X6RHR0_HUMAN Loading...

Pyrin and HIN domain family member 1

AlphaFold DB , UniProt , Accession X6RHR0, Species HUMAN (Homo sapiens, Human), Gene PYHIN1, Length 150 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
1M54.2Low87Confident238 Ų23869.5 Ų69.5100%1.17236%0.36SS*.  0127.30-16463.2170.100107.1N3M1-N3 PolarHBondContact O-N 3.4Å
2A59.9Low87.7Confident63 Ų6370.3 Ų70.352%0.52136%0.358SS..  trans-67.5127.4-178.300000110.7N4A2-N4 PolarHBondContact O-N 3.08Å
3N84.4Confident88.2Confident35 Ų3564.9 Ų64.919%0.18733%0.331CS..  trans-66.4121.9-178.4-171.3-15.2000110.6M1 Y5 K6 K7 E53M1-N3 PolarHBondContact O-N 3.4Å; N3-Y5 PolarHBondContact O-N 3.39Å; N3-Y5 WeakPolarHBondContact OD1-CB 3.34Å; N3-Y5 WeakPolarHBondContact OD1-CD2 3.43Å; N3-Y5 PolarHBondContact OD1-N 2.91Å; N3-K6 HydrophobicContact CB-CB 4.04Å; N3-K6 PolarHBondContact O-N 2.93Å; N3-K7 PolarHBondContact O-N 2.87Å; N3-E53 WeakPolarHBondContact CB-OE1 3.38Å
4N91.2Very high88.8Confident87 Ų8760.3 Ų60.347%0.46531%0.307SS..Hα-helixtrans-63.6-30.3178.5-73.4-35.6000112A2 I8 V89A2-N4 PolarHBondContact O-N 3.08Å; N4-I8 PolarHBondContact O-N 3.31Å; N4-V89 HydrophobicContact CB-CG1 4Å; N4-V89 HydrophobicContact CB-CG2 4.18Å
5Y93.8Very high89.3Confident32 Ų3263.5 Ų63.513%0.12532%0.32CS..Hα-helixtrans-70.6-41176.8-62-62.9000112.2N3 K7 I8 V9 D59 L62 K86 V89N3-Y5 PolarHBondContact O-N 3.39Å; N3-Y5 WeakPolarHBondContact OD1-CB 3.34Å; N3-Y5 WeakPolarHBondContact OD1-CD2 3.43Å; N3-Y5 PolarHBondContact OD1-N 2.91Å; Y5-K7 VanDerWaalsContact C-N 3.29Å; Y5-K7 PolarHBondContact O-N 3.28Å; Y5-I8 WeakPolarHBondContact O-CA 3.5Å; Y5-I8 WeakPolarHBondContact O-CB 3.46Å; Y5-I8 PolarHBondContact O-N 2.86Å; Y5-V9 WeakPolarHBondContact O-CG2 3.01Å; Y5-V9 PolarHBondContact O-N 2.81Å; Y5-D59 WeakPolarHBondContact CB-O 3.34Å; Y5-D59 HydrophobicContact CD2-CB 4.24Å; Y5-D59 HydrophobicContact CE2-CB 4.46Å; Y5-D59 HydrophobicContact CG-CB 4.31Å; Y5-L62 HydrophobicContact CD1-CD2 3.69Å; Y5-L62 HydrophobicContact CE1-CD2 4.42Å; Y5-K86 HydrophobicContact CE1-CG 4.12Å; Y5-V89 HydrophobicContact CD1-CB 4.24Å; Y5-V89 HydrophobicContact CD1-CG1 4.02Å; Y5-V89 HydrophobicContact CE1-CB 3.64Å; Y5-V89 HydrophobicContact CE1-CG1 3.47Å; Y5-V89 VanDerWaalsContact CE1-CG1 3.47Å; Y5-V89 HydrophobicContact CE1-CG2 4.38Å; Y5-V89 HydrophobicContact CE2-CG1 4.06Å
6K94.4Very high89.7Confident44 Ų4465.4 Ų65.419%0.19134%0.336CS..Hα-helixtrans-56.6-42.1173.3174173.6179.4176.40112.4N3 I8 V9 L10 D50 E53 A60N3-K6 HydrophobicContact CB-CB 4.04Å; N3-K6 PolarHBondContact O-N 2.93Å; K6-I8 VanDerWaalsContact C-N 3.25Å; K6-I8 PolarHBondContact O-N 3.28Å; K6-V9 PolarHBondContact O-N 3.27Å; K6-L10 PolarHBondContact O-N 3.41Å; K6-D50 WeakPolarHBondContact CE-OD1 3.49Å; K6-D50 IonicContact NZ-OD1 2.74Å; K6-D50 PolarHBondContact NZ-OD1 3Å; K6-E53 HydrophobicContact CD-CB 3.92Å; K6-E53 HydrophobicContact CD-CG 4.17Å; K6-E53 WeakPolarHBondContact CD-OE1 3.24Å; K6-E53 WeakPolarHBondContact CD-OE2 3.48Å; K6-E53 WeakPolarHBondContact CE-OE2 3.42Å; K6-E53 IonicContact NZ-OE2 2.65Å; K6-E53 PolarHBondContact NZ-OE2 3.41Å; K6-A60 HydrophobicContact CB-CB 4.06Å
7K94.7Very high90Very high111 Ų11161.9 Ų61.948%0.48332%0.318SS..Hα-helixtrans-59.6-36.3175.3-68-178178.3-179.20112.4N3 Y5 L11N3-K7 PolarHBondContact O-N 2.87Å; Y5-K7 VanDerWaalsContact C-N 3.29Å; Y5-K7 PolarHBondContact O-N 3.28Å; K7-L11 VanDerWaalsContact O-CB 3.27Å; K7-L11 WeakPolarHBondContact O-CB 3.22Å; K7-L11 WeakPolarHBondContact O-CG 3.35Å; K7-L11 PolarHBondContact O-N 2.86Å
8I95.5Very high90.3Very high11 Ų1163 Ų636%0.05633%0.325CS..Hα-helixtrans-72.1-47.1175.7-66.1163.3000110.4N4 Y5 K6 L10 K12 G13 L62 L82 E85 V89N4-I8 PolarHBondContact O-N 3.31Å; Y5-I8 WeakPolarHBondContact O-CA 3.5Å; Y5-I8 WeakPolarHBondContact O-CB 3.46Å; Y5-I8 PolarHBondContact O-N 2.86Å; K6-I8 VanDerWaalsContact C-N 3.25Å; K6-I8 PolarHBondContact O-N 3.28Å; I8-L10 VanDerWaalsContact C-N 3.35Å; I8-L10 PolarHBondContact O-N 3.28Å; I8-K12 HydrophobicContact CG2-CB 4.38Å; I8-K12 CarbonylContact O-C 3.59Å; I8-K12 WeakPolarHBondContact O-CA 3.45Å; I8-K12 WeakPolarHBondContact O-CB 3.39Å; I8-K12 PolarHBondContact O-N 3.49Å; I8-G13 PolarHBondContact O-N 3.12Å; I8-G13 VanDerWaalsContact O-N 3.16Å; I8-L62 HydrophobicContact CB-CD2 4.33Å; I8-L62 HydrophobicContact CD1-CD2 4.42Å; I8-L62 HydrophobicContact CG2-CD1 3.78Å; I8-L62 HydrophobicContact CG2-CD2 3.94Å; I8-L82 HydrophobicContact CG2-CD2 3.58Å; I8-E85 HydrophobicContact CD1-CB 3.93Å; I8-E85 HydrophobicContact CG1-CB 4.26Å; I8-E85 HydrophobicContact CG2-CB 3.94Å; I8-V89 HydrophobicContact CD1-CG2 3.43Å; I8-V89 VanDerWaalsContact CD1-CG2 3.43Å
9V96.3Very high90.5Very high0 Ų066.2 Ų66.20%034%0.342CS..Iπ-helixtrans-54.7-48.7177.3166.40000111.3Y5 K6 G13 L14 A49 M52 L62 L65Y5-V9 WeakPolarHBondContact O-CG2 3.01Å; Y5-V9 PolarHBondContact O-N 2.81Å; K6-V9 PolarHBondContact O-N 3.27Å; V9-G13 CarbonylContact O-C 3.52Å; V9-G13 WeakPolarHBondContact O-CA 3.4Å; V9-G13 PolarHBondContact O-N 3.26Å; V9-L14 HydrophobicContact CG1-CD1 4.2Å; V9-L14 HydrophobicContact CG1-CG 4.4Å; V9-L14 PolarHBondContact O-N 3.16Å; V9-A49 HydrophobicContact CG1-CB 4.32Å; V9-M52 HydrophobicContact CG1-CE 4.23Å; V9-M52 HydrophobicContact CG1-SD 4.04Å; V9-L62 HydrophobicContact CG2-CB 3.79Å; V9-L62 HydrophobicContact CG2-CD1 3.98Å; V9-L62 HydrophobicContact CG2-CG 4.45Å; V9-L65 HydrophobicContact CG1-CD2 4.25Å
10L96.6Very high90.7Very high33 Ų3369.9 Ų69.917%0.17335%0.353CS..Iπ-helixtrans-70.5-66.9177.7-176.657.9000111.4K6 I8 K12 L14 E15 K45 I46 A49K6-L10 PolarHBondContact O-N 3.41Å; I8-L10 VanDerWaalsContact C-N 3.35Å; I8-L10 PolarHBondContact O-N 3.28Å; L10-K12 PolarHBondContact O-N 3.46Å; L10-L14 PolarHBondContact O-N 3.44Å; L10-E15 VanDerWaalsContact O-CB 3.22Å; L10-E15 WeakPolarHBondContact O-CB 3.31Å; L10-E15 PolarHBondContact O-N 2.85Å; L10-K45 HydrophobicContact CD1-CB 4.27Å; L10-I46 HydrophobicContact CD1-CG1 4.21Å; L10-I46 HydrophobicContact CD2-CG1 4.4Å; L10-A49 HydrophobicContact CB-CB 3.99Å; L10-A49 HydrophobicContact CD1-CB 4.18Å
11L96Very high91Very high111 Ų11167.6 Ų67.658%0.58134%0.341SS*.Iπ-helixtrans-74.4-24.1-165.6-57.9175.8000114.6K7K7-L11 VanDerWaalsContact O-CB 3.27Å; K7-L11 WeakPolarHBondContact O-CB 3.22Å; K7-L11 WeakPolarHBondContact O-CG 3.35Å; K7-L11 PolarHBondContact O-N 2.86Å
12K95Very high92.9Very high79 Ų7956.9 Ų56.934%0.34329%0.288SS..Iπ-helixtrans-117.1-6.5-177.7-60.8-170.9175-173.30113.2I8 L10 L78 L82 E85I8-K12 HydrophobicContact CG2-CB 4.38Å; I8-K12 CarbonylContact O-C 3.59Å; I8-K12 WeakPolarHBondContact O-CA 3.45Å; I8-K12 WeakPolarHBondContact O-CB 3.39Å; I8-K12 PolarHBondContact O-N 3.49Å; L10-K12 PolarHBondContact O-N 3.46Å; K12-L78 VanDerWaalsContact O-CD1 3.3Å; K12-L78 WeakPolarHBondContact O-CD1 3.47Å; K12-L82 HydrophobicContact CB-CD2 3.97Å; K12-L82 WeakPolarHBondContact O-CD2 3.41Å; K12-E85 HydrophobicContact CD-CG 3.81Å; K12-E85 IonicContact NZ-OE1 2.62Å; K12-E85 PolarHBondContact NZ-OE1 3.39Å; K12-E85 IonicContact NZ-OE2 2.76Å; K12-E85 PolarHBondContact NZ-OE2 2.88Å
13G95.2Very high94.6Very high0 Ų061.4 Ų61.40%029%0.291CS..Iπ-helixtrans-111.8-79.9177.900000111.3I8 V9I8-G13 PolarHBondContact O-N 3.12Å; I8-G13 VanDerWaalsContact O-N 3.16Å; V9-G13 CarbonylContact O-C 3.52Å; V9-G13 WeakPolarHBondContact O-CA 3.4Å; V9-G13 PolarHBondContact O-N 3.26Å
14L96.6Very high95.1Very high0 Ų062.1 Ų62.10%030%0.295CS..Iπ-helixtrans-71.5-34.6-171.6-58.5-179.8000113.3V9 L10 I17 F22 V25 K45 I48 A49 L65V9-L14 HydrophobicContact CG1-CD1 4.2Å; V9-L14 HydrophobicContact CG1-CG 4.4Å; V9-L14 PolarHBondContact O-N 3.16Å; L10-L14 PolarHBondContact O-N 3.44Å; L14-I17 HydrophobicContact CD2-CD1 4.36Å; L14-I17 WeakPolarHBondContact O-CG1 3.3Å; L14-F22 HydrophobicContact CD1-CE2 4.5Å; L14-F22 HydrophobicContact CD2-CD2 4.22Å; L14-F22 HydrophobicContact CD2-CE2 4.22Å; L14-V25 HydrophobicContact CD2-CG1 4.05Å; L14-K45 HydrophobicContact CB-CB 4.14Å; L14-K45 HydrophobicContact CB-CG 4.34Å; L14-K45 WeakPolarHBondContact CD1-O 3.15Å; L14-K45 WeakPolarHBondContact O-CD 3.49Å; L14-K45 WeakPolarHBondContact O-CE 3.38Å; L14-K45 PolarHBondContact O-NZ 3.24Å; L14-K45 VanDerWaalsContact O-NZ 3.16Å; L14-I48 HydrophobicContact CD1-CB 4.23Å; L14-I48 HydrophobicContact CD1-CG2 3.85Å; L14-A49 HydrophobicContact CD1-CB 4.14Å; L14-L65 HydrophobicContact CD2-CD1 3.96Å; L14-L65 HydrophobicContact CD2-CD2 4.43Å
15E96.1Very high95.2Very high108 Ų10858 Ų5851%0.50527%0.272SS..THydrogen-bonded Turntrans-67.5-43-178.9-172.658.9-168.100112.1L10 I17 K45L10-E15 VanDerWaalsContact O-CB 3.22Å; L10-E15 WeakPolarHBondContact O-CB 3.31Å; L10-E15 PolarHBondContact O-N 2.85Å; E15-I17 VanDerWaalsContact C-N 3.28Å; E15-I17 PolarHBondContact O-N 2.8Å; E15-K45 PolarHBondContact O-NZ 3.24Å
