A0A2K6M734_RHIBE Loading...

E2 ubiquitin-conjugating enzyme

AlphaFold DB , UniProt , Accession A0A2K6M734, Species RHIBE (Rhinopithecus bieti, Black snub-nosed monkey), Gene n/a, Length 152 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
1M57.3Low92.4Very high233 Ų23389.3 Ų89.3100%1.14843%0.425SS*.  0138.40-73.5-158.1-90.900108.8T3M1-T3 PolarHBondContact O-N 2.87Å
2S82.4Confident92.9Very high73 Ų7382.1 Ų82.151%0.5139%0.391SS..  trans-74.7121.7178.8-171.60000110.4R7S2-R7 WeakPolarHBondContact OG-CG 3.42Å
3T95.4Very high93.2Very high36 Ų3678.8 Ų78.822%0.22137%0.374CS..  trans-72.7162.2177.4650000111.1M1 A5 R6 R7 E61M1-T3 PolarHBondContact O-N 2.87Å; T3-A5 VanDerWaalsContact C-N 3.29Å; T3-A5 PolarHBondContact O-N 2.98Å; T3-R6 PolarHBondContact O-N 3.44Å; T3-R6 VanDerWaalsContact OG1-CG 3.27Å; T3-R6 WeakPolarHBondContact OG1-CG 3.48Å; T3-R6 PolarHBondContact OG1-N 3.32Å; T3-R7 PolarHBondContact O-N 3.03Å; T3-E61 WeakPolarHBondContact CB-OE2 3.37Å; T3-E61 VanDerWaalsContact CG2-OE2 3.3Å; T3-E61 WeakPolarHBondContact CG2-OE2 3.34Å; T3-E61 PolarHBondContact OG1-OE2 3.12Å
4P97.2Very high93.5Very high95 Ų9581.3 Ų81.362%0.61738%0.383SS*.Hα-helixtrans-54.2-43.5171.5-25.835.5000112.9R7 R8P4-R7 PolarHBondContact O-N 2.97Å; P4-R8 WeakPolarHBondContact O-CB 3.4Å; P4-R8 PolarHBondContact O-N 3.37Å
5A97.9Very high93.7Very high0 Ų084.7 Ų84.70%039%0.391CS..Hα-helixtrans-58.9-48.2177.200000111.9T3 R7 R8 L9 M34 Y63T3-A5 VanDerWaalsContact C-N 3.29Å; T3-A5 PolarHBondContact O-N 2.98Å; A5-R7 PolarHBondContact O-N 3.24Å; A5-R8 WeakPolarHBondContact O-CB 3.28Å; A5-R8 PolarHBondContact O-N 3.06Å; A5-R8 VanDerWaalsContact O-N 3.17Å; A5-L9 WeakPolarHBondContact O-CG 3.46Å; A5-L9 PolarHBondContact O-N 3.07Å; A5-M34 HydrophobicContact CB-CE 4.14Å; A5-Y63 WeakPolarHBondContact CA-O 3.49Å; A5-Y63 VanDerWaalsContact CB-O 3.27Å; A5-Y63 WeakPolarHBondContact CB-O 3.44Å
6R97.5Very high93.8Very high100 Ų10079.9 Ų79.938%0.37737%0.369SS..Hα-helixtrans-64.4-39.6178.1-66.5176.9-165.2-157.1-0.9112.9T3 R8 L9 M10 I33 M34 E61T3-R6 PolarHBondContact O-N 3.44Å; T3-R6 VanDerWaalsContact OG1-CG 3.27Å; T3-R6 WeakPolarHBondContact OG1-CG 3.48Å; T3-R6 PolarHBondContact OG1-N 3.32Å; R6-R8 VanDerWaalsContact C-N 3.3Å; R6-R8 PolarHBondContact O-N 3.27Å; R6-L9 PolarHBondContact O-N 3.07Å; R6-M10 WeakPolarHBondContact O-CG 3.39Å; R6-M10 PolarHBondContact O-N 3.46Å; R6-I33 HydrophobicContact CB-CG2 4.25Å; R6-I33 HydrophobicContact CG-CG2 3.74Å; R6-M34 HydrophobicContact CG-SD 3.71Å; R6-E61 IonicContact CZ-OE1 3.52Å; R6-E61 IonicContact NE-OE1 3.11Å; R6-E61 PolarHBondContact NE-OE1 3.38Å; R6-E61 VanDerWaalsContact NE-OE1 3.11Å; R6-E61 IonicContact NH2-OE1 3.06Å; R6-E61 PolarHBondContact NH2-OE1 3.29Å
7R97.6Very high93.9Very high160 Ų16082.8 Ų82.860%0.60438%0.382SS*.Hα-helixtrans-63.2-38.9174.1-73.9-172.9-71.1178-1.3111.7S2 T3 P4 A5 R11S2-R7 WeakPolarHBondContact OG-CG 3.42Å; T3-R7 PolarHBondContact O-N 3.03Å; P4-R7 PolarHBondContact O-N 2.97Å; A5-R7 PolarHBondContact O-N 3.24Å; R7-R11 PolarHBondContact O-N 2.69Å
8R98.1Very high94Very high27 Ų2785.8 Ų85.810%0.10240%0.397CS..Hα-helixtrans-61.7-49173.8171.164.6-169.5-97.3-6.5110.7P4 A5 R6 M10 R11 D12 Y63 P64 P98 Y100P4-R8 WeakPolarHBondContact O-CB 3.4Å; P4-R8 PolarHBondContact O-N 3.37Å; A5-R8 WeakPolarHBondContact O-CB 3.28Å; A5-R8 PolarHBondContact O-N 3.06Å; A5-R8 VanDerWaalsContact O-N 3.17Å; R6-R8 VanDerWaalsContact C-N 3.3Å; R6-R8 PolarHBondContact O-N 3.27Å; R8-M10 VanDerWaalsContact C-N 3.32Å; R8-M10 PolarHBondContact O-N 2.86Å; R8-R11 VanDerWaalsContact NE-NH2 3.18Å; R8-R11 WeakPolarHBondContact O-CA 3.45Å; R8-R11 WeakPolarHBondContact O-CB 3.26Å; R8-R11 PolarHBondContact O-N 3.35Å; R8-D12 WeakPolarHBondContact CD-OD1 3.49Å; R8-D12 IonicContact CZ-OD1 3.78Å; R8-D12 IonicContact CZ-OD2 3.67Å; R8-D12 IonicContact NE-OD1 3.36Å; R8-D12 PolarHBondContact NE-OD1 2.97Å; R8-D12 IonicContact NE-OD2 2.76Å; R8-D12 PolarHBondContact NE-OD2 2.86Å; R8-D12 IonicContact NH2-OD1 3.7Å; R8-D12 IonicContact NH2-OD2 3.68Å; R8-D12 PolarHBondContact NH2-OD2 3.31Å; R8-D12 PolarHBondContact O-N 2.98Å; R8-Y63 HydrophobicContact CB-CD1 4.46Å; R8-Y63 HydrophobicContact CB-CE1 4.45Å; R8-Y63 HydrophobicContact CG-CD1 3.83Å; R8-Y63 HydrophobicContact CG-CE1 3.44Å; R8-Y63 VanDerWaalsContact CG-CE1 3.44Å; R8-P64 HydrophobicContact CG-CB 4.42Å; R8-P64 HydrophobicContact CG-CG 4.31Å; R8-P98 PolarHBondContact NH1-O 2.8Å; R8-Y100 PolarHBondContact NH2-O 3.34Å
9L98.3Very high93.9Very high0 Ų087.3 Ų87.30%041%0.408CS..Hα-helixtrans-62.7-36.2-179.5-70167.5000113.2A5 R6 R11 D12 F13 I33 M34 W36 F59 Y63A5-L9 WeakPolarHBondContact O-CG 3.46Å; A5-L9 PolarHBondContact O-N 3.07Å; R6-L9 PolarHBondContact O-N 3.07Å; L9-R11 VanDerWaalsContact C-N 3.26Å; L9-R11 PolarHBondContact O-N 3.02Å; L9-D12 PolarHBondContact O-N 3Å; L9-F13 WeakPolarHBondContact O-CB 3.43Å; L9-F13 PolarHBondContact O-N 2.76Å; L9-I33 HydrophobicContact CB-CD1 3.87Å; L9-I33 HydrophobicContact CB-CG1 3.95Å; L9-M34 HydrophobicContact CD1-SD 3.54Å; L9-M34 VanDerWaalsContact CD1-SD 3.54Å; L9-W36 HydrophobicContact CB-CZ2 4.44Å; L9-W36 HydrophobicContact CD2-CZ2 4.33Å; L9-F59 HydrophobicContact CD1-CB 4.03Å; L9-F59 HydrophobicContact CD1-CD1 4.39Å; L9-F59 HydrophobicContact CD1-CD2 4.26Å; L9-F59 HydrophobicContact CD1-CG 3.97Å; L9-F59 HydrophobicContact CD2-CD1 3.54Å; L9-F59 HydrophobicContact CD2-CD2 3.98Å; L9-F59 HydrophobicContact CD2-CE1 3.46Å; L9-F59 VanDerWaalsContact CD2-CE1 3.46Å; L9-F59 HydrophobicContact CD2-CE2 3.92Å; L9-F59 HydrophobicContact CD2-CG 3.81Å; L9-F59 HydrophobicContact CD2-CZ 3.66Å; L9-Y63 HydrophobicContact CD2-CD1 3.76Å; L9-Y63 HydrophobicContact CD2-CE1 3.6Å; L9-Y63 HydrophobicContact CG-CD1 3.9Å; L9-Y63 HydrophobicContact CG-CE1 4.1Å
10M97.1Very high93.9Very high107 Ų10786.6 Ų86.653%0.52741%0.412SS..Hα-helixtrans-60.6-37172.5-73.2-58.5-58.900112.4R6 R8 K14 I33R6-M10 WeakPolarHBondContact O-CG 3.39Å; R6-M10 PolarHBondContact O-N 3.46Å; R8-M10 VanDerWaalsContact C-N 3.32Å; R8-M10 PolarHBondContact O-N 2.86Å; M10-K14 WeakPolarHBondContact O-CB 3.42Å; M10-K14 PolarHBondContact O-N 3.07Å; M10-I33 HydrophobicContact CB-CD1 4.49Å; M10-I33 HydrophobicContact CG-CD1 3.54Å; M10-I33 HydrophobicContact SD-CD1 3.3Å; M10-I33 WeakPolarHBondContact SD-CD1 3.45Å
11R97.5Very high93.9Very high151 Ų15184 Ų8457%0.5740%0.402SS*.Hα-helixtrans-70.5-42.9176.1-177.5-179.166.2-15512.1111.4R7 R8 L9 F13 K14 R15R7-R11 PolarHBondContact O-N 2.69Å; R8-R11 VanDerWaalsContact NE-NH2 3.18Å; R8-R11 WeakPolarHBondContact O-CA 3.45Å; R8-R11 WeakPolarHBondContact O-CB 3.26Å; R8-R11 PolarHBondContact O-N 3.35Å; L9-R11 VanDerWaalsContact C-N 3.26Å; L9-R11 PolarHBondContact O-N 3.02Å; R11-F13 VanDerWaalsContact C-N 3.28Å; R11-F13 PolarHBondContact O-N 2.65Å; R11-K14 PolarHBondContact O-N 2.97Å; R11-R15 PolarHBondContact O-N 3.28Å
12D98.1Very high95.7Very high3 Ų379.4 Ų79.42%0.01639%0.386CS..Hα-helixtrans-64.1-38178.3-68.920.5000110.7R8 L9 R15 L16 Y63 D101 V102R8-D12 WeakPolarHBondContact CD-OD1 3.49Å; R8-D12 IonicContact CZ-OD1 3.78Å; R8-D12 IonicContact CZ-OD2 3.67Å; R8-D12 IonicContact NE-OD1 3.36Å; R8-D12 PolarHBondContact NE-OD1 2.97Å; R8-D12 IonicContact NE-OD2 2.76Å; R8-D12 PolarHBondContact NE-OD2 2.86Å; R8-D12 IonicContact NH2-OD1 3.7Å; R8-D12 IonicContact NH2-OD2 3.68Å; R8-D12 PolarHBondContact NH2-OD2 3.31Å; R8-D12 PolarHBondContact O-N 2.98Å; L9-D12 PolarHBondContact O-N 3Å; D12-R15 PolarHBondContact O-N 3.4Å; D12-L16 WeakPolarHBondContact O-CB 3.38Å; D12-L16 PolarHBondContact O-N 3.26Å; D12-Y63 PolarHBondContact OD2-OH 3.5Å; D12-D101 HydrophobicContact CB-CB 4.39Å; D12-D101 WeakPolarHBondContact OD2-CA 3.29Å; D12-D101 VanDerWaalsContact OD2-CB 3.25Å; D12-D101 WeakPolarHBondContact OD2-CB 3.39Å; D12-V102 HydrophobicContact CB-CB 4.46Å; D12-V102 HydrophobicContact CB-CG2 3.96Å
13F97.7Very high96.4Very high39 Ų3977 Ų7717%0.17137%0.373CS..Hα-helixtrans-64.9-46.7174.6-175.4-129.2000111.8L9 R11 R15 L16 Q17 A27 P28 W36L9-F13 WeakPolarHBondContact O-CB 3.43Å; L9-F13 PolarHBondContact O-N 2.76Å; R11-F13 VanDerWaalsContact C-N 3.28Å; R11-F13 PolarHBondContact O-N 2.65Å; F13-R15 VanDerWaalsContact C-N 3.3Å; F13-R15 PolarHBondContact O-N 3.37Å; F13-L16 PolarHBondContact O-N 2.63Å; F13-Q17 HydrophobicContact CD2-CG 4.35Å; F13-Q17 HydrophobicContact CE2-CG 4Å; F13-Q17 HydrophobicContact CZ-CG 4.11Å; F13-Q17 WeakPolarHBondContact O-CG 3.44Å; F13-Q17 PolarHBondContact O-N 3.05Å; F13-A27 HydrophobicContact CE2-CB 3.85Å; F13-A27 HydrophobicContact CZ-CB 4.39Å; F13-P28 HydrophobicContact CD1-CG 4.37Å; F13-P28 VanDerWaalsContact CD2-CD 3.41Å; F13-P28 HydrophobicContact CD2-CG 4.34Å; F13-P28 HydrophobicContact CE1-CG 4.38Å; F13-P28 HydrophobicContact CE2-CG 4.38Å; F13-P28 HydrophobicContact CG-CG 4.34Å; F13-P28 HydrophobicContact CZ-CG 4.37Å; F13-W36 VanDerWaalsContact CA-CH2 3.45Å; F13-W36 HydrophobicContact CB-CH2 3.47Å; F13-W36 VanDerWaalsContact CB-CH2 3.47Å; F13-W36 HydrophobicContact CB-CZ2 3.83Å; F13-W36 HydrophobicContact CB-CZ3 4.39Å; F13-W36 AromaticContact CD2-CH2 3.87Å; F13-W36 HydrophobicContact CD2-CH2 3.87Å; F13-W36 AromaticContact CD2-CZ3 3.98Å; F13-W36 HydrophobicContact CD2-CZ3 3.98Å; F13-W36 HydrophobicContact CG-CH2 4.09Å
14K97.1Very high96.4Very high114 Ų11475.6 Ų75.650%0.49637%0.365SS..Hα-helixtrans-57.1-45.5175.2-178.3177.1174.3-179.30111.4M10 R11 L16 Q17 E18M10-K14 WeakPolarHBondContact O-CB 3.42Å; M10-K14 PolarHBondContact O-N 3.07Å; R11-K14 PolarHBondContact O-N 2.97Å; K14-L16 PolarHBondContact O-N 2.89Å; K14-Q17 PolarHBondContact O-N 2.92Å; K14-E18 WeakPolarHBondContact CE-OE1 3.4Å; K14-E18 WeakPolarHBondContact CE-OE2 3.35Å; K14-E18 HydrophobicContact CG-CG 4.34Å; K14-E18 IonicContact NZ-OE1 3.95Å; K14-E18 PolarHBondContact NZ-OE1 3.31Å; K14-E18 WeakPolarHBondContact O-CB 3.5Å; K14-E18 WeakPolarHBondContact O-CG 3.4Å; K14-E18 PolarHBondContact O-N 3.13Å
15R95.9Very high96.4Very high133 Ų13373.5 Ų73.550%0.50235%0.352SS..Hα-helixtrans-61.1-45.4177.8-173.9-178.8-177.9173.11.5111.6R11 D12 F13 Q17 E18 D19 D101R11-R15 PolarHBondContact O-N 3.28Å; D12-R15 PolarHBondContact O-N 3.4Å; F13-R15 VanDerWaalsContact C-N 3.3Å; F13-R15 PolarHBondContact O-N 3.37Å; R15-Q17 PolarHBondContact O-N 2.83Å; R15-E18 PolarHBondContact O-N 3.36Å; R15-D19 PolarHBondContact O-N 3.06Å; R15-D101 WeakPolarHBondContact CD-OD2 3.31Å; R15-D101 IonicContact CZ-OD2 3.93Å; R15-D101 VanDerWaalsContact CZ-OD2 3.28Å; R15-D101 IonicContact NE-OD2 3.45Å; R15-D101 PolarHBondContact NE-OD2 3.1Å; R15-D101 IonicContact NH1-OD2 3.28Å; R15-D101 PolarHBondContact NH1-OD2 2.95Å
16L96.1Very high96.3Very high8 Ų874.3 Ų74.34%0.04236%0.36CS..Hα-helixtrans-63.7-30.7178.6-172.463000112.4D12 F13 K14 P20 G26 W36 V102 S103 L106D12-L16 WeakPolarHBondContact O-CB 3.38Å; D12-L16 PolarHBondContact O-N 3.26Å; F13-L16 PolarHBondContact O-N 2.63Å; K14-L16 PolarHBondContact O-N 2.89Å; L16-P20 WeakPolarHBondContact O-CA 3.41Å; L16-P20 WeakPolarHBondContact O-CB 3.34Å; L16-G26 VanDerWaalsContact CD2-O 3.28Å; L16-G26 WeakPolarHBondContact CD2-O 3.5Å; L16-W36 HydrophobicContact CD2-CZ3 3.91Å; L16-V102 HydrophobicContact CD2-CG1 4.19Å; L16-S103 WeakPolarHBondContact CD1-OG 3.47Å; L16-L106 HydrophobicContact CD2-CD1 4.43Å
17Q94.8Very high96.3Very high128 Ų12871.5 Ų71.560%0.59836%0.358SS*.Hα-helixtrans-77.1-38.3174.5-71.6-172.3-37.600113.5F13 K14 R15F13-Q17 HydrophobicContact CD2-CG 4.35Å; F13-Q17 HydrophobicContact CE2-CG 4Å; F13-Q17 HydrophobicContact CZ-CG 4.11Å; F13-Q17 WeakPolarHBondContact O-CG 3.44Å; F13-Q17 PolarHBondContact O-N 3.05Å; K14-Q17 PolarHBondContact O-N 2.92Å; R15-Q17 PolarHBondContact O-N 2.83Å
18E95.4Very high96.3Very high137 Ų13765.5 Ų65.564%0.6434%0.34SS*.Hα-helixtrans-77.2-36.2-177.6-73.3179157.200112.5K14 R15K14-E18 WeakPolarHBondContact CE-OE1 3.4Å; K14-E18 WeakPolarHBondContact CE-OE2 3.35Å; K14-E18 HydrophobicContact CG-CG 4.34Å; K14-E18 IonicContact NZ-OE1 3.95Å; K14-E18 PolarHBondContact NZ-OE1 3.31Å; K14-E18 WeakPolarHBondContact O-CB 3.5Å; K14-E18 WeakPolarHBondContact O-CG 3.4Å; K14-E18 PolarHBondContact O-N 3.13Å; R15-E18 PolarHBondContact O-N 3.36Å
