6000113.3E775 A801 D802 G806 I807 S808E775-Y804 HydrophobicContact CB-CD1 4.01Å; E775-Y804 HydrophobicContact CB-CD2 4.14Å; E775-Y804 HydrophobicContact CB-CE1 4.36Å; E775-Y804 HydrophobicContact CB-CE2 4.46Å; E775-Y804 HydrophobicContact CB-CG 3.92Å; E775-Y804 HydrophobicContact CG-CD1 3.5Å; E775-Y804 VanDerWaalsContact CG-CD1 3.5Å; E775-Y804 HydrophobicContact CG-CD2 4.24Å; E775-Y804 HydrophobicContact CG-CE1 3.47Å; E775-Y804 VanDerWaalsContact CG-CE1 3.47Å; E775-Y804 HydrophobicContact CG-CE2 4.21Å; E775-Y804 HydrophobicContact CG-CG 3.92Å; A801-Y804 HydrophobicContact CB-CD2 4.13Å; A801-Y804 PolarHBondContact O-N 3.04Å; D802-Y804 PolarHBondContact O-N 3.14Å; Y804-G806 VanDerWaalsContact C-N 3.27Å; Y804-G806 PolarHBondContact O-N 3.07Å; Y804-I807 HydrophobicContact CD1-CD1 3.74Å; Y804-I807 HydrophobicContact CD1-CG1 4.28Å; Y804-I807 HydrophobicContact CE1-CD1 4.5Å; Y804-I807 CarbonylContact O-C 3.04Å; Y804-I807 VanDerWaalsContact O-CG1 3.28Å; Y804-I807 WeakPolarHBondContact O-CG1 3.22Å; Y804-I807 PolarHBondContact O-N 3.5Å; Y804-S808 PolarHBondContact O-N 3.49Å; Y804-S808 VanDerWaalsContact O-N 3.14Å
805E77.7Confident86.6Confident137 Ų13753.4 Ų53.464%0.6430%0.299SS*.G310 helixtrans-57.6-39.7-176-164.1179.4-173.800112.3I807 S808E805-I807 PolarHBondContact O-N 2.77Å; E805-S808 WeakPolarHBondContact O-CB 3.46Å; E805-S808 PolarHBondContact O-N 3.16Å; E805-S808 PolarHBondContact O-OG 2.77Å
806G77.4Confident86.2Confident73 Ų7353.6 Ų53.675%0.75329%0.294SS*.G310 helixtrans-66.8-11.8176.300000115.4Y804Y804-G806 VanDerWaalsContact C-N 3.27Å; Y804-G806 PolarHBondContact O-N 3.07Å
807I81.7Confident85.4Confident77 Ų7758.5 Ų58.540%0.39531%0.311SS..G310 helixtrans-125.62317756.6167000112.2Y804 E805 Y809 D810 V811Y804-I807 HydrophobicContact CD1-CD1 3.74Å; Y804-I807 HydrophobicContact CD1-CG1 4.28Å; Y804-I807 HydrophobicContact CE1-CD1 4.5Å; Y804-I807 CarbonylContact O-C 3.04Å; Y804-I807 VanDerWaalsContact O-CG1 3.28Å; Y804-I807 WeakPolarHBondContact O-CG1 3.22Å; Y804-I807 PolarHBondContact O-N 3.5Å; E805-I807 PolarHBondContact O-N 2.77Å; I807-Y809 VanDerWaalsContact C-N 3.29Å; I807-Y809 PolarHBondContact O-N 3.45Å; I807-D810 PolarHBondContact O-N 3.35Å; I807-V811 PolarHBondContact O-N 3.32Å
808S78.8Confident85.1Confident33 Ų3359.7 Ų59.723%0.23132%0.321CS..Hα-helixtrans-52.2-41.4-17948.50000114I800 Y804 E805 D810 V811 V812I800-S808 VanDerWaalsContact CD1-CB 3.44Å; Y804-S808 PolarHBondContact O-N 3.49Å; Y804-S808 VanDerWaalsContact O-N 3.14Å; E805-S808 WeakPolarHBondContact O-CB 3.46Å; E805-S808 PolarHBondContact O-N 3.16Å; E805-S808 PolarHBondContact O-OG 2.77Å; S808-D810 VanDerWaalsContact C-N 3.32Å; S808-D810 PolarHBondContact O-N 2.92Å; S808-V811 WeakPolarHBondContact O-CB 3.46Å; S808-V811 PolarHBondContact O-N 2.52Å; S808-V812 WeakPolarHBondContact O-CG2 3.5Å; S808-V812 PolarHBondContact O-N 3.21Å
809Y84.3Confident84.9Confident138 Ų13859.7 Ų59.754%0.54132%0.321SS..Hα-helixtrans-64-35.3178.568.5-90.1000112.6I807 N813I807-Y809 VanDerWaalsContact C-N 3.29Å; I807-Y809 PolarHBondContact O-N 3.45Å; Y809-N813 WeakPolarHBondContact O-CB 3.29Å; Y809-N813 PolarHBondContact O-N 2.88Å; Y809-N813 PolarHBondContact O-ND2 2.74Å; Y809-N813 VanDerWaalsContact O-ND2 3.15Å
