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Transaldolase

Catalyzes the rate-limiting step of the non-oxidative phase in the pentose phosphate pathway. Catalyzes the reversible conversion of sedheptulose-7-phosphate and D-glyceraldehyde 3-phosphate into erythrose-4-phosphate and beta-D-fructose 6-phosphate.

AlphaFold DB , UniProt , Accession G4LZK0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 331 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
1M68.2Low93.3Very high229 Ų22963.1 Ų63.1100%1.12831%0.314SS*.  01440-74176.2-17900107.6
2S90.3Very high93.7Very high59 Ų5958.3 Ų58.341%0.41329%0.291SS..  trans-67.6138171.8-67.90000109.7
3S96.1Very high94Very high16 Ų1659.2 Ų59.211%0.11230%0.296CS..  trans-76.5162.1174.763.80000111.2L5 D6 H7 S254 M256S3-L5 PolarHBondContact O-N 3.25Å; S3-D6 PolarHBondContact N-OD2 3.26Å; S3-D6 WeakPolarHBondContact O-CA 3.4Å; S3-D6 WeakPolarHBondContact O-CB 3.14Å; S3-D6 PolarHBondContact O-N 2.73Å; S3-D6 PolarHBondContact OG-N 3.16Å; S3-D6 PolarHBondContact OG-OD2 3.35Å; S3-H7 PolarHBondContact O-CD2 3.45Å; S3-H7 VanDerWaalsContact O-CD2 3.25Å; S3-H7 PolarHBondContact O-N 3.45Å; S3-H7 VanDerWaalsContact O-N 3.11Å; S3-S254 VanDerWaalsContact CB-O 3.29Å; S3-S254 WeakPolarHBondContact CB-O 3.44Å; S3-M256 WeakPolarHBondContact CA-O 3.3Å
4T97.7Very high94.3Very high0 Ų055.3 Ų55.30%028%0.276CS..Hα-helixtrans-54.7-36.2171.3-60.50000111.7D6 H7 L8 L235 L253 M256 S257 E258 P260T4-D6 VanDerWaalsContact C-N 3.34Å; T4-D6 PolarHBondContact O-N 3.34Å; T4-H7 PolarHBondContact O-N 3.3Å; T4-L8 WeakPolarHBondContact O-CB 3.35Å; T4-L8 PolarHBondContact O-N 3.43Å; T4-L235 HydrophobicContact CG2-CD1 4.45Å; T4-L235 HydrophobicContact CG2-CD2 3.53Å; T4-L253 WeakPolarHBondContact CB-O 3.31Å; T4-L253 HydrophobicContact CG2-CD2 3.87Å; T4-L253 PolarHBondContact N-O 3.38Å; T4-M256 PolarHBondContact N-O 2.73Å; T4-M256 VanDerWaalsContact OG1-C 3.27Å; T4-M256 WeakPolarHBondContact OG1-CB 3.2Å; T4-M256 PolarHBondContact OG1-O 3.34Å; T4-S257 PolarHBondContact OG1-N 2.93Å; T4-E258 WeakPolarHBondContact CA-O 3.32Å; T4-E258 WeakPolarHBondContact CB-O 3.38Å; T4-E258 HydrophobicContact CG2-CB 4.5Å; T4-E258 WeakPolarHBondContact CG2-O 3.38Å; T4-E258 WeakPolarHBondContact OG1-CA 3.36Å; T4-E258 PolarHBondContact OG1-N 3.44Å; T4-E258 PolarHBondContact OG1-O 3.03Å; T4-P260 HydrophobicContact CG2-CG 4.39Å
5L96.6Very high94.5Very high7 Ų751.7 Ų51.74%0.03726%0.258CS..Hα-helixtrans-60.8-40172.8-178.359.2000112.6S3 L8 K9 I14 Y27 L250 L253S3-L5 PolarHBondContact O-N 3.25Å; L5-L8 PolarHBondContact O-N 2.99Å; L5-K9 WeakPolarHBondContact O-CG 3.33Å; L5-K9 PolarHBondContact O-N 3.23Å; L5-I14 HydrophobicContact CD1-CG1 4.42Å; L5-Y27 HydrophobicContact CD2-CD1 4.18Å; L5-L250 HydrophobicContact CD1-CD2 3.85Å; L5-L250 HydrophobicContact CD2-CD2 4.46Å; L5-L253 HydrophobicContact CB-CB 3.97Å; L5-L253 PolarHBondContact N-O 3.08Å; L5-L253 VanDerWaalsContact N-O 3.13Å
6D96Very high94.7Very high68 Ų6848.6 Ų48.636%0.36424%0.243SC..Hα-helixtrans-67.2-36.7177.4-61.1-44.2000111.8S3 T4S3-D6 PolarHBondContact N-OD2 3.26Å; S3-D6 WeakPolarHBondContact O-CA 3.4Å; S3-D6 WeakPolarHBondContact O-CB 3.14Å; S3-D6 PolarHBondContact O-N 2.73Å; S3-D6 PolarHBondContact OG-N 3.16Å; S3-D6 PolarHBondContact OG-OD2 3.35Å; T4-D6 VanDerWaalsContact C-N 3.34Å; T4-D6 PolarHBondContact O-N 3.34Å
7H96.1Very high94.8Very high22 Ų2247.4 Ų47.410%0.10224%0.238CC..Hα-helixtrans-67.6-42.7172.9-71.3-86000111.5S3 T4 K9 K10 H11 E259S3-H7 PolarHBondContact O-CD2 3.45Å; S3-H7 VanDerWaalsContact O-CD2 3.25Å; S3-H7 PolarHBondContact O-N 3.45Å; S3-H7 VanDerWaalsContact O-N 3.11Å; T4-H7 PolarHBondContact O-N 3.3Å; H7-K9 VanDerWaalsContact C-N 3.32Å; H7-K9 PolarHBondContact O-N 3.07Å; H7-K10 PolarHBondContact ND1-NZ 3.04Å; H7-K10 WeakPolarHBondContact O-CB 3.31Å; H7-K10 PolarHBondContact O-N 3.12Å; H7-K10 VanDerWaalsContact O-N 3.12Å; H7-H11 PolarHBondContact O-CD2 3.38Å; H7-E259 IonicContact CE1-OE1 4Å; H7-E259 PolarHBondContact CE1-OE1 2.89Å; H7-E259 IonicContact CE1-OE2 2.72Å; H7-E259 VanDerWaalsContact ND1-CD 3.28Å; H7-E259 WeakPolarHBondContact ND1-CG 3.47Å; H7-E259 IonicContact ND1-OE1 2.87Å; H7-E259 PolarHBondContact ND1-OE1 2.84Å
8L96.5Very high94.9Very high0 Ų045.6 Ų45.60%023%0.23CC..Hα-helixtrans-58.9-42.9177.2-174.667000111.9T4 L5 K10 H11 T12 I14 I234 V238 L243 I245 L253T4-L8 WeakPolarHBondContact O-CB 3.35Å; T4-L8 PolarHBondContact O-N 3.43Å; L5-L8 PolarHBondContact O-N 2.99Å; L8-K10 PolarHBondContact O-N 3.44Å; L8-K10 VanDerWaalsContact O-N 3.12Å; L8-H11 PolarHBondContact O-N 2.94Å; L8-T12 PolarHBondContact O-N 3.35Å; L8-I14 HydrophobicContact CD2-CD1 3.53Å; L8-I14 HydrophobicContact CG-CD1 3.79Å; L8-I234 HydrophobicContact CD1-CG2 4.5Å; L8-I234 HydrophobicContact CD2-CG2 3.58Å; L8-V238 HydrophobicContact CD1-CB 4.19Å; L8-V238 HydrophobicContact CD1-CG1 4.22Å; L8-V238 HydrophobicContact CD1-CG2 3.49Å; L8-V238 VanDerWaalsContact CD1-CG2 3.49Å; L8-L243 HydrophobicContact CD1-CD1 4.25Å; L8-I245 HydrophobicContact CD2-CD1 4.09Å; L8-L253 HydrophobicContact CD2-CD1 4.26Å
9K95.9Very high94.8Very high84 Ų8443.3 Ų43.337%0.36522%0.219SC..THydrogen-bonded Turntrans-59.8-20177.7-78.2179.1176-170.60114.2L5 H7 H11 I14 Y27L5-K9 WeakPolarHBondContact O-CG 3.33Å; L5-K9 PolarHBondContact O-N 3.23Å; H7-K9 VanDerWaalsContact C-N 3.32Å; H7-K9 PolarHBondContact O-N 3.07Å; K9-H11 VanDerWaalsContact C-N 3.31Å; K9-I14 HydrophobicContact CG-CB 4.49Å; K9-I14 HydrophobicContact CG-CG1 3.58Å; K9-Y27 PolarHBondContact NZ-O 3.02Å
10K96.1Very high94.8Very high123 Ų12342.7 Ų42.754%0.53522%0.216SC..THydrogen-bonded Turntrans-74.8-21.6176.4-62.9171.8-173.8169.40113H7 L8H7-K10 PolarHBondContact ND1-NZ 3.04Å; H7-K10 WeakPolarHBondContact O-CB 3.31Å; H7-K10 PolarHBondContact O-N 3.12Å; H7-K10 VanDerWaalsContact O-N 3.12Å; L8-K10 PolarHBondContact O-N 3.44Å; L8-K10 VanDerWaalsContact O-N 3.12Å
11H96.7Very high94.8Very high86 Ų8641 Ų4140%0.39821%0.208SC..THydrogen-bonded Turntrans-120.9-22.7-170-59.4-62.5000113.5H7 L8 K9 V238 V262H7-H11 PolarHBondContact O-CD2 3.38Å; L8-H11 PolarHBondContact O-N 2.94Å; K9-H11 VanDerWaalsContact C-N 3.31Å; H11-V238 HydrophobicContact CB-CG1 3.78Å; H11-V262 HydrophobicContact CB-CG2 4.32Å
12T97.9Very high96Very high6 Ų634.6 Ų34.64%0.03718%0.178CC..SBendtrans-142138.8-175.2-66.10000111L8 I14 G239 C240 L243L8-T12 PolarHBondContact O-N 3.35Å; T12-I14 PolarHBondContact O-N 3.32Å; T12-G239 WeakPolarHBondContact OG1-CA 3.41Å; T12-G239 PolarHBondContact OG1-N 3.33Å; T12-C240 WeakPolarHBondContact CB-O 3.41Å; T12-C240 WeakPolarHBondContact CG2-O 3.38Å; T12-C240 PolarHBondContact OG1-N 3.41Å; T12-C240 PolarHBondContact OG1-O 3.45Å; T12-L243 HydrophobicContact CG2-CB 4.18Å; T12-L243 HydrophobicContact CG2-CD1 3.65Å; T12-L243 HydrophobicContact CG2-CG 3.55Å
13I98.1Very high96.1Very high69 Ų6933 Ų3335%0.35417%0.167SC..EExtended strand (participates in β ladder)trans-71.9125.6176.6-62173.9000109.2V15 V30 D241 L242 L243I13-V15 HydrophobicContact CG2-CG2 4.46Å; I13-V30 HydrophobicContact CG2-CB 3.69Å; I13-V30 HydrophobicContact CG2-CG1 4.07Å; I13-V30 HydrophobicContact CG2-CG2 3.96Å; I13-D241 WeakPolarHBondContact CB-O 3.32Å; I13-D241 PolarHBondContact N-O 3.05Å; I13-L242 HydrophobicContact CB-CB 4.47Å; I13-L242 HydrophobicContact CB-CD2 4.25Å; I13-L242 HydrophobicContact CB-CG 3.99Å; I13-L242 HydrophobicContact CD1-CG 4.49Å; I13-L242 HydrophobicContact CG2-CD2 3.92Å; I13-L242 HydrophobicContact CG2-CG 4.23Å; I13-L242 CarbonylContact O-C 3.6Å; I13-L242 VanDerWaalsContact O-CA 3.32Å; I13-L242 WeakPolarHBondContact O-CA 3.34Å; I13-L243 PolarHBondContact O-N 3.2Å
14I97.7Very high96Very high5 Ų532.2 Ų32.23%0.02616%0.161CC..EExtended strand (participates in β ladder)trans-92.1128.8179.2-55.7-53.8000110.5L5 L8 K9 T12 P29 V30 I245 L250L5-I14 HydrophobicContact CD1-CG1 4.42Å; L8-I14 HydrophobicContact CD2-CD1 3.53Å; L8-I14 HydrophobicContact CG-CD1 3.79Å; K9-I14 HydrophobicContact CG-CB 4.49Å; K9-I14 HydrophobicContact CG-CG1 3.58Å; T12-I14 PolarHBondContact O-N 3.32Å; I14-P29 WeakPolarHBondContact O-CB 3.44Å; I14-V30 PolarHBondContact O-N 3.05Å; I14-I245 HydrophobicContact CD1-CD1 4.03Å; I14-I245 HydrophobicContact CG2-CD1 4.47Å; I14-L250 HydrophobicContact CG2-CD2 3.79Å
15V98.3Very high95.9Very high1 Ų137.9 Ų37.91%0.00618%0.182CC..EExtended strand (participates in β ladder)trans-119.2133.9178.6-1780000108.2I13 D31 M224 L242 L243 T244 I245I13-V15 HydrophobicContact CG2-CG2 4.46Å; V15-D31 WeakPolarHBondContact CA-O 3.45Å; V15-D31 HydrophobicContact CB-CB 4.36Å; V15-D31 HydrophobicContact CG1-CB 3.88Å; V15-D31 WeakPolarHBondContact CG1-O 3.49Å; V15-D31 HydrophobicContact CG2-CB 3.84Å; V15-M224 HydrophobicContact CB-SD 3.99Å; V15-M224 HydrophobicContact CG1-SD 3.88Å; V15-M224 HydrophobicContact CG2-SD 3.75Å; V15-L242 HydrophobicContact CG2-CB 4.11Å; V15-L242 HydrophobicContact CG2-CD2 3.75Å; V15-L243 PolarHBondContact N-O 3.02Å; V15-T244 VanDerWaalsContact O-CA 3.3Å; V15-T244 WeakPolarHBondContact O-CA 3.3Å; V15-I245 PolarHBondContact O-N 3.01Å
16A97.3Very high95.7Very high2 Ų243.4 Ų43.42%0.01721%0.206CC..EExtended strand (participates in β ladder)trans-79.8138.3173.900000111.3T18 I24 P29 D31 S32 T33A16-T18 HydrophobicContact CB-CG2 4.28Å; A16-I24 HydrophobicContact CB-CG1 4.09Å; A16-P29 HydrophobicContact CB-CB 4.11Å; A16-P29 HydrophobicContact CB-CG 3.66Å; A16-D31 PolarHBondContact N-O 3.01Å; A16-D31 VanDerWaalsContact N-O 3.12Å; A16-S32 CarbonylContact O-C 3.54Å; A16-S32 WeakPolarHBondContact O-CA 3.22Å; A16-S32 PolarHBondContact O-OG 2.71Å; A16-T33 PolarHBondContact O-N 3.07Å
17D96.3Very high95.5Very high28 Ų2841 Ų4115%0.1519%0.192CC..EExtended strand (participates in β ladder)trans-107.277.2174.6-166.329000109.6L38 T244 I245D17-L38 WeakPolarHBondContact OD1-CD1 3.39Å; D17-T244 WeakPolarHBondContact CB-OG1 3.4Å; D17-I245 PolarHBondContact N-O 3.13Å
18T96Very high95.1Very high15 Ų1545.9 Ų45.99%0.09222%0.219CC..  trans-163.2153.3-177.2-172.30000112.8A16 D20 I24 T33 P247A16-T18 HydrophobicContact CB-CG2 4.28Å; T18-D20 PolarHBondContact OG1-N 3.07Å; T18-I24 HydrophobicContact CG2-CD1 4.05Å; T18-I24 HydrophobicContact CG2-CG1 3.47Å; T18-I24 VanDerWaalsContact CG2-CG1 3.47Å; T18-T33 PolarHBondContact N-O 3.28Å; T18-P247 HydrophobicContact CG2-CG 3.99Å
19G93.1Very high94.9Very high2 Ų246 Ų462%0.02122%0.219CC..SBendtrans-95.20.5165.800000113.8A42 F81G19-A42 WeakPolarHBondContact O-CB 3.4Å; G19-F81 WeakPolarHBondContact O-CE1 3.24Å
20D95Very high95Very high32 Ų3245.1 Ų45.117%0.17122%0.221CC..  trans-91.6110.6178.3167.826.8000111.6T18 N22 S23 I24 Y48T18-D20 PolarHBondContact OG1-N 3.07Å; D20-N22 VanDerWaalsContact C-N 3.26Å; D20-N22 PolarHBondContact O-N 2.83Å; D20-N22 WeakPolarHBondContact OD1-CB 3.44Å; D20-N22 PolarHBondContact OD1-N 3.4Å; D20-S23 WeakPolarHBondContact O-CB 3.44Å; D20-S23 PolarHBondContact O-N 2.97Å; D20-S23 VanDerWaalsContact OD2-CB 3.32Å; D20-S23 WeakPolarHBondContact OD2-CB 3.24Å; D20-S23 PolarHBondContact OD2-N 3.39Å; D20-S23 PolarHBondContact OD2-OG 3.38Å; D20-I24 WeakPolarHBondContact O-CG1 3.4Å; D20-I24 PolarHBondContact O-N 3.43Å; D20-Y48 PolarHBondContact OD1-OH 2.94Å
21F94.7Very high95.1Very high8 Ų839.7 Ų39.74%0.03520%0.197CC..Hα-helixtrans-61.9-30.1-178.5-48.7-34.3000113.4I24 R25 Y48 L51 F81 E84 I85 I88F21-I24 PolarHBondContact O-N 2.86Å; F21-R25 WeakPolarHBondContact O-CG 3.47Å; F21-R25 PolarHBondContact O-N 2.92Å; F21-Y48 HydrophobicContact CD2-CD1 4.02Å; F21-Y48 AromaticContact CD2-CE1 3.35Å; F21-Y48 HydrophobicContact CD2-CE1 3.35Å; F21-Y48 AromaticContact CD2-CZ 3.71Å; F21-Y48 AromaticContact CE2-CD1 3.76Å; F21-Y48 HydrophobicContact CE2-CD1 3.76Å; F21-Y48 AromaticContact CE2-CE1 3.57Å; F21-Y48 HydrophobicContact CE2-CE1 3.57Å; F21-Y48 HydrophobicContact CE2-CG 4.41Å; F21-Y48 HydrophobicContact CG-CE1 4.22Å; F21-Y48 PolarHBondContact N-OH 3.5Å; F21-L51 HydrophobicContact CE2-CD1 3.8Å; F21-L51 HydrophobicContact CZ-CD1 3.76Å; F21-F81 AromaticContact CE1-CD1 3.61Å; F21-F81 HydrophobicContact CE1-CD1 3.61Å; F21-F81 HydrophobicContact CE1-CE1 4.14Å; F21-F81 HydrophobicContact CE1-CG 4.45Å; F21-F81 HydrophobicContact CE2-CE1 4.44Å; F21-F81 AromaticContact CZ-CD1 3.4Å; F21-F81 HydrophobicContact CZ-CD1 3.4Å; F21-F81 VanDerWaalsContact CZ-CD1 3.4Å; F21-F81 AromaticContact CZ-CE1 3.68Å; F21-F81 HydrophobicContact CZ-CE1 3.68Å; F21-F81 HydrophobicContact CZ-CG 4.12Å; F21-E84 HydrophobicContact CD1-CB 4.19Å; F21-E84 HydrophobicContact CD2-CB 4.12Å; F21-E84 HydrophobicContact CE1-CB 3.68Å; F21-E84 HydrophobicContact CE2-CB 3.61Å; F21-E84 HydrophobicContact CE2-CG 3.85Å; F21-E84 HydrophobicContact CG-CB 4.41Å; F21-E84 HydrophobicContact CZ-CB 3.38Å; F21-E84 HydrophobicContact CZ-CG 3.89Å; F21-I85 HydrophobicContact CD1-CG1 3.92Å; F21-I85 HydrophobicContact CE1-CD1 4.47Å; F21-I85 HydrophobicContact CE1-CG1 3.82Å; F21-I88 HydrophobicContact CB-CD1 3.75Å; F21-I88 HydrophobicContact CG-CD1 4.36Å
22N93.9Very high95.1Very high93 Ų9335.6 Ų35.650%0.49718%0.178SC..Hα-helixtrans-70.2-41.7179.2-68.8-23.9000110.8D20 I24 R25 K26D20-N22 VanDerWaalsContact C-N 3.26Å; D20-N22 PolarHBondContact O-N 2.83Å; D20-N22 WeakPolarHBondContact OD1-CB 3.44Å; D20-N22 PolarHBondContact OD1-N 3.4Å; N22-I24 VanDerWaalsContact C-N 3.31Å; N22-I24 PolarHBondContact O-N 3.5Å; N22-R25 PolarHBondContact O-N 3.1Å; N22-R25 PolarHBondContact OD1-NH1 3.3Å; N22-R25 VanDerWaalsContact OD1-NH1 3.11Å; N22-K26 PolarHBondContact O-N 3.23Å; N22-K26 VanDerWaalsContact O-N 3.1Å
23S92.4Very high95.1Very high26 Ų2635.4 Ų35.418%0.18218%0.178CC..Hα-helixtrans-60-40.7172.1-690000112D20 K26 Y27D20-S23 WeakPolarHBondContact O-CB 3.44Å; D20-S23 PolarHBondContact O-N 2.97Å; D20-S23 VanDerWaalsContact OD2-CB 3.32Å; D20-S23 WeakPolarHBondContact OD2-CB 3.24Å; D20-S23 PolarHBondContact OD2-N 3.39Å; D20-S23 PolarHBondContact OD2-OG 3.38Å; S23-K26 PolarHBondContact O-N 2.99Å; S23-Y27 VanDerWaalsContact O-CD2 3.27Å; S23-Y27 WeakPolarHBondContact O-CD2 3.31Å
24I94.1Very high95Very high0 Ų032.1 Ų32.10%016%0.161CC..Hα-helixtrans-63.3-46.4177.1-60.7171.8000110.9A16 T18 D20 F21 N22 K26 Y27 L28 P29 I85 I88 V89A16-I24 HydrophobicContact CB-CG1 4.09Å; T18-I24 HydrophobicContact CG2-CD1 4.05Å; T18-I24 HydrophobicContact CG2-CG1 3.47Å; T18-I24 VanDerWaalsContact CG2-CG1 3.47Å; D20-I24 WeakPolarHBondContact O-CG1 3.4Å; D20-I24 PolarHBondContact O-N 3.43Å; F21-I24 PolarHBondContact O-N 2.86Å; N22-I24 VanDerWaalsContact C-N 3.31Å; N22-I24 PolarHBondContact O-N 3.5Å; I24-K26 VanDerWaalsContact C-N 3.26Å; I24-K26 PolarHBondContact O-N 3.36Å; I24-Y27 PolarHBondContact O-N 3.37Å; I24-L28 PolarHBondContact O-N 2.89Å; I24-L28 VanDerWaalsContact O-N 3.13Å; I24-P29 HydrophobicContact CG2-CG 3.88Å; I24-P29 VanDerWaalsContact O-CD 3.23Å; I24-P29 WeakPolarHBondContact O-CD 3.37Å; I24-I85 HydrophobicContact CD1-CB 4.46Å; I24-I85 HydrophobicContact CD1-CD1 4.06Å; I24-I85 HydrophobicContact CD1-CG1 3.64Å; I24-I85 HydrophobicContact CD1-CG2 4.3Å; I24-I88 HydrophobicContact CB-CG2 4.49Å; I24-I88 HydrophobicContact CG2-CB 4.31Å; I24-I88 HydrophobicContact CG2-CG2 3.72Å; I24-V89 HydrophobicContact CG2-CG1 3.6Å
25R94.6Very high94.9Very high118 Ų11832.5 Ų32.545%0.44516%0.163SC..Hα-helixtrans-60.4-33.6177.9-71.8179.6-167.7106.83.3113F21 N22 Y27 L28 I88F21-R25 WeakPolarHBondContact O-CG 3.47Å; F21-R25 PolarHBondContact O-N 2.92Å; N22-R25 PolarHBondContact O-N 3.1Å; N22-R25 PolarHBondContact OD1-NH1 3.3Å; N22-R25 VanDerWaalsContact OD1-NH1 3.11Å; R25-Y27 PolarHBondContact O-N 2.93Å; R25-L28 WeakPolarHBondContact O-CD2 3.49Å; R25-I88 HydrophobicContact CG-CD1 4.05Å; R25-I88 HydrophobicContact CG-CG1 4.2Å; R25-I88 HydrophobicContact CG-CG2 3.73Å
26K93.9Very high94.9Very high123 Ų12332.6 Ų32.654%0.53516%0.163SC..Hα-helixtrans-63.9-38.9-178.6-175.8178.4175.1-168.30112.7N22 S23 I24 E251N22-K26 PolarHBondContact O-N 3.23Å; N22-K26 VanDerWaalsContact O-N 3.1Å; S23-K26 PolarHBondContact O-N 2.99Å; I24-K26 VanDerWaalsContact C-N 3.26Å; I24-K26 PolarHBondContact O-N 3.36Å; K26-E251 IonicContact NZ-OE2 2.89Å; K26-E251 PolarHBondContact NZ-OE2 3.36Å
27Y90.7Very high94.8Very high19 Ų1934.4 Ų34.48%0.07518%0.176CC..Hα-helixtrans-106-9.3-172.2-59.7-71.3000114.7L5 K9 S23 I24 R25 P247 L250 E251L5-Y27 HydrophobicContact CD2-CD1 4.18Å; K9-Y27 PolarHBondContact NZ-O 3.02Å; S23-Y27 VanDerWaalsContact O-CD2 3.27Å; S23-Y27 WeakPolarHBondContact O-CD2 3.31Å; I24-Y27 PolarHBondContact O-N 3.37Å; R25-Y27 PolarHBondContact O-N 2.93Å; Y27-P247 HydrophobicContact CE2-CB 4.29Å; Y27-L250 HydrophobicContact CD1-CB 3.86Å; Y27-L250 HydrophobicContact CD2-CB 3.97Å; Y27-L250 HydrophobicContact CD2-CD1 3.74Å; Y27-L250 HydrophobicContact CE1-CB 3.87Å; Y27-L250 HydrophobicContact CE2-CB 4.01Å; Y27-L250 HydrophobicContact CE2-CD1 4.44Å; Y27-L250 HydrophobicContact CG-CB 3.92Å; Y27-L250 HydrophobicContact CG-CD1 3.84Å; Y27-L250 HydrophobicContact CG-CG 4.44Å; Y27-E251 WeakPolarHBondContact OH-CA 3.37Å; Y27-E251 WeakPolarHBondContact OH-CB 3.49Å; Y27-E251 PolarHBondContact OH-OE2 3.32Å
28L87.9Confident94.9Very high124 Ų12434.8 Ų34.865%0.64918%0.178SC*.  trans44.261.3179.6-60.7175.5000112.1I24 R25I24-L28 PolarHBondContact O-N 2.89Å; I24-L28 VanDerWaalsContact O-N 3.13Å; R25-L28 WeakPolarHBondContact O-CD2 3.49Å
29P93Very high95Very high3 Ų334.1 Ų34.12%0.01917%0.173CC..  trans-69.6164.817637.1-41.1000110.8I14 A16 I24 D31 V89I14-P29 WeakPolarHBondContact O-CB 3.44Å; A16-P29 HydrophobicContact CB-CB 4.11Å; A16-P29 HydrophobicContact CB-CG 3.66Å; I24-P29 HydrophobicContact CG2-CG 3.88Å; I24-P29 VanDerWaalsContact O-CD 3.23Å; I24-P29 WeakPolarHBondContact O-CD 3.37Å; P29-D31 WeakPolarHBondContact CB-O 3.46Å; P29-V89 HydrophobicContact CG-CG1 4.01Å
30V97Very high95.2Very high65 Ų6534.5 Ų34.539%0.39418%0.175SC..SBendtrans-77.2-45.4176.5177.40000111I13 I14 P90 G91I13-V30 HydrophobicContact CG2-CB 3.69Å; I13-V30 HydrophobicContact CG2-CG1 4.07Å; I13-V30 HydrophobicContact CG2-CG2 3.96Å; I14-V30 PolarHBondContact O-N 3.05Å; V30-P90 WeakPolarHBondContact O-CD 3.42Å; V30-G91 VanDerWaalsContact O-CA 3.3Å; V30-G91 WeakPolarHBondContact O-CA 3.37Å; V30-G91 PolarHBondContact O-N 3.42Å
31D97.9Very high95.2Very high8 Ų836.6 Ų36.64%0.04319%0.192CC..EExtended strand (participates in β ladder)trans-122.8173.1178.3-69.30.9000109.7V15 A16 P29 G91 R92V15-D31 WeakPolarHBondContact CA-O 3.45Å; V15-D31 HydrophobicContact CB-CB 4.36Å; V15-D31 HydrophobicContact CG1-CB 3.88Å; V15-D31 WeakPolarHBondContact CG1-O 3.49Å; V15-D31 HydrophobicContact CG2-CB 3.84Å; A16-D31 PolarHBondContact N-O 3.01Å; A16-D31 VanDerWaalsContact N-O 3.12Å; P29-D31 WeakPolarHBondContact CB-O 3.46Å; D31-G91 WeakPolarHBondContact OD1-CA 3.36Å; D31-R92 CarbonylContact C-O 3.56Å; D31-R92 VanDerWaalsContact CA-O 3.24Å; D31-R92 WeakPolarHBondContact CA-O 3.48Å; D31-R92 VanDerWaalsContact CB-O 3.27Å; D31-R92 WeakPolarHBondContact CB-O 3.25Å; D31-R92 VanDerWaalsContact CG-N 3.34Å; D31-R92 PolarHBondContact OD1-N 3.3Å; D31-R92 IonicContact OD2-CZ 2.67Å; D31-R92 IonicContact OD2-NE 2.74Å; D31-R92 PolarHBondContact OD2-NE 3.26Å; D31-R92 IonicContact OD2-NH2 2.95Å; D31-R92 PolarHBondContact OD2-NH2 3.16Å
32S97.8Very high95.3Very high0 Ų036.4 Ų36.40%019%0.192CC..EExtended strand (participates in β ladder)trans-137.5148.3167.1-163.80000111.8A16 I85 R92 V93 S94A16-S32 CarbonylContact O-C 3.54Å; A16-S32 WeakPolarHBondContact O-CA 3.22Å; A16-S32 PolarHBondContact O-OG 2.71Å; S32-I85 VanDerWaalsContact CB-CG2 3.4Å; S32-R92 PolarHBondContact N-O 3.01Å; S32-V93 CarbonylContact O-C 3.54Å; S32-V93 VanDerWaalsContact O-CA 3.28Å; S32-V93 WeakPolarHBondContact O-CA 3.49Å; S32-S94 PolarHBondContact O-N 3.45Å
33T97.1Very high95.4Very high3 Ų332.3 Ų32.32%0.01817%0.171CC..EExtended strand (participates in β ladder)trans-113.9140.5173.3-62.20000110.1A16 T18 K132 M224A16-T33 PolarHBondContact O-N 3.07Å; T18-T33 PolarHBondContact N-O 3.28Å; T33-K132 HydrophobicContact CG2-CD 4.32Å; T33-M224 WeakPolarHBondContact OG1-CE 3.49Å
34T96.4Very high95.5Very high0 Ų038 Ų380%019%0.192CC..  trans-122.3169.1167.968.90000110.1I39 I85 S94 K132T34-I39 HydrophobicContact CG2-CD1 3.92Å; T34-I85 HydrophobicContact CG2-CD1 3.48Å; T34-I85 VanDerWaalsContact CG2-CD1 3.48Å; T34-S94 PolarHBondContact N-O 3.33Å; T34-S94 PolarHBondContact OG1-O 3.01Å; T34-K132 PolarHBondContact O-NZ 3.38Å
35N96.3Very high95.5Very high13 Ų1340.8 Ų40.87%0.0721%0.207CC..  trans-157.3170.1171.863.455.2000108S37 L38 I39 E96 F309N35-S37 VanDerWaalsContact C-N 3.28Å; N35-S37 PolarHBondContact O-N 3.49Å; N35-S37 WeakPolarHBondContact OD1-CA 3.25Å; N35-S37 VanDerWaalsContact OD1-CB 3.25Å; N35-S37 WeakPolarHBondContact OD1-CB 3.43Å; N35-S37 PolarHBondContact OD1-N 3.33Å; N35-L38 WeakPolarHBondContact ND2-CD1 3.47Å; N35-L38 PolarHBondContact O-N 3.46Å; N35-L38 VanDerWaalsContact O-N 3.09Å; N35-L38 PolarHBondContact OD1-N 3.28Å; N35-I39 WeakPolarHBondContact O-CG1 3.33Å; N35-I39 PolarHBondContact O-N 2.93Å; N35-E96 VanDerWaalsContact CB-OE2 3.25Å; N35-E96 WeakPolarHBondContact CB-OE2 3.33Å; N35-F309 HydrophobicContact CB-CE1 4.15Å; N35-F309 HydrophobicContact CB-CZ 4.01Å
36P96.5Very high95.4Very high3 Ų340.2 Ų40.22%0.01922%0.218CC..Hα-helixtrans-54.8-39.3-179-29.336.8000114.5L38 L40 F78 E96 F309 D312P36-L38 PolarHBondContact O-N 2.88Å; P36-L40 WeakPolarHBondContact O-CB 3.33Å; P36-L40 PolarHBondContact O-N 3.35Å; P36-F78 HydrophobicContact CB-CZ 4.09Å; P36-F78 HydrophobicContact CG-CE1 4.19Å; P36-F78 HydrophobicContact CG-CZ 3.95Å; P36-E96 WeakPolarHBondContact CD-OE1 3.49Å; P36-F309 HydrophobicContact CG-CB 4.1Å; P36-F309 HydrophobicContact CG-CG 4.39Å; P36-D312 HydrophobicContact CB-CB 4.08Å
37S96.9Very high95.4Very high39 Ų3939.5 Ų39.527%0.27322%0.217SC..Hα-helixtrans-63.4-42177.9-42.30000112.1N35 S41 D312N35-S37 VanDerWaalsContact C-N 3.28Å; N35-S37 PolarHBondContact O-N 3.49Å; N35-S37 WeakPolarHBondContact OD1-CA 3.25Å; N35-S37 VanDerWaalsContact OD1-CB 3.25Å; N35-S37 WeakPolarHBondContact OD1-CB 3.43Å; N35-S37 PolarHBondContact OD1-N 3.33Å; S37-S41 WeakPolarHBondContact O-CB 3.49Å; S37-S41 PolarHBondContact O-N 3.1Å; S37-D312 VanDerWaalsContact CB-OD2 3.29Å; S37-D312 WeakPolarHBondContact CB-OD2 3.38Å; S37-D312 PolarHBondContact OG-OD2 3.22Å
38L97.3Very high95.6Very high37 Ų3739.2 Ų39.219%0.19422%0.216CC..Hα-helixtrans-70.7-42.9179.7-66.6176.5000112.2D17 N35 P36 S41 A42D17-L38 WeakPolarHBondContact OD1-CD1 3.39Å; N35-L38 WeakPolarHBondContact ND2-CD1 3.47Å; N35-L38 PolarHBondContact O-N 3.46Å; N35-L38 VanDerWaalsContact O-N 3.09Å; N35-L38 PolarHBondContact OD1-N 3.28Å; P36-L38 PolarHBondContact O-N 2.88Å; L38-S41 PolarHBondContact O-N 2.93Å; L38-A42 WeakPolarHBondContact O-CB 3.48Å; L38-A42 PolarHBondContact O-N 2.92Å
39I97.9Very high95.9Very high0 Ų035 Ų350%020%0.196CC..Hα-helixtrans-65.2-44176.1-62.7-57.8000110.2T34 N35 S41 A42 C43 I77 F78 F81 L316T34-I39 HydrophobicContact CG2-CD1 3.92Å; N35-I39 WeakPolarHBondContact O-CG1 3.33Å; N35-I39 PolarHBondContact O-N 2.93Å; I39-S41 VanDerWaalsContact C-N 3.33Å; I39-S41 PolarHBondContact O-N 3.39Å; I39-A42 PolarHBondContact O-N 3.2Å; I39-C43 WeakPolarHBondContact O-CB 3.35Å; I39-C43 PolarHBondContact O-N 2.88Å; I39-C43 PolarHBondContact O-SG 3.05Å; I39-I77 HydrophobicContact CG2-CG2 3.73Å; I39-F78 HydrophobicContact CB-CE2 4.12Å; I39-F78 HydrophobicContact CB-CZ 4.19Å; I39-F78 HydrophobicContact CG1-CD1 4.19Å; I39-F78 HydrophobicContact CG1-CD2 4.39Å; I39-F78 HydrophobicContact CG1-CE1 4.08Å; I39-F78 HydrophobicContact CG1-CE2 4.31Å; I39-F78 HydrophobicContact CG1-CG 4.36Å; I39-F78 HydrophobicContact CG1-CZ 4.17Å; I39-F78 HydrophobicContact CG2-CD2 3.98Å; I39-F78 HydrophobicContact CG2-CE2 3.85Å; I39-F78 HydrophobicContact CG2-CZ 4.43Å; I39-F81 HydrophobicContact CD1-CB 3.67Å; I39-F81 HydrophobicContact CD1-CD1 4.03Å; I39-F81 HydrophobicContact CD1-CD2 4.44Å; I39-F81 HydrophobicContact CD1-CG 3.79Å; I39-F81 HydrophobicContact CG2-CD2 4.43Å; I39-L316 HydrophobicContact CG2-CD2 3.79Å
40L97.2Very high96Very high11 Ų1142 Ų426%0.05823%0.229CC..Hα-helixtrans-57.6-46174.8175.362.9000111.6P36 A42 C43 K44 D312 L315 L316P36-L40 WeakPolarHBondContact O-CB 3.33Å; P36-L40 PolarHBondContact O-N 3.35Å; L40-A42 VanDerWaalsContact C-N 3.32Å; L40-A42 PolarHBondContact O-N 3.38Å; L40-C43 PolarHBondContact O-N 2.99Å; L40-K44 WeakPolarHBondContact O-CG 3.24Å; L40-K44 PolarHBondContact O-N 3.38Å; L40-D312 HydrophobicContact CD2-CB 4.07Å; L40-L315 HydrophobicContact CD1-CB 4.17Å; L40-L315 HydrophobicContact CD2-CB 3.85Å; L40-L315 HydrophobicContact CD2-CD1 3.91Å; L40-L316 HydrophobicContact CD1-CB 4.22Å; L40-L316 HydrophobicContact CD1-CD1 4.45Å
41S96.4Very high96Very high76 Ų7640.1 Ų40.153%0.53122%0.216SC..Hα-helixtrans-61.3-42.1177.2-171.40000111.7S37 L38 I39 K44S37-S41 WeakPolarHBondContact O-CB 3.49Å; S37-S41 PolarHBondContact O-N 3.1Å; L38-S41 PolarHBondContact O-N 2.93Å; I39-S41 VanDerWaalsContact C-N 3.33Å; I39-S41 PolarHBondContact O-N 3.39Å; S41-K44 PolarHBondContact O-N 2.66Å
42A96.3Very high96Very high3 Ų339.9 Ų39.93%0.02522%0.215CC..Hα-helixtrans-69.6-40.4178.900000111.9G19 L38 I39 L40 K44 L45 Y48 F81G19-A42 WeakPolarHBondContact O-CB 3.4Å; L38-A42 WeakPolarHBondContact O-CB 3.48Å; L38-A42 PolarHBondContact O-N 2.92Å; I39-A42 PolarHBondContact O-N 3.2Å; L40-A42 VanDerWaalsContact C-N 3.32Å; L40-A42 PolarHBondContact O-N 3.38Å; A42-K44 PolarHBondContact O-N 3.14Å; A42-K44 VanDerWaalsContact O-N 3.09Å; A42-L45 VanDerWaalsContact O-CB 3.26Å; A42-L45 WeakPolarHBondContact O-CB 3.5Å; A42-L45 PolarHBondContact O-N 2.91Å; A42-Y48 HydrophobicContact CB-CD2 4Å; A42-Y48 HydrophobicContact CB-CE2 4.15Å; A42-Y48 VanDerWaalsContact O-CD2 3.32Å; A42-Y48 WeakPolarHBondContact O-CD2 3.11Å; A42-F81 HydrophobicContact CB-CD1 4.31Å; A42-F81 HydrophobicContact CB-CE1 3.43Å; A42-F81 VanDerWaalsContact CB-CE1 3.43Å; A42-F81 HydrophobicContact CB-CZ 3.85Å
43C95.5Very high95.9Very high8 Ų841.5 Ų41.55%0.05422%0.224CC..Hα-helixtrans-60.8-20.9178.1-71.40000113.8I39 L40 L45 L52 L316 L319I39-C43 WeakPolarHBondContact O-CB 3.35Å; I39-C43 PolarHBondContact O-N 2.88Å; I39-C43 PolarHBondContact O-SG 3.05Å; L40-C43 PolarHBondContact O-N 2.99Å; C43-L45 VanDerWaalsContact C-N 3.3Å; C43-L52 HydrophobicContact CB-CD1 3.98Å; C43-L52 HydrophobicContact CB-CD2 4.15Å; C43-L52 HydrophobicContact CB-CG 4.49Å; C43-L316 HydrophobicContact CB-CD1 3.85Å; C43-L319 HydrophobicContact CB-CD2 4.03Å
44K94Very high95.9Very high144 Ų14444 Ų4463%0.62624%0.242SC*.THydrogen-bonded Turntrans-78.8-11.4174.1-69.5174.1179.9179.60113.5L40 S41 A42L40-K44 WeakPolarHBondContact O-CG 3.24Å; L40-K44 PolarHBondContact O-N 3.38Å; S41-K44 PolarHBondContact O-N 2.66Å; A42-K44 PolarHBondContact O-N 3.14Å; A42-K44 VanDerWaalsContact O-N 3.09Å
45L94.1Very high96Very high60 Ų6044 Ų4431%0.31424%0.242SC..SBendtrans-83.3125.2179.4-62.6174.5000110.4A42 C43 Q47 Y48A42-L45 VanDerWaalsContact O-CB 3.26Å; A42-L45 WeakPolarHBondContact O-CB 3.5Å; A42-L45 PolarHBondContact O-N 2.91Å; C43-L45 VanDerWaalsContact C-N 3.3Å; L45-Q47 HydrophobicContact CB-CG 4.47Å; L45-Q47 PolarHBondContact O-N 2.89Å; L45-Q47 VanDerWaalsContact O-N 3.12Å; L45-Y48 HydrophobicContact CB-CD2 4.06Å; L45-Y48 HydrophobicContact CB-CE2 4.39Å; L45-Y48 HydrophobicContact CD1-CD2 4.2Å; L45-Y48 HydrophobicContact CD1-CE2 3.78Å; L45-Y48 PolarHBondContact O-N 3.38Å
46P93.4Very high96.1Very high106 Ų10643.4 Ų43.469%0.68824%0.238SC*.G310 helixtrans-55.4-34.4-175.3-28.335.3000114.5Y48 S49P46-Y48 PolarHBondContact O-N 3.46Å; P46-Y48 VanDerWaalsContact O-N 3.13Å; P46-S49 WeakPolarHBondContact O-CB 3.33Å; P46-S49 PolarHBondContact O-N 3.34Å; P46-S49 VanDerWaalsContact O-N 3.16Å; P46-S49 PolarHBondContact O-OG 3.13Å
47Q94.7Very high96.1Very high107 Ų10748.2 Ų48.250%0.526%0.26SS..G310 helixtrans-64.8-15.3-179.564.9-91.329.300114.4L45L45-Q47 HydrophobicContact CB-CG 4.47Å; L45-Q47 PolarHBondContact O-N 2.89Å; L45-Q47 VanDerWaalsContact O-N 3.12Å
48Y94.6Very high96.2Very high13 Ų1348.1 Ų48.15%0.05126%0.255CS..G310 helixtrans-104.55.2179.1-56.1-30.5000113.2D20 F21 A42 L45 P46 Q50 L51 F81D20-Y48 PolarHBondContact OD1-OH 2.94Å; F21-Y48 HydrophobicContact CD2-CD1 4.02Å; F21-Y48 AromaticContact CD2-CE1 3.35Å; F21-Y48 HydrophobicContact CD2-CE1 3.35Å; F21-Y48 AromaticContact CD2-CZ 3.71Å; F21-Y48 AromaticContact CE2-CD1 3.76Å; F21-Y48 HydrophobicContact CE2-CD1 3.76Å; F21-Y48 AromaticContact CE2-CE1 3.57Å; F21-Y48 HydrophobicContact CE2-CE1 3.57Å; F21-Y48 HydrophobicContact CE2-CG 4.41Å; F21-Y48 HydrophobicContact CG-CE1 4.22Å; F21-Y48 PolarHBondContact N-OH 3.5Å; A42-Y48 HydrophobicContact CB-CD2 4Å; A42-Y48 HydrophobicContact CB-CE2 4.15Å; A42-Y48 VanDerWaalsContact O-CD2 3.32Å; A42-Y48 WeakPolarHBondContact O-CD2 3.11Å; L45-Y48 HydrophobicContact CB-CD2 4.06Å; L45-Y48 HydrophobicContact CB-CE2 4.39Å; L45-Y48 HydrophobicContact CD1-CD2 4.2Å; L45-Y48 HydrophobicContact CD1-CE2 3.78Å; L45-Y48 PolarHBondContact O-N 3.38Å; P46-Y48 PolarHBondContact O-N 3.46Å; P46-Y48 VanDerWaalsContact O-N 3.13Å; Y48-Q50 PolarHBondContact O-N 2.99Å; Y48-Q50 VanDerWaalsContact O-N 3.15Å; Y48-L51 WeakPolarHBondContact O-CB 3.44Å; Y48-L51 PolarHBondContact O-N 2.66Å; Y48-F81 AromaticContact CD2-CE1 3.81Å; Y48-F81 HydrophobicContact CD2-CE1 3.81Å; Y48-F81 AromaticContact CD2-CZ 3.92Å; Y48-F81 HydrophobicContact CD2-CZ 3.92Å; Y48-F81 HydrophobicContact CE2-CE1 4.3Å; Y48-F81 HydrophobicContact CG-CE1 4.22Å; Y48-F81 HydrophobicContact CG-CZ 4.1Å