19D93.2Very high96.2Very high114 Ų11465.8 Ų65.861%0.6135%0.346SS*.SBendtrans-141.271.9-177.1-172.530.3000110.2R15R15-D19 PolarHBondContact O-N 3.06Å
20P92.6Very high95.8Very high74 Ų7474.9 Ų74.948%0.48139%0.389SS..PPolyproline II helixtrans-69.2128.218026.3-32.1000110.5L16L16-P20 WeakPolarHBondContact O-CA 3.41Å; L16-P20 WeakPolarHBondContact O-CB 3.34Å
21P95.3Very high95.6Very high33 Ų3377.3 Ų77.321%0.21440%0.404CS..PPolyproline II helixtrans-62.5148.4171.6-13.926.2000110.9G23 V24 T107P21-G23 PolarHBondContact O-N 3.2Å; P21-V24 HydrophobicContact CB-CG2 3.71Å; P21-V24 HydrophobicContact CG-CG2 3.81Å; P21-V24 PolarHBondContact O-N 3.07Å; P21-T107 WeakPolarHBondContact CB-OG1 3.24Å
22V95.4Very high95.4Very high135 Ų13572.7 Ų72.782%0.81839%0.391SS*.THydrogen-bonded Turntrans-62.3134-179.41780000110.4V24 Q110V22-V24 VanDerWaalsContact C-N 3.26Å; V22-V24 PolarHBondContact O-N 3.13Å; V22-Q110 PolarHBondContact O-NE2 3.14Å; V22-Q110 PolarHBondContact O-OE1 3.04Å
23G95.8Very high95.4Very high22 Ų2274.1 Ų74.123%0.22740%0.398CS..THydrogen-bonded Turntrans73.911.4174.200000114.9P21 F41 Q110P21-G23 PolarHBondContact O-N 3.2Å; G23-F41 WeakPolarHBondContact O-CD2 3.43Å; G23-F41 PolarHBondContact O-N 3.43Å; G23-Q110 PolarHBondContact O-NE2 3.24Å
24V96.8Very high95.4Very high8 Ų873 Ų735%0.04839%0.393CS..EExtended strand (participates in β ladder)trans-131.9150.5171.1-49.40000111.3P21 V22 V39 I40 L106 Q110P21-V24 HydrophobicContact CB-CG2 3.71Å; P21-V24 HydrophobicContact CG-CG2 3.81Å; P21-V24 PolarHBondContact O-N 3.07Å; V22-V24 VanDerWaalsContact C-N 3.26Å; V22-V24 PolarHBondContact O-N 3.13Å; V24-V39 CarbonylContact C-O 3.57Å; V24-V39 WeakPolarHBondContact CA-O 3.41Å; V24-I40 HydrophobicContact CG1-CG1 4.05Å; V24-L106 HydrophobicContact CB-CB 3.97Å; V24-L106 HydrophobicContact CB-CD1 4.38Å; V24-L106 HydrophobicContact CG1-CB 4.15Å; V24-L106 HydrophobicContact CG2-CB 3.94Å; V24-L106 HydrophobicContact CG2-CD1 4.32Å; V24-Q110 HydrophobicContact CG1-CB 4.08Å; V24-Q110 HydrophobicContact CG1-CG 4.47Å
25S95.8Very high95.4Very high51 Ų5171.1 Ų71.136%0.35739%0.387SS..EExtended strand (participates in β ladder)trans-146.5155.9172.165.70000110.4A38 V39S25-A38 CarbonylContact O-C 3.6Å; S25-A38 WeakPolarHBondContact O-CA 3.42Å; S25-A38 VanDerWaalsContact O-CB 3.27Å; S25-A38 WeakPolarHBondContact O-CB 3.37Å; S25-V39 PolarHBondContact N-O 2.87Å; S25-V39 PolarHBondContact O-N 3.37Å
26G96.9Very high95.6Very high16 Ų1664.8 Ų64.817%0.16536%0.363CS..EExtended strand (participates in β ladder)trans-168.1153.1176.400000113.1L16 N37L16-G26 VanDerWaalsContact CD2-O 3.28Å; L16-G26 WeakPolarHBondContact CD2-O 3.5Å; G26-N37 CarbonylContact C-O 3.57Å; G26-N37 VanDerWaalsContact CA-O 3.26Å; G26-N37 WeakPolarHBondContact CA-O 3.29Å
27A97.6Very high95.7Very high41 Ų4168.4 Ų68.434%0.33938%0.382SS..EExtended strand (participates in β ladder)trans-152.8150.517800000111.2F13 W36 N37F13-A27 HydrophobicContact CE2-CB 3.85Å; F13-A27 HydrophobicContact CZ-CB 4.39Å; A27-W36 CarbonylContact O-C 2.89Å; A27-W36 VanDerWaalsContact O-CA 3.24Å; A27-W36 WeakPolarHBondContact O-CA 3.16Å; A27-W36 WeakPolarHBondContact O-CB 3.33Å; A27-N37 PolarHBondContact N-O 3.23Å; A27-N37 PolarHBondContact O-N 3.41Å
28P97.8Very high95.8Very high34 Ų3462.4 Ų62.422%0.22135%0.354CS..EExtended strand (participates in β ladder)trans-62.8148.2169.127.7-33.3000110.9F13 I33 Q35 W36F13-P28 HydrophobicContact CD1-CG 4.37Å; F13-P28 VanDerWaalsContact CD2-CD 3.41Å; F13-P28 HydrophobicContact CD2-CG 4.34Å; F13-P28 HydrophobicContact CE1-CG 4.38Å; F13-P28 HydrophobicContact CE2-CG 4.38Å; F13-P28 HydrophobicContact CG-CG 4.34Å; F13-P28 HydrophobicContact CZ-CG 4.37Å; P28-I33 HydrophobicContact CB-CG1 4.25Å; P28-Q35 CarbonylContact C-O 3.58Å; P28-Q35 WeakPolarHBondContact CA-O 3.49Å; P28-W36 HydrophobicContact CB-CD2 4.34Å; P28-W36 HydrophobicContact CB-CG 4.33Å
29S95.4Very high95.9Very high33 Ų3357.4 Ų57.423%0.23133%0.333CS..EExtended strand (participates in β ladder)trans-61.1144.6167.3-66.80000110.2N31 N32 Q35 N37S29-N31 PolarHBondContact O-N 3.42Å; S29-N32 CarbonylContact O-C 3.52Å; S29-N32 PolarHBondContact O-N 3.23Å; S29-Q35 PolarHBondContact N-O 3.32Å; S29-Q35 PolarHBondContact OG-O 2.81Å; S29-N37 PolarHBondContact OG-ND2 2.92Å
30E90.4Very high96.2Very high191 Ų19152 Ų5289%0.89330%0.304SS*.THydrogen-bonded Turntrans-47.9-40.3-172.2-65.3-177.3168.300114
31N91.1Very high96.4Very high159 Ų15953 Ų5385%0.8530%0.301SS*.THydrogen-bonded Turntrans-108-0.4-173.5-61.8-50.2000113.8S29S29-N31 PolarHBondContact O-N 3.42Å
32N94.9Very high96.5Very high54 Ų5451.9 Ų51.929%0.28930%0.295SS..EExtended strand (participates in β ladder)trans-149.999.2-173.9-172.55.7000112.4S29 M34 Q35S29-N32 CarbonylContact O-C 3.52Å; S29-N32 PolarHBondContact O-N 3.23Å; N32-M34 PolarHBondContact O-N 3.26Å; N32-M34 VanDerWaalsContact O-N 3.1Å; N32-M34 VanDerWaalsContact OD1-CB 3.32Å; N32-M34 WeakPolarHBondContact OD1-CB 3.28Å; N32-M34 PolarHBondContact OD1-N 3.24Å; N32-Q35 HydrophobicContact CB-CB 4.44Å; N32-Q35 VanDerWaalsContact ND2-CD 3.27Å; N32-Q35 WeakPolarHBondContact ND2-CG 3.07Å; N32-Q35 PolarHBondContact ND2-OE1 3.2Å; N32-Q35 PolarHBondContact O-N 2.91Å
33I96.7Very high96.6Very high32 Ų3246.4 Ų46.416%0.16426%0.263CS..EExtended strand (participates in β ladder)trans-61.8-17.9175.3-162.2176.6000113.6R6 L9 M10 P28 Q35 W36R6-I33 HydrophobicContact CB-CG2 4.25Å; R6-I33 HydrophobicContact CG-CG2 3.74Å; L9-I33 HydrophobicContact CB-CD1 3.87Å; L9-I33 HydrophobicContact CB-CG1 3.95Å; M10-I33 HydrophobicContact CB-CD1 4.49Å; M10-I33 HydrophobicContact CG-CD1 3.54Å; M10-I33 HydrophobicContact SD-CD1 3.3Å; M10-I33 WeakPolarHBondContact SD-CD1 3.45Å; P28-I33 HydrophobicContact CB-CG1 4.25Å; I33-Q35 VanDerWaalsContact C-N 3.25Å; I33-Q35 PolarHBondContact O-N 3.48Å; I33-W36 PolarHBondContact O-NE1 2.9Å
34M97.9Very high96.7Very high15 Ų1553.5 Ų53.57%0.07429%0.29CS..EExtended strand (participates in β ladder)trans-84.6-0.6178.5-49.1-63.3-94.500112.4A5 R6 L9 N32 F59 S60 E61A5-M34 HydrophobicContact CB-CE 4.14Å; R6-M34 HydrophobicContact CG-SD 3.71Å; L9-M34 HydrophobicContact CD1-SD 3.54Å; L9-M34 VanDerWaalsContact CD1-SD 3.54Å; N32-M34 PolarHBondContact O-N 3.26Å; N32-M34 VanDerWaalsContact O-N 3.1Å; N32-M34 VanDerWaalsContact OD1-CB 3.32Å; N32-M34 WeakPolarHBondContact OD1-CB 3.28Å; N32-M34 PolarHBondContact OD1-N 3.24Å; M34-F59 HydrophobicContact CB-CB 4.38Å; M34-F59 WeakPolarHBondContact O-CD2 3.5Å; M34-F59 PolarHBondContact O-N 2.87Å; M34-S60 VanDerWaalsContact CE-C 3.46Å; M34-S60 WeakPolarHBondContact CE-O 3.5Å; M34-E61 HydrophobicContact CE-CB 4.47Å; M34-E61 VanDerWaalsContact CE-CD 3.4Å; M34-E61 HydrophobicContact CE-CG 3.91Å
35Q98.4Very high96.6Very high76 Ų7656.6 Ų56.636%0.35532%0.324SS..EExtended strand (participates in β ladder)trans-128127.5174.9-76.4176.2-17.900108.8P28 S29 N32 I33 I57 E58P28-Q35 CarbonylContact C-O 3.58Å; P28-Q35 WeakPolarHBondContact CA-O 3.49Å; S29-Q35 PolarHBondContact N-O 3.32Å; S29-Q35 PolarHBondContact OG-O 2.81Å; N32-Q35 HydrophobicContact CB-CB 4.44Å; N32-Q35 VanDerWaalsContact ND2-CD 3.27Å; N32-Q35 WeakPolarHBondContact ND2-CG 3.07Å; N32-Q35 PolarHBondContact ND2-OE1 3.2Å; N32-Q35 PolarHBondContact O-N 2.91Å; I33-Q35 VanDerWaalsContact C-N 3.25Å; I33-Q35 PolarHBondContact O-N 3.48Å; Q35-I57 CarbonylContact C-O 3.47Å; Q35-I57 WeakPolarHBondContact CA-O 3.5Å; Q35-E58 HydrophobicContact CG-CG 4.44Å
36W98.5Very high96.7Very high0 Ų054.8 Ų54.80%031%0.31CS..EExtended strand (participates in β ladder)trans-124.4145.4-179.7-70.244.6000110.2L9 F13 L16 A27 P28 I33 V56 I57 F59 V102L9-W36 HydrophobicContact CB-CZ2 4.44Å; L9-W36 HydrophobicContact CD2-CZ2 4.33Å; F13-W36 VanDerWaalsContact CA-CH2 3.45Å; F13-W36 HydrophobicContact CB-CH2 3.47Å; F13-W36 VanDerWaalsContact CB-CH2 3.47Å; F13-W36 HydrophobicContact CB-CZ2 3.83Å; F13-W36 HydrophobicContact CB-CZ3 4.39Å; F13-W36 AromaticContact CD2-CH2 3.87Å; F13-W36 HydrophobicContact CD2-CH2 3.87Å; F13-W36 AromaticContact CD2-CZ3 3.98Å; F13-W36 HydrophobicContact CD2-CZ3 3.98Å; F13-W36 HydrophobicContact CG-CH2 4.09Å; L16-W36 HydrophobicContact CD2-CZ3 3.91Å; A27-W36 CarbonylContact O-C 2.89Å; A27-W36 VanDerWaalsContact O-CA 3.24Å; A27-W36 WeakPolarHBondContact O-CA 3.16Å; A27-W36 WeakPolarHBondContact O-CB 3.33Å; P28-W36 HydrophobicContact CB-CD2 4.34Å; P28-W36 HydrophobicContact CB-CG 4.33Å; I33-W36 PolarHBondContact O-NE1 2.9Å; W36-V56 WeakPolarHBondContact O-CA 3.35Å; W36-I57 HydrophobicContact CB-CB 4.18Å; W36-I57 PolarHBondContact N-O 2.9Å; W36-I57 PolarHBondContact O-N 3.29Å; W36-F59 HydrophobicContact CB-CE2 4.26Å; W36-F59 AromaticContact CD1-CD2 3.86Å; W36-F59 AromaticContact CD1-CE2 3.38Å; W36-F59 HydrophobicContact CD2-CE2 4.25Å; W36-F59 AromaticContact CG-CE2 3.74Å; W36-F59 HydrophobicContact CG-CE2 3.74Å; W36-F59 AromaticContact NE1-CE2 3.71Å; W36-V102 HydrophobicContact CE3-CG1 3.94Å; W36-V102 HydrophobicContact CE3-CG2 4.42Å; W36-V102 HydrophobicContact CH2-CB 4.37Å; W36-V102 HydrophobicContact CH2-CG1 4.44Å; W36-V102 HydrophobicContact CH2-CG2 3.9Å; W36-V102 HydrophobicContact CZ2-CG2 4.31Å; W36-V102 HydrophobicContact CZ3-CB 4.13Å; W36-V102 HydrophobicContact CZ3-CG1 3.73Å; W36-V102 HydrophobicContact CZ3-CG2 4.01Å
37N98.1Very high96.7Very high83 Ų8355.8 Ų55.844%0.44431%0.314SS..EExtended strand (participates in β ladder)trans-101.3137.8165.2-61.4-68.1000107.8G26 A27 S29G26-N37 CarbonylContact C-O 3.57Å; G26-N37 VanDerWaalsContact CA-O 3.26Å; G26-N37 WeakPolarHBondContact CA-O 3.29Å; A27-N37 PolarHBondContact N-O 3.23Å; A27-N37 PolarHBondContact O-N 3.41Å; S29-N37 PolarHBondContact OG-ND2 2.92Å
38A98Very high96.7Very high2 Ų253.9 Ų53.92%0.01730%0.298CS..EExtended strand (participates in β ladder)trans-135.6157.9177.600000110.8S25 K54 L55 I57 L106S25-A38 CarbonylContact O-C 3.6Å; S25-A38 WeakPolarHBondContact O-CA 3.42Å; S25-A38 VanDerWaalsContact O-CB 3.27Å; S25-A38 WeakPolarHBondContact O-CB 3.37Å; A38-K54 CarbonylContact O-C 3.58Å; A38-K54 WeakPolarHBondContact O-CA 3.42Å; A38-L55 HydrophobicContact CB-CB 4.39Å; A38-L55 PolarHBondContact N-O 3.32Å; A38-L55 PolarHBondContact O-N 3.29Å; A38-I57 HydrophobicContact CB-CD1 4.35Å; A38-L106 HydrophobicContact CB-CD1 4.15Å; A38-L106 HydrophobicContact CB-CD2 3.65Å
39V97.8Very high96.7Very high32 Ų3256.1 Ų56.119%0.19431%0.305CS..EExtended strand (participates in β ladder)trans-130.2132174.1178.60000108V24 S25 F41 T52 F53 K54V24-V39 CarbonylContact C-O 3.57Å; V24-V39 WeakPolarHBondContact CA-O 3.41Å; S25-V39 PolarHBondContact N-O 2.87Å; S25-V39 PolarHBondContact O-N 3.37Å; V39-F41 HydrophobicContact CG1-CE1 4.35Å; V39-F41 HydrophobicContact CG1-CZ 4.28Å; V39-T52 HydrophobicContact CG1-CG2 3.5Å; V39-T52 VanDerWaalsContact CG1-CG2 3.5Å; V39-F53 CarbonylContact C-O 3.58Å; V39-F53 WeakPolarHBondContact CA-O 3.28Å; V39-K54 HydrophobicContact CG2-CG 4.34Å
40I98.1Very high96.8Very high0 Ų060.1 Ų60.10%032%0.324CS..EExtended strand (participates in β ladder)trans-112.6123.8169.5-67.4174.4000107.4V24 F53 L55 L106 I109 Q110 L113V24-I40 HydrophobicContact CG1-CG1 4.05Å; I40-F53 PolarHBondContact N-O 3.14Å; I40-F53 WeakPolarHBondContact O-CD2 3.27Å; I40-F53 PolarHBondContact O-N 2.87Å; I40-L55 HydrophobicContact CB-CD1 4.07Å; I40-L55 HydrophobicContact CD1-CD1 3.74Å; I40-L55 HydrophobicContact CD1-CD2 4.07Å; I40-L55 HydrophobicContact CG1-CD1 3.67Å; I40-L106 HydrophobicContact CD1-CD2 4.27Å; I40-L106 HydrophobicContact CG1-CD2 4.38Å; I40-I109 HydrophobicContact CD1-CB 3.66Å; I40-I109 HydrophobicContact CD1-CG2 3.4Å; I40-I109 VanDerWaalsContact CD1-CG2 3.4Å; I40-Q110 HydrophobicContact CG2-CB 3.87Å; I40-Q110 HydrophobicContact CG2-CG 3.98Å; I40-L113 HydrophobicContact CG2-CD1 3.93Å
