A0A5K4FD31_SCHMA Loading...

Putative prokaryotic DNA topoisomerase

AlphaFold DB , UniProt , Accession A0A5K4FD31, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 246 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
1M40.4Very low71.9Confident238 Ų238108.5 Ų108.5100%1.17257%0.565SS**  0100.30-150.7175.1-150.900106L3M1-L3 PolarHBondContact O-N 3.17Å
2A46.1Very low74.1Confident98 Ų9899.4 Ų99.481%0.8152%0.518SS*.  trans-64.8108.6172.400000105.7C4A2-C4 VanDerWaalsContact C-N 3.25Å; A2-C4 PolarHBondContact O-N 3.06Å
3L49.9Very low75.9Confident159 Ų15996.1 Ų96.183%0.83250%0.501SS*.  trans-54.1103.2164-89.8149.4000104.7M1 H5M1-L3 PolarHBondContact O-N 3.17Å; L3-H5 PolarHBondContact O-N 3.35Å
4C47.6Very low77.4Confident127 Ų12797.4 Ų97.486%0.85850%0.501SS*.  trans-67.487.9177.8-156.70000104.9A2 F6A2-C4 VanDerWaalsContact C-N 3.25Å; A2-C4 PolarHBondContact O-N 3.06Å; C4-F6 VanDerWaalsContact C-N 3.28Å; C4-F6 PolarHBondContact O-N 3.31Å
5H65.9Low78.8Confident148 Ų14890.9 Ų90.969%0.68547%0.467SS*.  trans-72.194.5-175.8-146.5-77.7000105.7L3 S7L3-H5 PolarHBondContact O-N 3.35Å; H5-S7 PolarHBondContact O-N 3.1Å
6F75.6Confident80Confident110 Ų11087.6 Ų87.648%0.48245%0.449SS..  trans-60.8114.7179.5-174.5-95.5000107.7C4 W8C4-F6 VanDerWaalsContact C-N 3.28Å; C4-F6 PolarHBondContact O-N 3.31Å; F6-W8 AromaticContact CD1-CD2 3.87Å; F6-W8 HydrophobicContact CD1-CD2 3.87Å; F6-W8 AromaticContact CD1-CE3 3.54Å; F6-W8 HydrophobicContact CD1-CE3 3.54Å; F6-W8 HydrophobicContact CD1-CG 4.48Å; F6-W8 HydrophobicContact CD1-CH2 4.3Å; F6-W8 AromaticContact CD1-CZ3 3.79Å; F6-W8 HydrophobicContact CD1-CZ3 3.79Å; F6-W8 HydrophobicContact CE1-CD2 4.34Å; F6-W8 AromaticContact CE1-CE3 3.67Å; F6-W8 HydrophobicContact CE1-CE3 3.67Å; F6-W8 AromaticContact CE1-CZ3 4Å; F6-W8 HydrophobicContact CE1-CZ3 4Å; F6-W8 PolarHBondContact O-N 3.12Å
7S86.9Confident81Confident22 Ų2287.9 Ų87.915%0.15445%0.45CS..  trans-81.7107.9179.2-260000107.7H5 Y9 K10H5-S7 PolarHBondContact O-N 3.1Å; S7-Y9 PolarHBondContact O-N 3.07Å; S7-K10 VanDerWaalsContact O-CB 3.31Å; S7-K10 WeakPolarHBondContact O-CB 3.16Å; S7-K10 WeakPolarHBondContact O-CG 3.46Å; S7-K10 PolarHBondContact O-N 3.48Å; S7-K10 WeakPolarHBondContact OG-CE 3.41Å; S7-K10 PolarHBondContact OG-NZ 3.18Å
8W91.3Very high81.8Confident96 Ų9684.4 Ų84.436%0.36443%0.431SS..THydrogen-bonded Turntrans-64.4-27.7-169.6-63.5101.9000112.7F6 K10 L11 P12 I73 E232F6-W8 AromaticContact CD1-CD2 3.87Å; F6-W8 HydrophobicContact CD1-CD2 3.87Å; F6-W8 AromaticContact CD1-CE3 3.54Å; F6-W8 HydrophobicContact CD1-CE3 3.54Å; F6-W8 HydrophobicContact CD1-CG 4.48Å; F6-W8 HydrophobicContact CD1-CH2 4.3Å; F6-W8 AromaticContact CD1-CZ3 3.79Å; F6-W8 HydrophobicContact CD1-CZ3 3.79Å; F6-W8 HydrophobicContact CE1-CD2 4.34Å; F6-W8 AromaticContact CE1-CE3 3.67Å; F6-W8 HydrophobicContact CE1-CE3 3.67Å; F6-W8 AromaticContact CE1-CZ3 4Å; F6-W8 HydrophobicContact CE1-CZ3 4Å; F6-W8 PolarHBondContact O-N 3.12Å; W8-K10 PolarHBondContact O-N 2.95Å; W8-K10 VanDerWaalsContact O-N 3.15Å; W8-L11 PolarHBondContact O-N 3.33Å; W8-P12 VanDerWaalsContact O-CD 3.31Å; W8-P12 WeakPolarHBondContact O-CD 3.37Å; W8-I73 HydrophobicContact CB-CG2 3.71Å; W8-I73 HydrophobicContact CD2-CD1 4.39Å; W8-I73 HydrophobicContact CD2-CG2 4.02Å; W8-I73 HydrophobicContact CE3-CD1 3.5Å; W8-I73 VanDerWaalsContact CE3-CD1 3.5Å; W8-I73 HydrophobicContact CE3-CG1 4.06Å; W8-I73 HydrophobicContact CE3-CG2 4.2Å; W8-I73 HydrophobicContact CG-CG2 3.83Å; W8-I73 HydrophobicContact CZ3-CD1 3.98Å; W8-I73 HydrophobicContact CZ3-CG1 4.45Å; W8-E232 WeakPolarHBondContact CA-OE1 3.36Å; W8-E232 VanDerWaalsContact CB-OE1 3.24Å; W8-E232 WeakPolarHBondContact CB-OE1 3.48Å; W8-E232 PolarHBondContact N-OE1 2.91Å
9Y94.2Very high82.6Confident56 Ų5680.3 Ų80.322%0.2241%0.411CS..THydrogen-bonded Turntrans-61.7-19.9175.377.4-93.3000113.8S7 L11 P12 L13 A225 Y229 E232S7-Y9 PolarHBondContact O-N 3.07Å; Y9-L11 VanDerWaalsContact C-N 3.3Å; Y9-L11 PolarHBondContact O-N 3.37Å; Y9-P12 WeakPolarHBondContact O-CD 3.25Å; Y9-P12 WeakPolarHBondContact O-CG 3.36Å; Y9-L13 PolarHBondContact O-N 3.17Å; Y9-A225 WeakPolarHBondContact CB-O 3.48Å; Y9-Y229 AromaticContact CD1-CD2 3.68Å; Y9-Y229 HydrophobicContact CD1-CD2 3.68Å; Y9-Y229 HydrophobicContact CD1-CG 4.47Å; Y9-Y229 HydrophobicContact CD2-CD2 4.17Å; Y9-Y229 AromaticContact CE1-CD2 3.55Å; Y9-Y229 HydrophobicContact CE1-CD2 3.55Å; Y9-Y229 HydrophobicContact CE1-CE2 4.03Å; Y9-Y229 HydrophobicContact CE2-CD2 4.07Å; Y9-Y229 AromaticContact CG-CD2 3.99Å; Y9-Y229 HydrophobicContact CG-CD2 3.99Å; Y9-Y229 HydrophobicContact CG-CG 4.44Å; Y9-Y229 AromaticContact CZ-CD2 3.77Å; Y9-E232 WeakPolarHBondContact CD1-OE2 3.4Å
10K96.2Very high83.2Confident103 Ų10380.3 Ų80.345%0.44841%0.412SS..Hα-helixtrans-68.9-29.1180-67.4175.4178.71730112.4S7 W8 F14S7-K10 VanDerWaalsContact O-CB 3.31Å; S7-K10 WeakPolarHBondContact O-CB 3.16Å; S7-K10 WeakPolarHBondContact O-CG 3.46Å; S7-K10 PolarHBondContact O-N 3.48Å; S7-K10 WeakPolarHBondContact OG-CE 3.41Å; S7-K10 PolarHBondContact OG-NZ 3.18Å; W8-K10 PolarHBondContact O-N 2.95Å; W8-K10 VanDerWaalsContact O-N 3.15Å; K10-F14 VanDerWaalsContact O-CB 3.3Å; K10-F14 WeakPolarHBondContact O-CB 3.25Å; K10-F14 PolarHBondContact O-N 3.12Å
11L96.9Very high83.7Confident36 Ų3682.2 Ų82.219%0.18842%0.418CS..Hα-helixtrans-64.6-55.3-179.8-18066.2000112.6W8 Y9 L13 F14 A15 M66 V69 S70 I73W8-L11 PolarHBondContact O-N 3.33Å; Y9-L11 VanDerWaalsContact C-N 3.3Å; Y9-L11 PolarHBondContact O-N 3.37Å; L11-L13 VanDerWaalsContact C-N 3.28Å; L11-L13 PolarHBondContact O-N 3.47Å; L11-F14 PolarHBondContact O-N 2.94Å; L11-A15 PolarHBondContact O-N 2.93Å; L11-M66 HydrophobicContact CD1-CB 4.27Å; L11-M66 HydrophobicContact CD1-CG 4.09Å; L11-M66 HydrophobicContact CD1-SD 4.46Å; L11-V69 HydrophobicContact CD2-CB 4.04Å; L11-V69 HydrophobicContact CD2-CG1 3.61Å; L11-S70 WeakPolarHBondContact CG-OG 3.47Å; L11-I73 HydrophobicContact CD2-CD1 3.92Å
12P97.9Very high86.3Confident0 Ų074 Ų740%037%0.373CS..Hα-helixtrans-65.8-32176.322.6-31.5000112.4W8 Y9 F14 A15 F16 S70 T221 I224 A225 L228W8-P12 VanDerWaalsContact O-CD 3.31Å; W8-P12 WeakPolarHBondContact O-CD 3.37Å; Y9-P12 WeakPolarHBondContact O-CD 3.25Å; Y9-P12 WeakPolarHBondContact O-CG 3.36Å; P12-F14 VanDerWaalsContact C-N 3.35Å; P12-A15 WeakPolarHBondContact O-CB 3.5Å; P12-A15 PolarHBondContact O-N 3.3Å; P12-F16 WeakPolarHBondContact O-CB 3.42Å; P12-F16 PolarHBondContact O-N 3.24Å; P12-S70 WeakPolarHBondContact CA-OG 3.5Å; P12-S70 WeakPolarHBondContact CB-OG 3.31Å; P12-S70 VanDerWaalsContact CD-OG 3.24Å; P12-S70 WeakPolarHBondContact CD-OG 3.44Å; P12-T221 HydrophobicContact CB-CG2 3.88Å; P12-T221 WeakPolarHBondContact CB-O 3.36Å; P12-T221 WeakPolarHBondContact O-CG2 3.26Å; P12-I224 HydrophobicContact CB-CG2 4.35Å; P12-I224 HydrophobicContact CG-CG2 4.3Å; P12-A225 HydrophobicContact CB-CB 3.94Å; P12-A225 HydrophobicContact CG-CB 3.66Å; P12-L228 HydrophobicContact CG-CD1 3.98Å
13L97.5Very high88.6Confident56 Ų5670 Ų7029%0.29334%0.339SS..Hα-helixtrans-62.8-43.6173.8-176.862.6000111.5Y9 L11 A15 F16 I17 F222 A225Y9-L13 PolarHBondContact O-N 3.17Å; L11-L13 VanDerWaalsContact C-N 3.28Å; L11-L13 PolarHBondContact O-N 3.47Å; L13-A15 VanDerWaalsContact C-N 3.35Å; L13-F16 PolarHBondContact O-N 2.93Å; L13-I17 HydrophobicContact CD1-CD1 4.44Å; L13-I17 HydrophobicContact CG-CD1 4.14Å; L13-I17 WeakPolarHBondContact O-CG1 3.25Å; L13-I17 PolarHBondContact O-N 3.41Å; L13-F222 HydrophobicContact CD1-CD2 4.19Å; L13-F222 HydrophobicContact CD1-CE2 4.06Å; L13-A225 HydrophobicContact CB-CB 4.17Å
14F97.6Very high90.6Very high115 Ų11565.5 Ų65.550%0.50432%0.318SS..Hα-helixtrans-63.9-40.7173.9179.9-102.1000111.3K10 L11 P12 F16 I17 H18 M66K10-F14 VanDerWaalsContact O-CB 3.3Å; K10-F14 WeakPolarHBondContact O-CB 3.25Å; K10-F14 PolarHBondContact O-N 3.12Å; L11-F14 PolarHBondContact O-N 2.94Å; P12-F14 VanDerWaalsContact C-N 3.35Å; F14-F16 VanDerWaalsContact C-N 3.34Å; F14-F16 PolarHBondContact O-N 2.9Å; F14-I17 PolarHBondContact O-N 3.24Å; F14-H18 WeakPolarHBondContact O-CB 3.32Å; F14-H18 PolarHBondContact O-N 2.97Å; F14-M66 HydrophobicContact CD1-CE 4.32Å; F14-M66 HydrophobicContact CD1-SD 3.46Å; F14-M66 WeakPolarHBondContact CD1-SD 3.46Å; F14-M66 HydrophobicContact CE1-CE 4.29Å; F14-M66 HydrophobicContact CE1-SD 3.68Å
15A97.7Very high92.9Very high0 Ų061.5 Ų61.50%029%0.29CS..Hα-helixtrans-60.2-41.6174.900000112.6L11 P12 L13 H18 A19 Y63 M66 T221L11-A15 PolarHBondContact O-N 2.93Å; P12-A15 WeakPolarHBondContact O-CB 3.5Å; P12-A15 PolarHBondContact O-N 3.3Å; L13-A15 VanDerWaalsContact C-N 3.35Å; A15-H18 WeakPolarHBondContact O-CB 3.49Å; A15-H18 PolarHBondContact O-N 3.15Å; A15-A19 PolarHBondContact O-N 3.09Å; A15-Y63 HydrophobicContact CB-CD2 4.2Å; A15-Y63 HydrophobicContact CB-CE2 4.39Å; A15-Y63 WeakPolarHBondContact O-CD2 3.42Å; A15-M66 HydrophobicContact CB-CB 3.68Å; A15-M66 HydrophobicContact CB-CE 4.08Å; A15-M66 HydrophobicContact CB-SD 4.3Å; A15-T221 HydrophobicContact CB-CG2 3.96Å
16F97.7Very high94.2Very high38 Ų3854.5 Ų54.517%0.16726%0.258CS..Hα-helixtrans-63.2-49.3174.8174.7-106.5000111.9P12 L13 F14 H18 A19 L20 A218 F222P12-F16 WeakPolarHBondContact O-CB 3.42Å; P12-F16 PolarHBondContact O-N 3.24Å; L13-F16 PolarHBondContact O-N 2.93Å; F14-F16 VanDerWaalsContact C-N 3.34Å; F14-F16 PolarHBondContact O-N 2.9Å; F16-H18 VanDerWaalsContact C-N 3.28Å; F16-H18 PolarHBondContact O-N 3.36Å; F16-A19 PolarHBondContact O-N 3.35Å; F16-L20 HydrophobicContact CD1-CD1 3.99Å; F16-L20 HydrophobicContact CE1-CD1 3.35Å; F16-L20 HydrophobicContact CE1-CG 4.2Å; F16-L20 HydrophobicContact CE2-CD1 4.13Å; F16-L20 HydrophobicContact CE2-CD2 4.49Å; F16-L20 HydrophobicContact CE2-CG 4.22Å; F16-L20 HydrophobicContact CZ-CD1 3.44Å; F16-L20 VanDerWaalsContact CZ-CD1 3.44Å; F16-L20 HydrophobicContact CZ-CD2 4.42Å; F16-L20 HydrophobicContact CZ-CG 4.03Å; F16-L20 WeakPolarHBondContact O-CG 3.35Å; F16-L20 PolarHBondContact O-N 3.07Å; F16-A218 HydrophobicContact CD2-CB 4.16Å; F16-A218 WeakPolarHBondContact CD2-O 3.19Å; F16-A218 HydrophobicContact CE2-CB 4.28Å; F16-F222 HydrophobicContact CD1-CB 4.5Å; F16-F222 AromaticContact CD1-CD2 3.92Å; F16-F222 HydrophobicContact CD1-CD2 3.92Å; F16-F222 HydrophobicContact CD1-CG 4.49Å; F16-F222 HydrophobicContact CD2-CB 3.89Å; F16-F222 HydrophobicContact CE1-CD2 4.07Å; F16-F222 HydrophobicContact CE1-CG 4.46Å; F16-F222 HydrophobicContact CE2-CB 4.11Å; F16-F222 HydrophobicContact CG-CB 4.08Å; F16-F222 HydrophobicContact CG-CD2 4.26Å; F16-F222 HydrophobicContact CZ-CB 4.49Å
17I97.8Very high95.1Very high92 Ų9251.9 Ų51.947%0.47225%0.245SC..Hα-helixtrans-61-41.1176.6-67.4166.9000110.7L13 F14 A19 L20 F21L13-I17 HydrophobicContact CD1-CD1 4.44Å; L13-I17 HydrophobicContact CG-CD1 4.14Å; L13-I17 WeakPolarHBondContact O-CG1 3.25Å; L13-I17 PolarHBondContact O-N 3.41Å; F14-I17 PolarHBondContact O-N 3.24Å; I17-A19 VanDerWaalsContact C-N 3.34Å; I17-A19 PolarHBondContact O-N 2.96Å; I17-L20 PolarHBondContact O-N 3.06Å; I17-F21 WeakPolarHBondContact O-CB 3.28Å; I17-F21 PolarHBondContact O-N 3.11Å
18H95.7Very high95.5Very high25 Ų2556 Ų5612%0.11627%0.265CS..Hα-helixtrans-58.9-45.1176.1-179.3-81000111F14 A15 F16 F21 W22 S62 M66F14-H18 WeakPolarHBondContact O-CB 3.32Å; F14-H18 PolarHBondContact O-N 2.97Å; A15-H18 WeakPolarHBondContact O-CB 3.49Å; A15-H18 PolarHBondContact O-N 3.15Å; F16-H18 VanDerWaalsContact C-N 3.28Å; F16-H18 PolarHBondContact O-N 3.36Å; H18-F21 PolarHBondContact O-N 3.48Å; H18-W22 AromaticContact CD2-CD1 3.63Å; H18-W22 AromaticContact CD2-NE1 3.51Å; H18-W22 AromaticContact CE1-CD1 3.2Å; H18-W22 AromaticContact CE1-NE1 3.44Å; H18-W22 PolarHBondContact CE1-NE1 3.46Å; H18-W22 AromaticContact CG-CD1 3.74Å; H18-W22 AromaticContact ND1-CD1 3.51Å; H18-W22 AromaticContact NE2-CD1 3.29Å; H18-W22 VanDerWaalsContact NE2-CD1 3.29Å; H18-W22 AromaticContact NE2-NE1 3.03Å; H18-W22 PolarHBondContact NE2-NE1 2.97Å; H18-W22 PolarHBondContact O-N 3.48Å; H18-S62 PolarHBondContact CE1-OG 3.05Å; H18-S62 PolarHBondContact NE2-OG 3.35Å; H18-S62 VanDerWaalsContact NE2-OG 3.16Å; H18-M66 HydrophobicContact CB-CE 4.03Å
19A95.7Very high95.7Very high6 Ų653.7 Ų53.75%0.0526%0.259CS..Hα-helixtrans-63.1-46.3174.900000112.6A15 F16 I17 F21 W22 L23 Y63A15-A19 PolarHBondContact O-N 3.09Å; F16-A19 PolarHBondContact O-N 3.35Å; I17-A19 VanDerWaalsContact C-N 3.34Å; I17-A19 PolarHBondContact O-N 2.96Å; A19-F21 PolarHBondContact O-N 3.42Å; A19-W22 PolarHBondContact O-N 3.46Å; A19-L23 WeakPolarHBondContact O-CB 3.46Å; A19-L23 PolarHBondContact O-N 2.89Å; A19-Y63 HydrophobicContact CB-CD2 3.95Å; A19-Y63 HydrophobicContact CB-CE2 4.09Å
20L94.8Very high95.6Very high80 Ų8051 Ų5142%0.41925%0.249SC..Hα-helixtrans-64.2-25.2177.7-72.7-175.2000113.9F16 I17 P24F16-L20 HydrophobicContact CD1-CD1 3.99Å; F16-L20 HydrophobicContact CE1-CD1 3.35Å; F16-L20 HydrophobicContact CE1-CG 4.2Å; F16-L20 HydrophobicContact CE2-CD1 4.13Å; F16-L20 HydrophobicContact CE2-CD2 4.49Å; F16-L20 HydrophobicContact CE2-CG 4.22Å; F16-L20 HydrophobicContact CZ-CD1 3.44Å; F16-L20 VanDerWaalsContact CZ-CD1 3.44Å; F16-L20 HydrophobicContact CZ-CD2 4.42Å; F16-L20 HydrophobicContact CZ-CG 4.03Å; F16-L20 WeakPolarHBondContact O-CG 3.35Å; F16-L20 PolarHBondContact O-N 3.07Å; I17-L20 PolarHBondContact O-N 3.06Å; L20-P24 WeakPolarHBondContact O-CD 3.4Å; L20-P24 WeakPolarHBondContact O-CG 3.32Å
21F95Very high95.4Very high122 Ų12248.6 Ų48.654%0.53524%0.24SC..Hα-helixtrans-79.7-55.3174.7177.8-100.2000110.8I17 H18 A19 P24 T25I17-F21 WeakPolarHBondContact O-CB 3.28Å; I17-F21 PolarHBondContact O-N 3.11Å; H18-F21 PolarHBondContact O-N 3.48Å; A19-F21 PolarHBondContact O-N 3.42Å; F21-P24 WeakPolarHBondContact O-CD 3.48Å; F21-T25 PolarHBondContact O-N 3.37Å; F21-T25 PolarHBondContact O-OG1 3.23Å
22W94.3Very high95.2Very high65 Ų6551.2 Ų51.225%0.24626%0.262CS..Hα-helixtrans-73-35-170.9-77.2106.6000114H18 A19 T25 T26 M55 L59H18-W22 AromaticContact CD2-CD1 3.63Å; H18-W22 AromaticContact CD2-NE1 3.51Å; H18-W22 AromaticContact CE1-CD1 3.2Å; H18-W22 AromaticContact CE1-NE1 3.44Å; H18-W22 PolarHBondContact CE1-NE1 3.46Å; H18-W22 AromaticContact CG-CD1 3.74Å; H18-W22 AromaticContact ND1-CD1 3.51Å; H18-W22 AromaticContact NE2-CD1 3.29Å; H18-W22 VanDerWaalsContact NE2-CD1 3.29Å; H18-W22 AromaticContact NE2-NE1 3.03Å; H18-W22 PolarHBondContact NE2-NE1 2.97Å; H18-W22 PolarHBondContact O-N 3.48Å; A19-W22 PolarHBondContact O-N 3.46Å; W22-T25 PolarHBondContact O-N 3.36Å; W22-T26 WeakPolarHBondContact O-CB 3.4Å; W22-T26 PolarHBondContact O-N 3.13Å; W22-T26 PolarHBondContact O-OG1 3.25Å; W22-M55 HydrophobicContact CE3-CB 4.24Å; W22-M55 HydrophobicContact CE3-CE 3.76Å; W22-M55 HydrophobicContact CZ3-CB 4.12Å; W22-M55 HydrophobicContact CZ3-CE 3.53Å; W22-M55 HydrophobicContact CZ3-CG 4.06Å; W22-L59 HydrophobicContact CB-CB 3.97Å; W22-L59 HydrophobicContact CB-CD1 3.71Å; W22-L59 HydrophobicContact CB-CD2 3.83Å; W22-L59 HydrophobicContact CB-CG 4.02Å; W22-L59 HydrophobicContact CG-CB 4.35Å; W22-L59 HydrophobicContact CG-CD1 4.36Å
23L93.6Very high94.9Very high15 Ų1557.9 Ų57.98%0.07929%0.287CS..Hα-helixtrans-60.3-53.6-179.7-78.9171000111.5A19 T25 T26 Y27 V43 L46 L59 W211 V214A19-L23 WeakPolarHBondContact O-CB 3.46Å; A19-L23 PolarHBondContact O-N 2.89Å; L23-T25 PolarHBondContact O-N 2.98Å; L23-T26 PolarHBondContact O-N 3.3Å; L23-Y27 VanDerWaalsContact O-CB 3.31Å; L23-Y27 WeakPolarHBondContact O-CB 3.48Å; L23-Y27 PolarHBondContact O-N 3.1Å; L23-V43 HydrophobicContact CD2-CG1 4.17Å; L23-L46 HydrophobicContact CD2-CD1 4.43Å; L23-L59 HydrophobicContact CD2-CD2 3.63Å; L23-L59 HydrophobicContact CG-CD2 3.75Å; L23-W211 HydrophobicContact CD1-CZ3 4.37Å; L23-V214 HydrophobicContact CD1-CG1 4.13Å
24P93.5Very high94.5Very high63 Ų6360 Ų6041%0.40930%0.298SS..Hα-helixtrans-61.6-41.3174.8-25.336000113.6L20 F21 T26 Y27 L28L20-P24 WeakPolarHBondContact O-CD 3.4Å; L20-P24 WeakPolarHBondContact O-CG 3.32Å; F21-P24 WeakPolarHBondContact O-CD 3.48Å; P24-T26 PolarHBondContact O-N 3.22Å; P24-Y27 WeakPolarHBondContact O-CB 3.37Å; P24-Y27 PolarHBondContact O-N 3.22Å; P24-L28 WeakPolarHBondContact O-CB 3.38Å; P24-L28 VanDerWaalsContact O-CG 3.26Å; P24-L28 WeakPolarHBondContact O-CG 3.3Å; P24-L28 PolarHBondContact O-N 3.27Å
25T95.1Very high94.1Very high44 Ų4456.7 Ų56.727%0.2728%0.284SS..Hα-helixtrans-63.4-43.7179.8-53.90000111.6F21 W22 L23 L28 I29 M55F21-T25 PolarHBondContact O-N 3.37Å; F21-T25 PolarHBondContact O-OG1 3.23Å; W22-T25 PolarHBondContact O-N 3.36Å; L23-T25 PolarHBondContact O-N 2.98Å; T25-L28 PolarHBondContact O-N 3.18Å; T25-I29 HydrophobicContact CG2-CD1 4.16Å; T25-I29 WeakPolarHBondContact O-CG1 3.47Å; T25-I29 PolarHBondContact O-N 3.42Å; T25-I29 VanDerWaalsContact O-N 3.1Å; T25-M55 HydrophobicContact CG2-CE 3.72Å
26T94.2Very high93.6Very high0 Ų056.7 Ų56.70%029%0.285CS..Hα-helixtrans-63.9-43.6178.1-550000110.5W22 L23 P24 I29 A30 L46 E52 M55 F56W22-T26 WeakPolarHBondContact O-CB 3.4Å; W22-T26 PolarHBondContact O-N 3.13Å; W22-T26 PolarHBondContact O-OG1 3.25Å; L23-T26 PolarHBondContact O-N 3.3Å; P24-T26 PolarHBondContact O-N 3.22Å; T26-I29 PolarHBondContact O-N 2.99Å; T26-A30 WeakPolarHBondContact O-CB 3.49Å; T26-A30 PolarHBondContact O-N 3.27Å; T26-L46 HydrophobicContact CG2-CB 3.87Å; T26-L46 HydrophobicContact CG2-CD1 4.08Å; T26-L46 HydrophobicContact CG2-CD2 4.21Å; T26-L46 HydrophobicContact CG2-CG 4.28Å; T26-E52 HydrophobicContact CG2-CB 3.68Å; T26-M55 HydrophobicContact CG2-CB 4.38Å; T26-F56 HydrophobicContact CG2-CB 4.24Å
27Y93.7Very high92.8Very high56 Ų5655.5 Ų55.522%0.2228%0.281CS..Hα-helixtrans-58.6-49.5173.8168.3-99.3000113.1L23 P24 I29 A30 I31 I36 P38 P41L23-Y27 VanDerWaalsContact O-CB 3.31Å; L23-Y27 WeakPolarHBondContact O-CB 3.48Å; L23-Y27 PolarHBondContact O-N 3.1Å; P24-Y27 WeakPolarHBondContact O-CB 3.37Å; P24-Y27 PolarHBondContact O-N 3.22Å; Y27-I29 VanDerWaalsContact C-N 3.32Å; Y27-I29 PolarHBondContact O-N 3.32Å; Y27-A30 PolarHBondContact O-N 3.04Å; Y27-I31 HydrophobicContact CD1-CD1 4.05Å; Y27-I31 HydrophobicContact CD2-CD1 4.04Å; Y27-I31 HydrophobicContact CE1-CD1 3.42Å; Y27-I31 VanDerWaalsContact CE1-CD1 3.42Å; Y27-I31 HydrophobicContact CE2-CD1 3.41Å; Y27-I31 VanDerWaalsContact CE2-CD1 3.41Å; Y27-I31 HydrophobicContact CE2-CG1 4.26Å; Y27-I31 HydrophobicContact CG-CD1 4.33Å; Y27-I31 PolarHBondContact O-N 3.23Å; Y27-I31 VanDerWaalsContact OH-CD1 3.23Å; Y27-I31 WeakPolarHBondContact OH-CD1 3.39Å; Y27-I36 HydrophobicContact CD2-CD1 3.97Å; Y27-I36 HydrophobicContact CE2-CD1 4.5Å; Y27-P38 PolarHBondContact OH-O 2.96Å; Y27-P41 HydrophobicContact CD2-CG 3.74Å; Y27-P41 HydrophobicContact CE2-CG 3.63Å
28L94.9Very high91.7Very high109 Ų10954.9 Ų54.957%0.57128%0.283SS*.Hα-helixtrans-62.7-38.7-179.4-71.6172.8000112.1P24 T25 S32P24-L28 WeakPolarHBondContact O-CB 3.38Å; P24-L28 VanDerWaalsContact O-CG 3.26Å; P24-L28 WeakPolarHBondContact O-CG 3.3Å; P24-L28 PolarHBondContact O-N 3.27Å; T25-L28 PolarHBondContact O-N 3.18Å; L28-S32 WeakPolarHBondContact O-CB 3.45Å; L28-S32 PolarHBondContact O-N 3.25Å
29I95.2Very high91Very high47 Ų4758 Ų5824%0.24130%0.303CS..Hα-helixtrans-67.5-44.2176.8-72.2169.9000110.9T25 T26 Y27 I31 S32 R33 P51 M55T25-I29 HydrophobicContact CG2-CD1 4.16Å; T25-I29 WeakPolarHBondContact O-CG1 3.47Å; T25-I29 PolarHBondContact O-N 3.42Å; T25-I29 VanDerWaalsContact O-N 3.1Å; T26-I29 PolarHBondContact O-N 2.99Å; Y27-I29 VanDerWaalsContact C-N 3.32Å; Y27-I29 PolarHBondContact O-N 3.32Å; I29-I31 VanDerWaalsContact C-N 3.32Å; I29-I31 PolarHBondContact O-N 2.9Å; I29-S32 WeakPolarHBondContact CA-OG 3.49Å; I29-S32 PolarHBondContact O-N 3.07Å; I29-S32 VanDerWaalsContact O-N 3.15Å; I29-S32 PolarHBondContact O-OG 3.46Å; I29-R33 PolarHBondContact O-N 2.9Å; I29-P51 HydrophobicContact CG2-CG 3.89Å; I29-M55 HydrophobicContact CD1-CE 3.53Å; I29-M55 HydrophobicContact CD1-SD 3.48Å; I29-M55 WeakPolarHBondContact CD1-SD 3.48Å
30A93Very high90.6Very high0 Ų059.5 Ų59.50%031%0.312CS..Hα-helixtrans-62.4-39.2178.800000112.1T26 Y27 R33 D34 H35 I36 L46 E52T26-A30 WeakPolarHBondContact O-CB 3.49Å; T26-A30 PolarHBondContact O-N 3.27Å; Y27-A30 PolarHBondContact O-N 3.04Å; A30-R33 PolarHBondContact O-N 3.32Å; A30-D34 PolarHBondContact O-N 3.37Å; A30-H35 PolarHBondContact O-N 2.88Å; A30-I36 HydrophobicContact CB-CD1 3.42Å; A30-I36 VanDerWaalsContact CB-CD1 3.42Å; A30-I36 HydrophobicContact CB-CG1 3.77Å; A30-I36 HydrophobicContact CB-CG2 4.27Å; A30-L46 HydrophobicContact CB-CD2 3.98Å; A30-E52 HydrophobicContact CB-CB 4.39Å; A30-E52 HydrophobicContact CB-CG 3.92Å