49S93.8Very high96.2Very high35 Ų3546.4 Ų46.425%0.24525%0.245CC..Hα-helixtrans-56.6-34.2-178.1740000113.1P46 L51 L52 D53P46-S49 WeakPolarHBondContact O-CB 3.33Å; P46-S49 PolarHBondContact O-N 3.34Å; P46-S49 VanDerWaalsContact O-N 3.16Å; P46-S49 PolarHBondContact O-OG 3.13Å; S49-L51 VanDerWaalsContact C-N 3.27Å; S49-L51 PolarHBondContact O-N 2.96Å; S49-L52 WeakPolarHBondContact O-CB 3.26Å; S49-L52 PolarHBondContact O-N 3.34Å; S49-L52 VanDerWaalsContact O-N 3.17Å; S49-D53 PolarHBondContact O-N 2.93Å
50Q95.6Very high96.1Very high151 Ų15148.9 Ų48.971%0.70626%0.259SS*.Hα-helixtrans-63.6-31.2178.7-68.2-175.1-13.500112.9Y48 D53 S54Y48-Q50 PolarHBondContact O-N 2.99Å; Y48-Q50 VanDerWaalsContact O-N 3.15Å; Q50-D53 PolarHBondContact O-N 2.75Å; Q50-S54 VanDerWaalsContact O-CB 3.32Å; Q50-S54 WeakPolarHBondContact O-CB 3.39Å; Q50-S54 PolarHBondContact O-N 2.62Å
51L97.2Very high96.1Very high25 Ų2556.9 Ų56.913%0.13129%0.293CS..Hα-helixtrans-67.7-40.6175.4-61.3-180000110.8F21 Y48 S49 S54 A55 L80 F81 E84F21-L51 HydrophobicContact CE2-CD1 3.8Å; F21-L51 HydrophobicContact CZ-CD1 3.76Å; Y48-L51 WeakPolarHBondContact O-CB 3.44Å; Y48-L51 PolarHBondContact O-N 2.66Å; S49-L51 VanDerWaalsContact C-N 3.27Å; S49-L51 PolarHBondContact O-N 2.96Å; L51-S54 PolarHBondContact O-N 3.05Å; L51-A55 WeakPolarHBondContact O-CB 3.47Å; L51-A55 PolarHBondContact O-N 2.92Å; L51-L80 HydrophobicContact CD2-CB 4.34Å; L51-L80 VanDerWaalsContact O-CD1 3.28Å; L51-L80 WeakPolarHBondContact O-CD1 3.31Å; L51-F81 HydrophobicContact CB-CE2 4.29Å; L51-F81 HydrophobicContact CD1-CD1 4.49Å; L51-F81 HydrophobicContact CD1-CD2 4.02Å; L51-F81 HydrophobicContact CD1-CE1 4.32Å; L51-F81 HydrophobicContact CD1-CE2 3.88Å; L51-F81 HydrophobicContact CD1-CG 4.33Å; L51-F81 HydrophobicContact CD1-CZ 4.05Å; L51-E84 HydrophobicContact CD1-CG 4.15Å; L51-E84 HydrophobicContact CD2-CG 4.09Å
52L96.3Very high96.1Very high3 Ų358.4 Ų58.42%0.01629%0.292CS..Hα-helixtrans-64.2-47.1175.3-79.264.4000110.6C43 S49 S54 A55 I56 I77 F81 L319C43-L52 HydrophobicContact CB-CD1 3.98Å; C43-L52 HydrophobicContact CB-CD2 4.15Å; C43-L52 HydrophobicContact CB-CG 4.49Å; S49-L52 WeakPolarHBondContact O-CB 3.26Å; S49-L52 PolarHBondContact O-N 3.34Å; S49-L52 VanDerWaalsContact O-N 3.17Å; L52-S54 VanDerWaalsContact C-N 3.32Å; L52-S54 PolarHBondContact O-N 3.18Å; L52-A55 PolarHBondContact O-N 3.23Å; L52-I56 WeakPolarHBondContact O-CB 3.44Å; L52-I56 WeakPolarHBondContact O-CG1 3.32Å; L52-I56 PolarHBondContact O-N 2.79Å; L52-I77 HydrophobicContact CG-CD1 4.08Å; L52-F81 HydrophobicContact CD1-CE2 4.35Å; L52-L319 HydrophobicContact CD2-CD2 3.82Å; L52-L319 HydrophobicContact CD2-CG 4.31Å
53D96.3Very high96.1Very high35 Ų3561.9 Ų61.919%0.18731%0.306CS..Hα-helixtrans-60.3-44178.8-67.5-36.4000111.3S49 Q50 A55 I56 Q57 R323 Q327S49-D53 PolarHBondContact O-N 2.93Å; Q50-D53 PolarHBondContact O-N 2.75Å; D53-A55 PolarHBondContact O-N 2.91Å; D53-I56 PolarHBondContact O-N 3.03Å; D53-Q57 WeakPolarHBondContact O-CB 3.33Å; D53-Q57 VanDerWaalsContact O-CG 3.25Å; D53-Q57 WeakPolarHBondContact O-CG 3.35Å; D53-Q57 PolarHBondContact O-N 3.35Å; D53-R323 VanDerWaalsContact CG-NH2 3.27Å; D53-R323 IonicContact OD1-CZ 2.78Å; D53-R323 VanDerWaalsContact OD1-CZ 3.29Å; D53-R323 IonicContact OD1-NE 3.96Å; D53-R323 PolarHBondContact OD1-NE 3.43Å; D53-R323 IonicContact OD1-NH2 3.14Å; D53-R323 PolarHBondContact OD1-NH2 2.99Å; D53-R323 IonicContact OD2-CZ 3.19Å; D53-R323 IonicContact OD2-NE 3.96Å; D53-R323 IonicContact OD2-NH2 3.35Å; D53-R323 PolarHBondContact OD2-NH2 2.84Å; D53-Q327 PolarHBondContact OD1-NE2 3.23Å
54S97.5Very high96Very high55 Ų5570.4 Ų70.439%0.38535%0.345SS..Hα-helixtrans-63.3-39.8176.9-175.40000112.4Q50 L51 L52 Y58Q50-S54 VanDerWaalsContact O-CB 3.32Å; Q50-S54 WeakPolarHBondContact O-CB 3.39Å; Q50-S54 PolarHBondContact O-N 2.62Å; L51-S54 PolarHBondContact O-N 3.05Å; L52-S54 VanDerWaalsContact C-N 3.32Å; L52-S54 PolarHBondContact O-N 3.18Å; S54-Y58 WeakPolarHBondContact O-CB 3.23Å; S54-Y58 PolarHBondContact O-N 3.31Å
55A98.2Very high96.1Very high0 Ų067 Ų670%034%0.337CS..Hα-helixtrans-67.6-41.9177.400000112.4L51 L52 D53 Y58 A59 R76 I77 L80L51-A55 WeakPolarHBondContact O-CB 3.47Å; L51-A55 PolarHBondContact O-N 2.92Å; L52-A55 PolarHBondContact O-N 3.23Å; D53-A55 PolarHBondContact O-N 2.91Å; A55-Y58 WeakPolarHBondContact O-CB 3.32Å; A55-Y58 PolarHBondContact O-N 2.88Å; A55-A59 WeakPolarHBondContact O-CB 3.45Å; A55-A59 PolarHBondContact O-N 3.01Å; A55-R76 HydrophobicContact CB-CB 3.93Å; A55-R76 HydrophobicContact CB-CG 3.92Å; A55-I77 HydrophobicContact CB-CB 4.46Å; A55-I77 HydrophobicContact CB-CD1 4.36Å; A55-I77 HydrophobicContact CB-CG1 3.47Å; A55-I77 VanDerWaalsContact CB-CG1 3.47Å; A55-L80 HydrophobicContact CB-CD1 3.96Å
56I97.8Very high96.2Very high0 Ų066.9 Ų66.90%034%0.336CS..Hα-helixtrans-62.8-46.9176-72.6166.5000110.6L52 D53 Y58 A59 N60 A73 I320 R323 I324L52-I56 WeakPolarHBondContact O-CB 3.44Å; L52-I56 WeakPolarHBondContact O-CG1 3.32Å; L52-I56 PolarHBondContact O-N 2.79Å; D53-I56 PolarHBondContact O-N 3.03Å; I56-Y58 VanDerWaalsContact C-N 3.29Å; I56-Y58 PolarHBondContact O-N 3.25Å; I56-A59 PolarHBondContact O-N 2.98Å; I56-N60 WeakPolarHBondContact CG2-ND2 3.32Å; I56-N60 WeakPolarHBondContact O-CB 3.32Å; I56-N60 PolarHBondContact O-N 3.49Å; I56-N60 PolarHBondContact O-OD1 3.23Å; I56-A73 HydrophobicContact CG1-CB 4.3Å; I56-I320 HydrophobicContact CD1-CG2 4.37Å; I56-I320 HydrophobicContact CG1-CG2 4.05Å; I56-R323 HydrophobicContact CD1-CB 3.74Å; I56-R323 HydrophobicContact CD1-CG 3.81Å; I56-I324 HydrophobicContact CB-CG1 4.47Å; I56-I324 HydrophobicContact CD1-CG1 4.28Å; I56-I324 HydrophobicContact CG1-CG1 4.16Å; I56-I324 HydrophobicContact CG2-CD1 4.38Å; I56-I324 HydrophobicContact CG2-CG1 3.53Å
57Q97.2Very high96.3Very high104 Ų10468 Ų6849%0.48634%0.336SS..Hα-helixtrans-60.8-39.5177.2-73.6174.814.400112.2D53 K61D53-Q57 WeakPolarHBondContact O-CB 3.33Å; D53-Q57 VanDerWaalsContact O-CG 3.25Å; D53-Q57 WeakPolarHBondContact O-CG 3.35Å; D53-Q57 PolarHBondContact O-N 3.35Å; Q57-K61 WeakPolarHBondContact O-CG 3.46Å; Q57-K61 PolarHBondContact O-N 3.47Å
58Y98.2Very high96.4Very high38 Ų3866.4 Ų66.415%0.14933%0.329CS..Hα-helixtrans-60.6-49.5174.1177.6-92.5000111.2S54 A55 I56 K61 Q62 L72 R76 M118 E121S54-Y58 WeakPolarHBondContact O-CB 3.23Å; S54-Y58 PolarHBondContact O-N 3.31Å; A55-Y58 WeakPolarHBondContact O-CB 3.32Å; A55-Y58 PolarHBondContact O-N 2.88Å; I56-Y58 VanDerWaalsContact C-N 3.29Å; I56-Y58 PolarHBondContact O-N 3.25Å; Y58-K61 PolarHBondContact O-N 3.43Å; Y58-Q62 VanDerWaalsContact CE2-NE2 3.28Å; Y58-Q62 PolarHBondContact OH-NE2 3.02Å; Y58-L72 HydrophobicContact CD1-CD2 4.45Å; Y58-L72 HydrophobicContact CD1-CG 4.4Å; Y58-L72 HydrophobicContact CE1-CD1 4.26Å; Y58-L72 HydrophobicContact CE1-CD2 4.25Å; Y58-L72 HydrophobicContact CE1-CG 4.26Å; Y58-R76 HydrophobicContact CD1-CB 4.13Å; Y58-R76 HydrophobicContact CD1-CG 3.78Å; Y58-R76 HydrophobicContact CE1-CG 4.35Å; Y58-R76 VanDerWaalsContact CE2-CZ 3.44Å; Y58-R76 HydrophobicContact CG-CG 4.04Å; Y58-R76 VanDerWaalsContact CZ-NH1 3.34Å; Y58-R76 PolarHBondContact OH-NH1 3.48Å; Y58-M118 HydrophobicContact CE1-SD 4.23Å; Y58-E121 WeakPolarHBondContact CE2-OE1 3.23Å; Y58-E121 WeakPolarHBondContact CE2-OE2 3.43Å; Y58-E121 PolarHBondContact OH-OE2 3.01Å
59A97.9Very high96.6Very high0 Ų066.8 Ų66.80%033%0.331CS..Hα-helixtrans-66.4-42.5-177.600000113A55 I56 K61 Q62 K63 Q69 L72 A73A55-A59 WeakPolarHBondContact O-CB 3.45Å; A55-A59 PolarHBondContact O-N 3.01Å; I56-A59 PolarHBondContact O-N 2.98Å; A59-K61 PolarHBondContact O-N 3.48Å; A59-Q62 PolarHBondContact O-N 3.17Å; A59-K63 PolarHBondContact O-N 2.91Å; A59-Q69 VanDerWaalsContact CB-O 3.24Å; A59-Q69 WeakPolarHBondContact CB-O 3.28Å; A59-L72 HydrophobicContact CB-CB 4.01Å; A59-L72 HydrophobicContact CB-CD2 4.26Å; A59-L72 HydrophobicContact CB-CG 4.11Å; A59-A73 HydrophobicContact CB-CB 3.79Å
60N95.9Very high96.8Very high53 Ų5365.7 Ų65.728%0.28332%0.322SS..Hα-helixtrans-61.7-27.8178.9-71.2-8.1000113.1I56 Q69I56-N60 WeakPolarHBondContact CG2-ND2 3.32Å; I56-N60 WeakPolarHBondContact O-CB 3.32Å; I56-N60 PolarHBondContact O-N 3.49Å; I56-N60 PolarHBondContact O-OD1 3.23Å; N60-Q69 PolarHBondContact OD1-OE1 2.99Å
61K96.6Very high96.9Very high179 Ų17961.1 Ų61.178%0.77830%0.301SS*.Hα-helixtrans-76.9-24.6175.5-72.2173.7-176.4178.10113.3Q57 Y58 A59Q57-K61 WeakPolarHBondContact O-CG 3.46Å; Q57-K61 PolarHBondContact O-N 3.47Å; Y58-K61 PolarHBondContact O-N 3.43Å; A59-K61 PolarHBondContact O-N 3.48Å
62Q96.4Very high96.9Very high107 Ų10760.3 Ų60.350%0.530%0.297SS..Hα-helixtrans-102.9-25.5-174.4-65.4-163.915.700113.9Y58 A59 L72Y58-Q62 VanDerWaalsContact CE2-NE2 3.28Å; Y58-Q62 PolarHBondContact OH-NE2 3.02Å; A59-Q62 PolarHBondContact O-N 3.17Å; Q62-L72 HydrophobicContact CB-CD2 3.77Å; Q62-L72 HydrophobicContact CG-CD2 4.41Å
63K96.4Very high97Very high77 Ų7760.2 Ų60.234%0.33530%0.296SS..  trans-124.1145.2-172.5-61.9-59.5-171.3174.50111.3A59 E68 Q69 L72A59-K63 PolarHBondContact O-N 2.91Å; K63-E68 HydrophobicContact CB-CB 3.74Å; K63-E68 HydrophobicContact CD-CB 3.88Å; K63-E68 HydrophobicContact CG-CB 3.82Å; K63-Q69 HydrophobicContact CB-CG 3.78Å; K63-Q69 WeakPolarHBondContact O-CG 3.39Å; K63-Q69 PolarHBondContact O-NE2 2.91Å; K63-L72 HydrophobicContact CG-CB 4.29Å; K63-L72 HydrophobicContact CG-CD2 3.71Å
64Q94.1Very high97.1Very high187 Ų18759 Ų5987%0.87429%0.29SS*.  trans-98.2-40.4-175.8-64.4-177.83.800111.9
65T96.2Very high97.2Very high72 Ų7257.1 Ų57.144%0.44228%0.275SS..SBendtrans-84.6145.1-178.471.60000110.8N67 E68 Q69T65-N67 PolarHBondContact O-N 2.97Å; T65-E68 PolarHBondContact N-OE2 3.5Å; T65-E68 PolarHBondContact O-N 3.42Å; T65-E68 WeakPolarHBondContact OG1-CB 3.42Å; T65-E68 VanDerWaalsContact OG1-CD 3.26Å; T65-E68 WeakPolarHBondContact OG1-CG 3.25Å; T65-E68 PolarHBondContact OG1-N 3.31Å; T65-E68 PolarHBondContact OG1-OE2 3.49Å; T65-Q69 WeakPolarHBondContact O-CG 3.17Å; T65-Q69 PolarHBondContact O-N 3.09Å
66L95.7Very high97.2Very high58 Ų5857.7 Ų57.730%0.30428%0.277SS..Hα-helixtrans-56.3-39.3179.3179.460.7000112.1Q69 I70 I324L66-Q69 PolarHBondContact O-N 3.5Å; L66-I70 HydrophobicContact CD1-CD1 4.03Å; L66-I70 HydrophobicContact CD1-CG1 4.31Å; L66-I70 HydrophobicContact CG-CD1 3.86Å; L66-I70 WeakPolarHBondContact O-CD1 3.47Å; L66-I70 VanDerWaalsContact O-CG1 3.24Å; L66-I70 WeakPolarHBondContact O-CG1 3.35Å; L66-I70 PolarHBondContact O-N 3.02Å; L66-I324 HydrophobicContact CD1-CD1 4.15Å; L66-I324 HydrophobicContact CD1-CG2 3.92Å
67N96.7Very high97.2Very high128 Ų12857.7 Ų57.768%0.68428%0.277SS*.Hα-helixtrans-66.6-43.7-179.2-69.3-11.6000112T65 Q69 I70 E71T65-N67 PolarHBondContact O-N 2.97Å; N67-Q69 VanDerWaalsContact C-N 3.33Å; N67-I70 PolarHBondContact O-N 3.39Å; N67-E71 PolarHBondContact O-N 3.19Å
68E97.1Very high97.3Very high75 Ų7553.3 Ų53.335%0.3526%0.256SS..Hα-helixtrans-67.4-34.8176.3-68.8171.8123.800112.2K63 T65 I70 L72K63-E68 HydrophobicContact CB-CB 3.74Å; K63-E68 HydrophobicContact CD-CB 3.88Å; K63-E68 HydrophobicContact CG-CB 3.82Å; T65-E68 PolarHBondContact N-OE2 3.5Å; T65-E68 PolarHBondContact O-N 3.42Å; T65-E68 WeakPolarHBondContact OG1-CB 3.42Å; T65-E68 VanDerWaalsContact OG1-CD 3.26Å; T65-E68 WeakPolarHBondContact OG1-CG 3.25Å; T65-E68 PolarHBondContact OG1-N 3.31Å; T65-E68 PolarHBondContact OG1-OE2 3.49Å; E68-I70 VanDerWaalsContact C-N 3.35Å; E68-L72 VanDerWaalsContact O-CB 3.31Å; E68-L72 WeakPolarHBondContact O-CB 3.43Å; E68-L72 PolarHBondContact O-N 2.95Å
69Q98Very high97.3Very high21 Ų2151.5 Ų51.510%0.09825%0.249CC..Hα-helixtrans-62.8-42.8173.6-72171-16.200111A59 N60 K63 T65 L66 N67 A73 I324A59-Q69 VanDerWaalsContact CB-O 3.24Å; A59-Q69 WeakPolarHBondContact CB-O 3.28Å; N60-Q69 PolarHBondContact OD1-OE1 2.99Å; K63-Q69 HydrophobicContact CB-CG 3.78Å; K63-Q69 WeakPolarHBondContact O-CG 3.39Å; K63-Q69 PolarHBondContact O-NE2 2.91Å; T65-Q69 WeakPolarHBondContact O-CG 3.17Å; T65-Q69 PolarHBondContact O-N 3.09Å; L66-Q69 PolarHBondContact O-N 3.5Å; N67-Q69 VanDerWaalsContact C-N 3.33Å; Q69-A73 WeakPolarHBondContact O-CB 3.32Å; Q69-A73 PolarHBondContact O-N 3.35Å; Q69-I324 HydrophobicContact CB-CD1 4.34Å
70I98.1Very high97.4Very high12 Ų1252.2 Ų52.26%0.06225%0.253CS..Hα-helixtrans-64.8-49.3177.2-69.3162.3000111.1L66 N67 E68 L72 A73 L74 E317 I320 K321 I324L66-I70 HydrophobicContact CD1-CD1 4.03Å; L66-I70 HydrophobicContact CD1-CG1 4.31Å; L66-I70 HydrophobicContact CG-CD1 3.86Å; L66-I70 WeakPolarHBondContact O-CD1 3.47Å; L66-I70 VanDerWaalsContact O-CG1 3.24Å; L66-I70 WeakPolarHBondContact O-CG1 3.35Å; L66-I70 PolarHBondContact O-N 3.02Å; N67-I70 PolarHBondContact O-N 3.39Å; E68-I70 VanDerWaalsContact C-N 3.35Å; I70-L72 PolarHBondContact O-N 2.94Å; I70-A73 PolarHBondContact O-N 3.29Å; I70-L74 WeakPolarHBondContact O-CB 3.44Å; I70-L74 PolarHBondContact O-N 2.84Å; I70-E317 HydrophobicContact CG2-CB 3.59Å; I70-E317 HydrophobicContact CG2-CG 3.57Å; I70-I320 HydrophobicContact CB-CG2 4.48Å; I70-I320 HydrophobicContact CG1-CG2 4.16Å; I70-I320 HydrophobicContact CG2-CG2 4.48Å; I70-K321 HydrophobicContact CD1-CB 3.73Å; I70-K321 HydrophobicContact CD1-CD 4.27Å; I70-K321 HydrophobicContact CD1-CG 3.97Å; I70-K321 HydrophobicContact CG1-CB 4.32Å; I70-I324 HydrophobicContact CG1-CD1 4.1Å
71E97.3Very high97.5Very high55 Ų5549.7 Ų49.726%0.25724%0.239SC..Hα-helixtrans-59.3-47.2179.6-174.3-178.8178.100110.9N67 L74 E75 Y101 K107N67-E71 PolarHBondContact O-N 3.19Å; E71-L74 WeakPolarHBondContact O-CB 3.43Å; E71-L74 PolarHBondContact O-N 3.36Å; E71-E75 PolarHBondContact O-N 3.48Å; E71-Y101 PolarHBondContact OE1-OH 3.13Å; E71-K107 IonicContact OE1-NZ 2.66Å; E71-K107 PolarHBondContact OE1-NZ 3.48Å
72L98.1Very high97.6Very high8 Ų841.1 Ų41.14%0.04220%0.202CC..Hα-helixtrans-70-36.4-179.7-17661000112.6Y58 A59 Q62 K63 E68 I70 E75 R76 M118Y58-L72 HydrophobicContact CD1-CD2 4.45Å; Y58-L72 HydrophobicContact CD1-CG 4.4Å; Y58-L72 HydrophobicContact CE1-CD1 4.26Å; Y58-L72 HydrophobicContact CE1-CD2 4.25Å; Y58-L72 HydrophobicContact CE1-CG 4.26Å; A59-L72 HydrophobicContact CB-CB 4.01Å; A59-L72 HydrophobicContact CB-CD2 4.26Å; A59-L72 HydrophobicContact CB-CG 4.11Å; Q62-L72 HydrophobicContact CB-CD2 3.77Å; Q62-L72 HydrophobicContact CG-CD2 4.41Å; K63-L72 HydrophobicContact CG-CB 4.29Å; K63-L72 HydrophobicContact CG-CD2 3.71Å; E68-L72 VanDerWaalsContact O-CB 3.31Å; E68-L72 WeakPolarHBondContact O-CB 3.43Å; E68-L72 PolarHBondContact O-N 2.95Å; I70-L72 PolarHBondContact O-N 2.94Å; L72-E75 PolarHBondContact O-N 3.39Å; L72-R76 WeakPolarHBondContact O-CB 3.48Å; L72-R76 PolarHBondContact O-N 2.96Å; L72-M118 HydrophobicContact CD1-CE 3.48Å; L72-M118 VanDerWaalsContact CD1-CE 3.48Å
73A98.4Very high97.7Very high0 Ų036.3 Ų36.30%018%0.18CC..Hα-helixtrans-65.8-39.6175.200000111.3I56 A59 Q69 I70 R76 I77 I320I56-A73 HydrophobicContact CG1-CB 4.3Å; A59-A73 HydrophobicContact CB-CB 3.79Å; Q69-A73 WeakPolarHBondContact O-CB 3.32Å; Q69-A73 PolarHBondContact O-N 3.35Å; I70-A73 PolarHBondContact O-N 3.29Å; A73-R76 PolarHBondContact O-N 3.27Å; A73-I77 VanDerWaalsContact O-CG1 3.25Å; A73-I77 WeakPolarHBondContact O-CG1 3.25Å; A73-I77 PolarHBondContact O-N 3.15Å; A73-I320 HydrophobicContact CB-CD1 4.37Å; A73-I320 HydrophobicContact CB-CG2 3.82Å
74L98.4Very high97.8Very high10 Ų1034.9 Ų34.95%0.05218%0.175CC..Hα-helixtrans-58.1-50.8175.5177.967.1000110.9I70 E71 R76 I77 F78 A313 L316 E317 I320I70-L74 WeakPolarHBondContact O-CB 3.44Å; I70-L74 PolarHBondContact O-N 2.84Å; E71-L74 WeakPolarHBondContact O-CB 3.43Å; E71-L74 PolarHBondContact O-N 3.36Å; L74-R76 PolarHBondContact O-N 3.18Å; L74-I77 WeakPolarHBondContact O-CB 3.39Å; L74-I77 PolarHBondContact O-N 3.49Å; L74-F78 HydrophobicContact CD1-CD2 4.39Å; L74-F78 HydrophobicContact CD1-CE2 3.87Å; L74-F78 HydrophobicContact CG-CE2 4.45Å; L74-F78 VanDerWaalsContact O-CD2 3.32Å; L74-F78 WeakPolarHBondContact O-CD2 3.36Å; L74-F78 PolarHBondContact O-N 3.25Å; L74-A313 HydrophobicContact CD2-CB 4.42Å; L74-L316 HydrophobicContact CD1-CB 3.94Å; L74-L316 HydrophobicContact CD1-CD2 3.4Å; L74-L316 HydrophobicContact CD1-CG 3.61Å; L74-E317 HydrophobicContact CD2-CG 4.01Å; L74-I320 HydrophobicContact CB-CD1 3.91Å; L74-I320 HydrophobicContact CD1-CD1 4.23Å
75E98.5Very high98Very high16 Ų1626 Ų268%0.07513%0.133CC..Hα-helixtrans-59.8-46176.2-70.1177179.200111.8E71 L72 I77 F78 V79 R114 L115 M118E71-E75 PolarHBondContact O-N 3.48Å; L72-E75 PolarHBondContact O-N 3.39Å; E75-I77 VanDerWaalsContact C-N 3.3Å; E75-I77 PolarHBondContact O-N 3.05Å; E75-F78 PolarHBondContact O-N 3.15Å; E75-V79 WeakPolarHBondContact O-CG2 3.4Å; E75-V79 PolarHBondContact O-N 2.91Å; E75-R114 IonicContact OE1-CZ 3.18Å; E75-R114 IonicContact OE1-NE 2.64Å; E75-R114 IonicContact OE1-NH2 3.42Å; E75-R114 PolarHBondContact OE1-NH2 3.31Å; E75-R114 IonicContact OE2-CZ 3.31Å; E75-R114 IonicContact OE2-NE 3Å; E75-R114 PolarHBondContact OE2-NE 2.83Å; E75-R114 IonicContact OE2-NH2 3.94Å; E75-R114 PolarHBondContact OE2-NH2 3.44Å; E75-L115 HydrophobicContact CB-CD2 3.87Å; E75-L115 HydrophobicContact CG-CD2 4.24Å; E75-M118 HydrophobicContact CB-CE 4Å
76R98.5Very high98.1Very high12 Ų1222.8 Ų22.85%0.04511%0.113CC..Hα-helixtrans-63.7-34.1179.2-171.163.7171.4-152.3-6.3112.1A55 Y58 L72 A73 L74 V79 L80 M118 E121A55-R76 HydrophobicContact CB-CB 3.93Å; A55-R76 HydrophobicContact CB-CG 3.92Å; Y58-R76 HydrophobicContact CD1-CB 4.13Å; Y58-R76 HydrophobicContact CD1-CG 3.78Å; Y58-R76 HydrophobicContact CE1-CG 4.35Å; Y58-R76 VanDerWaalsContact CE2-CZ 3.44Å; Y58-R76 HydrophobicContact CG-CG 4.04Å; Y58-R76 VanDerWaalsContact CZ-NH1 3.34Å; Y58-R76 PolarHBondContact OH-NH1 3.48Å; L72-R76 WeakPolarHBondContact O-CB 3.48Å; L72-R76 PolarHBondContact O-N 2.96Å; A73-R76 PolarHBondContact O-N 3.27Å; L74-R76 PolarHBondContact O-N 3.18Å; R76-V79 PolarHBondContact O-N 2.82Å; R76-L80 HydrophobicContact CG-CD1 4.22Å; R76-L80 HydrophobicContact CG-CG 4.27Å; R76-L80 WeakPolarHBondContact O-CB 3.35Å; R76-L80 VanDerWaalsContact O-CG 3.25Å; R76-L80 WeakPolarHBondContact O-CG 3.44Å; R76-L80 PolarHBondContact O-N 3.24Å; R76-M118 HydrophobicContact CB-SD 4.14Å; R76-E121 IonicContact CZ-OE1 2.94Å; R76-E121 IonicContact CZ-OE2 3.63Å; R76-E121 IonicContact NH1-OE1 2.63Å; R76-E121 PolarHBondContact NH1-OE1 3.1Å; R76-E121 IonicContact NH1-OE2 3.95Å; R76-E121 PolarHBondContact NH1-OE2 2.92Å; R76-E121 IonicContact NH2-OE1 2.99Å; R76-E121 PolarHBondContact NH2-OE1 2.86Å; R76-E121 IonicContact NH2-OE2 3.13Å
77I98.6Very high98.2Very high0 Ų026.3 Ų26.30%013%0.126CC..Hα-helixtrans-60-49.4173.4-75.5165000110.2I39 L52 A55 A73 L74 E75 V79 L80 F81 L316 I320I39-I77 HydrophobicContact CG2-CG2 3.73Å; L52-I77 HydrophobicContact CG-CD1 4.08Å; A55-I77 HydrophobicContact CB-CB 4.46Å; A55-I77 HydrophobicContact CB-CD1 4.36Å; A55-I77 HydrophobicContact CB-CG1 3.47Å; A55-I77 VanDerWaalsContact CB-CG1 3.47Å; A73-I77 VanDerWaalsContact O-CG1 3.25Å; A73-I77 WeakPolarHBondContact O-CG1 3.25Å; A73-I77 PolarHBondContact O-N 3.15Å; L74-I77 WeakPolarHBondContact O-CB 3.39Å; L74-I77 PolarHBondContact O-N 3.49Å; E75-I77 VanDerWaalsContact C-N 3.3Å; E75-I77 PolarHBondContact O-N 3.05Å; I77-V79 VanDerWaalsContact C-N 3.29Å; I77-V79 PolarHBondContact O-N 3.41Å; I77-L80 PolarHBondContact O-N 2.82Å; I77-F81 HydrophobicContact CG2-CD2 3.82Å; I77-F81 HydrophobicContact CG2-CE2 3.99Å; I77-F81 WeakPolarHBondContact O-CD2 3.32Å; I77-F81 PolarHBondContact O-N 3.09Å; I77-L316 HydrophobicContact CG2-CD2 4.44Å; I77-I320 HydrophobicContact CD1-CD1 3.62Å; I77-I320 HydrophobicContact CD1-CG1 3.68Å
78F98.6Very high98.2Very high11 Ų1121.9 Ų21.95%0.04810%0.102CC..Hα-helixtrans-59.6-42.5179.2-85.2-121.4000111.4P36 I39 L74 E75 G82 T95 E96 Y119 L316P36-F78 HydrophobicContact CB-CZ 4.09Å; P36-F78 HydrophobicContact CG-CE1 4.19Å; P36-F78 HydrophobicContact CG-CZ 3.95Å; I39-F78 HydrophobicContact CB-CE2 4.12Å; I39-F78 HydrophobicContact CB-CZ 4.19Å; I39-F78 HydrophobicContact CG1-CD1 4.19Å; I39-F78 HydrophobicContact CG1-CD2 4.39Å; I39-F78 HydrophobicContact CG1-CE1 4.08Å; I39-F78 HydrophobicContact CG1-CE2 4.31Å; I39-F78 HydrophobicContact CG1-CG 4.36Å; I39-F78 HydrophobicContact CG1-CZ 4.17Å; I39-F78 HydrophobicContact CG2-CD2 3.98Å; I39-F78 HydrophobicContact CG2-CE2 3.85Å; I39-F78 HydrophobicContact CG2-CZ 4.43Å; L74-F78 HydrophobicContact CD1-CD2 4.39Å; L74-F78 HydrophobicContact CD1-CE2 3.87Å; L74-F78 HydrophobicContact CG-CE2 4.45Å; L74-F78 VanDerWaalsContact O-CD2 3.32Å; L74-F78 WeakPolarHBondContact O-CD2 3.36Å; L74-F78 PolarHBondContact O-N 3.25Å; E75-F78 PolarHBondContact O-N 3.15Å; F78-G82 PolarHBondContact O-N 3.28Å; F78-T95 HydrophobicContact CB-CG2 3.93Å; F78-T95 HydrophobicContact CD1-CG2 4.39Å; F78-E96 HydrophobicContact CE1-CB 4.25Å; F78-Y119 PolarHBondContact O-OH 2.71Å; F78-L316 HydrophobicContact CE2-CD2 3.86Å
79V98.7Very high98.2Very high0 Ų018.5 Ų18.50%09%0.086CC..Hα-helixtrans-61.7-50.8175.6175.70000111.2E75 R76 I77 F81 G82 C83 L115 M118 Y119 L122E75-V79 WeakPolarHBondContact O-CG2 3.4Å; E75-V79 PolarHBondContact O-N 2.91Å; R76-V79 PolarHBondContact O-N 2.82Å; I77-V79 VanDerWaalsContact C-N 3.29Å; I77-V79 PolarHBondContact O-N 3.41Å; V79-F81 PolarHBondContact O-N 2.82Å; V79-G82 CarbonylContact O-C 3.59Å; V79-G82 WeakPolarHBondContact O-CA 3.2Å; V79-G82 PolarHBondContact O-N 2.91Å; V79-C83 PolarHBondContact O-N 3.12Å; V79-C83 PolarHBondContact O-SG 3.32Å; V79-C83 VanDerWaalsContact O-SG 3.33Å; V79-L115 HydrophobicContact CG2-CB 4.4Å; V79-L115 HydrophobicContact CG2-CD2 3.7Å; V79-M118 HydrophobicContact CB-CB 4.31Å; V79-M118 HydrophobicContact CG1-CB 3.85Å; V79-M118 HydrophobicContact CG2-CB 3.92Å; V79-M118 HydrophobicContact CG2-SD 4.17Å; V79-Y119 HydrophobicContact CB-CE2 4.35Å; V79-Y119 HydrophobicContact CG1-CD1 3.94Å; V79-Y119 HydrophobicContact CG1-CD2 4.12Å; V79-Y119 HydrophobicContact CG1-CE1 3.97Å; V79-Y119 HydrophobicContact CG1-CE2 4.17Å; V79-Y119 HydrophobicContact CG1-CG 3.99Å; V79-Y119 HydrophobicContact CG2-CD2 4.26Å; V79-Y119 HydrophobicContact CG2-CE2 3.98Å; V79-Y119 WeakPolarHBondContact O-CE1 3.11Å; V79-Y119 PolarHBondContact O-OH 3.44Å; V79-L122 HydrophobicContact CG1-CD1 3.87Å
80L98.7Very high98.2Very high15 Ų1522.1 Ų22.18%0.07911%0.112CC..Hα-helixtrans-60.4-42.7-178.9-73.6177.8000112.4L51 A55 R76 I77 G82 C83 E84 L122L51-L80 HydrophobicContact CD2-CB 4.34Å; L51-L80 VanDerWaalsContact O-CD1 3.28Å; L51-L80 WeakPolarHBondContact O-CD1 3.31Å; A55-L80 HydrophobicContact CB-CD1 3.96Å; R76-L80 HydrophobicContact CG-CD1 4.22Å; R76-L80 HydrophobicContact CG-CG 4.27Å; R76-L80 WeakPolarHBondContact O-CB 3.35Å; R76-L80 VanDerWaalsContact O-CG 3.25Å; R76-L80 WeakPolarHBondContact O-CG 3.44Å; R76-L80 PolarHBondContact O-N 3.24Å; I77-L80 PolarHBondContact O-N 2.82Å; L80-G82 VanDerWaalsContact C-N 3.35Å; L80-C83 WeakPolarHBondContact O-CB 3.45Å; L80-C83 PolarHBondContact O-N 3.05Å; L80-E84 PolarHBondContact O-N 3.39Å; L80-L122 HydrophobicContact CD2-CD1 3.8Å
81F98.5Very high98.2Very high0 Ų022.3 Ų22.30%012%0.117CC..Hα-helixtrans-60.6-45.4172.8-91.9-92.9000111.3G19 F21 I39 A42 Y48 L51 L52 I77 V79 C83 E84 I85G19-F81 WeakPolarHBondContact O-CE1 3.24Å; F21-F81 AromaticContact CE1-CD1 3.61Å; F21-F81 HydrophobicContact CE1-CD1 3.61Å; F21-F81 HydrophobicContact CE1-CE1 4.14Å; F21-F81 HydrophobicContact CE1-CG 4.45Å; F21-F81 HydrophobicContact CE2-CE1 4.44Å; F21-F81 AromaticContact CZ-CD1 3.4Å; F21-F81 HydrophobicContact CZ-CD1 3.4Å; F21-F81 VanDerWaalsContact CZ-CD1 3.4Å; F21-F81 AromaticContact CZ-CE1 3.68Å; F21-F81 HydrophobicContact CZ-CE1 3.68Å; F21-F81 HydrophobicContact CZ-CG 4.12Å; I39-F81 HydrophobicContact CD1-CB 3.67Å; I39-F81 HydrophobicContact CD1-CD1 4.03Å; I39-F81 HydrophobicContact CD1-CD2 4.44Å; I39-F81 HydrophobicContact CD1-CG 3.79Å; I39-F81 HydrophobicContact CG2-CD2 4.43Å; A42-F81 HydrophobicContact CB-CD1 4.31Å; A42-F81 HydrophobicContact CB-CE1 3.43Å; A42-F81 VanDerWaalsContact CB-CE1 3.43Å; A42-F81 HydrophobicContact CB-CZ 3.85Å; Y48-F81 AromaticContact CD2-CE1 3.81Å; Y48-F81 HydrophobicContact CD2-CE1 3.81Å; Y48-F81 AromaticContact CD2-CZ 3.92Å; Y48-F81 HydrophobicContact CD2-CZ 3.92Å; Y48-F81 HydrophobicContact CE2-CE1 4.3Å; Y48-F81 HydrophobicContact CG-CE1 4.22Å; Y48-F81 HydrophobicContact CG-CZ 4.1Å; L51-F81 HydrophobicContact CB-CE2 4.29Å; L51-F81 HydrophobicContact CD1-CD1 4.49Å; L51-F81 HydrophobicContact CD1-CD2 4.02Å; L51-F81 HydrophobicContact CD1-CE1 4.32Å; L51-F81 HydrophobicContact CD1-CE2 3.88Å; L51-F81 HydrophobicContact CD1-CG 4.33Å; L51-F81 HydrophobicContact CD1-CZ 4.05Å; L52-F81 HydrophobicContact CD1-CE2 4.35Å; I77-F81 HydrophobicContact CG2-CD2 3.82Å; I77-F81 HydrophobicContact CG2-CE2 3.99Å; I77-F81 WeakPolarHBondContact O-CD2 3.32Å; I77-F81 PolarHBondContact O-N 3.09Å; V79-F81 PolarHBondContact O-N 2.82Å; F81-C83 VanDerWaalsContact C-N 3.32Å; F81-C83 PolarHBondContact O-N 2.63Å; F81-E84 PolarHBondContact O-N 3.04Å; F81-I85 VanDerWaalsContact O-CG1 3.25Å; F81-I85 WeakPolarHBondContact O-CG1 3.4Å; F81-I85 PolarHBondContact O-N 3.35Å
82G98.5Very high98.3Very high0 Ų021.6 Ų21.60%011%0.112CC..Hα-helixtrans-62.9-36.8175.800000113.2F78 V79 L80 I85 L86 Y119F78-G82 PolarHBondContact O-N 3.28Å; V79-G82 CarbonylContact O-C 3.59Å; V79-G82 WeakPolarHBondContact O-CA 3.2Å; V79-G82 PolarHBondContact O-N 2.91Å; L80-G82 VanDerWaalsContact C-N 3.35Å; G82-I85 WeakPolarHBondContact O-CB 3.38Å; G82-I85 PolarHBondContact O-N 3.42Å; G82-L86 WeakPolarHBondContact O-CB 3.28Å; G82-L86 VanDerWaalsContact O-CG 3.25Å; G82-L86 WeakPolarHBondContact O-CG 3.26Å; G82-L86 PolarHBondContact O-N 2.85Å; G82-Y119 WeakPolarHBondContact CA-OH 3.4Å
83C98.6Very high98.3Very high5 Ų521.2 Ų21.23%0.03411%0.11CC..Hα-helixtrans-61.8-45.5174.6-70.40000111.8V79 L80 F81 I85 L86 K87 Y119 F124V79-C83 PolarHBondContact O-N 3.12Å; V79-C83 PolarHBondContact O-SG 3.32Å; V79-C83 VanDerWaalsContact O-SG 3.33Å; L80-C83 WeakPolarHBondContact O-CB 3.45Å; L80-C83 PolarHBondContact O-N 3.05Å; F81-C83 VanDerWaalsContact C-N 3.32Å; F81-C83 PolarHBondContact O-N 2.63Å; C83-I85 VanDerWaalsContact C-N 3.3Å; C83-I85 PolarHBondContact O-N 2.68Å; C83-L86 PolarHBondContact O-N 3.18Å; C83-K87 WeakPolarHBondContact O-CG 3.32Å; C83-K87 PolarHBondContact O-N 3.13Å; C83-Y119 VanDerWaalsContact SG-CD1 3.57Å; C83-F124 HydrophobicContact CB-CD2 4.01Å; C83-F124 HydrophobicContact CB-CE2 3.59Å; C83-F124 HydrophobicContact CB-CZ 4.26Å; C83-F124 WeakPolarHBondContact O-CZ 3.44Å; C83-F124 VanDerWaalsContact SG-CD2 3.5Å
84E98.1Very high98.3Very high47 Ų4721.3 Ų21.322%0.2211%0.111CC..Hα-helixtrans-63.6-37.1175.8-69.1-51.4133.200112.3F21 L51 L80 F81 K87F21-E84 HydrophobicContact CD1-CB 4.19Å; F21-E84 HydrophobicContact CD2-CB 4.12Å; F21-E84 HydrophobicContact CE1-CB 3.68Å; F21-E84 HydrophobicContact CE2-CB 3.61Å; F21-E84 HydrophobicContact CE2-CG 3.85Å; F21-E84 HydrophobicContact CG-CB 4.41Å; F21-E84 HydrophobicContact CZ-CB 3.38Å; F21-E84 HydrophobicContact CZ-CG 3.89Å; L51-E84 HydrophobicContact CD1-CG 4.15Å; L51-E84 HydrophobicContact CD2-CG 4.09Å; L80-E84 PolarHBondContact O-N 3.39Å; F81-E84 PolarHBondContact O-N 3.04Å; E84-K87 PolarHBondContact O-N 3.1Å; E84-K87 IonicContact OE1-NZ 3.09Å; E84-K87 PolarHBondContact OE1-NZ 3.09Å; E84-K87 IonicContact OE2-NZ 3.41Å; E84-K87 PolarHBondContact OE2-NZ 2.9Å
85I98Very high98.3Very high0 Ų020.9 Ų20.90%011%0.108CC..Hα-helixtrans-63.1-45.2173.1-71.2172.3000111F21 I24 S32 T34 F81 G82 C83 K87 I88 V89 V93F21-I85 HydrophobicContact CD1-CG1 3.92Å; F21-I85 HydrophobicContact CE1-CD1 4.47Å; F21-I85 HydrophobicContact CE1-CG1 3.82Å; I24-I85 HydrophobicContact CD1-CB 4.46Å; I24-I85 HydrophobicContact CD1-CD1 4.06Å; I24-I85 HydrophobicContact CD1-CG1 3.64Å; I24-I85 HydrophobicContact CD1-CG2 4.3Å; S32-I85 VanDerWaalsContact CB-CG2 3.4Å; T34-I85 HydrophobicContact CG2-CD1 3.48Å; T34-I85 VanDerWaalsContact CG2-CD1 3.48Å; F81-I85 VanDerWaalsContact O-CG1 3.25Å; F81-I85 WeakPolarHBondContact O-CG1 3.4Å; F81-I85 PolarHBondContact O-N 3.35Å; G82-I85 WeakPolarHBondContact O-CB 3.38Å; G82-I85 PolarHBondContact O-N 3.42Å; C83-I85 VanDerWaalsContact C-N 3.3Å; C83-I85 PolarHBondContact O-N 2.68Å; I85-K87 PolarHBondContact O-N 3.23Å; I85-I88 WeakPolarHBondContact O-CA 3.29Å; I85-I88 WeakPolarHBondContact O-CB 3.25Å; I85-I88 PolarHBondContact O-N 3.44Å; I85-V89 HydrophobicContact CG2-CG1 4.23Å; I85-V89 HydrophobicContact CG2-CG2 4.03Å; I85-V89 PolarHBondContact O-N 3.14Å; I85-V93 HydrophobicContact CB-CG2 4.21Å; I85-V93 HydrophobicContact CD1-CG2 4.06Å; I85-V93 HydrophobicContact CG2-CB 4Å; I85-V93 HydrophobicContact CG2-CG2 3.77Å
86L98.3Very high98.3Very high6 Ų620.4 Ų20.43%0.03111%0.106CC..Hα-helixtrans-67-20.1-178.9-73177.6000114.1G82 C83 V89 V93 Y119 F124 R128 V129G82-L86 WeakPolarHBondContact O-CB 3.28Å; G82-L86 VanDerWaalsContact O-CG 3.25Å; G82-L86 WeakPolarHBondContact O-CG 3.26Å; G82-L86 PolarHBondContact O-N 2.85Å; C83-L86 PolarHBondContact O-N 3.18Å; L86-V89 HydrophobicContact CD2-CG2 4.27Å; L86-V93 HydrophobicContact CD1-CG1 3.82Å; L86-V93 HydrophobicContact CD2-CB 4Å; L86-V93 HydrophobicContact CD2-CG1 3.86Å; L86-V93 HydrophobicContact CG-CB 4.14Å; L86-V93 HydrophobicContact CG-CG1 3.66Å; L86-Y119 HydrophobicContact CD1-CD1 4.36Å; L86-Y119 HydrophobicContact CD1-CE1 4.26Å; L86-F124 HydrophobicContact CB-CD1 3.64Å; L86-F124 HydrophobicContact CB-CE1 3.43Å; L86-F124 VanDerWaalsContact CB-CE1 3.43Å; L86-F124 HydrophobicContact CB-CZ 4.22Å; L86-F124 HydrophobicContact CD1-CB 4.06Å; L86-F124 HydrophobicContact CD1-CD1 3.59Å; L86-F124 HydrophobicContact CD1-CE1 4.26Å; L86-F124 HydrophobicContact CD1-CG 3.91Å; L86-F124 HydrophobicContact CG-CD1 4.27Å; L86-R128 HydrophobicContact CD1-CB 3.99Å; L86-R128 HydrophobicContact CD2-CB 4.02Å; L86-R128 WeakPolarHBondContact CD2-O 3.31Å; L86-R128 PolarHBondContact O-NH2 3.5Å; L86-V129 HydrophobicContact CD1-CG2 4.19Å