810D81.1Confident84.5Confident70 Ų7064 Ų6437%0.37434%0.336SS..Hα-helixtrans-70-40176.9-80-37.6000111I807 S808 N813 Q814I807-D810 PolarHBondContact O-N 3.35Å; S808-D810 VanDerWaalsContact C-N 3.32Å; S808-D810 PolarHBondContact O-N 2.92Å; D810-N813 PolarHBondContact O-N 2.83Å; D810-Q814 WeakPolarHBondContact O-CB 3.49Å; D810-Q814 PolarHBondContact O-N 3.05Å
811V85.2Confident84Confident4 Ų470.3 Ų70.32%0.02436%0.363CS..Hα-helixtrans-60.5-49.6173.5177.70000110.4E775 V776 I807 S808 Q814 I815E775-V811 HydrophobicContact CB-CG1 3.99Å; E775-V811 HydrophobicContact CB-CG2 4.02Å; E775-V811 HydrophobicContact CG-CG2 4.24Å; V776-V811 HydrophobicContact CG2-CG1 4.31Å; I807-V811 PolarHBondContact O-N 3.32Å; S808-V811 WeakPolarHBondContact O-CB 3.46Å; S808-V811 PolarHBondContact O-N 2.52Å; V811-Q814 WeakPolarHBondContact O-CB 3.25Å; V811-Q814 PolarHBondContact O-N 2.96Å; V811-Q814 VanDerWaalsContact O-N 3.15Å; V811-I815 HydrophobicContact CG1-CD1 3.98Å; V811-I815 WeakPolarHBondContact O-CG1 3.41Å; V811-I815 PolarHBondContact O-N 3.23Å
812V88.8Confident83.9Confident18 Ų1870.9 Ų70.911%0.10937%0.368CS..Hα-helixtrans-57.9-50.5176.6166.90000111I798 S808 Q814 I815 E816 I832 T834I798-V812 HydrophobicContact CD1-CG2 4.35Å; S808-V812 WeakPolarHBondContact O-CG2 3.5Å; S808-V812 PolarHBondContact O-N 3.21Å; V812-Q814 PolarHBondContact O-N 3.31Å; V812-I815 PolarHBondContact O-N 2.98Å; V812-I815 VanDerWaalsContact O-N 3.09Å; V812-E816 PolarHBondContact O-N 2.82Å; V812-I832 HydrophobicContact CG1-CB 3.98Å; V812-I832 HydrophobicContact CG1-CD1 4.19Å; V812-I832 HydrophobicContact CG1-CG1 4.4Å; V812-I832 HydrophobicContact CG2-CB 4.32Å; V812-I832 HydrophobicContact CG2-CG2 4.08Å; V812-T834 HydrophobicContact CG2-CG2 4.26Å
813N84.7Confident83.9Confident72 Ų7264.7 Ų64.739%0.38534%0.335SS..Hα-helixtrans-57.6-35.8177.4-75.4-27.7000112Y809 D810 R817Y809-N813 WeakPolarHBondContact O-CB 3.29Å; Y809-N813 PolarHBondContact O-N 2.88Å; Y809-N813 PolarHBondContact O-ND2 2.74Å; Y809-N813 VanDerWaalsContact O-ND2 3.15Å; D810-N813 PolarHBondContact O-N 2.83Å; N813-R817 WeakPolarHBondContact O-CB 3.43Å; N813-R817 VanDerWaalsContact O-CG 3.28Å; N813-R817 WeakPolarHBondContact O-CG 2.86Å; N813-R817 PolarHBondContact O-N 3.39Å; N813-R817 VanDerWaalsContact O-N 3.14Å; N813-R817 PolarHBondContact O-NE 3.46Å
814Q86.1Confident83.5Confident77 Ų7764.8 Ų64.836%0.3633%0.333SS..Hα-helixtrans-72.6-39.2177.6-165.1-172.15.500112R773 D810 V811 V812 R817 V818R773-Q814 VanDerWaalsContact NH1-CD 3.26Å; D810-Q814 WeakPolarHBondContact O-CB 3.49Å; D810-Q814 PolarHBondContact O-N 3.05Å; V811-Q814 WeakPolarHBondContact O-CB 3.25Å; V811-Q814 PolarHBondContact O-N 2.96Å; V811-Q814 VanDerWaalsContact O-N 3.15Å; V812-Q814 PolarHBondContact O-N 3.31Å; Q814-R817 PolarHBondContact O-N 3.48Å; Q814-V818 WeakPolarHBondContact O-CG2 3.32Å; Q814-V818 PolarHBondContact O-N 3.2Å
815I91.6Very high83.3Confident0 Ų065.6 Ų65.60%034%0.343CS..Hα-helixtrans-62.8-48.4174.5-67.1165.5000109.9A770 F771 V776 I798 V811 V812 R817 V818 I819 I832A770-I815 HydrophobicContact CB-CG2 4.26Å; F771-I815 HydrophobicContact CD1-CD1 4.02Å; F771-I815 HydrophobicContact CD1-CG2 3.89Å; F771-I815 HydrophobicContact CE1-CD1 4.31Å; F771-I815 HydrophobicContact CE1-CG2 3.6Å; F771-I815 HydrophobicContact CE2-CG2 4.31Å; F771-I815 HydrophobicContact CG-CG2 4.39Å; F771-I815 HydrophobicContact CZ-CG2 