41F97.9Very high97.1Very high95 Ų9551 Ų5142%0.41728%0.282SS..EExtended strand (participates in β ladder)trans-80.2134.6168.8-61.6-74.6000108.9G23 V39 G51 T52 Q110G23-F41 WeakPolarHBondContact O-CD2 3.43Å; G23-F41 PolarHBondContact O-N 3.43Å; V39-F41 HydrophobicContact CG1-CE1 4.35Å; V39-F41 HydrophobicContact CG1-CZ 4.28Å; F41-G51 WeakPolarHBondContact CA-O 3.5Å; F41-T52 HydrophobicContact CD1-CG2 4.45Å; F41-T52 HydrophobicContact CE1-CG2 4.06Å; F41-Q110 PolarHBondContact O-NE2 3.05Å
42G97.8Very high97.5Very high10 Ų1045.5 Ų45.510%0.10325%0.254CS..PPolyproline II helixtrans-56.1130.4176.400000111.7F48 G51G42-F48 VanDerWaalsContact CA-O 3.29Å; G42-F48 WeakPolarHBondContact CA-O 3.34Å; G42-G51 PolarHBondContact N-O 3.32Å
43P97.8Very high97.6Very high20 Ų2043 Ų4313%0.1324%0.24CC..PPolyproline II helixtrans-64.8142.8-178.5-17.829.6000112.2T46 Q110 L113 D114P43-T46 HydrophobicContact CB-CG2 3.8Å; P43-T46 HydrophobicContact CG-CG2 4.33Å; P43-T46 WeakPolarHBondContact O-CB 3.42Å; P43-T46 PolarHBondContact O-N 2.88Å; P43-T46 PolarHBondContact O-OG1 3.36Å; P43-Q110 HydrophobicContact CG-CG 3.85Å; P43-L113 HydrophobicContact CG-CB 4.23Å; P43-D114 HydrophobicContact CB-CB 4.41Å; P43-D114 HydrophobicContact CG-CB 4.25Å
44E96.2Very high97.7Very high172 Ų17244.3 Ų44.380%0.80425%0.245SC*.THydrogen-bonded Turntrans-59.6143.2175-66.8-178-176.600111.4T46E44-T46 PolarHBondContact O-N 2.94Å
45G95.6Very high97.7Very high73 Ų7343.6 Ų43.675%0.75324%0.242SC*.THydrogen-bonded Turntrans76.93.9-179.500000114.3E49G45-E49 PolarHBondContact N-OE2 3.3Å
46T97.1Very high97.7Very high12 Ų1240.7 Ų40.77%0.07423%0.229CC..SBendtrans-107.6160.5176.177.70000110.8P43 E44 F48 E49 D114P43-T46 HydrophobicContact CB-CG2 3.8Å; P43-T46 HydrophobicContact CG-CG2 4.33Å; P43-T46 WeakPolarHBondContact O-CB 3.42Å; P43-T46 PolarHBondContact O-N 2.88Å; P43-T46 PolarHBondContact O-OG1 3.36Å; E44-T46 PolarHBondContact O-N 2.94Å; T46-F48 PolarHBondContact O-N 2.93Å; T46-F48 PolarHBondContact OG1-N 3.35Å; T46-E49 VanDerWaalsContact O-CB 3.28Å; T46-E49 WeakPolarHBondContact O-CB 3.43Å; T46-E49 PolarHBondContact O-N 2.98Å; T46-D114 HydrophobicContact CG2-CB 4.02Å; T46-D114 VanDerWaalsContact CG2-OD1 3.24Å; T46-D114 WeakPolarHBondContact CG2-OD1 3.35Å
47P97.6Very high97.7Very high38 Ų3840.7 Ų40.725%0.24723%0.229CC..THydrogen-bonded Turntrans-61.7-14.2173.2-23.536.7000113.8Y137 E138 V141P47-Y137 HydrophobicContact CG-CE1 4.2Å; P47-E138 HydrophobicContact CB-CG 4.08Å; P47-E138 HydrophobicContact CG-CG 3.74Å; P47-V141 HydrophobicContact CB-CB 3.98Å; P47-V141 HydrophobicContact CB-CG1 3.87Å; P47-V141 HydrophobicContact CB-CG2 4.45Å; P47-V141 VanDerWaalsContact O-CG1 3.26Å; P47-V141 WeakPolarHBondContact O-CG1 3.3Å
48F98.3Very high97.7Very high0 Ų040.7 Ų40.70%023%0.226CC..THydrogen-bonded Turntrans-88-8.4178.6-66.6-81.2000113.6G42 T46 G51 F53 M76 H78 L113 Y137 V141G42-F48 VanDerWaalsContact CA-O 3.29Å; G42-F48 WeakPolarHBondContact CA-O 3.34Å; T46-F48 PolarHBondContact O-N 2.93Å; T46-F48 PolarHBondContact OG1-N 3.35Å; F48-G51 WeakPolarHBondContact O-CA 3.49Å; F48-G51 PolarHBondContact O-N 3.06Å; F48-F53 HydrophobicContact CB-CE2 4.02Å; F48-F53 HydrophobicContact CB-CZ 4.28Å; F48-F53 AromaticContact CD1-CE2 3.98Å; F48-F53 HydrophobicContact CD1-CE2 3.98Å; F48-F53 AromaticContact CD1-CZ 3.73Å; F48-F53 HydrophobicContact CD1-CZ 3.73Å; F48-F53 HydrophobicContact CG-CE2 4.45Å; F48-M76 HydrophobicContact CD1-CE 4.34Å; F48-M76 HydrophobicContact CE1-CE 3.92Å; F48-H78 AromaticContact CE2-CD2 3.7Å; F48-H78 HydrophobicContact CZ-CB 4.09Å; F48-H78 AromaticContact CZ-CD2 3.59Å; F48-L113 HydrophobicContact CD1-CD2 4.43Å; F48-L113 HydrophobicContact CD2-CB 4.06Å; F48-L113 HydrophobicContact CD2-CD2 4.48Å; F48-L113 WeakPolarHBondContact CD2-O 3.44Å; F48-L113 HydrophobicContact CE1-CD2 4.33Å; F48-L113 HydrophobicContact CE2-CD2 4.39Å; F48-L113 HydrophobicContact CG-CB 4.39Å; F48-L113 HydrophobicContact CZ-CD2 4.34Å; F48-Y137 WeakPolarHBondContact CE2-OH 3.41Å; F48-V141 HydrophobicContact CD1-CG1 3.45Å; F48-V141 VanDerWaalsContact CD1-CG1 3.45Å; F48-V141 HydrophobicContact CD2-CG1 4.13Å; F48-V141 HydrophobicContact CE1-CG1 3.41Å; F48-V141 VanDerWaalsContact CE1-CG1 3.41Å; F48-V141 HydrophobicContact CE1-CG2 4.34Å; F48-V141 HydrophobicContact CE2-CG1 4.09Å; F48-V141 HydrophobicContact CG-CG1 3.8Å; F48-V141 HydrophobicContact CZ-CG1 3.72Å; F48-V141 HydrophobicContact CZ-CG2 4Å
49E98.1Very high97.8Very high81 Ų8141.4 Ų41.438%0.37923%0.229SC..THydrogen-bonded Turntrans-44.7142.9-179.4-174.3170.717100112.2G45 T46 G51 V145G45-E49 PolarHBondContact N-OE2 3.3Å; T46-E49 VanDerWaalsContact O-CB 3.28Å; T46-E49 WeakPolarHBondContact O-CB 3.43Å; T46-E49 PolarHBondContact O-N 2.98Å; E49-G51 PolarHBondContact O-N 3.46Å; E49-V145 WeakPolarHBondContact O-CG1 3.38Å
50D96.4Very high97.8Very high117 Ų11742.2 Ų42.263%0.62624%0.236SC*.THydrogen-bonded Turntrans62.2-2.4-172.9-60-39.4000116.3W149D50-W149 HydrophobicContact CB-CZ2 4.25Å; D50-W149 PolarHBondContact O-NE1 2.76Å
51G97.8Very high97.7Very high0 Ų046.5 Ų46.50%026%0.256CS..  trans-68.4144.3173.100000112.8F41 G42 F48 E49F41-G51 WeakPolarHBondContact CA-O 3.5Å; G42-G51 PolarHBondContact N-O 3.32Å; F48-G51 WeakPolarHBondContact O-CA 3.49Å; F48-G51 PolarHBondContact O-N 3.06Å; E49-G51 PolarHBondContact O-N 3.46Å
52T97.7Very high97.8Very high44 Ų4446.6 Ų46.627%0.2726%0.258SS..EExtended strand (participates in β ladder)trans-121.192177.2-58.80000109.9V39 F41 S148V39-T52 HydrophobicContact CG1-CG2 3.5Å; V39-T52 VanDerWaalsContact CG1-CG2 3.5Å; F41-T52 HydrophobicContact CD1-CG2 4.45Å; F41-T52 HydrophobicContact CE1-CG2 4.06Å; T52-S148 PolarHBondContact N-OG 3.23Å; T52-S148 WeakPolarHBondContact O-CB 3.49Å
53F98.4Very high97.8Very high0 Ų046.4 Ų46.40%025%0.254CS..EExtended strand (participates in β ladder)trans-97.5117.5-170.2-52.5-68000111.5V39 I40 F48 L55 F72 M76 L113 I144 V145V39-F53 CarbonylContact C-O 3.58Å; V39-F53 WeakPolarHBondContact CA-O 3.28Å; I40-F53 PolarHBondContact N-O 3.14Å; I40-F53 WeakPolarHBondContact O-CD2 3.27Å; I40-F53 PolarHBondContact O-N 2.87Å; F48-F53 HydrophobicContact CB-CE2 4.02Å; F48-F53 HydrophobicContact CB-CZ 4.28Å; F48-F53 AromaticContact CD1-CE2 3.98Å; F48-F53 HydrophobicContact CD1-CE2 3.98Å; F48-F53 AromaticContact CD1-CZ 3.73Å; F48-F53 HydrophobicContact CD1-CZ 3.73Å; F48-F53 HydrophobicContact CG-CE2 4.45Å; F53-L55 VanDerWaalsContact O-CD1 3.28Å; F53-L55 WeakPolarHBondContact O-CD1 3.26Å; F53-F72 HydrophobicContact CB-CD1 3.91Å; F53-F72 HydrophobicContact CB-CE1 3.69Å; F53-F72 HydrophobicContact CG-CE1 4.47Å; F53-M76 HydrophobicContact CB-SD 4.34Å; F53-M76 HydrophobicContact CD1-CE 4.14Å; F53-M76 HydrophobicContact CD1-SD 3.49Å; F53-M76 WeakPolarHBondContact CD1-SD 3.18Å; F53-M76 HydrophobicContact CE1-CE 4.41Å; F53-M76 HydrophobicContact CE1-SD 4.02Å; F53-M76 HydrophobicContact CG-CE 4.25Å; F53-M76 HydrophobicContact CG-SD 3.97Å; F53-L113 HydrophobicContact CD2-CD1 4.13Å; F53-L113 HydrophobicContact CE2-CD1 4.4Å; F53-I144 HydrophobicContact CE1-CG2 3.96Å; F53-V145 HydrophobicContact CZ-CG2 4.07Å
54K98.1Very high97.8Very high61 Ų6146.6 Ų46.627%0.26526%0.255SS..EExtended strand (participates in β ladder)trans-82.1139.5177.8-66.4175.6175.7176.60110.3A38 V39 L73 S74 D151 S152A38-K54 CarbonylContact O-C 3.58Å; A38-K54 WeakPolarHBondContact O-CA 3.42Å; V39-K54 HydrophobicContact CG2-CG 4.34Å; K54-L73 HydrophobicContact CB-CB 4.1Å; K54-L73 PolarHBondContact O-N 2.81Å; K54-S74 PolarHBondContact N-OG 2.92Å; K54-S74 PolarHBondContact O-N 3.37Å; K54-D151 WeakPolarHBondContact CE-O 3.15Å; K54-D151 PolarHBondContact NZ-O 2.86Å; K54-S152 PolarHBondContact NZ-OXT 2.92Å
55L98.2Very high97.9Very high0 Ų044.2 Ų44.20%025%0.248CC..EExtended strand (participates in β ladder)trans-130.9155.2175.5-54.693.3000110.6A38 I40 F53 V70 R71 F72 I87 I109A38-L55 HydrophobicContact CB-CB 4.39Å; A38-L55 PolarHBondContact N-O 3.32Å; A38-L55 PolarHBondContact O-N 3.29Å; I40-L55 HydrophobicContact CB-CD1 4.07Å; I40-L55 HydrophobicContact CD1-CD1 3.74Å; I40-L55 HydrophobicContact CD1-CD2 4.07Å; I40-L55 HydrophobicContact CG1-CD1 3.67Å; F53-L55 VanDerWaalsContact O-CD1 3.28Å; F53-L55 WeakPolarHBondContact O-CD1 3.26Å; L55-V70 HydrophobicContact CD2-CG1 3.94Å; L55-R71 VanDerWaalsContact CA-O 3.31Å; L55-R71 WeakPolarHBondContact CA-O 3.45Å; L55-F72 HydrophobicContact CD1-CD1 4.17Å; L55-F72 HydrophobicContact CD1-CE1 3.94Å; L55-F72 HydrophobicContact CD2-CD1 3.89Å; L55-F72 HydrophobicContact CD2-CD2 4.34Å; L55-F72 HydrophobicContact CD2-CE1 3.72Å; L55-F72 HydrophobicContact CD2-CE2 4.19Å; L55-F72 HydrophobicContact CD2-CG 4.21Å; L55-F72 HydrophobicContact CD2-CZ 3.88Å; L55-F72 HydrophobicContact CG-CD1 3.64Å; L55-F72 HydrophobicContact CG-CE1 3.77Å; L55-F72 HydrophobicContact CG-CG 4.22Å; L55-F72 HydrophobicContact CG-CZ 4.44Å; L55-I87 HydrophobicContact CD2-CD1 4.11Å; L55-I109 HydrophobicContact CD2-CD1 4.16Å; L55-I109 HydrophobicContact CD2-CG2 4.16Å
56V98.3Very high98Very high15 Ų1545.4 Ų45.49%0.09123%0.233CC..EExtended strand (participates in β ladder)trans-114.9139.7164.465.60000109.5W36 E58 V70 R71 L73W36-V56 WeakPolarHBondContact O-CA 3.35Å; V56-E58 HydrophobicContact CG2-CG 4.24Å; V56-V70 WeakPolarHBondContact O-CA 3.37Å; V56-R71 HydrophobicContact CG1-CG 3.51Å; V56-R71 PolarHBondContact N-O 2.94Å; V56-R71 PolarHBondContact O-N 2.8Å; V56-R71 VanDerWaalsContact O-N 3.14Å; V56-L73 HydrophobicContact CB-CD1 4.38Å; V56-L73 HydrophobicContact CB-CD2 4.19Å; V56-L73 HydrophobicContact CB-CG 4.31Å; V56-L73 HydrophobicContact CG1-CD2 3.84Å; V56-L73 HydrophobicContact CG1-CG 4.37Å
57I98.6Very high98Very high0 Ų046.7 Ų46.70%024%0.241CC..EExtended strand (participates in β ladder)trans-120.4125.2174.5-48.2174000108.5Q35 W36 A38 F59 P68 T69 V70 V102 L106Q35-I57 CarbonylContact C-O 3.47Å; Q35-I57 WeakPolarHBondContact CA-O 3.5Å; W36-I57 HydrophobicContact CB-CB 4.18Å; W36-I57 PolarHBondContact N-O 2.9Å; W36-I57 PolarHBondContact O-N 3.29Å; A38-I57 HydrophobicContact CB-CD1 4.35Å; I57-F59 HydrophobicContact CB-CE2 3.96Å; I57-F59 HydrophobicContact CB-CZ 4.23Å; I57-F59 HydrophobicContact CG2-CD2 4.13Å; I57-F59 HydrophobicContact CG2-CE1 4.01Å; I57-F59 HydrophobicContact CG2-CE2 3.41Å; I57-F59 VanDerWaalsContact CG2-CE2 3.41Å; I57-F59 HydrophobicContact CG2-CZ 3.34Å; I57-P68 HydrophobicContact CG2-CB 3.54Å; I57-P68 HydrophobicContact CG2-CG 3.81Å; I57-T69 WeakPolarHBondContact CA-O 3.4Å; I57-V70 HydrophobicContact CG1-CG1 4.15Å; I57-V70 HydrophobicContact CG1-CG2 4.26Å; I57-V70 HydrophobicContact CG2-CG2 4.02Å; I57-V102 HydrophobicContact CD1-CG1 4.12Å; I57-L106 HydrophobicContact CD1-CD2 4.12Å
58E98.6Very high98.1Very high82 Ų8245.2 Ų45.238%0.38323%0.231SC..EExtended strand (participates in β ladder)trans-116.4121.7-179.7-60-172145.800110.2Q35 V56 P68 T69Q35-E58 HydrophobicContact CG-CG 4.44Å; V56-E58 HydrophobicContact CG2-CG 4.24Å; E58-P68 CarbonylContact O-C 3.37Å; E58-P68 VanDerWaalsContact O-CA 3.27Å; E58-P68 WeakPolarHBondContact O-CA 3.31Å; E58-P68 VanDerWaalsContact O-CB 3.25Å; E58-P68 WeakPolarHBondContact O-CB 3.37Å; E58-T69 PolarHBondContact N-O 3.44Å; E58-T69 PolarHBondContact O-N 3.03Å