87K97.8Very high98.3Very high131 Ų13120.1 Ų20.157%0.5711%0.105SC*.THydrogen-bonded Turntrans-70.7-19.4168.5-65.9171.9-171.3174.30112.6C83 E84 I85 F124C83-K87 WeakPolarHBondContact O-CG 3.32Å; C83-K87 PolarHBondContact O-N 3.13Å; E84-K87 PolarHBondContact O-N 3.1Å; E84-K87 IonicContact OE1-NZ 3.09Å; E84-K87 PolarHBondContact OE1-NZ 3.09Å; E84-K87 IonicContact OE2-NZ 3.41Å; E84-K87 PolarHBondContact OE2-NZ 2.9Å; I85-K87 PolarHBondContact O-N 3.23Å; K87-F124 HydrophobicContact CG-CZ 3.95Å
88I97.6Very high98.3Very high36 Ų3621.1 Ų21.119%0.18511%0.111CC..THydrogen-bonded Turntrans-103.7-48.7-175.7-57.7161.8000110.8F21 I24 R25 I85F21-I88 HydrophobicContact CB-CD1 3.75Å; F21-I88 HydrophobicContact CG-CD1 4.36Å; I24-I88 HydrophobicContact CB-CG2 4.49Å; I24-I88 HydrophobicContact CG2-CB 4.31Å; I24-I88 HydrophobicContact CG2-CG2 3.72Å; R25-I88 HydrophobicContact CG-CD1 4.05Å; R25-I88 HydrophobicContact CG-CG1 4.2Å; R25-I88 HydrophobicContact CG-CG2 3.73Å; I85-I88 WeakPolarHBondContact O-CA 3.29Å; I85-I88 WeakPolarHBondContact O-CB 3.25Å; I85-I88 PolarHBondContact O-N 3.44Å
89V97.7Very high98.3Very high3 Ų320.7 Ų20.72%0.01811%0.109CC..  trans-87.3138.8-175.3-52.70000111I24 P29 I85 L86 R128I24-V89 HydrophobicContact CG2-CG1 3.6Å; P29-V89 HydrophobicContact CG-CG1 4.01Å; I85-V89 HydrophobicContact CG2-CG1 4.23Å; I85-V89 HydrophobicContact CG2-CG2 4.03Å; I85-V89 PolarHBondContact O-N 3.14Å; L86-V89 HydrophobicContact CD2-CG2 4.27Å; V89-R128 PolarHBondContact O-NH2 3.48Å
90P97.6Very high98.3Very high97 Ų9724.9 Ų24.963%0.6313%0.125SC*.SBendtrans-73.9-27.9-179.929.2-35.2000113.1V30 R128V30-P90 WeakPolarHBondContact O-CD 3.42Å; P90-R128 PolarHBondContact O-NH2 2.94Å
91G98Very high98.3Very high16 Ų1626.1 Ų26.117%0.16513%0.129CC..SBendtrans-95.2-129.1-179.600000112.2V30 D31 R128V30-G91 VanDerWaalsContact O-CA 3.3Å; V30-G91 WeakPolarHBondContact O-CA 3.37Å; V30-G91 PolarHBondContact O-N 3.42Å; D31-G91 WeakPolarHBondContact OD1-CA 3.36Å; G91-R128 PolarHBondContact O-NE 3.42Å; G91-R128 PolarHBondContact O-NH2 3.47Å
92R98.5Very high98.3Very high40 Ų4026.2 Ų26.215%0.15113%0.13CC..  trans-108.9160.4-164.8-58.1167.9-62.7-176.72.1113.3D31 S32 R128 L130D31-R92 CarbonylContact C-O 3.56Å; D31-R92 VanDerWaalsContact CA-O 3.24Å; D31-R92 WeakPolarHBondContact CA-O 3.48Å; D31-R92 VanDerWaalsContact CB-O 3.27Å; D31-R92 WeakPolarHBondContact CB-O 3.25Å; D31-R92 VanDerWaalsContact CG-N 3.34Å; D31-R92 PolarHBondContact OD1-N 3.3Å; D31-R92 IonicContact OD2-CZ 2.67Å; D31-R92 IonicContact OD2-NE 2.74Å; D31-R92 PolarHBondContact OD2-NE 3.26Å; D31-R92 IonicContact OD2-NH2 2.95Å; D31-R92 PolarHBondContact OD2-NH2 3.16Å; S32-R92 PolarHBondContact N-O 3.01Å; R92-R128 WeakPolarHBondContact CA-O 3.19Å; R92-L130 HydrophobicContact CB-CD1 4.47Å; R92-L130 HydrophobicContact CB-CG 4.32Å
93V98.6Very high98.3Very high0 Ų032.2 Ų32.20%016%0.156CC..EExtended strand (participates in β ladder)trans-113.4135.7165.567.60000110.7S32 I85 L86 Y119 R128 V129 L130S32-V93 CarbonylContact O-C 3.54Å; S32-V93 VanDerWaalsContact O-CA 3.28Å; S32-V93 WeakPolarHBondContact O-CA 3.49Å; I85-V93 HydrophobicContact CB-CG2 4.21Å; I85-V93 HydrophobicContact CD1-CG2 4.06Å; I85-V93 HydrophobicContact CG2-CB 4Å; I85-V93 HydrophobicContact CG2-CG2 3.77Å; L86-V93 HydrophobicContact CD1-CG1 3.82Å; L86-V93 HydrophobicContact CD2-CB 4Å; L86-V93 HydrophobicContact CD2-CG1 3.86Å; L86-V93 HydrophobicContact CG-CB 4.14Å; L86-V93 HydrophobicContact CG-CG1 3.66Å; V93-Y119 HydrophobicContact CG1-CE1 4.48Å; V93-R128 PolarHBondContact N-O 2.96Å; V93-V129 HydrophobicContact CG1-CG2 4.45Å; V93-V129 WeakPolarHBondContact O-CA 3.4Å; V93-L130 PolarHBondContact O-N 2.95Å
94S98.7Very high98.3Very high3 Ų335.9 Ų35.92%0.02118%0.175CC..EExtended strand (participates in β ladder)trans-88.2122.5168.1-63.20000111.1S32 T34 L130 N155S32-S94 PolarHBondContact O-N 3.45Å; T34-S94 PolarHBondContact N-O 3.33Å; T34-S94 PolarHBondContact OG1-O 3.01Å; S94-L130 CarbonylContact C-O 3.52Å; S94-L130 VanDerWaalsContact CA-O 3.31Å; S94-L130 WeakPolarHBondContact CA-O 3.46Å; S94-N155 PolarHBondContact OG-ND2 3.02Å
95T98.6Very high98.3Very high0 Ų035.7 Ų35.70%018%0.177CC..EExtended strand (participates in β ladder)trans-121.6123.2-178.2-58.90000109.9F78 L115 Y119 L130 K132F78-T95 HydrophobicContact CB-CG2 3.93Å; F78-T95 HydrophobicContact CD1-CG2 4.39Å; T95-L115 HydrophobicContact CG2-CD1 4.4Å; T95-Y119 HydrophobicContact CG2-CE2 4.22Å; T95-Y119 PolarHBondContact OG1-OH 3.04Å; T95-L130 PolarHBondContact N-O 2.91Å; T95-K132 PolarHBondContact O-N 3.48Å
96E98.2Very high98.4Very high7 Ų740.5 Ų40.53%0.03320%0.2CC..EExtended strand (participates in β ladder)trans-88.7133.9-168.1-156.4166.2130.700112.8N35 P36 F78 K132 F309N35-E96 VanDerWaalsContact CB-OE2 3.25Å; N35-E96 WeakPolarHBondContact CB-OE2 3.33Å; P36-E96 WeakPolarHBondContact CD-OE1 3.49Å; F78-E96 HydrophobicContact CE1-CB 4.25Å; E96-K132 WeakPolarHBondContact CA-O 3.25Å; E96-K132 HydrophobicContact CB-CB 4.23Å; E96-K132 HydrophobicContact CB-CD 4.35Å; E96-K132 HydrophobicContact CG-CB 4.26Å; E96-K132 HydrophobicContact CG-CD 4.27Å; E96-K132 HydrophobicContact CG-CG 4.16Å; E96-K132 WeakPolarHBondContact OE2-CD 3.28Å; E96-K132 WeakPolarHBondContact OE2-CE 3.34Å; E96-K132 IonicContact OE2-NZ 3.22Å; E96-K132 PolarHBondContact OE2-NZ 3.34Å; E96-F309 WeakPolarHBondContact OE1-CD2 3.48Å; E96-F309 WeakPolarHBondContact OE1-CE2 3.29Å
97V98.7Very high98.4Very high5 Ų542.4 Ų42.43%0.0321%0.208CC..PPolyproline II helixtrans-74.1143.9164.7173.40000108.6A99 Y101 Q108 V111 A112 L115 I131 K132 L133V97-A99 PolarHBondContact O-N 2.7Å; V97-A99 VanDerWaalsContact O-N 3.15Å; V97-Y101 HydrophobicContact CG1-CD2 4.29Å; V97-Q108 HydrophobicContact CG1-CG 4.19Å; V97-V111 HydrophobicContact CB-CG1 4.44Å; V97-V111 HydrophobicContact CG1-CB 4Å; V97-V111 HydrophobicContact CG1-CG1 3.86Å; V97-V111 HydrophobicContact CG2-CG1 4.17Å; V97-A112 HydrophobicContact CG2-CB 4.3Å; V97-L115 HydrophobicContact CG2-CD1 4.11Å; V97-I131 HydrophobicContact CG2-CG2 3.77Å; V97-K132 PolarHBondContact N-O 2.97Å; V97-L133 HydrophobicContact CB-CD2 3.62Å; V97-L133 HydrophobicContact CG1-CD2 4.27Å; V97-L133 HydrophobicContact CG2-CD2 3.49Å; V97-L133 VanDerWaalsContact CG2-CD2 3.49Å
98D98.4Very high98.5Very high22 Ų2236.3 Ų36.312%0.11818%0.181CC..PPolyproline II helixtrans-50.8122.6179.8-167.2-44.7000112.5R100 Y101D98-R100 PolarHBondContact O-N 2.72Å; D98-R100 VanDerWaalsContact O-N 3.09Å; D98-R100 VanDerWaalsContact OD1-CB 3.23Å; D98-R100 WeakPolarHBondContact OD1-CB 3.43Å; D98-R100 VanDerWaalsContact OD1-CG 3.26Å; D98-R100 WeakPolarHBondContact OD1-CG 3.32Å; D98-R100 PolarHBondContact OD1-N 2.82Å; D98-R100 IonicContact OD1-NE 2.71Å; D98-R100 PolarHBondContact OD1-NE 2.84Å; D98-R100 VanDerWaalsContact OD1-NE 3.13Å; D98-R100 IonicContact OD2-CZ 3.1Å; D98-R100 IonicContact OD2-NE 3.88Å; D98-R100 PolarHBondContact OD2-NE 2.9Å; D98-R100 IonicContact OD2-NH2 3.29Å; D98-R100 PolarHBondContact OD2-NH2 3.12Å; D98-Y101 HydrophobicContact CB-CD2 3.75Å; D98-Y101 HydrophobicContact CB-CE2 3.83Å; D98-Y101 WeakPolarHBondContact O-CB 3.32Å; D98-Y101 PolarHBondContact O-N 3.04Å
99A98.3Very high98.5Very high1 Ų134.6 Ų34.61%0.00817%0.173CC..G310 helixtrans-60.2-22.2-177.500000113.2V97 Y101 S102 I306 F309V97-A99 PolarHBondContact O-N 2.7Å; V97-A99 VanDerWaalsContact O-N 3.15Å; A99-Y101 PolarHBondContact O-N 3.16Å; A99-S102 VanDerWaalsContact O-CB 3.25Å; A99-S102 WeakPolarHBondContact O-CB 2.95Å; A99-S102 PolarHBondContact O-N 3.46Å; A99-S102 PolarHBondContact O-OG 3.41Å; A99-I306 HydrophobicContact CB-CG2 4.36Å; A99-F309 HydrophobicContact CB-CB 3.69Å
100R98.4Very high98.6Very high88 Ų8838.7 Ų38.733%0.33219%0.191SC..G310 helixtrans-60.7-22.1173.1-64.3176.1-67.3179.56.9112.3D98 A310 E317D98-R100 PolarHBondContact O-N 2.72Å; D98-R100 VanDerWaalsContact O-N 3.09Å; D98-R100 VanDerWaalsContact OD1-CB 3.23Å; D98-R100 WeakPolarHBondContact OD1-CB 3.43Å; D98-R100 VanDerWaalsContact OD1-CG 3.26Å; D98-R100 WeakPolarHBondContact OD1-CG 3.32Å; D98-R100 PolarHBondContact OD1-N 2.82Å; D98-R100 IonicContact OD1-NE 2.71Å; D98-R100 PolarHBondContact OD1-NE 2.84Å; D98-R100 VanDerWaalsContact OD1-NE 3.13Å; D98-R100 IonicContact OD2-CZ 3.1Å; D98-R100 IonicContact OD2-NE 3.88Å; D98-R100 PolarHBondContact OD2-NE 2.9Å; D98-R100 IonicContact OD2-NH2 3.29Å; D98-R100 PolarHBondContact OD2-NH2 3.12Å; R100-A310 HydrophobicContact CG-CB 3.7Å; R100-E317 IonicContact CZ-OE1 2.89Å; R100-E317 IonicContact CZ-OE2 3.62Å; R100-E317 IonicContact NH1-OE1 2.75Å; R100-E317 PolarHBondContact NH1-OE1 3.38Å; R100-E317 VanDerWaalsContact NH1-OE1 3.14Å; R100-E317 IonicContact NH1-OE2 3.62Å; R100-E317 PolarHBondContact NH1-OE2 3.43Å; R100-E317 VanDerWaalsContact NH1-OE2 3.1Å; R100-E317 IonicContact NH2-OE1 2.65Å; R100-E317 PolarHBondContact NH2-OE1 3.1Å; R100-E317 IonicContact NH2-OE2 2.82Å
101Y98.6Very high98.6Very high41 Ų4134.2 Ų34.216%0.16116%0.162CC..G310 helixtrans-924176.9-53.3-39.7000113.9E71 V97 D98 A99 F103 N104 K107 Q108 V111E71-Y101 PolarHBondContact OE1-OH 3.13Å; V97-Y101 HydrophobicContact CG1-CD2 4.29Å; D98-Y101 HydrophobicContact CB-CD2 3.75Å; D98-Y101 HydrophobicContact CB-CE2 3.83Å; D98-Y101 WeakPolarHBondContact O-CB 3.32Å; D98-Y101 PolarHBondContact O-N 3.04Å; A99-Y101 PolarHBondContact O-N 3.16Å; Y101-F103 PolarHBondContact O-N 3.47Å; Y101-N104 PolarHBondContact O-N 3.18Å; Y101-K107 HydrophobicContact CD1-CG 3.59Å; Y101-K107 HydrophobicContact CD2-CG 3.85Å; Y101-K107 HydrophobicContact CE1-CD 4.39Å; Y101-K107 HydrophobicContact CE1-CG 3.89Å; Y101-K107 HydrophobicContact CE2-CD 4.43Å; Y101-K107 HydrophobicContact CE2-CG 4.13Å; Y101-K107 HydrophobicContact CG-CB 4.48Å; Y101-K107 HydrophobicContact CG-CG 3.57Å; Y101-K107 WeakPolarHBondContact OH-CE 3.45Å; Y101-Q108 VanDerWaalsContact O-CD 3.27Å; Y101-Q108 VanDerWaalsContact O-CG 3.24Å; Y101-Q108 WeakPolarHBondContact O-CG 3.25Å; Y101-Q108 PolarHBondContact O-NE2 3.1Å; Y101-V111 HydrophobicContact CD2-CG2 3.86Å; Y101-V111 HydrophobicContact CE2-CG2 3.84Å
102S98.8Very high98.7Very high2 Ų233.4 Ų33.41%0.01415%0.154CC..THydrogen-bonded Turntrans-55.9-19.7-174.4-61.40000114.9A99 Q108 S134 T136A99-S102 VanDerWaalsContact O-CB 3.25Å; A99-S102 WeakPolarHBondContact O-CB 2.95Å; A99-S102 PolarHBondContact O-N 3.46Å; A99-S102 PolarHBondContact O-OG 3.41Å; S102-Q108 PolarHBondContact O-NE2 3.38Å; S102-S134 WeakPolarHBondContact OG-CB 3.34Å; S102-S134 PolarHBondContact OG-OG 2.8Å; S102-T136 PolarHBondContact O-OG1 3.09Å
103F98.7Very high98.7Very high127 Ų12733.2 Ų33.256%0.55716%0.159SC*.THydrogen-bonded Turntrans-109.212.9179.2-51.1-66.4000113.5Y101 T136 I306Y101-F103 PolarHBondContact O-N 3.47Å; F103-T136 HydrophobicContact CD1-CG2 4.07Å; F103-T136 HydrophobicContact CE1-CG2 3.61Å; F103-T136 HydrophobicContact CZ-CG2 4.34Å; F103-I306 HydrophobicContact CE1-CD1 4.22Å; F103-I306 HydrophobicContact CE2-CD1 4.27Å; F103-I306 HydrophobicContact CE2-CG2 4.49Å; F103-I306 HydrophobicContact CZ-CD1 3.65Å
104N98.8Very high98.7Very high81 Ų8136.9 Ų36.943%0.43317%0.172SC..  trans-125.3103.8177.8-173.6-36.3000109.5Y101 Q106 K107 Q108Y101-N104 PolarHBondContact O-N 3.18Å; N104-Q106 PolarHBondContact O-N 2.96Å; N104-Q106 PolarHBondContact OD1-N 3.37Å; N104-K107 HydrophobicContact CB-CB 4.04Å; N104-K107 WeakPolarHBondContact OD1-CB 3.46Å; N104-K107 PolarHBondContact OD1-N 3Å; N104-Q108 VanDerWaalsContact O-CG 3.32Å; N104-Q108 WeakPolarHBondContact O-CG 3.48Å; N104-Q108 PolarHBondContact O-N 3.41Å; N104-Q108 VanDerWaalsContact O-N 3.13Å; N104-Q108 PolarHBondContact O-NE2 2.98Å; N104-Q108 VanDerWaalsContact O-NE2 3.14Å
105V98.9Very high98.7Very high43 Ų4336.9 Ų36.926%0.26117%0.172SC..Hα-helixtrans-57.7-52.4-177.7179.80000110.8Q108 V109 E138 K141 A142 I145V105-Q108 PolarHBondContact O-N 2.95Å; V105-V109 WeakPolarHBondContact O-CG2 3.44Å; V105-V109 PolarHBondContact O-N 2.78Å; V105-V109 VanDerWaalsContact O-N 3.09Å; V105-E138 HydrophobicContact CG2-CB 3.73Å; V105-E138 HydrophobicContact CG2-CG 4.1Å; V105-K141 HydrophobicContact CG1-CB 4.28Å; V105-K141 HydrophobicContact CG2-CB 4.12Å; V105-A142 HydrophobicContact CG1-CB 4.21Å; V105-I145 HydrophobicContact CG1-CD1 3.76Å
106Q98.8Very high98.7Very high102 Ų10237.2 Ų37.248%0.47717%0.174SC..Hα-helixtrans-67.6-43.2-171.9-176.95629.700111.9N104 Q108 V109 E110N104-Q106 PolarHBondContact O-N 2.96Å; N104-Q106 PolarHBondContact OD1-N 3.37Å; Q106-Q108 VanDerWaalsContact C-N 3.33Å; Q106-Q108 PolarHBondContact O-N 3.09Å; Q106-V109 PolarHBondContact O-N 2.97Å; Q106-E110 WeakPolarHBondContact CG-OE1 3.39Å; Q106-E110 PolarHBondContact NE2-OE1 3.06Å; Q106-E110 WeakPolarHBondContact O-CG 3.48Å; Q106-E110 PolarHBondContact O-N 3.01Å
107K98.8Very high98.7Very high46 Ų4640.2 Ų40.220%0.220%0.196CC..Hα-helixtrans-64.1-37.3176.8-176.866177.6-173.80111.7E71 Y101 N104 E110 V111E71-K107 IonicContact OE1-NZ 2.66Å; E71-K107 PolarHBondContact OE1-NZ 3.48Å; Y101-K107 HydrophobicContact CD1-CG 3.59Å; Y101-K107 HydrophobicContact CD2-CG 3.85Å; Y101-K107 HydrophobicContact CE1-CD 4.39Å; Y101-K107 HydrophobicContact CE1-CG 3.89Å; Y101-K107 HydrophobicContact CE2-CD 4.43Å; Y101-K107 HydrophobicContact CE2-CG 4.13Å; Y101-K107 HydrophobicContact CG-CB 4.48Å; Y101-K107 HydrophobicContact CG-CG 3.57Å; Y101-K107 WeakPolarHBondContact OH-CE 3.45Å; N104-K107 HydrophobicContact CB-CB 4.04Å; N104-K107 WeakPolarHBondContact OD1-CB 3.46Å; N104-K107 PolarHBondContact OD1-N 3Å; K107-E110 PolarHBondContact O-N 3.15Å; K107-V111 HydrophobicContact CD-CG2 4.11Å; K107-V111 HydrophobicContact CG-CG2 4.27Å; K107-V111 WeakPolarHBondContact O-CB 3.48Å; K107-V111 WeakPolarHBondContact O-CG2 3.31Å; K107-V111 PolarHBondContact O-N 2.54Å
108Q98.9Very high98.7Very high2 Ų240.2 Ų40.21%0.00920%0.195CC..Hα-helixtrans-62.2-45174.1-75.9175.897.800111.8V97 Y101 S102 N104 V105 Q106 V111 A112 L133 A142V97-Q108 HydrophobicContact CG1-CG 4.19Å; Y101-Q108 VanDerWaalsContact O-CD 3.27Å; Y101-Q108 VanDerWaalsContact O-CG 3.24Å; Y101-Q108 WeakPolarHBondContact O-CG 3.25Å; Y101-Q108 PolarHBondContact O-NE2 3.1Å; S102-Q108 PolarHBondContact O-NE2 3.38Å; N104-Q108 VanDerWaalsContact O-CG 3.32Å; N104-Q108 WeakPolarHBondContact O-CG 3.48Å; N104-Q108 PolarHBondContact O-N 3.41Å; N104-Q108 VanDerWaalsContact O-N 3.13Å; N104-Q108 PolarHBondContact O-NE2 2.98Å; N104-Q108 VanDerWaalsContact O-NE2 3.14Å; V105-Q108 PolarHBondContact O-N 2.95Å; Q106-Q108 VanDerWaalsContact C-N 3.33Å; Q106-Q108 PolarHBondContact O-N 3.09Å; Q108-V111 PolarHBondContact O-N 2.86Å; Q108-A112 WeakPolarHBondContact O-CB 3.43Å; Q108-A112 PolarHBondContact O-N 2.93Å; Q108-L133 HydrophobicContact CB-CD2 4.26Å; Q108-L133 HydrophobicContact CG-CD2 4.36Å; Q108-A142 HydrophobicContact CB-CB 3.79Å
109V98.9Very high98.8Very high1 Ų139.2 Ų39.21%0.00619%0.19CC..Hα-helixtrans-61.9-46.4176.6175.10000111V105 Q106 V111 A112 C113 A142 I145 L146 Y150V105-V109 WeakPolarHBondContact O-CG2 3.44Å; V105-V109 PolarHBondContact O-N 2.78Å; V105-V109 VanDerWaalsContact O-N 3.09Å; Q106-V109 PolarHBondContact O-N 2.97Å; V109-V111 PolarHBondContact O-N 3.37Å; V109-A112 PolarHBondContact O-N 3.24Å; V109-C113 PolarHBondContact O-N 3.22Å; V109-C113 PolarHBondContact O-SG 3.37Å; V109-C113 VanDerWaalsContact O-SG 3.34Å; V109-A142 HydrophobicContact CG2-CB 4.01Å; V109-I145 HydrophobicContact CG1-CG2 4.06Å; V109-I145 HydrophobicContact CG2-CB 4.1Å; V109-I145 HydrophobicContact CG2-CD1 4.35Å; V109-I145 HydrophobicContact CG2-CG2 3.9Å; V109-L146 HydrophobicContact CG1-CD2 4.1Å; V109-L146 HydrophobicContact CG2-CG 4.3Å; V109-Y150 HydrophobicContact CG1-CD2 4.37Å; V109-Y150 HydrophobicContact CG1-CE2 3.7Å
110E98.8Very high98.8Very high89 Ų8944 Ų4442%0.41621%0.212SC..Hα-helixtrans-61.2-44.6178.7-73.8169.7-169.600113Q106 K107 R114Q106-E110 WeakPolarHBondContact CG-OE1 3.39Å; Q106-E110 PolarHBondContact NE2-OE1 3.06Å; Q106-E110 WeakPolarHBondContact O-CG 3.48Å; Q106-E110 PolarHBondContact O-N 3.01Å; K107-E110 PolarHBondContact O-N 3.15Å; E110-R114 WeakPolarHBondContact O-CB 3.4Å; E110-R114 PolarHBondContact O-N 2.65Å; E110-R114 VanDerWaalsContact O-N 3.1Å; E110-R114 PolarHBondContact O-NH1 3.26Å
111V98.8Very high98.8Very high2 Ų245 Ų451%0.01222%0.22CC..Hα-helixtrans-65.7-46.3177.3176.30000109.9V97 Y101 K107 Q108 V109 C113 R114 L115V97-V111 HydrophobicContact CB-CG1 4.44Å; V97-V111 HydrophobicContact CG1-CB 4Å; V97-V111 HydrophobicContact CG1-CG1 3.86Å; V97-V111 HydrophobicContact CG2-CG1 4.17Å; Y101-V111 HydrophobicContact CD2-CG2 3.86Å; Y101-V111 HydrophobicContact CE2-CG2 3.84Å; K107-V111 HydrophobicContact CD-CG2 4.11Å; K107-V111 HydrophobicContact CG-CG2 4.27Å; K107-V111 WeakPolarHBondContact O-CB 3.48Å; K107-V111 WeakPolarHBondContact O-CG2 3.31Å; K107-V111 PolarHBondContact O-N 2.54Å; Q108-V111 PolarHBondContact O-N 2.86Å; V109-V111 PolarHBondContact O-N 3.37Å; V111-C113 PolarHBondContact O-N 2.99Å; V111-R114 VanDerWaalsContact CG2-NH2 3.26Å; V111-R114 PolarHBondContact O-N 3.45Å; V111-R114 VanDerWaalsContact O-N 3.12Å; V111-L115 HydrophobicContact CG1-CD1 4.16Å; V111-L115 HydrophobicContact CG1-CG 4.22Å; V111-L115 WeakPolarHBondContact O-CG 3.42Å; V111-L115 PolarHBondContact O-N 3.18Å
112A98.9Very high98.8Very high0 Ų045.9 Ų45.90%023%0.228CC..Hα-helixtrans-56.1-48.9177.900000112.7V97 Q108 V109 R114 L115 I116 I131 L146V97-A112 HydrophobicContact CG2-CB 4.3Å; Q108-A112 WeakPolarHBondContact O-CB 3.43Å; Q108-A112 PolarHBondContact O-N 2.93Å; V109-A112 PolarHBondContact O-N 3.24Å; A112-R114 VanDerWaalsContact C-N 3.29Å; A112-R114 PolarHBondContact O-N 2.89Å; A112-L115 PolarHBondContact O-N 3.41Å; A112-I116 WeakPolarHBondContact O-CG1 3.3Å; A112-I116 PolarHBondContact O-N 2.87Å; A112-I131 HydrophobicContact CB-CB 4.45Å; A112-I131 HydrophobicContact CB-CG1 4.18Å; A112-I131 HydrophobicContact CB-CG2 3.65Å; A112-L146 HydrophobicContact CB-CD1 3.56Å; A112-L146 HydrophobicContact CB-CD2 3.58Å; A112-L146 HydrophobicContact CB-CG 4.23Å
113C98.9Very high98.8Very high36 Ų3649 Ų4924%0.24326%0.261CS..Hα-helixtrans-61.4-38.4176.5-69.40000112V109 V111 I116 S117V109-C113 PolarHBondContact O-N 3.22Å; V109-C113 PolarHBondContact O-SG 3.37Å; V109-C113 VanDerWaalsContact O-SG 3.34Å; V111-C113 PolarHBondContact O-N 2.99Å; C113-I116 PolarHBondContact O-N 2.87Å; C113-S117 WeakPolarHBondContact O-CB 3.49Å; C113-S117 PolarHBondContact O-N 2.99Å
114R98.6Very high98.8Very high77 Ų7744.6 Ų44.629%0.29124%0.241SC..Hα-helixtrans-67.9-40.3176.8-175.6169.657.4-95.71.5112.3E75 E110 V111 A112 S117 M118E75-R114 IonicContact OE1-CZ 3.18Å; E75-R114 IonicContact OE1-NE 2.64Å; E75-R114 IonicContact OE1-NH2 3.42Å; E75-R114 PolarHBondContact OE1-NH2 3.31Å; E75-R114 IonicContact OE2-CZ 3.31Å; E75-R114 IonicContact OE2-NE 3Å; E75-R114 PolarHBondContact OE2-NE 2.83Å; E75-R114 IonicContact OE2-NH2 3.94Å; E75-R114 PolarHBondContact OE2-NH2 3.44Å; E110-R114 WeakPolarHBondContact O-CB 3.4Å; E110-R114 PolarHBondContact O-N 2.65Å; E110-R114 VanDerWaalsContact O-N 3.1Å; E110-R114 PolarHBondContact O-NH1 3.26Å; V111-R114 VanDerWaalsContact CG2-NH2 3.26Å; V111-R114 PolarHBondContact O-N 3.45Å; V111-R114 VanDerWaalsContact O-N 3.12Å; A112-R114 VanDerWaalsContact C-N 3.29Å; A112-R114 PolarHBondContact O-N 2.89Å; R114-S117 PolarHBondContact O-N 2.93Å; R114-M118 HydrophobicContact CG-CE 3.74Å; R114-M118 WeakPolarHBondContact O-CG 3.42Å; R114-M118 PolarHBondContact O-N 3.44Å
115L98.9Very high98.7Very high2 Ų243.6 Ų43.61%0.0124%0.241CC..Hα-helixtrans-60.1-47173.7-67.5175.4000111E75 V79 T95 V97 V111 A112 S117 M118 Y119 I131E75-L115 HydrophobicContact CB-CD2 3.87Å; E75-L115 HydrophobicContact CG-CD2 4.24Å; V79-L115 HydrophobicContact CG2-CB 4.4Å; V79-L115 HydrophobicContact CG2-CD2 3.7Å; T95-L115 HydrophobicContact CG2-CD1 4.4Å; V97-L115 HydrophobicContact CG2-CD1 4.11Å; V111-L115 HydrophobicContact CG1-CD1 4.16Å; V111-L115 HydrophobicContact CG1-CG 4.22Å; V111-L115 WeakPolarHBondContact O-CG 3.42Å; V111-L115 PolarHBondContact O-N 3.18Å; A112-L115 PolarHBondContact O-N 3.41Å; L115-S117 VanDerWaalsContact C-N 3.35Å; L115-S117 PolarHBondContact O-N 2.81Å; L115-M118 PolarHBondContact O-N 3.03Å; L115-Y119 VanDerWaalsContact O-CD2 3.24Å; L115-Y119 WeakPolarHBondContact O-CD2 3.32Å; L115-Y119 PolarHBondContact O-N 3.08Å; L115-I131 HydrophobicContact CB-CD1 4.04Å; L115-I131 HydrophobicContact CD1-CD1 4.12Å
116I98.9Very high98.7Very high7 Ų744.3 Ų44.34%0.03624%0.241CC..Hα-helixtrans-59.9-44.6176-68.7-56.3000111.5A112 C113 M118 Y119 E120 K126 V129 I131 I152A112-I116 WeakPolarHBondContact O-CG1 3.3Å; A112-I116 PolarHBondContact O-N 2.87Å; C113-I116 PolarHBondContact O-N 2.87Å; I116-M118 VanDerWaalsContact C-N 3.27Å; I116-M118 PolarHBondContact O-N 3.29Å; I116-Y119 WeakPolarHBondContact O-CB 3.4Å; I116-Y119 PolarHBondContact O-N 3.22Å; I116-E120 HydrophobicContact CG2-CG 4.38Å; I116-E120 WeakPolarHBondContact O-CG 3.22Å; I116-E120 PolarHBondContact O-N 2.75Å; I116-K126 HydrophobicContact CD1-CB 3.97Å; I116-K126 HydrophobicContact CG1-CB 4.45Å; I116-K126 HydrophobicContact CG2-CB 3.54Å; I116-K126 HydrophobicContact CG2-CD 4.47Å; I116-V129 HydrophobicContact CD1-CB 3.86Å; I116-V129 HydrophobicContact CD1-CG1 3.87Å; I116-V129 HydrophobicContact CD1-CG2 4.47Å; I116-I131 HydrophobicContact CD1-CD1 3.99Å; I116-I131 HydrophobicContact CD1-CG1 4.09Å; I116-I131 HydrophobicContact CG1-CD1 4.11Å; I116-I131 HydrophobicContact CG1-CG1 4.13Å; I116-I152 HydrophobicContact CB-CD1 4.33Å; I116-I152 HydrophobicContact CD1-CG2 4.38Å; I116-I152 HydrophobicContact CG1-CD1 3.87Å; I116-I152 HydrophobicContact CG1-CG1 4.07Å; I116-I152 HydrophobicContact CG1-CG2 4.01Å
117S98.7Very high98.7Very high71 Ų7144 Ų4450%0.49724%0.239SC..Hα-helixtrans-58.4-38.9176.4179.30000112.5C113 R114 L115 E120 E121C113-S117 WeakPolarHBondContact O-CB 3.49Å; C113-S117 PolarHBondContact O-N 2.99Å; R114-S117 PolarHBondContact O-N 2.93Å; L115-S117 VanDerWaalsContact C-N 3.35Å; L115-S117 PolarHBondContact O-N 2.81Å; S117-E120 PolarHBondContact O-N 3.05Å; S117-E121 WeakPolarHBondContact O-CB 3.32Å; S117-E121 PolarHBondContact O-N 3.31Å
118M98.8Very high98.7Very high5 Ų545.3 Ų45.33%0.02524%0.243CC..Hα-helixtrans-69.2-33.9174.8-66.6-170.4-142.600113.1Y58 L72 E75 R76 V79 R114 L115 I116 L122Y58-M118 HydrophobicContact CE1-SD 4.23Å; L72-M118 HydrophobicContact CD1-CE 3.48Å; L72-M118 VanDerWaalsContact CD1-CE 3.48Å; E75-M118 HydrophobicContact CB-CE 4Å; R76-M118 HydrophobicContact CB-SD 4.14Å; V79-M118 HydrophobicContact CB-CB 4.31Å; V79-M118 HydrophobicContact CG1-CB 3.85Å; V79-M118 HydrophobicContact CG2-CB 3.92Å; V79-M118 HydrophobicContact CG2-SD 4.17Å; R114-M118 HydrophobicContact CG-CE 3.74Å; R114-M118 WeakPolarHBondContact O-CG 3.42Å; R114-M118 PolarHBondContact O-N 3.44Å; L115-M118 PolarHBondContact O-N 3.03Å; I116-M118 VanDerWaalsContact C-N 3.27Å; I116-M118 PolarHBondContact O-N 3.29Å; M118-L122 WeakPolarHBondContact O-CG 3.4Å; M118-L122 PolarHBondContact O-N 2.97Å
119Y98.9Very high98.7Very high0 Ų045.2 Ų45.20%024%0.242CC..Hα-helixtrans-63.8-45.1172.1-84.7-70.6000111.5F78 V79 G82 C83 L86 V93 T95 L115 I116 L122 G123 F124 V129F78-Y119 PolarHBondContact O-OH 2.71Å; V79-Y119 HydrophobicContact CB-CE2 4.35Å; V79-Y119 HydrophobicContact CG1-CD1 3.94Å; V79-Y119 HydrophobicContact CG1-CD2 4.12Å; V79-Y119 HydrophobicContact CG1-CE1 3.97Å; V79-Y119 HydrophobicContact CG1-CE2 4.17Å; V79-Y119 HydrophobicContact CG1-CG 3.99Å; V79-Y119 HydrophobicContact CG2-CD2 4.26Å; V79-Y119 HydrophobicContact CG2-CE2 3.98Å; V79-Y119 WeakPolarHBondContact O-CE1 3.11Å; V79-Y119 PolarHBondContact O-OH 3.44Å; G82-Y119 WeakPolarHBondContact CA-OH 3.4Å; C83-Y119 VanDerWaalsContact SG-CD1 3.57Å; L86-Y119 HydrophobicContact CD1-CD1 4.36Å; L86-Y119 HydrophobicContact CD1-CE1 4.26Å; V93-Y119 HydrophobicContact CG1-CE1 4.48Å; T95-Y119 HydrophobicContact CG2-CE2 4.22Å; T95-Y119 PolarHBondContact OG1-OH 3.04Å; L115-Y119 VanDerWaalsContact O-CD2 3.24Å; L115-Y119 WeakPolarHBondContact O-CD2 3.32Å; L115-Y119 PolarHBondContact O-N 3.08Å; I116-Y119 WeakPolarHBondContact O-CB 3.4Å; I116-Y119 PolarHBondContact O-N 3.22Å; Y119-L122 CarbonylContact O-C 3.53Å; Y119-L122 WeakPolarHBondContact O-CA 3.35Å; Y119-L122 PolarHBondContact O-N 2.78Å; Y119-L122 VanDerWaalsContact O-N 3.08Å; Y119-G123 PolarHBondContact O-N 3.02Å; Y119-F124 CarbonylContact C-O 3.53Å; Y119-F124 VanDerWaalsContact C-O 3.29Å; Y119-F124 HydrophobicContact CD1-CB 4.18Å; Y119-F124 PolarHBondContact O-N 3.3Å; Y119-V129 HydrophobicContact CD1-CG2 3.89Å; Y119-V129 HydrophobicContact CD2-CB 4.45Å; Y119-V129 HydrophobicContact CD2-CG1 4.01Å; Y119-V129 HydrophobicContact CD2-CG2 3.74Å; Y119-V129 HydrophobicContact CE1-CG2 4.12Å; Y119-V129 HydrophobicContact CE2-CG1 3.71Å; Y119-V129 HydrophobicContact CE2-CG2 3.96Å; Y119-V129 HydrophobicContact CG-CG2 3.72Å
120E98.7Very high98.7Very high103 Ų10345.2 Ų45.248%0.48124%0.242SC..Hα-helixtrans-65.3-40179.4-69.7178.8152.200111.6I116 S117 L122 G123 F124I116-E120 HydrophobicContact CG2-CG 4.38Å; I116-E120 WeakPolarHBondContact O-CG 3.22Å; I116-E120 PolarHBondContact O-N 2.75Å; S117-E120 PolarHBondContact O-N 3.05Å; E120-L122 PolarHBondContact O-N 3.02Å; E120-G123 PolarHBondContact O-N 3.27Å; E120-F124 WeakPolarHBondContact CA-O 3.47Å; E120-F124 PolarHBondContact N-O 3.19Å
121E98.4Very high98.7Very high107 Ų10741 Ų4150%0.522%0.223SC..Hα-helixtrans-54.5-35.2171.2-171.3-156130.400111.9Y58 R76 S117 G123Y58-E121 WeakPolarHBondContact CE2-OE1 3.23Å; Y58-E121 WeakPolarHBondContact CE2-OE2 3.43Å; Y58-E121 PolarHBondContact OH-OE2 3.01Å; R76-E121 IonicContact CZ-OE1 2.94Å; R76-E121 IonicContact CZ-OE2 3.63Å; R76-E121 IonicContact NH1-OE1 2.63Å; R76-E121 PolarHBondContact NH1-OE1 3.1Å; R76-E121 IonicContact NH1-OE2 3.95Å; R76-E121 PolarHBondContact NH1-OE2 2.92Å; R76-E121 IonicContact NH2-OE1 2.99Å; R76-E121 PolarHBondContact NH2-OE1 2.86Å; R76-E121 IonicContact NH2-OE2 3.13Å; S117-E121 WeakPolarHBondContact O-CB 3.32Å; S117-E121 PolarHBondContact O-N 3.31Å; E121-G123 VanDerWaalsContact C-N 3.34Å
122L98.5Very high98.7Very high60 Ų6041 Ų4131%0.31422%0.222SC..THydrogen-bonded Turntrans-92.19.3179.7-67.7170.7000113.5V79 L80 M118 Y119 E120 F124V79-L122 HydrophobicContact CG1-CD1 3.87Å; L80-L122 HydrophobicContact CD2-CD1 3.8Å; M118-L122 WeakPolarHBondContact O-CG 3.4Å; M118-L122 PolarHBondContact O-N 2.97Å; Y119-L122 CarbonylContact O-C 3.53Å; Y119-L122 WeakPolarHBondContact O-CA 3.35Å; Y119-L122 PolarHBondContact O-N 2.78Å; Y119-L122 VanDerWaalsContact O-N 3.08Å; E120-L122 PolarHBondContact O-N 3.02Å; L122-F124 HydrophobicContact CB-CD2 4.35Å; L122-F124 WeakPolarHBondContact O-CD2 3.46Å
123G98.5Very high98.7Very high69 Ų6941.1 Ų41.171%0.71122%0.223SC*.THydrogen-bonded Turntrans84.115.417400000115.3Y119 E120 E121Y119-G123 PolarHBondContact O-N 3.02Å; E120-G123 PolarHBondContact O-N 3.27Å; E121-G123 VanDerWaalsContact C-N 3.34Å
124F98.7Very high98.7Very high33 Ų3339.6 Ų39.615%0.14521%0.213CC..  trans-107.5123.9176.1-66.2-85.6000111.1C83 L86 K87 Y119 E120 L122C83-F124 HydrophobicContact CB-CD2 4.01Å; C83-F124 HydrophobicContact CB-CE2 3.59Å; C83-F124 HydrophobicContact CB-CZ 4.26Å; C83-F124 WeakPolarHBondContact O-CZ 3.44Å; C83-F124 VanDerWaalsContact SG-CD2 3.5Å; L86-F124 HydrophobicContact CB-CD1 3.64Å; L86-F124 HydrophobicContact CB-CE1 3.43Å; L86-F124 VanDerWaalsContact CB-CE1 3.43Å; L86-F124 HydrophobicContact CB-CZ 4.22Å; L86-F124 HydrophobicContact CD1-CB 4.06Å; L86-F124 HydrophobicContact CD1-CD1 3.59Å; L86-F124 HydrophobicContact CD1-CE1 4.26Å; L86-F124 HydrophobicContact CD1-CG 3.91Å; L86-F124 HydrophobicContact CG-CD1 4.27Å; K87-F124 HydrophobicContact CG-CZ 3.95Å; Y119-F124 CarbonylContact C-O 3.53Å; Y119-F124 VanDerWaalsContact C-O 3.29Å; Y119-F124 HydrophobicContact CD1-CB 4.18Å; Y119-F124 PolarHBondContact O-N 3.3Å; E120-F124 WeakPolarHBondContact CA-O 3.47Å; E120-F124 PolarHBondContact N-O 3.19Å; L122-F124 HydrophobicContact CB-CD2 4.35Å; L122-F124 WeakPolarHBondContact O-CD2 3.46Å
125S98.3Very high98.7Very high61 Ų6135.9 Ų35.943%0.42720%0.199SC..  trans-66144.8175.21740000111.5E127 R128S125-E127 PolarHBondContact O-N 3.47Å; S125-E127 VanDerWaalsContact O-N 3.11Å; S125-E127 PolarHBondContact OG-N 2.95Å; S125-R128 WeakPolarHBondContact O-CB 3.4Å; S125-R128 PolarHBondContact O-N 2.95Å
126K98.4Very high98.7Very high58 Ų5836 Ų3625%0.25220%0.199SC..G310 helixtrans-53.8-28.2173.172-177.9-175.7176.80114I116 R128 V129 Y150 G151 I152I116-K126 HydrophobicContact CD1-CB 3.97Å; I116-K126 HydrophobicContact CG1-CB 4.45Å; I116-K126 HydrophobicContact CG2-CB 3.54Å; I116-K126 HydrophobicContact CG2-CD 4.47Å; K126-R128 PolarHBondContact O-N 3.46Å; K126-R128 VanDerWaalsContact O-N 3.14Å; K126-V129 PolarHBondContact O-N 2.95Å; K126-V129 VanDerWaalsContact O-O 3.08Å; K126-Y150 PolarHBondContact NZ-O 3.48Å; K126-G151 VanDerWaalsContact CE-O 3.23Å; K126-G151 WeakPolarHBondContact CE-O 3.32Å; K126-G151 PolarHBondContact NZ-O 3.39Å; K126-I152 HydrophobicContact CD-CG1 4.47Å
