A0A5K4F8N7_SCHMA Loading...

Secreted protein

AlphaFold DB , UniProt , Accession A0A5K4F8N7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 77 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
1M56.4Low73.9Confident247 Ų24774.2 Ų74.2100%1.21740%0.398SS*.  0128.60-69172.5175.700107.8
2I67.6Low73.8Confident98 Ų9869.7 Ų69.750%0.50338%0.376SS..  trans-79.9124.7173.4-166.8162.2000108K6 V7 L10I2-K6 HydrophobicContact CD1-CB 4.05Å; I2-K6 HydrophobicContact CG1-CB 3.51Å; I2-K6 HydrophobicContact CG1-CD 4.09Å; I2-K6 HydrophobicContact CG1-CG 4.45Å; I2-V7 HydrophobicContact CB-CG2 4.49Å; I2-V7 HydrophobicContact CD1-CG2 4.16Å; I2-V7 HydrophobicContact CG1-CG2 4.02Å; I2-V7 HydrophobicContact CG2-CG2 3.73Å; I2-L10 HydrophobicContact CD1-CD1 3.75Å
3S73.8Confident73.9Confident43 Ų4365.1 Ų65.130%0.30135%0.351SS..  trans-67.8150.8177.565.90000110F5 K6 V7S3-F5 PolarHBondContact O-N 3.12Å; S3-K6 WeakPolarHBondContact O-CB 3.38Å; S3-K6 PolarHBondContact O-N 3.2Å; S3-K6 WeakPolarHBondContact OG-CG 3.4Å; S3-K6 PolarHBondContact OG-N 3.28Å; S3-V7 PolarHBondContact O-N 2.99Å; S3-V7 VanDerWaalsContact O-N 3.12Å
4T77.1Confident73.9Confident117 Ų11766.6 Ų66.672%0.71836%0.358SS*.Hα-helixtrans-54.2-36.5175.546.50000111.8V7 I8T4-V7 PolarHBondContact O-N 3.3Å; T4-I8 WeakPolarHBondContact O-CG1 3.37Å; T4-I8 PolarHBondContact O-N 2.99Å
5F74.7Confident73.8Confident12 Ų1265.6 Ų65.65%0.05336%0.363CS..Hα-helixtrans-58.8-48.5172.9178.7-99.8000112.7S3 V7 I8 C9 P41 L46 H73S3-F5 PolarHBondContact O-N 3.12Å; F5-V7 VanDerWaalsContact C-N 3.28Å; F5-V7 PolarHBondContact O-N 3.26Å; F5-I8 PolarHBondContact O-N 3.01Å; F5-C9 WeakPolarHBondContact CE1-SG 3.29Å; F5-C9 WeakPolarHBondContact CZ-SG 3.26Å; F5-C9 WeakPolarHBondContact O-CB 3.29Å; F5-C9 PolarHBondContact O-N 3.22Å; F5-C9 PolarHBondContact O-SG 3.02Å; F5-C9 VanDerWaalsContact O-SG 3.35Å; F5-P41 HydrophobicContact CD1-CB 3.48Å; F5-P41 VanDerWaalsContact CD1-CB 3.48Å; F5-P41 HydrophobicContact CD1-CG 4.22Å; F5-P41 HydrophobicContact CE1-CB 3.72Å; F5-P41 HydrophobicContact CG-CB 4.36Å; F5-L46 HydrophobicContact CE1-CD2 3.67Å; F5-L46 HydrophobicContact CE2-CD2 4.29Å; F5-L46 HydrophobicContact CZ-CD2 3.28Å; F5-H73 WeakPolarHBondContact CB-NE2 3.44Å; F5-H73 AromaticContact CD1-CD2 3.67Å; F5-H73 AromaticContact CD1-NE2 3.8Å; F5-H73 HydrophobicContact CD2-CB 3.48Å; F5-H73 VanDerWaalsContact CD2-CB 3.48Å; F5-H73 AromaticContact CD2-CD2 3.19Å; F5-H73 