31I91.7Very high90.3Very high51 Ų5156 Ų5626%0.26229%0.294SS..Hα-helixtrans-65.4-43.6171.9-72.7177.4000111.5Y27 I29 R33 D34 I36 P38Y27-I31 HydrophobicContact CD1-CD1 4.05Å; Y27-I31 HydrophobicContact CD2-CD1 4.04Å; Y27-I31 HydrophobicContact CE1-CD1 3.42Å; Y27-I31 VanDerWaalsContact CE1-CD1 3.42Å; Y27-I31 HydrophobicContact CE2-CD1 3.41Å; Y27-I31 VanDerWaalsContact CE2-CD1 3.41Å; Y27-I31 HydrophobicContact CE2-CG1 4.26Å; Y27-I31 HydrophobicContact CG-CD1 4.33Å; Y27-I31 PolarHBondContact O-N 3.23Å; Y27-I31 VanDerWaalsContact OH-CD1 3.23Å; Y27-I31 WeakPolarHBondContact OH-CD1 3.39Å; I29-I31 VanDerWaalsContact C-N 3.32Å; I29-I31 PolarHBondContact O-N 2.9Å; I31-R33 PolarHBondContact O-N 3.41Å; I31-D34 PolarHBondContact O-N 2.88Å; I31-I36 HydrophobicContact CG1-CD1 4.3Å; I31-I36 HydrophobicContact CG1-CG1 3.98Å; I31-P38 HydrophobicContact CD1-CB 4.03Å; I31-P38 HydrophobicContact CG1-CB 4.37Å; I31-P38 HydrophobicContact CG2-CB 4.38Å
32S93.4Very high90Very high92 Ų9250.9 Ų50.964%0.64327%0.271SS*.Hα-helixtrans-60-20.3-179.777.60000113L28 I29L28-S32 WeakPolarHBondContact O-CB 3.45Å; L28-S32 PolarHBondContact O-N 3.25Å; I29-S32 WeakPolarHBondContact CA-OG 3.49Å; I29-S32 PolarHBondContact O-N 3.07Å; I29-S32 VanDerWaalsContact O-N 3.15Å; I29-S32 PolarHBondContact O-OG 3.46Å
33R91.7Very high89.9Confident139 Ų13948 Ų4853%0.52526%0.261SS..THydrogen-bonded Turntrans-105.65.1178.7-66.2-179168.7-112.3-3.6114I29 A30 I31 H35 P51I29-R33 PolarHBondContact O-N 2.9Å; A30-R33 PolarHBondContact O-N 3.32Å; I31-R33 PolarHBondContact O-N 3.41Å; R33-H35 PolarHBondContact O-CD2 3.43Å; R33-H35 PolarHBondContact O-N 3.1Å; R33-P51 VanDerWaalsContact CZ-CD 3.47Å; R33-P51 VanDerWaalsContact NE-CD 3.31Å
34D88Confident89.6Confident101 Ų10147.8 Ų47.854%0.5426%0.261SS..THydrogen-bonded Turntrans5435.5-176.1-163.432.4000113.1A30 I31 Y192A30-D34 PolarHBondContact O-N 3.37Å; I31-D34 PolarHBondContact O-N 2.88Å; D34-Y192 PolarHBondContact OD1-OH 3.01Å; D34-Y192 PolarHBondContact OD2-OH 3.35Å
35H89.5Confident89.4Confident45 Ų4544.9 Ų44.921%0.20824%0.242CC..  trans-86.9-20.7179.6-68.2171.9000112.9A30 R33 Y49 P50 E52A30-H35 PolarHBondContact O-N 2.88Å; R33-H35 PolarHBondContact O-CD2 3.43Å; R33-H35 PolarHBondContact O-N 3.1Å; H35-Y49 HydrophobicContact CB-CD2 3.93Å; H35-Y49 HydrophobicContact CB-CG 4.38Å; H35-Y49 WeakPolarHBondContact ND1-CB 3.48Å; H35-P50 PolarHBondContact CE1-O 3.36Å; H35-P50 VanDerWaalsContact CE1-O 3.28Å; H35-E52 WeakPolarHBondContact CB-OE1 3.32Å; H35-E52 IonicContact CE1-OE1 3.75Å; H35-E52 IonicContact CE1-OE2 3.86Å; H35-E52 IonicContact CG-OE1 3.55Å; H35-E52 VanDerWaalsContact ND1-CD 3.35Å; H35-E52 IonicContact ND1-OE1 2.66Å; H35-E52 PolarHBondContact ND1-OE1 3.45Å; H35-E52 IonicContact ND1-OE2 3.29Å; H35-E52 PolarHBondContact ND1-OE2 3.36Å
36I87Confident89.2Confident1 Ų142.8 Ų42.81%0.00523%0.229CC..SBendtrans-141.4159.6-177.168-177.8000111.2Y27 A30 I31 P41 A45 L46 Y192Y27-I36 HydrophobicContact CD2-CD1 3.97Å; Y27-I36 HydrophobicContact CE2-CD1 4.5Å; A30-I36 HydrophobicContact CB-CD1 3.42Å; A30-I36 VanDerWaalsContact CB-CD1 3.42Å; A30-I36 HydrophobicContact CB-CG1 3.77Å; A30-I36 HydrophobicContact CB-CG2 4.27Å; I31-I36 HydrophobicContact CG1-CD1 4.3Å; I31-I36 HydrophobicContact CG1-CG1 3.98Å; I36-P41 HydrophobicContact CB-CB 3.75Å; I36-P41 HydrophobicContact CB-CG 4.41Å; I36-P41 HydrophobicContact CD1-CB 3.79Å; I36-P41 HydrophobicContact CD1-CG 3.5Å; I36-P41 HydrophobicContact CG1-CB 4.02Å; I36-P41 HydrophobicContact CG1-CG 4.12Å; I36-P41 HydrophobicContact CG2-CB 4.44Å; I36-A45 HydrophobicContact CG2-CB 3.88Å; I36-L46 HydrophobicContact CD1-CD2 3.54Å; I36-Y192 VanDerWaalsContact C-CE2 3.49Å
37S81.3Confident88.9Confident13 Ų1343.1 Ų43.19%0.09123%0.232CC..  trans-66.3135.2175.2178.50000111.1V39 P41S37-V39 VanDerWaalsContact C-N 3.28Å; S37-V39 PolarHBondContact O-N 3.26Å; S37-P41 WeakPolarHBondContact O-CD 3.5Å
38P75.6Confident88.7Confident78 Ų7840.9 Ų40.951%0.50622%0.224SC..SBendtrans-77.7-4.4-174.931.4-37.2000115.1Y27 I31Y27-P38 PolarHBondContact OH-O 2.96Å; I31-P38 HydrophobicContact CD1-CB 4.03Å; I31-P38 HydrophobicContact CG1-CB 4.37Å; I31-P38 HydrophobicContact CG2-CB 4.38Å
39V81Confident88.4Confident90 Ų9038.2 Ų38.255%0.54521%0.207SC..SBendtrans-89.6-71.4-177-1780000110.6S37S37-V39 VanDerWaalsContact C-N 3.28Å; S37-V39 PolarHBondContact O-N 3.26Å
40V85.9Confident88.3Confident38 Ų3839 Ų3923%0.2322%0.215CC..SBendtrans-144.897.8172.7-175.60000108V204 A207 V208V40-V204 HydrophobicContact CB-CG1 4.44Å; V40-A207 HydrophobicContact CG1-CB 3.94Å; V40-A207 WeakPolarHBondContact O-CB 3.27Å; V40-V208 HydrophobicContact CB-CG2 4.2Å; V40-V208 HydrophobicContact CG1-CG2 3.8Å; V40-V208 HydrophobicContact CG2-CG2 4.01Å
41P88.9Confident88.4Confident8 Ų841.2 Ų41.25%0.05223%0.229CC..  trans-83.6157.8174.933.5-32.4000110.3Y27 I36 S37 V43 W211Y27-P41 HydrophobicContact CD2-CG 3.74Å; Y27-P41 HydrophobicContact CE2-CG 3.63Å; I36-P41 HydrophobicContact CB-CB 3.75Å; I36-P41 HydrophobicContact CB-CG 4.41Å; I36-P41 HydrophobicContact CD1-CB 3.79Å; I36-P41 HydrophobicContact CD1-CG 3.5Å; I36-P41 HydrophobicContact CG1-CB 4.02Å; I36-P41 HydrophobicContact CG1-CG 4.12Å; I36-P41 HydrophobicContact CG2-CB 4.44Å; S37-P41 WeakPolarHBondContact O-CD 3.5Å; P41-V43 PolarHBondContact O-N 3Å; P41-W211 PolarHBondContact O-NE1 3.21Å
42Y89.7Confident88.3Confident13 Ų1338.8 Ų38.85%0.05122%0.217CC..  trans-59.3136.6165.7-71.7-68.6000110.1S44 A45 F174 F203 S206 A207 E210Y42-S44 PolarHBondContact O-N 3.1Å; Y42-A45 VanDerWaalsContact O-CB 3.27Å; Y42-A45 WeakPolarHBondContact O-CB 3.36Å; Y42-A45 PolarHBondContact O-N 3.38Å; Y42-F174 HydrophobicContact CD1-CE2 4.12Å; Y42-F174 HydrophobicContact CE1-CD2 4.33Å; Y42-F174 AromaticContact CE1-CE2 3.62Å; Y42-F174 HydrophobicContact CE1-CE2 3.62Å; Y42-F174 HydrophobicContact CE1-CZ 4.42Å; Y42-F203 AromaticContact CE2-CD1 3.81Å; Y42-F203 HydrophobicContact CE2-CD1 3.81Å; Y42-F203 AromaticContact CZ-CD1 3.86Å; Y42-F203 WeakPolarHBondContact OH-CD1 3.25Å; Y42-S206 WeakPolarHBondContact CE1-OG 3.33Å; Y42-S206 WeakPolarHBondContact OH-CB 3.38Å; Y42-S206 PolarHBondContact OH-OG 3.24Å; Y42-A207 HydrophobicContact CD1-CB 3.77Å; Y42-A207 HydrophobicContact CE1-CB 3.97Å; Y42-A207 HydrophobicContact CG-CB 4.1Å; Y42-E210 VanDerWaalsContact C-OE2 3.3Å; Y42-E210 WeakPolarHBondContact CA-OE2 3.41Å; Y42-E210 VanDerWaalsContact CB-OE2 3.27Å; Y42-E210 WeakPolarHBondContact CB-OE2 3.44Å; Y42-E210 HydrophobicContact CD1-CB 4.45Å; Y42-E210 VanDerWaalsContact CD1-OE2 3.24Å; Y42-E210 WeakPolarHBondContact CD1-OE2 3.2Å
43V90.6Very high88.3Confident4 Ų437 Ų372%0.02420%0.198CC..G310 helixtrans-60-40.2171.5-179.80000109.3L23 P41 A45 L46 F56 E210 W211 V214L23-V43 HydrophobicContact CD2-CG1 4.17Å; P41-V43 PolarHBondContact O-N 3Å; V43-A45 PolarHBondContact O-N 3.39Å; V43-A45 VanDerWaalsContact O-N 3.17Å; V43-L46 VanDerWaalsContact O-CB 3.28Å; V43-L46 WeakPolarHBondContact O-CB 3.35Å; V43-L46 WeakPolarHBondContact O-CG 3.35Å; V43-L46 PolarHBondContact O-N 3.46Å; V43-L46 VanDerWaalsContact O-N 3.08Å; V43-F56 HydrophobicContact CG1-CE2 3.75Å; V43-F56 HydrophobicContact CG1-CZ 4.06Å; V43-E210 HydrophobicContact CB-CG 4.43Å; V43-E210 PolarHBondContact N-OE2 2.82Å; V43-W211 HydrophobicContact CG2-CD2 3.46Å; V43-W211 VanDerWaalsContact CG2-CD2 3.46Å; V43-W211 HydrophobicContact CG2-CE3 3.85Å; V43-W211 HydrophobicContact CG2-CG 3.9Å; V43-W211 HydrophobicContact CG2-CH2 4.09Å; V43-W211 HydrophobicContact CG2-CZ2 3.72Å; V43-W211 HydrophobicContact CG2-CZ3 4.15Å; V43-V214 HydrophobicContact CB-CG2 4.2Å; V43-V214 HydrophobicContact CG1-CG1 4.45Å; V43-V214 HydrophobicContact CG1-CG2 4.14Å; V43-V214 HydrophobicContact CG2-CB 4.42Å; V43-V214 HydrophobicContact CG2-CG2 4.03Å
44S88.9Confident88.4Confident12 Ų1236.9 Ų36.98%0.08420%0.198CC..G310 helixtrans-61.3-22.2175.371.70000114Y42 L46 G47 E210Y42-S44 PolarHBondContact O-N 3.1Å; S44-L46 PolarHBondContact O-N 2.94Å; S44-G47 PolarHBondContact O-N 3.09Å; S44-E210 WeakPolarHBondContact CB-OE1 3.26Å; S44-E210 PolarHBondContact N-OE1 3.41Å
45A89.1Confident88.7Confident1 Ų133.6 Ų33.61%0.00818%0.18CC..G310 helixtrans-69.3-23.8177.100000112.4I36 Y42 V43 G47 I48 F191I36-A45 HydrophobicContact CG2-CB 3.88Å; Y42-A45 VanDerWaalsContact O-CB 3.27Å; Y42-A45 WeakPolarHBondContact O-CB 3.36Å; Y42-A45 PolarHBondContact O-N 3.38Å; V43-A45 PolarHBondContact O-N 3.39Å; V43-A45 VanDerWaalsContact O-N 3.17Å; A45-G47 PolarHBondContact O-N 2.66Å; A45-I48 HydrophobicContact CB-CD1 4.3Å; A45-I48 WeakPolarHBondContact O-CB 3.49Å; A45-I48 PolarHBondContact O-N 3.17Å; A45-F191 HydrophobicContact CB-CB 4.47Å
46L90.3Very high88.8Confident0 Ų031.9 Ų31.90%017%0.172CC..G310 helixtrans-64.7-19174.3-57.2178.5000112.7L23 T26 A30 I36 V43 S44 E52 K53 F56L23-L46 HydrophobicContact CD2-CD1 4.43Å; T26-L46 HydrophobicContact CG2-CB 3.87Å; T26-L46 HydrophobicContact CG2-CD1 4.08Å; T26-L46 HydrophobicContact CG2-CD2 4.21Å; T26-L46 HydrophobicContact CG2-CG 4.28Å; A30-L46 HydrophobicContact CB-CD2 3.98Å; I36-L46 HydrophobicContact CD1-CD2 3.54Å; V43-L46 VanDerWaalsContact O-CB 3.28Å; V43-L46 WeakPolarHBondContact O-CB 3.35Å; V43-L46 WeakPolarHBondContact O-CG 3.35Å; V43-L46 PolarHBondContact O-N 3.46Å; V43-L46 VanDerWaalsContact O-N 3.08Å; S44-L46 PolarHBondContact O-N 2.94Å; L46-E52 CarbonylContact O-C 3.58Å; L46-E52 WeakPolarHBondContact O-CG 3.46Å; L46-K53 WeakPolarHBondContact O-CA 3.18Å; L46-K53 PolarHBondContact O-N 2.98Å; L46-F56 HydrophobicContact CB-CB 4.33Å; L46-F56 HydrophobicContact CB-CD2 3.72Å; L46-F56 HydrophobicContact CB-CE2 4.23Å; L46-F56 HydrophobicContact CB-CG 4.05Å; L46-F56 HydrophobicContact CD1-CD2 4.27Å; L46-F56 HydrophobicContact CD1-CE2 4.45Å
47G87.5Confident89.1Confident7 Ų734.8 Ų34.87%0.07219%0.186CC..G310 helixtrans-86.43.4177.400000115.1S44 A45 K53S44-G47 PolarHBondContact O-N 3.09Å; A45-G47 PolarHBondContact O-N 2.66Å; G47-K53 WeakPolarHBondContact O-CD 3.33Å; G47-K53 VanDerWaalsContact O-CG 3.26Å; G47-K53 WeakPolarHBondContact O-CG 3.22Å
48I89Confident89.7Confident9 Ų937.5 Ų37.55%0.04620%0.202CC..THydrogen-bonded Turntrans-96.5-53.3-167.9-60.7177.9000112.7A45 K118 F191A45-I48 HydrophobicContact CB-CD1 4.3Å; A45-I48 WeakPolarHBondContact O-CB 3.49Å; A45-I48 PolarHBondContact O-N 3.17Å; I48-K118 HydrophobicContact CG2-CB 4.19Å; I48-K118 HydrophobicContact CG2-CD 3.94Å; I48-F191 HydrophobicContact CD1-CB 3.53Å; I48-F191 HydrophobicContact CD1-CD1 3.41Å; I48-F191 VanDerWaalsContact CD1-CD1 3.41Å; I48-F191 HydrophobicContact CD1-CD2 3.51Å; I48-F191 HydrophobicContact CD1-CE1 3.9Å; I48-F191 HydrophobicContact CD1-CE2 3.99Å; I48-F191 HydrophobicContact CD1-CG 3.18Å; I48-F191 HydrophobicContact CD1-CZ 4.16Å
49Y90.2Very high90.7Very high54 Ų5433.9 Ų33.921%0.21218%0.178CC..SBendtrans-108141-169.7-61-70.4000111.4H35 E52 K53 K118 D189H35-Y49 HydrophobicContact CB-CD2 3.93Å; H35-Y49 HydrophobicContact CB-CG 4.38Å; H35-Y49 WeakPolarHBondContact ND1-CB 3.48Å; Y49-E52 WeakPolarHBondContact CB-OE1 3.5Å; Y49-E52 VanDerWaalsContact O-CG 3.23Å; Y49-E52 WeakPolarHBondContact O-CG 3.38Å; Y49-E52 PolarHBondContact O-N 3.34Å; Y49-K53 VanDerWaalsContact O-CB 3.24Å; Y49-K53 WeakPolarHBondContact O-CB 3.45Å; Y49-K53 PolarHBondContact O-N 3.32Å; Y49-K118 PolarHBondContact OH-NZ 3.49Å; Y49-K118 VanDerWaalsContact OH-NZ 3.15Å; Y49-D189 PolarHBondContact OH-OD2 3.47Å; Y49-D189 VanDerWaalsContact OH-OD2 3.07Å
50P92.2Very high91.3Very high64 Ų6431.2 Ų31.242%0.41616%0.16SC..THydrogen-bonded Turntrans-74.3149.4171.4-2234.8000113.1H35 E52 Y54H35-P50 PolarHBondContact CE1-O 3.36Å; H35-P50 VanDerWaalsContact CE1-O 3.28Å; P50-E52 VanDerWaalsContact C-OE2 3.28Å; P50-Y54 HydrophobicContact CB-CD2 4.29Å; P50-Y54 HydrophobicContact CB-CE2 3.84Å; P50-Y54 HydrophobicContact CG-CE2 4.09Å
51P94.3Very high91.7Very high45 Ų4530.5 Ų30.529%0.29216%0.157SC..THydrogen-bonded Turncis-87.4-13.76.435.4-36.5000114I29 R33 K53 Y54 M55I29-P51 HydrophobicContact CG2-CG 3.89Å; R33-P51 VanDerWaalsContact CZ-CD 3.47Å; R33-P51 VanDerWaalsContact NE-CD 3.31Å; P51-K53 PolarHBondContact O-N 3.14Å; P51-Y54 PolarHBondContact O-N 3.03Å; P51-M55 PolarHBondContact O-N 3.17Å
52E91Very high92.1Very high0 Ų031.5 Ų31.50%016%0.164CC..Hα-helixtrans-61.1-30.2-174.269.6-86.7-162.700112.6T26 A30 H35 L46 Y49 P50 Y54 M55 F56T26-E52 HydrophobicContact CG2-CB 3.68Å; A30-E52 HydrophobicContact CB-CB 4.39Å; A30-E52 HydrophobicContact CB-CG 3.92Å; H35-E52 WeakPolarHBondContact CB-OE1 3.32Å; H35-E52 IonicContact CE1-OE1 3.75Å; H35-E52 IonicContact CE1-OE2 3.86Å; H35-E52 IonicContact CG-OE1 3.55Å; H35-E52 VanDerWaalsContact ND1-CD 3.35Å; H35-E52 IonicContact ND1-OE1 2.66Å; H35-E52 PolarHBondContact ND1-OE1 3.45Å; H35-E52 IonicContact ND1-OE2 3.29Å; H35-E52 PolarHBondContact ND1-OE2 3.36Å; L46-E52 CarbonylContact O-C 3.58Å; L46-E52 WeakPolarHBondContact O-CG 3.46Å; Y49-E52 WeakPolarHBondContact CB-OE1 3.5Å; Y49-E52 VanDerWaalsContact O-CG 3.23Å; Y49-E52 WeakPolarHBondContact O-CG 3.38Å; Y49-E52 PolarHBondContact O-N 3.34Å; P50-E52 VanDerWaalsContact C-OE2 3.28Å; E52-Y54 VanDerWaalsContact C-N 3.27Å; E52-Y54 PolarHBondContact O-N 3.36Å; E52-M55 CarbonylContact O-C 3.37Å; E52-M55 WeakPolarHBondContact O-CB 3.42Å; E52-M55 PolarHBondContact O-N 3.37Å; E52-M55 VanDerWaalsContact O-N 3.08Å; E52-F56 WeakPolarHBondContact O-CB 3.44Å; E52-F56 PolarHBondContact O-N 3.34Å
53K92Very high92.5Very high56 Ų5631.6 Ų31.624%0.24317%0.165CC..Hα-helixtrans-51.7-45.2171.8170.8170.2-175.5173.70112.4L46 G47 Y49 P51 F56 M57 N116L46-K53 WeakPolarHBondContact O-CA 3.18Å; L46-K53 PolarHBondContact O-N 2.98Å; G47-K53 WeakPolarHBondContact O-CD 3.33Å; G47-K53 VanDerWaalsContact O-CG 3.26Å; G47-K53 WeakPolarHBondContact O-CG 3.22Å; Y49-K53 VanDerWaalsContact O-CB 3.24Å; Y49-K53 WeakPolarHBondContact O-CB 3.45Å; Y49-K53 PolarHBondContact O-N 3.32Å; P51-K53 PolarHBondContact O-N 3.14Å; K53-F56 PolarHBondContact O-N 3.38Å; K53-M57 WeakPolarHBondContact O-CB 3.37Å; K53-M57 PolarHBondContact O-N 3.13Å; K53-N116 PolarHBondContact NZ-ND2 3.13Å
54Y94Very high92.8Very high136 Ų13631.4 Ų31.453%0.53316%0.163SC..Hα-helixtrans-73.6-34.8-179.6-58.7-62.7000111.6P50 P51 E52 M57 V58P50-Y54 HydrophobicContact CB-CD2 4.29Å; P50-Y54 HydrophobicContact CB-CE2 3.84Å; P50-Y54 HydrophobicContact CG-CE2 4.09Å; P51-Y54 PolarHBondContact O-N 3.03Å; E52-Y54 VanDerWaalsContact C-N 3.27Å; E52-Y54 PolarHBondContact O-N 3.36Å; Y54-M57 HydrophobicContact CD1-CE 4.22Å; Y54-M57 PolarHBondContact O-N 2.97Å; Y54-V58 WeakPolarHBondContact O-CG2 3.24Å; Y54-V58 PolarHBondContact O-N 3.04Å
55M94.2Very high93.2Very high31 Ų3135 Ų3515%0.15318%0.181CC..Hα-helixtrans-65-43.3173.4-62.8172.565.200111.3W22 T25 T26 I29 P51 E52 V58 L59W22-M55 HydrophobicContact CE3-CB 4.24Å; W22-M55 HydrophobicContact CE3-CE 3.76Å; W22-M55 HydrophobicContact CZ3-CB 4.12Å; W22-M55 HydrophobicContact CZ3-CE 3.53Å; W22-M55 HydrophobicContact CZ3-CG 4.06Å; T25-M55 HydrophobicContact CG2-CE 3.72Å; T26-M55 HydrophobicContact CG2-CB 4.38Å; I29-M55 HydrophobicContact CD1-CE 3.53Å; I29-M55 HydrophobicContact CD1-SD 3.48Å; I29-M55 WeakPolarHBondContact CD1-SD 3.48Å; P51-M55 PolarHBondContact O-N 3.17Å; E52-M55 CarbonylContact O-C 3.37Å; E52-M55 WeakPolarHBondContact O-CB 3.42Å; E52-M55 PolarHBondContact O-N 3.37Å; E52-M55 VanDerWaalsContact O-N 3.08Å; M55-V58 PolarHBondContact O-N 2.76Å; M55-L59 VanDerWaalsContact O-CB 3.27Å; M55-L59 WeakPolarHBondContact O-CB 3.24Å; M55-L59 PolarHBondContact O-N 3.26Å
56F92Very high93.6Very high10 Ų1036.1 Ų36.14%0.04419%0.186CC..Hα-helixtrans-64.4-40.7176.6-171.4-105000111.4T26 V43 L46 E52 K53 L59 M60T26-F56 HydrophobicContact CG2-CB 4.24Å; V43-F56 HydrophobicContact CG1-CE2 3.75Å; V43-F56 HydrophobicContact CG1-CZ 4.06Å; L46-F56 HydrophobicContact CB-CB 4.33Å; L46-F56 HydrophobicContact CB-CD2 3.72Å; L46-F56 HydrophobicContact CB-CE2 4.23Å; L46-F56 HydrophobicContact CB-CG 4.05Å; L46-F56 HydrophobicContact CD1-CD2 4.27Å; L46-F56 HydrophobicContact CD1-CE2 4.45Å; E52-F56 WeakPolarHBondContact O-CB 3.44Å; E52-F56 PolarHBondContact O-N 3.34Å; K53-F56 PolarHBondContact O-N 3.38Å; F56-L59 HydrophobicContact CD2-CD2 4.29Å; F56-L59 WeakPolarHBondContact O-CB 3.04Å; F56-L59 PolarHBondContact O-N 2.94Å; F56-M60 HydrophobicContact CD1-CG 4.07Å; F56-M60 HydrophobicContact CD2-CG 4.27Å; F56-M60 HydrophobicContact CE1-CG 3.67Å; F56-M60 HydrophobicContact CE2-CG 3.88Å; F56-M60 HydrophobicContact CE2-SD 4.23Å; F56-M60 HydrophobicContact CG-CG 4.37Å; F56-M60 HydrophobicContact CZ-CE 4.4Å; F56-M60 HydrophobicContact CZ-CG 3.56Å; F56-M60 HydrophobicContact CZ-SD 3.96Å; F56-M60 WeakPolarHBondContact O-CB 3.36Å; F56-M60 WeakPolarHBondContact O-CG 3.24Å; F56-M60 PolarHBondContact O-N 3.45Å
57M93.7Very high93.9Very high61 Ų6136.8 Ų36.830%0.319%0.192SC..Hα-helixtrans-61-47.5173.4-179.2177.474.300111.7K53 Y54 L59 S61 S113 F114K53-M57 WeakPolarHBondContact O-CB 3.37Å; K53-M57 PolarHBondContact O-N 3.13Å; Y54-M57 HydrophobicContact CD1-CE 4.22Å; Y54-M57 PolarHBondContact O-N 2.97Å; M57-L59 VanDerWaalsContact C-N 3.34Å; M57-S61 VanDerWaalsContact O-CB 3.28Å; M57-S61 WeakPolarHBondContact O-CB 3.39Å; M57-S61 PolarHBondContact O-N 3.09Å; M57-S61 PolarHBondContact O-OG 2.99Å; M57-S113 VanDerWaalsContact CG-O 3.29Å; M57-S113 WeakPolarHBondContact CG-O 3.3Å; M57-F114 HydrophobicContact CG-CD1 4.4Å; M57-F114 HydrophobicContact CG-CE1 4.34Å; M57-F114 HydrophobicContact SD-CD1 4.03Å; M57-F114 HydrophobicContact SD-CE1 4.13Å
58V94.6Very high94.4Very high70 Ų7036.7 Ų36.742%0.42419%0.19SC..Hα-helixtrans-61.6-44.8175.7170.70000110.7Y54 M55 S61 S62Y54-V58 WeakPolarHBondContact O-CG2 3.24Å; Y54-V58 PolarHBondContact O-N 3.04Å; M55-V58 PolarHBondContact O-N 2.76Å; V58-S61 PolarHBondContact O-OG 3.48Å; V58-S62 WeakPolarHBondContact O-CB 3.47Å; V58-S62 PolarHBondContact O-N 3.24Å; V58-S62 PolarHBondContact O-OG 3.09Å
59L94.8Very high94.9Very high3 Ų338.7 Ų38.72%0.01620%0.202CC..Hα-helixtrans-55.7-58.9176.7164.856.7000111.6W22 L23 M55 F56 M57 S62 Y63W22-L59 HydrophobicContact CB-CB 3.97Å; W22-L59 HydrophobicContact CB-CD1 3.71Å; W22-L59 HydrophobicContact CB-CD2 3.83Å; W22-L59 HydrophobicContact CB-CG 4.02Å; W22-L59 HydrophobicContact CG-CB 4.35Å; W22-L59 HydrophobicContact CG-CD1 4.36Å; L23-L59 HydrophobicContact CD2-CD2 3.63Å; L23-L59 HydrophobicContact CG-CD2 3.75Å; M55-L59 VanDerWaalsContact O-CB 3.27Å; M55-L59 WeakPolarHBondContact O-CB 3.24Å; M55-L59 PolarHBondContact O-N 3.26Å; F56-L59 HydrophobicContact CD2-CD2 4.29Å; F56-L59 WeakPolarHBondContact O-CB 3.04Å; F56-L59 PolarHBondContact O-N 2.94Å; M57-L59 VanDerWaalsContact C-N 3.34Å; L59-S62 PolarHBondContact O-OG 3.34Å; L59-Y63 WeakPolarHBondContact O-CB 3.47Å; L59-Y63 PolarHBondContact O-N 2.98Å
60M93.8Very high95.2Very high33 Ų3336.1 Ų36.116%0.16319%0.192CC..Hα-helixtrans-67-41.2-172.9-72.2-66.6-76.100111.7F56 G64 I109 L112F56-M60 HydrophobicContact CD1-CG 4.07Å; F56-M60 HydrophobicContact CD2-CG 4.27Å; F56-M60 HydrophobicContact CE1-CG 3.67Å; F56-M60 HydrophobicContact CE2-CG 3.88Å; F56-M60 HydrophobicContact CE2-SD 4.23Å; F56-M60 HydrophobicContact CG-CG 4.37Å; F56-M60 HydrophobicContact CZ-CE 4.4Å; F56-M60 HydrophobicContact CZ-CG 3.56Å; F56-M60 HydrophobicContact CZ-SD 3.96Å; F56-M60 WeakPolarHBondContact O-CB 3.36Å; F56-M60 WeakPolarHBondContact O-CG 3.24Å; F56-M60 PolarHBondContact O-N 3.45Å; M60-G64 WeakPolarHBondContact O-CA 3.46Å; M60-G64 PolarHBondContact O-N 3.42Å; M60-I109 HydrophobicContact CE-CG2 3.78Å; M60-I109 HydrophobicContact SD-CG2 4.36Å; M60-L112 HydrophobicContact CE-CB 4.24Å; M60-L112 HydrophobicContact CE-CD1 4.48Å
61S95.9Very high95.5Very high24 Ų2433.2 Ų33.217%0.16817%0.173CC..Hα-helixtrans-66.2-50.4178.257.70000111.9M57 V58 G64 I65M57-S61 VanDerWaalsContact O-CB 3.28Å; M57-S61 WeakPolarHBondContact O-CB 3.39Å; M57-S61 PolarHBondContact O-N 3.09Å; M57-S61 PolarHBondContact O-OG 2.99Å; V58-S61 PolarHBondContact O-OG 3.48Å; S61-G64 PolarHBondContact O-N 3.24Å; S61-I65 WeakPolarHBondContact O-CD1 3.31Å; S61-I65 VanDerWaalsContact O-CG1 3.24Å; S61-I65 WeakPolarHBondContact O-CG1 3.32Å; S61-I65 PolarHBondContact O-N 2.86Å
