A0A096NNQ0_PAPAN Loading...

Tyrosine-protein phosphatase non-receptor type

AlphaFold DB (A0A096NNP9), UniProt , Accession A0A096NNQ0, Species PAPAN (Papio anubis, Olive baboon), Gene PTPN1, Length 435 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
1M69.9Low92.6Very high48 Ų4873.4 Ų73.424%0.23634%0.343CS..  0157.40-63.8173.1-73.500109.9M3 E4 K5 M235 P241 I275 A278 M282M1-M3 VanDerWaalsContact C-N 3.32Å; M1-M3 HydrophobicContact CB-CG 3.98Å; M1-M3 PolarHBondContact O-N 2.88Å; M1-M3 HydrophobicContact SD-SD 4.45Å; M1-E4 HydrophobicContact CB-CG 4.27Å; M1-E4 VanDerWaalsContact CE-CD 3.46Å; M1-E4 HydrophobicContact CE-CG 3.87Å; M1-E4 WeakPolarHBondContact CE-OE1 3.3Å; M1-E4 PolarHBondContact N-OE2 2.9Å; M1-E4 PolarHBondContact O-N 3.3Å; M1-K5 PolarHBondContact O-N 3.47Å; M1-M235 HydrophobicContact SD-CE 4.23Å; M1-P241 HydrophobicContact CG-CB 3.85Å; M1-P241 HydrophobicContact SD-CB 3.48Å; M1-P241 WeakPolarHBondContact SD-CB 2.96Å; M1-P241 HydrophobicContact SD-CG 4.21Å; M1-I275 HydrophobicContact CE-CG2 4.19Å; M1-A278 HydrophobicContact CE-CB 3.74Å; M1-A278 HydrophobicContact SD-CB 3.64Å; M1-M282 HydrophobicContact CE-CE 4.41Å; M1-M282 HydrophobicContact SD-CE 4.12Å; M1-M282 HydrophobicContact SD-SD 4.25Å
2E85.4Confident93Very high133 Ų13383.7 Ų83.762%0.62139%0.386SS*.Hα-helixtrans-60.1-43.5178-167.9-162.4-18000111.3E4 K5 E6E2-E4 VanDerWaalsContact C-N 3.26Å; E2-E4 PolarHBondContact O-N 3.42Å; E2-K5 WeakPolarHBondContact O-CB 3.31Å; E2-K5 PolarHBondContact O-N 3.3Å; E2-E6 PolarHBondContact O-N 2.89Å
3M92Very high93.3Very high6 Ų683 Ų833%0.0340%0.396CS..Hα-helixtrans-59.3-30177.471.3-177.5-48.500114.5M1 F7 I246 V274 I275M1-M3 VanDerWaalsContact C-N 3.32Å; M1-M3 HydrophobicContact CB-CG 3.98Å; M1-M3 PolarHBondContact O-N 2.88Å; M1-M3 HydrophobicContact SD-SD 4.45Å; M3-F7 VanDerWaalsContact O-CB 3.29Å; M3-F7 WeakPolarHBondContact O-CB 3.34Å; M3-F7 PolarHBondContact O-N 3.44Å; M3-I246 HydrophobicContact CE-CD1 3.21Å; M3-I246 HydrophobicContact CE-CG1 3.91Å; M3-V274 HydrophobicContact CE-CB 3.87Å; M3-V274 HydrophobicContact CE-CG1 3.52Å; M3-V274 HydrophobicContact SD-CG1 4.14Å; M3-I275 HydrophobicContact CE-CG1 3.77Å; M3-I275 HydrophobicContact CG-CG1 3.91Å; M3-I275 HydrophobicContact SD-CG1 3.94Å
4E93.8Very high93.6Very high73 Ų7381.4 Ų81.434%0.34141%0.412SS..Hα-helixtrans-70-40.3174.8-73.7170.715600110.5M1 E2 F7 E8 I275M1-E4 HydrophobicContact CB-CG 4.27Å; M1-E4 VanDerWaalsContact CE-CD 3.46Å; M1-E4 HydrophobicContact CE-CG 3.87Å; M1-E4 WeakPolarHBondContact CE-OE1 3.3Å; M1-E4 PolarHBondContact N-OE2 2.9Å; M1-E4 PolarHBondContact O-N 3.3Å; E2-E4 VanDerWaalsContact C-N 3.26Å; E2-E4 PolarHBondContact O-N 3.42Å; E4-F7 WeakPolarHBondContact O-CB 3.46Å; E4-F7 PolarHBondContact O-N 3.29Å; E4-E8 WeakPolarHBondContact O-CG 3.48Å; E4-E8 PolarHBondContact O-N 2.93Å; E4-I275 HydrophobicContact CG-CB 4.43Å; E4-I275 HydrophobicContact CG-CD1 4Å; E4-I275 HydrophobicContact CG-CG1 3.93Å; E4-I275 HydrophobicContact CG-CG2 3.64Å
5K94.8Very high93.8Very high160 Ų16078.2 Ų78.270%0.69640%0.401SS*.Hα-helixtrans-64.6-43.3175.6-64.6179.9179.1177.40110.8M1 E2 Q9M1-K5 PolarHBondContact O-N 3.47Å; E2-K5 WeakPolarHBondContact O-CB 3.31Å; E2-K5 PolarHBondContact O-N 3.3Å; K5-Q9 WeakPolarHBondContact O-CB 3.34Å; K5-Q9 PolarHBondContact O-N 3.45Å
6E95.6Very high94.1Very high47 Ų4774.3 Ų74.322%0.2238%0.379CS..Hα-helixtrans-58.6-48.9173.5-176.9-176-157.500110.7E2 E8 Q9 I10 K247 Y271E2-E6 PolarHBondContact O-N 2.89Å; E6-E8 PolarHBondContact O-N 3.45Å; E6-Q9 PolarHBondContact O-N 3.48Å; E6-I10 HydrophobicContact CG-CD1 3.68Å; E6-I10 HydrophobicContact CG-CG1 4.35Å; E6-I10 VanDerWaalsContact O-CG1 3.27Å; E6-I10 WeakPolarHBondContact O-CG1 3.43Å; E6-I10 PolarHBondContact O-N 2.76Å; E6-K247 WeakPolarHBondContact OE1-CE 3.48Å; E6-K247 IonicContact OE1-NZ 3.56Å; E6-K247 PolarHBondContact OE1-NZ 3.12Å; E6-Y271 VanDerWaalsContact CD-OH 3.28Å; E6-Y271 HydrophobicContact CG-CE1 4.49Å; E6-Y271 PolarHBondContact OE1-OH 3.49Å; E6-Y271 WeakPolarHBondContact OE2-CE1 3.3Å; E6-Y271 PolarHBondContact OE2-OH 2.94Å
7F97.4Very high94.4Very high10 Ų1073.5 Ų73.54%0.04439%0.387CS..Hα-helixtrans-55.1-54.1178.2177.7-89.8000111.8M3 E4 Q9 I10 D11 W16 R268 Y271 L272 I275M3-F7 VanDerWaalsContact O-CB 3.29Å; M3-F7 WeakPolarHBondContact O-CB 3.34Å; M3-F7 PolarHBondContact O-N 3.44Å; E4-F7 WeakPolarHBondContact O-CB 3.46Å; E4-F7 PolarHBondContact O-N 3.29Å; F7-Q9 VanDerWaalsContact C-N 3.28Å; F7-Q9 PolarHBondContact O-N 3.16Å; F7-I10 PolarHBondContact O-N 2.99Å; F7-I10 VanDerWaalsContact O-N 3.17Å; F7-D11 HydrophobicContact CE1-CB 4.38Å; F7-D11 WeakPolarHBondContact O-CB 3.48Å; F7-D11 PolarHBondContact O-N 3.5Å; F7-W16 AromaticContact CD2-CH2 3.6Å; F7-W16 HydrophobicContact CD2-CH2 3.6Å; F7-W16 AromaticContact CD2-CZ2 3.41Å; F7-W16 HydrophobicContact CD2-CZ2 3.41Å; F7-W16 VanDerWaalsContact CD2-CZ2 3.41Å; F7-W16 AromaticContact CE2-CH2 3.98Å; F7-W16 HydrophobicContact CE2-CH2 3.98Å; F7-W16 AromaticContact CE2-CZ2 3.5Å; F7-W16 HydrophobicContact CE2-CZ2 3.5Å; F7-W16 HydrophobicContact CG-CZ2 4.22Å; F7-W16 HydrophobicContact CZ-CZ2 4.36Å; F7-R268 HydrophobicContact CE2-CG 3.83Å; F7-R268 HydrophobicContact CZ-CG 4.34Å; F7-Y271 HydrophobicContact CB-CD1 4.25Å; F7-Y271 HydrophobicContact CD2-CD1 4.36Å; F7-Y271 HydrophobicContact CD2-CG 4.24Å; F7-L272 HydrophobicContact CE1-CD2 3.97Å; F7-L272 HydrophobicContact CE2-CD2 3.78Å; F7-L272 HydrophobicContact CE2-CG 3.75Å; F7-L272 HydrophobicContact CZ-CD1 4.38Å; F7-L272 HydrophobicContact CZ-CD2 3.39Å; F7-L272 HydrophobicContact CZ-CG 3.77Å; F7-I275 HydrophobicContact CB-CD1 3.83Å; F7-I275 HydrophobicContact CD2-CD1 4.3Å; F7-I275 HydrophobicContact CG-CD1 4Å
8E97.4Very high94.6Very high119 Ų11972.3 Ų72.356%0.55639%0.389SS*.Hα-helixtrans-61.4-37-179.3-70.2-61.1156.800112.1E4 E6 K12E4-E8 WeakPolarHBondContact O-CG 3.48Å; E4-E8 PolarHBondContact O-N 2.93Å; E6-E8 PolarHBondContact O-N 3.45Å; E8-K12 WeakPolarHBondContact O-CB 2.97Å; E8-K12 PolarHBondContact O-N 2.95Å
9Q97.6Very high94.7Very high145 Ų14570.3 Ų70.368%0.67838%0.378SS*.Hα-helixtrans-65.1-44.8175.5179.8179.2-21.500111.8K5 E6 F7 S13K5-Q9 WeakPolarHBondContact O-CB 3.34Å; K5-Q9 PolarHBondContact O-N 3.45Å; E6-Q9 PolarHBondContact O-N 3.48Å; F7-Q9 VanDerWaalsContact C-N 3.28Å; F7-Q9 PolarHBondContact O-N 3.16Å; Q9-S13 WeakPolarHBondContact O-CB 3.44Å; Q9-S13 PolarHBondContact O-N 3.34Å; Q9-S13 VanDerWaalsContact O-N 3.1Å; Q9-S13 PolarHBondContact O-OG 2.99Å
10I97.6Very high94.9Very high8 Ų867.4 Ų67.44%0.04136%0.361CS..Hα-helixtrans-66.6-42.4178.2-62.7167.6000110.2E6 F7 S13 G14 S15 W16 I19E6-I10 HydrophobicContact CG-CD1 3.68Å; E6-I10 HydrophobicContact CG-CG1 4.35Å; E6-I10 VanDerWaalsContact O-CG1 3.27Å; E6-I10 WeakPolarHBondContact O-CG1 3.43Å; E6-I10 PolarHBondContact O-N 2.76Å; F7-I10 PolarHBondContact O-N 2.99Å; F7-I10 VanDerWaalsContact O-N 3.17Å; I10-S13 WeakPolarHBondContact CA-OG 3.4Å; I10-S13 PolarHBondContact O-N 2.91Å; I10-S13 PolarHBondContact O-OG 3.4Å; I10-S13 VanDerWaalsContact O-OG 3.07Å; I10-G14 PolarHBondContact O-N 3.3Å; I10-S15 PolarHBondContact O-N 3.4Å; I10-S15 VanDerWaalsContact O-N 3.13Å; I10-W16 HydrophobicContact CB-CD2 4.43Å; I10-W16 HydrophobicContact CB-CH2 4.31Å; I10-W16 HydrophobicContact CB-CZ2 4Å; I10-W16 HydrophobicContact CD1-CH2 4.2Å; I10-W16 HydrophobicContact CD1-CZ3 4.22Å; I10-W16 HydrophobicContact CG2-CB 4.4Å; I10-W16 HydrophobicContact CG2-CD2 3.37Å; I10-W16 VanDerWaalsContact CG2-CE2 3.44Å; I10-W16 HydrophobicContact CG2-CE3 3.74Å; I10-W16 HydrophobicContact CG2-CG 3.71Å; I10-W16 HydrophobicContact CG2-CH2 4.14Å; I10-W16 HydrophobicContact CG2-CZ2 3.83Å; I10-W16 HydrophobicContact CG2-CZ3 4.1Å; I10-I19 HydrophobicContact CD1-CG1 4.18Å; I10-I19 HydrophobicContact CG1-CG1 4.32Å; I10-I19 HydrophobicContact CG2-CG1 4.24Å
11D96.7Very high95.1Very high58 Ų5867.5 Ų67.531%0.3136%0.36SS..Hα-helixtrans-67.3-44.8-178.8-138.337.7000111.4F7 S13 G14 W16 R268F7-D11 HydrophobicContact CE1-CB 4.38Å; F7-D11 WeakPolarHBondContact O-CB 3.48Å; F7-D11 PolarHBondContact O-N 3.5Å; D11-S13 VanDerWaalsContact C-N 3.29Å; D11-S13 PolarHBondContact O-N 2.96Å; D11-G14 PolarHBondContact O-N 3.5Å; D11-G14 VanDerWaalsContact O-N 3.16Å; D11-W16 PolarHBondContact OD1-NE1 3.08Å; D11-R268 IonicContact OD1-CZ 3.5Å; D11-R268 IonicContact OD1-NE 3.1Å; D11-R268 PolarHBondContact OD1-NE 2.77Å; D11-R268 IonicContact OD1-NH2 3.35Å; D11-R268 PolarHBondContact OD1-NH2 3.21Å; D11-R268 IonicContact OD2-CZ 3.68Å; D11-R268 IonicContact OD2-NE 3.44Å; D11-R268 IonicContact OD2-NH2 2.77Å; D11-R268 PolarHBondContact OD2-NH2 3.44Å
12K97.5Very high96.4Very high197 Ų19769 Ų6986%0.85737%0.368SS*.Hα-helixtrans-63.7-34.1176.5-174.3175.8-179178.50112.9E8E8-K12 WeakPolarHBondContact O-CB 2.97Å; E8-K12 PolarHBondContact O-N 2.95Å
13S97.3Very high97Very high75 Ų7562.9 Ų62.952%0.52434%0.34SS..Hα-helixtrans-85.5-10.5177.359.30000113.7Q9 I10 D11 S15Q9-S13 WeakPolarHBondContact O-CB 3.44Å; Q9-S13 PolarHBondContact O-N 3.34Å; Q9-S13 VanDerWaalsContact O-N 3.1Å; Q9-S13 PolarHBondContact O-OG 2.99Å; I10-S13 WeakPolarHBondContact CA-OG 3.4Å; I10-S13 PolarHBondContact O-N 2.91Å; I10-S13 PolarHBondContact O-OG 3.4Å; I10-S13 VanDerWaalsContact O-OG 3.07Å; D11-S13 VanDerWaalsContact C-N 3.29Å; D11-S13 PolarHBondContact O-N 2.96Å; S13-S15 PolarHBondContact O-N 2.99Å; S13-S15 PolarHBondContact OG-OG 3.31Å
14G97.1Very high97.3Very high60 Ų6069.1 Ų69.162%0.61936%0.363SS*.THydrogen-bonded Turntrans63.727-176.200000113.7I10 D11I10-G14 PolarHBondContact O-N 3.3Å; D11-G14 PolarHBondContact O-N 3.5Å; D11-G14 VanDerWaalsContact O-N 3.16Å
15S97.8Very high97.5Very high34 Ų3472.8 Ų72.824%0.23838%0.38CS..  trans-94.98.6-167.257.50000115.1I10 S13 A17 A18 I19I10-S15 PolarHBondContact O-N 3.4Å; I10-S15 VanDerWaalsContact O-N 3.13Å; S13-S15 PolarHBondContact O-N 2.99Å; S13-S15 PolarHBondContact OG-OG 3.31Å; S15-A17 PolarHBondContact O-N 3.42Å; S15-A17 VanDerWaalsContact O-N 3.13Å; S15-A18 WeakPolarHBondContact O-CB 3.37Å; S15-A18 PolarHBondContact O-N 2.93Å; S15-I19 PolarHBondContact O-N 2.84Å; S15-I19 VanDerWaalsContact O-N 3.09Å
16W98.2Very high97.6Very high16 Ų1671.3 Ų71.36%0.06138%0.376CS..Hα-helixtrans-50.9-39.6-179.7-73.7110.4000114.4F7 I10 D11 Y20 A264 L267 R268 Y271F7-W16 AromaticContact CD2-CH2 3.6Å; F7-W16 HydrophobicContact CD2-CH2 3.6Å; F7-W16 AromaticContact CD2-CZ2 3.41Å; F7-W16 HydrophobicContact CD2-CZ2 3.41Å; F7-W16 VanDerWaalsContact CD2-CZ2 3.41Å; F7-W16 AromaticContact CE2-CH2 3.98Å; F7-W16 HydrophobicContact CE2-CH2 3.98Å; F7-W16 AromaticContact CE2-CZ2 3.5Å; F7-W16 HydrophobicContact CE2-CZ2 3.5Å; F7-W16 HydrophobicContact CG-CZ2 4.22Å; F7-W16 HydrophobicContact CZ-CZ2 4.36Å; I10-W16 HydrophobicContact CB-CD2 4.43Å; I10-W16 HydrophobicContact CB-CH2 4.31Å; I10-W16 HydrophobicContact CB-CZ2 4Å; I10-W16 HydrophobicContact CD1-CH2 4.2Å; I10-W16 HydrophobicContact CD1-CZ3 4.22Å; I10-W16 HydrophobicContact CG2-CB 4.4Å; I10-W16 HydrophobicContact CG2-CD2 3.37Å; I10-W16 VanDerWaalsContact CG2-CE2 3.44Å; I10-W16 HydrophobicContact CG2-CE3 3.74Å; I10-W16 HydrophobicContact CG2-CG 3.71Å; I10-W16 HydrophobicContact CG2-CH2 4.14Å; I10-W16 HydrophobicContact CG2-CZ2 3.83Å; I10-W16 HydrophobicContact CG2-CZ3 4.1Å; D11-W16 PolarHBondContact OD1-NE1 3.08Å; W16-Y20 VanDerWaalsContact O-CB 3.28Å; W16-Y20 WeakPolarHBondContact O-CB 3.19Å; W16-Y20 PolarHBondContact O-N 3.31Å; W16-A264 HydrophobicContact CB-CB 4.18Å; W16-L267 HydrophobicContact CZ3-CG 4.33Å; W16-R268 HydrophobicContact CD2-CB 3.71Å; W16-R268 HydrophobicContact CD2-CG 3.96Å; W16-R268 HydrophobicContact CE3-CB 3.87Å; W16-R268 HydrophobicContact CE3-CG 4.47Å; W16-R268 HydrophobicContact CG-CB 4.28Å; W16-R268 HydrophobicContact CG-CG 4.49Å; W16-R268 HydrophobicContact CH2-CB 4.26Å; W16-R268 HydrophobicContact CH2-CG 4.25Å; W16-R268 HydrophobicContact CZ2-CB 4.11Å; W16-R268 HydrophobicContact CZ2-CG 3.69Å; W16-R268 HydrophobicContact CZ3-CB 4.14Å; W16-Y271 HydrophobicContact CH2-CD1 4.46Å; W16-Y271 AromaticContact CH2-CD2 3.98Å; W16-Y271 HydrophobicContact CH2-CD2 3.98Å; W16-Y271 HydrophobicContact CH2-CE2 4.44Å; W16-Y271 AromaticContact CH2-CG 3.99Å; W16-Y271 HydrophobicContact CH2-CG 3.99Å; W16-Y271 AromaticContact CZ3-CD2 3.92Å; W16-Y271 HydrophobicContact CZ3-CD2 3.92Å; W16-Y271 HydrophobicContact CZ3-CE2 4.16Å; W16-Y271 HydrophobicContact CZ3-CG 4.4Å
17A98.1Very high97.7Very high61 Ų6170.5 Ų70.550%0.50438%0.377SS..Hα-helixtrans-64.1-42.6178.400000111.9S15 Q21S15-A17 PolarHBondContact O-N 3.42Å; S15-A17 VanDerWaalsContact O-N 3.13Å; A17-Q21 WeakPolarHBondContact O-CG 3.41Å; A17-Q21 PolarHBondContact O-N 3.05Å
18A98.1Very high97.5Very high52 Ų5272.1 Ų72.143%0.4339%0.389SS..Hα-helixtrans-65.9-50.5178.600000110.8S15 Y20 Q21 D22S15-A18 WeakPolarHBondContact O-CB 3.37Å; S15-A18 PolarHBondContact O-N 2.93Å; A18-Y20 VanDerWaalsContact C-N 3.28Å; A18-Y20 PolarHBondContact O-N 2.95Å; A18-Q21 CarbonylContact O-C 3.54Å; A18-Q21 WeakPolarHBondContact O-CA 3.45Å; A18-Q21 WeakPolarHBondContact O-CB 3.26Å; A18-Q21 PolarHBondContact O-N 3.44Å; A18-D22 PolarHBondContact O-N 2.98Å
19I98.1Very high97.5Very high33 Ų3373.3 Ų73.317%0.16940%0.4CS..Hα-helixtrans-56.4-43.3177.2-59.4-60000111.4I10 S15 D22 I23 K247 L267I10-I19 HydrophobicContact CD1-CG1 4.18Å; I10-I19 HydrophobicContact CG1-CG1 4.32Å; I10-I19 HydrophobicContact CG2-CG1 4.24Å; S15-I19 PolarHBondContact O-N 2.84Å; S15-I19 VanDerWaalsContact O-N 3.09Å; I19-D22 PolarHBondContact O-N 2.73Å; I19-I23 HydrophobicContact CG2-CD1 4.41Å; I19-I23 WeakPolarHBondContact O-CG1 3.45Å; I19-I23 PolarHBondContact O-N 3.02Å; I19-K247 HydrophobicContact CG2-CD 3.98Å; I19-L267 HydrophobicContact CG2-CD2 4.16Å
20Y98.3Very high97.5Very high13 Ų1369.9 Ų69.95%0.05138%0.383CS..Hα-helixtrans-65.5-37.9176.3178.5-110.5000112.6W16 A18 R24 I261 Q262 A264 L267W16-Y20 VanDerWaalsContact O-CB 3.28Å; W16-Y20 WeakPolarHBondContact O-CB 3.19Å; W16-Y20 PolarHBondContact O-N 3.31Å; A18-Y20 VanDerWaalsContact C-N 3.28Å; A18-Y20 PolarHBondContact O-N 2.95Å; Y20-R24 HydrophobicContact CE1-CG 4.2Å; Y20-R24 HydrophobicContact CE2-CG 4.5Å; Y20-R24 WeakPolarHBondContact O-CG 3.32Å; Y20-R24 PolarHBondContact O-N 2.96Å; Y20-I261 HydrophobicContact CD2-CG2 4.48Å; Y20-I261 HydrophobicContact CE2-CG2 3.98Å; Y20-I261 WeakPolarHBondContact CE2-O 3.49Å; Y20-I261 PolarHBondContact OH-O 3.25Å; Y20-Q262 VanDerWaalsContact OH-CA 3.24Å; Y20-Q262 WeakPolarHBondContact OH-CA 3.32Å; Y20-Q262 PolarHBondContact OH-O 2.85Å; Y20-A264 HydrophobicContact CD1-CB 4.42Å; Y20-A264 HydrophobicContact CG-CB 4.27Å; Y20-L267 HydrophobicContact CD2-CB 4.39Å; Y20-L267 HydrophobicContact CD2-CD2 4.31Å
21Q98Very high97.6Very high70 Ų7072.8 Ų72.833%0.32740%0.402SS..Hα-helixtrans-64.7-41.4173.6-70.5-45.5-45.700111.5A17 A18 I23 R24 H25A17-Q21 WeakPolarHBondContact O-CG 3.41Å; A17-Q21 PolarHBondContact O-N 3.05Å; A18-Q21 CarbonylContact O-C 3.54Å; A18-Q21 WeakPolarHBondContact O-CA 3.45Å; A18-Q21 WeakPolarHBondContact O-CB 3.26Å; A18-Q21 PolarHBondContact O-N 3.44Å; Q21-I23 VanDerWaalsContact C-N 3.32Å; Q21-I23 PolarHBondContact O-N 2.93Å; Q21-R24 WeakPolarHBondContact O-CA 3.43Å; Q21-R24 WeakPolarHBondContact O-CB 3.39Å; Q21-R24 PolarHBondContact O-N 3.18Å; Q21-H25 PolarHBondContact O-N 3.17Å; Q21-H25 PolarHBondContact O-ND1 3.39Å
22D98.1Very high97.7Very high79 Ų7970.8 Ų70.842%0.42239%0.392SS..Hα-helixtrans-58.5-45.5179.1-63.3-21.1000110.8A18 I19 R24 H25 E26A18-D22 PolarHBondContact O-N 2.98Å; I19-D22 PolarHBondContact O-N 2.73Å; D22-R24 PolarHBondContact O-N 3Å; D22-H25 PolarHBondContact O-N 3.49Å; D22-E26 WeakPolarHBondContact O-CG 3.49Å; D22-E26 PolarHBondContact O-N 3.28Å
23I98.3Very high97.7Very high5 Ų570.5 Ų70.53%0.02639%0.386CS..Hα-helixtrans-60.8-31.2174.2-62.7168.5000112.2I19 Q21 A27 K247 L250 L251 R254 L267I19-I23 HydrophobicContact CG2-CD1 4.41Å; I19-I23 WeakPolarHBondContact O-CG1 3.45Å; I19-I23 PolarHBondContact O-N 3.02Å; Q21-I23 VanDerWaalsContact C-N 3.32Å; Q21-I23 PolarHBondContact O-N 2.93Å; I23-A27 WeakPolarHBondContact O-CB 3.4Å; I23-A27 PolarHBondContact O-N 3.41Å; I23-K247 HydrophobicContact CD1-CB 4.15Å; I23-K247 HydrophobicContact CD1-CD 4.48Å; I23-K247 HydrophobicContact CD1-CG 3.95Å; I23-K247 HydrophobicContact CG1-CB 4.48Å; I23-L250 HydrophobicContact CD1-CD2 4.25Å; I23-L250 HydrophobicContact CG2-CD2 3.92Å; I23-L250 HydrophobicContact CG2-CG 4.26Å; I23-L251 HydrophobicContact CG2-CD2 3.98Å; I23-L251 HydrophobicContact CG2-CG 4.33Å; I23-R254 PolarHBondContact O-NH1 3.35Å; I23-L267 HydrophobicContact CD1-CD1 4.23Å; I23-L267 HydrophobicContact CD1-CD2 3.66Å
24R97.5Very high97.8Very high136 Ų13668.5 Ų68.551%0.51337%0.37SS..Hα-helixtrans-71.9-36173.8-7017969.5-149.76.8112.3Y20 Q21 D22Y20-R24 HydrophobicContact CE1-CG 4.2Å; Y20-R24 HydrophobicContact CE2-CG 4.5Å; Y20-R24 WeakPolarHBondContact O-CG 3.32Å; Y20-R24 PolarHBondContact O-N 2.96Å; Q21-R24 WeakPolarHBondContact O-CA 3.43Å; Q21-R24 WeakPolarHBondContact O-CB 3.39Å; Q21-R24 PolarHBondContact O-N 3.18Å; D22-R24 PolarHBondContact O-N 3Å
25H97.4Very high97.9Very high151 Ų15165.7 Ų65.770%0.69934%0.341SS*.Hα-helixtrans-74-35.5178.1-68.294.9000112.2Q21 D22Q21-H25 PolarHBondContact O-N 3.17Å; Q21-H25 PolarHBondContact O-ND1 3.39Å; D22-H25 PolarHBondContact O-N 3.49Å
26E98Very high97.9Very high129 Ų12969.3 Ų69.360%0.60335%0.353SS*.Hα-helixtrans-81.9-14.6179.2-68.9177.5-154.100113.8D22 S28 L251D22-E26 WeakPolarHBondContact O-CG 3.49Å; D22-E26 PolarHBondContact O-N 3.28Å; E26-S28 PolarHBondContact O-N 3.03Å; E26-L251 HydrophobicContact CB-CD1 4.41Å; E26-L251 HydrophobicContact CB-CD2 3.88Å; E26-L251 WeakPolarHBondContact OE2-CD1 3.46Å
27A96.9Very high97.9Very high30 Ų3072.2 Ų72.225%0.24837%0.369CS..SBendtrans-60.2138.6-177.700000111.6I23I23-A27 WeakPolarHBondContact O-CB 3.4Å; I23-A27 PolarHBondContact O-N 3.41Å
28S93.8Very high97.9Very high43 Ų4374.9 Ų74.930%0.30138%0.381SS..  trans-64.8144.6175.8-51.80000111.7E26E26-S28 PolarHBondContact O-N 3.03Å
29D96.9Very high97.9Very high144 Ų14478.2 Ų78.277%0.7739%0.386SS*.  trans-118.1126.2171.5-172.428000109.3
30F98.3Very high98Very high74 Ų7476.7 Ų76.733%0.32538%0.378SS..  trans-130.6156.1-178.8-64.4-71.5000110.3F52 H54 K255F30-F52 HydrophobicContact CB-CB 4.08Å; F30-F52 HydrophobicContact CB-CD1 3.67Å; F30-F52 HydrophobicContact CB-CD2 4.21Å; F30-F52 HydrophobicContact CB-CE1 4.05Å; F30-F52 HydrophobicContact CB-CG 3.76Å; F30-F52 HydrophobicContact CB-CZ 4.47Å; F30-F52 HydrophobicContact CD2-CD2 4.01Å; F30-F52 AromaticContact CD2-CE2 3.99Å; F30-F52 HydrophobicContact CD2-CE2 3.99Å; F30-F52 HydrophobicContact CD2-CG 4.42Å; F30-F52 HydrophobicContact CD2-CZ 4.37Å; F30-F52 WeakPolarHBondContact O-CD1 3.49Å; F30-F52 WeakPolarHBondContact O-CE1 3.33Å; F30-H54 AromaticContact CD2-NE2 3.45Å; F30-H54 WeakPolarHBondContact CD2-NE2 3.06Å; F30-H54 AromaticContact CG-CD2 3.92Å; F30-H54 AromaticContact CG-NE2 3.61Å; F30-K255 WeakPolarHBondContact CD2-O 3.45Å; F30-K255 HydrophobicContact CE2-CB 4.06Å; F30-K255 HydrophobicContact CE2-CG 4.43Å; F30-K255 WeakPolarHBondContact CE2-O 3.35Å
31P98.5Very high98Very high68 Ų6884.3 Ų84.344%0.44241%0.412SS..  trans-61.3142.1-179-2334000113.6R33 F52 D53P31-R33 HydrophobicContact CB-CG 4.08Å; P31-F52 WeakPolarHBondContact O-CA 3.41Å; P31-D53 PolarHBondContact O-N 3.36Å
32C98.6Very high98Very high16 Ų1685.8 Ų85.811%0.10842%0.422CS..  trans-119.339.4172.1-64.10000111.4V34 A35 K36 P51 F52 M258C32-V34 PolarHBondContact O-N 2.88Å; C32-A35 HydrophobicContact CB-CB 4.3Å; C32-A35 PolarHBondContact O-N 2.99Å; C32-K36 WeakPolarHBondContact O-CG 3.48Å; C32-K36 PolarHBondContact O-N 3.27Å; C32-P51 PolarHBondContact SG-O 3.47Å; C32-F52 VanDerWaalsContact SG-CD1 3.53Å; C32-M258 WeakPolarHBondContact SG-CE 3.43Å
33R98.7Very high98Very high192 Ų19283.3 Ų83.373%0.72541%0.407SS*.THydrogen-bonded Turntrans-59.5-43.9-168.5-62.4177.4-179.71781.3111.9P31 A35 K36 L37 D53P31-R33 HydrophobicContact CB-CG 4.08Å; R33-A35 VanDerWaalsContact C-N 3.34Å; R33-A35 PolarHBondContact O-N 2.94Å; R33-K36 PolarHBondContact O-N 3.28Å; R33-L37 PolarHBondContact O-N 3.31Å; R33-D53 WeakPolarHBondContact CB-OD2 3.38Å; R33-D53 VanDerWaalsContact N-CG 3.29Å; R33-D53 PolarHBondContact N-OD1 3.42Å; R33-D53 PolarHBondContact N-OD2 2.76Å
34V98.8Very high98.1Very high32 Ų3284.2 Ų84.219%0.19441%0.412CS..THydrogen-bonded Turntrans-65.1-41.4-178.5-1790000110.9C32 K36 L37 N40 D53 Y66C32-V34 PolarHBondContact O-N 2.88Å; V34-K36 PolarHBondContact O-N 3.26Å; V34-L37 WeakPolarHBondContact O-CB 3.49Å; V34-L37 PolarHBondContact O-N 3.17Å; V34-N40 PolarHBondContact O-ND2 3.23Å; V34-D53 PolarHBondContact N-OD1 2.97Å; V34-Y66 HydrophobicContact CG1-CD2 3.76Å; V34-Y66 HydrophobicContact CG1-CG 4.42Å
35A98.7Very high98.1Very high2 Ų280.1 Ų80.12%0.01740%0.396CS..THydrogen-bonded Turntrans-63.9-29.7179.400000113.2C32 R33 N44 P51 Y66C32-A35 HydrophobicContact CB-CB 4.3Å; C32-A35 PolarHBondContact O-N 2.99Å; R33-A35 VanDerWaalsContact C-N 3.34Å; R33-A35 PolarHBondContact O-N 2.94Å; A35-N44 PolarHBondContact O-ND2 2.85Å; A35-P51 HydrophobicContact CB-CG 4.37Å; A35-Y66 VanDerWaalsContact CA-CE2 3.48Å; A35-Y66 HydrophobicContact CB-CE2 3.69Å; A35-Y66 WeakPolarHBondContact CB-OH 3.47Å
36K98.4Very high98.2Very high109 Ų10976.1 Ų76.147%0.47438%0.375SS..THydrogen-bonded Turntrans-89.4-2-179.1-59.3-49.1-173.6-162.70114.2C32 R33 V34 R47 S50C32-K36 WeakPolarHBondContact O-CG 3.48Å; C32-K36 PolarHBondContact O-N 3.27Å; R33-K36 PolarHBondContact O-N 3.28Å; V34-K36 PolarHBondContact O-N 3.26Å; K36-R47 PolarHBondContact NZ-O 3.25Å; K36-S50 PolarHBondContact NZ-OG 2.86Å
37L98.6Very high98.2Very high77 Ų7780.7 Ų80.740%0.40339%0.387SS..SBendtrans-60.9141.2175.6-68.6175.2000111R33 V34 K39 N40R33-L37 PolarHBondContact O-N 3.31Å; V34-L37 WeakPolarHBondContact O-CB 3.49Å; V34-L37 PolarHBondContact O-N 3.17Å; L37-K39 VanDerWaalsContact C-N 3.26Å; L37-K39 HydrophobicContact CB-CG 4.35Å; L37-K39 PolarHBondContact O-N 3Å; L37-N40 PolarHBondContact O-N 3.29Å
38P98.6Very high98.2Very high118 Ų11885 Ų8577%0.76641%0.406SS*.G310 helixtrans-53.5-39.7-179.8-2935.6000114N40 K41P38-N40 PolarHBondContact O-N 3.43Å; P38-N40 VanDerWaalsContact O-N 3.17Å; P38-K41 WeakPolarHBondContact O-CB 3.26Å; P38-K41 PolarHBondContact O-N 3.02Å; P38-K41 VanDerWaalsContact O-N 3.17Å
39K98.3Very high98.4Very high122 Ų12283.4 Ų83.453%0.5340%0.395SS..G310 helixtrans-63.3-19178.470.4173.2-172.6168.80114.5L37 N42L37-K39 VanDerWaalsContact C-N 3.26Å; L37-K39 HydrophobicContact CB-CG 4.35Å; L37-K39 PolarHBondContact O-N 3Å; K39-N42 PolarHBondContact O-OD1 2.79Å
40N98.7Very high98.5Very high0 Ų076.6 Ų76.60%036%0.358CS..G310 helixtrans-101.70.5-178.9-69.9-23.8000113.1V34 L37 P38 N42 R43 N44 N64 Y66V34-N40 PolarHBondContact O-ND2 3.23Å; L37-N40 PolarHBondContact O-N 3.29Å; P38-N40 PolarHBondContact O-N 3.43Å; P38-N40 VanDerWaalsContact O-N 3.17Å; N40-N42 VanDerWaalsContact C-N 3.29Å; N40-N42 PolarHBondContact O-N 2.94Å; N40-R43 PolarHBondContact O-N 3.49Å; N40-N44 PolarHBondContact O-ND2 3.14Å; N40-N64 PolarHBondContact OD1-ND2 3.47Å; N40-N64 PolarHBondContact OD1-OD1 2.92Å; N40-Y66 HydrophobicContact CB-CD1 3.6Å; N40-Y66 HydrophobicContact CB-CE1 3.88Å; N40-Y66 HydrophobicContact CB-CG 4.11Å; N40-Y66 VanDerWaalsContact CG-CD1 3.42Å; N40-Y66 WeakPolarHBondContact ND2-CB 3.5Å; N40-Y66 WeakPolarHBondContact OD1-CB 3.44Å
41K98.6Very high98.6Very high174 Ų17473.1 Ų73.176%0.75734%0.343SS*.G310 helixtrans-56.7-42.1-178.4-174.5-178.8176.1-175.50112.2P38 R43 N44P38-K41 WeakPolarHBondContact O-CB 3.26Å; P38-K41 PolarHBondContact O-N 3.02Å; P38-K41 VanDerWaalsContact O-N 3.17Å; K41-R43 VanDerWaalsContact C-N 3.27Å; K41-R43 PolarHBondContact O-N 3.07Å; K41-N44 PolarHBondContact O-N 2.79Å
42N98.6Very high98.6Very high101 Ų10170 Ų7054%0.5432%0.322SS..G310 helixtrans-79.3-2.7178.866.9-7.3000114.1K39 N40 L88 N90K39-N42 PolarHBondContact O-OD1 2.79Å; N40-N42 VanDerWaalsContact C-N 3.29Å; N40-N42 PolarHBondContact O-N 2.94Å; N42-L88 WeakPolarHBondContact O-CD1 3.38Å; N42-N90 PolarHBondContact O-ND2 3.45Å; N42-N90 PolarHBondContact O-OD1 3.48Å
43R98.8Very high98.6Very high26 Ų2671 Ų7110%0.09833%0.327CS..G310 helixtrans-97.1-1.3173.5-63.5-172.7176.8-158.6-0.3112.2N40 K41 N64 Y66 Q85 T91 H94N40-R43 PolarHBondContact O-N 3.49Å; K41-R43 VanDerWaalsContact C-N 3.27Å; K41-R43 PolarHBondContact O-N 3.07Å; R43-N64 PolarHBondContact NH1-O 3.5Å; R43-Y66 HydrophobicContact CB-CD1 3.76Å; R43-Y66 HydrophobicContact CB-CE1 3.83Å; R43-Y66 WeakPolarHBondContact CD-O 3.28Å; R43-Y66 HydrophobicContact CG-CD1 4.45Å; R43-Y66 PolarHBondContact NH1-O 3.47Å; R43-Q85 PolarHBondContact O-NE2 2.98Å; R43-T91 HydrophobicContact CB-CG2 4.28Å; R43-T91 HydrophobicContact CG-CG2 4.21Å; R43-H94 PolarHBondContact NH2-CE1 3.35Å; R43-H94 PolarHBondContact NH2-NE2 3.08Å; R43-H94 VanDerWaalsContact NH2-NE2 3.14Å
44N98.8Very high98.6Very high25 Ų2567 Ų6713%0.13432%0.316CS..  trans-110.8120.9179-69.6-54.8000111.1A35 N40 K41 Y66 N68A35-N44 PolarHBondContact O-ND2 2.85Å; N40-N44 PolarHBondContact O-ND2 3.14Å; K41-N44 PolarHBondContact O-N 2.79Å; N44-Y66 PolarHBondContact OD1-OH 2.91Å; N44-N68 PolarHBondContact OD1-ND2 2.78Å
45R98.6Very high98.6Very high49 Ų4965.9 Ų65.919%0.18531%0.309CS..SBendtrans-69.3-37.5176.2179.1172.9-74.4-78.21.5112.1G86 P87 L88 L119 K120R45-G86 PolarHBondContact NE-O 3.28Å; R45-G86 PolarHBondContact NH2-O 3.18Å; R45-P87 PolarHBondContact NH2-O 2.92Å; R45-L88 HydrophobicContact CB-CD2 4.01Å; R45-L88 HydrophobicContact CB-CG 4.34Å; R45-L88 HydrophobicContact CG-CD2 4.22Å; R45-L119 PolarHBondContact NH1-O 3.33Å; R45-K120 VanDerWaalsContact CZ-O 3.3Å; R45-K120 PolarHBondContact NE-O 2.81Å
46Y98.4Very high98.6Very high67 Ų6767 Ų6726%0.26331%0.314SS..  trans-126.8132.8-178.1-61.9-67.4000110.2D48 V49 S216 A217Y46-D48 PolarHBondContact O-N 2.59Å; Y46-V49 PolarHBondContact O-N 3Å; Y46-S216 PolarHBondContact OH-OG 3.21Å; Y46-A217 HydrophobicContact CD2-CB 3.66Å; Y46-A217 HydrophobicContact CE2-CB 3.75Å
47R97.9Very high98.6Very high225 Ų22562.2 Ų62.285%0.84929%0.293SS*.THydrogen-bonded Turntrans-66.3-31-177.1-174.7-176.270.7176.30.5112.3K36K36-R47 PolarHBondContact NZ-O 3.25Å
48D97.8Very high98.6Very high121 Ų12163.9 Ų63.965%0.64730%0.297SS*.THydrogen-bonded Turntrans-950.4-174.458.6-32.1000113.6Y46Y46-D48 PolarHBondContact O-N 2.59Å
49V98.7Very high98.6Very high10 Ų1058.5 Ų58.56%0.06126%0.261CS..  trans-122.1113176.1-174.50000109.7Y46 N68 A217 I219Y46-V49 PolarHBondContact O-N 3Å; V49-N68 PolarHBondContact O-ND2 2.94Å; V49-A217 HydrophobicContact CG1-CB 4.45Å; V49-A217 HydrophobicContact CG2-CB 4.29Å; V49-I219 HydrophobicContact CG1-CD1 3.99Å; V49-I219 HydrophobicContact CG1-CG2 3.86Å; V49-I219 HydrophobicContact CG2-CD1 3.73Å
50S98.8Very high98.6Very high1 Ų159.4 Ų59.41%0.00727%0.267CS..  trans-140.7148.1-176.6-63.20000111.1K36 M258K36-S50 PolarHBondContact NZ-OG 2.86Å; S50-M258 PolarHBondContact N-SD 3.08Å; S50-M258 VanDerWaalsContact O-CE 3.28Å; S50-M258 WeakPolarHBondContact O-CE 3.39Å
51P98.9Very high98.1Very high1 Ų161.8 Ų61.81%0.00628%0.278CS..BIsolated β-bridgetrans-71.6147.4172.234.1-36.6000109.8C32 A35 R56 Y66 A69 S70C32-P51 PolarHBondContact SG-O 3.47Å; A35-P51 HydrophobicContact CB-CG 4.37Å; P51-R56 HydrophobicContact CB-CB 3.86Å; P51-R56 HydrophobicContact CG-CB 4.07Å; P51-Y66 WeakPolarHBondContact CD-OH 3.33Å; P51-Y66 HydrophobicContact CG-CE2 3.91Å; P51-A69 WeakPolarHBondContact CB-O 3.33Å; P51-S70 WeakPolarHBondContact CB-OG 3.42Å