59F98.6Very high98.1Very high18 Ų1849.6 Ų49.68%0.07926%0.259CS..  trans-103.6147.2-179-58.4-92.2000110.6L9 M34 W36 I57 Y63 P68 V102L9-F59 HydrophobicContact CD1-CB 4.03Å; L9-F59 HydrophobicContact CD1-CD1 4.39Å; L9-F59 HydrophobicContact CD1-CD2 4.26Å; L9-F59 HydrophobicContact CD1-CG 3.97Å; L9-F59 HydrophobicContact CD2-CD1 3.54Å; L9-F59 HydrophobicContact CD2-CD2 3.98Å; L9-F59 HydrophobicContact CD2-CE1 3.46Å; L9-F59 VanDerWaalsContact CD2-CE1 3.46Å; L9-F59 HydrophobicContact CD2-CE2 3.92Å; L9-F59 HydrophobicContact CD2-CG 3.81Å; L9-F59 HydrophobicContact CD2-CZ 3.66Å; M34-F59 HydrophobicContact CB-CB 4.38Å; M34-F59 WeakPolarHBondContact O-CD2 3.5Å; M34-F59 PolarHBondContact O-N 2.87Å; W36-F59 HydrophobicContact CB-CE2 4.26Å; W36-F59 AromaticContact CD1-CD2 3.86Å; W36-F59 AromaticContact CD1-CE2 3.38Å; W36-F59 HydrophobicContact CD2-CE2 4.25Å; W36-F59 AromaticContact CG-CE2 3.74Å; W36-F59 HydrophobicContact CG-CE2 3.74Å; W36-F59 AromaticContact NE1-CE2 3.71Å; I57-F59 HydrophobicContact CB-CE2 3.96Å; I57-F59 HydrophobicContact CB-CZ 4.23Å; I57-F59 HydrophobicContact CG2-CD2 4.13Å; I57-F59 HydrophobicContact CG2-CE1 4.01Å; I57-F59 HydrophobicContact CG2-CE2 3.41Å; I57-F59 VanDerWaalsContact CG2-CE2 3.41Å; I57-F59 HydrophobicContact CG2-CZ 3.34Å; F59-Y63 HydrophobicContact CD1-CD1 4.05Å; F59-Y63 AromaticContact CD1-CD2 3.71Å; F59-Y63 HydrophobicContact CD1-CD2 3.71Å; F59-Y63 HydrophobicContact CD1-CE1 4.29Å; F59-Y63 HydrophobicContact CD1-CE2 4.03Å; F59-Y63 AromaticContact CD1-CG 3.76Å; F59-Y63 HydrophobicContact CD1-CG 3.76Å; F59-Y63 HydrophobicContact CE1-CD1 4.47Å; F59-Y63 HydrophobicContact CE1-CD2 4.11Å; F59-Y63 HydrophobicContact CE1-CE1 4.25Å; F59-Y63 AromaticContact CE1-CE2 3.94Å; F59-Y63 HydrophobicContact CE1-CE2 3.94Å; F59-Y63 HydrophobicContact CE1-CG 4.42Å; F59-P68 HydrophobicContact CD1-CB 3.57Å; F59-P68 HydrophobicContact CD1-CG 4.12Å; F59-P68 HydrophobicContact CE1-CB 3.66Å; F59-P68 HydrophobicContact CE1-CG 3.76Å; F59-P68 HydrophobicContact CG-CB 4.12Å; F59-P68 HydrophobicContact CZ-CB 4.27Å; F59-P68 HydrophobicContact CZ-CG 4.41Å; F59-V102 HydrophobicContact CE1-CG2 4.3Å; F59-V102 HydrophobicContact CZ-CG2 3.79Å
60S98.1Very high98.1Very high48 Ų4846.1 Ų46.134%0.33624%0.243SC..  trans-104.2168.9167.1720000110.7M34 E62 Y63M34-S60 VanDerWaalsContact CE-C 3.46Å; M34-S60 WeakPolarHBondContact CE-O 3.5Å; S60-E62 PolarHBondContact O-N 3.37Å; S60-E62 VanDerWaalsContact O-N 3.08Å; S60-E62 PolarHBondContact OG-N 3.24Å; S60-Y63 WeakPolarHBondContact O-CB 3.24Å; S60-Y63 PolarHBondContact O-N 3.19Å; S60-Y63 VanDerWaalsContact O-N 3.09Å
61E97.7Very high98.2Very high91 Ų9145.1 Ų45.143%0.42523%0.23SC..THydrogen-bonded Turntrans-67-5.2174.3-64.8-69.7175.800112.9T3 R6 M34 Y63T3-E61 WeakPolarHBondContact CB-OE2 3.37Å; T3-E61 VanDerWaalsContact CG2-OE2 3.3Å; T3-E61 WeakPolarHBondContact CG2-OE2 3.34Å; T3-E61 PolarHBondContact OG1-OE2 3.12Å; R6-E61 IonicContact CZ-OE1 3.52Å; R6-E61 IonicContact NE-OE1 3.11Å; R6-E61 PolarHBondContact NE-OE1 3.38Å; R6-E61 VanDerWaalsContact NE-OE1 3.11Å; R6-E61 IonicContact NH2-OE1 3.06Å; R6-E61 PolarHBondContact NH2-OE1 3.29Å; M34-E61 HydrophobicContact CE-CB 4.47Å; M34-E61 VanDerWaalsContact CE-CD 3.4Å; M34-E61 HydrophobicContact CE-CG 3.91Å; E61-Y63 VanDerWaalsContact C-N 3.34Å
62E98.1Very high98.2Very high97 Ų9745.3 Ų45.345%0.45323%0.231SC..THydrogen-bonded Turntrans-84.9-5.8172.9-58.2-170.9-118.700113.1S60 N65 K66S60-E62 PolarHBondContact O-N 3.37Å; S60-E62 VanDerWaalsContact O-N 3.08Å; S60-E62 PolarHBondContact OG-N 3.24Å; E62-N65 WeakPolarHBondContact O-CA 3.49Å; E62-N65 WeakPolarHBondContact O-CB 3.24Å; E62-N65 PolarHBondContact O-N 3.36Å; E62-K66 HydrophobicContact CB-CB 4.04Å; E62-K66 HydrophobicContact CB-CD 4.13Å; E62-K66 HydrophobicContact CB-CG 4.07Å; E62-K66 HydrophobicContact CG-CD 4.45Å; E62-K66 PolarHBondContact O-N 3.08Å; E62-K66 VanDerWaalsContact O-N 3.12Å; E62-K66 IonicContact OE1-NZ 2.78Å; E62-K66 PolarHBondContact OE1-NZ 3.47Å; E62-K66 WeakPolarHBondContact OE2-CD 3.21Å; E62-K66 WeakPolarHBondContact OE2-CE 3.38Å; E62-K66 IonicContact OE2-NZ 2.76Å; E62-K66 PolarHBondContact OE2-NZ 2.88Å
63Y98.4Very high98.2Very high5 Ų547 Ų472%0.0224%0.238CC..THydrogen-bonded Turntrans-64.4134174.8-173-106000111.2A5 R8 L9 D12 F59 S60 E61 W96 Y100A5-Y63 WeakPolarHBondContact CA-O 3.49Å; A5-Y63 VanDerWaalsContact CB-O 3.27Å; A5-Y63 WeakPolarHBondContact CB-O 3.44Å; R8-Y63 HydrophobicContact CB-CD1 4.46Å; R8-Y63 HydrophobicContact CB-CE1 4.45Å; R8-Y63 HydrophobicContact CG-CD1 3.83Å; R8-Y63 HydrophobicContact CG-CE1 3.44Å; R8-Y63 VanDerWaalsContact CG-CE1 3.44Å; L9-Y63 HydrophobicContact CD2-CD1 3.76Å; L9-Y63 HydrophobicContact CD2-CE1 3.6Å; L9-Y63 HydrophobicContact CG-CD1 3.9Å; L9-Y63 HydrophobicContact CG-CE1 4.1Å; D12-Y63 PolarHBondContact OD2-OH 3.5Å; F59-Y63 HydrophobicContact CD1-CD1 4.05Å; F59-Y63 AromaticContact CD1-CD2 3.71Å; F59-Y63 HydrophobicContact CD1-CD2 3.71Å; F59-Y63 HydrophobicContact CD1-CE1 4.29Å; F59-Y63 HydrophobicContact CD1-CE2 4.03Å; F59-Y63 AromaticContact CD1-CG 3.76Å; F59-Y63 HydrophobicContact CD1-CG 3.76Å; F59-Y63 HydrophobicContact CE1-CD1 4.47Å; F59-Y63 HydrophobicContact CE1-CD2 4.11Å; F59-Y63 HydrophobicContact CE1-CE1 4.25Å; F59-Y63 AromaticContact CE1-CE2 3.94Å; F59-Y63 HydrophobicContact CE1-CE2 3.94Å; F59-Y63 HydrophobicContact CE1-CG 4.42Å; S60-Y63 WeakPolarHBondContact O-CB 3.24Å; S60-Y63 PolarHBondContact O-N 3.19Å; S60-Y63 VanDerWaalsContact O-N 3.09Å; E61-Y63 VanDerWaalsContact C-N 3.34Å; Y63-W96 HydrophobicContact CD2-CZ2 4.2Å; Y63-W96 AromaticContact CE2-CH2 3.67Å; Y63-W96 HydrophobicContact CE2-CH2 3.67Å; Y63-W96 AromaticContact CE2-CZ2 3.66Å; Y63-W96 HydrophobicContact CE2-CZ2 3.66Å; Y63-Y100 PolarHBondContact OH-O 3.04Å
64P98Very high98.2Very high25 Ų2547.2 Ų47.216%0.16224%0.239CC..THydrogen-bonded Turncis-96.210.57.739.9-38.2000114.8R8 K66 W96 P98R8-P64 HydrophobicContact CG-CB 4.42Å; R8-P64 HydrophobicContact CG-CG 4.31Å; P64-K66 VanDerWaalsContact C-N 3.3Å; P64-K66 PolarHBondContact O-N 3Å; P64-W96 HydrophobicContact CB-CZ2 4.41Å; P64-W96 WeakPolarHBondContact O-CZ2 3.42Å; P64-W96 PolarHBondContact O-NE1 3.49Å; P64-P98 HydrophobicContact CB-CB 4.21Å; P64-P98 HydrophobicContact CG-CB 4.13Å; P64-P98 VanDerWaalsContact O-CA 3.28Å; P64-P98 WeakPolarHBondContact O-CA 3.38Å; P64-P98 WeakPolarHBondContact O-CB 3.5Å
65N98Very high98.1Very high121 Ų12150.8 Ų50.865%0.64726%0.255SS*.THydrogen-bonded Turntrans-70.1-31.3-179.7-63.6-28.4000112E62E62-N65 WeakPolarHBondContact O-CA 3.49Å; E62-N65 WeakPolarHBondContact O-CB 3.24Å; E62-N65 PolarHBondContact O-N 3.36Å
66K98Very high98.1Very high99 Ų9951.9 Ų51.943%0.4326%0.26SS..SBendtrans-109.1147.4166.6-71.3-169.2-180157.70111.4E62 P64E62-K66 HydrophobicContact CB-CB 4.04Å; E62-K66 HydrophobicContact CB-CD 4.13Å; E62-K66 HydrophobicContact CB-CG 4.07Å; E62-K66 HydrophobicContact CG-CD 4.45Å; E62-K66 PolarHBondContact O-N 3.08Å; E62-K66 VanDerWaalsContact O-N 3.12Å; E62-K66 IonicContact OE1-NZ 2.78Å; E62-K66 PolarHBondContact OE1-NZ 3.47Å; E62-K66 WeakPolarHBondContact OE2-CD 3.21Å; E62-K66 WeakPolarHBondContact OE2-CE 3.38Å; E62-K66 IonicContact OE2-NZ 2.76Å; E62-K66 PolarHBondContact OE2-NZ 2.88Å; P64-K66 VanDerWaalsContact C-N 3.3Å; P64-K66 PolarHBondContact O-N 3Å
67P98.3Very high98.1Very high39 Ų3952.1 Ų52.125%0.25326%0.26SS..PPolyproline II helixtrans-65.1154.9174.127.7-33000110.7L92 W96P67-L92 WeakPolarHBondContact CG-O 3.43Å; P67-W96 HydrophobicContact CB-CB 4.21Å; P67-W96 HydrophobicContact CB-CD2 3.51Å; P67-W96 HydrophobicContact CB-CE3 3.6Å; P67-W96 HydrophobicContact CB-CG 3.77Å; P67-W96 HydrophobicContact CB-CZ3 4.23Å; P67-W96 HydrophobicContact CG-CB 4.17Å; P67-W96 HydrophobicContact CG-CD2 4.28Å; P67-W96 HydrophobicContact CG-CG 4.01Å
68P98.5Very high98.1Very high6 Ų652.1 Ų52.14%0.03926%0.26CS..PPolyproline II helixtrans-71.4162.8163.532.3-33.5000111.3I57 E58 F59 V70 I105I57-P68 HydrophobicContact CG2-CB 3.54Å; I57-P68 HydrophobicContact CG2-CG 3.81Å; E58-P68 CarbonylContact O-C 3.37Å; E58-P68 VanDerWaalsContact O-CA 3.27Å; E58-P68 WeakPolarHBondContact O-CA 3.31Å; E58-P68 VanDerWaalsContact O-CB 3.25Å; E58-P68 WeakPolarHBondContact O-CB 3.37Å; F59-P68 HydrophobicContact CD1-CB 3.57Å; F59-P68 HydrophobicContact CD1-CG 4.12Å; F59-P68 HydrophobicContact CE1-CB 3.66Å; F59-P68 HydrophobicContact CE1-CG 3.76Å; F59-P68 HydrophobicContact CG-CB 4.12Å; F59-P68 HydrophobicContact CZ-CB 4.27Å; F59-P68 HydrophobicContact CZ-CG 4.41Å; P68-V70 HydrophobicContact CG-CG2 4.3Å; P68-I105 HydrophobicContact CG-CD1 3.72Å
69T98.3Very high98.1Very high93 Ų9348.2 Ų48.257%0.57124%0.242SC*.EExtended strand (participates in β ladder)trans-85131.2164.3-57.10000108.9I57 E58I57-T69 WeakPolarHBondContact CA-O 3.4Å; E58-T69 PolarHBondContact N-O 3.44Å; E58-T69 PolarHBondContact O-N 3.03Å
70V98.5Very high98.1Very high8 Ų847.5 Ų47.55%0.04824%0.239CC..EExtended strand (participates in β ladder)trans-126.3135.2178.6-170.60000109.2L55 V56 I57 P68 I87 L92 I105 I109L55-V70 HydrophobicContact CD2-CG1 3.94Å; V56-V70 WeakPolarHBondContact O-CA 3.37Å; I57-V70 HydrophobicContact CG1-CG1 4.15Å; I57-V70 HydrophobicContact CG1-CG2 4.26Å; I57-V70 HydrophobicContact CG2-CG2 4.02Å; P68-V70 HydrophobicContact CG-CG2 4.3Å; V70-I87 HydrophobicContact CB-CD1 4.43Å; V70-I87 HydrophobicContact CG1-CD1 3.96Å; V70-L92 HydrophobicContact CB-CD1 4.01Å; V70-L92 HydrophobicContact CG2-CD1 3.98Å; V70-L92 HydrophobicContact CG2-CD2 3.99Å; V70-I105 HydrophobicContact CG2-CG2 4.11Å; V70-I109 HydrophobicContact CB-CD1 4.4Å; V70-I109 HydrophobicContact CG1-CD1 3.67Å
71R98.4Very high98.1Very high95 Ų9545.3 Ų45.336%0.35822%0.224SC..EExtended strand (participates in β ladder)trans-146.4150171.265.8-177.7-176.884.45.5111.7L55 V56 L73 G85L55-R71 VanDerWaalsContact CA-O 3.31Å; L55-R71 WeakPolarHBondContact CA-O 3.45Å; V56-R71 HydrophobicContact CG1-CG 3.51Å; V56-R71 PolarHBondContact N-O 2.94Å; V56-R71 PolarHBondContact O-N 2.8Å; V56-R71 VanDerWaalsContact O-N 3.14Å; R71-L73 VanDerWaalsContact NH1-CD2 3.33Å; R71-G85 CarbonylContact C-O 3.51Å; R71-G85 WeakPolarHBondContact CA-O 2.75Å; R71-G85 WeakPolarHBondContact CB-O 3.19Å
72F98.5Very high98.1Very high4 Ų445.7 Ų45.72%0.01822%0.222CC..EExtended strand (participates in β ladder)trans-68.2138.4167.1-72.8-84.4000110.5F53 L55 M76 V81 G85 I87 I109 L113F53-F72 HydrophobicContact CB-CD1 3.91Å; F53-F72 HydrophobicContact CB-CE1 3.69Å; F53-F72 HydrophobicContact CG-CE1 4.47Å; L55-F72 HydrophobicContact CD1-CD1 4.17Å; L55-F72 HydrophobicContact CD1-CE1 3.94Å; L55-F72 HydrophobicContact CD2-CD1 3.89Å; L55-F72 HydrophobicContact CD2-CD2 4.34Å; L55-F72 HydrophobicContact CD2-CE1 3.72Å; L55-F72 HydrophobicContact CD2-CE2 4.19Å; L55-F72 HydrophobicContact CD2-CG 4.21Å; L55-F72 HydrophobicContact CD2-CZ 3.88Å; L55-F72 HydrophobicContact CG-CD1 3.64Å; L55-F72 HydrophobicContact CG-CE1 3.77Å; L55-F72 HydrophobicContact CG-CG 4.22Å; L55-F72 HydrophobicContact CG-CZ 4.44Å; F72-M76 HydrophobicContact CB-CG 3.65Å; F72-M76 HydrophobicContact CD1-CE 4.31Å; F72-M76 HydrophobicContact CD1-CG 3.88Å; F72-M76 HydrophobicContact CD1-SD 3.81Å; F72-M76 HydrophobicContact CD2-CG 3.8Å; F72-M76 HydrophobicContact CE1-CE 4.01Å; F72-M76 HydrophobicContact CE1-CG 4.47Å; F72-M76 HydrophobicContact CE1-SD 4.08Å; F72-M76 HydrophobicContact CE2-CE 4.37Å; F72-M76 HydrophobicContact CE2-CG 4.4Å; F72-M76 HydrophobicContact CG-CG 3.5Å; F72-M76 VanDerWaalsContact CG-CG 3.5Å; F72-M76 HydrophobicContact CG-SD 4.09Å; F72-M76 HydrophobicContact CZ-CE 4.03Å; F72-V81 HydrophobicContact CD2-CG1 3.91Å; F72-V81 HydrophobicContact CD2-CG2 4.01Å; F72-V81 HydrophobicContact CE2-CG2 3.79Å; F72-G85 PolarHBondContact N-O 2.94Å; F72-I87 HydrophobicContact CD2-CD1 3.84Å; F72-I87 HydrophobicContact CD2-CG1 3.89Å; F72-I87 HydrophobicContact CE2-CD1 3.57Å; F72-I87 HydrophobicContact CE2-CG1 3.89Å; F72-I87 HydrophobicContact CZ-CD1 4.44Å; F72-I109 HydrophobicContact CE2-CG2 4.03Å; F72-I109 HydrophobicContact CZ-CG2 3.66Å; F72-L113 HydrophobicContact CZ-CD2 4.45Å
73L97.8Very high98Very high80 Ų8046.6 Ų46.642%0.41925%0.246SC..SBendtrans-90.5-38.8165.1-62.4-177.6000110.3K54 V56 R71K54-L73 HydrophobicContact CB-CB 4.1Å; K54-L73 PolarHBondContact O-N 2.81Å; V56-L73 HydrophobicContact CB-CD1 4.38Å; V56-L73 HydrophobicContact CB-CD2 4.19Å; V56-L73 HydrophobicContact CB-CG 4.31Å; V56-L73 HydrophobicContact CG1-CD2 3.84Å; V56-L73 HydrophobicContact CG1-CG 4.37Å; R71-L73 VanDerWaalsContact NH1-CD2 3.33Å
74S97.3Very high97.9Very high4 Ų451.3 Ų51.33%0.02827%0.271CS..SBendtrans-61.2145.2169.5-61.40000109.9K54K54-S74 PolarHBondContact N-OG 2.92Å; K54-S74 PolarHBondContact O-N 3.37Å
75K96.8Very high97.9Very high136 Ų13650.4 Ų50.459%0.59127%0.266SS*.  trans-63.6142.1170.2-67.3-167.6-165.7152.70109.2I144K75-I144 HydrophobicContact CB-CD1 4.15Å; K75-I144 WeakPolarHBondContact O-CG2 3.37Å