62S97.2Very high95.6Very high29 Ų2936.2 Ų36.220%0.20318%0.179CC..Hα-helixtrans-70.9-40.6-177.973.30000111.8H18 V58 L59 I65 M66H18-S62 PolarHBondContact CE1-OG 3.05Å; H18-S62 PolarHBondContact NE2-OG 3.35Å; H18-S62 VanDerWaalsContact NE2-OG 3.16Å; V58-S62 WeakPolarHBondContact O-CB 3.47Å; V58-S62 PolarHBondContact O-N 3.24Å; V58-S62 PolarHBondContact O-OG 3.09Å; L59-S62 PolarHBondContact O-OG 3.34Å; S62-I65 PolarHBondContact O-N 3.34Å; S62-M66 WeakPolarHBondContact O-CB 3.42Å; S62-M66 WeakPolarHBondContact O-CE 3Å; S62-M66 VanDerWaalsContact O-CG 3.27Å; S62-M66 WeakPolarHBondContact O-CG 3.46Å; S62-M66 PolarHBondContact O-N 2.89Å
63Y97.4Very high95.9Very high14 Ų1437.2 Ų37.26%0.05518%0.184CC..Hα-helixtrans-59.5-48.7172.5173.9-100.3000111.1A15 A19 L59 I65 M66 A67 I109 C217 A218 T221A15-Y63 HydrophobicContact CB-CD2 4.2Å; A15-Y63 HydrophobicContact CB-CE2 4.39Å; A15-Y63 WeakPolarHBondContact O-CD2 3.42Å; A19-Y63 HydrophobicContact CB-CD2 3.95Å; A19-Y63 HydrophobicContact CB-CE2 4.09Å; L59-Y63 WeakPolarHBondContact O-CB 3.47Å; L59-Y63 PolarHBondContact O-N 2.98Å; Y63-I65 VanDerWaalsContact C-N 3.34Å; Y63-I65 PolarHBondContact O-N 3.33Å; Y63-M66 PolarHBondContact O-N 2.97Å; Y63-A67 HydrophobicContact CE1-CB 4.41Å; Y63-A67 VanDerWaalsContact O-CB 3.26Å; Y63-A67 WeakPolarHBondContact O-CB 3.21Å; Y63-A67 PolarHBondContact O-N 3.28Å; Y63-I109 HydrophobicContact CD1-CG2 4.22Å; Y63-I109 HydrophobicContact CE1-CD1 4.29Å; Y63-C217 PolarHBondContact OH-O 2.93Å; Y63-A218 WeakPolarHBondContact OH-CA 3.48Å; Y63-A218 PolarHBondContact OH-N 3.29Å; Y63-T221 HydrophobicContact CE2-CG2 4.28Å; Y63-T221 PolarHBondContact OH-OG1 3.3Å
64G96.5Very high96.2Very high0 Ų034.5 Ų34.50%017%0.172CC..Hα-helixtrans-57.6-44.7178.700000112.3M60 S61 T68M60-G64 WeakPolarHBondContact O-CA 3.46Å; M60-G64 PolarHBondContact O-N 3.42Å; S61-G64 PolarHBondContact O-N 3.24Å; G64-T68 VanDerWaalsContact O-CB 3.31Å; G64-T68 WeakPolarHBondContact O-CB 3.31Å; G64-T68 PolarHBondContact O-N 2.87Å; G64-T68 PolarHBondContact O-OG1 3.23Å
65I98.1Very high96.3Very high89 Ų8928.4 Ų28.446%0.45615%0.149SC..Hα-helixtrans-61.4-52.1175.3-68.6165.1000110.7S61 S62 Y63 A67 T68 V69 I110S61-I65 WeakPolarHBondContact O-CD1 3.31Å; S61-I65 VanDerWaalsContact O-CG1 3.24Å; S61-I65 WeakPolarHBondContact O-CG1 3.32Å; S61-I65 PolarHBondContact O-N 2.86Å; S62-I65 PolarHBondContact O-N 3.34Å; Y63-I65 VanDerWaalsContact C-N 3.34Å; Y63-I65 PolarHBondContact O-N 3.33Å; I65-A67 PolarHBondContact O-N 3.5Å; I65-T68 PolarHBondContact O-N 3.3Å; I65-V69 HydrophobicContact CG2-CG2 4.42Å; I65-V69 WeakPolarHBondContact O-CG2 3.49Å; I65-V69 PolarHBondContact O-N 3.17Å; I65-I110 HydrophobicContact CG1-CD1 3.64Å; I65-I110 HydrophobicContact CG1-CG1 4.17Å
66M98Very high96.4Very high23 Ų2335.5 Ų35.511%0.11317%0.174CC..Hα-helixtrans-63.9-41.1-176.8-67.9-176.6-70.100112.2L11 F14 A15 H18 S62 Y63 S70L11-M66 HydrophobicContact CD1-CB 4.27Å; L11-M66 HydrophobicContact CD1-CG 4.09Å; L11-M66 HydrophobicContact CD1-SD 4.46Å; F14-M66 HydrophobicContact CD1-CE 4.32Å; F14-M66 HydrophobicContact CD1-SD 3.46Å; F14-M66 WeakPolarHBondContact CD1-SD 3.46Å; F14-M66 HydrophobicContact CE1-CE 4.29Å; F14-M66 HydrophobicContact CE1-SD 3.68Å; A15-M66 HydrophobicContact CB-CB 3.68Å; A15-M66 HydrophobicContact CB-CE 4.08Å; A15-M66 HydrophobicContact CB-SD 4.3Å; H18-M66 HydrophobicContact CB-CE 4.03Å; S62-M66 WeakPolarHBondContact O-CB 3.42Å; S62-M66 WeakPolarHBondContact O-CE 3Å; S62-M66 VanDerWaalsContact O-CG 3.27Å; S62-M66 WeakPolarHBondContact O-CG 3.46Å; S62-M66 PolarHBondContact O-N 2.89Å; Y63-M66 PolarHBondContact O-N 2.97Å; M66-S70 VanDerWaalsContact O-CB 3.26Å; M66-S70 WeakPolarHBondContact O-CB 3.31Å; M66-S70 PolarHBondContact O-N 2.72Å; M66-S70 PolarHBondContact O-OG 3.41Å
67A96.5Very high96.5Very high14 Ų1437.3 Ų37.312%0.11618%0.182CC..Hα-helixtrans-63.8-44.1176.200000111.3Y63 I65 S70 Q71Y63-A67 HydrophobicContact CE1-CB 4.41Å; Y63-A67 VanDerWaalsContact O-CB 3.26Å; Y63-A67 WeakPolarHBondContact O-CB 3.21Å; Y63-A67 PolarHBondContact O-N 3.28Å; I65-A67 PolarHBondContact O-N 3.5Å; A67-S70 WeakPolarHBondContact O-CB 3.39Å; A67-S70 PolarHBondContact O-N 3.44Å; A67-Q71 WeakPolarHBondContact O-CB 3.44Å; A67-Q71 PolarHBondContact O-N 2.92Å
68T97.9Very high96.4Very high6 Ų634.4 Ų34.44%0.03717%0.168CC..Hα-helixtrans-60.7-50177.3-55.40000111.3G64 I65 S70 Q71 W72 G106G64-T68 VanDerWaalsContact O-CB 3.31Å; G64-T68 WeakPolarHBondContact O-CB 3.31Å; G64-T68 PolarHBondContact O-N 2.87Å; G64-T68 PolarHBondContact O-OG1 3.23Å; I65-T68 PolarHBondContact O-N 3.3Å; T68-S70 VanDerWaalsContact C-N 3.33Å; T68-S70 PolarHBondContact O-N 3.38Å; T68-Q71 PolarHBondContact O-N 3.45Å; T68-W72 HydrophobicContact CG2-CD2 4.34Å; T68-W72 HydrophobicContact CG2-CH2 4.46Å; T68-W72 HydrophobicContact CG2-CZ2 3.72Å; T68-W72 PolarHBondContact O-N 2.89Å; T68-G106 VanDerWaalsContact OG1-CA 3.24Å; T68-G106 WeakPolarHBondContact OG1-CA 3.24Å
69V98.1Very high96.4Very high50 Ų5031.7 Ų31.730%0.30315%0.154SC..Hα-helixtrans-63.4-40.8178.6174.60000110.9L11 I65 Q71 W72 I73L11-V69 HydrophobicContact CD2-CB 4.04Å; L11-V69 HydrophobicContact CD2-CG1 3.61Å; I65-V69 HydrophobicContact CG2-CG2 4.42Å; I65-V69 WeakPolarHBondContact O-CG2 3.49Å; I65-V69 PolarHBondContact O-N 3.17Å; V69-Q71 VanDerWaalsContact C-N 3.28Å; V69-Q71 PolarHBondContact O-N 2.89Å; V69-W72 HydrophobicContact CG2-CE3 4.39Å; V69-W72 HydrophobicContact CG2-CZ3 4.5Å; V69-W72 WeakPolarHBondContact O-CB 3.31Å; V69-W72 PolarHBondContact O-N 2.7Å; V69-W72 VanDerWaalsContact O-N 3.17Å; V69-I73 HydrophobicContact CG1-CD1 3.9Å; V69-I73 HydrophobicContact CG1-CG1 4.48Å; V69-I73 WeakPolarHBondContact O-CD1 3.43Å; V69-I73 VanDerWaalsContact O-CG1 3.31Å; V69-I73 WeakPolarHBondContact O-CG1 3.31Å; V69-I73 PolarHBondContact O-N 2.79Å
70S97.9Very high96.2Very high1 Ų136.1 Ų36.11%0.00718%0.177CC..Hα-helixtrans-59.3-41.5175.8-60.20000111.8L11 P12 M66 A67 T68 I73 W74L11-S70 WeakPolarHBondContact CG-OG 3.47Å; P12-S70 WeakPolarHBondContact CA-OG 3.5Å; P12-S70 WeakPolarHBondContact CB-OG 3.31Å; P12-S70 VanDerWaalsContact CD-OG 3.24Å; P12-S70 WeakPolarHBondContact CD-OG 3.44Å; M66-S70 VanDerWaalsContact O-CB 3.26Å; M66-S70 WeakPolarHBondContact O-CB 3.31Å; M66-S70 PolarHBondContact O-N 2.72Å; M66-S70 PolarHBondContact O-OG 3.41Å; A67-S70 WeakPolarHBondContact O-CB 3.39Å; A67-S70 PolarHBondContact O-N 3.44Å; T68-S70 VanDerWaalsContact C-N 3.33Å; T68-S70 PolarHBondContact O-N 3.38Å; S70-I73 PolarHBondContact O-N 2.91Å; S70-W74 WeakPolarHBondContact O-CB 3.21Å; S70-W74 PolarHBondContact O-N 3.45Å
71Q96.9Very high96Very high3 Ų335.7 Ų35.71%0.01418%0.175CC..Hα-helixtrans-68.9-36176.5-177.558.848.700112.5A67 T68 V69 I73 W74 C75 M102A67-Q71 WeakPolarHBondContact O-CB 3.44Å; A67-Q71 PolarHBondContact O-N 2.92Å; T68-Q71 PolarHBondContact O-N 3.45Å; V69-Q71 VanDerWaalsContact C-N 3.28Å; V69-Q71 PolarHBondContact O-N 2.89Å; Q71-I73 VanDerWaalsContact C-N 3.35Å; Q71-W74 VanDerWaalsContact NE2-CE3 3.26Å; Q71-W74 PolarHBondContact O-N 3.25Å; Q71-C75 PolarHBondContact NE2-SG 3.48Å; Q71-C75 WeakPolarHBondContact O-CB 3.34Å; Q71-C75 PolarHBondContact O-N 2.81Å; Q71-C75 PolarHBondContact O-SG 2.89Å; Q71-C75 VanDerWaalsContact O-SG 3.42Å; Q71-M102 HydrophobicContact CB-CB 4.46Å; Q71-M102 HydrophobicContact CG-CB 3.48Å; Q71-M102 VanDerWaalsContact CG-CB 3.48Å; Q71-M102 HydrophobicContact CG-CE 4.12Å; Q71-M102 HydrophobicContact CG-CG 3.75Å
72W98.2Very high95.8Very high108 Ų10834.6 Ų34.641%0.40917%0.167SC..Hα-helixtrans-62.3-43.8172.5-66.1-9.7000111.8T68 V69 W74 C75 W76 F99 T103T68-W72 HydrophobicContact CG2-CD2 4.34Å; T68-W72 HydrophobicContact CG2-CH2 4.46Å; T68-W72 HydrophobicContact CG2-CZ2 3.72Å; T68-W72 PolarHBondContact O-N 2.89Å; V69-W72 HydrophobicContact CG2-CE3 4.39Å; V69-W72 HydrophobicContact CG2-CZ3 4.5Å; V69-W72 WeakPolarHBondContact O-CB 3.31Å; V69-W72 PolarHBondContact O-N 2.7Å; V69-W72 VanDerWaalsContact O-N 3.17Å; W72-W74 VanDerWaalsContact C-N 3.33Å; W72-W74 PolarHBondContact O-N 2.68Å; W72-C75 PolarHBondContact O-N 3.49Å; W72-W76 WeakPolarHBondContact O-CB 3.4Å; W72-W76 PolarHBondContact O-N 2.96Å; W72-F99 HydrophobicContact CB-CE2 4.22Å; W72-F99 AromaticContact CD1-CD2 3.76Å; W72-F99 AromaticContact CD1-CE2 3.25Å; W72-F99 AromaticContact CD1-CZ 3.99Å; W72-F99 HydrophobicContact CD2-CE2 4.38Å; W72-F99 HydrophobicContact CG-CD2 4.47Å; W72-F99 AromaticContact CG-CE2 3.72Å; W72-F99 HydrophobicContact CG-CE2 3.72Å; W72-F99 HydrophobicContact CG-CZ 4.48Å; W72-F99 AromaticContact NE1-CE2 3.64Å; W72-F99 AromaticContact NE1-CZ 3.91Å; W72-T103 HydrophobicContact CZ2-CG2 3.99Å; W72-T103 PolarHBondContact NE1-OG1 3.08Å
73I97Very high95.4Very high20 Ų2037.3 Ų37.310%0.10318%0.182CC..Hα-helixtrans-64.1-41.4176.3-62.5156.5000110.6W8 L11 V69 S70 Q71 W76 K77 L228W8-I73 HydrophobicContact CB-CG2 3.71Å; W8-I73 HydrophobicContact CD2-CD1 4.39Å; W8-I73 HydrophobicContact CD2-CG2 4.02Å; W8-I73 HydrophobicContact CE3-CD1 3.5Å; W8-I73 VanDerWaalsContact CE3-CD1 3.5Å; W8-I73 HydrophobicContact CE3-CG1 4.06Å; W8-I73 HydrophobicContact CE3-CG2 4.2Å; W8-I73 HydrophobicContact CG-CG2 3.83Å; W8-I73 HydrophobicContact CZ3-CD1 3.98Å; W8-I73 HydrophobicContact CZ3-CG1 4.45Å; L11-I73 HydrophobicContact CD2-CD1 3.92Å; V69-I73 HydrophobicContact CG1-CD1 3.9Å; V69-I73 HydrophobicContact CG1-CG1 4.48Å; V69-I73 WeakPolarHBondContact O-CD1 3.43Å; V69-I73 VanDerWaalsContact O-CG1 3.31Å; V69-I73 WeakPolarHBondContact O-CG1 3.31Å; V69-I73 PolarHBondContact O-N 2.79Å; S70-I73 PolarHBondContact O-N 2.91Å; Q71-I73 VanDerWaalsContact C-N 3.35Å; I73-W76 WeakPolarHBondContact O-CB 3.45Å; I73-W76 PolarHBondContact O-N 3.43Å; I73-K77 HydrophobicContact CG2-CG 4.31Å; I73-K77 WeakPolarHBondContact O-CG 3.2Å; I73-K77 PolarHBondContact O-N 3.06Å; I73-L228 HydrophobicContact CG2-CD1 4.44Å; I73-L228 HydrophobicContact CG2-CD2 4.12Å
74W97.2Very high94.8Very high0 Ų043.4 Ų43.40%021%0.209CC..Hα-helixtrans-58.9-48.2174-174.798.5000111.5S70 Q71 W72 W76 K77 A78 L95 V98 V145 I146 I224 E227 L228 F231S70-W74 WeakPolarHBondContact O-CB 3.21Å; S70-W74 PolarHBondContact O-N 3.45Å; Q71-W74 VanDerWaalsContact NE2-CE3 3.26Å; Q71-W74 PolarHBondContact O-N 3.25Å; W72-W74 VanDerWaalsContact C-N 3.33Å; W72-W74 PolarHBondContact O-N 2.68Å; W74-W76 VanDerWaalsContact C-N 3.32Å; W74-W76 PolarHBondContact O-N 3.35Å; W74-K77 PolarHBondContact O-N 3.37Å; W74-A78 HydrophobicContact CE3-CB 4.33Å; W74-A78 HydrophobicContact CH2-CB 4.44Å; W74-A78 HydrophobicContact CZ3-CB 4.24Å; W74-A78 WeakPolarHBondContact O-CB 3.5Å; W74-A78 PolarHBondContact O-N 3.01Å; W74-L95 HydrophobicContact CE3-CD1 4.41Å; W74-L95 HydrophobicContact CZ3-CD1 3.81Å; W74-V98 HydrophobicContact CZ3-CG1 4.22Å; W74-V145 HydrophobicContact CH2-CB 3.95Å; W74-V145 HydrophobicContact CH2-CG1 3.7Å; W74-V145 HydrophobicContact CZ2-CG1 4.48Å; W74-V145 HydrophobicContact CZ3-CG1 4.32Å; W74-I146 HydrophobicContact CZ2-CD1 4.36Å; W74-I224 HydrophobicContact CB-CG2 4.11Å; W74-I224 HydrophobicContact CG-CG2 4.36Å; W74-E227 PolarHBondContact NE1-OE2 3.26Å; W74-L228 HydrophobicContact CB-CD2 4.14Å; W74-L228 HydrophobicContact CB-CG 4.4Å; W74-F231 AromaticContact CD1-CE2 3.83Å; W74-F231 HydrophobicContact CD2-CE2 4.44Å; W74-F231 AromaticContact CE2-CE2 3.98Å; W74-F231 HydrophobicContact CG-CE2 4.35Å; W74-F231 HydrophobicContact CZ2-CZ 4.45Å; W74-F231 AromaticContact NE1-CE2 3.58Å; W74-F231 AromaticContact NE1-CZ 3.99Å
75C97.3Very high94.2Very high8 Ų847.4 Ų47.45%0.05423%0.23CC..Hα-helixtrans-61-43.1178.2-75.60000111.4Q71 W72 G79 L95 F99Q71-C75 PolarHBondContact NE2-SG 3.48Å; Q71-C75 WeakPolarHBondContact O-CB 3.34Å; Q71-C75 PolarHBondContact O-N 2.81Å; Q71-C75 PolarHBondContact O-SG 2.89Å; Q71-C75 VanDerWaalsContact O-SG 3.42Å; W72-C75 PolarHBondContact O-N 3.49Å; C75-G79 PolarHBondContact O-N 3.42Å; C75-L95 HydrophobicContact CB-CD1 4.1Å; C75-L95 WeakPolarHBondContact O-CD2 3.45Å; C75-F99 HydrophobicContact CB-CB 4.44Å; C75-F99 HydrophobicContact CB-CD2 4.08Å
76W95.2Very high93.3Very high179 Ų17954.3 Ų54.368%0.67825%0.25SS*.Hα-helixtrans-56.3-56.8174-178.5-35.9000110.6W72 I73 W74 A78 G79 L80W72-W76 WeakPolarHBondContact O-CB 3.4Å; W72-W76 PolarHBondContact O-N 2.96Å; I73-W76 WeakPolarHBondContact O-CB 3.45Å; I73-W76 PolarHBondContact O-N 3.43Å; W74-W76 VanDerWaalsContact C-N 3.32Å; W74-W76 PolarHBondContact O-N 3.35Å; W76-A78 VanDerWaalsContact C-N 3.34Å; W76-A78 PolarHBondContact O-N 2.89Å; W76-G79 WeakPolarHBondContact O-CA 3.35Å; W76-G79 PolarHBondContact O-N 3.15Å; W76-L80 VanDerWaalsContact CD1-CD1 3.49Å; W76-L80 VanDerWaalsContact NE1-CD1 3.31Å; W76-L80 PolarHBondContact O-N 3.49Å
77K93.5Very high92.2Very high49 Ų4959.6 Ų59.621%0.21327%0.269CS..Hα-helixtrans-61.5-42.7-175-72.3-70.6-173176.30111.8I73 W74 L80 Q81 L228 F231I73-K77 HydrophobicContact CG2-CG 4.31Å; I73-K77 WeakPolarHBondContact O-CG 3.2Å; I73-K77 PolarHBondContact O-N 3.06Å; W74-K77 PolarHBondContact O-N 3.37Å; K77-L80 PolarHBondContact O-N 3.29Å; K77-Q81 WeakPolarHBondContact O-CG 3.43Å; K77-Q81 PolarHBondContact O-N 3.5Å; K77-Q81 VanDerWaalsContact O-N 3.11Å; K77-L228 HydrophobicContact CB-CD2 4.32Å; K77-L228 HydrophobicContact CG-CD2 4.14Å; K77-F231 HydrophobicContact CB-CD2 3.83Å; K77-F231 HydrophobicContact CB-CE2 4.47Å
78A93.4Very high91.6Very high0 Ų061.9 Ų61.90%028%0.284CS..Hα-helixtrans-58.7-47.5172.200000110.8W74 W76 L80 Q81 I82 L95 V145 L149 F231W74-A78 HydrophobicContact CE3-CB 4.33Å; W74-A78 HydrophobicContact CH2-CB 4.44Å; W74-A78 HydrophobicContact CZ3-CB 4.24Å; W74-A78 WeakPolarHBondContact O-CB 3.5Å; W74-A78 PolarHBondContact O-N 3.01Å; W76-A78 VanDerWaalsContact C-N 3.34Å; W76-A78 PolarHBondContact O-N 2.89Å; A78-L80 VanDerWaalsContact C-N 3.34Å; A78-L80 PolarHBondContact O-N 3.35Å; A78-Q81 PolarHBondContact O-N 2.79Å; A78-I82 VanDerWaalsContact O-CG1 3.25Å; A78-I82 WeakPolarHBondContact O-CG1 3.38Å; A78-I82 PolarHBondContact O-N 3.39Å; A78-L95 HydrophobicContact CB-CD1 3.96Å; A78-V145 HydrophobicContact CB-CG1 4.13Å; A78-L149 HydrophobicContact CB-CD1 3.8Å; A78-F231 HydrophobicContact CB-CE2 4.21Å; A78-F231 HydrophobicContact CB-CZ 4.32Å
79G93.6Very high91.2Very high12 Ų1268.4 Ų68.412%0.12432%0.317CS..Hα-helixtrans-56.1-43.8177.100000113.7C75 W76 Q81 I82 T83 L95C75-G79 PolarHBondContact O-N 3.42Å; W76-G79 WeakPolarHBondContact O-CA 3.35Å; W76-G79 PolarHBondContact O-N 3.15Å; G79-Q81 PolarHBondContact O-N 3.42Å; G79-I82 PolarHBondContact O-N 3.04Å; G79-T83 PolarHBondContact O-N 2.87Å; G79-T83 PolarHBondContact O-OG1 2.95Å; G79-T83 VanDerWaalsContact O-OG1 3.09Å; G79-L95 VanDerWaalsContact CA-CD2 3.46Å
80L90.8Very high90.9Very high97 Ų9771.2 Ų71.251%0.50833%0.329SS..Hα-helixtrans-61.6-42.1174.4-71.5179.4000112.2W76 K77 A78 T83 K84W76-L80 VanDerWaalsContact CD1-CD1 3.49Å; W76-L80 VanDerWaalsContact NE1-CD1 3.31Å; W76-L80 PolarHBondContact O-N 3.49Å; K77-L80 PolarHBondContact O-N 3.29Å; A78-L80 VanDerWaalsContact C-N 3.34Å; A78-L80 PolarHBondContact O-N 3.35Å; L80-T83 PolarHBondContact O-N 2.79Å; L80-K84 WeakPolarHBondContact O-CB 3.36Å; L80-K84 PolarHBondContact O-N 2.66Å
81Q89.6Confident90.6Very high24 Ų2471.6 Ų71.611%0.11233%0.331CS..Hα-helixtrans-66.9-42.1177.9-70.8-173.1-8.600112.4K77 A78 G79 T83 K84 I85 L149 F231 S234K77-Q81 WeakPolarHBondContact O-CG 3.43Å; K77-Q81 PolarHBondContact O-N 3.5Å; K77-Q81 VanDerWaalsContact O-N 3.11Å; A78-Q81 PolarHBondContact O-N 2.79Å; G79-Q81 PolarHBondContact O-N 3.42Å; Q81-T83 VanDerWaalsContact C-N 3.31Å; Q81-T83 PolarHBondContact O-N 2.82Å; Q81-K84 PolarHBondContact O-N 2.86Å; Q81-I85 VanDerWaalsContact O-CG1 3.32Å; Q81-I85 WeakPolarHBondContact O-CG1 3.23Å; Q81-I85 PolarHBondContact O-N 3.11Å; Q81-L149 HydrophobicContact CB-CD1 4.46Å; Q81-L149 HydrophobicContact CB-CD2 4.06Å; Q81-F231 VanDerWaalsContact NE2-CD1 3.28Å; Q81-F231 VanDerWaalsContact OE1-CE1 3.28Å; Q81-S234 PolarHBondContact NE2-OG 2.97Å; Q81-S234 VanDerWaalsContact NE2-OG 3.17Å
82I90.8Very high90.5Very high0 Ų074.4 Ų74.40%034%0.344CS..Hα-helixtrans-56.7-48.4175.6-63.3167.1000109.9A78 G79 I85 R86 R87 L91 H92 L95 L149A78-I82 VanDerWaalsContact O-CG1 3.25Å; A78-I82 WeakPolarHBondContact O-CG1 3.38Å; A78-I82 PolarHBondContact O-N 3.39Å; G79-I82 PolarHBondContact O-N 3.04Å; I82-I85 PolarHBondContact O-N 2.93Å; I82-R86 PolarHBondContact O-N 2.85Å; I82-R86 VanDerWaalsContact O-N 3.12Å; I82-R87 HydrophobicContact CG2-CB 3.81Å; I82-R87 PolarHBondContact O-N 3.44Å; I82-L91 HydrophobicContact CD1-CB 4.33Å; I82-L91 HydrophobicContact CD1-CD2 4.05Å; I82-L91 HydrophobicContact CD1-CG 3.74Å; I82-L91 HydrophobicContact CG1-CD2 3.74Å; I82-L91 HydrophobicContact CG1-CG 4.02Å; I82-L91 HydrophobicContact CG2-CB 4.16Å; I82-L91 HydrophobicContact CG2-CD2 4.14Å; I82-L91 HydrophobicContact CG2-CG 4.37Å; I82-H92 WeakPolarHBondContact CG2-CE1 3.4Å; I82-H92 WeakPolarHBondContact CG2-ND1 3.39Å; I82-L95 HydrophobicContact CD1-CB 4.39Å; I82-L95 HydrophobicContact CD1-CD2 3.89Å; I82-L149 HydrophobicContact CD1-CD1 4.4Å; I82-L149 HydrophobicContact CG1-CD1 3.87Å; I82-L149 HydrophobicContact CG1-CD2 3.72Å; I82-L149 HydrophobicContact CG1-CG 4.25Å
83T89.1Confident90.4Very high86 Ų8675.7 Ų75.753%0.52835%0.353SS..Hα-helixtrans-63.7-43178.6-59.30000111.6G79 L80 Q81 I85 R86 H92G79-T83 PolarHBondContact O-N 2.87Å; G79-T83 PolarHBondContact O-OG1 2.95Å; G79-T83 VanDerWaalsContact O-OG1 3.09Å; L80-T83 PolarHBondContact O-N 2.79Å; Q81-T83 VanDerWaalsContact C-N 3.31Å; Q81-T83 PolarHBondContact O-N 2.82Å; T83-I85 PolarHBondContact O-N 3.46Å; T83-R86 PolarHBondContact O-N 2.95Å; T83-R86 VanDerWaalsContact O-N 3.1Å; T83-H92 PolarHBondContact OG1-NE2 3.37Å; T83-H92 VanDerWaalsContact OG1-NE2 3.15Å
84K86Confident90.4Very high142 Ų14276.3 Ų76.362%0.61736%0.356SS*.Hα-helixtrans-63.1-41.3178.9-174.5172.8-178.5171.30112.5L80 Q81 R86 L238L80-K84 WeakPolarHBondContact O-CB 3.36Å; L80-K84 PolarHBondContact O-N 2.66Å; Q81-K84 PolarHBondContact O-N 2.86Å; K84-R86 PolarHBondContact O-N 3.29Å; K84-L238 VanDerWaalsContact NZ-CD1 3.33Å
85I83.4Confident90.4Very high85 Ų8577 Ų7744%0.43636%0.36SS..THydrogen-bonded Turntrans-80.5-2178.7-56.1164.8000111.1Q81 I82 T83 R87 L149Q81-I85 VanDerWaalsContact O-CG1 3.32Å; Q81-I85 WeakPolarHBondContact O-CG1 3.23Å; Q81-I85 PolarHBondContact O-N 3.11Å; I82-I85 PolarHBondContact O-N 2.93Å; T83-I85 PolarHBondContact O-N 3.46Å; I85-R87 VanDerWaalsContact C-N 3.25Å; I85-R87 HydrophobicContact CB-CG 4.04Å; I85-R87 HydrophobicContact CG2-CG 3.84Å; I85-R87 PolarHBondContact O-N 3.02Å; I85-L149 HydrophobicContact CD1-CD2 4.18Å
86R79.4Confident90.4Very high233 Ų23380.3 Ų80.388%0.87938%0.38SS*.THydrogen-bonded Turntrans52.243.2-176.9-60.7-176.2174.8179.3-1.1112.5I82 T83 K84I82-R86 PolarHBondContact O-N 2.85Å; I82-R86 VanDerWaalsContact O-N 3.12Å; T83-R86 PolarHBondContact O-N 2.95Å; T83-R86 VanDerWaalsContact O-N 3.1Å; K84-R86 PolarHBondContact O-N 3.29Å
87R73.9Confident90.5Very high134 Ų13473.8 Ų73.851%0.50636%0.358SS..  trans-73.9169.1178.1-72.9-69.3-166.4173.82.5111.5I82 I85 L91I82-R87 HydrophobicContact CG2-CB 3.81Å; I82-R87 PolarHBondContact O-N 3.44Å; I85-R87 VanDerWaalsContact C-N 3.25Å; I85-R87 HydrophobicContact CB-CG 4.04Å; I85-R87 HydrophobicContact CG2-CG 3.84Å; I85-R87 PolarHBondContact O-N 3.02Å; R87-L91 HydrophobicContact CB-CD2 4.14Å; R87-L91 HydrophobicContact CG-CD2 4.42Å
88S84Confident90.8Very high63 Ų6371.5 Ų71.544%0.44135%0.348SS..  trans-59.8146-175.8177.10000113.4I90 L91S88-I90 PolarHBondContact O-N 2.96Å; S88-I90 VanDerWaalsContact O-N 3.12Å; S88-I90 PolarHBondContact OG-N 3.17Å; S88-L91 WeakPolarHBondContact O-CB 3.32Å; S88-L91 PolarHBondContact O-N 3.16Å
89I89.1Confident91Very high142 Ų14275.4 Ų75.473%0.72837%0.365SS*.Hα-helixtrans-53.8-27.6169.9-165.2162.4000113L91 H92 F93I89-L91 PolarHBondContact O-N 2.87Å; I89-H92 PolarHBondContact O-N 3.44Å; I89-F93 PolarHBondContact O-N 3.43Å
90I92.1Very high91.2Very high109 Ų10978.9 Ų78.956%0.55938%0.38SS*.Hα-helixtrans-60.3-37.6175.9-62.4172.7000110.6S88 F93 I94S88-I90 PolarHBondContact O-N 2.96Å; S88-I90 VanDerWaalsContact O-N 3.12Å; S88-I90 PolarHBondContact OG-N 3.17Å; I90-F93 WeakPolarHBondContact O-CB 3.33Å; I90-F93 PolarHBondContact O-N 2.89Å; I90-I94 HydrophobicContact CG2-CD1 4.07Å; I90-I94 WeakPolarHBondContact O-CG1 3.46Å; I90-I94 PolarHBondContact O-N 3.38Å