3.82Å; V776-I815 HydrophobicContact CG2-CD1 3.86Å; I798-I815 HydrophobicContact CD1-CD1 4.14Å; V811-I815 HydrophobicContact CG1-CD1 3.98Å; V811-I815 WeakPolarHBondContact O-CG1 3.41Å; V811-I815 PolarHBondContact O-N 3.23Å; V812-I815 PolarHBondContact O-N 2.98Å; V812-I815 VanDerWaalsContact O-N 3.09Å; I815-R817 VanDerWaalsContact C-N 3.26Å; I815-R817 PolarHBondContact O-N 2.95Å; I815-V818 PolarHBondContact O-N 3.48Å; I815-V818 VanDerWaalsContact O-N 3.11Å; I815-I819 HydrophobicContact CG2-CD1 3.79Å; I815-I819 HydrophobicContact CG2-CG1 4.37Å; I815-I819 WeakPolarHBondContact O-CG1 3.26Å; I815-I819 PolarHBondContact O-N 2.89Å; I815-I832 HydrophobicContact CB-CD1 4.07Å; I815-I832 HydrophobicContact CG2-CD1 3.67Å
816E88.2Confident83.5Confident41 Ų4160.9 Ų60.919%0.19232%0.32CS..Hα-helixtrans-54.3-44.8175.7-74.2-160.7-153.100111.9V812 I819 R820 I830 I832V812-E816 PolarHBondContact O-N 2.82Å; E816-I819 PolarHBondContact O-N 3.4Å; E816-R820 WeakPolarHBondContact O-CB 3.44Å; E816-R820 VanDerWaalsContact O-CG 3.24Å; E816-R820 WeakPolarHBondContact O-CG 3.42Å; E816-R820 PolarHBondContact O-N 3.18Å; E816-R820 IonicContact OE2-CZ 3.46Å; E816-R820 IonicContact OE2-NE 3.37Å; E816-R820 IonicContact OE2-NH2 3.97Å; E816-R820 PolarHBondContact OE2-NH2 3.4Å; E816-R820 VanDerWaalsContact OE2-NH2 3.07Å; E816-I830 HydrophobicContact CB-CD1 4.16Å; E816-I830 HydrophobicContact CG-CB 4.05Å; E816-I830 HydrophobicContact CG-CD1 4.22Å; E816-I830 HydrophobicContact CG-CG2 3.79Å; E816-I832 HydrophobicContact CG-CD1 4.09Å
817R78.3Confident83.7Confident108 Ų10859.7 Ų59.741%0.40829%0.294SS..Hα-helixtrans-60.4-46176.5-81.1176-81152.3-4.2112.2E485 N813 Q814 I815 R820 K821E485-R817 WeakPolarHBondContact OE1-CD 3.21Å; E485-R817 IonicContact OE1-CZ 2.66Å; E485-R817 IonicContact OE1-NE 3.42Å; E485-R817 IonicContact OE1-NH1 3.13Å; E485-R817 PolarHBondContact OE1-NH1 3.04Å; N813-R817 WeakPolarHBondContact O-CB 3.43Å; N813-R817 VanDerWaalsContact O-CG 3.28Å; N813-R817 WeakPolarHBondContact O-CG 2.86Å; N813-R817 PolarHBondContact O-N 3.39Å; N813-R817 VanDerWaalsContact O-N 3.14Å; N813-R817 PolarHBondContact O-NE 3.46Å; Q814-R817 PolarHBondContact O-N 3.48Å; I815-R817 VanDerWaalsContact C-N 3.26Å; I815-R817 PolarHBondContact O-N 2.95Å; R817-R820 PolarHBondContact O-N 3.43Å; R817-K821 WeakPolarHBondContact O-CB 3.08Å; R817-K821 PolarHBondContact O-N 2.94Å
818V87.6Confident84.1Confident57 Ų5756.2 Ų56.235%0.34528%0.277SS..Hα-helixtrans-63.5-42.8178.4172.40000111.3A770 Q814 I815 K821 A822A770-V818 HydrophobicContact CB-CB 4.09Å; A770-V818 HydrophobicContact CB-CG1 3.66Å; Q814-V818 WeakPolarHBondContact O-CG2 3.32Å; Q814-V818 PolarHBondContact O-N 3.2Å; I815-V818 PolarHBondContact O-N 3.48Å; I815-V818 VanDerWaalsContact O-N 3.11Å; V818-K821 PolarHBondContact O-N 3.44Å; V818-A822 WeakPolarHBondContact O-CB 3.39Å; V818-A822 PolarHBondContact O-N 3.48Å