16V94.7Very high95.2Very high94 Ų9457.3 Ų57.357%0.5727%0.27SS*.THydrogen-bonded Turntrans-69.4-22.9-174.9-172.90000112.9L78V16-L78 HydrophobicContact CB-CD1 4.44Å; V16-L78 HydrophobicContact CB-CD2 4.3Å; V16-L78 HydrophobicContact CG1-CD1 4.18Å; V16-L78 HydrophobicContact CG1-CD2 4.35Å
17I95.1Very high95.2Very high6 Ų658.1 Ų58.13%0.03128%0.282CS..SBendtrans-86.2146.9-179.961.9172.4000112.6L14 E15 H21 F22 V25 K45 F69 L75 L78L14-I17 HydrophobicContact CD2-CD1 4.36Å; L14-I17 WeakPolarHBondContact O-CG1 3.3Å; E15-I17 VanDerWaalsContact C-N 3.28Å; E15-I17 PolarHBondContact O-N 2.8Å; I17-H21 HydrophobicContact CB-CB 4Å; I17-H21 HydrophobicContact CD1-CB 4.35Å; I17-F22 HydrophobicContact CD1-CB 4.01Å; I17-F22 HydrophobicContact CD1-CD2 4.33Å; I17-F22 HydrophobicContact CG1-CB 4.31Å; I17-V25 HydrophobicContact CD1-CG2 4.06Å; I17-K45 WeakPolarHBondContact O-CE 3.41Å; I17-K45 PolarHBondContact O-NZ 2.94Å; I17-F69 HydrophobicContact CD1-CE1 4.32Å; I17-F69 HydrophobicContact CD1-CZ 4.12Å; I17-F69 HydrophobicContact CG2-CE2 4.3Å; I17-F69 HydrophobicContact CG2-CZ 3.95Å; I17-L75 HydrophobicContact CG2-CD1 4.08Å; I17-L75 HydrophobicContact CG2-CD2 3.62Å; I17-L78 HydrophobicContact CG2-CD2 3.57Å
18N95.1Very high95.1Very high82 Ų8256 Ų5644%0.43928%0.275SS..  trans-73.1168.6173.468.332.4000112.1Y20 H21 F22N18-Y20 VanDerWaalsContact C-N 3.28Å; N18-Y20 PolarHBondContact O-N 3.35Å; N18-Y20 PolarHBondContact OD1-N 3.3Å; N18-H21 PolarHBondContact O-N 2.95Å; N18-H21 WeakPolarHBondContact OD1-CB 3.36Å; N18-H21 VanDerWaalsContact OD1-CG 3.31Å; N18-H21 PolarHBondContact OD1-N 3.39Å; N18-H21 PolarHBondContact OD1-ND1 2.84Å; N18-F22 WeakPolarHBondContact O-CB 3.33Å; N18-F22 PolarHBondContact O-N 3Å
19D94.9Very high95Very high124 Ų12455.4 Ų55.466%0.66327%0.272SS*.Hα-helixtrans-64.3-30.4-174.7-56.2-29.8000113.5F22 R23D19-F22 PolarHBondContact O-N 2.84Å; D19-R23 WeakPolarHBondContact O-CB 3.47Å; D19-R23 PolarHBondContact O-N 3.25Å
20Y95.2Very high94.9Very high139 Ų13956 Ų5655%0.54528%0.276SS..Hα-helixtrans-65.7-51.1175.9173.1-102.2000111.4N18 F22 R23 I24N18-Y20 VanDerWaalsContact C-N 3.28Å; N18-Y20 PolarHBondContact O-N 3.35Å; N18-Y20 PolarHBondContact OD1-N 3.3Å; Y20-F22 VanDerWaalsContact C-N 3.33Å; Y20-F22 PolarHBondContact O-N 3.36Å; Y20-R23 PolarHBondContact O-N 3.16Å; Y20-I24 HydrophobicContact CD1-CD1 4.1Å; Y20-I24 HydrophobicContact CE1-CD1 3.53Å; Y20-I24 HydrophobicContact CE2-CD1 4.41Å; Y20-I24 PolarHBondContact O-N 3.08Å; Y20-I24 VanDerWaalsContact O-N 3.12Å
21H95.6Very high94.7Very high23 Ų2361 Ų6111%0.10630%0.303CS..Hα-helixtrans-62.1-40.7173.7-66.1154.1000111.2I17 N18 R23 I24 V25 T74 L75I17-H21 HydrophobicContact CB-CB 4Å; I17-H21 HydrophobicContact CD1-CB 4.35Å; N18-H21 PolarHBondContact O-N 2.95Å; N18-H21 WeakPolarHBondContact OD1-CB 3.36Å; N18-H21 VanDerWaalsContact OD1-CG 3.31Å; N18-H21 PolarHBondContact OD1-N 3.39Å; N18-H21 PolarHBondContact OD1-ND1 2.84Å; H21-R23 VanDerWaalsContact C-N 3.32Å; H21-R23 PolarHBondContact O-N 2.94Å; H21-I24 WeakPolarHBondContact O-CB 3.29Å; H21-I24 PolarHBondContact O-N 3.26Å; H21-V25 VanDerWaalsContact O-CG2 3.25Å; H21-V25 WeakPolarHBondContact O-CG2 3.4Å; H21-V25 PolarHBondContact O-N 2.85Å; H21-T74 PolarHBondContact CE1-OG1 3.1Å; H21-T74 VanDerWaalsContact CE1-OG1 3.28Å; H21-T74 PolarHBondContact NE2-OG1 3.19Å; H21-L75 HydrophobicContact CB-CD1 4.25Å
22F95.7Very high94.5Very high13 Ų1358.8 Ų58.86%0.05729%0.292CS..Hα-helixtrans-62.8-37.4176.8-177.7-126.9000112.1L14 I17 N18 D19 Y20 V25 K26 K45 I48L14-F22 HydrophobicContact CD1-CE2 4.5Å; L14-F22 HydrophobicContact CD2-CD2 4.22Å; L14-F22 HydrophobicContact CD2-CE2 4.22Å; I17-F22 HydrophobicContact CD1-CB 4.01Å; I17-F22 HydrophobicContact CD1-CD2 4.33Å; I17-F22 HydrophobicContact CG1-CB 4.31Å; N18-F22 WeakPolarHBondContact O-CB 3.33Å; N18-F22 PolarHBondContact O-N 3Å; D19-F22 PolarHBondContact O-N 2.84Å; Y20-F22 VanDerWaalsContact C-N 3.33Å; Y20-F22 PolarHBondContact O-N 3.36Å; F22-V25 PolarHBondContact O-N 2.92Å; F22-K26 HydrophobicContact CD1-CD 4.42Å; F22-K26 HydrophobicContact CD2-CG 4.29Å; F22-K26 HydrophobicContact CE1-CD 3.76Å; F22-K26 HydrophobicContact CE1-CG 4.2Å; F22-K26 HydrophobicContact CE2-CD 4.25Å; F22-K26 HydrophobicContact CE2-CG 3.86Å; F22-K26 HydrophobicContact CZ-CD 3.65Å; F22-K26 HydrophobicContact CZ-CG 3.8Å; F22-K26 WeakPolarHBondContact O-CB 3.21Å; F22-K26 WeakPolarHBondContact O-CG 3.39Å; F22-K26 PolarHBondContact O-N 2.86Å; F22-K45 HydrophobicContact CD1-CG 4.07Å; F22-K45 HydrophobicContact CD2-CG 4.14Å; F22-K45 HydrophobicContact CE1-CG 3.87Å; F22-K45 HydrophobicContact CE2-CB 4.48Å; F22-K45 HydrophobicContact CE2-CG 3.96Å; F22-K45 HydrophobicContact CG-CG 4.21Å; F22-K45 HydrophobicContact CZ-CB 4.3Å; F22-K45 HydrophobicContact CZ-CG 3.83Å; F22-I48 HydrophobicContact CE2-CB 4.28Å; F22-I48 HydrophobicContact CE2-CG1 4.15Å; F22-I48 HydrophobicContact CE2-CG2 4.41Å; F22-I48 HydrophobicContact CZ-CB 4.27Å; F22-I48 HydrophobicContact CZ-CG1 3.81Å
23R94.7Very high94.4Very high158 Ų15855.2 Ų55.260%0.59628%0.276SS*.Hα-helixtrans-66.1-36.5173.6-171.3175.467.2-178.41.3112.9D19 Y20 H21 S27D19-R23 WeakPolarHBondContact O-CB 3.47Å; D19-R23 PolarHBondContact O-N 3.25Å; Y20-R23 PolarHBondContact O-N 3.16Å; H21-R23 VanDerWaalsContact C-N 3.32Å; H21-R23 PolarHBondContact O-N 2.94Å; R23-S27 PolarHBondContact O-N 3.37Å; R23-S27 VanDerWaalsContact O-N 3.11Å; R23-S27 PolarHBondContact O-OG 2.79Å
24I94.8Very high94.3Very high50 Ų5063.2 Ų63.226%0.25631%0.311SS..Hα-helixtrans-62.8-50.6171.4-66.7168000109.5Y20 H21 K26 S27 L28 I72Y20-I24 HydrophobicContact CD1-CD1 4.1Å; Y20-I24 HydrophobicContact CE1-CD1 3.53Å; Y20-I24 HydrophobicContact CE2-CD1 4.41Å; Y20-I24 PolarHBondContact O-N 3.08Å; Y20-I24 VanDerWaalsContact O-N 3.12Å; H21-I24 WeakPolarHBondContact O-CB 3.29Å; H21-I24 PolarHBondContact O-N 3.26Å; I24-K26 PolarHBondContact O-N 2.9Å; I24-S27 WeakPolarHBondContact O-CA 3.25Å; I24-S27 WeakPolarHBondContact O-CB 3.46Å; I24-S27 PolarHBondContact O-N 3.32Å; I24-L28 HydrophobicContact CG2-CD1 3.93Å; I24-L28 HydrophobicContact CG2-CG 4.33Å; I24-L28 WeakPolarHBondContact O-CG 3.32Å; I24-L28 PolarHBondContact O-N 3.17Å; I24-I72 HydrophobicContact CG2-CD1 3.84Å; I24-I72 HydrophobicContact CG2-CG1 4.42Å
25V94.3Very high94.1Very high0 Ų063.7 Ų63.70%031%0.314CS..Hα-helixtrans-61.1-43.6-179.3172.20000111.8L14 I17 H21 F22 S27 L28 L29 L65 F69 I72L14-V25 HydrophobicContact CD2-CG1 4.05Å; I17-V25 HydrophobicContact CD1-CG2 4.06Å; H21-V25 VanDerWaalsContact O-CG2 3.25Å; H21-V25 WeakPolarHBondContact O-CG2 3.4Å; H21-V25 PolarHBondContact O-N 2.85Å; F22-V25 PolarHBondContact O-N 2.92Å; V25-S27 VanDerWaalsContact C-N 3.25Å; V25-S27 PolarHBondContact O-N 2.98Å; V25-L28 PolarHBondContact O-N 3.44Å; V25-L29 HydrophobicContact CG1-CD1 3.7Å; V25-L29 HydrophobicContact CG1-CG 4.49Å; V25-L29 WeakPolarHBondContact O-CB 3.42Å; V25-L29 WeakPolarHBondContact O-CG 3.42Å; V25-L29 PolarHBondContact O-N 3.11Å; V25-L65 HydrophobicContact CG1-CD1 3.88Å; V25-F69 HydrophobicContact CG2-CD1 4.33Å; V25-F69 HydrophobicContact CG2-CE1 3.71Å; V25-I72 HydrophobicContact CG2-CD1 4.29Å
26K93.6Very high93.9Very high17 Ų1763 Ų637%0.07431%0.314CS..Hα-helixtrans-59.1-34.6171.4-78.5-160.9-76.4-177.80112.5F22 I24 S30 L35 K40 E41 Y43 I48F22-K26 HydrophobicContact CD1-CD 4.42Å; F22-K26 HydrophobicContact CD2-CG 4.29Å; F22-K26 HydrophobicContact CE1-CD 3.76Å; F22-K26 HydrophobicContact CE1-CG 4.2Å; F22-K26 HydrophobicContact CE2-CD 4.25Å; F22-K26 HydrophobicContact CE2-CG 3.86Å; F22-K26 HydrophobicContact CZ-CD 3.65Å; F22-K26 HydrophobicContact CZ-CG 3.8Å; F22-K26 WeakPolarHBondContact O-CB 3.21Å; F22-K26 WeakPolarHBondContact O-CG 3.39Å; F22-K26 PolarHBondContact O-N 2.86Å; I24-K26 PolarHBondContact O-N 2.9Å; K26-S30 WeakPolarHBondContact O-CB 3.48Å; K26-S30 PolarHBondContact O-N 2.8Å; K26-L35 WeakPolarHBondContact O-CD1 3.22Å; K26-K40 WeakPolarHBondContact CE-O 3.19Å; K26-K40 PolarHBondContact NZ-O 3.01Å; K26-E41 PolarHBondContact NZ-O 3.44Å; K26-Y43 PolarHBondContact NZ-O 3.49Å; K26-I48 HydrophobicContact CD-CD1 4.13Å; K26-I48 HydrophobicContact CD-CG1 4.03Å; K26-I48 HydrophobicContact CG-CD1 4.13Å; K26-I48 HydrophobicContact CG-CG1 4.09Å
27S92.9Very high93.7Very high62 Ų6263.3 Ų63.343%0.43432%0.318SS..Hα-helixtrans-72.3-45177-59.20000111.8R23 I24 V25 S30R23-S27 PolarHBondContact O-N 3.37Å; R23-S27 VanDerWaalsContact O-N 3.11Å; R23-S27 PolarHBondContact O-OG 2.79Å; I24-S27 WeakPolarHBondContact O-CA 3.25Å; I24-S27 WeakPolarHBondContact O-CB 3.46Å; I24-S27 PolarHBondContact O-N 3.32Å; V25-S27 VanDerWaalsContact C-N 3.25Å; V25-S27 PolarHBondContact O-N 2.98Å; S27-S30 WeakPolarHBondContact O-CB 3.34Å; S27-S30 PolarHBondContact O-N 3.16Å; S27-S30 PolarHBondContact O-OG 2.81Å