127E98.5Very high98.7Very high94 Ų9436.8 Ų36.844%0.43920%0.202SC..G310 helixtrans-61.3-22.1176.2-59.3-57.1139.700112.9S125 V129 H153S125-E127 PolarHBondContact O-N 3.47Å; S125-E127 VanDerWaalsContact O-N 3.11Å; S125-E127 PolarHBondContact OG-N 2.95Å; E127-V129 VanDerWaalsContact C-N 3.33Å; E127-H153 IonicContact OE2-CD2 3.8Å; E127-H153 IonicContact OE2-NE2 3.41Å; E127-H153 PolarHBondContact OE2-NE2 3.21Å
128R98.5Very high98.7Very high74 Ų7434.8 Ų34.828%0.27919%0.185SC..G310 helixtrans-87.80.3176.7-60.3-67.3-57-77.2-4.8112.5L86 V89 P90 G91 R92 V93 S125 K126L86-R128 HydrophobicContact CD1-CB 3.99Å; L86-R128 HydrophobicContact CD2-CB 4.02Å; L86-R128 WeakPolarHBondContact CD2-O 3.31Å; L86-R128 PolarHBondContact O-NH2 3.5Å; V89-R128 PolarHBondContact O-NH2 3.48Å; P90-R128 PolarHBondContact O-NH2 2.94Å; G91-R128 PolarHBondContact O-NE 3.42Å; G91-R128 PolarHBondContact O-NH2 3.47Å; R92-R128 WeakPolarHBondContact CA-O 3.19Å; V93-R128 PolarHBondContact N-O 2.96Å; S125-R128 WeakPolarHBondContact O-CB 3.4Å; S125-R128 PolarHBondContact O-N 2.95Å; K126-R128 PolarHBondContact O-N 3.46Å; K126-R128 VanDerWaalsContact O-N 3.14Å
129V98.8Very high98.7Very high0 Ų034.5 Ų34.50%018%0.184CC..EExtended strand (participates in β ladder)trans-125.7133.4-173.1-175.40000110.1L86 V93 I116 Y119 K126 E127 I131L86-V129 HydrophobicContact CD1-CG2 4.19Å; V93-V129 HydrophobicContact CG1-CG2 4.45Å; V93-V129 WeakPolarHBondContact O-CA 3.4Å; I116-V129 HydrophobicContact CD1-CB 3.86Å; I116-V129 HydrophobicContact CD1-CG1 3.87Å; I116-V129 HydrophobicContact CD1-CG2 4.47Å; Y119-V129 HydrophobicContact CD1-CG2 3.89Å; Y119-V129 HydrophobicContact CD2-CB 4.45Å; Y119-V129 HydrophobicContact CD2-CG1 4.01Å; Y119-V129 HydrophobicContact CD2-CG2 3.74Å; Y119-V129 HydrophobicContact CE1-CG2 4.12Å; Y119-V129 HydrophobicContact CE2-CG1 3.71Å; Y119-V129 HydrophobicContact CE2-CG2 3.96Å; Y119-V129 HydrophobicContact CG-CG2 3.72Å; K126-V129 PolarHBondContact O-N 2.95Å; K126-V129 VanDerWaalsContact O-O 3.08Å; E127-V129 VanDerWaalsContact C-N 3.33Å; V129-I131 HydrophobicContact CG1-CD1 4.26Å
130L98.9Very high98.7Very high2 Ų234.7 Ų34.71%0.0118%0.184CC..EExtended strand (participates in β ladder)trans-103.1115.5165.5-66.6171.7000108.4R92 V93 S94 T95 K132 H153 N155 T174 L175R92-L130 HydrophobicContact CB-CD1 4.47Å; R92-L130 HydrophobicContact CB-CG 4.32Å; V93-L130 PolarHBondContact O-N 2.95Å; S94-L130 CarbonylContact C-O 3.52Å; S94-L130 VanDerWaalsContact CA-O 3.31Å; S94-L130 WeakPolarHBondContact CA-O 3.46Å; T95-L130 PolarHBondContact N-O 2.91Å; L130-K132 PolarHBondContact O-N 3.38Å; L130-H153 CarbonylContact C-O 3.55Å; L130-H153 WeakPolarHBondContact CA-O 3.43Å; L130-H153 HydrophobicContact CD2-CB 3.61Å; L130-N155 HydrophobicContact CB-CB 4.02Å; L130-N155 HydrophobicContact CD1-CB 4.38Å; L130-T174 HydrophobicContact CD2-CG2 4.04Å; L130-L175 HydrophobicContact CD1-CD1 4.1Å
131I98.9Very high98.7Very high0 Ų033.2 Ų33.20%018%0.176CC..EExtended strand (participates in β ladder)trans-72.7118.7170.6-66.8-59.4000108.6V97 A112 L115 I116 V129 L133 L146 I152 H153 C154 N155V97-I131 HydrophobicContact CG2-CG2 3.77Å; A112-I131 HydrophobicContact CB-CB 4.45Å; A112-I131 HydrophobicContact CB-CG1 4.18Å; A112-I131 HydrophobicContact CB-CG2 3.65Å; L115-I131 HydrophobicContact CB-CD1 4.04Å; L115-I131 HydrophobicContact CD1-CD1 4.12Å; I116-I131 HydrophobicContact CD1-CD1 3.99Å; I116-I131 HydrophobicContact CD1-CG1 4.09Å; I116-I131 HydrophobicContact CG1-CD1 4.11Å; I116-I131 HydrophobicContact CG1-CG1 4.13Å; V129-I131 HydrophobicContact CG1-CD1 4.26Å; I131-L133 HydrophobicContact CG2-CD2 4.04Å; I131-L133 HydrophobicContact CG2-CG 4.19Å; I131-L146 HydrophobicContact CG2-CD1 4.33Å; I131-I152 HydrophobicContact CB-CG2 4.04Å; I131-I152 HydrophobicContact CG1-CG2 3.45Å; I131-I152 VanDerWaalsContact CG1-CG2 3.45Å; I131-H153 PolarHBondContact N-O 3.07Å; I131-C154 CarbonylContact O-C 3.58Å; I131-C154 WeakPolarHBondContact O-CA 3.3Å; I131-N155 PolarHBondContact O-N 3.18Å
132K98.9Very high98.7Very high2 Ų228.1 Ų28.11%0.00915%0.152CC..EExtended strand (participates in β ladder)trans-97.2125.2-175-174.1-179.3177.8-145.10110.6T33 T34 T95 E96 V97 L130 N155 T157T33-K132 HydrophobicContact CG2-CD 4.32Å; T34-K132 PolarHBondContact O-NZ 3.38Å; T95-K132 PolarHBondContact O-N 3.48Å; E96-K132 WeakPolarHBondContact CA-O 3.25Å; E96-K132 HydrophobicContact CB-CB 4.23Å; E96-K132 HydrophobicContact CB-CD 4.35Å; E96-K132 HydrophobicContact CG-CB 4.26Å; E96-K132 HydrophobicContact CG-CD 4.27Å; E96-K132 HydrophobicContact CG-CG 4.16Å; E96-K132 WeakPolarHBondContact OE2-CD 3.28Å; E96-K132 WeakPolarHBondContact OE2-CE 3.34Å; E96-K132 IonicContact OE2-NZ 3.22Å; E96-K132 PolarHBondContact OE2-NZ 3.34Å; V97-K132 PolarHBondContact N-O 2.97Å; L130-K132 PolarHBondContact O-N 3.38Å; K132-N155 CarbonylContact C-O 3.59Å; K132-N155 WeakPolarHBondContact CA-O 3.13Å; K132-N155 HydrophobicContact CB-CB 4.25Å; K132-N155 HydrophobicContact CG-CB 4.28Å; K132-N155 WeakPolarHBondContact CG-O 3.44Å; K132-T157 HydrophobicContact CD-CG2 4.22Å; K132-T157 VanDerWaalsContact CE-CG2 3.49Å; K132-T157 WeakPolarHBondContact CE-OG1 3.44Å; K132-T157 HydrophobicContact CG-CG2 3.77Å
133L98.9Very high98.8Very high2 Ų225.2 Ų25.21%0.0114%0.137CC..EExtended strand (participates in β ladder)trans-128.6149.4-176.2-58.4176.4000110.1V97 Q108 I131 A142 A143 L146 N155 L156 T157V97-L133 HydrophobicContact CB-CD2 3.62Å; V97-L133 HydrophobicContact CG1-CD2 4.27Å; V97-L133 HydrophobicContact CG2-CD2 3.49Å; V97-L133 VanDerWaalsContact CG2-CD2 3.49Å; Q108-L133 HydrophobicContact CB-CD2 4.26Å; Q108-L133 HydrophobicContact CG-CD2 4.36Å; I131-L133 HydrophobicContact CG2-CD2 4.04Å; I131-L133 HydrophobicContact CG2-CG 4.19Å; L133-A142 HydrophobicContact CD1-CB 4.02Å; L133-A143 HydrophobicContact CD1-CB 4.06Å; L133-L146 HydrophobicContact CD1-CD1 3.93Å; L133-N155 PolarHBondContact N-O 2.97Å; L133-L156 HydrophobicContact CB-CD1 4.06Å; L133-L156 WeakPolarHBondContact O-CA 3.2Å; L133-T157 WeakPolarHBondContact O-CG2 3.42Å; L133-T157 PolarHBondContact O-N 2.93Å
134S98.8Very high98.8Very high4 Ų426.1 Ų26.13%0.02812%0.122CC..EExtended strand (participates in β ladder)trans-64.1138.5170.9-56.90000110.7S102 T136 G139 T157S102-S134 WeakPolarHBondContact OG-CB 3.34Å; S102-S134 PolarHBondContact OG-OG 2.8Å; S134-T136 PolarHBondContact O-N 2.91Å; S134-G139 WeakPolarHBondContact O-CA 3.48Å; S134-T157 CarbonylContact C-O 3.29Å
135S98.8Very high98.8Very high0 Ų026.5 Ų26.50%013%0.125CC..SBendtrans-74.344.9175.6-640000113.4L156 T157 Q164S135-L156 WeakPolarHBondContact OG-CB 3.31Å; S135-T157 VanDerWaalsContact CB-O 3.31Å; S135-T157 WeakPolarHBondContact CB-O 3.15Å; S135-T157 PolarHBondContact N-O 3.42Å; S135-T157 PolarHBondContact OG-O 2.9Å; S135-Q164 VanDerWaalsContact CB-NE2 3.29Å; S135-Q164 PolarHBondContact O-NE2 3.44Å
136T98.8Very high98.8Very high4 Ų423.6 Ų23.63%0.02511%0.105CC..SBendtrans-76.2167163.758.10000109.7S102 F103 S134 E138 G139 I140 L302 I306S102-T136 PolarHBondContact O-OG1 3.09Å; F103-T136 HydrophobicContact CD1-CG2 4.07Å; F103-T136 HydrophobicContact CE1-CG2 3.61Å; F103-T136 HydrophobicContact CZ-CG2 4.34Å; S134-T136 PolarHBondContact O-N 2.91Å; T136-E138 VanDerWaalsContact C-N 3.26Å; T136-E138 PolarHBondContact O-N 3.37Å; T136-G139 PolarHBondContact O-N 2.99Å; T136-G139 PolarHBondContact OG1-N 2.84Å; T136-I140 WeakPolarHBondContact O-CG1 3.48Å; T136-I140 PolarHBondContact O-N 3.34Å; T136-L302 HydrophobicContact CG2-CD1 4.25Å; T136-L302 HydrophobicContact CG2-CD2 4.17Å; T136-L302 HydrophobicContact CG2-CG 4.47Å; T136-I306 HydrophobicContact CG2-CD1 3.65Å
137W98.8Very high98.8Very high23 Ų2322.2 Ų22.29%0.08710%0.099CC..Hα-helixtrans-55.9-46.4172.6177.8-111.2000111I140 K141 L283 E285 F288W137-I140 PolarHBondContact O-N 3.48Å; W137-K141 VanDerWaalsContact CH2-CE 3.49Å; W137-K141 HydrophobicContact CZ2-CD 4.44Å; W137-K141 WeakPolarHBondContact O-CG 3.38Å; W137-K141 PolarHBondContact O-N 3.27Å; W137-L283 VanDerWaalsContact CH2-O 3.3Å; W137-L283 WeakPolarHBondContact CH2-O 3.38Å; W137-E285 VanDerWaalsContact CD1-CD 3.44Å; W137-E285 HydrophobicContact CD2-CB 4.18Å; W137-E285 HydrophobicContact CD2-CG 4.08Å; W137-E285 VanDerWaalsContact CE2-CB 3.45Å; W137-E285 HydrophobicContact CG-CG 4.06Å; W137-E285 HydrophobicContact CH2-CB 4.15Å; W137-E285 VanDerWaalsContact CH2-N 3.26Å; W137-E285 HydrophobicContact CZ2-CB 3.43Å; W137-E285 VanDerWaalsContact CZ2-CB 3.43Å; W137-E285 HydrophobicContact CZ2-CG 4.18Å; W137-E285 PolarHBondContact NE1-OE2 3.02Å; W137-F288 HydrophobicContact CB-CD1 3.87Å; W137-F288 HydrophobicContact CB-CE1 3.86Å; W137-F288 HydrophobicContact CD2-CD1 4.45Å; W137-F288 HydrophobicContact CE3-CB 3.69Å; W137-F288 AromaticContact CE3-CD1 3.9Å; W137-F288 HydrophobicContact CE3-CD1 3.9Å; W137-F288 HydrophobicContact CE3-CD2 4.14Å; W137-F288 AromaticContact CE3-CG 3.63Å; W137-F288 HydrophobicContact CE3-CG 3.63Å; W137-F288 HydrophobicContact CZ3-CB 3.79Å; W137-F288 HydrophobicContact CZ3-CG 4.15Å
138E98.9Very high98.8Very high29 Ų2921.9 Ų21.914%0.13611%0.107CC..Hα-helixtrans-66.5-40-178.8-60.680.5-177.400112V105 T136 I140 K141 A142 R289V105-E138 HydrophobicContact CG2-CB 3.73Å; V105-E138 HydrophobicContact CG2-CG 4.1Å; T136-E138 VanDerWaalsContact C-N 3.26Å; T136-E138 PolarHBondContact O-N 3.37Å; E138-I140 VanDerWaalsContact C-N 3.34Å; E138-K141 PolarHBondContact O-N 2.87Å; E138-A142 WeakPolarHBondContact O-CB 3.25Å; E138-A142 PolarHBondContact O-N 2.9Å; E138-R289 IonicContact OE1-CZ 3.57Å; E138-R289 IonicContact OE1-NH1 2.92Å; E138-R289 IonicContact OE1-NH2 3.67Å; E138-R289 PolarHBondContact OE1-NH2 3.28Å
139G98.9Very high98.8Very high0 Ų024.9 Ų24.90%012%0.124CC..Hα-helixtrans-63.8-38.4174.400000112.4S134 T136 A142 A143S134-G139 WeakPolarHBondContact O-CA 3.48Å; T136-G139 PolarHBondContact O-N 2.99Å; T136-G139 PolarHBondContact OG1-N 2.84Å; G139-A142 PolarHBondContact O-N 3.39Å; G139-A143 WeakPolarHBondContact O-CB 3.25Å; G139-A143 PolarHBondContact O-N 2.88Å
140I98.9Very high98.8Very high4 Ų429.8 Ų29.82%0.02114%0.143CC..Hα-helixtrans-67.2-39.4174.2-64.3167.5000111T136 W137 E138 A143 K144 L156 A167 A171 F288T136-I140 WeakPolarHBondContact O-CG1 3.48Å; T136-I140 PolarHBondContact O-N 3.34Å; W137-I140 PolarHBondContact O-N 3.48Å; E138-I140 VanDerWaalsContact C-N 3.34Å; I140-A143 PolarHBondContact O-N 2.88Å; I140-K144 PolarHBondContact O-N 3.28Å; I140-L156 HydrophobicContact CG1-CD1 4.18Å; I140-A167 HydrophobicContact CD1-CB 3.79Å; I140-A167 HydrophobicContact CG2-CB 4.42Å; I140-A171 HydrophobicContact CG2-CB 3.76Å; I140-F288 HydrophobicContact CD1-CE2 3.93Å; I140-F288 HydrophobicContact CD1-CZ 4.16Å
141K98.9Very high98.8Very high71 Ų7131 Ų3131%0.30916%0.156SC..Hα-helixtrans-65.6-42173.6-65.2-54178.3-1720112.2V105 W137 E138 K144 I145V105-K141 HydrophobicContact CG1-CB 4.28Å; V105-K141 HydrophobicContact CG2-CB 4.12Å; W137-K141 VanDerWaalsContact CH2-CE 3.49Å; W137-K141 HydrophobicContact CZ2-CD 4.44Å; W137-K141 WeakPolarHBondContact O-CG 3.38Å; W137-K141 PolarHBondContact O-N 3.27Å; E138-K141 PolarHBondContact O-N 2.87Å; K141-K144 WeakPolarHBondContact O-CB 3.39Å; K141-K144 PolarHBondContact O-N 3.42Å; K141-I145 WeakPolarHBondContact O-CG1 3.18Å; K141-I145 PolarHBondContact O-N 3.4Å; K141-I145 VanDerWaalsContact O-N 3.13Å
142A98.9Very high98.8Very high0 Ų031.3 Ų31.30%016%0.158CC..Hα-helixtrans-61-45174.600000111.1V105 Q108 V109 L133 E138 G139 K144 I145 L146V105-A142 HydrophobicContact CG1-CB 4.21Å; Q108-A142 HydrophobicContact CB-CB 3.79Å; V109-A142 HydrophobicContact CG2-CB 4.01Å; L133-A142 HydrophobicContact CD1-CB 4.02Å; E138-A142 WeakPolarHBondContact O-CB 3.25Å; E138-A142 PolarHBondContact O-N 2.9Å; G139-A142 PolarHBondContact O-N 3.39Å; A142-K144 VanDerWaalsContact C-N 3.35Å; A142-K144 PolarHBondContact O-N 2.96Å; A142-I145 PolarHBondContact O-N 3.13Å; A142-L146 WeakPolarHBondContact O-CG 3.25Å; A142-L146 PolarHBondContact O-N 3.22Å
143A98.9Very high98.8Very high0 Ų033.8 Ų33.80%017%0.169CC..Hα-helixtrans-58.9-44175.200000112.4L133 G139 I140 I145 L146 E147 C154 L156 V173L133-A143 HydrophobicContact CD1-CB 4.06Å; G139-A143 WeakPolarHBondContact O-CB 3.25Å; G139-A143 PolarHBondContact O-N 2.88Å; I140-A143 PolarHBondContact O-N 2.88Å; A143-I145 VanDerWaalsContact C-N 3.3Å; A143-I145 PolarHBondContact O-N 3.28Å; A143-L146 PolarHBondContact O-N 3.19Å; A143-E147 WeakPolarHBondContact O-CB 3.5Å; A143-E147 VanDerWaalsContact O-CG 3.25Å; A143-E147 WeakPolarHBondContact O-CG 3.45Å; A143-E147 PolarHBondContact O-N 3.36Å; A143-C154 HydrophobicContact CB-CB 3.97Å; A143-L156 HydrophobicContact CB-CD1 4.18Å; A143-L156 HydrophobicContact CB-CD2 3.67Å; A143-L156 HydrophobicContact CB-CG 4.35Å; A143-V173 HydrophobicContact CB-CG1 3.73Å
144K98.8Very high98.8Very high87 Ų8733.7 Ų33.738%0.37817%0.169SC..Hα-helixtrans-56.5-45.2175.8-171.2176178.5173.90111.8I140 K141 A142 S148 A171I140-K144 PolarHBondContact O-N 3.28Å; K141-K144 WeakPolarHBondContact O-CB 3.39Å; K141-K144 PolarHBondContact O-N 3.42Å; A142-K144 VanDerWaalsContact C-N 3.35Å; A142-K144 PolarHBondContact O-N 2.96Å; K144-S148 VanDerWaalsContact O-CB 3.28Å; K144-S148 WeakPolarHBondContact O-CB 3.41Å; K144-S148 PolarHBondContact O-N 2.84Å; K144-S148 PolarHBondContact O-OG 3.3Å; K144-A171 HydrophobicContact CB-CB 4.09Å; K144-A171 HydrophobicContact CG-CB 4.41Å
145I98.9Very high98.8Very high42 Ų4233.5 Ų33.522%0.21517%0.168CC..Hα-helixtrans-63.3-48.7177.7-68.7166.6000110.2V105 V109 K141 A142 A143 E147 S148 Q149 Y150V105-I145 HydrophobicContact CG1-CD1 3.76Å; V109-I145 HydrophobicContact CG1-CG2 4.06Å; V109-I145 HydrophobicContact CG2-CB 4.1Å; V109-I145 HydrophobicContact CG2-CD1 4.35Å; V109-I145 HydrophobicContact CG2-CG2 3.9Å; K141-I145 WeakPolarHBondContact O-CG1 3.18Å; K141-I145 PolarHBondContact O-N 3.4Å; K141-I145 VanDerWaalsContact O-N 3.13Å; A142-I145 PolarHBondContact O-N 3.13Å; A143-I145 VanDerWaalsContact C-N 3.3Å; A143-I145 PolarHBondContact O-N 3.28Å; I145-E147 PolarHBondContact O-N 2.98Å; I145-S148 PolarHBondContact O-N 3.43Å; I145-Q149 VanDerWaalsContact O-CB 3.31Å; I145-Q149 WeakPolarHBondContact O-CB 3.47Å; I145-Q149 PolarHBondContact O-N 2.93Å; I145-Y150 HydrophobicContact CG2-CD2 4.11Å; I145-Y150 HydrophobicContact CG2-CE2 3.71Å
146L98.9Very high98.8Very high0 Ų033.5 Ų33.50%017%0.168CC..Iπ-helixtrans-59.3-47.7-179.5-72.9166.4000112.6V109 A112 I131 L133 A142 A143 Y150 G151 I152V109-L146 HydrophobicContact CG1-CD2 4.1Å; V109-L146 HydrophobicContact CG2-CG 4.3Å; A112-L146 HydrophobicContact CB-CD1 3.56Å; A112-L146 HydrophobicContact CB-CD2 3.58Å; A112-L146 HydrophobicContact CB-CG 4.23Å; I131-L146 HydrophobicContact CG2-CD1 4.33Å; L133-L146 HydrophobicContact CD1-CD1 3.93Å; A142-L146 WeakPolarHBondContact O-CG 3.25Å; A142-L146 PolarHBondContact O-N 3.22Å; A143-L146 PolarHBondContact O-N 3.19Å; L146-Y150 HydrophobicContact CD2-CD2 4.35Å; L146-Y150 CarbonylContact O-C 3.59Å; L146-Y150 WeakPolarHBondContact O-CA 3.44Å; L146-Y150 WeakPolarHBondContact O-CB 3.41Å; L146-Y150 PolarHBondContact O-N 3.43Å; L146-G151 PolarHBondContact O-N 2.88Å; L146-I152 CarbonylContact C-O 3.58Å; L146-I152 HydrophobicContact CB-CB 4.14Å; L146-I152 HydrophobicContact CB-CG2 4.39Å; L146-I152 HydrophobicContact CD2-CB 4.28Å; L146-I152 HydrophobicContact CD2-CD1 3.88Å; L146-I152 HydrophobicContact CD2-CG2 4.35Å; L146-I152 PolarHBondContact O-N 3.01Å
147E98.8Very high98.8Very high29 Ų2933.3 Ų33.314%0.13617%0.166CC..Iπ-helixtrans-66.3-50179.2-66.8-84.1-163.900111A143 I145 G151 I152 H153 C154 T174A143-E147 WeakPolarHBondContact O-CB 3.5Å; A143-E147 VanDerWaalsContact O-CG 3.25Å; A143-E147 WeakPolarHBondContact O-CG 3.45Å; A143-E147 PolarHBondContact O-N 3.36Å; I145-E147 PolarHBondContact O-N 2.98Å; E147-G151 WeakPolarHBondContact O-CA 3.45Å; E147-G151 PolarHBondContact O-N 3.49Å; E147-I152 PolarHBondContact N-O 2.77Å; E147-H153 WeakPolarHBondContact OE1-CA 3.25Å; E147-H153 WeakPolarHBondContact OE2-CA 3.26Å; E147-H153 IonicContact OE2-CE1 3.28Å; E147-H153 IonicContact OE2-CG 2.91Å; E147-H153 IonicContact OE2-ND1 2.71Å; E147-H153 PolarHBondContact OE2-ND1 2.84Å; E147-C154 HydrophobicContact CG-CB 4.28Å; E147-C154 PolarHBondContact OE1-N 3.01Å; E147-T174 VanDerWaalsContact CD-OG1 3.25Å; E147-T174 WeakPolarHBondContact OE1-CB 3.41Å; E147-T174 PolarHBondContact OE1-N 2.93Å; E147-T174 PolarHBondContact OE1-OG1 3.2Å; E147-T174 PolarHBondContact OE2-OG1 2.97Å; E147-T174 VanDerWaalsContact OE2-OG1 3.1Å
148S98.5Very high98.8Very high87 Ų8732.2 Ų32.261%0.60816%0.162SC*.Iπ-helixtrans-80.6-33.9-17163.40000115.1K144 I145K144-S148 VanDerWaalsContact O-CB 3.28Å; K144-S148 WeakPolarHBondContact O-CB 3.41Å; K144-S148 PolarHBondContact O-N 2.84Å; K144-S148 PolarHBondContact O-OG 3.3Å; I145-S148 PolarHBondContact O-N 3.43Å
149Q98.6Very high98.8Very high136 Ų13630.8 Ų30.864%0.63616%0.156SC*.Iπ-helixtrans-102.8-34.1-174.4-57.7-176.716.400112.7I145I145-Q149 VanDerWaalsContact O-CB 3.31Å; I145-Q149 WeakPolarHBondContact O-CB 3.47Å; I145-Q149 PolarHBondContact O-N 2.93Å
150Y98.5Very high98.8Very high103 Ų10330.8 Ų30.840%0.40416%0.156SC..Iπ-helixtrans-106.5-11.8-175.7-61.1-86.4000113V109 K126 I145 L146 I152V109-Y150 HydrophobicContact CG1-CD2 4.37Å; V109-Y150 HydrophobicContact CG1-CE2 3.7Å; K126-Y150 PolarHBondContact NZ-O 3.48Å; I145-Y150 HydrophobicContact CG2-CD2 4.11Å; I145-Y150 HydrophobicContact CG2-CE2 3.71Å; L146-Y150 HydrophobicContact CD2-CD2 4.35Å; L146-Y150 CarbonylContact O-C 3.59Å; L146-Y150 WeakPolarHBondContact O-CA 3.44Å; L146-Y150 WeakPolarHBondContact O-CB 3.41Å; L146-Y150 PolarHBondContact O-N 3.43Å; Y150-I152 HydrophobicContact CG-CD1 4.42Å; Y150-I152 PolarHBondContact O-N 3.21Å
151G98.5Very high98.8Very high27 Ų2730.7 Ų30.728%0.27816%0.155SC..  trans56.841.4-17200000111.2K126 L146 E147K126-G151 VanDerWaalsContact CE-O 3.23Å; K126-G151 WeakPolarHBondContact CE-O 3.32Å; K126-G151 PolarHBondContact NZ-O 3.39Å; L146-G151 PolarHBondContact O-N 2.88Å; E147-G151 WeakPolarHBondContact O-CA 3.45Å; E147-G151 PolarHBondContact O-N 3.49Å
152I98.9Very high98.7Very high7 Ų727.6 Ų27.64%0.03614%0.142CC..  trans-104.5113177.1-68.3172.6000107.6I116 K126 I131 L146 E147 Y150 C154I116-I152 HydrophobicContact CB-CD1 4.33Å; I116-I152 HydrophobicContact CD1-CG2 4.38Å; I116-I152 HydrophobicContact CG1-CD1 3.87Å; I116-I152 HydrophobicContact CG1-CG1 4.07Å; I116-I152 HydrophobicContact CG1-CG2 4.01Å; K126-I152 HydrophobicContact CD-CG1 4.47Å; I131-I152 HydrophobicContact CB-CG2 4.04Å; I131-I152 HydrophobicContact CG1-CG2 3.45Å; I131-I152 VanDerWaalsContact CG1-CG2 3.45Å; L146-I152 CarbonylContact C-O 3.58Å; L146-I152 HydrophobicContact CB-CB 4.14Å; L146-I152 HydrophobicContact CB-CG2 4.39Å; L146-I152 HydrophobicContact CD2-CB 4.28Å; L146-I152 HydrophobicContact CD2-CD1 3.88Å; L146-I152 HydrophobicContact CD2-CG2 4.35Å; L146-I152 PolarHBondContact O-N 3.01Å; E147-I152 PolarHBondContact N-O 2.77Å; Y150-I152 HydrophobicContact CG-CD1 4.42Å; Y150-I152 PolarHBondContact O-N 3.21Å; I152-C154 PolarHBondContact O-SG 2.78Å; I152-C154 VanDerWaalsContact O-SG 3.41Å
153H98.9Very high98.6Very high54 Ų5429.5 Ų29.525%0.2515%0.149CC..  trans-69.6135.6-179-66.2-42.3000112.2E127 L130 I131 E147 T174E127-H153 IonicContact OE2-CD2 3.8Å; E127-H153 IonicContact OE2-NE2 3.41Å; E127-H153 PolarHBondContact OE2-NE2 3.21Å; L130-H153 CarbonylContact C-O 3.55Å; L130-H153 WeakPolarHBondContact CA-O 3.43Å; L130-H153 HydrophobicContact CD2-CB 3.61Å; I131-H153 PolarHBondContact N-O 3.07Å; E147-H153 WeakPolarHBondContact OE1-CA 3.25Å; E147-H153 WeakPolarHBondContact OE2-CA 3.26Å; E147-H153 IonicContact OE2-CE1 3.28Å; E147-H153 IonicContact OE2-CG 2.91Å; E147-H153 IonicContact OE2-ND1 2.71Å; E147-H153 PolarHBondContact OE2-ND1 2.84Å; H153-T174 HydrophobicContact CB-CG2 4.27Å; H153-T174 PolarHBondContact ND1-OG1 3.4Å
154C98.9Very high98.6Very high0 Ų029.5 Ų29.50%015%0.149CC..EExtended strand (participates in β ladder)trans-117145.5-172.3-67.70000112.9I131 A143 E147 I152 L156 L175I131-C154 CarbonylContact O-C 3.58Å; I131-C154 WeakPolarHBondContact O-CA 3.3Å; A143-C154 HydrophobicContact CB-CB 3.97Å; E147-C154 HydrophobicContact CG-CB 4.28Å; E147-C154 PolarHBondContact OE1-N 3.01Å; I152-C154 PolarHBondContact O-SG 2.78Å; I152-C154 VanDerWaalsContact O-SG 3.41Å; C154-L156 HydrophobicContact CB-CD2 3.78Å; C154-L175 PolarHBondContact O-N 2.99Å
155N98.9Very high98.6Very high0 Ų025.4 Ų25.40%013%0.131CC..EExtended strand (participates in β ladder)trans-116.4112.5169.3174.71.8000109.8S94 L130 I131 K132 L133 L175 S177 M224S94-N155 PolarHBondContact OG-ND2 3.02Å; L130-N155 HydrophobicContact CB-CB 4.02Å; L130-N155 HydrophobicContact CD1-CB 4.38Å; I131-N155 PolarHBondContact O-N 3.18Å; K132-N155 CarbonylContact C-O 3.59Å; K132-N155 WeakPolarHBondContact CA-O 3.13Å; K132-N155 HydrophobicContact CB-CB 4.25Å; K132-N155 HydrophobicContact CG-CB 4.28Å; K132-N155 WeakPolarHBondContact CG-O 3.44Å; L133-N155 PolarHBondContact N-O 2.97Å; N155-L175 CarbonylContact C-O 3.44Å; N155-L175 WeakPolarHBondContact CA-O 3.17Å; N155-L175 HydrophobicContact CB-CD2 3.89Å; N155-L175 WeakPolarHBondContact OD1-CD2 3.23Å; N155-S177 PolarHBondContact ND2-OG 3.38Å; N155-S177 WeakPolarHBondContact OD1-CB 3.37Å; N155-S177 PolarHBondContact OD1-OG 2.97Å; N155-M224 WeakPolarHBondContact ND2-CE 3.37Å
156L98.9Very high98.5Very high0 Ų023.4 Ų23.40%012%0.121CC..EExtended strand (participates in β ladder)trans-91.8112.1-177.4-80.3-68.9000110L133 S135 I140 A143 C154 V173 L175 I176 S177L133-L156 HydrophobicContact CB-CD1 4.06Å; L133-L156 WeakPolarHBondContact O-CA 3.2Å; S135-L156 WeakPolarHBondContact OG-CB 3.31Å; I140-L156 HydrophobicContact CG1-CD1 4.18Å; A143-L156 HydrophobicContact CB-CD1 4.18Å; A143-L156 HydrophobicContact CB-CD2 3.67Å; A143-L156 HydrophobicContact CB-CG 4.35Å; C154-L156 HydrophobicContact CB-CD2 3.78Å; L156-V173 HydrophobicContact CD2-CB 3.78Å; L156-V173 HydrophobicContact CD2-CG1 3.73Å; L156-V173 HydrophobicContact CD2-CG2 3.99Å; L156-V173 HydrophobicContact CG-CG1 4.21Å; L156-V173 HydrophobicContact CG-CG2 4.33Å; L156-L175 PolarHBondContact N-O 3.42Å; L156-I176 HydrophobicContact CB-CG2 4.13Å; L156-I176 CarbonylContact O-C 3.59Å; L156-S177 PolarHBondContact O-N 2.64Å
157T98.7Very high98.4Very high0 Ų023.7 Ų23.70%012%0.124CC..EExtended strand (participates in β ladder)trans-108.6178.6-173.4-1610000112.7K132 L133 S134 S135 M159 F179K132-T157 HydrophobicContact CD-CG2 4.22Å; K132-T157 VanDerWaalsContact CE-CG2 3.49Å; K132-T157 WeakPolarHBondContact CE-OG1 3.44Å; K132-T157 HydrophobicContact CG-CG2 3.77Å; L133-T157 WeakPolarHBondContact O-CG2 3.42Å; L133-T157 PolarHBondContact O-N 2.93Å; S134-T157 CarbonylContact C-O 3.29Å; S135-T157 VanDerWaalsContact CB-O 3.31Å; S135-T157 WeakPolarHBondContact CB-O 3.15Å; S135-T157 PolarHBondContact N-O 3.42Å; S135-T157 PolarHBondContact OG-O 2.9Å; T157-M159 PolarHBondContact O-N 3.48Å; T157-F179 WeakPolarHBondContact OG1-CE1 3.28Å; T157-F179 WeakPolarHBondContact OG1-CZ 3.42Å
158L98.6Very high98.4Very high0 Ų022.3 Ų22.30%012%0.117CC..EExtended strand (participates in β ladder)trans56.241.2-173.1-58.6-178.2000111.4F160 Q164 F179 L302 I306 F309L158-F160 VanDerWaalsContact C-CE2 3.41Å; L158-F160 HydrophobicContact CB-CE2 3.83Å; L158-F160 HydrophobicContact CB-CZ 4.43Å; L158-F160 HydrophobicContact CD2-CE2 4.29Å; L158-F160 HydrophobicContact CD2-CZ 4.18Å; L158-F160 WeakPolarHBondContact O-CD2 3.41Å; L158-F160 VanDerWaalsContact O-CE2 3.26Å; L158-F160 WeakPolarHBondContact O-CE2 3.47Å; L158-Q164 PolarHBondContact O-NE2 3.27Å; L158-F179 HydrophobicContact CD2-CD2 4.16Å; L158-F179 HydrophobicContact CD2-CE2 3.65Å; L158-F179 HydrophobicContact CD2-CZ 4.28Å; L158-L302 HydrophobicContact CB-CD1 3.78Å; L158-L302 HydrophobicContact CD1-CD1 4.39Å; L158-I306 HydrophobicContact CD1-CG1 3.68Å; L158-F309 HydrophobicContact CD1-CD2 4.04Å; L158-F309 HydrophobicContact CD1-CE2 4.21Å; L158-F309 HydrophobicContact CD2-CD2 4.19Å; L158-F309 HydrophobicContact CD2-CE2 3.64Å; L158-F309 HydrophobicContact CD2-CZ 4.19Å; L158-F309 HydrophobicContact CG-CD2 4.29Å; L158-F309 HydrophobicContact CG-CE2 3.94Å
159M98.8Very high98.4Very high0 Ų018.1 Ų18.10%09%0.088CC..EExtended strand (participates in β ladder)trans-95.6120.5178.4176.2174.4-6200110.2T157 Q164 A165 C168 I176 P178 F179 I210T157-M159 PolarHBondContact O-N 3.48Å; M159-Q164 HydrophobicContact CE-CB 4.15Å; M159-Q164 HydrophobicContact CG-CB 4.01Å; M159-A165 HydrophobicContact CE-CB 4.39Å; M159-A165 HydrophobicContact SD-CB 3.81Å; M159-C168 HydrophobicContact CE-CB 4.28Å; M159-C168 VanDerWaalsContact CE-SG 3.59Å; M159-I176 HydrophobicContact CE-CB 3.55Å; M159-I176 HydrophobicContact CE-CD1 4Å; M159-I176 HydrophobicContact CE-CG1 4.39Å; M159-I176 HydrophobicContact CE-CG2 3.5Å; M159-I176 VanDerWaalsContact CE-CG2 3.5Å; M159-I176 HydrophobicContact SD-CB 3.86Å; M159-I176 HydrophobicContact SD-CD1 3.42Å; M159-I176 WeakPolarHBondContact SD-CD1 3.24Å; M159-I176 HydrophobicContact SD-CG1 4.18Å; M159-I176 HydrophobicContact SD-CG2 4.37Å; M159-P178 HydrophobicContact CB-CB 4.48Å; M159-P178 HydrophobicContact CG-CB 4.2Å; M159-P178 WeakPolarHBondContact O-CA 3.31Å; M159-P178 HydrophobicContact SD-CB 4.33Å; M159-F179 PolarHBondContact O-N 2.85Å; M159-I210 HydrophobicContact SD-CD1 4.37Å
160F98.7Very high98.3Very high0 Ų012.2 Ų12.20%06%0.06CC..  trans-130.8-11.6-174.2-56.3-71.3000112.3L158 F179 R182 V183 L206 M297 A298 K301 L302L158-F160 VanDerWaalsContact C-CE2 3.41Å; L158-F160 HydrophobicContact CB-CE2 3.83Å; L158-F160 HydrophobicContact CB-CZ 4.43Å; L158-F160 HydrophobicContact CD2-CE2 4.29Å; L158-F160 HydrophobicContact CD2-CZ 4.18Å; L158-F160 WeakPolarHBondContact O-CD2 3.41Å; L158-F160 VanDerWaalsContact O-CE2 3.26Å; L158-F160 WeakPolarHBondContact O-CE2 3.47Å; F160-F179 HydrophobicContact CD1-CB 4.11Å; F160-F179 HydrophobicContact CE1-CB 3.46Å; F160-F179 VanDerWaalsContact CE1-CB 3.46Å; F160-F179 HydrophobicContact CE1-CD2 4.09Å; F160-F179 HydrophobicContact CE1-CG 4.16Å; F160-F179 HydrophobicContact CZ-CB 4.09Å; F160-F179 AromaticContact CZ-CD2 3.92Å; F160-F179 HydrophobicContact CZ-CD2 3.92Å; F160-F179 HydrophobicContact CZ-CG 4.3Å; F160-R182 HydrophobicContact CE1-CB 3.72Å; F160-R182 HydrophobicContact CZ-CB 4.49Å; F160-V183 HydrophobicContact CD1-CG2 4.07Å; F160-L206 WeakPolarHBondContact O-CD2 3.41Å; F160-M297 HydrophobicContact CB-CE 4.34Å; F160-M297 HydrophobicContact CB-SD 4.01Å; F160-M297 WeakPolarHBondContact O-CE 3.32Å; F160-A298 HydrophobicContact CB-CB 3.84Å; F160-K301 HydrophobicContact CD1-CB 3.76Å; F160-K301 HydrophobicContact CD1-CG 4.47Å; F160-K301 HydrophobicContact CD2-CB 3.78Å; F160-K301 HydrophobicContact CE1-CB 3.83Å; F160-K301 HydrophobicContact CE2-CB 3.86Å; F160-K301 VanDerWaalsContact CE2-O 3.32Å; F160-K301 WeakPolarHBondContact CE2-O 3.46Å; F160-K301 HydrophobicContact CG-CB 3.74Å; F160-K301 HydrophobicContact CZ-CB 3.89Å; F160-L302 HydrophobicContact CD2-CB 4.19Å; F160-L302 HydrophobicContact CE2-CB 4.45Å
161S98.2Very high98.3Very high2 Ų27.8 Ų7.81%0.0145%0.045CC..SBendtrans-122.9152.1-178.7-176.90000112.8Y163 Q164 A165S161-Y163 VanDerWaalsContact C-N 3.26Å; S161-Y163 PolarHBondContact O-N 3.17Å; S161-Y163 PolarHBondContact OG-N 3.46Å; S161-Q164 PolarHBondContact O-N 3.13Å; S161-A165 PolarHBondContact O-N 3.1Å
162F97.2Very high98.3Very high5 Ų511.8 Ų11.82%0.0226%0.06CC..Hα-helixtrans-59.9-35.7168.4-176-117.5000112A165 I166 R209 I210 Y213 Y277F162-A165 WeakPolarHBondContact O-CB 3.31Å; F162-A165 PolarHBondContact O-N 3.23Å; F162-A165 VanDerWaalsContact O-N 3.13Å; F162-I166 HydrophobicContact CD1-CD1 3.5Å; F162-I166 HydrophobicContact CD1-CG1 4.22Å; F162-I166 HydrophobicContact CE1-CD1 3.3Å; F162-I166 HydrophobicContact CE1-CG1 3.98Å; F162-I166 HydrophobicContact CE2-CG1 4.49Å; F162-I166 HydrophobicContact CG-CD1 4.29Å; F162-I166 HydrophobicContact CZ-CD1 3.92Å; F162-I166 HydrophobicContact CZ-CG1 4.1Å; F162-I166 WeakPolarHBondContact O-CG1 3.47Å; F162-I166 PolarHBondContact O-N 2.86Å; F162-R209 HydrophobicContact CD2-CG 3.98Å; F162-R209 HydrophobicContact CE2-CG 4.01Å; F162-I210 HydrophobicContact CD2-CG1 3.96Å; F162-Y213 HydrophobicContact CE2-CD1 4.03Å; F162-Y213 HydrophobicContact CE2-CD2 4.35Å; F162-Y213 AromaticContact CE2-CG 3.76Å; F162-Y213 HydrophobicContact CE2-CG 3.76Å; F162-Y213 AromaticContact CZ-CD1 3.9Å; F162-Y213 HydrophobicContact CZ-CD1 3.9Å; F162-Y213 AromaticContact CZ-CD2 3.66Å; F162-Y213 HydrophobicContact CZ-CD2 3.66Å; F162-Y213 HydrophobicContact CZ-CE1 4.42Å; F162-Y213 HydrophobicContact CZ-CE2 4.19Å; F162-Y213 AromaticContact CZ-CG 3.52Å; F162-Y213 HydrophobicContact CZ-CG 3.52Å; F162-Y277 HydrophobicContact CE1-CD1 4.46Å; F162-Y277 HydrophobicContact CE1-CG 4.33Å