819I90.5Very high84.5Confident0 Ų055.7 Ų55.70%027%0.27CS..Hα-helixtrans-60.4-48.5176.4-67.7169.4000110.6I767 A770 F771 I794 I815 E816 K821 A822 L823 I830I767-I819 HydrophobicContact CG1-CG2 4.17Å; I767-I819 HydrophobicContact CG2-CD1 4Å; I767-I819 HydrophobicContact CG2-CG1 4.27Å; A770-I819 HydrophobicContact CB-CD1 4.31Å; A770-I819 HydrophobicContact CB-CG1 3.53Å; F771-I819 HydrophobicContact CE2-CD1 3.95Å; F771-I819 HydrophobicContact CZ-CD1 4.04Å; I794-I819 HydrophobicContact CD1-CG2 3.64Å; I815-I819 HydrophobicContact CG2-CD1 3.79Å; I815-I819 HydrophobicContact CG2-CG1 4.37Å; I815-I819 WeakPolarHBondContact O-CG1 3.26Å; I815-I819 PolarHBondContact O-N 2.89Å; E816-I819 PolarHBondContact O-N 3.4Å; I819-K821 VanDerWaalsContact C-N 3.3Å; I819-K821 PolarHBondContact O-N 3.34Å; I819-A822 PolarHBondContact O-N 2.93Å; I819-A822 VanDerWaalsContact O-N 3.13Å; I819-L823 HydrophobicContact CG2-CD1 4.12Å; I819-L823 PolarHBondContact O-N 2.79Å; I819-L823 VanDerWaalsContact O-N 3.11Å; I819-I830 HydrophobicContact CB-CD1 3.9Å; I819-I830 HydrophobicContact CD1-CD1 4.35Å; I819-I830 HydrophobicContact CD1-CG2 4.48Å; I819-I830 HydrophobicContact CG2-CD1 3.68Å
820R84.9Confident84.9Confident96 Ų9649.7 Ų49.736%0.36225%0.247SC..Hα-helixtrans-61.7-37.8179.1-69.5172.9-163.8-68.4-4.5112E816 R817 A822 L823 A828 I830E816-R820 WeakPolarHBondContact O-CB 3.44Å; E816-R820 VanDerWaalsContact O-CG 3.24Å; E816-R820 WeakPolarHBondContact O-CG 3.42Å; E816-R820 PolarHBondContact O-N 3.18Å; E816-R820 IonicContact OE2-CZ 3.46Å; E816-R820 IonicContact OE2-NE 3.37Å; E816-R820 IonicContact OE2-NH2 3.97Å; E816-R820 PolarHBondContact OE2-NH2 3.4Å; E816-R820 VanDerWaalsContact OE2-NH2 3.07Å; R817-R820 PolarHBondContact O-N 3.43Å; R820-A822 VanDerWaalsContact C-N 3.35Å; R820-L823 CarbonylContact O-C 3.54Å; R820-L823 PolarHBondContact O-N 2.84Å; R820-A828 PolarHBondContact NH1-O 3.48Å; R820-I830 HydrophobicContact CG-CD1 4.03Å
821K81.5Confident85.5Confident149 Ų14952.3 Ų52.365%0.64825%0.253SS*.Hα-helixtrans-68.1-34.7175.5-170.8174.7-179175.80112.2R817 V818 I819 L823R817-K821 WeakPolarHBondContact O-CB 3.08Å; R817-K821 PolarHBondContact O-N 2.94Å; V818-K821 PolarHBondContact O-N 3.44Å; I819-K821 VanDerWaalsContact C-N 3.3Å; I819-K821 PolarHBondContact O-N 3.34Å; K821-L823 VanDerWaalsContact C-N 3.33Å
822A86Confident85.9Confident32 Ų3253.4 Ų53.426%0.26426%0.258SS..Hα-helixtrans-76.8-18.2179.800000113.8K766 V818 I819 R820 P824K766-A822 HydrophobicContact CB-CB 4.11Å; V818-A822 WeakPolarHBondContact O-CB 3.39Å; V818-A822 PolarHBondContact O-N 3.48Å; I819-A822 PolarHBondContact O-N 2.93Å; I819-A822 VanDerWaalsContact O-N 3.13Å; R820-A822 VanDerWaalsContact C-N 3.35Å; A822-P824 VanDerWaalsContact C-CD 3.44Å; A822-P824 WeakPolarHBondContact O-CD 3.41Å
823L84.6Confident86Confident1 Ų157.7 Ų57.71%0.00528%0.277CS..  trans-12362.9-178.6-58.2177000111.8D763 K766 I767 I794 I819 R820 K821 D825 K826D763-L823 HydrophobicContact CB-CD2 3.76Å; D763-L823 WeakPolarHBondContact OD1-CD2 3.45Å; K766-L823 HydrophobicContact CD-CD2 4.18Å; I767-L823 HydrophobicContact CD1-CD1 3.97Å; I767-L823 HydrophobicContact CG1-CD1 3.82Å; I794-L823 HydrophobicContact CD1-CD1 4.33Å; I819-L823 HydrophobicContact CG2-CD1 4.12Å; I819-L823 PolarHBondContact O-N 2.79Å; I819-L823 VanDerWaalsContact O-N 3.11Å; R820-L823 CarbonylContact O-C 3.54Å; R820-L823 PolarHBondContact O-N 2.84Å; K821-L823 VanDerWaalsContact C-N 3.33Å; L823-D825 PolarHBondContact O-N 3.04Å; L823-K826 HydrophobicContact CB-CB 4.43Å; L823-K826 PolarHBondContact O-N 2.88Å; L823-K826 VanDerWaalsContact O-O 3.13Å
824P72.7Confident86.2Confident101 Ų10157.6 Ų57.666%0.65628%0.279SS*.THydrogen-bonded Turntrans-68.2-22.5-172.829.4-36.5000114A822A822-P824 VanDerWaalsContact C-CD 3.44Å; A822-P824 WeakPolarHBondContact O-CD 3.41Å