WeakPolarHBondContact CD2-CD2 2.82Å; F5-H73 AromaticContact CD2-CE1 3.99Å; F5-H73 AromaticContact CD2-CG 3.19Å; F5-H73 AromaticContact CD2-ND1 3.72Å; F5-H73 AromaticContact CD2-NE2 3.69Å; F5-H73 AromaticContact CE1-CD2 3.94Å; F5-H73 HydrophobicContact CE2-CB 3.36Å; F5-H73 AromaticContact CE2-CD2 3.51Å; F5-H73 AromaticContact CE2-CG 3.53Å; F5-H73 HydrophobicContact CG-CB 4.44Å; F5-H73 AromaticContact CG-CD2 3.26Å; F5-H73 WeakPolarHBondContact CG-CD2 3.18Å; F5-H73 AromaticContact CG-CE1 3.85Å; F5-H73 AromaticContact CG-CG 3.72Å; F5-H73 AromaticContact CG-NE2 3.32Å; F5-H73 VanDerWaalsContact CG-NE2 3.32Å; F5-H73 WeakPolarHBondContact CG-NE2 3.19Å; F5-H73 HydrophobicContact CZ-CB 4.25Å; F5-H73 AromaticContact CZ-CD2 3.86Å
6K76.1Confident73.5Confident27 Ų2762.8 Ų62.812%0.11735%0.345CS..Hα-helixtrans-58.9-41.2176.6-75.8-176.3176.3-161.60111.5I2 S3 C9 L10 V36 R37 S39I2-K6 HydrophobicContact CD1-CB 4.05Å; I2-K6 HydrophobicContact CG1-CB 3.51Å; I2-K6 HydrophobicContact CG1-CD 4.09Å; I2-K6 HydrophobicContact CG1-CG 4.45Å; S3-K6 WeakPolarHBondContact O-CB 3.38Å; S3-K6 PolarHBondContact O-N 3.2Å; S3-K6 WeakPolarHBondContact OG-CG 3.4Å; S3-K6 PolarHBondContact OG-N 3.28Å; K6-C9 PolarHBondContact O-N 2.99Å; K6-L10 WeakPolarHBondContact O-CB 3.32Å; K6-L10 WeakPolarHBondContact O-CG 3.46Å; K6-L10 PolarHBondContact O-N 3.41Å; K6-V36 HydrophobicContact CB-CG1 4.24Å; K6-V36 VanDerWaalsContact CD-O 3.29Å; K6-V36 WeakPolarHBondContact CD-O 3.37Å; K6-V36 WeakPolarHBondContact CE-O 3.48Å; K6-V36 HydrophobicContact CG-CG1 4.27Å; K6-V36 WeakPolarHBondContact CG-O 3.45Å; K6-R37 PolarHBondContact NZ-O 2.72Å; K6-S39 WeakPolarHBondContact CE-O 3.4Å; K6-S39 PolarHBondContact NZ-O 3.1Å
7V78.6Confident73.2Confident60 Ų6063.4 Ų63.436%0.36435%0.347SS..Hα-helixtrans-60.7-49.2176.5179.10000110.9I2 S3 T4 F5 C9 L10 L11I2-V7 HydrophobicContact CB-CG2 4.49Å; I2-V7 HydrophobicContact CD1-CG2 4.16Å; I2-V7 HydrophobicContact CG1-CG2 4.02Å; I2-V7 HydrophobicContact CG2-CG2 3.73Å; S3-V7 PolarHBondContact O-N 2.99Å; S3-V7 VanDerWaalsContact O-N 3.12Å; T4-V7 PolarHBondContact O-N 3.3Å; F5-V7 VanDerWaalsContact C-N 3.28Å; F5-V7 PolarHBondContact O-N 3.26Å; V7-C9 VanDerWaalsContact C-N 3.32Å; V7-C9 PolarHBondContact O-N 3.29Å; V7-L10 PolarHBondContact O-N 3.42Å; V7-L11 HydrophobicContact CG1-CD1 4.14Å; V7-L11 WeakPolarHBondContact O-CG 3.39Å; V7-L11 PolarHBondContact O-N 2.86Å