52F98.9Very high97.5Very high1 Ų163.4 Ų63.40%0.00429%0.289CS..  trans-71.5147.9168.8-59.2-50.3000110.5F30 P31 C32 H54 S55 R56 R254 K255 M258F30-F52 HydrophobicContact CB-CB 4.08Å; F30-F52 HydrophobicContact CB-CD1 3.67Å; F30-F52 HydrophobicContact CB-CD2 4.21Å; F30-F52 HydrophobicContact CB-CE1 4.05Å; F30-F52 HydrophobicContact CB-CG 3.76Å; F30-F52 HydrophobicContact CB-CZ 4.47Å; F30-F52 HydrophobicContact CD2-CD2 4.01Å; F30-F52 AromaticContact CD2-CE2 3.99Å; F30-F52 HydrophobicContact CD2-CE2 3.99Å; F30-F52 HydrophobicContact CD2-CG 4.42Å; F30-F52 HydrophobicContact CD2-CZ 4.37Å; F30-F52 WeakPolarHBondContact O-CD1 3.49Å; F30-F52 WeakPolarHBondContact O-CE1 3.33Å; P31-F52 WeakPolarHBondContact O-CA 3.41Å; C32-F52 VanDerWaalsContact SG-CD1 3.53Å; F52-H54 VanDerWaalsContact C-N 3.25Å; F52-H54 AromaticContact CD2-NE2 3.83Å; F52-H54 AromaticContact CG-NE2 3.98Å; F52-H54 PolarHBondContact O-N 2.82Å; F52-S55 PolarHBondContact O-N 3.05Å; F52-S55 PolarHBondContact O-OG 2.97Å; F52-R56 WeakPolarHBondContact O-CB 3.19Å; F52-R56 PolarHBondContact O-N 2.97Å; F52-R254 WeakPolarHBondContact CE2-O 3.36Å; F52-K255 WeakPolarHBondContact CD2-O 3.36Å; F52-M258 HydrophobicContact CD1-CE 4.37Å; F52-M258 HydrophobicContact CE1-CB 4.19Å; F52-M258 HydrophobicContact CE1-CE 3.85Å; F52-M258 HydrophobicContact CE2-CB 4.46Å; F52-M258 HydrophobicContact CZ-CB 3.77Å
53D98.9Very high97.2Very high39 Ų3965.2 Ų65.221%0.20930%0.298CS..THydrogen-bonded Turntrans-62.7-32.6-175-66.8-39.1000112.6P31 R33 V34P31-D53 PolarHBondContact O-N 3.36Å; R33-D53 WeakPolarHBondContact CB-OD2 3.38Å; R33-D53 VanDerWaalsContact N-CG 3.29Å; R33-D53 PolarHBondContact N-OD1 3.42Å; R33-D53 PolarHBondContact N-OD2 2.76Å; V34-D53 PolarHBondContact N-OD1 2.97Å
54H98.8Very high97.1Very high108 Ų10864.5 Ų64.550%0.530%0.297SS..THydrogen-bonded Turntrans-78.8-21-176.571.185.9000113.9F30 F52 K255F30-H54 AromaticContact CD2-NE2 3.45Å; F30-H54 WeakPolarHBondContact CD2-NE2 3.06Å; F30-H54 AromaticContact CG-CD2 3.92Å; F30-H54 AromaticContact CG-NE2 3.61Å; F52-H54 VanDerWaalsContact C-N 3.25Å; F52-H54 AromaticContact CD2-NE2 3.83Å; F52-H54 AromaticContact CG-NE2 3.98Å; F52-H54 PolarHBondContact O-N 2.82Å; H54-K255 PolarHBondContact CE1-O 3.35Å; H54-K255 PolarHBondContact NE2-O 2.81Å
55S98.8Very high97.1Very high7 Ų765.4 Ų65.45%0.04930%0.301CS..THydrogen-bonded Turntrans-117.9-5-175.661.30000113.2F52 S70 L71 F256F52-S55 PolarHBondContact O-N 3.05Å; F52-S55 PolarHBondContact O-OG 2.97Å; S55-S70 CarbonylContact O-C 3.59Å; S55-S70 WeakPolarHBondContact O-CA 3.37Å; S55-L71 PolarHBondContact O-N 3.37Å; S55-F256 WeakPolarHBondContact CB-O 3.34Å; S55-F256 PolarHBondContact OG-O 2.71Å
56R98.9Very high97.1Very high27 Ų2763 Ų6310%0.10229%0.292CS..EExtended strand (participates in β ladder)trans-60.7143.6179.273.7-178.3-175.989.5-2.7111.2P51 F52 D65 A69P51-R56 HydrophobicContact CB-CB 3.86Å; P51-R56 HydrophobicContact CG-CB 4.07Å; F52-R56 WeakPolarHBondContact O-CB 3.19Å; F52-R56 PolarHBondContact O-N 2.97Å; R56-D65 IonicContact CZ-OD1 3.63Å; R56-D65 IonicContact CZ-OD2 3.35Å; R56-D65 VanDerWaalsContact NH1-CG 3.27Å; R56-D65 IonicContact NH1-OD1 2.81Å; R56-D65 PolarHBondContact NH1-OD1 2.95Å; R56-D65 IonicContact NH1-OD2 2.79Å; R56-D65 PolarHBondContact NH1-OD2 3.44Å; R56-D65 IonicContact NH2-OD1 2.91Å; R56-D65 PolarHBondContact NH2-OD1 3.41Å; R56-D65 VanDerWaalsContact NH2-OD1 3.08Å; R56-D65 IonicContact NH2-OD2 3.08Å; R56-D65 PolarHBondContact NH2-OD2 2.85Å; R56-A69 VanDerWaalsContact CA-O 3.25Å; R56-A69 WeakPolarHBondContact CA-O 3.17Å
57I98.9Very high97.1Very high8 Ų860.3 Ų60.34%0.04128%0.282CS..EExtended strand (participates in β ladder)trans-71.9143164.4-57.2-62.2000108.9I67 A69 L71 I82 M98 Q102I57-I67 HydrophobicContact CB-CG2 4.15Å; I57-I67 HydrophobicContact CG2-CG2 4.35Å; I57-A69 HydrophobicContact CB-CB 4.16Å; I57-A69 HydrophobicContact CG1-CB 4.06Å; I57-A69 PolarHBondContact N-O 2.86Å; I57-L71 HydrophobicContact CD1-CB 3.84Å; I57-I82 HydrophobicContact CD1-CD1 4.05Å; I57-I82 HydrophobicContact CD1-CG1 3.97Å; I57-I82 HydrophobicContact CG1-CD1 4.32Å; I57-I82 HydrophobicContact CG1-CG1 4.17Å; I57-I82 HydrophobicContact CG1-CG2 4.11Å; I57-M98 HydrophobicContact CB-SD 4.32Å; I57-M98 HydrophobicContact CG1-SD 4.31Å; I57-M98 HydrophobicContact CG2-CG 3.85Å; I57-M98 HydrophobicContact CG2-SD 4.24Å; I57-Q102 HydrophobicContact CG2-CG 4.18Å
58K98.9Very high97.2Very high112 Ų11249.7 Ų49.749%0.48724%0.242SC..EExtended strand (participates in β ladder)trans-115.7125.8175.1-50.1-169.7179173.60107.5D65K58-D65 WeakPolarHBondContact CA-O 3.48Å; K58-D65 HydrophobicContact CB-CB 4.23Å
59L98.8Very high97.3Very high4 Ų444 Ų442%0.02121%0.212CC..  trans-71.1147.2171.3-54.8170.6000108.9Q61 D65 I67 H94 E97 M98 E101L59-Q61 HydrophobicContact CB-CG 4.33Å; L59-Q61 PolarHBondContact O-N 3.45Å; L59-D65 PolarHBondContact N-O 3.16Å; L59-D65 WeakPolarHBondContact O-CB 3.42Å; L59-I67 HydrophobicContact CD1-CB 4.23Å; L59-I67 HydrophobicContact CD2-CB 4.33Å; L59-I67 HydrophobicContact CD2-CD1 4.46Å; L59-I67 HydrophobicContact CD2-CG2 4Å; L59-I67 HydrophobicContact CG-CB 4.26Å; L59-I67 HydrophobicContact CG-CG2 4.08Å; L59-H94 HydrophobicContact CD1-CB 3.87Å; L59-E97 HydrophobicContact CD2-CB 4.49Å; L59-E97 HydrophobicContact CD2-CG 4.24Å; L59-M98 HydrophobicContact CD2-CB 3.91Å; L59-E101 WeakPolarHBondContact CA-OE2 3.42Å
60H97Very high97.3Very high141 Ų14143.5 Ų43.565%0.65321%0.209SC*.SBendtrans-83.948.4177.9-55.1155.3000112.1E101H60-E101 WeakPolarHBondContact CA-OE1 3.25Å; H60-E101 WeakPolarHBondContact CB-OE1 3.38Å; H60-E101 IonicContact CG-OE1 3.98Å; H60-E101 IonicContact CG-OE2 2.76Å; H60-E101 VanDerWaalsContact N-CD 3.33Å; H60-E101 PolarHBondContact N-OE1 3.04Å; H60-E101 PolarHBondContact N-OE2 3.39Å; H60-E101 VanDerWaalsContact N-OE2 3.13Å; H60-E101 IonicContact ND1-OE1 3.33Å; H60-E101 IonicContact ND1-OE2 2.78Å
61Q88.9Confident97.3Very high50 Ų5046 Ų4623%0.23422%0.222CC..  trans-111.6140.5175.8-59.5-170.7-22.800111.1L59 E97L59-Q61 HydrophobicContact CB-CG 4.33Å; L59-Q61 PolarHBondContact O-N 3.45Å; Q61-E97 VanDerWaalsContact CD-OE1 3.24Å; Q61-E97 VanDerWaalsContact CD-OE2 3.31Å; Q61-E97 WeakPolarHBondContact CG-OE1 3.41Å; Q61-E97 PolarHBondContact NE2-OE1 3.19Å; Q61-E97 PolarHBondContact NE2-OE2 3.15Å
62E85Confident97.3Very high209 Ų20946 Ų4698%0.97722%0.222SC*.SBendtrans-74.2-33.3-179.6-63.9-167.916700113.5
63D92.4Very high97.3Very high138 Ų13850.9 Ų50.974%0.73824%0.243SC*.SBendtrans-73.1-54.6-175.7178.931.1000112.6
64N97.7Very high97.2Very high12 Ų1249.6 Ų49.66%0.06424%0.236CC..  trans-150.898.7-178.6-167.2-3000113.5N40 R43 Y66N40-N64 PolarHBondContact OD1-ND2 3.47Å; N40-N64 PolarHBondContact OD1-OD1 2.92Å; R43-N64 PolarHBondContact NH1-O 3.5Å; N64-Y66 PolarHBondContact O-N 3.34Å; N64-Y66 VanDerWaalsContact OD1-CB 3.26Å; N64-Y66 WeakPolarHBondContact OD1-CB 3.18Å; N64-Y66 PolarHBondContact OD1-N 3.25Å
65D98.4Very high97.1Very high43 Ų4351.5 Ų51.523%0.2325%0.245CC..  trans-68.81.817980.3-1000115.3R56 K58 L59R56-D65 IonicContact CZ-OD1 3.63Å; R56-D65 IonicContact CZ-OD2 3.35Å; R56-D65 VanDerWaalsContact NH1-CG 3.27Å; R56-D65 IonicContact NH1-OD1 2.81Å; R56-D65 PolarHBondContact NH1-OD1 2.95Å; R56-D65 IonicContact NH1-OD2 2.79Å; R56-D65 PolarHBondContact NH1-OD2 3.44Å; R56-D65 IonicContact NH2-OD1 2.91Å; R56-D65 PolarHBondContact NH2-OD1 3.41Å; R56-D65 VanDerWaalsContact NH2-OD1 3.08Å; R56-D65 IonicContact NH2-OD2 3.08Å; R56-D65 PolarHBondContact NH2-OD2 2.85Å; K58-D65 WeakPolarHBondContact CA-O 3.48Å; K58-D65 HydrophobicContact CB-CB 4.23Å; L59-D65 PolarHBondContact N-O 3.16Å; L59-D65 WeakPolarHBondContact O-CB 3.42Å
66Y98.9Very high97.1Very high0 Ų055.9 Ų55.90%027%0.265CS..EExtended strand (participates in β ladder)trans-85.9125.4-168.8-178-102.8000113.7V34 A35 N40 R43 N44 P51 N64V34-Y66 HydrophobicContact CG1-CD2 3.76Å; V34-Y66 HydrophobicContact CG1-CG 4.42Å; A35-Y66 VanDerWaalsContact CA-CE2 3.48Å; A35-Y66 HydrophobicContact CB-CE2 3.69Å; A35-Y66 WeakPolarHBondContact CB-OH 3.47Å; N40-Y66 HydrophobicContact CB-CD1 3.6Å; N40-Y66 HydrophobicContact CB-CE1 3.88Å; N40-Y66 HydrophobicContact CB-CG 4.11Å; N40-Y66 VanDerWaalsContact CG-CD1 3.42Å; N40-Y66 WeakPolarHBondContact ND2-CB 3.5Å; N40-Y66 WeakPolarHBondContact OD1-CB 3.44Å; R43-Y66 HydrophobicContact CB-CD1 3.76Å; R43-Y66 HydrophobicContact CB-CE1 3.83Å; R43-Y66 WeakPolarHBondContact CD-O 3.28Å; R43-Y66 HydrophobicContact CG-CD1 4.45Å; R43-Y66 PolarHBondContact NH1-O 3.47Å; N44-Y66 PolarHBondContact OD1-OH 2.91Å; P51-Y66 WeakPolarHBondContact CD-OH 3.33Å; P51-Y66 HydrophobicContact CG-CE2 3.91Å; N64-Y66 PolarHBondContact O-N 3.34Å; N64-Y66 VanDerWaalsContact OD1-CB 3.26Å; N64-Y66 WeakPolarHBondContact OD1-CB 3.18Å; N64-Y66 PolarHBondContact OD1-N 3.25Å
67I98.9Very high97Very high10 Ų1055 Ų555%0.05126%0.263CS..EExtended strand (participates in β ladder)trans-133.8144.9162-175.1164.7000109.5I57 L59 A69 H94 M98I57-I67 HydrophobicContact CB-CG2 4.15Å; I57-I67 HydrophobicContact CG2-CG2 4.35Å; L59-I67 HydrophobicContact CD1-CB 4.23Å; L59-I67 HydrophobicContact CD2-CB 4.33Å; L59-I67 HydrophobicContact CD2-CD1 4.46Å; L59-I67 HydrophobicContact CD2-CG2 4Å; L59-I67 HydrophobicContact CG-CB 4.26Å; L59-I67 HydrophobicContact CG-CG2 4.08Å; I67-A69 HydrophobicContact CG1-CB 4.38Å; I67-A69 HydrophobicContact CG2-CB 4.13Å; I67-A69 PolarHBondContact O-N 3.26Å; I67-H94 HydrophobicContact CD1-CB 4.24Å; I67-H94 WeakPolarHBondContact CD1-O 3.39Å; I67-M98 HydrophobicContact CD1-CB 4.07Å; I67-M98 HydrophobicContact CD1-CE 4.43Å; I67-M98 HydrophobicContact CD1-SD 3.93Å; I67-M98 HydrophobicContact CG2-SD 4.36Å
68N98.9Very high97Very high2 Ų261.5 Ų61.51%0.01129%0.293CS..EExtended strand (participates in β ladder)trans-78.172175.4-169.8-37.8000110.9N44 V49 T84 Q85 R257N44-N68 PolarHBondContact OD1-ND2 2.78Å; V49-N68 PolarHBondContact O-ND2 2.94Å; N68-T84 WeakPolarHBondContact O-CA 3.49Å; N68-T84 PolarHBondContact O-OG1 3.31Å; N68-Q85 HydrophobicContact CB-CG 4.12Å; N68-Q85 PolarHBondContact ND2-OE1 3.16Å; N68-Q85 PolarHBondContact O-N 2.81Å; N68-R257 PolarHBondContact OD1-NH1 3.37Å; N68-R257 PolarHBondContact OD1-NH2 2.76Å
69A98.9Very high96.9Very high0 Ų058 Ų580%028%0.277CS..EExtended strand (participates in β ladder)trans-139.9148.4178.900000110.5P51 R56 I57 I67 I82 L83 M98P51-A69 WeakPolarHBondContact CB-O 3.33Å; R56-A69 VanDerWaalsContact CA-O 3.25Å; R56-A69 WeakPolarHBondContact CA-O 3.17Å; I57-A69 HydrophobicContact CB-CB 4.16Å; I57-A69 HydrophobicContact CG1-CB 4.06Å; I57-A69 PolarHBondContact N-O 2.86Å; I67-A69 HydrophobicContact CG1-CB 4.38Å; I67-A69 HydrophobicContact CG2-CB 4.13Å; I67-A69 PolarHBondContact O-N 3.26Å; A69-I82 HydrophobicContact CB-CG2 4.01Å; A69-L83 CarbonylContact C-O 3.58Å; A69-L83 WeakPolarHBondContact CA-O 3.37Å; A69-M98 HydrophobicContact CB-CE 4.49Å; A69-M98 HydrophobicContact CB-SD 3.47Å; A69-M98 WeakPolarHBondContact CB-SD 3.44Å
70S98.9Very high96.9Very high0 Ų059.6 Ų59.60%029%0.288CS..EExtended strand (participates in β ladder)trans-130.3132.8-179.4-55.30000110.7P51 S55 I72 I82 L83 R257P51-S70 WeakPolarHBondContact CB-OG 3.42Å; S55-S70 CarbonylContact O-C 3.59Å; S55-S70 WeakPolarHBondContact O-CA 3.37Å; S70-I72 PolarHBondContact O-N 3.13Å; S70-I82 WeakPolarHBondContact O-CA 3.35Å; S70-L83 PolarHBondContact N-O 2.96Å; S70-L83 PolarHBondContact O-N 3.49Å; S70-R257 PolarHBondContact OG-NH1 3.31Å; S70-R257 VanDerWaalsContact OG-NH1 3.08Å
71L98.9Very high97Very high54 Ų5452.9 Ų52.928%0.28326%0.257SS..EExtended strand (participates in β ladder)trans-79.1113.6168.3-17761.6000109.4S55 I57 I82 P210 F256S55-L71 PolarHBondContact O-N 3.37Å; I57-L71 HydrophobicContact CD1-CB 3.84Å; L71-I82 HydrophobicContact CD1-CG1 4.17Å; L71-P210 HydrophobicContact CD1-CB 4.18Å; L71-P210 HydrophobicContact CD1-CG 3.74Å; L71-F256 VanDerWaalsContact O-CD1 3.28Å; L71-F256 WeakPolarHBondContact O-CD1 3.39Å
72I98.9Very high97.5Very high0 Ų050.5 Ų50.50%025%0.246CC..EExtended strand (participates in β ladder)trans-95.2109.7171.4-41.2-60.1000107.1S70 M74 S80 Y81 L83 M253 F256 R257S70-I72 PolarHBondContact O-N 3.13Å; I72-M74 HydrophobicContact CG2-CG 4.44Å; I72-M74 HydrophobicContact CG2-SD 3.91Å; I72-S80 VanDerWaalsContact O-CA 3.28Å; I72-S80 WeakPolarHBondContact O-CA 3.3Å; I72-Y81 HydrophobicContact CB-CD2 4.4Å; I72-Y81 PolarHBondContact N-O 2.86Å; I72-Y81 PolarHBondContact O-N 3.45Å; I72-L83 HydrophobicContact CG1-CB 4.37Å; I72-L83 HydrophobicContact CG1-CD1 3.81Å; I72-L83 HydrophobicContact CG1-CD2 4.39Å; I72-L83 HydrophobicContact CG1-CG 4.41Å; I72-M253 HydrophobicContact CG2-CB 4.26Å; I72-M253 HydrophobicContact CG2-CE 4.32Å; I72-M253 HydrophobicContact CG2-CG 4.26Å; I72-F256 HydrophobicContact CB-CB 4.36Å; I72-F256 HydrophobicContact CD1-CB 3.42Å; I72-F256 VanDerWaalsContact CD1-CB 3.42Å; I72-F256 HydrophobicContact CG1-CB 4.44Å; I72-F256 HydrophobicContact CG2-CB 4.21Å; I72-F256 HydrophobicContact CG2-CD2 4.11Å; I72-F256 HydrophobicContact CG2-CG 4.32Å; I72-R257 HydrophobicContact CD1-CB 3.62Å
73K98.6Very high98.2Very high105 Ų10540.5 Ų40.546%0.45720%0.2SC..EExtended strand (participates in β ladder)trans-108.4104.5-177.9-172.6-177.5-179.4-168.10110.1E75 F256K73-E75 HydrophobicContact CG-CG 4.5Å; K73-E75 PolarHBondContact O-N 3.15Å; K73-F256 HydrophobicContact CB-CE1 4.07Å; K73-F256 HydrophobicContact CB-CZ 4.26Å; K73-F256 VanDerWaalsContact O-CZ 3.22Å; K73-F256 WeakPolarHBondContact O-CZ 3.06Å
74M98.6Very high98.5Very high12 Ų1234.1 Ų34.16%0.05917%0.165CC..EExtended strand (participates in β ladder)trans-91.790.3178.9-57.3-49.4-67.300109.4I72 E76 A77 Q78 R79 Y81 T230 V249 E252 M253I72-M74 HydrophobicContact CG2-CG 4.44Å; I72-M74 HydrophobicContact CG2-SD 3.91Å; M74-E76 PolarHBondContact O-N 2.98Å; M74-A77 HydrophobicContact CB-CB 3.88Å; M74-A77 CarbonylContact O-C 3.49Å; M74-A77 PolarHBondContact O-N 3.12Å; M74-Q78 PolarHBondContact O-N 2.89Å; M74-R79 WeakPolarHBondContact CB-O 3.2Å; M74-R79 PolarHBondContact N-O 3.19Å; M74-R79 PolarHBondContact O-N 2.91Å; M74-Y81 HydrophobicContact CG-CE2 4.24Å; M74-T230 HydrophobicContact CB-CG2 4.19Å; M74-T230 HydrophobicContact CE-CG2 4.06Å; M74-T230 HydrophobicContact CG-CG2 3.99Å; M74-V249 HydrophobicContact CE-CG1 4.21Å; M74-E252 HydrophobicContact CE-CB 4.14Å; M74-E252 HydrophobicContact CE-CG 3.94Å; M74-M253 HydrophobicContact CE-CG 3.63Å; M74-M253 HydrophobicContact SD-CB 4.43Å; M74-M253 HydrophobicContact SD-CG 3.49Å; M74-M253 WeakPolarHBondContact SD-CG 3.4Å
75E96.9Very high98.5Very high147 Ų14733.9 Ų33.969%0.68716%0.164SC*.THydrogen-bonded Turntrans-58.4-49.5-170.3-61.4-166.3153.300112.9K73 A77 Q78K73-E75 HydrophobicContact CG-CG 4.5Å; K73-E75 PolarHBondContact O-N 3.15Å; E75-A77 PolarHBondContact O-N 3.28Å; E75-Q78 WeakPolarHBondContact O-CG 3.49Å; E75-Q78 PolarHBondContact O-N 3.24Å; E75-Q78 VanDerWaalsContact O-N 3.13Å
76E97.3Very high98.6Very high100 Ų10031.8 Ų31.847%0.46715%0.153SC..THydrogen-bonded Turntrans-64.6-41.4-179.7-169.9-171.5168.500111.9M74 Q78 L234 K237 R238M74-E76 PolarHBondContact O-N 2.98Å; E76-Q78 PolarHBondContact O-N 2.9Å; E76-L234 HydrophobicContact CB-CD2 4.02Å; E76-L234 HydrophobicContact CG-CD2 3.77Å; E76-K237 WeakPolarHBondContact O-CD 3.42Å; E76-K237 PolarHBondContact O-NZ 3.19Å; E76-R238 IonicContact OE1-CZ 3.11Å; E76-R238 IonicContact OE1-NE 2.71Å; E76-R238 PolarHBondContact OE1-NE 3.32Å; E76-R238 IonicContact OE1-NH2 2.77Å; E76-R238 PolarHBondContact OE1-NH2 3.34Å; E76-R238 IonicContact OE2-CZ 3.85Å; E76-R238 IonicContact OE2-NH2 2.78Å; E76-R238 PolarHBondContact OE2-NH2 2.97Å
77A97.3Very high98.6Very high7 Ų731.9 Ų31.96%0.05815%0.154CC..THydrogen-bonded Turntrans-73.4-13.3178.200000112.5M74 E75 R79 T230 L233 L234M74-A77 HydrophobicContact CB-CB 3.88Å; M74-A77 CarbonylContact O-C 3.49Å; M74-A77 PolarHBondContact O-N 3.12Å; E75-A77 PolarHBondContact O-N 3.28Å; A77-R79 PolarHBondContact O-N 3.19Å; A77-T230 HydrophobicContact CB-CG2 3.88Å; A77-L233 HydrophobicContact CB-CD2 4.12Å; A77-L233 WeakPolarHBondContact O-CD2 3.43Å; A77-L234 HydrophobicContact CB-CD2 3.89Å; A77-L234 HydrophobicContact CB-CG 4.08Å
78Q97.9Very high98.5Very high146 Ų14632.5 Ų32.568%0.68216%0.157SC*.THydrogen-bonded Turntrans52.238.8-174-63.1179.7-90.700112.9M74 E75 E76M74-Q78 PolarHBondContact O-N 2.89Å; E75-Q78 WeakPolarHBondContact O-CG 3.49Å; E75-Q78 PolarHBondContact O-N 3.24Å; E75-Q78 VanDerWaalsContact O-N 3.13Å; E76-Q78 PolarHBondContact O-N 2.9Å
79R98.4Very high98.5Very high37 Ų3737.7 Ų37.714%0.1419%0.19CC..EExtended strand (participates in β ladder)trans-131140.2177.8-173161.7-78.4167.64.5110.7M74 A77 Y81 L204 D229 L233M74-R79 WeakPolarHBondContact CB-O 3.2Å; M74-R79 PolarHBondContact N-O 3.19Å; M74-R79 PolarHBondContact O-N 2.91Å; A77-R79 PolarHBondContact O-N 3.19Å; R79-Y81 HydrophobicContact CB-CE2 4.47Å; R79-Y81 VanDerWaalsContact CD-CZ 3.47Å; R79-Y81 WeakPolarHBondContact CD-OH 3.42Å; R79-Y81 HydrophobicContact CG-CE1 3.89Å; R79-Y81 HydrophobicContact CG-CE2 3.95Å; R79-L204 PolarHBondContact NE-O 3.09Å; R79-D229 WeakPolarHBondContact CD-OD2 3.49Å; R79-D229 IonicContact CZ-OD2 3.71Å; R79-D229 IonicContact NE-OD2 3.46Å; R79-D229 IonicContact NH1-OD1 3.07Å; R79-D229 PolarHBondContact NH1-OD1 3.03Å; R79-D229 IonicContact NH1-OD2 2.64Å; R79-D229 PolarHBondContact NH1-OD2 3.39Å; R79-L233 HydrophobicContact CB-CD2 3.84Å
80S98.8Very high98.5Very high38 Ų3841 Ų4127%0.26621%0.208SC..EExtended strand (participates in β ladder)trans-123.8145.9177-59.20000110.4I72I72-S80 VanDerWaalsContact O-CA 3.28Å; I72-S80 WeakPolarHBondContact O-CA 3.3Å
81Y98.9Very high98.5Very high0 Ų041.5 Ų41.50%021%0.211CC..EExtended strand (participates in β ladder)trans-133.1148.6176.3-44.3-93000109.2I72 M74 R79 L204 V211 C226 D229 T230I72-Y81 HydrophobicContact CB-CD2 4.4Å; I72-Y81 PolarHBondContact N-O 2.86Å; I72-Y81 PolarHBondContact O-N 3.45Å; M74-Y81 HydrophobicContact CG-CE2 4.24Å; R79-Y81 HydrophobicContact CB-CE2 4.47Å; R79-Y81 VanDerWaalsContact CD-CZ 3.47Å; R79-Y81 WeakPolarHBondContact CD-OH 3.42Å; R79-Y81 HydrophobicContact CG-CE1 3.89Å; R79-Y81 HydrophobicContact CG-CE2 3.95Å; Y81-L204 HydrophobicContact CD1-CD2 4.38Å; Y81-L204 HydrophobicContact CE1-CD2 4.02Å; Y81-V211 HydrophobicContact CD1-CG1 3.62Å; Y81-V211 HydrophobicContact CE1-CG1 4.4Å; Y81-V211 HydrophobicContact CG-CG1 4.5Å; Y81-C226 HydrophobicContact CD1-CB 4.35Å; Y81-C226 VanDerWaalsContact CD1-SG 3.54Å; Y81-C226 HydrophobicContact CD2-CB 4.25Å; Y81-C226 HydrophobicContact CE1-CB 4.36Å; Y81-C226 HydrophobicContact CE2-CB 4.25Å; Y81-C226 HydrophobicContact CG-CB 4.29Å; Y81-D229 WeakPolarHBondContact CE1-OD2 3.49Å; Y81-D229 PolarHBondContact OH-OD2 2.86Å; Y81-T230 PolarHBondContact OH-OG1 3.47Å; Y81-T230 VanDerWaalsContact OH-OG1 3.06Å
82I98.9Very high98.5Very high0 Ų039.3 Ų39.30%020%0.2CC..EExtended strand (participates in β ladder)trans-103.2112.3164.2-70.5164.4000107.7I57 A69 S70 L71 M98 Q102 P210 V211 V212 V213I57-I82 HydrophobicContact CD1-CD1 4.05Å; I57-I82 HydrophobicContact CD1-CG1 3.97Å; I57-I82 HydrophobicContact CG1-CD1 4.32Å; I57-I82 HydrophobicContact CG1-CG1 4.17Å; I57-I82 HydrophobicContact CG1-CG2 4.11Å; A69-I82 HydrophobicContact CB-CG2 4.01Å; S70-I82 WeakPolarHBondContact O-CA 3.35Å; L71-I82 HydrophobicContact CD1-CG1 4.17Å; I82-M98 HydrophobicContact CG2-CE 3.89Å; I82-M98 HydrophobicContact CG2-SD 3.7Å; I82-Q102 HydrophobicContact CD1-CB 3.74Å; I82-Q102 HydrophobicContact CD1-CG 3.73Å; I82-P210 HydrophobicContact CD1-CB 4.08Å; I82-P210 HydrophobicContact CD1-CG 4.3Å; I82-P210 HydrophobicContact CG1-CB 3.95Å; I82-P210 HydrophobicContact CG1-CG 4.41Å; I82-V211 PolarHBondContact N-O 2.99Å; I82-V212 HydrophobicContact CB-CG2 4.22Å; I82-V212 HydrophobicContact CD1-CG2 4.47Å; I82-V212 HydrophobicContact CG2-CG2 4.37Å; I82-V212 CarbonylContact O-C 3.55Å; I82-V212 WeakPolarHBondContact O-CA 3.23Å; I82-V213 PolarHBondContact O-N 3.46Å
83L98.9Very high98.5Very high0 Ų039.4 Ų39.40%020%0.201CC..EExtended strand (participates in β ladder)trans-95.7124.2172.6-89.164000109.8A69 S70 I72 V213 L260A69-L83 CarbonylContact C-O 3.58Å; A69-L83 WeakPolarHBondContact CA-O 3.37Å; S70-L83 PolarHBondContact N-O 2.96Å; S70-L83 PolarHBondContact O-N 3.49Å; I72-L83 HydrophobicContact CG1-CB 4.37Å; I72-L83 HydrophobicContact CG1-CD1 3.81Å; I72-L83 HydrophobicContact CG1-CD2 4.39Å; I72-L83 HydrophobicContact CG1-CG 4.41Å; L83-V213 WeakPolarHBondContact CA-O 3.46Å; L83-V213 HydrophobicContact CD1-CB 4.2Å; L83-L260 HydrophobicContact CD2-CD1 4.37Å; L83-L260 HydrophobicContact CD2-CD2 3.45Å; L83-L260 VanDerWaalsContact CD2-CD2 3.45Å
84T98.9Very high98.5Very high3 Ų335.1 Ų35.12%0.01818%0.183CC..EExtended strand (participates in β ladder)trans-135.7160.6-176.1-171.20000112N68 F95 M98 V212 V213 H214 G218N68-T84 WeakPolarHBondContact O-CA 3.49Å; N68-T84 PolarHBondContact O-OG1 3.31Å; T84-F95 HydrophobicContact CG2-CD2 4.12Å; T84-F95 HydrophobicContact CG2-CE2 3.7Å; T84-M98 HydrophobicContact CG2-CE 4.21Å; T84-V212 HydrophobicContact CG2-CG1 3.7Å; T84-V213 PolarHBondContact N-O 3.18Å; T84-H214 HydrophobicContact CG2-CB 3.77Å; T84-H214 WeakPolarHBondContact O-CB 3.42Å; T84-G218 WeakPolarHBondContact O-CA 3.44Å
85Q98.9Very high98.5Very high7 Ų734.6 Ų34.63%0.03318%0.18CC..PPolyproline II helixtrans-70.4159.5171.772-178.930.400111R43 N68 P87R43-Q85 PolarHBondContact O-NE2 2.98Å; N68-Q85 HydrophobicContact CB-CG 4.12Å; N68-Q85 PolarHBondContact ND2-OE1 3.16Å; N68-Q85 PolarHBondContact O-N 2.81Å; Q85-P87 WeakPolarHBondContact O-CD 3.44Å
86G98.8Very high98.6Very high0 Ų027.6 Ų27.60%015%0.148CC..PPolyproline II helixtrans-62123.4166.800000109.5R45 C215 S216R45-G86 PolarHBondContact NE-O 3.28Å; R45-G86 PolarHBondContact NH2-O 3.18Å; G86-C215 WeakPolarHBondContact CA-O 3.39Å; G86-C215 PolarHBondContact N-O 3.33Å; G86-S216 PolarHBondContact N-O 3.13Å
87P98.9Very high98.7Very high2 Ų223.8 Ų23.81%0.01313%0.13CC..PPolyproline II helixtrans-49.5142.5-174.6-3236.6000113.3R45 Q85 F95 A122 Y124R45-P87 PolarHBondContact NH2-O 2.92Å; Q85-P87 WeakPolarHBondContact O-CD 3.44Å; P87-F95 HydrophobicContact CB-CB 4.45Å; P87-F95 HydrophobicContact CG-CB 3.88Å; P87-F95 HydrophobicContact CG-CD1 4.33Å; P87-F95 HydrophobicContact CG-CD2 3.52Å; P87-F95 HydrophobicContact CG-CE2 4.09Å; P87-F95 HydrophobicContact CG-CG 3.65Å; P87-A122 WeakPolarHBondContact O-CB 3.36Å; P87-A122 PolarHBondContact O-N 2.84Å; P87-Y124 HydrophobicContact CB-CD1 4.49Å; P87-Y124 HydrophobicContact CB-CG 4.49Å; P87-Y124 HydrophobicContact CG-CD1 3.95Å; P87-Y124 HydrophobicContact CG-CE1 4.47Å; P87-Y124 HydrophobicContact CG-CG 4.02Å
88L98.8Very high98.8Very high23 Ų2323.4 Ų23.412%0.1213%0.127CC..PPolyproline II helixtrans-85.1161.5167.3-65.8165.2000108.8N42 R45 N90 T91 C92N42-L88 WeakPolarHBondContact O-CD1 3.38Å; R45-L88 HydrophobicContact CB-CD2 4.01Å; R45-L88 HydrophobicContact CB-CG 4.34Å; R45-L88 HydrophobicContact CG-CD2 4.22Å; L88-N90 WeakPolarHBondContact CB-OD1 3.37Å; L88-N90 PolarHBondContact O-N 2.72Å; L88-N90 VanDerWaalsContact O-N 3.16Å; L88-T91 HydrophobicContact CB-CG2 4.18Å; L88-T91 HydrophobicContact CD1-CG2 4.37Å; L88-T91 PolarHBondContact N-OG1 2.75Å; L88-T91 PolarHBondContact O-N 2.93Å; L88-T91 PolarHBondContact O-OG1 3.29Å; L88-C92 PolarHBondContact O-N 3.41Å; L88-C92 PolarHBondContact O-SG 3.49Å; L88-C92 VanDerWaalsContact O-SG 3.37Å
89P98.7Very high98.8Very high110 Ų11016.5 Ų16.571%0.71410%0.095SC*.G310 helixtrans-51.9-39.3176.7-2836000113.5T91P89-T91 VanDerWaalsContact C-N 3.32Å; P89-T91 PolarHBondContact O-N 2.96Å
90N98.6Very high98.9Very high71 Ų7116.1 Ų16.138%0.389%0.093SC..G310 helixtrans-881017967.5-56.7000114.2N42 L88 H94N42-N90 PolarHBondContact O-ND2 3.45Å; N42-N90 PolarHBondContact O-OD1 3.48Å; L88-N90 WeakPolarHBondContact CB-OD1 3.37Å; L88-N90 PolarHBondContact O-N 2.72Å; L88-N90 VanDerWaalsContact O-N 3.16Å; N90-H94 PolarHBondContact O-ND1 3.38Å
91T98.8Very high98.9Very high9 Ų916 Ų166%0.0559%0.088CC..G310 helixtrans-132.116.2178.475.60000113.5R43 L88 P89 F95R43-T91 HydrophobicContact CB-CG2 4.28Å; R43-T91 HydrophobicContact CG-CG2 4.21Å; L88-T91 HydrophobicContact CB-CG2 4.18Å; L88-T91 HydrophobicContact CD1-CG2 4.37Å; L88-T91 PolarHBondContact N-OG1 2.75Å; L88-T91 PolarHBondContact O-N 2.93Å; L88-T91 PolarHBondContact O-OG1 3.29Å; P89-T91 VanDerWaalsContact C-N 3.32Å; P89-T91 PolarHBondContact O-N 2.96Å; T91-F95 WeakPolarHBondContact O-CB 3.4Å; T91-F95 PolarHBondContact O-N 2.8Å; T91-F95 VanDerWaalsContact O-N 3.12Å
92C98.9Very high98.8Very high9 Ų918.1 Ų18.16%0.06110%0.098CC..Hα-helixtrans-68.1-43.9173.7-64.80000111.4L88 F95 W96 F135L88-C92 PolarHBondContact O-N 3.41Å; L88-C92 PolarHBondContact O-SG 3.49Å; L88-C92 VanDerWaalsContact O-SG 3.37Å; C92-F95 WeakPolarHBondContact O-CB 3.43Å; C92-F95 PolarHBondContact O-N 3.09Å; C92-W96 VanDerWaalsContact O-CD1 3.29Å; C92-W96 PolarHBondContact O-N 3.27Å; C92-F135 HydrophobicContact CB-CD1 4Å; C92-F135 HydrophobicContact CB-CE1 3.52Å; C92-F135 HydrophobicContact CB-CZ 4.42Å
93G98.8Very high98.8Very high2 Ų224.8 Ų24.82%0.02113%0.127CC..Hα-helixtrans-57.8-54.9174.400000111.6F95 W96 E97 T138G93-F95 PolarHBondContact O-N 2.89Å; G93-F95 VanDerWaalsContact O-N 3.09Å; G93-W96 PolarHBondContact O-N 2.8Å; G93-E97 PolarHBondContact O-N 3.22Å; G93-T138 VanDerWaalsContact C-CG2 3.44Å; G93-T138 WeakPolarHBondContact CA-OG1 3.09Å
94H98.9Very high98.8Very high14 Ų1424.9 Ų24.97%0.06513%0.128CC..Hα-helixtrans-50.8-36.5174.1-57.4126.7000114.1R43 L59 I67 N90 M98R43-H94 PolarHBondContact NH2-CE1 3.35Å; R43-H94 PolarHBondContact NH2-NE2 3.08Å; R43-H94 VanDerWaalsContact NH2-NE2 3.14Å; L59-H94 HydrophobicContact CD1-CB 3.87Å; I67-H94 HydrophobicContact CD1-CB 4.24Å; I67-H94 WeakPolarHBondContact CD1-O 3.39Å; N90-H94 PolarHBondContact O-ND1 3.38Å; H94-M98 WeakPolarHBondContact O-CB 3.45Å; H94-M98 PolarHBondContact O-N 2.9Å
95F98.9Very high98.8Very high2 Ų227.5 Ų27.51%0.00914%0.138CC..Hα-helixtrans-66.9-44.8177.9175-86.2000111.5T84 P87 T91 C92 G93 M98 V99 V107 Y124 V212T84-F95 HydrophobicContact CG2-CD2 4.12Å; T84-F95 HydrophobicContact CG2-CE2 3.7Å; P87-F95 HydrophobicContact CB-CB 4.45Å; P87-F95 HydrophobicContact CG-CB 3.88Å; P87-F95 HydrophobicContact CG-CD1 4.33Å; P87-F95 HydrophobicContact CG-CD2 3.52Å; P87-F95 HydrophobicContact CG-CE2 4.09Å; P87-F95 HydrophobicContact CG-CG 3.65Å; T91-F95 WeakPolarHBondContact O-CB 3.4Å; T91-F95 PolarHBondContact O-N 2.8Å; T91-F95 VanDerWaalsContact O-N 3.12Å; C92-F95 WeakPolarHBondContact O-CB 3.43Å; C92-F95 PolarHBondContact O-N 3.09Å; G93-F95 PolarHBondContact O-N 2.89Å; G93-F95 VanDerWaalsContact O-N 3.09Å; F95-M98 HydrophobicContact CD2-CE 4.17Å; F95-M98 HydrophobicContact CE2-CE 4.33Å; F95-M98 WeakPolarHBondContact O-CB 3.46Å; F95-M98 PolarHBondContact O-N 2.6Å; F95-V99 HydrophobicContact CD1-CG2 4.27Å; F95-V99 HydrophobicContact CE1-CG2 3.9Å; F95-V99 HydrophobicContact CZ-CG2 4.33Å; F95-V99 WeakPolarHBondContact O-CG2 3.45Å; F95-V99 PolarHBondContact O-N 2.79Å; F95-V107 HydrophobicContact CE1-CG1 4.47Å; F95-V107 HydrophobicContact CE1-CG2 4.41Å; F95-V107 HydrophobicContact CZ-CG1 3.85Å; F95-V107 HydrophobicContact CZ-CG2 4.31Å; F95-Y124 HydrophobicContact CD1-CD2 4.09Å; F95-Y124 HydrophobicContact CD1-CE2 4.28Å; F95-Y124 AromaticContact CE1-CD2 3.92Å; F95-Y124 HydrophobicContact CE1-CD2 3.92Å; F95-Y124 AromaticContact CE1-CE2 3.64Å; F95-Y124 HydrophobicContact CE1-CE2 3.64Å; F95-Y124 HydrophobicContact CZ-CE2 4.04Å; F95-V212 HydrophobicContact CE2-CG1 3.77Å; F95-V212 HydrophobicContact CZ-CG1 3.9Å
96W98.9Very high98.8Very high0 Ų027.1 Ų27.10%014%0.136CC..Hα-helixtrans-74.6-31.1179.1-71.1115.3000113C92 G93 V99 W100 V107 Y124 F135 L140 L142 L158 L160 I171C92-W96 VanDerWaalsContact O-CD1 3.29Å; C92-W96 PolarHBondContact O-N 3.27Å; G93-W96 PolarHBondContact O-N 2.8Å; W96-V99 HydrophobicContact CE3-CB 3.99Å; W96-V99 HydrophobicContact CE3-CG1 4.02Å; W96-V99 HydrophobicContact CE3-CG2 4.02Å; W96-V99 HydrophobicContact CZ3-CB 4.44Å; W96-V99 HydrophobicContact CZ3-CG1 4.09Å; W96-V99 HydrophobicContact CZ3-CG2 4.26Å; W96-V99 PolarHBondContact O-N 3.4Å; W96-W100 WeakPolarHBondContact O-CB 3.48Å; W96-W100 PolarHBondContact O-N 3.08Å; W96-V107 HydrophobicContact CH2-CG2 4.47Å; W96-V107 HydrophobicContact CZ3-CG2 4.37Å; W96-Y124 AromaticContact CE2-CD2 3.84Å; W96-Y124 HydrophobicContact CH2-CE2 4.34Å; W96-Y124 AromaticContact CZ2-CD2 3.57Å; W96-Y124 HydrophobicContact CZ2-CD2 3.57Å; W96-Y124 AromaticContact CZ2-CE2 3.68Å; W96-Y124 HydrophobicContact CZ2-CE2 3.68Å; W96-Y124 AromaticContact NE1-CD2 3.77Å; W96-Y124 PolarHBondContact NE1-O 2.98Å; W96-F135 HydrophobicContact CB-CD2 4.49Å; W96-F135 AromaticContact CD1-CD2 3.86Å; W96-F135 AromaticContact CD1-CE2 3.2Å; W96-F135 AromaticContact CD1-CZ 3.34Å; W96-F135 HydrophobicContact CG-CD2 4.41Å; W96-F135 AromaticContact CG-CE2 3.98Å; W96-F135 HydrophobicContact CG-CE2 3.98Å; W96-F135 HydrophobicContact CG-CZ 4.46Å; W96-F135 AromaticContact NE1-CE2 3.67Å; W96-F135 AromaticContact NE1-CZ 3.55Å; W96-L140 VanDerWaalsContact C-CD1 3.43Å; W96-L140 HydrophobicContact CB-CD1 3.91Å; W96-L142 HydrophobicContact CD2-CD1 4.46Å; W96-L142 HydrophobicContact CD2-CD2 4.18Å; W96-L142 HydrophobicContact CE3-CD1 4.36Å; W96-L142 HydrophobicContact CH2-CD1 4.07Å; W96-L142 HydrophobicContact CH2-CD2 3.98Å; W96-L142 HydrophobicContact CZ2-CD1 4.17Å; W96-L142 HydrophobicContact CZ2-CD2 3.28Å; W96-L142 HydrophobicContact CZ2-CG 4.39Å; W96-L142 HydrophobicContact CZ3-CD1 4.16Å; W96-L158 HydrophobicContact CH2-CD1 3.74Å; W96-L158 HydrophobicContact CZ2-CD1 4.28Å; W96-L160 HydrophobicContact CB-CD1 4.15Å; W96-L160 HydrophobicContact CD2-CD1 4.41Å; W96-L160 HydrophobicContact CE3-CD1 4.18Å; W96-L160 HydrophobicContact CE3-CD2 4.03Å; W96-L160 HydrophobicContact CG-CD1 4.42Å; W96-I171 HydrophobicContact CZ3-CG2 4.2Å