825D77.3Confident86.3Confident94 Ų9457.5 Ų57.550%0.50328%0.281SS..THydrogen-bonded Turntrans-84.9-7.6179.762.1-49.5000113.2L823L823-D825 PolarHBondContact O-N 3.04Å
826K83.4Confident86Confident37 Ų3764.5 Ų64.516%0.16131%0.314CS..SBendtrans-126141.5-173.6-57.8-178.3-176.467.80112.6D763 T790 V792 L823 A828D763-K826 IonicContact OD1-NZ 3.5Å; D763-K826 WeakPolarHBondContact OD2-CE 3.44Å; D763-K826 IonicContact OD2-NZ 2.79Å; D763-K826 PolarHBondContact OD2-NZ 2.94Å; T790-K826 CarbonylContact O-C 3.56Å; T790-K826 VanDerWaalsContact O-CA 3.3Å; T790-K826 WeakPolarHBondContact O-CA 3.39Å; V792-K826 HydrophobicContact CG1-CD 3.98Å; V792-K826 HydrophobicContact CG2-CB 4.37Å; L823-K826 HydrophobicContact CB-CB 4.43Å; L823-K826 PolarHBondContact O-N 2.88Å; L823-K826 VanDerWaalsContact O-O 3.13Å; K826-A828 PolarHBondContact O-N 2.9Å
827K81.6Confident85.9Confident48 Ų4865.2 Ų65.221%0.20932%0.316CS..EExtended strand (participates in β ladder)trans-85108.8168-172.8-170.6-174.2-168.80109.2M5 T790 E791 V792 Y829M5-K827 HydrophobicContact CE-CD 4.13Å; T790-K827 PolarHBondContact O-N 3.31Å; E791-K827 WeakPolarHBondContact CA-O 3.4Å; E791-K827 HydrophobicContact CG-CB 4.25Å; E791-K827 HydrophobicContact CG-CD 4.18Å; E791-K827 VanDerWaalsContact OE1-CD 3.31Å; E791-K827 WeakPolarHBondContact OE1-CD 3.48Å; E791-K827 IonicContact OE1-NZ 3.66Å; E791-K827 PolarHBondContact OE1-NZ 3.05Å; E791-K827 VanDerWaalsContact OE1-NZ 3.13Å; V792-K827 PolarHBondContact N-O 3.26Å; K827-Y829 HydrophobicContact CD-CE2 4.3Å; K827-Y829 VanDerWaalsContact CE-OH 3.25Å; K827-Y829 WeakPolarHBondContact CE-OH 3.48Å; K827-Y829 PolarHBondContact NZ-OH 3.37Å
828A88.1Confident86.2Confident5 Ų562.3 Ų62.34%0.04131%0.309CS..EExtended strand (participates in β ladder)trans-97.2123.1-179.100000112.5V792 I794 R820 K826 I830V792-A828 HydrophobicContact CG2-CB 3.92Å; V792-A828 CarbonylContact O-C 3.58Å; V792-A828 WeakPolarHBondContact O-CA 3.43Å; I794-A828 HydrophobicContact CD1-CB 4.11Å; R820-A828 PolarHBondContact NH1-O 3.48Å; K826-A828 PolarHBondContact O-N 2.9Å; A828-I830 HydrophobicContact CB-CD1 4.13Å; A828-I830 HydrophobicContact CB-CG1 3.92Å
829Y88.7Confident85.8Confident22 Ų2264.8 Ų64.89%0.08633%0.326CS..EExtended strand (participates in β ladder)trans-91.2112.1164.7-62.9-79.4000108F605 L787 V792 M793 I794 K827F605-Y829 HydrophobicContact CD1-CD1 4.27Å; F605-Y829 HydrophobicContact CD1-CD2 4.47Å; F605-Y829 HydrophobicContact CD1-CG 4.2Å; F605-Y829 PolarHBondContact O-OH 3.36Å; L787-Y829 HydrophobicContact CD1-CD2 3.63Å; L787-Y829 HydrophobicContact CD1-CE2 3.9Å; V792-Y829 PolarHBondContact O-N 2.93Å; M793-Y829 CarbonylContact C-O 3.51Å; M793-Y829 WeakPolarHBondContact CA-O 3.01Å; I794-Y829 PolarHBondContact N-O 3.33Å; K827-Y829 HydrophobicContact CD-CE2 4.3Å; K827-Y829 VanDerWaalsContact CE-OH 3.25Å; K827-Y829 WeakPolarHBondContact CE-OH 3.48Å; K827-Y829 PolarHBondContact NZ-OH 3.37Å