8I77.6Confident72.9Confident73 Ų7367.1 Ų67.137%0.37437%0.366SS..Hα-helixtrans-59-46.1177.8-68.2165.6000110.4T4 F5 L10 L11 C12 L69T4-I8 WeakPolarHBondContact O-CG1 3.37Å; T4-I8 PolarHBondContact O-N 2.99Å; F5-I8 PolarHBondContact O-N 3.01Å; I8-L10 VanDerWaalsContact C-N 3.34Å; I8-L10 PolarHBondContact O-N 3.36Å; I8-L11 PolarHBondContact O-N 3.19Å; I8-C12 PolarHBondContact O-N 2.92Å; I8-C12 PolarHBondContact O-SG 2.76Å; I8-C12 VanDerWaalsContact O-SG 3.35Å; I8-L69 HydrophobicContact CG2-CD1 3.79Å; I8-L69 HydrophobicContact CG2-CD2 4.28Å
9C75.6Confident72.6Confident1 Ų166.5 Ų66.51%0.00737%0.372CS..Hα-helixtrans-61.2-42.4-179.9-73.70000112.5F5 K6 V7 C12 L13 V36 F66F5-C9 WeakPolarHBondContact CE1-SG 3.29Å; F5-C9 WeakPolarHBondContact CZ-SG 3.26Å; F5-C9 WeakPolarHBondContact O-CB 3.29Å; F5-C9 PolarHBondContact O-N 3.22Å; F5-C9 PolarHBondContact O-SG 3.02Å; F5-C9 VanDerWaalsContact O-SG 3.35Å; K6-C9 PolarHBondContact O-N 2.99Å; V7-C9 VanDerWaalsContact C-N 3.32Å; V7-C9 PolarHBondContact O-N 3.29Å; C9-C12 PolarHBondContact O-N 2.96Å; C9-L13 WeakPolarHBondContact O-CG 3.4Å; C9-L13 PolarHBondContact O-N 3.35Å; C9-V36 HydrophobicContact CB-CB 4.45Å; C9-V36 HydrophobicContact CB-CG1 3.51Å; C9-V36 HydrophobicContact CB-CG2 3.99Å; C9-F66 HydrophobicContact CB-CE2 3.66Å; C9-F66 HydrophobicContact CB-CZ 3.59Å; C9-F66 WeakPolarHBondContact SG-CZ 3.38Å
10L78.8Confident72.2Confident30 Ų3066.3 Ų66.316%0.15739%0.385CS..Hα-helixtrans-66.3-37.8177-67.2170.9000112.2I2 K6 V7 I8 L13 L14 Y33 V36I2-L10 HydrophobicContact CD1-CD1 3.75Å; K6-L10 WeakPolarHBondContact O-CB 3.32Å; K6-L10 WeakPolarHBondContact O-CG 3.46Å; K6-L10 PolarHBondContact O-N 3.41Å; V7-L10 PolarHBondContact O-N 3.42Å; I8-L10 VanDerWaalsContact C-N 3.34Å; I8-L10 PolarHBondContact O-N 3.36Å; L10-L13 HydrophobicContact CD2-CD1 4.49Å; L10-L13 PolarHBondContact O-N 3.35Å; L10-L14 PolarHBondContact O-N 2.99Å; L10-Y33 HydrophobicContact CD2-CD2 3.53Å; L10-Y33 HydrophobicContact CD2-CE2 3.55Å; L10-Y33 HydrophobicContact CD2-CG 4.27Å; L10-V36 HydrophobicContact CD2-CB 4.08Å; L10-V36 HydrophobicContact CD2-CG1 3.91Å; L10-V36 HydrophobicContact CG-CG1 3.84Å
11L76.7Confident71.5Confident108 Ų10863.6 Ų63.657%0.56537%0.369SS*.Hα-helixtrans-65.3-40.8174.7-71174000111.7V7 I8 L14 A15V7-L11 HydrophobicContact CG1-CD1 4.14Å; V7-L11 WeakPolarHBondContact O-CG 3.39Å; V7-L11 PolarHBondContact O-N 2.86Å; I8-L11 PolarHBondContact O-N 3.19Å; L11-L14 PolarHBondContact O-N 2.88Å; L11-A15 PolarHBondContact O-N 3.46Å