97E98.9Very high98.8Very high19 Ų1927.1 Ų27.19%0.08914%0.136CC..Hα-helixtrans-59.4-47.3168178.4177.6-132.700111.1L59 Q61 G93 V99 W100 E101 T138 L140L59-E97 HydrophobicContact CD2-CB 4.49Å; L59-E97 HydrophobicContact CD2-CG 4.24Å; Q61-E97 VanDerWaalsContact CD-OE1 3.24Å; Q61-E97 VanDerWaalsContact CD-OE2 3.31Å; Q61-E97 WeakPolarHBondContact CG-OE1 3.41Å; Q61-E97 PolarHBondContact NE2-OE1 3.19Å; Q61-E97 PolarHBondContact NE2-OE2 3.15Å; G93-E97 PolarHBondContact O-N 3.22Å; E97-V99 PolarHBondContact O-N 3.32Å; E97-W100 WeakPolarHBondContact O-CB 3.42Å; E97-W100 PolarHBondContact O-N 3.04Å; E97-E101 HydrophobicContact CG-CG 4.25Å; E97-E101 WeakPolarHBondContact CG-OE1 3.44Å; E97-E101 WeakPolarHBondContact O-CB 3.35Å; E97-E101 VanDerWaalsContact O-CG 3.3Å; E97-E101 WeakPolarHBondContact O-CG 3.19Å; E97-E101 PolarHBondContact O-N 2.98Å; E97-T138 HydrophobicContact CB-CG2 3.85Å; E97-T138 HydrophobicContact CG-CG2 4.43Å; E97-L140 HydrophobicContact CB-CD1 4.16Å; E97-L140 VanDerWaalsContact N-CD1 3.31Å
98M98.9Very high98.8Very high0 Ų027 Ų270%014%0.135CC..Hα-helixtrans-57.7-47173.4178.8-171.671.300111.9I57 L59 I67 A69 I82 T84 H94 F95 W100 E101 Q102 V212I57-M98 HydrophobicContact CB-SD 4.32Å; I57-M98 HydrophobicContact CG1-SD 4.31Å; I57-M98 HydrophobicContact CG2-CG 3.85Å; I57-M98 HydrophobicContact CG2-SD 4.24Å; L59-M98 HydrophobicContact CD2-CB 3.91Å; I67-M98 HydrophobicContact CD1-CB 4.07Å; I67-M98 HydrophobicContact CD1-CE 4.43Å; I67-M98 HydrophobicContact CD1-SD 3.93Å; I67-M98 HydrophobicContact CG2-SD 4.36Å; A69-M98 HydrophobicContact CB-CE 4.49Å; A69-M98 HydrophobicContact CB-SD 3.47Å; A69-M98 WeakPolarHBondContact CB-SD 3.44Å; I82-M98 HydrophobicContact CG2-CE 3.89Å; I82-M98 HydrophobicContact CG2-SD 3.7Å; T84-M98 HydrophobicContact CG2-CE 4.21Å; H94-M98 WeakPolarHBondContact O-CB 3.45Å; H94-M98 PolarHBondContact O-N 2.9Å; F95-M98 HydrophobicContact CD2-CE 4.17Å; F95-M98 HydrophobicContact CE2-CE 4.33Å; F95-M98 WeakPolarHBondContact O-CB 3.46Å; F95-M98 PolarHBondContact O-N 2.6Å; M98-W100 VanDerWaalsContact C-N 3.29Å; M98-W100 PolarHBondContact O-N 2.83Å; M98-E101 PolarHBondContact O-N 3.42Å; M98-Q102 HydrophobicContact CG-CG 4.13Å; M98-Q102 VanDerWaalsContact O-CB 3.26Å; M98-Q102 WeakPolarHBondContact O-CB 3.47Å; M98-Q102 WeakPolarHBondContact O-CG 3.45Å; M98-Q102 PolarHBondContact O-N 2.83Å; M98-V212 HydrophobicContact CE-CG1 3.83Å; M98-V212 HydrophobicContact CE-CG2 3.99Å
99V98.9Very high98.8Very high1 Ų126 Ų261%0.00613%0.13CC..Hα-helixtrans-57.7-44177.4169.20000110.8F95 W96 E97 K103 S104 V107 L160 I171 V212F95-V99 HydrophobicContact CD1-CG2 4.27Å; F95-V99 HydrophobicContact CE1-CG2 3.9Å; F95-V99 HydrophobicContact CZ-CG2 4.33Å; F95-V99 WeakPolarHBondContact O-CG2 3.45Å; F95-V99 PolarHBondContact O-N 2.79Å; W96-V99 HydrophobicContact CE3-CB 3.99Å; W96-V99 HydrophobicContact CE3-CG1 4.02Å; W96-V99 HydrophobicContact CE3-CG2 4.02Å; W96-V99 HydrophobicContact CZ3-CB 4.44Å; W96-V99 HydrophobicContact CZ3-CG1 4.09Å; W96-V99 HydrophobicContact CZ3-CG2 4.26Å; W96-V99 PolarHBondContact O-N 3.4Å; E97-V99 PolarHBondContact O-N 3.32Å; V99-K103 PolarHBondContact O-N 3.19Å; V99-S104 PolarHBondContact O-N 2.7Å; V99-S104 VanDerWaalsContact O-N 3.12Å; V99-V107 HydrophobicContact CG2-CG2 4.16Å; V99-L160 HydrophobicContact CG1-CD2 4.1Å; V99-I171 HydrophobicContact CG1-CD1 3.9Å; V99-I171 HydrophobicContact CG1-CG1 4.35Å; V99-V212 HydrophobicContact CG2-CG2 3.99Å
100W98.9Very high98.8Very high29 Ų2920.7 Ų20.711%0.1110%0.096CC..Hα-helixtrans-63.8-55.1178.1-177.7-92.2000112.3W96 E97 M98 Q102 K103 L140 L160 N162 E167 R169W96-W100 WeakPolarHBondContact O-CB 3.48Å; W96-W100 PolarHBondContact O-N 3.08Å; E97-W100 WeakPolarHBondContact O-CB 3.42Å; E97-W100 PolarHBondContact O-N 3.04Å; M98-W100 VanDerWaalsContact C-N 3.29Å; M98-W100 PolarHBondContact O-N 2.83Å; W100-Q102 VanDerWaalsContact C-N 3.34Å; W100-Q102 PolarHBondContact O-N 3.4Å; W100-K103 PolarHBondContact O-N 2.86Å; W100-K103 VanDerWaalsContact O-N 3.12Å; W100-L140 HydrophobicContact CB-CD2 4.46Å; W100-L140 HydrophobicContact CD2-CD2 4.29Å; W100-L140 HydrophobicContact CE3-CD2 4.24Å; W100-L140 HydrophobicContact CG-CD2 4.37Å; W100-L160 HydrophobicContact CB-CD2 4.2Å; W100-L160 HydrophobicContact CE3-CD2 3.91Å; W100-L160 HydrophobicContact CE3-CG 4.01Å; W100-N162 HydrophobicContact CD2-CB 4.22Å; W100-N162 HydrophobicContact CE3-CB 4.33Å; W100-N162 HydrophobicContact CH2-CB 3.54Å; W100-N162 HydrophobicContact CZ2-CB 3.37Å; W100-N162 HydrophobicContact CZ3-CB 4.01Å; W100-N162 PolarHBondContact NE1-ND2 3.31Å; W100-E167 HydrophobicContact CH2-CB 3.69Å; W100-E167 HydrophobicContact CH2-CG 3.71Å; W100-E167 WeakPolarHBondContact CH2-O 3.24Å; W100-E167 HydrophobicContact CZ2-CB 3.99Å; W100-E167 HydrophobicContact CZ2-CG 4.13Å; W100-R169 HydrophobicContact CE3-CG 4.45Å; W100-R169 HydrophobicContact CH2-CG 4.07Å; W100-R169 HydrophobicContact CZ3-CB 4.21Å; W100-R169 HydrophobicContact CZ3-CG 3.75Å; W100-R169 PolarHBondContact O-NH1 3.03Å
101E98.8Very high98.8Very high34 Ų3417.4 Ų17.416%0.1598%0.078CC..Hα-helixtrans-64.5-38.9-175.1-70.8174.3165.300112.5L59 H60 E97 M98 K103L59-E101 WeakPolarHBondContact CA-OE2 3.42Å; H60-E101 WeakPolarHBondContact CA-OE1 3.25Å; H60-E101 WeakPolarHBondContact CB-OE1 3.38Å; H60-E101 IonicContact CG-OE1 3.98Å; H60-E101 IonicContact CG-OE2 2.76Å; H60-E101 VanDerWaalsContact N-CD 3.33Å; H60-E101 PolarHBondContact N-OE1 3.04Å; H60-E101 PolarHBondContact N-OE2 3.39Å; H60-E101 VanDerWaalsContact N-OE2 3.13Å; H60-E101 IonicContact ND1-OE1 3.33Å; H60-E101 IonicContact ND1-OE2 2.78Å; E97-E101 HydrophobicContact CG-CG 4.25Å; E97-E101 WeakPolarHBondContact CG-OE1 3.44Å; E97-E101 WeakPolarHBondContact O-CB 3.35Å; E97-E101 VanDerWaalsContact O-CG 3.3Å; E97-E101 WeakPolarHBondContact O-CG 3.19Å; E97-E101 PolarHBondContact O-N 2.98Å; M98-E101 PolarHBondContact O-N 3.42Å; E101-K103 PolarHBondContact O-N 3.48Å
102Q98.8Very high98.7Very high45 Ų4521.3 Ų21.321%0.219%0.092CC..THydrogen-bonded Turntrans-81.5-1.9179.6-55.6-52.7-55.700112.5I57 I82 M98 W100 S104 G209I57-Q102 HydrophobicContact CG2-CG 4.18Å; I82-Q102 HydrophobicContact CD1-CB 3.74Å; I82-Q102 HydrophobicContact CD1-CG 3.73Å; M98-Q102 HydrophobicContact CG-CG 4.13Å; M98-Q102 VanDerWaalsContact O-CB 3.26Å; M98-Q102 WeakPolarHBondContact O-CB 3.47Å; M98-Q102 WeakPolarHBondContact O-CG 3.45Å; M98-Q102 PolarHBondContact O-N 2.83Å; W100-Q102 VanDerWaalsContact C-N 3.34Å; W100-Q102 PolarHBondContact O-N 3.4Å; Q102-S104 PolarHBondContact O-N 3.12Å; Q102-G209 WeakPolarHBondContact O-CA 3.26Å
103K98.8Very high98.6Very high140 Ų14022.6 Ų22.661%0.60910%0.099SC*.THydrogen-bonded Turntrans56.835.2178.6-53.4179.4-178.1179.90112.9V99 W100 E101 G209V99-K103 PolarHBondContact O-N 3.19Å; W100-K103 PolarHBondContact O-N 2.86Å; W100-K103 VanDerWaalsContact O-N 3.12Å; E101-K103 PolarHBondContact O-N 3.48Å; K103-G209 WeakPolarHBondContact O-CA 3.49Å; K103-G209 PolarHBondContact O-N 3.42Å
104S98.9Very high98.4Very high3 Ų327.5 Ų27.52%0.02112%0.123CC..BIsolated β-bridgetrans-69.6133.5179.2-59.80000110.1V99 Q102 I171 P210V99-S104 PolarHBondContact O-N 2.7Å; V99-S104 VanDerWaalsContact O-N 3.12Å; Q102-S104 PolarHBondContact O-N 3.12Å; S104-I171 WeakPolarHBondContact O-CD1 3.46Å; S104-P210 VanDerWaalsContact CB-O 3.31Å; S104-P210 WeakPolarHBondContact CB-O 3.43Å; S104-P210 PolarHBondContact OG-O 2.91Å
105R98.8Very high98.1Very high57 Ų5727.1 Ų27.122%0.21512%0.121CC..  trans-88.7-28.8175.1174.459.5175.8-174.4-3.9113E170 I171 L172 H208R105-E170 WeakPolarHBondContact CD-O 3.48Å; R105-E170 VanDerWaalsContact CZ-CD 3.45Å; R105-E170 IonicContact CZ-OE1 3.43Å; R105-E170 IonicContact CZ-OE2 3.61Å; R105-E170 PolarHBondContact NH1-O 2.97Å; R105-E170 IonicContact NH1-OE1 2.74Å; R105-E170 IonicContact NH1-OE2 2.77Å; R105-E170 PolarHBondContact NH1-OE2 3.21Å; R105-E170 VanDerWaalsContact NH1-OE2 3.1Å; R105-E170 IonicContact NH2-OE1 2.74Å; R105-E170 PolarHBondContact NH2-OE1 2.75Å; R105-E170 IonicContact NH2-OE2 3.14Å; R105-E170 PolarHBondContact NH2-OE2 3.06Å; R105-I171 WeakPolarHBondContact O-CA 3.27Å; R105-L172 PolarHBondContact O-N 3.35Å; R105-H208 HydrophobicContact CB-CB 3.96Å
106G98.8Very high97.7Very high0 Ų033.7 Ų33.70%015%0.15CC..EExtended strand (participates in β ladder)trans-129.6147.8-174.400000113.9L172 V211 V212G106-L172 CarbonylContact C-O 3.58Å; G106-L172 VanDerWaalsContact CA-O 3.28Å; G106-L172 WeakPolarHBondContact CA-O 3.43Å; G106-V211 WeakPolarHBondContact O-CG2 3.47Å; G106-V212 PolarHBondContact O-N 3.49Å
107V98.9Very high97.2Very high0 Ų036.8 Ų36.80%018%0.182CC..EExtended strand (participates in β ladder)trans-121.7124.3170.1178.40000108.8F95 W96 V99 I171 L172 H173 F174 V212F95-V107 HydrophobicContact CE1-CG1 4.47Å; F95-V107 HydrophobicContact CE1-CG2 4.41Å; F95-V107 HydrophobicContact CZ-CG1 3.85Å; F95-V107 HydrophobicContact CZ-CG2 4.31Å; W96-V107 HydrophobicContact CH2-CG2 4.47Å; W96-V107 HydrophobicContact CZ3-CG2 4.37Å; V99-V107 HydrophobicContact CG2-CG2 4.16Å; V107-I171 HydrophobicContact CG2-CG2 4.04Å; V107-L172 PolarHBondContact N-O 3.11Å; V107-H173 WeakPolarHBondContact O-CA 3.38Å; V107-F174 PolarHBondContact O-N 3.06Å; V107-V212 CarbonylContact C-O 3.56Å; V107-V212 WeakPolarHBondContact CA-O 3.4Å; V107-V212 HydrophobicContact CG2-CB 4.31Å
108V98.9Very high97Very high0 Ų039 Ų390%020%0.199CC..EExtended strand (participates in β ladder)trans-106.7111.4176.3179.70000109.2L110 F174 F194 V198 V211 V212 V213 H214 F225V108-L110 HydrophobicContact CG1-CD2 3.69Å; V108-L110 HydrophobicContact CG1-CG 4.01Å; V108-F174 CarbonylContact C-O 3.59Å; V108-F174 WeakPolarHBondContact CA-O 3.4Å; V108-F174 HydrophobicContact CG2-CB 4.4Å; V108-F174 HydrophobicContact CG2-CD2 4.4Å; V108-F194 HydrophobicContact CG1-CE1 3.9Å; V108-F194 HydrophobicContact CG1-CZ 4.16Å; V108-V198 HydrophobicContact CG2-CG1 3.93Å; V108-V198 HydrophobicContact CG2-CG2 4.12Å; V108-V211 HydrophobicContact CG2-CG2 3.92Å; V108-V212 PolarHBondContact N-O 3.11Å; V108-V213 HydrophobicContact CB-CB 4.45Å; V108-V213 HydrophobicContact CB-CG1 4.18Å; V108-V213 HydrophobicContact CB-CG2 4.19Å; V108-V213 HydrophobicContact CG1-CG1 4.22Å; V108-V213 HydrophobicContact CG2-CG2 4.5Å; V108-V213 WeakPolarHBondContact O-CA 3.48Å; V108-H214 PolarHBondContact O-N 2.93Å; V108-F225 HydrophobicContact CG1-CD2 4.39Å; V108-F225 HydrophobicContact CG1-CE1 4.34Å; V108-F225 HydrophobicContact CG1-CE2 4.13Å; V108-F225 HydrophobicContact CG1-CZ 4.11Å; V108-F225 HydrophobicContact CG2-CE1 4.35Å; V108-F225 HydrophobicContact CG2-CZ 4.18Å
109M98.8Very high96.8Very high0 Ų044.7 Ų44.70%023%0.229CC..EExtended strand (participates in β ladder)trans-104.7117.1178.9177164.6-179.100110.4N111 V113 C121 Y124 W125 F174 H175 Y176 H214M109-N111 WeakPolarHBondContact CE-O 3.4Å; M109-V113 HydrophobicContact CE-CG2 4.38Å; M109-C121 HydrophobicContact CE-CB 4.37Å; M109-Y124 HydrophobicContact CE-CE1 4.42Å; M109-Y124 HydrophobicContact SD-CE1 3.78Å; M109-W125 HydrophobicContact CE-CH2 3.61Å; M109-W125 HydrophobicContact CE-CZ3 3.7Å; M109-W125 HydrophobicContact SD-CE3 4.36Å; M109-W125 HydrophobicContact SD-CH2 3.67Å; M109-W125 HydrophobicContact SD-CZ3 3.54Å; M109-W125 VanDerWaalsContact SD-CZ3 3.54Å; M109-F174 PolarHBondContact N-O 2.96Å; M109-H175 CarbonylContact O-C 3.56Å; M109-H175 WeakPolarHBondContact O-CA 3.21Å; M109-Y176 PolarHBondContact O-N 3.18Å; M109-H214 WeakPolarHBondContact CB-NE2 3.46Å; M109-H214 VanDerWaalsContact CG-CE1 3.43Å; M109-H214 WeakPolarHBondContact CG-CE1 3.47Å; M109-H214 WeakPolarHBondContact CG-NE2 3.5Å
110L98.6Very high96.7Very high0 Ų046.1 Ų46.10%024%0.235CC..  trans-108.718.2-173.8-56.1172.7000113.4V108 W179 F194 V213 H214 C215 R221 F225V108-L110 HydrophobicContact CG1-CD2 3.69Å; V108-L110 HydrophobicContact CG1-CG 4.01Å; L110-W179 HydrophobicContact CD1-CZ3 4.45Å; L110-W179 HydrophobicContact CD2-CE3 4.36Å; L110-W179 HydrophobicContact CD2-CZ3 4.35Å; L110-F194 HydrophobicContact CD2-CE1 3.97Å; L110-V213 HydrophobicContact CD1-CG1 4.02Å; L110-H214 PolarHBondContact N-O 2.77Å; L110-C215 HydrophobicContact CB-CB 4.25Å; L110-R221 HydrophobicContact CB-CB 3.97Å; L110-R221 HydrophobicContact CD1-CB 4.09Å; L110-R221 WeakPolarHBondContact CD1-O 3.28Å; L110-R221 WeakPolarHBondContact O-CD 3.34Å; L110-R221 PolarHBondContact O-NE 3.18Å; L110-R221 PolarHBondContact O-NH1 2.7Å; L110-F225 HydrophobicContact CD1-CB 3.72Å; L110-F225 HydrophobicContact CD1-CG 4.28Å; L110-F225 HydrophobicContact CD2-CD2 4.43Å
111N97.4Very high96.7Very high1 Ų144.8 Ų44.81%0.00523%0.231CC..SBendtrans-138.8161.7179.172.9-79.9000111.8M109 E115 C121 H175 C215 R221M109-N111 WeakPolarHBondContact CE-O 3.4Å; N111-E115 WeakPolarHBondContact CA-OE1 3.44Å; N111-E115 WeakPolarHBondContact CB-OE1 3.04Å; N111-C121 WeakPolarHBondContact ND2-CB 2.92Å; N111-H175 PolarHBondContact O-NE2 3.41Å; N111-C215 HydrophobicContact CB-CB 4.34Å; N111-C215 WeakPolarHBondContact OD1-CA 3.19Å; N111-C215 PolarHBondContact OD1-O 2.98Å; N111-C215 VanDerWaalsContact OD1-O 3.1Å; N111-R221 VanDerWaalsContact CA-NH1 3.25Å; N111-R221 VanDerWaalsContact CB-NH1 3.28Å
112R97.1Very high96.7Very high91 Ų9143.9 Ų43.934%0.34323%0.229SC..  trans-86.8155.5165.2-68.1175.5-70.2178-5.8110.7M114 E115 T177R112-M114 WeakPolarHBondContact CB-O 3.43Å; R112-M114 PolarHBondContact O-N 3.04Å; R112-E115 HydrophobicContact CB-CG 3.98Å; R112-E115 PolarHBondContact N-OE1 2.89Å; R112-T177 VanDerWaalsContact CD-O 3.28Å; R112-T177 WeakPolarHBondContact CD-O 3.42Å; R112-T177 WeakPolarHBondContact CG-O 3.22Å
113V96.7Very high96.7Very high36 Ų3644.4 Ų44.422%0.21823%0.231CC..SBendtrans-54.3-44.5175.1173.60000110.4M109 L119 K120 C121 W125M109-V113 HydrophobicContact CE-CG2 4.38Å; V113-L119 HydrophobicContact CG1-CD2 4.2Å; V113-K120 PolarHBondContact O-N 2.84Å; V113-C121 WeakPolarHBondContact CG1-O 3.43Å; V113-C121 PolarHBondContact O-N 2.82Å; V113-W125 HydrophobicContact CG2-CH2 3.61Å; V113-W125 HydrophobicContact CG2-CZ3 4.15Å
114M95Very high96.7Very high106 Ų10637.7 Ų37.752%0.52220%0.202SC..EExtended strand (participates in β ladder)trans-116.9131.8175.1-167.9178-64.700110.8R112 S118 L119R112-M114 WeakPolarHBondContact CB-O 3.43Å; R112-M114 PolarHBondContact O-N 3.04Å; M114-S118 WeakPolarHBondContact CA-O 3.38Å; M114-L119 HydrophobicContact CE-CD2 3.94Å
115E91.8Very high96.7Very high5 Ų537.9 Ų37.92%0.02320%0.202CC..EExtended strand (participates in β ladder)trans-137.3131.8174.3-59.6177.9152.400109.2N111 R112 G117 S118 K120 D181 R221N111-E115 WeakPolarHBondContact CA-OE1 3.44Å; N111-E115 WeakPolarHBondContact CB-OE1 3.04Å; R112-E115 HydrophobicContact CB-CG 3.98Å; R112-E115 PolarHBondContact N-OE1 2.89Å; E115-G117 PolarHBondContact O-N 2.94Å; E115-S118 PolarHBondContact N-O 3.28Å; E115-S118 PolarHBondContact O-N 2.84Å; E115-K120 HydrophobicContact CB-CG 3.82Å; E115-K120 HydrophobicContact CG-CG 4.06Å; E115-D181 WeakPolarHBondContact OE2-CB 3.47Å; E115-R221 IonicContact OE1-CZ 3.52Å; E115-R221 IonicContact OE1-NH1 2.94Å; E115-R221 PolarHBondContact OE1-NH1 2.97Å; E115-R221 IonicContact OE1-NH2 3.68Å; E115-R221 PolarHBondContact OE1-NH2 2.95Å; E115-R221 IonicContact OE2-CZ 2.61Å; E115-R221 IonicContact OE2-NH1 3.23Å; E115-R221 IonicContact OE2-NH2 3.77Å; E115-R221 PolarHBondContact OE2-NH2 2.81Å
116K90.5Very high96.7Very high140 Ų14035.4 Ų35.461%0.60919%0.193SC*.THydrogen-bonded Turntrans5240.4-178.9-55.5174.3-174.51660111.9S118 D181K116-S118 VanDerWaalsContact C-N 3.27Å; K116-S118 PolarHBondContact O-N 3.29Å; K116-D181 PolarHBondContact NZ-O 2.95Å
117G90Very high96.6Very high66 Ų6641.2 Ų41.268%0.6822%0.221SC*.THydrogen-bonded Turntrans72.99.1179.400000115.6E115E115-G117 PolarHBondContact O-N 2.94Å
118S92.8Very high96.4Very high65 Ų6546.3 Ų46.346%0.45524%0.243SC..EExtended strand (participates in β ladder)trans-118.1140.4-179.9-62.90000111.7M114 E115 K116 K120M114-S118 WeakPolarHBondContact CA-O 3.38Å; E115-S118 PolarHBondContact N-O 3.28Å; E115-S118 PolarHBondContact O-N 2.84Å; K116-S118 VanDerWaalsContact C-N 3.27Å; K116-S118 PolarHBondContact O-N 3.29Å; S118-K120 PolarHBondContact O-N 3.02Å
119L95.9Very high96.1Very high120 Ų12051.2 Ų51.263%0.62827%0.266SS*.EExtended strand (participates in β ladder)trans-70.5112.3173.1-69175.7000110.8R45 V113 M114R45-L119 PolarHBondContact NH1-O 3.33Å; V113-L119 HydrophobicContact CG1-CD2 4.2Å; M114-L119 HydrophobicContact CE-CD2 3.94Å
120K97.4Very high95.8Very high30 Ų3057 Ų5713%0.1329%0.293CS..  trans-99-19.9-177.6-66.6-63.7179.1149.70113.6R45 V113 E115 S118 D181 S216R45-K120 VanDerWaalsContact CZ-O 3.3Å; R45-K120 PolarHBondContact NE-O 2.81Å; V113-K120 PolarHBondContact O-N 2.84Å; E115-K120 HydrophobicContact CB-CG 3.82Å; E115-K120 HydrophobicContact CG-CG 4.06Å; S118-K120 PolarHBondContact O-N 3.02Å; K120-D181 IonicContact NZ-OD2 3.83Å; K120-D181 PolarHBondContact NZ-OD2 2.93Å; K120-S216 PolarHBondContact O-OG 2.86Å
121C98.3Very high95.6Very high2 Ų263.3 Ų63.31%0.01432%0.32CS..SBendtrans-154148.8-179.5-173.40000108.1M109 N111 V113M109-C121 HydrophobicContact CE-CB 4.37Å; N111-C121 WeakPolarHBondContact ND2-CB 2.92Å; V113-C121 WeakPolarHBondContact CG1-O 3.43Å; V113-C121 PolarHBondContact O-N 2.82Å
122A98.5Very high95.6Very high15 Ų1568.1 Ų68.112%0.12434%0.343CS..  trans-70.9158.7167.600000110.5P87 Y124P87-A122 WeakPolarHBondContact O-CB 3.36Å; P87-A122 PolarHBondContact O-N 2.84Å; A122-Y124 VanDerWaalsContact C-N 3.34Å; A122-Y124 WeakPolarHBondContact O-CD1 3.39Å; A122-Y124 PolarHBondContact O-N 2.94Å; A122-Y124 VanDerWaalsContact O-N 3.09Å
123Q98.6Very high95.6Very high55 Ų5566.1 Ų66.126%0.25734%0.338SS..  trans-7590.1165.2-175.360.847.800107.4W125 Q127Q123-W125 PolarHBondContact NE2-O 2.61Å; Q123-Q127 HydrophobicContact CG-CG 4.32Å
124Y98.8Very high95.7Very high0 Ų068.7 Ų68.70%035%0.349CS..  trans-982.2-17270-93.8000113.4P87 F95 W96 M109 A122 H173 H214P87-Y124 HydrophobicContact CB-CD1 4.49Å; P87-Y124 HydrophobicContact CB-CG 4.49Å; P87-Y124 HydrophobicContact CG-CD1 3.95Å; P87-Y124 HydrophobicContact CG-CE1 4.47Å; P87-Y124 HydrophobicContact CG-CG 4.02Å; F95-Y124 HydrophobicContact CD1-CD2 4.09Å; F95-Y124 HydrophobicContact CD1-CE2 4.28Å; F95-Y124 AromaticContact CE1-CD2 3.92Å; F95-Y124 HydrophobicContact CE1-CD2 3.92Å; F95-Y124 AromaticContact CE1-CE2 3.64Å; F95-Y124 HydrophobicContact CE1-CE2 3.64Å; F95-Y124 HydrophobicContact CZ-CE2 4.04Å; W96-Y124 AromaticContact CE2-CD2 3.84Å; W96-Y124 HydrophobicContact CH2-CE2 4.34Å; W96-Y124 AromaticContact CZ2-CD2 3.57Å; W96-Y124 HydrophobicContact CZ2-CD2 3.57Å; W96-Y124 AromaticContact CZ2-CE2 3.68Å; W96-Y124 HydrophobicContact CZ2-CE2 3.68Å; W96-Y124 AromaticContact NE1-CD2 3.77Å; W96-Y124 PolarHBondContact NE1-O 2.98Å; M109-Y124 HydrophobicContact CE-CE1 4.42Å; M109-Y124 HydrophobicContact SD-CE1 3.78Å; A122-Y124 VanDerWaalsContact C-N 3.34Å; A122-Y124 WeakPolarHBondContact O-CD1 3.39Å; A122-Y124 PolarHBondContact O-N 2.94Å; A122-Y124 VanDerWaalsContact O-N 3.09Å; Y124-H173 AromaticContact CZ-NE2 3.66Å; Y124-H173 PolarHBondContact OH-NE2 3.1Å; Y124-H214 AromaticContact CE1-CE1 3.74Å; Y124-H214 AromaticContact CE1-NE2 3.52Å; Y124-H214 AromaticContact CZ-NE2 3.42Å; Y124-H214 PolarHBondContact OH-NE2 3.1Å
125W98.8Very high95.9Very high7 Ų764.4 Ų64.43%0.02733%0.328CS..SBendtrans-130.5151.9176.972.197.5000110.6M109 V113 Q123 L142 L158M109-W125 HydrophobicContact CE-CH2 3.61Å; M109-W125 HydrophobicContact CE-CZ3 3.7Å; M109-W125 HydrophobicContact SD-CE3 4.36Å; M109-W125 HydrophobicContact SD-CH2 3.67Å; M109-W125 HydrophobicContact SD-CZ3 3.54Å; M109-W125 VanDerWaalsContact SD-CZ3 3.54Å; V113-W125 HydrophobicContact CG2-CH2 3.61Å; V113-W125 HydrophobicContact CG2-CZ3 4.15Å; Q123-W125 PolarHBondContact NE2-O 2.61Å; W125-L142 HydrophobicContact CB-CD2 4.19Å; W125-L158 HydrophobicContact CB-CD1 4.42Å
126P98.3Very high96.2Very high4 Ų471.9 Ų71.93%0.02636%0.363CS..  trans-67.6138.1175.227-35.2000111.3K131 M133 L142 L144P126-K131 WeakPolarHBondContact CB-O 3.16Å; P126-M133 HydrophobicContact CB-CG 4.17Å; P126-L142 VanDerWaalsContact CD-CD2 3.45Å; P126-L142 HydrophobicContact CG-CD2 4.49Å; P126-L142 HydrophobicContact CG-CG 4.35Å; P126-L144 HydrophobicContact CB-CB 4.35Å; P126-L144 HydrophobicContact CG-CB 3.95Å
127Q97Very high96.5Very high123 Ų12369.4 Ų69.458%0.57536%0.356SS*.SBendtrans-94.8-8.4179.1-62.7-177.5-86.500113.5Q123Q123-Q127 HydrophobicContact CG-CG 4.32Å
128K95Very high96.9Very high107 Ų10767 Ų6747%0.46533%0.329SS..SBendtrans-140.2143.1-178.1-53.7-165.6178.1-164.70109.3E130 K131K128-E130 WeakPolarHBondContact CB-OE2 3.43Å; K128-E130 WeakPolarHBondContact CD-OE1 3.4Å; K128-E130 PolarHBondContact O-N 2.7Å; K128-K131 PolarHBondContact O-N 2.84Å
129E92.4Very high97.2Very high103 Ų10367.9 Ų67.948%0.48133%0.328SS..THydrogen-bonded Turntrans-63.3-32.7-178.1-60.8100.9163.100112.1K131 L144E129-K131 PolarHBondContact O-N 3.37Å; E129-L144 HydrophobicContact CG-CB 4.43Å; E129-L144 HydrophobicContact CG-CD2 4.34Å; E129-L144 HydrophobicContact CG-CG 4.14Å; E129-L144 WeakPolarHBondContact CG-O 3.36Å
130E92.1Very high97.3Very high121 Ų12162.3 Ų62.357%0.56530%0.299SS*.THydrogen-bonded Turntrans-79.72.3-179.479-76.3178.500114.9K128K128-E130 WeakPolarHBondContact CB-OE2 3.43Å; K128-E130 WeakPolarHBondContact CD-OE1 3.4Å; K128-E130 PolarHBondContact O-N 2.7Å
131K95.5Very high97.4Very high133 Ų13363.1 Ų63.158%0.57830%0.302SS*.  trans-129.886.1-178.7-64.5-165.5176.5-169.50110.8P126 K128 E129P126-K131 WeakPolarHBondContact CB-O 3.16Å; K128-K131 PolarHBondContact O-N 2.84Å; E129-K131 PolarHBondContact O-N 3.37Å
132E96.6Very high97.4Very high102 Ų10263 Ų6348%0.47730%0.302SS..  trans-64.5157.6171.376.6-78.2-168.700112.1I134 K141 L142E132-I134 HydrophobicContact CG-CG1 4.3Å; E132-K141 HydrophobicContact CB-CG 4.29Å; E132-K141 HydrophobicContact CG-CD 4.19Å; E132-K141 HydrophobicContact CG-CG 4.19Å; E132-L142 WeakPolarHBondContact CA-O 3.37Å
133M98.6Very high97.4Very high49 Ų4963.6 Ų63.624%0.24130%0.303CS..EExtended strand (participates in β ladder)trans-110.8128169.5-66.7-17472.600109.6P126 F135 K141 L142P126-M133 HydrophobicContact CB-CG 4.17Å; M133-F135 HydrophobicContact CB-CE2 4.16Å; M133-F135 HydrophobicContact CB-CZ 3.92Å; M133-F135 HydrophobicContact CE-CE1 3.94Å; M133-F135 HydrophobicContact CE-CZ 3.97Å; M133-F135 HydrophobicContact SD-CZ 4.34Å; M133-K141 CarbonylContact O-C 3.58Å; M133-K141 WeakPolarHBondContact O-CA 3.08Å; M133-L142 PolarHBondContact N-O 3.15Å; M133-L142 PolarHBondContact O-N 3.38Å
134I98.7Very high97.4Very high90 Ų9061.1 Ų61.146%0.46229%0.292SS..EExtended strand (participates in β ladder)trans-108.7127.2173.6-61.1173.5000108.5E132 E136 K141 L163E132-I134 HydrophobicContact CG-CG1 4.3Å; I134-E136 HydrophobicContact CG2-CG 4.28Å; I134-K141 HydrophobicContact CG1-CB 4.37Å; I134-K141 HydrophobicContact CG1-CG 4.09Å; I134-L163 HydrophobicContact CG2-CD1 4.09Å
135F98.4Very high97.4Very high15 Ų1564.6 Ų64.67%0.06631%0.31CS..EExtended strand (participates in β ladder)trans-104.588.1175.7-54.8-73.6000108.4C92 W96 M133 D137 T138 N139 L140 L142C92-F135 HydrophobicContact CB-CD1 4Å; C92-F135 HydrophobicContact CB-CE1 3.52Å; C92-F135 HydrophobicContact CB-CZ 4.42Å; W96-F135 HydrophobicContact CB-CD2 4.49Å; W96-F135 AromaticContact CD1-CD2 3.86Å; W96-F135 AromaticContact CD1-CE2 3.2Å; W96-F135 AromaticContact CD1-CZ 3.34Å; W96-F135 HydrophobicContact CG-CD2 4.41Å; W96-F135 AromaticContact CG-CE2 3.98Å; W96-F135 HydrophobicContact CG-CE2 3.98Å; W96-F135 HydrophobicContact CG-CZ 4.46Å; W96-F135 AromaticContact NE1-CE2 3.67Å; W96-F135 AromaticContact NE1-CZ 3.55Å; M133-F135 HydrophobicContact CB-CE2 4.16Å; M133-F135 HydrophobicContact CB-CZ 3.92Å; M133-F135 HydrophobicContact CE-CE1 3.94Å; M133-F135 HydrophobicContact CE-CZ 3.97Å; M133-F135 HydrophobicContact SD-CZ 4.34Å; F135-D137 PolarHBondContact O-N 3.34Å; F135-T138 WeakPolarHBondContact CB-OG1 3.44Å; F135-T138 CarbonylContact O-C 3.52Å; F135-T138 PolarHBondContact O-N 2.8Å; F135-T138 VanDerWaalsContact O-N 3.16Å; F135-N139 PolarHBondContact O-N 3.22Å; F135-L140 HydrophobicContact CD2-CB 4.32Å; F135-L140 PolarHBondContact N-O 2.9Å; F135-L140 PolarHBondContact O-N 3.48Å; F135-L142 HydrophobicContact CE2-CB 3.93Å; F135-L142 HydrophobicContact CE2-CD2 4.35Å
136E98Very high97.4Very high163 Ų16366.7 Ų66.776%0.76233%0.326SS*.THydrogen-bonded Turntrans-59.4-34.8-175.1-63.4-176174.400112.7I134 T138 N139I134-E136 HydrophobicContact CG2-CG 4.28Å; E136-T138 PolarHBondContact O-N 3.34Å; E136-N139 PolarHBondContact O-N 3.28Å
137D97.3Very high97.4Very high88 Ų8870.4 Ų70.447%0.47134%0.343SS..THydrogen-bonded Turntrans-63.2-25.8179.459.3-36.9000113.2F135F135-D137 PolarHBondContact O-N 3.34Å
138T97.9Very high97.4Very high16 Ų1668.1 Ų68.110%0.09833%0.334CS..THydrogen-bonded Turntrans-122.24.1-177.956.30000113.9G93 E97 F135 E136 L140G93-T138 VanDerWaalsContact C-CG2 3.44Å; G93-T138 WeakPolarHBondContact CA-OG1 3.09Å; E97-T138 HydrophobicContact CB-CG2 3.85Å; E97-T138 HydrophobicContact CG-CG2 4.43Å; F135-T138 WeakPolarHBondContact CB-OG1 3.44Å; F135-T138 CarbonylContact O-C 3.52Å; F135-T138 PolarHBondContact O-N 2.8Å; F135-T138 VanDerWaalsContact O-N 3.16Å; E136-T138 PolarHBondContact O-N 3.34Å; T138-L140 VanDerWaalsContact C-N 3.3Å; T138-L140 PolarHBondContact O-N 3.31Å
139N98.3Very high97.4Very high82 Ų8266.9 Ų66.944%0.43933%0.332SS..THydrogen-bonded Turntrans50.146.4-176.3-67.9-58.8000113.7F135 E136 L163F135-N139 PolarHBondContact O-N 3.22Å; E136-N139 PolarHBondContact O-N 3.28Å; N139-L163 HydrophobicContact CB-CB 4.41Å; N139-L163 WeakPolarHBondContact O-CB 3.38Å; N139-L163 PolarHBondContact O-N 3.25Å
140L98.8Very high97.5Very high3 Ų363.9 Ų63.92%0.01632%0.317CS..EExtended strand (participates in β ladder)trans-119.2142.5177.7-71.6165.9000110.4W96 E97 W100 F135 T138 L160 E161 N162W96-L140 VanDerWaalsContact C-CD1 3.43Å; W96-L140 HydrophobicContact CB-CD1 3.91Å; E97-L140 HydrophobicContact CB-CD1 4.16Å; E97-L140 VanDerWaalsContact N-CD1 3.31Å; W100-L140 HydrophobicContact CB-CD2 4.46Å; W100-L140 HydrophobicContact CD2-CD2 4.29Å; W100-L140 HydrophobicContact CE3-CD2 4.24Å; W100-L140 HydrophobicContact CG-CD2 4.37Å; F135-L140 HydrophobicContact CD2-CB 4.32Å; F135-L140 PolarHBondContact N-O 2.9Å; F135-L140 PolarHBondContact O-N 3.48Å; T138-L140 VanDerWaalsContact C-N 3.3Å; T138-L140 PolarHBondContact O-N 3.31Å; L140-L160 HydrophobicContact CB-CD1 4.22Å; L140-L160 HydrophobicContact CD2-CD1 4.12Å; L140-L160 HydrophobicContact CD2-CG 4.33Å; L140-E161 WeakPolarHBondContact CA-O 3.3Å; L140-E161 WeakPolarHBondContact CD2-O 3.37Å; L140-N162 HydrophobicContact CD2-CB 4.21Å