830I92.4Very high85.3Confident12 Ų1268.3 Ų68.36%0.06235%0.345CS..EExtended strand (participates in β ladder)trans-115.4128.9-170.7-50.1175.2000108.8I794 E816 I819 R820 A828 I832I794-I830 HydrophobicContact CB-CG1 4.43Å; I794-I830 HydrophobicContact CD1-CG1 4.35Å; I794-I830 CarbonylContact O-C 3.59Å; I794-I830 WeakPolarHBondContact O-CA 3.46Å; E816-I830 HydrophobicContact CB-CD1 4.16Å; E816-I830 HydrophobicContact CG-CB 4.05Å; E816-I830 HydrophobicContact CG-CD1 4.22Å; E816-I830 HydrophobicContact CG-CG2 3.79Å; I819-I830 HydrophobicContact CB-CD1 3.9Å; I819-I830 HydrophobicContact CD1-CD1 4.35Å; I819-I830 HydrophobicContact CD1-CG2 4.48Å; I819-I830 HydrophobicContact CG2-CD1 3.68Å; R820-I830 HydrophobicContact CG-CD1 4.03Å; A828-I830 HydrophobicContact CB-CD1 4.13Å; A828-I830 HydrophobicContact CB-CG1 3.92Å; I830-I832 HydrophobicContact CG2-CD1 3.98Å; I830-I832 HydrophobicContact CG2-CG1 3.77Å
831Y92.6Very high84.8Confident125 Ų12566.3 Ų66.349%0.4934%0.338SS..EExtended strand (participates in β ladder)trans-129.8118.2173.4-62.5-84.9000108F605 M793 I794 A795 A796F605-Y831 AromaticContact CE1-CE2 3.97Å; F605-Y831 HydrophobicContact CE1-CE2 3.97Å; F605-Y831 HydrophobicContact CZ-CE2 4.38Å; M793-Y831 HydrophobicContact CG-CD2 4.49Å; I794-Y831 PolarHBondContact O-N 3.23Å; A795-Y831 CarbonylContact C-O 3.41Å; A795-Y831 VanDerWaalsContact CA-O 3.31Å; A795-Y831 WeakPolarHBondContact CA-O 3.4Å; A796-Y831 PolarHBondContact N-O 3.14Å
832I93.8Very high84.3Confident27 Ų2764.4 Ų64.414%0.13834%0.335CS..EExtended strand (participates in β ladder)trans-118.4117.4-179.3-52.7-177.3000108F771 A796 I798 V812 I815 E816 I830F771-I832 HydrophobicContact CE1-CD1 4.03Å; F771-I832 HydrophobicContact CE1-CG2 4.42Å; F771-I832 HydrophobicContact CZ-CD1 4.17Å; A796-I832 HydrophobicContact CB-CG1 4.49Å; A796-I832 CarbonylContact O-C 3.12Å; A796-I832 WeakPolarHBondContact O-CA 3.34Å; I798-I832 HydrophobicContact CD1-CG2 3.63Å; I798-I832 HydrophobicContact CG1-CG2 3.77Å; I798-I832 HydrophobicContact CG2-CG2 4.29Å; V812-I832 HydrophobicContact CG1-CB 3.98Å; V812-I832 HydrophobicContact CG1-CD1 4.19Å; V812-I832 HydrophobicContact CG1-CG1 4.4Å; V812-I832 HydrophobicContact CG2-CB 4.32Å; V812-I832 HydrophobicContact CG2-CG2 4.08Å; I815-I832 HydrophobicContact CB-CD1 4.07Å; I815-I832 HydrophobicContact CG2-CD1 3.67Å; E816-I832 HydrophobicContact CG-CD1 4.09Å; I830-I832 HydrophobicContact CG2-CD1 3.98Å; I830-I832 HydrophobicContact CG2-CG1 3.77Å
833E91.6Very high83.5Confident108 Ų10871.2 Ų71.251%0.50535%0.354SS..EExtended strand (participates in β ladder)trans-96.1133.2173.6-173.3-172.1157.800109.2A796 K797 I798A796-E833 PolarHBondContact O-N 3.31Å; K797-E833 CarbonylContact C-O 3.56Å; K797-E833 WeakPolarHBondContact CA-O 3.19Å; K797-E833 HydrophobicContact CG-CB 4.45Å; K797-E833 IonicContact NZ-OE1 2.87Å; K797-E833 PolarHBondContact NZ-OE1 3.28Å; K797-E833 IonicContact NZ-OE2 3.93Å; I798-E833 PolarHBondContact N-O 3.01Å
834T89.7Confident82.5Confident70 Ų7076.8 Ų76.843%0.42938%0.378SS..EExtended strand (participates in β ladder)trans-96.2127.9173.255.90000109.3I798 I800 V812I798-T834 HydrophobicContact CD1-CG2 4.4Å; I798-T834 HydrophobicContact CG1-CG2 4.2Å; I798-T834 CarbonylContact O-C 3.58Å; I798-T834 WeakPolarHBondContact O-CA 3.43Å; I800-T834 HydrophobicContact CD1-CG2 3.46Å; I800-T834 VanDerWaalsContact CD1-CG2 3.46Å; I800-T834 HydrophobicContact CG1-CG2 4.19Å; V812-T834 HydrophobicContact CG2-CG2 4.26Å