28L94.2Very high93.5Very high65 Ų6570.3 Ų70.334%0.3435%0.348SS..Hα-helixtrans-62.6-45.7177.1-65.8172.5000111.7I24 V25 S30 F68 I72I24-L28 HydrophobicContact CG2-CD1 3.93Å; I24-L28 HydrophobicContact CG2-CG 4.33Å; I24-L28 WeakPolarHBondContact O-CG 3.32Å; I24-L28 PolarHBondContact O-N 3.17Å; V25-L28 PolarHBondContact O-N 3.44Å; L28-S30 PolarHBondContact O-N 3.38Å; L28-F68 HydrophobicContact CB-CD1 4.1Å; L28-F68 HydrophobicContact CB-CD2 4.23Å; L28-F68 HydrophobicContact CB-CE1 4.08Å; L28-F68 HydrophobicContact CB-CE2 4.22Å; L28-F68 HydrophobicContact CB-CG 4.18Å; L28-F68 HydrophobicContact CB-CZ 4.14Å; L28-F68 HydrophobicContact CD1-CB 3.9Å; L28-F68 HydrophobicContact CD1-CD1 3.93Å; L28-F68 HydrophobicContact CD1-CG 3.92Å; L28-F68 HydrophobicContact CG-CD1 4.47Å; L28-I72 HydrophobicContact CD1-CD1 4.4Å
29L93.4Very high93.2Very high0 Ų069 Ų690%034%0.34CS..THydrogen-bonded Turntrans-69.3-7176.3-76.7166.6000114.3V25 N31 D32 L33 I48 M52 F56 F68V25-L29 HydrophobicContact CG1-CD1 3.7Å; V25-L29 HydrophobicContact CG1-CG 4.49Å; V25-L29 WeakPolarHBondContact O-CB 3.42Å; V25-L29 WeakPolarHBondContact O-CG 3.42Å; V25-L29 PolarHBondContact O-N 3.11Å; L29-N31 VanDerWaalsContact C-N 3.33Å; L29-N31 PolarHBondContact O-N 2.77Å; L29-D32 PolarHBondContact O-N 3Å; L29-L33 HydrophobicContact CB-CD1 3.9Å; L29-L33 HydrophobicContact CB-CG 4.13Å; L29-L33 HydrophobicContact CD1-CD1 4.17Å; L29-L33 HydrophobicContact CD2-CD1 4.33Å; L29-L33 HydrophobicContact CD2-CG 4.33Å; L29-L33 HydrophobicContact CG-CD1 4.38Å; L29-L33 WeakPolarHBondContact O-CB 3.27Å; L29-L33 PolarHBondContact O-N 2.76Å; L29-I48 HydrophobicContact CD1-CG2 4.23Å; L29-M52 HydrophobicContact CD1-CE 4.33Å; L29-M52 HydrophobicContact CD1-SD 3.72Å; L29-M52 HydrophobicContact CD2-CE 4.18Å; L29-M52 HydrophobicContact CD2-SD 4.4Å; L29-F56 HydrophobicContact CD2-CE2 4.49Å; L29-F68 HydrophobicContact CD2-CD2 4.47Å; L29-F68 HydrophobicContact CD2-CE2 3.75Å; L29-F68 HydrophobicContact CG-CD2 4.39Å; L29-F68 HydrophobicContact CG-CE2 3.92Å
30S93.6Very high92.9Very high13 Ų1366.6 Ų66.69%0.09132%0.323CS..THydrogen-bonded Turntrans-68-29.4-16665.30000115.2K26 S27 L28 K34 L35 K40K26-S30 WeakPolarHBondContact O-CB 3.48Å; K26-S30 PolarHBondContact O-N 2.8Å; S27-S30 WeakPolarHBondContact O-CB 3.34Å; S27-S30 PolarHBondContact O-N 3.16Å; S27-S30 PolarHBondContact O-OG 2.81Å; L28-S30 PolarHBondContact O-N 3.38Å; S30-K34 CarbonylContact O-C 3.21Å; S30-K34 VanDerWaalsContact O-CA 3.22Å; S30-K34 WeakPolarHBondContact O-CA 3.41Å; S30-K34 PolarHBondContact O-N 2.86Å; S30-L35 PolarHBondContact O-N 3.1Å; S30-K40 PolarHBondContact OG-NZ 3.37Å
31N91.9Very high92.6Very high137 Ų13767.9 Ų67.973%0.73333%0.334SS*.THydrogen-bonded Turntrans-76.1-45.7175.4-65.4-21.3000110.7L29 K34L29-N31 VanDerWaalsContact C-N 3.33Å; L29-N31 PolarHBondContact O-N 2.77Å; N31-K34 PolarHBondContact O-N 3.41Å
32D92.4Very high92.4Very high64 Ų6473.3 Ų73.334%0.34236%0.36SS..THydrogen-bonded Turntrans-61.5-45.8179.4-71.3-21.2000112.2L29 F56L29-D32 PolarHBondContact O-N 3Å; D32-F56 HydrophobicContact CB-CE2 4.48Å; D32-F56 HydrophobicContact CB-CZ 3.81Å
33L93.6Very high92.4Very high4 Ų475.3 Ų75.32%0.02137%0.367CS..THydrogen-bonded Turntrans-89.1-3.6-179.6-59.2-174.4000113.5L29 L35 I48 L51 M52 K55 F56L29-L33 HydrophobicContact CB-CD1 3.9Å; L29-L33 HydrophobicContact CB-CG 4.13Å; L29-L33 HydrophobicContact CD1-CD1 4.17Å; L29-L33 HydrophobicContact CD2-CD1 4.33Å; L29-L33 HydrophobicContact CD2-CG 4.33Å; L29-L33 HydrophobicContact CG-CD1 4.38Å; L29-L33 WeakPolarHBondContact O-CB 3.27Å; L29-L33 PolarHBondContact O-N 2.76Å; L33-L35 VanDerWaalsContact C-N 3.34Å; L33-L35 HydrophobicContact CB-CD2 3.91Å; L33-L35 HydrophobicContact CB-CG 3.9Å; L33-L35 PolarHBondContact O-N 3.35Å; L33-I48 HydrophobicContact CD1-CD1 4.41Å; L33-I48 HydrophobicContact CD1-CG2 4.23Å; L33-L51 HydrophobicContact CB-CD2 3.89Å; L33-L51 HydrophobicContact CB-CG 4.35Å; L33-L51 HydrophobicContact CD1-CD2 4.3Å; L33-L51 HydrophobicContact CD2-CG 4.32Å; L33-M52 HydrophobicContact CD1-CG 3.76Å; L33-M52 HydrophobicContact CD2-CG 3.97Å; L33-M52 HydrophobicContact CG-CG 4.44Å; L33-K55 HydrophobicContact CD2-CB 3.89Å; L33-K55 HydrophobicContact CD2-CG 3.78Å; L33-F56 HydrophobicContact CD2-CD2 4.35Å; L33-F56 HydrophobicContact CD2-CE2 3.82Å
34K92.9Very high92.4Very high168 Ų16871.3 Ų71.373%0.7336%0.358SS*.THydrogen-bonded Turntrans52.846.6-176-56.9-178-179.3-178.70113S30 N31 N36S30-K34 CarbonylContact O-C 3.21Å; S30-K34 VanDerWaalsContact O-CA 3.22Å; S30-K34 WeakPolarHBondContact O-CA 3.41Å; S30-K34 PolarHBondContact O-N 2.86Å; N31-K34 PolarHBondContact O-N 3.41Å; K34-N36 PolarHBondContact O-N 3.17Å
35L92.6Very high92.5Very high11 Ų1170.6 Ų70.66%0.05835%0.353CS..  trans-72.4114.2-176.8-59.7-179.9000111.7K26 S30 L33 M39 K40 I48 L51K26-L35 WeakPolarHBondContact O-CD1 3.22Å; S30-L35 PolarHBondContact O-N 3.1Å; L33-L35 VanDerWaalsContact C-N 3.34Å; L33-L35 HydrophobicContact CB-CD2 3.91Å; L33-L35 HydrophobicContact CB-CG 3.9Å; L33-L35 PolarHBondContact O-N 3.35Å; L35-M39 HydrophobicContact CD2-CB 4.4Å; L35-K40 HydrophobicContact CB-CG 3.84Å; L35-K40 HydrophobicContact CD1-CG 4.42Å; L35-K40 WeakPolarHBondContact O-CE 3.47Å; L35-I48 HydrophobicContact CD1-CD1 3.91Å; L35-I48 HydrophobicContact CD2-CD1 4.06Å; L35-L51 HydrophobicContact CD2-CD2 3.57Å
36N91.5Very high92.6Very high94 Ų9474.8 Ų74.850%0.50337%0.374SS..  trans-63.8155.5168.1-67.3-48.8000111.2K34 K38 M39 K40K34-N36 PolarHBondContact O-N 3.17Å; N36-K38 VanDerWaalsContact C-N 3.31Å; N36-K38 PolarHBondContact O-N 3.13Å; N36-M39 HydrophobicContact CB-CG 4.21Å; N36-M39 HydrophobicContact CB-SD 3.96Å; N36-M39 WeakPolarHBondContact O-CA 3.39Å; N36-M39 WeakPolarHBondContact O-CB 3.46Å; N36-M39 PolarHBondContact O-N 3.02Å; N36-K40 PolarHBondContact O-N 3.41Å
37P90.1Very high92.7Very high100 Ų10077.8 Ų77.865%0.64939%0.389SS*.Hα-helixtrans-51-45.3179.8-29.436.1000113.9M39 K40 E41P37-M39 PolarHBondContact O-N 3.37Å; P37-K40 WeakPolarHBondContact O-CB 3.2Å; P37-K40 PolarHBondContact O-N 2.81Å; P37-K40 VanDerWaalsContact O-N 3.13Å; P37-E41 PolarHBondContact O-N 3.26Å
38K90.3Very high92.8Very high152 Ų15274.9 Ų74.966%0.66137%0.368SS*.Hα-helixtrans-56.9-45.9174.5-63.2-170.5176-169.80112.8N36 K40 E41 E42N36-K38 VanDerWaalsContact C-N 3.31Å; N36-K38 PolarHBondContact O-N 3.13Å; K38-K40 VanDerWaalsContact C-N 3.29Å; K38-K40 PolarHBondContact O-N 2.76Å; K38-E41 PolarHBondContact O-N 3.06Å; K38-E41 VanDerWaalsContact O-N 3.17Å; K38-E42 WeakPolarHBondContact O-CB 3.45Å; K38-E42 WeakPolarHBondContact O-CG 3.31Å; K38-E42 PolarHBondContact O-N 3.47Å
39M89.4Confident92.9Very high56 Ų5671.8 Ų71.828%0.27635%0.352SS..Hα-helixtrans-64.5-33.2178.3-62.3169.1165.400111.9L35 N36 P37 E41 Y43L35-M39 HydrophobicContact CD2-CB 4.4Å; N36-M39 HydrophobicContact CB-CG 4.21Å; N36-M39 HydrophobicContact CB-SD 3.96Å; N36-M39 WeakPolarHBondContact O-CA 3.39Å; N36-M39 WeakPolarHBondContact O-CB 3.46Å; N36-M39 PolarHBondContact O-N 3.02Å; P37-M39 PolarHBondContact O-N 3.37Å; M39-E41 VanDerWaalsContact C-N 3.27Å; M39-E41 PolarHBondContact O-N 2.93Å; M39-Y43 HydrophobicContact CB-CD1 3.93Å; M39-Y43 HydrophobicContact CB-CD2 4.43Å; M39-Y43 HydrophobicContact CB-CE1 3.91Å; M39-Y43 HydrophobicContact CB-CE2 4.42Å; M39-Y43 HydrophobicContact CB-CG 4.2Å; M39-Y43 HydrophobicContact CG-CD1 4.2Å; M39-Y43 HydrophobicContact CG-CE1 3.66Å; M39-Y43 HydrophobicContact CG-CE2 4.44Å; M39-Y43 WeakPolarHBondContact O-CB 3.32Å; M39-Y43 PolarHBondContact O-N 3.19Å
40K88Confident93Very high72 Ų7275.2 Ų75.231%0.31337%0.37SS..Hα-helixtrans-63.7-34.5175.8-65.2-176.9-179.8-162.10112.3K26 S30 L35 N36 P37 K38K26-K40 WeakPolarHBondContact CE-O 3.19Å; K26-K40 PolarHBondContact NZ-O 3.01Å; S30-K40 PolarHBondContact OG-NZ 3.37Å; L35-K40 HydrophobicContact CB-CG 3.84Å; L35-K40 HydrophobicContact CD1-CG 4.42Å; L35-K40 WeakPolarHBondContact O-CE 3.47Å; N36-K40 PolarHBondContact O-N 3.41Å; P37-K40 WeakPolarHBondContact O-CB 3.2Å; P37-K40 PolarHBondContact O-N 2.81Å; P37-K40 VanDerWaalsContact O-N 3.13Å; K38-K40 VanDerWaalsContact C-N 3.29Å; K38-K40 PolarHBondContact O-N 2.76Å
41E88.8Confident93.1Very high166 Ų16675.7 Ų75.778%0.77637%0.372SS*.Hα-helixtrans-81.4-57.1177.5-67.4178.3177.400110.8K26 P37 K38 M39K26-E41 PolarHBondContact NZ-O 3.44Å; P37-E41 PolarHBondContact O-N 3.26Å; K38-E41 PolarHBondContact O-N 3.06Å; K38-E41 VanDerWaalsContact O-N 3.17Å; M39-E41 VanDerWaalsContact C-N 3.27Å; M39-E41 PolarHBondContact O-N 2.93Å
42E92.3Very high93.2Very high137 Ų13769.2 Ų69.264%0.6434%0.337SS*.Hα-helixtrans-70-33.7-171.5-66.7168.1-157.500114.2K38 D44K38-E42 WeakPolarHBondContact O-CB 3.45Å; K38-E42 WeakPolarHBondContact O-CG 3.31Å; K38-E42 PolarHBondContact O-N 3.47Å; E42-D44 PolarHBondContact O-N 3.37Å