141K98.8Very high97.6Very high48 Ų4858.7 Ų58.721%0.20930%0.295CS..EExtended strand (participates in β ladder)trans-117.8140.6170.4179.1-175.572.1-172.80109.2E132 M133 I134 E161 L163E132-K141 HydrophobicContact CB-CG 4.29Å; E132-K141 HydrophobicContact CG-CD 4.19Å; E132-K141 HydrophobicContact CG-CG 4.19Å; M133-K141 CarbonylContact O-C 3.58Å; M133-K141 WeakPolarHBondContact O-CA 3.08Å; I134-K141 HydrophobicContact CG1-CB 4.37Å; I134-K141 HydrophobicContact CG1-CG 4.09Å; K141-E161 HydrophobicContact CB-CB 4.36Å; K141-E161 WeakPolarHBondContact CE-OE2 3.02Å; K141-E161 PolarHBondContact N-O 2.85Å; K141-E161 IonicContact NZ-OE1 2.8Å; K141-E161 IonicContact NZ-OE2 3.67Å; K141-E161 PolarHBondContact NZ-OE2 2.92Å; K141-E161 PolarHBondContact O-N 3.34Å; K141-L163 HydrophobicContact CB-CD1 4.2Å; K141-L163 HydrophobicContact CB-CD2 3.79Å; K141-L163 HydrophobicContact CB-CG 4.11Å; K141-L163 HydrophobicContact CD-CD2 4.47Å
142L98.9Very high97.5Very high0 Ų052.9 Ų52.90%027%0.269CS..EExtended strand (participates in β ladder)trans-128.4126.9179.8-17474.6000110.2W96 W125 P126 E132 M133 F135 L158 E159 L160W96-L142 HydrophobicContact CD2-CD1 4.46Å; W96-L142 HydrophobicContact CD2-CD2 4.18Å; W96-L142 HydrophobicContact CE3-CD1 4.36Å; W96-L142 HydrophobicContact CH2-CD1 4.07Å; W96-L142 HydrophobicContact CH2-CD2 3.98Å; W96-L142 HydrophobicContact CZ2-CD1 4.17Å; W96-L142 HydrophobicContact CZ2-CD2 3.28Å; W96-L142 HydrophobicContact CZ2-CG 4.39Å; W96-L142 HydrophobicContact CZ3-CD1 4.16Å; W125-L142 HydrophobicContact CB-CD2 4.19Å; P126-L142 VanDerWaalsContact CD-CD2 3.45Å; P126-L142 HydrophobicContact CG-CD2 4.49Å; P126-L142 HydrophobicContact CG-CG 4.35Å; E132-L142 WeakPolarHBondContact CA-O 3.37Å; M133-L142 PolarHBondContact N-O 3.15Å; M133-L142 PolarHBondContact O-N 3.38Å; F135-L142 HydrophobicContact CE2-CB 3.93Å; F135-L142 HydrophobicContact CE2-CD2 4.35Å; L142-L158 HydrophobicContact CD1-CB 3.94Å; L142-L158 HydrophobicContact CD1-CD1 4.28Å; L142-L158 HydrophobicContact CD2-CD1 4.47Å; L142-E159 WeakPolarHBondContact CA-O 3.43Å; L142-L160 HydrophobicContact CD1-CB 4.13Å; L142-L160 HydrophobicContact CD1-CD1 4.03Å
143T98.8Very high97.5Very high26 Ų2648.2 Ų48.216%0.1625%0.247CC..EExtended strand (participates in β ladder)trans-121.9139-178.3-48.60000109.8I145 L158 E159T143-I145 HydrophobicContact CG2-CD1 4.23Å; T143-L158 CarbonylContact O-C 3.44Å; T143-L158 VanDerWaalsContact O-CA 3.32Å; T143-L158 WeakPolarHBondContact O-CA 3.45Å; T143-E159 PolarHBondContact N-O 2.8Å; T143-E159 PolarHBondContact O-N 2.9Å
144L98.8Very high97.5Very high3 Ų346.2 Ų46.22%0.01624%0.238CC..EExtended strand (participates in β ladder)trans-80.5126.3168.5178.863.5000108.7P126 E129 S146 R156 L158P126-L144 HydrophobicContact CB-CB 4.35Å; P126-L144 HydrophobicContact CG-CB 3.95Å; E129-L144 HydrophobicContact CG-CB 4.43Å; E129-L144 HydrophobicContact CG-CD2 4.34Å; E129-L144 HydrophobicContact CG-CG 4.14Å; E129-L144 WeakPolarHBondContact CG-O 3.36Å; L144-S146 WeakPolarHBondContact CD1-O 3.38Å; L144-R156 HydrophobicContact CD1-CB 3.9Å; L144-R156 HydrophobicContact CD1-CG 4.31Å; L144-L158 HydrophobicContact CB-CD2 4.37Å; L144-L158 HydrophobicContact CD1-CD2 3.73Å
145I98.6Very high97.5Very high73 Ų7343.5 Ų43.537%0.37423%0.225SC..EExtended strand (participates in β ladder)trans-101.2-43.7179.6-56-56.9000111.1T143 Q157 E159T143-I145 HydrophobicContact CG2-CD1 4.23Å; I145-Q157 HydrophobicContact CB-CB 4.27Å; I145-Q157 HydrophobicContact CB-CG 4.28Å; I145-Q157 WeakPolarHBondContact CB-O 3.33Å; I145-Q157 PolarHBondContact N-O 3Å; I145-E159 HydrophobicContact CD1-CB 3.8Å; I145-E159 HydrophobicContact CG1-CB 3.85Å
146S98.3Very high97.5Very high52 Ų5244 Ų4436%0.36423%0.227SC..EExtended strand (participates in β ladder)trans-159.7159175.859.60000111.4L144 R156 Q157L144-S146 WeakPolarHBondContact CD1-O 3.38Å; S146-R156 CarbonylContact O-C 3.5Å; S146-R156 VanDerWaalsContact O-CA 3.31Å; S146-R156 WeakPolarHBondContact O-CA 3.19Å; S146-Q157 PolarHBondContact N-O 2.95Å; S146-Q157 PolarHBondContact O-N 3.2Å; S146-Q157 WeakPolarHBondContact OG-CB 3.33Å; S146-Q157 PolarHBondContact OG-OE1 3.21Å
147E97.6Very high97.5Very high82 Ų8239.1 Ų39.138%0.38320%0.204SC..EExtended strand (participates in β ladder)trans-135136.2171.159.7174.9-158.400112.2T154 V155 R156E147-T154 HydrophobicContact CB-CG2 4.44Å; E147-V155 WeakPolarHBondContact CA-O 3.33Å; E147-R156 HydrophobicContact CB-CG 4.04Å; E147-R156 IonicContact OE2-NE 2.83Å
148D97.2Very high97.6Very high74 Ų7434.9 Ų34.940%0.39618%0.181SC..EExtended strand (participates in β ladder)trans-115.1104.8170.6-177.819.3000108.5K150 T154 V155D148-K150 VanDerWaalsContact CG-NZ 3.26Å; D148-K150 WeakPolarHBondContact OD1-CE 3.49Å; D148-K150 IonicContact OD1-NZ 2.73Å; D148-K150 PolarHBondContact OD1-NZ 3.11Å; D148-K150 WeakPolarHBondContact OD2-CE 3.47Å; D148-K150 IonicContact OD2-NZ 3Å; D148-K150 PolarHBondContact OD2-NZ 3.22Å; D148-T154 WeakPolarHBondContact O-CA 3.31Å; D148-V155 PolarHBondContact N-O 3.2Å; D148-V155 PolarHBondContact O-N 3.21Å
149I96.3Very high97.6Very high81 Ų8137.3 Ų37.342%0.41519%0.192SC..EExtended strand (participates in β ladder)trans-94120.5-176.9-57.1172.5000109.1T154 P301I149-T154 HydrophobicContact CG1-CG2 3.8Å; I149-P301 HydrophobicContact CG2-CB 4.18Å; I149-P301 HydrophobicContact CG2-CG 3.93Å
150K94.6Very high97.7Very high40 Ų4033.4 Ų33.417%0.17417%0.171CC..  trans-107.8174.4170.2-56.8-50.6-173-152.50110.7D148 Y152 Y153 E297D148-K150 VanDerWaalsContact CG-NZ 3.26Å; D148-K150 WeakPolarHBondContact OD1-CE 3.49Å; D148-K150 IonicContact OD1-NZ 2.73Å; D148-K150 PolarHBondContact OD1-NZ 3.11Å; D148-K150 WeakPolarHBondContact OD2-CE 3.47Å; D148-K150 IonicContact OD2-NZ 3Å; D148-K150 PolarHBondContact OD2-NZ 3.22Å; K150-Y152 VanDerWaalsContact C-N 3.31Å; K150-Y152 PolarHBondContact O-N 3Å; K150-Y153 CarbonylContact C-O 3.58Å; K150-Y153 WeakPolarHBondContact CA-O 3.42Å; K150-Y153 HydrophobicContact CB-CD1 3.87Å; K150-Y153 HydrophobicContact CB-CE1 3.74Å; K150-Y153 HydrophobicContact CB-CE2 4.43Å; K150-Y153 HydrophobicContact CB-CG 4.31Å; K150-Y153 WeakPolarHBondContact CB-O 3.4Å; K150-Y153 HydrophobicContact CG-CD1 4.27Å; K150-Y153 HydrophobicContact CG-CD2 4.39Å; K150-Y153 HydrophobicContact CG-CE1 3.74Å; K150-Y153 HydrophobicContact CG-CE2 3.86Å; K150-Y153 PolarHBondContact N-O 2.9Å; K150-E297 HydrophobicContact CB-CB 4.27Å; K150-E297 WeakPolarHBondContact CB-O 3.28Å; K150-E297 HydrophobicContact CG-CB 4.48Å
151S93.2Very high97.7Very high13 Ų1334.8 Ų34.89%0.09118%0.177CC..SBendtrans-59.5-35.9-176.763.90000114.5H296 E297 L299 P302S151-H296 WeakPolarHBondContact CB-O 3.22Å; S151-H296 PolarHBondContact OG-O 2.74Å; S151-E297 PolarHBondContact N-O 3.35Å; S151-E297 WeakPolarHBondContact OG-CA 3.41Å; S151-L299 VanDerWaalsContact CB-O 3.3Å; S151-L299 WeakPolarHBondContact CB-O 3.28Å; S151-P302 WeakPolarHBondContact O-CD 3.37Å
152Y93.7Very high97.7Very high10 Ų1033.6 Ų33.64%0.03917%0.173CC..SBendtrans-126.5-0.8-176.564.4-88.8000115.4K150 Y176 T177 T178 S190 N193 F194 S295 E297K150-Y152 VanDerWaalsContact C-N 3.31Å; K150-Y152 PolarHBondContact O-N 3Å; Y152-Y176 HydrophobicContact CD2-CD2 4.39Å; Y152-Y176 HydrophobicContact CD2-CE1 4.37Å; Y152-Y176 AromaticContact CD2-CE2 3.75Å; Y152-Y176 HydrophobicContact CD2-CE2 3.75Å; Y152-Y176 AromaticContact CD2-CZ 3.73Å; Y152-Y176 HydrophobicContact CE2-CE2 4.03Å; Y152-T177 PolarHBondContact O-N 3.34Å; Y152-T177 PolarHBondContact O-OG1 2.97Å; Y152-T177 VanDerWaalsContact O-OG1 3.08Å; Y152-T178 VanDerWaalsContact CB-OG1 3.32Å; Y152-T178 WeakPolarHBondContact CB-OG1 3.32Å; Y152-S190 VanDerWaalsContact CE2-O 3.28Å; Y152-S190 WeakPolarHBondContact CE2-O 3.19Å; Y152-N193 WeakPolarHBondContact OH-CB 3.49Å; Y152-N193 PolarHBondContact OH-ND2 3.25Å; Y152-F194 HydrophobicContact CE2-CB 4.23Å; Y152-S295 VanDerWaalsContact CE1-CB 3.46Å; Y152-S295 WeakPolarHBondContact CE1-O 3.38Å; Y152-S295 WeakPolarHBondContact CE1-OG 3.05Å; Y152-S295 WeakPolarHBondContact OH-CB 3.33Å; Y152-S295 PolarHBondContact OH-OG 3.17Å; Y152-E297 HydrophobicContact CE1-CB 3.71Å
153Y96.6Very high97.6Very high4 Ų436.5 Ų36.52%0.01619%0.188CC..EExtended strand (participates in β ladder)trans-149.3162.5174.171.1-82000111.9K150 V155 H175 F194 K197 E297K150-Y153 CarbonylContact C-O 3.58Å; K150-Y153 WeakPolarHBondContact CA-O 3.42Å; K150-Y153 HydrophobicContact CB-CD1 3.87Å; K150-Y153 HydrophobicContact CB-CE1 3.74Å; K150-Y153 HydrophobicContact CB-CE2 4.43Å; K150-Y153 HydrophobicContact CB-CG 4.31Å; K150-Y153 WeakPolarHBondContact CB-O 3.4Å; K150-Y153 HydrophobicContact CG-CD1 4.27Å; K150-Y153 HydrophobicContact CG-CD2 4.39Å; K150-Y153 HydrophobicContact CG-CE1 3.74Å; K150-Y153 HydrophobicContact CG-CE2 3.86Å; K150-Y153 PolarHBondContact N-O 2.9Å; Y153-V155 HydrophobicContact CD2-CG2 3.81Å; Y153-V155 HydrophobicContact CE2-CG2 3.69Å; Y153-H175 CarbonylContact C-O 3.57Å; Y153-H175 WeakPolarHBondContact CA-O 3.46Å; Y153-H175 WeakPolarHBondContact CB-O 3.45Å; Y153-F194 HydrophobicContact CD1-CD2 4.35Å; Y153-F194 AromaticContact CD2-CD2 3.91Å; Y153-F194 HydrophobicContact CD2-CD2 3.91Å; Y153-F194 HydrophobicContact CD2-CE2 4.21Å; Y153-F194 AromaticContact CG-CD2 3.72Å; Y153-F194 HydrophobicContact CG-CD2 3.72Å; Y153-F194 HydrophobicContact CG-CE2 4.21Å; Y153-K197 HydrophobicContact CE2-CG 4.5Å; Y153-E297 HydrophobicContact CE1-CB 4.11Å; Y153-E297 PolarHBondContact OH-OE2 2.92Å
154T98Very high97.6Very high8 Ų840.3 Ų40.35%0.04921%0.211CC..EExtended strand (participates in β ladder)trans-129.9136.5172.1-530000108.5E147 D148 I149 R156 H175E147-T154 HydrophobicContact CB-CG2 4.44Å; D148-T154 WeakPolarHBondContact O-CA 3.31Å; I149-T154 HydrophobicContact CG1-CG2 3.8Å; T154-R156 HydrophobicContact CG2-CG 3.99Å; T154-H175 PolarHBondContact N-O 3.41Å; T154-H175 PolarHBondContact O-N 3.21Å
155V98.6Very high97.5Very high32 Ų3244.1 Ų44.119%0.19424%0.235CC..EExtended strand (participates in β ladder)trans-108126169.3-174.40000108E147 D148 Y153 H173 F174E147-V155 WeakPolarHBondContact CA-O 3.33Å; D148-V155 PolarHBondContact N-O 3.2Å; D148-V155 PolarHBondContact O-N 3.21Å; Y153-V155 HydrophobicContact CD2-CG2 3.81Å; Y153-V155 HydrophobicContact CE2-CG2 3.69Å; V155-H173 CarbonylContact C-O 3.58Å; V155-H173 WeakPolarHBondContact CA-O 3.33Å; V155-F174 HydrophobicContact CG1-CD1 4.16Å; V155-F174 HydrophobicContact CG1-CE1 3.96Å; V155-F174 HydrophobicContact CG2-CD1 3.9Å; V155-F174 HydrophobicContact CG2-CE1 4.2Å
156R98.8Very high97.5Very high25 Ų2548.2 Ų48.29%0.09425%0.253CS..EExtended strand (participates in β ladder)trans-116.1143.4174.2-47.9-176.7175.681.66110.3L144 S146 E147 T154 L158 H173 H175L144-R156 HydrophobicContact CD1-CB 3.9Å; L144-R156 HydrophobicContact CD1-CG 4.31Å; S146-R156 CarbonylContact O-C 3.5Å; S146-R156 VanDerWaalsContact O-CA 3.31Å; S146-R156 WeakPolarHBondContact O-CA 3.19Å; E147-R156 HydrophobicContact CB-CG 4.04Å; E147-R156 IonicContact OE2-NE 2.83Å; T154-R156 HydrophobicContact CG2-CG 3.99Å; R156-L158 HydrophobicContact CB-CD2 4.35Å; R156-H173 HydrophobicContact CB-CB 4.12Å; R156-H173 PolarHBondContact N-O 2.79Å; R156-H173 PolarHBondContact NH1-CE1 3.05Å; R156-H173 PolarHBondContact NH1-ND1 2.76Å; R156-H173 VanDerWaalsContact NH1-ND1 3.17Å; R156-H173 PolarHBondContact O-N 3.44Å; R156-H175 PolarHBondContact NH1-ND1 3.06Å
157Q98.8Very high97.5Very high61 Ų6149.9 Ų49.929%0.28526%0.255SS..EExtended strand (participates in β ladder)trans-97.8122165.4-167.3176.547.200107.8I145 S146 E170 L172I145-Q157 HydrophobicContact CB-CB 4.27Å; I145-Q157 HydrophobicContact CB-CG 4.28Å; I145-Q157 WeakPolarHBondContact CB-O 3.33Å; I145-Q157 PolarHBondContact N-O 3Å; S146-Q157 PolarHBondContact N-O 2.95Å; S146-Q157 PolarHBondContact O-N 3.2Å; S146-Q157 WeakPolarHBondContact OG-CB 3.33Å; S146-Q157 PolarHBondContact OG-OE1 3.21Å; Q157-E170 HydrophobicContact CG-CG 3.56Å; Q157-E170 PolarHBondContact NE2-OE1 2.79Å; Q157-L172 HydrophobicContact CG-CD2 4.42Å
158L98.9Very high97.6Very high0 Ų049.2 Ų49.20%026%0.256CS..EExtended strand (participates in β ladder)trans-116.4145.4179.3-56.2173.9000109.1W96 W125 L142 T143 L144 R156 E170 I171 H173W96-L158 HydrophobicContact CH2-CD1 3.74Å; W96-L158 HydrophobicContact CZ2-CD1 4.28Å; W125-L158 HydrophobicContact CB-CD1 4.42Å; L142-L158 HydrophobicContact CD1-CB 3.94Å; L142-L158 HydrophobicContact CD1-CD1 4.28Å; L142-L158 HydrophobicContact CD2-CD1 4.47Å; T143-L158 CarbonylContact O-C 3.44Å; T143-L158 VanDerWaalsContact O-CA 3.32Å; T143-L158 WeakPolarHBondContact O-CA 3.45Å; L144-L158 HydrophobicContact CB-CD2 4.37Å; L144-L158 HydrophobicContact CD1-CD2 3.73Å; R156-L158 HydrophobicContact CB-CD2 4.35Å; L158-E170 CarbonylContact O-C 3.58Å; L158-E170 VanDerWaalsContact O-CA 3.29Å; L158-E170 WeakPolarHBondContact O-CA 3.44Å; L158-I171 HydrophobicContact CB-CB 4.39Å; L158-I171 PolarHBondContact N-O 3.11Å; L158-I171 PolarHBondContact O-N 2.83Å; L158-H173 HydrophobicContact CD1-CB 3.87Å; L158-H173 HydrophobicContact CG-CB 4.38Å
159E98.9Very high97.7Very high67 Ų6748.3 Ų48.331%0.31325%0.247SC..EExtended strand (participates in β ladder)trans-105.5119.2167.1-175.7177.179.500108.8L142 T143 I145 T168L142-E159 WeakPolarHBondContact CA-O 3.43Å; T143-E159 PolarHBondContact N-O 2.8Å; T143-E159 PolarHBondContact O-N 2.9Å; I145-E159 HydrophobicContact CD1-CB 3.8Å; I145-E159 HydrophobicContact CG1-CB 3.85Å; E159-T168 HydrophobicContact CG-CG2 4.29Å
160L98.9Very high97.8Very high0 Ų047.6 Ų47.60%024%0.242CC..EExtended strand (participates in β ladder)trans-102.1118.4173.7-178.265.9000108.4W96 V99 W100 L140 L142 T168 R169 I171W96-L160 HydrophobicContact CB-CD1 4.15Å; W96-L160 HydrophobicContact CD2-CD1 4.41Å; W96-L160 HydrophobicContact CE3-CD1 4.18Å; W96-L160 HydrophobicContact CE3-CD2 4.03Å; W96-L160 HydrophobicContact CG-CD1 4.42Å; V99-L160 HydrophobicContact CG1-CD2 4.1Å; W100-L160 HydrophobicContact CB-CD2 4.2Å; W100-L160 HydrophobicContact CE3-CD2 3.91Å; W100-L160 HydrophobicContact CE3-CG 4.01Å; L140-L160 HydrophobicContact CB-CD1 4.22Å; L140-L160 HydrophobicContact CD2-CD1 4.12Å; L140-L160 HydrophobicContact CD2-CG 4.33Å; L142-L160 HydrophobicContact CD1-CB 4.13Å; L142-L160 HydrophobicContact CD1-CD1 4.03Å; L160-T168 CarbonylContact O-C 3.59Å; L160-T168 WeakPolarHBondContact O-CA 3.35Å; L160-R169 PolarHBondContact N-O 2.97Å; L160-R169 PolarHBondContact O-N 3.48Å; L160-I171 HydrophobicContact CB-CG1 3.91Å; L160-I171 HydrophobicContact CD2-CG1 4.37Å
161E98.9Very high98Very high32 Ų3245.8 Ų45.815%0.1524%0.235CC..EExtended strand (participates in β ladder)trans-110.9130.5179.8-177.1-179.514600110.4L140 K141 L163 T168L140-E161 WeakPolarHBondContact CA-O 3.3Å; L140-E161 WeakPolarHBondContact CD2-O 3.37Å; K141-E161 HydrophobicContact CB-CB 4.36Å; K141-E161 WeakPolarHBondContact CE-OE2 3.02Å; K141-E161 PolarHBondContact N-O 2.85Å; K141-E161 IonicContact NZ-OE1 2.8Å; K141-E161 IonicContact NZ-OE2 3.67Å; K141-E161 PolarHBondContact NZ-OE2 2.92Å; K141-E161 PolarHBondContact O-N 3.34Å; E161-L163 HydrophobicContact CG-CD2 4.34Å; E161-L163 PolarHBondContact O-N 2.83Å; E161-T168 HydrophobicContact CB-CG2 3.95Å; E161-T168 HydrophobicContact CG-CG2 3.83Å
162N98.6Very high98.3Very high22 Ų2246.2 Ų46.212%0.11824%0.236CC..EExtended strand (participates in β ladder)trans-84108.5167-175.6-41.4000109.7W100 L140 T164 T165 Q166 E167W100-N162 HydrophobicContact CD2-CB 4.22Å; W100-N162 HydrophobicContact CE3-CB 4.33Å; W100-N162 HydrophobicContact CH2-CB 3.54Å; W100-N162 HydrophobicContact CZ2-CB 3.37Å; W100-N162 HydrophobicContact CZ3-CB 4.01Å; W100-N162 PolarHBondContact NE1-ND2 3.31Å; L140-N162 HydrophobicContact CD2-CB 4.21Å; N162-T164 PolarHBondContact O-N 2.79Å; N162-T164 WeakPolarHBondContact OD1-CA 3.46Å; N162-T164 WeakPolarHBondContact OD1-CB 3.45Å; N162-T164 PolarHBondContact OD1-N 3.12Å; N162-T165 WeakPolarHBondContact CB-OG1 3.32Å; N162-T165 PolarHBondContact O-N 3.33Å; N162-T165 PolarHBondContact OD1-N 2.88Å; N162-T165 VanDerWaalsContact OD1-N 3.15Å; N162-Q166 VanDerWaalsContact O-CA 3.23Å; N162-Q166 WeakPolarHBondContact O-CA 3.33Å; N162-Q166 PolarHBondContact O-N 2.64Å; N162-E167 PolarHBondContact N-O 2.97Å
163L98.4Very high98.5Very high62 Ų6245.8 Ų45.833%0.32523%0.234SC..THydrogen-bonded Turntrans-68.8-16.8-175.9-61.4175.4000112.9I134 N139 K141 E161I134-L163 HydrophobicContact CG2-CD1 4.09Å; N139-L163 HydrophobicContact CB-CB 4.41Å; N139-L163 WeakPolarHBondContact O-CB 3.38Å; N139-L163 PolarHBondContact O-N 3.25Å; K141-L163 HydrophobicContact CB-CD1 4.2Å; K141-L163 HydrophobicContact CB-CD2 3.79Å; K141-L163 HydrophobicContact CB-CG 4.11Å; K141-L163 HydrophobicContact CD-CD2 4.47Å; E161-L163 HydrophobicContact CG-CD2 4.34Å; E161-L163 PolarHBondContact O-N 2.83Å
164T97.5Very high98.6Very high105 Ų10545.8 Ų45.864%0.64423%0.234SC*.THydrogen-bonded Turntrans-78.4-41.1175.9-49.30000111.3N162N162-T164 PolarHBondContact O-N 2.79Å; N162-T164 WeakPolarHBondContact OD1-CA 3.46Å; N162-T164 WeakPolarHBondContact OD1-CB 3.45Å; N162-T164 PolarHBondContact OD1-N 3.12Å
165T98Very high98.6Very high84 Ų8446 Ų4652%0.51523%0.234SC..THydrogen-bonded Turntrans-105.2-13.1-17565.10000114.2N162 E167N162-T165 WeakPolarHBondContact CB-OG1 3.32Å; N162-T165 PolarHBondContact O-N 3.33Å; N162-T165 PolarHBondContact OD1-N 2.88Å; N162-T165 VanDerWaalsContact OD1-N 3.15Å; T165-E167 PolarHBondContact O-N 2.89Å; T165-E167 WeakPolarHBondContact OG1-CB 3.21Å; T165-E167 PolarHBondContact OG1-N 2.97Å
166Q98.1Very high98.6Very high158 Ų15844.5 Ų44.574%0.73823%0.225SC*.  trans6013.3-170.6-54.8178.82.900114.3N162N162-Q166 VanDerWaalsContact O-CA 3.23Å; N162-Q166 WeakPolarHBondContact O-CA 3.33Å; N162-Q166 PolarHBondContact O-N 2.64Å
167E98.6Very high98.4Very high87 Ų8744.9 Ų44.941%0.40723%0.23SC..  trans-72.3135.6171.7-176.2-166.7154.200109.1W100 N162 T165 R169W100-E167 HydrophobicContact CH2-CB 3.69Å; W100-E167 HydrophobicContact CH2-CG 3.71Å; W100-E167 WeakPolarHBondContact CH2-O 3.24Å; W100-E167 HydrophobicContact CZ2-CB 3.99Å; W100-E167 HydrophobicContact CZ2-CG 4.13Å; N162-E167 PolarHBondContact N-O 2.97Å; T165-E167 PolarHBondContact O-N 2.89Å; T165-E167 WeakPolarHBondContact OG1-CB 3.21Å; T165-E167 PolarHBondContact OG1-N 2.97Å; E167-R169 IonicContact OE1-CZ 3.81Å; E167-R169 VanDerWaalsContact OE1-CZ 3.23Å; E167-R169 IonicContact OE1-NE 2.79Å; E167-R169 PolarHBondContact OE1-NE 2.7Å; E167-R169 IonicContact OE1-NH2 3.58Å; E167-R169 PolarHBondContact OE1-NH2 3.3Å; E167-R169 IonicContact OE2-NH2 2.64Å
168T98.7Very high98.2Very high68 Ų6844.2 Ų44.242%0.41723%0.23SC..EExtended strand (participates in β ladder)trans-112.1148.3173.961.40000110.9E159 L160 E161E159-T168 HydrophobicContact CG-CG2 4.29Å; L160-T168 CarbonylContact O-C 3.59Å; L160-T168 WeakPolarHBondContact O-CA 3.35Å; E161-T168 HydrophobicContact CB-CG2 3.95Å; E161-T168 HydrophobicContact CG-CG2 3.83Å
169R98.8Very high97.8Very high56 Ų5644.3 Ų44.321%0.21123%0.231CC..EExtended strand (participates in β ladder)trans-137.2134.6173.3-64.1-179.2-171.6156.610.2109.4W100 L160 E167 I171W100-R169 HydrophobicContact CE3-CG 4.45Å; W100-R169 HydrophobicContact CH2-CG 4.07Å; W100-R169 HydrophobicContact CZ3-CB 4.21Å; W100-R169 HydrophobicContact CZ3-CG 3.75Å; W100-R169 PolarHBondContact O-NH1 3.03Å; L160-R169 PolarHBondContact N-O 2.97Å; L160-R169 PolarHBondContact O-N 3.48Å; E167-R169 IonicContact OE1-CZ 3.81Å; E167-R169 VanDerWaalsContact OE1-CZ 3.23Å; E167-R169 IonicContact OE1-NE 2.79Å; E167-R169 PolarHBondContact OE1-NE 2.7Å; E167-R169 IonicContact OE1-NH2 3.58Å; E167-R169 PolarHBondContact OE1-NH2 3.3Å; E167-R169 IonicContact OE2-NH2 2.64Å; R169-I171 HydrophobicContact CB-CD1 4.49Å
170E98.8Very high97.1Very high65 Ų6543.6 Ų43.630%0.30423%0.232SC..EExtended strand (participates in β ladder)trans-80.7132.8170.2174.8-148.115300109.7R105 Q157 L158 L172R105-E170 WeakPolarHBondContact CD-O 3.48Å; R105-E170 VanDerWaalsContact CZ-CD 3.45Å; R105-E170 IonicContact CZ-OE1 3.43Å; R105-E170 IonicContact CZ-OE2 3.61Å; R105-E170 PolarHBondContact NH1-O 2.97Å; R105-E170 IonicContact NH1-OE1 2.74Å; R105-E170 IonicContact NH1-OE2 2.77Å; R105-E170 PolarHBondContact NH1-OE2 3.21Å; R105-E170 VanDerWaalsContact NH1-OE2 3.1Å; R105-E170 IonicContact NH2-OE1 2.74Å; R105-E170 PolarHBondContact NH2-OE1 2.75Å; R105-E170 IonicContact NH2-OE2 3.14Å; R105-E170 PolarHBondContact NH2-OE2 3.06Å; Q157-E170 HydrophobicContact CG-CG 3.56Å; Q157-E170 PolarHBondContact NE2-OE1 2.79Å; L158-E170 CarbonylContact O-C 3.58Å; L158-E170 VanDerWaalsContact O-CA 3.29Å; L158-E170 WeakPolarHBondContact O-CA 3.44Å; E170-L172 WeakPolarHBondContact OE1-CD2 3.29Å
171I98.9Very high95.9Very high3 Ų344.6 Ų44.62%0.01524%0.237CC..EExtended strand (participates in β ladder)trans-120.6131.2178.4-51.7-62.9000109W96 V99 S104 R105 V107 L158 L160 R169W96-I171 HydrophobicContact CZ3-CG2 4.2Å; V99-I171 HydrophobicContact CG1-CD1 3.9Å; V99-I171 HydrophobicContact CG1-CG1 4.35Å; S104-I171 WeakPolarHBondContact O-CD1 3.46Å; R105-I171 WeakPolarHBondContact O-CA 3.27Å; V107-I171 HydrophobicContact CG2-CG2 4.04Å; L158-I171 HydrophobicContact CB-CB 4.39Å; L158-I171 PolarHBondContact N-O 3.11Å; L158-I171 PolarHBondContact O-N 2.83Å; L160-I171 HydrophobicContact CB-CG1 3.91Å; L160-I171 HydrophobicContact CD2-CG1 4.37Å; R169-I171 HydrophobicContact CB-CD1 4.49Å
172L98.9Very high94.5Very high22 Ų2248.6 Ų48.612%0.11525%0.254CS..EExtended strand (participates in β ladder)trans-91.7124.9173.8-61.9179.5000110.4R105 G106 V107 Q157 E170 F174R105-L172 PolarHBondContact O-N 3.35Å; G106-L172 CarbonylContact C-O 3.58Å; G106-L172 VanDerWaalsContact CA-O 3.28Å; G106-L172 WeakPolarHBondContact CA-O 3.43Å; V107-L172 PolarHBondContact N-O 3.11Å; Q157-L172 HydrophobicContact CG-CD2 4.42Å; E170-L172 WeakPolarHBondContact OE1-CD2 3.29Å; L172-F174 HydrophobicContact CB-CD2 4.37Å; L172-F174 HydrophobicContact CB-CE2 3.49Å; L172-F174 VanDerWaalsContact CB-CE2 3.49Å; L172-F174 HydrophobicContact CB-CZ 3.76Å; L172-F174 HydrophobicContact CD1-CE2 4.4Å; L172-F174 HydrophobicContact CD1-CZ 4Å
173H98.9Very high93.7Very high0 Ų048.6 Ų48.60%026%0.26CS..EExtended strand (participates in β ladder)trans-108.2112.7178.4-175.5-104.9000110.1V107 Y124 V155 R156 L158V107-H173 WeakPolarHBondContact O-CA 3.38Å; Y124-H173 AromaticContact CZ-NE2 3.66Å; Y124-H173 PolarHBondContact OH-NE2 3.1Å; V155-H173 CarbonylContact C-O 3.58Å; V155-H173 WeakPolarHBondContact CA-O 3.33Å; R156-H173 HydrophobicContact CB-CB 4.12Å; R156-H173 PolarHBondContact N-O 2.79Å; R156-H173 PolarHBondContact NH1-CE1 3.05Å; R156-H173 PolarHBondContact NH1-ND1 2.76Å; R156-H173 VanDerWaalsContact NH1-ND1 3.17Å; R156-H173 PolarHBondContact O-N 3.44Å; L158-H173 HydrophobicContact CD1-CB 3.87Å; L158-H173 HydrophobicContact CG-CB 4.38Å
174F98.9Very high93.3Very high4 Ų447.7 Ų47.72%0.01826%0.257CS..EExtended strand (participates in β ladder)trans-103.4108.7179.5-58.2-90000109.3V107 V108 M109 V155 L172 F194 V198 S201V107-F174 PolarHBondContact O-N 3.06Å; V108-F174 CarbonylContact C-O 3.59Å; V108-F174 WeakPolarHBondContact CA-O 3.4Å; V108-F174 HydrophobicContact CG2-CB 4.4Å; V108-F174 HydrophobicContact CG2-CD2 4.4Å; M109-F174 PolarHBondContact N-O 2.96Å; V155-F174 HydrophobicContact CG1-CD1 4.16Å; V155-F174 HydrophobicContact CG1-CE1 3.96Å; V155-F174 HydrophobicContact CG2-CD1 3.9Å; V155-F174 HydrophobicContact CG2-CE1 4.2Å; L172-F174 HydrophobicContact CB-CD2 4.37Å; L172-F174 HydrophobicContact CB-CE2 3.49Å; L172-F174 VanDerWaalsContact CB-CE2 3.49Å; L172-F174 HydrophobicContact CB-CZ 3.76Å; L172-F174 HydrophobicContact CD1-CE2 4.4Å; L172-F174 HydrophobicContact CD1-CZ 4Å; F174-F194 HydrophobicContact CB-CE2 3.81Å; F174-F194 HydrophobicContact CB-CZ 3.58Å; F174-V198 HydrophobicContact CB-CG2 4Å; F174-V198 HydrophobicContact CD1-CG2 3.78Å; F174-V198 HydrophobicContact CD2-CG1 4.42Å; F174-V198 HydrophobicContact CD2-CG2 4.12Å; F174-V198 HydrophobicContact CE1-CG2 4.29Å; F174-V198 HydrophobicContact CE2-CG1 4.44Å; F174-V198 HydrophobicContact CG-CG2 3.7Å; F174-S201 VanDerWaalsContact CZ-OG 3.3Å; F174-S201 WeakPolarHBondContact CZ-OG 3.22Å
175H98.7Very high92.8Very high12 Ų1243 Ų436%0.05623%0.228CC..EExtended strand (participates in β ladder)trans-111.6104.7-174.6-172.9-176.5000111.1M109 N111 Y153 T154 R156 T177M109-H175 CarbonylContact O-C 3.56Å; M109-H175 WeakPolarHBondContact O-CA 3.21Å; N111-H175 PolarHBondContact O-NE2 3.41Å; Y153-H175 CarbonylContact C-O 3.57Å; Y153-H175 WeakPolarHBondContact CA-O 3.46Å; Y153-H175 WeakPolarHBondContact CB-O 3.45Å; T154-H175 PolarHBondContact N-O 3.41Å; T154-H175 PolarHBondContact O-N 3.21Å; R156-H175 PolarHBondContact NH1-ND1 3.06Å; H175-T177 PolarHBondContact O-N 3.27Å
176Y97.4Very high91.9Very high2 Ų247.7 Ų47.71%0.00824%0.244CC..EExtended strand (participates in β ladder)trans-80.2114.6171.5-159.8-66.6000109.7M109 Y152 T178 W179 S190 F194M109-Y176 PolarHBondContact O-N 3.18Å; Y152-Y176 HydrophobicContact CD2-CD2 4.39Å; Y152-Y176 HydrophobicContact CD2-CE1 4.37Å; Y152-Y176 AromaticContact CD2-CE2 3.75Å; Y152-Y176 HydrophobicContact CD2-CE2 3.75Å; Y152-Y176 AromaticContact CD2-CZ 3.73Å; Y152-Y176 HydrophobicContact CE2-CE2 4.03Å; Y176-T178 WeakPolarHBondContact CE1-OG1 3.4Å; Y176-W179 HydrophobicContact CD1-CB 3.75Å; Y176-W179 HydrophobicContact CE1-CB 3.99Å; Y176-S190 PolarHBondContact OH-OG 3.43Å; Y176-F194 HydrophobicContact CD2-CB 3.91Å; Y176-F194 AromaticContact CD2-CD1 3.68Å; Y176-F194 HydrophobicContact CD2-CD1 3.68Å; Y176-F194 HydrophobicContact CD2-CD2 4.02Å; Y176-F194 HydrophobicContact CD2-CE1 4.12Å; Y176-F194 HydrophobicContact CD2-CE2 4.43Å; Y176-F194 AromaticContact CD2-CG 3.6Å; Y176-F194 HydrophobicContact CD2-CG 3.6Å; Y176-F194 HydrophobicContact CD2-CZ 4.47Å; Y176-F194 HydrophobicContact CE2-CB 3.97Å; Y176-F194 HydrophobicContact CE2-CD1 4.43Å; Y176-F194 HydrophobicContact CE2-CG 4.18Å
177T95.3Very high91.3Very high32 Ų3241.9 Ų41.920%0.19622%0.221CC..  trans-98.8-20.7-165.557.60000114.1R112 Y152 H175R112-T177 VanDerWaalsContact CD-O 3.28Å; R112-T177 WeakPolarHBondContact CD-O 3.42Å; R112-T177 WeakPolarHBondContact CG-O 3.22Å; Y152-T177 PolarHBondContact O-N 3.34Å; Y152-T177 PolarHBondContact O-OG1 2.97Å; Y152-T177 VanDerWaalsContact O-OG1 3.08Å; H175-T177 PolarHBondContact O-N 3.27Å
178T93.2Very high91Very high47 Ų4739.3 Ų39.329%0.28821%0.211SC..SBendtrans-104.26.6-173.461.90000114.7Y152 Y176 P180Y152-T178 VanDerWaalsContact CB-OG1 3.32Å; Y152-T178 WeakPolarHBondContact CB-OG1 3.32Å; Y176-T178 WeakPolarHBondContact CE1-OG1 3.4Å; T178-P180 WeakPolarHBondContact O-CD 3.43Å
179W92.1Very high90.6Very high2 Ų236.5 Ų36.51%0.00820%0.195CC..  trans-76.2114.1178.5-162.6-31.5000111.2L110 Y176 G183 P185 F191 R221 T224L110-W179 HydrophobicContact CD1-CZ3 4.45Å; L110-W179 HydrophobicContact CD2-CE3 4.36Å; L110-W179 HydrophobicContact CD2-CZ3 4.35Å; Y176-W179 HydrophobicContact CD1-CB 3.75Å; Y176-W179 HydrophobicContact CE1-CB 3.99Å; W179-G183 PolarHBondContact NE1-O 2.79Å; W179-G183 VanDerWaalsContact NE1-O 3.1Å; W179-P185 HydrophobicContact CD2-CG 3.72Å; W179-P185 VanDerWaalsContact CE2-CD 3.46Å; W179-P185 HydrophobicContact CE3-CG 3.86Å; W179-P185 HydrophobicContact CG-CG 4.3Å; W179-P185 HydrophobicContact CH2-CG 4.04Å; W179-P185 HydrophobicContact CZ2-CG 3.91Å; W179-P185 HydrophobicContact CZ3-CG 4.02Å; W179-F191 AromaticContact CH2-CD2 3.95Å; W179-F191 HydrophobicContact CH2-CD2 3.95Å; W179-F191 AromaticContact CH2-CE2 3.8Å; W179-F191 HydrophobicContact CH2-CE2 3.8Å; W179-F191 AromaticContact CZ3-CD2 3.64Å; W179-F191 HydrophobicContact CZ3-CD2 3.64Å; W179-F191 AromaticContact CZ3-CE2 3.68Å; W179-F191 HydrophobicContact CZ3-CE2 3.68Å; W179-R221 HydrophobicContact CD2-CB 4.25Å; W179-R221 HydrophobicContact CD2-CG 3.93Å; W179-R221 HydrophobicContact CE3-CB 4.46Å; W179-R221 HydrophobicContact CG-CG 4.15Å; W179-R221 HydrophobicContact CH2-CB 4.33Å; W179-R221 HydrophobicContact CZ2-CB 4.1Å; W179-R221 HydrophobicContact CZ2-CG 4.02Å; W179-R221 HydrophobicContact CZ3-CB 4.49Å; W179-R221 PolarHBondContact O-NH1 3.24Å; W179-T224 HydrophobicContact CH2-CG2 3.68Å; W179-T224 HydrophobicContact CZ2-CG2 3.95Å
180P83.5Confident90.4Very high52 Ų5234.2 Ų34.234%0.33819%0.188SC..  trans-70.8141.4179.928.6-35000113.4T178 F182 G183T178-P180 WeakPolarHBondContact O-CD 3.43Å; P180-F182 PolarHBondContact O-N 2.86Å; P180-G183 PolarHBondContact O-N 2.83Å