91L93.3Very high91.6Very high10 Ų1077.1 Ų77.15%0.05237%0.368CS..Hα-helixtrans-71.6-36.8-177.9-161.258.6000111.6I82 R87 S88 I89 F93 I94 L95 V145 C148 L149I82-L91 HydrophobicContact CD1-CB 4.33Å; I82-L91 HydrophobicContact CD1-CD2 4.05Å; I82-L91 HydrophobicContact CD1-CG 3.74Å; I82-L91 HydrophobicContact CG1-CD2 3.74Å; I82-L91 HydrophobicContact CG1-CG 4.02Å; I82-L91 HydrophobicContact CG2-CB 4.16Å; I82-L91 HydrophobicContact CG2-CD2 4.14Å; I82-L91 HydrophobicContact CG2-CG 4.37Å; R87-L91 HydrophobicContact CB-CD2 4.14Å; R87-L91 HydrophobicContact CG-CD2 4.42Å; S88-L91 WeakPolarHBondContact O-CB 3.32Å; S88-L91 PolarHBondContact O-N 3.16Å; I89-L91 PolarHBondContact O-N 2.87Å; L91-F93 VanDerWaalsContact C-N 3.33Å; L91-I94 PolarHBondContact O-N 2.85Å; L91-L95 WeakPolarHBondContact O-CB 3.39Å; L91-L95 PolarHBondContact O-N 3.2Å; L91-V145 HydrophobicContact CD1-CB 4.45Å; L91-V145 HydrophobicContact CD1-CG2 3.99Å; L91-C148 HydrophobicContact CD1-CB 4.2Å; L91-C148 HydrophobicContact CD2-CB 3.58Å; L91-L149 HydrophobicContact CD2-CD2 4.47Å
92H94.1Very high92Very high61 Ų6176.8 Ų76.828%0.28237%0.367SS..Hα-helixtrans-63.1-39.1170.2-68.894.9000111.7I82 T83 I89 L95 V96I82-H92 WeakPolarHBondContact CG2-CE1 3.4Å; I82-H92 WeakPolarHBondContact CG2-ND1 3.39Å; T83-H92 PolarHBondContact OG1-NE2 3.37Å; T83-H92 VanDerWaalsContact OG1-NE2 3.15Å; I89-H92 PolarHBondContact O-N 3.44Å; H92-L95 WeakPolarHBondContact O-CB 3.42Å; H92-L95 PolarHBondContact O-N 3.44Å; H92-V96 WeakPolarHBondContact O-CG2 3.19Å; H92-V96 PolarHBondContact O-N 2.95Å
93F95.9Very high92.4Very high135 Ų13578.1 Ų78.159%0.59238%0.375SS*.Hα-helixtrans-63.9-46.2176.2-179.1-104.1000112.2I89 I90 L91 L95 V96 I97I89-F93 PolarHBondContact O-N 3.43Å; I90-F93 WeakPolarHBondContact O-CB 3.33Å; I90-F93 PolarHBondContact O-N 2.89Å; L91-F93 VanDerWaalsContact C-N 3.33Å; F93-L95 VanDerWaalsContact C-N 3.27Å; F93-L95 PolarHBondContact O-N 3.33Å; F93-V96 PolarHBondContact O-N 3.01Å; F93-I97 HydrophobicContact CD1-CD1 3.91Å; F93-I97 HydrophobicContact CE1-CD1 3.43Å; F93-I97 VanDerWaalsContact CE1-CD1 3.43Å; F93-I97 HydrophobicContact CE1-CG1 4.3Å; F93-I97 HydrophobicContact CZ-CD1 3.91Å; F93-I97 HydrophobicContact CZ-CG1 4.41Å; F93-I97 PolarHBondContact O-N 3.12Å
94I97.3Very high92.8Very high33 Ų3377.4 Ų77.417%0.16937%0.367CS..Hα-helixtrans-59.5-40.9174.6-64.4169.2000110.4I90 L91 V96 I97 V98 C141 V144 V145I90-I94 HydrophobicContact CG2-CD1 4.07Å; I90-I94 WeakPolarHBondContact O-CG1 3.46Å; I90-I94 PolarHBondContact O-N 3.38Å; L91-I94 PolarHBondContact O-N 2.85Å; I94-V96 VanDerWaalsContact C-N 3.35Å; I94-V96 PolarHBondContact O-N 3.35Å; I94-I97 WeakPolarHBondContact O-CB 3.46Å; I94-I97 PolarHBondContact O-N 3.29Å; I94-V98 WeakPolarHBondContact O-CG2 3.27Å; I94-V98 PolarHBondContact O-N 3.45Å; I94-C141 HydrophobicContact CG2-CB 3.81Å; I94-C141 WeakPolarHBondContact CG2-O 3.34Å; I94-V144 HydrophobicContact CD1-CG1 4.06Å; I94-V145 HydrophobicContact CB-CG2 4.36Å; I94-V145 HydrophobicContact CG2-CG2 3.77Å
95L96.9Very high93.3Very high14 Ų1470.7 Ų70.77%0.07334%0.338CS..Hα-helixtrans-62.1-40.3177-175.467.6000112.6W74 C75 A78 G79 I82 L91 H92 F93 I97 V98 F99 V145W74-L95 HydrophobicContact CE3-CD1 4.41Å; W74-L95 HydrophobicContact CZ3-CD1 3.81Å; C75-L95 HydrophobicContact CB-CD1 4.1Å; C75-L95 WeakPolarHBondContact O-CD2 3.45Å; A78-L95 HydrophobicContact CB-CD1 3.96Å; G79-L95 VanDerWaalsContact CA-CD2 3.46Å; I82-L95 HydrophobicContact CD1-CB 4.39Å; I82-L95 HydrophobicContact CD1-CD2 3.89Å; L91-L95 WeakPolarHBondContact O-CB 3.39Å; L91-L95 PolarHBondContact O-N 3.2Å; H92-L95 WeakPolarHBondContact O-CB 3.42Å; H92-L95 PolarHBondContact O-N 3.44Å; F93-L95 VanDerWaalsContact C-N 3.27Å; F93-L95 PolarHBondContact O-N 3.33Å; L95-I97 VanDerWaalsContact C-N 3.35Å; L95-V98 PolarHBondContact O-N 2.73Å; L95-F99 WeakPolarHBondContact O-CB 3.41Å; L95-F99 PolarHBondContact O-N 2.82Å; L95-V145 HydrophobicContact CD1-CG1 4.35Å
96V97.5Very high94Very high79 Ų7966.8 Ų66.848%0.47932%0.319SS..Hα-helixtrans-63.8-41.1174.9170.30000110.9H92 F93 I94 F99 I100H92-V96 WeakPolarHBondContact O-CG2 3.19Å; H92-V96 PolarHBondContact O-N 2.95Å; F93-V96 PolarHBondContact O-N 3.01Å; I94-V96 VanDerWaalsContact C-N 3.35Å; I94-V96 PolarHBondContact O-N 3.35Å; V96-F99 WeakPolarHBondContact O-CB 3.33Å; V96-F99 PolarHBondContact O-N 3.46Å; V96-I100 HydrophobicContact CG1-CD1 3.8Å; V96-I100 HydrophobicContact CG1-CG1 4.42Å; V96-I100 WeakPolarHBondContact O-CG1 3.26Å; V96-I100 PolarHBondContact O-N 3.08Å
97I98.1Very high94.8Very high41 Ų4161 Ų6121%0.2130%0.303CS..Hα-helixtrans-57.3-51173-70.4173.8000110.2F93 I94 L95 F99 I100 F101 I137F93-I97 HydrophobicContact CD1-CD1 3.91Å; F93-I97 HydrophobicContact CE1-CD1 3.43Å; F93-I97 VanDerWaalsContact CE1-CD1 3.43Å; F93-I97 HydrophobicContact CE1-CG1 4.3Å; F93-I97 HydrophobicContact CZ-CD1 3.91Å; F93-I97 HydrophobicContact CZ-CG1 4.41Å; F93-I97 PolarHBondContact O-N 3.12Å; I94-I97 WeakPolarHBondContact O-CB 3.46Å; I94-I97 PolarHBondContact O-N 3.29Å; L95-I97 VanDerWaalsContact C-N 3.35Å; I97-F99 VanDerWaalsContact C-N 3.3Å; I97-F99 PolarHBondContact O-N 2.94Å; I97-I100 PolarHBondContact O-N 3.27Å; I97-F101 HydrophobicContact CG2-CD2 3.64Å; I97-F101 HydrophobicContact CG2-CE2 3.88Å; I97-F101 WeakPolarHBondContact O-CD2 3.28Å; I97-F101 PolarHBondContact O-N 3.33Å; I97-I137 HydrophobicContact CG2-CG2 4.41Å
98V98.3Very high95.9Very high1 Ų154.9 Ų54.91%0.00628%0.281CS..Hα-helixtrans-56.6-46177.8174.30000110.9W74 I94 L95 I100 M102 C141W74-V98 HydrophobicContact CZ3-CG1 4.22Å; I94-V98 WeakPolarHBondContact O-CG2 3.27Å; I94-V98 PolarHBondContact O-N 3.45Å; L95-V98 PolarHBondContact O-N 2.73Å; V98-I100 PolarHBondContact O-N 3.15Å; V98-M102 HydrophobicContact CG1-CG 4.11Å; V98-M102 VanDerWaalsContact O-CB 3.26Å; V98-M102 WeakPolarHBondContact O-CB 3.24Å; V98-M102 VanDerWaalsContact O-CG 3.22Å; V98-M102 WeakPolarHBondContact O-CG 3.31Å; V98-M102 PolarHBondContact O-N 2.93Å; V98-C141 HydrophobicContact CG2-CB 3.49Å; V98-C141 VanDerWaalsContact CG2-CB 3.49Å
99F98.3Very high96.4Very high83 Ų8352.3 Ų52.336%0.36426%0.263SS..Hα-helixtrans-58-48.8178.5178-94.2000112.1W72 C75 L95 V96 I97 T103W72-F99 HydrophobicContact CB-CE2 4.22Å; W72-F99 AromaticContact CD1-CD2 3.76Å; W72-F99 AromaticContact CD1-CE2 3.25Å; W72-F99 AromaticContact CD1-CZ 3.99Å; W72-F99 HydrophobicContact CD2-CE2 4.38Å; W72-F99 HydrophobicContact CG-CD2 4.47Å; W72-F99 AromaticContact CG-CE2 3.72Å; W72-F99 HydrophobicContact CG-CE2 3.72Å; W72-F99 HydrophobicContact CG-CZ 4.48Å; W72-F99 AromaticContact NE1-CE2 3.64Å; W72-F99 AromaticContact NE1-CZ 3.91Å; C75-F99 HydrophobicContact CB-CB 4.44Å; C75-F99 HydrophobicContact CB-CD2 4.08Å; L95-F99 WeakPolarHBondContact O-CB 3.41Å; L95-F99 PolarHBondContact O-N 2.82Å; V96-F99 WeakPolarHBondContact O-CB 3.33Å; V96-F99 PolarHBondContact O-N 3.46Å; I97-F99 VanDerWaalsContact C-N 3.3Å; I97-F99 PolarHBondContact O-N 2.94Å; F99-T103 VanDerWaalsContact O-CB 3.32Å; F99-T103 WeakPolarHBondContact O-CB 3.5Å; F99-T103 PolarHBondContact O-N 3.24Å; F99-T103 PolarHBondContact O-OG1 3.33Å
100I98.5Very high96.8Very high84 Ų8446.9 Ų46.943%0.43123%0.234SC..Hα-helixtrans-64.4-55.1-178.2-67.6167.7000110.6V96 I97 V98 M102 T103 I104V96-I100 HydrophobicContact CG1-CD1 3.8Å; V96-I100 HydrophobicContact CG1-CG1 4.42Å; V96-I100 WeakPolarHBondContact O-CG1 3.26Å; V96-I100 PolarHBondContact O-N 3.08Å; I97-I100 PolarHBondContact O-N 3.27Å; V98-I100 PolarHBondContact O-N 3.15Å; I100-M102 PolarHBondContact O-N 3.41Å; I100-T103 WeakPolarHBondContact O-CB 3.46Å; I100-T103 PolarHBondContact O-N 3.09Å; I100-T103 VanDerWaalsContact O-N 3.16Å; I100-I104 HydrophobicContact CG2-CD1 3.93Å; I100-I104 WeakPolarHBondContact O-CG1 3.46Å; I100-I104 PolarHBondContact O-N 3.09Å
101F98.6Very high96.9Very high61 Ų6142.7 Ų42.727%0.26822%0.218SC..Hα-helixtrans-64.7-40.8-174.9-81.7-79.5000112I97 T103 I104 A105 C134 I137 A138I97-F101 HydrophobicContact CG2-CD2 3.64Å; I97-F101 HydrophobicContact CG2-CE2 3.88Å; I97-F101 WeakPolarHBondContact O-CD2 3.28Å; I97-F101 PolarHBondContact O-N 3.33Å; F101-T103 VanDerWaalsContact C-N 3.31Å; F101-T103 PolarHBondContact O-N 3.41Å; F101-I104 PolarHBondContact O-N 3.07Å; F101-A105 WeakPolarHBondContact O-CB 3.47Å; F101-A105 PolarHBondContact O-N 3.02Å; F101-C134 HydrophobicContact CB-CB 4.29Å; F101-C134 HydrophobicContact CD1-CB 4.16Å; F101-C134 VanDerWaalsContact O-CB 3.31Å; F101-C134 WeakPolarHBondContact O-CB 3.4Å; F101-I137 HydrophobicContact CD1-CD1 4.27Å; F101-I137 HydrophobicContact CD2-CG2 4.05Å; F101-I137 HydrophobicContact CE1-CD1 3.71Å; F101-I137 HydrophobicContact CE2-CG2 4.06Å; F101-I137 HydrophobicContact CG-CG2 4.32Å; F101-I137 HydrophobicContact CZ-CD1 3.98Å; F101-I137 HydrophobicContact CZ-CG2 4.32Å; F101-A138 HydrophobicContact CB-CB 3.94Å
102M97.5Very high96.8Very high16 Ų1642.9 Ų42.98%0.07922%0.219CC..Hα-helixtrans-69.5-30176.6-67.3-66.1-68.300113.1Q71 V98 I100 A105 G106 A138 L220Q71-M102 HydrophobicContact CB-CB 4.46Å; Q71-M102 HydrophobicContact CG-CB 3.48Å; Q71-M102 VanDerWaalsContact CG-CB 3.48Å; Q71-M102 HydrophobicContact CG-CE 4.12Å; Q71-M102 HydrophobicContact CG-CG 3.75Å; V98-M102 HydrophobicContact CG1-CG 4.11Å; V98-M102 VanDerWaalsContact O-CB 3.26Å; V98-M102 WeakPolarHBondContact O-CB 3.24Å; V98-M102 VanDerWaalsContact O-CG 3.22Å; V98-M102 WeakPolarHBondContact O-CG 3.31Å; V98-M102 PolarHBondContact O-N 2.93Å; I100-M102 PolarHBondContact O-N 3.41Å; M102-A105 PolarHBondContact O-N 3.18Å; M102-G106 PolarHBondContact O-N 2.89Å; M102-A138 HydrophobicContact CG-CB 3.61Å; M102-A138 HydrophobicContact SD-CB 3.61Å; M102-L220 HydrophobicContact CE-CD2 3.67Å; M102-L220 HydrophobicContact SD-CD2 4.41Å
103T98.3Very high96.7Very high29 Ų2940.5 Ų40.518%0.17821%0.209CC..Hα-helixtrans-64.4-46172.5-59.50000110.2W72 F99 I100 F101 A105 G106 M107W72-T103 HydrophobicContact CZ2-CG2 3.99Å; W72-T103 PolarHBondContact NE1-OG1 3.08Å; F99-T103 VanDerWaalsContact O-CB 3.32Å; F99-T103 WeakPolarHBondContact O-CB 3.5Å; F99-T103 PolarHBondContact O-N 3.24Å; F99-T103 PolarHBondContact O-OG1 3.33Å; I100-T103 WeakPolarHBondContact O-CB 3.46Å; I100-T103 PolarHBondContact O-N 3.09Å; I100-T103 VanDerWaalsContact O-N 3.16Å; F101-T103 VanDerWaalsContact C-N 3.31Å; F101-T103 PolarHBondContact O-N 3.41Å; T103-A105 VanDerWaalsContact C-N 3.34Å; T103-A105 PolarHBondContact O-N 3.43Å; T103-G106 PolarHBondContact O-N 3.02Å; T103-M107 HydrophobicContact CG2-CG 4.47Å; T103-M107 WeakPolarHBondContact O-CB 3.49Å; T103-M107 VanDerWaalsContact O-CG 3.27Å; T103-M107 WeakPolarHBondContact O-CG 3.35Å; T103-M107 PolarHBondContact O-N 3.44Å
104I98.4Very high96.4Very high71 Ų7140.6 Ų40.636%0.36421%0.21SC..Hα-helixtrans-62.6-42.9176-62.9167.1000110.6I100 F101 G106 M107 S108 V130 C134I100-I104 HydrophobicContact CG2-CD1 3.93Å; I100-I104 WeakPolarHBondContact O-CG1 3.46Å; I100-I104 PolarHBondContact O-N 3.09Å; F101-I104 PolarHBondContact O-N 3.07Å; I104-G106 PolarHBondContact O-N 3.11Å; I104-M107 PolarHBondContact O-N 3.38Å; I104-S108 WeakPolarHBondContact O-CB 3.3Å; I104-S108 PolarHBondContact O-N 2.98Å; I104-S108 PolarHBondContact O-OG 3.37Å; I104-V130 HydrophobicContact CG2-CG1 3.75Å; I104-C134 VanDerWaalsContact CG2-SG 3.6Å
105A97.5Very high95.9Very high0 Ų040.2 Ų40.20%021%0.209CC..Hα-helixtrans-58.6-49.3176.300000111.4F101 M102 T103 S108 I109 N131 C134F101-A105 WeakPolarHBondContact O-CB 3.47Å; F101-A105 PolarHBondContact O-N 3.02Å; M102-A105 PolarHBondContact O-N 3.18Å; T103-A105 VanDerWaalsContact C-N 3.34Å; T103-A105 PolarHBondContact O-N 3.43Å; A105-S108 WeakPolarHBondContact O-CB 3.13Å; A105-S108 PolarHBondContact O-N 3.44Å; A105-S108 VanDerWaalsContact O-N 3.13Å; A105-I109 PolarHBondContact O-N 3.43Å; A105-N131 PolarHBondContact O-ND2 3.29Å; A105-C134 HydrophobicContact CB-CB 3.69Å
106G96.6Very high95.3Very high4 Ų440.8 Ų40.84%0.04121%0.212CC..Hα-helixtrans-62-44178.200000113.2T68 M102 T103 I104 S108 I109 I110T68-G106 VanDerWaalsContact OG1-CA 3.24Å; T68-G106 WeakPolarHBondContact OG1-CA 3.24Å; M102-G106 PolarHBondContact O-N 2.89Å; T103-G106 PolarHBondContact O-N 3.02Å; I104-G106 PolarHBondContact O-N 3.11Å; G106-S108 VanDerWaalsContact C-N 3.25Å; G106-S108 PolarHBondContact O-N 3Å; G106-I109 WeakPolarHBondContact O-CB 3.42Å; G106-I109 PolarHBondContact O-N 3.43Å; G106-I109 VanDerWaalsContact O-N 3.16Å; G106-I110 WeakPolarHBondContact O-CG1 3.4Å; G106-I110 PolarHBondContact O-N 2.92Å
107M96.9Very high94.5Very high110 Ų11037.1 Ų37.154%0.54219%0.19SC..Hα-helixtrans-61.6-34.5172.7-69.5-56.5-61.600112.3T103 I104 I110 G111T103-M107 HydrophobicContact CG2-CG 4.47Å; T103-M107 WeakPolarHBondContact O-CB 3.49Å; T103-M107 VanDerWaalsContact O-CG 3.27Å; T103-M107 WeakPolarHBondContact O-CG 3.35Å; T103-M107 PolarHBondContact O-N 3.44Å; I104-M107 PolarHBondContact O-N 3.38Å; M107-I110 PolarHBondContact O-N 3.48Å; M107-I110 HydrophobicContact SD-CD1 4.11Å; M107-G111 PolarHBondContact O-N 3.42Å
108S97.1Very high93.7Very high7 Ų740.6 Ų40.65%0.04920%0.204CC..Hα-helixtrans-66.7-39175.2-54.40000111.6I104 A105 G106 I110 G111 L112I104-S108 WeakPolarHBondContact O-CB 3.3Å; I104-S108 PolarHBondContact O-N 2.98Å; I104-S108 PolarHBondContact O-OG 3.37Å; A105-S108 WeakPolarHBondContact O-CB 3.13Å; A105-S108 PolarHBondContact O-N 3.44Å; A105-S108 VanDerWaalsContact O-N 3.13Å; G106-S108 VanDerWaalsContact C-N 3.25Å; G106-S108 PolarHBondContact O-N 3Å; S108-I110 VanDerWaalsContact C-N 3.35Å; S108-G111 PolarHBondContact O-N 3.03Å; S108-L112 WeakPolarHBondContact O-CB 3.17Å; S108-L112 VanDerWaalsContact O-CG 3.26Å; S108-L112 WeakPolarHBondContact O-CG 3.4Å; S108-L112 PolarHBondContact O-N 3.46Å
109I95.2Very high93Very high9 Ų947.4 Ų47.45%0.04624%0.235CC..Hα-helixtrans-61.8-44.6173.5-63.6173.9000110.6M60 Y63 A105 G106 G111 L112 S113 N131M60-I109 HydrophobicContact CE-CG2 3.78Å; M60-I109 HydrophobicContact SD-CG2 4.36Å; Y63-I109 HydrophobicContact CD1-CG2 4.22Å; Y63-I109 HydrophobicContact CE1-CD1 4.29Å; A105-I109 PolarHBondContact O-N 3.43Å; G106-I109 WeakPolarHBondContact O-CB 3.42Å; G106-I109 PolarHBondContact O-N 3.43Å; G106-I109 VanDerWaalsContact O-N 3.16Å; I109-G111 VanDerWaalsContact C-N 3.34Å; I109-L112 PolarHBondContact O-N 2.84Å; I109-S113 PolarHBondContact O-N 2.88Å; I109-N131 VanDerWaalsContact CG1-ND2 3.28Å; I109-N131 WeakPolarHBondContact CG1-ND2 3.45Å
110I96.2Very high92.4Very high27 Ų2747.8 Ų47.814%0.13824%0.241CC..Hα-helixtrans-63.1-44.3176.5-62.6165.6000109.8I65 G106 M107 S108 L112 S113 F114I65-I110 HydrophobicContact CG1-CD1 3.64Å; I65-I110 HydrophobicContact CG1-CG1 4.17Å; G106-I110 WeakPolarHBondContact O-CG1 3.4Å; G106-I110 PolarHBondContact O-N 2.92Å; M107-I110 PolarHBondContact O-N 3.48Å; M107-I110 HydrophobicContact SD-CD1 4.11Å; S108-I110 VanDerWaalsContact C-N 3.35Å; I110-L112 PolarHBondContact O-N 2.82Å; I110-S113 VanDerWaalsContact O-CB 3.29Å; I110-S113 WeakPolarHBondContact O-CB 3.44Å; I110-S113 PolarHBondContact O-N 3.45Å; I110-S113 VanDerWaalsContact O-N 3.12Å; I110-S113 PolarHBondContact O-OG 2.88Å; I110-F114 HydrophobicContact CG2-CE2 3.88Å; I110-F114 WeakPolarHBondContact O-CD2 3.4Å
111G93.9Very high91.6Very high21 Ų2147.3 Ų47.322%0.21624%0.239CC..Hα-helixtrans-59.2-44.6176.400000112.8M107 S108 I109 S113 F114 V115M107-G111 PolarHBondContact O-N 3.42Å; S108-G111 PolarHBondContact O-N 3.03Å; I109-G111 VanDerWaalsContact C-N 3.34Å; G111-S113 PolarHBondContact O-N 3.46Å; G111-S113 VanDerWaalsContact O-N 3.11Å; G111-F114 PolarHBondContact O-N 2.91Å; G111-V115 PolarHBondContact O-N 3.48Å
112L92.6Very high91.1Very high15 Ų1548.3 Ų48.38%0.07926%0.259CS..Hα-helixtrans-56.6-28.1176.1-75.2168.8000112.7M60 S108 I109 I110 F114 H124 L127M60-L112 HydrophobicContact CE-CB 4.24Å; M60-L112 HydrophobicContact CE-CD1 4.48Å; S108-L112 WeakPolarHBondContact O-CB 3.17Å; S108-L112 VanDerWaalsContact O-CG 3.26Å; S108-L112 WeakPolarHBondContact O-CG 3.4Å; S108-L112 PolarHBondContact O-N 3.46Å; I109-L112 PolarHBondContact O-N 2.84Å; I110-L112 PolarHBondContact O-N 2.82Å; L112-F114 VanDerWaalsContact C-N 3.25Å; L112-F114 PolarHBondContact O-N 3.46Å; L112-H124 WeakPolarHBondContact CD2-O 3.35Å; L112-L127 HydrophobicContact CD2-CB 3.72Å; L112-L127 HydrophobicContact CD2-CD1 4.43Å; L112-L127 HydrophobicContact CG-CB 3.92Å; L112-L127 HydrophobicContact CG-CD1 4.47Å
113S90.3Very high90.7Very high10 Ų1052 Ų527%0.0728%0.276CS..Hα-helixtrans-66.9-25.8176.980.20000113.7M57 I109 I110 G111M57-S113 VanDerWaalsContact CG-O 3.29Å; M57-S113 WeakPolarHBondContact CG-O 3.3Å; I109-S113 PolarHBondContact O-N 2.88Å; I110-S113 VanDerWaalsContact O-CB 3.29Å; I110-S113 WeakPolarHBondContact O-CB 3.44Å; I110-S113 PolarHBondContact O-N 3.45Å; I110-S113 VanDerWaalsContact O-N 3.12Å; I110-S113 PolarHBondContact O-OG 2.88Å; G111-S113 PolarHBondContact O-N 3.46Å; G111-S113 VanDerWaalsContact O-N 3.11Å
114F90Very high90.3Very high137 Ų13751.6 Ų51.660%0.60127%0.272SS*.Hα-helixtrans-103-15-176-61.2-69.3000113.5M57 I110 G111 L112 N116M57-F114 HydrophobicContact CG-CD1 4.4Å; M57-F114 HydrophobicContact CG-CE1 4.34Å; M57-F114 HydrophobicContact SD-CD1 4.03Å; M57-F114 HydrophobicContact SD-CE1 4.13Å; I110-F114 HydrophobicContact CG2-CE2 3.88Å; I110-F114 WeakPolarHBondContact O-CD2 3.4Å; G111-F114 PolarHBondContact O-N 2.91Å; L112-F114 VanDerWaalsContact C-N 3.25Å; L112-F114 PolarHBondContact O-N 3.46Å; F114-N116 PolarHBondContact O-N 2.75Å
115V88.2Confident89.8Confident25 Ų2553.5 Ų53.515%0.15228%0.275CS..SBendtrans-74.9123.9177.5177.30000109.7G111 T117 N120 E123 H124 L127G111-V115 PolarHBondContact O-N 3.48Å; V115-T117 PolarHBondContact O-N 3.48Å; V115-T117 VanDerWaalsContact O-N 3.09Å; V115-N120 HydrophobicContact CG1-CB 3.93Å; V115-E123 HydrophobicContact CG1-CB 4.28Å; V115-E123 HydrophobicContact CG2-CG 4.08Å; V115-H124 HydrophobicContact CG1-CB 3.88Å; V115-L127 HydrophobicContact CG2-CD1 3.74Å
116N83.3Confident89.6Confident27 Ų2758.3 Ų58.314%0.14430%0.298CS..  trans-74.198.3170.4-172.5-12.2000109.7K53 F114 K118 E119 N120K53-N116 PolarHBondContact NZ-ND2 3.13Å; F114-N116 PolarHBondContact O-N 2.75Å; N116-K118 PolarHBondContact O-N 2.89Å; N116-K118 VanDerWaalsContact O-N 3.1Å; N116-K118 PolarHBondContact OD1-N 3.4Å; N116-E119 HydrophobicContact CB-CB 4.3Å; N116-E119 PolarHBondContact ND2-OE1 2.9Å; N116-E119 PolarHBondContact ND2-OE2 3.06Å; N116-E119 PolarHBondContact O-N 3.36Å; N116-N120 PolarHBondContact O-N 3.16Å
117T81.3Confident89.4Confident2 Ų259.5 Ų59.51%0.01230%0.303CS..THydrogen-bonded Turntrans-54.9-31.1-176.8-480000113.4V115 N121 H124 F191V115-T117 PolarHBondContact O-N 3.48Å; V115-T117 VanDerWaalsContact O-N 3.09Å; T117-N121 WeakPolarHBondContact O-CA 3.27Å; T117-N121 WeakPolarHBondContact O-CB 3.45Å; T117-N121 PolarHBondContact O-N 3.34Å; T117-H124 HydrophobicContact CG2-CB 4.39Å; T117-H124 PolarHBondContact OG1-CD2 2.64Å; T117-H124 VanDerWaalsContact OG1-CD2 3.26Å; T117-F191 HydrophobicContact CG2-CE1 3.87Å; T117-F191 HydrophobicContact CG2-CZ 3.95Å
118K80.5Confident89.2Confident114 Ų11456.9 Ų56.950%0.49629%0.293SS..THydrogen-bonded Turntrans-71.8-35.3179.7-171.8169.2-175.41640113.1I48 Y49 N116I48-K118 HydrophobicContact CG2-CB 4.19Å; I48-K118 HydrophobicContact CG2-CD 3.94Å; Y49-K118 PolarHBondContact OH-NZ 3.49Å; Y49-K118 VanDerWaalsContact OH-NZ 3.15Å; N116-K118 PolarHBondContact O-N 2.89Å; N116-K118 VanDerWaalsContact O-N 3.1Å; N116-K118 PolarHBondContact OD1-N 3.4Å
119E83.5Confident89Confident144 Ų14459.8 Ų59.867%0.67331%0.308SS*.THydrogen-bonded Turntrans-96.1-38.2-176.3-70.9165.6-172.700111.9N116N116-E119 HydrophobicContact CB-CB 4.3Å; N116-E119 PolarHBondContact ND2-OE1 2.9Å; N116-E119 PolarHBondContact ND2-OE2 3.06Å; N116-E119 PolarHBondContact O-N 3.36Å
120N85.6Confident89.1Confident91 Ų9161.2 Ų61.249%0.48732%0.317SS..  trans-121.845.7-170.3-66.4-22.6000111.5V115 N116 A122 E123 H124V115-N120 HydrophobicContact CG1-CB 3.93Å; N116-N120 PolarHBondContact O-N 3.16Å; N120-A122 PolarHBondContact O-N 2.64Å; N120-E123 HydrophobicContact CB-CB 4.34Å; N120-E123 PolarHBondContact O-N 3.28Å; N120-E123 VanDerWaalsContact O-N 3.09Å; N120-H124 PolarHBondContact O-N 3.44Å; N120-H124 VanDerWaalsContact O-N 3.08Å
121N83.2Confident89Confident73 Ų7360.5 Ų60.539%0.3931%0.313SS..Hα-helixtrans-58.7-32-177-16734.1000113.3T117 H124 Y125T117-N121 WeakPolarHBondContact O-CA 3.27Å; T117-N121 WeakPolarHBondContact O-CB 3.45Å; T117-N121 PolarHBondContact O-N 3.34Å; N121-H124 PolarHBondContact O-N 3.05Å; N121-Y125 WeakPolarHBondContact O-CB 3.36Å; N121-Y125 PolarHBondContact O-N 2.83Å
122A87.1Confident89Confident82 Ų8261.1 Ų61.168%0.67831%0.31SS*.Hα-helixtrans-63.1-42.2176.600000112.1N120 Y125 H126N120-A122 PolarHBondContact O-N 2.64Å; A122-Y125 PolarHBondContact O-N 2.97Å; A122-H126 PolarHBondContact O-N 3.26Å