43Y95.5Very high93.3Very high55 Ų5568.9 Ų68.922%0.21633%0.333CS..  trans-73.4127.8-169-78.723.3000112.9K26 M39 Q47 I48 L51K26-Y43 PolarHBondContact NZ-O 3.49Å; M39-Y43 HydrophobicContact CB-CD1 3.93Å; M39-Y43 HydrophobicContact CB-CD2 4.43Å; M39-Y43 HydrophobicContact CB-CE1 3.91Å; M39-Y43 HydrophobicContact CB-CE2 4.42Å; M39-Y43 HydrophobicContact CB-CG 4.2Å; M39-Y43 HydrophobicContact CG-CD1 4.2Å; M39-Y43 HydrophobicContact CG-CE1 3.66Å; M39-Y43 HydrophobicContact CG-CE2 4.44Å; M39-Y43 WeakPolarHBondContact O-CB 3.32Å; M39-Y43 PolarHBondContact O-N 3.19Å; Y43-Q47 VanDerWaalsContact CA-OE1 3.3Å; Y43-Q47 HydrophobicContact CD2-CB 3.96Å; Y43-Q47 HydrophobicContact CE2-CB 4.48Å; Y43-Q47 HydrophobicContact CG-CB 4.14Å; Y43-I48 HydrophobicContact CD2-CD1 4.05Å; Y43-L51 HydrophobicContact CE2-CD2 4.21Å
44D95.1Very high93.3Very high75 Ų7574.7 Ų74.740%0.40136%0.36SS..  trans-81.6179.4173.875.525000113E42 I46 Q47 I48E42-D44 PolarHBondContact O-N 3.37Å; D44-I46 VanDerWaalsContact C-N 3.27Å; D44-I46 PolarHBondContact O-N 3.31Å; D44-I46 WeakPolarHBondContact OD1-CA 3.42Å; D44-I46 VanDerWaalsContact OD1-CB 3.31Å; D44-I46 WeakPolarHBondContact OD1-CB 3.37Å; D44-I46 PolarHBondContact OD1-N 2.69Å; D44-Q47 VanDerWaalsContact N-OE1 3.07Å; D44-Q47 WeakPolarHBondContact OD1-CG 3.34Å; D44-Q47 PolarHBondContact OD1-N 3.33Å; D44-I48 WeakPolarHBondContact O-CG1 3.49Å; D44-I48 PolarHBondContact O-N 3.41Å; D44-I48 VanDerWaalsContact O-N 3.1Å
45K96.1Very high93.4Very high35 Ų3570.8 Ų70.815%0.15234%0.343CS..Hα-helixtrans-63.6-30.8-179.6-65.9170.9169.4-171.50113L10 L14 E15 I17 F22 A49L10-K45 HydrophobicContact CD1-CB 4.27Å; L14-K45 HydrophobicContact CB-CB 4.14Å; L14-K45 HydrophobicContact CB-CG 4.34Å; L14-K45 WeakPolarHBondContact CD1-O 3.15Å; L14-K45 WeakPolarHBondContact O-CD 3.49Å; L14-K45 WeakPolarHBondContact O-CE 3.38Å; L14-K45 PolarHBondContact O-NZ 3.24Å; L14-K45 VanDerWaalsContact O-NZ 3.16Å; E15-K45 PolarHBondContact O-NZ 3.24Å; I17-K45 WeakPolarHBondContact O-CE 3.41Å; I17-K45 PolarHBondContact O-NZ 2.94Å; F22-K45 HydrophobicContact CD1-CG 4.07Å; F22-K45 HydrophobicContact CD2-CG 4.14Å; F22-K45 HydrophobicContact CE1-CG 3.87Å; F22-K45 HydrophobicContact CE2-CB 4.48Å; F22-K45 HydrophobicContact CE2-CG 3.96Å; F22-K45 HydrophobicContact CG-CG 4.21Å; F22-K45 HydrophobicContact CZ-CB 4.3Å; F22-K45 HydrophobicContact CZ-CG 3.83Å; K45-A49 WeakPolarHBondContact O-CB 3.41Å; K45-A49 PolarHBondContact O-N 3.11Å; K45-A49 VanDerWaalsContact O-N 3.16Å
46I95.8Very high93.4Very high87 Ų8772.4 Ų72.445%0.44635%0.35SS..Hα-helixtrans-76.1-49.7-178.5-54.5174.3000109.2L10 D44 I48 A49 D50L10-I46 HydrophobicContact CD1-CG1 4.21Å; L10-I46 HydrophobicContact CD2-CG1 4.4Å; D44-I46 VanDerWaalsContact C-N 3.27Å; D44-I46 PolarHBondContact O-N 3.31Å; D44-I46 WeakPolarHBondContact OD1-CA 3.42Å; D44-I46 VanDerWaalsContact OD1-CB 3.31Å; D44-I46 WeakPolarHBondContact OD1-CB 3.37Å; D44-I46 PolarHBondContact OD1-N 2.69Å; I46-I48 VanDerWaalsContact C-N 3.31Å; I46-I48 PolarHBondContact O-N 2.7Å; I46-A49 CarbonylContact O-C 3.5Å; I46-A49 WeakPolarHBondContact O-CA 3.33Å; I46-A49 WeakPolarHBondContact O-CB 3.33Å; I46-A49 PolarHBondContact O-N 3.36Å; I46-D50 PolarHBondContact O-N 3.02Å
47Q95.9Very high93.3Very high81 Ų8173 Ų7338%0.37936%0.359SS..Hα-helixtrans-61-37.5177.7-67.1175-48.500112.3Y43 D44 L51Y43-Q47 VanDerWaalsContact CA-OE1 3.3Å; Y43-Q47 HydrophobicContact CD2-CB 3.96Å; Y43-Q47 HydrophobicContact CE2-CB 4.48Å; Y43-Q47 HydrophobicContact CG-CB 4.14Å; D44-Q47 VanDerWaalsContact N-OE1 3.07Å; D44-Q47 WeakPolarHBondContact OD1-CG 3.34Å; D44-Q47 PolarHBondContact OD1-N 3.33Å; Q47-L51 WeakPolarHBondContact O-CB 3.28Å; Q47-L51 PolarHBondContact O-N 3.27Å
48I96.1Very high93.3Very high0 Ų071.3 Ų71.30%036%0.36CS..Hα-helixtrans-66.5-41.7171.8-66.7-66.8000111.2L14 F22 K26 L29 L33 L35 Y43 D44 I46 D50 L51 M52L14-I48 HydrophobicContact CD1-CB 4.23Å; L14-I48 HydrophobicContact CD1-CG2 3.85Å; F22-I48 HydrophobicContact CE2-CB 4.28Å; F22-I48 HydrophobicContact CE2-CG1 4.15Å; F22-I48 HydrophobicContact CE2-CG2 4.41Å; F22-I48 HydrophobicContact CZ-CB 4.27Å; F22-I48 HydrophobicContact CZ-CG1 3.81Å; K26-I48 HydrophobicContact CD-CD1 4.13Å; K26-I48 HydrophobicContact CD-CG1 4.03Å; K26-I48 HydrophobicContact CG-CD1 4.13Å; K26-I48 HydrophobicContact CG-CG1 4.09Å; L29-I48 HydrophobicContact CD1-CG2 4.23Å; L33-I48 HydrophobicContact CD1-CD1 4.41Å; L33-I48 HydrophobicContact CD1-CG2 4.23Å; L35-I48 HydrophobicContact CD1-CD1 3.91Å; L35-I48 HydrophobicContact CD2-CD1 4.06Å; Y43-I48 HydrophobicContact CD2-CD1 4.05Å; D44-I48 WeakPolarHBondContact O-CG1 3.49Å; D44-I48 PolarHBondContact O-N 3.41Å; D44-I48 VanDerWaalsContact O-N 3.1Å; I46-I48 VanDerWaalsContact C-N 3.31Å; I46-I48 PolarHBondContact O-N 2.7Å; I48-D50 PolarHBondContact O-N 3.05Å; I48-L51 PolarHBondContact O-N 3.22Å; I48-M52 HydrophobicContact CG2-CG 4.33Å; I48-M52 HydrophobicContact CG2-SD 4.03Å; I48-M52 WeakPolarHBondContact O-CB 3.5Å; I48-M52 VanDerWaalsContact O-CG 3.24Å; I48-M52 WeakPolarHBondContact O-CG 3.36Å; I48-M52 PolarHBondContact O-N 2.85Å
49A96Very high93.4Very high0 Ų065.6 Ų65.60%034%0.337CS..Hα-helixtrans-65.2-37176.300000113.1V9 L10 L14 K45 I46 E53V9-A49 HydrophobicContact CG1-CB 4.32Å; L10-A49 HydrophobicContact CB-CB 3.99Å; L10-A49 HydrophobicContact CD1-CB 4.18Å; L14-A49 HydrophobicContact CD1-CB 4.14Å; K45-A49 WeakPolarHBondContact O-CB 3.41Å; K45-A49 PolarHBondContact O-N 3.11Å; K45-A49 VanDerWaalsContact O-N 3.16Å; I46-A49 CarbonylContact O-C 3.5Å; I46-A49 WeakPolarHBondContact O-CA 3.33Å; I46-A49 WeakPolarHBondContact O-CB 3.33Å; I46-A49 PolarHBondContact O-N 3.36Å; A49-E53 PolarHBondContact O-N 2.87Å; A49-E53 VanDerWaalsContact O-N 3.07Å
50D95.1Very high93.6Very high72 Ų7263 Ų6339%0.38532%0.324SS..Hα-helixtrans-62.6-48.7173.1-70.2-18.6000111K6 I46 I48 M52 E53 E54K6-D50 WeakPolarHBondContact CE-OD1 3.49Å; K6-D50 IonicContact NZ-OD1 2.74Å; K6-D50 PolarHBondContact NZ-OD1 3Å; I46-D50 PolarHBondContact O-N 3.02Å; I48-D50 PolarHBondContact O-N 3.05Å; D50-M52 VanDerWaalsContact C-N 3.33Å; D50-M52 PolarHBondContact O-N 3Å; D50-E53 WeakPolarHBondContact O-CB 3.47Å; D50-E53 PolarHBondContact O-N 3.25Å; D50-E54 PolarHBondContact O-N 3.44Å; D50-E54 VanDerWaalsContact O-N 3.09Å
51L95.3Very high93.9Very high24 Ų2459.6 Ų59.613%0.12631%0.309CS..Hα-helixtrans-66.5-34.2178.9-170.362.6000112.3L33 L35 Y43 Q47 I48 E54 K55L33-L51 HydrophobicContact CB-CD2 3.89Å; L33-L51 HydrophobicContact CB-CG 4.35Å; L33-L51 HydrophobicContact CD1-CD2 4.3Å; L33-L51 HydrophobicContact CD2-CG 4.32Å; L35-L51 HydrophobicContact CD2-CD2 3.57Å; Y43-L51 HydrophobicContact CE2-CD2 4.21Å; Q47-L51 WeakPolarHBondContact O-CB 3.28Å; Q47-L51 PolarHBondContact O-N 3.27Å; I48-L51 PolarHBondContact O-N 3.22Å; L51-E54 PolarHBondContact O-N 3.06Å; L51-K55 HydrophobicContact CD1-CG 4.4Å; L51-K55 HydrophobicContact CG-CG 4.46Å; L51-K55 WeakPolarHBondContact O-CG 3.5Å; L51-K55 PolarHBondContact O-N 3.35Å
52M95.1Very high94.3Very high0 Ų051.7 Ų51.70%027%0.272CS..Hα-helixtrans-66.6-36.9172.7-73.4-179.972.500112.4V9 L29 L33 I48 D50 E54 F56 A60 G61 L65V9-M52 HydrophobicContact CG1-CE 4.23Å; V9-M52 HydrophobicContact CG1-SD 4.04Å; L29-M52 HydrophobicContact CD1-CE 4.33Å; L29-M52 HydrophobicContact CD1-SD 3.72Å; L29-M52 HydrophobicContact CD2-CE 4.18Å; L29-M52 HydrophobicContact CD2-SD 4.4Å; L33-M52 HydrophobicContact CD1-CG 3.76Å; L33-M52 HydrophobicContact CD2-CG 3.97Å; L33-M52 HydrophobicContact CG-CG 4.44Å; I48-M52 HydrophobicContact CG2-CG 4.33Å; I48-M52 HydrophobicContact CG2-SD 4.03Å; I48-M52 WeakPolarHBondContact O-CB 3.5Å; I48-M52 VanDerWaalsContact O-CG 3.24Å; I48-M52 WeakPolarHBondContact O-CG 3.36Å; I48-M52 PolarHBondContact O-N 2.85Å; D50-M52 VanDerWaalsContact C-N 3.33Å; D50-M52 PolarHBondContact O-N 3Å; M52-E54 VanDerWaalsContact C-N 3.34Å; M52-F56 HydrophobicContact CB-CD2 4.36Å; M52-F56 VanDerWaalsContact O-CB 3.31Å; M52-F56 WeakPolarHBondContact O-CB 3.4Å; M52-F56 WeakPolarHBondContact O-CD2 3.47Å; M52-F56 PolarHBondContact O-N 3.33Å; M52-A60 WeakPolarHBondContact CB-O 3.44Å; M52-G61 WeakPolarHBondContact CE-O 3.24Å; M52-L65 HydrophobicContact CE-CB 4.4Å
53E94.9Very high94.4Very high57 Ų5746.4 Ų46.427%0.26626%0.255SS..Hα-helixtrans-63.3-39.9171.5178177.9-122.600111.8N3 K6 A49 D50 A60N3-E53 WeakPolarHBondContact CB-OE1 3.38Å; K6-E53 HydrophobicContact CD-CB 3.92Å; K6-E53 HydrophobicContact CD-CG 4.17Å; K6-E53 WeakPolarHBondContact CD-OE1 3.24Å; K6-E53 WeakPolarHBondContact CD-OE2 3.48Å; K6-E53 WeakPolarHBondContact CE-OE2 3.42Å; K6-E53 IonicContact NZ-OE2 2.65Å; K6-E53 PolarHBondContact NZ-OE2 3.41Å; A49-E53 PolarHBondContact O-N 2.87Å; A49-E53 VanDerWaalsContact O-N 3.07Å; D50-E53 WeakPolarHBondContact O-CB 3.47Å; D50-E53 PolarHBondContact O-N 3.25Å; E53-A60 HydrophobicContact CB-CB 4.26Å
54E93.3Very high94.4Very high126 Ų12647 Ų4759%0.58926%0.259SS*.Hα-helixtrans-67.3-46.7178-162.7-151.8123.900112.6D50 L51 M52D50-E54 PolarHBondContact O-N 3.44Å; D50-E54 VanDerWaalsContact O-N 3.09Å; L51-E54 PolarHBondContact O-N 3.06Å; M52-E54 VanDerWaalsContact C-N 3.34Å