181D73.4Confident90.3Very high21 Ų2131.1 Ų31.111%0.11217%0.174CC..THydrogen-bonded Turntrans-63127.5176.4-159.225.5000111.7E115 K116 K120 G183 R221E115-D181 WeakPolarHBondContact OE2-CB 3.47Å; K116-D181 PolarHBondContact NZ-O 2.95Å; K120-D181 IonicContact NZ-OD2 3.83Å; K120-D181 PolarHBondContact NZ-OD2 2.93Å; D181-G183 PolarHBondContact O-N 2.91Å; D181-R221 IonicContact OD1-CZ 2.9Å; D181-R221 IonicContact OD1-NH2 3.76Å; D181-R221 PolarHBondContact OD1-NH2 2.93Å
182F70.2Confident90.2Very high116 Ų11631 Ų3151%0.50917%0.173SC..THydrogen-bonded Turntrans61.64.3-169.7-59.4-84.4000116.3P180 T263P180-F182 PolarHBondContact O-N 2.86Å; F182-T263 HydrophobicContact CD1-CG2 4.37Å
183G82.5Confident90Very high22 Ų2230.1 Ų30.123%0.22717%0.168CC..SBendtrans-98.5-163.5171.600000112.2W179 P180 D181 Q266W179-G183 PolarHBondContact NE1-O 2.79Å; W179-G183 VanDerWaalsContact NE1-O 3.1Å; P180-G183 PolarHBondContact O-N 2.83Å; D181-G183 PolarHBondContact O-N 2.91Å; G183-Q266 PolarHBondContact O-NE2 2.74Å
184V89.5Confident90Very high44 Ų4430.1 Ų30.127%0.26717%0.168SC..  trans-126.7158.6177.8-63.50000109D265 Q266 F269V184-D265 HydrophobicContact CG1-CB 4.24Å; V184-D265 WeakPolarHBondContact CG1-O 3.4Å; V184-Q266 HydrophobicContact CG1-CG 4.09Å; V184-F269 HydrophobicContact CB-CB 3.99Å; V184-F269 HydrophobicContact CB-CD2 3.86Å; V184-F269 HydrophobicContact CB-CG 3.9Å; V184-F269 HydrophobicContact CG1-CB 3.63Å; V184-F269 HydrophobicContact CG1-CD2 4.47Å; V184-F269 HydrophobicContact CG1-CG 4.08Å; V184-F269 HydrophobicContact CG2-CD2 4.27Å
185P86.9Confident90Very high5 Ų530 Ų303%0.03217%0.168CC..  trans-56.1153169.2-22.935.9000111W179 S187 F191 F269W179-P185 HydrophobicContact CD2-CG 3.72Å; W179-P185 VanDerWaalsContact CE2-CD 3.46Å; W179-P185 HydrophobicContact CE3-CG 3.86Å; W179-P185 HydrophobicContact CG-CG 4.3Å; W179-P185 HydrophobicContact CH2-CG 4.04Å; W179-P185 HydrophobicContact CZ2-CG 3.91Å; W179-P185 HydrophobicContact CZ3-CG 4.02Å; P185-S187 VanDerWaalsContact C-N 3.26Å; P185-S187 PolarHBondContact O-N 3.45Å; P185-F191 HydrophobicContact CB-CB 4.27Å; P185-F191 HydrophobicContact CG-CB 4.13Å; P185-F191 HydrophobicContact CG-CD2 4.28Å; P185-F269 HydrophobicContact CB-CE1 4.41Å; P185-F269 HydrophobicContact CB-CE2 3.98Å; P185-F269 HydrophobicContact CB-CZ 3.66Å; P185-F269 VanDerWaalsContact CD-CZ 3.47Å; P185-F269 HydrophobicContact CG-CE1 3.72Å; P185-F269 HydrophobicContact CG-CE2 4.11Å; P185-F269 HydrophobicContact CG-CZ 3.47Å; P185-F269 VanDerWaalsContact CG-CZ 3.47Å
186E78.5Confident89.9Confident184 Ų18429.9 Ų29.986%0.8617%0.167SC*.SBendtrans-62.3-34.6-177.5-64.6-176171.200112.5
187S86Confident89.9Confident35 Ų3532.8 Ų32.825%0.24518%0.18CC..  trans-143.3148.6178.4700000111.5P185 A189 S190P185-S187 VanDerWaalsContact C-N 3.26Å; P185-S187 PolarHBondContact O-N 3.45Å; S187-A189 PolarHBondContact O-N 3.44Å; S187-S190 PolarHBondContact O-OG 2.77Å; S187-S190 PolarHBondContact OG-N 3.1Å; S187-S190 PolarHBondContact OG-OG 2.82Å
188P91.6Very high90Very high33 Ų3331.2 Ų31.221%0.21417%0.17CC..Hα-helixtrans-57.8-31.7167.9-26.135.9000113.1F191 L192 F269 L272 E276P188-F191 PolarHBondContact O-N 3.26Å; P188-L192 HydrophobicContact CB-CD1 4.46Å; P188-L192 VanDerWaalsContact O-CB 3.31Å; P188-L192 WeakPolarHBondContact O-CB 3.46Å; P188-L192 VanDerWaalsContact O-CG 3.24Å; P188-L192 WeakPolarHBondContact O-CG 3.42Å; P188-L192 PolarHBondContact O-N 2.78Å; P188-F269 HydrophobicContact CG-CE2 4.24Å; P188-L272 HydrophobicContact CG-CB 3.92Å; P188-E276 HydrophobicContact CB-CB 4.3Å; P188-E276 HydrophobicContact CB-CG 4.46Å
189A91.7Very high90.3Very high9 Ų931.4 Ų31.47%0.07417%0.166CC..Hα-helixtrans-59.9-49.8-179.500000112.8S187 F191 L192 N193 W291 L294S187-A189 PolarHBondContact O-N 3.44Å; A189-F191 PolarHBondContact O-N 2.74Å; A189-L192 PolarHBondContact O-N 3.46Å; A189-N193 WeakPolarHBondContact O-CB 3.37Å; A189-N193 PolarHBondContact O-N 2.87Å; A189-W291 HydrophobicContact CB-CB 4.19Å; A189-W291 HydrophobicContact CB-CG 4.2Å; A189-L294 HydrophobicContact CB-CB 4.06Å
190S93Very high90.5Very high9 Ų936.5 Ų36.56%0.06319%0.19CC..Hα-helixtrans-61.3-43.2177.356.60000112.4Y152 Y176 S187 F194Y152-S190 VanDerWaalsContact CE2-O 3.28Å; Y152-S190 WeakPolarHBondContact CE2-O 3.19Å; Y176-S190 PolarHBondContact OH-OG 3.43Å; S187-S190 PolarHBondContact O-OG 2.77Å; S187-S190 PolarHBondContact OG-N 3.1Å; S187-S190 PolarHBondContact OG-OG 2.82Å; S190-F194 PolarHBondContact O-N 3.35Å; S190-F194 VanDerWaalsContact O-N 3.12Å
191F96.7Very high91.2Very high0 Ų035.9 Ų35.90%019%0.186CC..Hα-helixtrans-63.5-45.4176170.8-93.8000112.7W179 P185 P188 A189 F194 L195 F225 A228 F269 A273W179-F191 AromaticContact CH2-CD2 3.95Å; W179-F191 HydrophobicContact CH2-CD2 3.95Å; W179-F191 AromaticContact CH2-CE2 3.8Å; W179-F191 HydrophobicContact CH2-CE2 3.8Å; W179-F191 AromaticContact CZ3-CD2 3.64Å; W179-F191 HydrophobicContact CZ3-CD2 3.64Å; W179-F191 AromaticContact CZ3-CE2 3.68Å; W179-F191 HydrophobicContact CZ3-CE2 3.68Å; P185-F191 HydrophobicContact CB-CB 4.27Å; P185-F191 HydrophobicContact CG-CB 4.13Å; P185-F191 HydrophobicContact CG-CD2 4.28Å; P188-F191 PolarHBondContact O-N 3.26Å; A189-F191 PolarHBondContact O-N 2.74Å; F191-F194 PolarHBondContact O-N 2.85Å; F191-L195 HydrophobicContact CE1-CD2 4.45Å; F191-L195 WeakPolarHBondContact O-CB 3.4Å; F191-L195 PolarHBondContact O-N 3.04Å; F191-F225 HydrophobicContact CE2-CB 4.37Å; F191-F225 HydrophobicContact CE2-CD2 4.05Å; F191-F225 HydrophobicContact CZ-CD2 4.35Å; F191-A228 HydrophobicContact CE1-CB 3.71Å; F191-A228 HydrophobicContact CZ-CB 3.86Å; F191-F269 HydrophobicContact CB-CE1 4.08Å; F191-F269 HydrophobicContact CB-CZ 3.74Å; F191-F269 HydrophobicContact CD1-CE1 4.05Å; F191-F269 HydrophobicContact CD1-CZ 4.38Å; F191-F269 HydrophobicContact CD2-CE1 4.14Å; F191-F269 AromaticContact CG-CE1 3.81Å; F191-F269 HydrophobicContact CG-CE1 3.81Å; F191-F269 HydrophobicContact CG-CZ 4Å; F191-A273 HydrophobicContact CD1-CB 3.8Å; F191-A273 HydrophobicContact CE1-CB 3.81Å
192L97.3Very high92.4Very high0 Ų035.8 Ų35.80%019%0.19CC..Hα-helixtrans-67.2-46179.8-73.5169.1000110.9P188 A189 F194 L195 F196 L232 E276 W291P188-L192 HydrophobicContact CB-CD1 4.46Å; P188-L192 VanDerWaalsContact O-CB 3.31Å; P188-L192 WeakPolarHBondContact O-CB 3.46Å; P188-L192 VanDerWaalsContact O-CG 3.24Å; P188-L192 WeakPolarHBondContact O-CG 3.42Å; P188-L192 PolarHBondContact O-N 2.78Å; A189-L192 PolarHBondContact O-N 3.46Å; L192-F194 VanDerWaalsContact C-N 3.28Å; L192-F194 PolarHBondContact O-N 3.17Å; L192-L195 HydrophobicContact CD2-CD2 4.44Å; L192-L195 PolarHBondContact O-N 2.82Å; L192-L195 VanDerWaalsContact O-N 3.08Å; L192-F196 HydrophobicContact CD2-CE2 4.45Å; L192-F196 VanDerWaalsContact O-CD2 3.28Å; L192-F196 WeakPolarHBondContact O-CD2 3.41Å; L192-F196 PolarHBondContact O-N 3.37Å; L192-L232 HydrophobicContact CD2-CD1 4Å; L192-E276 HydrophobicContact CD1-CB 3.79Å; L192-E276 HydrophobicContact CD1-CG 3.74Å; L192-W291 HydrophobicContact CB-CD2 4.05Å; L192-W291 HydrophobicContact CB-CE3 3.88Å; L192-W291 HydrophobicContact CB-CH2 4.5Å; L192-W291 HydrophobicContact CB-CZ3 4.12Å; L192-W291 HydrophobicContact CD1-CD2 4.31Å; L192-W291 HydrophobicContact CD1-CH2 4.05Å; L192-W291 HydrophobicContact CD1-CZ2 3.7Å; L192-W291 HydrophobicContact CD1-CZ3 4.5Å
193N95.9Very high93.8Very high4 Ų430.2 Ų30.22%0.02117%0.166CC..Hα-helixtrans-54.6-46.7175.7-175.366.2000111.1Y152 A189 F196 K197 W291 E297Y152-N193 WeakPolarHBondContact OH-CB 3.49Å; Y152-N193 PolarHBondContact OH-ND2 3.25Å; A189-N193 WeakPolarHBondContact O-CB 3.37Å; A189-N193 PolarHBondContact O-N 2.87Å; N193-F196 PolarHBondContact O-N 2.95Å; N193-K197 WeakPolarHBondContact O-CG 3.43Å; N193-K197 PolarHBondContact O-N 3.35Å; N193-W291 HydrophobicContact CB-CB 4.3Å; N193-E297 PolarHBondContact ND2-OE2 3Å
194F97.8Very high94.5Very high0 Ų029.9 Ų29.90%016%0.159CC..Hα-helixtrans-61-45.7174.2177.9-99.6000113.4V108 L110 Y152 Y153 F174 Y176 S190 F191 L192 F196 K197 V198 F225V108-F194 HydrophobicContact CG1-CE1 3.9Å; V108-F194 HydrophobicContact CG1-CZ 4.16Å; L110-F194 HydrophobicContact CD2-CE1 3.97Å; Y152-F194 HydrophobicContact CE2-CB 4.23Å; Y153-F194 HydrophobicContact CD1-CD2 4.35Å; Y153-F194 AromaticContact CD2-CD2 3.91Å; Y153-F194 HydrophobicContact CD2-CD2 3.91Å; Y153-F194 HydrophobicContact CD2-CE2 4.21Å; Y153-F194 AromaticContact CG-CD2 3.72Å; Y153-F194 HydrophobicContact CG-CD2 3.72Å; Y153-F194 HydrophobicContact CG-CE2 4.21Å; F174-F194 HydrophobicContact CB-CE2 3.81Å; F174-F194 HydrophobicContact CB-CZ 3.58Å; Y176-F194 HydrophobicContact CD2-CB 3.91Å; Y176-F194 AromaticContact CD2-CD1 3.68Å; Y176-F194 HydrophobicContact CD2-CD1 3.68Å; Y176-F194 HydrophobicContact CD2-CD2 4.02Å; Y176-F194 HydrophobicContact CD2-CE1 4.12Å; Y176-F194 HydrophobicContact CD2-CE2 4.43Å; Y176-F194 AromaticContact CD2-CG 3.6Å; Y176-F194 HydrophobicContact CD2-CG 3.6Å; Y176-F194 HydrophobicContact CD2-CZ 4.47Å; Y176-F194 HydrophobicContact CE2-CB 3.97Å; Y176-F194 HydrophobicContact CE2-CD1 4.43Å; Y176-F194 HydrophobicContact CE2-CG 4.18Å; S190-F194 PolarHBondContact O-N 3.35Å; S190-F194 VanDerWaalsContact O-N 3.12Å; F191-F194 PolarHBondContact O-N 2.85Å; L192-F194 VanDerWaalsContact C-N 3.28Å; L192-F194 PolarHBondContact O-N 3.17Å; F194-F196 VanDerWaalsContact C-N 3.29Å; F194-F196 PolarHBondContact O-N 2.97Å; F194-K197 WeakPolarHBondContact O-CB 3.28Å; F194-K197 PolarHBondContact O-N 3.2Å; F194-V198 HydrophobicContact CD1-CG2 4.47Å; F194-V198 HydrophobicContact CE1-CG2 4.13Å; F194-V198 HydrophobicContact CZ-CG2 4.27Å; F194-V198 WeakPolarHBondContact O-CG2 3.33Å; F194-V198 PolarHBondContact O-N 3.37Å; F194-V198 VanDerWaalsContact O-N 3.08Å; F194-F225 HydrophobicContact CD1-CE2 4.12Å; F194-F225 HydrophobicContact CE1-CE2 4Å
195L98.3Very high94.9Very high0 Ų029.6 Ų29.60%016%0.159CC..Hα-helixtrans-58.1-43.1176.4172.162000111.5F191 L192 V198 R199 F225 D229 L232F191-L195 HydrophobicContact CE1-CD2 4.45Å; F191-L195 WeakPolarHBondContact O-CB 3.4Å; F191-L195 PolarHBondContact O-N 3.04Å; L192-L195 HydrophobicContact CD2-CD2 4.44Å; L192-L195 PolarHBondContact O-N 2.82Å; L192-L195 VanDerWaalsContact O-N 3.08Å; L195-V198 WeakPolarHBondContact O-CB 3.47Å; L195-V198 PolarHBondContact O-N 2.64Å; L195-R199 PolarHBondContact O-N 3.37Å; L195-F225 HydrophobicContact CB-CE2 4.25Å; L195-F225 HydrophobicContact CD1-CD2 4.36Å; L195-F225 HydrophobicContact CD1-CE1 4.15Å; L195-F225 HydrophobicContact CD1-CE2 3.61Å; L195-F225 HydrophobicContact CD1-CZ 3.48Å; L195-F225 VanDerWaalsContact CD1-CZ 3.48Å; L195-D229 HydrophobicContact CD1-CB 3.86Å; L195-D229 HydrophobicContact CD2-CB 4.28Å; L195-L232 HydrophobicContact CD2-CD1 4.05Å
196F96.7Very high95.3Very high10 Ų1035 Ų354%0.04419%0.194CC..Hα-helixtrans-67.9-36.4178.4-85.6-92.2000111.9L192 N193 F194 V198 R199 E200 F280 W291L192-F196 HydrophobicContact CD2-CE2 4.45Å; L192-F196 VanDerWaalsContact O-CD2 3.28Å; L192-F196 WeakPolarHBondContact O-CD2 3.41Å; L192-F196 PolarHBondContact O-N 3.37Å; N193-F196 PolarHBondContact O-N 2.95Å; F194-F196 VanDerWaalsContact C-N 3.29Å; F194-F196 PolarHBondContact O-N 2.97Å; F196-V198 VanDerWaalsContact C-N 3.3Å; F196-V198 PolarHBondContact O-N 3.07Å; F196-R199 WeakPolarHBondContact O-CB 3.48Å; F196-R199 PolarHBondContact O-N 3.49Å; F196-R199 VanDerWaalsContact O-N 3.1Å; F196-E200 WeakPolarHBondContact O-CB 3.28Å; F196-E200 VanDerWaalsContact O-CG 3.27Å; F196-E200 WeakPolarHBondContact O-CG 3.35Å; F196-E200 PolarHBondContact O-N 2.94Å; F196-F280 HydrophobicContact CD1-CE1 4.25Å; F196-F280 AromaticContact CE1-CD1 3.41Å; F196-F280 HydrophobicContact CE1-CD1 3.41Å; F196-F280 VanDerWaalsContact CE1-CD1 3.41Å; F196-F280 AromaticContact CE1-CE1 3.33Å; F196-F280 HydrophobicContact CE1-CE1 3.33Å; F196-F280 HydrophobicContact CE1-CG 4.16Å; F196-F280 AromaticContact CE1-CZ 3.99Å; F196-F280 HydrophobicContact CE1-CZ 3.99Å; F196-F280 HydrophobicContact CZ-CB 4.44Å; F196-F280 AromaticContact CZ-CD1 3.46Å; F196-F280 HydrophobicContact CZ-CD1 3.46Å; F196-F280 VanDerWaalsContact CZ-CD1 3.46Å; F196-F280 AromaticContact CZ-CE1 3.91Å; F196-F280 HydrophobicContact CZ-CE1 3.91Å; F196-F280 HydrophobicContact CZ-CG 4.04Å; F196-W291 HydrophobicContact CD2-CE3 4.48Å; F196-W291 AromaticContact CD2-CZ3 3.89Å; F196-W291 HydrophobicContact CD2-CZ3 3.89Å; F196-W291 HydrophobicContact CE2-CH2 4.22Å; F196-W291 AromaticContact CE2-CZ3 3.65Å; F196-W291 HydrophobicContact CE2-CZ3 3.65Å; F196-W291 HydrophobicContact CZ-CZ3 4.25Å
197K97.8Very high96.2Very high63 Ų6332.1 Ų32.127%0.27418%0.18SC..Hα-helixtrans-57.2-41.9168.8-69.2-64.3175.8-160.90112.8Y153 N193 F194 E200 S201Y153-K197 HydrophobicContact CE2-CG 4.5Å; N193-K197 WeakPolarHBondContact O-CG 3.43Å; N193-K197 PolarHBondContact O-N 3.35Å; F194-K197 WeakPolarHBondContact O-CB 3.28Å; F194-K197 PolarHBondContact O-N 3.2Å; K197-E200 IonicContact NZ-OE2 3.67Å; K197-S201 PolarHBondContact O-N 2.74Å
198V98.6Very high96.8Very high0 Ų033.9 Ų33.90%018%0.184CC..Hα-helixtrans-64.8-41.6175-178.30000111V108 F174 F194 L195 F196 S201 L204 F225V108-V198 HydrophobicContact CG2-CG1 3.93Å; V108-V198 HydrophobicContact CG2-CG2 4.12Å; F174-V198 HydrophobicContact CB-CG2 4Å; F174-V198 HydrophobicContact CD1-CG2 3.78Å; F174-V198 HydrophobicContact CD2-CG1 4.42Å; F174-V198 HydrophobicContact CD2-CG2 4.12Å; F174-V198 HydrophobicContact CE1-CG2 4.29Å; F174-V198 HydrophobicContact CE2-CG1 4.44Å; F174-V198 HydrophobicContact CG-CG2 3.7Å; F194-V198 HydrophobicContact CD1-CG2 4.47Å; F194-V198 HydrophobicContact CE1-CG2 4.13Å; F194-V198 HydrophobicContact CZ-CG2 4.27Å; F194-V198 WeakPolarHBondContact O-CG2 3.33Å; F194-V198 PolarHBondContact O-N 3.37Å; F194-V198 VanDerWaalsContact O-N 3.08Å; L195-V198 WeakPolarHBondContact O-CB 3.47Å; L195-V198 PolarHBondContact O-N 2.64Å; F196-V198 VanDerWaalsContact C-N 3.3Å; F196-V198 PolarHBondContact O-N 3.07Å; V198-S201 PolarHBondContact O-N 3.32Å; V198-S201 PolarHBondContact O-OG 2.95Å; V198-L204 HydrophobicContact CB-CD1 4.49Å; V198-L204 HydrophobicContact CG1-CD1 3.91Å; V198-L204 HydrophobicContact CG1-CG 3.99Å; V198-F225 HydrophobicContact CB-CZ 4.33Å; V198-F225 HydrophobicContact CG1-CZ 4.29Å; V198-F225 HydrophobicContact CG2-CZ 4.22Å
199R98.1Very high97.1Very high50 Ų5032.9 Ų32.919%0.18918%0.181CC..Hα-helixtrans-62.7-48.7176.8-73.7178.5167.9-157.8-3.7112.4L195 F196 S201 G202 L204 D229L195-R199 PolarHBondContact O-N 3.37Å; F196-R199 WeakPolarHBondContact O-CB 3.48Å; F196-R199 PolarHBondContact O-N 3.49Å; F196-R199 VanDerWaalsContact O-N 3.1Å; R199-S201 PolarHBondContact O-N 3.26Å; R199-G202 PolarHBondContact O-N 3.38Å; R199-L204 HydrophobicContact CB-CD1 4.39Å; R199-L204 HydrophobicContact CG-CD1 3.56Å; R199-D229 IonicContact CZ-OD1 2.7Å; R199-D229 IonicContact NE-OD1 3.73Å; R199-D229 PolarHBondContact NE-OD1 2.93Å; R199-D229 PolarHBondContact NH2-O 3.08Å; R199-D229 IonicContact NH2-OD1 2.78Å; R199-D229 PolarHBondContact NH2-OD1 2.81Å
200E97.5Very high97.5Very high110 Ų11033.8 Ų33.851%0.51419%0.186SC..Hα-helixtrans-61.4-28.3-178.8-73.2173.3168.600112.8F196 K197 G202 Q288F196-E200 WeakPolarHBondContact O-CB 3.28Å; F196-E200 VanDerWaalsContact O-CG 3.27Å; F196-E200 WeakPolarHBondContact O-CG 3.35Å; F196-E200 PolarHBondContact O-N 2.94Å; K197-E200 IonicContact NZ-OE2 3.67Å; E200-G202 PolarHBondContact O-N 3.33Å; E200-Q288 PolarHBondContact OE1-NE2 2.82Å
201S98.2Very high97.8Very high38 Ų3833.5 Ų33.527%0.26618%0.183SC..THydrogen-bonded Turntrans-69.4-11.4178.678.10000115.3F174 K197 V198 R199 S203F174-S201 VanDerWaalsContact CZ-OG 3.3Å; F174-S201 WeakPolarHBondContact CZ-OG 3.22Å; K197-S201 PolarHBondContact O-N 2.74Å; V198-S201 PolarHBondContact O-N 3.32Å; V198-S201 PolarHBondContact O-OG 2.95Å; R199-S201 PolarHBondContact O-N 3.26Å; S201-S203 PolarHBondContact O-N 2.93Å; S201-S203 VanDerWaalsContact OG-CB 3.29Å; S201-S203 WeakPolarHBondContact OG-CB 3.18Å; S201-S203 PolarHBondContact OG-N 2.96Å; S201-S203 VanDerWaalsContact OG-N 3.17Å; S201-S203 PolarHBondContact OG-OG 3.2Å
202G98.3Very high97.9Very high19 Ų1933.5 Ų33.520%0.19618%0.183CC..THydrogen-bonded Turntrans77.4-2-172.100000114.6R199 E200 L204 S205 H208R199-G202 PolarHBondContact O-N 3.38Å; E200-G202 PolarHBondContact O-N 3.33Å; G202-L204 PolarHBondContact O-N 3.38Å; G202-L204 VanDerWaalsContact O-N 3.12Å; G202-S205 WeakPolarHBondContact O-CB 3.42Å; G202-S205 PolarHBondContact O-N 2.89Å; G202-H208 PolarHBondContact O-ND1 3.09Å; G202-H208 VanDerWaalsContact O-ND1 3.1Å
203S98.5Very high98Very high0 Ų033.5 Ų33.50%018%0.183CC..THydrogen-bonded Turntrans-63.6-19.5-179.7-61.60000114.4S201S201-S203 PolarHBondContact O-N 2.93Å; S201-S203 VanDerWaalsContact OG-CB 3.29Å; S201-S203 WeakPolarHBondContact OG-CB 3.18Å; S201-S203 PolarHBondContact OG-N 2.96Å; S201-S203 VanDerWaalsContact OG-N 3.17Å; S201-S203 PolarHBondContact OG-OG 3.2Å
204L98.4Very high98.1Very high14 Ų1433.3 Ų33.37%0.07318%0.182CC..THydrogen-bonded Turntrans-99.86.7178.1-71.2172.5000113.5R79 Y81 V198 R199 G202 V211R79-L204 PolarHBondContact NE-O 3.09Å; Y81-L204 HydrophobicContact CD1-CD2 4.38Å; Y81-L204 HydrophobicContact CE1-CD2 4.02Å; V198-L204 HydrophobicContact CB-CD1 4.49Å; V198-L204 HydrophobicContact CG1-CD1 3.91Å; V198-L204 HydrophobicContact CG1-CG 3.99Å; R199-L204 HydrophobicContact CB-CD1 4.39Å; R199-L204 HydrophobicContact CG-CD1 3.56Å; G202-L204 PolarHBondContact O-N 3.38Å; G202-L204 VanDerWaalsContact O-N 3.12Å; L204-V211 HydrophobicContact CD2-CB 3.96Å; L204-V211 HydrophobicContact CD2-CG1 3.39Å; L204-V211 HydrophobicContact CD2-CG2 4.49Å
205S97.3Very high98.1Very high39 Ų3933.5 Ų33.527%0.27318%0.184SC..SBendtrans-87.2146.5-172.4-157.90000111.7G202 E207 H208G202-S205 WeakPolarHBondContact O-CB 3.42Å; G202-S205 PolarHBondContact O-N 2.89Å; S205-E207 VanDerWaalsContact C-N 3.26Å; S205-E207 WeakPolarHBondContact CB-OE1 3.33Å; S205-E207 WeakPolarHBondContact CB-OE2 3.28Å; S205-E207 PolarHBondContact O-N 3.44Å; S205-E207 PolarHBondContact OG-OE1 3.27Å; S205-E207 PolarHBondContact OG-OE2 2.96Å; S205-H208 PolarHBondContact O-N 3.26Å
206P96.3Very high98.1Very high117 Ų11733.7 Ų33.776%0.7619%0.185SC*.THydrogen-bonded Turntrans-73.6-8.5-170.330.2-36.5000114.9H208P206-H208 PolarHBondContact O-N 2.93Å
207E97.1Very high98.2Very high125 Ų12534 Ų3458%0.58419%0.19SC*.THydrogen-bonded Turntrans-70.4-17.4170.967.5-82.76.600113.5S205S205-E207 VanDerWaalsContact C-N 3.26Å; S205-E207 WeakPolarHBondContact CB-OE1 3.33Å; S205-E207 WeakPolarHBondContact CB-OE2 3.28Å; S205-E207 PolarHBondContact O-N 3.44Å; S205-E207 PolarHBondContact OG-OE1 3.27Å; S205-E207 PolarHBondContact OG-OE2 2.96Å
208H98.3Very high98.2Very high71 Ų7131 Ų3133%0.32918%0.177SC..SBendtrans-102.6167.2177.2-56.5114.8000111.5R105 G202 S205 P206R105-H208 HydrophobicContact CB-CB 3.96Å; G202-H208 PolarHBondContact O-ND1 3.09Å; G202-H208 VanDerWaalsContact O-ND1 3.1Å; S205-H208 PolarHBondContact O-N 3.26Å; P206-H208 PolarHBondContact O-N 2.93Å
209G98.6Very high98.2Very high13 Ų1331.3 Ų31.313%0.13418%0.178CC..BIsolated β-bridgetrans-62.4165.9163.300000113Q102 K103 V211Q102-G209 WeakPolarHBondContact O-CA 3.26Å; K103-G209 WeakPolarHBondContact O-CA 3.49Å; K103-G209 PolarHBondContact O-N 3.42Å; G209-V211 PolarHBondContact O-N 3.49Å
210P98.8Very high98.2Very high28 Ų2829.2 Ų29.218%0.18217%0.172CC..PPolyproline II helixtrans-56.4137.2178.5-21.331.9000111.8L71 I82 S104L71-P210 HydrophobicContact CD1-CB 4.18Å; L71-P210 HydrophobicContact CD1-CG 3.74Å; I82-P210 HydrophobicContact CD1-CB 4.08Å; I82-P210 HydrophobicContact CD1-CG 4.3Å; I82-P210 HydrophobicContact CG1-CB 3.95Å; I82-P210 HydrophobicContact CG1-CG 4.41Å; S104-P210 VanDerWaalsContact CB-O 3.31Å; S104-P210 WeakPolarHBondContact CB-O 3.43Å; S104-P210 PolarHBondContact OG-O 2.91Å
211V98.9Very high98.3Very high2 Ų224.2 Ų24.21%0.01215%0.149CC..EExtended strand (participates in β ladder)trans-59.9140.5171.969.20000110Y81 I82 G106 V108 L204 G209 V213Y81-V211 HydrophobicContact CD1-CG1 3.62Å; Y81-V211 HydrophobicContact CE1-CG1 4.4Å; Y81-V211 HydrophobicContact CG-CG1 4.5Å; I82-V211 PolarHBondContact N-O 2.99Å; G106-V211 WeakPolarHBondContact O-CG2 3.47Å; V108-V211 HydrophobicContact CG2-CG2 3.92Å; L204-V211 HydrophobicContact CD2-CB 3.96Å; L204-V211 HydrophobicContact CD2-CG1 3.39Å; L204-V211 HydrophobicContact CD2-CG2 4.49Å; G209-V211 PolarHBondContact O-N 3.49Å; V211-V213 HydrophobicContact CG1-CG2 3.85Å
212V99Very high98.3Very high0 Ų022.4 Ų22.40%014%0.136CC..EExtended strand (participates in β ladder)trans-90.6121.6173.3179.70000108.7I82 T84 F95 M98 V99 G106 V107 V108I82-V212 HydrophobicContact CB-CG2 4.22Å; I82-V212 HydrophobicContact CD1-CG2 4.47Å; I82-V212 HydrophobicContact CG2-CG2 4.37Å; I82-V212 CarbonylContact O-C 3.55Å; I82-V212 WeakPolarHBondContact O-CA 3.23Å; T84-V212 HydrophobicContact CG2-CG1 3.7Å; F95-V212 HydrophobicContact CE2-CG1 3.77Å; F95-V212 HydrophobicContact CZ-CG1 3.9Å; M98-V212 HydrophobicContact CE-CG1 3.83Å; M98-V212 HydrophobicContact CE-CG2 3.99Å; V99-V212 HydrophobicContact CG2-CG2 3.99Å; G106-V212 PolarHBondContact O-N 3.49Å; V107-V212 CarbonylContact C-O 3.56Å; V107-V212 WeakPolarHBondContact CA-O 3.4Å; V107-V212 HydrophobicContact CG2-CB 4.31Å; V108-V212 PolarHBondContact N-O 3.11Å
213V98.9Very high98.3Very high0 Ų021.5 Ų21.50%013%0.127CC..EExtended strand (participates in β ladder)trans-118.1127.7178.8-171.80000109.2I82 L83 T84 V108 L110 V211 F225I82-V213 PolarHBondContact O-N 3.46Å; L83-V213 WeakPolarHBondContact CA-O 3.46Å; L83-V213 HydrophobicContact CD1-CB 4.2Å; T84-V213 PolarHBondContact N-O 3.18Å; V108-V213 HydrophobicContact CB-CB 4.45Å; V108-V213 HydrophobicContact CB-CG1 4.18Å; V108-V213 HydrophobicContact CB-CG2 4.19Å; V108-V213 HydrophobicContact CG1-CG1 4.22Å; V108-V213 HydrophobicContact CG2-CG2 4.5Å; V108-V213 WeakPolarHBondContact O-CA 3.48Å; L110-V213 HydrophobicContact CD1-CG1 4.02Å; V211-V213 HydrophobicContact CG1-CG2 3.85Å; V213-F225 HydrophobicContact CG1-CD1 4.06Å; V213-F225 HydrophobicContact CG2-CD1 4.22Å; V213-F225 HydrophobicContact CG2-CE1 4.29Å
214H98.9Very high98.3Very high0 Ų021.5 Ų21.50%013%0.127CC..EExtended strand (participates in β ladder)trans-141.3162.61778489.9000113.1T84 V108 M109 L110 Y124 S222T84-H214 HydrophobicContact CG2-CB 3.77Å; T84-H214 WeakPolarHBondContact O-CB 3.42Å; V108-H214 PolarHBondContact O-N 2.93Å; M109-H214 WeakPolarHBondContact CB-NE2 3.46Å; M109-H214 VanDerWaalsContact CG-CE1 3.43Å; M109-H214 WeakPolarHBondContact CG-CE1 3.47Å; M109-H214 WeakPolarHBondContact CG-NE2 3.5Å; L110-H214 PolarHBondContact N-O 2.77Å; Y124-H214 AromaticContact CE1-CE1 3.74Å; Y124-H214 AromaticContact CE1-NE2 3.52Å; Y124-H214 AromaticContact CZ-NE2 3.42Å; Y124-H214 PolarHBondContact OH-NE2 3.1Å; H214-S222 WeakPolarHBondContact CA-OG 3.31Å
215C97.9Very high98.3Very high4 Ų420.9 Ų20.93%0.02712%0.123CC..SBendtrans-134.7-135.6163.6540000106.1G86 L110 N111 G218 R221 S222G86-C215 WeakPolarHBondContact CA-O 3.39Å; G86-C215 PolarHBondContact N-O 3.33Å; L110-C215 HydrophobicContact CB-CB 4.25Å; N111-C215 HydrophobicContact CB-CB 4.34Å; N111-C215 WeakPolarHBondContact OD1-CA 3.19Å; N111-C215 PolarHBondContact OD1-O 2.98Å; N111-C215 VanDerWaalsContact OD1-O 3.1Å; C215-G218 PolarHBondContact SG-N 3.47Å; C215-R221 HydrophobicContact CB-CB 4.06Å; C215-S222 PolarHBondContact N-OG 2.88Å; C215-S222 PolarHBondContact SG-OG 2.91Å; C215-S222 VanDerWaalsContact SG-OG 3.34Å
216S98.2Very high98.4Very high4 Ų419 Ų193%0.02811%0.11CC..SBendtrans-78.2-54.1170.3-1660000112.6Y46 G86 K120Y46-S216 PolarHBondContact OH-OG 3.21Å; G86-S216 PolarHBondContact N-O 3.13Å; K120-S216 PolarHBondContact O-OG 2.86Å
217A98.3Very high98.5Very high18 Ų1813.4 Ų13.415%0.1497%0.074CC..SBendtrans-94.6-15.6179.300000113.9Y46 V49 I219 R257Y46-A217 HydrophobicContact CD2-CB 3.66Å; Y46-A217 HydrophobicContact CE2-CB 3.75Å; V49-A217 HydrophobicContact CG1-CB 4.45Å; V49-A217 HydrophobicContact CG2-CB 4.29Å; A217-I219 HydrophobicContact CB-CD1 4.37Å; A217-I219 HydrophobicContact CB-CG1 3.99Å; A217-R257 PolarHBondContact O-NH2 3.37Å
218G98.4Very high98.6Very high0 Ų07.5 Ų7.50%05%0.046CC..SBendtrans74.229.8-177.900000114.7T84 C215 R257T84-G218 WeakPolarHBondContact O-CA 3.44Å; C215-G218 PolarHBondContact SG-N 3.47Å; G218-R257 PolarHBondContact O-NE 2.66Å
219I98.6Very high98.6Very high6 Ų64.1 Ų4.13%0.0313%0.031CC..SBendtrans-135.8-45.5-176.461.7177.5000114.3V49 A217 G223 R257 M258 L260 I261 Q262V49-I219 HydrophobicContact CG1-CD1 3.99Å; V49-I219 HydrophobicContact CG1-CG2 3.86Å; V49-I219 HydrophobicContact CG2-CD1 3.73Å; A217-I219 HydrophobicContact CB-CD1 4.37Å; A217-I219 HydrophobicContact CB-CG1 3.99Å; I219-G223 WeakPolarHBondContact O-CA 3.47Å; I219-G223 PolarHBondContact O-N 2.81Å; I219-R257 HydrophobicContact CG2-CG 4.15Å; I219-M258 VanDerWaalsContact CG2-O 3.27Å; I219-M258 WeakPolarHBondContact CG2-O 3.3Å; I219-L260 HydrophobicContact CB-CD2 4.19Å; I219-L260 HydrophobicContact CG2-CD2 4.21Å; I219-L260 VanDerWaalsContact O-CA 3.3Å; I219-L260 WeakPolarHBondContact O-CA 3.32Å; I219-I261 PolarHBondContact O-N 3.33Å; I219-Q262 HydrophobicContact CD1-CG 4.1Å; I219-Q262 HydrophobicContact CG1-CG 3.91Å
220G98Very high98.7Very high6 Ų63.5 Ų3.56%0.0622%0.024CC..Hα-helixtrans-70.8-80.6-177.500000112.6S222 G223 T224G220-S222 VanDerWaalsContact C-N 3.33Å; G220-S222 PolarHBondContact O-N 3.17Å; G220-G223 PolarHBondContact O-N 2.8Å; G220-G223 VanDerWaalsContact O-N 3.11Å; G220-T224 PolarHBondContact O-N 3.39Å; G220-T224 PolarHBondContact O-OG1 3.2Å
221R98.4Very high98.6Very high5 Ų52.1 Ų2.12%0.0192%0.016CC..Hα-helixtrans-59.6-42.3179.9-61.8177.4-92.6-171.3-14.8112.3L110 N111 E115 W179 D181 C215 G223 T224 F225L110-R221 HydrophobicContact CB-CB 3.97Å; L110-R221 HydrophobicContact CD1-CB 4.09Å; L110-R221 WeakPolarHBondContact CD1-O 3.28Å; L110-R221 WeakPolarHBondContact O-CD 3.34Å; L110-R221 PolarHBondContact O-NE 3.18Å; L110-R221 PolarHBondContact O-NH1 2.7Å; N111-R221 VanDerWaalsContact CA-NH1 3.25Å; N111-R221 VanDerWaalsContact CB-NH1 3.28Å; E115-R221 IonicContact OE1-CZ 3.52Å; E115-R221 IonicContact OE1-NH1 2.94Å; E115-R221 PolarHBondContact OE1-NH1 2.97Å; E115-R221 IonicContact OE1-NH2 3.68Å; E115-R221 PolarHBondContact OE1-NH2 2.95Å; E115-R221 IonicContact OE2-CZ 2.61Å; E115-R221 IonicContact OE2-NH1 3.23Å; E115-R221 IonicContact OE2-NH2 3.77Å; E115-R221 PolarHBondContact OE2-NH2 2.81Å; W179-R221 HydrophobicContact CD2-CB 4.25Å; W179-R221 HydrophobicContact CD2-CG 3.93Å; W179-R221 HydrophobicContact CE3-CB 4.46Å; W179-R221 HydrophobicContact CG-CG 4.15Å; W179-R221 HydrophobicContact CH2-CB 4.33Å; W179-R221 HydrophobicContact CZ2-CB 4.1Å; W179-R221 HydrophobicContact CZ2-CG 4.02Å; W179-R221 HydrophobicContact CZ3-CB 4.49Å; W179-R221 PolarHBondContact O-NH1 3.24Å; D181-R221 IonicContact OD1-CZ 2.9Å; D181-R221 IonicContact OD1-NH2 3.76Å; D181-R221 PolarHBondContact OD1-NH2 2.93Å; C215-R221 HydrophobicContact CB-CB 4.06Å; R221-G223 VanDerWaalsContact C-N 3.32Å; R221-G223 PolarHBondContact O-N 3.1Å; R221-T224 WeakPolarHBondContact O-CB 3.34Å; R221-T224 PolarHBondContact O-N 2.85Å; R221-F225 PolarHBondContact O-N 2.85Å
222S98.8Very high98.6Very high0 Ų02 Ų20%02%0.015CC..Hα-helixtrans-61.3-39.2175.3-50.80000112.4H214 C215 G220 F225 C226H214-S222 WeakPolarHBondContact CA-OG 3.31Å; C215-S222 PolarHBondContact N-OG 2.88Å; C215-S222 PolarHBondContact SG-OG 2.91Å; C215-S222 VanDerWaalsContact SG-OG 3.34Å; G220-S222 VanDerWaalsContact C-N 3.33Å; G220-S222 PolarHBondContact O-N 3.17Å; S222-F225 PolarHBondContact O-N 2.84Å; S222-C226 PolarHBondContact O-N 3.48Å; S222-C226 VanDerWaalsContact O-N 3.11Å
223G98.8Very high98.5Very high0 Ų03.4 Ų3.40%02%0.022CC..Hα-helixtrans-64-44.7174.200000112.2I219 G220 R221 F225 L227I219-G223 WeakPolarHBondContact O-CA 3.47Å; I219-G223 PolarHBondContact O-N 2.81Å; G220-G223 PolarHBondContact O-N 2.8Å; G220-G223 VanDerWaalsContact O-N 3.11Å; R221-G223 VanDerWaalsContact C-N 3.32Å; R221-G223 PolarHBondContact O-N 3.1Å; G223-F225 PolarHBondContact O-N 2.82Å; G223-L227 WeakPolarHBondContact O-CB 3.41Å; G223-L227 PolarHBondContact O-N 3.36Å