163Y97.2Very high98.2Very high41 Ų4111.5 Ų11.516%0.1616%0.059CC..Hα-helixtrans-74.2-28.7-179.2-71.1-81.5000113.5S161 A165 I166 A167 Y277 L283 Q291S161-Y163 VanDerWaalsContact C-N 3.26Å; S161-Y163 PolarHBondContact O-N 3.17Å; S161-Y163 PolarHBondContact OG-N 3.46Å; Y163-A165 VanDerWaalsContact C-N 3.3Å; Y163-I166 HydrophobicContact CD1-CD1 3.96Å; Y163-I166 HydrophobicContact CE1-CD1 4.22Å; Y163-A167 VanDerWaalsContact O-CB 3.3Å; Y163-A167 WeakPolarHBondContact O-CB 3.18Å; Y163-A167 PolarHBondContact O-N 3.22Å; Y163-Y277 AromaticContact CE1-CD2 3.9Å; Y163-Y277 HydrophobicContact CE1-CD2 3.9Å; Y163-Y277 AromaticContact CE1-CE2 3.73Å; Y163-Y277 HydrophobicContact CE1-CE2 3.73Å; Y163-L283 HydrophobicContact CD1-CD1 4.48Å; Y163-L283 HydrophobicContact CD1-CD2 3.84Å; Y163-L283 HydrophobicContact CE1-CD2 4.44Å; Y163-Q291 HydrophobicContact CD1-CB 3.95Å; Y163-Q291 HydrophobicContact CD1-CG 3.79Å; Y163-Q291 HydrophobicContact CD2-CB 3.49Å; Y163-Q291 VanDerWaalsContact CD2-CB 3.49Å; Y163-Q291 HydrophobicContact CD2-CG 3.95Å; Y163-Q291 HydrophobicContact CE1-CB 4.23Å; Y163-Q291 HydrophobicContact CE1-CG 3.63Å; Y163-Q291 HydrophobicContact CE2-CB 3.8Å; Y163-Q291 HydrophobicContact CE2-CG 3.79Å; Y163-Q291 HydrophobicContact CG-CB 3.56Å; Y163-Q291 HydrophobicContact CG-CG 3.92Å; Y163-Q291 VanDerWaalsContact CZ-CD 3.42Å; Y163-Q291 VanDerWaalsContact CZ-OE1 3.3Å; Y163-Q291 PolarHBondContact OH-OE1 3.06Å
164Q98.7Very high98.2Very high0 Ų010.2 Ų10.20%06%0.055CC..Hα-helixtrans-60.3-43.2166-69.9174.9-64.100111S135 L158 M159 S161 C168 F288 M292S135-Q164 VanDerWaalsContact CB-NE2 3.29Å; S135-Q164 PolarHBondContact O-NE2 3.44Å; L158-Q164 PolarHBondContact O-NE2 3.27Å; M159-Q164 HydrophobicContact CE-CB 4.15Å; M159-Q164 HydrophobicContact CG-CB 4.01Å; S161-Q164 PolarHBondContact O-N 3.13Å; Q164-C168 WeakPolarHBondContact O-CB 3.2Å; Q164-C168 PolarHBondContact O-N 3.14Å; Q164-C168 PolarHBondContact O-SG 2.99Å; Q164-F288 HydrophobicContact CG-CE2 4.11Å; Q164-F288 HydrophobicContact CG-CZ 4.05Å; Q164-M292 HydrophobicContact CG-CE 4.2Å; Q164-M292 HydrophobicContact CG-SD 3.54Å; Q164-M292 VanDerWaalsContact CG-SD 3.54Å
165A98.5Very high98.2Very high0 Ų010.2 Ų10.20%06%0.055CC..Hα-helixtrans-65.2-50.8177.300000111.7M159 S161 F162 Y163 A167 C168 A169 I176 I210 Y214M159-A165 HydrophobicContact CE-CB 4.39Å; M159-A165 HydrophobicContact SD-CB 3.81Å; S161-A165 PolarHBondContact O-N 3.1Å; F162-A165 WeakPolarHBondContact O-CB 3.31Å; F162-A165 PolarHBondContact O-N 3.23Å; F162-A165 VanDerWaalsContact O-N 3.13Å; Y163-A165 VanDerWaalsContact C-N 3.3Å; A165-A167 VanDerWaalsContact C-N 3.31Å; A165-A167 PolarHBondContact O-N 2.71Å; A165-C168 WeakPolarHBondContact O-CA 3.33Å; A165-C168 WeakPolarHBondContact O-CB 3.2Å; A165-C168 PolarHBondContact O-N 3.04Å; A165-A169 PolarHBondContact O-N 3.3Å; A165-I176 HydrophobicContact CB-CD1 3.99Å; A165-I210 HydrophobicContact CB-CB 4.3Å; A165-I210 HydrophobicContact CB-CD1 3.79Å; A165-I210 HydrophobicContact CB-CG1 3.72Å; A165-I210 HydrophobicContact CB-CG2 3.58Å; A165-Y214 VanDerWaalsContact C-OH 3.29Å; A165-Y214 WeakPolarHBondContact CA-OH 3.15Å; A165-Y214 HydrophobicContact CB-CE1 4.16Å; A165-Y214 PolarHBondContact O-OH 2.94Å
166I96.9Very high98.2Very high0 Ų010.2 Ų10.20%06%0.055CC..Hα-helixtrans-55.9-47.8178.9-59.5161.6000110.8F162 Y163 C168 A169 Q170 Y213 Y277 L283F162-I166 HydrophobicContact CD1-CD1 3.5Å; F162-I166 HydrophobicContact CD1-CG1 4.22Å; F162-I166 HydrophobicContact CE1-CD1 3.3Å; F162-I166 HydrophobicContact CE1-CG1 3.98Å; F162-I166 HydrophobicContact CE2-CG1 4.49Å; F162-I166 HydrophobicContact CG-CD1 4.29Å; F162-I166 HydrophobicContact CZ-CD1 3.92Å; F162-I166 HydrophobicContact CZ-CG1 4.1Å; F162-I166 WeakPolarHBondContact O-CG1 3.47Å; F162-I166 PolarHBondContact O-N 2.86Å; Y163-I166 HydrophobicContact CD1-CD1 3.96Å; Y163-I166 HydrophobicContact CE1-CD1 4.22Å; I166-C168 VanDerWaalsContact C-N 3.29Å; I166-C168 PolarHBondContact O-N 3.21Å; I166-A169 PolarHBondContact O-N 3.42Å; I166-Q170 HydrophobicContact CG2-CG 4.22Å; I166-Q170 WeakPolarHBondContact O-CB 3.49Å; I166-Q170 WeakPolarHBondContact O-CG 3.46Å; I166-Q170 PolarHBondContact O-N 3.33Å; I166-Y213 HydrophobicContact CG1-CD1 4.25Å; I166-Y213 HydrophobicContact CG1-CE1 3.74Å; I166-Y213 HydrophobicContact CG2-CE1 4.37Å; I166-Y277 HydrophobicContact CD1-CD1 3.47Å; I166-Y277 VanDerWaalsContact CD1-CD1 3.47Å; I166-Y277 HydrophobicContact CD1-CD2 4.39Å; I166-Y277 HydrophobicContact CD1-CE1 3.49Å; I166-Y277 VanDerWaalsContact CD1-CE1 3.49Å; I166-Y277 HydrophobicContact CD1-CE2 4.39Å; I166-Y277 HydrophobicContact CD1-CG 3.95Å; I166-Y277 HydrophobicContact CG1-CD1 4.39Å; I166-Y277 HydrophobicContact CG1-CE1 4.26Å; I166-Y277 HydrophobicContact CG2-CE1 3.83Å; I166-L283 HydrophobicContact CB-CD1 3.67Å; I166-L283 HydrophobicContact CG2-CD1 3.33Å
167A98.1Very high98.2Very high6 Ų610.2 Ų10.25%0.056%0.055CC..Hα-helixtrans-60.4-39.2178.700000112.1I140 Y163 A165 A171 L283 F288I140-A167 HydrophobicContact CD1-CB 3.79Å; I140-A167 HydrophobicContact CG2-CB 4.42Å; Y163-A167 VanDerWaalsContact O-CB 3.3Å; Y163-A167 WeakPolarHBondContact O-CB 3.18Å; Y163-A167 PolarHBondContact O-N 3.22Å; A165-A167 VanDerWaalsContact C-N 3.31Å; A165-A167 PolarHBondContact O-N 2.71Å; A167-A171 WeakPolarHBondContact O-CB 3.18Å; A167-A171 PolarHBondContact O-N 2.92Å; A167-L283 HydrophobicContact CB-CD1 4.41Å; A167-F288 HydrophobicContact CB-CD2 3.9Å; A167-F288 HydrophobicContact CB-CE2 4.03Å
168C98.7Very high98.2Very high0 Ų010.2 Ų10.20%06%0.055CC..Hα-helixtrans-64.2-45.5174.2-72.30000112.8M159 Q164 A165 I166 A171 N172 V173 I176M159-C168 HydrophobicContact CE-CB 4.28Å; M159-C168 VanDerWaalsContact CE-SG 3.59Å; Q164-C168 WeakPolarHBondContact O-CB 3.2Å; Q164-C168 PolarHBondContact O-N 3.14Å; Q164-C168 PolarHBondContact O-SG 2.99Å; A165-C168 WeakPolarHBondContact O-CA 3.33Å; A165-C168 WeakPolarHBondContact O-CB 3.2Å; A165-C168 PolarHBondContact O-N 3.04Å; I166-C168 VanDerWaalsContact C-N 3.29Å; I166-C168 PolarHBondContact O-N 3.21Å; C168-A171 CarbonylContact O-C 3.58Å; C168-A171 PolarHBondContact O-N 3.07Å; C168-N172 PolarHBondContact O-N 2.85Å; C168-V173 HydrophobicContact CB-CG2 3.66Å; C168-V173 PolarHBondContact O-N 2.91Å; C168-I176 HydrophobicContact CB-CG2 3.49Å; C168-I176 VanDerWaalsContact CB-CG2 3.49Å
169A97.7Very high98.2Very high0 Ų010.7 Ų10.70%06%0.057CC..Hα-helixtrans-61.1-46176.900000112A165 I166 A171 N172 Y214 Y219A165-A169 PolarHBondContact O-N 3.3Å; I166-A169 PolarHBondContact O-N 3.42Å; A169-A171 PolarHBondContact O-N 3.05Å; A169-N172 PolarHBondContact O-N 3.28Å; A169-Y214 HydrophobicContact CB-CD1 4.29Å; A169-Y214 HydrophobicContact CB-CE1 3.55Å; A169-Y214 HydrophobicContact CB-CE2 4.4Å; A169-Y219 HydrophobicContact CB-CD1 3.72Å; A169-Y219 HydrophobicContact CB-CD2 3.87Å; A169-Y219 HydrophobicContact CB-CE1 4Å; A169-Y219 HydrophobicContact CB-CE2 4.15Å; A169-Y219 HydrophobicContact CB-CG 3.66Å
170Q97Very high98.2Very high11 Ų1110.8 Ų10.85%0.0516%0.057CC..Hα-helixtrans-63.3-31.8174.9-70.4-179.9-18.400112I166 N172 E281 Y282I166-Q170 HydrophobicContact CG2-CG 4.22Å; I166-Q170 WeakPolarHBondContact O-CB 3.49Å; I166-Q170 WeakPolarHBondContact O-CG 3.46Å; I166-Q170 PolarHBondContact O-N 3.33Å; Q170-N172 PolarHBondContact O-N 3.47Å; Q170-E281 PolarHBondContact NE2-O 3.27Å; Q170-Y282 HydrophobicContact CB-CD1 3.85Å; Q170-Y282 HydrophobicContact CB-CE1 3.89Å; Q170-Y282 WeakPolarHBondContact O-CE1 3.37Å
171A98.1Very high98.2Very high11 Ų1110.8 Ų10.89%0.0916%0.057CC..THydrogen-bonded Turntrans-76.7-1.8174.200000114I140 K144 A167 C168 A169 V173I140-A171 HydrophobicContact CG2-CB 3.76Å; K144-A171 HydrophobicContact CB-CB 4.09Å; K144-A171 HydrophobicContact CG-CB 4.41Å; A167-A171 WeakPolarHBondContact O-CB 3.18Å; A167-A171 PolarHBondContact O-N 2.92Å; C168-A171 CarbonylContact O-C 3.58Å; C168-A171 PolarHBondContact O-N 3.07Å; A169-A171 PolarHBondContact O-N 3.05Å; A171-V173 VanDerWaalsContact C-N 3.29Å; A171-V173 HydrophobicContact CB-CG1 4.06Å; A171-V173 PolarHBondContact O-N 2.81Å
172N98.1Very high98.2Very high110 Ų11012.3 Ų12.359%0.5886%0.063SC*.THydrogen-bonded Turntrans55.139.4-176-61.8-61.7000113.4C168 A169 Q170C168-N172 PolarHBondContact O-N 2.85Å; A169-N172 PolarHBondContact O-N 3.28Å; Q170-N172 PolarHBondContact O-N 3.47Å
173V98.6Very high98.3Very high2 Ų212.1 Ų12.11%0.0126%0.062CC..  trans-68.9147174.5-49.30000110.3A143 L156 C168 A171 I176 T221A143-V173 HydrophobicContact CB-CG1 3.73Å; L156-V173 HydrophobicContact CD2-CB 3.78Å; L156-V173 HydrophobicContact CD2-CG1 3.73Å; L156-V173 HydrophobicContact CD2-CG2 3.99Å; L156-V173 HydrophobicContact CG-CG1 4.21Å; L156-V173 HydrophobicContact CG-CG2 4.33Å; C168-V173 HydrophobicContact CB-CG2 3.66Å; C168-V173 PolarHBondContact O-N 2.91Å; A171-V173 VanDerWaalsContact C-N 3.29Å; A171-V173 HydrophobicContact CB-CG1 4.06Å; A171-V173 PolarHBondContact O-N 2.81Å; V173-I176 HydrophobicContact CG2-CG2 3.8Å; V173-T221 HydrophobicContact CG2-CG2 3.69Å; V173-T221 WeakPolarHBondContact O-CA 3.28Å; V173-T221 VanDerWaalsContact O-CB 3.28Å; V173-T221 WeakPolarHBondContact O-CB 3.38Å; V173-T221 VanDerWaalsContact O-CG2 3.28Å; V173-T221 WeakPolarHBondContact O-CG2 3.21Å; V173-T221 PolarHBondContact O-OG1 2.68Å
174T98.8Very high98.3Very high26 Ų2610.7 Ų10.716%0.166%0.057CC..SBendtrans-63.5-46-178.1-64.50000111.8L130 E147 H153 Q222L130-T174 HydrophobicContact CD2-CG2 4.04Å; E147-T174 VanDerWaalsContact CD-OG1 3.25Å; E147-T174 WeakPolarHBondContact OE1-CB 3.41Å; E147-T174 PolarHBondContact OE1-N 2.93Å; E147-T174 PolarHBondContact OE1-OG1 3.2Å; E147-T174 PolarHBondContact OE2-OG1 2.97Å; E147-T174 VanDerWaalsContact OE2-OG1 3.1Å; H153-T174 HydrophobicContact CB-CG2 4.27Å; H153-T174 PolarHBondContact ND1-OG1 3.4Å; T174-Q222 PolarHBondContact O-N 3.41Å
175L98.9Very high98.3Very high0 Ų013.4 Ų13.40%07%0.072CC..EExtended strand (participates in β ladder)trans-146.6145.9-171.1-172.9148.4000112.1L130 C154 N155 L156 Q222 M224 L242L130-L175 HydrophobicContact CD1-CD1 4.1Å; C154-L175 PolarHBondContact O-N 2.99Å; N155-L175 CarbonylContact C-O 3.44Å; N155-L175 WeakPolarHBondContact CA-O 3.17Å; N155-L175 HydrophobicContact CB-CD2 3.89Å; N155-L175 WeakPolarHBondContact OD1-CD2 3.23Å; L156-L175 PolarHBondContact N-O 3.42Å; L175-Q222 WeakPolarHBondContact CA-O 3.4Å; L175-Q222 HydrophobicContact CB-CB 4.36Å; L175-Q222 HydrophobicContact CD1-CB 4.2Å; L175-Q222 HydrophobicContact CG-CB 4.21Å; L175-M224 HydrophobicContact CD1-CB 4.21Å; L175-M224 HydrophobicContact CD1-SD 4.49Å; L175-M224 HydrophobicContact CD2-CB 3.81Å; L175-M224 HydrophobicContact CD2-CE 3.83Å; L175-M224 HydrophobicContact CG-CB 4.23Å; L175-L242 HydrophobicContact CD1-CD1 3.9Å; L175-L242 HydrophobicContact CD1-CD2 4.23Å
176I98.9Very high98.3Very high0 Ų014.9 Ų14.90%08%0.077CC..EExtended strand (participates in β ladder)trans-122.1148.3171.258.6159.5000111L156 M159 A165 C168 V173 P178 I210 Y214 T221 Q222 I223 M224L156-I176 HydrophobicContact CB-CG2 4.13Å; L156-I176 CarbonylContact O-C 3.59Å; M159-I176 HydrophobicContact CE-CB 3.55Å; M159-I176 HydrophobicContact CE-CD1 4Å; M159-I176 HydrophobicContact CE-CG1 4.39Å; M159-I176 HydrophobicContact CE-CG2 3.5Å; M159-I176 VanDerWaalsContact CE-CG2 3.5Å; M159-I176 HydrophobicContact SD-CB 3.86Å; M159-I176 HydrophobicContact SD-CD1 3.42Å; M159-I176 WeakPolarHBondContact SD-CD1 3.24Å; M159-I176 HydrophobicContact SD-CG1 4.18Å; M159-I176 HydrophobicContact SD-CG2 4.37Å; A165-I176 HydrophobicContact CB-CD1 3.99Å; C168-I176 HydrophobicContact CB-CG2 3.49Å; C168-I176 VanDerWaalsContact CB-CG2 3.49Å; V173-I176 HydrophobicContact CG2-CG2 3.8Å; I176-P178 WeakPolarHBondContact O-CD 3.25Å; I176-I210 HydrophobicContact CD1-CG2 3.76Å; I176-Y214 HydrophobicContact CD1-CE2 3.77Å; I176-Y214 VanDerWaalsContact CD1-OH 3.3Å; I176-Y214 WeakPolarHBondContact CD1-OH 3.3Å; I176-Y214 HydrophobicContact CG1-CE2 4.22Å; I176-T221 HydrophobicContact CB-CG2 4.42Å; I176-T221 HydrophobicContact CG1-CG2 4.13Å; I176-T221 HydrophobicContact CG2-CG2 3.69Å; I176-Q222 WeakPolarHBondContact CG1-O 3.3Å; I176-Q222 PolarHBondContact N-O 3.06Å; I176-I223 HydrophobicContact CD1-CG1 4.08Å; I176-I223 HydrophobicContact CG1-CG1 4.14Å; I176-M224 PolarHBondContact O-N 2.82Å
177S98.8Very high98.3Very high1 Ų118.6 Ų18.61%0.0079%0.092CC..EExtended strand (participates in β ladder)trans-123.280.4-179.8-62.90000112.4N155 L156 F179 M224N155-S177 PolarHBondContact ND2-OG 3.38Å; N155-S177 WeakPolarHBondContact OD1-CB 3.37Å; N155-S177 PolarHBondContact OD1-OG 2.97Å; L156-S177 PolarHBondContact O-N 2.64Å; S177-F179 WeakPolarHBondContact O-CD1 3.42Å; S177-M224 VanDerWaalsContact CA-O 3.29Å; S177-M224 WeakPolarHBondContact CA-O 3.48Å; S177-M224 VanDerWaalsContact OG-CE 3.26Å; S177-M224 WeakPolarHBondContact OG-CE 3.48Å
178P98.9Very high98.2Very high0 Ų020.8 Ų20.80%010%0.102CC..EExtended strand (participates in β ladder)trans-66.1133.3173.527.1-35000112.6M159 I176 V180 V207 I210 I223 M224 A226M159-P178 HydrophobicContact CB-CB 4.48Å; M159-P178 HydrophobicContact CG-CB 4.2Å; M159-P178 WeakPolarHBondContact O-CA 3.31Å; M159-P178 HydrophobicContact SD-CB 4.33Å; I176-P178 WeakPolarHBondContact O-CD 3.25Å; P178-V180 PolarHBondContact O-N 2.93Å; P178-V207 HydrophobicContact CB-CG2 3.76Å; P178-V207 HydrophobicContact CG-CG1 4.35Å; P178-V207 HydrophobicContact CG-CG2 3.55Å; P178-I210 HydrophobicContact CB-CD1 4.35Å; P178-I223 HydrophobicContact CG-CG2 3.98Å; P178-M224 WeakPolarHBondContact CD-O 3.46Å; P178-A226 PolarHBondContact O-N 2.77Å
179F98.7Very high98.1Very high10 Ų1024.9 Ų24.94%0.04414%0.136CC..BIsolated β-bridgetrans-95.884.5-171.1-85.222.6000112.3T157 L158 M159 F160 S177 G181 R182 V183 A226 F309T157-F179 WeakPolarHBondContact OG1-CE1 3.28Å; T157-F179 WeakPolarHBondContact OG1-CZ 3.42Å; L158-F179 HydrophobicContact CD2-CD2 4.16Å; L158-F179 HydrophobicContact CD2-CE2 3.65Å; L158-F179 HydrophobicContact CD2-CZ 4.28Å; M159-F179 PolarHBondContact O-N 2.85Å; F160-F179 HydrophobicContact CD1-CB 4.11Å; F160-F179 HydrophobicContact CE1-CB 3.46Å; F160-F179 VanDerWaalsContact CE1-CB 3.46Å; F160-F179 HydrophobicContact CE1-CD2 4.09Å; F160-F179 HydrophobicContact CE1-CG 4.16Å; F160-F179 HydrophobicContact CZ-CB 4.09Å; F160-F179 AromaticContact CZ-CD2 3.92Å; F160-F179 HydrophobicContact CZ-CD2 3.92Å; F160-F179 HydrophobicContact CZ-CG 4.3Å; S177-F179 WeakPolarHBondContact O-CD1 3.42Å; F179-G181 PolarHBondContact O-N 2.83Å; F179-R182 HydrophobicContact CB-CB 4.25Å; F179-R182 HydrophobicContact CD2-CG 4.33Å; F179-R182 PolarHBondContact O-N 3.34Å; F179-V183 WeakPolarHBondContact O-CG2 3.47Å; F179-V183 PolarHBondContact O-N 3.25Å; F179-A226 HydrophobicContact CD1-CB 3.84Å; F179-A226 HydrophobicContact CE1-CB 3.94Å; F179-F309 HydrophobicContact CE2-CZ 4.3Å; F179-F309 HydrophobicContact CZ-CZ 4.39Å
180V98.8Very high98.1Very high1 Ų129.8 Ų29.81%0.00616%0.158CC..Hα-helixtrans-54.4-56.6-174.5177.20000112.5P178 R182 V183 L184 V204 V207 A226 F228 Q233 L237P178-V180 PolarHBondContact O-N 2.93Å; V180-R182 VanDerWaalsContact C-N 3.35Å; V180-R182 PolarHBondContact O-N 2.85Å; V180-V183 WeakPolarHBondContact O-CB 3.46Å; V180-V183 PolarHBondContact O-N 3.3Å; V180-L184 PolarHBondContact O-N 3.2Å; V180-L184 VanDerWaalsContact O-N 3.13Å; V180-V204 HydrophobicContact CG1-CG2 4Å; V180-V207 HydrophobicContact CG2-CG2 3.58Å; V180-A226 PolarHBondContact N-O 2.98Å; V180-F228 HydrophobicContact CB-CD1 4.14Å; V180-F228 HydrophobicContact CB-CE1 4Å; V180-F228 HydrophobicContact CG1-CD1 4.27Å; V180-F228 HydrophobicContact CG1-CE1 4.28Å; V180-F228 HydrophobicContact CG2-CD1 4.47Å; V180-F228 HydrophobicContact CG2-CE1 3.83Å; V180-Q233 HydrophobicContact CG1-CB 3.96Å; V180-Q233 HydrophobicContact CG1-CG 3.91Å; V180-L237 HydrophobicContact CG2-CD1 3.85Å
181G98.2Very high98Very high0 Ų035 Ų350%018%0.181CC..Hα-helixtrans-70.5-27.7-174.700000114.3F179 L184 D185 S227F179-G181 PolarHBondContact O-N 2.83Å; G181-L184 WeakPolarHBondContact O-CB 3.43Å; G181-L184 PolarHBondContact O-N 3.4Å; G181-D185 PolarHBondContact O-N 3.08Å; G181-S227 WeakPolarHBondContact CA-O 3.4Å; G181-S227 PolarHBondContact N-O 2.79Å
182R98.2Very high97.7Very high34 Ų3436.9 Ų36.913%0.12820%0.203CC..Hα-helixtrans-73.7-28.5174.3-76.6-163-159.1174.12112.4F160 F179 V180 W186 R229 K301F160-R182 HydrophobicContact CE1-CB 3.72Å; F160-R182 HydrophobicContact CZ-CB 4.49Å; F179-R182 HydrophobicContact CB-CB 4.25Å; F179-R182 HydrophobicContact CD2-CG 4.33Å; F179-R182 PolarHBondContact O-N 3.34Å; V180-R182 VanDerWaalsContact C-N 3.35Å; V180-R182 PolarHBondContact O-N 2.85Å; R182-W186 PolarHBondContact O-N 3.49Å; R182-R229 VanDerWaalsContact CG-NH2 3.31Å; R182-K301 VanDerWaalsContact O-CE 3.25Å; R182-K301 WeakPolarHBondContact O-CE 3.48Å
183V98.5Very high97.6Very high1 Ų136.2 Ų36.21%0.00619%0.194CC..Hα-helixtrans-63.3-50.2167.6176.10000109.2F160 F179 V180 D185 W186 Y187 P202 L206 M297F160-V183 HydrophobicContact CD1-CG2 4.07Å; F179-V183 WeakPolarHBondContact O-CG2 3.47Å; F179-V183 PolarHBondContact O-N 3.25Å; V180-V183 WeakPolarHBondContact O-CB 3.46Å; V180-V183 PolarHBondContact O-N 3.3Å; V183-D185 VanDerWaalsContact C-N 3.33Å; V183-D185 PolarHBondContact O-N 3.04Å; V183-W186 WeakPolarHBondContact O-CB 3.2Å; V183-W186 PolarHBondContact O-N 3.36Å; V183-W186 VanDerWaalsContact O-N 3.1Å; V183-Y187 HydrophobicContact CG1-CD2 3.9Å; V183-Y187 HydrophobicContact CG1-CE2 3.87Å; V183-Y187 WeakPolarHBondContact O-CD2 3.47Å; V183-Y187 PolarHBondContact O-N 3.35Å; V183-Y187 VanDerWaalsContact O-N 3.14Å; V183-P202 HydrophobicContact CG1-CB 3.93Å; V183-P202 HydrophobicContact CG1-CG 4.13Å; V183-L206 HydrophobicContact CG2-CD2 3.98Å; V183-M297 HydrophobicContact CB-SD 4.3Å; V183-M297 HydrophobicContact CG1-CE 3.97Å; V183-M297 HydrophobicContact CG1-SD 4.15Å; V183-M297 HydrophobicContact CG2-CE 4.04Å; V183-M297 HydrophobicContact CG2-SD 3.88Å
184L98Very high97.2Very high11 Ų1144.2 Ų44.26%0.05823%0.229CC..Hα-helixtrans-54.2-47.8175.6178.267.7000112.1V180 G181 W186 Y187 I188 Y196 P202V180-L184 PolarHBondContact O-N 3.2Å; V180-L184 VanDerWaalsContact O-N 3.13Å; G181-L184 WeakPolarHBondContact O-CB 3.43Å; G181-L184 PolarHBondContact O-N 3.4Å; L184-W186 PolarHBondContact O-N 3.36Å; L184-Y187 PolarHBondContact O-N 3.05Å; L184-Y187 VanDerWaalsContact O-N 3.13Å; L184-I188 HydrophobicContact CD1-CD1 3.9Å; L184-I188 HydrophobicContact CD1-CG1 4.01Å; L184-I188 HydrophobicContact CD2-CD1 4.16Å; L184-I188 HydrophobicContact CG-CD1 3.71Å; L184-I188 HydrophobicContact CG-CG1 4.22Å; L184-I188 WeakPolarHBondContact O-CG1 3.41Å; L184-I188 PolarHBondContact O-N 2.99Å; L184-Y196 HydrophobicContact CD1-CD1 4.35Å; L184-Y196 HydrophobicContact CD1-CD2 3.33Å; L184-Y196 HydrophobicContact CD1-CE2 3.73Å; L184-Y196 HydrophobicContact CD1-CG 3.66Å; L184-P202 HydrophobicContact CD1-CG 4.4Å
185D97.8Very high96.9Very high57 Ų5751.1 Ų51.131%0.30526%0.26SS..Hα-helixtrans-55.1-39178.8-62.8-26.3000112.2G181 V183 A189 R229G181-D185 PolarHBondContact O-N 3.08Å; V183-D185 VanDerWaalsContact C-N 3.33Å; V183-D185 PolarHBondContact O-N 3.04Å; D185-A189 WeakPolarHBondContact O-CB 3.37Å; D185-A189 PolarHBondContact O-N 3.41Å; D185-R229 IonicContact OD1-NE 3.19Å; D185-R229 PolarHBondContact OD1-NE 3.41Å; D185-R229 IonicContact OD2-CZ 3.79Å; D185-R229 IonicContact OD2-NE 2.83Å; D185-R229 PolarHBondContact OD2-NE 3Å; D185-R229 IonicContact OD2-NH2 3.12Å; D185-R229 PolarHBondContact OD2-NH2 2.78Å
186W97.8Very high96.7Very high31 Ų3153 Ų5312%0.11727%0.267CS..Hα-helixtrans-66.7-48.9176.9-166.793.6000111.5R182 V183 L184 I188 A189 K190 H191 E296 M297 K301R182-W186 PolarHBondContact O-N 3.49Å; V183-W186 WeakPolarHBondContact O-CB 3.2Å; V183-W186 PolarHBondContact O-N 3.36Å; V183-W186 VanDerWaalsContact O-N 3.1Å; L184-W186 PolarHBondContact O-N 3.36Å; W186-I188 PolarHBondContact O-N 3.02Å; W186-A189 PolarHBondContact O-N 2.88Å; W186-A189 VanDerWaalsContact O-N 3.17Å; W186-K190 HydrophobicContact CD2-CB 4.33Å; W186-K190 HydrophobicContact CE3-CB 3.98Å; W186-K190 HydrophobicContact CE3-CG 4.44Å; W186-K190 HydrophobicContact CH2-CB 4.07Å; W186-K190 HydrophobicContact CH2-CD 3.96Å; W186-K190 HydrophobicContact CH2-CG 3.64Å; W186-K190 HydrophobicContact CZ2-CB 4.39Å; W186-K190 HydrophobicContact CZ2-CD 3.99Å; W186-K190 HydrophobicContact CZ2-CG 4.11Å; W186-K190 HydrophobicContact CZ3-CB 3.84Å; W186-K190 HydrophobicContact CZ3-CG 3.82Å; W186-K190 WeakPolarHBondContact O-CB 3.32Å; W186-K190 PolarHBondContact O-N 2.61Å; W186-H191 AromaticContact CZ3-NE2 3.94Å; W186-E296 HydrophobicContact CZ2-CB 4.15Å; W186-E296 HydrophobicContact CZ2-CG 3.92Å; W186-M297 HydrophobicContact CB-CG 3.68Å; W186-M297 HydrophobicContact CD2-CB 3.56Å; W186-M297 HydrophobicContact CD2-CG 3.43Å; W186-M297 VanDerWaalsContact CD2-CG 3.43Å; W186-M297 HydrophobicContact CE3-CB 3.67Å; W186-M297 HydrophobicContact CE3-CG 3.62Å; W186-M297 HydrophobicContact CG-CB 4.07Å; W186-M297 HydrophobicContact CG-CG 3.47Å; W186-M297 VanDerWaalsContact CG-CG 3.47Å; W186-M297 HydrophobicContact CH2-CB 4.07Å; W186-M297 HydrophobicContact CZ2-CB 3.99Å; W186-M297 HydrophobicContact CZ3-CB 3.92Å; W186-M297 HydrophobicContact CZ3-CG 4.36Å; W186-K301 HydrophobicContact CB-CD 4.45Å; W186-K301 HydrophobicContact CB-CG 4.26Å; W186-K301 HydrophobicContact CG-CG 4.4Å
187Y97.1Very high96.5Very high78 Ų7856.5 Ų56.531%0.30629%0.288SS..Hα-helixtrans-63.6-40.6-176.9-88.8-101.9000112.1V183 L184 K190 H191 P202 M297V183-Y187 HydrophobicContact CG1-CD2 3.9Å; V183-Y187 HydrophobicContact CG1-CE2 3.87Å; V183-Y187 WeakPolarHBondContact O-CD2 3.47Å; V183-Y187 PolarHBondContact O-N 3.35Å; V183-Y187 VanDerWaalsContact O-N 3.14Å; L184-Y187 PolarHBondContact O-N 3.05Å; L184-Y187 VanDerWaalsContact O-N 3.13Å; Y187-K190 PolarHBondContact O-N 3.01Å; Y187-H191 AromaticContact CD1-CD2 3.62Å; Y187-H191 AromaticContact CD1-NE2 3.93Å; Y187-H191 WeakPolarHBondContact O-CB 3.33Å; Y187-H191 PolarHBondContact O-N 3.35Å; Y187-P202 HydrophobicContact CD1-CB 4.11Å; Y187-P202 HydrophobicContact CD1-CG 4.15Å; Y187-P202 HydrophobicContact CD2-CB 3.78Å; Y187-P202 HydrophobicContact CD2-CG 3.73Å; Y187-P202 HydrophobicContact CE1-CB 4.14Å; Y187-P202 HydrophobicContact CE2-CB 3.82Å; Y187-P202 HydrophobicContact CE2-CG 4.3Å; Y187-P202 HydrophobicContact CG-CB 3.93Å; Y187-P202 HydrophobicContact CG-CG 3.64Å; Y187-M297 HydrophobicContact CD2-CG 4.45Å; Y187-M297 HydrophobicContact CE2-CE 4.49Å; Y187-M297 HydrophobicContact CE2-CG 4.17Å
188I97.1Very high96.3Very high53 Ų5357.8 Ų57.827%0.27229%0.293SS..Hα-helixtrans-60-48.3173.5-66.9173.5000110.2L184 W186 K190 G192 K193 K194 Y196L184-I188 HydrophobicContact CD1-CD1 3.9Å; L184-I188 HydrophobicContact CD1-CG1 4.01Å; L184-I188 HydrophobicContact CD2-CD1 4.16Å; L184-I188 HydrophobicContact CG-CD1 3.71Å; L184-I188 HydrophobicContact CG-CG1 4.22Å; L184-I188 WeakPolarHBondContact O-CG1 3.41Å; L184-I188 PolarHBondContact O-N 2.99Å; W186-I188 PolarHBondContact O-N 3.02Å; I188-K190 PolarHBondContact O-N 2.93Å; I188-G192 VanDerWaalsContact O-CA 3.31Å; I188-G192 WeakPolarHBondContact O-CA 3.42Å; I188-G192 PolarHBondContact O-N 3.02Å; I188-K193 WeakPolarHBondContact CG1-O 3.4Å; I188-K194 HydrophobicContact CG2-CG 4.46Å; I188-Y196 HydrophobicContact CG1-CD2 4.35Å; I188-Y196 HydrophobicContact CG1-CE2 3.88Å
189A96.9Very high96Very high86 Ų8664.5 Ų64.571%0.71132%0.324SS*.Hα-helixtrans-65.3-37.9-178.400000112.8D185 W186D185-A189 WeakPolarHBondContact O-CB 3.37Å; D185-A189 PolarHBondContact O-N 3.41Å; W186-A189 PolarHBondContact O-N 2.88Å; W186-A189 VanDerWaalsContact O-N 3.17Å
190K96.4Very high95.9Very high103 Ų10366.1 Ų66.145%0.44833%0.333SS..Hα-helixtrans-78.9-43.3-177.6-172.776.5170.9-164.20113.1W186 Y187 I188 E296W186-K190 HydrophobicContact CD2-CB 4.33Å; W186-K190 HydrophobicContact CE3-CB 3.98Å; W186-K190 HydrophobicContact CE3-CG 4.44Å; W186-K190 HydrophobicContact CH2-CB 4.07Å; W186-K190 HydrophobicContact CH2-CD 3.96Å; W186-K190 HydrophobicContact CH2-CG 3.64Å; W186-K190 HydrophobicContact CZ2-CB 4.39Å; W186-K190 HydrophobicContact CZ2-CD 3.99Å; W186-K190 HydrophobicContact CZ2-CG 4.11Å; W186-K190 HydrophobicContact CZ3-CB 3.84Å; W186-K190 HydrophobicContact CZ3-CG 3.82Å; W186-K190 WeakPolarHBondContact O-CB 3.32Å; W186-K190 PolarHBondContact O-N 2.61Å; Y187-K190 PolarHBondContact O-N 3.01Å; I188-K190 PolarHBondContact O-N 2.93Å; K190-E296 WeakPolarHBondContact CE-OE2 3.45Å; K190-E296 IonicContact NZ-OE1 3.66Å; K190-E296 PolarHBondContact NZ-OE1 2.95Å; K190-E296 IonicContact NZ-OE2 3.42Å; K190-E296 PolarHBondContact NZ-OE2 3.41Å
191H94.9Very high95.9Very high119 Ų11966.2 Ų66.255%0.55133%0.334SS*.Hα-helixtrans-108.7-11.3-169.5-58.1-64.1000114.2W186 Y187 K193W186-H191 AromaticContact CZ3-NE2 3.94Å; Y187-H191 AromaticContact CD1-CD2 3.62Å; Y187-H191 AromaticContact CD1-NE2 3.93Å; Y187-H191 WeakPolarHBondContact O-CB 3.33Å; Y187-H191 PolarHBondContact O-N 3.35Å; H191-K193 PolarHBondContact O-N 3.2Å; H191-K193 VanDerWaalsContact O-N 3.1Å
192G93.2Very high95.8Very high52 Ų5267 Ų6754%0.53634%0.339SS..  trans75.3-10176.100000115.9I188 K194I188-G192 VanDerWaalsContact O-CA 3.31Å; I188-G192 WeakPolarHBondContact O-CA 3.42Å; I188-G192 PolarHBondContact O-N 3.02Å; G192-K194 PolarHBondContact O-N 2.61Å
193K94.6Very high95.9Very high96 Ų9665.4 Ų65.442%0.41733%0.333SS..  trans-64125.8168.6178.2175.1170.1177.90108.6I188 H191 E195 Y196 D200I188-K193 WeakPolarHBondContact CG1-O 3.4Å; H191-K193 PolarHBondContact O-N 3.2Å; H191-K193 VanDerWaalsContact O-N 3.1Å; K193-E195 WeakPolarHBondContact CE-O 3.47Å; K193-Y196 HydrophobicContact CB-CE2 4.19Å; K193-Y196 HydrophobicContact CD-CE1 3.96Å; K193-Y196 HydrophobicContact CD-CE2 4.22Å; K193-Y196 HydrophobicContact CG-CD2 4.46Å; K193-Y196 HydrophobicContact CG-CE2 3.86Å; K193-Y196 WeakPolarHBondContact O-CE2 3.42Å; K193-D200 IonicContact NZ-OD2 3.57Å; K193-D200 PolarHBondContact NZ-OD2 2.78Å
194K90.5Very high95.9Very high170 Ų17065.6 Ų65.674%0.73933%0.334SS*.  trans-103.3-32.3-176-65.5-174.9179.9179.30113.9I188 G192I188-K194 HydrophobicContact CG2-CG 4.46Å; G192-K194 PolarHBondContact O-N 2.61Å
195E92.1Very high95.9Very high171 Ų17170.4 Ų70.480%0.79935%0.354SS*.  trans-97.3121.3-175.2-65.9-178.8178.300109.9K193K193-E195 WeakPolarHBondContact CE-O 3.47Å
196Y95.6Very high95.9Very high40 Ų4068.8 Ų68.816%0.15735%0.346CS..  trans-129.8135.6172.9-69.5-96.8000107.9L184 I188 K193 P202L184-Y196 HydrophobicContact CD1-CD1 4.35Å; L184-Y196 HydrophobicContact CD1-CD2 3.33Å; L184-Y196 HydrophobicContact CD1-CE2 3.73Å; L184-Y196 HydrophobicContact CD1-CG 3.66Å; I188-Y196 HydrophobicContact CG1-CD2 4.35Å; I188-Y196 HydrophobicContact CG1-CE2 3.88Å; K193-Y196 HydrophobicContact CB-CE2 4.19Å; K193-Y196 HydrophobicContact CD-CE1 3.96Å; K193-Y196 HydrophobicContact CD-CE2 4.22Å; K193-Y196 HydrophobicContact CG-CD2 4.46Å; K193-Y196 HydrophobicContact CG-CE2 3.86Å; K193-Y196 WeakPolarHBondContact O-CE2 3.42Å; Y196-P202 HydrophobicContact CE1-CG 4.46Å
197T95Very high95.9Very high73 Ų7367.3 Ų67.345%0.44834%0.34SS..  trans-86.8168.6169.970.80000109.8H199 D200 D201T197-H199 PolarHBondContact O-N 3.03Å; T197-H199 PolarHBondContact OG1-N 3.11Å; T197-D200 WeakPolarHBondContact CA-OD1 3.04Å; T197-D200 WeakPolarHBondContact CB-OD1 3.41Å; T197-D200 PolarHBondContact N-OD1 3.38Å; T197-D200 PolarHBondContact O-N 3.27Å; T197-D200 PolarHBondContact OG1-N 2.93Å; T197-D200 PolarHBondContact OG1-OD1 3.19Å; T197-D201 WeakPolarHBondContact O-CB 3.36Å; T197-D201 PolarHBondContact O-N 3.23Å
198R94.5Very high95.9Very high27 Ų2765.5 Ų65.510%0.10234%0.337CS..THydrogen-bonded Turntrans-58.9-14.9171.970.4178.470.2168.17.3114.6V204 E232 L235 E258R198-V204 WeakPolarHBondContact O-CG1 3.42Å; R198-E232 HydrophobicContact CB-CB 4.25Å; R198-E232 WeakPolarHBondContact CB-O 3.43Å; R198-E232 IonicContact CZ-OE1 3.29Å; R198-E232 IonicContact CZ-OE2 3.74Å; R198-E232 VanDerWaalsContact CZ-OE2 3.26Å; R198-E232 IonicContact NE-OE1 3.18Å; R198-E232 IonicContact NE-OE2 3.93Å; R198-E232 PolarHBondContact NE-OE2 3.33Å; R198-E232 IonicContact NH2-OE1 3.47Å; R198-E232 PolarHBondContact NH2-OE1 3.25Å; R198-E232 IonicContact NH2-OE2 2.77Å; R198-E232 PolarHBondContact NH2-OE2 3.36Å; R198-L235 VanDerWaalsContact NH1-CB 3.28Å; R198-E258 IonicContact CZ-OE1 3.65Å; R198-E258 IonicContact NH1-OE1 3.14Å; R198-E258 PolarHBondContact NH1-OE1 2.88Å; R198-E258 IonicContact NH2-OE1 2.7Å; R198-E258 PolarHBondContact NH2-OE1 3.27Å; R198-E258 IonicContact NH2-OE2 2.73Å; R198-E258 PolarHBondContact NH2-OE2 3.15Å
199H92.9Very high95.9Very high142 Ų14267.2 Ų67.266%0.65734%0.34SS*.THydrogen-bonded Turntrans-95.5-27.3-179-59.9-58.6000114.1T197 K205T197-H199 PolarHBondContact O-N 3.03Å; T197-H199 PolarHBondContact OG1-N 3.11Å; H199-K205 WeakPolarHBondContact O-CE 3.49Å
200D95.9Very high95.9Very high44 Ų4463.1 Ų63.124%0.23531%0.306CS..THydrogen-bonded Turntrans-113.4-2.5-17772.4-32.4000114.4K193 T197K193-D200 IonicContact NZ-OD2 3.57Å; K193-D200 PolarHBondContact NZ-OD2 2.78Å; T197-D200 WeakPolarHBondContact CA-OD1 3.04Å; T197-D200 WeakPolarHBondContact CB-OD1 3.41Å; T197-D200 PolarHBondContact N-OD1 3.38Å; T197-D200 PolarHBondContact O-N 3.27Å; T197-D200 PolarHBondContact OG1-N 2.93Å; T197-D200 PolarHBondContact OG1-OD1 3.19Å
201D98.1Very high96Very high3 Ų358.8 Ų58.82%0.01629%0.287CS..  trans-55.9124.2171.7-176.5-66.7000111.6T197 G203 V204 K205 Q233T197-D201 WeakPolarHBondContact O-CB 3.36Å; T197-D201 PolarHBondContact O-N 3.23Å; D201-G203 VanDerWaalsContact C-N 3.34Å; D201-G203 PolarHBondContact O-N 3.46Å; D201-G203 VanDerWaalsContact OD1-CA 3.31Å; D201-G203 WeakPolarHBondContact OD1-CA 3.4Å; D201-G203 PolarHBondContact OD1-N 2.83Å; D201-V204 HydrophobicContact CB-CB 4.01Å; D201-V204 HydrophobicContact CB-CG2 3.81Å; D201-V204 PolarHBondContact O-N 3.43Å; D201-V204 PolarHBondContact OD1-N 3.1Å; D201-K205 WeakPolarHBondContact O-CG 3.44Å; D201-K205 PolarHBondContact O-N 3.35Å; D201-Q233 WeakPolarHBondContact OD2-CG 3.42Å; D201-Q233 PolarHBondContact OD2-NE2 3.18Å