55K94.3Very high94.4Very high87 Ų8743.4 Ų43.438%0.37824%0.24SC..Hα-helixtrans-79.6-24.1-177.1-59.1-42.3-179.3-158.40113.8L33 L51 P57L33-K55 HydrophobicContact CD2-CB 3.89Å; L33-K55 HydrophobicContact CD2-CG 3.78Å; L51-K55 HydrophobicContact CD1-CG 4.4Å; L51-K55 HydrophobicContact CG-CG 4.46Å; L51-K55 WeakPolarHBondContact O-CG 3.5Å; L51-K55 PolarHBondContact O-N 3.35Å; K55-P57 WeakPolarHBondContact O-CD 3.48Å
56F93.6Very high94.5Very high44 Ų4442.3 Ų42.319%0.19324%0.235CC..  trans-125.670.2-176.7-56.8-71000111.8L29 D32 L33 M52 G58 D59 A60 K64L29-F56 HydrophobicContact CD2-CE2 4.49Å; D32-F56 HydrophobicContact CB-CE2 4.48Å; D32-F56 HydrophobicContact CB-CZ 3.81Å; L33-F56 HydrophobicContact CD2-CD2 4.35Å; L33-F56 HydrophobicContact CD2-CE2 3.82Å; M52-F56 HydrophobicContact CB-CD2 4.36Å; M52-F56 VanDerWaalsContact O-CB 3.31Å; M52-F56 WeakPolarHBondContact O-CB 3.4Å; M52-F56 WeakPolarHBondContact O-CD2 3.47Å; M52-F56 PolarHBondContact O-N 3.33Å; F56-G58 PolarHBondContact O-N 3.34Å; F56-D59 PolarHBondContact O-N 2.91Å; F56-A60 VanDerWaalsContact O-CA 3.22Å; F56-A60 WeakPolarHBondContact O-CA 3.34Å; F56-A60 PolarHBondContact O-N 2.73Å; F56-K64 HydrophobicContact CE1-CG 4.25Å; F56-K64 HydrophobicContact CZ-CG 4.05Å
57P89Confident94.5Very high107 Ų10742.4 Ų42.470%0.69523%0.234SC*.THydrogen-bonded Turntrans-62.2-20.2-171.323.7-35.1000114.8K55K55-P57 WeakPolarHBondContact O-CD 3.48Å
58G89.3Confident94.4Very high65 Ų6539.4 Ų39.467%0.6722%0.219SC*.THydrogen-bonded Turntrans-73.3-46.9-179.300000114.6F56F56-G58 PolarHBondContact O-N 3.34Å
59D93.2Very high94.4Very high32 Ų3239.4 Ų39.417%0.17122%0.219CC..THydrogen-bonded Turntrans-138.219.3-176.481.4-17.7000114.4Y5 F56 G61 L62 G63 K86Y5-D59 WeakPolarHBondContact CB-O 3.34Å; Y5-D59 HydrophobicContact CD2-CB 4.24Å; Y5-D59 HydrophobicContact CE2-CB 4.46Å; Y5-D59 HydrophobicContact CG-CB 4.31Å; F56-D59 PolarHBondContact O-N 2.91Å; D59-G61 PolarHBondContact O-N 3.31Å; D59-G61 VanDerWaalsContact O-N 3.09Å; D59-G61 WeakPolarHBondContact OD1-CA 3.48Å; D59-G61 PolarHBondContact OD1-N 3.19Å; D59-L62 WeakPolarHBondContact O-CB 3.47Å; D59-L62 PolarHBondContact O-N 3.18Å; D59-L62 PolarHBondContact OD1-N 3.31Å; D59-G63 WeakPolarHBondContact OD2-CA 3.48Å; D59-G63 PolarHBondContact OD2-N 3.02Å; D59-K86 IonicContact OD2-NZ 2.69Å; D59-K86 PolarHBondContact OD2-NZ 2.94Å
60A94Very high94.4Very high0 Ų045 Ų450%024%0.244CC..THydrogen-bonded Turntrans51.327.2-174.300000113.9K6 M52 E53 F56 L62K6-A60 HydrophobicContact CB-CB 4.06Å; M52-A60 WeakPolarHBondContact CB-O 3.44Å; E53-A60 HydrophobicContact CB-CB 4.26Å; F56-A60 VanDerWaalsContact O-CA 3.22Å; F56-A60 WeakPolarHBondContact O-CA 3.34Å; F56-A60 PolarHBondContact O-N 2.73Å; A60-L62 VanDerWaalsContact C-N 3.26Å; A60-L62 PolarHBondContact O-N 2.9Å
61G94.1Very high94.3Very high1 Ų147.9 Ų47.91%0.0126%0.255CS..THydrogen-bonded Turntrans76.811.5179.800000113.4M52 D59 G63 K64 L65M52-G61 WeakPolarHBondContact CE-O 3.24Å; D59-G61 PolarHBondContact O-N 3.31Å; D59-G61 VanDerWaalsContact O-N 3.09Å; D59-G61 WeakPolarHBondContact OD1-CA 3.48Å; D59-G61 PolarHBondContact OD1-N 3.19Å; G61-G63 PolarHBondContact O-N 2.87Å; G61-K64 WeakPolarHBondContact O-CB 3.42Å; G61-K64 PolarHBondContact O-N 3.37Å; G61-K64 VanDerWaalsContact O-N 3.08Å; G61-L65 PolarHBondContact O-N 3.5Å
62L95.8Very high94.1Very high0 Ų047.6 Ų47.60%025%0.253CS..Hα-helixtrans-58-37.1178.8-179.157.4000111.9Y5 I8 V9 D59 A60 L65 I66 L82 K86Y5-L62 HydrophobicContact CD1-CD2 3.69Å; Y5-L62 HydrophobicContact CE1-CD2 4.42Å; I8-L62 HydrophobicContact CB-CD2 4.33Å; I8-L62 HydrophobicContact CD1-CD2 4.42Å; I8-L62 HydrophobicContact CG2-CD1 3.78Å; I8-L62 HydrophobicContact CG2-CD2 3.94Å; V9-L62 HydrophobicContact CG2-CB 3.79Å; V9-L62 HydrophobicContact CG2-CD1 3.98Å; V9-L62 HydrophobicContact CG2-CG 4.45Å; D59-L62 WeakPolarHBondContact O-CB 3.47Å; D59-L62 PolarHBondContact O-N 3.18Å; D59-L62 PolarHBondContact OD1-N 3.31Å; A60-L62 VanDerWaalsContact C-N 3.26Å; A60-L62 PolarHBondContact O-N 2.9Å; L62-L65 PolarHBondContact O-N 2.92Å; L62-I66 HydrophobicContact CD1-CD1 4.19Å; L62-I66 HydrophobicContact CD1-CG1 4.41Å; L62-I66 HydrophobicContact CG-CD1 4Å; L62-I66 WeakPolarHBondContact O-CD1 3.36Å; L62-I66 VanDerWaalsContact O-CG1 3.24Å; L62-I66 WeakPolarHBondContact O-CG1 2.89Å; L62-I66 PolarHBondContact O-N 2.62Å; L62-L82 HydrophobicContact CD1-CB 4.11Å; L62-L82 HydrophobicContact CD1-CD1 4.4Å; L62-L82 HydrophobicContact CD1-CD2 3.9Å; L62-L82 HydrophobicContact CD1-CG 4.38Å; L62-K86 HydrophobicContact CD2-CB 3.75Å; L62-K86 HydrophobicContact CD2-CD 4.18Å; L62-K86 HydrophobicContact CD2-CG 4.03Å; L62-K86 HydrophobicContact CG-CB 4.49Å; L62-K86 HydrophobicContact CG-CD 4.31Å
63G95.4Very high93.9Very high27 Ų2753.6 Ų53.628%0.27829%0.292SS..Hα-helixtrans-60.6-45.3173.900000112.9D59 G61 I66 E67D59-G63 WeakPolarHBondContact OD2-CA 3.48Å; D59-G63 PolarHBondContact OD2-N 3.02Å; G61-G63 PolarHBondContact O-N 2.87Å; G63-I66 PolarHBondContact O-N 2.84Å; G63-E67 PolarHBondContact O-N 3Å
64K95Very high93.7Very high67 Ų6755.6 Ų55.629%0.29131%0.308SS..Hα-helixtrans-64.5-41.3176-82.9-76.6168.7-1580112.1F56 G61 I66 E67 F68F56-K64 HydrophobicContact CE1-CG 4.25Å; F56-K64 HydrophobicContact CZ-CG 4.05Å; G61-K64 WeakPolarHBondContact O-CB 3.42Å; G61-K64 PolarHBondContact O-N 3.37Å; G61-K64 VanDerWaalsContact O-N 3.08Å; K64-I66 VanDerWaalsContact C-N 3.33Å; K64-I66 PolarHBondContact O-N 3.36Å; K64-E67 WeakPolarHBondContact CD-OE2 3.48Å; K64-E67 WeakPolarHBondContact CE-OE2 3.4Å; K64-E67 IonicContact NZ-OE2 2.7Å; K64-E67 PolarHBondContact NZ-OE2 3.29Å; K64-E67 WeakPolarHBondContact O-CB 3.42Å; K64-E67 PolarHBondContact O-N 2.96Å; K64-E67 VanDerWaalsContact O-N 3.17Å; K64-F68 HydrophobicContact CB-CE2 4.26Å; K64-F68 HydrophobicContact CD-CE2 4.28Å; K64-F68 HydrophobicContact CD-CZ 4.04Å; K64-F68 VanDerWaalsContact O-CD2 3.23Å; K64-F68 WeakPolarHBondContact O-CD2 3.33Å; K64-F68 WeakPolarHBondContact O-CG 3.29Å; K64-F68 PolarHBondContact O-N 3.12Å
65L95.8Very high93.8Very high0 Ų050 Ų500%028%0.283CS..Hα-helixtrans-63.3-39.6176.7-163.966.1000112.2V9 L14 V25 M52 G61 L62 E67 F69 L82V9-L65 HydrophobicContact CG1-CD2 4.25Å; L14-L65 HydrophobicContact CD2-CD1 3.96Å; L14-L65 HydrophobicContact CD2-CD2 4.43Å; V25-L65 HydrophobicContact CG1-CD1 3.88Å; M52-L65 HydrophobicContact CE-CB 4.4Å; G61-L65 PolarHBondContact O-N 3.5Å; L62-L65 PolarHBondContact O-N 2.92Å; L65-E67 VanDerWaalsContact C-N 3.33Å; L65-F69 HydrophobicContact CD1-CD1 4.07Å; L65-F69 HydrophobicContact CD1-CE1 3.39Å; L65-F69 HydrophobicContact CD1-CE2 4.49Å; L65-F69 HydrophobicContact CD1-CZ 3.65Å; L65-F69 HydrophobicContact CD2-CE2 4.32Å; L65-F69 HydrophobicContact CD2-CZ 4.06Å; L65-F69 HydrophobicContact CG-CD1 4.24Å; L65-F69 HydrophobicContact CG-CE1 3.8Å; L65-F69 HydrophobicContact CG-CE2 4.11Å; L65-F69 HydrophobicContact CG-CZ 3.74Å; L65-F69 VanDerWaalsContact O-CB 3.32Å; L65-F69 WeakPolarHBondContact O-CB 3.42Å; L65-F69 WeakPolarHBondContact O-CD1 3.38Å; L65-F69 VanDerWaalsContact O-CG 3.29Å; L65-F69 WeakPolarHBondContact O-CG 3.49Å; L65-F69 PolarHBondContact O-N 3.33Å; L65-L82 HydrophobicContact CD2-CD1 3.95Å; L65-L82 HydrophobicContact CG-CD1 4.15Å
66I96.8Very high93.8Very high12 Ų1247.3 Ų47.36%0.06228%0.279CS..Hα-helixtrans-65.1-35.4174.1-69.3161.5000111.8L62 G63 K64 K70 L82 K83 K86L62-I66 HydrophobicContact CD1-CD1 4.19Å; L62-I66 HydrophobicContact CD1-CG1 4.41Å; L62-I66 HydrophobicContact CG-CD1 4Å; L62-I66 WeakPolarHBondContact O-CD1 3.36Å; L62-I66 VanDerWaalsContact O-CG1 3.24Å; L62-I66 WeakPolarHBondContact O-CG1 2.89Å; L62-I66 PolarHBondContact O-N 2.62Å; G63-I66 PolarHBondContact O-N 2.84Å; K64-I66 VanDerWaalsContact C-N 3.33Å; K64-I66 PolarHBondContact O-N 3.36Å; I66-K70 WeakPolarHBondContact O-CG 3.48Å; I66-K70 PolarHBondContact O-N 3.47Å; I66-L82 HydrophobicContact CD1-CB 4.02Å; I66-L82 HydrophobicContact CG1-CB 3.55Å; I66-L82 HydrophobicContact CG1-CD1 4.3Å; I66-K83 HydrophobicContact CD1-CB 4.3Å; I66-K86 HydrophobicContact CD1-CD 4.21Å
67E96.2Very high93.9Very high89 Ų8952.1 Ų52.142%0.41631%0.307SS..Hα-helixtrans-62.7-57.6175.5-170.8171-140.400110.2G63 K64 L65 F69 K70G63-E67 PolarHBondContact O-N 3Å; K64-E67 WeakPolarHBondContact CD-OE2 3.48Å; K64-E67 WeakPolarHBondContact CE-OE2 3.4Å; K64-E67 IonicContact NZ-OE2 2.7Å; K64-E67 PolarHBondContact NZ-OE2 3.29Å; K64-E67 WeakPolarHBondContact O-CB 3.42Å; K64-E67 PolarHBondContact O-N 2.96Å; K64-E67 VanDerWaalsContact O-N 3.17Å; L65-E67 VanDerWaalsContact C-N 3.33Å; E67-F69 VanDerWaalsContact C-N 3.34Å; E67-F69 PolarHBondContact O-N 3.21Å; E67-K70 WeakPolarHBondContact O-CB 3.44Å; E67-K70 PolarHBondContact O-N 3.17Å; E67-K70 VanDerWaalsContact O-N 3.11Å