224T98.8Very high98.4Very high0 Ų03.7 Ų3.70%02%0.023CC..Hα-helixtrans-59-45.9174.9-60.80000112W179 G220 R221 A228 F269W179-T224 HydrophobicContact CH2-CG2 3.68Å; W179-T224 HydrophobicContact CZ2-CG2 3.95Å; G220-T224 PolarHBondContact O-N 3.39Å; G220-T224 PolarHBondContact O-OG1 3.2Å; R221-T224 WeakPolarHBondContact O-CB 3.34Å; R221-T224 PolarHBondContact O-N 2.85Å; T224-A228 WeakPolarHBondContact O-CB 3.18Å; T224-A228 PolarHBondContact O-N 2.9Å; T224-A228 VanDerWaalsContact O-N 3.1Å; T224-F269 HydrophobicContact CG2-CD1 3.87Å; T224-F269 HydrophobicContact CG2-CE1 4.33Å
225F98.9Very high98.3Very high0 Ų03.7 Ų3.70%02%0.024CC..Hα-helixtrans-58.1-54.8178.5-178.8-90.7000112.1V108 L110 F191 F194 L195 V198 V213 R221 S222 G223 L227 D229V108-F225 HydrophobicContact CG1-CD2 4.39Å; V108-F225 HydrophobicContact CG1-CE1 4.34Å; V108-F225 HydrophobicContact CG1-CE2 4.13Å; V108-F225 HydrophobicContact CG1-CZ 4.11Å; V108-F225 HydrophobicContact CG2-CE1 4.35Å; V108-F225 HydrophobicContact CG2-CZ 4.18Å; L110-F225 HydrophobicContact CD1-CB 3.72Å; L110-F225 HydrophobicContact CD1-CG 4.28Å; L110-F225 HydrophobicContact CD2-CD2 4.43Å; F191-F225 HydrophobicContact CE2-CB 4.37Å; F191-F225 HydrophobicContact CE2-CD2 4.05Å; F191-F225 HydrophobicContact CZ-CD2 4.35Å; F194-F225 HydrophobicContact CD1-CE2 4.12Å; F194-F225 HydrophobicContact CE1-CE2 4Å; L195-F225 HydrophobicContact CB-CE2 4.25Å; L195-F225 HydrophobicContact CD1-CD2 4.36Å; L195-F225 HydrophobicContact CD1-CE1 4.15Å; L195-F225 HydrophobicContact CD1-CE2 3.61Å; L195-F225 HydrophobicContact CD1-CZ 3.48Å; L195-F225 VanDerWaalsContact CD1-CZ 3.48Å; V198-F225 HydrophobicContact CB-CZ 4.33Å; V198-F225 HydrophobicContact CG1-CZ 4.29Å; V198-F225 HydrophobicContact CG2-CZ 4.22Å; V213-F225 HydrophobicContact CG1-CD1 4.06Å; V213-F225 HydrophobicContact CG2-CD1 4.22Å; V213-F225 HydrophobicContact CG2-CE1 4.29Å; R221-F225 PolarHBondContact O-N 2.85Å; S222-F225 PolarHBondContact O-N 2.84Å; G223-F225 PolarHBondContact O-N 2.82Å; F225-L227 PolarHBondContact O-N 2.89Å; F225-D229 WeakPolarHBondContact O-CB 3.32Å; F225-D229 PolarHBondContact O-N 2.86Å; F225-D229 VanDerWaalsContact O-N 3.11Å
226C98.9Very high98.1Very high0 Ų06.3 Ų6.30%04%0.037CC..Hα-helixtrans-70.8-32.5-176.2-65.80000113Y81 S222 T230 M253Y81-C226 HydrophobicContact CD1-CB 4.35Å; Y81-C226 VanDerWaalsContact CD1-SG 3.54Å; Y81-C226 HydrophobicContact CD2-CB 4.25Å; Y81-C226 HydrophobicContact CE1-CB 4.36Å; Y81-C226 HydrophobicContact CE2-CB 4.25Å; Y81-C226 HydrophobicContact CG-CB 4.29Å; S222-C226 PolarHBondContact O-N 3.48Å; S222-C226 VanDerWaalsContact O-N 3.11Å; C226-T230 VanDerWaalsContact O-CB 3.29Å; C226-T230 WeakPolarHBondContact O-CB 3.32Å; C226-T230 PolarHBondContact O-N 3.07Å; C226-T230 PolarHBondContact O-OG1 3.13Å; C226-M253 HydrophobicContact CB-CE 3.34Å
227L98.9Very high97.9Very high0 Ų011 Ų110%06%0.057CC..Hα-helixtrans-64.8-50176.117962.6000110.8G223 F225 D229 T230 C231 I246 V249 L250 M253 I261G223-L227 WeakPolarHBondContact O-CB 3.41Å; G223-L227 PolarHBondContact O-N 3.36Å; F225-L227 PolarHBondContact O-N 2.89Å; L227-D229 VanDerWaalsContact C-N 3.34Å; L227-D229 PolarHBondContact O-N 3.48Å; L227-T230 PolarHBondContact O-N 3.27Å; L227-C231 WeakPolarHBondContact O-CB 3.28Å; L227-C231 PolarHBondContact O-N 3.28Å; L227-C231 PolarHBondContact O-SG 3.46Å; L227-C231 VanDerWaalsContact O-SG 3.36Å; L227-I246 HydrophobicContact CD1-CG2 4.4Å; L227-I246 HydrophobicContact CD2-CG2 3.81Å; L227-I246 HydrophobicContact CG-CG2 4.32Å; L227-V249 HydrophobicContact CD1-CB 3.97Å; L227-V249 HydrophobicContact CD1-CG1 3.62Å; L227-L250 HydrophobicContact CD1-CB 4Å; L227-L250 HydrophobicContact CD2-CB 4.04Å; L227-L250 HydrophobicContact CD2-CD1 4.26Å; L227-L250 HydrophobicContact CD2-CD2 4.32Å; L227-L250 HydrophobicContact CD2-CG 4.44Å; L227-M253 HydrophobicContact CB-SD 4.05Å; L227-M253 HydrophobicContact CD1-SD 3.91Å; L227-I261 HydrophobicContact CB-CD1 4.47Å; L227-I261 HydrophobicContact CD2-CD1 3.38Å
228A98.7Very high97.7Very high0 Ų014 Ų140%07%0.065CC..Hα-helixtrans-60-46.217900000111.3F191 T224 T230 C231 L232 A273 V274F191-A228 HydrophobicContact CE1-CB 3.71Å; F191-A228 HydrophobicContact CZ-CB 3.86Å; T224-A228 WeakPolarHBondContact O-CB 3.18Å; T224-A228 PolarHBondContact O-N 2.9Å; T224-A228 VanDerWaalsContact O-N 3.1Å; A228-T230 PolarHBondContact O-N 3.44Å; A228-C231 PolarHBondContact O-N 3.33Å; A228-L232 WeakPolarHBondContact O-CB 3.1Å; A228-L232 VanDerWaalsContact O-CG 3.27Å; A228-L232 WeakPolarHBondContact O-CG 3.38Å; A228-L232 PolarHBondContact O-N 2.64Å; A228-A273 HydrophobicContact CB-CB 4.4Å; A228-V274 HydrophobicContact CB-CG2 4.11Å
229D98.8Very high97.2Very high0 Ų021.1 Ų21.10%010%0.096CC..Hα-helixtrans-58.9-47.3176.9-176.154.9000112.7R79 Y81 L195 R199 F225 L227 L232 L233R79-D229 WeakPolarHBondContact CD-OD2 3.49Å; R79-D229 IonicContact CZ-OD2 3.71Å; R79-D229 IonicContact NE-OD2 3.46Å; R79-D229 IonicContact NH1-OD1 3.07Å; R79-D229 PolarHBondContact NH1-OD1 3.03Å; R79-D229 IonicContact NH1-OD2 2.64Å; R79-D229 PolarHBondContact NH1-OD2 3.39Å; Y81-D229 WeakPolarHBondContact CE1-OD2 3.49Å; Y81-D229 PolarHBondContact OH-OD2 2.86Å; L195-D229 HydrophobicContact CD1-CB 3.86Å; L195-D229 HydrophobicContact CD2-CB 4.28Å; R199-D229 IonicContact CZ-OD1 2.7Å; R199-D229 IonicContact NE-OD1 3.73Å; R199-D229 PolarHBondContact NE-OD1 2.93Å; R199-D229 PolarHBondContact NH2-O 3.08Å; R199-D229 IonicContact NH2-OD1 2.78Å; R199-D229 PolarHBondContact NH2-OD1 2.81Å; F225-D229 WeakPolarHBondContact O-CB 3.32Å; F225-D229 PolarHBondContact O-N 2.86Å; F225-D229 VanDerWaalsContact O-N 3.11Å; L227-D229 VanDerWaalsContact C-N 3.34Å; L227-D229 PolarHBondContact O-N 3.48Å; D229-L232 PolarHBondContact O-N 3.03Å; D229-L233 WeakPolarHBondContact O-CB 3.47Å; D229-L233 PolarHBondContact O-N 2.9Å
230T98.8Very high96.7Very high0 Ų024 Ų240%011%0.111CC..Hα-helixtrans-64.5-45.6-179.4-60.60000111.3M74 A77 Y81 C226 L227 A228 L233 L234 V249M74-T230 HydrophobicContact CB-CG2 4.19Å; M74-T230 HydrophobicContact CE-CG2 4.06Å; M74-T230 HydrophobicContact CG-CG2 3.99Å; A77-T230 HydrophobicContact CB-CG2 3.88Å; Y81-T230 PolarHBondContact OH-OG1 3.47Å; Y81-T230 VanDerWaalsContact OH-OG1 3.06Å; C226-T230 VanDerWaalsContact O-CB 3.29Å; C226-T230 WeakPolarHBondContact O-CB 3.32Å; C226-T230 PolarHBondContact O-N 3.07Å; C226-T230 PolarHBondContact O-OG1 3.13Å; L227-T230 PolarHBondContact O-N 3.27Å; A228-T230 PolarHBondContact O-N 3.44Å; T230-L233 PolarHBondContact O-N 3.35Å; T230-L234 HydrophobicContact CG2-CD1 4.09Å; T230-L234 HydrophobicContact CG2-CG 4.41Å; T230-L234 WeakPolarHBondContact O-CG 3.47Å; T230-L234 PolarHBondContact O-N 3.37Å; T230-V249 HydrophobicContact CG2-CG1 3.79Å
231C98.4Very high96.2Very high0 Ų024.7 Ų24.70%011%0.114CC..Hα-helixtrans-60.3-48.5178.3-73.20000111.2L227 A228 L233 L234 M235 V244 V274L227-C231 WeakPolarHBondContact O-CB 3.28Å; L227-C231 PolarHBondContact O-N 3.28Å; L227-C231 PolarHBondContact O-SG 3.46Å; L227-C231 VanDerWaalsContact O-SG 3.36Å; A228-C231 PolarHBondContact O-N 3.33Å; C231-L233 VanDerWaalsContact C-N 3.27Å; C231-L233 PolarHBondContact O-N 2.89Å; C231-L234 PolarHBondContact O-N 3.28Å; C231-M235 WeakPolarHBondContact O-CG 3.39Å; C231-M235 PolarHBondContact O-N 3.24Å; C231-V244 HydrophobicContact CB-CG1 4.05Å; C231-V274 HydrophobicContact CB-CB 4.45Å; C231-V274 HydrophobicContact CB-CG1 3.78Å; C231-V274 HydrophobicContact CB-CG2 3.7Å
232L97.6Very high95.8Very high0 Ų027 Ų270%013%0.132CC..Hα-helixtrans-59.7-37.9177-69.1172.9000112.2L192 L195 A228 D229 M235 D236 V274 G277 I281L192-L232 HydrophobicContact CD2-CD1 4Å; L195-L232 HydrophobicContact CD2-CD1 4.05Å; A228-L232 WeakPolarHBondContact O-CB 3.1Å; A228-L232 VanDerWaalsContact O-CG 3.27Å; A228-L232 WeakPolarHBondContact O-CG 3.38Å; A228-L232 PolarHBondContact O-N 2.64Å; D229-L232 PolarHBondContact O-N 3.03Å; L232-M235 HydrophobicContact CD2-SD 4.4Å; L232-D236 PolarHBondContact O-N 3.39Å; L232-V274 HydrophobicContact CD2-CG1 4.27Å; L232-G277 VanDerWaalsContact CD2-C 3.41Å; L232-I281 HydrophobicContact CB-CG1 4.45Å; L232-I281 HydrophobicContact CD2-CG1 4.13Å
233L97.3Very high95.5Very high29 Ų2929.2 Ų29.215%0.15215%0.147CC..Hα-helixtrans-68.6-40.1177-174.260.6000112.5A77 R79 D229 T230 C231 D236 K237A77-L233 HydrophobicContact CB-CD2 4.12Å; A77-L233 WeakPolarHBondContact O-CD2 3.43Å; R79-L233 HydrophobicContact CB-CD2 3.84Å; D229-L233 WeakPolarHBondContact O-CB 3.47Å; D229-L233 PolarHBondContact O-N 2.9Å; T230-L233 PolarHBondContact O-N 3.35Å; C231-L233 VanDerWaalsContact C-N 3.27Å; C231-L233 PolarHBondContact O-N 2.89Å; L233-D236 PolarHBondContact O-N 3.04Å; L233-K237 WeakPolarHBondContact O-CB 3.44Å; L233-K237 PolarHBondContact O-N 3.06Å
234L97.6Very high95.3Very high5 Ų529.6 Ų29.63%0.02615%0.149CC..Hα-helixtrans-64.3-41.4175.1-72.9171.5000111.6E76 A77 T230 C231 D236 K237 R238 V244 V249E76-L234 HydrophobicContact CB-CD2 4.02Å; E76-L234 HydrophobicContact CG-CD2 3.77Å; A77-L234 HydrophobicContact CB-CD2 3.89Å; A77-L234 HydrophobicContact CB-CG 4.08Å; T230-L234 HydrophobicContact CG2-CD1 4.09Å; T230-L234 HydrophobicContact CG2-CG 4.41Å; T230-L234 WeakPolarHBondContact O-CG 3.47Å; T230-L234 PolarHBondContact O-N 3.37Å; C231-L234 PolarHBondContact O-N 3.28Å; L234-D236 VanDerWaalsContact C-N 3.34Å; L234-K237 PolarHBondContact O-N 2.78Å; L234-R238 WeakPolarHBondContact O-CB 3.33Å; L234-R238 VanDerWaalsContact O-CG 3.27Å; L234-R238 WeakPolarHBondContact O-CG 3.29Å; L234-R238 PolarHBondContact O-N 3.47Å; L234-V244 HydrophobicContact CB-CG2 3.86Å; L234-V249 HydrophobicContact CD1-CG2 3.68Å
235M95.4Very high95.3Very high1 Ų132.9 Ų32.91%0.00517%0.167CC..Hα-helixtrans-60.5-46175.7-66.3170.561.500111M1 C231 L232 K239 P241 V244 V274 A278 I281M1-M235 HydrophobicContact SD-CE 4.23Å; C231-M235 WeakPolarHBondContact O-CG 3.39Å; C231-M235 PolarHBondContact O-N 3.24Å; L232-M235 HydrophobicContact CD2-SD 4.4Å; M235-K239 WeakPolarHBondContact O-CA 3.06Å; M235-K239 PolarHBondContact O-N 2.52Å; M235-P241 HydrophobicContact CE-CB 3.5Å; M235-P241 VanDerWaalsContact CE-CB 3.5Å; M235-P241 HydrophobicContact CE-CG 3.91Å; M235-V244 HydrophobicContact CB-CG2 4.4Å; M235-V244 HydrophobicContact CG-CB 3.93Å; M235-V244 HydrophobicContact CG-CG1 4.37Å; M235-V244 HydrophobicContact CG-CG2 3.51Å; M235-V274 HydrophobicContact SD-CG1 3.6Å; M235-A278 HydrophobicContact CE-CB 3.21Å; M235-A278 HydrophobicContact SD-CB 4.46Å; M235-I281 HydrophobicContact CB-CG2 4.37Å
236D94.3Very high95.2Very high59 Ų5932.9 Ų32.932%0.31617%0.167SC..Hα-helixtrans-63.5-45.2177.1-17240.2000111.5L232 L233 L234 R238 K239 I281L232-D236 PolarHBondContact O-N 3.39Å; L233-D236 PolarHBondContact O-N 3.04Å; L234-D236 VanDerWaalsContact C-N 3.34Å; D236-R238 PolarHBondContact O-N 2.93Å; D236-K239 VanDerWaalsContact O-CD 3.26Å; D236-K239 WeakPolarHBondContact O-CD 3.17Å; D236-K239 WeakPolarHBondContact O-CE 3.39Å; D236-K239 WeakPolarHBondContact O-CG 3.1Å; D236-K239 PolarHBondContact O-N 3.36Å; D236-K239 PolarHBondContact O-NZ 2.92Å; D236-K239 IonicContact OD1-NZ 2.64Å; D236-K239 PolarHBondContact OD1-NZ 3.45Å; D236-K239 IonicContact OD2-NZ 3.85Å; D236-I281 HydrophobicContact CB-CD1 4.26Å; D236-I281 HydrophobicContact CB-CG2 3.62Å
237K94.5Very high95.2Very high101 Ų10135.7 Ų35.744%0.43918%0.179SC..Hα-helixtrans-63.9-42-179.1-169.6177.7-175.5-179.30112.7E76 L233 L234E76-K237 WeakPolarHBondContact O-CD 3.42Å; E76-K237 PolarHBondContact O-NZ 3.19Å; L233-K237 WeakPolarHBondContact O-CB 3.44Å; L233-K237 PolarHBondContact O-N 3.06Å; L234-K237 PolarHBondContact O-N 2.78Å
238R93.8Very high95.2Very high82 Ų8242.5 Ų42.531%0.30921%0.209SC..Hα-helixtrans-82.5-17.2-178.9-63174-172.3172.80.2112.8E76 L234 D236 D240 S243E76-R238 IonicContact OE1-CZ 3.11Å; E76-R238 IonicContact OE1-NE 2.71Å; E76-R238 PolarHBondContact OE1-NE 3.32Å; E76-R238 IonicContact OE1-NH2 2.77Å; E76-R238 PolarHBondContact OE1-NH2 3.34Å; E76-R238 IonicContact OE2-CZ 3.85Å; E76-R238 IonicContact OE2-NH2 2.78Å; E76-R238 PolarHBondContact OE2-NH2 2.97Å; L234-R238 WeakPolarHBondContact O-CB 3.33Å; L234-R238 VanDerWaalsContact O-CG 3.27Å; L234-R238 WeakPolarHBondContact O-CG 3.29Å; L234-R238 PolarHBondContact O-N 3.47Å; D236-R238 PolarHBondContact O-N 2.93Å; R238-D240 PolarHBondContact O-N 2.8Å; R238-D240 VanDerWaalsContact O-N 3.14Å; R238-S243 WeakPolarHBondContact CD-OG 3.16Å; R238-S243 VanDerWaalsContact NH1-C 3.31Å; R238-S243 PolarHBondContact NH1-O 2.52Å; R238-S243 PolarHBondContact NH1-OG 3.31Å; R238-S243 VanDerWaalsContact NH1-OG 3.17Å
239K87.9Confident95.2Very high149 Ų14943.2 Ų43.265%0.64821%0.213SC*.THydrogen-bonded Turntrans52.727.5-170.9-59.7-69.2-173.8-106.50112.6M235 D236M235-K239 WeakPolarHBondContact O-CA 3.06Å; M235-K239 PolarHBondContact O-N 2.52Å; D236-K239 VanDerWaalsContact O-CD 3.26Å; D236-K239 WeakPolarHBondContact O-CD 3.17Å; D236-K239 WeakPolarHBondContact O-CE 3.39Å; D236-K239 WeakPolarHBondContact O-CG 3.1Å; D236-K239 PolarHBondContact O-N 3.36Å; D236-K239 PolarHBondContact O-NZ 2.92Å; D236-K239 IonicContact OD1-NZ 2.64Å; D236-K239 PolarHBondContact OD1-NZ 3.45Å; D236-K239 IonicContact OD2-NZ 3.85Å
240D87.6Confident95.2Very high66 Ų6643.2 Ų43.235%0.35321%0.213SC..  trans-142.296.9179.2179.37.1000110R238 S242 S243R238-D240 PolarHBondContact O-N 2.8Å; R238-D240 VanDerWaalsContact O-N 3.14Å; D240-S242 PolarHBondContact O-N 2.9Å; D240-S242 WeakPolarHBondContact OD1-CB 3.05Å; D240-S242 PolarHBondContact OD1-N 3.39Å; D240-S242 PolarHBondContact OD1-OG 3.24Å; D240-S242 PolarHBondContact OD2-OG 3.04Å; D240-S243 PolarHBondContact O-N 3.1Å; D240-S243 PolarHBondContact O-OG 3.1Å
241P87.9Confident95.2Very high21 Ų2144.8 Ų44.814%0.13622%0.221CC..G310 helixtrans-55-31174.4-3138.6000115.2M1 M235 S243 M282M1-P241 HydrophobicContact CG-CB 3.85Å; M1-P241 HydrophobicContact SD-CB 3.48Å; M1-P241 WeakPolarHBondContact SD-CB 2.96Å; M1-P241 HydrophobicContact SD-CG 4.21Å; M235-P241 HydrophobicContact CE-CB 3.5Å; M235-P241 VanDerWaalsContact CE-CB 3.5Å; M235-P241 HydrophobicContact CE-CG 3.91Å; P241-S243 VanDerWaalsContact C-N 3.26Å; P241-S243 PolarHBondContact O-N 2.88Å; P241-M282 HydrophobicContact CG-CG 3.86Å; P241-M282 HydrophobicContact CG-SD 3.76Å
242S89.7Confident95.2Very high54 Ų5448.2 Ų48.238%0.37824%0.237SC..G310 helixtrans-74.4-19-17669.10000113D240 V244D240-S242 PolarHBondContact O-N 2.9Å; D240-S242 WeakPolarHBondContact OD1-CB 3.05Å; D240-S242 PolarHBondContact OD1-N 3.39Å; D240-S242 PolarHBondContact OD1-OG 3.24Å; D240-S242 PolarHBondContact OD2-OG 3.04Å; S242-V244 VanDerWaalsContact C-N 3.29Å; S242-V244 PolarHBondContact O-N 3.45Å
243S92.2Very high95.3Very high47 Ų4748.2 Ų48.233%0.32924%0.237SC..G310 helixtrans-75.8-12.518072.60000114.6R238 D240 P241R238-S243 WeakPolarHBondContact CD-OG 3.16Å; R238-S243 VanDerWaalsContact NH1-C 3.31Å; R238-S243 PolarHBondContact NH1-O 2.52Å; R238-S243 PolarHBondContact NH1-OG 3.31Å; R238-S243 VanDerWaalsContact NH1-OG 3.17Å; D240-S243 PolarHBondContact O-N 3.1Å; D240-S243 PolarHBondContact O-OG 3.1Å; P241-S243 VanDerWaalsContact C-N 3.26Å; P241-S243 PolarHBondContact O-N 2.88Å
244V96.4Very high95.3Very high7 Ų747.1 Ų47.14%0.04223%0.231CC..  trans-95.4109.2-171.3178.50000111.2C231 L234 M235 S242 V249C231-V244 HydrophobicContact CB-CG1 4.05Å; L234-V244 HydrophobicContact CB-CG2 3.86Å; M235-V244 HydrophobicContact CB-CG2 4.4Å; M235-V244 HydrophobicContact CG-CB 3.93Å; M235-V244 HydrophobicContact CG-CG1 4.37Å; M235-V244 HydrophobicContact CG-CG2 3.51Å; S242-V244 VanDerWaalsContact C-N 3.29Å; S242-V244 PolarHBondContact O-N 3.45Å; V244-V249 HydrophobicContact CG1-CG2 4.49Å
245D97.3Very high95.4Very high69 Ų6950.4 Ų50.437%0.36925%0.245SC..  trans-90.5107.7171.1179.2-19.2000110.3K247 K248 V249D245-K247 VanDerWaalsContact C-N 3.32Å; D245-K247 PolarHBondContact O-N 2.7Å; D245-K247 WeakPolarHBondContact OD1-CB 3.49Å; D245-K247 PolarHBondContact OD1-N 3.11Å; D245-K248 HydrophobicContact CB-CB 3.9Å; D245-K248 PolarHBondContact O-N 2.83Å; D245-K248 PolarHBondContact OD1-N 2.74Å; D245-V249 WeakPolarHBondContact O-CG2 3.07Å; D245-V249 PolarHBondContact O-N 3.17Å
246I98.2Very high95.6Very high1 Ų152.2 Ų52.21%0.00525%0.253CS..Hα-helixtrans-59.1-41.2-179.5-68.4-174.8000111.9M3 L227 V249 L250 Y271 V274M3-I246 HydrophobicContact CE-CD1 3.21Å; M3-I246 HydrophobicContact CE-CG1 3.91Å; L227-I246 HydrophobicContact CD1-CG2 4.4Å; L227-I246 HydrophobicContact CD2-CG2 3.81Å; L227-I246 HydrophobicContact CG-CG2 4.32Å; I246-V249 PolarHBondContact O-N 2.75Å; I246-L250 WeakPolarHBondContact O-CB 3.29Å; I246-L250 PolarHBondContact O-N 3.37Å; I246-Y271 HydrophobicContact CB-CE1 4.43Å; I246-Y271 HydrophobicContact CB-CE2 3.94Å; I246-Y271 HydrophobicContact CD1-CD1 3.82Å; I246-Y271 HydrophobicContact CD1-CD2 3.99Å; I246-Y271 HydrophobicContact CD1-CE1 4.05Å; I246-Y271 HydrophobicContact CD1-CE2 4.21Å; I246-Y271 HydrophobicContact CD1-CG 3.79Å; I246-Y271 HydrophobicContact CG2-CD2 4.08Å; I246-Y271 HydrophobicContact CG2-CE2 3.72Å; I246-V274 HydrophobicContact CD1-CB 3.97Å; I246-V274 HydrophobicContact CD1-CG1 4.22Å; I246-V274 HydrophobicContact CD1-CG2 4.11Å
247K98.3Very high95.8Very high58 Ų5849.4 Ų49.425%0.25224%0.238SC..Hα-helixtrans-66.8-43.2-176.4-58.3175-61.8-164.40109.8E6 I19 I23 D245 L250 L251 Y271E6-K247 WeakPolarHBondContact OE1-CE 3.48Å; E6-K247 IonicContact OE1-NZ 3.56Å; E6-K247 PolarHBondContact OE1-NZ 3.12Å; I19-K247 HydrophobicContact CG2-CD 3.98Å; I23-K247 HydrophobicContact CD1-CB 4.15Å; I23-K247 HydrophobicContact CD1-CD 4.48Å; I23-K247 HydrophobicContact CD1-CG 3.95Å; I23-K247 HydrophobicContact CG1-CB 4.48Å; D245-K247 VanDerWaalsContact C-N 3.32Å; D245-K247 PolarHBondContact O-N 2.7Å; D245-K247 WeakPolarHBondContact OD1-CB 3.49Å; D245-K247 PolarHBondContact OD1-N 3.11Å; K247-L250 PolarHBondContact O-N 3.13Å; K247-L251 WeakPolarHBondContact O-CG 3.32Å; K247-L251 PolarHBondContact O-N 3.16Å; K247-Y271 WeakPolarHBondContact CG-OH 3.47Å
248K98.3Very high96Very high144 Ų14446.6 Ų46.663%0.62623%0.227SC*.Hα-helixtrans-63.4-41.8176.4-170.7177.3-179.9-179.40112D245 L250 L251 E252D245-K248 HydrophobicContact CB-CB 3.9Å; D245-K248 PolarHBondContact O-N 2.83Å; D245-K248 PolarHBondContact OD1-N 2.74Å; K248-L250 VanDerWaalsContact C-N 3.35Å; K248-L251 PolarHBondContact O-N 3.33Å; K248-E252 PolarHBondContact O-N 3.07Å
249V98.8Very high96.2Very high14 Ų1443.8 Ų43.89%0.08522%0.224CC..Hα-helixtrans-62.2-43.3174.6176.90000110.8M74 L227 T230 L234 V244 D245 I246 E252 M253M74-V249 HydrophobicContact CE-CG1 4.21Å; L227-V249 HydrophobicContact CD1-CB 3.97Å; L227-V249 HydrophobicContact CD1-CG1 3.62Å; T230-V249 HydrophobicContact CG2-CG1 3.79Å; L234-V249 HydrophobicContact CD1-CG2 3.68Å; V244-V249 HydrophobicContact CG1-CG2 4.49Å; D245-V249 WeakPolarHBondContact O-CG2 3.07Å; D245-V249 PolarHBondContact O-N 3.17Å; I246-V249 PolarHBondContact O-N 2.75Å; V249-E252 WeakPolarHBondContact O-CB 3.42Å; V249-E252 PolarHBondContact O-N 3.38Å; V249-M253 HydrophobicContact CG1-SD 4.29Å; V249-M253 WeakPolarHBondContact O-CG 3.49Å; V249-M253 PolarHBondContact O-N 3.27Å
250L98.8Very high96.7Very high0 Ų036.7 Ų36.70%019%0.193CC..Hα-helixtrans-63.5-42.417717857.7000112.5I23 L227 I246 K247 K248 E252 M253 R254 L260 I261 L267I23-L250 HydrophobicContact CD1-CD2 4.25Å; I23-L250 HydrophobicContact CG2-CD2 3.92Å; I23-L250 HydrophobicContact CG2-CG 4.26Å; L227-L250 HydrophobicContact CD1-CB 4Å; L227-L250 HydrophobicContact CD2-CB 4.04Å; L227-L250 HydrophobicContact CD2-CD1 4.26Å; L227-L250 HydrophobicContact CD2-CD2 4.32Å; L227-L250 HydrophobicContact CD2-CG 4.44Å; I246-L250 WeakPolarHBondContact O-CB 3.29Å; I246-L250 PolarHBondContact O-N 3.37Å; K247-L250 PolarHBondContact O-N 3.13Å; K248-L250 VanDerWaalsContact C-N 3.35Å; L250-E252 VanDerWaalsContact C-N 3.31Å; L250-E252 PolarHBondContact O-N 3.42Å; L250-M253 PolarHBondContact O-N 3.12Å; L250-R254 HydrophobicContact CD1-CG 4.3Å; L250-R254 WeakPolarHBondContact O-CB 3.45Å; L250-R254 WeakPolarHBondContact O-CG 3.48Å; L250-R254 PolarHBondContact O-N 3.47Å; L250-L260 HydrophobicContact CD1-CB 4.05Å; L250-I261 HydrophobicContact CD1-CB 4.5Å; L250-I261 HydrophobicContact CD1-CD1 4.1Å; L250-I261 HydrophobicContact CD1-CG1 4.17Å; L250-I261 HydrophobicContact CD2-CB 4.4Å; L250-I261 HydrophobicContact CD2-CD1 3.99Å; L250-L267 HydrophobicContact CD2-CD1 3.96Å
251L98.8Very high97.2Very high34 Ų3433.6 Ų33.618%0.17818%0.176CC..Hα-helixtrans-61.5-40.5174.7-74.6168.5000111.4I23 E26 K247 K248 R254 K255I23-L251 HydrophobicContact CG2-CD2 3.98Å; I23-L251 HydrophobicContact CG2-CG 4.33Å; E26-L251 HydrophobicContact CB-CD1 4.41Å; E26-L251 HydrophobicContact CB-CD2 3.88Å; E26-L251 WeakPolarHBondContact OE2-CD1 3.46Å; K247-L251 WeakPolarHBondContact O-CG 3.32Å; K247-L251 PolarHBondContact O-N 3.16Å; K248-L251 PolarHBondContact O-N 3.33Å; L251-R254 PolarHBondContact O-N 2.94Å; L251-K255 PolarHBondContact O-N 2.79Å
252E98.8Very high97.7Very high71 Ų7136 Ų3633%0.33219%0.185SC..Hα-helixtrans-61.4-48.2174.3-168.562.3-140.500111.5M74 K248 V249 L250 R254 K255 F256M74-E252 HydrophobicContact CE-CB 4.14Å; M74-E252 HydrophobicContact CE-CG 3.94Å; K248-E252 PolarHBondContact O-N 3.07Å; V249-E252 WeakPolarHBondContact O-CB 3.42Å; V249-E252 PolarHBondContact O-N 3.38Å; L250-E252 VanDerWaalsContact C-N 3.31Å; L250-E252 PolarHBondContact O-N 3.42Å; E252-R254 VanDerWaalsContact C-N 3.28Å; E252-R254 PolarHBondContact O-N 3.43Å; E252-K255 VanDerWaalsContact O-CB 3.28Å; E252-K255 WeakPolarHBondContact O-CB 3.3Å; E252-K255 PolarHBondContact O-N 3.21Å; E252-K255 VanDerWaalsContact O-N 3.11Å; E252-K255 WeakPolarHBondContact OE1-CD 3.39Å; E252-K255 IonicContact OE1-NZ 3.54Å; E252-K255 PolarHBondContact OE1-NZ 3.11Å; E252-K255 VanDerWaalsContact OE1-NZ 3.07Å; E252-K255 WeakPolarHBondContact OE2-CE 3.19Å; E252-K255 IonicContact OE2-NZ 2.79Å; E252-K255 PolarHBondContact OE2-NZ 3.08Å; E252-F256 WeakPolarHBondContact O-CD2 3.35Å
253M98.9Very high98.1Very high0 Ų034.8 Ų34.80%018%0.176CC..Hα-helixtrans-61.2-37.6176.7-67.1176.380.500112.2I72 M74 C226 L227 V249 L250 K255 F256 L260I72-M253 HydrophobicContact CG2-CB 4.26Å; I72-M253 HydrophobicContact CG2-CE 4.32Å; I72-M253 HydrophobicContact CG2-CG 4.26Å; M74-M253 HydrophobicContact CE-CG 3.63Å; M74-M253 HydrophobicContact SD-CB 4.43Å; M74-M253 HydrophobicContact SD-CG 3.49Å; M74-M253 WeakPolarHBondContact SD-CG 3.4Å; C226-M253 HydrophobicContact CB-CE 3.34Å; L227-M253 HydrophobicContact CB-SD 4.05Å; L227-M253 HydrophobicContact CD1-SD 3.91Å; V249-M253 HydrophobicContact CG1-SD 4.29Å; V249-M253 WeakPolarHBondContact O-CG 3.49Å; V249-M253 PolarHBondContact O-N 3.27Å; L250-M253 PolarHBondContact O-N 3.12Å; M253-K255 PolarHBondContact O-N 2.88Å; M253-F256 PolarHBondContact O-N 2.92Å; M253-L260 HydrophobicContact CB-CD1 3.72Å; M253-L260 HydrophobicContact CE-CD1 4.44Å
254R98.8Very high98.4Very high7 Ų733.5 Ų33.53%0.02617%0.168CC..Hα-helixtrans-66.7-13.5178.1-80.9-175.9171.2-165.61.4113.7I23 F52 L250 L251 E252 F256 R257 L260 I261I23-R254 PolarHBondContact O-NH1 3.35Å; F52-R254 WeakPolarHBondContact CE2-O 3.36Å; L250-R254 HydrophobicContact CD1-CG 4.3Å; L250-R254 WeakPolarHBondContact O-CB 3.45Å; L250-R254 WeakPolarHBondContact O-CG 3.48Å; L250-R254 PolarHBondContact O-N 3.47Å; L251-R254 PolarHBondContact O-N 2.94Å; E252-R254 VanDerWaalsContact C-N 3.28Å; E252-R254 PolarHBondContact O-N 3.43Å; R254-F256 PolarHBondContact O-N 3.48Å; R254-R257 WeakPolarHBondContact CA-O 3.4Å; R254-L260 HydrophobicContact CG-CB 4Å; R254-L260 HydrophobicContact CG-CG 4.39Å; R254-L260 PolarHBondContact NE-O 3.04Å; R254-L260 PolarHBondContact NH2-O 3.45Å; R254-I261 PolarHBondContact NH2-O 2.95Å
255K98.8Very high98.4Very high74 Ų7438 Ų3832%0.32219%0.192SC..THydrogen-bonded Turntrans-65.3-25.5167.9-64.1174.7-177.7171.60112.6F30 F52 H54 L251 E252 M253F30-K255 WeakPolarHBondContact CD2-O 3.45Å; F30-K255 HydrophobicContact CE2-CB 4.06Å; F30-K255 HydrophobicContact CE2-CG 4.43Å; F30-K255 WeakPolarHBondContact CE2-O 3.35Å; F52-K255 WeakPolarHBondContact CD2-O 3.36Å; H54-K255 PolarHBondContact CE1-O 3.35Å; H54-K255 PolarHBondContact NE2-O 2.81Å; L251-K255 PolarHBondContact O-N 2.79Å; E252-K255 VanDerWaalsContact O-CB 3.28Å; E252-K255 WeakPolarHBondContact O-CB 3.3Å; E252-K255 PolarHBondContact O-N 3.21Å; E252-K255 VanDerWaalsContact O-N 3.11Å; E252-K255 WeakPolarHBondContact OE1-CD 3.39Å; E252-K255 IonicContact OE1-NZ 3.54Å; E252-K255 PolarHBondContact OE1-NZ 3.11Å; E252-K255 VanDerWaalsContact OE1-NZ 3.07Å; E252-K255 WeakPolarHBondContact OE2-CE 3.19Å; E252-K255 IonicContact OE2-NZ 2.79Å; E252-K255 PolarHBondContact OE2-NZ 3.08Å; M253-K255 PolarHBondContact O-N 2.88Å
256F98.9Very high98.5Very high38 Ų3834.9 Ų34.917%0.16718%0.175CC..THydrogen-bonded Turntrans-97.7-28.5-175.6-62-89.4000113.3S55 L71 I72 K73 E252 M253 R254S55-F256 WeakPolarHBondContact CB-O 3.34Å; S55-F256 PolarHBondContact OG-O 2.71Å; L71-F256 VanDerWaalsContact O-CD1 3.28Å; L71-F256 WeakPolarHBondContact O-CD1 3.39Å; I72-F256 HydrophobicContact CB-CB 4.36Å; I72-F256 HydrophobicContact CD1-CB 3.42Å; I72-F256 VanDerWaalsContact CD1-CB 3.42Å; I72-F256 HydrophobicContact CG1-CB 4.44Å; I72-F256 HydrophobicContact CG2-CB 4.21Å; I72-F256 HydrophobicContact CG2-CD2 4.11Å; I72-F256 HydrophobicContact CG2-CG 4.32Å; K73-F256 HydrophobicContact CB-CE1 4.07Å; K73-F256 HydrophobicContact CB-CZ 4.26Å; K73-F256 VanDerWaalsContact O-CZ 3.22Å; K73-F256 WeakPolarHBondContact O-CZ 3.06Å; E252-F256 WeakPolarHBondContact O-CD2 3.35Å; M253-F256 PolarHBondContact O-N 2.92Å; R254-F256 PolarHBondContact O-N 3.48Å
257R98.9Very high98.5Very high0 Ų034.9 Ų34.90%018%0.175CC..BIsolated β-bridgetrans-149.3133.9175.3-172.2172.8-179.577.70.5110.3N68 S70 I72 A217 G218 I219 R254 L260N68-R257 PolarHBondContact OD1-NH1 3.37Å; N68-R257 PolarHBondContact OD1-NH2 2.76Å; S70-R257 PolarHBondContact OG-NH1 3.31Å; S70-R257 VanDerWaalsContact OG-NH1 3.08Å; I72-R257 HydrophobicContact CD1-CB 3.62Å; A217-R257 PolarHBondContact O-NH2 3.37Å; G218-R257 PolarHBondContact O-NE 2.66Å; I219-R257 HydrophobicContact CG2-CG 4.15Å; R254-R257 WeakPolarHBondContact CA-O 3.4Å; R257-L260 HydrophobicContact CB-CD2 4.18Å; R257-L260 HydrophobicContact CB-CG 4.45Å; R257-L260 HydrophobicContact CG-CD2 4.25Å
258M98.7Very high98.5Very high43 Ų4335.5 Ų35.521%0.21218%0.176CC..THydrogen-bonded Turntrans-60.8151179.362.7177.659.400112.8C32 S50 F52 I219 L260C32-M258 WeakPolarHBondContact SG-CE 3.43Å; S50-M258 PolarHBondContact N-SD 3.08Å; S50-M258 VanDerWaalsContact O-CE 3.28Å; S50-M258 WeakPolarHBondContact O-CE 3.39Å; F52-M258 HydrophobicContact CD1-CE 4.37Å; F52-M258 HydrophobicContact CE1-CB 4.19Å; F52-M258 HydrophobicContact CE1-CE 3.85Å; F52-M258 HydrophobicContact CE2-CB 4.46Å; F52-M258 HydrophobicContact CZ-CB 3.77Å; I219-M258 VanDerWaalsContact CG2-O 3.27Å; I219-M258 WeakPolarHBondContact CG2-O 3.3Å; M258-L260 VanDerWaalsContact C-N 3.26Å; M258-L260 PolarHBondContact O-N 3.22Å; M258-L260 VanDerWaalsContact O-N 3.11Å
259G98.3Very high98.5Very high23 Ų2329 Ų2924%0.23715%0.148CC..THydrogen-bonded Turntrans6617.4161.500000116.4I261 Q262G259-I261 PolarHBondContact O-N 3.15Å; G259-Q262 PolarHBondContact O-NE2 2.78Å
260L98.8Very high98.5Very high0 Ų028.4 Ų28.40%014%0.144CC..  trans-55.7130175-60.1-175.3000110.2L83 I219 L250 M253 R254 R257 M258L83-L260 HydrophobicContact CD2-CD1 4.37Å; L83-L260 HydrophobicContact CD2-CD2 3.45Å; L83-L260 VanDerWaalsContact CD2-CD2 3.45Å; I219-L260 HydrophobicContact CB-CD2 4.19Å; I219-L260 HydrophobicContact CG2-CD2 4.21Å; I219-L260 VanDerWaalsContact O-CA 3.3Å; I219-L260 WeakPolarHBondContact O-CA 3.32Å; L250-L260 HydrophobicContact CD1-CB 4.05Å; M253-L260 HydrophobicContact CB-CD1 3.72Å; M253-L260 HydrophobicContact CE-CD1 4.44Å; R254-L260 HydrophobicContact CG-CB 4Å; R254-L260 HydrophobicContact CG-CG 4.39Å; R254-L260 PolarHBondContact NE-O 3.04Å; R254-L260 PolarHBondContact NH2-O 3.45Å; R257-L260 HydrophobicContact CB-CD2 4.18Å; R257-L260 HydrophobicContact CB-CG 4.45Å; R257-L260 HydrophobicContact CG-CD2 4.25Å; M258-L260 VanDerWaalsContact C-N 3.26Å; M258-L260 PolarHBondContact O-N 3.22Å; M258-L260 VanDerWaalsContact O-N 3.11Å