12C73Confident71.5Confident20 Ų2053.3 Ų53.314%0.13532%0.319CS..Hα-helixtrans-61.6-49.7172.6-67.80000110.9I8 C9 L14 A15 Y16 F66 L69I8-C12 PolarHBondContact O-N 2.92Å; I8-C12 PolarHBondContact O-SG 2.76Å; I8-C12 VanDerWaalsContact O-SG 3.35Å; C9-C12 PolarHBondContact O-N 2.96Å; C12-L14 VanDerWaalsContact C-N 3.26Å; C12-L14 PolarHBondContact O-N 3.33Å; C12-A15 WeakPolarHBondContact O-CB 3.36Å; C12-A15 PolarHBondContact O-N 3.08Å; C12-Y16 HydrophobicContact CB-CE2 4.41Å; C12-Y16 WeakPolarHBondContact O-CD2 3.02Å; C12-Y16 PolarHBondContact O-N 3.34Å; C12-F66 HydrophobicContact CB-CD2 3.66Å; C12-F66 HydrophobicContact CB-CE2 3.97Å; C12-L69 VanDerWaalsContact SG-CD1 3.54Å
13L75.1Confident70.8Confident10 Ų1051.9 Ų51.95%0.05232%0.318CS..Hα-helixtrans-55.4-40.8178.2-75.4175.9000112.4C9 L10 Y16 I17 Y29 L32 V36C9-L13 WeakPolarHBondContact O-CG 3.4Å; C9-L13 PolarHBondContact O-N 3.35Å; L10-L13 HydrophobicContact CD2-CD1 4.49Å; L10-L13 PolarHBondContact O-N 3.35Å; L13-Y16 PolarHBondContact O-N 2.91Å; L13-I17 PolarHBondContact O-N 3.33Å; L13-Y29 HydrophobicContact CB-CE2 3.8Å; L13-L32 HydrophobicContact CD1-CB 4.33Å; L13-L32 HydrophobicContact CD2-CB 4.08Å; L13-L32 HydrophobicContact CD2-CD1 3.97Å; L13-L32 HydrophobicContact CD2-CG 4.5Å; L13-V36 HydrophobicContact CD1-CB 4.46Å; L13-V36 HydrophobicContact CD1-CG2 3.78Å
14L74.5Confident70Confident86 Ų8650.7 Ų50.745%0.4531%0.309SS..Hα-helixtrans-64.7-41.1174.8-177.164.8000112.7L10 L11 C12 Y16 I17 N18L10-L14 PolarHBondContact O-N 2.99Å; L11-L14 PolarHBondContact O-N 2.88Å; C12-L14 VanDerWaalsContact C-N 3.26Å; C12-L14 PolarHBondContact O-N 3.33Å; L14-Y16 VanDerWaalsContact C-N 3.26Å; L14-Y16 PolarHBondContact O-N 3.16Å; L14-I17 PolarHBondContact O-N 3.26Å; L14-N18 PolarHBondContact O-N 3.22Å; L14-N18 VanDerWaalsContact O-N 3.12Å
15A72.3Confident69.2Low52 Ų5248.4 Ų48.443%0.4330%0.298SS..Hα-helixtrans-62.4-33.9176.900000112.2L11 C12 N18 A19L11-A15 PolarHBondContact O-N 3.46Å; C12-A15 WeakPolarHBondContact O-CB 3.36Å; C12-A15 PolarHBondContact O-N 3.08Å; A15-N18 PolarHBondContact O-N 3.46Å; A15-A19 VanDerWaalsContact O-CB 3.3Å; A15-A19 WeakPolarHBondContact O-CB 3.27Å; A15-A19 PolarHBondContact O-N 2.95Å