123E89.7Confident89.2Confident95 Ų9564.2 Ų64.244%0.44433%0.326SS..Hα-helixtrans-69.2-41.8177-170.959.7-153.200110.9V115 N120 Y125 H126 L127V115-E123 HydrophobicContact CG1-CB 4.28Å; V115-E123 HydrophobicContact CG2-CG 4.08Å; N120-E123 HydrophobicContact CB-CB 4.34Å; N120-E123 PolarHBondContact O-N 3.28Å; N120-E123 VanDerWaalsContact O-N 3.09Å; E123-Y125 VanDerWaalsContact C-N 3.3Å; E123-Y125 PolarHBondContact O-N 2.81Å; E123-H126 PolarHBondContact O-N 3.35Å; E123-L127 PolarHBondContact O-N 2.96Å
124H89.2Confident89.6Confident19 Ų1964 Ų649%0.08832%0.324CS..Hα-helixtrans-57.6-44.4174179.6-83000111.4L112 V115 T117 N120 N121 T128L112-H124 WeakPolarHBondContact CD2-O 3.35Å; V115-H124 HydrophobicContact CG1-CB 3.88Å; T117-H124 HydrophobicContact CG2-CB 4.39Å; T117-H124 PolarHBondContact OG1-CD2 2.64Å; T117-H124 VanDerWaalsContact OG1-CD2 3.26Å; N120-H124 PolarHBondContact O-N 3.44Å; N120-H124 VanDerWaalsContact O-N 3.08Å; N121-H124 PolarHBondContact O-N 3.05Å; H124-T128 WeakPolarHBondContact O-CB 3.28Å; H124-T128 PolarHBondContact O-N 3.33Å; H124-T128 PolarHBondContact O-OG1 2.94Å
125Y88.7Confident89.9Confident112 Ų11257.8 Ų57.844%0.43930%0.297SS..Hα-helixtrans-64-43.6176.1-177.8-99.6000111.9N121 A122 E123 T128 L129N121-Y125 WeakPolarHBondContact O-CB 3.36Å; N121-Y125 PolarHBondContact O-N 2.83Å; A122-Y125 PolarHBondContact O-N 2.97Å; E123-Y125 VanDerWaalsContact C-N 3.3Å; E123-Y125 PolarHBondContact O-N 2.81Å; Y125-T128 PolarHBondContact O-N 3.22Å; Y125-L129 WeakPolarHBondContact O-CB 3.47Å; Y125-L129 PolarHBondContact O-N 2.9Å
126H92.2Very high90.3Very high101 Ų10158.8 Ų58.847%0.46830%0.303SS..Hα-helixtrans-60.7-49.2178.2-174.867.4000112A122 E123 T128 L129 V130A122-H126 PolarHBondContact O-N 3.26Å; E123-H126 PolarHBondContact O-N 3.35Å; H126-T128 VanDerWaalsContact C-N 3.33Å; H126-T128 PolarHBondContact O-N 3.4Å; H126-L129 PolarHBondContact O-N 2.87Å; H126-V130 WeakPolarHBondContact O-CG2 3.41Å; H126-V130 PolarHBondContact O-N 3.46Å
127L93.9Very high91Very high29 Ų2960.5 Ų60.515%0.15231%0.312CS..Hα-helixtrans-63.4-38.4177.7-70.7178.5000112.4L112 V115 E123 L129 V130 N131L112-L127 HydrophobicContact CD2-CB 3.72Å; L112-L127 HydrophobicContact CD2-CD1 4.43Å; L112-L127 HydrophobicContact CG-CB 3.92Å; L112-L127 HydrophobicContact CG-CD1 4.47Å; V115-L127 HydrophobicContact CG2-CD1 3.74Å; E123-L127 PolarHBondContact O-N 2.96Å; L127-L129 VanDerWaalsContact C-N 3.33Å; L127-V130 PolarHBondContact O-N 2.86Å; L127-N131 VanDerWaalsContact O-CB 3.23Å; L127-N131 WeakPolarHBondContact O-CB 3.33Å; L127-N131 PolarHBondContact O-N 3.1Å
128T92.2Very high91.8Very high55 Ų5560.5 Ų60.534%0.33731%0.312SS..Hα-helixtrans-60.9-43.5173.7-61.20000111.1H124 Y125 H126 N131 F132H124-T128 WeakPolarHBondContact O-CB 3.28Å; H124-T128 PolarHBondContact O-N 3.33Å; H124-T128 PolarHBondContact O-OG1 2.94Å; Y125-T128 PolarHBondContact O-N 3.22Å; H126-T128 VanDerWaalsContact C-N 3.33Å; H126-T128 PolarHBondContact O-N 3.4Å; T128-N131 WeakPolarHBondContact O-CB 3.25Å; T128-N131 PolarHBondContact O-N 3.49Å; T128-F132 WeakPolarHBondContact O-CB 3.39Å; T128-F132 PolarHBondContact O-N 2.79Å
129L92.6Very high92.6Very high68 Ų6855 Ų5536%0.35629%0.288SS..Hα-helixtrans-66.4-45.3178.3-177.563.6000111.9Y125 H126 L127 N131 F132 I133Y125-L129 WeakPolarHBondContact O-CB 3.47Å; Y125-L129 PolarHBondContact O-N 2.9Å; H126-L129 PolarHBondContact O-N 2.87Å; L127-L129 VanDerWaalsContact C-N 3.33Å; L129-N131 VanDerWaalsContact C-N 3.33Å; L129-N131 PolarHBondContact O-N 2.92Å; L129-F132 PolarHBondContact O-N 2.91Å; L129-I133 HydrophobicContact CD1-CD1 4.01Å; L129-I133 HydrophobicContact CD1-CG1 4.23Å; L129-I133 HydrophobicContact CD2-CD1 4.48Å; L129-I133 HydrophobicContact CG-CD1 3.84Å; L129-I133 HydrophobicContact CG-CG1 4.43Å; L129-I133 VanDerWaalsContact O-CG1 3.31Å; L129-I133 WeakPolarHBondContact O-CG1 3.24Å; L129-I133 PolarHBondContact O-N 3.12Å
130V96.2Very high93.3Very high39 Ų3950.4 Ų50.424%0.23627%0.27CS..Hα-helixtrans-59.5-46.6176171.50000110.3I104 H126 L127 F132 I133 C134I104-V130 HydrophobicContact CG2-CG1 3.75Å; H126-V130 WeakPolarHBondContact O-CG2 3.41Å; H126-V130 PolarHBondContact O-N 3.46Å; L127-V130 PolarHBondContact O-N 2.86Å; V130-F132 VanDerWaalsContact C-N 3.33Å; V130-F132 PolarHBondContact O-N 3.11Å; V130-I133 PolarHBondContact O-N 3.23Å; V130-C134 WeakPolarHBondContact O-CB 3.34Å; V130-C134 PolarHBondContact O-N 3.38Å; V130-C134 PolarHBondContact O-SG 3.18Å
131N95Very high93.9Very high11 Ų1147.6 Ų47.66%0.05926%0.258CS..Hα-helixtrans-55.5-48.6175.6177.8-96.7000111.9A105 I109 L127 T128 L129 C134 H135A105-N131 PolarHBondContact O-ND2 3.29Å; I109-N131 VanDerWaalsContact CG1-ND2 3.28Å; I109-N131 WeakPolarHBondContact CG1-ND2 3.45Å; L127-N131 VanDerWaalsContact O-CB 3.23Å; L127-N131 WeakPolarHBondContact O-CB 3.33Å; L127-N131 PolarHBondContact O-N 3.1Å; T128-N131 WeakPolarHBondContact O-CB 3.25Å; T128-N131 PolarHBondContact O-N 3.49Å; L129-N131 VanDerWaalsContact C-N 3.33Å; L129-N131 PolarHBondContact O-N 2.92Å; N131-C134 PolarHBondContact O-N 2.97Å; N131-H135 PolarHBondContact ND2-CE1 3.16Å; N131-H135 VanDerWaalsContact ND2-CE1 3.33Å; N131-H135 PolarHBondContact O-N 2.88Å; N131-H135 VanDerWaalsContact O-N 3.12Å; N131-H135 PolarHBondContact O-ND1 3.42Å; N131-H135 PolarHBondContact OD1-ND1 2.95Å
132F94.2Very high94.6Very high35 Ų3544.1 Ų44.115%0.15424%0.239CC..Hα-helixtrans-64.1-49.8-179.2171.3-107.5000112.3T128 L129 V130 C134 H135 V136 M167 V168 S171T128-F132 WeakPolarHBondContact O-CB 3.39Å; T128-F132 PolarHBondContact O-N 2.79Å; L129-F132 PolarHBondContact O-N 2.91Å; V130-F132 VanDerWaalsContact C-N 3.33Å; V130-F132 PolarHBondContact O-N 3.11Å; F132-C134 PolarHBondContact O-N 2.88Å; F132-H135 PolarHBondContact O-N 3.37Å; F132-H135 VanDerWaalsContact O-N 3.08Å; F132-V136 HydrophobicContact CD1-CG2 4.33Å; F132-V136 HydrophobicContact CD2-CG2 3.96Å; F132-V136 HydrophobicContact CE1-CG2 3.84Å; F132-V136 HydrophobicContact CE2-CG2 3.41Å; F132-V136 VanDerWaalsContact CE2-CG2 3.41Å; F132-V136 HydrophobicContact CG-CG2 4.39Å; F132-V136 HydrophobicContact CZ-CG2 3.36Å; F132-V136 WeakPolarHBondContact O-CG2 3.41Å; F132-V136 PolarHBondContact O-N 3.25Å; F132-M167 HydrophobicContact CD2-CB 4.41Å; F132-M167 HydrophobicContact CE2-CB 4Å; F132-M167 WeakPolarHBondContact CE2-O 3.5Å; F132-V168 HydrophobicContact CE2-CG2 4.41Å; F132-V168 HydrophobicContact CZ-CG2 4.04Å; F132-S171 WeakPolarHBondContact CD2-OG 3.02Å; F132-S171 WeakPolarHBondContact CE2-OG 3.32Å
133I96.5Very high95.1Very high79 Ų7940.7 Ų40.741%0.40521%0.21SC..Hα-helixtrans-57-43.1178.9-69.7171.2000110.4L129 V130 H135 V136 I137L129-I133 HydrophobicContact CD1-CD1 4.01Å; L129-I133 HydrophobicContact CD1-CG1 4.23Å; L129-I133 HydrophobicContact CD2-CD1 4.48Å; L129-I133 HydrophobicContact CG-CD1 3.84Å; L129-I133 HydrophobicContact CG-CG1 4.43Å; L129-I133 VanDerWaalsContact O-CG1 3.31Å; L129-I133 WeakPolarHBondContact O-CG1 3.24Å; L129-I133 PolarHBondContact O-N 3.12Å; V130-I133 PolarHBondContact O-N 3.23Å; I133-H135 PolarHBondContact O-N 3.44Å; I133-V136 PolarHBondContact O-N 3.47Å; I133-I137 HydrophobicContact CG2-CD1 3.96Å; I133-I137 WeakPolarHBondContact O-CG1 3.49Å; I133-I137 PolarHBondContact O-N 3.42Å; I133-I137 VanDerWaalsContact O-N 3.17Å
134C98.1Very high95.4Very high6 Ų639.6 Ų39.64%0.04121%0.21CC..Hα-helixtrans-60.8-43.3177.4-68.90000112.3F101 I104 A105 V130 N131 F132 I137 A138F101-C134 HydrophobicContact CB-CB 4.29Å; F101-C134 HydrophobicContact CD1-CB 4.16Å; F101-C134 VanDerWaalsContact O-CB 3.31Å; F101-C134 WeakPolarHBondContact O-CB 3.4Å; I104-C134 VanDerWaalsContact CG2-SG 3.6Å; A105-C134 HydrophobicContact CB-CB 3.69Å; V130-C134 WeakPolarHBondContact O-CB 3.34Å; V130-C134 PolarHBondContact O-N 3.38Å; V130-C134 PolarHBondContact O-SG 3.18Å; N131-C134 PolarHBondContact O-N 2.97Å; F132-C134 PolarHBondContact O-N 2.88Å; C134-I137 PolarHBondContact O-N 2.83Å; C134-A138 WeakPolarHBondContact O-CB 3.45Å; C134-A138 PolarHBondContact O-N 3.29Å
135H97.6Very high95.8Very high7 Ų738.7 Ų38.73%0.03221%0.206CC..Hα-helixtrans-65.2-43.9176.2-77.9105.1000112.7N131 F132 I133 I137 A138 I139 M167N131-H135 PolarHBondContact ND2-CE1 3.16Å; N131-H135 VanDerWaalsContact ND2-CE1 3.33Å; N131-H135 PolarHBondContact O-N 2.88Å; N131-H135 VanDerWaalsContact O-N 3.12Å; N131-H135 PolarHBondContact O-ND1 3.42Å; N131-H135 PolarHBondContact OD1-ND1 2.95Å; F132-H135 PolarHBondContact O-N 3.37Å; F132-H135 VanDerWaalsContact O-N 3.08Å; I133-H135 PolarHBondContact O-N 3.44Å; H135-I137 PolarHBondContact O-N 2.89Å; H135-A138 PolarHBondContact O-N 2.83Å; H135-I139 HydrophobicContact CB-CD1 3.91Å; H135-I139 HydrophobicContact CB-CG1 4.45Å; H135-I139 VanDerWaalsContact O-CB 3.31Å; H135-I139 WeakPolarHBondContact O-CB 3.23Å; H135-I139 WeakPolarHBondContact O-CG1 3.49Å; H135-I139 PolarHBondContact O-N 3.46Å; H135-M167 HydrophobicContact CB-CE 3.77Å; H135-M167 HydrophobicContact CB-SD 4.17Å
136V96.3Very high96Very high45 Ų4533.3 Ų33.327%0.27319%0.185SC..Hα-helixtrans-60.3-31.7179.5171.90000112.1F132 I133 P140 V164 V168F132-V136 HydrophobicContact CD1-CG2 4.33Å; F132-V136 HydrophobicContact CD2-CG2 3.96Å; F132-V136 HydrophobicContact CE1-CG2 3.84Å; F132-V136 HydrophobicContact CE2-CG2 3.41Å; F132-V136 VanDerWaalsContact CE2-CG2 3.41Å; F132-V136 HydrophobicContact CG-CG2 4.39Å; F132-V136 HydrophobicContact CZ-CG2 3.36Å; F132-V136 WeakPolarHBondContact O-CG2 3.41Å; F132-V136 PolarHBondContact O-N 3.25Å; I133-V136 PolarHBondContact O-N 3.47Å; V136-P140 WeakPolarHBondContact O-CD 3.49Å; V136-P140 VanDerWaalsContact O-CG 3.24Å; V136-P140 WeakPolarHBondContact O-CG 3.27Å; V136-V164 HydrophobicContact CG2-CG2 4.46Å; V136-V168 HydrophobicContact CG1-CG2 4.39Å; V136-V168 HydrophobicContact CG2-CG2 3.85Å
137I97.4Very high96.1Very high64 Ų6430.5 Ų30.533%0.32818%0.179SC..Hα-helixtrans-82.3-50.1175.3-63.6168.4000110.8I97 F101 I133 C134 H135 P140 C141I97-I137 HydrophobicContact CG2-CG2 4.41Å; F101-I137 HydrophobicContact CD1-CD1 4.27Å; F101-I137 HydrophobicContact CD2-CG2 4.05Å; F101-I137 HydrophobicContact CE1-CD1 3.71Å; F101-I137 HydrophobicContact CE2-CG2 4.06Å; F101-I137 HydrophobicContact CG-CG2 4.32Å; F101-I137 HydrophobicContact CZ-CD1 3.98Å; F101-I137 HydrophobicContact CZ-CG2 4.32Å; I133-I137 HydrophobicContact CG2-CD1 3.96Å; I133-I137 WeakPolarHBondContact O-CG1 3.49Å; I133-I137 PolarHBondContact O-N 3.42Å; I133-I137 VanDerWaalsContact O-N 3.17Å; C134-I137 PolarHBondContact O-N 2.83Å; H135-I137 PolarHBondContact O-N 2.89Å; I137-P140 WeakPolarHBondContact O-CD 3.26Å; I137-C141 PolarHBondContact O-N 3.47Å; I137-C141 PolarHBondContact O-SG 2.81Å; I137-C141 VanDerWaalsContact O-SG 3.35Å
138A98Very high96Very high1 Ų131.3 Ų31.31%0.00819%0.187CC..Hα-helixtrans-72.5-34.2-170.300000113.8F101 M102 C134 H135 C141 G142F101-A138 HydrophobicContact CB-CB 3.94Å; M102-A138 HydrophobicContact CG-CB 3.61Å; M102-A138 HydrophobicContact SD-CB 3.61Å; C134-A138 WeakPolarHBondContact O-CB 3.45Å; C134-A138 PolarHBondContact O-N 3.29Å; H135-A138 PolarHBondContact O-N 2.83Å; A138-C141 PolarHBondContact O-N 3.27Å; A138-G142 PolarHBondContact O-N 2.82Å
139I98.2Very high95.9Very high0 Ų029.6 Ų29.60%018%0.175CC..Hα-helixtrans-65.4-50.2-177.3-64.6168.7000111.3H135 G142 A143 R160 V163 V164 M167 L220H135-I139 HydrophobicContact CB-CD1 3.91Å; H135-I139 HydrophobicContact CB-CG1 4.45Å; H135-I139 VanDerWaalsContact O-CB 3.31Å; H135-I139 WeakPolarHBondContact O-CB 3.23Å; H135-I139 WeakPolarHBondContact O-CG1 3.49Å; H135-I139 PolarHBondContact O-N 3.46Å; I139-G142 PolarHBondContact O-N 3.28Å; I139-A143 PolarHBondContact O-N 3.36Å; I139-R160 HydrophobicContact CG2-CB 3.75Å; I139-R160 HydrophobicContact CG2-CG 4.22Å; I139-R160 WeakPolarHBondContact CG2-O 3.26Å; I139-V163 HydrophobicContact CD1-CG1 4.06Å; I139-V164 HydrophobicContact CB-CB 4.37Å; I139-V164 HydrophobicContact CB-CG2 4.48Å; I139-V164 HydrophobicContact CG2-CB 4.05Å; I139-M167 HydrophobicContact CD1-SD 3.82Å; I139-L220 HydrophobicContact CD1-CD1 4.44Å; I139-L220 HydrophobicContact CD1-CD2 3.79Å; I139-L220 HydrophobicContact CG1-CD1 4.08Å; I139-L220 HydrophobicContact CG1-CD2 3.69Å
140P98.2Very high95.8Very high47 Ų4726.7 Ų26.731%0.30516%0.161SC..Hα-helixtrans-61.4-41.8173.8-24.935.8000113.1V136 I137 G142 A143 V144 V164V136-P140 WeakPolarHBondContact O-CD 3.49Å; V136-P140 VanDerWaalsContact O-CG 3.24Å; V136-P140 WeakPolarHBondContact O-CG 3.27Å; I137-P140 WeakPolarHBondContact O-CD 3.26Å; P140-G142 VanDerWaalsContact C-N 3.3Å; P140-G142 PolarHBondContact O-N 2.88Å; P140-A143 WeakPolarHBondContact O-CB 3.46Å; P140-A143 PolarHBondContact O-N 3.3Å; P140-A143 VanDerWaalsContact O-N 3.1Å; P140-V144 PolarHBondContact O-N 3.43Å; P140-V164 HydrophobicContact CG-CG1 4.42Å; P140-V164 HydrophobicContact CG-CG2 4.15Å
141C98.1Very high95.3Very high32 Ų3232.6 Ų32.622%0.21619%0.191CC..Hα-helixtrans-60-41.7174.8-72.70000111.7I94 V98 I137 A138 A143 V144 V145I94-C141 HydrophobicContact CG2-CB 3.81Å; I94-C141 WeakPolarHBondContact CG2-O 3.34Å; V98-C141 HydrophobicContact CG2-CB 3.49Å; V98-C141 VanDerWaalsContact CG2-CB 3.49Å; I137-C141 PolarHBondContact O-N 3.47Å; I137-C141 PolarHBondContact O-SG 2.81Å; I137-C141 VanDerWaalsContact O-SG 3.35Å; A138-C141 PolarHBondContact O-N 3.27Å; C141-A143 VanDerWaalsContact C-N 3.31Å; C141-A143 PolarHBondContact O-N 3.5Å; C141-V144 PolarHBondContact O-N 3.35Å; C141-V145 WeakPolarHBondContact O-CG2 3.45Å; C141-V145 PolarHBondContact O-N 2.94Å; C141-V145 VanDerWaalsContact O-N 3.1Å
142G97.6Very high95.2Very high0 Ų037 Ų370%021%0.209CC..Hα-helixtrans-63.6-35.3173.700000112.9A138 I139 P140 V145 I146A138-G142 PolarHBondContact O-N 2.82Å; I139-G142 PolarHBondContact O-N 3.28Å; P140-G142 VanDerWaalsContact C-N 3.3Å; P140-G142 PolarHBondContact O-N 2.88Å; G142-V145 PolarHBondContact O-N 3.39Å; G142-I146 PolarHBondContact O-N 3.4Å
143A97.8Very high95.2Very high9 Ų940.9 Ų40.97%0.07422%0.223CC..Hα-helixtrans-64.9-40173.700000111.8I139 P140 C141 V145 I146 A147 C157 R160I139-A143 PolarHBondContact O-N 3.36Å; P140-A143 WeakPolarHBondContact O-CB 3.46Å; P140-A143 PolarHBondContact O-N 3.3Å; P140-A143 VanDerWaalsContact O-N 3.1Å; C141-A143 VanDerWaalsContact C-N 3.31Å; C141-A143 PolarHBondContact O-N 3.5Å; A143-V145 VanDerWaalsContact C-N 3.3Å; A143-V145 PolarHBondContact O-N 2.86Å; A143-I146 WeakPolarHBondContact O-CG2 3.38Å; A143-I146 PolarHBondContact O-N 2.97Å; A143-A147 VanDerWaalsContact O-CB 3.3Å; A143-A147 WeakPolarHBondContact O-CB 3.47Å; A143-A147 PolarHBondContact O-N 2.95Å; A143-C157 PolarHBondContact O-SG 3.19Å; A143-C157 VanDerWaalsContact O-SG 3.34Å; A143-R160 HydrophobicContact CB-CB 4.03Å
144V96.5Very high95.2Very high72 Ų7243.2 Ų43.244%0.43623%0.234SC..Hα-helixtrans-62-40.9173.31760000111.1I94 P140 C141 A147 C148I94-V144 HydrophobicContact CD1-CG1 4.06Å; P140-V144 PolarHBondContact O-N 3.43Å; C141-V144 PolarHBondContact O-N 3.35Å; V144-A147 WeakPolarHBondContact O-CB 3.44Å; V144-A147 PolarHBondContact O-N 3.01Å; V144-C148 PolarHBondContact O-N 2.92Å; V144-C148 PolarHBondContact O-SG 3.17Å
145V95.8Very high95Very high0 Ų048.4 Ų48.40%026%0.261CS..Hα-helixtrans-62.5-49.6176.4173.30000111.3W74 A78 L91 I94 L95 C141 G142 A143 A147 C148 L149W74-V145 HydrophobicContact CH2-CB 3.95Å; W74-V145 HydrophobicContact CH2-CG1 3.7Å; W74-V145 HydrophobicContact CZ2-CG1 4.48Å; W74-V145 HydrophobicContact CZ3-CG1 4.32Å; A78-V145 HydrophobicContact CB-CG1 4.13Å; L91-V145 HydrophobicContact CD1-CB 4.45Å; L91-V145 HydrophobicContact CD1-CG2 3.99Å; I94-V145 HydrophobicContact CB-CG2 4.36Å; I94-V145 HydrophobicContact CG2-CG2 3.77Å; L95-V145 HydrophobicContact CD1-CG1 4.35Å; C141-V145 WeakPolarHBondContact O-CG2 3.45Å; C141-V145 PolarHBondContact O-N 2.94Å; C141-V145 VanDerWaalsContact O-N 3.1Å; G142-V145 PolarHBondContact O-N 3.39Å; A143-V145 VanDerWaalsContact C-N 3.3Å; A143-V145 PolarHBondContact O-N 2.86Å; V145-A147 VanDerWaalsContact C-N 3.3Å; V145-A147 PolarHBondContact O-N 3.33Å; V145-C148 PolarHBondContact O-N 3.38Å; V145-C148 VanDerWaalsContact O-N 3.09Å; V145-L149 HydrophobicContact CG1-CD1 3.64Å; V145-L149 HydrophobicContact CG1-CG 4.45Å; V145-L149 WeakPolarHBondContact O-CG 3.11Å; V145-L149 PolarHBondContact O-N 2.85Å
146I94.6Very high95Very high0 Ų048.6 Ų48.60%026%0.262CS..Hα-helixtrans-66.7-33-178.5-155.566.4000112.1W74 G142 A143 C148 L149 S150 F156 C157 E227 F231W74-I146 HydrophobicContact CZ2-CD1 4.36Å; G142-I146 PolarHBondContact O-N 3.4Å; A143-I146 WeakPolarHBondContact O-CG2 3.38Å; A143-I146 PolarHBondContact O-N 2.97Å; I146-C148 PolarHBondContact O-N 3.42Å; I146-L149 PolarHBondContact O-N 3.23Å; I146-L149 VanDerWaalsContact O-N 3.13Å; I146-S150 PolarHBondContact O-N 3.41Å; I146-F156 HydrophobicContact CD1-CD2 4.29Å; I146-F156 HydrophobicContact CG1-CB 3.84Å; I146-F156 HydrophobicContact CG1-CD2 3.76Å; I146-F156 HydrophobicContact CG1-CG 4.14Å; I146-F156 HydrophobicContact CG2-CB 3.86Å; I146-C157 VanDerWaalsContact CG2-SG 3.55Å; I146-E227 HydrophobicContact CD1-CB 4.42Å; I146-E227 HydrophobicContact CD1-CG 4.13Å; I146-E227 HydrophobicContact CG1-CG 4.33Å; I146-F231 HydrophobicContact CD1-CE1 3.49Å; I146-F231 VanDerWaalsContact CD1-CE1 3.49Å; I146-F231 HydrophobicContact CD1-CZ 3.39Å
147A94.4Very high95.1Very high42 Ų4247.1 Ų47.135%0.34725%0.253SS..Hα-helixtrans-55.5-33.8171.900000113.3A143 V144 V145 W153A143-A147 VanDerWaalsContact O-CB 3.3Å; A143-A147 WeakPolarHBondContact O-CB 3.47Å; A143-A147 PolarHBondContact O-N 2.95Å; V144-A147 WeakPolarHBondContact O-CB 3.44Å; V144-A147 PolarHBondContact O-N 3.01Å; V145-A147 VanDerWaalsContact C-N 3.3Å; V145-A147 PolarHBondContact O-N 3.33Å; A147-W153 HydrophobicContact CB-CE3 4.44Å
148C91.6Very high95.1Very high46 Ų4651 Ų5131%0.31127%0.267SS..Hα-helixtrans-88.4-13.6-178.5-610000113.8L91 V144 V145 I146L91-C148 HydrophobicContact CD1-CB 4.2Å; L91-C148 HydrophobicContact CD2-CB 3.58Å; V144-C148 PolarHBondContact O-N 2.92Å; V144-C148 PolarHBondContact O-SG 3.17Å; V145-C148 PolarHBondContact O-N 3.38Å; V145-C148 VanDerWaalsContact O-N 3.09Å; I146-C148 PolarHBondContact O-N 3.42Å
149L90Very high95.1Very high19 Ų1951.8 Ų51.810%0.09928%0.276CS..Hα-helixtrans-117.2-42.9-166.9-67-178.3000114.6A78 Q81 I82 I85 L91 V145 I146A78-L149 HydrophobicContact CB-CD1 3.8Å; Q81-L149 HydrophobicContact CB-CD1 4.46Å; Q81-L149 HydrophobicContact CB-CD2 4.06Å; I82-L149 HydrophobicContact CD1-CD1 4.4Å; I82-L149 HydrophobicContact CG1-CD1 3.87Å; I82-L149 HydrophobicContact CG1-CD2 3.72Å; I82-L149 HydrophobicContact CG1-CG 4.25Å; I85-L149 HydrophobicContact CD1-CD2 4.18Å; L91-L149 HydrophobicContact CD2-CD2 4.47Å; V145-L149 HydrophobicContact CG1-CD1 3.64Å; V145-L149 HydrophobicContact CG1-CG 4.45Å; V145-L149 WeakPolarHBondContact O-CG 3.11Å; V145-L149 PolarHBondContact O-N 2.85Å; I146-L149 PolarHBondContact O-N 3.23Å; I146-L149 VanDerWaalsContact O-N 3.13Å
150S89.4Confident95.1Very high7 Ų751.8 Ų51.85%0.04928%0.276CS..  trans-96.2140.3-173.1178.30000112.2I146 K152 W153 D230I146-S150 PolarHBondContact O-N 3.41Å; S150-K152 PolarHBondContact O-N 2.88Å; S150-K152 PolarHBondContact OG-N 2.95Å; S150-W153 WeakPolarHBondContact O-CB 3.43Å; S150-W153 PolarHBondContact O-N 2.95Å; S150-D230 PolarHBondContact OG-OD2 3.43Å
151N87.1Confident95Very high162 Ų16253.6 Ų53.687%0.86628%0.282SS*.THydrogen-bonded Turntrans-66.2-22.2169.7-69.1-27.2000112.4W153N151-W153 VanDerWaalsContact C-N 3.31Å
152K92.8Very high95Very high104 Ų10456.9 Ų56.945%0.45229%0.293SS..THydrogen-bonded Turntrans-97.525.2176.4-62.7179.6-169.8142.90112.3S150 M154 L155 F156 D230S150-K152 PolarHBondContact O-N 2.88Å; S150-K152 PolarHBondContact OG-N 2.95Å; K152-M154 PolarHBondContact O-N 2.97Å; K152-M154 VanDerWaalsContact O-N 3.09Å; K152-L155 PolarHBondContact O-N 3.25Å; K152-L155 VanDerWaalsContact O-N 3.09Å; K152-F156 HydrophobicContact CB-CD2 4.33Å; K152-F156 HydrophobicContact CB-CE2 4.02Å; K152-F156 PolarHBondContact O-N 2.78Å; K152-D230 IonicContact NZ-OD1 3.37Å; K152-D230 PolarHBondContact NZ-OD1 3.18Å