68F94.8Very high94.2Very high18 Ų1848.3 Ų48.38%0.07928%0.28CS..Hα-helixtrans-62-36179.8-57.9-41.3000113.9L28 L29 K64 K70 E71 I72L28-F68 HydrophobicContact CB-CD1 4.1Å; L28-F68 HydrophobicContact CB-CD2 4.23Å; L28-F68 HydrophobicContact CB-CE1 4.08Å; L28-F68 HydrophobicContact CB-CE2 4.22Å; L28-F68 HydrophobicContact CB-CG 4.18Å; L28-F68 HydrophobicContact CB-CZ 4.14Å; L28-F68 HydrophobicContact CD1-CB 3.9Å; L28-F68 HydrophobicContact CD1-CD1 3.93Å; L28-F68 HydrophobicContact CD1-CG 3.92Å; L28-F68 HydrophobicContact CG-CD1 4.47Å; L29-F68 HydrophobicContact CD2-CD2 4.47Å; L29-F68 HydrophobicContact CD2-CE2 3.75Å; L29-F68 HydrophobicContact CG-CD2 4.39Å; L29-F68 HydrophobicContact CG-CE2 3.92Å; K64-F68 HydrophobicContact CB-CE2 4.26Å; K64-F68 HydrophobicContact CD-CE2 4.28Å; K64-F68 HydrophobicContact CD-CZ 4.04Å; K64-F68 VanDerWaalsContact O-CD2 3.23Å; K64-F68 WeakPolarHBondContact O-CD2 3.33Å; K64-F68 WeakPolarHBondContact O-CG 3.29Å; K64-F68 PolarHBondContact O-N 3.12Å; F68-K70 PolarHBondContact O-N 3.37Å; F68-E71 PolarHBondContact O-N 3.47Å; F68-I72 WeakPolarHBondContact O-CG1 3.46Å; F68-I72 PolarHBondContact O-N 3.34Å
69F95.8Very high94.5Very high0 Ų045.2 Ų45.20%025%0.249CC..Hα-helixtrans-70.2-18178.8-77.717.4000113.4I17 V25 L65 E67 L75 G76 L78 A79 L82I17-F69 HydrophobicContact CD1-CE1 4.32Å; I17-F69 HydrophobicContact CD1-CZ 4.12Å; I17-F69 HydrophobicContact CG2-CE2 4.3Å; I17-F69 HydrophobicContact CG2-CZ 3.95Å; V25-F69 HydrophobicContact CG2-CD1 4.33Å; V25-F69 HydrophobicContact CG2-CE1 3.71Å; L65-F69 HydrophobicContact CD1-CD1 4.07Å; L65-F69 HydrophobicContact CD1-CE1 3.39Å; L65-F69 HydrophobicContact CD1-CE2 4.49Å; L65-F69 HydrophobicContact CD1-CZ 3.65Å; L65-F69 HydrophobicContact CD2-CE2 4.32Å; L65-F69 HydrophobicContact CD2-CZ 4.06Å; L65-F69 HydrophobicContact CG-CD1 4.24Å; L65-F69 HydrophobicContact CG-CE1 3.8Å; L65-F69 HydrophobicContact CG-CE2 4.11Å; L65-F69 HydrophobicContact CG-CZ 3.74Å; L65-F69 VanDerWaalsContact O-CB 3.32Å; L65-F69 WeakPolarHBondContact O-CB 3.42Å; L65-F69 WeakPolarHBondContact O-CD1 3.38Å; L65-F69 VanDerWaalsContact O-CG 3.29Å; L65-F69 WeakPolarHBondContact O-CG 3.49Å; L65-F69 PolarHBondContact O-N 3.33Å; E67-F69 VanDerWaalsContact C-N 3.34Å; E67-F69 PolarHBondContact O-N 3.21Å; F69-L75 HydrophobicContact CB-CB 4.01Å; F69-L75 HydrophobicContact CD1-CD1 3.71Å; F69-L75 HydrophobicContact CD2-CB 4.42Å; F69-L75 HydrophobicContact CE1-CD1 3.9Å; F69-L75 HydrophobicContact CG-CB 4.08Å; F69-L75 HydrophobicContact CG-CD1 4.06Å; F69-L75 HydrophobicContact CZ-CD1 4.4Å; F69-L75 CarbonylContact O-C 3.5Å; F69-G76 PolarHBondContact O-N 3.06Å; F69-L78 HydrophobicContact CD2-CB 4Å; F69-L78 HydrophobicContact CD2-CD2 3.85Å; F69-L78 HydrophobicContact CD2-CG 3.81Å; F69-L78 HydrophobicContact CE2-CB 4.37Å; F69-L78 HydrophobicContact CE2-CD2 3.38Å; F69-L78 HydrophobicContact CE2-CG 3.71Å; F69-L78 HydrophobicContact CZ-CD2 4.25Å; F69-A79 HydrophobicContact CB-CB 3.69Å; F69-L82 HydrophobicContact CD2-CD1 3.59Å; F69-L82 HydrophobicContact CE2-CD1 3.62Å
70K95Very high94.6Very high118 Ų11847 Ų4751%0.51326%0.256SS..Hα-helixtrans-79.7-32.5171.4-71.2168.2-178.1176.30112.7I66 E67 F68 I72 A79I66-K70 WeakPolarHBondContact O-CG 3.48Å; I66-K70 PolarHBondContact O-N 3.47Å; E67-K70 WeakPolarHBondContact O-CB 3.44Å; E67-K70 PolarHBondContact O-N 3.17Å; E67-K70 VanDerWaalsContact O-N 3.11Å; F68-K70 PolarHBondContact O-N 3.37Å; K70-I72 VanDerWaalsContact C-N 3.3Å; K70-A79 HydrophobicContact CG-CB 3.71Å
71E93.1Very high94.7Very high131 Ų13149.1 Ų49.161%0.61227%0.269SS*.Hα-helixtrans-74-24.4178.6-65178.5-178.100112F68 P73F68-E71 PolarHBondContact O-N 3.47Å; E71-P73 WeakPolarHBondContact O-CD 3.37Å
72I91.8Very high94.8Very high18 Ų1849 Ų499%0.09227%0.268CS..SBendtrans-91109.9176.6-61.2165.6000109I24 V25 L28 F68 K70 T74 L75I24-I72 HydrophobicContact CG2-CD1 3.84Å; I24-I72 HydrophobicContact CG2-CG1 4.42Å; V25-I72 HydrophobicContact CG2-CD1 4.29Å; L28-I72 HydrophobicContact CD1-CD1 4.4Å; F68-I72 WeakPolarHBondContact O-CG1 3.46Å; F68-I72 PolarHBondContact O-N 3.34Å; K70-I72 VanDerWaalsContact C-N 3.3Å; I72-T74 WeakPolarHBondContact CG2-OG1 3.23Å; I72-T74 PolarHBondContact O-N 3.25Å; I72-T74 VanDerWaalsContact O-N 3.08Å; I72-L75 HydrophobicContact CB-CB 4.25Å; I72-L75 HydrophobicContact CB-CD1 4.12Å; I72-L75 HydrophobicContact CB-CG 4.25Å; I72-L75 HydrophobicContact CD1-CD1 3.9Å; I72-L75 HydrophobicContact CG2-CB 4.2Å; I72-L75 HydrophobicContact CG2-CD1 3.84Å; I72-L75 HydrophobicContact CG2-CG 3.75Å; I72-L75 PolarHBondContact O-N 3.19Å
73P89.9Confident94.9Very high126 Ų12653.1 Ų53.182%0.81829%0.286SS*.G310 helixtrans-59.4-30-171-2736000114.8E71 L75E71-P73 WeakPolarHBondContact O-CD 3.37Å; P73-L75 VanDerWaalsContact C-N 3.26Å; P73-L75 PolarHBondContact O-N 3.44Å
74T92.5Very high94.9Very high99 Ų9958 Ų5861%0.60730%0.296SS*.G310 helixtrans-75.8-8178.250.40000114.1H21 I72H21-T74 PolarHBondContact CE1-OG1 3.1Å; H21-T74 VanDerWaalsContact CE1-OG1 3.28Å; H21-T74 PolarHBondContact NE2-OG1 3.19Å; I72-T74 WeakPolarHBondContact CG2-OG1 3.23Å; I72-T74 PolarHBondContact O-N 3.25Å; I72-T74 VanDerWaalsContact O-N 3.08Å
75L94.6Very high94.8Very high10 Ų1056.2 Ų56.25%0.05229%0.289CS..G310 helixtrans-118.44.5-174.8-60.7-177000114.2I17 H21 F69 I72 P73 D77 L78 A79I17-L75 HydrophobicContact CG2-CD1 4.08Å; I17-L75 HydrophobicContact CG2-CD2 3.62Å; H21-L75 HydrophobicContact CB-CD1 4.25Å; F69-L75 HydrophobicContact CB-CB 4.01Å; F69-L75 HydrophobicContact CD1-CD1 3.71Å; F69-L75 HydrophobicContact CD2-CB 4.42Å; F69-L75 HydrophobicContact CE1-CD1 3.9Å; F69-L75 HydrophobicContact CG-CB 4.08Å; F69-L75 HydrophobicContact CG-CD1 4.06Å; F69-L75 HydrophobicContact CZ-CD1 4.4Å; F69-L75 CarbonylContact O-C 3.5Å; I72-L75 HydrophobicContact CB-CB 4.25Å; I72-L75 HydrophobicContact CB-CD1 4.12Å; I72-L75 HydrophobicContact CB-CG 4.25Å; I72-L75 HydrophobicContact CD1-CD1 3.9Å; I72-L75 HydrophobicContact CG2-CB 4.2Å; I72-L75 HydrophobicContact CG2-CD1 3.84Å; I72-L75 HydrophobicContact CG2-CG 3.75Å; I72-L75 PolarHBondContact O-N 3.19Å; P73-L75 VanDerWaalsContact C-N 3.26Å; P73-L75 PolarHBondContact O-N 3.44Å; L75-D77 VanDerWaalsContact C-N 3.34Å; L75-D77 PolarHBondContact O-N 3.17Å; L75-L78 HydrophobicContact CD2-CD2 4.25Å; L75-L78 WeakPolarHBondContact O-CA 3.19Å; L75-L78 VanDerWaalsContact O-CB 3.31Å; L75-L78 WeakPolarHBondContact O-CB 3.22Å; L75-L78 PolarHBondContact O-N 2.95Å; L75-A79 PolarHBondContact O-N 2.8Å
76G94.1Very high94.7Very high29 Ų2959.4 Ų59.430%0.29930%0.302SS..Hα-helixtrans-55.5-43.1-178.200000114.2F69 L78 A79 E80F69-G76 PolarHBondContact O-N 3.06Å; G76-L78 VanDerWaalsContact C-N 3.25Å; G76-L78 PolarHBondContact O-N 3.08Å; G76-A79 WeakPolarHBondContact O-CB 3.46Å; G76-A79 PolarHBondContact O-N 2.74Å; G76-E80 PolarHBondContact O-N 3.06Å; G76-E80 VanDerWaalsContact O-N 3.08Å
77D94.7Very high94.5Very high146 Ų14663.7 Ų63.778%0.78133%0.325SS*.Hα-helixtrans-64.4-30.9175.9-70-33000112.9L75 T81L75-D77 VanDerWaalsContact C-N 3.34Å; L75-D77 PolarHBondContact O-N 3.17Å; D77-T81 WeakPolarHBondContact O-CB 3.47Å; D77-T81 PolarHBondContact O-N 3.42Å; D77-T81 PolarHBondContact O-OG1 3.4Å
78L95.3Very high94.3Very high26 Ų2664.8 Ų64.814%0.13633%0.328CS..Hα-helixtrans-74.4-40.2176.6-163.258.4000110.6K12 V16 I17 F69 L75 G76 E80 T81 L82K12-L78 VanDerWaalsContact O-CD1 3.3Å; K12-L78 WeakPolarHBondContact O-CD1 3.47Å; V16-L78 HydrophobicContact CB-CD1 4.44Å; V16-L78 HydrophobicContact CB-CD2 4.3Å; V16-L78 HydrophobicContact CG1-CD1 4.18Å; V16-L78 HydrophobicContact CG1-CD2 4.35Å; I17-L78 HydrophobicContact CG2-CD2 3.57Å; F69-L78 HydrophobicContact CD2-CB 4Å; F69-L78 HydrophobicContact CD2-CD2 3.85Å; F69-L78 HydrophobicContact CD2-CG 3.81Å; F69-L78 HydrophobicContact CE2-CB 4.37Å; F69-L78 HydrophobicContact CE2-CD2 3.38Å; F69-L78 HydrophobicContact CE2-CG 3.71Å; F69-L78 HydrophobicContact CZ-CD2 4.25Å; L75-L78 HydrophobicContact CD2-CD2 4.25Å; L75-L78 WeakPolarHBondContact O-CA 3.19Å; L75-L78 VanDerWaalsContact O-CB 3.31Å; L75-L78 WeakPolarHBondContact O-CB 3.22Å; L75-L78 PolarHBondContact O-N 2.95Å; G76-L78 VanDerWaalsContact C-N 3.25Å; G76-L78 PolarHBondContact O-N 3.08Å; L78-E80 PolarHBondContact O-N 3.33Å; L78-T81 WeakPolarHBondContact O-CB 3.31Å; L78-T81 PolarHBondContact O-N 3.34Å; L78-L82 WeakPolarHBondContact O-CB 3.43Å; L78-L82 WeakPolarHBondContact O-CG 3.38Å; L78-L82 PolarHBondContact O-N 3.28Å
79A96.1Very high94Very high0 Ų064.6 Ų64.60%033%0.329CS..Hα-helixtrans-56.5-47.9170.700000112.5F69 K70 L75 G76 T81 L82 K83F69-A79 HydrophobicContact CB-CB 3.69Å; K70-A79 HydrophobicContact CG-CB 3.71Å; L75-A79 PolarHBondContact O-N 2.8Å; G76-A79 WeakPolarHBondContact O-CB 3.46Å; G76-A79 PolarHBondContact O-N 2.74Å; A79-T81 VanDerWaalsContact C-N 3.32Å; A79-T81 PolarHBondContact O-N 3.46Å; A79-L82 PolarHBondContact O-N 2.95Å; A79-K83 WeakPolarHBondContact O-CB 3.45Å; A79-K83 PolarHBondContact O-N 3.28Å
