A0A077ZFU5_TRITR Loading...

Sel1 repeat containing protein 1

AlphaFold DB , UniProt , Accession A0A077ZFU5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 224 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
1M53.8Low84.2Confident229 Ų229120.9 Ų120.9100%1.12862%0.62SS**  01300-78.6164.2161.900106.9
2S64.8Low84.8Confident103 Ų103112.7 Ų112.772%0.7258%0.584SS**  trans-59.5139.7171.348.90000109V4S2-V4 PolarHBondContact O-N 3Å
3N82.2Confident85.3Confident168 Ų168110.3 Ų110.390%0.89857%0.568SS**  trans-66.4100.7169.8-104.2-0.1000107.5
4V84.7Confident85.8Confident34 Ų34106.6 Ų106.621%0.20656%0.562CS.*  trans-77.2121.7171.2179.30000107S2 F6 E11 Y15S2-V4 PolarHBondContact O-N 3Å; V4-F6 HydrophobicContact CB-CE1 4.46Å; V4-F6 HydrophobicContact CB-CE2 4.22Å; V4-F6 HydrophobicContact CB-CZ 4.09Å; V4-F6 HydrophobicContact CG1-CD1 4.07Å; V4-F6 HydrophobicContact CG1-CE1 3.8Å; V4-F6 HydrophobicContact CG1-CE2 4.32Å; V4-F6 HydrophobicContact CG1-CG 4.43Å; V4-F6 HydrophobicContact CG1-CZ 3.94Å; V4-F6 PolarHBondContact O-N 3.48Å; V4-E11 HydrophobicContact CG1-CB 4.17Å; V4-Y15 HydrophobicContact CG1-CG 4.42Å; V4-Y15 HydrophobicContact CG2-CD2 3.82Å; V4-Y15 HydrophobicContact CG2-CG 4.22Å
5D89.6Confident86.2Confident56 Ų56105.1 Ų105.130%0.29955%0.547SS..  trans-83.497.8171.7-174.9-7.2000109.9T7 K8 E11D5-T7 PolarHBondContact O-N 3.14Å; D5-T7 VanDerWaalsContact O-N 3.16Å; D5-T7 WeakPolarHBondContact OD1-CB 3.45Å; D5-T7 PolarHBondContact OD1-N 3.14Å; D5-T7 PolarHBondContact OD1-OG1 3.03Å; D5-T7 PolarHBondContact OD2-OG1 3.06Å; D5-K8 HydrophobicContact CB-CD 4.21Å; D5-K8 HydrophobicContact CB-CG 4.34Å; D5-K8 PolarHBondContact O-N 3.35Å; D5-K8 WeakPolarHBondContact OD2-CE 2.91Å; D5-K8 IonicContact OD2-NZ 2.76Å; D5-E11 WeakPolarHBondContact CB-OE2 3.27Å; D5-E11 PolarHBondContact N-OE2 3.27Å
6F89.4Confident86.6Confident132 Ų132101.4 Ų101.458%0.57953%0.53SS*.THydrogen-bonded Turntrans-68.8-7.7-179.8-68-71.9000114.3V4 K8 A12 Y15V4-F6 HydrophobicContact CB-CE1 4.46Å; V4-F6 HydrophobicContact CB-CE2 4.22Å; V4-F6 HydrophobicContact CB-CZ 4.09Å; V4-F6 HydrophobicContact CG1-CD1 4.07Å; V4-F6 HydrophobicContact CG1-CE1 3.8Å; V4-F6 HydrophobicContact CG1-CE2 4.32Å; V4-F6 HydrophobicContact CG1-CG 4.43Å; V4-F6 HydrophobicContact CG1-CZ 3.94Å; V4-F6 PolarHBondContact O-N 3.48Å; F6-K8 VanDerWaalsContact C-N 3.27Å; F6-A12 HydrophobicContact CD1-CB 4.07Å; F6-Y15 AromaticContact CE1-CD1 3.69Å; F6-Y15 HydrophobicContact CE1-CD1 3.69Å; F6-Y15 HydrophobicContact CE1-CE1 4.17Å; F6-Y15 HydrophobicContact CE1-CG 4.21Å; F6-Y15 AromaticContact CZ-CD1 3.87Å; F6-Y15 HydrophobicContact CZ-CD1 3.87Å; F6-Y15 AromaticContact CZ-CE1 3.97Å; F6-Y15 HydrophobicContact CZ-CE1 3.97Å; F6-Y15 HydrophobicContact CZ-CG 4.32Å
7T92.3Very high86.9Confident125 Ų125105.3 Ų105.377%0.76754%0.536SS*.THydrogen-bonded Turntrans-78.5-16.3170.172.70000112.1D5D5-T7 PolarHBondContact O-N 3.14Å; D5-T7 VanDerWaalsContact O-N 3.16Å; D5-T7 WeakPolarHBondContact OD1-CB 3.45Å; D5-T7 PolarHBondContact OD1-N 3.14Å; D5-T7 PolarHBondContact OD1-OG1 3.03Å; D5-T7 PolarHBondContact OD2-OG1 3.06Å
8K93Very high87.3Confident105 Ų105104.9 Ų104.946%0.45753%0.532SS..SBendtrans-98.7116.2173.6-62.6178.5-164.4161.70110.6D5 F6 E10 E11 A12D5-K8 HydrophobicContact CB-CD 4.21Å; D5-K8 HydrophobicContact CB-CG 4.34Å; D5-K8 PolarHBondContact O-N 3.35Å; D5-K8 WeakPolarHBondContact OD2-CE 2.91Å; D5-K8 IonicContact OD2-NZ 2.76Å; F6-K8 VanDerWaalsContact C-N 3.27Å; K8-E10 VanDerWaalsContact C-N 3.33Å; K8-E10 PolarHBondContact O-N 3.3Å; K8-E11 HydrophobicContact CB-CB 4.31Å; K8-E11 HydrophobicContact CB-CG 4.27Å; K8-E11 HydrophobicContact CD-CG 4.34Å; K8-E11 VanDerWaalsContact CD-OE1 3.25Å; K8-E11 WeakPolarHBondContact CD-OE1 3.49Å; K8-E11 IonicContact NZ-OE1 3.39Å; K8-E11 PolarHBondContact NZ-OE1 3.49Å; K8-E11 PolarHBondContact O-N 3.04Å; K8-A12 PolarHBondContact O-N 3.37Å
9Q91.8Very high87.8Confident144 Ų144100.9 Ų100.967%0.67351%0.511SS*.Hα-helixtrans-55.2-43.8-176.8-176.2176-10.200113.4E11 A12 E13Q9-E11 PolarHBondContact O-N 3.41Å; Q9-A12 PolarHBondContact O-N 2.98Å; Q9-E13 HydrophobicContact CG-CG 4.29Å; Q9-E13 WeakPolarHBondContact CG-OE1 3.43Å; Q9-E13 PolarHBondContact NE2-OE1 3.35Å; Q9-E13 WeakPolarHBondContact O-CB 3.43Å; Q9-E13 WeakPolarHBondContact O-CG 3.46Å; Q9-E13 PolarHBondContact O-N 3.37Å
10E92.4Very high88.2Confident167 Ų16799.9 Ų99.978%0.7850%0.501SS*.Hα-helixtrans-63.3-40.8-179-66.7-177.2172.700112.8K8 A14K8-E10 VanDerWaalsContact C-N 3.33Å; K8-E10 PolarHBondContact O-N 3.3Å; E10-A14 WeakPolarHBondContact O-CB 3.36Å; E10-A14 PolarHBondContact O-N 2.95Å
11E92.3Very high88.6Confident67 Ų6798.5 Ų98.531%0.31350%0.501SS..Hα-helixtrans-68.1-41.3177.2-67.1-168.4-148.700110.8V4 D5 K8 Q9 A14 Y15V4-E11 HydrophobicContact CG1-CB 4.17Å; D5-E11 WeakPolarHBondContact CB-OE2 3.27Å; D5-E11 PolarHBondContact N-OE2 3.27Å; K8-E11 HydrophobicContact CB-CB 4.31Å; K8-E11 HydrophobicContact CB-CG 4.27Å; K8-E11 HydrophobicContact CD-CG 4.34Å; K8-E11 VanDerWaalsContact CD-OE1 3.25Å; K8-E11 WeakPolarHBondContact CD-OE1 3.49Å; K8-E11 IonicContact NZ-OE1 3.39Å; K8-E11 PolarHBondContact NZ-OE1 3.49Å; K8-E11 PolarHBondContact O-N 3.04Å; Q9-E11 PolarHBondContact O-N 3.41Å; E11-A14 PolarHBondContact O-N 3.13Å; E11-Y15 PolarHBondContact O-N 3.06Å
12A91.3Very high90.7Very high22 Ų2291.9 Ų91.918%0.18247%0.467CS..Hα-helixtrans-62.1-46.3175.500000112.1F6 K8 Q9 Y15 V16F6-A12 HydrophobicContact CD1-CB 4.07Å; K8-A12 PolarHBondContact O-N 3.37Å; Q9-A12 PolarHBondContact O-N 2.98Å; A12-Y15 PolarHBondContact O-N 2.98Å; A12-V16 WeakPolarHBondContact O-CG2 3.42Å; A12-V16 PolarHBondContact O-N 3.46Å
13E90.9Very high92.3Very high82 Ų8289.4 Ų89.438%0.38344%0.443SS..Hα-helixtrans-63.8-41.1177.2-75.4-177.3-164.300112.1Q9 Y15 V16 R17Q9-E13 HydrophobicContact CG-CG 4.29Å; Q9-E13 WeakPolarHBondContact CG-OE1 3.43Å; Q9-E13 PolarHBondContact NE2-OE1 3.35Å; Q9-E13 WeakPolarHBondContact O-CB 3.43Å; Q9-E13 WeakPolarHBondContact O-CG 3.46Å; Q9-E13 PolarHBondContact O-N 3.37Å; E13-Y15 VanDerWaalsContact C-N 3.32Å; E13-Y15 PolarHBondContact O-N 2.92Å; E13-V16 PolarHBondContact O-N 2.64Å; E13-R17 WeakPolarHBondContact O-CG 3.43Å; E13-R17 PolarHBondContact O-N 2.72Å
14A92.2Very high93Very high59 Ų5983.1 Ų83.149%0.48841%0.41SS..Hα-helixtrans-61.9-41.5175.900000111.6E10 E11 R17 H18E10-A14 WeakPolarHBondContact O-CB 3.36Å; E10-A14 PolarHBondContact O-N 2.95Å; E11-A14 PolarHBondContact O-N 3.13Å; A14-R17 PolarHBondContact O-N 2.91Å; A14-H18 PolarHBondContact O-N 3.27Å
15Y92.7Very high93.7Very high84 Ų8487.1 Ų87.133%0.32943%0.425SS..Hα-helixtrans-63.5-44.9175.3178.8-102.8000112.2V4 F6 E11 A12 E13 R17 H18 L19V4-Y15 HydrophobicContact CG1-CG 4.42Å; V4-Y15 HydrophobicContact CG2-CD2 3.82Å; V4-Y15 HydrophobicContact CG2-CG 4.22Å; F6-Y15 AromaticContact CE1-CD1 3.69Å; F6-Y15 HydrophobicContact CE1-CD1 3.69Å; F6-Y15 HydrophobicContact CE1-CE1 4.17Å; F6-Y15 HydrophobicContact CE1-CG 4.21Å; F6-Y15 AromaticContact CZ-CD1 3.87Å; F6-Y15 HydrophobicContact CZ-CD1 3.87Å; F6-Y15 AromaticContact CZ-CE1 3.97Å; F6-Y15 HydrophobicContact CZ-CE1 3.97Å; F6-Y15 HydrophobicContact CZ-CG 4.32Å; E11-Y15 PolarHBondContact O-N 3.06Å; A12-Y15 PolarHBondContact O-N 2.98Å; E13-Y15 VanDerWaalsContact C-N 3.32Å; E13-Y15 PolarHBondContact O-N 2.92Å; Y15-R17 VanDerWaalsContact C-N 3.34Å; Y15-R17 PolarHBondContact O-N 3.45Å; Y15-H18 WeakPolarHBondContact O-CA 3.25Å; Y15-H18 WeakPolarHBondContact O-CB 3.38Å; Y15-H18 PolarHBondContact O-N 3.24Å; Y15-L19 HydrophobicContact CD1-CD1 4.11Å; Y15-L19 HydrophobicContact CD1-CG 4.37Å; Y15-L19 HydrophobicContact CE1-CD1 3.6Å; Y15-L19 HydrophobicContact CE1-CD2 4.3Å; Y15-L19 HydrophobicContact CE1-CG 3.97Å; Y15-L19 PolarHBondContact O-N 2.95Å
16V92.2Very high94.1Very high45 Ų4585.5 Ų85.527%0.27342%0.418SS..Hα-helixtrans-59.8-44.3176.9169.50000110.7A12 E13 H18 L19 Y20 Y42 I46A12-V16 WeakPolarHBondContact O-CG2 3.42Å; A12-V16 PolarHBondContact O-N 3.46Å; E13-V16 PolarHBondContact O-N 2.64Å; V16-H18 VanDerWaalsContact C-N 3.3Å; V16-H18 PolarHBondContact O-N 2.88Å; V16-L19 WeakPolarHBondContact O-CB 3.49Å; V16-L19 PolarHBondContact O-N 3.29Å; V16-Y20 PolarHBondContact O-N 2.94Å; V16-Y42 HydrophobicContact CG1-CE2 3.75Å; V16-Y42 VanDerWaalsContact CG1-OH 3.23Å; V16-Y42 WeakPolarHBondContact CG1-OH 3.48Å; V16-Y42 WeakPolarHBondContact O-CE2 3Å; V16-Y42 PolarHBondContact O-OH 3.34Å; V16-Y42 VanDerWaalsContact O-OH 3.08Å; V16-I46 HydrophobicContact CG1-CD1 4.43Å; V16-I46 HydrophobicContact CG1-CG1 4.37Å; V16-I46 HydrophobicContact CG1-CG2 3.85Å
17R92.2Very high94.5Very high168 Ų16879.5 Ų79.563%0.63439%0.393SS*.Hα-helixtrans-62.1-36.1173.4-68.1179.2-164.6-164.97.6112.7E13 A14 Y15 Y20 S21E13-R17 WeakPolarHBondContact O-CG 3.43Å; E13-R17 PolarHBondContact O-N 2.72Å; A14-R17 PolarHBondContact O-N 2.91Å; Y15-R17 VanDerWaalsContact C-N 3.34Å; Y15-R17 PolarHBondContact O-N 3.45Å; R17-Y20 WeakPolarHBondContact O-CB 3.19Å; R17-Y20 PolarHBondContact O-N 2.8Å; R17-S21 PolarHBondContact O-N 2.91Å
18H94Very high94.7Very high99 Ų9978.7 Ų78.746%0.45838%0.377SS..Hα-helixtrans-65-40.4175.8-172.863.8000112.1A14 Y15 V16 Y20 S21 Q22A14-H18 PolarHBondContact O-N 3.27Å; Y15-H18 WeakPolarHBondContact O-CA 3.25Å; Y15-H18 WeakPolarHBondContact O-CB 3.38Å; Y15-H18 PolarHBondContact O-N 3.24Å; V16-H18 VanDerWaalsContact C-N 3.3Å; V16-H18 PolarHBondContact O-N 2.88Å; H18-Y20 VanDerWaalsContact C-N 3.31Å; H18-Y20 PolarHBondContact O-N 2.94Å; H18-S21 PolarHBondContact O-N 3.33Å; H18-Q22 PolarHBondContact CD2-NE2 3.2Å; H18-Q22 PolarHBondContact NE2-NE2 2.9Å; H18-Q22 WeakPolarHBondContact O-CG 3.46Å; H18-Q22 PolarHBondContact O-N 3.08Å
19L95.4Very high94.9Very high28 Ų2877.4 Ų77.415%0.14738%0.381CS..Hα-helixtrans-59.1-41.6173.8-69.1178.4000111.8Y15 V16 S21 Q22 Y23 Y42Y15-L19 HydrophobicContact CD1-CD1 4.11Å; Y15-L19 HydrophobicContact CD1-CG 4.37Å; Y15-L19 HydrophobicContact CE1-CD1 3.6Å; Y15-L19 HydrophobicContact CE1-CD2 4.3Å; Y15-L19 HydrophobicContact CE1-CG 3.97Å; Y15-L19 PolarHBondContact O-N 2.95Å; V16-L19 WeakPolarHBondContact O-CB 3.49Å; V16-L19 PolarHBondContact O-N 3.29Å; L19-S21 VanDerWaalsContact C-N 3.31Å; L19-S21 PolarHBondContact O-N 3.39Å; L19-Q22 PolarHBondContact O-N 3.04Å; L19-Y23 HydrophobicContact CB-CD2 4.46Å; L19-Y23 HydrophobicContact CB-CE2 3.98Å; L19-Y23 HydrophobicContact CD2-CE1 4.3Å; L19-Y23 WeakPolarHBondContact O-CB 3.34Å; L19-Y23 WeakPolarHBondContact O-CD2 3.37Å; L19-Y23 PolarHBondContact O-N 3.36Å; L19-Y42 HydrophobicContact CB-CE2 4.37Å
20Y96.9Very high95.2Very high80 Ų8075.9 Ų75.931%0.31437%0.373SS..Hα-helixtrans-55.4-47.2174.7175.2-107.7000112V16 R17 H18 Q22 Y23 T24 L39 Y42 H43 F47V16-Y20 PolarHBondContact O-N 2.94Å; R17-Y20 WeakPolarHBondContact O-CB 3.19Å; R17-Y20 PolarHBondContact O-N 2.8Å; H18-Y20 VanDerWaalsContact C-N 3.31Å; H18-Y20 PolarHBondContact O-N 2.94Å; Y20-Q22 PolarHBondContact O-N 2.59Å; Y20-Y23 PolarHBondContact O-N 3.05Å; Y20-T24 VanDerWaalsContact O-CB 3.22Å; Y20-T24 WeakPolarHBondContact O-CB 3.17Å; Y20-T24 PolarHBondContact O-N 3.46Å; Y20-T24 PolarHBondContact O-OG1 2.89Å; Y20-L39 HydrophobicContact CD2-CD1 3.87Å; Y20-L39 HydrophobicContact CE2-CD1 3.75Å; Y20-Y42 AromaticContact CD2-CD1 3.81Å; Y20-Y42 HydrophobicContact CD2-CD1 3.81Å; Y20-Y42 AromaticContact CD2-CE1 3.82Å; Y20-Y42 HydrophobicContact CD2-CE1 3.82Å; Y20-Y42 HydrophobicContact CD2-CG 4.46Å; Y20-Y42 HydrophobicContact CG-CD1 4.49Å; Y20-Y42 HydrophobicContact CG-CE1 4.12Å; Y20-H43 AromaticContact CE2-NE2 3.79Å; Y20-F47 AromaticContact CD2-CE2 3.87Å; Y20-F47 HydrophobicContact CD2-CE2 3.87Å; Y20-F47 HydrophobicContact CD2-CZ 4.18Å; Y20-F47 AromaticContact CE2-CE2 3.68Å; Y20-F47 HydrophobicContact CE2-CE2 3.68Å; Y20-F47 HydrophobicContact CE2-CZ 4.32Å; Y20-F47 HydrophobicContact CG-CE2 4.49Å; Y20-F47 HydrophobicContact CG-CZ 4.38Å
21S96.6Very high95.4Very high71 Ų7174.8 Ų74.850%0.49737%0.366SS..Hα-helixtrans-62.2-42.8177.7-59.20000112.1R17 H18 L19 T24 F25R17-S21 PolarHBondContact O-N 2.91Å; H18-S21 PolarHBondContact O-N 3.33Å; L19-S21 VanDerWaalsContact C-N 3.31Å; L19-S21 PolarHBondContact O-N 3.39Å; S21-T24 PolarHBondContact O-N 2.95Å; S21-F25 WeakPolarHBondContact O-CB 3.48Å; S21-F25 PolarHBondContact O-N 2.97Å
22Q97.2Very high95.6Very high90 Ų9074.7 Ų74.742%0.42137%0.368SS..Hα-helixtrans-63.9-47.7177.6-69.3-173.9-1.500112.2H18 L19 Y20 T24 F25 S26H18-Q22 PolarHBondContact CD2-NE2 3.2Å; H18-Q22 PolarHBondContact NE2-NE2 2.9Å; H18-Q22 WeakPolarHBondContact O-CG 3.46Å; H18-Q22 PolarHBondContact O-N 3.08Å; L19-Q22 PolarHBondContact O-N 3.04Å; Y20-Q22 PolarHBondContact O-N 2.59Å; Q22-T24 VanDerWaalsContact C-N 3.32Å; Q22-T24 PolarHBondContact O-N 3.22Å; Q22-F25 PolarHBondContact O-N 3.06Å; Q22-S26 WeakPolarHBondContact O-CB 3.41Å; Q22-S26 PolarHBondContact O-N 3.26Å
23Y98.1Very high96Very high51 Ų5174.9 Ų74.920%0.237%0.369CS..Hα-helixtrans-66-36.9179.6-59.7-18.5000111.7L19 Y20 S26 C27 L38 Y42L19-Y23 HydrophobicContact CB-CD2 4.46Å; L19-Y23 HydrophobicContact CB-CE2 3.98Å; L19-Y23 HydrophobicContact CD2-CE1 4.3Å; L19-Y23 WeakPolarHBondContact O-CB 3.34Å; L19-Y23 WeakPolarHBondContact O-CD2 3.37Å; L19-Y23 PolarHBondContact O-N 3.36Å; Y20-Y23 PolarHBondContact O-N 3.05Å; Y23-S26 PolarHBondContact O-N 3.21Å; Y23-C27 VanDerWaalsContact O-CB 3.23Å; Y23-C27 WeakPolarHBondContact O-CB 3.36Å; Y23-C27 PolarHBondContact O-N 2.96Å; Y23-L38 HydrophobicContact CD1-CB 3.95Å; Y23-L38 HydrophobicContact CD1-CD1 4.11Å; Y23-L38 HydrophobicContact CD2-CB 3.83Å; Y23-L38 HydrophobicContact CE1-CB 4.03Å; Y23-L38 HydrophobicContact CE1-CD1 3.69Å; Y23-L38 HydrophobicContact CE1-CG 4.43Å; Y23-L38 HydrophobicContact CE2-CB 3.89Å; Y23-L38 HydrophobicContact CG-CB 3.86Å; Y23-Y42 HydrophobicContact CD2-CD2 4.2Å; Y23-Y42 HydrophobicContact CE2-CD2 4.24Å
24T98.1Very high96.3Very high36 Ų3675.3 Ų75.322%0.22137%0.371CS..Hα-helixtrans-61.9-48.9174.1-610000110.9Y20 S21 Q22 C27 Y28Y20-T24 VanDerWaalsContact O-CB 3.22Å; Y20-T24 WeakPolarHBondContact O-CB 3.17Å; Y20-T24 PolarHBondContact O-N 3.46Å; Y20-T24 PolarHBondContact O-OG1 2.89Å; S21-T24 PolarHBondContact O-N 2.95Å; Q22-T24 VanDerWaalsContact C-N 3.32Å; Q22-T24 PolarHBondContact O-N 3.22Å; T24-C27 PolarHBondContact O-N 3.37Å; T24-Y28 HydrophobicContact CG2-CD2 3.74Å; T24-Y28 HydrophobicContact CG2-CE2 4.08Å; T24-Y28 WeakPolarHBondContact O-CD2 3.42Å; T24-Y28 PolarHBondContact O-N 3.41Å
25F98.1Very high96.6Very high119 Ų11972.6 Ų72.652%0.52235%0.349SS..Hα-helixtrans-61.2-48.7176.5179.6-94.6000111.6S21 Q22 C27 Y28 S29 E30S21-F25 WeakPolarHBondContact O-CB 3.48Å; S21-F25 PolarHBondContact O-N 2.97Å; Q22-F25 PolarHBondContact O-N 3.06Å; F25-C27 VanDerWaalsContact C-N 3.34Å; F25-C27 PolarHBondContact O-N 3.21Å; F25-Y28 PolarHBondContact O-N 3.43Å; F25-S29 WeakPolarHBondContact CD2-OG 3.36Å; F25-S29 WeakPolarHBondContact O-CA 3.34Å; F25-S29 WeakPolarHBondContact O-CB 3.04Å; F25-S29 PolarHBondContact O-N 3.31Å; F25-E30 HydrophobicContact CD1-CG 4.16Å; F25-E30 HydrophobicContact CE1-CG 3.79Å; F25-E30 PolarHBondContact O-N 3.42Å
26S98.1Very high96.9Very high21 Ų2169 Ų6915%0.14734%0.336CS..Hα-helixtrans-64.2-38.8-178.8-166.50000112.4Q22 Y23 E30 K31 N32Q22-S26 WeakPolarHBondContact O-CB 3.41Å; Q22-S26 PolarHBondContact O-N 3.26Å; Y23-S26 PolarHBondContact O-N 3.21Å; S26-E30 VanDerWaalsContact CA-OE2 3.28Å; S26-E30 WeakPolarHBondContact CA-OE2 3.45Å; S26-E30 VanDerWaalsContact CB-OE2 3.3Å; S26-E30 WeakPolarHBondContact CB-OE2 3.4Å; S26-E30 WeakPolarHBondContact O-CB 3.05Å; S26-E30 PolarHBondContact OG-OE2 2.89Å; S26-K31 PolarHBondContact O-N 2.86Å; S26-N32 WeakPolarHBondContact O-CB 3.03Å; S26-N32 PolarHBondContact O-N 3.33Å; S26-N32 WeakPolarHBondContact OG-CB 3.41Å
27C98.5Very high97.2Very high7 Ų767.2 Ų67.25%0.04733%0.325CS..Hα-helixtrans-68-51.5176.8-178.10000112.6Y23 T24 F25 K31 C36 L39Y23-C27 VanDerWaalsContact O-CB 3.23Å; Y23-C27 WeakPolarHBondContact O-CB 3.36Å; Y23-C27 PolarHBondContact O-N 2.96Å; T24-C27 PolarHBondContact O-N 3.37Å; F25-C27 VanDerWaalsContact C-N 3.34Å; F25-C27 PolarHBondContact O-N 3.21Å; C27-K31 WeakPolarHBondContact O-CA 3.48Å; C27-K31 PolarHBondContact O-N 3.1Å; C27-C36 WeakPolarHBondContact CA-SG 3.42Å; C27-C36 HydrophobicContact CB-CB 3.88Å; C27-C36 WeakPolarHBondContact CB-SG 3.38Å; C27-C36 PolarHBondContact O-SG 3.18Å; C27-C36 WeakPolarHBondContact SG-CA 3.35Å; C27-C36 WeakPolarHBondContact SG-CB 3.2Å; C27-C36 CovalentContact SG-SG 2.05Å; C27-C36 PolarHBondContact SG-SG 3.17Å; C27-L39 HydrophobicContact CB-CD2 3.92Å
28Y97.7Very high97.5Very high108 Ų10861.8 Ų61.842%0.42431%0.308SS..Hα-helixtrans-91.2-40.1-169.4-65.3-56.3000113.9T24 F25 L39T24-Y28 HydrophobicContact CG2-CD2 3.74Å; T24-Y28 HydrophobicContact CG2-CE2 4.08Å; T24-Y28 WeakPolarHBondContact O-CD2 3.42Å; T24-Y28 PolarHBondContact O-N 3.41Å; F25-Y28 PolarHBondContact O-N 3.43Å; Y28-L39 HydrophobicContact CD2-CD2 4.48Å; Y28-L39 HydrophobicContact CE2-CD2 3.78Å
29S97.2Very high97.7Very high78 Ų7857.1 Ų57.155%0.54529%0.287SS..THydrogen-bonded Turntrans-82.8-45-178.4-55.20000111.5F25F25-S29 WeakPolarHBondContact CD2-OG 3.36Å; F25-S29 WeakPolarHBondContact O-CA 3.34Å; F25-S29 WeakPolarHBondContact O-CB 3.04Å; F25-S29 PolarHBondContact O-N 3.31Å
30E96.8Very high97.9Very high111 Ų11155.8 Ų55.852%0.51928%0.28SS..SBendtrans-90.8-11.1-178.5-50.6179140.200113F25 S26 N32F25-E30 HydrophobicContact CD1-CG 4.16Å; F25-E30 HydrophobicContact CE1-CG 3.79Å; F25-E30 PolarHBondContact O-N 3.42Å; S26-E30 VanDerWaalsContact CA-OE2 3.28Å; S26-E30 WeakPolarHBondContact CA-OE2 3.45Å; S26-E30 VanDerWaalsContact CB-OE2 3.3Å; S26-E30 WeakPolarHBondContact CB-OE2 3.4Å; S26-E30 WeakPolarHBondContact O-CB 3.05Å; S26-E30 PolarHBondContact OG-OE2 2.89Å; E30-N32 HydrophobicContact CB-CB 4.3Å; E30-N32 PolarHBondContact O-N 3.3Å; E30-N32 VanDerWaalsContact O-N 3.13Å
31K96.3Very high98Very high144 Ų14454.1 Ų54.163%0.62628%0.276SS*.  trans57.723.5-175.8-62.8-178.4-180177.10112.8S26 C27 R63S26-K31 PolarHBondContact O-N 2.86Å; C27-K31 WeakPolarHBondContact O-CA 3.48Å; C27-K31 PolarHBondContact O-N 3.1Å; K31-R63 PolarHBondContact O-NH1 3.33Å; K31-R63 PolarHBondContact O-NH2 2.91Å
32N98.1Very high98Very high66 Ų6651.4 Ų51.435%0.35326%0.255SS..  trans-69.7131.3-175.5-175.3-66.1000111S26 E30 E34 G35 C36S26-N32 WeakPolarHBondContact O-CB 3.03Å; S26-N32 PolarHBondContact O-N 3.33Å; S26-N32 WeakPolarHBondContact OG-CB 3.41Å; E30-N32 HydrophobicContact CB-CB 4.3Å; E30-N32 PolarHBondContact O-N 3.3Å; E30-N32 VanDerWaalsContact O-N 3.13Å; N32-E34 WeakPolarHBondContact OD1-CA 3.32Å; N32-E34 WeakPolarHBondContact OD1-CB 3.39Å; N32-E34 PolarHBondContact OD1-N 3.26Å; N32-G35 PolarHBondContact OD1-N 3.37Å; N32-C36 PolarHBondContact O-N 3.46Å; N32-C36 VanDerWaalsContact O-N 3.08Å; N32-C36 PolarHBondContact O-SG 3.07Å; N32-C36 VanDerWaalsContact O-SG 3.4Å
33A98.4Very high98.1Very high25 Ų2547.9 Ų47.921%0.20724%0.239CC..Hα-helixtrans-68.6-40-176.900000113H37 N60 T64 Y66A33-H37 PolarHBondContact O-N 3.46Å; A33-H37 VanDerWaalsContact O-N 3.13Å; A33-N60 PolarHBondContact O-ND2 3.21Å; A33-T64 HydrophobicContact CB-CG2 4.07Å; A33-Y66 HydrophobicContact CB-CD2 3.74Å; A33-Y66 HydrophobicContact CB-CE2 4.46Å; A33-Y66 HydrophobicContact CB-CG 4.06Å