835D88.3Confident81.8Confident75 Ų7577.9 Ų77.940%0.40137%0.369SS..  trans-151.9160.2178.1-163.611.4000110.9I780 K797 I798 D799I780-D835 HydrophobicContact CD1-CB 4.34Å; K797-D835 HydrophobicContact CD-CB 4.37Å; K797-D835 VanDerWaalsContact CE-CG 3.42Å; K797-D835 WeakPolarHBondContact CE-OD2 3.48Å; K797-D835 HydrophobicContact CG-CB 4.25Å; K797-D835 IonicContact NZ-OD2 3.88Å; K797-D835 PolarHBondContact NZ-OD2 3.35Å; I798-D835 PolarHBondContact O-N 3.41Å; I798-D835 VanDerWaalsContact O-O 3.05Å; D799-D835 WeakPolarHBondContact CA-O 3.42Å
836E85.5Confident80.8Confident146 Ų14679.9 Ų79.968%0.68238%0.375SS*.  trans-79.5134.8177.7-163.1177.3178.700110.4D838E836-D838 PolarHBondContact O-N 3.38Å; E836-D838 VanDerWaalsContact O-N 3.14Å
837F85.6Confident79.5Confident57 Ų5782.4 Ų82.425%0.2539%0.394CS..  trans-70.3113.2179.8174.7-108.1000111.8K778 I780 D799 P839K778-F837 HydrophobicContact CD-CD1 3.99Å; K778-F837 HydrophobicContact CD-CD2 3.68Å; K778-F837 HydrophobicContact CD-CE1 4.2Å; K778-F837 HydrophobicContact CD-CE2 3.91Å; K778-F837 HydrophobicContact CD-CG 3.76Å; K778-F837 HydrophobicContact CD-CZ 4.19Å; I780-F837 HydrophobicContact CD1-CB 4.3Å; I780-F837 HydrophobicContact CG1-CB 4.39Å; I780-F837 HydrophobicContact CG1-CD2 4.15Å; D799-F837 HydrophobicContact CB-CB 3.98Å; D799-F837 WeakPolarHBondContact OD2-CB 3.42Å; D799-F837 PolarHBondContact OD2-N 2.99Å; F837-P839 HydrophobicContact CE1-CG 4.48Å
838D83.1Confident78Confident47 Ų4787 Ų8725%0.25142%0.416SS..  trans-85.7122.3169.5-174.1-11.7000111.2E836 D840 Y841 K844E836-D838 PolarHBondContact O-N 3.38Å; E836-D838 VanDerWaalsContact O-N 3.14Å; D838-D840 PolarHBondContact O-N 3.3Å; D838-D840 VanDerWaalsContact O-N 3.16Å; D838-D840 PolarHBondContact OD1-N 2.98Å; D838-Y841 WeakPolarHBondContact O-CB 3.37Å; D838-Y841 PolarHBondContact O-N 3.14Å; D838-K844 WeakPolarHBondContact OD2-CE 3.37Å; D838-K844 IonicContact OD2-NZ 3.92Å; D838-K844 PolarHBondContact OD2-NZ 3.25Å
839P81.1Confident76Confident109 Ų10991 Ų9171%0.70844%0.444SS*.THydrogen-bonded Turntrans-55.5-27.2173.5-24.334000114.7F837F837-P839 HydrophobicContact CE1-CG 4.48Å
840D78.9Confident73.9Confident73 Ų7397 Ų9739%0.3948%0.478SS..THydrogen-bonded Turntrans-90.48.6178.2-77.9-46000113.5D838 D842 R843 K844D838-D840 PolarHBondContact O-N 3.3Å; D838-D840 VanDerWaalsContact O-N 3.16Å; D838-D840 PolarHBondContact OD1-N 2.98Å; D840-D842 VanDerWaalsContact C-N 3.34Å; D840-D842 PolarHBondContact O-N 3.35Å; D840-R843 PolarHBondContact O-N 2.88Å; D840-R843 IonicContact OD1-CZ 3.89Å; D840-R843 IonicContact OD1-NH1 3.04Å; D840-R843 PolarHBondContact OD1-NH1 3.04Å; D840-K844 PolarHBondContact O-N 3.22Å
841Y74.2Confident71.2Confident54 Ų54104.3 Ų104.321%0.21252%0.523CS..Hα-helixtrans-50.3-46.8-175.5-174.7-93.7000113.6I780 D781 K797 D838 R845I780-Y841 HydrophobicContact CG2-CD1 3.86Å; I780-Y841 HydrophobicContact CG2-CD2 3.74Å; I780-Y841 HydrophobicContact CG2-CE1 3.65Å; I780-Y841 HydrophobicContact CG2-CE2 3.54Å; I780-Y841 HydrophobicContact CG2-CG 3.9Å; I780-Y841 VanDerWaalsContact CG2-CZ 3.49Å; D781-Y841 HydrophobicContact CB-CE1 4.29Å; K797-Y841 HydrophobicContact CD-CE2 4.44Å; D838-Y841 WeakPolarHBondContact O-CB 3.37Å; D838-Y841 PolarHBondContact O-N 3.14Å; Y841-R845 PolarHBondContact O-N 2.95Å
842D70.7Confident70.1Confident110 Ų110103.3 Ų103.359%0.58852%0.524SS*.Hα-helixtrans-70.1-35179.8-71.2-37.9000112.8D840 R845 Q846D840-D842 VanDerWaalsContact C-N 3.34Å; D840-D842 PolarHBondContact O-N 3.35Å; D842-R845 PolarHBondContact O-N 2.88Å; D842-Q846 PolarHBondContact O-N 2.94Å; D842-Q846 VanDerWaalsContact O-N 3.12Å