202P97.8Very high96.1Very high16 Ų1653.7 Ų53.710%0.10426%0.264CS..Hα-helixtrans-67.8-31.1-175.526.8-34.6000113.2V183 L184 Y187 Y196 L206V183-P202 HydrophobicContact CG1-CB 3.93Å; V183-P202 HydrophobicContact CG1-CG 4.13Å; L184-P202 HydrophobicContact CD1-CG 4.4Å; Y187-P202 HydrophobicContact CD1-CB 4.11Å; Y187-P202 HydrophobicContact CD1-CG 4.15Å; Y187-P202 HydrophobicContact CD2-CB 3.78Å; Y187-P202 HydrophobicContact CD2-CG 3.73Å; Y187-P202 HydrophobicContact CE1-CB 4.14Å; Y187-P202 HydrophobicContact CE2-CB 3.82Å; Y187-P202 HydrophobicContact CE2-CG 4.3Å; Y187-P202 HydrophobicContact CG-CB 3.93Å; Y187-P202 HydrophobicContact CG-CG 3.64Å; Y196-P202 HydrophobicContact CE1-CG 4.46Å; P202-L206 PolarHBondContact O-N 3.38Å
203G98.5Very high96.2Very high0 Ų051.3 Ų51.30%024%0.239CC..Hα-helixtrans-71.8-41.1175.700000111.8D201 L206 V207D201-G203 VanDerWaalsContact C-N 3.34Å; D201-G203 PolarHBondContact O-N 3.46Å; D201-G203 VanDerWaalsContact OD1-CA 3.31Å; D201-G203 WeakPolarHBondContact OD1-CA 3.4Å; D201-G203 PolarHBondContact OD1-N 2.83Å; G203-L206 WeakPolarHBondContact O-CB 3.42Å; G203-L206 PolarHBondContact O-N 3.2Å; G203-V207 WeakPolarHBondContact O-CG2 3.26Å; G203-V207 PolarHBondContact O-N 3.38Å; G203-V207 VanDerWaalsContact O-N 3.11Å
204V98.5Very high96.3Very high5 Ų546.7 Ų46.73%0.0322%0.219CC..Hα-helixtrans-61-47.9173.8174.80000109.7V180 R198 D201 L206 V207 T208 Q233 L237V180-V204 HydrophobicContact CG1-CG2 4Å; R198-V204 WeakPolarHBondContact O-CG1 3.42Å; D201-V204 HydrophobicContact CB-CB 4.01Å; D201-V204 HydrophobicContact CB-CG2 3.81Å; D201-V204 PolarHBondContact O-N 3.43Å; D201-V204 PolarHBondContact OD1-N 3.1Å; V204-L206 VanDerWaalsContact C-N 3.32Å; V204-L206 PolarHBondContact O-N 3.37Å; V204-V207 PolarHBondContact O-N 2.96Å; V204-V207 VanDerWaalsContact O-N 3.15Å; V204-T208 PolarHBondContact O-N 2.88Å; V204-T208 PolarHBondContact O-OG1 3.35Å; V204-Q233 HydrophobicContact CG2-CB 4.16Å; V204-Q233 HydrophobicContact CG2-CG 4.22Å; V204-L237 HydrophobicContact CG1-CD2 3.82Å; V204-L237 HydrophobicContact CG1-CG 4.12Å; V204-L237 HydrophobicContact CG2-CG 4.45Å
205K97.9Very high96.5Very high113 Ų11340.9 Ų40.949%0.49119%0.194SC..Hα-helixtrans-56.3-42.4175.9-77.5174.1170.6167.50113.1H199 D201 T208 R209H199-K205 WeakPolarHBondContact O-CE 3.49Å; D201-K205 WeakPolarHBondContact O-CG 3.44Å; D201-K205 PolarHBondContact O-N 3.35Å; K205-T208 PolarHBondContact O-N 3.13Å; K205-R209 WeakPolarHBondContact O-CB 3.21Å; K205-R209 PolarHBondContact O-N 3.21Å
206L98.3Very high96.5Very high23 Ų2335.2 Ų35.212%0.1217%0.17CC..Hα-helixtrans-58.9-50.3175.6173.165000111.2F160 V183 P202 G203 V204 T208 R209 I210F160-L206 WeakPolarHBondContact O-CD2 3.41Å; V183-L206 HydrophobicContact CG2-CD2 3.98Å; P202-L206 PolarHBondContact O-N 3.38Å; G203-L206 WeakPolarHBondContact O-CB 3.42Å; G203-L206 PolarHBondContact O-N 3.2Å; V204-L206 VanDerWaalsContact C-N 3.32Å; V204-L206 PolarHBondContact O-N 3.37Å; L206-T208 PolarHBondContact O-N 2.92Å; L206-R209 PolarHBondContact O-N 3.35Å; L206-I210 HydrophobicContact CD1-CD1 3.87Å; L206-I210 HydrophobicContact CD1-CG1 4.32Å; L206-I210 HydrophobicContact CG-CD1 3.9Å; L206-I210 VanDerWaalsContact O-CG1 3.32Å; L206-I210 WeakPolarHBondContact O-CG1 3.28Å; L206-I210 PolarHBondContact O-N 3.46Å
207V98.5Very high96.4Very high0 Ų036.7 Ų36.70%018%0.178CC..Hα-helixtrans-64.6-41.4-179.9179.90000111.4P178 V180 G203 V204 R209 I210 Y211 I223 L237P178-V207 HydrophobicContact CB-CG2 3.76Å; P178-V207 HydrophobicContact CG-CG1 4.35Å; P178-V207 HydrophobicContact CG-CG2 3.55Å; V180-V207 HydrophobicContact CG2-CG2 3.58Å; G203-V207 WeakPolarHBondContact O-CG2 3.26Å; G203-V207 PolarHBondContact O-N 3.38Å; G203-V207 VanDerWaalsContact O-N 3.11Å; V204-V207 PolarHBondContact O-N 2.96Å; V204-V207 VanDerWaalsContact O-N 3.15Å; V207-R209 VanDerWaalsContact C-N 3.34Å; V207-R209 PolarHBondContact O-N 3.45Å; V207-I210 PolarHBondContact O-N 2.93Å; V207-Y211 WeakPolarHBondContact O-CB 3.2Å; V207-Y211 PolarHBondContact O-N 2.8Å; V207-I223 HydrophobicContact CG1-CG2 3.95Å; V207-L237 HydrophobicContact CB-CD1 4.04Å; V207-L237 HydrophobicContact CB-CD2 3.78Å; V207-L237 HydrophobicContact CG1-CD1 3.98Å; V207-L237 HydrophobicContact CG1-CD2 3.75Å; V207-L237 HydrophobicContact CG2-CD1 4.23Å
208T97.7Very high96.3Very high40 Ų4035.1 Ų35.125%0.24518%0.177CC..Hα-helixtrans-58.8-44174.3-57.50000111.7V204 K205 L206 Y211 N212 L264V204-T208 PolarHBondContact O-N 2.88Å; V204-T208 PolarHBondContact O-OG1 3.35Å; K205-T208 PolarHBondContact O-N 3.13Å; L206-T208 PolarHBondContact O-N 2.92Å; T208-Y211 PolarHBondContact O-N 3.19Å; T208-N212 WeakPolarHBondContact O-CB 3.48Å; T208-N212 VanDerWaalsContact O-CG 3.24Å; T208-N212 PolarHBondContact O-N 3.23Å; T208-N212 PolarHBondContact O-OD1 3.17Å; T208-L264 HydrophobicContact CG2-CD2 3.78Å
209R96.8Very high96.4Very high89 Ų8936.3 Ų36.334%0.33618%0.182SC..Hα-helixtrans-60.8-47176.9-173.1-177.3-172.4-155-0.3111.4F162 K205 L206 V207 N212 Y213 D274F162-R209 HydrophobicContact CD2-CG 3.98Å; F162-R209 HydrophobicContact CE2-CG 4.01Å; K205-R209 WeakPolarHBondContact O-CB 3.21Å; K205-R209 PolarHBondContact O-N 3.21Å; L206-R209 PolarHBondContact O-N 3.35Å; V207-R209 VanDerWaalsContact C-N 3.34Å; V207-R209 PolarHBondContact O-N 3.45Å; R209-N212 PolarHBondContact O-N 3.27Å; R209-Y213 WeakPolarHBondContact O-CB 3.34Å; R209-Y213 PolarHBondContact O-N 3.17Å; R209-Y213 VanDerWaalsContact O-N 3.07Å; R209-D274 IonicContact CZ-OD2 3.41Å; R209-D274 IonicContact NE-OD2 3.2Å; R209-D274 PolarHBondContact NE-OD2 3.25Å; R209-D274 VanDerWaalsContact NE-OD2 3.12Å; R209-D274 IonicContact NH2-OD2 2.71Å; R209-D274 PolarHBondContact NH2-OD2 2.65Å
210I97.5Very high96.6Very high0 Ų038.2 Ų38.20%019%0.188CC..Hα-helixtrans-62-46.6178-64.8164000110.6M159 F162 A165 I176 P178 L206 V207 N212 Y213 Y214 I223M159-I210 HydrophobicContact SD-CD1 4.37Å; F162-I210 HydrophobicContact CD2-CG1 3.96Å; A165-I210 HydrophobicContact CB-CB 4.3Å; A165-I210 HydrophobicContact CB-CD1 3.79Å; A165-I210 HydrophobicContact CB-CG1 3.72Å; A165-I210 HydrophobicContact CB-CG2 3.58Å; I176-I210 HydrophobicContact CD1-CG2 3.76Å; P178-I210 HydrophobicContact CB-CD1 4.35Å; L206-I210 HydrophobicContact CD1-CD1 3.87Å; L206-I210 HydrophobicContact CD1-CG1 4.32Å; L206-I210 HydrophobicContact CG-CD1 3.9Å; L206-I210 VanDerWaalsContact O-CG1 3.32Å; L206-I210 WeakPolarHBondContact O-CG1 3.28Å; L206-I210 PolarHBondContact O-N 3.46Å; V207-I210 PolarHBondContact O-N 2.93Å; I210-N212 PolarHBondContact O-N 2.93Å; I210-Y213 PolarHBondContact O-N 2.88Å; I210-Y214 HydrophobicContact CG2-CD1 4.15Å; I210-Y214 HydrophobicContact CG2-CE1 3.9Å; I210-Y214 HydrophobicContact CG2-CE2 4.28Å; I210-Y214 HydrophobicContact CG2-CG 4.44Å; I210-Y214 WeakPolarHBondContact O-CB 3.49Å; I210-Y214 WeakPolarHBondContact O-CD1 3.24Å; I210-Y214 PolarHBondContact O-N 3.45Å; I210-I223 HydrophobicContact CG2-CD1 3.81Å; I210-I223 HydrophobicContact CG2-CG1 4.33Å
211Y97.8Very high96.7Very high12 Ų1236.3 Ų36.35%0.04718%0.178CC..Hα-helixtrans-57.6-51.9178.4-177.3-80.8000111.5V207 T208 Y213 Y214 K215 I223 G239 L264 A269V207-Y211 WeakPolarHBondContact O-CB 3.2Å; V207-Y211 PolarHBondContact O-N 2.8Å; T208-Y211 PolarHBondContact O-N 3.19Å; Y211-Y213 VanDerWaalsContact C-N 3.31Å; Y211-Y213 PolarHBondContact O-N 3.35Å; Y211-Y214 PolarHBondContact O-N 2.95Å; Y211-K215 HydrophobicContact CD1-CG 3.89Å; Y211-K215 HydrophobicContact CE1-CD 4.41Å; Y211-K215 HydrophobicContact CE1-CG 3.5Å; Y211-K215 HydrophobicContact CE2-CD 4.44Å; Y211-K215 HydrophobicContact CE2-CG 4.34Å; Y211-K215 HydrophobicContact CG-CG 4.42Å; Y211-K215 VanDerWaalsContact CZ-CE 3.43Å; Y211-K215 WeakPolarHBondContact O-CG 3.27Å; Y211-K215 PolarHBondContact O-N 3.02Å; Y211-I223 HydrophobicContact CD2-CD1 4.12Å; Y211-I223 HydrophobicContact CG-CD1 4.37Å; Y211-G239 WeakPolarHBondContact CE2-O 3.38Å; Y211-G239 PolarHBondContact OH-O 3.1Å; Y211-L264 HydrophobicContact CD1-CB 4.04Å; Y211-L264 HydrophobicContact CD1-CD2 4.16Å; Y211-L264 HydrophobicContact CD1-CG 4.48Å; Y211-L264 HydrophobicContact CD2-CB 4.3Å; Y211-L264 HydrophobicContact CD2-CD1 4.01Å; Y211-L264 HydrophobicContact CE1-CB 3.87Å; Y211-L264 HydrophobicContact CE2-CB 4.1Å; Y211-L264 HydrophobicContact CE2-CD1 4.49Å; Y211-L264 HydrophobicContact CG-CB 4.27Å; Y211-L264 HydrophobicContact CG-CD1 4.03Å; Y211-L264 HydrophobicContact CG-CD2 4.29Å; Y211-L264 HydrophobicContact CG-CG 4.43Å; Y211-A269 HydrophobicContact CE1-CB 4.43Å
212N96.3Very high96.7Very high11 Ų1139 Ų396%0.05919%0.19CC..Hα-helixtrans-59.4-45.8-178.4-68.8-8.2000111.1T208 R209 I210 Y214 K215 V216 A269 S272 C273T208-N212 WeakPolarHBondContact O-CB 3.48Å; T208-N212 VanDerWaalsContact O-CG 3.24Å; T208-N212 PolarHBondContact O-N 3.23Å; T208-N212 PolarHBondContact O-OD1 3.17Å; R209-N212 PolarHBondContact O-N 3.27Å; I210-N212 PolarHBondContact O-N 2.93Å; N212-Y214 PolarHBondContact O-N 2.84Å; N212-K215 PolarHBondContact O-N 2.66Å; N212-V216 WeakPolarHBondContact O-CB 3.47Å; N212-V216 WeakPolarHBondContact O-CG2 3.42Å; N212-V216 PolarHBondContact O-N 2.95Å; N212-A269 HydrophobicContact CB-CB 4.13Å; N212-A269 WeakPolarHBondContact OD1-CA 3.41Å; N212-S272 PolarHBondContact ND2-O 2.98Å; N212-C273 HydrophobicContact CB-CB 4.4Å
213Y95.3Very high96.8Very high2 Ų238.2 Ų38.21%0.00819%0.185CC..Hα-helixtrans-59.4-47.1176.9-177.7-103.5000112F162 I166 R209 I210 Y211 K215 V216 H217 Y219 Y277F162-Y213 HydrophobicContact CE2-CD1 4.03Å; F162-Y213 HydrophobicContact CE2-CD2 4.35Å; F162-Y213 AromaticContact CE2-CG 3.76Å; F162-Y213 HydrophobicContact CE2-CG 3.76Å; F162-Y213 AromaticContact CZ-CD1 3.9Å; F162-Y213 HydrophobicContact CZ-CD1 3.9Å; F162-Y213 AromaticContact CZ-CD2 3.66Å; F162-Y213 HydrophobicContact CZ-CD2 3.66Å; F162-Y213 HydrophobicContact CZ-CE1 4.42Å; F162-Y213 HydrophobicContact CZ-CE2 4.19Å; F162-Y213 AromaticContact CZ-CG 3.52Å; F162-Y213 HydrophobicContact CZ-CG 3.52Å; I166-Y213 HydrophobicContact CG1-CD1 4.25Å; I166-Y213 HydrophobicContact CG1-CE1 3.74Å; I166-Y213 HydrophobicContact CG2-CE1 4.37Å; R209-Y213 WeakPolarHBondContact O-CB 3.34Å; R209-Y213 PolarHBondContact O-N 3.17Å; R209-Y213 VanDerWaalsContact O-N 3.07Å; I210-Y213 PolarHBondContact O-N 2.88Å; Y211-Y213 VanDerWaalsContact C-N 3.31Å; Y211-Y213 PolarHBondContact O-N 3.35Å; Y213-K215 PolarHBondContact O-N 2.91Å; Y213-V216 PolarHBondContact O-N 3.11Å; Y213-H217 AromaticContact CD2-CE1 3.31Å; Y213-H217 WeakPolarHBondContact CD2-CE1 3.34Å; Y213-H217 AromaticContact CD2-ND1 3.41Å; Y213-H217 WeakPolarHBondContact CD2-ND1 3.15Å; Y213-H217 AromaticContact CE2-CE1 3.14Å; Y213-H217 WeakPolarHBondContact CE2-CE1 3.35Å; Y213-H217 AromaticContact CE2-ND1 3.41Å; Y213-H217 WeakPolarHBondContact CE2-ND1 3.35Å; Y213-H217 AromaticContact CE2-NE2 3.66Å; Y213-H217 AromaticContact CG-ND1 3.91Å; Y213-H217 AromaticContact CZ-CE1 3.97Å; Y213-H217 AromaticContact CZ-ND1 3.9Å; Y213-H217 PolarHBondContact O-N 3.04Å; Y213-H217 VanDerWaalsContact O-N 3.07Å; Y213-H217 PolarHBondContact O-ND1 2.83Å; Y213-Y219 HydrophobicContact CD1-CE2 4.33Å; Y213-Y219 HydrophobicContact CE1-CD2 4.23Å; Y213-Y219 AromaticContact CE1-CE2 3.61Å; Y213-Y219 HydrophobicContact CE1-CE2 3.61Å; Y213-Y277 HydrophobicContact CE2-CD1 4.05Å; Y213-Y277 WeakPolarHBondContact CE2-O 3.48Å; Y213-Y277 AromaticContact CZ-CD1 3.95Å
214Y96Very high96.8Very high0 Ų038.4 Ų38.40%019%0.186CC..Hα-helixtrans-61.3-45.8179.4-82.821.7000112.8A165 A169 I176 I210 Y211 N212 G218 Y219 T221 I223A165-Y214 VanDerWaalsContact C-OH 3.29Å; A165-Y214 WeakPolarHBondContact CA-OH 3.15Å; A165-Y214 HydrophobicContact CB-CE1 4.16Å; A165-Y214 PolarHBondContact O-OH 2.94Å; A169-Y214 HydrophobicContact CB-CD1 4.29Å; A169-Y214 HydrophobicContact CB-CE1 3.55Å; A169-Y214 HydrophobicContact CB-CE2 4.4Å; I176-Y214 HydrophobicContact CD1-CE2 3.77Å; I176-Y214 VanDerWaalsContact CD1-OH 3.3Å; I176-Y214 WeakPolarHBondContact CD1-OH 3.3Å; I176-Y214 HydrophobicContact CG1-CE2 4.22Å; I210-Y214 HydrophobicContact CG2-CD1 4.15Å; I210-Y214 HydrophobicContact CG2-CE1 3.9Å; I210-Y214 HydrophobicContact CG2-CE2 4.28Å; I210-Y214 HydrophobicContact CG2-CG 4.44Å; I210-Y214 WeakPolarHBondContact O-CB 3.49Å; I210-Y214 WeakPolarHBondContact O-CD1 3.24Å; I210-Y214 PolarHBondContact O-N 3.45Å; Y211-Y214 PolarHBondContact O-N 2.95Å; N212-Y214 PolarHBondContact O-N 2.84Å; Y214-G218 PolarHBondContact O-N 2.91Å; Y214-Y219 HydrophobicContact CD1-CD2 4.05Å; Y214-Y219 PolarHBondContact O-N 3.33Å; Y214-T221 WeakPolarHBondContact CD2-O 3.44Å; Y214-T221 HydrophobicContact CE2-CG2 3.73Å; Y214-I223 HydrophobicContact CD2-CD1 3.7Å; Y214-I223 HydrophobicContact CD2-CG1 3.74Å; Y214-I223 HydrophobicContact CE2-CD1 4.24Å; Y214-I223 HydrophobicContact CE2-CG1 3.91Å; Y214-I223 HydrophobicContact CG-CD1 4.16Å
215K94.9Very high96.8Very high48 Ų4838.1 Ų38.121%0.20919%0.185CC..Hα-helixtrans-69.9-36.8-177.9-57.3-45.2171.7-174.50111.9Y211 N212 Y213 G218 D241 I266 A269Y211-K215 HydrophobicContact CD1-CG 3.89Å; Y211-K215 HydrophobicContact CE1-CD 4.41Å; Y211-K215 HydrophobicContact CE1-CG 3.5Å; Y211-K215 HydrophobicContact CE2-CD 4.44Å; Y211-K215 HydrophobicContact CE2-CG 4.34Å; Y211-K215 HydrophobicContact CG-CG 4.42Å; Y211-K215 VanDerWaalsContact CZ-CE 3.43Å; Y211-K215 WeakPolarHBondContact O-CG 3.27Å; Y211-K215 PolarHBondContact O-N 3.02Å; N212-K215 PolarHBondContact O-N 2.66Å; Y213-K215 PolarHBondContact O-N 2.91Å; K215-G218 PolarHBondContact O-N 3.14Å; K215-D241 IonicContact NZ-OD1 3.02Å; K215-D241 PolarHBondContact NZ-OD1 3.29Å; K215-D241 IonicContact NZ-OD2 3.26Å; K215-D241 PolarHBondContact NZ-OD2 3.34Å; K215-I266 HydrophobicContact CG-CG1 4.43Å; K215-A269 HydrophobicContact CB-CB 3.87Å; K215-A269 HydrophobicContact CG-CB 4.44Å
216V93Very high96.8Very high51 Ų5132.9 Ų32.931%0.30916%0.163SC..Hα-helixtrans-67.4-39176.9167.80000112.4N212 Y213 A269 C273N212-V216 WeakPolarHBondContact O-CB 3.47Å; N212-V216 WeakPolarHBondContact O-CG2 3.42Å; N212-V216 PolarHBondContact O-N 2.95Å; Y213-V216 PolarHBondContact O-N 3.11Å; V216-A269 HydrophobicContact CG2-CB 4.48Å; V216-C273 HydrophobicContact CB-CB 4.39Å; V216-C273 HydrophobicContact CG2-CB 3.68Å
217H92.7Very high96.8Very high71 Ų7132.6 Ų32.633%0.32916%0.162SC..THydrogen-bonded Turntrans-91.32.4-179.1-61.880.6000113.4Y213 Y219Y213-H217 AromaticContact CD2-CE1 3.31Å; Y213-H217 WeakPolarHBondContact CD2-CE1 3.34Å; Y213-H217 AromaticContact CD2-ND1 3.41Å; Y213-H217 WeakPolarHBondContact CD2-ND1 3.15Å; Y213-H217 AromaticContact CE2-CE1 3.14Å; Y213-H217 WeakPolarHBondContact CE2-CE1 3.35Å; Y213-H217 AromaticContact CE2-ND1 3.41Å; Y213-H217 WeakPolarHBondContact CE2-ND1 3.35Å; Y213-H217 AromaticContact CE2-NE2 3.66Å; Y213-H217 AromaticContact CG-ND1 3.91Å; Y213-H217 AromaticContact CZ-CE1 3.97Å; Y213-H217 AromaticContact CZ-ND1 3.9Å; Y213-H217 PolarHBondContact O-N 3.04Å; Y213-H217 VanDerWaalsContact O-N 3.07Å; Y213-H217 PolarHBondContact O-ND1 2.83Å; H217-Y219 VanDerWaalsContact C-N 3.3Å; H217-Y219 HydrophobicContact CB-CD2 3.77Å; H217-Y219 HydrophobicContact CB-CE2 3.6Å; H217-Y219 PolarHBondContact O-N 3.13Å
218G93.6Very high96.8Very high40 Ų4033.4 Ų33.441%0.41217%0.166SC..THydrogen-bonded Turntrans72.416.1174.600000115.4Y214 K215 K220Y214-G218 PolarHBondContact O-N 2.91Å; K215-G218 PolarHBondContact O-N 3.14Å; G218-K220 WeakPolarHBondContact O-CE 3.37Å
219Y96Very high96.8Very high53 Ų5336.2 Ų36.221%0.20817%0.172CC..  trans-61.6139.5177.6-70-61.5000111.5A169 Y213 Y214 H217A169-Y219 HydrophobicContact CB-CD1 3.72Å; A169-Y219 HydrophobicContact CB-CD2 3.87Å; A169-Y219 HydrophobicContact CB-CE1 4Å; A169-Y219 HydrophobicContact CB-CE2 4.15Å; A169-Y219 HydrophobicContact CB-CG 3.66Å; Y213-Y219 HydrophobicContact CD1-CE2 4.33Å; Y213-Y219 HydrophobicContact CE1-CD2 4.23Å; Y213-Y219 AromaticContact CE1-CE2 3.61Å; Y213-Y219 HydrophobicContact CE1-CE2 3.61Å; Y214-Y219 HydrophobicContact CD1-CD2 4.05Å; Y214-Y219 PolarHBondContact O-N 3.33Å; H217-Y219 VanDerWaalsContact C-N 3.3Å; H217-Y219 HydrophobicContact CB-CD2 3.77Å; H217-Y219 HydrophobicContact CB-CE2 3.6Å; H217-Y219 PolarHBondContact O-N 3.13Å
220K97.4Very high96.9Very high182 Ų18234.4 Ų34.479%0.79117%0.169SC*.  trans-92.9-14.1-176.6-55.5-53.6178.1-168.30113.9G218 Q222G218-K220 WeakPolarHBondContact O-CE 3.37Å; K220-Q222 PolarHBondContact O-N 3.44Å
221T98.7Very high96.9Very high4 Ų434.8 Ų34.83%0.02517%0.171CC..  trans-54.7123.6174.8-58.40000110.4V173 I176 Y214V173-T221 HydrophobicContact CG2-CG2 3.69Å; V173-T221 WeakPolarHBondContact O-CA 3.28Å; V173-T221 VanDerWaalsContact O-CB 3.28Å; V173-T221 WeakPolarHBondContact O-CB 3.38Å; V173-T221 VanDerWaalsContact O-CG2 3.28Å; V173-T221 WeakPolarHBondContact O-CG2 3.21Å; V173-T221 PolarHBondContact O-OG1 2.68Å; I176-T221 HydrophobicContact CB-CG2 4.42Å; I176-T221 HydrophobicContact CG1-CG2 4.13Å; I176-T221 HydrophobicContact CG2-CG2 3.69Å; Y214-T221 WeakPolarHBondContact CD2-O 3.44Å; Y214-T221 HydrophobicContact CE2-CG2 3.73Å
222Q98.7Very high96.9Very high59 Ų5937.3 Ų37.328%0.27618%0.183SC..EExtended strand (participates in β ladder)trans-77.2145179.1-58.2-179-51.800110.5T174 L175 I176 K220 D241 L242T174-Q222 PolarHBondContact O-N 3.41Å; L175-Q222 WeakPolarHBondContact CA-O 3.4Å; L175-Q222 HydrophobicContact CB-CB 4.36Å; L175-Q222 HydrophobicContact CD1-CB 4.2Å; L175-Q222 HydrophobicContact CG-CB 4.21Å; I176-Q222 WeakPolarHBondContact CG1-O 3.3Å; I176-Q222 PolarHBondContact N-O 3.06Å; K220-Q222 PolarHBondContact O-N 3.44Å; Q222-D241 HydrophobicContact CB-CB 4.38Å; Q222-L242 HydrophobicContact CB-CD1 3.79Å; Q222-L242 HydrophobicContact CG-CD1 4.44Å
223I98.8Very high97Very high0 Ų036.8 Ų36.80%018%0.181CC..EExtended strand (participates in β ladder)trans-106119.2176.4-55.5168.1000109.8I176 P178 V207 I210 Y211 Y214 C240 D241 L242I176-I223 HydrophobicContact CD1-CG1 4.08Å; I176-I223 HydrophobicContact CG1-CG1 4.14Å; P178-I223 HydrophobicContact CG-CG2 3.98Å; V207-I223 HydrophobicContact CG1-CG2 3.95Å; I210-I223 HydrophobicContact CG2-CD1 3.81Å; I210-I223 HydrophobicContact CG2-CG1 4.33Å; Y211-I223 HydrophobicContact CD2-CD1 4.12Å; Y211-I223 HydrophobicContact CG-CD1 4.37Å; Y214-I223 HydrophobicContact CD2-CD1 3.7Å; Y214-I223 HydrophobicContact CD2-CG1 3.74Å; Y214-I223 HydrophobicContact CE2-CD1 4.24Å; Y214-I223 HydrophobicContact CE2-CG1 3.91Å; Y214-I223 HydrophobicContact CG-CD1 4.16Å; I223-C240 PolarHBondContact O-SG 2.74Å; I223-D241 PolarHBondContact N-OD2 2.93Å; I223-L242 PolarHBondContact O-N 3.07Å
224M98.8Very high97.1Very high3 Ų336.7 Ų36.72%0.01518%0.18CC..EExtended strand (participates in β ladder)trans-109.696.1172.8-171.9163.968.600110.9V15 T33 N155 L175 I176 S177 P178 A226 L242 T244V15-M224 HydrophobicContact CB-SD 3.99Å; V15-M224 HydrophobicContact CG1-SD 3.88Å; V15-M224 HydrophobicContact CG2-SD 3.75Å; T33-M224 WeakPolarHBondContact OG1-CE 3.49Å; N155-M224 WeakPolarHBondContact ND2-CE 3.37Å; L175-M224 HydrophobicContact CD1-CB 4.21Å; L175-M224 HydrophobicContact CD1-SD 4.49Å; L175-M224 HydrophobicContact CD2-CB 3.81Å; L175-M224 HydrophobicContact CD2-CE 3.83Å; L175-M224 HydrophobicContact CG-CB 4.23Å; I176-M224 PolarHBondContact O-N 2.82Å; S177-M224 VanDerWaalsContact CA-O 3.29Å; S177-M224 WeakPolarHBondContact CA-O 3.48Å; S177-M224 VanDerWaalsContact OG-CE 3.26Å; S177-M224 WeakPolarHBondContact OG-CE 3.48Å; P178-M224 WeakPolarHBondContact CD-O 3.46Å; M224-A226 PolarHBondContact O-N 3.1Å; M224-L242 VanDerWaalsContact CA-O 3.27Å; M224-L242 WeakPolarHBondContact CA-O 3.37Å; M224-L242 HydrophobicContact CB-CB 3.89Å; M224-L242 HydrophobicContact CG-CB 3.72Å; M224-L242 HydrophobicContact SD-CB 4.13Å; M224-L242 HydrophobicContact SD-CD2 4.48Å; M224-T244 HydrophobicContact CE-CG2 4.09Å; M224-T244 HydrophobicContact CG-CG2 4.08Å; M224-T244 HydrophobicContact SD-CG2 4.22Å
225G98.7Very high97.3Very high0 Ų036.7 Ų36.70%018%0.18CC..EExtended strand (participates in β ladder)trans-58.3135.9173.200000110.5F228 L242 L243 T244G225-F228 VanDerWaalsContact O-CE2 3.22Å; G225-F228 WeakPolarHBondContact O-CE2 2.87Å; G225-F228 WeakPolarHBondContact O-CZ 3.41Å; G225-L242 PolarHBondContact N-O 2.66Å; G225-L242 VanDerWaalsContact N-O 3.08Å; G225-L243 WeakPolarHBondContact O-CA 3.47Å; G225-T244 PolarHBondContact O-N 3.08Å
226A98.6Very high97.4Very high3 Ų334.7 Ų34.73%0.02517%0.173CC..BIsolated β-bridgetrans-142.1171.6-170.900000113P178 F179 V180 M224 F228 T244P178-A226 PolarHBondContact O-N 2.77Å; F179-A226 HydrophobicContact CD1-CB 3.84Å; F179-A226 HydrophobicContact CE1-CB 3.94Å; V180-A226 PolarHBondContact N-O 2.98Å; M224-A226 PolarHBondContact O-N 3.1Å; A226-F228 PolarHBondContact O-N 3.31Å; A226-T244 HydrophobicContact CB-CG2 3.42Å; A226-T244 VanDerWaalsContact CB-CG2 3.42Å
227S97.9Very high97.7Very high17 Ų1732.2 Ų32.212%0.11916%0.158CC..  trans61.140.9172.1-161.20000113.3G181 R229G181-S227 WeakPolarHBondContact CA-O 3.4Å; G181-S227 PolarHBondContact N-O 2.79Å; S227-R229 PolarHBondContact O-NH1 2.9Å; S227-R229 PolarHBondContact OG-NH1 3.2Å
228F98.6Very high97.9Very high16 Ų1628.9 Ų28.97%0.0714%0.143CC..  trans-65.7152.1179.2-58.1-68.5000112.8V180 G225 A226 Q233 I234 L237 L243 T244 I245 L249V180-F228 HydrophobicContact CB-CD1 4.14Å; V180-F228 HydrophobicContact CB-CE1 4Å; V180-F228 HydrophobicContact CG1-CD1 4.27Å; V180-F228 HydrophobicContact CG1-CE1 4.28Å; V180-F228 HydrophobicContact CG2-CD1 4.47Å; V180-F228 HydrophobicContact CG2-CE1 3.83Å; G225-F228 VanDerWaalsContact O-CE2 3.22Å; G225-F228 WeakPolarHBondContact O-CE2 2.87Å; G225-F228 WeakPolarHBondContact O-CZ 3.41Å; A226-F228 PolarHBondContact O-N 3.31Å; F228-Q233 HydrophobicContact CD1-CB 3.69Å; F228-Q233 HydrophobicContact CE1-CB 4.33Å; F228-I234 HydrophobicContact CB-CD1 4.17Å; F228-I234 HydrophobicContact CB-CG1 3.99Å; F228-I234 HydrophobicContact CD1-CG1 3.74Å; F228-I234 HydrophobicContact CD2-CD1 4.16Å; F228-I234 HydrophobicContact CD2-CG1 3.71Å; F228-I234 HydrophobicContact CE1-CG1 4.15Å; F228-I234 HydrophobicContact CE2-CG1 4.13Å; F228-I234 HydrophobicContact CG-CD1 4.1Å; F228-I234 HydrophobicContact CG-CG1 3.5Å; F228-I234 HydrophobicContact CZ-CG1 4.35Å; F228-L237 HydrophobicContact CE1-CD1 3.97Å; F228-L237 HydrophobicContact CZ-CD1 4.33Å; F228-L243 HydrophobicContact CE2-CB 4.2Å; F228-L243 HydrophobicContact CE2-CD2 4.24Å; F228-L243 HydrophobicContact CZ-CB 4.4Å; F228-L243 HydrophobicContact CZ-CD2 3.59Å; F228-L243 HydrophobicContact CZ-CG 4.47Å; F228-T244 WeakPolarHBondContact CD2-O 3.27Å; F228-T244 WeakPolarHBondContact CE2-O 3.46Å; F228-I245 HydrophobicContact CD2-CG1 4.24Å; F228-I245 HydrophobicContact CE2-CG1 4.22Å; F228-L249 HydrophobicContact CB-CD1 3.58Å
229R97.5Very high98.1Very high100 Ų10027.4 Ų27.438%0.37713%0.128SC..SBendtrans-109.2-25.1173.6-64.7-67.8171.5-81.7-7.3112.9R182 D185 S227R182-R229 VanDerWaalsContact CG-NH2 3.31Å; D185-R229 IonicContact OD1-NE 3.19Å; D185-R229 PolarHBondContact OD1-NE 3.41Å; D185-R229 IonicContact OD2-CZ 3.79Å; D185-R229 IonicContact OD2-NE 2.83Å; D185-R229 PolarHBondContact OD2-NE 3Å; D185-R229 IonicContact OD2-NH2 3.12Å; D185-R229 PolarHBondContact OD2-NH2 2.78Å; S227-R229 PolarHBondContact O-NH1 2.9Å; S227-R229 PolarHBondContact OG-NH1 3.2Å
230N97.5Very high98.3Very high51 Ų5125 Ų2527%0.27312%0.118SC..SBendtrans-153.3169.1-1775852.1000110.3E232 Q233N230-E232 VanDerWaalsContact C-N 3.33Å; N230-E232 WeakPolarHBondContact OD1-CB 3.23Å; N230-E232 PolarHBondContact OD1-N 2.87Å; N230-Q233 WeakPolarHBondContact OD1-CG 3.42Å; N230-Q233 PolarHBondContact OD1-N 3.3Å
231V98Very high98.3Very high7 Ų718.2 Ų18.24%0.0429%0.091CC..Hα-helixtrans-68.6-29.3178.9-64.20000113.1Q233 I234 L235 L249 E252 L253 M256V231-Q233 VanDerWaalsContact C-N 3.3Å; V231-Q233 PolarHBondContact O-N 2.68Å; V231-I234 WeakPolarHBondContact O-CB 3.45Å; V231-I234 PolarHBondContact O-N 3.23Å; V231-L235 HydrophobicContact CB-CD1 4.47Å; V231-L235 VanDerWaalsContact O-CG 3.27Å; V231-L235 WeakPolarHBondContact O-CG 3.39Å; V231-L235 PolarHBondContact O-N 3Å; V231-L249 HydrophobicContact CG1-CD2 4.23Å; V231-E252 HydrophobicContact CG1-CB 3.9Å; V231-E252 VanDerWaalsContact CG1-CD 3.46Å; V231-E252 HydrophobicContact CG1-CG 3.76Å; V231-L253 HydrophobicContact CB-CD2 3.92Å; V231-L253 HydrophobicContact CB-CG 4.4Å; V231-L253 HydrophobicContact CG1-CD2 3.85Å; V231-L253 HydrophobicContact CG1-CG 3.79Å; V231-M256 HydrophobicContact CB-SD 4.21Å; V231-M256 HydrophobicContact CG1-SD 4.22Å; V231-M256 HydrophobicContact CG2-CE 4.12Å; V231-M256 HydrophobicContact CG2-SD 3.87Å
232E97.9Very high98.3Very high65 Ų6518.1 Ų18.130%0.3049%0.09SC..Hα-helixtrans-58.5-41.2179.2-67.6-59.9119.200112.2R198 N230 I234 L235 G236R198-E232 HydrophobicContact CB-CB 4.25Å; R198-E232 WeakPolarHBondContact CB-O 3.43Å; R198-E232 IonicContact CZ-OE1 3.29Å; R198-E232 IonicContact CZ-OE2 3.74Å; R198-E232 VanDerWaalsContact CZ-OE2 3.26Å; R198-E232 IonicContact NE-OE1 3.18Å; R198-E232 IonicContact NE-OE2 3.93Å; R198-E232 PolarHBondContact NE-OE2 3.33Å; R198-E232 IonicContact NH2-OE1 3.47Å; R198-E232 PolarHBondContact NH2-OE1 3.25Å; R198-E232 IonicContact NH2-OE2 2.77Å; R198-E232 PolarHBondContact NH2-OE2 3.36Å; N230-E232 VanDerWaalsContact C-N 3.33Å; N230-E232 WeakPolarHBondContact OD1-CB 3.23Å; N230-E232 PolarHBondContact OD1-N 2.87Å; E232-I234 VanDerWaalsContact C-N 3.29Å; E232-I234 PolarHBondContact O-N 2.94Å; E232-L235 PolarHBondContact O-N 3.49Å; E232-G236 PolarHBondContact O-N 3.07Å
233Q98.5Very high98.3Very high1 Ų115.3 Ų15.31%0.0058%0.077CC..Hα-helixtrans-62.5-35.9175.4-71176.5-23.900113.2V180 D201 V204 F228 N230 V231V180-Q233 HydrophobicContact CG1-CB 3.96Å; V180-Q233 HydrophobicContact CG1-CG 3.91Å; D201-Q233 WeakPolarHBondContact OD2-CG 3.42Å; D201-Q233 PolarHBondContact OD2-NE2 3.18Å; V204-Q233 HydrophobicContact CG2-CB 4.16Å; V204-Q233 HydrophobicContact CG2-CG 4.22Å; F228-Q233 HydrophobicContact CD1-CB 3.69Å; F228-Q233 HydrophobicContact CE1-CB 4.33Å; N230-Q233 WeakPolarHBondContact OD1-CG 3.42Å; N230-Q233 PolarHBondContact OD1-N 3.3Å; V231-Q233 VanDerWaalsContact C-N 3.3Å; V231-Q233 PolarHBondContact O-N 2.68Å
234I98.6Very high98.3Very high0 Ų015.4 Ų15.40%08%0.078CC..Hα-helixtrans-70.5-46178.2-63.5166.1000109.4L8 F228 V231 E232 G236 L237 L243 I245 L249 L253L8-I234 HydrophobicContact CD1-CG2 4.5Å; L8-I234 HydrophobicContact CD2-CG2 3.58Å; F228-I234 HydrophobicContact CB-CD1 4.17Å; F228-I234 HydrophobicContact CB-CG1 3.99Å; F228-I234 HydrophobicContact CD1-CG1 3.74Å; F228-I234 HydrophobicContact CD2-CD1 4.16Å; F228-I234 HydrophobicContact CD2-CG1 3.71Å; F228-I234 HydrophobicContact CE1-CG1 4.15Å; F228-I234 HydrophobicContact CE2-CG1 4.13Å; F228-I234 HydrophobicContact CG-CD1 4.1Å; F228-I234 HydrophobicContact CG-CG1 3.5Å; F228-I234 HydrophobicContact CZ-CG1 4.35Å; V231-I234 WeakPolarHBondContact O-CB 3.45Å; V231-I234 PolarHBondContact O-N 3.23Å; E232-I234 VanDerWaalsContact C-N 3.29Å; E232-I234 PolarHBondContact O-N 2.94Å; I234-G236 VanDerWaalsContact C-N 3.27Å; I234-G236 PolarHBondContact O-N 3.34Å; I234-L237 PolarHBondContact O-N 3.09Å; I234-L243 HydrophobicContact CG2-CD1 4Å; I234-I245 HydrophobicContact CD1-CD1 4.15Å; I234-I245 HydrophobicContact CD1-CG1 4.15Å; I234-I245 HydrophobicContact CD1-CG2 3.61Å; I234-I245 HydrophobicContact CG1-CD1 4.49Å; I234-I245 HydrophobicContact CG2-CD1 3.85Å; I234-L249 HydrophobicContact CD1-CB 3.96Å; I234-L249 HydrophobicContact CD1-CD1 3.95Å; I234-L253 HydrophobicContact CD1-CD1 3.95Å; I234-L253 HydrophobicContact CG2-CD1 4Å
235L98.2Very high98.3Very high0 Ų015.3 Ų15.30%08%0.077CC..Hα-helixtrans-70.3-24.5-179.4-58.3172.3000112.3T4 R198 V231 E232 L237 V238 L253 M256 P260 C263T4-L235 HydrophobicContact CG2-CD1 4.45Å; T4-L235 HydrophobicContact CG2-CD2 3.53Å; R198-L235 VanDerWaalsContact NH1-CB 3.28Å; V231-L235 HydrophobicContact CB-CD1 4.47Å; V231-L235 VanDerWaalsContact O-CG 3.27Å; V231-L235 WeakPolarHBondContact O-CG 3.39Å; V231-L235 PolarHBondContact O-N 3Å; E232-L235 PolarHBondContact O-N 3.49Å; L235-L237 PolarHBondContact O-N 2.94Å; L235-V238 WeakPolarHBondContact O-CG2 3.4Å; L235-L253 HydrophobicContact CD2-CD2 3.92Å; L235-L253 HydrophobicContact CG-CD2 4.28Å; L235-M256 HydrophobicContact CD1-CE 4.01Å; L235-P260 HydrophobicContact CD2-CB 3.83Å; L235-P260 HydrophobicContact CD2-CG 3.85Å; L235-C263 PolarHBondContact O-SG 3.05Å; L235-C263 VanDerWaalsContact O-SG 3.42Å
236G98.2Very high98.2Very high5 Ų516.7 Ų16.75%0.0529%0.089CC..THydrogen-bonded Turntrans-69.5-11.4169.500000114.7E232 I234 C263E232-G236 PolarHBondContact O-N 3.07Å; I234-G236 VanDerWaalsContact C-N 3.27Å; I234-G236 PolarHBondContact O-N 3.34Å; G236-C263 VanDerWaalsContact O-CB 3.3Å; G236-C263 WeakPolarHBondContact O-CB 3.39Å
237L98.5Very high98.1Very high0 Ų017.8 Ų17.80%010%0.096CC..THydrogen-bonded Turntrans-121.518.1-176.2-64.7177000113.4V180 V204 V207 F228 I234 L235 G239 C240 L243 L264V180-L237 HydrophobicContact CG2-CD1 3.85Å; V204-L237 HydrophobicContact CG1-CD2 3.82Å; V204-L237 HydrophobicContact CG1-CG 4.12Å; V204-L237 HydrophobicContact CG2-CG 4.45Å; V207-L237 HydrophobicContact CB-CD1 4.04Å; V207-L237 HydrophobicContact CB-CD2 3.78Å; V207-L237 HydrophobicContact CG1-CD1 3.98Å; V207-L237 HydrophobicContact CG1-CD2 3.75Å; V207-L237 HydrophobicContact CG2-CD1 4.23Å; F228-L237 HydrophobicContact CE1-CD1 3.97Å; F228-L237 HydrophobicContact CZ-CD1 4.33Å; I234-L237 PolarHBondContact O-N 3.09Å; L235-L237 PolarHBondContact O-N 2.94Å; L237-G239 PolarHBondContact O-N 3.12Å; L237-C240 HydrophobicContact CB-CB 4.41Å; L237-C240 WeakPolarHBondContact O-CB 3.22Å; L237-C240 PolarHBondContact O-N 2.91Å; L237-L243 HydrophobicContact CB-CD2 3.97Å; L237-L243 HydrophobicContact CD1-CD2 4.23Å; L237-L264 HydrophobicContact CB-CD1 4.48Å; L237-L264 HydrophobicContact CD2-CD1 3.93Å