34E98.4Very high98Very high91 Ų9147.5 Ų47.543%0.42524%0.24SC..Hα-helixtrans-70.4-42.2176.1179.4162.7-132.800111.1N32 C36 H37 L38 Y66N32-E34 WeakPolarHBondContact OD1-CA 3.32Å; N32-E34 WeakPolarHBondContact OD1-CB 3.39Å; N32-E34 PolarHBondContact OD1-N 3.26Å; E34-C36 VanDerWaalsContact C-N 3.31Å; E34-C36 PolarHBondContact O-N 3.27Å; E34-H37 WeakPolarHBondContact O-CA 3.01Å; E34-H37 WeakPolarHBondContact O-CB 3.38Å; E34-H37 PolarHBondContact O-N 3.49Å; E34-L38 HydrophobicContact CG-CD1 4Å; E34-L38 HydrophobicContact CG-CG 4.27Å; E34-L38 WeakPolarHBondContact O-CG 3.47Å; E34-L38 PolarHBondContact O-N 2.95Å; E34-Y66 HydrophobicContact CB-CE2 4.32Å
35G98.4Very high98Very high3 Ų349.1 Ų49.13%0.03126%0.257CS..Hα-helixtrans-55.2-44.317400000112.6N32 H37 L38 L39N32-G35 PolarHBondContact OD1-N 3.37Å; G35-H37 PolarHBondContact O-N 3.11Å; G35-L38 PolarHBondContact O-N 3.33Å; G35-L39 WeakPolarHBondContact O-CB 3.45Å; G35-L39 PolarHBondContact O-N 3.49Å
36C98.8Very high97.8Very high7 Ų747.6 Ų47.65%0.04725%0.253CS..Hα-helixtrans-67.5-32.8174.3-68.70000113.9C27 N32 E34 G40 N60C27-C36 WeakPolarHBondContact CA-SG 3.42Å; C27-C36 HydrophobicContact CB-CB 3.88Å; C27-C36 WeakPolarHBondContact CB-SG 3.38Å; C27-C36 PolarHBondContact O-SG 3.18Å; C27-C36 WeakPolarHBondContact SG-CA 3.35Å; C27-C36 WeakPolarHBondContact SG-CB 3.2Å; C27-C36 CovalentContact SG-SG 2.05Å; C27-C36 PolarHBondContact SG-SG 3.17Å; N32-C36 PolarHBondContact O-N 3.46Å; N32-C36 VanDerWaalsContact O-N 3.08Å; N32-C36 PolarHBondContact O-SG 3.07Å; N32-C36 VanDerWaalsContact O-SG 3.4Å; E34-C36 VanDerWaalsContact C-N 3.31Å; E34-C36 PolarHBondContact O-N 3.27Å; C36-G40 PolarHBondContact O-N 2.88Å; C36-G40 VanDerWaalsContact O-N 3.12Å; C36-N60 HydrophobicContact CB-CB 3.99Å
37H98.7Very high97.7Very high9 Ų951.4 Ų51.44%0.04227%0.268CS..Hα-helixtrans-67.2-47.6174.6-179.562.7000111.4A33 E34 G35 L39 G40 D41 Y57 N60 Y66 K68 S69A33-H37 PolarHBondContact O-N 3.46Å; A33-H37 VanDerWaalsContact O-N 3.13Å; E34-H37 WeakPolarHBondContact O-CA 3.01Å; E34-H37 WeakPolarHBondContact O-CB 3.38Å; E34-H37 PolarHBondContact O-N 3.49Å; G35-H37 PolarHBondContact O-N 3.11Å; H37-L39 VanDerWaalsContact C-N 3.31Å; H37-L39 PolarHBondContact O-N 3.28Å; H37-G40 CarbonylContact O-C 3.59Å; H37-G40 WeakPolarHBondContact O-CA 3.38Å; H37-G40 PolarHBondContact O-N 3.29Å; H37-D41 IonicContact CD2-OD2 3.92Å; H37-D41 IonicContact CE1-OD2 2.77Å; H37-D41 IonicContact NE2-OD2 3.4Å; H37-D41 PolarHBondContact NE2-OD2 3.11Å; H37-D41 PolarHBondContact O-N 3.28Å; H37-Y57 AromaticContact ND1-CD1 3.95Å; H37-Y57 AromaticContact ND1-CE1 3.82Å; H37-N60 PolarHBondContact N-ND2 3.32Å; H37-Y66 HydrophobicContact CB-CD1 3.75Å; H37-Y66 HydrophobicContact CB-CE1 3.5Å; H37-Y66 VanDerWaalsContact CB-CE1 3.5Å; H37-Y66 AromaticContact CD2-CE1 3.82Å; H37-Y66 AromaticContact CG-CE1 3.59Å; H37-K68 WeakPolarHBondContact CE1-CB 3.41Å; H37-K68 VanDerWaalsContact NE2-CB 3.27Å; H37-K68 WeakPolarHBondContact NE2-CB 3.3Å; H37-S69 WeakPolarHBondContact CB-OG 3.5Å; H37-S69 PolarHBondContact ND1-OG 3.49Å
38L98.5Very high97.6Very high54 Ų5457.5 Ų57.528%0.28330%0.299SS..Hα-helixtrans-63.1-37178-67.9173.9000111.9Y23 E34 G35 G40 D41 Y42Y23-L38 HydrophobicContact CD1-CB 3.95Å; Y23-L38 HydrophobicContact CD1-CD1 4.11Å; Y23-L38 HydrophobicContact CD2-CB 3.83Å; Y23-L38 HydrophobicContact CE1-CB 4.03Å; Y23-L38 HydrophobicContact CE1-CD1 3.69Å; Y23-L38 HydrophobicContact CE1-CG 4.43Å; Y23-L38 HydrophobicContact CE2-CB 3.89Å; Y23-L38 HydrophobicContact CG-CB 3.86Å; E34-L38 HydrophobicContact CG-CD1 4Å; E34-L38 HydrophobicContact CG-CG 4.27Å; E34-L38 WeakPolarHBondContact O-CG 3.47Å; E34-L38 PolarHBondContact O-N 2.95Å; G35-L38 PolarHBondContact O-N 3.33Å; L38-G40 VanDerWaalsContact C-N 3.3Å; L38-G40 PolarHBondContact O-N 2.03Å; L38-D41 PolarHBondContact O-N 3.19Å; L38-Y42 WeakPolarHBondContact O-CB 3.4Å; L38-Y42 PolarHBondContact O-N 3.48Å
39L98.6Very high97.6Very high1 Ų155.5 Ų55.51%0.00530%0.296CS..Hα-helixtrans-61.8-40.5171.2-172.960.8000111.3Y20 C27 Y28 G35 H37 Y42 H43 L56Y20-L39 HydrophobicContact CD2-CD1 3.87Å; Y20-L39 HydrophobicContact CE2-CD1 3.75Å; C27-L39 HydrophobicContact CB-CD2 3.92Å; Y28-L39 HydrophobicContact CD2-CD2 4.48Å; Y28-L39 HydrophobicContact CE2-CD2 3.78Å; G35-L39 WeakPolarHBondContact O-CB 3.45Å; G35-L39 PolarHBondContact O-N 3.49Å; H37-L39 VanDerWaalsContact C-N 3.31Å; H37-L39 PolarHBondContact O-N 3.28Å; L39-Y42 WeakPolarHBondContact O-CB 3.42Å; L39-Y42 PolarHBondContact O-N 2.89Å; L39-H43 PolarHBondContact O-CD2 3.02Å; L39-H43 VanDerWaalsContact O-CD2 3.29Å; L39-H43 PolarHBondContact O-N 3.44Å; L39-L56 HydrophobicContact CB-CD1 4.36Å; L39-L56 HydrophobicContact CD2-CD1 4.19Å; L39-L56 HydrophobicContact CD2-CD2 3.92Å; L39-L56 HydrophobicContact CG-CD1 3.82Å; L39-L56 HydrophobicContact CG-CD2 4.39Å
40G98.6Very high97.6Very high0 Ų059.1 Ų59.10%030%0.297CS..Hα-helixtrans-60.8-49173.700000112.6C36 H37 L38 Y42 H43 D44 A53 Y57C36-G40 PolarHBondContact O-N 2.88Å; C36-G40 VanDerWaalsContact O-N 3.12Å; H37-G40 CarbonylContact O-C 3.59Å; H37-G40 WeakPolarHBondContact O-CA 3.38Å; H37-G40 PolarHBondContact O-N 3.29Å; L38-G40 VanDerWaalsContact C-N 3.3Å; L38-G40 PolarHBondContact O-N 2.03Å; G40-Y42 VanDerWaalsContact C-N 3.28Å; G40-Y42 PolarHBondContact O-N 3.16Å; G40-H43 PolarHBondContact O-N 3.34Å; G40-D44 PolarHBondContact O-N 3.31Å; G40-A53 VanDerWaalsContact O-CB 3.3Å; G40-A53 WeakPolarHBondContact O-CB 3.1Å; G40-Y57 PolarHBondContact O-OH 2.99Å
41D98.3Very high97.7Very high45 Ų4560.8 Ų60.824%0.24130%0.303CS..Hα-helixtrans-62.5-36.9177-78.8-35.8000111.2H37 L38 D44 A45 Y57 K72H37-D41 IonicContact CD2-OD2 3.92Å; H37-D41 IonicContact CE1-OD2 2.77Å; H37-D41 IonicContact NE2-OD2 3.4Å; H37-D41 PolarHBondContact NE2-OD2 3.11Å; H37-D41 PolarHBondContact O-N 3.28Å; L38-D41 PolarHBondContact O-N 3.19Å; D41-D44 PolarHBondContact O-N 2.96Å; D41-A45 WeakPolarHBondContact O-CB 3.06Å; D41-A45 PolarHBondContact O-N 3.23Å; D41-Y57 VanDerWaalsContact CA-OH 3.23Å; D41-Y57 WeakPolarHBondContact CA-OH 3.33Å; D41-Y57 PolarHBondContact N-OH 3.48Å; D41-Y57 VanDerWaalsContact N-OH 3.15Å; D41-Y57 PolarHBondContact OD1-OH 2.93Å; D41-K72 VanDerWaalsContact OD1-CE 3.3Å; D41-K72 WeakPolarHBondContact OD1-CE 3.31Å; D41-K72 IonicContact OD1-NZ 2.59Å; D41-K72 PolarHBondContact OD1-NZ 3.32Å
42Y98.1Very high97.8Very high14 Ų1456.8 Ų56.86%0.05529%0.286CS..Hα-helixtrans-61.8-47.2175.2-168-75000111.7V16 L19 Y20 Y23 L38 L39 G40 D44 I46 F47V16-Y42 HydrophobicContact CG1-CE2 3.75Å; V16-Y42 VanDerWaalsContact CG1-OH 3.23Å; V16-Y42 WeakPolarHBondContact CG1-OH 3.48Å; V16-Y42 WeakPolarHBondContact O-CE2 3Å; V16-Y42 PolarHBondContact O-OH 3.34Å; V16-Y42 VanDerWaalsContact O-OH 3.08Å; L19-Y42 HydrophobicContact CB-CE2 4.37Å; Y20-Y42 AromaticContact CD2-CD1 3.81Å; Y20-Y42 HydrophobicContact CD2-CD1 3.81Å; Y20-Y42 AromaticContact CD2-CE1 3.82Å; Y20-Y42 HydrophobicContact CD2-CE1 3.82Å; Y20-Y42 HydrophobicContact CD2-CG 4.46Å; Y20-Y42 HydrophobicContact CG-CD1 4.49Å; Y20-Y42 HydrophobicContact CG-CE1 4.12Å; Y23-Y42 HydrophobicContact CD2-CD2 4.2Å; Y23-Y42 HydrophobicContact CE2-CD2 4.24Å; L38-Y42 WeakPolarHBondContact O-CB 3.4Å; L38-Y42 PolarHBondContact O-N 3.48Å; L39-Y42 WeakPolarHBondContact O-CB 3.42Å; L39-Y42 PolarHBondContact O-N 2.89Å; G40-Y42 VanDerWaalsContact C-N 3.28Å; G40-Y42 PolarHBondContact O-N 3.16Å; Y42-D44 VanDerWaalsContact C-N 3.3Å; Y42-D44 PolarHBondContact O-N 3.17Å; Y42-I46 HydrophobicContact CD1-CB 4.04Å; Y42-I46 HydrophobicContact CD1-CG1 4.32Å; Y42-I46 HydrophobicContact CD2-CG1 4.05Å; Y42-I46 HydrophobicContact CE1-CB 3.8Å; Y42-I46 HydrophobicContact CE1-CG1 4.27Å; Y42-I46 HydrophobicContact CE1-CG2 3.85Å; Y42-I46 HydrophobicContact CE2-CB 4.42Å; Y42-I46 HydrophobicContact CE2-CG1 4.02Å; Y42-I46 HydrophobicContact CE2-CG2 4.46Å; Y42-I46 HydrophobicContact CG-CB 4.42Å; Y42-I46 HydrophobicContact CG-CG1 4.19Å; Y42-I46 WeakPolarHBondContact O-CA 3.5Å; Y42-I46 VanDerWaalsContact O-CB 3.29Å; Y42-I46 WeakPolarHBondContact O-CB 3.36Å; Y42-I46 PolarHBondContact O-N 3.25Å; Y42-F47 HydrophobicContact CD1-CD2 4.28Å; Y42-F47 HydrophobicContact CD1-CE2 4.2Å; Y42-F47 HydrophobicContact CD1-CZ 4.41Å; Y42-F47 HydrophobicContact CE1-CD1 4.06Å; Y42-F47 HydrophobicContact CE1-CD2 4.19Å; Y42-F47 AromaticContact CE1-CE1 3.72Å; Y42-F47 HydrophobicContact CE1-CE1 3.72Å; Y42-F47 AromaticContact CE1-CE2 3.86Å; Y42-F47 HydrophobicContact CE1-CE2 3.86Å; Y42-F47 HydrophobicContact CE1-CG 4.31Å; Y42-F47 AromaticContact CE1-CZ 3.61Å; Y42-F47 HydrophobicContact CE1-CZ 3.61Å; Y42-F47 PolarHBondContact O-N 2.94Å
43H98.2Very high97.8Very high16 Ų1653.7 Ų53.77%0.07427%0.269CS..Hα-helixtrans-62.2-38.4176.1-87-83.4000112.2Y20 L39 G40 F47 L48 D49 K52 A53Y20-H43 AromaticContact CE2-NE2 3.79Å; L39-H43 PolarHBondContact O-CD2 3.02Å; L39-H43 VanDerWaalsContact O-CD2 3.29Å; L39-H43 PolarHBondContact O-N 3.44Å; G40-H43 PolarHBondContact O-N 3.34Å; H43-F47 AromaticContact CE1-CD2 3.66Å; H43-F47 AromaticContact ND1-CD2 3.57Å; H43-F47 CarbonylContact O-C 3.57Å; H43-L48 PolarHBondContact O-N 3.49Å; H43-L48 VanDerWaalsContact O-N 3.1Å; H43-D49 PolarHBondContact O-N 3.03Å; H43-K52 HydrophobicContact CB-CB 4.4Å; H43-K52 HydrophobicContact CB-CG 4.48Å; H43-K52 WeakPolarHBondContact ND1-CG 3.35Å; H43-A53 HydrophobicContact CB-CB 4.11Å
44D97.3Very high97.8Very high42 Ų4253 Ų5323%0.22526%0.261CS..Hα-helixtrans-69-48.4-179.3-161.415.7000111.9G40 D41 Y42 L48 A53G40-D44 PolarHBondContact O-N 3.31Å; D41-D44 PolarHBondContact O-N 2.96Å; Y42-D44 VanDerWaalsContact C-N 3.3Å; Y42-D44 PolarHBondContact O-N 3.17Å; D44-L48 WeakPolarHBondContact O-CA 3.4Å; D44-A53 HydrophobicContact CB-CB 3.71Å
45A96.1Very high97.8Very high70 Ų7053.6 Ų53.658%0.57926%0.264SS*.Hα-helixtrans-91.5-36.4-170.700000114.1D41D41-A45 WeakPolarHBondContact O-CB 3.06Å; D41-A45 PolarHBondContact O-N 3.23Å
46I95.4Very high97.9Very high87 Ų8753.7 Ų53.745%0.44626%0.264SS..THydrogen-bonded Turntrans-98-49-172.8-51.4-57.6000111.2V16 Y42 L48V16-I46 HydrophobicContact CG1-CD1 4.43Å; V16-I46 HydrophobicContact CG1-CG1 4.37Å; V16-I46 HydrophobicContact CG1-CG2 3.85Å; Y42-I46 HydrophobicContact CD1-CB 4.04Å; Y42-I46 HydrophobicContact CD1-CG1 4.32Å; Y42-I46 HydrophobicContact CD2-CG1 4.05Å; Y42-I46 HydrophobicContact CE1-CB 3.8Å; Y42-I46 HydrophobicContact CE1-CG1 4.27Å; Y42-I46 HydrophobicContact CE1-CG2 3.85Å; Y42-I46 HydrophobicContact CE2-CB 4.42Å; Y42-I46 HydrophobicContact CE2-CG1 4.02Å; Y42-I46 HydrophobicContact CE2-CG2 4.46Å; Y42-I46 HydrophobicContact CG-CB 4.42Å; Y42-I46 HydrophobicContact CG-CG1 4.19Å; Y42-I46 WeakPolarHBondContact O-CA 3.5Å; Y42-I46 VanDerWaalsContact O-CB 3.29Å; Y42-I46 WeakPolarHBondContact O-CB 3.36Å; Y42-I46 PolarHBondContact O-N 3.25Å; I46-L48 VanDerWaalsContact C-N 3.34Å
47F95.8Very high97.9Very high102 Ų10253.3 Ų53.345%0.44726%0.262SS..SBendtrans-85.4-10.2178.2-67.2-20.7000113.4Y20 Y42 H43 D49Y20-F47 AromaticContact CD2-CE2 3.87Å; Y20-F47 HydrophobicContact CD2-CE2 3.87Å; Y20-F47 HydrophobicContact CD2-CZ 4.18Å; Y20-F47 AromaticContact CE2-CE2 3.68Å; Y20-F47 HydrophobicContact CE2-CE2 3.68Å; Y20-F47 HydrophobicContact CE2-CZ 4.32Å; Y20-F47 HydrophobicContact CG-CE2 4.49Å; Y20-F47 HydrophobicContact CG-CZ 4.38Å; Y42-F47 HydrophobicContact CD1-CD2 4.28Å; Y42-F47 HydrophobicContact CD1-CE2 4.2Å; Y42-F47 HydrophobicContact CD1-CZ 4.41Å; Y42-F47 HydrophobicContact CE1-CD1 4.06Å; Y42-F47 HydrophobicContact CE1-CD2 4.19Å; Y42-F47 AromaticContact CE1-CE1 3.72Å; Y42-F47 HydrophobicContact CE1-CE1 3.72Å; Y42-F47 AromaticContact CE1-CE2 3.86Å; Y42-F47 HydrophobicContact CE1-CE2 3.86Å; Y42-F47 HydrophobicContact CE1-CG 4.31Å; Y42-F47 AromaticContact CE1-CZ 3.61Å; Y42-F47 HydrophobicContact CE1-CZ 3.61Å; Y42-F47 PolarHBondContact O-N 2.94Å; H43-F47 AromaticContact CE1-CD2 3.66Å; H43-F47 AromaticContact ND1-CD2 3.57Å; H43-F47 CarbonylContact O-C 3.57Å; F47-D49 HydrophobicContact CB-CB 4.31Å; F47-D49 PolarHBondContact O-N 3.44Å
48L96.5Very high97.9Very high135 Ų13557 Ų5771%0.70728%0.278SS*.  trans54.223.5-174.1-54.4175.4000112.5H43 D44 I46 R50H43-L48 PolarHBondContact O-N 3.49Å; H43-L48 VanDerWaalsContact O-N 3.1Å; D44-L48 WeakPolarHBondContact O-CA 3.4Å; I46-L48 VanDerWaalsContact C-N 3.34Å; L48-R50 PolarHBondContact O-N 2.84Å
49D97.8Very high97.9Very high66 Ų6659.5 Ų59.535%0.35329%0.288SS..  trans-92.976.5178.6-170.8-11.1000109.9H43 F47 K51 K52 A53H43-D49 PolarHBondContact O-N 3.03Å; F47-D49 HydrophobicContact CB-CB 4.31Å; F47-D49 PolarHBondContact O-N 3.44Å; D49-K51 PolarHBondContact O-N 3.46Å; D49-K51 PolarHBondContact OD1-N 3.39Å; D49-K52 HydrophobicContact CB-CB 4.15Å; D49-K52 VanDerWaalsContact CG-CB 3.4Å; D49-K52 PolarHBondContact O-N 3.46Å; D49-K52 PolarHBondContact OD1-N 3.3Å; D49-K52 VanDerWaalsContact OD2-CB 3.27Å; D49-K52 WeakPolarHBondContact OD2-CB 3.37Å; D49-A53 PolarHBondContact O-N 2.92Å
50R97.5Very high97.9Very high153 Ų15359.5 Ų59.558%0.57729%0.288SS*.Hα-helixtrans-62.8-23.9-179.8-56-171.4-73.1-159.5-7.5113.2L48 L54 L82L48-R50 PolarHBondContact O-N 2.84Å; R50-L54 WeakPolarHBondContact O-CB 3.5Å; R50-L54 PolarHBondContact O-N 3.23Å; R50-L54 VanDerWaalsContact O-N 3.14Å; R50-L82 HydrophobicContact CB-CD1 3.59Å
51K98Very high97.9Very high146 Ų14659.5 Ų59.564%0.63529%0.288SS*.Hα-helixtrans-72.4-47.2176.5-72.5-175.9179.3178.70109.6D49 L54 E55 L82D49-K51 PolarHBondContact O-N 3.46Å; D49-K51 PolarHBondContact OD1-N 3.39Å; K51-L54 WeakPolarHBondContact O-CB 3.39Å; K51-L54 PolarHBondContact O-N 3.29Å; K51-E55 PolarHBondContact O-N 3.4Å; K51-L82 HydrophobicContact CG-CD2 4.49Å
52K98.3Very high97.9Very high61 Ų6161.6 Ų61.627%0.26530%0.296SS..Hα-helixtrans-66.2-39.9177.6-171.456.7176.4179.20112.6H43 D49 L54 E55 L56H43-K52 HydrophobicContact CB-CB 4.4Å; H43-K52 HydrophobicContact CB-CG 4.48Å; H43-K52 WeakPolarHBondContact ND1-CG 3.35Å; D49-K52 HydrophobicContact CB-CB 4.15Å; D49-K52 VanDerWaalsContact CG-CB 3.4Å; D49-K52 PolarHBondContact O-N 3.46Å; D49-K52 PolarHBondContact OD1-N 3.3Å; D49-K52 VanDerWaalsContact OD2-CB 3.27Å; D49-K52 WeakPolarHBondContact OD2-CB 3.37Å; K52-L54 VanDerWaalsContact C-N 3.32Å; K52-L54 PolarHBondContact O-N 2.87Å; K52-E55 WeakPolarHBondContact CD-OE2 3.5Å; K52-E55 IonicContact NZ-OE2 2.79Å; K52-E55 PolarHBondContact NZ-OE2 3.14Å; K52-E55 VanDerWaalsContact NZ-OE2 3.12Å; K52-E55 PolarHBondContact O-N 3.04Å; K52-L56 HydrophobicContact CG-CD1 4.25Å; K52-L56 WeakPolarHBondContact O-CG 3.4Å; K52-L56 PolarHBondContact O-N 3.36Å
53A98.7Very high97.8Very high0 Ų066.1 Ų66.10%031%0.313CS..Hα-helixtrans-56.5-47.1173.200000111.7G40 H43 D44 D49 E55 L56 Y57G40-A53 VanDerWaalsContact O-CB 3.3Å; G40-A53 WeakPolarHBondContact O-CB 3.1Å; H43-A53 HydrophobicContact CB-CB 4.11Å; D44-A53 HydrophobicContact CB-CB 3.71Å; D49-A53 PolarHBondContact O-N 2.92Å; A53-E55 PolarHBondContact O-N 3.19Å; A53-L56 PolarHBondContact O-N 3.36Å; A53-Y57 HydrophobicContact CB-CD2 4.49Å; A53-Y57 HydrophobicContact CB-CE2 3.85Å; A53-Y57 WeakPolarHBondContact O-CD2 3.43Å; A53-Y57 VanDerWaalsContact O-CG 3.23Å; A53-Y57 PolarHBondContact O-N 3Å
54L98.7Very high97.8Very high10 Ų1067.7 Ų67.75%0.05232%0.324CS..Hα-helixtrans-60.2-44176.8173.854.3000112.8R50 K51 K52 L56 Y57 K58 Y73 H76 L82 I83R50-L54 WeakPolarHBondContact O-CB 3.5Å; R50-L54 PolarHBondContact O-N 3.23Å; R50-L54 VanDerWaalsContact O-N 3.14Å; K51-L54 WeakPolarHBondContact O-CB 3.39Å; K51-L54 PolarHBondContact O-N 3.29Å; K52-L54 VanDerWaalsContact C-N 3.32Å; K52-L54 PolarHBondContact O-N 2.87Å; L54-L56 VanDerWaalsContact C-N 3.33Å; L54-L56 PolarHBondContact O-N 3.38Å; L54-Y57 PolarHBondContact O-N 3.13Å; L54-K58 VanDerWaalsContact O-CB 3.26Å; L54-K58 WeakPolarHBondContact O-CB 3.36Å; L54-K58 PolarHBondContact O-N 3.29Å; L54-Y73 HydrophobicContact CD1-CD2 3.76Å; L54-Y73 HydrophobicContact CD1-CE2 4.31Å; L54-H76 HydrophobicContact CD1-CB 3.61Å; L54-H76 HydrophobicContact CD2-CB 4.22Å; L54-L82 HydrophobicContact CD2-CB 3.81Å; L54-L82 HydrophobicContact CD2-CD1 4.5Å; L54-I83 HydrophobicContact CD1-CD1 4.15Å; L54-I83 HydrophobicContact CD2-CB 4.27Å; L54-I83 HydrophobicContact CD2-CD1 4.12Å; L54-I83 HydrophobicContact CD2-CG1 3.98Å; L54-I83 HydrophobicContact CD2-CG2 3.47Å; L54-I83 VanDerWaalsContact CD2-CG2 3.47Å; L54-I83 HydrophobicContact CG-CG2 4.46Å
55E98.6Very high97.8Very high105 Ų10570.4 Ų70.449%0.49133%0.334SS..Hα-helixtrans-56.7-47.4174.8-71.6175.5-17700111.6K51 K52 A53 K58 E59K51-E55 PolarHBondContact O-N 3.4Å; K52-E55 WeakPolarHBondContact CD-OE2 3.5Å; K52-E55 IonicContact NZ-OE2 2.79Å; K52-E55 PolarHBondContact NZ-OE2 3.14Å; K52-E55 VanDerWaalsContact NZ-OE2 3.12Å; K52-E55 PolarHBondContact O-N 3.04Å; A53-E55 PolarHBondContact O-N 3.19Å; E55-K58 PolarHBondContact O-N 3.49Å; E55-E59 WeakPolarHBondContact O-CB 3.31Å; E55-E59 PolarHBondContact O-N 2.97Å
56L98.7Very high97.9Very high4 Ų468.9 Ų68.92%0.02131%0.313CS..Hα-helixtrans-63.2-45.6179.5-72.9164000112.1L39 K52 A53 L54 N60L39-L56 HydrophobicContact CB-CD1 4.36Å; L39-L56 HydrophobicContact CD2-CD1 4.19Å; L39-L56 HydrophobicContact CD2-CD2 3.92Å; L39-L56 HydrophobicContact CG-CD1 3.82Å; L39-L56 HydrophobicContact CG-CD2 4.39Å; K52-L56 HydrophobicContact CG-CD1 4.25Å; K52-L56 WeakPolarHBondContact O-CG 3.4Å; K52-L56 PolarHBondContact O-N 3.36Å; A53-L56 PolarHBondContact O-N 3.36Å; L54-L56 VanDerWaalsContact C-N 3.33Å; L54-L56 PolarHBondContact O-N 3.38Å; L56-N60 WeakPolarHBondContact O-CB 3.42Å; L56-N60 PolarHBondContact O-N 3.25Å
57Y98.8Very high98.1Very high0 Ų066.2 Ų66.20%030%0.301CS..Hα-helixtrans-63-42.8176.5-60-41.5000112H37 G40 D41 A53 L54 C61 K72H37-Y57 AromaticContact ND1-CD1 3.95Å; H37-Y57 AromaticContact ND1-CE1 3.82Å; G40-Y57 PolarHBondContact O-OH 2.99Å; D41-Y57 VanDerWaalsContact CA-OH 3.23Å; D41-Y57 WeakPolarHBondContact CA-OH 3.33Å; D41-Y57 PolarHBondContact N-OH 3.48Å; D41-Y57 VanDerWaalsContact N-OH 3.15Å; D41-Y57 PolarHBondContact OD1-OH 2.93Å; A53-Y57 HydrophobicContact CB-CD2 4.49Å; A53-Y57 HydrophobicContact CB-CE2 3.85Å; A53-Y57 WeakPolarHBondContact O-CD2 3.43Å; A53-Y57 VanDerWaalsContact O-CG 3.23Å; A53-Y57 PolarHBondContact O-N 3Å; L54-Y57 PolarHBondContact O-N 3.13Å; Y57-C61 WeakPolarHBondContact O-CB 3.31Å; Y57-C61 PolarHBondContact O-N 3.25Å; Y57-K72 HydrophobicContact CD1-CB 4.05Å; Y57-K72 HydrophobicContact CD1-CG 4.27Å; Y57-K72 HydrophobicContact CD2-CB 3.55Å; Y57-K72 HydrophobicContact CD2-CG 4.28Å; Y57-K72 HydrophobicContact CE1-CB 4.3Å; Y57-K72 HydrophobicContact CE1-CG 4.1Å; Y57-K72 HydrophobicContact CE2-CB 3.86Å; Y57-K72 HydrophobicContact CE2-CD 4.18Å; Y57-K72 HydrophobicContact CE2-CG 4.13Å; Y57-K72 HydrophobicContact CG-CB 3.67Å; Y57-K72 HydrophobicContact CG-CG 4.36Å