261I98.6Very high98.5Very high0 Ų028.4 Ų28.40%014%0.144CC..SBendtrans64.4117.1-166.1-60.1-173.1000111.9Y20 I219 L227 L250 R254 G259 Q266 L267 S270Y20-I261 HydrophobicContact CD2-CG2 4.48Å; Y20-I261 HydrophobicContact CE2-CG2 3.98Å; Y20-I261 WeakPolarHBondContact CE2-O 3.49Å; Y20-I261 PolarHBondContact OH-O 3.25Å; I219-I261 PolarHBondContact O-N 3.33Å; L227-I261 HydrophobicContact CB-CD1 4.47Å; L227-I261 HydrophobicContact CD2-CD1 3.38Å; L250-I261 HydrophobicContact CD1-CB 4.5Å; L250-I261 HydrophobicContact CD1-CD1 4.1Å; L250-I261 HydrophobicContact CD1-CG1 4.17Å; L250-I261 HydrophobicContact CD2-CB 4.4Å; L250-I261 HydrophobicContact CD2-CD1 3.99Å; R254-I261 PolarHBondContact NH2-O 2.95Å; G259-I261 PolarHBondContact O-N 3.15Å; I261-Q266 HydrophobicContact CG2-CB 3.71Å; I261-L267 HydrophobicContact CG2-CB 4.09Å; I261-S270 WeakPolarHBondContact CD1-OG 3.21Å
262Q97.6Very high98.4Very high71 Ų7129 Ų2933%0.33215%0.147SC..  trans-105.7-13.2-168.3-75.5-74.1-73.400114.4Y20 I219 G259Y20-Q262 VanDerWaalsContact OH-CA 3.24Å; Y20-Q262 WeakPolarHBondContact OH-CA 3.32Å; Y20-Q262 PolarHBondContact OH-O 2.85Å; I219-Q262 HydrophobicContact CD1-CG 4.1Å; I219-Q262 HydrophobicContact CG1-CG 3.91Å; G259-Q262 PolarHBondContact O-NE2 2.78Å
263T97.9Very high98.4Very high30 Ų3025.7 Ų25.718%0.18413%0.131CC..SBendtrans-138156.3178.769.40000111.4F182 D265 Q266 L267F182-T263 HydrophobicContact CD1-CG2 4.37Å; T263-D265 PolarHBondContact O-N 3Å; T263-Q266 PolarHBondContact O-N 2.73Å; T263-Q266 WeakPolarHBondContact OG1-CG 3.43Å; T263-Q266 PolarHBondContact OG1-N 2.7Å; T263-Q266 VanDerWaalsContact OG1-N 3.1Å; T263-L267 PolarHBondContact O-N 3.27Å
264A98Very high98.3Very high19 Ų1925.7 Ų25.716%0.15713%0.131CC..Hα-helixtrans-59.9-35.9172.400000111.7W16 Y20 Q266 L267 R268W16-A264 HydrophobicContact CB-CB 4.18Å; Y20-A264 HydrophobicContact CD1-CB 4.42Å; Y20-A264 HydrophobicContact CG-CB 4.27Å; A264-Q266 VanDerWaalsContact C-N 3.35Å; A264-Q266 PolarHBondContact O-N 2.98Å; A264-L267 WeakPolarHBondContact O-CB 3.34Å; A264-L267 PolarHBondContact O-N 2.78Å; A264-R268 PolarHBondContact O-N 2.77Å
265D97.8Very high98.2Very high102 Ų10226.2 Ų26.255%0.54514%0.135SC..Hα-helixtrans-65.9-35.8176.4-68.9-14000112.4V184 T263 L267 R268 F269V184-D265 HydrophobicContact CG1-CB 4.24Å; V184-D265 WeakPolarHBondContact CG1-O 3.4Å; T263-D265 PolarHBondContact O-N 3Å; D265-L267 VanDerWaalsContact C-N 3.34Å; D265-R268 PolarHBondContact O-N 2.78Å; D265-F269 VanDerWaalsContact O-CB 3.28Å; D265-F269 WeakPolarHBondContact O-CB 3.27Å; D265-F269 PolarHBondContact O-N 3.4Å
266Q98.3Very high98Very high4 Ų424.9 Ų24.92%0.01913%0.13CC..Hα-helixtrans-66.9-35.9173-76.4172.8-1.800112G183 V184 I261 T263 A264 S270G183-Q266 PolarHBondContact O-NE2 2.74Å; V184-Q266 HydrophobicContact CG1-CG 4.09Å; I261-Q266 HydrophobicContact CG2-CB 3.71Å; T263-Q266 PolarHBondContact O-N 2.73Å; T263-Q266 WeakPolarHBondContact OG1-CG 3.43Å; T263-Q266 PolarHBondContact OG1-N 2.7Å; T263-Q266 VanDerWaalsContact OG1-N 3.1Å; A264-Q266 VanDerWaalsContact C-N 3.35Å; A264-Q266 PolarHBondContact O-N 2.98Å; Q266-S270 PolarHBondContact O-N 2.71Å; Q266-S270 PolarHBondContact O-OG 3.34Å
267L98.6Very high97.9Very high0 Ų023.1 Ų23.10%012%0.122CC..Hα-helixtrans-64.7-50.6172.518063.4000110.5W16 I19 Y20 I23 L250 I261 T263 A264 D265 F269 S270 Y271W16-L267 HydrophobicContact CZ3-CG 4.33Å; I19-L267 HydrophobicContact CG2-CD2 4.16Å; Y20-L267 HydrophobicContact CD2-CB 4.39Å; Y20-L267 HydrophobicContact CD2-CD2 4.31Å; I23-L267 HydrophobicContact CD1-CD1 4.23Å; I23-L267 HydrophobicContact CD1-CD2 3.66Å; L250-L267 HydrophobicContact CD2-CD1 3.96Å; I261-L267 HydrophobicContact CG2-CB 4.09Å; T263-L267 PolarHBondContact O-N 3.27Å; A264-L267 WeakPolarHBondContact O-CB 3.34Å; A264-L267 PolarHBondContact O-N 2.78Å; D265-L267 VanDerWaalsContact C-N 3.34Å; L267-F269 VanDerWaalsContact C-N 3.3Å; L267-F269 PolarHBondContact O-N 2.96Å; L267-S270 VanDerWaalsContact O-CB 3.32Å; L267-S270 WeakPolarHBondContact O-CB 3.48Å; L267-S270 PolarHBondContact O-N 2.91Å; L267-Y271 HydrophobicContact CD1-CD2 4.4Å; L267-Y271 HydrophobicContact CD1-CE2 4.14Å; L267-Y271 HydrophobicContact CG-CD2 4.49Å; L267-Y271 HydrophobicContact CG-CE2 4.37Å; L267-Y271 WeakPolarHBondContact O-CD2 3.35Å; L267-Y271 PolarHBondContact O-N 3.26Å; L267-Y271 VanDerWaalsContact O-N 3.12Å
268R98.3Very high97.6Very high72 Ų7223.1 Ų23.127%0.27212%0.122SC..Hα-helixtrans-54.6-45.2175.3-178.1179.2-176.1-77.4-4.5111.9F7 D11 W16 A264 D265 S270 Y271 L272F7-R268 HydrophobicContact CE2-CG 3.83Å; F7-R268 HydrophobicContact CZ-CG 4.34Å; D11-R268 IonicContact OD1-CZ 3.5Å; D11-R268 IonicContact OD1-NE 3.1Å; D11-R268 PolarHBondContact OD1-NE 2.77Å; D11-R268 IonicContact OD1-NH2 3.35Å; D11-R268 PolarHBondContact OD1-NH2 3.21Å; D11-R268 IonicContact OD2-CZ 3.68Å; D11-R268 IonicContact OD2-NE 3.44Å; D11-R268 IonicContact OD2-NH2 2.77Å; D11-R268 PolarHBondContact OD2-NH2 3.44Å; W16-R268 HydrophobicContact CD2-CB 3.71Å; W16-R268 HydrophobicContact CD2-CG 3.96Å; W16-R268 HydrophobicContact CE3-CB 3.87Å; W16-R268 HydrophobicContact CE3-CG 4.47Å; W16-R268 HydrophobicContact CG-CB 4.28Å; W16-R268 HydrophobicContact CG-CG 4.49Å; W16-R268 HydrophobicContact CH2-CB 4.26Å; W16-R268 HydrophobicContact CH2-CG 4.25Å; W16-R268 HydrophobicContact CZ2-CB 4.11Å; W16-R268 HydrophobicContact CZ2-CG 3.69Å; W16-R268 HydrophobicContact CZ3-CB 4.14Å; A264-R268 PolarHBondContact O-N 2.77Å; D265-R268 PolarHBondContact O-N 2.78Å; R268-S270 VanDerWaalsContact C-N 3.32Å; R268-S270 PolarHBondContact O-N 3.39Å; R268-Y271 WeakPolarHBondContact O-CB 3.26Å; R268-Y271 PolarHBondContact O-N 3.48Å; R268-L272 PolarHBondContact O-N 3.17Å; R268-L272 VanDerWaalsContact O-N 3.11Å
269F98.4Very high97.3Very high8 Ų824.9 Ų24.94%0.03513%0.128CC..Hα-helixtrans-64.8-36.3176.9-178.5-90.1000112.3V184 P185 P188 F191 T224 D265 L267 Y271 L272 A273V184-F269 HydrophobicContact CB-CB 3.99Å; V184-F269 HydrophobicContact CB-CD2 3.86Å; V184-F269 HydrophobicContact CB-CG 3.9Å; V184-F269 HydrophobicContact CG1-CB 3.63Å; V184-F269 HydrophobicContact CG1-CD2 4.47Å; V184-F269 HydrophobicContact CG1-CG 4.08Å; V184-F269 HydrophobicContact CG2-CD2 4.27Å; P185-F269 HydrophobicContact CB-CE1 4.41Å; P185-F269 HydrophobicContact CB-CE2 3.98Å; P185-F269 HydrophobicContact CB-CZ 3.66Å; P185-F269 VanDerWaalsContact CD-CZ 3.47Å; P185-F269 HydrophobicContact CG-CE1 3.72Å; P185-F269 HydrophobicContact CG-CE2 4.11Å; P185-F269 HydrophobicContact CG-CZ 3.47Å; P185-F269 VanDerWaalsContact CG-CZ 3.47Å; P188-F269 HydrophobicContact CG-CE2 4.24Å; F191-F269 HydrophobicContact CB-CE1 4.08Å; F191-F269 HydrophobicContact CB-CZ 3.74Å; F191-F269 HydrophobicContact CD1-CE1 4.05Å; F191-F269 HydrophobicContact CD1-CZ 4.38Å; F191-F269 HydrophobicContact CD2-CE1 4.14Å; F191-F269 AromaticContact CG-CE1 3.81Å; F191-F269 HydrophobicContact CG-CE1 3.81Å; F191-F269 HydrophobicContact CG-CZ 4Å; T224-F269 HydrophobicContact CG2-CD1 3.87Å; T224-F269 HydrophobicContact CG2-CE1 4.33Å; D265-F269 VanDerWaalsContact O-CB 3.28Å; D265-F269 WeakPolarHBondContact O-CB 3.27Å; D265-F269 PolarHBondContact O-N 3.4Å; L267-F269 VanDerWaalsContact C-N 3.3Å; L267-F269 PolarHBondContact O-N 2.96Å; F269-Y271 VanDerWaalsContact C-N 3.3Å; F269-Y271 PolarHBondContact O-N 2.94Å; F269-L272 PolarHBondContact O-N 3.19Å; F269-A273 HydrophobicContact CE1-CB 4.25Å; F269-A273 WeakPolarHBondContact O-CB 3.27Å; F269-A273 PolarHBondContact O-N 3.32Å
270S98.6Very high97Very high0 Ų026 Ų260%013%0.127CC..Hα-helixtrans-61.1-41.2175.2-540000111.1I261 Q266 L267 R268 A273 V274I261-S270 WeakPolarHBondContact CD1-OG 3.21Å; Q266-S270 PolarHBondContact O-N 2.71Å; Q266-S270 PolarHBondContact O-OG 3.34Å; L267-S270 VanDerWaalsContact O-CB 3.32Å; L267-S270 WeakPolarHBondContact O-CB 3.48Å; L267-S270 PolarHBondContact O-N 2.91Å; R268-S270 VanDerWaalsContact C-N 3.32Å; R268-S270 PolarHBondContact O-N 3.39Å; S270-A273 PolarHBondContact O-N 3.24Å; S270-V274 VanDerWaalsContact O-CG2 3.26Å; S270-V274 WeakPolarHBondContact O-CG2 3.44Å; S270-V274 PolarHBondContact O-N 3Å
271Y98.2Very high96.6Very high0 Ų027.4 Ų27.40%013%0.134CC..Hα-helixtrans-59.6-50.2172-87.8-103.6000111.9E6 F7 W16 I246 K247 L267 R268 F269 A273 V274 I275E6-Y271 VanDerWaalsContact CD-OH 3.28Å; E6-Y271 HydrophobicContact CG-CE1 4.49Å; E6-Y271 PolarHBondContact OE1-OH 3.49Å; E6-Y271 WeakPolarHBondContact OE2-CE1 3.3Å; E6-Y271 PolarHBondContact OE2-OH 2.94Å; F7-Y271 HydrophobicContact CB-CD1 4.25Å; F7-Y271 HydrophobicContact CD2-CD1 4.36Å; F7-Y271 HydrophobicContact CD2-CG 4.24Å; W16-Y271 HydrophobicContact CH2-CD1 4.46Å; W16-Y271 AromaticContact CH2-CD2 3.98Å; W16-Y271 HydrophobicContact CH2-CD2 3.98Å; W16-Y271 HydrophobicContact CH2-CE2 4.44Å; W16-Y271 AromaticContact CH2-CG 3.99Å; W16-Y271 HydrophobicContact CH2-CG 3.99Å; W16-Y271 AromaticContact CZ3-CD2 3.92Å; W16-Y271 HydrophobicContact CZ3-CD2 3.92Å; W16-Y271 HydrophobicContact CZ3-CE2 4.16Å; W16-Y271 HydrophobicContact CZ3-CG 4.4Å; I246-Y271 HydrophobicContact CB-CE1 4.43Å; I246-Y271 HydrophobicContact CB-CE2 3.94Å; I246-Y271 HydrophobicContact CD1-CD1 3.82Å; I246-Y271 HydrophobicContact CD1-CD2 3.99Å; I246-Y271 HydrophobicContact CD1-CE1 4.05Å; I246-Y271 HydrophobicContact CD1-CE2 4.21Å; I246-Y271 HydrophobicContact CD1-CG 3.79Å; I246-Y271 HydrophobicContact CG2-CD2 4.08Å; I246-Y271 HydrophobicContact CG2-CE2 3.72Å; K247-Y271 WeakPolarHBondContact CG-OH 3.47Å; L267-Y271 HydrophobicContact CD1-CD2 4.4Å; L267-Y271 HydrophobicContact CD1-CE2 4.14Å; L267-Y271 HydrophobicContact CG-CD2 4.49Å; L267-Y271 HydrophobicContact CG-CE2 4.37Å; L267-Y271 WeakPolarHBondContact O-CD2 3.35Å; L267-Y271 PolarHBondContact O-N 3.26Å; L267-Y271 VanDerWaalsContact O-N 3.12Å; R268-Y271 WeakPolarHBondContact O-CB 3.26Å; R268-Y271 PolarHBondContact O-N 3.48Å; F269-Y271 VanDerWaalsContact C-N 3.3Å; F269-Y271 PolarHBondContact O-N 2.94Å; Y271-A273 VanDerWaalsContact C-N 3.32Å; Y271-A273 PolarHBondContact O-N 2.88Å; Y271-V274 PolarHBondContact O-N 3.32Å; Y271-I275 WeakPolarHBondContact O-CB 3.47Å; Y271-I275 VanDerWaalsContact O-CG1 3.23Å; Y271-I275 WeakPolarHBondContact O-CG1 3.49Å; Y271-I275 PolarHBondContact O-N 3.26Å
272L97.5Very high96.1Very high48 Ų4832.3 Ų32.325%0.25116%0.158SC..Hα-helixtrans-56.9-45.4178.5-73.5174.3000112.3F7 P188 R268 F269 E276F7-L272 HydrophobicContact CE1-CD2 3.97Å; F7-L272 HydrophobicContact CE2-CD2 3.78Å; F7-L272 HydrophobicContact CE2-CG 3.75Å; F7-L272 HydrophobicContact CZ-CD1 4.38Å; F7-L272 HydrophobicContact CZ-CD2 3.39Å; F7-L272 HydrophobicContact CZ-CG 3.77Å; P188-L272 HydrophobicContact CG-CB 3.92Å; R268-L272 PolarHBondContact O-N 3.17Å; R268-L272 VanDerWaalsContact O-N 3.11Å; F269-L272 PolarHBondContact O-N 3.19Å; L272-E276 VanDerWaalsContact O-CB 3.27Å; L272-E276 WeakPolarHBondContact O-CB 3.13Å; L272-E276 PolarHBondContact O-N 3.48Å
273A97.9Very high95.6Very high0 Ų031.7 Ų31.70%017%0.17CC..Hα-helixtrans-64.1-41.9178.900000112.3F191 A228 F269 S270 Y271 G277F191-A273 HydrophobicContact CD1-CB 3.8Å; F191-A273 HydrophobicContact CE1-CB 3.81Å; A228-A273 HydrophobicContact CB-CB 4.4Å; F269-A273 HydrophobicContact CE1-CB 4.25Å; F269-A273 WeakPolarHBondContact O-CB 3.27Å; F269-A273 PolarHBondContact O-N 3.32Å; S270-A273 PolarHBondContact O-N 3.24Å; Y271-A273 VanDerWaalsContact C-N 3.32Å; Y271-A273 PolarHBondContact O-N 2.88Å; A273-G277 PolarHBondContact O-N 3.03Å
274V97.8Very high95.2Very high0 Ų033.6 Ų33.60%018%0.179CC..Hα-helixtrans-71.1-41.5178.7178.90000111.3M3 A228 C231 L232 M235 I246 S270 Y271 G277 A278M3-V274 HydrophobicContact CE-CB 3.87Å; M3-V274 HydrophobicContact CE-CG1 3.52Å; M3-V274 HydrophobicContact SD-CG1 4.14Å; A228-V274 HydrophobicContact CB-CG2 4.11Å; C231-V274 HydrophobicContact CB-CB 4.45Å; C231-V274 HydrophobicContact CB-CG1 3.78Å; C231-V274 HydrophobicContact CB-CG2 3.7Å; L232-V274 HydrophobicContact CD2-CG1 4.27Å; M235-V274 HydrophobicContact SD-CG1 3.6Å; I246-V274 HydrophobicContact CD1-CB 3.97Å; I246-V274 HydrophobicContact CD1-CG1 4.22Å; I246-V274 HydrophobicContact CD1-CG2 4.11Å; S270-V274 VanDerWaalsContact O-CG2 3.26Å; S270-V274 WeakPolarHBondContact O-CG2 3.44Å; S270-V274 PolarHBondContact O-N 3Å; Y271-V274 PolarHBondContact O-N 3.32Å; V274-G277 PolarHBondContact O-N 2.93Å; V274-A278 WeakPolarHBondContact O-CB 3.37Å; V274-A278 PolarHBondContact O-N 3.17Å
275I95.9Very high94.6Very high19 Ų1936.4 Ų36.410%0.09720%0.198CC..Hα-helixtrans-60-48.1176-71.8166000110.5M1 M3 E4 F7 Y271 A278M1-I275 HydrophobicContact CE-CG2 4.19Å; M3-I275 HydrophobicContact CE-CG1 3.77Å; M3-I275 HydrophobicContact CG-CG1 3.91Å; M3-I275 HydrophobicContact SD-CG1 3.94Å; E4-I275 HydrophobicContact CG-CB 4.43Å; E4-I275 HydrophobicContact CG-CD1 4Å; E4-I275 HydrophobicContact CG-CG1 3.93Å; E4-I275 HydrophobicContact CG-CG2 3.64Å; F7-I275 HydrophobicContact CB-CD1 3.83Å; F7-I275 HydrophobicContact CD2-CD1 4.3Å; F7-I275 HydrophobicContact CG-CD1 4Å; Y271-I275 WeakPolarHBondContact O-CB 3.47Å; Y271-I275 VanDerWaalsContact O-CG1 3.23Å; Y271-I275 WeakPolarHBondContact O-CG1 3.49Å; Y271-I275 PolarHBondContact O-N 3.26Å; I275-A278 VanDerWaalsContact O-CB 3.3Å; I275-A278 WeakPolarHBondContact O-CB 3.24Å; I275-A278 PolarHBondContact O-N 3.34Å
276E95.5Very high94.2Very high46 Ų4634.3 Ų34.322%0.21519%0.191CC..Hα-helixtrans-66.6-46.9179.4-173.860-150.400110.8P188 L192 L272 A278 K279 W291P188-E276 HydrophobicContact CB-CB 4.3Å; P188-E276 HydrophobicContact CB-CG 4.46Å; L192-E276 HydrophobicContact CD1-CB 3.79Å; L192-E276 HydrophobicContact CD1-CG 3.74Å; L272-E276 VanDerWaalsContact O-CB 3.27Å; L272-E276 WeakPolarHBondContact O-CB 3.13Å; L272-E276 PolarHBondContact O-N 3.48Å; E276-A278 PolarHBondContact O-N 2.86Å; E276-K279 VanDerWaalsContact CD-NZ 3.26Å; E276-K279 WeakPolarHBondContact O-CB 3.49Å; E276-K279 WeakPolarHBondContact O-CG 3.27Å; E276-K279 PolarHBondContact O-N 3.19Å; E276-K279 VanDerWaalsContact O-N 3.15Å; E276-K279 IonicContact OE1-NZ 3.1Å; E276-K279 PolarHBondContact OE1-NZ 3.23Å; E276-K279 VanDerWaalsContact OE1-NZ 3.1Å; E276-K279 WeakPolarHBondContact OE2-CE 3.27Å; E276-K279 IonicContact OE2-NZ 2.69Å; E276-K279 PolarHBondContact OE2-NZ 3.1Å; E276-W291 HydrophobicContact CG-CZ2 4.07Å; E276-W291 WeakPolarHBondContact O-CZ2 3.23Å; E276-W291 PolarHBondContact OE1-NE1 2.74Å
277G95.6Very high93.8Very high0 Ų034.2 Ų34.20%019%0.191CC..Hα-helixtrans-62-27.2178.300000113.8L232 A273 V274 K279 F280 I281L232-G277 VanDerWaalsContact CD2-C 3.41Å; A273-G277 PolarHBondContact O-N 3.03Å; V274-G277 PolarHBondContact O-N 2.93Å; G277-K279 PolarHBondContact O-N 3.37Å; G277-F280 PolarHBondContact O-N 2.9Å; G277-I281 PolarHBondContact O-N 2.84Å
278A93.8Very high93.2Very high0 Ų036 Ų360%020%0.2CC..Hα-helixtrans-58.5-32.9176.400000112.5M1 M235 V274 I275 E276 F280 I281 M282M1-A278 HydrophobicContact CE-CB 3.74Å; M1-A278 HydrophobicContact SD-CB 3.64Å; M235-A278 HydrophobicContact CE-CB 3.21Å; M235-A278 HydrophobicContact SD-CB 4.46Å; V274-A278 WeakPolarHBondContact O-CB 3.37Å; V274-A278 PolarHBondContact O-N 3.17Å; I275-A278 VanDerWaalsContact O-CB 3.3Å; I275-A278 WeakPolarHBondContact O-CB 3.24Å; I275-A278 PolarHBondContact O-N 3.34Å; E276-A278 PolarHBondContact O-N 2.86Å; A278-F280 VanDerWaalsContact C-N 3.28Å; A278-F280 PolarHBondContact O-N 2.93Å; A278-I281 PolarHBondContact O-N 3.24Å; A278-I281 VanDerWaalsContact O-N 3.16Å; A278-M282 HydrophobicContact CB-CE 4.2Å; A278-M282 WeakPolarHBondContact O-CB 3.42Å; A278-M282 VanDerWaalsContact O-CG 3.27Å; A278-M282 WeakPolarHBondContact O-CG 3.31Å; A278-M282 PolarHBondContact O-N 3.38Å
279K92.6Very high92.7Very high80 Ų8037.8 Ų37.835%0.34822%0.215SC..Hα-helixtrans-56.8-44.6178.9-63.5174.1-179.1168.50111.2E276 G277 M282 D284 V287E276-K279 VanDerWaalsContact CD-NZ 3.26Å; E276-K279 WeakPolarHBondContact O-CB 3.49Å; E276-K279 WeakPolarHBondContact O-CG 3.27Å; E276-K279 PolarHBondContact O-N 3.19Å; E276-K279 VanDerWaalsContact O-N 3.15Å; E276-K279 IonicContact OE1-NZ 3.1Å; E276-K279 PolarHBondContact OE1-NZ 3.23Å; E276-K279 VanDerWaalsContact OE1-NZ 3.1Å; E276-K279 WeakPolarHBondContact OE2-CE 3.27Å; E276-K279 IonicContact OE2-NZ 2.69Å; E276-K279 PolarHBondContact OE2-NZ 3.1Å; G277-K279 PolarHBondContact O-N 3.37Å; K279-M282 PolarHBondContact O-N 3.46Å; K279-D284 WeakPolarHBondContact O-CB 3.28Å; K279-D284 PolarHBondContact O-N 3.01Å; K279-V287 HydrophobicContact CB-CG1 4.43Å; K279-V287 HydrophobicContact CD-CG2 4.43Å
280F92.2Very high92.3Very high47 Ų4741.6 Ų41.621%0.20623%0.232CC..Hα-helixtrans-63.5-47.5175.3-178-94.2000111.8F196 G277 A278 M282 G283 V287 Q288 W291F196-F280 HydrophobicContact CD1-CE1 4.25Å; F196-F280 AromaticContact CE1-CD1 3.41Å; F196-F280 HydrophobicContact CE1-CD1 3.41Å; F196-F280 VanDerWaalsContact CE1-CD1 3.41Å; F196-F280 AromaticContact CE1-CE1 3.33Å; F196-F280 HydrophobicContact CE1-CE1 3.33Å; F196-F280 HydrophobicContact CE1-CG 4.16Å; F196-F280 AromaticContact CE1-CZ 3.99Å; F196-F280 HydrophobicContact CE1-CZ 3.99Å; F196-F280 HydrophobicContact CZ-CB 4.44Å; F196-F280 AromaticContact CZ-CD1 3.46Å; F196-F280 HydrophobicContact CZ-CD1 3.46Å; F196-F280 VanDerWaalsContact CZ-CD1 3.46Å; F196-F280 AromaticContact CZ-CE1 3.91Å; F196-F280 HydrophobicContact CZ-CE1 3.91Å; F196-F280 HydrophobicContact CZ-CG 4.04Å; G277-F280 PolarHBondContact O-N 2.9Å; A278-F280 VanDerWaalsContact C-N 3.28Å; A278-F280 PolarHBondContact O-N 2.93Å; F280-M282 PolarHBondContact O-N 2.86Å; F280-G283 PolarHBondContact O-N 2.84Å; F280-V287 HydrophobicContact CB-CG1 3.6Å; F280-V287 HydrophobicContact CD2-CG1 4.12Å; F280-V287 HydrophobicContact CG-CG1 4.37Å; F280-Q288 HydrophobicContact CD2-CB 3.92Å; F280-Q288 HydrophobicContact CE2-CB 3.84Å; F280-Q288 HydrophobicContact CE2-CG 4.44Å; F280-Q288 VanDerWaalsContact CE2-OE1 3.23Å; F280-W291 HydrophobicContact CB-CH2 3.59Å; F280-W291 HydrophobicContact CB-CZ3 4.1Å; F280-W291 HydrophobicContact CG-CH2 4.43Å; F280-W291 HydrophobicContact CG-CZ3 4.47Å
281I90.2Very high91.9Very high29 Ų2941.7 Ų41.715%0.14923%0.233CC..Hα-helixtrans-62.3-31.6-179.8-58.7-59.1000112L232 M235 D236 G277 A278 G283L232-I281 HydrophobicContact CB-CG1 4.45Å; L232-I281 HydrophobicContact CD2-CG1 4.13Å; M235-I281 HydrophobicContact CB-CG2 4.37Å; D236-I281 HydrophobicContact CB-CD1 4.26Å; D236-I281 HydrophobicContact CB-CG2 3.62Å; G277-I281 PolarHBondContact O-N 2.84Å; A278-I281 PolarHBondContact O-N 3.24Å; A278-I281 VanDerWaalsContact O-N 3.16Å; I281-G283 PolarHBondContact O-N 3.3Å
282M87Confident91.4Very high104 Ų10445.7 Ų45.751%0.51225%0.25SS..THydrogen-bonded Turntrans-78.13.2176.4-68.8-175-63.200113.9M1 P241 A278 K279 F280M1-M282 HydrophobicContact CE-CE 4.41Å; M1-M282 HydrophobicContact SD-CE 4.12Å; M1-M282 HydrophobicContact SD-SD 4.25Å; P241-M282 HydrophobicContact CG-CG 3.86Å; P241-M282 HydrophobicContact CG-SD 3.76Å; A278-M282 HydrophobicContact CB-CE 4.2Å; A278-M282 WeakPolarHBondContact O-CB 3.42Å; A278-M282 VanDerWaalsContact O-CG 3.27Å; A278-M282 WeakPolarHBondContact O-CG 3.31Å; A278-M282 PolarHBondContact O-N 3.38Å; K279-M282 PolarHBondContact O-N 3.46Å; F280-M282 PolarHBondContact O-N 2.86Å
283G86.9Confident91Very high57 Ų5750.4 Ų50.459%0.58827%0.271SS*.THydrogen-bonded Turntrans102.84.717200000115.4F280 I281 S285F280-G283 PolarHBondContact O-N 2.84Å; I281-G283 PolarHBondContact O-N 3.3Å; G283-S285 VanDerWaalsContact C-N 3.33Å; G283-S285 PolarHBondContact O-N 3.39Å; G283-S285 VanDerWaalsContact O-N 3.12Å
284D89.7Confident90.5Very high70 Ų7055.2 Ų55.237%0.37430%0.296SS..  trans-82.980.2169.7-173-0.1000110.2K279 S286 V287K279-D284 WeakPolarHBondContact O-CB 3.28Å; K279-D284 PolarHBondContact O-N 3.01Å; D284-S286 PolarHBondContact O-N 2.98Å; D284-S286 WeakPolarHBondContact OD1-CB 3.28Å; D284-S286 PolarHBondContact OD1-N 2.82Å; D284-S286 PolarHBondContact OD1-OG 3.1Å; D284-V287 VanDerWaalsContact O-CG1 3.25Å; D284-V287 WeakPolarHBondContact O-CG1 3.39Å; D284-V287 PolarHBondContact O-N 3.3Å
285S86.5Confident90Very high79 Ų7955.7 Ų55.755%0.55230%0.299SS*.THydrogen-bonded Turntrans-62.8-22.4179-53.50000113.1G283 V287 Q288G283-S285 VanDerWaalsContact C-N 3.33Å; G283-S285 PolarHBondContact O-N 3.39Å; G283-S285 VanDerWaalsContact O-N 3.12Å; S285-V287 PolarHBondContact O-N 3.22Å; S285-Q288 PolarHBondContact O-N 2.94Å
286S89.4Confident89.6Confident57 Ų5760.2 Ų60.240%0.39932%0.32SS..Hα-helixtrans-67.6-22.1-17778.70000113.1D284 Q288 D289 Q290D284-S286 PolarHBondContact O-N 2.98Å; D284-S286 WeakPolarHBondContact OD1-CB 3.28Å; D284-S286 PolarHBondContact OD1-N 2.82Å; D284-S286 PolarHBondContact OD1-OG 3.1Å; S286-Q288 PolarHBondContact O-N 3.32Å; S286-D289 PolarHBondContact O-N 3.46Å; S286-Q290 WeakPolarHBondContact O-CG 3.38Å; S286-Q290 PolarHBondContact O-N 3.22Å; S286-Q290 PolarHBondContact OG-NE2 3.26Å
287V89Confident89.1Confident3 Ų358.3 Ų58.32%0.01831%0.311CS..Hα-helixtrans-66.5-25.1-18081.60000112.1K279 F280 D284 S285 Q290 W291K279-V287 HydrophobicContact CB-CG1 4.43Å; K279-V287 HydrophobicContact CD-CG2 4.43Å; F280-V287 HydrophobicContact CB-CG1 3.6Å; F280-V287 HydrophobicContact CD2-CG1 4.12Å; F280-V287 HydrophobicContact CG-CG1 4.37Å; D284-V287 VanDerWaalsContact O-CG1 3.25Å; D284-V287 WeakPolarHBondContact O-CG1 3.39Å; D284-V287 PolarHBondContact O-N 3.3Å; S285-V287 PolarHBondContact O-N 3.22Å; V287-Q290 PolarHBondContact O-N 2.77Å; V287-W291 HydrophobicContact CB-CZ2 4.25Å; V287-W291 HydrophobicContact CG1-CD2 4.5Å; V287-W291 HydrophobicContact CG1-CH2 3.61Å; V287-W291 HydrophobicContact CG1-CZ2 3.51Å; V287-W291 HydrophobicContact CG1-CZ3 4.16Å; V287-W291 HydrophobicContact CG2-CD2 4.43Å; V287-W291 HydrophobicContact CG2-CZ2 3.72Å; V287-W291 VanDerWaalsContact O-CG 3.22Å; V287-W291 PolarHBondContact O-N 3.35Å
288Q87Confident88.7Confident38 Ų3864.2 Ų64.218%0.17834%0.343CS..Hα-helixtrans-66.9-43.8178.2-172175.57.300111.5E200 F280 S285 S286 Q290 W291 K292E200-Q288 PolarHBondContact OE1-NE2 2.82Å; F280-Q288 HydrophobicContact CD2-CB 3.92Å; F280-Q288 HydrophobicContact CE2-CB 3.84Å; F280-Q288 HydrophobicContact CE2-CG 4.44Å; F280-Q288 VanDerWaalsContact CE2-OE1 3.23Å; S285-Q288 PolarHBondContact O-N 2.94Å; S286-Q288 PolarHBondContact O-N 3.32Å; Q288-Q290 VanDerWaalsContact C-N 3.32Å; Q288-W291 PolarHBondContact O-N 2.86Å; Q288-K292 PolarHBondContact O-N 3.34Å; Q288-K292 VanDerWaalsContact O-N 3.09Å
289D87.3Confident88.2Confident109 Ų10969.4 Ų69.458%0.58337%0.37SS*.Hα-helixtrans-64.5-40.2174.8-65.9-37.9000110.8S286 W291 K292 E293S286-D289 PolarHBondContact O-N 3.46Å; D289-W291 VanDerWaalsContact C-N 3.35Å; D289-W291 PolarHBondContact O-N 2.96Å; D289-K292 WeakPolarHBondContact O-CB 3.11Å; D289-K292 PolarHBondContact O-N 2.78Å; D289-E293 WeakPolarHBondContact O-CG 3.47Å; D289-E293 PolarHBondContact O-N 2.77Å
290Q89.6Confident87.6Confident88 Ų8874.2 Ų74.241%0.41139%0.394SS..Hα-helixtrans-61.2-41.2174.7-65.9171.643.100112.2S286 V287 Q288 K292 E293 L294S286-Q290 WeakPolarHBondContact O-CG 3.38Å; S286-Q290 PolarHBondContact O-N 3.22Å; S286-Q290 PolarHBondContact OG-NE2 3.26Å; V287-Q290 PolarHBondContact O-N 2.77Å; Q288-Q290 VanDerWaalsContact C-N 3.32Å; Q290-K292 VanDerWaalsContact C-N 3.33Å; Q290-K292 PolarHBondContact O-N 3.37Å; Q290-E293 PolarHBondContact O-N 3.12Å; Q290-L294 VanDerWaalsContact O-CB 3.28Å; Q290-L294 WeakPolarHBondContact O-CB 3.15Å; Q290-L294 WeakPolarHBondContact O-CG 3.42Å; Q290-L294 PolarHBondContact O-N 2.78Å
291W90.9Very high86.8Confident2 Ų275.2 Ų75.21%0.00840%0.404CS..Hα-helixtrans-65.2-38.3176.1-63.8-25.8000112A189 L192 N193 F196 E276 F280 V287 Q288 D289 S295A189-W291 HydrophobicContact CB-CB 4.19Å; A189-W291 HydrophobicContact CB-CG 4.2Å; L192-W291 HydrophobicContact CB-CD2 4.05Å; L192-W291 HydrophobicContact CB-CE3 3.88Å; L192-W291 HydrophobicContact CB-CH2 4.5Å; L192-W291 HydrophobicContact CB-CZ3 4.12Å; L192-W291 HydrophobicContact CD1-CD2 4.31Å; L192-W291 HydrophobicContact CD1-CH2 4.05Å; L192-W291 HydrophobicContact CD1-CZ2 3.7Å; L192-W291 HydrophobicContact CD1-CZ3 4.5Å; N193-W291 HydrophobicContact CB-CB 4.3Å; F196-W291 HydrophobicContact CD2-CE3 4.48Å; F196-W291 AromaticContact CD2-CZ3 3.89Å; F196-W291 HydrophobicContact CD2-CZ3 3.89Å; F196-W291 HydrophobicContact CE2-CH2 4.22Å; F196-W291 AromaticContact CE2-CZ3 3.65Å; F196-W291 HydrophobicContact CE2-CZ3 3.65Å; F196-W291 HydrophobicContact CZ-CZ3 4.25Å; E276-W291 HydrophobicContact CG-CZ2 4.07Å; E276-W291 WeakPolarHBondContact O-CZ2 3.23Å; E276-W291 PolarHBondContact OE1-NE1 2.74Å; F280-W291 HydrophobicContact CB-CH2 3.59Å; F280-W291 HydrophobicContact CB-CZ3 4.1Å; F280-W291 HydrophobicContact CG-CH2 4.43Å; F280-W291 HydrophobicContact CG-CZ3 4.47Å; V287-W291 HydrophobicContact CB-CZ2 4.25Å; V287-W291 HydrophobicContact CG1-CD2 4.5Å; V287-W291 HydrophobicContact CG1-CH2 3.61Å; V287-W291 HydrophobicContact CG1-CZ2 3.51Å; V287-W291 HydrophobicContact CG1-CZ3 4.16Å; V287-W291 HydrophobicContact CG2-CD2 4.43Å; V287-W291 HydrophobicContact CG2-CZ2 3.72Å; V287-W291 VanDerWaalsContact O-CG 3.22Å; V287-W291 PolarHBondContact O-N 3.35Å; Q288-W291 PolarHBondContact O-N 2.86Å; D289-W291 VanDerWaalsContact C-N 3.35Å; D289-W291 PolarHBondContact O-N 2.96Å; W291-S295 WeakPolarHBondContact O-CB 2.86Å; W291-S295 PolarHBondContact O-N 2.73Å; W291-S295 PolarHBondContact O-OG 3.47Å
292K87.9Confident85.7Confident84 Ų8477.2 Ų77.237%0.36542%0.42SS..Hα-helixtrans-58.6-51174.1-167.9-167.8-179.3-1610110.4Q288 D289 Q290 S295 H296 E297Q288-K292 PolarHBondContact O-N 3.34Å; Q288-K292 VanDerWaalsContact O-N 3.09Å; D289-K292 WeakPolarHBondContact O-CB 3.11Å; D289-K292 PolarHBondContact O-N 2.78Å; Q290-K292 VanDerWaalsContact C-N 3.33Å; Q290-K292 PolarHBondContact O-N 3.37Å; K292-S295 PolarHBondContact O-N 3.28Å; K292-S295 PolarHBondContact O-OG 3.39Å; K292-H296 PolarHBondContact O-N 3.28Å; K292-E297 WeakPolarHBondContact CE-OE1 3.27Å; K292-E297 HydrophobicContact CG-CG 4.13Å; K292-E297 IonicContact NZ-OE1 3.92Å
293E88.4Confident84.7Confident146 Ų14676.9 Ų76.968%0.68243%0.425SS*.Hα-helixtrans-59.7-50.1177.9-70.9-177.8177.400112.5D289 Q290 S295 H296D289-E293 WeakPolarHBondContact O-CG 3.47Å; D289-E293 PolarHBondContact O-N 2.77Å; Q290-E293 PolarHBondContact O-N 3.12Å; E293-S295 PolarHBondContact O-N 3.2Å; E293-H296 PolarHBondContact O-N 3.41Å; E293-H296 VanDerWaalsContact O-N 3.17Å; E293-H296 PolarHBondContact O-ND1 3.24Å; E293-H296 VanDerWaalsContact O-ND1 3.08Å
294L88.1Confident83.3Confident102 Ų10282.3 Ų82.353%0.53444%0.435SS..Hα-helixtrans-68.7-22-179.6-70.5171.8000113.5A189 Q290 H296A189-L294 HydrophobicContact CB-CB 4.06Å; Q290-L294 VanDerWaalsContact O-CB 3.28Å; Q290-L294 WeakPolarHBondContact O-CB 3.15Å; Q290-L294 WeakPolarHBondContact O-CG 3.42Å; Q290-L294 PolarHBondContact O-N 2.78Å; L294-H296 VanDerWaalsContact C-N 3.28Å
295S85.7Confident81.3Confident10 Ų1086.6 Ų86.67%0.0745%0.453CS..Hα-helixtrans-78.8-16.7176.277.90000112.9Y152 W291 K292 E293 E297Y152-S295 VanDerWaalsContact CE1-CB 3.46Å; Y152-S295 WeakPolarHBondContact CE1-O 3.38Å; Y152-S295 WeakPolarHBondContact CE1-OG 3.05Å; Y152-S295 WeakPolarHBondContact OH-CB 3.33Å; Y152-S295 PolarHBondContact OH-OG 3.17Å; W291-S295 WeakPolarHBondContact O-CB 2.86Å; W291-S295 PolarHBondContact O-N 2.73Å; W291-S295 PolarHBondContact O-OG 3.47Å; K292-S295 PolarHBondContact O-N 3.28Å; K292-S295 PolarHBondContact O-OG 3.39Å; E293-S295 PolarHBondContact O-N 3.2Å; S295-E297 PolarHBondContact O-N 3.23Å
296H88.3Confident79.2Confident113 Ų11387 Ų8752%0.52345%0.451SS..THydrogen-bonded Turntrans5242.5-178.2-54.1-55.6000112.6S151 K292 E293 L294 D298 L299S151-H296 WeakPolarHBondContact CB-O 3.22Å; S151-H296 PolarHBondContact OG-O 2.74Å; K292-H296 PolarHBondContact O-N 3.28Å; E293-H296 PolarHBondContact O-N 3.41Å; E293-H296 VanDerWaalsContact O-N 3.17Å; E293-H296 PolarHBondContact O-ND1 3.24Å; E293-H296 VanDerWaalsContact O-ND1 3.08Å; L294-H296 VanDerWaalsContact C-N 3.28Å; H296-D298 PolarHBondContact O-N 3.25Å; H296-L299 HydrophobicContact CB-CD1 3.53Å; H296-L299 HydrophobicContact CB-CG 3.87Å; H296-L299 PolarHBondContact O-N 2.74Å