153W93.1Very high95Very high116 Ų11657 Ų5744%0.43929%0.294SS..Hα-helixtrans-52.7-37.3-172.665.1-88.2000114.2A147 S150 N151 L155 F156 C157A147-W153 HydrophobicContact CB-CE3 4.44Å; S150-W153 WeakPolarHBondContact O-CB 3.43Å; S150-W153 PolarHBondContact O-N 2.95Å; N151-W153 VanDerWaalsContact C-N 3.31Å; W153-L155 VanDerWaalsContact C-N 3.3Å; W153-L155 PolarHBondContact O-N 3.33Å; W153-F156 PolarHBondContact O-N 3.44Å; W153-C157 HydrophobicContact CE3-CB 4.45Å; W153-C157 VanDerWaalsContact O-CB 3.25Å; W153-C157 WeakPolarHBondContact O-CB 3.48Å; W153-C157 PolarHBondContact O-N 3.49Å; W153-C157 PolarHBondContact O-SG 3.47Å
154M95.9Very high95Very high128 Ų12857.1 Ų57.163%0.63129%0.294SS*.Hα-helixtrans-57.4-44.1-178.9-72.5-174.5-76.400111.8K152 F158K152-M154 PolarHBondContact O-N 2.97Å; K152-M154 VanDerWaalsContact O-N 3.09Å; M154-F158 WeakPolarHBondContact O-CB 3.49Å; M154-F158 PolarHBondContact O-N 3.11Å
155L95.6Very high95.1Very high116 Ų11658.4 Ų58.461%0.60730%0.297SS*.Hα-helixtrans-63.9-48.9179.4179.967.8000111K152 W153 F158 G159K152-L155 PolarHBondContact O-N 3.25Å; K152-L155 VanDerWaalsContact O-N 3.09Å; W153-L155 VanDerWaalsContact C-N 3.3Å; W153-L155 PolarHBondContact O-N 3.33Å; L155-F158 PolarHBondContact O-N 2.99Å; L155-G159 PolarHBondContact O-N 2.96Å
156F96.9Very high95.1Very high11 Ų1160.1 Ų60.15%0.04831%0.305CS..Hα-helixtrans-69.7-40.3-177.6-64.3-44.9000112.8I146 K152 W153 G159 R160 L226 E227 D230I146-F156 HydrophobicContact CD1-CD2 4.29Å; I146-F156 HydrophobicContact CG1-CB 3.84Å; I146-F156 HydrophobicContact CG1-CD2 3.76Å; I146-F156 HydrophobicContact CG1-CG 4.14Å; I146-F156 HydrophobicContact CG2-CB 3.86Å; K152-F156 HydrophobicContact CB-CD2 4.33Å; K152-F156 HydrophobicContact CB-CE2 4.02Å; K152-F156 PolarHBondContact O-N 2.78Å; W153-F156 PolarHBondContact O-N 3.44Å; F156-G159 PolarHBondContact O-N 3.28Å; F156-R160 WeakPolarHBondContact O-CB 3.33Å; F156-R160 WeakPolarHBondContact O-CG 3.34Å; F156-R160 PolarHBondContact O-N 3.13Å; F156-L226 HydrophobicContact CE1-CB 3.85Å; F156-E227 HydrophobicContact CB-CG 4.21Å; F156-E227 HydrophobicContact CD1-CG 3.5Å; F156-E227 HydrophobicContact CD2-CG 3.93Å; F156-E227 HydrophobicContact CE1-CG 3.71Å; F156-E227 HydrophobicContact CE2-CG 4.09Å; F156-E227 HydrophobicContact CG-CG 3.62Å; F156-E227 HydrophobicContact CZ-CG 4Å; F156-D230 HydrophobicContact CE2-CB 4.01Å; F156-D230 HydrophobicContact CZ-CB 3.97Å
157C97.5Very high95.2Very high13 Ų1360.1 Ų60.19%0.08831%0.305CS..Hα-helixtrans-63.9-44.7174.9-66.90000110.8A143 I146 W153 G159 R160 L161A143-C157 PolarHBondContact O-SG 3.19Å; A143-C157 VanDerWaalsContact O-SG 3.34Å; I146-C157 VanDerWaalsContact CG2-SG 3.55Å; W153-C157 HydrophobicContact CE3-CB 4.45Å; W153-C157 VanDerWaalsContact O-CB 3.25Å; W153-C157 WeakPolarHBondContact O-CB 3.48Å; W153-C157 PolarHBondContact O-N 3.49Å; W153-C157 PolarHBondContact O-SG 3.47Å; C157-G159 PolarHBondContact O-N 3.47Å; C157-R160 PolarHBondContact O-N 3.18Å; C157-L161 WeakPolarHBondContact O-CB 3.41Å; C157-L161 VanDerWaalsContact O-CG 3.24Å; C157-L161 WeakPolarHBondContact O-CG 3.45Å; C157-L161 PolarHBondContact O-N 3.36Å
158F97.6Very high95.4Very high145 Ų14561 Ų6164%0.63631%0.306SS*.Hα-helixtrans-60.7-45.9176-178.1-97.5000111.4M154 L155 R160 L161 F162M154-F158 WeakPolarHBondContact O-CB 3.49Å; M154-F158 PolarHBondContact O-N 3.11Å; L155-F158 PolarHBondContact O-N 2.99Å; F158-R160 PolarHBondContact O-N 3.4Å; F158-L161 PolarHBondContact O-N 3.28Å; F158-F162 WeakPolarHBondContact O-CB 3.16Å; F158-F162 PolarHBondContact O-N 3.43Å
159G97.8Very high95.7Very high18 Ų1863.9 Ų63.919%0.18632%0.318CS..Hα-helixtrans-58.1-47.2175.800000112.7L155 F156 C157 L161 F162 V163L155-G159 PolarHBondContact O-N 2.96Å; F156-G159 PolarHBondContact O-N 3.28Å; C157-G159 PolarHBondContact O-N 3.47Å; G159-L161 PolarHBondContact O-N 2.97Å; G159-F162 PolarHBondContact O-N 3.18Å; G159-V163 WeakPolarHBondContact O-CG2 3.5Å; G159-V163 PolarHBondContact O-N 3.44Å
160R98Very high95.9Very high1 Ų163.2 Ų63.20%0.00432%0.315CS..Hα-helixtrans-63.4-41.5177.2-74.9178.6172.8-87.7-2.9112.5I139 A143 F156 C157 F158 V163 V164 I223 E227I139-R160 HydrophobicContact CG2-CB 3.75Å; I139-R160 HydrophobicContact CG2-CG 4.22Å; I139-R160 WeakPolarHBondContact CG2-O 3.26Å; A143-R160 HydrophobicContact CB-CB 4.03Å; F156-R160 WeakPolarHBondContact O-CB 3.33Å; F156-R160 WeakPolarHBondContact O-CG 3.34Å; F156-R160 PolarHBondContact O-N 3.13Å; C157-R160 PolarHBondContact O-N 3.18Å; F158-R160 PolarHBondContact O-N 3.4Å; R160-V163 PolarHBondContact O-N 3.08Å; R160-V164 PolarHBondContact O-N 2.81Å; R160-I223 HydrophobicContact CG-CG2 4.22Å; R160-E227 IonicContact CZ-OE1 3.49Å; R160-E227 IonicContact CZ-OE2 2.7Å; R160-E227 IonicContact NE-OE1 2.79Å; R160-E227 PolarHBondContact NE-OE1 3.21Å; R160-E227 IonicContact NE-OE2 3.56Å; R160-E227 IonicContact NH2-OE1 2.79Å; R160-E227 PolarHBondContact NH2-OE1 2.98Å; R160-E227 IonicContact NH2-OE2 3.57Å; R160-E227 PolarHBondContact NH2-OE2 3.39Å
161L97Very high96.1Very high84 Ų8463.9 Ų63.944%0.4432%0.32SS..Hα-helixtrans-67.9-39.2177.5-71.8173.9000111.9C157 F158 G159 V164 I165C157-L161 WeakPolarHBondContact O-CB 3.41Å; C157-L161 VanDerWaalsContact O-CG 3.24Å; C157-L161 WeakPolarHBondContact O-CG 3.45Å; C157-L161 PolarHBondContact O-N 3.36Å; F158-L161 PolarHBondContact O-N 3.28Å; G159-L161 PolarHBondContact O-N 2.97Å; L161-V164 HydrophobicContact CD2-CG1 4.49Å; L161-V164 WeakPolarHBondContact O-CG1 3.32Å; L161-V164 PolarHBondContact O-N 2.86Å; L161-I165 WeakPolarHBondContact O-CB 3.21Å; L161-I165 WeakPolarHBondContact O-CD1 3.22Å; L161-I165 WeakPolarHBondContact O-CG1 3.3Å; L161-I165 PolarHBondContact O-N 3.4Å
162F97.9Very high96.5Very high102 Ų10259 Ų5945%0.44730%0.303SS..Hα-helixtrans-58.7-50.7172.9173.9-94.9000110.8F158 G159 V164 I165 Q166F158-F162 WeakPolarHBondContact O-CB 3.16Å; F158-F162 PolarHBondContact O-N 3.43Å; G159-F162 PolarHBondContact O-N 3.18Å; F162-V164 PolarHBondContact O-N 3.27Å; F162-I165 PolarHBondContact O-N 2.71Å; F162-Q166 WeakPolarHBondContact O-CB 3.36Å; F162-Q166 PolarHBondContact O-N 3.47Å
163V98.1Very high96.7Very high1 Ų156 Ų561%0.00630%0.295CS..Hα-helixtrans-60.3-46.2179.3171.60000111.6I139 G159 R160 I165 Q166 M167 G216 E219 L220 I223I139-V163 HydrophobicContact CD1-CG1 4.06Å; G159-V163 WeakPolarHBondContact O-CG2 3.5Å; G159-V163 PolarHBondContact O-N 3.44Å; R160-V163 PolarHBondContact O-N 3.08Å; V163-I165 VanDerWaalsContact C-N 3.34Å; V163-I165 PolarHBondContact O-N 3.34Å; V163-Q166 PolarHBondContact O-N 3.44Å; V163-M167 HydrophobicContact CG1-CG 4.27Å; V163-M167 HydrophobicContact CG1-SD 3.92Å; V163-M167 VanDerWaalsContact O-CG 3.3Å; V163-M167 WeakPolarHBondContact O-CG 3.29Å; V163-M167 PolarHBondContact O-N 2.93Å; V163-G216 VanDerWaalsContact CG1-O 3.27Å; V163-G216 WeakPolarHBondContact CG1-O 3.47Å; V163-E219 HydrophobicContact CG2-CB 3.79Å; V163-L220 HydrophobicContact CG1-CB 4.29Å; V163-I223 HydrophobicContact CG2-CD1 3.78Å
164V97.6Very high96.7Very high13 Ų1352.6 Ų52.68%0.07928%0.283CS..Hα-helixtrans-66-38-178.979.70000111.7V136 I139 P140 R160 L161 F162 M167 V168V136-V164 HydrophobicContact CG2-CG2 4.46Å; I139-V164 HydrophobicContact CB-CB 4.37Å; I139-V164 HydrophobicContact CB-CG2 4.48Å; I139-V164 HydrophobicContact CG2-CB 4.05Å; P140-V164 HydrophobicContact CG-CG1 4.42Å; P140-V164 HydrophobicContact CG-CG2 4.15Å; R160-V164 PolarHBondContact O-N 2.81Å; L161-V164 HydrophobicContact CD2-CG1 4.49Å; L161-V164 WeakPolarHBondContact O-CG1 3.32Å; L161-V164 PolarHBondContact O-N 2.86Å; F162-V164 PolarHBondContact O-N 3.27Å; V164-M167 PolarHBondContact O-N 2.91Å; V164-V168 WeakPolarHBondContact O-CB 3.28Å; V164-V168 VanDerWaalsContact O-CG2 3.23Å; V164-V168 WeakPolarHBondContact O-CG2 3.37Å; V164-V168 PolarHBondContact O-N 3.36Å
165I98Very high96.4Very high98 Ų9849.3 Ų49.350%0.50327%0.27SS..Hα-helixtrans-64.9-45.7175.6-69.4167.6000110.1L161 F162 V163 M167 V168 L169L161-I165 WeakPolarHBondContact O-CB 3.21Å; L161-I165 WeakPolarHBondContact O-CD1 3.22Å; L161-I165 WeakPolarHBondContact O-CG1 3.3Å; L161-I165 PolarHBondContact O-N 3.4Å; F162-I165 PolarHBondContact O-N 2.71Å; V163-I165 VanDerWaalsContact C-N 3.34Å; V163-I165 PolarHBondContact O-N 3.34Å; I165-M167 PolarHBondContact O-N 3.02Å; I165-V168 PolarHBondContact O-N 2.83Å; I165-L169 HydrophobicContact CG2-CD1 3.77Å; I165-L169 HydrophobicContact CG2-CG 4.26Å; I165-L169 WeakPolarHBondContact O-CB 3.26Å; I165-L169 WeakPolarHBondContact O-CG 3.34Å; I165-L169 PolarHBondContact O-N 3.27Å
166Q97.4Very high96.4Very high36 Ų3648.9 Ų48.917%0.16826%0.264CS..Hα-helixtrans-57.3-47.4175.6173.7174.8-52.700111.6F162 V163 G170 C212 E219F162-Q166 WeakPolarHBondContact O-CB 3.36Å; F162-Q166 PolarHBondContact O-N 3.47Å; V163-Q166 PolarHBondContact O-N 3.44Å; Q166-G170 PolarHBondContact O-N 2.96Å; Q166-C212 HydrophobicContact CG-CB 4.25Å; Q166-C212 PolarHBondContact NE2-O 3.05Å; Q166-E219 PolarHBondContact NE2-OE2 3.38Å; Q166-E219 PolarHBondContact OE1-OE2 2.88Å
167M96.7Very high96.2Very high0 Ų050.9 Ų50.90%027%0.273CS..Hα-helixtrans-64.1-43.4178.5-68.4-1808200111.2F132 H135 I139 V163 V164 I165 G170 S171 V213F132-M167 HydrophobicContact CD2-CB 4.41Å; F132-M167 HydrophobicContact CE2-CB 4Å; F132-M167 WeakPolarHBondContact CE2-O 3.5Å; H135-M167 HydrophobicContact CB-CE 3.77Å; H135-M167 HydrophobicContact CB-SD 4.17Å; I139-M167 HydrophobicContact CD1-SD 3.82Å; V163-M167 HydrophobicContact CG1-CG 4.27Å; V163-M167 HydrophobicContact CG1-SD 3.92Å; V163-M167 VanDerWaalsContact O-CG 3.3Å; V163-M167 WeakPolarHBondContact O-CG 3.29Å; V163-M167 PolarHBondContact O-N 2.93Å; V164-M167 PolarHBondContact O-N 2.91Å; I165-M167 PolarHBondContact O-N 3.02Å; M167-G170 PolarHBondContact O-N 3.37Å; M167-S171 WeakPolarHBondContact O-CB 3.38Å; M167-S171 PolarHBondContact O-N 2.99Å; M167-S171 PolarHBondContact O-OG 2.59Å; M167-S171 VanDerWaalsContact O-OG 3.11Å; M167-V213 HydrophobicContact CE-CG1 3.96Å
168V97.6Very high95.8Very high62 Ų6251.6 Ų51.638%0.37628%0.276SS..Hα-helixtrans-63.9-47.1179169.40000111.7F132 V136 V164 I165 S171 A172F132-V168 HydrophobicContact CE2-CG2 4.41Å; F132-V168 HydrophobicContact CZ-CG2 4.04Å; V136-V168 HydrophobicContact CG1-CG2 4.39Å; V136-V168 HydrophobicContact CG2-CG2 3.85Å; V164-V168 WeakPolarHBondContact O-CB 3.28Å; V164-V168 VanDerWaalsContact O-CG2 3.23Å; V164-V168 WeakPolarHBondContact O-CG2 3.37Å; V164-V168 PolarHBondContact O-N 3.36Å; I165-V168 PolarHBondContact O-N 2.83Å; V168-S171 PolarHBondContact O-N 3.09Å; V168-A172 WeakPolarHBondContact O-CB 3.26Å; V168-A172 PolarHBondContact O-N 3.12Å
169L97.1Very high95.5Very high106 Ų10649.8 Ų49.856%0.55527%0.271SS*.Hα-helixtrans-65.2-41.3177.2-69.1176.7000111.5I165 S173I165-L169 HydrophobicContact CG2-CD1 3.77Å; I165-L169 HydrophobicContact CG2-CG 4.26Å; I165-L169 WeakPolarHBondContact O-CB 3.26Å; I165-L169 WeakPolarHBondContact O-CG 3.34Å; I165-L169 PolarHBondContact O-N 3.27Å; L169-S173 WeakPolarHBondContact O-CB 3.37Å; L169-S173 PolarHBondContact O-N 3.2Å; L169-S173 PolarHBondContact O-OG 3.11Å
170G95.2Very high95.2Very high4 Ų451.9 Ų51.94%0.04128%0.277CS..Hα-helixtrans-58.8-53.2173.900000111.4Q166 M167 A172 S173 F174 S209Q166-G170 PolarHBondContact O-N 2.96Å; M167-G170 PolarHBondContact O-N 3.37Å; G170-A172 PolarHBondContact O-N 3.46Å; G170-S173 PolarHBondContact O-N 2.68Å; G170-F174 WeakPolarHBondContact O-CB 3.42Å; G170-F174 PolarHBondContact O-N 3.19Å; G170-S209 VanDerWaalsContact O-CB 3.32Å; G170-S209 WeakPolarHBondContact O-CB 3.4Å
171S94.1Very high94.6Very high22 Ų2251.8 Ų51.815%0.15428%0.277CS..Hα-helixtrans-63.5-41179.7-63.90000113.3F132 M167 V168 F174 V175 V213F132-S171 WeakPolarHBondContact CD2-OG 3.02Å; F132-S171 WeakPolarHBondContact CE2-OG 3.32Å; M167-S171 WeakPolarHBondContact O-CB 3.38Å; M167-S171 PolarHBondContact O-N 2.99Å; M167-S171 PolarHBondContact O-OG 2.59Å; M167-S171 VanDerWaalsContact O-OG 3.11Å; V168-S171 PolarHBondContact O-N 3.09Å; S171-F174 PolarHBondContact O-N 2.88Å; S171-V175 WeakPolarHBondContact O-CG2 3.48Å; S171-V175 PolarHBondContact O-N 3.4Å; S171-V175 VanDerWaalsContact O-N 3.08Å; S171-V213 WeakPolarHBondContact OG-CG2 3.27Å
172A95Very high94.2Very high60 Ų6052.3 Ų52.350%0.49628%0.28SS..Hα-helixtrans-63.5-43.2175.900000111.8V168 G170 V175 H176V168-A172 WeakPolarHBondContact O-CB 3.26Å; V168-A172 PolarHBondContact O-N 3.12Å; G170-A172 PolarHBondContact O-N 3.46Å; A172-V175 PolarHBondContact O-N 3.26Å; A172-H176 WeakPolarHBondContact O-CB 3.13Å; A172-H176 PolarHBondContact O-N 3.08Å
173S95.7Very high93.7Very high41 Ų4155.4 Ų55.429%0.28729%0.293SS..Hα-helixtrans-66.5-40.7177.7-58.10000111.5L169 G170 V175 H176 F177 S209L169-S173 WeakPolarHBondContact O-CB 3.37Å; L169-S173 PolarHBondContact O-N 3.2Å; L169-S173 PolarHBondContact O-OG 3.11Å; G170-S173 PolarHBondContact O-N 2.68Å; S173-V175 PolarHBondContact O-N 2.81Å; S173-H176 PolarHBondContact O-N 3.01Å; S173-F177 WeakPolarHBondContact O-CB 3.31Å; S173-F177 WeakPolarHBondContact O-CD2 3.06Å; S173-F177 PolarHBondContact O-N 3.41Å; S173-S209 WeakPolarHBondContact CB-OG 3.33Å
174F93Very high93.2Very high44 Ų4458.2 Ų58.219%0.19331%0.31CS..Hα-helixtrans-55.7-53.1174.3177.8-86.2000110.6Y42 G170 S171 H176 N178 S206 E210Y42-F174 HydrophobicContact CD1-CE2 4.12Å; Y42-F174 HydrophobicContact CE1-CD2 4.33Å; Y42-F174 AromaticContact CE1-CE2 3.62Å; Y42-F174 HydrophobicContact CE1-CE2 3.62Å; Y42-F174 HydrophobicContact CE1-CZ 4.42Å; G170-F174 WeakPolarHBondContact O-CB 3.42Å; G170-F174 PolarHBondContact O-N 3.19Å; S171-F174 PolarHBondContact O-N 2.88Å; F174-H176 VanDerWaalsContact C-N 3.34Å; F174-H176 PolarHBondContact O-N 3Å; F174-N178 WeakPolarHBondContact O-CB 3.4Å; F174-N178 PolarHBondContact O-N 3.49Å; F174-S206 WeakPolarHBondContact CD2-O 3.34Å; F174-E210 HydrophobicContact CD2-CB 3.95Å; F174-E210 HydrophobicContact CE2-CB 4.09Å
175V91.4Very high92.5Very high59 Ų5959.6 Ų59.636%0.35832%0.317SS..Hα-helixtrans-61.5-44.9179.4173.90000110.9S171 A172 S173 M179S171-V175 WeakPolarHBondContact O-CG2 3.48Å; S171-V175 PolarHBondContact O-N 3.4Å; S171-V175 VanDerWaalsContact O-N 3.08Å; A172-V175 PolarHBondContact O-N 3.26Å; S173-V175 PolarHBondContact O-N 2.81Å; V175-M179 HydrophobicContact CG1-CG 4.42Å; V175-M179 HydrophobicContact CG1-SD 3.98Å; V175-M179 WeakPolarHBondContact O-CB 3.43Å; V175-M179 VanDerWaalsContact O-CG 3.27Å; V175-M179 WeakPolarHBondContact O-CG 3.44Å; V175-M179 PolarHBondContact O-N 3.03Å
176H94.5Very high91.3Very high106 Ų10663.4 Ų63.449%0.49133%0.33SS..Hα-helixtrans-59.7-54.6-179.9179.876.2000112.4A172 S173 F174 M179 I180A172-H176 WeakPolarHBondContact O-CB 3.13Å; A172-H176 PolarHBondContact O-N 3.08Å; S173-H176 PolarHBondContact O-N 3.01Å; F174-H176 VanDerWaalsContact C-N 3.34Å; F174-H176 PolarHBondContact O-N 3Å; H176-M179 PolarHBondContact O-N 3.44Å; H176-I180 VanDerWaalsContact NE2-CD1 3.3Å; H176-I180 WeakPolarHBondContact NE2-CD1 3.27Å; H176-I180 WeakPolarHBondContact O-CG1 3.24Å; H176-I180 PolarHBondContact O-N 3.45Å; H176-I180 VanDerWaalsContact O-N 3.11Å
177F92.9Very high90Very high54 Ų5463 Ų6324%0.23733%0.332CS..Hα-helixtrans-69.5-36.5-178.2-74-62.4000112.3S173 M179 I180 G181 E202 W205S173-F177 WeakPolarHBondContact O-CB 3.31Å; S173-F177 WeakPolarHBondContact O-CD2 3.06Å; S173-F177 PolarHBondContact O-N 3.41Å; F177-M179 PolarHBondContact O-N 2.89Å; F177-I180 PolarHBondContact O-N 3.49Å; F177-G181 PolarHBondContact O-N 2.85Å; F177-E202 WeakPolarHBondContact CB-O 3.37Å; F177-W205 HydrophobicContact CB-CB 4.31Å; F177-W205 HydrophobicContact CD1-CB 3.82Å; F177-W205 HydrophobicContact CD1-CG 4.49Å; F177-W205 HydrophobicContact CD2-CB 3.61Å; F177-W205 HydrophobicContact CE1-CB 3.97Å; F177-W205 HydrophobicContact CE1-CG 4.22Å; F177-W205 HydrophobicContact CE2-CB 3.77Å; F177-W205 HydrophobicContact CE2-CG 4.33Å; F177-W205 HydrophobicContact CG-CB 3.65Å; F177-W205 HydrophobicContact CZ-CB 3.95Å; F177-W205 HydrophobicContact CZ-CG 4.14Å
178N89.6Confident88.7Confident28 Ų2873.1 Ų73.115%0.1538%0.376CS..Hα-helixtrans-62.7-42.4174.2-17028.2000111.4F174 I180 G181 L182 F190F174-N178 WeakPolarHBondContact O-CB 3.4Å; F174-N178 PolarHBondContact O-N 3.49Å; N178-I180 PolarHBondContact O-N 2.89Å; N178-G181 PolarHBondContact O-N 3.16Å; N178-L182 VanDerWaalsContact O-CB 3.31Å; N178-L182 WeakPolarHBondContact O-CB 3.42Å; N178-L182 VanDerWaalsContact O-CG 3.26Å; N178-L182 WeakPolarHBondContact O-CG 3.35Å; N178-L182 PolarHBondContact O-N 2.83Å; N178-F190 WeakPolarHBondContact OD1-CZ 3.33Å
179M90.6Very high87.5Confident107 Ų10772.1 Ų72.153%0.52737%0.369SS..Hα-helixtrans-63.8-40.1176.6-79.7-179.654.100113.3V175 H176 F177 K183V175-M179 HydrophobicContact CG1-CG 4.42Å; V175-M179 HydrophobicContact CG1-SD 3.98Å; V175-M179 WeakPolarHBondContact O-CB 3.43Å; V175-M179 VanDerWaalsContact O-CG 3.27Å; V175-M179 WeakPolarHBondContact O-CG 3.44Å; V175-M179 PolarHBondContact O-N 3.03Å; H176-M179 PolarHBondContact O-N 3.44Å; F177-M179 PolarHBondContact O-N 2.89Å; M179-K183 WeakPolarHBondContact O-CG 3.35Å
180I91.1Very high86.2Confident61 Ų6169.8 Ų69.831%0.31335%0.354SS..Hα-helixtrans-70.7-46.5177-62.9173.6000109.7H176 F177 N178 L182 K183 E202H176-I180 VanDerWaalsContact NE2-CD1 3.3Å; H176-I180 WeakPolarHBondContact NE2-CD1 3.27Å; H176-I180 WeakPolarHBondContact O-CG1 3.24Å; H176-I180 PolarHBondContact O-N 3.45Å; H176-I180 VanDerWaalsContact O-N 3.11Å; F177-I180 PolarHBondContact O-N 3.49Å; N178-I180 PolarHBondContact O-N 2.89Å; I180-L182 VanDerWaalsContact C-N 3.34Å; I180-L182 PolarHBondContact O-N 3.04Å; I180-K183 WeakPolarHBondContact O-CB 3.17Å; I180-K183 PolarHBondContact O-N 3.34Å; I180-E202 HydrophobicContact CB-CG 4.36Å; I180-E202 HydrophobicContact CG2-CG 3.88Å
181G86.7Confident85.1Confident0 Ų070.9 Ų70.90%036%0.358CS..Hα-helixtrans-55.4-47.2177.800000112F177 N178 K183 V184 L185F177-G181 PolarHBondContact O-N 2.85Å; N178-G181 PolarHBondContact O-N 3.16Å; G181-K183 PolarHBondContact O-N 3.01Å; G181-V184 WeakPolarHBondContact O-CG2 3.39Å; G181-V184 PolarHBondContact O-N 3.44Å; G181-V184 VanDerWaalsContact O-N 3.09Å; G181-L185 WeakPolarHBondContact O-CB 3.44Å; G181-L185 PolarHBondContact O-N 2.7Å
182L87.3Confident84.3Confident94 Ų9472.1 Ų72.149%0.49236%0.36SS..Hα-helixtrans-59.1-28.7177.5-79.9170.9000114N178 I180 F190 F203N178-L182 VanDerWaalsContact O-CB 3.31Å; N178-L182 WeakPolarHBondContact O-CB 3.42Å; N178-L182 VanDerWaalsContact O-CG 3.26Å; N178-L182 WeakPolarHBondContact O-CG 3.35Å; N178-L182 PolarHBondContact O-N 2.83Å; I180-L182 VanDerWaalsContact C-N 3.34Å; I180-L182 PolarHBondContact O-N 3.04Å; L182-F190 HydrophobicContact CD2-CD2 4.22Å; L182-F190 HydrophobicContact CD2-CE2 3.57Å; L182-F190 HydrophobicContact CG-CE2 4.23Å; L182-F203 HydrophobicContact CD2-CZ 4.4Å; L182-F203 HydrophobicContact CG-CZ 4.29Å
183K89.2Confident83.6Confident167 Ų16769.8 Ų69.873%0.72634%0.339SS*.Hα-helixtrans-74.5-26.4177.9-71174.1-178.1-179.40113.1M179 I180 G181M179-K183 WeakPolarHBondContact O-CG 3.35Å; I180-K183 WeakPolarHBondContact O-CB 3.17Å; I180-K183 PolarHBondContact O-N 3.34Å; G181-K183 PolarHBondContact O-N 3.01Å
184V86.8Confident82.9Confident60 Ų6071.4 Ų71.436%0.36434%0.34SS..Hα-helixtrans-108.9-7.2-176.8-61.50000112.8G181 K186 S198G181-V184 WeakPolarHBondContact O-CG2 3.39Å; G181-V184 PolarHBondContact O-N 3.44Å; G181-V184 VanDerWaalsContact O-N 3.09Å; V184-K186 PolarHBondContact O-N 3.29Å; V184-S198 WeakPolarHBondContact O-CB 3.29Å; V184-S198 PolarHBondContact O-OG 3.36Å
185L81.7Confident82.5Confident43 Ų4373.8 Ų73.823%0.22536%0.36CS..  trans-61.4123-173.2-171.660.9000111.9G181 A187 F190 I193 S198 F203G181-L185 WeakPolarHBondContact O-CB 3.44Å; G181-L185 PolarHBondContact O-N 2.7Å; L185-A187 HydrophobicContact CD1-CB 3.49Å; L185-A187 VanDerWaalsContact CD1-CB 3.49Å; L185-A187 HydrophobicContact CG-CB 4.16Å; L185-F190 HydrophobicContact CD2-CD2 3.75Å; L185-F190 HydrophobicContact CD2-CE2 4.36Å; L185-I193 HydrophobicContact CD1-CD1 3.8Å; L185-I193 HydrophobicContact CD1-CG1 4.3Å; L185-S198 WeakPolarHBondContact CA-O 3.39Å; L185-F203 HydrophobicContact CB-CE2 4.13Å; L185-F203 HydrophobicContact CD1-CD2 4.1Å; L185-F203 HydrophobicContact CD1-CE2 3.68Å; L185-F203 HydrophobicContact CD1-CZ 4.45Å; L185-F203 HydrophobicContact CD2-CE2 4.02Å; L185-F203 HydrophobicContact CD2-CZ 4.01Å; L185-F203 HydrophobicContact CG-CE2 4.15Å
186K73.1Confident82.2Confident178 Ų17879.3 Ų79.377%0.77438%0.376SS*.  trans-128.847.8167.7-61.3-178.9179.6179.30110.4V184 S198V184-K186 PolarHBondContact O-N 3.29Å; K186-S198 VanDerWaalsContact CB-OG 3.28Å; K186-S198 WeakPolarHBondContact CB-OG 3.36Å; K186-S198 WeakPolarHBondContact CG-OG 3.29Å; K186-S198 PolarHBondContact N-OG 2.89Å; K186-S198 VanDerWaalsContact N-OG 3.16Å