58K98.7Very high98.2Very high87 Ų8764.3 Ų64.338%0.37829%0.293SS..Hα-helixtrans-61.6-56.6178.2174.5-178.1173.9-166.10110.5L54 E55 N60 C61 E62 Y73L54-K58 VanDerWaalsContact O-CB 3.26Å; L54-K58 WeakPolarHBondContact O-CB 3.36Å; L54-K58 PolarHBondContact O-N 3.29Å; E55-K58 PolarHBondContact O-N 3.49Å; K58-N60 VanDerWaalsContact C-N 3.32Å; K58-N60 PolarHBondContact O-N 3.25Å; K58-C61 PolarHBondContact O-N 2.62Å; K58-E62 WeakPolarHBondContact CE-OE1 3Å; K58-E62 WeakPolarHBondContact CE-OE2 3.49Å; K58-E62 HydrophobicContact CG-CG 4.41Å; K58-E62 WeakPolarHBondContact O-CB 3.36Å; K58-E62 WeakPolarHBondContact O-CG 3.41Å; K58-E62 PolarHBondContact O-N 3.46Å; K58-Y73 HydrophobicContact CB-CD1 4.33Å; K58-Y73 HydrophobicContact CB-CD2 4.01Å; K58-Y73 HydrophobicContact CB-CE1 4.32Å; K58-Y73 HydrophobicContact CB-CE2 4.02Å; K58-Y73 HydrophobicContact CB-CG 4.17Å; K58-Y73 HydrophobicContact CD-CE2 4.12Å; K58-Y73 HydrophobicContact CG-CD1 4.33Å; K58-Y73 HydrophobicContact CG-CD2 4.4Å; K58-Y73 HydrophobicContact CG-CE1 3.85Å; K58-Y73 HydrophobicContact CG-CE2 3.95Å
59E98.5Very high98.3Very high105 Ų10557.9 Ų57.949%0.49126%0.259SS..Hα-helixtrans-59.2-45.8-177.2-174.3-173.5157.400110.9E55 E62 R63E55-E59 WeakPolarHBondContact O-CB 3.31Å; E55-E59 PolarHBondContact O-N 2.97Å; E59-E62 PolarHBondContact O-N 2.7Å; E59-R63 WeakPolarHBondContact O-CB 3.37Å; E59-R63 PolarHBondContact O-N 3.12Å
60N98.7Very high98.4Very high2 Ų254.7 Ų54.71%0.01124%0.242CC..Hα-helixtrans-65.3-43.1179.2-171.122.9000111.8A33 C36 H37 L56 K58 R63 T64 S69A33-N60 PolarHBondContact O-ND2 3.21Å; C36-N60 HydrophobicContact CB-CB 3.99Å; H37-N60 PolarHBondContact N-ND2 3.32Å; L56-N60 WeakPolarHBondContact O-CB 3.42Å; L56-N60 PolarHBondContact O-N 3.25Å; K58-N60 VanDerWaalsContact C-N 3.32Å; K58-N60 PolarHBondContact O-N 3.25Å; N60-R63 PolarHBondContact O-N 3.46Å; N60-T64 PolarHBondContact O-N 3.34Å; N60-T64 PolarHBondContact O-OG1 3.02Å; N60-T64 PolarHBondContact OD1-OG1 3Å; N60-S69 PolarHBondContact ND2-OG 3.45Å
61C98.7Very high98.5Very high0 Ų049.4 Ų49.40%022%0.223CC..Hα-helixtrans-60.5-46174.2176.70000111.9Y57 K58 R63 K65 C70 Y73Y57-C61 WeakPolarHBondContact O-CB 3.31Å; Y57-C61 PolarHBondContact O-N 3.25Å; K58-C61 PolarHBondContact O-N 2.62Å; C61-R63 PolarHBondContact O-N 2.73Å; C61-K65 VanDerWaalsContact O-CA 3.23Å; C61-K65 WeakPolarHBondContact O-CA 3.3Å; C61-K65 WeakPolarHBondContact O-CD 3.45Å; C61-K65 PolarHBondContact O-N 2.96Å; C61-C70 WeakPolarHBondContact CA-SG 3.42Å; C61-C70 HydrophobicContact CB-CB 3.94Å; C61-C70 WeakPolarHBondContact CB-SG 3.48Å; C61-C70 WeakPolarHBondContact SG-CA 3.38Å; C61-C70 WeakPolarHBondContact SG-CB 3.35Å; C61-C70 CovalentContact SG-SG 2.04Å; C61-C70 PolarHBondContact SG-SG 2.91Å; C61-Y73 HydrophobicContact CB-CD1 4.33Å
62E97.9Very high98.5Very high88 Ų8845.2 Ų45.241%0.41121%0.205SC..Hα-helixtrans-65.9-39.7-178.1-72.8174.7171.100111.6K58 E59K58-E62 WeakPolarHBondContact CE-OE1 3Å; K58-E62 WeakPolarHBondContact CE-OE2 3.49Å; K58-E62 HydrophobicContact CG-CG 4.41Å; K58-E62 WeakPolarHBondContact O-CB 3.36Å; K58-E62 WeakPolarHBondContact O-CG 3.41Å; K58-E62 PolarHBondContact O-N 3.46Å; E59-E62 PolarHBondContact O-N 2.7Å
63R97.4Very high98.5Very high109 Ų10943.1 Ų43.141%0.41120%0.195SC..Hα-helixtrans-78-44.2-178.3-175.6172.86789.4-5.4113.9K31 E59 N60 C61K31-R63 PolarHBondContact O-NH1 3.33Å; K31-R63 PolarHBondContact O-NH2 2.91Å; E59-R63 WeakPolarHBondContact O-CB 3.37Å; E59-R63 PolarHBondContact O-N 3.12Å; N60-R63 PolarHBondContact O-N 3.46Å; C61-R63 PolarHBondContact O-N 2.73Å
64T97.5Very high98.5Very high49 Ų4943.1 Ų43.130%0.30120%0.195SC..Hα-helixtrans-118.9-11.1-166.972.60000113.9A33 N60 Y66A33-T64 HydrophobicContact CB-CG2 4.07Å; N60-T64 PolarHBondContact O-N 3.34Å; N60-T64 PolarHBondContact O-OG1 3.02Å; N60-T64 PolarHBondContact OD1-OG1 3Å; T64-Y66 PolarHBondContact O-N 2.76Å; T64-Y66 WeakPolarHBondContact OG1-CB 3.48Å; T64-Y66 PolarHBondContact OG1-N 3.4Å
65K97.9Very high98.5Very high99 Ų9947.2 Ų47.243%0.4321%0.212SC..  trans56.628-170.3-54.3-66.2174.5-170.40113.2C61 P67C61-K65 VanDerWaalsContact O-CA 3.23Å; C61-K65 WeakPolarHBondContact O-CA 3.3Å; C61-K65 WeakPolarHBondContact O-CD 3.45Å; C61-K65 PolarHBondContact O-N 2.96Å; K65-P67 WeakPolarHBondContact O-CD 3.37Å
66Y98.6Very high98.5Very high39 Ų3943.5 Ų43.515%0.15320%0.195CC..  trans-58.2119.8179.4-169.5-111000111.3A33 E34 H37 T64 K68 S69 C70A33-Y66 HydrophobicContact CB-CD2 3.74Å; A33-Y66 HydrophobicContact CB-CE2 4.46Å; A33-Y66 HydrophobicContact CB-CG 4.06Å; E34-Y66 HydrophobicContact CB-CE2 4.32Å; H37-Y66 HydrophobicContact CB-CD1 3.75Å; H37-Y66 HydrophobicContact CB-CE1 3.5Å; H37-Y66 VanDerWaalsContact CB-CE1 3.5Å; H37-Y66 AromaticContact CD2-CE1 3.82Å; H37-Y66 AromaticContact CG-CE1 3.59Å; T64-Y66 PolarHBondContact O-N 2.76Å; T64-Y66 WeakPolarHBondContact OG1-CB 3.48Å; T64-Y66 PolarHBondContact OG1-N 3.4Å; Y66-K68 HydrophobicContact CD1-CB 4.12Å; Y66-K68 HydrophobicContact CE1-CB 3.74Å; Y66-K68 HydrophobicContact CE1-CD 3.96Å; Y66-K68 HydrophobicContact CE1-CG 3.92Å; Y66-K68 PolarHBondContact O-N 2.89Å; Y66-S69 PolarHBondContact O-N 2.85Å; Y66-C70 PolarHBondContact O-N 3.2Å
67P98.6Very high98.5Very high30 Ų3043.7 Ų43.720%0.19520%0.196CC..Hα-helixtrans-59.6-43.2-165.1-28.436.5000114K65 C70 Y71 S97 A100 W102K65-P67 WeakPolarHBondContact O-CD 3.37Å; P67-C70 PolarHBondContact O-N 2.96Å; P67-Y71 WeakPolarHBondContact O-CB 3.15Å; P67-Y71 PolarHBondContact O-N 3.41Å; P67-S97 WeakPolarHBondContact O-CB 3.07Å; P67-S97 PolarHBondContact O-OG 3.45Å; P67-A100 HydrophobicContact CB-CB 4.05Å; P67-A100 HydrophobicContact CG-CB 3.37Å; P67-W102 HydrophobicContact CB-CB 3.81Å; P67-W102 HydrophobicContact CB-CG 4.39Å
68K98.7Very high98.5Very high62 Ų6245.5 Ų45.527%0.2721%0.206SC..Hα-helixtrans-65.9-40.2-179.3-52-178.6-177.6168.20112.2H37 Y66 Y71 K72 W102H37-K68 WeakPolarHBondContact CE1-CB 3.41Å; H37-K68 VanDerWaalsContact NE2-CB 3.27Å; H37-K68 WeakPolarHBondContact NE2-CB 3.3Å; Y66-K68 HydrophobicContact CD1-CB 4.12Å; Y66-K68 HydrophobicContact CE1-CB 3.74Å; Y66-K68 HydrophobicContact CE1-CD 3.96Å; Y66-K68 HydrophobicContact CE1-CG 3.92Å; Y66-K68 PolarHBondContact O-N 2.89Å; K68-Y71 WeakPolarHBondContact O-CB 3.21Å; K68-Y71 PolarHBondContact O-N 3.06Å; K68-K72 WeakPolarHBondContact O-CG 3.49Å; K68-K72 PolarHBondContact O-N 3.01Å; K68-W102 HydrophobicContact CB-CZ2 4.46Å; K68-W102 HydrophobicContact CD-CH2 3.92Å; K68-W102 HydrophobicContact CD-CZ2 4.33Å; K68-W102 HydrophobicContact CD-CZ3 4.12Å; K68-W102 HydrophobicContact CG-CD2 4.04Å; K68-W102 HydrophobicContact CG-CE3 3.95Å; K68-W102 HydrophobicContact CG-CH2 3.8Å; K68-W102 HydrophobicContact CG-CZ2 3.87Å; K68-W102 HydrophobicContact CG-CZ3 3.84Å
69S98.8Very high98.4Very high0 Ų045.6 Ų45.60%021%0.21CC..Hα-helixtrans-66.5-43.8174.8-64.60000111.6H37 N60 Y66 Y71 K72 Y73H37-S69 WeakPolarHBondContact CB-OG 3.5Å; H37-S69 PolarHBondContact ND1-OG 3.49Å; N60-S69 PolarHBondContact ND2-OG 3.45Å; Y66-S69 PolarHBondContact O-N 2.85Å; S69-Y71 VanDerWaalsContact C-N 3.27Å; S69-Y71 PolarHBondContact O-N 3.19Å; S69-K72 PolarHBondContact O-N 3.16Å; S69-Y73 WeakPolarHBondContact O-CB 3.35Å; S69-Y73 PolarHBondContact O-N 3.49Å
70C98.9Very high98.3Very high0 Ų041.9 Ų41.90%020%0.2CC..Hα-helixtrans-62.9-35.3175.7-70.50000112.6C61 Y66 P67 G74C61-C70 WeakPolarHBondContact CA-SG 3.42Å; C61-C70 HydrophobicContact CB-CB 3.94Å; C61-C70 WeakPolarHBondContact CB-SG 3.48Å; C61-C70 WeakPolarHBondContact SG-CA 3.38Å; C61-C70 WeakPolarHBondContact SG-CB 3.35Å; C61-C70 CovalentContact SG-SG 2.04Å; C61-C70 PolarHBondContact SG-SG 2.91Å; Y66-C70 PolarHBondContact O-N 3.2Å; P67-C70 PolarHBondContact O-N 2.96Å; C70-G74 PolarHBondContact O-N 2.94Å
71Y98.9Very high98.2Very high42 Ų4250 Ų5017%0.16524%0.236CC..Hα-helixtrans-63.2-51.5172.7169.9-105.8000111.9P67 K68 S69 Y73 G74 K75 L94 W102 L104 A105P67-Y71 WeakPolarHBondContact O-CB 3.15Å; P67-Y71 PolarHBondContact O-N 3.41Å; K68-Y71 WeakPolarHBondContact O-CB 3.21Å; K68-Y71 PolarHBondContact O-N 3.06Å; S69-Y71 VanDerWaalsContact C-N 3.27Å; S69-Y71 PolarHBondContact O-N 3.19Å; Y71-Y73 PolarHBondContact O-N 2.88Å; Y71-G74 PolarHBondContact O-N 3.27Å; Y71-K75 HydrophobicContact CD2-CG 4.23Å; Y71-K75 HydrophobicContact CE1-CG 4.26Å; Y71-K75 HydrophobicContact CE2-CD 4.06Å; Y71-K75 HydrophobicContact CE2-CG 3.8Å; Y71-K75 WeakPolarHBondContact O-CG 3.45Å; Y71-K75 PolarHBondContact O-N 3.35Å; Y71-L94 HydrophobicContact CD2-CD2 3.93Å; Y71-W102 AromaticContact CD1-NE1 3.58Å; Y71-W102 AromaticContact CG-CD1 3.75Å; Y71-W102 AromaticContact CG-NE1 3.53Å; Y71-L104 HydrophobicContact CD2-CB 4.21Å; Y71-L104 HydrophobicContact CE1-CB 4.27Å; Y71-L104 HydrophobicContact CE1-CD1 4.24Å; Y71-L104 HydrophobicContact CE2-CB 3.75Å; Y71-L104 WeakPolarHBondContact CE2-O 3.29Å; Y71-A105 HydrophobicContact CD2-CB 3.94Å
72K98.7Very high98.1Very high58 Ų5853 Ų5325%0.25225%0.251SS..Hα-helixtrans-58-47.4177.5-67.7-82.1-166.41510111.1D41 Y57 K68 S69 K75 H76D41-K72 VanDerWaalsContact OD1-CE 3.3Å; D41-K72 WeakPolarHBondContact OD1-CE 3.31Å; D41-K72 IonicContact OD1-NZ 2.59Å; D41-K72 PolarHBondContact OD1-NZ 3.32Å; Y57-K72 HydrophobicContact CD1-CB 4.05Å; Y57-K72 HydrophobicContact CD1-CG 4.27Å; Y57-K72 HydrophobicContact CD2-CB 3.55Å; Y57-K72 HydrophobicContact CD2-CG 4.28Å; Y57-K72 HydrophobicContact CE1-CB 4.3Å; Y57-K72 HydrophobicContact CE1-CG 4.1Å; Y57-K72 HydrophobicContact CE2-CB 3.86Å; Y57-K72 HydrophobicContact CE2-CD 4.18Å; Y57-K72 HydrophobicContact CE2-CG 4.13Å; Y57-K72 HydrophobicContact CG-CB 3.67Å; Y57-K72 HydrophobicContact CG-CG 4.36Å; K68-K72 WeakPolarHBondContact O-CG 3.49Å; K68-K72 PolarHBondContact O-N 3.01Å; S69-K72 PolarHBondContact O-N 3.16Å; K72-K75 WeakPolarHBondContact O-CB 3.25Å; K72-K75 PolarHBondContact O-N 3.01Å; K72-H76 PolarHBondContact O-CD2 2.88Å; K72-H76 PolarHBondContact O-N 2.92Å; K72-H76 VanDerWaalsContact O-N 3.09Å
73Y98.8Very high98.1Very high16 Ų1651.2 Ų51.26%0.06324%0.244CC..Hα-helixtrans-61.5-47.7177.4178.1-145.5000112.3L54 K58 C61 S69 Y71 K75 H76 L77 I83 V93L54-Y73 HydrophobicContact CD1-CD2 3.76Å; L54-Y73 HydrophobicContact CD1-CE2 4.31Å; K58-Y73 HydrophobicContact CB-CD1 4.33Å; K58-Y73 HydrophobicContact CB-CD2 4.01Å; K58-Y73 HydrophobicContact CB-CE1 4.32Å; K58-Y73 HydrophobicContact CB-CE2 4.02Å; K58-Y73 HydrophobicContact CB-CG 4.17Å; K58-Y73 HydrophobicContact CD-CE2 4.12Å; K58-Y73 HydrophobicContact CG-CD1 4.33Å; K58-Y73 HydrophobicContact CG-CD2 4.4Å; K58-Y73 HydrophobicContact CG-CE1 3.85Å; K58-Y73 HydrophobicContact CG-CE2 3.95Å; C61-Y73 HydrophobicContact CB-CD1 4.33Å; S69-Y73 WeakPolarHBondContact O-CB 3.35Å; S69-Y73 PolarHBondContact O-N 3.49Å; Y71-Y73 PolarHBondContact O-N 2.88Å; Y73-K75 VanDerWaalsContact C-N 3.26Å; Y73-K75 PolarHBondContact O-N 3.46Å; Y73-H76 WeakPolarHBondContact O-CB 3.16Å; Y73-H76 PolarHBondContact O-N 3.27Å; Y73-L77 HydrophobicContact CD1-CD1 4.29Å; Y73-L77 HydrophobicContact CD2-CD1 4.15Å; Y73-L77 HydrophobicContact CD2-CG 4.13Å; Y73-L77 HydrophobicContact CE1-CD1 4Å; Y73-L77 HydrophobicContact CE2-CD1 3.83Å; Y73-L77 HydrophobicContact CE2-CD2 4Å; Y73-L77 HydrophobicContact CE2-CG 3.75Å; Y73-L77 HydrophobicContact CG-CD1 4.38Å; Y73-L77 PolarHBondContact O-N 3.44Å; Y73-I83 HydrophobicContact CD2-CD1 4.26Å; Y73-I83 HydrophobicContact CE2-CD1 3.79Å; Y73-V93 HydrophobicContact CD1-CG1 4.25Å; Y73-V93 HydrophobicContact CD1-CG2 4.37Å; Y73-V93 HydrophobicContact CE1-CG1 4.29Å
74G98.7Very high98.1Very high0 Ų054.9 Ų54.90%026%0.263CS..Hα-helixtrans-56.6-39.2175.200000113C70 Y71 L77 L78C70-G74 PolarHBondContact O-N 2.94Å; Y71-G74 PolarHBondContact O-N 3.27Å; G74-L77 PolarHBondContact O-N 2.97Å; G74-L78 WeakPolarHBondContact O-CG 3.14Å; G74-L78 PolarHBondContact O-N 3.26Å
75K98.5Very high98.2Very high96 Ų9659.5 Ų59.542%0.41728%0.275SS..Hα-helixtrans-64.7-37.5174.1-73.7-71.2-61.9-1740112.6Y71 K72 Y73 L78 N79Y71-K75 HydrophobicContact CD2-CG 4.23Å; Y71-K75 HydrophobicContact CE1-CG 4.26Å; Y71-K75 HydrophobicContact CE2-CD 4.06Å; Y71-K75 HydrophobicContact CE2-CG 3.8Å; Y71-K75 WeakPolarHBondContact O-CG 3.45Å; Y71-K75 PolarHBondContact O-N 3.35Å; K72-K75 WeakPolarHBondContact O-CB 3.25Å; K72-K75 PolarHBondContact O-N 3.01Å; Y73-K75 VanDerWaalsContact C-N 3.26Å; Y73-K75 PolarHBondContact O-N 3.46Å; K75-L78 PolarHBondContact O-N 3.26Å; K75-N79 VanDerWaalsContact O-CB 3.28Å; K75-N79 WeakPolarHBondContact O-CB 3.38Å; K75-N79 PolarHBondContact O-N 3.17Å
76H98.5Very high98.2Very high28 Ų2858.1 Ų58.113%0.1327%0.272CS..Hα-helixtrans-66.8-39.7173.7-75.5-74.7000112.3L54 K72 Y73 N79 G80 I83L54-H76 HydrophobicContact CD1-CB 3.61Å; L54-H76 HydrophobicContact CD2-CB 4.22Å; K72-H76 PolarHBondContact O-CD2 2.88Å; K72-H76 PolarHBondContact O-N 2.92Å; K72-H76 VanDerWaalsContact O-N 3.09Å; Y73-H76 WeakPolarHBondContact O-CB 3.16Å; Y73-H76 PolarHBondContact O-N 3.27Å; H76-N79 PolarHBondContact O-N 2.85Å; H76-G80 PolarHBondContact O-N 2.96Å; H76-I83 HydrophobicContact CB-CD1 3.99Å; H76-I83 HydrophobicContact CB-CG1 4.22Å
77L98.6Very high98.1Very high8 Ų858.3 Ų58.34%0.04228%0.276CS..Hα-helixtrans-61.9-40.7174.7-70.9163.9000111.8Y73 G74 I83 R85 D86 K89 A90 V93Y73-L77 HydrophobicContact CD1-CD1 4.29Å; Y73-L77 HydrophobicContact CD2-CD1 4.15Å; Y73-L77 HydrophobicContact CD2-CG 4.13Å; Y73-L77 HydrophobicContact CE1-CD1 4Å; Y73-L77 HydrophobicContact CE2-CD1 3.83Å; Y73-L77 HydrophobicContact CE2-CD2 4Å; Y73-L77 HydrophobicContact CE2-CG 3.75Å; Y73-L77 HydrophobicContact CG-CD1 4.38Å; Y73-L77 PolarHBondContact O-N 3.44Å; G74-L77 PolarHBondContact O-N 2.97Å; L77-I83 HydrophobicContact CD2-CD1 3.6Å; L77-I83 HydrophobicContact CG-CD1 3.83Å; L77-R85 WeakPolarHBondContact O-CA 3.45Å; L77-R85 WeakPolarHBondContact O-CG 3.02Å; L77-D86 HydrophobicContact CD2-CB 4.05Å; L77-D86 PolarHBondContact O-N 3.44Å; L77-K89 HydrophobicContact CD1-CB 4.15Å; L77-K89 HydrophobicContact CD1-CG 3.81Å; L77-K89 HydrophobicContact CD2-CG 4.48Å; L77-A90 HydrophobicContact CB-CB 3.78Å; L77-A90 HydrophobicContact CD1-CB 4.45Å; L77-V93 HydrophobicContact CD1-CG2 4.02Å
78L98.1Very high98.1Very high38 Ų3862.2 Ų62.220%0.19930%0.295CS..Hα-helixtrans-69.3-36175.8-72.4178.1000113.5G74 K75 A90 L94 P108 I112G74-L78 WeakPolarHBondContact O-CG 3.14Å; G74-L78 PolarHBondContact O-N 3.26Å; K75-L78 PolarHBondContact O-N 3.26Å; L78-A90 HydrophobicContact CD2-CB 3.66Å; L78-A90 HydrophobicContact CG-CB 3.72Å; L78-L94 HydrophobicContact CD1-CD1 3.69Å; L78-L94 HydrophobicContact CG-CD1 4.28Å; L78-P108 HydrophobicContact CD1-CB 4.15Å; L78-I112 HydrophobicContact CD1-CD1 4.34Å; L78-I112 HydrophobicContact CD2-CD1 3.82Å; L78-I112 HydrophobicContact CD2-CG1 3.79Å
79N97Very high98Very high88 Ų8861.9 Ų61.947%0.47129%0.294SS..Hα-helixtrans-74.1-41-176-170.3-10000111.8K75 H76 K81K75-N79 VanDerWaalsContact O-CB 3.28Å; K75-N79 WeakPolarHBondContact O-CB 3.38Å; K75-N79 PolarHBondContact O-N 3.17Å; H76-N79 PolarHBondContact O-N 2.85Å; N79-K81 PolarHBondContact O-N 3.24Å; N79-K81 VanDerWaalsContact OD1-CD 3.22Å; N79-K81 WeakPolarHBondContact OD1-CD 3.1Å; N79-K81 VanDerWaalsContact OD1-CE 3.29Å; N79-K81 WeakPolarHBondContact OD1-CE 3.38Å; N79-K81 WeakPolarHBondContact OD1-CG 3.44Å
80G97Very high98Very high28 Ų2861.9 Ų61.929%0.28929%0.294SS..  trans76.22.9176.800000115.7H76 I83H76-G80 PolarHBondContact O-N 2.96Å; G80-I83 CarbonylContact C-O 3.04Å; G80-I83 WeakPolarHBondContact CA-O 3.33Å
81K97Very high98Very high173 Ų17363.3 Ų63.375%0.75230%0.299SS*.SBendtrans-77.7-41.6-175.4-76.9178.9-171.5-175.30114.5N79N79-K81 PolarHBondContact O-N 3.24Å; N79-K81 VanDerWaalsContact OD1-CD 3.22Å; N79-K81 WeakPolarHBondContact OD1-CD 3.1Å; N79-K81 VanDerWaalsContact OD1-CE 3.29Å; N79-K81 WeakPolarHBondContact OD1-CE 3.38Å; N79-K81 WeakPolarHBondContact OD1-CG 3.44Å
82L96.5Very high98Very high61 Ų6165.1 Ų65.132%0.31931%0.309SS..SBendtrans-101.8-24.7-177.6-66.4177.7000112.9R50 K51 L54R50-L82 HydrophobicContact CB-CD1 3.59Å; K51-L82 HydrophobicContact CG-CD2 4.49Å; L54-L82 HydrophobicContact CD2-CB 3.81Å; L54-L82 HydrophobicContact CD2-CD1 4.5Å
83I97.7Very high98Very high52 Ų5262.5 Ų62.527%0.26730%0.298SS..SBendtrans-135.8157.1176.250.5171.8000108.1L54 Y73 H76 L77 G80 R85L54-I83 HydrophobicContact CD1-CD1 4.15Å; L54-I83 HydrophobicContact CD2-CB 4.27Å; L54-I83 HydrophobicContact CD2-CD1 4.12Å; L54-I83 HydrophobicContact CD2-CG1 3.98Å; L54-I83 HydrophobicContact CD2-CG2 3.47Å; L54-I83 VanDerWaalsContact CD2-CG2 3.47Å; L54-I83 HydrophobicContact CG-CG2 4.46Å; Y73-I83 HydrophobicContact CD2-CD1 4.26Å; Y73-I83 HydrophobicContact CE2-CD1 3.79Å; H76-I83 HydrophobicContact CB-CD1 3.99Å; H76-I83 HydrophobicContact CB-CG1 4.22Å; L77-I83 HydrophobicContact CD2-CD1 3.6Å; L77-I83 HydrophobicContact CG-CD1 3.83Å; G80-I83 CarbonylContact C-O 3.04Å; G80-I83 WeakPolarHBondContact CA-O 3.33Å; I83-R85 PolarHBondContact O-N 3.29Å
84K98Very high98Very high186 Ų18661.7 Ų61.781%0.80930%0.295SS*.  trans-55.4134.2176.6-175.5-178.9176.9-175.10110.1D86K84-D86 PolarHBondContact O-N 3.28Å
85R97.8Very high98Very high145 Ų14567 Ų6755%0.54732%0.315SS..  trans-60.7130.8174.7-179.7172171.4173.6-4.9110.5L77 I83 D87L77-R85 WeakPolarHBondContact O-CA 3.45Å; L77-R85 WeakPolarHBondContact O-CG 3.02Å; I83-R85 PolarHBondContact O-N 3.29Å; R85-D87 WeakPolarHBondContact CG-OD1 3.38Å; R85-D87 IonicContact CZ-OD1 3.84Å; R85-D87 IonicContact CZ-OD2 2.88Å; R85-D87 IonicContact NE-OD1 2.89Å; R85-D87 PolarHBondContact NE-OD1 3.34Å; R85-D87 IonicContact NE-OD2 3.67Å; R85-D87 PolarHBondContact NE-OD2 3.13Å; R85-D87 IonicContact NH2-OD1 3.63Å; R85-D87 PolarHBondContact NH2-OD1 3.47Å; R85-D87 IonicContact NH2-OD2 3.24Å; R85-D87 PolarHBondContact NH2-OD2 3.39Å
86D98.2Very high98Very high71 Ų7163.9 Ų63.938%0.3831%0.305SS..  trans-146.894.9179.6-171.5-26000109.6L77 K84 D88 K89 A90L77-D86 HydrophobicContact CD2-CB 4.05Å; L77-D86 PolarHBondContact O-N 3.44Å; K84-D86 PolarHBondContact O-N 3.28Å; D86-D88 PolarHBondContact OD1-N 3.27Å; D86-K89 HydrophobicContact CB-CB 4.14Å; D86-K89 VanDerWaalsContact CG-CB 3.44Å; D86-K89 WeakPolarHBondContact OD1-CB 3.41Å; D86-K89 PolarHBondContact OD1-N 2.98Å; D86-A90 WeakPolarHBondContact O-CB 3.39Å; D86-A90 PolarHBondContact O-N 3.01Å
87D97.7Very high98Very high43 Ų4362.6 Ų62.623%0.2330%0.299CS..Hα-helixtrans-71.7-30.6-174.2-68.3-2000112.1R85 Y91 I112R85-D87 WeakPolarHBondContact CG-OD1 3.38Å; R85-D87 IonicContact CZ-OD1 3.84Å; R85-D87 IonicContact CZ-OD2 2.88Å; R85-D87 IonicContact NE-OD1 2.89Å; R85-D87 PolarHBondContact NE-OD1 3.34Å; R85-D87 IonicContact NE-OD2 3.67Å; R85-D87 PolarHBondContact NE-OD2 3.13Å; R85-D87 IonicContact NH2-OD1 3.63Å; R85-D87 PolarHBondContact NH2-OD1 3.47Å; R85-D87 IonicContact NH2-OD2 3.24Å; R85-D87 PolarHBondContact NH2-OD2 3.39Å; D87-Y91 WeakPolarHBondContact O-CB 3.28Å; D87-Y91 PolarHBondContact O-N 3.34Å; D87-I112 HydrophobicContact CB-CG2 4.48Å
88D97.2Very high98Very high111 Ų11162.2 Ų62.259%0.59430%0.297SS*.Hα-helixtrans-73.2-44.5178.8-73.3-35.8000110.8D86 A90 Y91 E92 R116D86-D88 PolarHBondContact OD1-N 3.27Å; D88-A90 VanDerWaalsContact C-N 3.33Å; D88-Y91 PolarHBondContact O-N 2.03Å; D88-E92 PolarHBondContact O-N 2.93Å; D88-R116 IonicContact OD1-NH2 3.15Å