76M98.1Very high97.9Very high24 Ų2446.2 Ų46.212%0.11825%0.247CC..  trans-128.4143.8-179-64.5-56.8-7100111.3F48 F53 F72 V81 L113F48-M76 HydrophobicContact CD1-CE 4.34Å; F48-M76 HydrophobicContact CE1-CE 3.92Å; F53-M76 HydrophobicContact CB-SD 4.34Å; F53-M76 HydrophobicContact CD1-CE 4.14Å; F53-M76 HydrophobicContact CD1-SD 3.49Å; F53-M76 WeakPolarHBondContact CD1-SD 3.18Å; F53-M76 HydrophobicContact CE1-CE 4.41Å; F53-M76 HydrophobicContact CE1-SD 4.02Å; F53-M76 HydrophobicContact CG-CE 4.25Å; F53-M76 HydrophobicContact CG-SD 3.97Å; F72-M76 HydrophobicContact CB-CG 3.65Å; F72-M76 HydrophobicContact CD1-CE 4.31Å; F72-M76 HydrophobicContact CD1-CG 3.88Å; F72-M76 HydrophobicContact CD1-SD 3.81Å; F72-M76 HydrophobicContact CD2-CG 3.8Å; F72-M76 HydrophobicContact CE1-CE 4.01Å; F72-M76 HydrophobicContact CE1-CG 4.47Å; F72-M76 HydrophobicContact CE1-SD 4.08Å; F72-M76 HydrophobicContact CE2-CE 4.37Å; F72-M76 HydrophobicContact CE2-CG 4.4Å; F72-M76 HydrophobicContact CG-CG 3.5Å; F72-M76 VanDerWaalsContact CG-CG 3.5Å; F72-M76 HydrophobicContact CG-SD 4.09Å; F72-M76 HydrophobicContact CZ-CE 4.03Å; M76-V81 HydrophobicContact CB-CB 4.16Å; M76-V81 HydrophobicContact CB-CG1 3.72Å; M76-V81 HydrophobicContact CG-CG1 4.08Å; M76-L113 HydrophobicContact CE-CD2 3.78Å
77F98.3Very high97.9Very high19 Ų1942.1 Ų42.18%0.08323%0.23CC..  trans-123.685.2166.4-168.4-103.1000108.7Q125 A126 L129 Y137 R140 V141 I144F77-Q125 HydrophobicContact CE2-CG 4.47Å; F77-Q125 HydrophobicContact CZ-CG 4.29Å; F77-A126 HydrophobicContact CD1-CB 4.15Å; F77-A126 HydrophobicContact CD2-CB 4.39Å; F77-A126 HydrophobicContact CE1-CB 3.82Å; F77-A126 HydrophobicContact CE2-CB 4.07Å; F77-A126 HydrophobicContact CG-CB 4.41Å; F77-A126 HydrophobicContact CZ-CB 3.76Å; F77-L129 HydrophobicContact CE1-CD1 4.12Å; F77-L129 HydrophobicContact CZ-CD1 3.89Å; F77-Y137 HydrophobicContact CD1-CD2 4.23Å; F77-Y137 HydrophobicContact CD1-CE2 4.28Å; F77-Y137 AromaticContact CE1-CD2 3.93Å; F77-Y137 HydrophobicContact CE1-CD2 3.93Å; F77-Y137 HydrophobicContact CE1-CE2 4.34Å; F77-R140 HydrophobicContact CD1-CB 3.65Å; F77-R140 HydrophobicContact CE1-CB 3.81Å; F77-R140 HydrophobicContact CE1-CG 4.37Å; F77-R140 HydrophobicContact CG-CB 4.23Å; F77-V141 HydrophobicContact CD1-CG2 4.29Å; F77-I144 HydrophobicContact CB-CD1 4.49Å; F77-I144 HydrophobicContact CB-CG1 3.77Å
78H98.4Very high97.7Very high0 Ų041.8 Ų41.80%023%0.228CC..  trans-141.8139.7-173-176.3-91.1000110.6F48 N80 V81 L112 P116 N123F48-H78 AromaticContact CE2-CD2 3.7Å; F48-H78 HydrophobicContact CZ-CB 4.09Å; F48-H78 AromaticContact CZ-CD2 3.59Å; H78-N80 PolarHBondContact CE1-OD1 2.96Å; H78-N80 PolarHBondContact ND1-N 2.78Å; H78-N80 PolarHBondContact O-N 3.03Å; H78-N80 VanDerWaalsContact O-N 3.11Å; H78-V81 HydrophobicContact CB-CB 4.08Å; H78-V81 HydrophobicContact CB-CG2 3.83Å; H78-V81 PolarHBondContact O-N 3.37Å; H78-V81 VanDerWaalsContact O-N 3.16Å; H78-L112 PolarHBondContact CE1-O 2.87Å; H78-L112 PolarHBondContact NE2-O 2.78Å; H78-P116 WeakPolarHBondContact NE2-CG 3.44Å; H78-N123 WeakPolarHBondContact O-CB 3.36Å
79P98.3Very high97.6Very high0 Ų042.4 Ų42.40%023%0.231CC..THydrogen-bonded Turntrans-52.1-35.5-178.6-3138.2000114.8P116 P121 A122 N123 A126 A127 Y130 Y137P79-P116 HydrophobicContact CB-CB 4.33Å; P79-P116 HydrophobicContact CG-CB 3.83Å; P79-P121 CarbonylContact O-C 3.56Å; P79-P121 WeakPolarHBondContact O-CA 3.25Å; P79-A122 PolarHBondContact O-N 3.37Å; P79-N123 PolarHBondContact O-N 2.86Å; P79-A126 HydrophobicContact CG-CB 4.32Å; P79-A127 HydrophobicContact CB-CB 4.04Å; P79-Y130 HydrophobicContact CG-CG 4.48Å; P79-Y137 HydrophobicContact CG-CE2 4.49Å
80N98.3Very high97.3Very high4 Ų440.9 Ų40.92%0.02122%0.219CC..THydrogen-bonded Turntrans-103.914.2-176-52.7102.2000114.7H78 C88 L112 N117H78-N80 PolarHBondContact CE1-OD1 2.96Å; H78-N80 PolarHBondContact ND1-N 2.78Å; H78-N80 PolarHBondContact O-N 3.03Å; H78-N80 VanDerWaalsContact O-N 3.11Å; N80-C88 PolarHBondContact O-N 3.11Å; N80-L112 HydrophobicContact CB-CD1 4.07Å; N80-L112 HydrophobicContact CB-CD2 3.88Å; N80-L112 HydrophobicContact CB-CG 4.23Å; N80-N117 PolarHBondContact ND2-O 3.16Å; N80-N117 PolarHBondContact OD1-N 3.03Å; N80-N117 PolarHBondContact OD1-O 3.5Å
81V98.4Very high97.2Very high2 Ų241.2 Ų41.21%0.01222%0.22CC..BIsolated β-bridgetrans-117.5128.2175.4-177.20000109.9F72 M76 H78 N123F72-V81 HydrophobicContact CD2-CG1 3.91Å; F72-V81 HydrophobicContact CD2-CG2 4.01Å; F72-V81 HydrophobicContact CE2-CG2 3.79Å; M76-V81 HydrophobicContact CB-CB 4.16Å; M76-V81 HydrophobicContact CB-CG1 3.72Å; M76-V81 HydrophobicContact CG-CG1 4.08Å; H78-V81 HydrophobicContact CB-CB 4.08Å; H78-V81 HydrophobicContact CB-CG2 3.83Å; H78-V81 PolarHBondContact O-N 3.37Å; H78-V81 VanDerWaalsContact O-N 3.16Å; V81-N123 WeakPolarHBondContact O-CB 3.25Å
82Y97.8Very high97Very high99 Ų9937.6 Ų37.639%0.38821%0.208SC..  trans-75.1165.8176.8-67.2-82.2000111.6D84 G85 S86 C88 A122Y82-D84 VanDerWaalsContact CB-OD1 3.29Å; Y82-D84 WeakPolarHBondContact CB-OD1 3.37Å; Y82-D84 PolarHBondContact O-N 3.47Å; Y82-G85 PolarHBondContact O-N 2.83Å; Y82-S86 WeakPolarHBondContact CB-OG 3.3Å; Y82-S86 WeakPolarHBondContact CD2-O 3.41Å; Y82-S86 WeakPolarHBondContact CD2-OG 3.3Å; Y82-S86 PolarHBondContact N-O 3.04Å; Y82-C88 HydrophobicContact CE2-CB 3.93Å; Y82-A122 HydrophobicContact CD1-CB 3.7Å; Y82-A122 HydrophobicContact CD2-CB 3.68Å; Y82-A122 HydrophobicContact CE1-CB 3.64Å; Y82-A122 HydrophobicContact CE2-CB 3.63Å; Y82-A122 HydrophobicContact CG-CB 3.72Å
83A95.4Very high96.8Very high115 Ų11542.3 Ų42.395%0.9523%0.23SC*.THydrogen-bonded Turntrans-62.4-24.7-17900000114G85A83-G85 VanDerWaalsContact C-N 3.28Å
84D96.5Very high96.5Very high104 Ų10444.8 Ų44.856%0.55624%0.244SC*.THydrogen-bonded Turntrans-86.62.6175.570.6-15.7000113.4Y82 S86Y82-D84 VanDerWaalsContact CB-OD1 3.29Å; Y82-D84 WeakPolarHBondContact CB-OD1 3.37Å; Y82-D84 PolarHBondContact O-N 3.47Å; D84-S86 VanDerWaalsContact C-N 3.32Å; D84-S86 VanDerWaalsContact OD1-CB 3.3Å; D84-S86 WeakPolarHBondContact OD1-CB 3.41Å; D84-S86 PolarHBondContact OD1-N 3.05Å; D84-S86 PolarHBondContact OD1-OG 3.23Å
85G97.8Very high96.5Very high6 Ų652.3 Ų52.36%0.06227%0.272CS..SBendtrans85.4-4.6-178.300000114.4R71 F72 Y82 A83R71-G85 CarbonylContact C-O 3.51Å; R71-G85 WeakPolarHBondContact CA-O 2.75Å; R71-G85 WeakPolarHBondContact CB-O 3.19Å; F72-G85 PolarHBondContact N-O 2.94Å; Y82-G85 PolarHBondContact O-N 2.83Å; A83-G85 VanDerWaalsContact C-N 3.28Å
86S97.8Very high96.6Very high34 Ų3447.4 Ų47.424%0.23825%0.249CC..BIsolated β-bridgetrans-63.1149.3175.263.30000111Y82 D84Y82-S86 WeakPolarHBondContact CB-OG 3.3Å; Y82-S86 WeakPolarHBondContact CD2-O 3.41Å; Y82-S86 WeakPolarHBondContact CD2-OG 3.3Å; Y82-S86 PolarHBondContact N-O 3.04Å; D84-S86 VanDerWaalsContact C-N 3.32Å; D84-S86 VanDerWaalsContact OD1-CB 3.3Å; D84-S86 WeakPolarHBondContact OD1-CB 3.41Å; D84-S86 PolarHBondContact OD1-N 3.05Å; D84-S86 PolarHBondContact OD1-OG 3.23Å
87I97.6Very high96.5Very high13 Ų1348 Ų487%0.06726%0.256CS..BIsolated β-bridgetrans-112.3127.1-168.8-51.5174.3000109.8L55 V70 F72 L89 I109 L112L55-I87 HydrophobicContact CD2-CD1 4.11Å; V70-I87 HydrophobicContact CB-CD1 4.43Å; V70-I87 HydrophobicContact CG1-CD1 3.96Å; F72-I87 HydrophobicContact CD2-CD1 3.84Å; F72-I87 HydrophobicContact CD2-CG1 3.89Å; F72-I87 HydrophobicContact CE2-CD1 3.57Å; F72-I87 HydrophobicContact CE2-CG1 3.89Å; F72-I87 HydrophobicContact CZ-CD1 4.44Å; I87-L89 HydrophobicContact CG2-CB 3.89Å; I87-L89 PolarHBondContact O-N 3.46Å; I87-I109 HydrophobicContact CD1-CD1 3.77Å; I87-I109 HydrophobicContact CD1-CG1 4.04Å; I87-I109 HydrophobicContact CD1-CG2 3.93Å; I87-L112 HydrophobicContact CG2-CD2 3.74Å
88C95.5Very high96.5Very high31 Ų3149.8 Ų49.821%0.20927%0.269CS..  trans-86.488.3168.9-170.20000109.4N80 Y82 A122N80-C88 PolarHBondContact O-N 3.11Å; Y82-C88 HydrophobicContact CE2-CB 3.93Å; C88-A122 HydrophobicContact CB-CB 3.99Å
89L94.9Very high96.5Very high20 Ų2055 Ų5511%0.10530%0.301CS..  trans-133.9126.8178.2-179.662.8000109.4I87 I91 L92 I109 L112I87-L89 HydrophobicContact CG2-CB 3.89Å; I87-L89 PolarHBondContact O-N 3.46Å; L89-I91 VanDerWaalsContact C-N 3.33Å; L89-I91 HydrophobicContact CD1-CG1 4.41Å; L89-I91 HydrophobicContact CD2-CD1 4.08Å; L89-I91 HydrophobicContact CD2-CG1 3.62Å; L89-I91 HydrophobicContact CG-CG1 3.68Å; L89-I91 PolarHBondContact O-N 2.99Å; L89-L92 HydrophobicContact CB-CD1 4.29Å; L89-L92 HydrophobicContact CB-CG 4.46Å; L89-L92 HydrophobicContact CD2-CD1 4.28Å; L89-L92 HydrophobicContact CD2-CG 4.31Å; L89-L92 WeakPolarHBondContact O-CB 3.36Å; L89-L92 PolarHBondContact O-N 3.19Å; L89-I109 HydrophobicContact CD2-CG1 3.93Å; L89-L112 HydrophobicContact CB-CD2 4.39Å; L89-L112 HydrophobicContact CD1-CD2 4.34Å
90D93.3Very high96.5Very high61 Ų6158.3 Ų58.333%0.32631%0.314SS..G310 helixtrans-64.4-34.4-170.664.3-12.5000113.4L92 Q93 N94 R95D90-L92 PolarHBondContact O-N 2.93Å; D90-Q93 CarbonylContact O-C 3.47Å; D90-Q93 WeakPolarHBondContact O-CA 3.41Å; D90-Q93 PolarHBondContact O-N 3.2Å; D90-N94 PolarHBondContact O-N 2.96Å; D90-R95 HydrophobicContact CB-CB 4.32Å; D90-R95 HydrophobicContact CB-CG 4.11Å; D90-R95 PolarHBondContact O-N 3.22Å; D90-R95 WeakPolarHBondContact OD2-CD 3.21Å; D90-R95 IonicContact OD2-CZ 2.64Å; D90-R95 IonicContact OD2-NE 3.8Å; D90-R95 PolarHBondContact OD2-NE 2.86Å; D90-R95 IonicContact OD2-NH1 3.47Å
91I95.5Very high96.4Very high14 Ų1458.4 Ų58.47%0.07232%0.315CS..G310 helixtrans-64.3-24.3175.167.9150.6000112.3L89 Q93 W96 Y100 S108L89-I91 VanDerWaalsContact C-N 3.33Å; L89-I91 HydrophobicContact CD1-CG1 4.41Å; L89-I91 HydrophobicContact CD2-CD1 4.08Å; L89-I91 HydrophobicContact CD2-CG1 3.62Å; L89-I91 HydrophobicContact CG-CG1 3.68Å; L89-I91 PolarHBondContact O-N 2.99Å; I91-Q93 VanDerWaalsContact C-N 3.26Å; I91-W96 WeakPolarHBondContact O-CA 3.44Å; I91-W96 VanDerWaalsContact O-CB 3.32Å; I91-W96 WeakPolarHBondContact O-CB 3.42Å; I91-W96 VanDerWaalsContact O-CE3 3.29Å; I91-W96 PolarHBondContact O-N 3.45Å; I91-Y100 HydrophobicContact CB-CD2 4.48Å; I91-Y100 HydrophobicContact CB-CE2 3.97Å; I91-Y100 HydrophobicContact CG2-CE2 4.08Å; I91-S108 VanDerWaalsContact CD1-CB 3.46Å; I91-S108 WeakPolarHBondContact CD1-OG 3.36Å
92L95.4Very high96.4Very high20 Ų2058.3 Ų58.311%0.10531%0.314CS..G310 helixtrans-86.92.3173.7-64.1177000112.6P67 V70 L89 D90 I105P67-L92 WeakPolarHBondContact CG-O 3.43Å; V70-L92 HydrophobicContact CB-CD1 4.01Å; V70-L92 HydrophobicContact CG2-CD1 3.98Å; V70-L92 HydrophobicContact CG2-CD2 3.99Å; L89-L92 HydrophobicContact CB-CD1 4.29Å; L89-L92 HydrophobicContact CB-CG 4.46Å; L89-L92 HydrophobicContact CD2-CD1 4.28Å; L89-L92 HydrophobicContact CD2-CG 4.31Å; L89-L92 WeakPolarHBondContact O-CB 3.36Å; L89-L92 PolarHBondContact O-N 3.19Å; D90-L92 PolarHBondContact O-N 2.93Å; L92-I105 HydrophobicContact CD2-CG1 4.43Å; L92-I105 HydrophobicContact CD2-CG2 4.08Å
93Q92.8Very high96.4Very high102 Ų10254 Ų5448%0.47730%0.299SS..THydrogen-bonded Turntrans-130.9-113.6-174.7-59.7178.323.800110.2D90 I91 R95 W96D90-Q93 CarbonylContact O-C 3.47Å; D90-Q93 WeakPolarHBondContact O-CA 3.41Å; D90-Q93 PolarHBondContact O-N 3.2Å; I91-Q93 VanDerWaalsContact C-N 3.26Å; Q93-R95 VanDerWaalsContact C-N 3.35Å; Q93-R95 PolarHBondContact O-N 3.26Å; Q93-W96 PolarHBondContact O-N 3.23Å
94N93.3Very high96.5Very high132 Ų13250 Ų5071%0.70626%0.264SS*.THydrogen-bonded Turntrans-79-13.2-172.461.8-50.7000114.2D90D90-N94 PolarHBondContact O-N 2.96Å
95R96.2Very high96.6Very high163 Ų16345.1 Ų45.162%0.61524%0.237SC*.THydrogen-bonded Turntrans-10513.6175-60.9-156.7-172.6-176.2-3.4113.6D90 Q93 S97 Y100D90-R95 HydrophobicContact CB-CB 4.32Å; D90-R95 HydrophobicContact CB-CG 4.11Å; D90-R95 PolarHBondContact O-N 3.22Å; D90-R95 WeakPolarHBondContact OD2-CD 3.21Å; D90-R95 IonicContact OD2-CZ 2.64Å; D90-R95 IonicContact OD2-NE 3.8Å; D90-R95 PolarHBondContact OD2-NE 2.86Å; D90-R95 IonicContact OD2-NH1 3.47Å; Q93-R95 VanDerWaalsContact C-N 3.35Å; Q93-R95 PolarHBondContact O-N 3.26Å; R95-S97 PolarHBondContact O-N 3.47Å; R95-Y100 WeakPolarHBondContact O-CE2 3.22Å