187A70.8Confident81.7Confident26 Ų2675.9 Ų75.922%0.21536%0.36CS..  trans-103.3154.617800000111.4L185 I193 E197L185-A187 HydrophobicContact CD1-CB 3.49Å; L185-A187 VanDerWaalsContact CD1-CB 3.49Å; L185-A187 HydrophobicContact CG-CB 4.16Å; A187-I193 HydrophobicContact CB-CG1 4.13Å; A187-I193 HydrophobicContact CB-CG2 4.33Å; A187-E197 HydrophobicContact CB-CB 4.36Å
188K69.2Low81.4Confident213 Ų21375.4 Ų75.493%0.92636%0.364SS*.SBendtrans-79.8-31.3174.5-68.9-175.7179.8-1790113
189D72.2Confident81.1Confident42 Ų4274.4 Ų74.423%0.22536%0.36CS..  trans-126.4125.4179.5-166.8-21.1000109.1Y49 F191 Y192 I193Y49-D189 PolarHBondContact OH-OD2 3.47Å; Y49-D189 VanDerWaalsContact OH-OD2 3.07Å; D189-F191 VanDerWaalsContact C-N 3.28Å; D189-F191 PolarHBondContact OD1-N 3.28Å; D189-Y192 CarbonylContact O-C 3.56Å; D189-I193 WeakPolarHBondContact O-CG1 3.36Å
190F70.4Confident80.9Confident57 Ų5770.9 Ų70.925%0.2534%0.341CS..SBendtrans-70.3-27.1178.8-177.5-92.5000112.3N178 L182 L185 F203N178-F190 WeakPolarHBondContact OD1-CZ 3.33Å; L182-F190 HydrophobicContact CD2-CD2 4.22Å; L182-F190 HydrophobicContact CD2-CE2 3.57Å; L182-F190 HydrophobicContact CG-CE2 4.23Å; L185-F190 HydrophobicContact CD2-CD2 3.75Å; L185-F190 HydrophobicContact CD2-CE2 4.36Å; F190-F203 AromaticContact CD2-CE1 3.98Å; F190-F203 HydrophobicContact CD2-CE1 3.98Å; F190-F203 HydrophobicContact CD2-CZ 4.07Å; F190-F203 HydrophobicContact CE1-CE1 4.3Å; F190-F203 HydrophobicContact CE2-CD1 4.4Å; F190-F203 AromaticContact CE2-CE1 3.24Å; F190-F203 HydrophobicContact CE2-CE1 3.24Å; F190-F203 AromaticContact CE2-CZ 3.45Å; F190-F203 HydrophobicContact CE2-CZ 3.45Å; F190-F203 VanDerWaalsContact CE2-CZ 3.45Å; F190-F203 HydrophobicContact CZ-CD1 4.43Å; F190-F203 AromaticContact CZ-CE1 3.45Å; F190-F203 HydrophobicContact CZ-CE1 3.45Å; F190-F203 VanDerWaalsContact CZ-CE1 3.45Å; F190-F203 HydrophobicContact CZ-CZ 4.12Å
191F71.9Confident80.8Confident26 Ų2673.2 Ų73.211%0.11435%0.353CS..SBendtrans-93.7-13.8-176.3-59.6-74.6000113A45 I48 T117 D189A45-F191 HydrophobicContact CB-CB 4.47Å; I48-F191 HydrophobicContact CD1-CB 3.53Å; I48-F191 HydrophobicContact CD1-CD1 3.41Å; I48-F191 VanDerWaalsContact CD1-CD1 3.41Å; I48-F191 HydrophobicContact CD1-CD2 3.51Å; I48-F191 HydrophobicContact CD1-CE1 3.9Å; I48-F191 HydrophobicContact CD1-CE2 3.99Å; I48-F191 HydrophobicContact CD1-CG 3.18Å; I48-F191 HydrophobicContact CD1-CZ 4.16Å; T117-F191 HydrophobicContact CG2-CE1 3.87Å; T117-F191 HydrophobicContact CG2-CZ 3.95Å; D189-F191 VanDerWaalsContact C-N 3.28Å; D189-F191 PolarHBondContact OD1-N 3.28Å
192Y77.7Confident81Confident49 Ų4975.7 Ų75.719%0.19236%0.364CS..SBendtrans-134.783.5177.9-175.4-113.5000110.2D34 I36 D189 K194D34-Y192 PolarHBondContact OD1-OH 3.01Å; D34-Y192 PolarHBondContact OD2-OH 3.35Å; I36-Y192 VanDerWaalsContact C-CE2 3.49Å; D189-Y192 CarbonylContact O-C 3.56Å; Y192-K194 HydrophobicContact CE1-CD 4.48Å; Y192-K194 HydrophobicContact CE1-CG 4.16Å
193I79.2Confident81.1Confident11 Ų1171.5 Ų71.56%0.05634%0.342CS..  trans-97.7126.4-179.8-56.8169.1000108.6L185 A187 D189 E197 Y200 F203L185-I193 HydrophobicContact CD1-CD1 3.8Å; L185-I193 HydrophobicContact CD1-CG1 4.3Å; A187-I193 HydrophobicContact CB-CG1 4.13Å; A187-I193 HydrophobicContact CB-CG2 4.33Å; D189-I193 WeakPolarHBondContact O-CG1 3.36Å; I193-E197 WeakPolarHBondContact CA-OE2 3.4Å; I193-E197 HydrophobicContact CG2-CB 3.9Å; I193-Y200 HydrophobicContact CB-CD2 4.47Å; I193-Y200 HydrophobicContact CG2-CD2 4.1Å; I193-Y200 WeakPolarHBondContact O-CD2 3.44Å; I193-Y200 WeakPolarHBondContact O-CE2 3.39Å; I193-F203 HydrophobicContact CD1-CB 3.61Å; I193-F203 HydrophobicContact CD1-CD1 3.56Å; I193-F203 HydrophobicContact CD1-CD2 3.3Å; I193-F203 HydrophobicContact CD1-CE1 4.14Å; I193-F203 HydrophobicContact CD1-CE2 3.87Å; I193-F203 HydrophobicContact CD1-CG 3.17Å; I193-F203 HydrophobicContact CD1-CZ 4.29Å
194K82.7Confident81.1Confident74 Ų7464.8 Ų64.832%0.32232%0.315SS..  trans-84.6154.3-178.3-68.6179.1174.9-170.70111.5Y192 Y196 E197 Y200Y192-K194 HydrophobicContact CE1-CD 4.48Å; Y192-K194 HydrophobicContact CE1-CG 4.16Å; K194-Y196 HydrophobicContact CB-CD1 4Å; K194-Y196 HydrophobicContact CB-CE1 3.62Å; K194-Y196 HydrophobicContact CB-CE2 4.37Å; K194-Y196 HydrophobicContact CD-CE1 3.61Å; K194-Y196 VanDerWaalsContact CD-CZ 3.5Å; K194-Y196 WeakPolarHBondContact CD-OH 3.33Å; K194-Y196 HydrophobicContact CG-CE1 4.24Å; K194-Y196 PolarHBondContact O-N 3.37Å; K194-E197 HydrophobicContact CB-CG 4.19Å; K194-E197 PolarHBondContact N-OE2 3.48Å; K194-E197 WeakPolarHBondContact O-CB 3.27Å; K194-E197 PolarHBondContact O-N 3.11Å; K194-Y200 VanDerWaalsContact C-CD2 3.48Å; K194-Y200 WeakPolarHBondContact O-CD2 3.47Å
195P84.1Confident81.4Confident94 Ų9468.1 Ų68.161%0.6132%0.321SS*.THydrogen-bonded Turntrans-56.6-24.9-176.4-2835.4000116Y200P195-Y200 HydrophobicContact CB-CD1 4.34Å; P195-Y200 HydrophobicContact CB-CE1 4.1Å; P195-Y200 HydrophobicContact CB-CE2 4.43Å; P195-Y200 HydrophobicContact CG-CE1 4.35Å; P195-Y200 HydrophobicContact CG-CE2 4.09Å
196Y84.4Confident81.9Confident175 Ų17566.1 Ų66.169%0.68631%0.31SS*.THydrogen-bonded Turntrans-91.1-7.2179.660.8-101.8000113.6K194K194-Y196 HydrophobicContact CB-CD1 4Å; K194-Y196 HydrophobicContact CB-CE1 3.62Å; K194-Y196 HydrophobicContact CB-CE2 4.37Å; K194-Y196 HydrophobicContact CD-CE1 3.61Å; K194-Y196 VanDerWaalsContact CD-CZ 3.5Å; K194-Y196 WeakPolarHBondContact CD-OH 3.33Å; K194-Y196 HydrophobicContact CG-CE1 4.24Å; K194-Y196 PolarHBondContact O-N 3.37Å
197E84.5Confident82.8Confident34 Ų3457.7 Ų57.716%0.15927%0.274CS..SBendtrans-82.8142.7178.8-66.8-180134.200110.4A187 I193 K194 Y200A187-E197 HydrophobicContact CB-CB 4.36Å; I193-E197 WeakPolarHBondContact CA-OE2 3.4Å; I193-E197 HydrophobicContact CG2-CB 3.9Å; K194-E197 HydrophobicContact CB-CG 4.19Å; K194-E197 PolarHBondContact N-OE2 3.48Å; K194-E197 WeakPolarHBondContact O-CB 3.27Å; K194-E197 PolarHBondContact O-N 3.11Å; E197-Y200 VanDerWaalsContact O-CB 3.3Å; E197-Y200 WeakPolarHBondContact O-CB 3.47Å; E197-Y200 PolarHBondContact O-N 2.82Å
198S85.6Confident84Confident45 Ų4558.6 Ų58.632%0.31528%0.277SS..THydrogen-bonded Turntrans-67.2138.1179.856.60000110.9V184 L185 K186V184-S198 WeakPolarHBondContact O-CB 3.29Å; V184-S198 PolarHBondContact O-OG 3.36Å; L185-S198 WeakPolarHBondContact CA-O 3.39Å; K186-S198 VanDerWaalsContact CB-OG 3.28Å; K186-S198 WeakPolarHBondContact CB-OG 3.36Å; K186-S198 WeakPolarHBondContact CG-OG 3.29Å; K186-S198 PolarHBondContact N-OG 2.89Å; K186-S198 VanDerWaalsContact N-OG 3.16Å
199G84.2Confident85.2Confident6 Ų648.8 Ų48.86%0.06224%0.235CC..THydrogen-bonded Turntrans92.9-10.2-172.500000114.2I201 E202 F203G199-I201 VanDerWaalsContact C-N 3.29Å; G199-I201 PolarHBondContact O-N 3.35Å; G199-E202 WeakPolarHBondContact CA-OE2 3.28Å; G199-E202 WeakPolarHBondContact O-CB 3.33Å; G199-E202 PolarHBondContact O-N 2.95Å; G199-E202 VanDerWaalsContact O-N 3.09Å; G199-E202 VanDerWaalsContact O-OE2 3.07Å; G199-F203 WeakPolarHBondContact O-CD2 3.14Å; G199-F203 PolarHBondContact O-N 3.1Å
200Y86.6Confident86.2Confident34 Ų3448.1 Ų48.113%0.13323%0.231CC..Hα-helixtrans-51.1-45.6-174.4175.6-101.3000113.4I193 K194 P195 E197 F203 V204I193-Y200 HydrophobicContact CB-CD2 4.47Å; I193-Y200 HydrophobicContact CG2-CD2 4.1Å; I193-Y200 WeakPolarHBondContact O-CD2 3.44Å; I193-Y200 WeakPolarHBondContact O-CE2 3.39Å; K194-Y200 VanDerWaalsContact C-CD2 3.48Å; K194-Y200 WeakPolarHBondContact O-CD2 3.47Å; P195-Y200 HydrophobicContact CB-CD1 4.34Å; P195-Y200 HydrophobicContact CB-CE1 4.1Å; P195-Y200 HydrophobicContact CB-CE2 4.43Å; P195-Y200 HydrophobicContact CG-CE1 4.35Å; P195-Y200 HydrophobicContact CG-CE2 4.09Å; E197-Y200 VanDerWaalsContact O-CB 3.3Å; E197-Y200 WeakPolarHBondContact O-CB 3.47Å; E197-Y200 PolarHBondContact O-N 2.82Å; Y200-F203 PolarHBondContact O-N 2.7Å; Y200-V204 HydrophobicContact CD1-CG2 4.22Å; Y200-V204 HydrophobicContact CD2-CG2 4.37Å; Y200-V204 HydrophobicContact CE1-CG2 3.76Å; Y200-V204 HydrophobicContact CE2-CG2 3.95Å; Y200-V204 WeakPolarHBondContact O-CG2 3.09Å; Y200-V204 PolarHBondContact O-N 2.99Å
201I89Confident87.4Confident110 Ų11048 Ų4856%0.56423%0.229SC*.Hα-helixtrans-65.3-43.7-178.2-66.2175.3000110.8G199 F203 V204 W205G199-I201 VanDerWaalsContact C-N 3.29Å; G199-I201 PolarHBondContact O-N 3.35Å; I201-F203 VanDerWaalsContact C-N 3.32Å; I201-F203 PolarHBondContact O-N 3.15Å; I201-V204 PolarHBondContact O-N 3.25Å; I201-W205 PolarHBondContact O-N 2.89Å
202E90.4Very high88.5Confident51 Ų5149 Ų4924%0.23824%0.238CC..Hα-helixtrans-61.8-42.7177.1-63.582.7171.400110.9F177 I180 G199 W205 S206F177-E202 WeakPolarHBondContact CB-O 3.37Å; I180-E202 HydrophobicContact CB-CG 4.36Å; I180-E202 HydrophobicContact CG2-CG 3.88Å; G199-E202 WeakPolarHBondContact CA-OE2 3.28Å; G199-E202 WeakPolarHBondContact O-CB 3.33Å; G199-E202 PolarHBondContact O-N 2.95Å; G199-E202 VanDerWaalsContact O-N 3.09Å; G199-E202 VanDerWaalsContact O-OE2 3.07Å; E202-W205 PolarHBondContact O-N 3Å; E202-S206 WeakPolarHBondContact O-CB 3.43Å; E202-S206 PolarHBondContact O-N 2.88Å
203F88.8Confident89.3Confident7 Ų747.5 Ų47.53%0.03123%0.234CC..Hα-helixtrans-68.5-34.4177.3-81.4-77.6000113Y42 L182 L185 F190 I193 G199 Y200 I201 S206 A207Y42-F203 AromaticContact CE2-CD1 3.81Å; Y42-F203 HydrophobicContact CE2-CD1 3.81Å; Y42-F203 AromaticContact CZ-CD1 3.86Å; Y42-F203 WeakPolarHBondContact OH-CD1 3.25Å; L182-F203 HydrophobicContact CD2-CZ 4.4Å; L182-F203 HydrophobicContact CG-CZ 4.29Å; L185-F203 HydrophobicContact CB-CE2 4.13Å; L185-F203 HydrophobicContact CD1-CD2 4.1Å; L185-F203 HydrophobicContact CD1-CE2 3.68Å; L185-F203 HydrophobicContact CD1-CZ 4.45Å; L185-F203 HydrophobicContact CD2-CE2 4.02Å; L185-F203 HydrophobicContact CD2-CZ 4.01Å; L185-F203 HydrophobicContact CG-CE2 4.15Å; F190-F203 AromaticContact CD2-CE1 3.98Å; F190-F203 HydrophobicContact CD2-CE1 3.98Å; F190-F203 HydrophobicContact CD2-CZ 4.07Å; F190-F203 HydrophobicContact CE1-CE1 4.3Å; F190-F203 HydrophobicContact CE2-CD1 4.4Å; F190-F203 AromaticContact CE2-CE1 3.24Å; F190-F203 HydrophobicContact CE2-CE1 3.24Å; F190-F203 AromaticContact CE2-CZ 3.45Å; F190-F203 HydrophobicContact CE2-CZ 3.45Å; F190-F203 VanDerWaalsContact CE2-CZ 3.45Å; F190-F203 HydrophobicContact CZ-CD1 4.43Å; F190-F203 AromaticContact CZ-CE1 3.45Å; F190-F203 HydrophobicContact CZ-CE1 3.45Å; F190-F203 VanDerWaalsContact CZ-CE1 3.45Å; F190-F203 HydrophobicContact CZ-CZ 4.12Å; I193-F203 HydrophobicContact CD1-CB 3.61Å; I193-F203 HydrophobicContact CD1-CD1 3.56Å; I193-F203 HydrophobicContact CD1-CD2 3.3Å; I193-F203 HydrophobicContact CD1-CE1 4.14Å; I193-F203 HydrophobicContact CD1-CE2 3.87Å; I193-F203 HydrophobicContact CD1-CG 3.17Å; I193-F203 HydrophobicContact CD1-CZ 4.29Å; G199-F203 WeakPolarHBondContact O-CD2 3.14Å; G199-F203 PolarHBondContact O-N 3.1Å; Y200-F203 PolarHBondContact O-N 2.7Å; I201-F203 VanDerWaalsContact C-N 3.32Å; I201-F203 PolarHBondContact O-N 3.15Å; F203-S206 PolarHBondContact O-N 3.49Å; F203-A207 WeakPolarHBondContact O-CB 3.02Å; F203-A207 PolarHBondContact O-N 3.46Å
204V90.9Very high90.1Very high25 Ų2548.9 Ų48.915%0.15224%0.243CC..Hα-helixtrans-62.6-47.3170.9167.40000110.8V40 Y200 I201 S206 A207 V208V40-V204 HydrophobicContact CB-CG1 4.44Å; Y200-V204 HydrophobicContact CD1-CG2 4.22Å; Y200-V204 HydrophobicContact CD2-CG2 4.37Å; Y200-V204 HydrophobicContact CE1-CG2 3.76Å; Y200-V204 HydrophobicContact CE2-CG2 3.95Å; Y200-V204 WeakPolarHBondContact O-CG2 3.09Å; Y200-V204 PolarHBondContact O-N 2.99Å; I201-V204 PolarHBondContact O-N 3.25Å; V204-S206 VanDerWaalsContact C-N 3.32Å; V204-S206 PolarHBondContact O-N 3.45Å; V204-A207 PolarHBondContact O-N 2.88Å; V204-V208 WeakPolarHBondContact O-CG2 3.46Å; V204-V208 PolarHBondContact O-N 3.24Å
205W93Very high90.7Very high131 Ų13148.2 Ų48.250%0.49624%0.242SC..Hα-helixtrans-66.5-35177.9-77.1115.4000113.1F177 I201 E202 V208 S209F177-W205 HydrophobicContact CB-CB 4.31Å; F177-W205 HydrophobicContact CD1-CB 3.82Å; F177-W205 HydrophobicContact CD1-CG 4.49Å; F177-W205 HydrophobicContact CD2-CB 3.61Å; F177-W205 HydrophobicContact CE1-CB 3.97Å; F177-W205 HydrophobicContact CE1-CG 4.22Å; F177-W205 HydrophobicContact CE2-CB 3.77Å; F177-W205 HydrophobicContact CE2-CG 4.33Å; F177-W205 HydrophobicContact CG-CB 3.65Å; F177-W205 HydrophobicContact CZ-CB 3.95Å; F177-W205 HydrophobicContact CZ-CG 4.14Å; I201-W205 PolarHBondContact O-N 2.89Å; E202-W205 PolarHBondContact O-N 3Å; W205-V208 HydrophobicContact CE3-CB 4.37Å; W205-V208 HydrophobicContact CE3-CG1 4.38Å; W205-V208 HydrophobicContact CE3-CG2 4.48Å; W205-V208 HydrophobicContact CZ3-CG1 4.45Å; W205-V208 PolarHBondContact O-N 2.98Å; W205-S209 WeakPolarHBondContact O-CB 3.31Å; W205-S209 PolarHBondContact O-N 2.81Å; W205-S209 PolarHBondContact O-OG 3.09Å
206S91.9Very high91.3Very high0 Ų043.7 Ų43.70%021%0.213CC..Hα-helixtrans-62.2-44.4170.7-1770000111.2Y42 F174 E202 F203 V204 S209 E210Y42-S206 WeakPolarHBondContact CE1-OG 3.33Å; Y42-S206 WeakPolarHBondContact OH-CB 3.38Å; Y42-S206 PolarHBondContact OH-OG 3.24Å; F174-S206 WeakPolarHBondContact CD2-O 3.34Å; E202-S206 WeakPolarHBondContact O-CB 3.43Å; E202-S206 PolarHBondContact O-N 2.88Å; F203-S206 PolarHBondContact O-N 3.49Å; V204-S206 VanDerWaalsContact C-N 3.32Å; V204-S206 PolarHBondContact O-N 3.45Å; S206-S209 VanDerWaalsContact O-CB 3.29Å; S206-S209 WeakPolarHBondContact O-CB 3.44Å; S206-S209 PolarHBondContact O-N 3.06Å; S206-S209 VanDerWaalsContact O-N 3.15Å; S206-E210 PolarHBondContact O-N 2.93Å
207A92.2Very high91.8Very high1 Ų136 Ų361%0.00818%0.184CC..Hα-helixtrans-63.8-44.6175.600000112.5V40 Y42 F203 V204 S209 E210 W211V40-A207 HydrophobicContact CG1-CB 3.94Å; V40-A207 WeakPolarHBondContact O-CB 3.27Å; Y42-A207 HydrophobicContact CD1-CB 3.77Å; Y42-A207 HydrophobicContact CE1-CB 3.97Å; Y42-A207 HydrophobicContact CG-CB 4.1Å; F203-A207 WeakPolarHBondContact O-CB 3.02Å; F203-A207 PolarHBondContact O-N 3.46Å; V204-A207 PolarHBondContact O-N 2.88Å; A207-S209 PolarHBondContact O-N 3.1Å; A207-E210 WeakPolarHBondContact O-CB 3.15Å; A207-E210 PolarHBondContact O-N 3.45Å; A207-E210 VanDerWaalsContact O-N 3.1Å; A207-W211 VanDerWaalsContact O-CD1 3.23Å; A207-W211 PolarHBondContact O-N 3.33Å
208V94.7Very high92.4Very high45 Ų4534.6 Ų34.627%0.27318%0.178SC..Hα-helixtrans-54-41.8172.3171.40000110.8V40 V204 W205 W211 C212V40-V208 HydrophobicContact CB-CG2 4.2Å; V40-V208 HydrophobicContact CG1-CG2 3.8Å; V40-V208 HydrophobicContact CG2-CG2 4.01Å; V204-V208 WeakPolarHBondContact O-CG2 3.46Å; V204-V208 PolarHBondContact O-N 3.24Å; W205-V208 HydrophobicContact CE3-CB 4.37Å; W205-V208 HydrophobicContact CE3-CG1 4.38Å; W205-V208 HydrophobicContact CE3-CG2 4.48Å; W205-V208 HydrophobicContact CZ3-CG1 4.45Å; W205-V208 PolarHBondContact O-N 2.98Å; V208-W211 WeakPolarHBondContact O-CB 3.34Å; V208-W211 PolarHBondContact O-N 2.98Å; V208-C212 PolarHBondContact O-N 3.17Å; V208-C212 PolarHBondContact O-SG 3.38Å; V208-C212 VanDerWaalsContact O-SG 3.38Å
209S95.3Very high93Very high8 Ų834.8 Ų34.86%0.05617%0.174CC..Hα-helixtrans-66.2-37.7179.6-58.30000112.6G170 S173 W205 S206 A207 C212 V213G170-S209 VanDerWaalsContact O-CB 3.32Å; G170-S209 WeakPolarHBondContact O-CB 3.4Å; S173-S209 WeakPolarHBondContact CB-OG 3.33Å; W205-S209 WeakPolarHBondContact O-CB 3.31Å; W205-S209 PolarHBondContact O-N 2.81Å; W205-S209 PolarHBondContact O-OG 3.09Å; S206-S209 VanDerWaalsContact O-CB 3.29Å; S206-S209 WeakPolarHBondContact O-CB 3.44Å; S206-S209 PolarHBondContact O-N 3.06Å; S206-S209 VanDerWaalsContact O-N 3.15Å; A207-S209 PolarHBondContact O-N 3.1Å; S209-C212 PolarHBondContact O-N 3.43Å; S209-V213 PolarHBondContact O-N 3.41Å
210E93.1Very high93.6Very high28 Ų2834.7 Ų34.713%0.13117%0.172CC..Hα-helixtrans-62.6-45.4171.1-170.5-170.1-164.200111.2Y42 V43 S44 F174 S206 A207 C212 V213 V214Y42-E210 VanDerWaalsContact C-OE2 3.3Å; Y42-E210 WeakPolarHBondContact CA-OE2 3.41Å; Y42-E210 VanDerWaalsContact CB-OE2 3.27Å; Y42-E210 WeakPolarHBondContact CB-OE2 3.44Å; Y42-E210 HydrophobicContact CD1-CB 4.45Å; Y42-E210 VanDerWaalsContact CD1-OE2 3.24Å; Y42-E210 WeakPolarHBondContact CD1-OE2 3.2Å; V43-E210 HydrophobicContact CB-CG 4.43Å; V43-E210 PolarHBondContact N-OE2 2.82Å; S44-E210 WeakPolarHBondContact CB-OE1 3.26Å; S44-E210 PolarHBondContact N-OE1 3.41Å; F174-E210 HydrophobicContact CD2-CB 3.95Å; F174-E210 HydrophobicContact CE2-CB 4.09Å; S206-E210 PolarHBondContact O-N 2.93Å; A207-E210 WeakPolarHBondContact O-CB 3.15Å; A207-E210 PolarHBondContact O-N 3.45Å; A207-E210 VanDerWaalsContact O-N 3.1Å; E210-C212 VanDerWaalsContact C-N 3.29Å; E210-C212 PolarHBondContact O-N 3.34Å; E210-V213 WeakPolarHBondContact O-CB 3.4Å; E210-V213 PolarHBondContact O-N 3.49Å; E210-V214 HydrophobicContact CG-CG2 4.48Å; E210-V214 WeakPolarHBondContact O-CG2 3.47Å; E210-V214 PolarHBondContact O-N 2.74Å
211W95Very high94.2Very high55 Ų5533.4 Ų33.421%0.20817%0.168CC..Hα-helixtrans-57.6-40.8175.9-82.699.4000112.2L23 P41 V43 A207 V208 V213 V214 M215L23-W211 HydrophobicContact CD1-CZ3 4.37Å; P41-W211 PolarHBondContact O-NE1 3.21Å; V43-W211 HydrophobicContact CG2-CD2 3.46Å; V43-W211 VanDerWaalsContact CG2-CD2 3.46Å; V43-W211 HydrophobicContact CG2-CE3 3.85Å; V43-W211 HydrophobicContact CG2-CG 3.9Å; V43-W211 HydrophobicContact CG2-CH2 4.09Å; V43-W211 HydrophobicContact CG2-CZ2 3.72Å; V43-W211 HydrophobicContact CG2-CZ3 4.15Å; A207-W211 VanDerWaalsContact O-CD1 3.23Å; A207-W211 PolarHBondContact O-N 3.33Å; V208-W211 WeakPolarHBondContact O-CB 3.34Å; V208-W211 PolarHBondContact O-N 2.98Å; W211-V213 VanDerWaalsContact C-N 3.27Å; W211-V213 PolarHBondContact O-N 3.42Å; W211-V214 PolarHBondContact O-N 2.65Å; W211-M215 WeakPolarHBondContact O-CB 3.26Å; W211-M215 VanDerWaalsContact O-CG 3.26Å; W211-M215 WeakPolarHBondContact O-CG 3.24Å; W211-M215 PolarHBondContact O-N 3.23Å
212C95.5Very high94.6Very high46 Ų4631.7 Ų31.731%0.31116%0.157SC..Hα-helixtrans-58-39.3174.7-69.60000112.6Q166 V208 S209 E210 G216Q166-C212 HydrophobicContact CG-CB 4.25Å; Q166-C212 PolarHBondContact NE2-O 3.05Å; V208-C212 PolarHBondContact O-N 3.17Å; V208-C212 PolarHBondContact O-SG 3.38Å; V208-C212 VanDerWaalsContact O-SG 3.38Å; S209-C212 PolarHBondContact O-N 3.43Å; E210-C212 VanDerWaalsContact C-N 3.29Å; E210-C212 PolarHBondContact O-N 3.34Å; C212-G216 PolarHBondContact O-N 3.4Å
213V95.1Very high95Very high18 Ų1830.2 Ų30.211%0.10915%0.15CC..Hα-helixtrans-70.2-45.4177.5179.90000110.9M167 S171 S209 E210 W211 M215 G216 C217M167-V213 HydrophobicContact CE-CG1 3.96Å; S171-V213 WeakPolarHBondContact OG-CG2 3.27Å; S209-V213 PolarHBondContact O-N 3.41Å; E210-V213 WeakPolarHBondContact O-CB 3.4Å; E210-V213 PolarHBondContact O-N 3.49Å; W211-V213 VanDerWaalsContact C-N 3.27Å; W211-V213 PolarHBondContact O-N 3.42Å; V213-M215 PolarHBondContact O-N 3.06Å; V213-G216 PolarHBondContact O-N 3.08Å; V213-G216 VanDerWaalsContact O-N 3.13Å; V213-C217 PolarHBondContact O-N 3.47Å; V213-C217 VanDerWaalsContact O-N 3.1Å
214V94.9Very high95.4Very high39 Ų3930.1 Ų30.124%0.23615%0.15CC..Hα-helixtrans-62.9-42.9178.9173.20000111.4L23 V43 E210 W211 G216 C217 A218L23-V214 HydrophobicContact CD1-CG1 4.13Å; V43-V214 HydrophobicContact CB-CG2 4.2Å; V43-V214 HydrophobicContact CG1-CG1 4.45Å; V43-V214 HydrophobicContact CG1-CG2 4.14Å; V43-V214 HydrophobicContact CG2-CB 4.42Å; V43-V214 HydrophobicContact CG2-CG2 4.03Å; E210-V214 HydrophobicContact CG-CG2 4.48Å; E210-V214 WeakPolarHBondContact O-CG2 3.47Å; E210-V214 PolarHBondContact O-N 2.74Å; W211-V214 PolarHBondContact O-N 2.65Å; V214-G216 VanDerWaalsContact C-N 3.3Å; V214-G216 PolarHBondContact O-N 2.78Å; V214-C217 WeakPolarHBondContact O-CB 3.41Å; V214-C217 PolarHBondContact O-N 2.87Å; V214-A218 PolarHBondContact O-N 3.47Å
215M95.4Very high95.8Very high60 Ų6029.1 Ų29.130%0.29614%0.144SC..Hα-helixtrans-63.7-37.2173.8-70.6-55-59.600111.7W211 V213 C217 A218 E219W211-M215 WeakPolarHBondContact O-CB 3.26Å; W211-M215 VanDerWaalsContact O-CG 3.26Å; W211-M215 WeakPolarHBondContact O-CG 3.24Å; W211-M215 PolarHBondContact O-N 3.23Å; V213-M215 PolarHBondContact O-N 3.06Å; M215-C217 VanDerWaalsContact C-N 3.31Å; M215-C217 PolarHBondContact O-N 3.4Å; M215-A218 PolarHBondContact O-N 3.09Å; M215-A218 VanDerWaalsContact O-N 3.11Å; M215-E219 WeakPolarHBondContact O-CB 3.37Å; M215-E219 VanDerWaalsContact O-CG 3.25Å; M215-E219 WeakPolarHBondContact O-CG 3.38Å; M215-E219 PolarHBondContact O-N 3.06Å