89K98.2Very high98Very high56 Ų5664.6 Ų64.624%0.24331%0.31CS..Hα-helixtrans-66.7-38.1173.5-170.153.9167.6-178.90111.5L77 D86 Y91 E92 V93L77-K89 HydrophobicContact CD1-CB 4.15Å; L77-K89 HydrophobicContact CD1-CG 3.81Å; L77-K89 HydrophobicContact CD2-CG 4.48Å; D86-K89 HydrophobicContact CB-CB 4.14Å; D86-K89 VanDerWaalsContact CG-CB 3.44Å; D86-K89 WeakPolarHBondContact OD1-CB 3.41Å; D86-K89 PolarHBondContact OD1-N 2.98Å; K89-Y91 VanDerWaalsContact C-N 3.33Å; K89-Y91 PolarHBondContact O-N 3.48Å; K89-E92 HydrophobicContact CD-CB 4.47Å; K89-E92 VanDerWaalsContact CD-OE2 3.3Å; K89-E92 WeakPolarHBondContact CD-OE2 3.42Å; K89-E92 IonicContact NZ-OE1 2.76Å; K89-E92 PolarHBondContact NZ-OE1 3.21Å; K89-E92 IonicContact NZ-OE2 2.63Å; K89-E92 PolarHBondContact NZ-OE2 3.14Å; K89-E92 PolarHBondContact O-N 3.46Å; K89-V93 HydrophobicContact CD-CG1 4.39Å; K89-V93 WeakPolarHBondContact O-CG2 3.46Å; K89-V93 PolarHBondContact O-N 2.87Å; K89-V93 VanDerWaalsContact O-N 3.13Å
90A98.6Very high98Very high0 Ų063 Ų630%031%0.309CS..Hα-helixtrans-57.9-47.7173.700000110.8L77 L78 D86 D88 E92 V93 L94 I112L77-A90 HydrophobicContact CB-CB 3.78Å; L77-A90 HydrophobicContact CD1-CB 4.45Å; L78-A90 HydrophobicContact CD2-CB 3.66Å; L78-A90 HydrophobicContact CG-CB 3.72Å; D86-A90 WeakPolarHBondContact O-CB 3.39Å; D86-A90 PolarHBondContact O-N 3.01Å; D88-A90 VanDerWaalsContact C-N 3.33Å; A90-E92 VanDerWaalsContact C-N 3.34Å; A90-E92 PolarHBondContact O-N 2.95Å; A90-V93 WeakPolarHBondContact O-CG2 3.38Å; A90-V93 PolarHBondContact O-N 3.31Å; A90-L94 HydrophobicContact CB-CD1 4.15Å; A90-L94 WeakPolarHBondContact O-CB 3.32Å; A90-L94 VanDerWaalsContact O-CD1 3.32Å; A90-L94 WeakPolarHBondContact O-CD1 3.44Å; A90-L94 WeakPolarHBondContact O-CG 3.37Å; A90-L94 PolarHBondContact O-N 3.06Å; A90-I112 HydrophobicContact CB-CD1 4.19Å
91Y98.5Very high98.1Very high30 Ų3066.1 Ų66.112%0.11832%0.319CS..Hα-helixtrans-58.3-45.1177.7-178.6-102.1000111.9D87 D88 K89 V93 R95 C109 I112 L113 Y130D87-Y91 WeakPolarHBondContact O-CB 3.28Å; D87-Y91 PolarHBondContact O-N 3.34Å; D88-Y91 PolarHBondContact O-N 2.03Å; K89-Y91 VanDerWaalsContact C-N 3.33Å; K89-Y91 PolarHBondContact O-N 3.48Å; Y91-V93 PolarHBondContact O-N 2.85Å; Y91-R95 WeakPolarHBondContact O-CB 3.35Å; Y91-R95 PolarHBondContact O-N 3.1Å; Y91-C109 HydrophobicContact CD2-CB 4.23Å; Y91-C109 HydrophobicContact CE2-CB 4.02Å; Y91-I112 HydrophobicContact CD2-CB 4.29Å; Y91-I112 HydrophobicContact CD2-CD1 4.34Å; Y91-I112 HydrophobicContact CD2-CG2 4.23Å; Y91-I112 HydrophobicContact CG-CG2 4.49Å; Y91-L113 HydrophobicContact CD2-CD2 4.39Å; Y91-L113 HydrophobicContact CD2-CG 4.46Å; Y91-L113 HydrophobicContact CE2-CD1 4.09Å; Y91-L113 HydrophobicContact CE2-CD2 3.72Å; Y91-L113 HydrophobicContact CE2-CG 3.73Å; Y91-Y130 AromaticContact CE2-CE2 3.99Å; Y91-Y130 HydrophobicContact CE2-CE2 3.99Å; Y91-Y130 PolarHBondContact OH-OH 3.15Å
92E98.2Very high98.1Very high80 Ų8061.6 Ų61.637%0.37430%0.298SS..Hα-helixtrans-56.9-50.8178.3-171.2-156.5128.500112.2D88 K89 A90 S96D88-E92 PolarHBondContact O-N 2.93Å; K89-E92 HydrophobicContact CD-CB 4.47Å; K89-E92 VanDerWaalsContact CD-OE2 3.3Å; K89-E92 WeakPolarHBondContact CD-OE2 3.42Å; K89-E92 IonicContact NZ-OE1 2.76Å; K89-E92 PolarHBondContact NZ-OE1 3.21Å; K89-E92 IonicContact NZ-OE2 2.63Å; K89-E92 PolarHBondContact NZ-OE2 3.14Å; K89-E92 PolarHBondContact O-N 3.46Å; A90-E92 VanDerWaalsContact C-N 3.34Å; A90-E92 PolarHBondContact O-N 2.95Å; E92-S96 PolarHBondContact O-N 2.87Å
93V98.6Very high98.2Very high2 Ų260.1 Ų60.11%0.01229%0.292CS..Hα-helixtrans-77.6-33.6-175.7-56.80000112.9Y73 L77 K89 A90 Y91 R95 S96 S97Y73-V93 HydrophobicContact CD1-CG1 4.25Å; Y73-V93 HydrophobicContact CD1-CG2 4.37Å; Y73-V93 HydrophobicContact CE1-CG1 4.29Å; L77-V93 HydrophobicContact CD1-CG2 4.02Å; K89-V93 HydrophobicContact CD-CG1 4.39Å; K89-V93 WeakPolarHBondContact O-CG2 3.46Å; K89-V93 PolarHBondContact O-N 2.87Å; K89-V93 VanDerWaalsContact O-N 3.13Å; A90-V93 WeakPolarHBondContact O-CG2 3.38Å; A90-V93 PolarHBondContact O-N 3.31Å; Y91-V93 PolarHBondContact O-N 2.85Å; V93-R95 VanDerWaalsContact C-N 3.35Å; V93-S96 PolarHBondContact O-N 3.4Å; V93-S96 PolarHBondContact O-OG 3.42Å; V93-S97 PolarHBondContact O-N 2.81Å
94L98.8Very high98.2Very high0 Ų060.9 Ų60.90%030%0.296CS..Hα-helixtrans-69.3-37.4175-71.4162.2000110.5Y71 L78 A90 S96 S97 C98 A105 P108 C109 I112Y71-L94 HydrophobicContact CD2-CD2 3.93Å; L78-L94 HydrophobicContact CD1-CD1 3.69Å; L78-L94 HydrophobicContact CG-CD1 4.28Å; A90-L94 HydrophobicContact CB-CD1 4.15Å; A90-L94 WeakPolarHBondContact O-CB 3.32Å; A90-L94 VanDerWaalsContact O-CD1 3.32Å; A90-L94 WeakPolarHBondContact O-CD1 3.44Å; A90-L94 WeakPolarHBondContact O-CG 3.37Å; A90-L94 PolarHBondContact O-N 3.06Å; L94-S96 PolarHBondContact O-N 3.11Å; L94-S97 WeakPolarHBondContact O-CB 3.38Å; L94-S97 PolarHBondContact O-N 3.39Å; L94-C98 WeakPolarHBondContact O-CB 3.41Å; L94-C98 PolarHBondContact O-N 2.97Å; L94-A105 HydrophobicContact CD2-CB 4.19Å; L94-P108 HydrophobicContact CD1-CB 3.74Å; L94-P108 HydrophobicContact CD2-CB 4.3Å; L94-C109 VanDerWaalsContact CB-SG 3.59Å; L94-I112 HydrophobicContact CD1-CD1 4Å
95R98.6Very high98.3Very high110 Ų11052 Ų5242%0.41526%0.258SS..Hα-helixtrans-58.3-48.3174.3-178.7-177.275.7178.71.9110.8Y91 V93 S97 C98 D99 C109 Y130Y91-R95 WeakPolarHBondContact O-CB 3.35Å; Y91-R95 PolarHBondContact O-N 3.1Å; V93-R95 VanDerWaalsContact C-N 3.35Å; R95-S97 PolarHBondContact O-N 2.96Å; R95-C98 PolarHBondContact O-N 2.85Å; R95-D99 WeakPolarHBondContact CG-OD2 3.21Å; R95-D99 WeakPolarHBondContact O-CB 3.24Å; R95-D99 PolarHBondContact O-N 3.46Å; R95-C109 PolarHBondContact N-SG 2.91Å; R95-C109 VanDerWaalsContact N-SG 3.38Å; R95-Y130 WeakPolarHBondContact CG-OH 3.34Å
96S98.2Very high98.3Very high32 Ų3245.1 Ų45.122%0.22423%0.232CC..Hα-helixtrans-61.7-34.7178.557.70000113E92 V93 L94 A100E92-S96 PolarHBondContact O-N 2.87Å; V93-S96 PolarHBondContact O-N 3.4Å; V93-S96 PolarHBondContact O-OG 3.42Å; L94-S96 PolarHBondContact O-N 3.11Å; S96-A100 WeakPolarHBondContact O-CB 3.49Å; S96-A100 PolarHBondContact O-N 2.98Å; S96-A100 VanDerWaalsContact O-N 3.14Å
97S98.7Very high98.4Very high0 Ų042.2 Ų42.20%022%0.217CC..Hα-helixtrans-68.1-44.1175.6-1760000111.9P67 V93 L94 R95 A100 N101 W102 A105P67-S97 WeakPolarHBondContact O-CB 3.07Å; P67-S97 PolarHBondContact O-OG 3.45Å; V93-S97 PolarHBondContact O-N 2.81Å; L94-S97 WeakPolarHBondContact O-CB 3.38Å; L94-S97 PolarHBondContact O-N 3.39Å; R95-S97 PolarHBondContact O-N 2.96Å; S97-A100 CarbonylContact O-C 3.51Å; S97-A100 PolarHBondContact O-N 2.83Å; S97-N101 PolarHBondContact O-N 3.44Å; S97-W102 WeakPolarHBondContact O-CB 3.32Å; S97-W102 PolarHBondContact O-N 2.81Å; S97-W102 WeakPolarHBondContact OG-CB 3.11Å; S97-A105 VanDerWaalsContact CB-CB 3.49Å; S97-A105 VanDerWaalsContact OG-CB 3.3Å; S97-A105 WeakPolarHBondContact OG-CB 3.38Å
98C98.7Very high98.4Very high0 Ų041 Ų410%021%0.211CC..Hα-helixtrans-64.9-40.4174.5176.20000112.1L94 R95 A100 N101 A105 C106 K133L94-C98 WeakPolarHBondContact O-CB 3.41Å; L94-C98 PolarHBondContact O-N 2.97Å; R95-C98 PolarHBondContact O-N 2.85Å; C98-A100 PolarHBondContact O-N 3Å; C98-N101 WeakPolarHBondContact O-CA 3.43Å; C98-N101 PolarHBondContact O-N 3.42Å; C98-A105 HydrophobicContact CB-CB 4.23Å; C98-C106 VanDerWaalsContact CA-SG 3.55Å; C98-C106 HydrophobicContact CB-CB 3.96Å; C98-C106 WeakPolarHBondContact CB-SG 3.3Å; C98-C106 WeakPolarHBondContact SG-CA 3.23Å; C98-C106 WeakPolarHBondContact SG-CB 3.21Å; C98-C106 CovalentContact SG-SG 2.03Å; C98-C106 PolarHBondContact SG-SG 2.79Å; C98-K133 WeakPolarHBondContact O-CE 3.35Å; C98-K133 PolarHBondContact O-NZ 3.29Å
99D98.1Very high98.5Very high88 Ų8835.7 Ų35.747%0.47118%0.183SC..Hα-helixtrans-59-39176.3-71.9-18.4000111.1R95 N101 K133R95-D99 WeakPolarHBondContact CG-OD2 3.21Å; R95-D99 WeakPolarHBondContact O-CB 3.24Å; R95-D99 PolarHBondContact O-N 3.46Å; D99-N101 PolarHBondContact O-N 3.1Å; D99-K133 VanDerWaalsContact CA-NZ 3.33Å; D99-K133 PolarHBondContact O-NZ 3.29Å
100A98.3Very high98.5Very high54 Ų5433 Ų3345%0.44617%0.171SC..THydrogen-bonded Turntrans-79.318.3172.200000114.7P67 S96 S97 C98 W102P67-A100 HydrophobicContact CB-CB 4.05Å; P67-A100 HydrophobicContact CG-CB 3.37Å; S96-A100 WeakPolarHBondContact O-CB 3.49Å; S96-A100 PolarHBondContact O-N 2.98Å; S96-A100 VanDerWaalsContact O-N 3.14Å; S97-A100 CarbonylContact O-C 3.51Å; S97-A100 PolarHBondContact O-N 2.83Å; C98-A100 PolarHBondContact O-N 3Å; A100-W102 VanDerWaalsContact C-N 3.28Å; A100-W102 PolarHBondContact O-N 3.49Å
101N98.3Very high98.5Very high95 Ų9537.9 Ų37.951%0.50819%0.193SC..THydrogen-bonded Turntrans62.324175.6-60.8-34.8000115.6S97 C98 D99 S103 K133 L137S97-N101 PolarHBondContact O-N 3.44Å; C98-N101 WeakPolarHBondContact O-CA 3.43Å; C98-N101 PolarHBondContact O-N 3.42Å; D99-N101 PolarHBondContact O-N 3.1Å; N101-S103 PolarHBondContact O-N 2.93Å; N101-S103 VanDerWaalsContact O-N 3.1Å; N101-K133 WeakPolarHBondContact OD1-CE 3.47Å; N101-K133 PolarHBondContact OD1-NZ 2.84Å; N101-L137 HydrophobicContact CB-CD1 3.95Å; N101-L137 HydrophobicContact CB-CD2 3.84Å
102W98.3Very high98.5Very high78 Ų7836.8 Ų36.830%0.29519%0.189SC..  trans-77.895.6166-169.6-111.2000109.5P67 K68 Y71 S97 A100 L104 A105P67-W102 HydrophobicContact CB-CB 3.81Å; P67-W102 HydrophobicContact CB-CG 4.39Å; K68-W102 HydrophobicContact CB-CZ2 4.46Å; K68-W102 HydrophobicContact CD-CH2 3.92Å; K68-W102 HydrophobicContact CD-CZ2 4.33Å; K68-W102 HydrophobicContact CD-CZ3 4.12Å; K68-W102 HydrophobicContact CG-CD2 4.04Å; K68-W102 HydrophobicContact CG-CE3 3.95Å; K68-W102 HydrophobicContact CG-CH2 3.8Å; K68-W102 HydrophobicContact CG-CZ2 3.87Å; K68-W102 HydrophobicContact CG-CZ3 3.84Å; Y71-W102 AromaticContact CD1-NE1 3.58Å; Y71-W102 AromaticContact CG-CD1 3.75Å; Y71-W102 AromaticContact CG-NE1 3.53Å; S97-W102 WeakPolarHBondContact O-CB 3.32Å; S97-W102 PolarHBondContact O-N 2.81Å; S97-W102 WeakPolarHBondContact OG-CB 3.11Å; A100-W102 VanDerWaalsContact C-N 3.28Å; A100-W102 PolarHBondContact O-N 3.49Å; W102-L104 HydrophobicContact CZ2-CD1 3.95Å; W102-L104 PolarHBondContact O-N 3.1Å; W102-L104 VanDerWaalsContact O-N 3.1Å; W102-A105 WeakPolarHBondContact O-CB 3.38Å; W102-A105 PolarHBondContact O-N 3.28Å
103S97.8Very high98.4Very high29 Ų2933 Ų3320%0.20317%0.171CC..G310 helixtrans-52.9-37.8-168.367.20000113.7N101 A105 C106 P107 L137N101-S103 PolarHBondContact O-N 2.93Å; N101-S103 VanDerWaalsContact O-N 3.1Å; S103-A105 PolarHBondContact O-N 2.92Å; S103-A105 VanDerWaalsContact O-N 3.17Å; S103-C106 PolarHBondContact O-N 3.24Å; S103-P107 WeakPolarHBondContact O-CD 3.34Å; S103-L137 WeakPolarHBondContact CB-O 3.44Å
104L98.5Very high98.4Very high68 Ų6834.3 Ų34.336%0.35618%0.178SC..G310 helixtrans-61.5-22.4179.4-63.8176.5000113.9Y71 W102 P108Y71-L104 HydrophobicContact CD2-CB 4.21Å; Y71-L104 HydrophobicContact CE1-CB 4.27Å; Y71-L104 HydrophobicContact CE1-CD1 4.24Å; Y71-L104 HydrophobicContact CE2-CB 3.75Å; Y71-L104 WeakPolarHBondContact CE2-O 3.29Å; W102-L104 HydrophobicContact CZ2-CD1 3.95Å; W102-L104 PolarHBondContact O-N 3.1Å; W102-L104 VanDerWaalsContact O-N 3.1Å; L104-P108 VanDerWaalsContact O-CD 3.23Å; L104-P108 WeakPolarHBondContact O-CD 3.48Å
105A98.6Very high98.3Very high0 Ų037.9 Ų37.90%020%0.203CC..G310 helixtrans-84.5-21.1-178.900000113.9Y71 L94 S97 C98 W102 S103 P108 C109Y71-A105 HydrophobicContact CD2-CB 3.94Å; L94-A105 HydrophobicContact CD2-CB 4.19Å; S97-A105 VanDerWaalsContact CB-CB 3.49Å; S97-A105 VanDerWaalsContact OG-CB 3.3Å; S97-A105 WeakPolarHBondContact OG-CB 3.38Å; C98-A105 HydrophobicContact CB-CB 4.23Å; W102-A105 WeakPolarHBondContact O-CB 3.38Å; W102-A105 PolarHBondContact O-N 3.28Å; S103-A105 PolarHBondContact O-N 2.92Å; S103-A105 VanDerWaalsContact O-N 3.17Å; A105-P108 WeakPolarHBondContact O-CD 3.47Å; A105-C109 PolarHBondContact O-SG 3.46Å
106C98.8Very high98Very high0 Ų036.4 Ų36.40%020%0.197CC..Hα-helixtrans-70.1-47.4-175.8-610000113.6C98 S103 C109 A110 Y130 A134C98-C106 VanDerWaalsContact CA-SG 3.55Å; C98-C106 HydrophobicContact CB-CB 3.96Å; C98-C106 WeakPolarHBondContact CB-SG 3.3Å; C98-C106 WeakPolarHBondContact SG-CA 3.23Å; C98-C106 WeakPolarHBondContact SG-CB 3.21Å; C98-C106 CovalentContact SG-SG 2.03Å; C98-C106 PolarHBondContact SG-SG 2.79Å; S103-C106 PolarHBondContact O-N 3.24Å; C106-C109 WeakPolarHBondContact O-CB 3.43Å; C106-C109 PolarHBondContact O-N 2.93Å; C106-C109 VanDerWaalsContact O-N 3.07Å; C106-A110 PolarHBondContact O-N 3.44Å; C106-Y130 WeakPolarHBondContact CB-O 3.04Å; C106-A134 HydrophobicContact CB-CB 3.75Å
107P98.8Very high97.9Very high10 Ų1045.2 Ų45.27%0.06523%0.232CC..Hα-helixtrans-59.6-41.8178.8-21.732.1000113.9S103 C109 A110 F111 M131 A134 A142S103-P107 WeakPolarHBondContact O-CD 3.34Å; P107-C109 VanDerWaalsContact C-N 3.29Å; P107-C109 PolarHBondContact O-N 3.02Å; P107-A110 WeakPolarHBondContact O-CB 3.05Å; P107-A110 PolarHBondContact O-N 3.09Å; P107-A110 VanDerWaalsContact O-N 3.12Å; P107-F111 HydrophobicContact CB-CD2 4.4Å; P107-F111 HydrophobicContact CB-CE2 4.05Å; P107-F111 WeakPolarHBondContact O-CD2 3.39Å; P107-F111 PolarHBondContact O-N 3.27Å; P107-M131 HydrophobicContact CB-CE 3.96Å; P107-M131 HydrophobicContact CB-SD 3.92Å; P107-M131 HydrophobicContact CG-SD 4.3Å; P107-A134 HydrophobicContact CG-CB 3.96Å; P107-A142 HydrophobicContact CG-CB 4.34Å
108P98.6Very high97.6Very high17 Ų1750.8 Ų50.811%0.1127%0.265CS..Hα-helixtrans-52.9-40.4170.8-31.337.8000114.4L78 L94 L104 A105 A110 F111 I112L78-P108 HydrophobicContact CD1-CB 4.15Å; L94-P108 HydrophobicContact CD1-CB 3.74Å; L94-P108 HydrophobicContact CD2-CB 4.3Å; L104-P108 VanDerWaalsContact O-CD 3.23Å; L104-P108 WeakPolarHBondContact O-CD 3.48Å; A105-P108 WeakPolarHBondContact O-CD 3.47Å; P108-A110 PolarHBondContact O-N 3.31Å; P108-F111 PolarHBondContact O-N 2.9Å; P108-I112 VanDerWaalsContact O-CG1 3.25Å; P108-I112 WeakPolarHBondContact O-CG1 3.41Å; P108-I112 PolarHBondContact O-N 2.97Å
109C98.7Very high97.5Very high0 Ų051.9 Ų51.90%027%0.273CS..Hα-helixtrans-59.6-47.1174.9-660000111.6Y91 L94 R95 A105 C106 P107 F111 I112 L113 Y130Y91-C109 HydrophobicContact CD2-CB 4.23Å; Y91-C109 HydrophobicContact CE2-CB 4.02Å; L94-C109 VanDerWaalsContact CB-SG 3.59Å; R95-C109 PolarHBondContact N-SG 2.91Å; R95-C109 VanDerWaalsContact N-SG 3.38Å; A105-C109 PolarHBondContact O-SG 3.46Å; C106-C109 WeakPolarHBondContact O-CB 3.43Å; C106-C109 PolarHBondContact O-N 2.93Å; C106-C109 VanDerWaalsContact O-N 3.07Å; P107-C109 VanDerWaalsContact C-N 3.29Å; P107-C109 PolarHBondContact O-N 3.02Å; C109-F111 PolarHBondContact O-N 3.42Å; C109-I112 PolarHBondContact O-N 3.33Å; C109-L113 WeakPolarHBondContact O-CG 3.34Å; C109-L113 PolarHBondContact O-N 2.89Å; C109-Y130 HydrophobicContact CB-CD1 4.09Å; C109-Y130 HydrophobicContact CB-CD2 3.65Å; C109-Y130 HydrophobicContact CB-CE1 4.13Å; C109-Y130 HydrophobicContact CB-CE2 3.69Å; C109-Y130 HydrophobicContact CB-CG 3.88Å
110A98.5Very high97.4Very high0 Ų050.8 Ų50.80%027%0.269CS..Hα-helixtrans-59.1-45.7176.600000112.1C106 P107 P108 I112 L113 L114 A127 M131C106-A110 PolarHBondContact O-N 3.44Å; P107-A110 WeakPolarHBondContact O-CB 3.05Å; P107-A110 PolarHBondContact O-N 3.09Å; P107-A110 VanDerWaalsContact O-N 3.12Å; P108-A110 PolarHBondContact O-N 3.31Å; A110-I112 PolarHBondContact O-N 3.08Å; A110-L113 PolarHBondContact O-N 3.41Å; A110-L114 VanDerWaalsContact O-CG 3.3Å; A110-L114 WeakPolarHBondContact O-CG 3.19Å; A110-L114 PolarHBondContact O-N 2.93Å; A110-A127 HydrophobicContact CB-CB 3.81Å; A110-A127 VanDerWaalsContact CB-O 3.32Å; A110-A127 WeakPolarHBondContact CB-O 3.27Å; A110-M131 HydrophobicContact CB-CE 3.92Å; A110-M131 HydrophobicContact CB-CG 3.94Å; A110-M131 HydrophobicContact CB-SD 4.45Å
111F98.2Very high97.4Very high103 Ų10353.2 Ų53.245%0.45227%0.274SS..Hα-helixtrans-65.6-38.6180-70.4-58.7000113P107 P108 C109 L113 L114 S115 M131 W145P107-F111 HydrophobicContact CB-CD2 4.4Å; P107-F111 HydrophobicContact CB-CE2 4.05Å; P107-F111 WeakPolarHBondContact O-CD2 3.39Å; P107-F111 PolarHBondContact O-N 3.27Å; P108-F111 PolarHBondContact O-N 2.9Å; C109-F111 PolarHBondContact O-N 3.42Å; F111-L113 VanDerWaalsContact C-N 3.35Å; F111-L113 PolarHBondContact O-N 2.97Å; F111-L114 PolarHBondContact O-N 3.43Å; F111-S115 VanDerWaalsContact O-CB 3.24Å; F111-S115 WeakPolarHBondContact O-CB 3.23Å; F111-S115 PolarHBondContact O-N 3.48Å; F111-S115 PolarHBondContact O-OG 3.05Å; F111-M131 HydrophobicContact CD2-CE 4.28Å; F111-M131 HydrophobicContact CE1-CE 4.03Å; F111-M131 HydrophobicContact CE2-CE 3.68Å; F111-M131 HydrophobicContact CZ-CE 3.53Å; F111-W145 AromaticContact CE1-NE1 3.8Å
112I98.3Very high97.3Very high7 Ų754.4 Ų54.44%0.03628%0.277CS..Hα-helixtrans-57.7-51.6174.4-67.1161.9000109.5L78 D87 A90 Y91 L94 P108 C109 A110 L114 S115 R116L78-I112 HydrophobicContact CD1-CD1 4.34Å; L78-I112 HydrophobicContact CD2-CD1 3.82Å; L78-I112 HydrophobicContact CD2-CG1 3.79Å; D87-I112 HydrophobicContact CB-CG2 4.48Å; A90-I112 HydrophobicContact CB-CD1 4.19Å; Y91-I112 HydrophobicContact CD2-CB 4.29Å; Y91-I112 HydrophobicContact CD2-CD1 4.34Å; Y91-I112 HydrophobicContact CD2-CG2 4.23Å; Y91-I112 HydrophobicContact CG-CG2 4.49Å; L94-I112 HydrophobicContact CD1-CD1 4Å; P108-I112 VanDerWaalsContact O-CG1 3.25Å; P108-I112 WeakPolarHBondContact O-CG1 3.41Å; P108-I112 PolarHBondContact O-N 2.97Å; C109-I112 PolarHBondContact O-N 3.33Å; A110-I112 PolarHBondContact O-N 3.08Å; I112-L114 PolarHBondContact O-N 3.18Å; I112-S115 PolarHBondContact O-N 3.2Å; I112-S115 PolarHBondContact O-OG 2.96Å; I112-R116 PolarHBondContact O-N 3.36Å
113L98Very high97.3Very high1 Ų151.4 Ų51.41%0.00527%0.267CS..Hα-helixtrans-56.2-49.6179.2-68.3-179.1000112.3Y91 C109 A110 F111 S115 R116 D123 K126 A127 Y130Y91-L113 HydrophobicContact CD2-CD2 4.39Å; Y91-L113 HydrophobicContact CD2-CG 4.46Å; Y91-L113 HydrophobicContact CE2-CD1 4.09Å; Y91-L113 HydrophobicContact CE2-CD2 3.72Å; Y91-L113 HydrophobicContact CE2-CG 3.73Å; C109-L113 WeakPolarHBondContact O-CG 3.34Å; C109-L113 PolarHBondContact O-N 2.89Å; A110-L113 PolarHBondContact O-N 3.41Å; F111-L113 VanDerWaalsContact C-N 3.35Å; F111-L113 PolarHBondContact O-N 2.97Å; L113-S115 PolarHBondContact O-N 2.9Å; L113-R116 WeakPolarHBondContact O-CB 3.3Å; L113-R116 PolarHBondContact O-N 3.24Å; L113-D123 HydrophobicContact CB-CB 4.23Å; L113-K126 HydrophobicContact CD1-CB 3.55Å; L113-A127 HydrophobicContact CB-CB 4.43Å; L113-Y130 HydrophobicContact CD1-CD2 4.05Å; L113-Y130 HydrophobicContact CD1-CE2 3.89Å
114L97.3Very high97.3Very high28 Ų2850.1 Ų50.115%0.14726%0.258CS..Hα-helixtrans-67.4-23.8-178.6-66.4175.7000113.5A110 F111 I112 V124 A127 W145 Y154A110-L114 VanDerWaalsContact O-CG 3.3Å; A110-L114 WeakPolarHBondContact O-CG 3.19Å; A110-L114 PolarHBondContact O-N 2.93Å; F111-L114 PolarHBondContact O-N 3.43Å; I112-L114 PolarHBondContact O-N 3.18Å; L114-V124 HydrophobicContact CD2-CB 4.39Å; L114-V124 HydrophobicContact CD2-CG2 3.93Å; L114-A127 HydrophobicContact CD1-CB 3.94Å; L114-A127 HydrophobicContact CD2-CB 3.79Å; L114-A127 HydrophobicContact CG-CB 3.6Å; L114-W145 HydrophobicContact CD1-CH2 3.98Å; L114-W145 HydrophobicContact CD1-CZ2 3.66Å; L114-Y154 HydrophobicContact CD2-CE1 3.85Å