96W98Very high96.6Very high33 Ų3344.8 Ų44.813%0.12523%0.234CC..  trans-57.8136.2174.3175.7-104.9000111.5Y63 P64 P67 I91 Q93 Y100 I105Y63-W96 HydrophobicContact CD2-CZ2 4.2Å; Y63-W96 AromaticContact CE2-CH2 3.67Å; Y63-W96 HydrophobicContact CE2-CH2 3.67Å; Y63-W96 AromaticContact CE2-CZ2 3.66Å; Y63-W96 HydrophobicContact CE2-CZ2 3.66Å; P64-W96 HydrophobicContact CB-CZ2 4.41Å; P64-W96 WeakPolarHBondContact O-CZ2 3.42Å; P64-W96 PolarHBondContact O-NE1 3.49Å; P67-W96 HydrophobicContact CB-CB 4.21Å; P67-W96 HydrophobicContact CB-CD2 3.51Å; P67-W96 HydrophobicContact CB-CE3 3.6Å; P67-W96 HydrophobicContact CB-CG 3.77Å; P67-W96 HydrophobicContact CB-CZ3 4.23Å; P67-W96 HydrophobicContact CG-CB 4.17Å; P67-W96 HydrophobicContact CG-CD2 4.28Å; P67-W96 HydrophobicContact CG-CG 4.01Å; I91-W96 WeakPolarHBondContact O-CA 3.44Å; I91-W96 VanDerWaalsContact O-CB 3.32Å; I91-W96 WeakPolarHBondContact O-CB 3.42Å; I91-W96 VanDerWaalsContact O-CE3 3.29Å; I91-W96 PolarHBondContact O-N 3.45Å; Q93-W96 PolarHBondContact O-N 3.23Å; W96-Y100 HydrophobicContact CD2-CD2 4.42Å; W96-Y100 AromaticContact CE3-CD2 3.83Å; W96-Y100 HydrophobicContact CE3-CD2 3.83Å; W96-Y100 HydrophobicContact CZ3-CD2 4.03Å; W96-Y100 HydrophobicContact CZ3-CG 4.31Å; W96-I105 HydrophobicContact CH2-CD1 4.03Å; W96-I105 HydrophobicContact CZ3-CD1 3.83Å; W96-I105 HydrophobicContact CZ3-CG1 4.07Å
97S98Very high96.6Very high36 Ų3645.5 Ų45.525%0.25224%0.237SC..  trans-128.3134.9173178.50000109.2R95 T99 Y100R95-S97 PolarHBondContact O-N 3.47Å; S97-T99 PolarHBondContact O-N 3.39Å; S97-T99 PolarHBondContact OG-N 2.9Å; S97-T99 PolarHBondContact OG-OG1 3.38Å; S97-Y100 VanDerWaalsContact N-CD2 3.33Å; S97-Y100 WeakPolarHBondContact O-CB 3.41Å; S97-Y100 WeakPolarHBondContact O-CD2 3.4Å; S97-Y100 PolarHBondContact O-N 3.31Å
98P97.6Very high96.6Very high57 Ų5746.6 Ų46.637%0.3725%0.246SC..THydrogen-bonded Turntrans-60.9-9175.1-23.434000114.8R8 P64R8-P98 PolarHBondContact NH1-O 2.8Å; P64-P98 HydrophobicContact CB-CB 4.21Å; P64-P98 HydrophobicContact CG-CB 4.13Å; P64-P98 VanDerWaalsContact O-CA 3.28Å; P64-P98 WeakPolarHBondContact O-CA 3.38Å; P64-P98 WeakPolarHBondContact O-CB 3.5Å
99T97.6Very high96.8Very high109 Ų10945.2 Ų45.267%0.66924%0.237SC*.THydrogen-bonded Turntrans-75.1-23.7172.761.50000113S97S97-T99 PolarHBondContact O-N 3.39Å; S97-T99 PolarHBondContact OG-N 2.9Å; S97-T99 PolarHBondContact OG-OG1 3.38Å
100Y98.1Very high96.9Very high69 Ų6945.7 Ų45.727%0.27124%0.238SC..  trans-67.8138.2174.6-62.2-47.5000111R8 Y63 I91 R95 W96 S97 S104R8-Y100 PolarHBondContact NH2-O 3.34Å; Y63-Y100 PolarHBondContact OH-O 3.04Å; I91-Y100 HydrophobicContact CB-CD2 4.48Å; I91-Y100 HydrophobicContact CB-CE2 3.97Å; I91-Y100 HydrophobicContact CG2-CE2 4.08Å; R95-Y100 WeakPolarHBondContact O-CE2 3.22Å; W96-Y100 HydrophobicContact CD2-CD2 4.42Å; W96-Y100 AromaticContact CE3-CD2 3.83Å; W96-Y100 HydrophobicContact CE3-CD2 3.83Å; W96-Y100 HydrophobicContact CZ3-CD2 4.03Å; W96-Y100 HydrophobicContact CZ3-CG 4.31Å; S97-Y100 VanDerWaalsContact N-CD2 3.33Å; S97-Y100 WeakPolarHBondContact O-CB 3.41Å; S97-Y100 WeakPolarHBondContact O-CD2 3.4Å; S97-Y100 PolarHBondContact O-N 3.31Å; Y100-S104 WeakPolarHBondContact CA-OG 3.35Å; Y100-S104 WeakPolarHBondContact CB-OG 3.14Å
101D97.6Very high97.1Very high7 Ų745.7 Ų45.74%0.03724%0.243CC..  trans-117.6177.5172.86016.5000111.3D12 R15 S103 S104 I105D12-D101 HydrophobicContact CB-CB 4.39Å; D12-D101 WeakPolarHBondContact OD2-CA 3.29Å; D12-D101 VanDerWaalsContact OD2-CB 3.25Å; D12-D101 WeakPolarHBondContact OD2-CB 3.39Å; R15-D101 WeakPolarHBondContact CD-OD2 3.31Å; R15-D101 IonicContact CZ-OD2 3.93Å; R15-D101 VanDerWaalsContact CZ-OD2 3.28Å; R15-D101 IonicContact NE-OD2 3.45Å; R15-D101 PolarHBondContact NE-OD2 3.1Å; R15-D101 IonicContact NH1-OD2 3.28Å; R15-D101 PolarHBondContact NH1-OD2 2.95Å; D101-S103 VanDerWaalsContact C-N 3.28Å; D101-S103 PolarHBondContact O-N 3.46Å; D101-S103 PolarHBondContact OD1-N 2.86Å; D101-S104 PolarHBondContact N-OG 3.34Å; D101-S104 PolarHBondContact O-N 3.27Å; D101-S104 PolarHBondContact O-OG 3.31Å; D101-S104 WeakPolarHBondContact OD1-CB 3.3Å; D101-S104 PolarHBondContact OD1-N 3.36Å; D101-S104 PolarHBondContact OD1-OG 2.72Å; D101-I105 WeakPolarHBondContact O-CG1 3.33Å; D101-I105 PolarHBondContact O-N 3.23Å
102V98.2Very high97.1Very high0 Ų045.9 Ų45.90%024%0.244CC..Hα-helixtrans-55.6-41.2179.4-176.60000112.4D12 L16 W36 I57 F59 I105 L106D12-V102 HydrophobicContact CB-CB 4.46Å; D12-V102 HydrophobicContact CB-CG2 3.96Å; L16-V102 HydrophobicContact CD2-CG1 4.19Å; W36-V102 HydrophobicContact CE3-CG1 3.94Å; W36-V102 HydrophobicContact CE3-CG2 4.42Å; W36-V102 HydrophobicContact CH2-CB 4.37Å; W36-V102 HydrophobicContact CH2-CG1 4.44Å; W36-V102 HydrophobicContact CH2-CG2 3.9Å; W36-V102 HydrophobicContact CZ2-CG2 4.31Å; W36-V102 HydrophobicContact CZ3-CB 4.13Å; W36-V102 HydrophobicContact CZ3-CG1 3.73Å; W36-V102 HydrophobicContact CZ3-CG2 4.01Å; I57-V102 HydrophobicContact CD1-CG1 4.12Å; F59-V102 HydrophobicContact CE1-CG2 4.3Å; F59-V102 HydrophobicContact CZ-CG2 3.79Å; V102-I105 PolarHBondContact O-N 3.02Å; V102-L106 HydrophobicContact CG1-CD1 4.04Å; V102-L106 HydrophobicContact CG1-CG 4.32Å; V102-L106 WeakPolarHBondContact O-CG 3.49Å; V102-L106 PolarHBondContact O-N 3.02Å
103S97.4Very high97.2Very high9 Ų945.1 Ų45.16%0.06324%0.24CC..Hα-helixtrans-59.3-50.8177.2-59.80000111.4L16 D101 I105 L106 T107L16-S103 WeakPolarHBondContact CD1-OG 3.47Å; D101-S103 VanDerWaalsContact C-N 3.28Å; D101-S103 PolarHBondContact O-N 3.46Å; D101-S103 PolarHBondContact OD1-N 2.86Å; S103-I105 VanDerWaalsContact C-N 3.31Å; S103-I105 PolarHBondContact O-N 2.95Å; S103-L106 PolarHBondContact O-N 2.85Å; S103-T107 PolarHBondContact O-N 3.21Å; S103-T107 PolarHBondContact O-OG1 3.37Å; S103-T107 VanDerWaalsContact O-OG1 3.06Å
104S97.3Very high97.3Very high31 Ų3144.4 Ų44.422%0.21724%0.239CC..Hα-helixtrans-63.6-34.1179.864.80000113.5Y100 D101 S108Y100-S104 WeakPolarHBondContact CA-OG 3.35Å; Y100-S104 WeakPolarHBondContact CB-OG 3.14Å; D101-S104 PolarHBondContact N-OG 3.34Å; D101-S104 PolarHBondContact O-N 3.27Å; D101-S104 PolarHBondContact O-OG 3.31Å; D101-S104 WeakPolarHBondContact OD1-CB 3.3Å; D101-S104 PolarHBondContact OD1-N 3.36Å; D101-S104 PolarHBondContact OD1-OG 2.72Å; S104-S108 VanDerWaalsContact O-CB 3.3Å; S104-S108 WeakPolarHBondContact O-CB 3.29Å; S104-S108 PolarHBondContact O-N 2.94Å; S104-S108 PolarHBondContact O-OG 3.43Å
105I98.3Very high97.4Very high0 Ų045.2 Ų45.20%024%0.239CC..Hα-helixtrans-63.7-52.1174.2-68.4164.9000110.2P68 V70 L92 W96 D101 V102 S103 T107 S108 I109P68-I105 HydrophobicContact CG-CD1 3.72Å; V70-I105 HydrophobicContact CG2-CG2 4.11Å; L92-I105 HydrophobicContact CD2-CG1 4.43Å; L92-I105 HydrophobicContact CD2-CG2 4.08Å; W96-I105 HydrophobicContact CH2-CD1 4.03Å; W96-I105 HydrophobicContact CZ3-CD1 3.83Å; W96-I105 HydrophobicContact CZ3-CG1 4.07Å; D101-I105 WeakPolarHBondContact O-CG1 3.33Å; D101-I105 PolarHBondContact O-N 3.23Å; V102-I105 PolarHBondContact O-N 3.02Å; S103-I105 VanDerWaalsContact C-N 3.31Å; S103-I105 PolarHBondContact O-N 2.95Å; I105-T107 PolarHBondContact O-N 3.23Å; I105-S108 PolarHBondContact O-N 2.85Å; I105-I109 HydrophobicContact CG2-CD1 3.86Å; I105-I109 WeakPolarHBondContact O-CG1 3.35Å; I105-I109 PolarHBondContact O-N 2.84Å
106L98.4Very high97.3Very high0 Ų038.1 Ų38.10%021%0.214CC..Hα-helixtrans-63.4-43.2-178-69.1177.6000111.8L16 V24 A38 I40 I57 V102 S103 S108 I109 Q110L16-L106 HydrophobicContact CD2-CD1 4.43Å; V24-L106 HydrophobicContact CB-CB 3.97Å; V24-L106 HydrophobicContact CB-CD1 4.38Å; V24-L106 HydrophobicContact CG1-CB 4.15Å; V24-L106 HydrophobicContact CG2-CB 3.94Å; V24-L106 HydrophobicContact CG2-CD1 4.32Å; A38-L106 HydrophobicContact CB-CD1 4.15Å; A38-L106 HydrophobicContact CB-CD2 3.65Å; I40-L106 HydrophobicContact CD1-CD2 4.27Å; I40-L106 HydrophobicContact CG1-CD2 4.38Å; I57-L106 HydrophobicContact CD1-CD2 4.12Å; V102-L106 HydrophobicContact CG1-CD1 4.04Å; V102-L106 HydrophobicContact CG1-CG 4.32Å; V102-L106 WeakPolarHBondContact O-CG 3.49Å; V102-L106 PolarHBondContact O-N 3.02Å; S103-L106 PolarHBondContact O-N 2.85Å; L106-S108 VanDerWaalsContact C-N 3.32Å; L106-S108 PolarHBondContact O-N 3.35Å; L106-I109 PolarHBondContact O-N 3.01Å; L106-Q110 WeakPolarHBondContact O-CB 3.45Å; L106-Q110 PolarHBondContact O-N 2.83Å
107T97.8Very high97Very high48 Ų4840.1 Ų40.129%0.29423%0.227SC..Hα-helixtrans-61.2-41.3175.2-58.80000111.5P21 S103 I105 I109 Q110 S111P21-T107 WeakPolarHBondContact CB-OG1 3.24Å; S103-T107 PolarHBondContact O-N 3.21Å; S103-T107 PolarHBondContact O-OG1 3.37Å; S103-T107 VanDerWaalsContact O-OG1 3.06Å; I105-T107 PolarHBondContact O-N 3.23Å; T107-I109 VanDerWaalsContact C-N 3.35Å; T107-I109 PolarHBondContact O-N 3.49Å; T107-Q110 WeakPolarHBondContact O-CB 3.25Å; T107-Q110 PolarHBondContact O-N 3.04Å; T107-S111 PolarHBondContact O-N 2.99Å; T107-S111 PolarHBondContact O-OG 2.8Å; T107-S111 VanDerWaalsContact O-OG 3.14Å
108S97.9Very high96.6Very high37 Ų3739.5 Ų39.526%0.25922%0.223SC..Hα-helixtrans-67.5-35.1179.1-60.60000112.6I91 S104 I105 L106 L112I91-S108 VanDerWaalsContact CD1-CB 3.46Å; I91-S108 WeakPolarHBondContact CD1-OG 3.36Å; S104-S108 VanDerWaalsContact O-CB 3.3Å; S104-S108 WeakPolarHBondContact O-CB 3.29Å; S104-S108 PolarHBondContact O-N 2.94Å; S104-S108 PolarHBondContact O-OG 3.43Å; I105-S108 PolarHBondContact O-N 2.85Å; L106-S108 VanDerWaalsContact C-N 3.32Å; L106-S108 PolarHBondContact O-N 3.35Å; S108-L112 PolarHBondContact O-N 2.9Å; S108-L112 VanDerWaalsContact O-N 3.08Å
109I98.3Very high96.2Very high1 Ų143 Ų431%0.00524%0.238CC..Hα-helixtrans-69.3-38.9173.2-63.8164.7000110.6I40 L55 V70 F72 I87 L89 I105 L106 T107 L112 L113I40-I109 HydrophobicContact CD1-CB 3.66Å; I40-I109 HydrophobicContact CD1-CG2 3.4Å; I40-I109 VanDerWaalsContact CD1-CG2 3.4Å; L55-I109 HydrophobicContact CD2-CD1 4.16Å; L55-I109 HydrophobicContact CD2-CG2 4.16Å; V70-I109 HydrophobicContact CB-CD1 4.4Å; V70-I109 HydrophobicContact CG1-CD1 3.67Å; F72-I109 HydrophobicContact CE2-CG2 4.03Å; F72-I109 HydrophobicContact CZ-CG2 3.66Å; I87-I109 HydrophobicContact CD1-CD1 3.77Å; I87-I109 HydrophobicContact CD1-CG1 4.04Å; I87-I109 HydrophobicContact CD1-CG2 3.93Å; L89-I109 HydrophobicContact CD2-CG1 3.93Å; I105-I109 HydrophobicContact CG2-CD1 3.86Å; I105-I109 WeakPolarHBondContact O-CG1 3.35Å; I105-I109 PolarHBondContact O-N 2.84Å; L106-I109 PolarHBondContact O-N 3.01Å; T107-I109 VanDerWaalsContact C-N 3.35Å; T107-I109 PolarHBondContact O-N 3.49Å; I109-L112 WeakPolarHBondContact O-CB 3.46Å; I109-L112 PolarHBondContact O-N 3.14Å; I109-L113 PolarHBondContact O-N 2.98Å
110Q97.9Very high95.7Very high31 Ų3141.6 Ų41.615%0.14523%0.233CC..Hα-helixtrans-62.9-45.8174.8-176.6-174.74900111.3V22 G23 V24 I40 F41 P43 L106 T107 L112 L113 D114V22-Q110 PolarHBondContact O-NE2 3.14Å; V22-Q110 PolarHBondContact O-OE1 3.04Å; G23-Q110 PolarHBondContact O-NE2 3.24Å; V24-Q110 HydrophobicContact CG1-CB 4.08Å; V24-Q110 HydrophobicContact CG1-CG 4.47Å; I40-Q110 HydrophobicContact CG2-CB 3.87Å; I40-Q110 HydrophobicContact CG2-CG 3.98Å; F41-Q110 PolarHBondContact O-NE2 3.05Å; P43-Q110 HydrophobicContact CG-CG 3.85Å; L106-Q110 WeakPolarHBondContact O-CB 3.45Å; L106-Q110 PolarHBondContact O-N 2.83Å; T107-Q110 WeakPolarHBondContact O-CB 3.25Å; T107-Q110 PolarHBondContact O-N 3.04Å; Q110-L112 PolarHBondContact O-N 2.87Å; Q110-L113 WeakPolarHBondContact O-CB 3.4Å; Q110-L113 PolarHBondContact O-N 2.98Å; Q110-D114 PolarHBondContact O-N 3.37Å
111S97.1Very high95.5Very high61 Ų6140.6 Ų40.643%0.42724%0.235SC..Hα-helixtrans-60.1-32174.3-60.90000112.5T107 L113 D114 E115T107-S111 PolarHBondContact O-N 2.99Å; T107-S111 PolarHBondContact O-OG 2.8Å; T107-S111 VanDerWaalsContact O-OG 3.14Å; S111-L113 VanDerWaalsContact C-N 3.26Å; S111-L113 PolarHBondContact O-N 2.64Å; S111-D114 PolarHBondContact O-N 2.64Å; S111-E115 PolarHBondContact O-N 2.99Å