238V98.3Very high98.1Very high0 Ų021 Ų210%012%0.118CC..THydrogen-bonded Turntrans-57.1126.5173.5-179.20000109.5L8 H11 L235 P260 V262 C263 L264L8-V238 HydrophobicContact CD1-CB 4.19Å; L8-V238 HydrophobicContact CD1-CG1 4.22Å; L8-V238 HydrophobicContact CD1-CG2 3.49Å; L8-V238 VanDerWaalsContact CD1-CG2 3.49Å; H11-V238 HydrophobicContact CB-CG1 3.78Å; L235-V238 WeakPolarHBondContact O-CG2 3.4Å; V238-P260 HydrophobicContact CG2-CB 3.91Å; V238-P260 HydrophobicContact CG2-CG 3.93Å; V238-V262 HydrophobicContact CG1-CG2 4.26Å; V238-C263 PolarHBondContact O-N 3.45Å; V238-L264 PolarHBondContact O-N 3.4Å
239G98Very high98.1Very high10 Ų1020.9 Ų20.910%0.10312%0.118CC..THydrogen-bonded Turntrans97.6-3.1-17300000114.9T12 Y211 L237 L264T12-G239 WeakPolarHBondContact OG1-CA 3.41Å; T12-G239 PolarHBondContact OG1-N 3.33Å; Y211-G239 WeakPolarHBondContact CE2-O 3.38Å; Y211-G239 PolarHBondContact OH-O 3.1Å; L237-G239 PolarHBondContact O-N 3.12Å; G239-L264 WeakPolarHBondContact CA-O 3.34Å
240C98.2Very high98.1Very high1 Ų116.1 Ų16.11%0.00710%0.1CC..  trans-59.6154.3163.7-163.90000109.8T12 I223 L237 L242 L243 L264T12-C240 WeakPolarHBondContact CB-O 3.41Å; T12-C240 WeakPolarHBondContact CG2-O 3.38Å; T12-C240 PolarHBondContact OG1-N 3.41Å; T12-C240 PolarHBondContact OG1-O 3.45Å; I223-C240 PolarHBondContact O-SG 2.74Å; L237-C240 HydrophobicContact CB-CB 4.41Å; L237-C240 WeakPolarHBondContact O-CB 3.22Å; L237-C240 PolarHBondContact O-N 2.91Å; C240-L242 PolarHBondContact O-N 3.46Å; C240-L243 HydrophobicContact CB-CD2 3.99Å; C240-L243 HydrophobicContact CB-CG 4.39Å; C240-L264 HydrophobicContact CB-CD1 3.86Å
241D98.3Very high98.1Very high41 Ų4116.9 Ų16.922%0.21910%0.102CC..SBendtrans-61.1-49.6-176.7-56.8-52.6000110.5I13 K215 Q222 I223I13-D241 WeakPolarHBondContact CB-O 3.32Å; I13-D241 PolarHBondContact N-O 3.05Å; K215-D241 IonicContact NZ-OD1 3.02Å; K215-D241 PolarHBondContact NZ-OD1 3.29Å; K215-D241 IonicContact NZ-OD2 3.26Å; K215-D241 PolarHBondContact NZ-OD2 3.34Å; Q222-D241 HydrophobicContact CB-CB 4.38Å; I223-D241 PolarHBondContact N-OD2 2.93Å
242L98.7Very high98.1Very high1 Ų120.9 Ų20.91%0.00512%0.12CC..EExtended strand (participates in β ladder)trans-137.8157.3175.2-53.890.7000111.2I13 V15 L175 Q222 I223 M224 G225 C240I13-L242 HydrophobicContact CB-CB 4.47Å; I13-L242 HydrophobicContact CB-CD2 4.25Å; I13-L242 HydrophobicContact CB-CG 3.99Å; I13-L242 HydrophobicContact CD1-CG 4.49Å; I13-L242 HydrophobicContact CG2-CD2 3.92Å; I13-L242 HydrophobicContact CG2-CG 4.23Å; I13-L242 CarbonylContact O-C 3.6Å; I13-L242 VanDerWaalsContact O-CA 3.32Å; I13-L242 WeakPolarHBondContact O-CA 3.34Å; V15-L242 HydrophobicContact CG2-CB 4.11Å; V15-L242 HydrophobicContact CG2-CD2 3.75Å; L175-L242 HydrophobicContact CD1-CD1 3.9Å; L175-L242 HydrophobicContact CD1-CD2 4.23Å; Q222-L242 HydrophobicContact CB-CD1 3.79Å; Q222-L242 HydrophobicContact CG-CD1 4.44Å; I223-L242 PolarHBondContact O-N 3.07Å; M224-L242 VanDerWaalsContact CA-O 3.27Å; M224-L242 WeakPolarHBondContact CA-O 3.37Å; M224-L242 HydrophobicContact CB-CB 3.89Å; M224-L242 HydrophobicContact CG-CB 3.72Å; M224-L242 HydrophobicContact SD-CB 4.13Å; M224-L242 HydrophobicContact SD-CD2 4.48Å; G225-L242 PolarHBondContact N-O 2.66Å; G225-L242 VanDerWaalsContact N-O 3.08Å; C240-L242 PolarHBondContact O-N 3.46Å
243L98.7Very high98.1Very high0 Ų017.8 Ų17.80%011%0.106CC..EExtended strand (participates in β ladder)trans-134.9125.5166.3-61167000108.9L8 T12 I13 V15 G225 F228 I234 L237 C240 I245L8-L243 HydrophobicContact CD1-CD1 4.25Å; T12-L243 HydrophobicContact CG2-CB 4.18Å; T12-L243 HydrophobicContact CG2-CD1 3.65Å; T12-L243 HydrophobicContact CG2-CG 3.55Å; I13-L243 PolarHBondContact O-N 3.2Å; V15-L243 PolarHBondContact N-O 3.02Å; G225-L243 WeakPolarHBondContact O-CA 3.47Å; F228-L243 HydrophobicContact CE2-CB 4.2Å; F228-L243 HydrophobicContact CE2-CD2 4.24Å; F228-L243 HydrophobicContact CZ-CB 4.4Å; F228-L243 HydrophobicContact CZ-CD2 3.59Å; F228-L243 HydrophobicContact CZ-CG 4.47Å; I234-L243 HydrophobicContact CG2-CD1 4Å; L237-L243 HydrophobicContact CB-CD2 3.97Å; L237-L243 HydrophobicContact CD1-CD2 4.23Å; C240-L243 HydrophobicContact CB-CD2 3.99Å; C240-L243 HydrophobicContact CB-CG 4.39Å; L243-I245 HydrophobicContact CB-CD1 4.06Å; L243-I245 HydrophobicContact CB-CG1 4.04Å
244T98.6Very high98Very high3 Ų319.9 Ų19.92%0.01812%0.121CC..EExtended strand (participates in β ladder)trans-96.3116.4173.2-168.10000110.4V15 D17 M224 G225 A226 F228V15-T244 VanDerWaalsContact O-CA 3.3Å; V15-T244 WeakPolarHBondContact O-CA 3.3Å; D17-T244 WeakPolarHBondContact CB-OG1 3.4Å; M224-T244 HydrophobicContact CE-CG2 4.09Å; M224-T244 HydrophobicContact CG-CG2 4.08Å; M224-T244 HydrophobicContact SD-CG2 4.22Å; G225-T244 PolarHBondContact O-N 3.08Å; A226-T244 HydrophobicContact CB-CG2 3.42Å; A226-T244 VanDerWaalsContact CB-CG2 3.42Å; F228-T244 WeakPolarHBondContact CD2-O 3.27Å; F228-T244 WeakPolarHBondContact CE2-O 3.46Å
245I98.5Very high98Very high0 Ų026.8 Ų26.80%015%0.151CC..EExtended strand (participates in β ladder)trans-125.4131-163.4-53.1172.3000109.6L8 I14 V15 D17 F228 I234 L243 L249 L250 L253L8-I245 HydrophobicContact CD2-CD1 4.09Å; I14-I245 HydrophobicContact CD1-CD1 4.03Å; I14-I245 HydrophobicContact CG2-CD1 4.47Å; V15-I245 PolarHBondContact O-N 3.01Å; D17-I245 PolarHBondContact N-O 3.13Å; F228-I245 HydrophobicContact CD2-CG1 4.24Å; F228-I245 HydrophobicContact CE2-CG1 4.22Å; I234-I245 HydrophobicContact CD1-CD1 4.15Å; I234-I245 HydrophobicContact CD1-CG1 4.15Å; I234-I245 HydrophobicContact CD1-CG2 3.61Å; I234-I245 HydrophobicContact CG1-CD1 4.49Å; I234-I245 HydrophobicContact CG2-CD1 3.85Å; L243-I245 HydrophobicContact CB-CD1 4.06Å; L243-I245 HydrophobicContact CB-CG1 4.04Å; I245-L249 HydrophobicContact CG2-CB 3.62Å; I245-L250 HydrophobicContact CB-CD2 3.88Å; I245-L250 HydrophobicContact CB-CG 3.98Å; I245-L250 HydrophobicContact CD1-CD2 4.12Å; I245-L250 HydrophobicContact CG2-CD2 3.89Å; I245-L250 HydrophobicContact CG2-CG 3.76Å; I245-L253 HydrophobicContact CD1-CD1 4.34Å
246A97.7Very high97.9Very high29 Ų2928.9 Ų28.924%0.2416%0.161CC..  trans-65.5148.3175.800000111.6S248 L249 L250A246-S248 PolarHBondContact O-N 2.92Å; A246-S248 VanDerWaalsContact O-N 3.12Å; A246-L249 PolarHBondContact O-N 2.96Å; A246-L250 PolarHBondContact O-N 3.12Å; A246-L250 VanDerWaalsContact O-N 3.08Å
247P97Very high97.9Very high27 Ų2733 Ų3318%0.17519%0.189CC..Hα-helixtrans-53.7-35.4-178-29.536.1000115.1T18 Y27 L250 E251T18-P247 HydrophobicContact CG2-CG 3.99Å; Y27-P247 HydrophobicContact CE2-CB 4.29Å; P247-L250 PolarHBondContact O-N 2.63Å; P247-E251 PolarHBondContact O-N 2.77Å
248S97.1Very high97.7Very high85 Ų8536.2 Ų36.259%0.59420%0.204SC*.Hα-helixtrans-63.1-42.1177.951.60000112.8A246 E251 E252A246-S248 PolarHBondContact O-N 2.92Å; A246-S248 VanDerWaalsContact O-N 3.12Å; S248-E251 WeakPolarHBondContact O-CB 3.33Å; S248-E251 PolarHBondContact O-N 2.95Å; S248-E252 PolarHBondContact O-N 2.93Å; S248-E252 VanDerWaalsContact O-N 3.07Å
249L98.3Very high97.6Very high12 Ų1242.6 Ų42.66%0.06323%0.234CC..Hα-helixtrans-74.9-34.1178.3-64.4176.5000111.4F228 V231 I234 I245 A246 E251 E252 L253F228-L249 HydrophobicContact CB-CD1 3.58Å; V231-L249 HydrophobicContact CG1-CD2 4.23Å; I234-L249 HydrophobicContact CD1-CB 3.96Å; I234-L249 HydrophobicContact CD1-CD1 3.95Å; I245-L249 HydrophobicContact CG2-CB 3.62Å; A246-L249 PolarHBondContact O-N 2.96Å; L249-E251 VanDerWaalsContact C-N 3.28Å; L249-E251 PolarHBondContact O-N 3.28Å; L249-E252 PolarHBondContact O-N 3.11Å; L249-L253 WeakPolarHBondContact O-CB 3.46Å; L249-L253 WeakPolarHBondContact O-CD1 3.45Å; L249-L253 VanDerWaalsContact O-CG 3.26Å; L249-L253 WeakPolarHBondContact O-CG 3.41Å; L249-L253 PolarHBondContact O-N 3.02Å
250L97.9Very high97.4Very high0 Ų042.4 Ų42.40%023%0.231CC..Hα-helixtrans-60.7-40169.5-70.7173.5000111.4L5 I14 Y27 I245 A246 P247 S254L5-L250 HydrophobicContact CD1-CD2 3.85Å; L5-L250 HydrophobicContact CD2-CD2 4.46Å; I14-L250 HydrophobicContact CG2-CD2 3.79Å; Y27-L250 HydrophobicContact CD1-CB 3.86Å; Y27-L250 HydrophobicContact CD2-CB 3.97Å; Y27-L250 HydrophobicContact CD2-CD1 3.74Å; Y27-L250 HydrophobicContact CE1-CB 3.87Å; Y27-L250 HydrophobicContact CE2-CB 4.01Å; Y27-L250 HydrophobicContact CE2-CD1 4.44Å; Y27-L250 HydrophobicContact CG-CB 3.92Å; Y27-L250 HydrophobicContact CG-CD1 3.84Å; Y27-L250 HydrophobicContact CG-CG 4.44Å; I245-L250 HydrophobicContact CB-CD2 3.88Å; I245-L250 HydrophobicContact CB-CG 3.98Å; I245-L250 HydrophobicContact CD1-CD2 4.12Å; I245-L250 HydrophobicContact CG2-CD2 3.89Å; I245-L250 HydrophobicContact CG2-CG 3.76Å; A246-L250 PolarHBondContact O-N 3.12Å; A246-L250 VanDerWaalsContact O-N 3.08Å; P247-L250 PolarHBondContact O-N 2.63Å; L250-S254 WeakPolarHBondContact O-CB 3.46Å; L250-S254 PolarHBondContact O-N 2.85Å; L250-S254 PolarHBondContact O-OG 3.19Å
251E97.5Very high97.2Very high67 Ų6746 Ų4631%0.31326%0.256SS..Hα-helixtrans-62.8-46.4174.7-167.2160.9155.900112.4K26 Y27 P247 S248 L249 S254 K255K26-E251 IonicContact NZ-OE2 2.89Å; K26-E251 PolarHBondContact NZ-OE2 3.36Å; Y27-E251 WeakPolarHBondContact OH-CA 3.37Å; Y27-E251 WeakPolarHBondContact OH-CB 3.49Å; Y27-E251 PolarHBondContact OH-OE2 3.32Å; P247-E251 PolarHBondContact O-N 2.77Å; S248-E251 WeakPolarHBondContact O-CB 3.33Å; S248-E251 PolarHBondContact O-N 2.95Å; L249-E251 VanDerWaalsContact C-N 3.28Å; L249-E251 PolarHBondContact O-N 3.28Å; E251-S254 PolarHBondContact O-N 3Å; E251-S254 PolarHBondContact O-OG 2.76Å; E251-K255 HydrophobicContact CG-CD 4.39Å; E251-K255 WeakPolarHBondContact O-CG 3.29Å; E251-K255 PolarHBondContact O-N 2.92Å; E251-K255 WeakPolarHBondContact OE1-CE 3.27Å; E251-K255 IonicContact OE1-NZ 3.77Å; E251-K255 PolarHBondContact OE1-NZ 2.84Å
252E98Very high97.2Very high91 Ų9146.2 Ų46.243%0.42526%0.259SS..Hα-helixtrans-59.6-51.3178.1-168.2176.8163.500111.3V231 S248 L249 S254 K255 M256V231-E252 HydrophobicContact CG1-CB 3.9Å; V231-E252 VanDerWaalsContact CG1-CD 3.46Å; V231-E252 HydrophobicContact CG1-CG 3.76Å; S248-E252 PolarHBondContact O-N 2.93Å; S248-E252 VanDerWaalsContact O-N 3.07Å; L249-E252 PolarHBondContact O-N 3.11Å; E252-S254 PolarHBondContact O-N 2.78Å; E252-K255 PolarHBondContact O-N 3.42Å; E252-M256 HydrophobicContact CG-SD 4.31Å; E252-M256 WeakPolarHBondContact O-CG 3.44Å; E252-M256 PolarHBondContact O-N 2.86Å; E252-M256 VanDerWaalsContact O-N 3.15Å
253L97.8Very high97.1Very high0 Ų047.6 Ų47.60%027%0.268CS..Hα-helixtrans-58.9-33.1176.7-69.1165.9000112.9T4 L5 L8 V231 I234 L235 I245 L249 K255 M256T4-L253 WeakPolarHBondContact CB-O 3.31Å; T4-L253 HydrophobicContact CG2-CD2 3.87Å; T4-L253 PolarHBondContact N-O 3.38Å; L5-L253 HydrophobicContact CB-CB 3.97Å; L5-L253 PolarHBondContact N-O 3.08Å; L5-L253 VanDerWaalsContact N-O 3.13Å; L8-L253 HydrophobicContact CD2-CD1 4.26Å; V231-L253 HydrophobicContact CB-CD2 3.92Å; V231-L253 HydrophobicContact CB-CG 4.4Å; V231-L253 HydrophobicContact CG1-CD2 3.85Å; V231-L253 HydrophobicContact CG1-CG 3.79Å; I234-L253 HydrophobicContact CD1-CD1 3.95Å; I234-L253 HydrophobicContact CG2-CD1 4Å; L235-L253 HydrophobicContact CD2-CD2 3.92Å; L235-L253 HydrophobicContact CG-CD2 4.28Å; I245-L253 HydrophobicContact CD1-CD1 4.34Å; L249-L253 WeakPolarHBondContact O-CB 3.46Å; L249-L253 WeakPolarHBondContact O-CD1 3.45Å; L249-L253 VanDerWaalsContact O-CG 3.26Å; L249-L253 WeakPolarHBondContact O-CG 3.41Å; L249-L253 PolarHBondContact O-N 3.02Å; L253-K255 VanDerWaalsContact C-N 3.26Å; L253-K255 PolarHBondContact O-N 3.22Å; L253-M256 HydrophobicContact CD2-SD 4.3Å; L253-M256 PolarHBondContact O-N 3.41Å
254S96.5Very high97Very high46 Ų4647.8 Ų47.832%0.32227%0.269SS..Hα-helixtrans-71.2-21.3177.474.60000113.5S3 L250 E251 E252S3-S254 VanDerWaalsContact CB-O 3.29Å; S3-S254 WeakPolarHBondContact CB-O 3.44Å; L250-S254 WeakPolarHBondContact O-CB 3.46Å; L250-S254 PolarHBondContact O-N 2.85Å; L250-S254 PolarHBondContact O-OG 3.19Å; E251-S254 PolarHBondContact O-N 3Å; E251-S254 PolarHBondContact O-OG 2.76Å; E252-S254 PolarHBondContact O-N 2.78Å
255K97.3Very high96.9Very high144 Ų14449.2 Ų49.263%0.62628%0.279SS*.Hα-helixtrans-95.8-15.1178.5-67.3173.3-175.7171.20112.9E251 E252 L253E251-K255 HydrophobicContact CG-CD 4.39Å; E251-K255 WeakPolarHBondContact O-CG 3.29Å; E251-K255 PolarHBondContact O-N 2.92Å; E251-K255 WeakPolarHBondContact OE1-CE 3.27Å; E251-K255 IonicContact OE1-NZ 3.77Å; E251-K255 PolarHBondContact OE1-NZ 2.84Å; E252-K255 PolarHBondContact O-N 3.42Å; L253-K255 VanDerWaalsContact C-N 3.26Å; L253-K255 PolarHBondContact O-N 3.22Å
256M97.8Very high96.6Very high45 Ų4553.8 Ų53.822%0.22230%0.303CS..  trans-80.3156.5176.1-67.7170.772.800111.9S3 T4 V231 L235 E252 L253S3-M256 WeakPolarHBondContact CA-O 3.3Å; T4-M256 PolarHBondContact N-O 2.73Å; T4-M256 VanDerWaalsContact OG1-C 3.27Å; T4-M256 WeakPolarHBondContact OG1-CB 3.2Å; T4-M256 PolarHBondContact OG1-O 3.34Å; V231-M256 HydrophobicContact CB-SD 4.21Å; V231-M256 HydrophobicContact CG1-SD 4.22Å; V231-M256 HydrophobicContact CG2-CE 4.12Å; V231-M256 HydrophobicContact CG2-SD 3.87Å; L235-M256 HydrophobicContact CD1-CE 4.01Å; E252-M256 HydrophobicContact CG-SD 4.31Å; E252-M256 WeakPolarHBondContact O-CG 3.44Å; E252-M256 PolarHBondContact O-N 2.86Å; E252-M256 VanDerWaalsContact O-N 3.15Å; L253-M256 HydrophobicContact CD2-SD 4.3Å; L253-M256 PolarHBondContact O-N 3.41Å
257S96.5Very high96.4Very high91 Ų9158 Ų5864%0.63632%0.321SS*.  trans-123.911.2179.2-51.90000113.4T4T4-S257 PolarHBondContact OG1-N 2.93Å
258E95.6Very high96.2Very high68 Ų6861 Ų6132%0.31833%0.331SS..  trans-65.7133.7172.1-174.4-171.6142.700109.6T4 R198 P260T4-E258 WeakPolarHBondContact CA-O 3.32Å; T4-E258 WeakPolarHBondContact CB-O 3.38Å; T4-E258 HydrophobicContact CG2-CB 4.5Å; T4-E258 WeakPolarHBondContact CG2-O 3.38Å; T4-E258 WeakPolarHBondContact OG1-CA 3.36Å; T4-E258 PolarHBondContact OG1-N 3.44Å; T4-E258 PolarHBondContact OG1-O 3.03Å; R198-E258 IonicContact CZ-OE1 3.65Å; R198-E258 IonicContact NH1-OE1 3.14Å; R198-E258 PolarHBondContact NH1-OE1 2.88Å; R198-E258 IonicContact NH2-OE1 2.7Å; R198-E258 PolarHBondContact NH2-OE1 3.27Å; R198-E258 IonicContact NH2-OE2 2.73Å; R198-E258 PolarHBondContact NH2-OE2 3.15Å; E258-P260 VanDerWaalsContact O-CD 3.28Å; E258-P260 WeakPolarHBondContact O-CD 3.48Å
259E96.1Very high96Very high133 Ų13357 Ų5762%0.62130%0.303SS*.  trans-93.6100.9162.7177157.6-143.500108.4H7H7-E259 IonicContact CE1-OE1 4Å; H7-E259 PolarHBondContact CE1-OE1 2.89Å; H7-E259 IonicContact CE1-OE2 2.72Å; H7-E259 VanDerWaalsContact ND1-CD 3.28Å; H7-E259 WeakPolarHBondContact ND1-CG 3.47Å; H7-E259 IonicContact ND1-OE1 2.87Å; H7-E259 PolarHBondContact ND1-OE1 2.84Å
260P93.8Very high95.5Very high7 Ų762.4 Ų62.45%0.04533%0.328CS..  trans-74.5144-174.330.2-35.1000111.2T4 L235 V238 E258T4-P260 HydrophobicContact CG2-CG 4.39Å; L235-P260 HydrophobicContact CD2-CB 3.83Å; L235-P260 HydrophobicContact CD2-CG 3.85Å; V238-P260 HydrophobicContact CG2-CB 3.91Å; V238-P260 HydrophobicContact CG2-CG 3.93Å; E258-P260 VanDerWaalsContact O-CD 3.28Å; E258-P260 WeakPolarHBondContact O-CD 3.48Å
261S94.7Very high95.1Very high75 Ų7567.9 Ų67.952%0.52436%0.362SS..  trans-66.4141.1170.962.30000111.1C263S261-C263 PolarHBondContact O-N 3.49Å; S261-C263 VanDerWaalsContact O-N 3.15Å; S261-C263 PolarHBondContact O-SG 3.02Å
262V96.9Very high94.4Very high47 Ų4768.3 Ų68.329%0.28537%0.372SS..  trans-64.5113.9169.1-179.40000109.3H11 V238 L264 K268H11-V262 HydrophobicContact CB-CG2 4.32Å; V238-V262 HydrophobicContact CG1-CG2 4.26Å; V262-L264 VanDerWaalsContact CG1-O 3.25Å; V262-L264 WeakPolarHBondContact CG1-O 3.28Å; V262-K268 PolarHBondContact O-NZ 3.3Å
263C96.4Very high93.6Very high30 Ų3064.6 Ų64.620%0.20336%0.356CS..  trans-85.3-36.2-178.1-67.10000112.5L235 G236 V238 S261 K268L235-C263 PolarHBondContact O-SG 3.05Å; L235-C263 VanDerWaalsContact O-SG 3.42Å; G236-C263 VanDerWaalsContact O-CB 3.3Å; G236-C263 WeakPolarHBondContact O-CB 3.39Å; V238-C263 PolarHBondContact O-N 3.45Å; S261-C263 PolarHBondContact O-N 3.49Å; S261-C263 VanDerWaalsContact O-N 3.15Å; S261-C263 PolarHBondContact O-SG 3.02Å; C263-K268 VanDerWaalsContact O-CD 3.25Å; C263-K268 WeakPolarHBondContact O-CD 3.4Å
264L97.1Very high92.7Very high4 Ų467.9 Ų67.92%0.02137%0.374CS..  trans-115.7128.9-175-59.1177.1000110.4T208 Y211 L237 V238 G239 C240 V262T208-L264 HydrophobicContact CG2-CD2 3.78Å; Y211-L264 HydrophobicContact CD1-CB 4.04Å; Y211-L264 HydrophobicContact CD1-CD2 4.16Å; Y211-L264 HydrophobicContact CD1-CG 4.48Å; Y211-L264 HydrophobicContact CD2-CB 4.3Å; Y211-L264 HydrophobicContact CD2-CD1 4.01Å; Y211-L264 HydrophobicContact CE1-CB 3.87Å; Y211-L264 HydrophobicContact CE2-CB 4.1Å; Y211-L264 HydrophobicContact CE2-CD1 4.49Å; Y211-L264 HydrophobicContact CG-CB 4.27Å; Y211-L264 HydrophobicContact CG-CD1 4.03Å; Y211-L264 HydrophobicContact CG-CD2 4.29Å; Y211-L264 HydrophobicContact CG-CG 4.43Å; L237-L264 HydrophobicContact CB-CD1 4.48Å; L237-L264 HydrophobicContact CD2-CD1 3.93Å; V238-L264 PolarHBondContact O-N 3.4Å; G239-L264 WeakPolarHBondContact CA-O 3.34Å; C240-L264 HydrophobicContact CB-CD1 3.86Å; V262-L264 VanDerWaalsContact CG1-O 3.25Å; V262-L264 WeakPolarHBondContact CG1-O 3.28Å
265S96.4Very high91.8Very high33 Ų3370.3 Ų70.323%0.23138%0.38CS..  trans-155.2163.4172.370.60000109.8D267 K268 A269S265-D267 VanDerWaalsContact C-N 3.3Å; S265-D267 PolarHBondContact O-N 3.25Å; S265-K268 PolarHBondContact O-N 2.98Å; S265-K268 WeakPolarHBondContact OG-CB 3.11Å; S265-K268 WeakPolarHBondContact OG-CG 3.14Å; S265-K268 PolarHBondContact OG-N 3.12Å; S265-A269 WeakPolarHBondContact O-CB 3.48Å; S265-A269 PolarHBondContact O-N 3.07Å
266I93Very high90.8Very high96 Ų9667.8 Ų67.849%0.49238%0.38SS..Hα-helixtrans-58.8-44.3176.7-63.6173.5000110.5K215 K268 A269 Q270K215-I266 HydrophobicContact CG-CG1 4.43Å; I266-K268 PolarHBondContact O-N 3.49Å; I266-A269 WeakPolarHBondContact O-CB 3.31Å; I266-A269 PolarHBondContact O-N 3.25Å; I266-Q270 WeakPolarHBondContact O-CG 3.46Å; I266-Q270 PolarHBondContact O-N 2.88Å
267D93.6Very high89.7Confident117 Ų11767.3 Ų67.363%0.62638%0.376SS*.Hα-helixtrans-62.7-40.6179.3-56.8-20.5000112.3S265 Q270 T271S265-D267 VanDerWaalsContact C-N 3.3Å; S265-D267 PolarHBondContact O-N 3.25Å; D267-Q270 PolarHBondContact O-N 3.22Å; D267-T271 PolarHBondContact O-N 2.98Å; D267-T271 PolarHBondContact O-OG1 2.69Å
268K93Very high88.5Confident90 Ų9069.4 Ų69.439%0.39138%0.376SS..Hα-helixtrans-67.5-38.1175-73.8-177.6175-1680111.8V262 C263 S265 I266 Q270 T271 S272V262-K268 PolarHBondContact O-NZ 3.3Å; C263-K268 VanDerWaalsContact O-CD 3.25Å; C263-K268 WeakPolarHBondContact O-CD 3.4Å; S265-K268 PolarHBondContact O-N 2.98Å; S265-K268 WeakPolarHBondContact OG-CB 3.11Å; S265-K268 WeakPolarHBondContact OG-CG 3.14Å; S265-K268 PolarHBondContact OG-N 3.12Å; I266-K268 PolarHBondContact O-N 3.49Å; K268-Q270 PolarHBondContact O-N 2.9Å; K268-T271 PolarHBondContact O-N 3.37Å; K268-T271 PolarHBondContact O-OG1 3.49Å; K268-S272 VanDerWaalsContact O-CB 3.24Å; K268-S272 WeakPolarHBondContact O-CB 3.41Å; K268-S272 PolarHBondContact O-N 2.89Å; K268-S272 PolarHBondContact O-OG 2.67Å; K268-S272 VanDerWaalsContact O-OG 3.1Å
269A91.6Very high87.5Confident0 Ų068 Ų680%037%0.374CS..Hα-helixtrans-61.1-44.1176.400000111.8Y211 N212 K215 V216 S265 I266 T271 S272 C273Y211-A269 HydrophobicContact CE1-CB 4.43Å; N212-A269 HydrophobicContact CB-CB 4.13Å; N212-A269 WeakPolarHBondContact OD1-CA 3.41Å; K215-A269 HydrophobicContact CB-CB 3.87Å; K215-A269 HydrophobicContact CG-CB 4.44Å; V216-A269 HydrophobicContact CG2-CB 4.48Å; S265-A269 WeakPolarHBondContact O-CB 3.48Å; S265-A269 PolarHBondContact O-N 3.07Å; I266-A269 WeakPolarHBondContact O-CB 3.31Å; I266-A269 PolarHBondContact O-N 3.25Å; A269-T271 PolarHBondContact O-N 2.86Å; A269-S272 PolarHBondContact O-N 2.9Å; A269-C273 WeakPolarHBondContact O-CB 3.47Å; A269-C273 PolarHBondContact O-N 2.97Å
270Q88.9Confident86.5Confident126 Ų12669.6 Ų69.659%0.58939%0.387SS*.Hα-helixtrans-61.3-29.8179-72175.9-9.200113.6I266 D267 K268I266-Q270 WeakPolarHBondContact O-CG 3.46Å; I266-Q270 PolarHBondContact O-N 2.88Å; D267-Q270 PolarHBondContact O-N 3.22Å; K268-Q270 PolarHBondContact O-N 2.9Å
271T88.4Confident86.3Confident116 Ų11676 Ų7671%0.71242%0.416SS*.Hα-helixtrans-95-18.1-178.450.70000113.9D267 K268 A269D267-T271 PolarHBondContact O-N 2.98Å; D267-T271 PolarHBondContact O-OG1 2.69Å; K268-T271 PolarHBondContact O-N 3.37Å; K268-T271 PolarHBondContact O-OG1 3.49Å; A269-T271 PolarHBondContact O-N 2.86Å
272S84.1Confident86.1Confident75 Ų7579 Ų7952%0.52442%0.417SS..Hα-helixtrans-1239.7-170.3-51.60000113.7N212 K268 A269 D274N212-S272 PolarHBondContact ND2-O 2.98Å; K268-S272 VanDerWaalsContact O-CB 3.24Å; K268-S272 WeakPolarHBondContact O-CB 3.41Å; K268-S272 PolarHBondContact O-N 2.89Å; K268-S272 PolarHBondContact O-OG 2.67Å; K268-S272 VanDerWaalsContact O-OG 3.1Å; A269-S272 PolarHBondContact O-N 2.9Å; S272-D274 PolarHBondContact O-N 3.31Å
273C80.5Confident86Confident14 Ų1477.3 Ų77.310%0.09541%0.406CS..  trans-70.6128.5179.9-168.40000110.8N212 V216 A269 H275N212-C273 HydrophobicContact CB-CB 4.4Å; V216-C273 HydrophobicContact CB-CB 4.39Å; V216-C273 HydrophobicContact CG2-CB 3.68Å; A269-C273 WeakPolarHBondContact O-CB 3.47Å; A269-C273 PolarHBondContact O-N 2.97Å; C273-H275 PolarHBondContact O-N 3.47Å
274D78.2Confident86Confident68 Ų6879 Ų7936%0.36442%0.416SS..  trans-69.8115.8164.9172.516.1000108.6R209 S272 S276R209-D274 IonicContact CZ-OD2 3.41Å; R209-D274 IonicContact NE-OD2 3.2Å; R209-D274 PolarHBondContact NE-OD2 3.25Å; R209-D274 VanDerWaalsContact NE-OD2 3.12Å; R209-D274 IonicContact NH2-OD2 2.71Å; R209-D274 PolarHBondContact NH2-OD2 2.65Å; S272-D274 PolarHBondContact O-N 3.31Å; D274-S276 VanDerWaalsContact C-N 3.35Å; D274-S276 WeakPolarHBondContact OD1-CB 3.21Å; D274-S276 PolarHBondContact OD1-N 3.34Å; D274-S276 PolarHBondContact OD1-OG 3.25Å; D274-S276 PolarHBondContact OD2-OG 3.47Å
275H78.1Confident86.1Confident98 Ų9882.8 Ų82.845%0.45443%0.433SS..  trans-92.911.3178.8-65.8-57.4000113C273 Y277 Q278C273-H275 PolarHBondContact O-N 3.47Å; H275-Y277 PolarHBondContact O-N 3.27Å; H275-Q278 WeakPolarHBondContact O-CG 3.39Å
276S75.6Confident86.2Confident90 Ų9089 Ų8963%0.62946%0.458SS*.SBendtrans-63.1-28.8-179.759.20000113.9D274D274-S276 VanDerWaalsContact C-N 3.35Å; D274-S276 WeakPolarHBondContact OD1-CB 3.21Å; D274-S276 PolarHBondContact OD1-N 3.34Å; D274-S276 PolarHBondContact OD1-OG 3.25Å; D274-S276 PolarHBondContact OD2-OG 3.47Å
277Y75.8Confident86.4Confident35 Ų3588.6 Ų88.614%0.13745%0.454CS..  trans-109.3105.3173-173.5-92.8000109.9F162 Y163 I166 Y213 H275F162-Y277 HydrophobicContact CE1-CD1 4.46Å; F162-Y277 HydrophobicContact CE1-CG 4.33Å; Y163-Y277 AromaticContact CE1-CD2 3.9Å; Y163-Y277 HydrophobicContact CE1-CD2 3.9Å; Y163-Y277 AromaticContact CE1-CE2 3.73Å; Y163-Y277 HydrophobicContact CE1-CE2 3.73Å; I166-Y277 HydrophobicContact CD1-CD1 3.47Å; I166-Y277 VanDerWaalsContact CD1-CD1 3.47Å; I166-Y277 HydrophobicContact CD1-CD2 4.39Å; I166-Y277 HydrophobicContact CD1-CE1 3.49Å; I166-Y277 VanDerWaalsContact CD1-CE1 3.49Å; I166-Y277 HydrophobicContact CD1-CE2 4.39Å; I166-Y277 HydrophobicContact CD1-CG 3.95Å; I166-Y277 HydrophobicContact CG1-CD1 4.39Å; I166-Y277 HydrophobicContact CG1-CE1 4.26Å; I166-Y277 HydrophobicContact CG2-CE1 3.83Å; Y213-Y277 HydrophobicContact CE2-CD1 4.05Å; Y213-Y277 WeakPolarHBondContact CE2-O 3.48Å; Y213-Y277 AromaticContact CZ-CD1 3.95Å; H275-Y277 PolarHBondContact O-N 3.27Å
278Q71.2Confident86.6Confident135 Ų13583.3 Ų83.363%0.63143%0.426SS*.  trans-130.7100.3172.4-71.5179.9-22.900107H275H275-Q278 WeakPolarHBondContact O-CG 3.39Å
279S75.1Confident86.8Confident39 Ų3984.3 Ų84.327%0.27343%0.427SS..  trans-139127.9171-176.90000108.7E281S279-E281 WeakPolarHBondContact OG-CB 3.39Å; S279-E281 PolarHBondContact OG-N 3.02Å; S279-E281 VanDerWaalsContact OG-N 3.09Å
280D75.2Confident87.1Confident167 Ų16791.6 Ų91.689%0.89346%0.455SS*.SBendtrans-78.9-10.4169.2-65.7-37.8000111.4
281E88Confident87.6Confident141 Ų14188.3 Ų88.366%0.65944%0.439SS*.SBendtrans-81143.7178.4-60-173.3167.800111.4Q170 S279Q170-E281 PolarHBondContact NE2-O 3.27Å; S279-E281 WeakPolarHBondContact OG-CB 3.39Å; S279-E281 PolarHBondContact OG-N 3.02Å; S279-E281 VanDerWaalsContact OG-N 3.09Å
282Y91.7Very high88Confident139 Ų13983.2 Ų83.255%0.54541%0.408SS..PPolyproline II helixtrans-70.7133.3173.8-80.2-115.3000109.1Q170 T284Q170-Y282 HydrophobicContact CB-CD1 3.85Å; Q170-Y282 HydrophobicContact CB-CE1 3.89Å; Q170-Y282 WeakPolarHBondContact O-CE1 3.37Å; Y282-T284 PolarHBondContact O-N 3.36Å
283L94.5Very high88.7Confident11 Ų1184.1 Ų84.16%0.05841%0.407CS..PPolyproline II helixtrans-52.6126.8171.5-86.9131.5000109.7W137 Y163 I166 A167 E287W137-L283 VanDerWaalsContact CH2-O 3.3Å; W137-L283 WeakPolarHBondContact CH2-O 3.38Å; Y163-L283 HydrophobicContact CD1-CD1 4.48Å; Y163-L283 HydrophobicContact CD1-CD2 3.84Å; Y163-L283 HydrophobicContact CE1-CD2 4.44Å; I166-L283 HydrophobicContact CB-CD1 3.67Å; I166-L283 HydrophobicContact CG2-CD1 3.33Å; A167-L283 HydrophobicContact CB-CD1 4.41Å; L283-E287 HydrophobicContact CD2-CB 4.11Å
284T96.9Very high89.5Confident66 Ų6689.4 Ų89.441%0.40543%0.43SS..PPolyproline II helixtrans-76.3166.4168.264.30000110.6Y282 E286 E287 F288Y282-T284 PolarHBondContact O-N 3.36Å; T284-E286 VanDerWaalsContact C-N 3.3Å; T284-E287 WeakPolarHBondContact CB-OE2 3.26Å; T284-E287 WeakPolarHBondContact CG2-OE2 3.47Å; T284-E287 PolarHBondContact N-OE2 3.49Å; T284-E287 WeakPolarHBondContact OG1-CB 3.37Å; T284-E287 VanDerWaalsContact OG1-CD 3.23Å; T284-E287 WeakPolarHBondContact OG1-CG 3.49Å; T284-E287 PolarHBondContact OG1-N 3.31Å; T284-E287 PolarHBondContact OG1-OE2 2.91Å; T284-F288 WeakPolarHBondContact O-CB 3.41Å; T284-F288 PolarHBondContact O-N 2.98Å
285E98.3Very high90.5Very high82 Ų8288.3 Ų88.338%0.38342%0.424SS..Hα-helixtrans-62.9-41.8175.4-176.3165.1165.300111.5W137 F288 R289W137-E285 VanDerWaalsContact CD1-CD 3.44Å; W137-E285 HydrophobicContact CD2-CB 4.18Å; W137-E285 HydrophobicContact CD2-CG 4.08Å; W137-E285 VanDerWaalsContact CE2-CB 3.45Å; W137-E285 HydrophobicContact CG-CG 4.06Å; W137-E285 HydrophobicContact CH2-CB 4.15Å; W137-E285 VanDerWaalsContact CH2-N 3.26Å; W137-E285 HydrophobicContact CZ2-CB 3.43Å; W137-E285 VanDerWaalsContact CZ2-CB 3.43Å; W137-E285 HydrophobicContact CZ2-CG 4.18Å; W137-E285 PolarHBondContact NE1-OE2 3.02Å; E285-F288 PolarHBondContact O-N 2.65Å; E285-R289 HydrophobicContact CG-CG 4.32Å; E285-R289 WeakPolarHBondContact O-CB 3.39Å; E285-R289 VanDerWaalsContact O-CG 3.28Å; E285-R289 WeakPolarHBondContact O-CG 3.1Å; E285-R289 PolarHBondContact O-N 2.69Å; E285-R289 IonicContact OE1-CZ 2.62Å; E285-R289 IonicContact OE1-NE 2.79Å; E285-R289 PolarHBondContact OE1-NE 3.02Å; E285-R289 IonicContact OE1-NH2 2.66Å; E285-R289 PolarHBondContact OE1-NH2 3.05Å
286E98.2Very high91.4Very high164 Ų16488 Ų8877%0.76642%0.423SS*.Hα-helixtrans-62.1-48.5-178.9-63.4178.5179.600110.7T284 R289 W290T284-E286 VanDerWaalsContact C-N 3.3Å; E286-R289 PolarHBondContact O-N 3.38Å; E286-W290 VanDerWaalsContact O-CB 3.32Å; E286-W290 WeakPolarHBondContact O-CB 3.37Å; E286-W290 PolarHBondContact O-N 2.85Å
287E96.8Very high92.5Very high88 Ų8884.1 Ų84.141%0.41140%0.395SS..Hα-helixtrans-63-45.8176.2-69.8164.2142.700111.8L283 T284 R289 W290 Q291L283-E287 HydrophobicContact CD2-CB 4.11Å; T284-E287 WeakPolarHBondContact CB-OE2 3.26Å; T284-E287 WeakPolarHBondContact CG2-OE2 3.47Å; T284-E287 PolarHBondContact N-OE2 3.49Å; T284-E287 WeakPolarHBondContact OG1-CB 3.37Å; T284-E287 VanDerWaalsContact OG1-CD 3.23Å; T284-E287 WeakPolarHBondContact OG1-CG 3.49Å; T284-E287 PolarHBondContact OG1-N 3.31Å; T284-E287 PolarHBondContact OG1-OE2 2.91Å; E287-R289 VanDerWaalsContact C-N 3.33Å; E287-R289 PolarHBondContact O-N 3.21Å; E287-W290 PolarHBondContact O-N 3.4Å; E287-Q291 WeakPolarHBondContact O-CB 3.27Å; E287-Q291 VanDerWaalsContact O-CG 3.23Å; E287-Q291 WeakPolarHBondContact O-CG 3.39Å; E287-Q291 PolarHBondContact O-N 3.34Å
288F98.1Very high93.6Very high6 Ų682.5 Ų82.53%0.02639%0.388CS..Hα-helixtrans-57.8-48177.9176.4-90.3000111.3W137 I140 Q164 A167 T284 E285 Q291 M292W137-F288 HydrophobicContact CB-CD1 3.87Å; W137-F288 HydrophobicContact CB-CE1 3.86Å; W137-F288 HydrophobicContact CD2-CD1 4.45Å; W137-F288 HydrophobicContact CE3-CB 3.69Å; W137-F288 AromaticContact CE3-CD1 3.9Å; W137-F288 HydrophobicContact CE3-CD1 3.9Å; W137-F288 HydrophobicContact CE3-CD2 4.14Å; W137-F288 AromaticContact CE3-CG 3.63Å; W137-F288 HydrophobicContact CE3-CG 3.63Å; W137-F288 HydrophobicContact CZ3-CB 3.79Å; W137-F288 HydrophobicContact CZ3-CG 4.15Å; I140-F288 HydrophobicContact CD1-CE2 3.93Å; I140-F288 HydrophobicContact CD1-CZ 4.16Å; Q164-F288 HydrophobicContact CG-CE2 4.11Å; Q164-F288 HydrophobicContact CG-CZ 4.05Å; A167-F288 HydrophobicContact CB-CD2 3.9Å; A167-F288 HydrophobicContact CB-CE2 4.03Å; T284-F288 WeakPolarHBondContact O-CB 3.41Å; T284-F288 PolarHBondContact O-N 2.98Å; E285-F288 PolarHBondContact O-N 2.65Å; F288-Q291 PolarHBondContact O-N 3.38Å; F288-M292 HydrophobicContact CD1-CG 4.25Å; F288-M292 HydrophobicContact CE1-CG 3.83Å; F288-M292 HydrophobicContact CE2-CG 4.32Å; F288-M292 HydrophobicContact CZ-CG 3.87Å; F288-M292 HydrophobicContact CZ-SD 4.45Å; F288-M292 WeakPolarHBondContact O-CB 3.38Å; F288-M292 VanDerWaalsContact O-CG 3.3Å; F288-M292 WeakPolarHBondContact O-CG 3.46Å; F288-M292 PolarHBondContact O-N 2.97Å