843R70Confident68.9Low175 Ų175107.3 Ų107.366%0.6655%0.545SS*.Hα-helixtrans-68.9-41.6179.4-165.9-174.8-77.9165.9-6.5110.8D840 R845 Q846 T847D840-R843 PolarHBondContact O-N 2.88Å; D840-R843 IonicContact OD1-CZ 3.89Å; D840-R843 IonicContact OD1-NH1 3.04Å; D840-R843 PolarHBondContact OD1-NH1 3.04Å; R843-R845 VanDerWaalsContact C-N 3.29Å; R843-R845 PolarHBondContact O-N 2.73Å; R843-Q846 PolarHBondContact O-N 2.82Å; R843-T847 PolarHBondContact O-N 3.07Å; R843-T847 PolarHBondContact O-OG1 3.23Å
844K63.1Low67.6Low117 Ų117107.3 Ų107.351%0.50955%0.547SS..Hα-helixtrans-62.2-35.9173.9-74179.1178171.30112.3D838 D840 T847 Q848D838-K844 WeakPolarHBondContact OD2-CE 3.37Å; D838-K844 IonicContact OD2-NZ 3.92Å; D838-K844 PolarHBondContact OD2-NZ 3.25Å; D840-K844 PolarHBondContact O-N 3.22Å; K844-T847 WeakPolarHBondContact CA-OG1 3.09Å; K844-T847 PolarHBondContact O-OG1 3.27Å; K844-Q848 PolarHBondContact O-N 3.32Å
845R59.3Low66.3Low124 Ų124109.5 Ų109.547%0.46855%0.554SS.*Hα-helixtrans-68.6-40.8178-170.3178.1174.6-166.4-4.3112.7D781 K783 Y841 D842 R843 Q848 S849D781-R845 IonicContact OD1-NH1 3Å; K783-R845 VanDerWaalsContact NZ-NH2 3.15Å; Y841-R845 PolarHBondContact O-N 2.95Å; D842-R845 PolarHBondContact O-N 2.88Å; R843-R845 VanDerWaalsContact C-N 3.29Å; R843-R845 PolarHBondContact O-N 2.73Å; R845-Q848 PolarHBondContact O-N 3.33Å; R845-S849 PolarHBondContact O-N 2.91Å
846Q56.5Low65Low136 Ų136111.6 Ų111.664%0.63656%0.563SS**Hα-helixtrans-65.2-39.8176.4-73.5178.7-7.200112.2D842 R843 Q848 S849D842-Q846 PolarHBondContact O-N 2.94Å; D842-Q846 VanDerWaalsContact O-N 3.12Å; R843-Q846 PolarHBondContact O-N 2.82Å; Q846-Q848 PolarHBondContact O-N 3.06Å; Q846-S849 PolarHBondContact O-N 3.08Å; Q846-S849 VanDerWaalsContact O-N 3.17Å; Q846-S849 PolarHBondContact O-OG 3.41Å
847T54.9Low63.6Low90 Ų90109.3 Ų109.355%0.55256%0.556SS**Hα-helixtrans-66.2-20.4176.444.10000114.3R843 K844R843-T847 PolarHBondContact O-N 3.07Å; R843-T847 PolarHBondContact O-OG1 3.23Å; K844-T847 WeakPolarHBondContact CA-OG1 3.09Å; K844-T847 PolarHBondContact O-OG1 3.27Å
848Q49.7Very low62Low146 Ų146113.1 Ų113.168%0.68258%0.577SS**Hα-helixtrans-86.7-15.7175.1-77.3-178.6-7.800113.7K844 R845 Q846 T851K844-Q848 PolarHBondContact O-N 3.32Å; R845-Q848 PolarHBondContact O-N 3.33Å; Q846-Q848 PolarHBondContact O-N 3.06Å; Q848-T851 PolarHBondContact O-OG1 2.54Å; Q848-T851 VanDerWaalsContact O-OG1 3.1Å
849S47.1Very low60.4Low89 Ų89118.2 Ų118.262%0.62260%0.602SS**Hα-helixtrans-87.9-16.7175.758.40000113.8R845 Q846 T851R845-S849 PolarHBondContact O-N 2.91Å; Q846-S849 PolarHBondContact O-N 3.08Å; Q846-S849 VanDerWaalsContact O-N 3.17Å; Q846-S849 PolarHBondContact O-OG 3.41Å; S849-T851 VanDerWaalsContact C-N 3.31Å
850D43.2Very low58.7Low148 Ų148118.9 Ų118.979%0.79159%0.594SS**  trans-87.1-1.8175.5-69.6-12.9000112.8
851T36.8Very low56.9Low165 Ų165123.1 Ų123.1100%1.01261%0.612SS**  trans-110.50171.756.80000110.3Q848 S849Q848-T851 PolarHBondContact O-OG1 2.54Å; Q848-T851 VanDerWaalsContact O-OG1 3.1Å; S849-T851 VanDerWaalsContact C-N 3.31Å

Retrieved 851 of 851 residues in 1272.2 ms (Link to these results)

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