112L96.7Very high95.4Very high18 Ų1841.1 Ų41.19%0.09424%0.24CC..Hα-helixtrans-64.9-29.6175.3-173.664.2000112.7H78 N80 I87 L89 S108 I109 Q110 D114 E115H78-L112 PolarHBondContact CE1-O 2.87Å; H78-L112 PolarHBondContact NE2-O 2.78Å; N80-L112 HydrophobicContact CB-CD1 4.07Å; N80-L112 HydrophobicContact CB-CD2 3.88Å; N80-L112 HydrophobicContact CB-CG 4.23Å; I87-L112 HydrophobicContact CG2-CD2 3.74Å; L89-L112 HydrophobicContact CB-CD2 4.39Å; L89-L112 HydrophobicContact CD1-CD2 4.34Å; S108-L112 PolarHBondContact O-N 2.9Å; S108-L112 VanDerWaalsContact O-N 3.08Å; I109-L112 WeakPolarHBondContact O-CB 3.46Å; I109-L112 PolarHBondContact O-N 3.14Å; Q110-L112 PolarHBondContact O-N 2.87Å; L112-D114 VanDerWaalsContact C-N 3.34Å; L112-E115 CarbonylContact O-C 3.57Å
113L97Very high95.4Very high4 Ų442.7 Ų42.72%0.02125%0.248CC..Hα-helixtrans-70.9-32174.7-60.8-179.8000112.3I40 P43 F48 F53 F72 M76 I109 Q110 S111I40-L113 HydrophobicContact CG2-CD1 3.93Å; P43-L113 HydrophobicContact CG-CB 4.23Å; F48-L113 HydrophobicContact CD1-CD2 4.43Å; F48-L113 HydrophobicContact CD2-CB 4.06Å; F48-L113 HydrophobicContact CD2-CD2 4.48Å; F48-L113 WeakPolarHBondContact CD2-O 3.44Å; F48-L113 HydrophobicContact CE1-CD2 4.33Å; F48-L113 HydrophobicContact CE2-CD2 4.39Å; F48-L113 HydrophobicContact CG-CB 4.39Å; F48-L113 HydrophobicContact CZ-CD2 4.34Å; F53-L113 HydrophobicContact CD2-CD1 4.13Å; F53-L113 HydrophobicContact CE2-CD1 4.4Å; F72-L113 HydrophobicContact CZ-CD2 4.45Å; M76-L113 HydrophobicContact CE-CD2 3.78Å; I109-L113 PolarHBondContact O-N 2.98Å; Q110-L113 WeakPolarHBondContact O-CB 3.4Å; Q110-L113 PolarHBondContact O-N 2.98Å; S111-L113 VanDerWaalsContact C-N 3.26Å; S111-L113 PolarHBondContact O-N 2.64Å
114D95.8Very high95.4Very high86 Ų8646.4 Ų46.446%0.4627%0.274SS..Hα-helixtrans-77.6-44.5176.9-172.721.8000111.7P43 T46 Q110 S111 L112 P116P43-D114 HydrophobicContact CB-CB 4.41Å; P43-D114 HydrophobicContact CG-CB 4.25Å; T46-D114 HydrophobicContact CG2-CB 4.02Å; T46-D114 VanDerWaalsContact CG2-OD1 3.24Å; T46-D114 WeakPolarHBondContact CG2-OD1 3.35Å; Q110-D114 PolarHBondContact O-N 3.37Å; S111-D114 PolarHBondContact O-N 2.64Å; L112-D114 VanDerWaalsContact C-N 3.34Å; D114-P116 VanDerWaalsContact C-CD 3.47Å; D114-P116 WeakPolarHBondContact O-CD 3.38Å
115E94.6Very high95.4Very high150 Ų15049.6 Ų49.670%0.70129%0.286SS*.SBendtrans-118.577.8-178.7-61.6-174.817200112.2S111 L112S111-E115 PolarHBondContact O-N 2.99Å; L112-E115 CarbonylContact O-C 3.57Å
116P93.7Very high95.4Very high14 Ų1449.6 Ų49.69%0.09129%0.286CS..  trans-61143.2175.4-20.329.1000112.4H78 P79 D114 P118 Y130H78-P116 WeakPolarHBondContact NE2-CG 3.44Å; P79-P116 HydrophobicContact CB-CB 4.33Å; P79-P116 HydrophobicContact CG-CB 3.83Å; D114-P116 VanDerWaalsContact C-CD 3.47Å; D114-P116 WeakPolarHBondContact O-CD 3.38Å; P116-P118 WeakPolarHBondContact O-CD 3.44Å; P116-Y130 HydrophobicContact CB-CE1 4.3Å; P116-Y130 HydrophobicContact CG-CE2 4.05Å
117N92.1Very high95.4Very high74 Ų7449.8 Ų49.840%0.39629%0.287SS..  trans-10496.9173-179.41.1000111.2N80 N119N80-N117 PolarHBondContact ND2-O 3.16Å; N80-N117 PolarHBondContact OD1-N 3.03Å; N80-N117 PolarHBondContact OD1-O 3.5Å; N117-N119 VanDerWaalsContact C-N 3.29Å; N117-N119 PolarHBondContact O-N 3.28Å; N117-N119 WeakPolarHBondContact OD1-CB 3.46Å; N117-N119 PolarHBondContact OD1-N 3.02Å; N117-N119 VanDerWaalsContact OD1-N 3.14Å
118P90.2Very high95.4Very high24 Ų2452.3 Ų52.316%0.15630%0.295CS..THydrogen-bonded Turntrans-79.5-6.4-176.934.7-38.6000114P116 S120 A127 Y130 Q131P116-P118 WeakPolarHBondContact O-CD 3.44Å; P118-S120 VanDerWaalsContact C-N 3.31Å; P118-S120 PolarHBondContact O-N 3.35Å; P118-A127 HydrophobicContact CB-CB 4.23Å; P118-Y130 HydrophobicContact CB-CD1 4.25Å; P118-Y130 HydrophobicContact CG-CD1 4.26Å; P118-Y130 HydrophobicContact CG-CE1 4.38Å; P118-Q131 HydrophobicContact CB-CG 3.96Å; P118-Q131 HydrophobicContact CG-CG 4.17Å
119N88.8Confident95.4Very high131 Ų13151.7 Ų51.770%0.70129%0.289SS*.THydrogen-bonded Turntrans-75.9-18-175.9-62.5-43.8000113.6N117N117-N119 VanDerWaalsContact C-N 3.29Å; N117-N119 PolarHBondContact O-N 3.28Å; N117-N119 WeakPolarHBondContact OD1-CB 3.46Å; N117-N119 PolarHBondContact OD1-N 3.02Å; N117-N119 VanDerWaalsContact OD1-N 3.14Å
120S87Confident95.3Very high79 Ų7955.1 Ų55.155%0.55230%0.303SS*.SBendtrans-143.171.9177.2-650000109.4P118P118-S120 VanDerWaalsContact C-N 3.31Å; P118-S120 PolarHBondContact O-N 3.35Å
121P93.6Very high95.3Very high48 Ų4859.1 Ų59.131%0.31232%0.321SS..  trans-80.8136.6-167.533.5-35.2000112.1P79 A127P79-P121 CarbonylContact O-C 3.56Å; P79-P121 WeakPolarHBondContact O-CA 3.25Å; P121-A127 HydrophobicContact CB-CB 3.43Å; P121-A127 VanDerWaalsContact CB-CB 3.43Å; P121-A127 HydrophobicContact CG-CB 3.95Å
122A96.3Very high95.3Very high17 Ų1763 Ų6314%0.1433%0.332CS..SBendtrans-75.5-30.9163.900000111.4P79 Y82 C88P79-A122 PolarHBondContact O-N 3.37Å; Y82-A122 HydrophobicContact CD1-CB 3.7Å; Y82-A122 HydrophobicContact CD2-CB 3.68Å; Y82-A122 HydrophobicContact CE1-CB 3.64Å; Y82-A122 HydrophobicContact CE2-CB 3.63Å; Y82-A122 HydrophobicContact CG-CB 3.72Å; C88-A122 HydrophobicContact CB-CB 3.99Å
123N97.8Very high95.3Very high34 Ų3465.6 Ų65.618%0.18235%0.347CS..SBendtrans-122.395.3175.5-176.8-21.7000109.6H78 P79 V81 Q125 A126 A127H78-N123 WeakPolarHBondContact O-CB 3.36Å; P79-N123 PolarHBondContact O-N 2.86Å; V81-N123 WeakPolarHBondContact O-CB 3.25Å; N123-Q125 PolarHBondContact O-N 3.31Å; N123-Q125 PolarHBondContact OD1-N 3.37Å; N123-A126 HydrophobicContact CB-CB 4Å; N123-A126 PolarHBondContact O-N 2.81Å; N123-A126 PolarHBondContact OD1-N 3.42Å; N123-A127 PolarHBondContact O-N 3.15Å
124S97.3Very high95.3Very high87 Ų8771.1 Ų71.161%0.60837%0.37SS*.Hα-helixtrans-60.2-32.4-177.9-49.70000112.9Q128S124-Q128 WeakPolarHBondContact O-CB 3.27Å; S124-Q128 PolarHBondContact O-N 2.95Å
125Q97.6Very high95.4Very high98 Ų9876.7 Ų76.746%0.45839%0.385SS..Hα-helixtrans-69.4-45178.3-173.3179.840.700111.4F77 N123 A127 Q128 L129 R140F77-Q125 HydrophobicContact CE2-CG 4.47Å; F77-Q125 HydrophobicContact CZ-CG 4.29Å; N123-Q125 PolarHBondContact O-N 3.31Å; N123-Q125 PolarHBondContact OD1-N 3.37Å; Q125-A127 VanDerWaalsContact C-N 3.32Å; Q125-A127 PolarHBondContact O-N 2.78Å; Q125-Q128 PolarHBondContact O-N 3.04Å; Q125-L129 HydrophobicContact CG-CD1 4.48Å; Q125-L129 WeakPolarHBondContact O-CG 3.32Å; Q125-L129 PolarHBondContact O-N 3.47Å; Q125-R140 VanDerWaalsContact OE1-NH1 3.15Å
126A97.8Very high95.6Very high0 Ų072.1 Ų72.10%036%0.364CS..Hα-helixtrans-62.2-42.317600000111F77 P79 N123 L129 Y130 Y137F77-A126 HydrophobicContact CD1-CB 4.15Å; F77-A126 HydrophobicContact CD2-CB 4.39Å; F77-A126 HydrophobicContact CE1-CB 3.82Å; F77-A126 HydrophobicContact CE2-CB 4.07Å; F77-A126 HydrophobicContact CG-CB 4.41Å; F77-A126 HydrophobicContact CZ-CB 3.76Å; P79-A126 HydrophobicContact CG-CB 4.32Å; N123-A126 HydrophobicContact CB-CB 4Å; N123-A126 PolarHBondContact O-N 2.81Å; N123-A126 PolarHBondContact OD1-N 3.42Å; A126-L129 PolarHBondContact O-N 2.76Å; A126-Y130 VanDerWaalsContact O-CB 3.24Å; A126-Y130 WeakPolarHBondContact O-CB 3.35Å; A126-Y130 PolarHBondContact O-N 3.3Å; A126-Y137 HydrophobicContact CB-CE2 4.41Å
127A97.8Very high95.8Very high3 Ų371.5 Ų71.53%0.02536%0.36CS..Hα-helixtrans-63.5-45177.500000113P79 P118 P121 N123 Q125 Y130 Q131P79-A127 HydrophobicContact CB-CB 4.04Å; P118-A127 HydrophobicContact CB-CB 4.23Å; P121-A127 HydrophobicContact CB-CB 3.43Å; P121-A127 VanDerWaalsContact CB-CB 3.43Å; P121-A127 HydrophobicContact CG-CB 3.95Å; N123-A127 PolarHBondContact O-N 3.15Å; Q125-A127 VanDerWaalsContact C-N 3.32Å; Q125-A127 PolarHBondContact O-N 2.78Å; A127-Y130 PolarHBondContact O-N 2.89Å; A127-Q131 WeakPolarHBondContact O-CG 3.28Å; A127-Q131 PolarHBondContact O-N 2.98Å
128Q97.8Very high96.1Very high101 Ų10171.3 Ų71.347%0.47236%0.356SS..Hα-helixtrans-61-48.6176.8-174.4-176.16.100111.1S124 Q125 Y130 Q131 E132S124-Q128 WeakPolarHBondContact O-CB 3.27Å; S124-Q128 PolarHBondContact O-N 2.95Å; Q125-Q128 PolarHBondContact O-N 3.04Å; Q128-Y130 VanDerWaalsContact C-N 3.32Å; Q128-Y130 PolarHBondContact O-N 3.35Å; Q128-Q131 PolarHBondContact O-N 3.1Å; Q128-E132 HydrophobicContact CG-CG 4.32Å; Q128-E132 VanDerWaalsContact CG-OE2 3.25Å; Q128-E132 WeakPolarHBondContact CG-OE2 3.43Å; Q128-E132 PolarHBondContact NE2-OE2 3.02Å; Q128-E132 WeakPolarHBondContact O-CB 3.5Å; Q128-E132 PolarHBondContact O-N 3.5Å
129L98.1Very high96.4Very high25 Ų2577 Ų7713%0.13138%0.378CS..Hα-helixtrans-64.1-38.5178.2-67.6179.6000111.8F77 Q125 A126 Q131 N133 K134 E136F77-L129 HydrophobicContact CE1-CD1 4.12Å; F77-L129 HydrophobicContact CZ-CD1 3.89Å; Q125-L129 HydrophobicContact CG-CD1 4.48Å; Q125-L129 WeakPolarHBondContact O-CG 3.32Å; Q125-L129 PolarHBondContact O-N 3.47Å; A126-L129 PolarHBondContact O-N 2.76Å; L129-Q131 VanDerWaalsContact C-N 3.27Å; L129-Q131 PolarHBondContact O-N 3Å; L129-N133 HydrophobicContact CD2-CB 4.17Å; L129-N133 CarbonylContact O-C 3.58Å; L129-N133 WeakPolarHBondContact O-CA 3.32Å; L129-N133 PolarHBondContact O-N 3.27Å; L129-K134 PolarHBondContact O-N 3.43Å; L129-E136 HydrophobicContact CD1-CG 4.05Å; L129-E136 HydrophobicContact CD2-CB 4.33Å; L129-E136 HydrophobicContact CD2-CG 4.08Å
130Y97.2Very high96.9Very high73 Ų7374.6 Ų74.629%0.28636%0.36SS..Hα-helixtrans-59.1-38.8176-178.5-107.7000112.3P79 P116 P118 A126 A127 Q128 Y137P79-Y130 HydrophobicContact CG-CG 4.48Å; P116-Y130 HydrophobicContact CB-CE1 4.3Å; P116-Y130 HydrophobicContact CG-CE2 4.05Å; P118-Y130 HydrophobicContact CB-CD1 4.25Å; P118-Y130 HydrophobicContact CG-CD1 4.26Å; P118-Y130 HydrophobicContact CG-CE1 4.38Å; A126-Y130 VanDerWaalsContact O-CB 3.24Å; A126-Y130 WeakPolarHBondContact O-CB 3.35Å; A126-Y130 PolarHBondContact O-N 3.3Å; A127-Y130 PolarHBondContact O-N 2.89Å; Q128-Y130 VanDerWaalsContact C-N 3.32Å; Q128-Y130 PolarHBondContact O-N 3.35Å; Y130-Y137 AromaticContact CD2-CD1 3.9Å; Y130-Y137 HydrophobicContact CD2-CD1 3.9Å; Y130-Y137 AromaticContact CD2-CE1 3.67Å; Y130-Y137 HydrophobicContact CD2-CE1 3.67Å; Y130-Y137 HydrophobicContact CD2-CE2 4.39Å; Y130-Y137 HydrophobicContact CD2-CG 4.35Å; Y130-Y137 AromaticContact CD2-CZ 3.94Å; Y130-Y137 HydrophobicContact CE2-CE1 4.3Å
131Q96.4Very high97.4Very high114 Ų11470.9 Ų70.953%0.53333%0.334SS..Hα-helixtrans-82.7-41.4-179.9-70.1178.8-31.400113.8P118 A127 Q128 L129P118-Q131 HydrophobicContact CB-CG 3.96Å; P118-Q131 HydrophobicContact CG-CG 4.17Å; A127-Q131 WeakPolarHBondContact O-CG 3.28Å; A127-Q131 PolarHBondContact O-N 2.98Å; Q128-Q131 PolarHBondContact O-N 3.1Å; L129-Q131 VanDerWaalsContact C-N 3.27Å; L129-Q131 PolarHBondContact O-N 3Å
132E97.3Very high97.6Very high142 Ų14271.2 Ų71.266%0.66434%0.337SS*.Hα-helixtrans-105.4-25.1-167.2-60.8179.3173.800113.5Q128Q128-E132 HydrophobicContact CG-CG 4.32Å; Q128-E132 VanDerWaalsContact CG-OE2 3.25Å; Q128-E132 WeakPolarHBondContact CG-OE2 3.43Å; Q128-E132 PolarHBondContact NE2-OE2 3.02Å; Q128-E132 WeakPolarHBondContact O-CB 3.5Å; Q128-E132 PolarHBondContact O-N 3.5Å
133N97.5Very high97.7Very high74 Ų7473 Ų7340%0.39635%0.352SS..  trans-149.970.5-174.6-170.2-11.3000112L129 R135 E136 Y137L129-N133 HydrophobicContact CD2-CB 4.17Å; L129-N133 CarbonylContact O-C 3.58Å; L129-N133 WeakPolarHBondContact O-CA 3.32Å; L129-N133 PolarHBondContact O-N 3.27Å; N133-R135 PolarHBondContact O-N 2.75Å; N133-R135 VanDerWaalsContact O-N 3.13Å; N133-E136 HydrophobicContact CB-CB 4.38Å; N133-E136 PolarHBondContact O-N 2.79Å; N133-E136 PolarHBondContact OD1-N 3.31Å; N133-Y137 PolarHBondContact O-N 2.79Å
134K96.2Very high97.6Very high119 Ų11972.3 Ų72.352%0.51735%0.348SS..Hα-helixtrans-54.1-35.8-176.8-163.6177.9-175.1-173.40113L129 E136 Y137 E138L129-K134 PolarHBondContact O-N 3.43Å; K134-E136 PolarHBondContact O-N 2.84Å; K134-Y137 WeakPolarHBondContact O-CB 3.47Å; K134-Y137 PolarHBondContact O-N 2.89Å; K134-E138 WeakPolarHBondContact CE-OE1 3.35Å; K134-E138 HydrophobicContact CG-CG 4.36Å; K134-E138 WeakPolarHBondContact CG-OE1 3.16Å; K134-E138 IonicContact NZ-OE1 3.23Å; K134-E138 WeakPolarHBondContact O-CB 3.32Å; K134-E138 VanDerWaalsContact O-CG 3.29Å; K134-E138 WeakPolarHBondContact O-CG 3.15Å; K134-E138 PolarHBondContact O-N 2.85Å