16Y67.9Low68.8Low20 Ų2055.4 Ų55.48%0.07833%0.328CS..Hα-helixtrans-72.3-36.9179.7-79-127.3000112.2C12 L13 L14 A19 G20 V21 L22 H63 T65 F66C12-Y16 HydrophobicContact CB-CE2 4.41Å; C12-Y16 WeakPolarHBondContact O-CD2 3.02Å; C12-Y16 PolarHBondContact O-N 3.34Å; L13-Y16 PolarHBondContact O-N 2.91Å; L14-Y16 VanDerWaalsContact C-N 3.26Å; L14-Y16 PolarHBondContact O-N 3.16Å; Y16-A19 PolarHBondContact O-N 2.96Å; Y16-G20 PolarHBondContact O-N 3.32Å; Y16-V21 HydrophobicContact CD1-CB 4.42Å; Y16-V21 HydrophobicContact CD1-CG1 3.93Å; Y16-V21 HydrophobicContact CE1-CG1 4.49Å; Y16-V21 PolarHBondContact O-N 3.04Å; Y16-V21 VanDerWaalsContact O-N 3.1Å; Y16-L22 HydrophobicContact CD1-CG 4.44Å; Y16-L22 HydrophobicContact CG-CD1 4.49Å; Y16-H63 HydrophobicContact CE1-CB 4.02Å; Y16-H63 WeakPolarHBondContact CE1-O 3.19Å; Y16-H63 PolarHBondContact OH-O 2.96Å; Y16-T65 WeakPolarHBondContact CE2-OG1 3.01Å; Y16-T65 PolarHBondContact OH-N 3.09Å; Y16-T65 PolarHBondContact OH-OG1 2.88Å; Y16-F66 PolarHBondContact OH-N 3.48Å
17I68.3Low68.5Low74 Ų7462.8 Ų62.838%0.37936%0.355SS..Hα-helixtrans-58.6-52169.5-69.2177.2000109.5L13 L14 A19 G20 Y29L13-I17 PolarHBondContact O-N 3.33Å; L14-I17 PolarHBondContact O-N 3.26Å; I17-A19 PolarHBondContact O-N 3.48Å; I17-G20 PolarHBondContact O-N 2.93Å; I17-Y29 HydrophobicContact CD1-CD1 3.83Å; I17-Y29 HydrophobicContact CD1-CD2 3.49Å; I17-Y29 VanDerWaalsContact CD1-CD2 3.49Å; I17-Y29 HydrophobicContact CD1-CE1 3.56Å; I17-Y29 HydrophobicContact CD1-CE2 3.12Å; I17-Y29 HydrophobicContact CD1-CG 3.8Å; I17-Y29 HydrophobicContact CG1-CD2 3.72Å; I17-Y29 HydrophobicContact CG1-CE2 3.65Å; I17-Y29 HydrophobicContact CG1-CG 4.28Å
18N68.5Low67.9Low129 Ų12962.5 Ų62.569%0.6935%0.35SS*.Hα-helixtrans-65.2-30.1-176-77.1-22.1000112.7L14 A15 G20L14-N18 PolarHBondContact O-N 3.22Å; L14-N18 VanDerWaalsContact O-N 3.12Å; A15-N18 PolarHBondContact O-N 3.46Å; N18-G20 PolarHBondContact O-N 3.41Å
19A67.8Low67.3Low57 Ų5760.9 Ų60.947%0.47134%0.34SS..THydrogen-bonded Turntrans-77-7.3175.300000113.4A15 Y16 I17 V21A15-A19 VanDerWaalsContact O-CB 3.3Å; A15-A19 WeakPolarHBondContact O-CB 3.27Å; A15-A19 PolarHBondContact O-N 2.95Å; Y16-A19 PolarHBondContact O-N 2.96Å; I17-A19 PolarHBondContact O-N 3.48Å; A19-V21 HydrophobicContact CB-CB 4.34Å; A19-V21 HydrophobicContact CB-CG2 3.47Å; A19-V21 VanDerWaalsContact CB-CG2 3.47Å; A19-V21 PolarHBondContact O-N 3Å
20G63.2Low67.3Low62 Ų6265 Ų6564%0.63936%0.359SS*.THydrogen-bonded Turntrans68.120.6-175.700000113.6Y16 I17 N18Y16-G20 PolarHBondContact O-N 3.32Å; I17-G20 PolarHBondContact O-N 2.93Å; N18-G20 PolarHBondContact O-N 3.41Å