80E96.6Very high93.5Very high70 Ų7065.9 Ų65.933%0.32734%0.34SS..Hα-helixtrans-68.6-31177-74.1-61.6127.500112.2G76 L78 K83 R84G76-E80 PolarHBondContact O-N 3.06Å; G76-E80 VanDerWaalsContact O-N 3.08Å; L78-E80 PolarHBondContact O-N 3.33Å; E80-K83 VanDerWaalsContact OE1-CD 3.28Å; E80-K83 WeakPolarHBondContact OE1-CD 3.22Å; E80-K83 IonicContact OE1-NZ 2.7Å; E80-K83 PolarHBondContact OE1-NZ 3.01Å; E80-K83 WeakPolarHBondContact OE2-CD 3.44Å; E80-K83 IonicContact OE2-NZ 3.27Å; E80-K83 PolarHBondContact OE2-NZ 3.09Å; E80-R84 WeakPolarHBondContact O-CG 3.45Å; E80-R84 PolarHBondContact O-N 3.44Å
81T95.9Very high93Very high44 Ų4465 Ų6527%0.2734%0.34SS..Hα-helixtrans-64.2-48.6171-62.20000112.2D77 L78 A79 K83 R84 E85D77-T81 WeakPolarHBondContact O-CB 3.47Å; D77-T81 PolarHBondContact O-N 3.42Å; D77-T81 PolarHBondContact O-OG1 3.4Å; L78-T81 WeakPolarHBondContact O-CB 3.31Å; L78-T81 PolarHBondContact O-N 3.34Å; A79-T81 VanDerWaalsContact C-N 3.32Å; A79-T81 PolarHBondContact O-N 3.46Å; T81-K83 VanDerWaalsContact C-N 3.33Å; T81-K83 PolarHBondContact O-N 3.3Å; T81-R84 PolarHBondContact O-N 3.32Å; T81-R84 PolarHBondContact OG1-NH2 3.29Å; T81-E85 WeakPolarHBondContact O-CG 3.08Å; T81-E85 PolarHBondContact O-N 3.28Å
82L96.1Very high92.3Very high0 Ų065.7 Ų65.70%034%0.341CS..Hα-helixtrans-61.5-39.9176.8-72.7177.1000112.1I8 K12 L62 L65 I66 F69 L78 A79 E85 K86I8-L82 HydrophobicContact CG2-CD2 3.58Å; K12-L82 HydrophobicContact CB-CD2 3.97Å; K12-L82 WeakPolarHBondContact O-CD2 3.41Å; L62-L82 HydrophobicContact CD1-CB 4.11Å; L62-L82 HydrophobicContact CD1-CD1 4.4Å; L62-L82 HydrophobicContact CD1-CD2 3.9Å; L62-L82 HydrophobicContact CD1-CG 4.38Å; L65-L82 HydrophobicContact CD2-CD1 3.95Å; L65-L82 HydrophobicContact CG-CD1 4.15Å; I66-L82 HydrophobicContact CD1-CB 4.02Å; I66-L82 HydrophobicContact CG1-CB 3.55Å; I66-L82 HydrophobicContact CG1-CD1 4.3Å; F69-L82 HydrophobicContact CD2-CD1 3.59Å; F69-L82 HydrophobicContact CE2-CD1 3.62Å; L78-L82 WeakPolarHBondContact O-CB 3.43Å; L78-L82 WeakPolarHBondContact O-CG 3.38Å; L78-L82 PolarHBondContact O-N 3.28Å; A79-L82 PolarHBondContact O-N 2.95Å; L82-E85 PolarHBondContact O-N 2.9Å; L82-K86 PolarHBondContact O-N 3.04Å
83K96.7Very high91Very high85 Ų8569.1 Ų69.137%0.3736%0.359SS..Hα-helixtrans-61.6-43.7174.7-178.4-173174.1-162.20112.3I66 A79 E80 T81 E85 K86 L87I66-K83 HydrophobicContact CD1-CB 4.3Å; A79-K83 WeakPolarHBondContact O-CB 3.45Å; A79-K83 PolarHBondContact O-N 3.28Å; E80-K83 VanDerWaalsContact OE1-CD 3.28Å; E80-K83 WeakPolarHBondContact OE1-CD 3.22Å; E80-K83 IonicContact OE1-NZ 2.7Å; E80-K83 PolarHBondContact OE1-NZ 3.01Å; E80-K83 WeakPolarHBondContact OE2-CD 3.44Å; E80-K83 IonicContact OE2-NZ 3.27Å; E80-K83 PolarHBondContact OE2-NZ 3.09Å; T81-K83 VanDerWaalsContact C-N 3.33Å; T81-K83 PolarHBondContact O-N 3.3Å; K83-E85 VanDerWaalsContact C-N 3.33Å; K83-E85 PolarHBondContact O-N 3.07Å; K83-K86 PolarHBondContact O-N 3.2Å; K83-L87 WeakPolarHBondContact O-CG 3.43Å; K83-L87 PolarHBondContact O-N 2.98Å; K83-L87 VanDerWaalsContact O-N 3.17Å
84R95.7Very high89.6Confident130 Ų13070.6 Ų70.649%0.49136%0.355SS..Hα-helixtrans-60.7-40.9172.6-72.4-177.9-66.2-108.26.6111.9E80 T81 L87 K88E80-R84 WeakPolarHBondContact O-CG 3.45Å; E80-R84 PolarHBondContact O-N 3.44Å; T81-R84 PolarHBondContact O-N 3.32Å; T81-R84 PolarHBondContact OG1-NH2 3.29Å; R84-L87 PolarHBondContact O-N 3.04Å; R84-K88 WeakPolarHBondContact O-CG 3.22Å; R84-K88 PolarHBondContact O-N 2.88Å; R84-K88 VanDerWaalsContact O-N 3.12Å
85E94.1Very high87.8Confident29 Ų2969.9 Ų69.914%0.13635%0.354CS..Hα-helixtrans-69.5-37.8178.2-66.3-69.7131.200112.6I8 K12 T81 L82 K83 L87 K88 V89I8-E85 HydrophobicContact CD1-CB 3.93Å; I8-E85 HydrophobicContact CG1-CB 4.26Å; I8-E85 HydrophobicContact CG2-CB 3.94Å; K12-E85 HydrophobicContact CD-CG 3.81Å; K12-E85 IonicContact NZ-OE1 2.62Å; K12-E85 PolarHBondContact NZ-OE1 3.39Å; K12-E85 IonicContact NZ-OE2 2.76Å; K12-E85 PolarHBondContact NZ-OE2 2.88Å; T81-E85 WeakPolarHBondContact O-CG 3.08Å; T81-E85 PolarHBondContact O-N 3.28Å; L82-E85 PolarHBondContact O-N 2.9Å; K83-E85 VanDerWaalsContact C-N 3.33Å; K83-E85 PolarHBondContact O-N 3.07Å; E85-L87 VanDerWaalsContact C-N 3.34Å; E85-L87 PolarHBondContact O-N 3.32Å; E85-K88 WeakPolarHBondContact O-CB 3.49Å; E85-K88 PolarHBondContact O-N 3.44Å; E85-K88 WeakPolarHBondContact OE1-CD 3.43Å; E85-K88 WeakPolarHBondContact OE1-CE 3.31Å; E85-K88 IonicContact OE1-NZ 2.81Å; E85-K88 PolarHBondContact OE1-NZ 2.75Å; E85-V89 PolarHBondContact O-N 3.29Å; E85-V89 VanDerWaalsContact O-N 3.1Å
86K92.8Very high85.9Confident67 Ų6774.7 Ų74.729%0.29138%0.378SS..Hα-helixtrans-57-45.9172.6-173166176.4168.60111.5Y5 D59 L62 I66 L82 K83 V89 A90Y5-K86 HydrophobicContact CE1-CG 4.12Å; D59-K86 IonicContact OD2-NZ 2.69Å; D59-K86 PolarHBondContact OD2-NZ 2.94Å; L62-K86 HydrophobicContact CD2-CB 3.75Å; L62-K86 HydrophobicContact CD2-CD 4.18Å; L62-K86 HydrophobicContact CD2-CG 4.03Å; L62-K86 HydrophobicContact CG-CB 4.49Å; L62-K86 HydrophobicContact CG-CD 4.31Å; I66-K86 HydrophobicContact CD1-CD 4.21Å; L82-K86 PolarHBondContact O-N 3.04Å; K83-K86 PolarHBondContact O-N 3.2Å; K86-V89 PolarHBondContact O-N 3.23Å; K86-A90 PolarHBondContact O-N 2.7Å
87L93.1Very high83.4Confident102 Ų10278.7 Ų78.753%0.53440%0.399SS..Hα-helixtrans-63-40.4175.5-67.5171.7000112.6K83 R84 E85 V89 A90 N91K83-L87 WeakPolarHBondContact O-CG 3.43Å; K83-L87 PolarHBondContact O-N 2.98Å; K83-L87 VanDerWaalsContact O-N 3.17Å; R84-L87 PolarHBondContact O-N 3.04Å; E85-L87 VanDerWaalsContact C-N 3.34Å; E85-L87 PolarHBondContact O-N 3.32Å; L87-V89 VanDerWaalsContact C-N 3.27Å; L87-V89 PolarHBondContact O-N 3.22Å; L87-A90 PolarHBondContact O-N 3.09Å; L87-N91 WeakPolarHBondContact O-CB 3.45Å; L87-N91 PolarHBondContact O-N 3.03Å; L87-N91 PolarHBondContact O-OD1 3.31Å
88K91.3Very high81.1Confident112 Ų11276.8 Ų76.849%0.48739%0.392SS..Hα-helixtrans-61.1-35175.5-70.4172.7-169.9175.50112.6R84 E85 K92R84-K88 WeakPolarHBondContact O-CG 3.22Å; R84-K88 PolarHBondContact O-N 2.88Å; R84-K88 VanDerWaalsContact O-N 3.12Å; E85-K88 WeakPolarHBondContact O-CB 3.49Å; E85-K88 PolarHBondContact O-N 3.44Å; E85-K88 WeakPolarHBondContact OE1-CD 3.43Å; E85-K88 WeakPolarHBondContact OE1-CE 3.31Å; E85-K88 IonicContact OE1-NZ 2.81Å; E85-K88 PolarHBondContact OE1-NZ 2.75Å; K88-K92 WeakPolarHBondContact O-CB 3.41Å; K88-K92 VanDerWaalsContact O-CG 3.29Å; K88-K92 WeakPolarHBondContact O-CG 3.48Å; K88-K92 PolarHBondContact O-N 3.23Å
89V88.4Confident79Confident14 Ų1486 Ų869%0.08543%0.432CS..Hα-helixtrans-73.3-44.3176.5175.20000111.2N4 Y5 I8 E85 K86 L87 K92 I93N4-V89 HydrophobicContact CB-CG1 4Å; N4-V89 HydrophobicContact CB-CG2 4.18Å; Y5-V89 HydrophobicContact CD1-CB 4.24Å; Y5-V89 HydrophobicContact CD1-CG1 4.02Å; Y5-V89 HydrophobicContact CE1-CB 3.64Å; Y5-V89 HydrophobicContact CE1-CG1 3.47Å; Y5-V89 VanDerWaalsContact CE1-CG1 3.47Å; Y5-V89 HydrophobicContact CE1-CG2 4.38Å; Y5-V89 HydrophobicContact CE2-CG1 4.06Å; I8-V89 HydrophobicContact CD1-CG2 3.43Å; I8-V89 VanDerWaalsContact CD1-CG2 3.43Å; E85-V89 PolarHBondContact O-N 3.29Å; E85-V89 VanDerWaalsContact O-N 3.1Å; K86-V89 PolarHBondContact O-N 3.23Å; L87-V89 VanDerWaalsContact C-N 3.27Å; L87-V89 PolarHBondContact O-N 3.22Å; V89-K92 PolarHBondContact O-N 2.65Å; V89-I93 HydrophobicContact CG1-CD1 3.76Å; V89-I93 HydrophobicContact CG1-CG1 4.41Å; V89-I93 WeakPolarHBondContact O-CG1 3.34Å; V89-I93 PolarHBondContact O-N 3.01Å
90A85.4Confident76.8Confident28 Ų2889.6 Ų89.623%0.23147%0.469CS..Hα-helixtrans-55.8-53.7174.900000111.5K86 L87 K92 I93 E94K86-A90 PolarHBondContact O-N 2.7Å; L87-A90 PolarHBondContact O-N 3.09Å; A90-K92 VanDerWaalsContact C-N 3.26Å; A90-K92 PolarHBondContact O-N 3.22Å; A90-I93 PolarHBondContact O-N 2.95Å; A90-E94 PolarHBondContact O-N 2.93Å
91N84.1Confident74.5Confident98 Ų9892.8 Ų92.852%0.52449%0.487SS..Hα-helixtrans-59.2-36178.8-64.24.1000112.4L87 S95L87-N91 WeakPolarHBondContact O-CB 3.45Å; L87-N91 PolarHBondContact O-N 3.03Å; L87-N91 PolarHBondContact O-OD1 3.31Å; N91-S95 VanDerWaalsContact O-CB 3.31Å; N91-S95 WeakPolarHBondContact O-CB 3.48Å; N91-S95 PolarHBondContact O-N 2.96Å; N91-S95 PolarHBondContact O-OG 3.34Å
92K78.5Confident72.4Confident146 Ų14697.7 Ų97.764%0.63551%0.51SS*.Hα-helixtrans-66-44174.7-82.1-179.2177.9-170.40111.7K88 V89 A90 S95 I96K88-K92 WeakPolarHBondContact O-CB 3.41Å; K88-K92 VanDerWaalsContact O-CG 3.29Å; K88-K92 WeakPolarHBondContact O-CG 3.48Å; K88-K92 PolarHBondContact O-N 3.23Å; V89-K92 PolarHBondContact O-N 2.65Å; A90-K92 VanDerWaalsContact C-N 3.26Å; A90-K92 PolarHBondContact O-N 3.22Å; K92-S95 WeakPolarHBondContact CA-OG 3.23Å; K92-S95 PolarHBondContact O-N 2.85Å; K92-S95 PolarHBondContact O-OG 3.25Å; K92-I96 WeakPolarHBondContact O-CG1 2.97Å; K92-I96 PolarHBondContact O-N 3.43Å
93I65.9Low69.8Low90 Ų90103.1 Ų103.146%0.46255%0.545SS..Hα-helixtrans-62.4-46177.6-67.2165.3000110.5V89 A90 S95 I96V89-I93 HydrophobicContact CG1-CD1 3.76Å; V89-I93 HydrophobicContact CG1-CG1 4.41Å; V89-I93 WeakPolarHBondContact O-CG1 3.34Å; V89-I93 PolarHBondContact O-N 3.01Å; A90-I93 PolarHBondContact O-N 2.95Å; I93-S95 VanDerWaalsContact C-N 3.26Å; I93-S95 PolarHBondContact O-N 3.03Å; I93-I96 PolarHBondContact O-N 3.03Å