135R98Very high97.7Very high204 Ų20468.7 Ų68.777%0.7732%0.322SS*.Hα-helixtrans-62.8-44.5178.3-166.7-177.487.8155.24.5112.7N133 K139N133-R135 PolarHBondContact O-N 2.75Å; N133-R135 VanDerWaalsContact O-N 3.13Å; R135-K139 WeakPolarHBondContact O-CB 3.47Å; R135-K139 PolarHBondContact O-N 3.43Å
136E98.3Very high97.6Very high53 Ų5369.4 Ų69.425%0.24833%0.325CS..Hα-helixtrans-73-34177.7-179.460.8-160.900111.4L129 N133 K134 R140L129-E136 HydrophobicContact CD1-CG 4.05Å; L129-E136 HydrophobicContact CD2-CB 4.33Å; L129-E136 HydrophobicContact CD2-CG 4.08Å; N133-E136 HydrophobicContact CB-CB 4.38Å; N133-E136 PolarHBondContact O-N 2.79Å; N133-E136 PolarHBondContact OD1-N 3.31Å; K134-E136 PolarHBondContact O-N 2.84Å; E136-R140 WeakPolarHBondContact O-CG 3.45Å; E136-R140 PolarHBondContact O-N 3.44Å; E136-R140 VanDerWaalsContact O-N 3.13Å; E136-R140 IonicContact OE1-NE 3.42Å; E136-R140 PolarHBondContact OE1-NE 2.94Å; E136-R140 IonicContact OE1-NH2 3.31Å
137Y98.3Very high97.6Very high1 Ų172 Ų720%0.00434%0.337CS..Hα-helixtrans-57.2-55.6170.2173.3-99.7000111.1P47 F48 F77 P79 A126 Y130 N133 K134 K139 R140 V141P47-Y137 HydrophobicContact CG-CE1 4.2Å; F48-Y137 WeakPolarHBondContact CE2-OH 3.41Å; F77-Y137 HydrophobicContact CD1-CD2 4.23Å; F77-Y137 HydrophobicContact CD1-CE2 4.28Å; F77-Y137 AromaticContact CE1-CD2 3.93Å; F77-Y137 HydrophobicContact CE1-CD2 3.93Å; F77-Y137 HydrophobicContact CE1-CE2 4.34Å; P79-Y137 HydrophobicContact CG-CE2 4.49Å; A126-Y137 HydrophobicContact CB-CE2 4.41Å; Y130-Y137 AromaticContact CD2-CD1 3.9Å; Y130-Y137 HydrophobicContact CD2-CD1 3.9Å; Y130-Y137 AromaticContact CD2-CE1 3.67Å; Y130-Y137 HydrophobicContact CD2-CE1 3.67Å; Y130-Y137 HydrophobicContact CD2-CE2 4.39Å; Y130-Y137 HydrophobicContact CD2-CG 4.35Å; Y130-Y137 AromaticContact CD2-CZ 3.94Å; Y130-Y137 HydrophobicContact CE2-CE1 4.3Å; N133-Y137 PolarHBondContact O-N 2.79Å; K134-Y137 WeakPolarHBondContact O-CB 3.47Å; K134-Y137 PolarHBondContact O-N 2.89Å; Y137-K139 VanDerWaalsContact C-N 3.33Å; Y137-K139 PolarHBondContact O-N 3.04Å; Y137-R140 WeakPolarHBondContact O-CB 3.34Å; Y137-R140 PolarHBondContact O-N 3.31Å; Y137-V141 HydrophobicContact CD1-CG2 4.22Å; Y137-V141 HydrophobicContact CD2-CG2 4.32Å; Y137-V141 HydrophobicContact CE1-CG2 3.79Å; Y137-V141 HydrophobicContact CE2-CG2 3.88Å; Y137-V141 HydrophobicContact CG-CG2 4.47Å; Y137-V141 WeakPolarHBondContact O-CG2 3.27Å; Y137-V141 PolarHBondContact O-N 3.34Å
138E98.1Very high97.5Very high71 Ų7172.1 Ų72.133%0.33234%0.338SS..Hα-helixtrans-56.5-46179.7-74.8171.3-178.400111.4P47 K134 R140 V141 S142P47-E138 HydrophobicContact CB-CG 4.08Å; P47-E138 HydrophobicContact CG-CG 3.74Å; K134-E138 WeakPolarHBondContact CE-OE1 3.35Å; K134-E138 HydrophobicContact CG-CG 4.36Å; K134-E138 WeakPolarHBondContact CG-OE1 3.16Å; K134-E138 IonicContact NZ-OE1 3.23Å; K134-E138 WeakPolarHBondContact O-CB 3.32Å; K134-E138 VanDerWaalsContact O-CG 3.29Å; K134-E138 WeakPolarHBondContact O-CG 3.15Å; K134-E138 PolarHBondContact O-N 2.85Å; E138-R140 VanDerWaalsContact C-N 3.28Å; E138-R140 PolarHBondContact O-N 2.93Å; E138-V141 PolarHBondContact O-N 3.43Å; E138-V141 VanDerWaalsContact O-N 3.1Å; E138-S142 PolarHBondContact O-N 3.45Å; E138-S142 PolarHBondContact O-OG 3.23Å; E138-S142 VanDerWaalsContact O-OG 3.06Å
139K98.3Very high97.3Very high142 Ų14274.2 Ų74.262%0.61734%0.342SS*.Hα-helixtrans-56.2-40.6176.3-176.3-175.5174.6-168.90112.8R135 Y137 A143R135-K139 WeakPolarHBondContact O-CB 3.47Å; R135-K139 PolarHBondContact O-N 3.43Å; Y137-K139 VanDerWaalsContact C-N 3.33Å; Y137-K139 PolarHBondContact O-N 3.04Å; K139-A143 PolarHBondContact O-N 2.78Å
140R98.2Very high96.9Very high82 Ų8278.9 Ų78.931%0.30937%0.367SS..Hα-helixtrans-71.7-38.4177.5-72.1-178.6179-147.33.4112F77 Q125 E136 Y137 E138 A143 I144F77-R140 HydrophobicContact CD1-CB 3.65Å; F77-R140 HydrophobicContact CE1-CB 3.81Å; F77-R140 HydrophobicContact CE1-CG 4.37Å; F77-R140 HydrophobicContact CG-CB 4.23Å; Q125-R140 VanDerWaalsContact OE1-NH1 3.15Å; E136-R140 WeakPolarHBondContact O-CG 3.45Å; E136-R140 PolarHBondContact O-N 3.44Å; E136-R140 VanDerWaalsContact O-N 3.13Å; E136-R140 IonicContact OE1-NE 3.42Å; E136-R140 PolarHBondContact OE1-NE 2.94Å; E136-R140 IonicContact OE1-NH2 3.31Å; Y137-R140 WeakPolarHBondContact O-CB 3.34Å; Y137-R140 PolarHBondContact O-N 3.31Å; E138-R140 VanDerWaalsContact C-N 3.28Å; E138-R140 PolarHBondContact O-N 2.93Å; R140-A143 PolarHBondContact O-N 3.46Å; R140-I144 WeakPolarHBondContact O-CG1 3.27Å; R140-I144 PolarHBondContact O-N 3.5Å
141V98.3Very high95.6Very high0 Ų078 Ų780%037%0.367CS..Hα-helixtrans-65.8-41.6175.9-179.20000110.9P47 F48 F77 Y137 E138 A143 I144 V145P47-V141 HydrophobicContact CB-CB 3.98Å; P47-V141 HydrophobicContact CB-CG1 3.87Å; P47-V141 HydrophobicContact CB-CG2 4.45Å; P47-V141 VanDerWaalsContact O-CG1 3.26Å; P47-V141 WeakPolarHBondContact O-CG1 3.3Å; F48-V141 HydrophobicContact CD1-CG1 3.45Å; F48-V141 VanDerWaalsContact CD1-CG1 3.45Å; F48-V141 HydrophobicContact CD2-CG1 4.13Å; F48-V141 HydrophobicContact CE1-CG1 3.41Å; F48-V141 VanDerWaalsContact CE1-CG1 3.41Å; F48-V141 HydrophobicContact CE1-CG2 4.34Å; F48-V141 HydrophobicContact CE2-CG1 4.09Å; F48-V141 HydrophobicContact CG-CG1 3.8Å; F48-V141 HydrophobicContact CZ-CG1 3.72Å; F48-V141 HydrophobicContact CZ-CG2 4Å; F77-V141 HydrophobicContact CD1-CG2 4.29Å; Y137-V141 HydrophobicContact CD1-CG2 4.22Å; Y137-V141 HydrophobicContact CD2-CG2 4.32Å; Y137-V141 HydrophobicContact CE1-CG2 3.79Å; Y137-V141 HydrophobicContact CE2-CG2 3.88Å; Y137-V141 HydrophobicContact CG-CG2 4.47Å; Y137-V141 WeakPolarHBondContact O-CG2 3.27Å; Y137-V141 PolarHBondContact O-N 3.34Å; E138-V141 PolarHBondContact O-N 3.43Å; E138-V141 VanDerWaalsContact O-N 3.1Å; V141-A143 VanDerWaalsContact C-N 3.27Å; V141-A143 PolarHBondContact O-N 3.4Å; V141-I144 CarbonylContact O-C 3.58Å; V141-I144 WeakPolarHBondContact O-CA 3.12Å; V141-I144 VanDerWaalsContact O-CB 3.31Å; V141-I144 WeakPolarHBondContact O-CB 3.42Å; V141-I144 PolarHBondContact O-N 2.9Å; V141-V145 HydrophobicContact CG1-CG2 4.44Å; V141-V145 PolarHBondContact O-N 3.47Å
142S97.4Very high93.5Very high55 Ų5580.4 Ų80.439%0.38540%0.396SS..Hα-helixtrans-58.1-39176.1-56.60000112.5E138 I144 V145 E146E138-S142 PolarHBondContact O-N 3.45Å; E138-S142 PolarHBondContact O-OG 3.23Å; E138-S142 VanDerWaalsContact O-OG 3.06Å; S142-I144 VanDerWaalsContact C-N 3.26Å; S142-I144 PolarHBondContact O-N 3.17Å; S142-V145 WeakPolarHBondContact O-CB 3.43Å; S142-V145 PolarHBondContact O-N 2.91Å; S142-E146 WeakPolarHBondContact O-CG 3.35Å; S142-E146 PolarHBondContact O-N 3.31Å
143A97.5Very high93.3Very high54 Ų5477.3 Ų77.345%0.44638%0.383SS..Hα-helixtrans-63.8-32.9174.300000112.6K139 R140 V141 Q147K139-A143 PolarHBondContact O-N 2.78Å; R140-A143 PolarHBondContact O-N 3.46Å; V141-A143 VanDerWaalsContact C-N 3.27Å; V141-A143 PolarHBondContact O-N 3.4Å; A143-Q147 WeakPolarHBondContact O-CB 3.4Å; A143-Q147 PolarHBondContact O-N 3.36Å
144I97.4Very high93Very high21 Ų2177.5 Ų77.511%0.10838%0.382CS..Hα-helixtrans-72-40.3174.5-65.5-59.7000111.5F53 K75 F77 R140 V141 S142 Q147 S148F53-I144 HydrophobicContact CE1-CG2 3.96Å; K75-I144 HydrophobicContact CB-CD1 4.15Å; K75-I144 WeakPolarHBondContact O-CG2 3.37Å; F77-I144 HydrophobicContact CB-CD1 4.49Å; F77-I144 HydrophobicContact CB-CG1 3.77Å; R140-I144 WeakPolarHBondContact O-CG1 3.27Å; R140-I144 PolarHBondContact O-N 3.5Å; V141-I144 CarbonylContact O-C 3.58Å; V141-I144 WeakPolarHBondContact O-CA 3.12Å; V141-I144 VanDerWaalsContact O-CB 3.31Å; V141-I144 WeakPolarHBondContact O-CB 3.42Å; V141-I144 PolarHBondContact O-N 2.9Å; S142-I144 VanDerWaalsContact C-N 3.26Å; S142-I144 PolarHBondContact O-N 3.17Å; I144-Q147 PolarHBondContact O-N 3.11Å; I144-S148 PolarHBondContact O-N 2.57Å
145V97.9Very high92.9Very high10 Ų1075.2 Ų75.26%0.06138%0.375CS..Hα-helixtrans-56.7-52.7172.91670000110.2E49 F53 V141 S142 Q147 S148 W149E49-V145 WeakPolarHBondContact O-CG1 3.38Å; F53-V145 HydrophobicContact CZ-CG2 4.07Å; V141-V145 HydrophobicContact CG1-CG2 4.44Å; V141-V145 PolarHBondContact O-N 3.47Å; S142-V145 WeakPolarHBondContact O-CB 3.43Å; S142-V145 PolarHBondContact O-N 2.91Å; V145-Q147 VanDerWaalsContact C-N 3.28Å; V145-Q147 PolarHBondContact O-N 3.06Å; V145-S148 WeakPolarHBondContact O-CB 2.85Å; V145-S148 PolarHBondContact O-N 3.09Å; V145-S148 VanDerWaalsContact O-N 3.07Å; V145-S148 PolarHBondContact O-OG 3.08Å; V145-W149 HydrophobicContact CG1-CH2 4.44Å; V145-W149 HydrophobicContact CG1-CZ2 3.67Å
146E96.9Very high92.6Very high113 Ų11367.6 Ų67.653%0.52835%0.352SS..Hα-helixtrans-59.7-38.7177.8-71.3176.5-170.900112.4S142 S148 W149 N150S142-E146 WeakPolarHBondContact O-CG 3.35Å; S142-E146 PolarHBondContact O-N 3.31Å; E146-S148 VanDerWaalsContact C-N 3.31Å; E146-S148 PolarHBondContact O-N 2.94Å; E146-W149 HydrophobicContact CB-CE3 4.44Å; E146-W149 HydrophobicContact CB-CZ3 4.39Å; E146-W149 HydrophobicContact CG-CE3 4.49Å; E146-W149 HydrophobicContact CG-CH2 4.29Å; E146-W149 HydrophobicContact CG-CZ3 3.95Å; E146-W149 PolarHBondContact O-N 2.79Å; E146-N150 PolarHBondContact O-ND2 3.28Å
147Q96.3Very high92.2Very high54 Ų5468.5 Ų68.525%0.25236%0.358SS..Hα-helixtrans-65.1-37.6177.4-163.2-168.2-32.800111.6A143 I144 V145 W149 N150 D151A143-Q147 WeakPolarHBondContact O-CB 3.4Å; A143-Q147 PolarHBondContact O-N 3.36Å; I144-Q147 PolarHBondContact O-N 3.11Å; V145-Q147 VanDerWaalsContact C-N 3.28Å; V145-Q147 PolarHBondContact O-N 3.06Å; Q147-W149 PolarHBondContact O-N 3.49Å; Q147-W149 VanDerWaalsContact O-N 3.12Å; Q147-N150 PolarHBondContact O-N 3.12Å; Q147-D151 PolarHBondContact O-N 2.78Å
148S96.3Very high91.8Very high6 Ų673 Ų734%0.04238%0.382CS..Hα-helixtrans-59.6-26.2-177.881.30000113.5T52 I144 V145 E146 N150T52-S148 PolarHBondContact N-OG 3.23Å; T52-S148 WeakPolarHBondContact O-CB 3.49Å; I144-S148 PolarHBondContact O-N 2.57Å; V145-S148 WeakPolarHBondContact O-CB 2.85Å; V145-S148 PolarHBondContact O-N 3.09Å; V145-S148 VanDerWaalsContact O-N 3.07Å; V145-S148 PolarHBondContact O-OG 3.08Å; E146-S148 VanDerWaalsContact C-N 3.31Å; E146-S148 PolarHBondContact O-N 2.94Å; S148-N150 VanDerWaalsContact C-N 3.33Å
149W93.9Very high91.3Very high145 Ų14573.1 Ų73.155%0.54939%0.385SS..THydrogen-bonded Turntrans-73.8-24.1177.1-54-26.3000113.6D50 V145 E146 Q147D50-W149 HydrophobicContact CB-CZ2 4.25Å; D50-W149 PolarHBondContact O-NE1 2.76Å; V145-W149 HydrophobicContact CG1-CH2 4.44Å; V145-W149 HydrophobicContact CG1-CZ2 3.67Å; E146-W149 HydrophobicContact CB-CE3 4.44Å; E146-W149 HydrophobicContact CB-CZ3 4.39Å; E146-W149 HydrophobicContact CG-CE3 4.49Å; E146-W149 HydrophobicContact CG-CH2 4.29Å; E146-W149 HydrophobicContact CG-CZ3 3.95Å; E146-W149 PolarHBondContact O-N 2.79Å; Q147-W149 PolarHBondContact O-N 3.49Å; Q147-W149 VanDerWaalsContact O-N 3.12Å
150N88.4Confident90.8Very high123 Ų12367.8 Ų67.866%0.65837%0.367SS*.THydrogen-bonded Turntrans-96.3-16.4-175.1-65.4-64.9000112.9E146 Q147 S148 S152E146-N150 PolarHBondContact O-ND2 3.28Å; Q147-N150 PolarHBondContact O-N 3.12Å; S148-N150 VanDerWaalsContact C-N 3.33Å; N150-S152 VanDerWaalsContact C-N 3.27Å; N150-S152 PolarHBondContact O-N 3.32Å
151D71.5Confident90.2Very high56 Ų5666.7 Ų66.730%0.29937%0.372SS..  trans-7283.8175.6-69.1-17.5000108.3K54 Q147K54-D151 WeakPolarHBondContact CE-O 3.15Å; K54-D151 PolarHBondContact NZ-O 2.86Å; Q147-D151 PolarHBondContact O-N 2.78Å
152S50.5Low89.5Confident163 Ų16372.7 Ų72.7100%1.1441%0.406SS*.  trans-83.20175.8-60.40000111.6K54 N150K54-S152 PolarHBondContact NZ-OXT 2.92Å; N150-S152 VanDerWaalsContact C-N 3.27Å; N150-S152 PolarHBondContact O-N 3.32Å

Retrieved 152 of 152 residues in 30.9 ms (Link to these results)

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