115S96.2Very high97.3Very high75 Ų7551.3 Ų51.352%0.52426%0.261SS..Hα-helixtrans-87.8-7.5-179.773.40000114.3F111 I112 L113 K117F111-S115 VanDerWaalsContact O-CB 3.24Å; F111-S115 WeakPolarHBondContact O-CB 3.23Å; F111-S115 PolarHBondContact O-N 3.48Å; F111-S115 PolarHBondContact O-OG 3.05Å; I112-S115 PolarHBondContact O-N 3.2Å; I112-S115 PolarHBondContact O-OG 2.96Å; L113-S115 PolarHBondContact O-N 2.9Å; S115-K117 PolarHBondContact O-N 3.23Å
116R94.2Very high97.3Very high80 Ų8055 Ų5530%0.30228%0.277SS..  trans-61.2135.8179.1-73.3176.9169.2171.8-5.9110.4D88 I112 L113 T118 C119 D123D88-R116 IonicContact OD1-NH2 3.15Å; I112-R116 PolarHBondContact O-N 3.36Å; L113-R116 WeakPolarHBondContact O-CB 3.3Å; L113-R116 PolarHBondContact O-N 3.24Å; R116-T118 PolarHBondContact O-N 2.95Å; R116-T118 VanDerWaalsContact O-N 3.13Å; R116-C119 HydrophobicContact CB-CB 4.49Å; R116-C119 WeakPolarHBondContact O-CB 3.32Å; R116-C119 PolarHBondContact O-N 3.17Å; R116-D123 IonicContact NH1-OD1 3.12Å; R116-D123 PolarHBondContact NH1-OD1 3.47Å; R116-D123 VanDerWaalsContact NH1-OD1 3.15Å
117K94.1Very high97.2Very high217 Ų21755 Ų5594%0.94328%0.277SS*.THydrogen-bonded Turntrans-54.2-35.1174.8-70.1-175.7178.2-179.40112.2S115S115-K117 PolarHBondContact O-N 3.23Å
118T93.6Very high97.2Very high116 Ų11654.5 Ų54.571%0.71227%0.274SS*.THydrogen-bonded Turntrans-104.738.2178.556.50000111.9R116 T120R116-T118 PolarHBondContact O-N 2.95Å; R116-T118 VanDerWaalsContact O-N 3.13Å; T118-T120 WeakPolarHBondContact O-CG2 3.33Å; T118-T120 PolarHBondContact O-N 3.31Å; T118-T120 VanDerWaalsContact O-N 3.12Å
119C95.5Very high97.2Very high23 Ų2357.2 Ų57.216%0.15529%0.288CS..  trans-57.4115.7178.7179.50000111.4R116R116-C119 HydrophobicContact CB-CB 4.49Å; R116-C119 WeakPolarHBondContact O-CB 3.32Å; R116-C119 PolarHBondContact O-N 3.17Å
120T97.1Very high97.2Very high65 Ų6558.5 Ų58.540%0.39929%0.293SS..  trans-91.6171.7179.167.10000111.7T118 E122 D123 V124T118-T120 WeakPolarHBondContact O-CG2 3.33Å; T118-T120 PolarHBondContact O-N 3.31Å; T118-T120 VanDerWaalsContact O-N 3.12Å; T120-E122 VanDerWaalsContact C-N 3.25Å; T120-E122 PolarHBondContact O-N 2.96Å; T120-E122 PolarHBondContact OG1-N 3.07Å; T120-D123 WeakPolarHBondContact CB-OD2 3.42Å; T120-D123 PolarHBondContact N-OD2 3.33Å; T120-D123 PolarHBondContact O-N 3.12Å; T120-D123 VanDerWaalsContact OG1-CG 3.3Å; T120-D123 PolarHBondContact OG1-N 3.28Å; T120-D123 PolarHBondContact OG1-OD2 3.31Å; T120-V124 WeakPolarHBondContact O-CG2 3.47Å; T120-V124 PolarHBondContact O-N 3Å; T120-V124 VanDerWaalsContact O-N 3.14Å
121L97.2Very high97.3Very high105 Ų10558.6 Ų58.655%0.5529%0.293SS..Hα-helixtrans-66.2-30.1170.8-65.3-176.7000112.2V124 Q125 K155L121-V124 PolarHBondContact O-N 3.5Å; L121-Q125 PolarHBondContact O-N 3.45Å; L121-K155 HydrophobicContact CD2-CG 4.18Å
122E97.3Very high97.3Very high120 Ų12056.3 Ų56.356%0.56128%0.284SS*.Hα-helixtrans-66.4-41.7173.9-171.5-172.2158.500111.3T120 V124 Q125 K126T120-E122 VanDerWaalsContact C-N 3.25Å; T120-E122 PolarHBondContact O-N 2.96Å; T120-E122 PolarHBondContact OG1-N 3.07Å; E122-V124 VanDerWaalsContact C-N 3.3Å; E122-V124 PolarHBondContact O-N 3.14Å; E122-Q125 PolarHBondContact O-N 3.34Å; E122-K126 WeakPolarHBondContact O-CG 3.44Å; E122-K126 PolarHBondContact O-N 3.05Å; E122-K126 VanDerWaalsContact OE1-CE 3.23Å; E122-K126 WeakPolarHBondContact OE1-CE 3.41Å; E122-K126 IonicContact OE1-NZ 2.88Å; E122-K126 PolarHBondContact OE1-NZ 2.86Å
123D97.8Very high97.3Very high15 Ų1558.7 Ų58.78%0.0829%0.294CS..Hα-helixtrans-61.5-40.2174-65.8-61.1000111.2L113 R116 T120 A127L113-D123 HydrophobicContact CB-CB 4.23Å; R116-D123 IonicContact NH1-OD1 3.12Å; R116-D123 PolarHBondContact NH1-OD1 3.47Å; R116-D123 VanDerWaalsContact NH1-OD1 3.15Å; T120-D123 WeakPolarHBondContact CB-OD2 3.42Å; T120-D123 PolarHBondContact N-OD2 3.33Å; T120-D123 PolarHBondContact O-N 3.12Å; T120-D123 VanDerWaalsContact OG1-CG 3.3Å; T120-D123 PolarHBondContact OG1-N 3.28Å; T120-D123 PolarHBondContact OG1-OD2 3.31Å; D123-A127 WeakPolarHBondContact O-CB 3.39Å; D123-A127 PolarHBondContact O-N 3.47Å
124V98.4Very high97.3Very high2 Ų258.6 Ų58.61%0.01229%0.294CS..Hα-helixtrans-61.8-48.2174.9175.30000110.7L114 T120 L121 E122 K126 A127 F128 Y154 K155 V157L114-V124 HydrophobicContact CD2-CB 4.39Å; L114-V124 HydrophobicContact CD2-CG2 3.93Å; T120-V124 WeakPolarHBondContact O-CG2 3.47Å; T120-V124 PolarHBondContact O-N 3Å; T120-V124 VanDerWaalsContact O-N 3.14Å; L121-V124 PolarHBondContact O-N 3.5Å; E122-V124 VanDerWaalsContact C-N 3.3Å; E122-V124 PolarHBondContact O-N 3.14Å; V124-K126 PolarHBondContact O-N 3.27Å; V124-A127 WeakPolarHBondContact O-CB 3.35Å; V124-A127 PolarHBondContact O-N 3.19Å; V124-A127 VanDerWaalsContact O-N 3.15Å; V124-F128 HydrophobicContact CG1-CD2 4Å; V124-F128 HydrophobicContact CG1-CE2 3.94Å; V124-F128 WeakPolarHBondContact O-CD2 3.3Å; V124-F128 PolarHBondContact O-N 3.32Å; V124-Y154 HydrophobicContact CG1-CD1 3.72Å; V124-Y154 HydrophobicContact CG1-CE1 4.03Å; V124-Y154 HydrophobicContact CG2-CD1 4.42Å; V124-Y154 HydrophobicContact CG2-CE1 4Å; V124-K155 WeakPolarHBondContact CG1-O 3.41Å; V124-V157 HydrophobicContact CG1-CG2 3.87Å
125Q98.1Very high97.4Very high93 Ų9357.3 Ų57.344%0.43529%0.287SS..Hα-helixtrans-60.5-47.1-179.9-173.456.855.400111.2L121 E122 A127 F128 D129L121-Q125 PolarHBondContact O-N 3.45Å; E122-Q125 PolarHBondContact O-N 3.34Å; Q125-A127 VanDerWaalsContact C-N 3.27Å; Q125-A127 PolarHBondContact O-N 3.48Å; Q125-F128 WeakPolarHBondContact O-CB 3.45Å; Q125-F128 PolarHBondContact O-N 2.03Å; Q125-F128 VanDerWaalsContact O-N 3.08Å; Q125-D129 PolarHBondContact NE2-OD1 2.83Å; Q125-D129 PolarHBondContact O-N 2.96Å
126K98Very high97.5Very high78 Ų7861.2 Ų61.234%0.33930%0.295SS..Hα-helixtrans-59.6-37175.3-73.8177.1-174.5165.50112.7L113 E122 V124 D129 Y130L113-K126 HydrophobicContact CD1-CB 3.55Å; E122-K126 WeakPolarHBondContact O-CG 3.44Å; E122-K126 PolarHBondContact O-N 3.05Å; E122-K126 VanDerWaalsContact OE1-CE 3.23Å; E122-K126 WeakPolarHBondContact OE1-CE 3.41Å; E122-K126 IonicContact OE1-NZ 2.88Å; E122-K126 PolarHBondContact OE1-NZ 2.86Å; V124-K126 PolarHBondContact O-N 3.27Å; K126-D129 PolarHBondContact O-N 3.08Å; K126-Y130 WeakPolarHBondContact O-CD2 3.46Å; K126-Y130 PolarHBondContact O-N 3.02Å
127A98.5Very high97.7Very high0 Ų059.8 Ų59.80%029%0.292CS..Hα-helixtrans-64.7-39.9175.900000112.1A110 L113 L114 D123 V124 Q125 Y130 M131A110-A127 HydrophobicContact CB-CB 3.81Å; A110-A127 VanDerWaalsContact CB-O 3.32Å; A110-A127 WeakPolarHBondContact CB-O 3.27Å; L113-A127 HydrophobicContact CB-CB 4.43Å; L114-A127 HydrophobicContact CD1-CB 3.94Å; L114-A127 HydrophobicContact CD2-CB 3.79Å; L114-A127 HydrophobicContact CG-CB 3.6Å; D123-A127 WeakPolarHBondContact O-CB 3.39Å; D123-A127 PolarHBondContact O-N 3.47Å; V124-A127 WeakPolarHBondContact O-CB 3.35Å; V124-A127 PolarHBondContact O-N 3.19Å; V124-A127 VanDerWaalsContact O-N 3.15Å; Q125-A127 VanDerWaalsContact C-N 3.27Å; Q125-A127 PolarHBondContact O-N 3.48Å; A127-Y130 PolarHBondContact O-N 3.3Å; A127-M131 WeakPolarHBondContact O-CG 3.48Å; A127-M131 PolarHBondContact O-N 3.46Å; A127-M131 VanDerWaalsContact O-N 3.09Å
128F98.6Very high97.9Very high0 Ų055.3 Ų55.30%028%0.275CS..Hα-helixtrans-63.8-45.6171.3-86.5-109.7000110.9V124 Q125 Y130 M131 E132 W145 L146 R149 Y150 Y154 V157V124-F128 HydrophobicContact CG1-CD2 4Å; V124-F128 HydrophobicContact CG1-CE2 3.94Å; V124-F128 WeakPolarHBondContact O-CD2 3.3Å; V124-F128 PolarHBondContact O-N 3.32Å; Q125-F128 WeakPolarHBondContact O-CB 3.45Å; Q125-F128 PolarHBondContact O-N 2.03Å; Q125-F128 VanDerWaalsContact O-N 3.08Å; F128-Y130 VanDerWaalsContact C-N 3.28Å; F128-Y130 PolarHBondContact O-N 3.5Å; F128-M131 CarbonylContact O-C 3.51Å; F128-M131 PolarHBondContact O-N 2.96Å; F128-E132 WeakPolarHBondContact O-CG 3.45Å; F128-E132 PolarHBondContact O-N 2.96Å; F128-W145 HydrophobicContact CD1-CZ3 4.36Å; F128-W145 HydrophobicContact CD2-CH2 4.08Å; F128-W145 HydrophobicContact CD2-CZ3 4.1Å; F128-W145 HydrophobicContact CE1-CZ3 4.2Å; F128-W145 AromaticContact CE2-CH2 3.73Å; F128-W145 HydrophobicContact CE2-CH2 3.73Å; F128-W145 AromaticContact CE2-CZ3 3.93Å; F128-W145 HydrophobicContact CE2-CZ3 3.93Å; F128-W145 HydrophobicContact CG-CZ3 4.34Å; F128-W145 HydrophobicContact CZ-CH2 4.13Å; F128-W145 HydrophobicContact CZ-CZ3 4.01Å; F128-L146 HydrophobicContact CD1-CD2 3.89Å; F128-L146 HydrophobicContact CE1-CD2 4.41Å; F128-R149 HydrophobicContact CE1-CB 3.95Å; F128-R149 HydrophobicContact CZ-CB 3.68Å; F128-R149 HydrophobicContact CZ-CG 4.28Å; F128-Y150 HydrophobicContact CD1-CE1 4.49Å; F128-Y150 HydrophobicContact CD1-CE2 4.02Å; F128-Y150 AromaticContact CD1-CZ 3.83Å; F128-Y150 HydrophobicContact CE1-CD2 4.45Å; F128-Y150 HydrophobicContact CE1-CE1 4.2Å; F128-Y150 HydrophobicContact CE1-CE2 4.05Å; F128-Y150 AromaticContact CE1-CZ 3.91Å; F128-Y154 HydrophobicContact CE2-CD1 4.12Å; F128-Y154 HydrophobicContact CE2-CG 4.33Å; F128-V157 HydrophobicContact CD1-CG1 4.37Å; F128-V157 HydrophobicContact CD2-CG2 4.09Å; F128-V157 HydrophobicContact CE1-CB 4.37Å; F128-V157 HydrophobicContact CE1-CG1 3.76Å; F128-V157 HydrophobicContact CE1-CG2 4.32Å; F128-V157 HydrophobicContact CE2-CB 4.33Å; F128-V157 HydrophobicContact CE2-CG2 3.77Å; F128-V157 HydrophobicContact CG-CG2 4.47Å; F128-V157 HydrophobicContact CZ-CB 3.96Å; F128-V157 HydrophobicContact CZ-CG1 3.86Å; F128-V157 HydrophobicContact CZ-CG2 3.87Å
129D98.6Very high98.1Very high73 Ų7351 Ų5139%0.3925%0.247SC..Hα-helixtrans-57.4-41.3178.4-57.1-17.8000111.8Q125 K126 E132 K133Q125-D129 PolarHBondContact NE2-OD1 2.83Å; Q125-D129 PolarHBondContact O-N 2.96Å; K126-D129 PolarHBondContact O-N 3.08Å; D129-E132 PolarHBondContact O-N 3.28Å; D129-K133 WeakPolarHBondContact O-CB 3.06Å; D129-K133 PolarHBondContact O-N 3.2Å
130Y98.8Very high98.2Very high28 Ų2851.6 Ų51.611%0.1125%0.25CS..Hα-helixtrans-64.2-42.2174.2-79.7-52.2000112.8Y91 R95 C106 C109 L113 K126 A127 F128 K133 A134Y91-Y130 AromaticContact CE2-CE2 3.99Å; Y91-Y130 HydrophobicContact CE2-CE2 3.99Å; Y91-Y130 PolarHBondContact OH-OH 3.15Å; R95-Y130 WeakPolarHBondContact CG-OH 3.34Å; C106-Y130 WeakPolarHBondContact CB-O 3.04Å; C109-Y130 HydrophobicContact CB-CD1 4.09Å; C109-Y130 HydrophobicContact CB-CD2 3.65Å; C109-Y130 HydrophobicContact CB-CE1 4.13Å; C109-Y130 HydrophobicContact CB-CE2 3.69Å; C109-Y130 HydrophobicContact CB-CG 3.88Å; L113-Y130 HydrophobicContact CD1-CD2 4.05Å; L113-Y130 HydrophobicContact CD1-CE2 3.89Å; K126-Y130 WeakPolarHBondContact O-CD2 3.46Å; K126-Y130 PolarHBondContact O-N 3.02Å; A127-Y130 PolarHBondContact O-N 3.3Å; F128-Y130 VanDerWaalsContact C-N 3.28Å; F128-Y130 PolarHBondContact O-N 3.5Å; Y130-K133 PolarHBondContact O-N 2.93Å; Y130-A134 WeakPolarHBondContact O-CB 3.17Å; Y130-A134 PolarHBondContact O-N 3.37Å
131M98.8Very high98.3Very high2 Ų254.5 Ų54.51%0.0126%0.259CS..Hα-helixtrans-66.9-40.1176.8-71.4-69.7-168.300111.4P107 A110 F111 A127 F128 A134 C135 A142 W145 L146P107-M131 HydrophobicContact CB-CE 3.96Å; P107-M131 HydrophobicContact CB-SD 3.92Å; P107-M131 HydrophobicContact CG-SD 4.3Å; A110-M131 HydrophobicContact CB-CE 3.92Å; A110-M131 HydrophobicContact CB-CG 3.94Å; A110-M131 HydrophobicContact CB-SD 4.45Å; F111-M131 HydrophobicContact CD2-CE 4.28Å; F111-M131 HydrophobicContact CE1-CE 4.03Å; F111-M131 HydrophobicContact CE2-CE 3.68Å; F111-M131 HydrophobicContact CZ-CE 3.53Å; A127-M131 WeakPolarHBondContact O-CG 3.48Å; A127-M131 PolarHBondContact O-N 3.46Å; A127-M131 VanDerWaalsContact O-N 3.09Å; F128-M131 CarbonylContact O-C 3.51Å; F128-M131 PolarHBondContact O-N 2.96Å; M131-A134 PolarHBondContact O-N 3.14Å; M131-C135 WeakPolarHBondContact O-CB 3.29Å; M131-C135 PolarHBondContact O-N 2.79Å; M131-A142 HydrophobicContact SD-CB 4.06Å; M131-W145 HydrophobicContact CB-CE3 4.11Å; M131-W145 HydrophobicContact CB-CZ3 4.31Å; M131-W145 HydrophobicContact CE-CD2 3.89Å; M131-W145 HydrophobicContact CE-CE3 4.31Å; M131-W145 HydrophobicContact CE-CG 4Å; M131-W145 HydrophobicContact CG-CD2 4.23Å; M131-W145 HydrophobicContact CG-CE3 3.69Å; M131-W145 HydrophobicContact CG-CZ3 3.88Å; M131-W145 HydrophobicContact SD-CB 4.49Å; M131-W145 HydrophobicContact SD-CD2 4.31Å; M131-W145 HydrophobicContact SD-CE3 4.3Å; M131-W145 HydrophobicContact SD-CG 4.41Å; M131-L146 HydrophobicContact CB-CD1 4.19Å; M131-L146 HydrophobicContact CB-CD2 3.78Å; M131-L146 HydrophobicContact CB-CG 3.88Å
132E98.7Very high98.4Very high54 Ų5449.6 Ų49.625%0.25223%0.233SC..Hα-helixtrans-63.4-43176-68.6-165.8151.200110.8F128 D129 C135 K136 L146 Y150 Y167F128-E132 WeakPolarHBondContact O-CG 3.45Å; F128-E132 PolarHBondContact O-N 2.96Å; D129-E132 PolarHBondContact O-N 3.28Å; E132-C135 PolarHBondContact O-N 3.1Å; E132-K136 WeakPolarHBondContact O-CB 3.16Å; E132-K136 PolarHBondContact O-N 2.84Å; E132-L146 HydrophobicContact CB-CD1 4.43Å; E132-L146 HydrophobicContact CG-CD1 3.95Å; E132-L146 HydrophobicContact CG-CD2 3.89Å; E132-Y150 PolarHBondContact OE1-OH 3.19Å; E132-Y167 VanDerWaalsContact CG-OH 3.28Å; E132-Y167 WeakPolarHBondContact CG-OH 3.42Å; E132-Y167 PolarHBondContact OE1-OH 2.71Å
133K98.8Very high98.4Very high57 Ų5743.9 Ų43.925%0.24821%0.207CC..Hα-helixtrans-61-46.6172.7-175.9172.1-178.3-1800111.7C98 D99 N101 D129 Y130 C135 K136 L137C98-K133 WeakPolarHBondContact O-CE 3.35Å; C98-K133 PolarHBondContact O-NZ 3.29Å; D99-K133 VanDerWaalsContact CA-NZ 3.33Å; D99-K133 PolarHBondContact O-NZ 3.29Å; N101-K133 WeakPolarHBondContact OD1-CE 3.47Å; N101-K133 PolarHBondContact OD1-NZ 2.84Å; D129-K133 WeakPolarHBondContact O-CB 3.06Å; D129-K133 PolarHBondContact O-N 3.2Å; Y130-K133 PolarHBondContact O-N 2.93Å; K133-C135 PolarHBondContact O-N 3.05Å; K133-K136 WeakPolarHBondContact O-CB 3.19Å; K133-K136 PolarHBondContact O-N 3.31Å; K133-L137 HydrophobicContact CG-CD1 4.05Å; K133-L137 WeakPolarHBondContact O-CG 3.28Å; K133-L137 PolarHBondContact O-N 3.24Å
134A98.8Very high98.5Very high0 Ų044.1 Ų44.10%021%0.21CC..Hα-helixtrans-59.5-45.9177.600000111.6C106 P107 Y130 M131 K136 L137 E138 H139 A142C106-A134 HydrophobicContact CB-CB 3.75Å; P107-A134 HydrophobicContact CG-CB 3.96Å; Y130-A134 WeakPolarHBondContact O-CB 3.17Å; Y130-A134 PolarHBondContact O-N 3.37Å; M131-A134 PolarHBondContact O-N 3.14Å; A134-K136 VanDerWaalsContact C-N 3.34Å; A134-K136 PolarHBondContact O-N 3.33Å; A134-L137 CarbonylContact O-C 3.47Å; A134-L137 WeakPolarHBondContact O-CA 3.22Å; A134-L137 PolarHBondContact O-N 3.27Å; A134-L137 VanDerWaalsContact O-N 3.11Å; A134-E138 PolarHBondContact O-N 3.02Å; A134-H139 HydrophobicContact CB-CB 4Å; A134-H139 WeakPolarHBondContact O-CB 3.41Å; A134-H139 PolarHBondContact O-N 3.01Å; A134-A142 HydrophobicContact CB-CB 3.47Å; A134-A142 VanDerWaalsContact CB-CB 3.47Å
135C98.7Very high98.5Very high0 Ų045.4 Ų45.40%021%0.214CC..Hα-helixtrans-64.5-37.2176.5178.50000112.2M131 E132 K133 L137 E138 A142 C143 L146 R170M131-C135 WeakPolarHBondContact O-CB 3.29Å; M131-C135 PolarHBondContact O-N 2.79Å; E132-C135 PolarHBondContact O-N 3.1Å; K133-C135 PolarHBondContact O-N 3.05Å; C135-L137 PolarHBondContact O-N 3.35Å; C135-E138 PolarHBondContact O-N 3.43Å; C135-A142 HydrophobicContact CB-CB 4.38Å; C135-C143 WeakPolarHBondContact CA-SG 3.46Å; C135-C143 HydrophobicContact CB-CB 3.99Å; C135-C143 WeakPolarHBondContact CB-SG 3.33Å; C135-C143 WeakPolarHBondContact SG-CA 3.23Å; C135-C143 WeakPolarHBondContact SG-CB 3.3Å; C135-C143 CovalentContact SG-SG 2.03Å; C135-C143 PolarHBondContact SG-SG 2.84Å; C135-L146 HydrophobicContact CB-CD1 3.85Å; C135-R170 PolarHBondContact O-NH2 2.9Å; C135-R170 VanDerWaalsContact O-NH2 3.1Å
136K98.5Very high98.5Very high158 Ų15841 Ų4169%0.68719%0.194SC*.Hα-helixtrans-61.7-35.4172.2-174177.9177.9179.90111.9E132 K133 A134 E138E132-K136 WeakPolarHBondContact O-CB 3.16Å; E132-K136 PolarHBondContact O-N 2.84Å; K133-K136 WeakPolarHBondContact O-CB 3.19Å; K133-K136 PolarHBondContact O-N 3.31Å; A134-K136 VanDerWaalsContact C-N 3.34Å; A134-K136 PolarHBondContact O-N 3.33Å; K136-E138 PolarHBondContact O-N 3.29Å
137L98.3Very high98.6Very high49 Ų4937.5 Ų37.526%0.25718%0.179SC..THydrogen-bonded Turntrans-86.429.3172.8-59.5168.5000112.5N101 S103 K133 A134 C135 H139N101-L137 HydrophobicContact CB-CD1 3.95Å; N101-L137 HydrophobicContact CB-CD2 3.84Å; S103-L137 WeakPolarHBondContact CB-O 3.44Å; K133-L137 HydrophobicContact CG-CD1 4.05Å; K133-L137 WeakPolarHBondContact O-CG 3.28Å; K133-L137 PolarHBondContact O-N 3.24Å; A134-L137 CarbonylContact O-C 3.47Å; A134-L137 WeakPolarHBondContact O-CA 3.22Å; A134-L137 PolarHBondContact O-N 3.27Å; A134-L137 VanDerWaalsContact O-N 3.11Å; C135-L137 PolarHBondContact O-N 3.35Å; L137-H139 PolarHBondContact O-N 3.4Å; L137-H139 VanDerWaalsContact O-N 3.14Å
138E98.1Very high98.5Very high124 Ų12442 Ų4258%0.57920%0.203SC*.THydrogen-bonded Turntrans63.220.8170.3-43.5-168147.400115A134 C135 K136 P140 Y174A134-E138 PolarHBondContact O-N 3.02Å; C135-E138 PolarHBondContact O-N 3.43Å; K136-E138 PolarHBondContact O-N 3.29Å; E138-P140 WeakPolarHBondContact O-CD 3.33Å; E138-Y174 HydrophobicContact CB-CD1 4.19Å; E138-Y174 HydrophobicContact CB-CE1 3.73Å; E138-Y174 HydrophobicContact CB-CE2 4.26Å; E138-Y174 HydrophobicContact CG-CE1 3.86Å
139H98.4Very high98.5Very high25 Ų2546 Ų4612%0.11622%0.218CC..  trans-74.1110.2176.2-167.9-54.4000110.6A134 L137 H141 A142 C143A134-H139 HydrophobicContact CB-CB 4Å; A134-H139 WeakPolarHBondContact O-CB 3.41Å; A134-H139 PolarHBondContact O-N 3.01Å; L137-H139 PolarHBondContact O-N 3.4Å; L137-H139 VanDerWaalsContact O-N 3.14Å; H139-H141 PolarHBondContact ND1-N 3.26Å; H139-H141 PolarHBondContact O-N 2.87Å; H139-A142 HydrophobicContact CB-CB 3.95Å; H139-A142 PolarHBondContact ND1-N 3.09Å; H139-A142 PolarHBondContact O-N 3.14Å; H139-A142 VanDerWaalsContact O-N 3.13Å; H139-C143 PolarHBondContact O-N 3.47Å
140P97.8Very high98.5Very high36 Ų3643.2 Ų43.223%0.23420%0.202CC..Hα-helixtrans-64.8-46.7-167.8-16.327.2000112.4E138 A142 C143 S144 Y174 I176E138-P140 WeakPolarHBondContact O-CD 3.33Å; P140-A142 VanDerWaalsContact C-N 3.27Å; P140-A142 PolarHBondContact O-N 3.25Å; P140-C143 WeakPolarHBondContact O-CB 3.06Å; P140-C143 PolarHBondContact O-N 3.3Å; P140-S144 PolarHBondContact O-N 3.37Å; P140-Y174 WeakPolarHBondContact CB-O 3.38Å; P140-Y174 VanDerWaalsContact CG-O 3.3Å; P140-Y174 WeakPolarHBondContact CG-O 3.13Å; P140-I176 HydrophobicContact CB-CD1 3.79Å; P140-I176 HydrophobicContact CB-CG1 3.54Å
141H98.3Very high98.5Very high126 Ų12642.7 Ų42.758%0.58320%0.202SC*.Hα-helixtrans-66.7-25179.1-60.5-72.6000114H139 S144 W145 I176H139-H141 PolarHBondContact ND1-N 3.26Å; H139-H141 PolarHBondContact O-N 2.87Å; H141-S144 PolarHBondContact O-N 3.29Å; H141-W145 VanDerWaalsContact O-CB 3.31Å; H141-W145 WeakPolarHBondContact O-CB 3.47Å; H141-W145 PolarHBondContact O-N 3.15Å; H141-I176 VanDerWaalsContact CE1-CD1 3.5Å; H141-I176 WeakPolarHBondContact CE1-CD1 3.41Å