94E60.6Low67.7Low158 Ų158104.8 Ų104.874%0.73857%0.567SS**Hα-helixtrans-62.4-31.6176-69.4176.9-175.400113.1A90A90-E94 PolarHBondContact O-N 2.93Å
95S55Low65.3Low83 Ų83107.8 Ų107.858%0.5858%0.584SS**Hα-helixtrans-79.1-12.5177.473.90000114.8N91 K92 I93 P97N91-S95 VanDerWaalsContact O-CB 3.31Å; N91-S95 WeakPolarHBondContact O-CB 3.48Å; N91-S95 PolarHBondContact O-N 2.96Å; N91-S95 PolarHBondContact O-OG 3.34Å; K92-S95 WeakPolarHBondContact CA-OG 3.23Å; K92-S95 PolarHBondContact O-N 2.85Å; K92-S95 PolarHBondContact O-OG 3.25Å; I93-S95 VanDerWaalsContact C-N 3.26Å; I93-S95 PolarHBondContact O-N 3.03Å; S95-P97 VanDerWaalsContact O-CD 3.23Å; S95-P97 WeakPolarHBondContact O-CD 3.45Å
96I54.1Low63.3Low111 Ų111115.9 Ų115.957%0.56962%0.619SS**SBendtrans-74114.8173.1-67.4165.3000107.4K92 I93 V98K92-I96 WeakPolarHBondContact O-CG1 2.97Å; K92-I96 PolarHBondContact O-N 3.43Å; I93-I96 PolarHBondContact O-N 3.03Å; I96-V98 PolarHBondContact O-N 3.18Å
97P42.3Very low61.1Low114 Ų114119 Ų11974%0.7464%0.643SS**  trans-67.1113173.2-10.527000107.3S95 K99S95-P97 VanDerWaalsContact O-CD 3.23Å; S95-P97 WeakPolarHBondContact O-CD 3.45Å; P97-K99 PolarHBondContact O-N 3.17Å
98V45Very low59Low105 Ų105123.4 Ų123.464%0.63666%0.658SS**  trans-58.3108.9168.1177.30000106.6I96 G100 I101I96-V98 PolarHBondContact O-N 3.18Å; V98-G100 VanDerWaalsContact C-N 3.25Å; V98-G100 PolarHBondContact O-N 2.75Å; V98-I101 PolarHBondContact O-N 2.93Å
99K51.4Low56.7Low220 Ų220126.6 Ų126.696%0.95768%0.675SS**THydrogen-bonded Turntrans-67.886.4-177.2-176.1162.3-179.5172.20109.3P97P97-K99 PolarHBondContact O-N 3.17Å
100G50.8Low54.5Low76 Ų76135.5 Ų135.578%0.78471%0.713SS**THydrogen-bonded Turntrans155.1-16.7-174.700000115.4V98V98-G100 VanDerWaalsContact C-N 3.25Å; V98-G100 PolarHBondContact O-N 2.75Å
101I47.8Very low52Low137 Ų137143.1 Ų143.170%0.70374%0.743SS**SBendtrans-120.3125.8176.4-57.2-177.5000110.6V98V98-I101 PolarHBondContact O-N 2.93Å
102I52.3Low49.8Very low146 Ų146143.9 Ų143.975%0.74975%0.751SS**  trans-55.2135.3-177.9-64.4156.6000109.7S104I102-S104 PolarHBondContact O-N 2.76Å
103P41.7Very low47.8Very low114 Ų114146.8 Ų146.874%0.7476%0.76SS**  trans-61.2115.8169.3-15.628.1000108.3K105P103-K105 VanDerWaalsContact C-N 3.28Å; P103-K105 PolarHBondContact O-N 3.2Å
104S50.7Low46.5Very low121 Ų121148 Ų14885%0.84677%0.773SS**  trans-59.794172.7-74.70000109.2I102 K106I102-S104 PolarHBondContact O-N 2.76Å; S104-K106 PolarHBondContact O-N 3.04Å
105K46.8Very low45.5Very low193 Ų193144.5 Ų144.584%0.83977%0.772SS**  trans-50.6125.7168.6-77.5177.9174.6174.30106.9P103 T107P103-K105 VanDerWaalsContact C-N 3.28Å; P103-K105 PolarHBondContact O-N 3.2Å; K105-T107 PolarHBondContact O-N 3.05Å
106K51.3Low44.9Very low198 Ų198146.1 Ų146.186%0.86178%0.778SS**  trans-42.8118.7171.4-71.9178.6174.8179.40108.8S104 K108S104-K106 PolarHBondContact O-N 3.04Å; K106-K108 VanDerWaalsContact C-N 3.25Å; K106-K108 PolarHBondContact O-N 2.74Å
107T46.3Very low44.2Very low132 Ų132146.7 Ų146.781%0.8179%0.789SS**  trans-65.985.2-179.3-45.70000109.5K105 Q109K105-T107 PolarHBondContact O-N 3.05Å; T107-Q109 HydrophobicContact CG2-CG 4.25Å; T107-Q109 PolarHBondContact O-N 3.22Å
108K49.8Very low43.7Very low195 Ų195145.9 Ų145.985%0.84879%0.792SS**  trans-78.7102.7152.9-71.2-153.4173-163.70106K106 K110K106-K108 VanDerWaalsContact C-N 3.25Å; K106-K108 PolarHBondContact O-N 2.74Å; K108-K110 PolarHBondContact O-N 3.38Å
109Q43.4Very low43.1Very low180 Ų180146.9 Ų146.984%0.84180%0.802SS**  trans-53.5125.3169.3-74173.6-48.600108.2T107T107-Q109 HydrophobicContact CG2-CG 4.25Å; T107-Q109 PolarHBondContact O-N 3.22Å
110K40.8Very low42.4Very low201 Ų201142.3 Ų142.387%0.87479%0.793SS**  trans-85.5118.6161-99.5-172.3171.9-1730106.5K108K108-K110 PolarHBondContact O-N 3.38Å
111E34.2Very low41.9Very low187 Ų187144.5 Ų144.587%0.87479%0.793SS**  trans-115.791.3151.4-159.7158.7-159.400104.1
112V37.1Very low41.6Very low114 Ų114143.4 Ų143.469%0.69180%0.798SS**  55.794.597.5-178.20000109.9P114V112-P114 VanDerWaalsContact O-CD 3.25Å; V112-P114 WeakPolarHBondContact O-CD 3.25Å
113Y36.9Very low41.1Very low208 Ų208143.3 Ų143.382%0.81680%0.799SS**  trans-60115.4170.9-155.8-91.8000109.2
114P38.3Very low40.6Very low114 Ų114148.1 Ų148.174%0.7480%0.802SS**  trans-74.5126.3163.5-7.526.2000107.2V112 T116V112-P114 VanDerWaalsContact O-CD 3.25Å; V112-P114 WeakPolarHBondContact O-CD 3.25Å; P114-T116 PolarHBondContact O-N 3.18Å
115A40.4Very low39.9Very low86 Ų86149 Ų14971%0.71180%0.797SS**  trans-63.6134175.100000110.7
116T42.1Very low39.2Very low117 Ų117146.2 Ų146.272%0.71880%0.796SS**  trans-6.8113.5158.6-39.40000116P114 A118P114-T116 PolarHBondContact O-N 3.18Å; T116-A118 PolarHBondContact O-N 3.35Å
117P38.1Very low38.5Very low122 Ų122140.9 Ų140.979%0.79279%0.789SS**  trans-69.2121.2156.829.3-30.5000108.2C119P117-C119 PolarHBondContact O-N 3.42Å
118A33.4Very low37.8Very low97 Ų97145.1 Ų145.180%0.80280%0.796SS**  trans-64.9116.3177.100000110T116 T120T116-A118 PolarHBondContact O-N 3.35Å; A118-T120 PolarHBondContact O-N 3.45Å
119C31.4Very low37Very low126 Ų126139.1 Ų139.185%0.85179%0.79SS**  trans-84.8109.8175.4-166.70000109.5P117P117-C119 PolarHBondContact O-N 3.42Å
120T37.2Very low36.7Very low124 Ų124134.8 Ų134.876%0.76179%0.785SS**  trans-63131.4176.3-54.90000110.7A118 S122A118-T120 PolarHBondContact O-N 3.45Å; T120-S122 PolarHBondContact O-N 3.45Å
121P39.4Very low36.5Very low122 Ų122133.4 Ų133.479%0.79278%0.781SS**  trans-77.9123.7178.131.1-32.9000110.7
122S41.3Very low36.5Very low115 Ų115132.4 Ų132.480%0.80478%0.777SS**  trans-132.4132.2152.8-168.20000109.1T120T120-S122 PolarHBondContact O-N 3.45Å
123N42.7Very low36.4Very low143 Ų143131.7 Ų131.777%0.76577%0.773SS**  trans-81.6164-177.451.627.9000111.3
124R30.8Very low36.4Very low216 Ų216129.7 Ų129.782%0.81578%0.775SS**  150.794128.3-174.8171.8-107.9-107.52.9113.3
125L36.3Very low36.2Very low140 Ų140127.7 Ų127.773%0.73378%0.775SS**  trans61.1146.6133.3-80.2164.8000122.9
126T31.6Very low36.7Very low133 Ų133129.6 Ų129.682%0.81678%0.781SS**  trans70.5143.1158.655.40000119.6
127A37Very low37.1Very low87 Ų87133.5 Ų133.572%0.71979%0.791SS**  cis-168.8151-21.400000112.1
128K31.9Very low37.3Very low220 Ų220136.1 Ų136.196%0.95779%0.79SS**  trans66.2131.9144.2-140.2179.2-174.4-173.20121.3
129G32.8Very low37.7Very low69 Ų69142.4 Ų142.471%0.71179%0.792SS**  trans143.979167.400000112.2
130A37.5Very low38.3Very low89 Ų89146.2 Ų146.274%0.73680%0.795SS**  73.396.2101.800000112.9
131E35Very low38.6Very low173 Ų173149.7 Ų149.781%0.80880%0.799SS**  81.7113.1106.3-92.4-178.411000112.9
132E35.6Very low39Very low165 Ų165149.6 Ų149.677%0.77180%0.799SS**  72.1141.4100.3-81.7-142.1-162.400113.8
133T35.6Very low39.1Very low99 Ų99149.2 Ų149.261%0.60780%0.796SS**  cis-162.3160.95.3-121.30000112
134L36.5Very low39.2Very low166 Ų166151.1 Ų151.187%0.86980%0.8SS**  trans11.6143.2160.4-54168.8000123
135G34Very low39.6Very low72 Ų72150.3 Ų150.374%0.74281%0.806SS**  trans172.7101.215200000118
136P50.2Low40.2Very low127 Ų127152.4 Ų152.483%0.82581%0.812SS**  trans-95.1138.3167.835.1-30000112.2
137Q49.8Very low40.9Very low199 Ų199152.9 Ų152.993%0.9382%0.815SS**  trans-127.7155.3178.6-82.1-94.213.100112.7
138K42.8Very low41.2Very low177 Ų177152.6 Ų152.677%0.7782%0.82SS**  trans-144.1129.6-146.7174.9-171.1-178.9-177.60112.1
139R41.4Very low41.7Very low228 Ų228148.6 Ų148.686%0.8681%0.814SS**  trans44.5139.8160.2-75.9-175.6171.2173.3-2.4120.1
140K44Very low42.3Very low207 Ų207158.8 Ų158.890%0.984%0.839SS**  -168.2143.5116.2-105.8170.7-177.5-174.70114.3
141K45.1Very low42.5Very low197 Ų197162.3 Ų162.386%0.85784%0.844SS**  trans-104.8170.6146.2-59.7-168.2176.9-169.50106.3
142P47.8Very low42.9Very low120 Ų120161.7 Ų161.778%0.77985%0.846SS**  cis-121.9-149.740.139.8-18.8000111.6
143S42Very low43.3Very low106 Ų106161.6 Ų161.674%0.74185%0.85SS**  cis-155.4-177.911.1-133.40000115
144E45.8Very low43.8Very low184 Ų184165.2 Ų165.286%0.8686%0.864SS**  trans-76.4162.6172.8-69.5154.2135.900115.4
145E39.9Very low44.2Very low198 Ų198165.2 Ų165.293%0.92586%0.864SS**  trans-139.9140.8157.7-169.6171.5170.800109.1
146E48.5Very low44.9Very low185 Ų185171.4 Ų171.486%0.86487%0.872SS**  trans-92.2151.9-166.7-63.6-174.3117.400114.7
147T45.9Very low44.5Very low143 Ų143174.6 Ų174.688%0.87788%0.876SS**  trans-10099.2157.832.80000110.8
148G43.2Very low44.1Very low80 Ų80172.7 Ų172.783%0.82587%0.871SS**  trans-75.8127.2173.600000112.8
149T43.3Very low44.3Very low137 Ų137172.3 Ų172.384%0.8488%0.88SS**  trans-112.3119.6170.9-60.10000109.8
150K44.3Very low44.5Very low283 Ų283167.3 Ų167.3100%1.2388%0.882SS**  trans-167.80150.8-112.9171.4-175.5179.20111.4

Retrieved 150 of 150 residues in 32.2 ms (Link to these results)

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