297E85.8Confident76.8Confident7 Ų789 Ų893%0.03346%0.463CS..THydrogen-bonded Turntrans-62.3-27.7-174.269.7172.2-155.300113.8K150 S151 Y152 Y153 N193 K292 S295 L299K150-E297 HydrophobicContact CB-CB 4.27Å; K150-E297 WeakPolarHBondContact CB-O 3.28Å; K150-E297 HydrophobicContact CG-CB 4.48Å; S151-E297 PolarHBondContact N-O 3.35Å; S151-E297 WeakPolarHBondContact OG-CA 3.41Å; Y152-E297 HydrophobicContact CE1-CB 3.71Å; Y153-E297 HydrophobicContact CE1-CB 4.11Å; Y153-E297 PolarHBondContact OH-OE2 2.92Å; N193-E297 PolarHBondContact ND2-OE2 3Å; K292-E297 WeakPolarHBondContact CE-OE1 3.27Å; K292-E297 HydrophobicContact CG-CG 4.13Å; K292-E297 IonicContact NZ-OE1 3.92Å; S295-E297 PolarHBondContact O-N 3.23Å; E297-L299 VanDerWaalsContact C-N 3.31Å; E297-L299 PolarHBondContact O-N 3.45Å
298D86.1Confident74.8Confident124 Ų12493.7 Ų93.766%0.66349%0.493SS*.THydrogen-bonded Turntrans-82.6-2.3-178.4-62.4-45.5000113.7H296H296-D298 PolarHBondContact O-N 3.25Å
299L84Confident72.9Confident109 Ų10997 Ų9757%0.57152%0.518SS*.SBendtrans-69.7156.1172.5-66-178.4000111.2S151 H296 E297S151-L299 VanDerWaalsContact CB-O 3.3Å; S151-L299 WeakPolarHBondContact CB-O 3.28Å; H296-L299 HydrophobicContact CB-CD1 3.53Å; H296-L299 HydrophobicContact CB-CG 3.87Å; H296-L299 PolarHBondContact O-N 2.74Å; E297-L299 VanDerWaalsContact C-N 3.31Å; E297-L299 PolarHBondContact O-N 3.45Å
300E79.3Confident70.4Confident181 Ų18197.8 Ų97.885%0.84653%0.529SS*.PPolyproline II helixtrans-59.1138.1172.1-69.5-170.6169.200110.5
301P75.8Confident68.5Low67 Ų67103.9 Ų103.944%0.43555%0.549SS..PPolyproline II helixtrans-61.1142.1177.426.1-33.8000110.4I149I149-P301 HydrophobicContact CG2-CB 4.18Å; I149-P301 HydrophobicContact CG2-CG 3.93Å
302P67.8Low66.3Low72 Ų72109.1 Ų109.147%0.46858%0.583SS.*PPolyproline II helixtrans-55.3141.9173.8-21.430000110.2S151 E304S151-P302 WeakPolarHBondContact O-CD 3.37Å; P302-E304 PolarHBondContact O-N 3.35Å
303P64.9Low64Low96 Ų96111.1 Ų111.162%0.62360%0.604SS**PPolyproline II helixtrans-50.8138.1170.9-22.628.8000110H305 V306P303-H305 PolarHBondContact O-N 2.88Å; P303-V306 HydrophobicContact CB-CG2 4.02Å; P303-V306 HydrophobicContact CG-CG2 3.98Å; P303-V306 PolarHBondContact O-N 3.34Å
304E56.8Low61.6Low171 Ų171113 Ų11380%0.79961%0.611SS**THydrogen-bonded Turntrans-55.4-11.2-176.7-70.3-172.3147.800114P302P302-E304 PolarHBondContact O-N 3.35Å
305H47.8Very low59.2Low161 Ų161119.7 Ų119.775%0.74563%0.628SS**THydrogen-bonded Turntrans-119.219.2-171.3-67.556.9000114.7P303 P307P303-H305 PolarHBondContact O-N 2.88Å; H305-P307 WeakPolarHBondContact O-CD 3.36Å
306V42.4Very low56.7Low87 Ų87126.4 Ų126.453%0.52766%0.662SS.*PPolyproline II helixtrans-73.8116.3171.5-166.40000109.1P303P303-V306 HydrophobicContact CB-CG2 4.02Å; P303-V306 HydrophobicContact CG-CG2 3.98Å; P303-V306 PolarHBondContact O-N 3.34Å
307P40Very low54.4Low100 Ų100128.7 Ų128.765%0.64968%0.677SS**PPolyproline II helixtrans-60.6146.6173.225.3-31.9000109.3H305H305-P307 WeakPolarHBondContact O-CD 3.36Å
308P47Very low51.8Low100 Ų100135.6 Ų135.665%0.64971%0.709SS**PPolyproline II helixtrans-57.6146.1-179.324.4-33000110.4
309P46.1Very low49.3Very low108 Ų108135.4 Ų135.470%0.70172%0.715SS**PPolyproline II helixtrans-54.7145.7176.621.1-31.1000110.5R311P309-R311 PolarHBondContact O-N 2.69Å
310P36.4Very low46.9Very low125 Ų125138.7 Ų138.781%0.81273%0.727SS**PPolyproline II helixtrans-56.5135.4179.621.9-30.7000109.6
311R48Very low44.6Very low216 Ų216137.6 Ų137.682%0.81573%0.727SS**PPolyproline II helixtrans-56.7142.8179.7-58.7-177.2-156.4-160.86.9109.2P309P309-R311 PolarHBondContact O-N 2.69Å
312P45.9Very low42.4Very low113 Ų113138 Ų13873%0.73474%0.743SS**PPolyproline II helixtrans-54.3140.9166.521.7-30.1000109.2K314P312-K314 PolarHBondContact O-N 3.46Å
313P38.9Very low40.5Very low125 Ų125144 Ų14481%0.81276%0.762SS**PPolyproline II helixtrans-55.5131.8-176.518.7-28.9000109.7R315P313-R315 PolarHBondContact O-N 3.05Å
314K37.8Very low38.6Very low187 Ų187145.9 Ų145.981%0.81378%0.776SS**PPolyproline II helixtrans-53.1119.5171.9-71.8-178.3177.6-179.70107.2P312 I316P312-K314 PolarHBondContact O-N 3.46Å; K314-I316 PolarHBondContact O-N 2.64Å
315R39.2Very low37.2Very low241 Ų241149.3 Ų149.391%0.90978%0.781SS**  trans-56.4112.2160.8-84.4-176.6-179.1163.71106.2P313 L317P313-R315 PolarHBondContact O-N 3.05Å; R315-L317 VanDerWaalsContact C-N 3.31Å; R315-L317 PolarHBondContact O-N 2.98Å
316I31.9Very low36.3Very low152 Ų152150.4 Ų150.478%0.77979%0.787SS**  trans-65.798.2170.6-61.3171000105.1K314 E318K314-I316 PolarHBondContact O-N 2.64Å; I316-E318 PolarHBondContact O-N 3.01Å
317L39.4Very low35.5Very low160 Ų160154.6 Ų154.684%0.83880%0.798SS**  trans-71112.8155.7-94148.6000105.5R315R315-L317 VanDerWaalsContact C-N 3.31Å; R315-L317 PolarHBondContact O-N 2.98Å
318E31.4Very low34.9Very low152 Ų152158.6 Ų158.671%0.7181%0.806SS**  trans-51.6133.9172.5-69.1-171.7150.300110.2I316 H320I316-E318 PolarHBondContact O-N 3.01Å; E318-H320 PolarHBondContact O-N 3.02Å; E318-H320 VanDerWaalsContact O-N 3.15Å
319P34.4Very low34.1Very low121 Ų121158.7 Ų158.779%0.78681%0.806SS**  trans-77.7104.3175.829.2-29.1000109.4N321P319-N321 PolarHBondContact O-N 3.44Å
320H32.9Very low33.2Very low178 Ų178160.1 Ų160.182%0.82481%0.808SS**  trans-69.6121.3157.8-90.548.3000109.2E318E318-H320 PolarHBondContact O-N 3.02Å; E318-H320 VanDerWaalsContact O-N 3.15Å
321N31.8Very low32.8Very low158 Ų158163 Ų16385%0.84581%0.81SS**  trans-72.2128.7-167.9-160.74.7000111.6P319P319-N321 PolarHBondContact O-N 3.44Å
322G28.7Very low31.7Very low74 Ų74161 Ų16176%0.76381%0.81SS**  trans-161.289.517600000111.2
323K28Very low30.7Very low199 Ų199167.2 Ų167.287%0.86582%0.819SS**  trans-41.7134.5-175.5-67.1168.3175.8171.90115.3
324C25.7Very low30.2Very low135 Ų135167.2 Ų167.291%0.91282%0.817SS**  trans-143.6134.4138.1-147.20000110.1
325R27.9Very low29.6Very low243 Ų243165.9 Ų165.992%0.91781%0.811SS**  trans-76.2154.9-166.8-76.4178.5168.6177.6-4.3113.1
326E27.8Very low29Very low184 Ų184162 Ų16286%0.8681%0.808SS**  trans-50147.2177.4-60.5171153.100115.2
327F25.4Very low28.7Very low176 Ų176161.3 Ų161.377%0.77280%0.801SS**  trans-148.8116.9147.2-117.1-73000112.1
328F28.3Very low28.1Very low183 Ų183159.4 Ų159.480%0.80380%0.797SS**  trans99130.3160.7-59.1-67.2000121.1
329P29.7Very low27.8Very low102 Ų102160.7 Ų160.766%0.66280%0.803SS**  trans-107.9163.5-161.541.1-30.3000115.2
330N27.1Very low27.4Very low138 Ų138163.3 Ų163.374%0.73880%0.804SS**  trans57.1107.4147.8-67.7-8.7000120.4
331H28.5Very low27.2Very low186 Ų186160.6 Ų160.686%0.86180%0.796SS**  -137.8106.7129.9-95.3-63.3000110
332Q25.1Very low27Very low174 Ų174160.5 Ų160.581%0.81379%0.788SS**  trans-69.5133.9165.7-88.7172.3-26.200109.5
333W25.6Very low26.8Very low244 Ų244164 Ų16492%0.92479%0.79SS**  trans-113.4116.1156-8364.8000107.3
334V26.8Very low26.6Very low124 Ų124160.2 Ų160.275%0.75279%0.787SS**  trans-74.7134171.9173.80000108
335K25.7Very low27.1Very low160 Ų160159 Ų15970%0.69678%0.777SS**  trans-94.3132.1174.1-153.4-174-168.3-121.90106.2E337K335-E337 IonicContact NZ-OE1 3.52Å; K335-E337 PolarHBondContact NZ-OE1 3.22Å
336D26.3Very low27.1Very low160 Ų160154.4 Ų154.486%0.85677%0.769SS**  trans-141.7117.8155-107.2-14.9000109.6
337E26.3Very low27Very low136 Ų136155.7 Ų155.764%0.63677%0.772SS**  trans-75.6147.9153.8-67.2157.8-160.700104.8K335K335-E337 IonicContact NZ-OE1 3.52Å; K335-E337 PolarHBondContact NZ-OE1 3.22Å
338T26.8Very low27Very low120 Ų120155.4 Ų155.474%0.73677%0.773SS**  172.6156.464.7-23.40000108.1
339Q24.7Very low26.9Very low180 Ų180155.4 Ų155.484%0.84178%0.776SS**  trans96.4121.9140.6-106.3170.2-12.200122.6
340E26.9Very low26.7Very low175 Ų175155.4 Ų155.482%0.81878%0.784SS**  trans-56.6149.3162.9-58.8161.7145.300112.6
341D28.1Very low26.7Very low121 Ų121152.8 Ų152.865%0.64779%0.789SS**  171.8141.994.8-130.9-2.5000112.6
342K27.7Very low26.5Very low156 Ų156149.5 Ų149.568%0.67879%0.788SS**  trans68.9123143.2-76.4169.4-174.8131.90125.9
343D25.2Very low27.5Very low149 Ų149146.4 Ų146.480%0.79778%0.783SS**  79115.4128-67.9-26.6000123.9
344C22Very low27.6Very low119 Ų119141.4 Ų141.480%0.80477%0.773SS**  trans-37.2165.7157.6-78.10000117
345P36.9Very low27.5Very low109 Ų109142.6 Ų142.671%0.70878%0.775SS**  cis-155159.748.137.6-13.4000121.5
346I27.1Very low27.6Very low147 Ų147139.9 Ų139.975%0.75478%0.783SS**  trans50.1122.1137.6-54.8164.8000120.4
347K26.4Very low27.6Very low210 Ų210136.9 Ų136.991%0.91378%0.78SS**  -158132.5121.6-110.6177.5-176.8-175.70113.5
348E25.7Very low28.4Very low170 Ų170135.6 Ų135.679%0.79478%0.783SS**  trans-71.3155177.2-64.1166.7132.600113.1
349E26.5Very low28.2Very low184 Ų184141.6 Ų141.686%0.8679%0.794SS**  162.5109.9118.9-90.3-170.8165.200108.1
350A25.7Very low28.3Very low102 Ų102138.3 Ų138.384%0.84379%0.791SS**  89.2121.583.300000112.5
351G26.6Very low28.2Very low82 Ų82138.9 Ų138.985%0.84580%0.796SS**  trans155.970.2168.800000116.2
352S25.2Very low28.1Very low118 Ų118142 Ų14283%0.82581%0.807SS**  trans-112-179.4150.4-52.10000107
353P46Very low28Very low109 Ų109140.5 Ų140.571%0.70882%0.816SS**  cis-135.7-166.7-1527.4-3.1000111.9
354L26.4Very low28Very low139 Ų139141 Ų14173%0.72882%0.815SS**  trans146.2106.9136.6-75.5166.2000109.7
355N26Very low28.2Very low149 Ų149140 Ų14080%0.79781%0.81SS**  93.7121.382.2-911.9000113.1
356A26.8Very low27.8Very low103 Ų103142.8 Ų142.885%0.85181%0.814SS**  159.9121.8121.100000112.2
357A27.1Very low27.7Very low96 Ų96142.3 Ų142.379%0.79381%0.812SS**  trans-97.6-169.215200000107.8
358P42.3Very low27.8Very low109 Ų109139.4 Ų139.471%0.70881%0.813SS**  cis-131.1178-19.638.1-21.5000112
359Y23.9Very low27.9Very low247 Ų247139.8 Ų139.897%0.96981%0.814SS**  trans-151.8136.9151.6-97.6-76.9000112
360S25Very low27.9Very low111 Ų111137.5 Ų137.578%0.77681%0.813SS**  trans-120.6140.5172.2179.60000107.8
361M26.4Very low27.9Very low186 Ų186143.1 Ų143.192%0.91681%0.812SS**  trans-168.3143.5146.5-120.8179.1-168.400112.3
362E25.9Very low27.9Very low186 Ų186143.5 Ų143.587%0.86980%0.802SS**  trans-69.2160.9179.6-61.8159.3135.500114.1
363S25.1Very low28Very low125 Ų125149.5 Ų149.587%0.87481%0.806SS**  trans-163142.8134.9-173.30000112.3
364M24.9Very low27Very low160 Ų160150.8 Ų150.879%0.78881%0.812SS**  trans-92.3163.3-177.3-73.7-149.571.500114.1
365S27.2Very low27.2Very low99 Ų99151 Ų15169%0.69282%0.819SS**  trans73.3148.114873.50000117.3
366Q27.6Very low27.1Very low167 Ų167147.2 Ų147.278%0.7882%0.815SS**  cis-167.4147.520.9-138.5166.118.200110.4
367D25.5Very low27.1Very low136 Ų136146.1 Ų146.173%0.72781%0.813SS**  trans24.7133.2145.9-59.2-31.4000123.5
368T28.6Very low27Very low150 Ų150146.5 Ų146.592%0.9281%0.81SS**  -152.5117119.6-18.20000111.7
369E27.8Very low26.3Very low177 Ų177147.6 Ų147.683%0.82781%0.809SS**  trans-70.4170162.9-79.8-170.6131.100112.7
370V26.8Very low26.5Very low137 Ų137147.2 Ų147.283%0.8381%0.806SS**  trans135.2128145.9169.80000109.2
371R25.2Very low26.6Very low219 Ų219145.7 Ų145.783%0.82681%0.808SS**  cis-178.6138.1-3.1164.1173179.3165.51.9109
372S25.9Very low26.6Very low90 Ų90141.4 Ų141.463%0.62980%0.802SS**  trans42.7137.1147.586.20000122.6
373R27Very low26.6Very low245 Ų245141.6 Ų141.693%0.92580%0.803SS**  -160.3130.3100.8-100.8173.2-170.2175.93.5111.8
374V26.3Very low26.7Very low135 Ų135140.3 Ų140.382%0.81880%0.8SS**  trans-103.7136.9169.1166.50000108
375V29.2Very low26.9Very low144 Ų144137 Ų13787%0.87380%0.798SS**  trans-159.7131.6140.3-177.20000104.5
376G25.1Very low26.9Very low69 Ų69138 Ų13871%0.71181%0.805SS**  cis131.898.410.600000110.4
377G25.6Very low26.9Very low80 Ų80138 Ų13883%0.82581%0.81SS**  trans87.4160.3153.300000118.2
378S26Very low27Very low105 Ų105136.3 Ų136.373%0.73481%0.814SS**  cis-178.8158.2-24.7-170.20000106.9
379L27.8Very low27Very low131 Ų131139.2 Ų139.269%0.68681%0.814SS**  trans82.6116.6153.9-69.9137.6000122
380R27.7Very low26.9Very low240 Ų240134.8 Ų134.891%0.90682%0.816SS**  56.2138.4123.5-72.5-178.9-178-171.4-2.9121
381G25.9Very low27.1Very low79 Ų79137.4 Ų137.481%0.81482%0.819SS**  145.3126.9128.600000115.8
382A27Very low27.7Very low95 Ų95132.6 Ų132.679%0.78582%0.817SS**  trans-78.4171.9-17600000115.5
383Q27.1Very low27.9Very low190 Ų190133.7 Ų133.789%0.88882%0.824SS**  trans94.4114.4144.9-83.2172.79.800121.9
384A27.1Very low28.5Very low98 Ų98127.7 Ų127.781%0.8182%0.817SS**  trans9.1135.8136.800000121.1
385A29.2Very low28.9Very low91 Ų91127.3 Ų127.375%0.75282%0.817SS**  162.6144.399.800000114.5
386S26.9Very low29Very low120 Ų120130.2 Ų130.284%0.83982%0.818SS**  trans97.4135.5139.379.20000122.1
387L26.9Very low29.6Very low167 Ų167136.7 Ų136.787%0.87483%0.827SS**  trans-68.8154.7179.3-72.584.8000113.5
388A28.8Very low29.9Very low100 Ų100141.7 Ų141.783%0.82683%0.829SS**  -170.9135.8113.800000114.3
389K27.8Very low30.5Very low212 Ų212145.1 Ų145.192%0.92283%0.833SS**  trans-19.2142.7164.3-65.4171.9173.5-179.10120
390G25.6Very low31.2Very low84 Ų84145.6 Ų145.687%0.86684%0.836SS**  trans-161.7116.2150.600000110.4
391E31.4Very low31.9Very low191 Ų191142.4 Ų142.489%0.89383%0.831SS**  trans-109.9173.3178.1-129.7-170.1-174.100109.3
392P38.4Very low32.7Very low119 Ų119142.3 Ų142.377%0.77382%0.823SS**  -116.2167.6-105.336.4-20.8000114.9
393S28.7Very low33.3Very low113 Ų113143.8 Ų143.879%0.7982%0.817SS**  trans-112.6153.8172.356.40000112.1
394P39.4Very low34.1Very low118 Ų118138.9 Ų138.977%0.76680%0.803SS**PPolyproline II helixtrans-85.1168.1-151.235.2-36.2000115.3
395P36Very low35.1Very low128 Ų128141.9 Ų141.983%0.83180%0.801SS**PPolyproline II helixtrans-82.4141-165.833-33000113
396K30.3Very low36.1Very low205 Ų205145.5 Ų145.589%0.89180%0.795SS**PPolyproline II helixtrans-82.5135.3164.4-74.2-177.8176.7179.10109.4
397K37.1Very low37.5Very low204 Ų204146.4 Ų146.489%0.88778%0.784SS**PPolyproline II helixtrans-66.5124.9172.4-69.7178.7173.5-175.40110.3
398E32Very low39.1Very low186 Ų186142.1 Ų142.187%0.86977%0.766SS**  trans-129.877.3158.9-82.3-174.3169.300108.4
399E39.9Very low41Very low177 Ų177143.5 Ų143.583%0.82775%0.753SS**  trans-101.3107.9154.7-79.7-178.6147.300106
400D43Very low43Very low141 Ų141138 Ų13875%0.75473%0.734SS**  trans169.435.4148.8-96.9-18.5000115.5
401H41.3Very low45.3Very low172 Ų172138.1 Ų138.180%0.79672%0.717SS**SBendtrans-109.3-13.2171.5-85.3-74.1000115.3
402A42.3Very low47.3Very low77 Ų77134.3 Ų134.364%0.63670%0.703SS**SBendtrans-80.9-25.7-179.700000113.9S404A402-S404 PolarHBondContact O-N 3.28Å
403L39.6Very low49.2Very low126 Ų126133.7 Ų133.766%0.6669%0.691SS**SBendtrans-82.9-11.9-172.6-129.496.9000114.8
404S45Very low51.5Low87 Ų87132.1 Ų132.161%0.60868%0.679SS**SBendtrans-81.6-34.4-176.3-171.10000112.8A402 W406A402-S404 PolarHBondContact O-N 3.28Å; S404-W406 VanDerWaalsContact C-N 3.35Å; S404-W406 PolarHBondContact O-N 2.87Å
405H48.6Very low53.5Low162 Ų162130.1 Ų130.175%0.7567%0.665SS**THydrogen-bonded Turntrans-77.1-16.6-175.7-114.2-77.9000114.7
406W48.6Very low55.6Low166 Ų166126.5 Ų126.563%0.62965%0.645SS**Hα-helixtrans-90-19.1-175.9-7169.8000113.6S404 F409 L410S404-W406 VanDerWaalsContact C-N 3.35Å; S404-W406 PolarHBondContact O-N 2.87Å; W406-F409 PolarHBondContact O-N 3.22Å; W406-L410 HydrophobicContact CB-CD1 4.38Å; W406-L410 WeakPolarHBondContact O-CB 3.33Å; W406-L410 PolarHBondContact O-N 3.41Å
407K57.6Low58.2Low140 Ų140120.5 Ų120.561%0.60963%0.626SS**Hα-helixtrans-62.8-43.8-179.1-71.1-176.2178.2-1800113.5F409 V411K407-F409 PolarHBondContact O-N 3.44Å; K407-V411 WeakPolarHBondContact O-CB 3.43Å; K407-V411 WeakPolarHBondContact O-CG2 3.26Å; K407-V411 PolarHBondContact O-N 3.37Å
408P60.1Low60.7Low77 Ų77115.9 Ų115.950%0.562%0.615SS.*Hα-helixtrans-68.3-35.6178.1-16.530000112.6N412P408-N412 WeakPolarHBondContact O-CB 3.48Å; P408-N412 VanDerWaalsContact O-CG 3.25Å; P408-N412 PolarHBondContact O-N 3.23Å; P408-N412 VanDerWaalsContact O-N 3.08Å; P408-N412 PolarHBondContact O-ND2 2.94Å
409F67.8Low63.3Low129 Ų129112.6 Ų112.657%0.56660%0.603SS**Hα-helixtrans-70.2-45.6-178.5-175.5-95.4000112.1W406 K407 N412 M413W406-F409 PolarHBondContact O-N 3.22Å; K407-F409 PolarHBondContact O-N 3.44Å; F409-N412 PolarHBondContact O-N 3.26Å; F409-M413 HydrophobicContact CE1-CG 4.26Å; F409-M413 HydrophobicContact CE1-SD 4.33Å; F409-M413 HydrophobicContact CZ-CG 4.47Å; F409-M413 PolarHBondContact O-N 3.15Å
410L69.6Low65.5Low96 Ų96108.7 Ų108.750%0.50359%0.591SS.*Hα-helixtrans-64.4-39.9177.2-78163.6000112W406 M413 C414W406-L410 HydrophobicContact CB-CD1 4.38Å; W406-L410 WeakPolarHBondContact O-CB 3.33Å; W406-L410 PolarHBondContact O-N 3.41Å; L410-M413 PolarHBondContact O-N 2.66Å; L410-C414 PolarHBondContact O-N 3.1Å; L410-C414 PolarHBondContact O-SG 2.86Å; L410-C414 VanDerWaalsContact O-SG 3.36Å
411V75.1Confident67.6Low87 Ų87104.2 Ų104.253%0.52757%0.574SS.*Hα-helixtrans-63-43.5175.5172.10000111K407 M413 C414 V415K407-V411 WeakPolarHBondContact O-CB 3.43Å; K407-V411 WeakPolarHBondContact O-CG2 3.26Å; K407-V411 PolarHBondContact O-N 3.37Å; V411-M413 PolarHBondContact O-N 2.69Å; V411-C414 PolarHBondContact O-N 3.29Å; V411-V415 HydrophobicContact CG1-CG2 4.42Å; V411-V415 VanDerWaalsContact O-CG2 3.31Å; V411-V415 WeakPolarHBondContact O-CG2 3.41Å; V411-V415 PolarHBondContact O-N 3.34Å
412N73.4Confident69.9Low111 Ų11197.5 Ų97.559%0.59455%0.551SS**Hα-helixtrans-65.9-38.7178.4-74.3-13.5000112.7P408 F409 A416P408-N412 WeakPolarHBondContact O-CB 3.48Å; P408-N412 VanDerWaalsContact O-CG 3.25Å; P408-N412 PolarHBondContact O-N 3.23Å; P408-N412 VanDerWaalsContact O-N 3.08Å; P408-N412 PolarHBondContact O-ND2 2.94Å; F409-N412 PolarHBondContact O-N 3.26Å; N412-A416 WeakPolarHBondContact O-CB 3.29Å; N412-A416 PolarHBondContact O-N 2.86Å
413M76.8Confident71.9Confident105 Ų10596.8 Ų96.852%0.51755%0.545SS..Hα-helixtrans-62.5-46.7172.5-93.7-145.273.900111.7F409 L410 V411 V415 A416 T417F409-M413 HydrophobicContact CE1-CG 4.26Å; F409-M413 HydrophobicContact CE1-SD 4.33Å; F409-M413 HydrophobicContact CZ-CG 4.47Å; F409-M413 PolarHBondContact O-N 3.15Å; L410-M413 PolarHBondContact O-N 2.66Å; V411-M413 PolarHBondContact O-N 2.69Å; M413-V415 PolarHBondContact O-N 3.31Å; M413-A416 PolarHBondContact O-N 3.43Å; M413-T417 PolarHBondContact O-N 2.99Å; M413-T417 PolarHBondContact O-OG1 3.37Å
414C77.6Confident74.1Confident81 Ų8197.1 Ų97.155%0.54754%0.538SS..Hα-helixtrans-61.7-42178.6-720000112.2L410 V411 T417 V418L410-C414 PolarHBondContact O-N 3.1Å; L410-C414 PolarHBondContact O-SG 2.86Å; L410-C414 VanDerWaalsContact O-SG 3.36Å; V411-C414 PolarHBondContact O-N 3.29Å; C414-T417 PolarHBondContact O-N 3.09Å; C414-V418 VanDerWaalsContact O-CG2 3.32Å; C414-V418 WeakPolarHBondContact O-CG2 3.33Å; C414-V418 PolarHBondContact O-N 3.29Å
415V81.4Confident75.9Confident75 Ų7598.5 Ų98.546%0.45554%0.538SS..Hα-helixtrans-64-42.7176.9172.90000111.1V411 M413 T417 V418 L419V411-V415 HydrophobicContact CG1-CG2 4.42Å; V411-V415 VanDerWaalsContact O-CG2 3.31Å; V411-V415 WeakPolarHBondContact O-CG2 3.41Å; V411-V415 PolarHBondContact O-N 3.34Å; M413-V415 PolarHBondContact O-N 3.31Å; V415-T417 VanDerWaalsContact C-N 3.34Å; V415-T417 PolarHBondContact O-N 3.44Å; V415-V418 PolarHBondContact O-N 2.62Å; V415-L419 HydrophobicContact CG1-CD1 3.86Å; V415-L419 HydrophobicContact CG1-CG 4.32Å; V415-L419 WeakPolarHBondContact O-CB 3.47Å; V415-L419 VanDerWaalsContact O-CG 3.3Å; V415-L419 WeakPolarHBondContact O-CG 3.38Å; V415-L419 PolarHBondContact O-N 3.14Å
416A79.8Confident77.3Confident52 Ų5294.4 Ų94.443%0.4353%0.527SS..Hα-helixtrans-63-39.5176.700000112.3N412 M413 T420N412-A416 WeakPolarHBondContact O-CB 3.29Å; N412-A416 PolarHBondContact O-N 2.86Å; M413-A416 PolarHBondContact O-N 3.43Å; A416-T420 WeakPolarHBondContact O-CB 3.15Å; A416-T420 WeakPolarHBondContact O-CG2 3.35Å; A416-T420 PolarHBondContact O-N 3.37Å; A416-T420 PolarHBondContact O-OG1 3.5Å
417T86.3Confident78.9Confident80 Ų8093.3 Ų93.349%0.49152%0.524SS..Hα-helixtrans-67-40.9176-52.70000112M413 C414 V415 T420 A421M413-T417 PolarHBondContact O-N 2.99Å; M413-T417 PolarHBondContact O-OG1 3.37Å; C414-T417 PolarHBondContact O-N 3.09Å; V415-T417 VanDerWaalsContact C-N 3.34Å; V415-T417 PolarHBondContact O-N 3.44Å; T417-T420 WeakPolarHBondContact CA-OG1 3.3Å; T417-T420 PolarHBondContact O-OG1 3.19Å; T417-T420 VanDerWaalsContact O-OG1 3.05Å; T417-A421 VanDerWaalsContact O-CB 3.26Å; T417-A421 WeakPolarHBondContact O-CB 3.46Å; T417-A421 PolarHBondContact O-N 3.08Å
418V88.5Confident80Confident106 Ų10693.1 Ų93.164%0.64252%0.519SS*.Hα-helixtrans-67-41.1177.2172.30000111.3C414 V415 G422C414-V418 VanDerWaalsContact O-CG2 3.32Å; C414-V418 WeakPolarHBondContact O-CG2 3.33Å; C414-V418 PolarHBondContact O-N 3.29Å; V415-V418 PolarHBondContact O-N 2.62Å; V418-G422 PolarHBondContact O-N 2.9Å
419L87.3Confident80.8Confident118 Ų11897 Ų9762%0.61853%0.529SS*.Hα-helixtrans-66.6-40.9178-71.7172.8000112.3V415 G422 A423V415-L419 HydrophobicContact CG1-CD1 3.86Å; V415-L419 HydrophobicContact CG1-CG 4.32Å; V415-L419 WeakPolarHBondContact O-CB 3.47Å; V415-L419 VanDerWaalsContact O-CG 3.3Å; V415-L419 WeakPolarHBondContact O-CG 3.38Å; V415-L419 PolarHBondContact O-N 3.14Å; L419-G422 PolarHBondContact O-N 2.9Å; L419-A423 WeakPolarHBondContact O-CB 3.21Å; L419-A423 PolarHBondContact O-N 2.87Å
420T86.4Confident81.1Confident95 Ų9597.1 Ų97.158%0.58354%0.535SS*.Hα-helixtrans-69.9-41.2177.545.40000112.1A416 T417 A423 Y424A416-T420 WeakPolarHBondContact O-CB 3.15Å; A416-T420 WeakPolarHBondContact O-CG2 3.35Å; A416-T420 PolarHBondContact O-N 3.37Å; A416-T420 PolarHBondContact O-OG1 3.5Å; T417-T420 WeakPolarHBondContact CA-OG1 3.3Å; T417-T420 PolarHBondContact O-OG1 3.19Å; T417-T420 VanDerWaalsContact O-OG1 3.05Å; T420-A423 PolarHBondContact O-N 3.16Å; T420-Y424 WeakPolarHBondContact O-CB 3.28Å; T420-Y424 PolarHBondContact O-N 3.32Å
421A87.7Confident81.1Confident47 Ų4799.4 Ų99.439%0.38854%0.541SS..Hα-helixtrans-64.3-41.4173.200000111.9T417 Y424 L425T417-A421 VanDerWaalsContact O-CB 3.26Å; T417-A421 WeakPolarHBondContact O-CB 3.46Å; T417-A421 PolarHBondContact O-N 3.08Å; A421-Y424 PolarHBondContact O-N 3Å; A421-L425 WeakPolarHBondContact O-CB 3.37Å; A421-L425 WeakPolarHBondContact O-CG 3.42Å; A421-L425 PolarHBondContact O-N 3.27Å
422G88.1Confident80.4Confident31 Ų31100.4 Ų100.432%0.3254%0.543SS..Hα-helixtrans-62.3-45.617500000112.5V418 L419 Y424 L425 C426V418-G422 PolarHBondContact O-N 2.9Å; L419-G422 PolarHBondContact O-N 2.9Å; G422-Y424 VanDerWaalsContact C-N 3.33Å; G422-Y424 PolarHBondContact O-N 2.66Å; G422-L425 PolarHBondContact O-N 3.37Å; G422-C426 WeakPolarHBondContact O-CB 3.37Å; G422-C426 PolarHBondContact O-N 3.21Å; G422-C426 PolarHBondContact O-SG 3.3Å; G422-C426 VanDerWaalsContact O-SG 3.42Å
423A85Confident79.6Confident62 Ų6298.6 Ų98.651%0.51254%0.539SS..Hα-helixtrans-62.8-39.4175.800000112.1L419 T420 C426 Y427L419-A423 WeakPolarHBondContact O-CB 3.21Å; L419-A423 PolarHBondContact O-N 2.87Å; T420-A423 PolarHBondContact O-N 3.16Å; A423-C426 PolarHBondContact O-N 3.18Å; A423-Y427 WeakPolarHBondContact O-CB 3.48Å; A423-Y427 PolarHBondContact O-N 3.26Å
424Y84.9Confident78.6Confident132 Ų132101.2 Ų101.252%0.51856%0.555SS.*Hα-helixtrans-65.4-41.2175.8-178.2-99.5000112.4T420 A421 G422 Y427 R428T420-Y424 WeakPolarHBondContact O-CB 3.28Å; T420-Y424 PolarHBondContact O-N 3.32Å; A421-Y424 PolarHBondContact O-N 3Å; G422-Y424 VanDerWaalsContact C-N 3.33Å; G422-Y424 PolarHBondContact O-N 2.66Å; Y424-Y427 PolarHBondContact O-N 2.89Å; Y424-R428 HydrophobicContact CE1-CG 4.1Å; Y424-R428 WeakPolarHBondContact O-CB 3.42Å; Y424-R428 PolarHBondContact O-N 3.34Å
425L83.8Confident77.3Confident116 Ų116106.9 Ų106.961%0.60759%0.588SS**Hα-helixtrans-68-40.7176.3-72.5170.2000111.9A421 G422 R428 F429A421-L425 WeakPolarHBondContact O-CB 3.37Å; A421-L425 WeakPolarHBondContact O-CG 3.42Å; A421-L425 PolarHBondContact O-N 3.27Å; G422-L425 PolarHBondContact O-N 3.37Å; L425-R428 PolarHBondContact O-N 3.38Å; L425-F429 WeakPolarHBondContact O-CB 3.44Å; L425-F429 PolarHBondContact O-N 3.38Å
426C78.6Confident77.1Confident76 Ų76108.5 Ų108.551%0.51459%0.594SS.*Hα-helixtrans-62.3-41.9172.8-74.70000111.8G422 A423 F429 L430G422-C426 WeakPolarHBondContact O-CB 3.37Å; G422-C426 PolarHBondContact O-N 3.21Å; G422-C426 PolarHBondContact O-SG 3.3Å; G422-C426 VanDerWaalsContact O-SG 3.42Å; A423-C426 PolarHBondContact O-N 3.18Å; C426-F429 PolarHBondContact O-N 3.26Å; C426-L430 WeakPolarHBondContact O-CB 3.46Å; C426-L430 VanDerWaalsContact O-CG 3.3Å; C426-L430 WeakPolarHBondContact O-CG 3.49Å; C426-L430 PolarHBondContact O-N 2.6Å
427Y81.3Confident76.9Confident144 Ų144111.5 Ų111.557%0.56560%0.603SS**Hα-helixtrans-60.8-45.7174.3178.7-95.9000111.5A423 Y424 F429 L430 F431A423-Y427 WeakPolarHBondContact O-CB 3.48Å; A423-Y427 PolarHBondContact O-N 3.26Å; Y424-Y427 PolarHBondContact O-N 2.89Å; Y427-F429 VanDerWaalsContact C-N 3.34Å; Y427-F429 PolarHBondContact O-N 3.12Å; Y427-L430 PolarHBondContact O-N 3.21Å; Y427-F431 AromaticContact CD2-CD2 3.49Å; Y427-F431 HydrophobicContact CD2-CD2 3.49Å; Y427-F431 VanDerWaalsContact CD2-CD2 3.49Å; Y427-F431 AromaticContact CD2-CE2 3.82Å; Y427-F431 HydrophobicContact CD2-CE2 3.82Å; Y427-F431 HydrophobicContact CD2-CG 4.38Å; Y427-F431 AromaticContact CE2-CD2 3.61Å; Y427-F431 HydrophobicContact CE2-CD2 3.61Å; Y427-F431 AromaticContact CE2-CE2 3.95Å; Y427-F431 HydrophobicContact CE2-CE2 3.95Å; Y427-F431 HydrophobicContact CE2-CG 4.12Å; Y427-F431 HydrophobicContact CG-CD2 4.18Å; Y427-F431 WeakPolarHBondContact O-CB 3.27Å; Y427-F431 WeakPolarHBondContact O-CD2 3.44Å; Y427-F431 PolarHBondContact O-N 3.36Å
428R80.2Confident76.4Confident135 Ų135113.2 Ų113.251%0.50961%0.609SS.*Hα-helixtrans-62-38174.8-90.2-108.7178.6163.6-5.2112.9Y424 L425 N432Y424-R428 HydrophobicContact CE1-CG 4.1Å; Y424-R428 WeakPolarHBondContact O-CB 3.42Å; Y424-R428 PolarHBondContact O-N 3.34Å; L425-R428 PolarHBondContact O-N 3.38Å; R428-N432 WeakPolarHBondContact O-CB 3.25Å; R428-N432 PolarHBondContact O-N 3.3Å; R428-N432 VanDerWaalsContact O-N 3.16Å
429F77.2Confident75.7Confident160 Ų160113.6 Ų113.670%0.70261%0.607SS**Hα-helixtrans-74.8-38.7-179.1-154.1-92000112.2L425 C426 Y427 S433L425-F429 WeakPolarHBondContact O-CB 3.44Å; L425-F429 PolarHBondContact O-N 3.38Å; C426-F429 PolarHBondContact O-N 3.26Å; Y427-F429 VanDerWaalsContact C-N 3.34Å; Y427-F429 PolarHBondContact O-N 3.12Å; F429-S433 WeakPolarHBondContact O-CB 3.41Å; F429-S433 PolarHBondContact O-OG 3.31Å
430L75.2Confident75Confident131 Ų131113.4 Ų113.469%0.68661%0.607SS**Hα-helixtrans-77.1-33.5-178.4-70.5169.5000113.4C426 Y427C426-L430 WeakPolarHBondContact O-CB 3.46Å; C426-L430 VanDerWaalsContact O-CG 3.3Å; C426-L430 WeakPolarHBondContact O-CG 3.49Å; C426-L430 PolarHBondContact O-N 2.6Å; Y427-L430 PolarHBondContact O-N 3.21Å
431F67.9Low74.2Confident144 Ų144114.6 Ų114.663%0.63261%0.608SS**Hα-helixtrans-106.9-7-173.8-69.7-81.7000114.8Y427Y427-F431 AromaticContact CD2-CD2 3.49Å; Y427-F431 HydrophobicContact CD2-CD2 3.49Å; Y427-F431 VanDerWaalsContact CD2-CD2 3.49Å; Y427-F431 AromaticContact CD2-CE2 3.82Å; Y427-F431 HydrophobicContact CD2-CE2 3.82Å; Y427-F431 HydrophobicContact CD2-CG 4.38Å; Y427-F431 AromaticContact CE2-CD2 3.61Å; Y427-F431 HydrophobicContact CE2-CD2 3.61Å; Y427-F431 AromaticContact CE2-CE2 3.95Å; Y427-F431 HydrophobicContact CE2-CE2 3.95Å; Y427-F431 HydrophobicContact CE2-CG 4.12Å; Y427-F431 HydrophobicContact CG-CD2 4.18Å; Y427-F431 WeakPolarHBondContact O-CB 3.27Å; Y427-F431 WeakPolarHBondContact O-CD2 3.44Å; Y427-F431 PolarHBondContact O-N 3.36Å
432N61.5Low73.2Confident108 Ų108119.4 Ų119.458%0.57862%0.624SS**SBendtrans-118.510.6-177.6-125.241.2000113.7R428R428-N432 WeakPolarHBondContact O-CB 3.25Å; R428-N432 PolarHBondContact O-N 3.3Å; R428-N432 VanDerWaalsContact O-N 3.16Å
433S56.9Low72.1Confident72 Ų72126.2 Ų126.250%0.50365%0.647SS.*SBendtrans-10315.4175.6-53.50000113.8F429F429-S433 WeakPolarHBondContact O-CB 3.41Å; F429-S433 PolarHBondContact O-OG 3.31Å
434N55.6Low71Confident160 Ų160131.6 Ų131.686%0.85666%0.658SS**  trans-119.955.5175.4-94.5-9.9000111.6
435T49.1Very low69.8Low201 Ų201131.5 Ų131.5100%1.23367%0.671SS**  trans-142.30159.843.90000109.5

Retrieved 435 of 435 residues in 582.7 ms (Link to these results)

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