142A98.7Very high98.4Very high1 Ų146.4 Ų46.41%0.00823%0.228CC..Hα-helixtrans-72.4-41.4176.300000110.5P107 M131 A134 C135 H139 P140 W145 L146P107-A142 HydrophobicContact CG-CB 4.34Å; M131-A142 HydrophobicContact SD-CB 4.06Å; A134-A142 HydrophobicContact CB-CB 3.47Å; A134-A142 VanDerWaalsContact CB-CB 3.47Å; C135-A142 HydrophobicContact CB-CB 4.38Å; H139-A142 HydrophobicContact CB-CB 3.95Å; H139-A142 PolarHBondContact ND1-N 3.09Å; H139-A142 PolarHBondContact O-N 3.14Å; H139-A142 VanDerWaalsContact O-N 3.13Å; P140-A142 VanDerWaalsContact C-N 3.27Å; P140-A142 PolarHBondContact O-N 3.25Å; A142-W145 PolarHBondContact O-N 3.35Å; A142-L146 WeakPolarHBondContact O-CG 3.24Å; A142-L146 PolarHBondContact O-N 3.38Å
143C98.8Very high98.3Very high0 Ų044.4 Ų44.40%022%0.222CC..Hα-helixtrans-59.8-45.7171-59.10000111.2C135 H139 P140 W145 L146 S147 R170 A171C135-C143 WeakPolarHBondContact CA-SG 3.46Å; C135-C143 HydrophobicContact CB-CB 3.99Å; C135-C143 WeakPolarHBondContact CB-SG 3.33Å; C135-C143 WeakPolarHBondContact SG-CA 3.23Å; C135-C143 WeakPolarHBondContact SG-CB 3.3Å; C135-C143 CovalentContact SG-SG 2.03Å; C135-C143 PolarHBondContact SG-SG 2.84Å; H139-C143 PolarHBondContact O-N 3.47Å; P140-C143 WeakPolarHBondContact O-CB 3.06Å; P140-C143 PolarHBondContact O-N 3.3Å; C143-W145 VanDerWaalsContact C-N 3.35Å; C143-W145 PolarHBondContact O-N 3.18Å; C143-L146 PolarHBondContact O-N 3.48Å; C143-S147 PolarHBondContact O-N 2.92Å; C143-R170 HydrophobicContact CB-CB 4.25Å; C143-A171 HydrophobicContact CB-CB 3.71Å
144S98.6Very high98.2Very high20 Ų2045.3 Ų45.314%0.1423%0.225CC..Hα-helixtrans-62.2-42.2177.9177.90000111.7P140 H141 L146 S147 L148P140-S144 PolarHBondContact O-N 3.37Å; H141-S144 PolarHBondContact O-N 3.29Å; S144-L146 PolarHBondContact O-N 3.14Å; S144-S147 WeakPolarHBondContact O-CB 3.46Å; S144-S147 PolarHBondContact O-N 3.42Å; S144-L148 WeakPolarHBondContact O-CG 3.5Å; S144-L148 PolarHBondContact O-N 2.97Å
145W98.5Very high98Very high30 Ų3051.6 Ų51.611%0.11425%0.252CS..Hα-helixtrans-59.3-47175-170.499000111.8F111 L114 F128 M131 H141 A142 C143 S147 L148 R149F111-W145 AromaticContact CE1-NE1 3.8Å; L114-W145 HydrophobicContact CD1-CH2 3.98Å; L114-W145 HydrophobicContact CD1-CZ2 3.66Å; F128-W145 HydrophobicContact CD1-CZ3 4.36Å; F128-W145 HydrophobicContact CD2-CH2 4.08Å; F128-W145 HydrophobicContact CD2-CZ3 4.1Å; F128-W145 HydrophobicContact CE1-CZ3 4.2Å; F128-W145 AromaticContact CE2-CH2 3.73Å; F128-W145 HydrophobicContact CE2-CH2 3.73Å; F128-W145 AromaticContact CE2-CZ3 3.93Å; F128-W145 HydrophobicContact CE2-CZ3 3.93Å; F128-W145 HydrophobicContact CG-CZ3 4.34Å; F128-W145 HydrophobicContact CZ-CH2 4.13Å; F128-W145 HydrophobicContact CZ-CZ3 4.01Å; M131-W145 HydrophobicContact CB-CE3 4.11Å; M131-W145 HydrophobicContact CB-CZ3 4.31Å; M131-W145 HydrophobicContact CE-CD2 3.89Å; M131-W145 HydrophobicContact CE-CE3 4.31Å; M131-W145 HydrophobicContact CE-CG 4Å; M131-W145 HydrophobicContact CG-CD2 4.23Å; M131-W145 HydrophobicContact CG-CE3 3.69Å; M131-W145 HydrophobicContact CG-CZ3 3.88Å; M131-W145 HydrophobicContact SD-CB 4.49Å; M131-W145 HydrophobicContact SD-CD2 4.31Å; M131-W145 HydrophobicContact SD-CE3 4.3Å; M131-W145 HydrophobicContact SD-CG 4.41Å; H141-W145 VanDerWaalsContact O-CB 3.31Å; H141-W145 WeakPolarHBondContact O-CB 3.47Å; H141-W145 PolarHBondContact O-N 3.15Å; A142-W145 PolarHBondContact O-N 3.35Å; C143-W145 VanDerWaalsContact C-N 3.35Å; C143-W145 PolarHBondContact O-N 3.18Å; W145-S147 VanDerWaalsContact C-N 3.34Å; W145-S147 PolarHBondContact O-N 3.49Å; W145-L148 PolarHBondContact O-N 3.31Å; W145-R149 HydrophobicContact CD2-CG 3.7Å; W145-R149 HydrophobicContact CE3-CB 4.31Å; W145-R149 HydrophobicContact CE3-CG 3.6Å; W145-R149 HydrophobicContact CH2-CB 4.47Å; W145-R149 HydrophobicContact CH2-CG 3.61Å; W145-R149 HydrophobicContact CZ2-CG 3.69Å; W145-R149 HydrophobicContact CZ3-CB 4.14Å; W145-R149 HydrophobicContact CZ3-CG 3.56Å; W145-R149 VanDerWaalsContact O-CG 3.24Å; W145-R149 WeakPolarHBondContact O-CG 3.22Å; W145-R149 PolarHBondContact O-N 3.18Å
146L98.8Very high97.7Very high0 Ų054.7 Ų54.70%028%0.284CS..Hα-helixtrans-61.4-42.8176.8-71.9163.8000112F128 M131 E132 C135 A142 C143 S144 L148 R149 Y150 Y167F128-L146 HydrophobicContact CD1-CD2 3.89Å; F128-L146 HydrophobicContact CE1-CD2 4.41Å; M131-L146 HydrophobicContact CB-CD1 4.19Å; M131-L146 HydrophobicContact CB-CD2 3.78Å; M131-L146 HydrophobicContact CB-CG 3.88Å; E132-L146 HydrophobicContact CB-CD1 4.43Å; E132-L146 HydrophobicContact CG-CD1 3.95Å; E132-L146 HydrophobicContact CG-CD2 3.89Å; C135-L146 HydrophobicContact CB-CD1 3.85Å; A142-L146 WeakPolarHBondContact O-CG 3.24Å; A142-L146 PolarHBondContact O-N 3.38Å; C143-L146 PolarHBondContact O-N 3.48Å; S144-L146 PolarHBondContact O-N 3.14Å; L146-L148 PolarHBondContact O-N 3.44Å; L146-R149 PolarHBondContact O-N 3.42Å; L146-Y150 HydrophobicContact CB-CD2 4.46Å; L146-Y150 HydrophobicContact CD2-CE2 4.13Å; L146-Y150 WeakPolarHBondContact O-CD2 3.25Å; L146-Y150 PolarHBondContact O-N 2.98Å; L146-Y167 HydrophobicContact CB-CD1 4.02Å; L146-Y167 HydrophobicContact CB-CD2 3.69Å; L146-Y167 HydrophobicContact CB-CE1 4.41Å; L146-Y167 HydrophobicContact CB-CE2 4.09Å; L146-Y167 HydrophobicContact CB-CG 3.66Å; L146-Y167 HydrophobicContact CD1-CD1 3.75Å; L146-Y167 HydrophobicContact CD1-CD2 4.45Å; L146-Y167 HydrophobicContact CD1-CE1 3.51Å; L146-Y167 HydrophobicContact CD1-CE2 4.24Å; L146-Y167 HydrophobicContact CD1-CG 4.23Å
147S98.6Very high97.7Very high4 Ų448 Ų483%0.02826%0.256CS..Hα-helixtrans-56.8-50176.7-179.50000111.5C143 S144 W145 R149 S151 A164 A168C143-S147 PolarHBondContact O-N 2.92Å; S144-S147 WeakPolarHBondContact O-CB 3.46Å; S144-S147 PolarHBondContact O-N 3.42Å; W145-S147 VanDerWaalsContact C-N 3.34Å; W145-S147 PolarHBondContact O-N 3.49Å; S147-R149 PolarHBondContact O-N 3.49Å; S147-S151 VanDerWaalsContact O-CB 3.31Å; S147-S151 WeakPolarHBondContact O-CB 3.36Å; S147-S151 PolarHBondContact O-N 3.41Å; S147-S151 PolarHBondContact O-OG 2.71Å; S147-A164 WeakPolarHBondContact CB-O 3.33Å; S147-A164 WeakPolarHBondContact O-CB 3.2Å; S147-A164 PolarHBondContact OG-O 3.03Å; S147-A168 WeakPolarHBondContact OG-CB 3.3Å
148L98.2Very high97.6Very high96 Ų9650.5 Ų50.550%0.50328%0.278SS..Hα-helixtrans-62.8-42178.9-68.4173.2000111.7S144 W145 L146 S151 S152S144-L148 WeakPolarHBondContact O-CG 3.5Å; S144-L148 PolarHBondContact O-N 2.97Å; W145-L148 PolarHBondContact O-N 3.31Å; L146-L148 PolarHBondContact O-N 3.44Å; L148-S151 WeakPolarHBondContact O-CB 3.47Å; L148-S151 PolarHBondContact O-N 3.31Å; L148-S152 PolarHBondContact O-N 2.9Å; L148-S152 PolarHBondContact O-OG 3.03Å
149R98.4Very high97.6Very high82 Ų8250.2 Ų50.231%0.30928%0.277SS..Hα-helixtrans-70.8-38.7-178.5-66.5-62.7176.4-146.2-2.7113.7F128 W145 L146 S147 S151 G153F128-R149 HydrophobicContact CE1-CB 3.95Å; F128-R149 HydrophobicContact CZ-CB 3.68Å; F128-R149 HydrophobicContact CZ-CG 4.28Å; W145-R149 HydrophobicContact CD2-CG 3.7Å; W145-R149 HydrophobicContact CE3-CB 4.31Å; W145-R149 HydrophobicContact CE3-CG 3.6Å; W145-R149 HydrophobicContact CH2-CB 4.47Å; W145-R149 HydrophobicContact CH2-CG 3.61Å; W145-R149 HydrophobicContact CZ2-CG 3.69Å; W145-R149 HydrophobicContact CZ3-CB 4.14Å; W145-R149 HydrophobicContact CZ3-CG 3.56Å; W145-R149 VanDerWaalsContact O-CG 3.24Å; W145-R149 WeakPolarHBondContact O-CG 3.22Å; W145-R149 PolarHBondContact O-N 3.18Å; L146-R149 PolarHBondContact O-N 3.42Å; S147-R149 PolarHBondContact O-N 3.49Å; R149-S151 VanDerWaalsContact C-N 3.31Å; R149-G153 CarbonylContact O-C 3.59Å; R149-G153 WeakPolarHBondContact O-CA 3.48Å; R149-G153 PolarHBondContact O-N 3.47Å
150Y98.6Very high97.6Very high15 Ų1551.9 Ų51.96%0.05929%0.286CS..Hα-helixtrans-72.3-27.6171.8-77.6-61.6000111.9F128 E132 L146 V157 Q159 N160 K163 Y167F128-Y150 HydrophobicContact CD1-CE1 4.49Å; F128-Y150 HydrophobicContact CD1-CE2 4.02Å; F128-Y150 AromaticContact CD1-CZ 3.83Å; F128-Y150 HydrophobicContact CE1-CD2 4.45Å; F128-Y150 HydrophobicContact CE1-CE1 4.2Å; F128-Y150 HydrophobicContact CE1-CE2 4.05Å; F128-Y150 AromaticContact CE1-CZ 3.91Å; E132-Y150 PolarHBondContact OE1-OH 3.19Å; L146-Y150 HydrophobicContact CB-CD2 4.46Å; L146-Y150 HydrophobicContact CD2-CE2 4.13Å; L146-Y150 WeakPolarHBondContact O-CD2 3.25Å; L146-Y150 PolarHBondContact O-N 2.98Å; Y150-V157 HydrophobicContact CD1-CG1 4.11Å; Y150-V157 HydrophobicContact CE1-CG1 3.6Å; Y150-Q159 CarbonylContact O-C 3Å; Y150-Q159 WeakPolarHBondContact O-CA 3.46Å; Y150-Q159 WeakPolarHBondContact O-CG 3.47Å; Y150-N160 HydrophobicContact CD1-CB 4.03Å; Y150-N160 PolarHBondContact O-N 2.92Å; Y150-K163 HydrophobicContact CD1-CB 4.34Å; Y150-K163 HydrophobicContact CD1-CD 4.2Å; Y150-K163 HydrophobicContact CD2-CB 4.06Å; Y150-K163 HydrophobicContact CD2-CD 4.4Å; Y150-K163 HydrophobicContact CE1-CD 3.86Å; Y150-K163 HydrophobicContact CE2-CB 4.49Å; Y150-K163 HydrophobicContact CE2-CD 4.05Å; Y150-K163 HydrophobicContact CG-CB 3.97Å; Y150-K163 HydrophobicContact CG-CD 4.46Å; Y150-Y167 AromaticContact CD2-CD2 3.77Å; Y150-Y167 HydrophobicContact CD2-CD2 3.77Å; Y150-Y167 AromaticContact CD2-CE2 3.75Å; Y150-Y167 HydrophobicContact CD2-CE2 3.75Å; Y150-Y167 HydrophobicContact CE2-CD2 4.07Å; Y150-Y167 AromaticContact CE2-CE2 3.55Å; Y150-Y167 HydrophobicContact CE2-CE2 3.55Å
151S98Very high97.7Very high17 Ų1752.4 Ų52.412%0.11929%0.287CS..Hα-helixtrans-67-41.4174-61.80000112.3S147 L148 R149 Q159 A164S147-S151 VanDerWaalsContact O-CB 3.31Å; S147-S151 WeakPolarHBondContact O-CB 3.36Å; S147-S151 PolarHBondContact O-N 3.41Å; S147-S151 PolarHBondContact O-OG 2.71Å; L148-S151 WeakPolarHBondContact O-CB 3.47Å; L148-S151 PolarHBondContact O-N 3.31Å; R149-S151 VanDerWaalsContact C-N 3.31Å; S151-Q159 WeakPolarHBondContact O-CG 3.37Å; S151-Q159 PolarHBondContact O-NE2 3.37Å; S151-A164 VanDerWaalsContact OG-CB 3.31Å; S151-A164 WeakPolarHBondContact OG-CB 3.37Å
152S97.2Very high97.7Very high80 Ų8052 Ų5256%0.55929%0.285SS*.Hα-helixtrans-94.1-15-178.962.60000113.9L148L148-S152 PolarHBondContact O-N 2.9Å; L148-S152 PolarHBondContact O-OG 3.03Å
153G97.2Very high97.7Very high12 Ų1256 Ų5612%0.12430%0.302CS..  trans69.3170.6-154.500000111.7R149 V157R149-G153 CarbonylContact O-C 3.59Å; R149-G153 WeakPolarHBondContact O-CA 3.48Å; R149-G153 PolarHBondContact O-N 3.47Å; G153-V157 CarbonylContact C-O 3.22Å; G153-V157 WeakPolarHBondContact CA-O 3.46Å
154Y96.4Very high97.6Very high77 Ų7756 Ų5630%0.30230%0.302SS..BIsolated β-bridgetrans-146.9166.7172.3-166.9-100.1000109.3L114 V124 F128 G156 V157L114-Y154 HydrophobicContact CD2-CE1 3.85Å; V124-Y154 HydrophobicContact CG1-CD1 3.72Å; V124-Y154 HydrophobicContact CG1-CE1 4.03Å; V124-Y154 HydrophobicContact CG2-CD1 4.42Å; V124-Y154 HydrophobicContact CG2-CE1 4Å; F128-Y154 HydrophobicContact CE2-CD1 4.12Å; F128-Y154 HydrophobicContact CE2-CG 4.33Å; Y154-G156 PolarHBondContact O-N 2.94Å; Y154-V157 PolarHBondContact N-O 2.85Å; Y154-V157 CarbonylContact O-C 3.58Å; Y154-V157 PolarHBondContact O-N 3.43Å
155K93Very high97.6Very high132 Ų13255.8 Ų55.857%0.57430%0.299SS*.THydrogen-bonded Turntrans-51110.6179.5-178.8-174.3177.5-172.20111.1L121 V124 V157L121-K155 HydrophobicContact CD2-CG 4.18Å; V124-K155 WeakPolarHBondContact CG1-O 3.41Å; K155-V157 VanDerWaalsContact C-N 3.3Å; K155-V157 PolarHBondContact O-N 3.37Å
156G94.4Very high97.6Very high65 Ų6559.2 Ų59.267%0.6732%0.316SS*.THydrogen-bonded Turntrans79.90.7-17800000116.1Y154Y154-G156 PolarHBondContact O-N 2.94Å
157V96.7Very high97.6Very high17 Ų1760.8 Ų60.810%0.10332%0.322CS..BIsolated β-bridgetrans-121.7109.8175.4-177.20000108.5V124 F128 Y150 G153 Y154 K155V124-V157 HydrophobicContact CG1-CG2 3.87Å; F128-V157 HydrophobicContact CD1-CG1 4.37Å; F128-V157 HydrophobicContact CD2-CG2 4.09Å; F128-V157 HydrophobicContact CE1-CB 4.37Å; F128-V157 HydrophobicContact CE1-CG1 3.76Å; F128-V157 HydrophobicContact CE1-CG2 4.32Å; F128-V157 HydrophobicContact CE2-CB 4.33Å; F128-V157 HydrophobicContact CE2-CG2 3.77Å; F128-V157 HydrophobicContact CG-CG2 4.47Å; F128-V157 HydrophobicContact CZ-CB 3.96Å; F128-V157 HydrophobicContact CZ-CG1 3.86Å; F128-V157 HydrophobicContact CZ-CG2 3.87Å; Y150-V157 HydrophobicContact CD1-CG1 4.11Å; Y150-V157 HydrophobicContact CE1-CG1 3.6Å; G153-V157 CarbonylContact C-O 3.22Å; G153-V157 WeakPolarHBondContact CA-O 3.46Å; Y154-V157 PolarHBondContact N-O 2.85Å; Y154-V157 CarbonylContact O-C 3.58Å; Y154-V157 PolarHBondContact O-N 3.43Å; K155-V157 VanDerWaalsContact C-N 3.3Å; K155-V157 PolarHBondContact O-N 3.37Å
158S97.5Very high97.7Very high102 Ų10260.6 Ų60.671%0.71332%0.321SS*.  trans-63.1149.9179.7-58.20000112N160S158-N160 PolarHBondContact O-N 3.48Å
159Q98.1Very high97.7Very high118 Ų11858.3 Ų58.355%0.55131%0.308SS*.  trans-54.5137167.4-179.3-177.774.900109.9Y150 S151 L161Y150-Q159 CarbonylContact O-C 3Å; Y150-Q159 WeakPolarHBondContact O-CA 3.46Å; Y150-Q159 WeakPolarHBondContact O-CG 3.47Å; S151-Q159 WeakPolarHBondContact O-CG 3.37Å; S151-Q159 PolarHBondContact O-NE2 3.37Å; Q159-L161 HydrophobicContact CG-CD2 3.96Å; Q159-L161 HydrophobicContact CG-CG 4.29Å
160N98.4Very high97.7Very high60 Ų6058.3 Ų58.332%0.32131%0.308SS..  trans-14796174.9-174.2-41000108.9Y150 S158 E162 K163 A164Y150-N160 HydrophobicContact CD1-CB 4.03Å; Y150-N160 PolarHBondContact O-N 2.92Å; S158-N160 PolarHBondContact O-N 3.48Å; N160-E162 VanDerWaalsContact C-N 3.3Å; N160-E162 PolarHBondContact O-N 3.12Å; N160-E162 PolarHBondContact OD1-N 2.86Å; N160-K163 HydrophobicContact CB-CB 4.16Å; N160-K163 HydrophobicContact CB-CG 4.46Å; N160-K163 PolarHBondContact O-N 3.44Å; N160-K163 PolarHBondContact OD1-N 2.87Å; N160-A164 WeakPolarHBondContact O-CB 3.41Å; N160-A164 PolarHBondContact O-N 3.27Å
161L98.5Very high97.7Very high47 Ų4757.6 Ų57.625%0.24631%0.306CS..Hα-helixtrans-67.3-30-174.1-60179.3000112.8Q159 A164 F165 F186 E191Q159-L161 HydrophobicContact CG-CD2 3.96Å; Q159-L161 HydrophobicContact CG-CG 4.29Å; L161-A164 WeakPolarHBondContact O-CB 3.19Å; L161-A164 PolarHBondContact O-N 3Å; L161-F165 WeakPolarHBondContact O-CB 3.32Å; L161-F165 PolarHBondContact O-N 3.38Å; L161-F186 HydrophobicContact CD2-CE1 4.44Å; L161-E191 HydrophobicContact CD1-CB 4.09Å; L161-E191 HydrophobicContact CD1-CG 4.24Å
162E98.5Very high97.7Very high116 Ų11657.3 Ų57.354%0.54230%0.303SS..Hα-helixtrans-66.2-49.8175.8-175.9-178.1-179.300111.2N160 A164 F165 H166N160-E162 VanDerWaalsContact C-N 3.3Å; N160-E162 PolarHBondContact O-N 3.12Å; N160-E162 PolarHBondContact OD1-N 2.86Å; E162-A164 VanDerWaalsContact C-N 3.28Å; E162-A164 PolarHBondContact O-N 3.46Å; E162-F165 PolarHBondContact O-N 3.38Å; E162-H166 PolarHBondContact O-CD2 3.21Å; E162-H166 PolarHBondContact O-N 3.18Å
163K98.3Very high97.8Very high86 Ų8660.6 Ų60.637%0.37431%0.309SS..Hα-helixtrans-58.9-42.4172.1-79.1-168.2171.5-164.60111.3Y150 N160 F165 H166 Y167Y150-K163 HydrophobicContact CD1-CB 4.34Å; Y150-K163 HydrophobicContact CD1-CD 4.2Å; Y150-K163 HydrophobicContact CD2-CB 4.06Å; Y150-K163 HydrophobicContact CD2-CD 4.4Å; Y150-K163 HydrophobicContact CE1-CD 3.86Å; Y150-K163 HydrophobicContact CE2-CB 4.49Å; Y150-K163 HydrophobicContact CE2-CD 4.05Å; Y150-K163 HydrophobicContact CG-CB 3.97Å; Y150-K163 HydrophobicContact CG-CD 4.46Å; N160-K163 HydrophobicContact CB-CB 4.16Å; N160-K163 HydrophobicContact CB-CG 4.46Å; N160-K163 PolarHBondContact O-N 3.44Å; N160-K163 PolarHBondContact OD1-N 2.87Å; K163-F165 VanDerWaalsContact C-N 3.34Å; K163-F165 PolarHBondContact O-N 2.9Å; K163-H166 PolarHBondContact O-N 3.15Å; K163-Y167 HydrophobicContact CB-CD2 4.46Å; K163-Y167 HydrophobicContact CB-CE2 4.46Å; K163-Y167 WeakPolarHBondContact O-CD2 3.46Å; K163-Y167 PolarHBondContact O-N 2.92Å
164A98.7Very high97.7Very high0 Ų062.4 Ų62.40%031%0.313CS..Hα-helixtrans-61-43.5-18000000112.4S147 S151 N160 L161 E162 Y167 A168 F186S147-A164 WeakPolarHBondContact CB-O 3.33Å; S147-A164 WeakPolarHBondContact O-CB 3.2Å; S147-A164 PolarHBondContact OG-O 3.03Å; S151-A164 VanDerWaalsContact OG-CB 3.31Å; S151-A164 WeakPolarHBondContact OG-CB 3.37Å; N160-A164 WeakPolarHBondContact O-CB 3.41Å; N160-A164 PolarHBondContact O-N 3.27Å; L161-A164 WeakPolarHBondContact O-CB 3.19Å; L161-A164 PolarHBondContact O-N 3Å; E162-A164 VanDerWaalsContact C-N 3.28Å; E162-A164 PolarHBondContact O-N 3.46Å; A164-Y167 PolarHBondContact O-N 3.31Å; A164-A168 WeakPolarHBondContact O-CB 3.38Å; A164-A168 PolarHBondContact O-N 3.37Å; A164-F186 HydrophobicContact CB-CE1 4.49Å; A164-F186 HydrophobicContact CB-CE2 4.48Å; A164-F186 HydrophobicContact CB-CZ 3.74Å
165F98.7Very high97.7Very high15 Ų1560.4 Ų60.47%0.06632%0.316CS..Hα-helixtrans-60.7-48.7173.9170.6-104000111.4L161 E162 K163 Y167 A168 M169 V183 F186 Y187 V193L161-F165 WeakPolarHBondContact O-CB 3.32Å; L161-F165 PolarHBondContact O-N 3.38Å; E162-F165 PolarHBondContact O-N 3.38Å; K163-F165 VanDerWaalsContact C-N 3.34Å; K163-F165 PolarHBondContact O-N 2.9Å; F165-Y167 VanDerWaalsContact C-N 3.34Å; F165-Y167 PolarHBondContact O-N 2.86Å; F165-A168 WeakPolarHBondContact O-CB 3.49Å; F165-A168 PolarHBondContact O-N 3.5Å; F165-A168 VanDerWaalsContact O-N 3.12Å; F165-M169 HydrophobicContact CD1-CG 4.47Å; F165-M169 HydrophobicContact CD2-CG 4.34Å; F165-M169 HydrophobicContact CE1-CG 4Å; F165-M169 HydrophobicContact CE2-CG 3.89Å; F165-M169 HydrophobicContact CE2-SD 4.08Å; F165-M169 HydrophobicContact CZ-CG 3.68Å; F165-M169 HydrophobicContact CZ-SD 3.89Å; F165-M169 WeakPolarHBondContact O-CG 3.38Å; F165-M169 PolarHBondContact O-N 3.32Å; F165-V183 HydrophobicContact CE2-CG1 4.06Å; F165-F186 HydrophobicContact CB-CD1 4.48Å; F165-F186 HydrophobicContact CB-CD2 4.07Å; F165-F186 HydrophobicContact CB-CE2 4.27Å; F165-F186 HydrophobicContact CB-CG 4.18Å; F165-F186 HydrophobicContact CD2-CB 3.6Å; F165-F186 AromaticContact CD2-CD2 3.86Å; F165-F186 HydrophobicContact CD2-CD2 3.86Å; F165-F186 AromaticContact CD2-CG 3.9Å; F165-F186 HydrophobicContact CD2-CG 3.9Å; F165-F186 HydrophobicContact CE2-CB 4.25Å; F165-F186 HydrophobicContact CG-CD2 4.49Å; F165-Y187 HydrophobicContact CE2-CD2 4.17Å; F165-Y187 HydrophobicContact CE2-CE1 4.41Å; F165-Y187 AromaticContact CE2-CE2 3.72Å; F165-Y187 HydrophobicContact CE2-CE2 3.72Å; F165-Y187 AromaticContact CE2-CZ 3.89Å; F165-Y187 HydrophobicContact CZ-CE1 4.18Å; F165-Y187 AromaticContact CZ-CE2 3.84Å; F165-Y187 HydrophobicContact CZ-CE2 3.84Å; F165-Y187 AromaticContact CZ-CZ 3.59Å; F165-V193 HydrophobicContact CD1-CB 4.12Å; F165-V193 HydrophobicContact CD1-CG2 4.39Å; F165-V193 HydrophobicContact CD2-CB 4.23Å; F165-V193 HydrophobicContact CD2-CG1 3.91Å; F165-V193 HydrophobicContact CE1-CB 4.14Å; F165-V193 HydrophobicContact CE1-CG2 3.92Å; F165-V193 HydrophobicContact CE2-CB 4.24Å; F165-V193 HydrophobicContact CE2-CG1 3.93Å; F165-V193 HydrophobicContact CE2-CG2 4.29Å; F165-V193 HydrophobicContact CG-CB 4.17Å; F165-V193 HydrophobicContact CG-CG1 4.3Å; F165-V193 HydrophobicContact CZ-CB 4.21Å; F165-V193 HydrophobicContact CZ-CG1 4.36Å; F165-V193 HydrophobicContact CZ-CG2 3.88Å