216G96.6Very high96Very high0 Ų026.3 Ų26.30%014%0.138CC..Hα-helixtrans-58.8-40.9173.700000112.7V163 C212 V213 V214 E219 L220V163-G216 VanDerWaalsContact CG1-O 3.27Å; V163-G216 WeakPolarHBondContact CG1-O 3.47Å; C212-G216 PolarHBondContact O-N 3.4Å; V213-G216 PolarHBondContact O-N 3.08Å; V213-G216 VanDerWaalsContact O-N 3.13Å; V214-G216 VanDerWaalsContact C-N 3.3Å; V214-G216 PolarHBondContact O-N 2.78Å; G216-E219 PolarHBondContact O-N 2.98Å; G216-L220 WeakPolarHBondContact O-CB 3.49Å; G216-L220 PolarHBondContact O-N 3.43Å
217C96.1Very high96.2Very high13 Ų1326.3 Ų26.39%0.08814%0.138CC..Hα-helixtrans-61.8-44.7173.1-69.40000112Y63 V213 V214 M215 L220 T221Y63-C217 PolarHBondContact OH-O 2.93Å; V213-C217 PolarHBondContact O-N 3.47Å; V213-C217 VanDerWaalsContact O-N 3.1Å; V214-C217 WeakPolarHBondContact O-CB 3.41Å; V214-C217 PolarHBondContact O-N 2.87Å; M215-C217 VanDerWaalsContact C-N 3.31Å; M215-C217 PolarHBondContact O-N 3.4Å; C217-L220 PolarHBondContact O-N 2.91Å; C217-T221 PolarHBondContact O-N 2.88Å; C217-T221 VanDerWaalsContact O-N 3.12Å; C217-T221 PolarHBondContact O-OG1 2.81Å
218A96.7Very high96.4Very high4 Ų426.3 Ų26.33%0.03314%0.138CC..Hα-helixtrans-65.7-43.1178.900000112F16 Y63 V214 M215 T221 F222F16-A218 HydrophobicContact CD2-CB 4.16Å; F16-A218 WeakPolarHBondContact CD2-O 3.19Å; F16-A218 HydrophobicContact CE2-CB 4.28Å; Y63-A218 WeakPolarHBondContact OH-CA 3.48Å; Y63-A218 PolarHBondContact OH-N 3.29Å; V214-A218 PolarHBondContact O-N 3.47Å; M215-A218 PolarHBondContact O-N 3.09Å; M215-A218 VanDerWaalsContact O-N 3.11Å; A218-T221 WeakPolarHBondContact O-CB 3.42Å; A218-T221 PolarHBondContact O-N 3.18Å; A218-F222 PolarHBondContact O-N 3.19Å
219E97.8Very high96.3Very high50 Ų5028.3 Ų28.323%0.23414%0.142CC..Hα-helixtrans-62.1-42.4175.8-73.3164.6-168.500111.8V163 Q166 M215 G216 T221 F222 I223V163-E219 HydrophobicContact CG2-CB 3.79Å; Q166-E219 PolarHBondContact NE2-OE2 3.38Å; Q166-E219 PolarHBondContact OE1-OE2 2.88Å; M215-E219 WeakPolarHBondContact O-CB 3.37Å; M215-E219 VanDerWaalsContact O-CG 3.25Å; M215-E219 WeakPolarHBondContact O-CG 3.38Å; M215-E219 PolarHBondContact O-N 3.06Å; G216-E219 PolarHBondContact O-N 2.98Å; E219-T221 VanDerWaalsContact C-N 3.32Å; E219-T221 PolarHBondContact O-N 2.89Å; E219-F222 WeakPolarHBondContact O-CB 3.44Å; E219-F222 PolarHBondContact O-N 3.02Å; E219-I223 WeakPolarHBondContact O-CG1 3.47Å; E219-I223 PolarHBondContact O-N 2.85Å
220L98Very high96.1Very high3 Ų328.9 Ų28.92%0.01614%0.144CC..Hα-helixtrans-59.4-44.8174-178.863.3000111.5M102 I139 V163 G216 C217 F222 I223 I224M102-L220 HydrophobicContact CE-CD2 3.67Å; M102-L220 HydrophobicContact SD-CD2 4.41Å; I139-L220 HydrophobicContact CD1-CD1 4.44Å; I139-L220 HydrophobicContact CD1-CD2 3.79Å; I139-L220 HydrophobicContact CG1-CD1 4.08Å; I139-L220 HydrophobicContact CG1-CD2 3.69Å; V163-L220 HydrophobicContact CG1-CB 4.29Å; G216-L220 WeakPolarHBondContact O-CB 3.49Å; G216-L220 PolarHBondContact O-N 3.43Å; C217-L220 PolarHBondContact O-N 2.91Å; L220-F222 VanDerWaalsContact C-N 3.28Å; L220-F222 PolarHBondContact O-N 3.31Å; L220-I223 PolarHBondContact O-N 3.48Å; L220-I224 HydrophobicContact CG-CD1 4.1Å; L220-I224 WeakPolarHBondContact O-CG1 3.14Å; L220-I224 PolarHBondContact O-N 3.33Å
221T98.1Very high96Very high7 Ų727.7 Ų27.74%0.04314%0.138CC..Hα-helixtrans-60.3-40.8176.5-63.50000111.1P12 A15 Y63 C217 A218 E219 I224 A225P12-T221 HydrophobicContact CB-CG2 3.88Å; P12-T221 WeakPolarHBondContact CB-O 3.36Å; P12-T221 WeakPolarHBondContact O-CG2 3.26Å; A15-T221 HydrophobicContact CB-CG2 3.96Å; Y63-T221 HydrophobicContact CE2-CG2 4.28Å; Y63-T221 PolarHBondContact OH-OG1 3.3Å; C217-T221 PolarHBondContact O-N 2.88Å; C217-T221 VanDerWaalsContact O-N 3.12Å; C217-T221 PolarHBondContact O-OG1 2.81Å; A218-T221 WeakPolarHBondContact O-CB 3.42Å; A218-T221 PolarHBondContact O-N 3.18Å; E219-T221 VanDerWaalsContact C-N 3.32Å; E219-T221 PolarHBondContact O-N 2.89Å; T221-I224 PolarHBondContact O-N 3.25Å; T221-A225 PolarHBondContact O-N 3.31Å; T221-A225 VanDerWaalsContact O-N 3.09Å
222F98.4Very high95.5Very high75 Ų7526.5 Ų26.533%0.32914%0.135SC..Hα-helixtrans-64.5-42.7173.9-177.1-112.8000112.5L13 F16 A218 E219 L220 I224 A225 L226L13-F222 HydrophobicContact CD1-CD2 4.19Å; L13-F222 HydrophobicContact CD1-CE2 4.06Å; F16-F222 HydrophobicContact CD1-CB 4.5Å; F16-F222 AromaticContact CD1-CD2 3.92Å; F16-F222 HydrophobicContact CD1-CD2 3.92Å; F16-F222 HydrophobicContact CD1-CG 4.49Å; F16-F222 HydrophobicContact CD2-CB 3.89Å; F16-F222 HydrophobicContact CE1-CD2 4.07Å; F16-F222 HydrophobicContact CE1-CG 4.46Å; F16-F222 HydrophobicContact CE2-CB 4.11Å; F16-F222 HydrophobicContact CG-CB 4.08Å; F16-F222 HydrophobicContact CG-CD2 4.26Å; F16-F222 HydrophobicContact CZ-CB 4.49Å; A218-F222 PolarHBondContact O-N 3.19Å; E219-F222 WeakPolarHBondContact O-CB 3.44Å; E219-F222 PolarHBondContact O-N 3.02Å; L220-F222 VanDerWaalsContact C-N 3.28Å; L220-F222 PolarHBondContact O-N 3.31Å; F222-I224 VanDerWaalsContact C-N 3.33Å; F222-I224 PolarHBondContact O-N 3.45Å; F222-A225 VanDerWaalsContact O-CB 3.28Å; F222-A225 WeakPolarHBondContact O-CB 3.49Å; F222-A225 PolarHBondContact O-N 3.26Å; F222-A225 VanDerWaalsContact O-N 3.11Å; F222-L226 HydrophobicContact CD1-CD1 4.15Å; F222-L226 HydrophobicContact CE1-CD1 3.67Å; F222-L226 HydrophobicContact CE1-CG 4.21Å; F222-L226 HydrophobicContact CE2-CD2 4.46Å; F222-L226 HydrophobicContact CZ-CD1 4.06Å; F222-L226 HydrophobicContact CZ-CD2 4.12Å; F222-L226 HydrophobicContact CZ-CG 4.22Å; F222-L226 PolarHBondContact O-N 2.84Å; F222-L226 VanDerWaalsContact O-N 3.08Å
223I98.2Very high95Very high20 Ų2028.6 Ų28.610%0.10314%0.139CC..Hα-helixtrans-59.2-44.6174.8-69.8164.3000110.6R160 V163 E219 L220 A225 L226 E227R160-I223 HydrophobicContact CG-CG2 4.22Å; V163-I223 HydrophobicContact CG2-CD1 3.78Å; E219-I223 WeakPolarHBondContact O-CG1 3.47Å; E219-I223 PolarHBondContact O-N 2.85Å; L220-I223 PolarHBondContact O-N 3.48Å; I223-A225 VanDerWaalsContact C-N 3.26Å; I223-A225 PolarHBondContact O-N 3.04Å; I223-L226 PolarHBondContact O-N 3.31Å; I223-L226 VanDerWaalsContact O-N 3.09Å; I223-E227 HydrophobicContact CG2-CG 4.22Å; I223-E227 WeakPolarHBondContact O-CG 3.23Å; I223-E227 PolarHBondContact O-N 3.21Å
224I97.9Very high94Very high5 Ų529.7 Ų29.73%0.02615%0.147CC..Hα-helixtrans-58.4-39.5175.8-69.7163.7000110.9P12 W74 L220 T221 F222 E227 L228P12-I224 HydrophobicContact CB-CG2 4.35Å; P12-I224 HydrophobicContact CG-CG2 4.3Å; W74-I224 HydrophobicContact CB-CG2 4.11Å; W74-I224 HydrophobicContact CG-CG2 4.36Å; L220-I224 HydrophobicContact CG-CD1 4.1Å; L220-I224 WeakPolarHBondContact O-CG1 3.14Å; L220-I224 PolarHBondContact O-N 3.33Å; T221-I224 PolarHBondContact O-N 3.25Å; F222-I224 VanDerWaalsContact C-N 3.33Å; F222-I224 PolarHBondContact O-N 3.45Å; I224-E227 PolarHBondContact O-N 3.4Å; I224-L228 HydrophobicContact CG2-CD1 4.14Å; I224-L228 HydrophobicContact CG2-CG 4.39Å; I224-L228 WeakPolarHBondContact O-CB 3.21Å; I224-L228 WeakPolarHBondContact O-CG 3.33Å; I224-L228 PolarHBondContact O-N 3.02Å
225A97.8Very high92.6Very high4 Ų430.5 Ų30.53%0.03315%0.152CC..Hα-helixtrans-60.6-46.7174.600000111.8Y9 P12 L13 T221 F222 I223 E227 L228 Y229Y9-A225 WeakPolarHBondContact CB-O 3.48Å; P12-A225 HydrophobicContact CB-CB 3.94Å; P12-A225 HydrophobicContact CG-CB 3.66Å; L13-A225 HydrophobicContact CB-CB 4.17Å; T221-A225 PolarHBondContact O-N 3.31Å; T221-A225 VanDerWaalsContact O-N 3.09Å; F222-A225 VanDerWaalsContact O-CB 3.28Å; F222-A225 WeakPolarHBondContact O-CB 3.49Å; F222-A225 PolarHBondContact O-N 3.26Å; F222-A225 VanDerWaalsContact O-N 3.11Å; I223-A225 VanDerWaalsContact C-N 3.26Å; I223-A225 PolarHBondContact O-N 3.04Å; A225-E227 PolarHBondContact O-N 3.08Å; A225-L228 PolarHBondContact O-N 3.44Å; A225-Y229 WeakPolarHBondContact O-CB 3.3Å; A225-Y229 PolarHBondContact O-N 3.41Å
226L97Very high90.8Very high72 Ų7232.1 Ų32.138%0.37717%0.165SC..Hα-helixtrans-65.2-38.6178.9-61.9-179.8000112.4F156 F222 I223 Y229 D230F156-L226 HydrophobicContact CE1-CB 3.85Å; F222-L226 HydrophobicContact CD1-CD1 4.15Å; F222-L226 HydrophobicContact CE1-CD1 3.67Å; F222-L226 HydrophobicContact CE1-CG 4.21Å; F222-L226 HydrophobicContact CE2-CD2 4.46Å; F222-L226 HydrophobicContact CZ-CD1 4.06Å; F222-L226 HydrophobicContact CZ-CD2 4.12Å; F222-L226 HydrophobicContact CZ-CG 4.22Å; F222-L226 PolarHBondContact O-N 2.84Å; F222-L226 VanDerWaalsContact O-N 3.08Å; I223-L226 PolarHBondContact O-N 3.31Å; I223-L226 VanDerWaalsContact O-N 3.09Å; L226-Y229 WeakPolarHBondContact O-CB 3.23Å; L226-Y229 PolarHBondContact O-N 2.88Å; L226-D230 PolarHBondContact O-N 3.47Å
227E96.6Very high88.8Confident0 Ų037.7 Ų37.70%020%0.195CC..Hα-helixtrans-66.9-45.3176.8-71.4172.816600111.7W74 I146 F156 R160 I223 I224 A225 Y229 D230 F231W74-E227 PolarHBondContact NE1-OE2 3.26Å; I146-E227 HydrophobicContact CD1-CB 4.42Å; I146-E227 HydrophobicContact CD1-CG 4.13Å; I146-E227 HydrophobicContact CG1-CG 4.33Å; F156-E227 HydrophobicContact CB-CG 4.21Å; F156-E227 HydrophobicContact CD1-CG 3.5Å; F156-E227 HydrophobicContact CD2-CG 3.93Å; F156-E227 HydrophobicContact CE1-CG 3.71Å; F156-E227 HydrophobicContact CE2-CG 4.09Å; F156-E227 HydrophobicContact CG-CG 3.62Å; F156-E227 HydrophobicContact CZ-CG 4Å; R160-E227 IonicContact CZ-OE1 3.49Å; R160-E227 IonicContact CZ-OE2 2.7Å; R160-E227 IonicContact NE-OE1 2.79Å; R160-E227 PolarHBondContact NE-OE1 3.21Å; R160-E227 IonicContact NE-OE2 3.56Å; R160-E227 IonicContact NH2-OE1 2.79Å; R160-E227 PolarHBondContact NH2-OE1 2.98Å; R160-E227 IonicContact NH2-OE2 3.57Å; R160-E227 PolarHBondContact NH2-OE2 3.39Å; I223-E227 HydrophobicContact CG2-CG 4.22Å; I223-E227 WeakPolarHBondContact O-CG 3.23Å; I223-E227 PolarHBondContact O-N 3.21Å; I224-E227 PolarHBondContact O-N 3.4Å; A225-E227 PolarHBondContact O-N 3.08Å; E227-Y229 VanDerWaalsContact C-N 3.27Å; E227-Y229 PolarHBondContact O-N 3.37Å; E227-D230 WeakPolarHBondContact O-CB 3.48Å; E227-D230 PolarHBondContact O-N 3.1Å; E227-D230 VanDerWaalsContact O-N 3.15Å; E227-F231 WeakPolarHBondContact O-CG 3.33Å; E227-F231 PolarHBondContact O-N 3.09Å
228L95.7Very high86.7Confident1 Ų140.1 Ų40.11%0.00521%0.207CC..Hα-helixtrans-60.1-39174.7-79.3178.5000111.9P12 I73 W74 K77 I224 A225 D230 F231 E232P12-L228 HydrophobicContact CG-CD1 3.98Å; I73-L228 HydrophobicContact CG2-CD1 4.44Å; I73-L228 HydrophobicContact CG2-CD2 4.12Å; W74-L228 HydrophobicContact CB-CD2 4.14Å; W74-L228 HydrophobicContact CB-CG 4.4Å; K77-L228 HydrophobicContact CB-CD2 4.32Å; K77-L228 HydrophobicContact CG-CD2 4.14Å; I224-L228 HydrophobicContact CG2-CD1 4.14Å; I224-L228 HydrophobicContact CG2-CG 4.39Å; I224-L228 WeakPolarHBondContact O-CB 3.21Å; I224-L228 WeakPolarHBondContact O-CG 3.33Å; I224-L228 PolarHBondContact O-N 3.02Å; A225-L228 PolarHBondContact O-N 3.44Å; L228-D230 VanDerWaalsContact C-N 3.34Å; L228-F231 HydrophobicContact CD2-CD2 4.25Å; L228-F231 PolarHBondContact O-N 3.3Å; L228-E232 WeakPolarHBondContact O-CG 3.42Å; L228-E232 PolarHBondContact O-N 3.15Å
229Y93.9Very high84.6Confident87 Ų8747.1 Ų47.134%0.34124%0.239SC..Hα-helixtrans-63.3-40.7175.5-179.7-111.7000112.1Y9 A225 L226 E227 E232 K233Y9-Y229 AromaticContact CD1-CD2 3.68Å; Y9-Y229 HydrophobicContact CD1-CD2 3.68Å; Y9-Y229 HydrophobicContact CD1-CG 4.47Å; Y9-Y229 HydrophobicContact CD2-CD2 4.17Å; Y9-Y229 AromaticContact CE1-CD2 3.55Å; Y9-Y229 HydrophobicContact CE1-CD2 3.55Å; Y9-Y229 HydrophobicContact CE1-CE2 4.03Å; Y9-Y229 HydrophobicContact CE2-CD2 4.07Å; Y9-Y229 AromaticContact CG-CD2 3.99Å; Y9-Y229 HydrophobicContact CG-CD2 3.99Å; Y9-Y229 HydrophobicContact CG-CG 4.44Å; Y9-Y229 AromaticContact CZ-CD2 3.77Å; A225-Y229 WeakPolarHBondContact O-CB 3.3Å; A225-Y229 PolarHBondContact O-N 3.41Å; L226-Y229 WeakPolarHBondContact O-CB 3.23Å; L226-Y229 PolarHBondContact O-N 2.88Å; E227-Y229 VanDerWaalsContact C-N 3.27Å; E227-Y229 PolarHBondContact O-N 3.37Å; Y229-E232 PolarHBondContact O-N 3.28Å; Y229-K233 HydrophobicContact CD1-CD 4.29Å; Y229-K233 HydrophobicContact CE1-CD 3.77Å; Y229-K233 VanDerWaalsContact CE1-CE 3.41Å; Y229-K233 VanDerWaalsContact CZ-NZ 3.27Å; Y229-K233 PolarHBondContact O-N 3.07Å; Y229-K233 WeakPolarHBondContact OH-CE 3.43Å; Y229-K233 PolarHBondContact OH-NZ 2.66Å
230D91.4Very high82.1Confident20 Ų2047.7 Ų47.711%0.10726%0.258CS..Hα-helixtrans-65.4-42.5175.3-163.467.2000111.5S150 K152 F156 L226 E227 L228 E232 K233 S234S150-D230 PolarHBondContact OG-OD2 3.43Å; K152-D230 IonicContact NZ-OD1 3.37Å; K152-D230 PolarHBondContact NZ-OD1 3.18Å; F156-D230 HydrophobicContact CE2-CB 4.01Å; F156-D230 HydrophobicContact CZ-CB 3.97Å; L226-D230 PolarHBondContact O-N 3.47Å; E227-D230 WeakPolarHBondContact O-CB 3.48Å; E227-D230 PolarHBondContact O-N 3.1Å; E227-D230 VanDerWaalsContact O-N 3.15Å; L228-D230 VanDerWaalsContact C-N 3.34Å; D230-E232 PolarHBondContact O-N 2.63Å; D230-K233 PolarHBondContact O-N 3.28Å; D230-S234 PolarHBondContact O-N 3.16Å
231F89.5Confident79.5Confident3 Ų351.1 Ų51.11%0.01328%0.276CS..Hα-helixtrans-59-45174.4-67.4-18.3000112W74 K77 A78 Q81 I146 E227 L228 S234 V235W74-F231 AromaticContact CD1-CE2 3.83Å; W74-F231 HydrophobicContact CD2-CE2 4.44Å; W74-F231 AromaticContact CE2-CE2 3.98Å; W74-F231 HydrophobicContact CG-CE2 4.35Å; W74-F231 HydrophobicContact CZ2-CZ 4.45Å; W74-F231 AromaticContact NE1-CE2 3.58Å; W74-F231 AromaticContact NE1-CZ 3.99Å; K77-F231 HydrophobicContact CB-CD2 3.83Å; K77-F231 HydrophobicContact CB-CE2 4.47Å; A78-F231 HydrophobicContact CB-CE2 4.21Å; A78-F231 HydrophobicContact CB-CZ 4.32Å; Q81-F231 VanDerWaalsContact NE2-CD1 3.28Å; Q81-F231 VanDerWaalsContact OE1-CE1 3.28Å; I146-F231 HydrophobicContact CD1-CE1 3.49Å; I146-F231 VanDerWaalsContact CD1-CE1 3.49Å; I146-F231 HydrophobicContact CD1-CZ 3.39Å; E227-F231 WeakPolarHBondContact O-CG 3.33Å; E227-F231 PolarHBondContact O-N 3.09Å; L228-F231 HydrophobicContact CD2-CD2 4.25Å; L228-F231 PolarHBondContact O-N 3.3Å; F231-S234 PolarHBondContact O-N 2.89Å; F231-S234 PolarHBondContact O-OG 3.15Å; F231-V235 WeakPolarHBondContact O-CG2 3.28Å; F231-V235 PolarHBondContact O-N 3.23Å
232E86.1Confident77.1Confident30 Ų3055.8 Ų55.814%0.1431%0.306CS..Hα-helixtrans-65.6-42.9178.3-74.1-177.2179.500112.6W8 Y9 L228 Y229 D230 S234 V235 V236W8-E232 WeakPolarHBondContact CA-OE1 3.36Å; W8-E232 VanDerWaalsContact CB-OE1 3.24Å; W8-E232 WeakPolarHBondContact CB-OE1 3.48Å; W8-E232 PolarHBondContact N-OE1 2.91Å; Y9-E232 WeakPolarHBondContact CD1-OE2 3.4Å; L228-E232 WeakPolarHBondContact O-CG 3.42Å; L228-E232 PolarHBondContact O-N 3.15Å; Y229-E232 PolarHBondContact O-N 3.28Å; D230-E232 PolarHBondContact O-N 2.63Å; E232-S234 VanDerWaalsContact C-N 3.29Å; E232-S234 PolarHBondContact O-N 3.26Å; E232-V235 PolarHBondContact O-N 2.95Å; E232-V235 VanDerWaalsContact O-N 3.14Å; E232-V236 PolarHBondContact O-N 3.45Å; E232-V236 VanDerWaalsContact O-N 3.17Å
233K83.2Confident74.7Confident90 Ų9061.8 Ų61.839%0.39133%0.328SS..Hα-helixtrans-60.4-39.3175.1-82.4-173.8164.4175.90112.8Y229 D230 V235 V236 N237Y229-K233 HydrophobicContact CD1-CD 4.29Å; Y229-K233 HydrophobicContact CE1-CD 3.77Å; Y229-K233 VanDerWaalsContact CE1-CE 3.41Å; Y229-K233 VanDerWaalsContact CZ-NZ 3.27Å; Y229-K233 PolarHBondContact O-N 3.07Å; Y229-K233 WeakPolarHBondContact OH-CE 3.43Å; Y229-K233 PolarHBondContact OH-NZ 2.66Å; D230-K233 PolarHBondContact O-N 3.28Å; K233-V235 PolarHBondContact O-N 3.42Å; K233-V236 PolarHBondContact O-N 3.15Å; K233-N237 PolarHBondContact O-N 3.29Å
234S74.5Confident72.1Confident41 Ų4165.9 Ų65.929%0.28735%0.349SS..Hα-helixtrans-62.5-30.617876.20000112.6Q81 D230 F231 E232 L238Q81-S234 PolarHBondContact NE2-OG 2.97Å; Q81-S234 VanDerWaalsContact NE2-OG 3.17Å; D230-S234 PolarHBondContact O-N 3.16Å; F231-S234 PolarHBondContact O-N 2.89Å; F231-S234 PolarHBondContact O-OG 3.15Å; E232-S234 VanDerWaalsContact C-N 3.29Å; E232-S234 PolarHBondContact O-N 3.26Å; S234-L238 VanDerWaalsContact O-CD1 3.28Å; S234-L238 WeakPolarHBondContact O-CD1 3.34Å; S234-L238 VanDerWaalsContact O-CG 3.25Å; S234-L238 WeakPolarHBondContact O-CG 3.36Å
235V65.3Low69.2Low55 Ų5573.3 Ų73.333%0.33339%0.389SS..Hα-helixtrans-74.6-47.2176.6176.40000110.9F231 E232 K233 N237 L238 E239F231-V235 WeakPolarHBondContact O-CG2 3.28Å; F231-V235 PolarHBondContact O-N 3.23Å; E232-V235 PolarHBondContact O-N 2.95Å; E232-V235 VanDerWaalsContact O-N 3.14Å; K233-V235 PolarHBondContact O-N 3.42Å; V235-N237 VanDerWaalsContact C-N 3.31Å; V235-N237 PolarHBondContact O-N 3.27Å; V235-L238 WeakPolarHBondContact O-CB 3.38Å; V235-L238 PolarHBondContact O-N 3.36Å; V235-E239 PolarHBondContact O-N 2.81Å; V235-E239 VanDerWaalsContact O-N 3.1Å
236V57.4Low66.3Low94 Ų9482.7 Ų82.757%0.5745%0.446SS*.Hα-helixtrans-60.8-40.7179.6176.90000111.5E232 K233 L238 E239 G240E232-V236 PolarHBondContact O-N 3.45Å; E232-V236 VanDerWaalsContact O-N 3.17Å; K233-V236 PolarHBondContact O-N 3.15Å; V236-L238 PolarHBondContact O-N 3.2Å; V236-E239 PolarHBondContact O-N 2.92Å; V236-G240 PolarHBondContact O-N 3Å
237N55Low64.8Low117 Ų11783.3 Ų83.363%0.62645%0.449SS*.Hα-helixtrans-64.6-21176.6-74.4-10.2000113.3K233 V235 I241K233-N237 PolarHBondContact O-N 3.29Å; V235-N237 VanDerWaalsContact C-N 3.31Å; V235-N237 PolarHBondContact O-N 3.27Å; N237-I241 WeakPolarHBondContact O-CD1 3.46Å; N237-I241 WeakPolarHBondContact O-CG1 3.42Å
238L52.4Low63.1Low64 Ų6487.6 Ų87.634%0.33547%0.473SS..Hα-helixtrans-87.4-36.8176.6-68.4165.8000111.9K84 S234 V235 V236 G240 I241 L244K84-L238 VanDerWaalsContact NZ-CD1 3.33Å; S234-L238 VanDerWaalsContact O-CD1 3.28Å; S234-L238 WeakPolarHBondContact O-CD1 3.34Å; S234-L238 VanDerWaalsContact O-CG 3.25Å; S234-L238 WeakPolarHBondContact O-CG 3.36Å; V235-L238 WeakPolarHBondContact O-CB 3.38Å; V235-L238 PolarHBondContact O-N 3.36Å; V236-L238 PolarHBondContact O-N 3.2Å; L238-G240 VanDerWaalsContact C-N 3.32Å; L238-I241 HydrophobicContact CD2-CD1 4.44Å; L238-I241 PolarHBondContact O-N 2.65Å; L238-L244 HydrophobicContact CD2-CD1 4.44Å
239E52.8Low61.3Low151 Ų15192.4 Ų92.471%0.70650%0.499SS*.Hα-helixtrans-69.9-30.2174.6-69.4177.9-18000112.2V235 V236 I241V235-E239 PolarHBondContact O-N 2.81Å; V235-E239 VanDerWaalsContact O-N 3.1Å; V236-E239 PolarHBondContact O-N 2.92Å; E239-I241 PolarHBondContact O-N 3.43Å
240G44.5Very low59.4Low62 Ų6292.8 Ų92.864%0.63951%0.508SS*.THydrogen-bonded Turntrans-72.7-3.4175.700000115.2V236 L238 P242V236-G240 PolarHBondContact O-N 3Å; L238-G240 VanDerWaalsContact C-N 3.32Å; G240-P242 VanDerWaalsContact O-CD 3.25Å; G240-P242 WeakPolarHBondContact O-CD 3.05Å
241I45Very low57.4Low76 Ų7697.3 Ų97.339%0.3953%0.533SS..  trans-90.3106.2175.8-61.4168000107.7N237 L238 E239 Y243 L244N237-I241 WeakPolarHBondContact O-CD1 3.46Å; N237-I241 WeakPolarHBondContact O-CG1 3.42Å; L238-I241 HydrophobicContact CD2-CD1 4.44Å; L238-I241 PolarHBondContact O-N 2.65Å; E239-I241 PolarHBondContact O-N 3.43Å; I241-Y243 PolarHBondContact O-N 2.97Å; I241-L244 HydrophobicContact CB-CD1 4.23Å; I241-L244 HydrophobicContact CD1-CD1 4.26Å; I241-L244 HydrophobicContact CG2-CD1 4.36Å; I241-L244 PolarHBondContact O-N 3.03Å; I241-L244 VanDerWaalsContact O-N 3.17Å
242P46.9Very low55.3Low104 Ų104103.6 Ų103.668%0.67557%0.568SS**THydrogen-bonded Turntrans-64.6-6.7-171.223.6-32.9000114.9G240G240-P242 VanDerWaalsContact O-CD 3.25Å; G240-P242 WeakPolarHBondContact O-CD 3.05Å
243Y48.6Very low53.1Low201 Ų201108.9 Ų108.979%0.78860%0.599SS**THydrogen-bonded Turntrans-997.1179.9-60-73.3000114.5I241I241-Y243 PolarHBondContact O-N 2.97Å
244L42.4Very low50.8Low106 Ų106110.3 Ų110.356%0.55562%0.615SS**  trans-97.49.6179.1-98159.1000114.9L238 I241 V246L238-L244 HydrophobicContact CD2-CD1 4.44Å; I241-L244 HydrophobicContact CB-CD1 4.23Å; I241-L244 HydrophobicContact CD1-CD1 4.26Å; I241-L244 HydrophobicContact CG2-CD1 4.36Å; I241-L244 PolarHBondContact O-N 3.03Å; I241-L244 VanDerWaalsContact O-N 3.17Å; L244-V246 VanDerWaalsContact C-N 3.32Å; L244-V246 PolarHBondContact O-N 2.63Å
245N38.1Very low48.8Very low161 Ų161116.1 Ų116.186%0.86164%0.642SS**  trans-80.981160.8-75.6-22.8000109.2
246V37.1Very low47.3Very low202 Ų202121.6 Ų121.6100%1.22467%0.67SS**  trans-126.60161.7-176.40000108.4L244L244-V246 VanDerWaalsContact C-N 3.32Å; L244-V246 PolarHBondContact O-N 2.63Å

Retrieved 246 of 246 residues in 152.8 ms (Link to these results)

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