289R98.4Very high94.8Very high111 Ų11179.4 Ų79.442%0.41938%0.376SS..Hα-helixtrans-65.9-39.7179.7-72-178.3-174.6-71.3-1.2111.6E138 E285 E286 E287 N293E138-R289 IonicContact OE1-CZ 3.57Å; E138-R289 IonicContact OE1-NH1 2.92Å; E138-R289 IonicContact OE1-NH2 3.67Å; E138-R289 PolarHBondContact OE1-NH2 3.28Å; E285-R289 HydrophobicContact CG-CG 4.32Å; E285-R289 WeakPolarHBondContact O-CB 3.39Å; E285-R289 VanDerWaalsContact O-CG 3.28Å; E285-R289 WeakPolarHBondContact O-CG 3.1Å; E285-R289 PolarHBondContact O-N 2.69Å; E285-R289 IonicContact OE1-CZ 2.62Å; E285-R289 IonicContact OE1-NE 2.79Å; E285-R289 PolarHBondContact OE1-NE 3.02Å; E285-R289 IonicContact OE1-NH2 2.66Å; E285-R289 PolarHBondContact OE1-NH2 3.05Å; E286-R289 PolarHBondContact O-N 3.38Å; E287-R289 VanDerWaalsContact C-N 3.33Å; E287-R289 PolarHBondContact O-N 3.21Å; R289-N293 VanDerWaalsContact O-CB 3.31Å; R289-N293 WeakPolarHBondContact O-CB 3.3Å; R289-N293 PolarHBondContact O-N 2.98Å
290W98.2Very high95.9Very high152 Ų15280.8 Ų80.858%0.57638%0.381SS*.Hα-helixtrans-62.2-49.9176.2-175.8-96.4000111.9E286 E287 M292 N293 E294E286-W290 VanDerWaalsContact O-CB 3.32Å; E286-W290 WeakPolarHBondContact O-CB 3.37Å; E286-W290 PolarHBondContact O-N 2.85Å; E287-W290 PolarHBondContact O-N 3.4Å; W290-M292 VanDerWaalsContact C-N 3.33Å; W290-M292 PolarHBondContact O-N 3.23Å; W290-N293 WeakPolarHBondContact O-CB 3.2Å; W290-N293 PolarHBondContact O-N 3.27Å; W290-E294 HydrophobicContact CZ2-CG 4.43Å; W290-E294 PolarHBondContact O-N 3.48Å
291Q97.5Very high97Very high57 Ų5774.3 Ų74.327%0.26634%0.344SS..Hα-helixtrans-66-35.9-179.3-66.2-62.7-23.500112.6Y163 E287 F288 N293 D295Y163-Q291 HydrophobicContact CD1-CB 3.95Å; Y163-Q291 HydrophobicContact CD1-CG 3.79Å; Y163-Q291 HydrophobicContact CD2-CB 3.49Å; Y163-Q291 VanDerWaalsContact CD2-CB 3.49Å; Y163-Q291 HydrophobicContact CD2-CG 3.95Å; Y163-Q291 HydrophobicContact CE1-CB 4.23Å; Y163-Q291 HydrophobicContact CE1-CG 3.63Å; Y163-Q291 HydrophobicContact CE2-CB 3.8Å; Y163-Q291 HydrophobicContact CE2-CG 3.79Å; Y163-Q291 HydrophobicContact CG-CB 3.56Å; Y163-Q291 HydrophobicContact CG-CG 3.92Å; Y163-Q291 VanDerWaalsContact CZ-CD 3.42Å; Y163-Q291 VanDerWaalsContact CZ-OE1 3.3Å; Y163-Q291 PolarHBondContact OH-OE1 3.06Å; E287-Q291 WeakPolarHBondContact O-CB 3.27Å; E287-Q291 VanDerWaalsContact O-CG 3.23Å; E287-Q291 WeakPolarHBondContact O-CG 3.39Å; E287-Q291 PolarHBondContact O-N 3.34Å; F288-Q291 PolarHBondContact O-N 3.38Å; Q291-N293 VanDerWaalsContact C-N 3.34Å; Q291-D295 PolarHBondContact O-N 3.38Å
292M98.2Very high97.5Very high10 Ų1068.5 Ų68.55%0.04932%0.318CS..Hα-helixtrans-64.5-39.6170.8-75.8-62.6-61.100111.8Q164 F288 W290 D295 A298 N299 L302Q164-M292 HydrophobicContact CG-CE 4.2Å; Q164-M292 HydrophobicContact CG-SD 3.54Å; Q164-M292 VanDerWaalsContact CG-SD 3.54Å; F288-M292 HydrophobicContact CD1-CG 4.25Å; F288-M292 HydrophobicContact CE1-CG 3.83Å; F288-M292 HydrophobicContact CE2-CG 4.32Å; F288-M292 HydrophobicContact CZ-CG 3.87Å; F288-M292 HydrophobicContact CZ-SD 4.45Å; F288-M292 WeakPolarHBondContact O-CB 3.38Å; F288-M292 VanDerWaalsContact O-CG 3.3Å; F288-M292 WeakPolarHBondContact O-CG 3.46Å; F288-M292 PolarHBondContact O-N 2.97Å; W290-M292 VanDerWaalsContact C-N 3.33Å; W290-M292 PolarHBondContact O-N 3.23Å; M292-D295 CarbonylContact O-C 3.41Å; M292-D295 PolarHBondContact O-N 2.95Å; M292-D295 VanDerWaalsContact O-O 3.1Å; M292-A298 HydrophobicContact CE-CB 3.82Å; M292-A298 HydrophobicContact SD-CB 4.22Å; M292-N299 WeakPolarHBondContact O-CB 3.42Å; M292-L302 HydrophobicContact CE-CB 4.37Å; M292-L302 HydrophobicContact CE-CD2 3.82Å
293N98.1Very high97.8Very high94 Ų9463.4 Ų63.450%0.50331%0.305SS..Hα-helixtrans-67.3-38.6178.7-178.482.1000112.8R289 W290 Q291 D295R289-N293 VanDerWaalsContact O-CB 3.31Å; R289-N293 WeakPolarHBondContact O-CB 3.3Å; R289-N293 PolarHBondContact O-N 2.98Å; W290-N293 WeakPolarHBondContact O-CB 3.2Å; W290-N293 PolarHBondContact O-N 3.27Å; Q291-N293 VanDerWaalsContact C-N 3.34Å; N293-D295 VanDerWaalsContact C-N 3.28Å; N293-D295 PolarHBondContact O-N 3.41Å
294E98Very high98Very high125 Ų12564.4 Ų64.458%0.58431%0.31SS*.Hα-helixtrans-68.9-25.9176.4-71.3-68.696.200112.7W290 E296W290-E294 HydrophobicContact CZ2-CG 4.43Å; W290-E294 PolarHBondContact O-N 3.48Å; E294-E296 PolarHBondContact O-N 3.38Å
295D98Very high98.1Very high45 Ų4561.3 Ų61.324%0.24129%0.291CS..  trans-89.683172.5-170.4-21.5000110.4Q291 M292 N293 M297 A298 N299Q291-D295 PolarHBondContact O-N 3.38Å; M292-D295 CarbonylContact O-C 3.41Å; M292-D295 PolarHBondContact O-N 2.95Å; M292-D295 VanDerWaalsContact O-O 3.1Å; N293-D295 VanDerWaalsContact C-N 3.28Å; N293-D295 PolarHBondContact O-N 3.41Å; D295-M297 PolarHBondContact O-N 2.94Å; D295-M297 VanDerWaalsContact O-N 3.1Å; D295-M297 PolarHBondContact OD1-N 2.74Å; D295-A298 HydrophobicContact CB-CB 3.9Å; D295-A298 PolarHBondContact O-N 3.2Å; D295-A298 PolarHBondContact OD1-N 2.97Å; D295-A298 WeakPolarHBondContact OD2-CB 3.13Å; D295-N299 PolarHBondContact O-N 3.38Å
296E97.8Very high98.1Very high91 Ų9158 Ų5843%0.42528%0.276SS..Hα-helixtrans-47.4-42.7-179.6-171-171.3175.600111.9W186 K190 E294 D300W186-E296 HydrophobicContact CZ2-CB 4.15Å; W186-E296 HydrophobicContact CZ2-CG 3.92Å; K190-E296 WeakPolarHBondContact CE-OE2 3.45Å; K190-E296 IonicContact NZ-OE1 3.66Å; K190-E296 PolarHBondContact NZ-OE1 2.95Å; K190-E296 IonicContact NZ-OE2 3.42Å; K190-E296 PolarHBondContact NZ-OE2 3.41Å; E294-E296 PolarHBondContact O-N 3.38Å; E296-D300 WeakPolarHBondContact O-CB 3.48Å; E296-D300 VanDerWaalsContact O-CG 3.28Å; E296-D300 PolarHBondContact O-N 3.48Å
297M98.2Very high98.1Very high9 Ų957.3 Ų57.34%0.04427%0.266CS..Hα-helixtrans-64.1-49.3179.8-178.9-82.9-55.300111.7F160 V183 W186 Y187 D295 K301F160-M297 HydrophobicContact CB-CE 4.34Å; F160-M297 HydrophobicContact CB-SD 4.01Å; F160-M297 WeakPolarHBondContact O-CE 3.32Å; V183-M297 HydrophobicContact CB-SD 4.3Å; V183-M297 HydrophobicContact CG1-CE 3.97Å; V183-M297 HydrophobicContact CG1-SD 4.15Å; V183-M297 HydrophobicContact CG2-CE 4.04Å; V183-M297 HydrophobicContact CG2-SD 3.88Å; W186-M297 HydrophobicContact CB-CG 3.68Å; W186-M297 HydrophobicContact CD2-CB 3.56Å; W186-M297 HydrophobicContact CD2-CG 3.43Å; W186-M297 VanDerWaalsContact CD2-CG 3.43Å; W186-M297 HydrophobicContact CE3-CB 3.67Å; W186-M297 HydrophobicContact CE3-CG 3.62Å; W186-M297 HydrophobicContact CG-CB 4.07Å; W186-M297 HydrophobicContact CG-CG 3.47Å; W186-M297 VanDerWaalsContact CG-CG 3.47Å; W186-M297 HydrophobicContact CH2-CB 4.07Å; W186-M297 HydrophobicContact CZ2-CB 3.99Å; W186-M297 HydrophobicContact CZ3-CB 3.92Å; W186-M297 HydrophobicContact CZ3-CG 4.36Å; Y187-M297 HydrophobicContact CD2-CG 4.45Å; Y187-M297 HydrophobicContact CE2-CE 4.49Å; Y187-M297 HydrophobicContact CE2-CG 4.17Å; D295-M297 PolarHBondContact O-N 2.94Å; D295-M297 VanDerWaalsContact O-N 3.1Å; D295-M297 PolarHBondContact OD1-N 2.74Å; M297-K301 HydrophobicContact CG-CG 4.44Å; M297-K301 VanDerWaalsContact O-CB 3.25Å; M297-K301 WeakPolarHBondContact O-CB 3.33Å; M297-K301 WeakPolarHBondContact O-CG 3.39Å; M297-K301 PolarHBondContact O-N 3.03Å; M297-K301 HydrophobicContact SD-CG 4.18Å
298A98.6Very high98.2Very high0 Ų059.5 Ų59.50%027%0.271CS..Hα-helixtrans-67.3-41.3-178.600000112.3F160 M292 D295 L302F160-A298 HydrophobicContact CB-CB 3.84Å; M292-A298 HydrophobicContact CE-CB 3.82Å; M292-A298 HydrophobicContact SD-CB 4.22Å; D295-A298 HydrophobicContact CB-CB 3.9Å; D295-A298 PolarHBondContact O-N 3.2Å; D295-A298 PolarHBondContact OD1-N 2.97Å; D295-A298 WeakPolarHBondContact OD2-CB 3.13Å; A298-L302 VanDerWaalsContact O-CB 3.25Å; A298-L302 WeakPolarHBondContact O-CB 3.45Å; A298-L302 PolarHBondContact O-N 3.34Å
299N98.2Very high98.2Very high71 Ų7159.2 Ų59.238%0.3827%0.269SS..Hα-helixtrans-56.6-52.8174.7-178.865.8000111.3M292 D295 A303M292-N299 WeakPolarHBondContact O-CB 3.42Å; D295-N299 PolarHBondContact O-N 3.38Å; N299-A303 PolarHBondContact O-N 3.47Å
300D97.2Very high98.2Very high67 Ų6754.7 Ų54.736%0.35826%0.256SS..Hα-helixtrans-65.4-45.2-177.3-76.5-6.4000112.2E296 A303 D304E296-D300 WeakPolarHBondContact O-CB 3.48Å; E296-D300 VanDerWaalsContact O-CG 3.28Å; E296-D300 PolarHBondContact O-N 3.48Å; D300-A303 PolarHBondContact O-N 3.45Å; D300-D304 VanDerWaalsContact O-CB 3.28Å; D300-D304 WeakPolarHBondContact O-CB 3.39Å; D300-D304 PolarHBondContact O-N 3.07Å
301K98.6Very high98.3Very high31 Ų3154 Ų5414%0.13526%0.257CS..Hα-helixtrans-73-32.6-175.7-72.7-60.8-171.4-177.30113.2F160 R182 W186 M297 G305F160-K301 HydrophobicContact CD1-CB 3.76Å; F160-K301 HydrophobicContact CD1-CG 4.47Å; F160-K301 HydrophobicContact CD2-CB 3.78Å; F160-K301 HydrophobicContact CE1-CB 3.83Å; F160-K301 HydrophobicContact CE2-CB 3.86Å; F160-K301 VanDerWaalsContact CE2-O 3.32Å; F160-K301 WeakPolarHBondContact CE2-O 3.46Å; F160-K301 HydrophobicContact CG-CB 3.74Å; F160-K301 HydrophobicContact CZ-CB 3.89Å; R182-K301 VanDerWaalsContact O-CE 3.25Å; R182-K301 WeakPolarHBondContact O-CE 3.48Å; W186-K301 HydrophobicContact CB-CD 4.45Å; W186-K301 HydrophobicContact CB-CG 4.26Å; W186-K301 HydrophobicContact CG-CG 4.4Å; M297-K301 HydrophobicContact CG-CG 4.44Å; M297-K301 VanDerWaalsContact O-CB 3.25Å; M297-K301 WeakPolarHBondContact O-CB 3.33Å; M297-K301 WeakPolarHBondContact O-CG 3.39Å; M297-K301 PolarHBondContact O-N 3.03Å; M297-K301 HydrophobicContact SD-CG 4.18Å; K301-G305 PolarHBondContact O-N 3.15Å
302L98.7Very high98.3Very high19 Ų1952.8 Ų52.810%0.09925%0.252CS..Hα-helixtrans-62.4-50.9171.217857.6000110.3T136 L158 F160 M292 A298 D304 G305 I306T136-L302 HydrophobicContact CG2-CD1 4.25Å; T136-L302 HydrophobicContact CG2-CD2 4.17Å; T136-L302 HydrophobicContact CG2-CG 4.47Å; L158-L302 HydrophobicContact CB-CD1 3.78Å; L158-L302 HydrophobicContact CD1-CD1 4.39Å; F160-L302 HydrophobicContact CD2-CB 4.19Å; F160-L302 HydrophobicContact CE2-CB 4.45Å; M292-L302 HydrophobicContact CE-CB 4.37Å; M292-L302 HydrophobicContact CE-CD2 3.82Å; A298-L302 VanDerWaalsContact O-CB 3.25Å; A298-L302 WeakPolarHBondContact O-CB 3.45Å; A298-L302 PolarHBondContact O-N 3.34Å; L302-D304 PolarHBondContact O-N 3.49Å; L302-G305 PolarHBondContact O-N 3.46Å; L302-I306 HydrophobicContact CD1-CD1 4Å; L302-I306 HydrophobicContact CD1-CG1 4.38Å; L302-I306 HydrophobicContact CG-CD1 4.21Å; L302-I306 WeakPolarHBondContact O-CG1 3.46Å; L302-I306 PolarHBondContact O-N 3.13Å
303A98.4Very high98.3Very high33 Ų3352.5 Ų52.527%0.27325%0.251SS..Hα-helixtrans-63.4-43.2-179.900000112.3N299 D300 R307N299-A303 PolarHBondContact O-N 3.47Å; D300-A303 PolarHBondContact O-N 3.45Å; A303-R307 WeakPolarHBondContact O-CG 3.37Å; A303-R307 PolarHBondContact O-N 2.84Å; A303-R307 VanDerWaalsContact O-N 3.15Å; A303-R307 PolarHBondContact O-NH1 2.97Å
304D98.4Very high98.3Very high32 Ų3252.3 Ų52.317%0.17125%0.25CC..Hα-helixtrans-62-42.7174.317867.6000112.1D300 L302 I306 R307 R308D300-D304 VanDerWaalsContact O-CB 3.28Å; D300-D304 WeakPolarHBondContact O-CB 3.39Å; D300-D304 PolarHBondContact O-N 3.07Å; L302-D304 PolarHBondContact O-N 3.49Å; D304-I306 PolarHBondContact O-N 3.42Å; D304-R307 VanDerWaalsContact CA-NH2 3.33Å; D304-R307 PolarHBondContact O-N 3.04Å; D304-R308 VanDerWaalsContact CG-NE 3.28Å; D304-R308 WeakPolarHBondContact O-CG 3.18Å; D304-R308 PolarHBondContact O-N 3.35Å; D304-R308 IonicContact OD1-CZ 2.71Å; D304-R308 IonicContact OD1-NE 3.2Å; D304-R308 PolarHBondContact OD1-NE 3.02Å; D304-R308 VanDerWaalsContact OD1-NE 3.09Å; D304-R308 IonicContact OD1-NH2 3.37Å; D304-R308 PolarHBondContact OD1-NH2 3.5Å; D304-R308 IonicContact OD2-CZ 3.03Å; D304-R308 IonicContact OD2-NE 3.7Å; D304-R308 PolarHBondContact OD2-NE 2.71Å; D304-R308 IonicContact OD2-NH2 3.75Å
305G98.5Very high98.3Very high0 Ų050.1 Ų50.10%024%0.242CC..Hα-helixtrans-59.2-48.2178.300000112.9K301 L302 R307 R308 F309K301-G305 PolarHBondContact O-N 3.15Å; L302-G305 PolarHBondContact O-N 3.46Å; G305-R307 PolarHBondContact O-N 3.44Å; G305-R308 PolarHBondContact O-N 3.22Å; G305-F309 PolarHBondContact O-N 3.02Å
306I98.7Very high98.2Very high13 Ų1348 Ų487%0.06723%0.231CC..Hα-helixtrans-60.7-46.2177.4-67.5168.9000110.4A99 F103 T136 L158 L302 D304 R308 F309 A310A99-I306 HydrophobicContact CB-CG2 4.36Å; F103-I306 HydrophobicContact CE1-CD1 4.22Å; F103-I306 HydrophobicContact CE2-CD1 4.27Å; F103-I306 HydrophobicContact CE2-CG2 4.49Å; F103-I306 HydrophobicContact CZ-CD1 3.65Å; T136-I306 HydrophobicContact CG2-CD1 3.65Å; L158-I306 HydrophobicContact CD1-CG1 3.68Å; L302-I306 HydrophobicContact CD1-CD1 4Å; L302-I306 HydrophobicContact CD1-CG1 4.38Å; L302-I306 HydrophobicContact CG-CD1 4.21Å; L302-I306 WeakPolarHBondContact O-CG1 3.46Å; L302-I306 PolarHBondContact O-N 3.13Å; D304-I306 PolarHBondContact O-N 3.42Å; I306-R308 VanDerWaalsContact C-N 3.33Å; I306-R308 PolarHBondContact O-N 3.2Å; I306-F309 PolarHBondContact O-N 2.77Å; I306-A310 VanDerWaalsContact O-CB 3.31Å; I306-A310 WeakPolarHBondContact O-CB 3.49Å; I306-A310 PolarHBondContact O-N 3.18Å
307R98.7Very high98.2Very high149 Ų14945.3 Ų45.356%0.56222%0.218SC*.Hα-helixtrans-59.9-41.2178.3-74.1-173-62.2-932.9112.5A303 D304 G305 K311A303-R307 WeakPolarHBondContact O-CG 3.37Å; A303-R307 PolarHBondContact O-N 2.84Å; A303-R307 VanDerWaalsContact O-N 3.15Å; A303-R307 PolarHBondContact O-NH1 2.97Å; D304-R307 VanDerWaalsContact CA-NH2 3.33Å; D304-R307 PolarHBondContact O-N 3.04Å; G305-R307 PolarHBondContact O-N 3.44Å; R307-K311 WeakPolarHBondContact O-CB 3.47Å; R307-K311 PolarHBondContact O-N 2.92Å
308R98.4Very high98.2Very high134 Ų13449.4 Ų49.451%0.50624%0.24SC..Hα-helixtrans-67.1-47.5178.9-72.3175.9-173-96.3-4.5111.9D304 G305 I306 A310 K311 D312D304-R308 VanDerWaalsContact CG-NE 3.28Å; D304-R308 WeakPolarHBondContact O-CG 3.18Å; D304-R308 PolarHBondContact O-N 3.35Å; D304-R308 IonicContact OD1-CZ 2.71Å; D304-R308 IonicContact OD1-NE 3.2Å; D304-R308 PolarHBondContact OD1-NE 3.02Å; D304-R308 VanDerWaalsContact OD1-NE 3.09Å; D304-R308 IonicContact OD1-NH2 3.37Å; D304-R308 PolarHBondContact OD1-NH2 3.5Å; D304-R308 IonicContact OD2-CZ 3.03Å; D304-R308 IonicContact OD2-NE 3.7Å; D304-R308 PolarHBondContact OD2-NE 2.71Å; D304-R308 IonicContact OD2-NH2 3.75Å; G305-R308 PolarHBondContact O-N 3.22Å; I306-R308 VanDerWaalsContact C-N 3.33Å; I306-R308 PolarHBondContact O-N 3.2Å; R308-A310 PolarHBondContact O-N 3.29Å; R308-K311 WeakPolarHBondContact O-CB 3.34Å; R308-K311 PolarHBondContact O-N 3.47Å; R308-D312 PolarHBondContact O-N 2.77Å
309F98.4Very high98.1Very high0 Ų052 Ų520%025%0.254CS..Hα-helixtrans-64.4-39.8178.1-72.2-14.2000112.4N35 P36 E96 A99 L158 F179 G305 I306 K311 D312 A313N35-F309 HydrophobicContact CB-CE1 4.15Å; N35-F309 HydrophobicContact CB-CZ 4.01Å; P36-F309 HydrophobicContact CG-CB 4.1Å; P36-F309 HydrophobicContact CG-CG 4.39Å; E96-F309 WeakPolarHBondContact OE1-CD2 3.48Å; E96-F309 WeakPolarHBondContact OE1-CE2 3.29Å; A99-F309 HydrophobicContact CB-CB 3.69Å; L158-F309 HydrophobicContact CD1-CD2 4.04Å; L158-F309 HydrophobicContact CD1-CE2 4.21Å; L158-F309 HydrophobicContact CD2-CD2 4.19Å; L158-F309 HydrophobicContact CD2-CE2 3.64Å; L158-F309 HydrophobicContact CD2-CZ 4.19Å; L158-F309 HydrophobicContact CG-CD2 4.29Å; L158-F309 HydrophobicContact CG-CE2 3.94Å; F179-F309 HydrophobicContact CE2-CZ 4.3Å; F179-F309 HydrophobicContact CZ-CZ 4.39Å; G305-F309 PolarHBondContact O-N 3.02Å; I306-F309 PolarHBondContact O-N 2.77Å; F309-K311 PolarHBondContact O-N 2.92Å; F309-D312 PolarHBondContact O-N 3.35Å; F309-A313 WeakPolarHBondContact O-CB 3.37Å; F309-A313 PolarHBondContact O-N 3.42Å
310A98.4Very high98.1Very high16 Ų1648.7 Ų48.713%0.13224%0.236CC..Hα-helixtrans-62-42.1172.200000112.1R100 I306 R308 A313 L314R100-A310 HydrophobicContact CG-CB 3.7Å; I306-A310 VanDerWaalsContact O-CB 3.31Å; I306-A310 WeakPolarHBondContact O-CB 3.49Å; I306-A310 PolarHBondContact O-N 3.18Å; R308-A310 PolarHBondContact O-N 3.29Å; A310-A313 PolarHBondContact O-N 3.3Å; A310-L314 WeakPolarHBondContact O-CG 3.42Å; A310-L314 PolarHBondContact O-N 3.34Å
311K98.6Very high98.1Very high138 Ų13849.4 Ų49.460%0.624%0.236SC*.Hα-helixtrans-61.6-43.9176.2-177.8-179.6177.6-179.50111.9R307 R308 F309 L314 L315R307-K311 WeakPolarHBondContact O-CB 3.47Å; R307-K311 PolarHBondContact O-N 2.92Å; R308-K311 WeakPolarHBondContact O-CB 3.34Å; R308-K311 PolarHBondContact O-N 3.47Å; F309-K311 PolarHBondContact O-N 2.92Å; K311-L314 PolarHBondContact O-N 3.02Å; K311-L315 WeakPolarHBondContact O-CG 3.38Å; K311-L315 PolarHBondContact O-N 3.01Å; K311-L315 VanDerWaalsContact O-N 3.07Å
312D98.3Very high98Very high32 Ų3250.4 Ų50.417%0.17125%0.245CC..Hα-helixtrans-68.6-35.8179.4-68.3-27000111.9P36 S37 L40 R308 F309 L315 L316P36-D312 HydrophobicContact CB-CB 4.08Å; S37-D312 VanDerWaalsContact CB-OD2 3.29Å; S37-D312 WeakPolarHBondContact CB-OD2 3.38Å; S37-D312 PolarHBondContact OG-OD2 3.22Å; L40-D312 HydrophobicContact CD2-CB 4.07Å; R308-D312 PolarHBondContact O-N 2.77Å; F309-D312 PolarHBondContact O-N 3.35Å; D312-L315 PolarHBondContact O-N 3.5Å; D312-L316 PolarHBondContact O-N 2.84Å; D312-L316 VanDerWaalsContact O-N 3.1Å
313A97.6Very high97.7Very high3 Ų352.5 Ų52.53%0.02525%0.251CS..Hα-helixtrans-61.3-45171.200000111.7L74 F309 A310 L315 L316 E317L74-A313 HydrophobicContact CD2-CB 4.42Å; F309-A313 WeakPolarHBondContact O-CB 3.37Å; F309-A313 PolarHBondContact O-N 3.42Å; A310-A313 PolarHBondContact O-N 3.3Å; A313-L315 VanDerWaalsContact C-N 3.31Å; A313-L315 PolarHBondContact O-N 3.15Å; A313-L316 CarbonylContact O-C 3.59Å; A313-L316 WeakPolarHBondContact O-CA 3.25Å; A313-L316 WeakPolarHBondContact O-CB 3.24Å; A313-L316 PolarHBondContact O-N 2.85Å; A313-E317 WeakPolarHBondContact O-CG 3.47Å; A313-E317 PolarHBondContact O-N 2.92Å
314L98Very high97.6Very high90 Ų9050.9 Ų50.947%0.47124%0.238SC..Hα-helixtrans-61-37.1175.8-71.4170000112.8A310 K311 L316 E317 D318A310-L314 WeakPolarHBondContact O-CG 3.42Å; A310-L314 PolarHBondContact O-N 3.34Å; K311-L314 PolarHBondContact O-N 3.02Å; L314-L316 VanDerWaalsContact C-N 3.29Å; L314-L316 PolarHBondContact O-N 3.38Å; L314-E317 WeakPolarHBondContact CD2-OE2 3.25Å; L314-E317 WeakPolarHBondContact O-CB 3.4Å; L314-E317 PolarHBondContact O-N 3.12Å; L314-D318 PolarHBondContact O-N 3.05Å
315L98.2Very high97.3Very high80 Ų8053.1 Ų53.142%0.41925%0.248SC..Hα-helixtrans-66.2-34.2174.3-70.4174.1000112L40 K311 D312 A313 L319L40-L315 HydrophobicContact CD1-CB 4.17Å; L40-L315 HydrophobicContact CD2-CB 3.85Å; L40-L315 HydrophobicContact CD2-CD1 3.91Å; K311-L315 WeakPolarHBondContact O-CG 3.38Å; K311-L315 PolarHBondContact O-N 3.01Å; K311-L315 VanDerWaalsContact O-N 3.07Å; D312-L315 PolarHBondContact O-N 3.5Å; A313-L315 VanDerWaalsContact C-N 3.31Å; A313-L315 PolarHBondContact O-N 3.15Å; L315-L319 PolarHBondContact O-N 3.31Å; L315-L319 VanDerWaalsContact O-N 3.16Å
316L97.2Very high97Very high1 Ų157.8 Ų57.81%0.00527%0.269CS..Hα-helixtrans-72.4-37.6174.7-172.553.2000111.5I39 L40 C43 L74 I77 F78 D312 A313 L314 D318 L319 I320I39-L316 HydrophobicContact CG2-CD2 3.79Å; L40-L316 HydrophobicContact CD1-CB 4.22Å; L40-L316 HydrophobicContact CD1-CD1 4.45Å; C43-L316 HydrophobicContact CB-CD1 3.85Å; L74-L316 HydrophobicContact CD1-CB 3.94Å; L74-L316 HydrophobicContact CD1-CD2 3.4Å; L74-L316 HydrophobicContact CD1-CG 3.61Å; I77-L316 HydrophobicContact CG2-CD2 4.44Å; F78-L316 HydrophobicContact CE2-CD2 3.86Å; D312-L316 PolarHBondContact O-N 2.84Å; D312-L316 VanDerWaalsContact O-N 3.1Å; A313-L316 CarbonylContact O-C 3.59Å; A313-L316 WeakPolarHBondContact O-CA 3.25Å; A313-L316 WeakPolarHBondContact O-CB 3.24Å; A313-L316 PolarHBondContact O-N 2.85Å; L314-L316 VanDerWaalsContact C-N 3.29Å; L314-L316 PolarHBondContact O-N 3.38Å; L316-D318 VanDerWaalsContact C-N 3.33Å; L316-D318 PolarHBondContact O-N 3.03Å; L316-L319 HydrophobicContact CD1-CD2 4.01Å; L316-L319 WeakPolarHBondContact O-CB 3.43Å; L316-L319 PolarHBondContact O-N 3.5Å; L316-I320 HydrophobicContact CG-CD1 4.29Å; L316-I320 WeakPolarHBondContact O-CD1 3.39Å; L316-I320 WeakPolarHBondContact O-CG1 3.43Å; L316-I320 PolarHBondContact O-N 2.91Å
317E97.8Very high96.4Very high34 Ų3459.3 Ų59.316%0.15928%0.276CS..Hα-helixtrans-58.6-42.5170.7-71.1-172161.400112.4I70 L74 R100 A313 L314 L319 I320 K321I70-E317 HydrophobicContact CG2-CB 3.59Å; I70-E317 HydrophobicContact CG2-CG 3.57Å; L74-E317 HydrophobicContact CD2-CG 4.01Å; R100-E317 IonicContact CZ-OE1 2.89Å; R100-E317 IonicContact CZ-OE2 3.62Å; R100-E317 IonicContact NH1-OE1 2.75Å; R100-E317 PolarHBondContact NH1-OE1 3.38Å; R100-E317 VanDerWaalsContact NH1-OE1 3.14Å; R100-E317 IonicContact NH1-OE2 3.62Å; R100-E317 PolarHBondContact NH1-OE2 3.43Å; R100-E317 VanDerWaalsContact NH1-OE2 3.1Å; R100-E317 IonicContact NH2-OE1 2.65Å; R100-E317 PolarHBondContact NH2-OE1 3.1Å; R100-E317 IonicContact NH2-OE2 2.82Å; A313-E317 WeakPolarHBondContact O-CG 3.47Å; A313-E317 PolarHBondContact O-N 2.92Å; L314-E317 WeakPolarHBondContact CD2-OE2 3.25Å; L314-E317 WeakPolarHBondContact O-CB 3.4Å; L314-E317 PolarHBondContact O-N 3.12Å; E317-L319 VanDerWaalsContact C-N 3.35Å; E317-I320 PolarHBondContact O-N 3.41Å; E317-K321 WeakPolarHBondContact O-CB 3.37Å; E317-K321 PolarHBondContact O-N 2.9Å
318D97.7Very high95.8Very high95 Ų9557.7 Ų57.751%0.50828%0.275SS..Hα-helixtrans-64.5-39.3176.6-172.363.3000112.2L314 L316 K321 T322L314-D318 PolarHBondContact O-N 3.05Å; L316-D318 VanDerWaalsContact C-N 3.33Å; L316-D318 PolarHBondContact O-N 3.03Å; D318-K321 PolarHBondContact O-N 3.33Å; D318-T322 WeakPolarHBondContact O-CB 3.45Å; D318-T322 PolarHBondContact O-N 3.04Å; D318-T322 PolarHBondContact O-OG1 3.26Å
319L96.2Very high95.1Very high55 Ų5559.2 Ų59.229%0.28829%0.288SS..Hα-helixtrans-61.7-45.5172.9-17865.6000111.6C43 L52 L315 L316 E317 R323C43-L319 HydrophobicContact CB-CD2 4.03Å; L52-L319 HydrophobicContact CD2-CD2 3.82Å; L52-L319 HydrophobicContact CD2-CG 4.31Å; L315-L319 PolarHBondContact O-N 3.31Å; L315-L319 VanDerWaalsContact O-N 3.16Å; L316-L319 HydrophobicContact CD1-CD2 4.01Å; L316-L319 WeakPolarHBondContact O-CB 3.43Å; L316-L319 PolarHBondContact O-N 3.5Å; E317-L319 VanDerWaalsContact C-N 3.35Å; L319-R323 WeakPolarHBondContact O-CB 3.28Å; L319-R323 PolarHBondContact O-N 3.49Å
320I97.5Very high94.2Very high0 Ų067.1 Ų67.10%033%0.325CS..Hα-helixtrans-61.7-49177-68.4162.4000110.3I56 I70 A73 L74 I77 L316 E317 T322 R323 I324I56-I320 HydrophobicContact CD1-CG2 4.37Å; I56-I320 HydrophobicContact CG1-CG2 4.05Å; I70-I320 HydrophobicContact CB-CG2 4.48Å; I70-I320 HydrophobicContact CG1-CG2 4.16Å; I70-I320 HydrophobicContact CG2-CG2 4.48Å; A73-I320 HydrophobicContact CB-CD1 4.37Å; A73-I320 HydrophobicContact CB-CG2 3.82Å; L74-I320 HydrophobicContact CB-CD1 3.91Å; L74-I320 HydrophobicContact CD1-CD1 4.23Å; I77-I320 HydrophobicContact CD1-CD1 3.62Å; I77-I320 HydrophobicContact CD1-CG1 3.68Å; L316-I320 HydrophobicContact CG-CD1 4.29Å; L316-I320 WeakPolarHBondContact O-CD1 3.39Å; L316-I320 WeakPolarHBondContact O-CG1 3.43Å; L316-I320 PolarHBondContact O-N 2.91Å; E317-I320 PolarHBondContact O-N 3.41Å; I320-T322 PolarHBondContact O-N 3.43Å; I320-R323 PolarHBondContact O-N 2.92Å; I320-R323 VanDerWaalsContact O-N 3.12Å; I320-I324 HydrophobicContact CG2-CD1 3.78Å; I320-I324 HydrophobicContact CG2-CG1 4.39Å; I320-I324 WeakPolarHBondContact O-CG1 3.5Å; I320-I324 PolarHBondContact O-N 2.73Å
321K97.6Very high92.9Very high82 Ų8273.9 Ų73.936%0.35737%0.371SS..Hα-helixtrans-57.2-49.3179.4-178.7-179.4176.9-175.90111.6I70 E317 D318 R323 I324 Q325I70-K321 HydrophobicContact CD1-CB 3.73Å; I70-K321 HydrophobicContact CD1-CD 4.27Å; I70-K321 HydrophobicContact CD1-CG 3.97Å; I70-K321 HydrophobicContact CG1-CB 4.32Å; E317-K321 WeakPolarHBondContact O-CB 3.37Å; E317-K321 PolarHBondContact O-N 2.9Å; D318-K321 PolarHBondContact O-N 3.33Å; K321-R323 PolarHBondContact O-N 3.41Å; K321-I324 PolarHBondContact O-N 3.17Å; K321-Q325 WeakPolarHBondContact O-CG 3.47Å; K321-Q325 PolarHBondContact O-N 3.29Å
322T95.9Very high92.7Very high53 Ų5370.7 Ų70.733%0.32536%0.36SS..Hα-helixtrans-57.7-42.2177.4-620000110.7D318 I320 Q325 Q326D318-T322 WeakPolarHBondContact O-CB 3.45Å; D318-T322 PolarHBondContact O-N 3.04Å; D318-T322 PolarHBondContact O-OG1 3.26Å; I320-T322 PolarHBondContact O-N 3.43Å; T322-Q325 PolarHBondContact O-N 3.05Å; T322-Q326 VanDerWaalsContact O-CG 3.31Å; T322-Q326 WeakPolarHBondContact O-CG 3.38Å; T322-Q326 PolarHBondContact O-N 3.02Å
323R94.3Very high92.4Very high62 Ų6272.7 Ų72.723%0.23437%0.37CS..Hα-helixtrans-71.1-38.1-178.8-161.4161.2-176.7103.24.9113D53 I56 L319 I320 K321 Q326 Q327D53-R323 VanDerWaalsContact CG-NH2 3.27Å; D53-R323 IonicContact OD1-CZ 2.78Å; D53-R323 VanDerWaalsContact OD1-CZ 3.29Å; D53-R323 IonicContact OD1-NE 3.96Å; D53-R323 PolarHBondContact OD1-NE 3.43Å; D53-R323 IonicContact OD1-NH2 3.14Å; D53-R323 PolarHBondContact OD1-NH2 2.99Å; D53-R323 IonicContact OD2-CZ 3.19Å; D53-R323 IonicContact OD2-NE 3.96Å; D53-R323 IonicContact OD2-NH2 3.35Å; D53-R323 PolarHBondContact OD2-NH2 2.84Å; I56-R323 HydrophobicContact CD1-CB 3.74Å; I56-R323 HydrophobicContact CD1-CG 3.81Å; L319-R323 WeakPolarHBondContact O-CB 3.28Å; L319-R323 PolarHBondContact O-N 3.49Å; I320-R323 PolarHBondContact O-N 2.92Å; I320-R323 VanDerWaalsContact O-N 3.12Å; K321-R323 PolarHBondContact O-N 3.41Å; R323-Q326 PolarHBondContact O-N 3.25Å; R323-Q327 WeakPolarHBondContact O-CG 3.38Å; R323-Q327 PolarHBondContact O-N 3.4Å
324I94.5Very high92.1Very high0 Ų076.6 Ų76.60%039%0.389CS..Hα-helixtrans-58.5-48.1171.3-71.3167.6000110.4I56 L66 Q69 I70 I320 K321 Q326 Q327 Q328I56-I324 HydrophobicContact CB-CG1 4.47Å; I56-I324 HydrophobicContact CD1-CG1 4.28Å; I56-I324 HydrophobicContact CG1-CG1 4.16Å; I56-I324 HydrophobicContact CG2-CD1 4.38Å; I56-I324 HydrophobicContact CG2-CG1 3.53Å; L66-I324 HydrophobicContact CD1-CD1 4.15Å; L66-I324 HydrophobicContact CD1-CG2 3.92Å; Q69-I324 HydrophobicContact CB-CD1 4.34Å; I70-I324 HydrophobicContact CG1-CD1 4.1Å; I320-I324 HydrophobicContact CG2-CD1 3.78Å; I320-I324 HydrophobicContact CG2-CG1 4.39Å; I320-I324 WeakPolarHBondContact O-CG1 3.5Å; I320-I324 PolarHBondContact O-N 2.73Å; K321-I324 PolarHBondContact O-N 3.17Å; I324-Q326 VanDerWaalsContact C-N 3.33Å; I324-Q326 PolarHBondContact O-N 3.11Å; I324-Q327 PolarHBondContact O-N 2.67Å; I324-Q328 WeakPolarHBondContact O-CG 3.5Å; I324-Q328 PolarHBondContact O-N 3.2Å
325Q93Very high91.7Very high79 Ų7975.8 Ų75.837%0.36938%0.384SS..Hα-helixtrans-64.3-37.5-179-70.1175.3-23.700112.3K321 T322 Q328 Q329K321-Q325 WeakPolarHBondContact O-CG 3.47Å; K321-Q325 PolarHBondContact O-N 3.29Å; T322-Q325 PolarHBondContact O-N 3.05Å; Q325-Q328 PolarHBondContact O-N 2.7Å; Q325-Q329 WeakPolarHBondContact O-CG 3.48Å; Q325-Q329 PolarHBondContact O-N 3.42Å; Q325-Q329 VanDerWaalsContact O-N 3.16Å
326Q91.5Very high91.3Very high98 Ų9875.6 Ų75.646%0.45838%0.382SS..Hα-helixtrans-65-42.6174.6-73.4170.7-0.800112.4T322 R323 I324 Q328 Q329 Q330T322-Q326 VanDerWaalsContact O-CG 3.31Å; T322-Q326 WeakPolarHBondContact O-CG 3.38Å; T322-Q326 PolarHBondContact O-N 3.02Å; R323-Q326 PolarHBondContact O-N 3.25Å; I324-Q326 VanDerWaalsContact C-N 3.33Å; I324-Q326 PolarHBondContact O-N 3.11Å; Q326-Q328 VanDerWaalsContact C-N 3.31Å; Q326-Q328 PolarHBondContact O-N 3.12Å; Q326-Q329 PolarHBondContact O-N 3.48Å; Q326-Q330 WeakPolarHBondContact O-CG 3.37Å; Q326-Q330 PolarHBondContact O-N 3.47Å
327Q87.5Confident90.9Very high45 Ų4580.5 Ų80.521%0.2141%0.407CS..Hα-helixtrans-64.1-36.4176.8-71.11771.900112D53 R323 I324 Q329 Q330 S331D53-Q327 PolarHBondContact OD1-NE2 3.23Å; R323-Q327 WeakPolarHBondContact O-CG 3.38Å; R323-Q327 PolarHBondContact O-N 3.4Å; I324-Q327 PolarHBondContact O-N 2.67Å; Q327-Q329 VanDerWaalsContact C-N 3.35Å; Q327-Q330 PolarHBondContact O-N 3.14Å; Q327-S331 PolarHBondContact O-N 2.87Å; Q327-S331 PolarHBondContact O-OG 3.4Å
328Q85.4Confident90.4Very high115 Ų11583.9 Ų83.954%0.53742%0.424SS..Hα-helixtrans-68.7-29.5175.8-71.7173.5-3.900113.4I324 Q325 Q326 Q330I324-Q328 WeakPolarHBondContact O-CG 3.5Å; I324-Q328 PolarHBondContact O-N 3.2Å; Q325-Q328 PolarHBondContact O-N 2.7Å; Q326-Q328 VanDerWaalsContact C-N 3.31Å; Q326-Q328 PolarHBondContact O-N 3.12Å; Q328-Q330 VanDerWaalsContact C-N 3.34Å
329Q83.7Confident89.9Confident166 Ų16683 Ų8378%0.77642%0.418SS*.Hα-helixtrans-78.3-18.5175.8-71.6173.5900113.4Q325 Q326 Q327Q325-Q329 WeakPolarHBondContact O-CG 3.48Å; Q325-Q329 PolarHBondContact O-N 3.42Å; Q325-Q329 VanDerWaalsContact O-N 3.16Å; Q326-Q329 PolarHBondContact O-N 3.48Å; Q327-Q329 VanDerWaalsContact C-N 3.35Å
330Q78.5Confident89.3Confident166 Ų16685.3 Ų85.378%0.77643%0.429SS*.Hα-helixtrans-95.4-11.4-179.5-69.3176.13.100113.8Q326 Q327 Q328Q326-Q330 WeakPolarHBondContact O-CG 3.37Å; Q326-Q330 PolarHBondContact O-N 3.47Å; Q327-Q330 PolarHBondContact O-N 3.14Å; Q328-Q330 VanDerWaalsContact C-N 3.34Å
331S72.8Confident88.6Confident158 Ų15893.1 Ų93.1100%1.10547%0.468SS*.  trans-93.20-179.2-56.30000111.7Q327Q327-S331 PolarHBondContact O-N 2.87Å; Q327-S331 PolarHBondContact O-OG 3.4Å

Retrieved 331 of 331 residues in 412.7 ms (Link to these results)

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