166H98.6Very high97.9Very high102 Ų10255.1 Ų55.147%0.47229%0.293SS..Hα-helixtrans-59.4-42.4177.8-75.3-55.6000113E162 K163 M169 R170E162-H166 PolarHBondContact O-CD2 3.21Å; E162-H166 PolarHBondContact O-N 3.18Å; K163-H166 PolarHBondContact O-N 3.15Å; H166-M169 WeakPolarHBondContact O-CB 3.41Å; H166-M169 PolarHBondContact O-N 3.49Å; H166-R170 WeakPolarHBondContact O-CG 3.4Å; H166-R170 PolarHBondContact O-N 2.99Å
167Y98.8Very high98.1Very high33 Ų3352.2 Ų52.213%0.12926%0.263CS..Hα-helixtrans-70.8-32.4176.2-74.2-58.3000112.7E132 L146 Y150 K163 A164 F165 R170 A171E132-Y167 VanDerWaalsContact CG-OH 3.28Å; E132-Y167 WeakPolarHBondContact CG-OH 3.42Å; E132-Y167 PolarHBondContact OE1-OH 2.71Å; L146-Y167 HydrophobicContact CB-CD1 4.02Å; L146-Y167 HydrophobicContact CB-CD2 3.69Å; L146-Y167 HydrophobicContact CB-CE1 4.41Å; L146-Y167 HydrophobicContact CB-CE2 4.09Å; L146-Y167 HydrophobicContact CB-CG 3.66Å; L146-Y167 HydrophobicContact CD1-CD1 3.75Å; L146-Y167 HydrophobicContact CD1-CD2 4.45Å; L146-Y167 HydrophobicContact CD1-CE1 3.51Å; L146-Y167 HydrophobicContact CD1-CE2 4.24Å; L146-Y167 HydrophobicContact CD1-CG 4.23Å; Y150-Y167 AromaticContact CD2-CD2 3.77Å; Y150-Y167 HydrophobicContact CD2-CD2 3.77Å; Y150-Y167 AromaticContact CD2-CE2 3.75Å; Y150-Y167 HydrophobicContact CD2-CE2 3.75Å; Y150-Y167 HydrophobicContact CE2-CD2 4.07Å; Y150-Y167 AromaticContact CE2-CE2 3.55Å; Y150-Y167 HydrophobicContact CE2-CE2 3.55Å; K163-Y167 HydrophobicContact CB-CD2 4.46Å; K163-Y167 HydrophobicContact CB-CE2 4.46Å; K163-Y167 WeakPolarHBondContact O-CD2 3.46Å; K163-Y167 PolarHBondContact O-N 2.92Å; A164-Y167 PolarHBondContact O-N 3.31Å; F165-Y167 VanDerWaalsContact C-N 3.34Å; F165-Y167 PolarHBondContact O-N 2.86Å; Y167-R170 PolarHBondContact O-N 2.9Å; Y167-A171 WeakPolarHBondContact O-CB 3.43Å; Y167-A171 PolarHBondContact O-N 3.13Å
168A98.7Very high98.1Very high0 Ų054.6 Ų54.60%028%0.281CS..Hα-helixtrans-62.8-45.6173.100000110.9S147 A164 F165 R170 A171 C172 K182 V183 F186S147-A168 WeakPolarHBondContact OG-CB 3.3Å; A164-A168 WeakPolarHBondContact O-CB 3.38Å; A164-A168 PolarHBondContact O-N 3.37Å; F165-A168 WeakPolarHBondContact O-CB 3.49Å; F165-A168 PolarHBondContact O-N 3.5Å; F165-A168 VanDerWaalsContact O-N 3.12Å; A168-R170 VanDerWaalsContact C-N 3.32Å; A168-R170 PolarHBondContact O-N 3.12Å; A168-A171 PolarHBondContact O-N 2.86Å; A168-C172 WeakPolarHBondContact O-CB 3.46Å; A168-C172 PolarHBondContact O-N 3.42Å; A168-K182 HydrophobicContact CB-CG 4.48Å; A168-V183 HydrophobicContact CB-CG2 3.62Å; A168-F186 HydrophobicContact CB-CD2 4.26Å; A168-F186 HydrophobicContact CB-CE2 3.98Å
169M98.5Very high98.2Very high49 Ų4950 Ų5024%0.24125%0.248CC..Hα-helixtrans-56.4-45.2176.2-74.5-72.9-60.800111.8F165 H166 C172 H173 V183 Y203F165-M169 HydrophobicContact CD1-CG 4.47Å; F165-M169 HydrophobicContact CD2-CG 4.34Å; F165-M169 HydrophobicContact CE1-CG 4Å; F165-M169 HydrophobicContact CE2-CG 3.89Å; F165-M169 HydrophobicContact CE2-SD 4.08Å; F165-M169 HydrophobicContact CZ-CG 3.68Å; F165-M169 HydrophobicContact CZ-SD 3.89Å; F165-M169 WeakPolarHBondContact O-CG 3.38Å; F165-M169 PolarHBondContact O-N 3.32Å; H166-M169 WeakPolarHBondContact O-CB 3.41Å; H166-M169 PolarHBondContact O-N 3.49Å; M169-C172 PolarHBondContact O-N 3.33Å; M169-H173 WeakPolarHBondContact O-CB 3.4Å; M169-H173 PolarHBondContact O-N 2.89Å; M169-V183 HydrophobicContact CB-CG2 4.46Å; M169-V183 HydrophobicContact CG-CG1 4.37Å; M169-V183 HydrophobicContact CG-CG2 3.94Å; M169-V183 HydrophobicContact SD-CB 4.25Å; M169-V183 HydrophobicContact SD-CG1 3.36Å; M169-V183 WeakPolarHBondContact SD-CG1 3.5Å; M169-V183 HydrophobicContact SD-CG2 3.78Å; M169-Y203 HydrophobicContact CE-CE1 4.37Å; M169-Y203 WeakPolarHBondContact CE-OH 3.04Å; M169-Y203 HydrophobicContact SD-CE1 4.09Å; M169-Y203 HydrophobicContact SD-CE2 4.15Å
170R98.6Very high98.2Very high82 Ų8244.3 Ų44.331%0.30922%0.222SC..Hα-helixtrans-65.7-45.4176.5-66.2-172.975.5-179.14112.2C135 C143 H166 Y167 A168 C172 H173 Y174C135-R170 PolarHBondContact O-NH2 2.9Å; C135-R170 VanDerWaalsContact O-NH2 3.1Å; C143-R170 HydrophobicContact CB-CB 4.25Å; H166-R170 WeakPolarHBondContact O-CG 3.4Å; H166-R170 PolarHBondContact O-N 2.99Å; Y167-R170 PolarHBondContact O-N 2.9Å; A168-R170 VanDerWaalsContact C-N 3.32Å; A168-R170 PolarHBondContact O-N 3.12Å; R170-C172 VanDerWaalsContact C-N 3.32Å; R170-C172 PolarHBondContact O-N 3.08Å; R170-H173 WeakPolarHBondContact O-CB 3.03Å; R170-H173 PolarHBondContact O-N 2.73Å; R170-Y174 HydrophobicContact CB-CD2 4.39Å; R170-Y174 HydrophobicContact CB-CE2 4.1Å; R170-Y174 PolarHBondContact NH2-OH 2.95Å; R170-Y174 WeakPolarHBondContact O-CD2 3.3Å; R170-Y174 PolarHBondContact O-N 2.87Å
171A98.7Very high98.2Very high0 Ų044.9 Ų44.90%022%0.223CC..Hα-helixtrans-61.6-40.6177.800000112.3C143 Y167 A168 Y174 G175 I176 A179C143-A171 HydrophobicContact CB-CB 3.71Å; Y167-A171 WeakPolarHBondContact O-CB 3.43Å; Y167-A171 PolarHBondContact O-N 3.13Å; A168-A171 PolarHBondContact O-N 2.86Å; A171-Y174 CarbonylContact O-C 3.16Å; A171-Y174 PolarHBondContact O-N 3.17Å; A171-G175 PolarHBondContact O-N 3.26Å; A171-I176 HydrophobicContact CB-CB 4.37Å; A171-I176 HydrophobicContact CB-CG1 4.48Å; A171-I176 WeakPolarHBondContact O-CB 3.47Å; A171-I176 PolarHBondContact O-N 3.25Å; A171-A179 HydrophobicContact CB-CB 3.46Å; A171-A179 VanDerWaalsContact CB-CB 3.46Å
172C98.5Very high98.1Very high10 Ų1044.8 Ų44.87%0.06822%0.221CC..Hα-helixtrans-60.5-49.7173.3174.10000111A168 M169 R170 Y174 G175 A179 C180 V183A168-C172 WeakPolarHBondContact O-CB 3.46Å; A168-C172 PolarHBondContact O-N 3.42Å; M169-C172 PolarHBondContact O-N 3.33Å; R170-C172 VanDerWaalsContact C-N 3.32Å; R170-C172 PolarHBondContact O-N 3.08Å; C172-Y174 PolarHBondContact O-N 3.36Å; C172-G175 PolarHBondContact O-N 2.67Å; C172-A179 HydrophobicContact CB-CB 4.33Å; C172-C180 WeakPolarHBondContact CA-SG 3.49Å; C172-C180 HydrophobicContact CB-CB 3.92Å; C172-C180 WeakPolarHBondContact CB-SG 3.42Å; C172-C180 WeakPolarHBondContact SG-CA 3.23Å; C172-C180 WeakPolarHBondContact SG-CB 3.33Å; C172-C180 CovalentContact SG-SG 2.03Å; C172-C180 PolarHBondContact SG-SG 3.07Å; C172-V183 HydrophobicContact CB-CG2 4.35Å
173H98.1Very high98.2Very high149 Ų14939.3 Ų39.369%0.6920%0.195SC*.Hα-helixtrans-57.2-35.4176.5178.160.8000113M169 R170 G175M169-H173 WeakPolarHBondContact O-CB 3.4Å; M169-H173 PolarHBondContact O-N 2.89Å; R170-H173 WeakPolarHBondContact O-CB 3.03Å; R170-H173 PolarHBondContact O-N 2.73Å; H173-G175 VanDerWaalsContact C-N 3.29Å; H173-G175 PolarHBondContact O-N 3.17Å
174Y97Very high98.2Very high50 Ų5035.7 Ų35.720%0.19618%0.18CC..THydrogen-bonded Turntrans-89.619.7177.8-57.6-50.1000114.4E138 P140 R170 A171 C172E138-Y174 HydrophobicContact CB-CD1 4.19Å; E138-Y174 HydrophobicContact CB-CE1 3.73Å; E138-Y174 HydrophobicContact CB-CE2 4.26Å; E138-Y174 HydrophobicContact CG-CE1 3.86Å; P140-Y174 WeakPolarHBondContact CB-O 3.38Å; P140-Y174 VanDerWaalsContact CG-O 3.3Å; P140-Y174 WeakPolarHBondContact CG-O 3.13Å; R170-Y174 HydrophobicContact CB-CD2 4.39Å; R170-Y174 HydrophobicContact CB-CE2 4.1Å; R170-Y174 PolarHBondContact NH2-OH 2.95Å; R170-Y174 WeakPolarHBondContact O-CD2 3.3Å; R170-Y174 PolarHBondContact O-N 2.87Å; A171-Y174 CarbonylContact O-C 3.16Å; A171-Y174 PolarHBondContact O-N 3.17Å; C172-Y174 PolarHBondContact O-N 3.36Å
175G96.1Very high98.2Very high35 Ų3539.9 Ų39.936%0.36120%0.2SC..THydrogen-bonded Turntrans94.213.7167.200000115.9A171 C172 H173 A177 M210A171-G175 PolarHBondContact O-N 3.26Å; C172-G175 PolarHBondContact O-N 2.67Å; H173-G175 VanDerWaalsContact C-N 3.29Å; H173-G175 PolarHBondContact O-N 3.17Å; G175-A177 PolarHBondContact O-N 3.28Å; G175-M210 WeakPolarHBondContact O-CE 3.43Å
176I97.5Very high98.2Very high21 Ų2139.2 Ų39.211%0.10820%0.197CC..  trans-91.8100.7173.6-56.5-61.5000110.3P140 H141 A171 S178 A179 C180P140-I176 HydrophobicContact CB-CD1 3.79Å; P140-I176 HydrophobicContact CB-CG1 3.54Å; H141-I176 VanDerWaalsContact CE1-CD1 3.5Å; H141-I176 WeakPolarHBondContact CE1-CD1 3.41Å; A171-I176 HydrophobicContact CB-CB 4.37Å; A171-I176 HydrophobicContact CB-CG1 4.48Å; A171-I176 WeakPolarHBondContact O-CB 3.47Å; A171-I176 PolarHBondContact O-N 3.25Å; I176-S178 VanDerWaalsContact C-N 3.32Å; I176-S178 WeakPolarHBondContact CG2-OG 3.43Å; I176-S178 PolarHBondContact O-N 3.47Å; I176-A179 HydrophobicContact CB-CB 3.92Å; I176-A179 HydrophobicContact CG2-CB 3.83Å; I176-A179 WeakPolarHBondContact O-CA 3.32Å; I176-A179 VanDerWaalsContact O-CB 3.3Å; I176-A179 WeakPolarHBondContact O-CB 3.37Å; I176-A179 PolarHBondContact O-N 3.32Å; I176-C180 PolarHBondContact O-N 3.38Å
177A97.5Very high98.2Very high5 Ų535.8 Ų35.84%0.04118%0.18CC..Hα-helixtrans-55.7-43.7-178.500000112.9G175 A179 C180 E181 A207 M210 K211G175-A177 PolarHBondContact O-N 3.28Å; A177-A179 PolarHBondContact O-N 2.86Å; A177-C180 WeakPolarHBondContact O-CA 3.27Å; A177-C180 WeakPolarHBondContact O-CB 3.08Å; A177-C180 PolarHBondContact O-N 2.78Å; A177-E181 PolarHBondContact O-N 3.46Å; A177-E181 VanDerWaalsContact O-N 3.11Å; A177-A207 WeakPolarHBondContact O-CB 3.47Å; A177-M210 HydrophobicContact CB-CB 3.83Å; A177-M210 HydrophobicContact CB-CE 4.24Å; A177-M210 HydrophobicContact CB-SD 4.49Å; A177-K211 HydrophobicContact CB-CG 3.85Å
178S97.2Very high98.1Very high67 Ų6738.4 Ų38.447%0.46920%0.196SC..Hα-helixtrans-63.9-22.5177.160.30000113.8I176 K182I176-S178 VanDerWaalsContact C-N 3.32Å; I176-S178 WeakPolarHBondContact CG2-OG 3.43Å; I176-S178 PolarHBondContact O-N 3.47Å; S178-K182 PolarHBondContact O-N 2.84Å; S178-K182 VanDerWaalsContact O-N 3.17Å
179A98.3Very high98.1Very high4 Ų442.5 Ų42.53%0.03322%0.218CC..Hα-helixtrans-77-34.3172.500000111.5A171 C172 I176 A177 E181 K182 V183A171-A179 HydrophobicContact CB-CB 3.46Å; A171-A179 VanDerWaalsContact CB-CB 3.46Å; C172-A179 HydrophobicContact CB-CB 4.33Å; I176-A179 HydrophobicContact CB-CB 3.92Å; I176-A179 HydrophobicContact CG2-CB 3.83Å; I176-A179 WeakPolarHBondContact O-CA 3.32Å; I176-A179 VanDerWaalsContact O-CB 3.3Å; I176-A179 WeakPolarHBondContact O-CB 3.37Å; I176-A179 PolarHBondContact O-N 3.32Å; A177-A179 PolarHBondContact O-N 2.86Å; A179-E181 VanDerWaalsContact C-N 3.34Å; A179-K182 WeakPolarHBondContact O-CB 3.45Å; A179-K182 PolarHBondContact O-N 2.63Å; A179-K182 VanDerWaalsContact O-N 3.16Å; A179-V183 WeakPolarHBondContact O-CG2 3.46Å; A179-V183 PolarHBondContact O-N 3.22Å
180C98.6Very high98Very high0 Ų041.6 Ų41.60%022%0.221CC..Hα-helixtrans-63.6-39.9171.5-58.60000111.4C172 I176 A177 K182 V183 S184 I206 A207 M210C172-C180 WeakPolarHBondContact CA-SG 3.49Å; C172-C180 HydrophobicContact CB-CB 3.92Å; C172-C180 WeakPolarHBondContact CB-SG 3.42Å; C172-C180 WeakPolarHBondContact SG-CA 3.23Å; C172-C180 WeakPolarHBondContact SG-CB 3.33Å; C172-C180 CovalentContact SG-SG 2.03Å; C172-C180 PolarHBondContact SG-SG 3.07Å; I176-C180 PolarHBondContact O-N 3.38Å; A177-C180 WeakPolarHBondContact O-CA 3.27Å; A177-C180 WeakPolarHBondContact O-CB 3.08Å; A177-C180 PolarHBondContact O-N 2.78Å; C180-K182 VanDerWaalsContact C-N 3.27Å; C180-K182 PolarHBondContact O-N 2.88Å; C180-V183 WeakPolarHBondContact O-CB 3.41Å; C180-V183 PolarHBondContact O-N 3.22Å; C180-S184 PolarHBondContact O-N 2.94Å; C180-I206 HydrophobicContact CB-CG2 4.48Å; C180-A207 HydrophobicContact CB-CB 3.72Å; C180-M210 VanDerWaalsContact SG-SD 3.61Å
181E98.2Very high97.8Very high71 Ų7140.9 Ų40.933%0.33222%0.221SC..Hα-helixtrans-60-40.5171.3-59.6-176.6128.900111.5A177 A179 S184 Q185 A207 K211A177-E181 PolarHBondContact O-N 3.46Å; A177-E181 VanDerWaalsContact O-N 3.11Å; A179-E181 VanDerWaalsContact C-N 3.34Å; E181-S184 WeakPolarHBondContact O-CB 3.47Å; E181-S184 PolarHBondContact O-N 3.19Å; E181-Q185 WeakPolarHBondContact O-CG 3.48Å; E181-Q185 PolarHBondContact O-N 3.37Å; E181-A207 HydrophobicContact CG-CB 3.46Å; E181-A207 VanDerWaalsContact CG-CB 3.46Å; E181-K211 IonicContact OE1-NZ 3.5Å; E181-K211 PolarHBondContact OE1-NZ 2.74Å; E181-K211 IonicContact OE2-NZ 3.84Å; E181-K211 PolarHBondContact OE2-NZ 2.86Å
182K98.1Very high97.6Very high46 Ų4642.6 Ų42.620%0.224%0.239CC..Hα-helixtrans-66.3-39.5177.4-17064.5-173.1165.70112A168 S178 A179 C180 S184 Q185 F186A168-K182 HydrophobicContact CB-CG 4.48Å; S178-K182 PolarHBondContact O-N 2.84Å; S178-K182 VanDerWaalsContact O-N 3.17Å; A179-K182 WeakPolarHBondContact O-CB 3.45Å; A179-K182 PolarHBondContact O-N 2.63Å; A179-K182 VanDerWaalsContact O-N 3.16Å; C180-K182 VanDerWaalsContact C-N 3.27Å; C180-K182 PolarHBondContact O-N 2.88Å; K182-S184 VanDerWaalsContact C-N 3.34Å; K182-Q185 PolarHBondContact O-N 2.96Å; K182-F186 HydrophobicContact CD-CE2 4.27Å; K182-F186 HydrophobicContact CG-CD2 4.05Å; K182-F186 HydrophobicContact CG-CE2 3.61Å; K182-F186 HydrophobicContact CG-CZ 4.34Å; K182-F186 WeakPolarHBondContact O-CD2 3.26Å; K182-F186 PolarHBondContact O-N 3.28Å
183V98.7Very high97.6Very high0 Ų043.1 Ų43.10%024%0.242CC..Hα-helixtrans-59.4-45.5171.4171.20000110.8F165 A168 M169 C172 A179 C180 Q185 F186 Y187 Y203F165-V183 HydrophobicContact CE2-CG1 4.06Å; A168-V183 HydrophobicContact CB-CG2 3.62Å; M169-V183 HydrophobicContact CB-CG2 4.46Å; M169-V183 HydrophobicContact CG-CG1 4.37Å; M169-V183 HydrophobicContact CG-CG2 3.94Å; M169-V183 HydrophobicContact SD-CB 4.25Å; M169-V183 HydrophobicContact SD-CG1 3.36Å; M169-V183 WeakPolarHBondContact SD-CG1 3.5Å; M169-V183 HydrophobicContact SD-CG2 3.78Å; C172-V183 HydrophobicContact CB-CG2 4.35Å; A179-V183 WeakPolarHBondContact O-CG2 3.46Å; A179-V183 PolarHBondContact O-N 3.22Å; C180-V183 WeakPolarHBondContact O-CB 3.41Å; C180-V183 PolarHBondContact O-N 3.22Å; V183-Q185 VanDerWaalsContact C-N 3.33Å; V183-Q185 PolarHBondContact O-N 3.2Å; V183-F186 WeakPolarHBondContact O-CB 3.4Å; V183-F186 PolarHBondContact O-N 3.04Å; V183-Y187 HydrophobicContact CG1-CD2 3.8Å; V183-Y187 HydrophobicContact CG1-CE2 3.69Å; V183-Y187 WeakPolarHBondContact O-CD2 3.45Å; V183-Y187 PolarHBondContact O-N 3.04Å; V183-Y187 VanDerWaalsContact O-N 3.1Å; V183-Y203 HydrophobicContact CB-CD1 4.25Å; V183-Y203 HydrophobicContact CB-CG 4.11Å; V183-Y203 HydrophobicContact CG1-CD1 3.74Å; V183-Y203 HydrophobicContact CG1-CD2 3.38Å; V183-Y203 HydrophobicContact CG1-CE1 4.04Å; V183-Y203 HydrophobicContact CG1-CE2 3.72Å; V183-Y203 HydrophobicContact CG1-CG 3.42Å; V183-Y203 VanDerWaalsContact CG1-CG 3.42Å
184S98.6Very high97.6Very high10 Ų1041.1 Ų41.17%0.0724%0.242CC..Hα-helixtrans-56.3-47.9175.7177.90000111.4C180 E181 K182 F186 Y187 L188 A200C180-S184 PolarHBondContact O-N 2.94Å; E181-S184 WeakPolarHBondContact O-CB 3.47Å; E181-S184 PolarHBondContact O-N 3.19Å; K182-S184 VanDerWaalsContact C-N 3.34Å; S184-F186 PolarHBondContact O-N 3.31Å; S184-Y187 PolarHBondContact O-N 3.24Å; S184-L188 WeakPolarHBondContact O-CG 3.38Å; S184-L188 PolarHBondContact O-N 2.76Å; S184-A200 VanDerWaalsContact CB-O 3.27Å; S184-A200 WeakPolarHBondContact CB-O 3.28Å; S184-A200 PolarHBondContact OG-O 3.19Å
185Q98.4Very high97.7Very high89 Ų8945.9 Ų45.942%0.41626%0.264SS..Hα-helixtrans-60.3-41.7176.6-70171.713.100112.9E181 K182 V183 Y187 L188 N189E181-Q185 WeakPolarHBondContact O-CG 3.48Å; E181-Q185 PolarHBondContact O-N 3.37Å; K182-Q185 PolarHBondContact O-N 2.96Å; V183-Q185 VanDerWaalsContact C-N 3.33Å; V183-Q185 PolarHBondContact O-N 3.2Å; Q185-Y187 VanDerWaalsContact C-N 3.32Å; Q185-Y187 PolarHBondContact O-N 3.14Å; Q185-L188 PolarHBondContact O-N 3.39Å; Q185-N189 WeakPolarHBondContact O-CB 3.21Å; Q185-N189 PolarHBondContact O-N 2.77Å
186F98.7Very high97.8Very high0 Ų046.6 Ų46.60%026%0.259CS..Hα-helixtrans-58.1-45.2176.1-79.2-56.9000111.5L161 A164 F165 A168 K182 V183 S184 G190 E191 V193L161-F186 HydrophobicContact CD2-CE1 4.44Å; A164-F186 HydrophobicContact CB-CE1 4.49Å; A164-F186 HydrophobicContact CB-CE2 4.48Å; A164-F186 HydrophobicContact CB-CZ 3.74Å; F165-F186 HydrophobicContact CB-CD1 4.48Å; F165-F186 HydrophobicContact CB-CD2 4.07Å; F165-F186 HydrophobicContact CB-CE2 4.27Å; F165-F186 HydrophobicContact CB-CG 4.18Å; F165-F186 HydrophobicContact CD2-CB 3.6Å; F165-F186 AromaticContact CD2-CD2 3.86Å; F165-F186 HydrophobicContact CD2-CD2 3.86Å; F165-F186 AromaticContact CD2-CG 3.9Å; F165-F186 HydrophobicContact CD2-CG 3.9Å; F165-F186 HydrophobicContact CE2-CB 4.25Å; F165-F186 HydrophobicContact CG-CD2 4.49Å; A168-F186 HydrophobicContact CB-CD2 4.26Å; A168-F186 HydrophobicContact CB-CE2 3.98Å; K182-F186 HydrophobicContact CD-CE2 4.27Å; K182-F186 HydrophobicContact CG-CD2 4.05Å; K182-F186 HydrophobicContact CG-CE2 3.61Å; K182-F186 HydrophobicContact CG-CZ 4.34Å; K182-F186 WeakPolarHBondContact O-CD2 3.26Å; K182-F186 PolarHBondContact O-N 3.28Å; V183-F186 WeakPolarHBondContact O-CB 3.4Å; V183-F186 PolarHBondContact O-N 3.04Å; S184-F186 PolarHBondContact O-N 3.31Å; F186-G190 WeakPolarHBondContact O-CA 3.45Å; F186-G190 PolarHBondContact O-N 3.4Å; F186-E191 HydrophobicContact CD1-CB 3.68Å; F186-E191 WeakPolarHBondContact CD1-O 3.18Å; F186-E191 HydrophobicContact CE1-CB 4.17Å; F186-E191 PolarHBondContact O-N 3.26Å; F186-V193 HydrophobicContact CB-CG1 3.96Å
187Y98.7Very high97.8Very high30 Ų3050 Ų5012%0.11828%0.283CS..Hα-helixtrans-69.2-34.4176.3-79.3-59.6000114F165 V183 S184 Q185 V193 K195 D196 N199 Y203F165-Y187 HydrophobicContact CE2-CD2 4.17Å; F165-Y187 HydrophobicContact CE2-CE1 4.41Å; F165-Y187 AromaticContact CE2-CE2 3.72Å; F165-Y187 HydrophobicContact CE2-CE2 3.72Å; F165-Y187 AromaticContact CE2-CZ 3.89Å; F165-Y187 HydrophobicContact CZ-CE1 4.18Å; F165-Y187 AromaticContact CZ-CE2 3.84Å; F165-Y187 HydrophobicContact CZ-CE2 3.84Å; F165-Y187 AromaticContact CZ-CZ 3.59Å; V183-Y187 HydrophobicContact CG1-CD2 3.8Å; V183-Y187 HydrophobicContact CG1-CE2 3.69Å; V183-Y187 WeakPolarHBondContact O-CD2 3.45Å; V183-Y187 PolarHBondContact O-N 3.04Å; V183-Y187 VanDerWaalsContact O-N 3.1Å; S184-Y187 PolarHBondContact O-N 3.24Å; Q185-Y187 VanDerWaalsContact C-N 3.32Å; Q185-Y187 PolarHBondContact O-N 3.14Å; Y187-V193 HydrophobicContact CD1-CG1 3.96Å; Y187-V193 HydrophobicContact CD1-CG2 4Å; Y187-V193 HydrophobicContact CE1-CG1 4.31Å; Y187-V193 HydrophobicContact CE1-CG2 3.58Å; Y187-V193 HydrophobicContact CG-CG1 4.45Å; Y187-K195 CarbonylContact O-C 3.59Å; Y187-K195 VanDerWaalsContact O-CA 3.25Å; Y187-K195 WeakPolarHBondContact O-CA 3.12Å; Y187-D196 HydrophobicContact CD1-CB 3.62Å; Y187-D196 HydrophobicContact CE1-CB 4.13Å; Y187-D196 HydrophobicContact CG-CB 4.34Å; Y187-D196 PolarHBondContact O-N 2.9Å; Y187-N199 HydrophobicContact CD1-CB 4.12Å; Y187-N199 HydrophobicContact CD2-CB 3.76Å; Y187-N199 HydrophobicContact CE1-CB 4.06Å; Y187-N199 HydrophobicContact CE2-CB 3.73Å; Y187-N199 HydrophobicContact CG-CB 3.95Å; Y187-Y203 AromaticContact CD2-CD2 3.97Å; Y187-Y203 HydrophobicContact CD2-CD2 3.97Å; Y187-Y203 HydrophobicContact CD2-CE2 4.28Å; Y187-Y203 AromaticContact CE2-CD2 3.77Å; Y187-Y203 HydrophobicContact CE2-CD2 3.77Å; Y187-Y203 AromaticContact CE2-CE2 3.6Å; Y187-Y203 HydrophobicContact CE2-CE2 3.6Å
188L98.3Very high97.9Very high89 Ų8955.9 Ų55.947%0.46631%0.313SS..Hα-helixtrans-66.7-45.3175.5-71.8174.3000111.6S184 Q185 K195 A200S184-L188 WeakPolarHBondContact O-CG 3.38Å; S184-L188 PolarHBondContact O-N 2.76Å; Q185-L188 PolarHBondContact O-N 3.39Å; L188-K195 WeakPolarHBondContact O-CE 3.48Å; L188-A200 HydrophobicContact CB-CB 4.44Å; L188-A200 HydrophobicContact CD1-CB 4.44Å; L188-A200 HydrophobicContact CD2-CB 3.36Å; L188-A200 HydrophobicContact CG-CB 3.44Å; L188-A200 VanDerWaalsContact CG-CB 3.44Å
189N97.8Very high97.9Very high86 Ų8654.5 Ų54.546%0.4630%0.3SS..Hα-helixtrans-85.9-23.2-172.2-66.6-7.2000112.6Q185 E191 K195Q185-N189 WeakPolarHBondContact O-CB 3.21Å; Q185-N189 PolarHBondContact O-N 2.77Å; N189-E191 HydrophobicContact CB-CB 4.43Å; N189-E191 HydrophobicContact CB-CG 3.86Å; N189-E191 WeakPolarHBondContact CB-OE1 3.39Å; N189-E191 PolarHBondContact ND2-OE1 3.43Å; N189-K195 VanDerWaalsContact C-CE 3.49Å; N189-K195 WeakPolarHBondContact O-CE 3.44Å
190G97.3Very high98Very high30 Ų3054.3 Ų54.331%0.30930%0.299SS..THydrogen-bonded Turntrans75.432.4-172.600000112.3F186 V193F186-G190 WeakPolarHBondContact O-CA 3.45Å; F186-G190 PolarHBondContact O-N 3.4Å; G190-V193 CarbonylContact C-O 3.57Å; G190-V193 WeakPolarHBondContact CA-O 3.19Å
191E94.3Very high98Very high66 Ų6660.5 Ų60.531%0.30833%0.328SS..SBendtrans-90108.1-176.2-82.1171.1-150.200109.8L161 F186 N189 V193L161-E191 HydrophobicContact CD1-CB 4.09Å; L161-E191 HydrophobicContact CD1-CG 4.24Å; F186-E191 HydrophobicContact CD1-CB 3.68Å; F186-E191 WeakPolarHBondContact CD1-O 3.18Å; F186-E191 HydrophobicContact CE1-CB 4.17Å; F186-E191 PolarHBondContact O-N 3.26Å; N189-E191 HydrophobicContact CB-CB 4.43Å; N189-E191 HydrophobicContact CB-CG 3.86Å; N189-E191 WeakPolarHBondContact CB-OE1 3.39Å; N189-E191 PolarHBondContact ND2-OE1 3.43Å; E191-V193 PolarHBondContact O-N 3.06Å
192G94Very high98Very high36 Ų3662.3 Ų62.337%0.37133%0.334SS..SBendtrans70.2-3.7-178.600000115.3
193V98.3Very high98Very high22 Ų2261.6 Ų61.613%0.13333%0.331CS..SBendtrans-145.7149.1175.565.50000108.2F165 F186 Y187 G190 E191F165-V193 HydrophobicContact CD1-CB 4.12Å; F165-V193 HydrophobicContact CD1-CG2 4.39Å; F165-V193 HydrophobicContact CD2-CB 4.23Å; F165-V193 HydrophobicContact CD2-CG1 3.91Å; F165-V193 HydrophobicContact CE1-CB 4.14Å; F165-V193 HydrophobicContact CE1-CG2 3.92Å; F165-V193 HydrophobicContact CE2-CB 4.24Å; F165-V193 HydrophobicContact CE2-CG1 3.93Å; F165-V193 HydrophobicContact CE2-CG2 4.29Å; F165-V193 HydrophobicContact CG-CB 4.17Å; F165-V193 HydrophobicContact CG-CG1 4.3Å; F165-V193 HydrophobicContact CZ-CB 4.21Å; F165-V193 HydrophobicContact CZ-CG1 4.36Å; F165-V193 HydrophobicContact CZ-CG2 3.88Å; F186-V193 HydrophobicContact CB-CG1 3.96Å; Y187-V193 HydrophobicContact CD1-CG1 3.96Å; Y187-V193 HydrophobicContact CD1-CG2 4Å; Y187-V193 HydrophobicContact CE1-CG1 4.31Å; Y187-V193 HydrophobicContact CE1-CG2 3.58Å; Y187-V193 HydrophobicContact CG-CG1 4.45Å; G190-V193 CarbonylContact C-O 3.57Å; G190-V193 WeakPolarHBondContact CA-O 3.19Å; E191-V193 PolarHBondContact O-N 3.06Å
194P98.3Very high98Very high107 Ų10763.5 Ų63.570%0.69535%0.346SS*.  trans-58149.8173.7-26.336000112.6D196P194-D196 PolarHBondContact O-N 3.41Å
195K98.5Very high98Very high149 Ų14967 Ų6765%0.64836%0.362SS*.  trans-59.7130.6174.1-74.2-172175.8-176.80110.4Y187 L188 N189Y187-K195 CarbonylContact O-C 3.59Å; Y187-K195 VanDerWaalsContact O-CA 3.25Å; Y187-K195 WeakPolarHBondContact O-CA 3.12Å; L188-K195 WeakPolarHBondContact O-CE 3.48Å; N189-K195 VanDerWaalsContact C-CE 3.49Å; N189-K195 WeakPolarHBondContact O-CE 3.44Å
196D98.7Very high98Very high51 Ų5165.2 Ų65.227%0.27335%0.354SS..  trans-148.287.9177.1-172.1-23.2000109.5Y187 P194 L198 N199 A200Y187-D196 HydrophobicContact CD1-CB 3.62Å; Y187-D196 HydrophobicContact CE1-CB 4.13Å; Y187-D196 HydrophobicContact CG-CB 4.34Å; Y187-D196 PolarHBondContact O-N 2.9Å; P194-D196 PolarHBondContact O-N 3.41Å; D196-L198 PolarHBondContact O-N 3.46Å; D196-L198 VanDerWaalsContact O-N 3.14Å; D196-L198 WeakPolarHBondContact OD1-CB 3.19Å; D196-L198 PolarHBondContact OD1-N 2.92Å; D196-L198 VanDerWaalsContact OD1-N 3.14Å; D196-N199 HydrophobicContact CB-CB 4.19Å; D196-N199 PolarHBondContact O-N 3.02Å; D196-N199 PolarHBondContact OD1-N 3.45Å; D196-N199 PolarHBondContact OD2-ND2 2.99Å; D196-A200 WeakPolarHBondContact O-CB 3.3Å; D196-A200 PolarHBondContact O-N 2.99Å
197P98.2Very high98Very high93 Ų9365.2 Ų65.260%0.60436%0.355SS*.Hα-helixtrans-57.9-26.6-179.3-26.435.7000114Q201P197-Q201 PolarHBondContact O-N 3.29Å
198L98.5Very high97.9Very high127 Ų12768.9 Ų68.967%0.66537%0.371SS*.Hα-helixtrans-74.3-48.4-179.5-171.2152000110.4D196 A200 Q201 K202D196-L198 PolarHBondContact O-N 3.46Å; D196-L198 VanDerWaalsContact O-N 3.14Å; D196-L198 WeakPolarHBondContact OD1-CB 3.19Å; D196-L198 PolarHBondContact OD1-N 2.92Å; D196-L198 VanDerWaalsContact OD1-N 3.14Å; L198-A200 VanDerWaalsContact C-N 3.3Å; L198-A200 PolarHBondContact O-N 3.23Å; L198-Q201 PolarHBondContact O-N 3.3Å; L198-K202 WeakPolarHBondContact O-CB 3.23Å; L198-K202 PolarHBondContact O-N 3.13Å
199N98.4Very high97.9Very high38 Ų3869.9 Ų69.920%0.20337%0.374CS..Hα-helixtrans-64.8-36.9172.6-86.3-52.7000111.5Y187 D196 Q201 K202 Y203Y187-N199 HydrophobicContact CD1-CB 4.12Å; Y187-N199 HydrophobicContact CD2-CB 3.76Å; Y187-N199 HydrophobicContact CE1-CB 4.06Å; Y187-N199 HydrophobicContact CE2-CB 3.73Å; Y187-N199 HydrophobicContact CG-CB 3.95Å; D196-N199 HydrophobicContact CB-CB 4.19Å; D196-N199 PolarHBondContact O-N 3.02Å; D196-N199 PolarHBondContact OD1-N 3.45Å; D196-N199 PolarHBondContact OD2-ND2 2.99Å; N199-Q201 PolarHBondContact O-N 2.92Å; N199-K202 WeakPolarHBondContact O-CB 3.04Å; N199-K202 PolarHBondContact O-N 3.49Å; N199-Y203 HydrophobicContact CB-CD2 4.47Å; N199-Y203 HydrophobicContact CB-CE2 4.48Å; N199-Y203 WeakPolarHBondContact O-CD2 3.07Å; N199-Y203 PolarHBondContact O-N 3.35Å
200A98.6Very high97.8Very high1 Ų167.5 Ų67.51%0.00836%0.36CS..Hα-helixtrans-55.1-51.5172.900000112.7S184 L188 D196 L198 K202 Y203 A204S184-A200 VanDerWaalsContact CB-O 3.27Å; S184-A200 WeakPolarHBondContact CB-O 3.28Å; S184-A200 PolarHBondContact OG-O 3.19Å; L188-A200 HydrophobicContact CB-CB 4.44Å; L188-A200 HydrophobicContact CD1-CB 4.44Å; L188-A200 HydrophobicContact CD2-CB 3.36Å; L188-A200 HydrophobicContact CG-CB 3.44Å; L188-A200 VanDerWaalsContact CG-CB 3.44Å; D196-A200 WeakPolarHBondContact O-CB 3.3Å; D196-A200 PolarHBondContact O-N 2.99Å; L198-A200 VanDerWaalsContact C-N 3.3Å; L198-A200 PolarHBondContact O-N 3.23Å; A200-K202 VanDerWaalsContact C-N 3.35Å; A200-K202 PolarHBondContact O-N 3.45Å; A200-Y203 PolarHBondContact O-N 2.9Å; A200-A204 PolarHBondContact O-N 3.48Å
201Q98.7Very high97.7Very high129 Ų12969.5 Ų69.560%0.60336%0.36SS*.Hα-helixtrans-60.9-45.5177.3-174.4177.514.700111P197 L198 N199 Y203 A204 E205P197-Q201 PolarHBondContact O-N 3.29Å; L198-Q201 PolarHBondContact O-N 3.3Å; N199-Q201 PolarHBondContact O-N 2.92Å; Q201-Y203 PolarHBondContact O-N 2.98Å; Q201-A204 WeakPolarHBondContact O-CB 3.45Å; Q201-A204 PolarHBondContact O-N 3Å; Q201-A204 VanDerWaalsContact O-N 3.13Å; Q201-E205 PolarHBondContact O-N 3.42Å
202K98.7Very high97.7Very high109 Ų10971.1 Ų71.147%0.47437%0.368SS..Hα-helixtrans-53.6-49.6177.5178.4-175.2173.5-175.90112.4L198 N199 A200 A204 E205 I206L198-K202 WeakPolarHBondContact O-CB 3.23Å; L198-K202 PolarHBondContact O-N 3.13Å; N199-K202 WeakPolarHBondContact O-CB 3.04Å; N199-K202 PolarHBondContact O-N 3.49Å; A200-K202 VanDerWaalsContact C-N 3.35Å; A200-K202 PolarHBondContact O-N 3.45Å; K202-A204 VanDerWaalsContact C-N 3.33Å; K202-E205 PolarHBondContact O-N 3.37Å; K202-I206 HydrophobicContact CG-CD1 4.09Å; K202-I206 WeakPolarHBondContact O-CG1 3.34Å; K202-I206 PolarHBondContact O-N 3.3Å
203Y98.7Very high97.6Very high31 Ų3174.3 Ų74.312%0.12238%0.377CS..Hα-helixtrans-73-25.2-179.2-76.7-75000113.3M169 V183 Y187 N199 A200 Q201 I206 A207M169-Y203 HydrophobicContact CE-CE1 4.37Å; M169-Y203 WeakPolarHBondContact CE-OH 3.04Å; M169-Y203 HydrophobicContact SD-CE1 4.09Å; M169-Y203 HydrophobicContact SD-CE2 4.15Å; V183-Y203 HydrophobicContact CB-CD1 4.25Å; V183-Y203 HydrophobicContact CB-CG 4.11Å; V183-Y203 HydrophobicContact CG1-CD1 3.74Å; V183-Y203 HydrophobicContact CG1-CD2 3.38Å; V183-Y203 HydrophobicContact CG1-CE1 4.04Å; V183-Y203 HydrophobicContact CG1-CE2 3.72Å; V183-Y203 HydrophobicContact CG1-CG 3.42Å; V183-Y203 VanDerWaalsContact CG1-CG 3.42Å; Y187-Y203 AromaticContact CD2-CD2 3.97Å; Y187-Y203 HydrophobicContact CD2-CD2 3.97Å; Y187-Y203 HydrophobicContact CD2-CE2 4.28Å; Y187-Y203 AromaticContact CE2-CD2 3.77Å; Y187-Y203 HydrophobicContact CE2-CD2 3.77Å; Y187-Y203 AromaticContact CE2-CE2 3.6Å; Y187-Y203 HydrophobicContact CE2-CE2 3.6Å; N199-Y203 HydrophobicContact CB-CD2 4.47Å; N199-Y203 HydrophobicContact CB-CE2 4.48Å; N199-Y203 WeakPolarHBondContact O-CD2 3.07Å; N199-Y203 PolarHBondContact O-N 3.35Å; A200-Y203 PolarHBondContact O-N 2.9Å; Q201-Y203 PolarHBondContact O-N 2.98Å; Y203-I206 HydrophobicContact CD1-CD1 4.15Å; Y203-I206 HydrophobicContact CE1-CD1 4.36Å; Y203-A207 WeakPolarHBondContact O-CB 3.23Å; Y203-A207 PolarHBondContact O-N 3.13Å
204A98.6Very high97.1Very high40 Ų4078.8 Ų78.833%0.33140%0.396SS..Hα-helixtrans-67.5-42.4170.700000111.6A200 Q201 K202 A207 K208A200-A204 PolarHBondContact O-N 3.48Å; Q201-A204 WeakPolarHBondContact O-CB 3.45Å; Q201-A204 PolarHBondContact O-N 3Å; Q201-A204 VanDerWaalsContact O-N 3.13Å; K202-A204 VanDerWaalsContact C-N 3.33Å; A204-A207 PolarHBondContact O-N 3.31Å; A204-K208 PolarHBondContact O-N 2.9Å
205E98.5Very high96.6Very high84 Ų8480.1 Ų80.139%0.39339%0.393SS..Hα-helixtrans-66.4-44.2175.9-63.1-56.8162.300111.6Q201 K202 A207 K208 E209Q201-E205 PolarHBondContact O-N 3.42Å; K202-E205 PolarHBondContact O-N 3.37Å; E205-A207 VanDerWaalsContact C-N 3.27Å; E205-A207 PolarHBondContact O-N 2.88Å; E205-K208 WeakPolarHBondContact O-CB 3.39Å; E205-K208 PolarHBondContact O-N 3.05Å; E205-E209 WeakPolarHBondContact O-CG 3.22Å; E205-E209 PolarHBondContact O-N 2.83Å
206I98.4Very high95.9Very high51 Ų5175.7 Ų75.726%0.26238%0.38SS..Hα-helixtrans-55.6-44.7173.8-68.6167.3000110.8C180 K202 Y203 K208 E209 M210C180-I206 HydrophobicContact CB-CG2 4.48Å; K202-I206 HydrophobicContact CG-CD1 4.09Å; K202-I206 WeakPolarHBondContact O-CG1 3.34Å; K202-I206 PolarHBondContact O-N 3.3Å; Y203-I206 HydrophobicContact CD1-CD1 4.15Å; Y203-I206 HydrophobicContact CE1-CD1 4.36Å; I206-K208 VanDerWaalsContact C-N 3.29Å; I206-K208 PolarHBondContact O-N 3.49Å; I206-E209 PolarHBondContact O-N 3.29Å; I206-M210 HydrophobicContact CG2-CG 4.42Å; I206-M210 HydrophobicContact CG2-SD 3.72Å; I206-M210 WeakPolarHBondContact O-CG 3.38Å; I206-M210 PolarHBondContact O-N 3.47Å
207A98Very high95Very high1 Ų177 Ų771%0.00839%0.393CS..Hα-helixtrans-62.3-37.8178.400000112.7A177 C180 E181 Y203 A204 E205 K211A177-A207 WeakPolarHBondContact O-CB 3.47Å; C180-A207 HydrophobicContact CB-CB 3.72Å; E181-A207 HydrophobicContact CG-CB 3.46Å; E181-A207 VanDerWaalsContact CG-CB 3.46Å; Y203-A207 WeakPolarHBondContact O-CB 3.23Å; Y203-A207 PolarHBondContact O-N 3.13Å; A204-A207 PolarHBondContact O-N 3.31Å; E205-A207 VanDerWaalsContact C-N 3.27Å; E205-A207 PolarHBondContact O-N 2.88Å; A207-K211 WeakPolarHBondContact O-CG 3.45Å; A207-K211 PolarHBondContact O-N 2.97Å
208K97.9Very high93.8Very high107 Ų10774.9 Ų74.947%0.46538%0.383SS..Hα-helixtrans-68.4-48.8178.6-179-175.6164.5-166.10111A204 E205 I206 M210 K211 E212A204-K208 PolarHBondContact O-N 2.9Å; E205-K208 WeakPolarHBondContact O-CB 3.39Å; E205-K208 PolarHBondContact O-N 3.05Å; I206-K208 VanDerWaalsContact C-N 3.29Å; I206-K208 PolarHBondContact O-N 3.49Å; K208-M210 VanDerWaalsContact C-N 3.29Å; K208-M210 PolarHBondContact O-N 3.39Å; K208-K211 PolarHBondContact O-N 2.99Å; K208-K211 VanDerWaalsContact O-N 3.08Å; K208-E212 WeakPolarHBondContact CE-OE1 3.39Å; K208-E212 IonicContact NZ-OE1 3.51Å; K208-E212 WeakPolarHBondContact O-CG 3.36Å; K208-E212 PolarHBondContact O-N 2.05Å
209E97.3Very high92.5Very high110 Ų11073.1 Ų73.151%0.51438%0.378SS..Hα-helixtrans-54.8-46.7176.2-70.9172.3178.800110.9E205 I206 K211 E212 D213E205-E209 WeakPolarHBondContact O-CG 3.22Å; E205-E209 PolarHBondContact O-N 2.83Å; I206-E209 PolarHBondContact O-N 3.29Å; E209-K211 VanDerWaalsContact C-N 3.31Å; E209-K211 PolarHBondContact O-N 3.48Å; E209-E212 PolarHBondContact O-N 3.4Å; E209-D213 PolarHBondContact O-N 2.82Å
210M96.5Very high90.8Very high36 Ų3678.7 Ų78.718%0.17740%0.4CS..Hα-helixtrans-61.7-36.8177.9-67.6169.169.700113.2G175 A177 C180 I206 K208 E214G175-M210 WeakPolarHBondContact O-CE 3.43Å; A177-M210 HydrophobicContact CB-CB 3.83Å; A177-M210 HydrophobicContact CB-CE 4.24Å; A177-M210 HydrophobicContact CB-SD 4.49Å; C180-M210 VanDerWaalsContact SG-SD 3.61Å; I206-M210 HydrophobicContact CG2-CG 4.42Å; I206-M210 HydrophobicContact CG2-SD 3.72Å; I206-M210 WeakPolarHBondContact O-CG 3.38Å; I206-M210 PolarHBondContact O-N 3.47Å; K208-M210 VanDerWaalsContact C-N 3.29Å; K208-M210 PolarHBondContact O-N 3.39Å; M210-E214 WeakPolarHBondContact O-CG 3.36Å; M210-E214 PolarHBondContact O-N 2.89Å
211K95.1Very high88.7Confident71 Ų7185.2 Ų85.231%0.30944%0.435SS..Hα-helixtrans-70.9-40.9176.8-74174.6-179.7-173.60111.8A177 E181 A207 K208 E209 D213 E214 E215A177-K211 HydrophobicContact CB-CG 3.85Å; E181-K211 IonicContact OE1-NZ 3.5Å; E181-K211 PolarHBondContact OE1-NZ 2.74Å; E181-K211 IonicContact OE2-NZ 3.84Å; E181-K211 PolarHBondContact OE2-NZ 2.86Å; A207-K211 WeakPolarHBondContact O-CG 3.45Å; A207-K211 PolarHBondContact O-N 2.97Å; K208-K211 PolarHBondContact O-N 2.99Å; K208-K211 VanDerWaalsContact O-N 3.08Å; E209-K211 VanDerWaalsContact C-N 3.31Å; E209-K211 PolarHBondContact O-N 3.48Å; K211-D213 VanDerWaalsContact C-N 3.3Å; K211-D213 PolarHBondContact O-N 3.33Å; K211-E214 PolarHBondContact O-N 3.5Å; K211-E215 WeakPolarHBondContact O-CG 3.04Å; K211-E215 PolarHBondContact O-N 2.04Å
212E94.7Very high86.9Confident101 Ų10185.9 Ų85.947%0.47244%0.441SS..Hα-helixtrans-62.4-40.3175.5-70.4176.2171.500110.8K208 E209 E215 S216K208-E212 WeakPolarHBondContact CE-OE1 3.39Å; K208-E212 IonicContact NZ-OE1 3.51Å; K208-E212 WeakPolarHBondContact O-CG 3.36Å; K208-E212 PolarHBondContact O-N 2.05Å; E209-E212 PolarHBondContact O-N 3.4Å; E212-E215 PolarHBondContact O-N 2.9Å; E212-S216 WeakPolarHBondContact O-CB 3.35Å; E212-S216 PolarHBondContact O-N 3.48Å
213D91.2Very high84.9Confident103 Ų10385.8 Ų85.855%0.55145%0.45SS*.Hα-helixtrans-63.8-45.6174.4-73.9-16.3000112.1E209 K211 E215 S216 C217E209-D213 PolarHBondContact O-N 2.82Å; K211-D213 VanDerWaalsContact C-N 3.3Å; K211-D213 PolarHBondContact O-N 3.33Å; D213-E215 PolarHBondContact O-N 2.94Å; D213-S216 PolarHBondContact O-N 3.5Å; D213-S216 PolarHBondContact O-OG 3.48Å; D213-C217 PolarHBondContact O-N 3.13Å; D213-C217 PolarHBondContact O-SG 3.01Å
214E88Confident82.2Confident115 Ų11590.3 Ų90.354%0.53751%0.506SS..Hα-helixtrans-59.3-45.1175.9-78.5177.3-169.900111.8M210 K211 C217 A218M210-E214 WeakPolarHBondContact O-CG 3.36Å; M210-E214 PolarHBondContact O-N 2.89Å; K211-E214 PolarHBondContact O-N 3.5Å; E214-C217 PolarHBondContact O-N 3Å; E214-A218 PolarHBondContact O-N 3.01Å; E214-A218 VanDerWaalsContact O-N 3.17Å
215E86.9Confident81.4Confident136 Ų13692.9 Ų92.964%0.63652%0.515SS*.Hα-helixtrans-65.6-41.3177.4-74.1178.9-174.500111.8K211 E212 D213 C217 A218 V219K211-E215 WeakPolarHBondContact O-CG 3.04Å; K211-E215 PolarHBondContact O-N 2.04Å; E212-E215 PolarHBondContact O-N 2.9Å; D213-E215 PolarHBondContact O-N 2.94Å; E215-C217 PolarHBondContact O-N 3.26Å; E215-A218 PolarHBondContact O-N 3.22Å; E215-V219 WeakPolarHBondContact O-CG2 3.43Å; E215-V219 PolarHBondContact O-N 3.41Å; E215-V219 VanDerWaalsContact O-N 3.11Å
216S85.6Confident80.5Confident55 Ų5593.3 Ų93.339%0.38552%0.521SS..Hα-helixtrans-61.8-43.4178.478.80000111.8E212 D213 A218 V219 F220E212-S216 WeakPolarHBondContact O-CB 3.35Å; E212-S216 PolarHBondContact O-N 3.48Å; D213-S216 PolarHBondContact O-N 3.5Å; D213-S216 PolarHBondContact O-OG 3.48Å; S216-A218 VanDerWaalsContact C-N 3.34Å; S216-A218 PolarHBondContact O-N 3.27Å; S216-V219 PolarHBondContact O-N 3.12Å; S216-F220 VanDerWaalsContact O-CD2 3.32Å; S216-F220 WeakPolarHBondContact O-CD2 3.3Å; S216-F220 PolarHBondContact O-N 2.88Å
217C78.8Confident79.5Confident78 Ų7895.7 Ų95.753%0.52754%0.536SS..Hα-helixtrans-61.5-42.9176.4-67.50000111.5D213 E214 E215 V219 F220 D221D213-C217 PolarHBondContact O-N 3.13Å; D213-C217 PolarHBondContact O-SG 3.01Å; E214-C217 PolarHBondContact O-N 3Å; E215-C217 PolarHBondContact O-N 3.26Å; C217-V219 VanDerWaalsContact C-N 3.29Å; C217-V219 PolarHBondContact O-N 3.06Å; C217-F220 PolarHBondContact O-N 2.86Å; C217-D221 PolarHBondContact O-N 3.24Å
218A73.2Confident78.4Confident50 Ų50101.2 Ų101.241%0.41357%0.567SS.*Hα-helixtrans-63.9-33.1179.100000112.9E214 E215 S216 D221 I222E214-A218 PolarHBondContact O-N 3.01Å; E214-A218 VanDerWaalsContact O-N 3.17Å; E215-A218 PolarHBondContact O-N 3.22Å; S216-A218 VanDerWaalsContact C-N 3.34Å; S216-A218 PolarHBondContact O-N 3.27Å; A218-D221 PolarHBondContact O-N 3.39Å; A218-I222 WeakPolarHBondContact O-CG1 3.21Å; A218-I222 PolarHBondContact O-N 3.39Å
219V70.2Confident77.2Confident89 Ų89100.9 Ų100.954%0.53957%0.573SS.*Hα-helixtrans-68.7-37175.9174.40000111.6E215 S216 C217 I222 T223E215-V219 WeakPolarHBondContact O-CG2 3.43Å; E215-V219 PolarHBondContact O-N 3.41Å; E215-V219 VanDerWaalsContact O-N 3.11Å; S216-V219 PolarHBondContact O-N 3.12Å; C217-V219 VanDerWaalsContact C-N 3.29Å; C217-V219 PolarHBondContact O-N 3.06Å; V219-I222 PolarHBondContact O-N 2.89Å; V219-T223 PolarHBondContact O-N 3.33Å; V219-T223 PolarHBondContact O-OG1 2.79Å
220F64.2Low75.8Confident156 Ų156100.3 Ų100.368%0.68458%0.577SS**Hα-helixtrans-63.3-41175.3-85.6-78.4000112.2S216 C217 I222 T223 G224S216-F220 VanDerWaalsContact O-CD2 3.32Å; S216-F220 WeakPolarHBondContact O-CD2 3.3Å; S216-F220 PolarHBondContact O-N 2.88Å; C217-F220 PolarHBondContact O-N 2.86Å; F220-I222 PolarHBondContact O-N 2.89Å; F220-T223 PolarHBondContact O-N 3.34Å; F220-G224 PolarHBondContact O-N 2.76Å; F220-G224 VanDerWaalsContact O-N 3.14Å
221D53.7Low74.4Confident138 Ų138104.9 Ų104.974%0.73861%0.606SS**Hα-helixtrans-66.9-19.7178.7-76.3-19.2000114.1C217 A218C217-D221 PolarHBondContact O-N 3.24Å; A218-D221 PolarHBondContact O-N 3.39Å
222I61Low72.8Confident143 Ų143107.5 Ų107.573%0.73363%0.629SS**Hα-helixtrans-91-22.3178.6-63.4168.3000111.7A218 V219 F220A218-I222 WeakPolarHBondContact O-CG1 3.21Å; A218-I222 PolarHBondContact O-N 3.39Å; V219-I222 PolarHBondContact O-N 2.89Å; F220-I222 PolarHBondContact O-N 2.89Å
223T56.3Low70.9Confident107 Ų107108 Ų10866%0.65664%0.642SS**Hα-helixtrans-110.8-6.9-171.5540000114.9V219 F220V219-T223 PolarHBondContact O-N 3.33Å; V219-T223 PolarHBondContact O-OG1 2.79Å; F220-T223 PolarHBondContact O-N 3.34Å
224G42.1Very low69.1Low126 Ų126108.5 Ų108.5100%1.29965%0.65SS**  trans-95.60170.300000113.1F220F220-G224 PolarHBondContact O-N 2.76Å; F220-G224 VanDerWaalsContact O-N 3.14Å

Retrieved 224 of 224 residues in 227.6 ms (Link to these results)

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