21V58.6Low67.2Low9 Ų967 Ų676%0.05537%0.369CS..  trans-89.6-35.3-169.31710000112.2Y16 A19 S23 V59 H63Y16-V21 HydrophobicContact CD1-CB 4.42Å; Y16-V21 HydrophobicContact CD1-CG1 3.93Å; Y16-V21 HydrophobicContact CE1-CG1 4.49Å; Y16-V21 PolarHBondContact O-N 3.04Å; Y16-V21 VanDerWaalsContact O-N 3.1Å; A19-V21 HydrophobicContact CB-CB 4.34Å; A19-V21 HydrophobicContact CB-CG2 3.47Å; A19-V21 VanDerWaalsContact CB-CG2 3.47Å; A19-V21 PolarHBondContact O-N 3Å; V21-S23 PolarHBondContact O-N 2.76Å; V21-V59 HydrophobicContact CG1-CB 4.4Å; V21-V59 HydrophobicContact CG1-CG1 3.68Å; V21-V59 HydrophobicContact CG1-CG2 4.28Å; V21-V59 WeakPolarHBondContact O-CG2 3.17Å; V21-H63 HydrophobicContact CG1-CB 3.53Å; V21-H63 HydrophobicContact CG2-CB 4.35Å; V21-H63 VanDerWaalsContact CG2-CD2 3.41Å; V21-H63 WeakPolarHBondContact CG2-CD2 3.23Å; V21-H63 WeakPolarHBondContact CG2-CE1 3.44Å; V21-H63 WeakPolarHBondContact CG2-ND1 3.17Å; V21-H63 VanDerWaalsContact CG2-NE2 3.35Å; V21-H63 WeakPolarHBondContact CG2-NE2 3.35Å
22L56Low67.2Low32 Ų3262 Ų6217%0.16834%0.343CS..  trans-72.982.5167.1-78.7157.7000107.3Y16 T24 Y29 L32Y16-L22 HydrophobicContact CD1-CG 4.44Å; Y16-L22 HydrophobicContact CG-CD1 4.49Å; L22-T24 PolarHBondContact O-N 3.29Å; L22-Y29 HydrophobicContact CD1-CD2 3.92Å; L22-L32 HydrophobicContact CD2-CD1 4.3Å
23S52.9Low67.4Low68 Ų6864.6 Ų64.648%0.47635%0.351SS..  trans-68.5-10165.237.10000112.1V21 D56V21-S23 PolarHBondContact O-N 2.76Å; S23-D56 WeakPolarHBondContact CB-OD2 3.2Å; S23-D56 PolarHBondContact OG-OD2 2.81Å
24T56.4Low67.7Low18 Ų1866.6 Ų66.611%0.1137%0.365CS..SBendtrans-72.514817667.90000111.8L22 K26 E28 D56L22-T24 PolarHBondContact O-N 3.29Å; T24-K26 PolarHBondContact O-N 3.38Å; T24-E28 VanDerWaalsContact CB-CD 3.43Å; T24-E28 WeakPolarHBondContact CB-OE2 3.29Å; T24-E28 WeakPolarHBondContact CG2-OE2 3.41Å; T24-E28 PolarHBondContact OG1-OE2 2.91Å; T24-E28 VanDerWaalsContact OG1-OE2 3.07Å; T24-D56 HydrophobicContact CG2-CB 3.49Å; T24-D56 VanDerWaalsContact CG2-CB 3.49Å; T24-D56 WeakPolarHBondContact CG2-OD2 3.34Å
25S61.1Low68.1Low69 Ų6963.5 Ų63.548%0.48335%0.349SS..  trans-48.6143.1-173.370.90000111.2R27 E28S25-R27 CarbonylContact O-C 3.58Å; S25-R27 PolarHBondContact O-N 3.02Å; S25-E28 PolarHBondContact O-N 3.12Å
26K66.8Low68.4Low159 Ų15961.1 Ų61.169%0.69133%0.33SS*.Hα-helixtrans-40-31.7173.8-177.8-175.3175-164.90113.6T24 E30T24-K26 PolarHBondContact O-N 3.38Å; K26-E30 WeakPolarHBondContact CE-OE1 3.32Å; K26-E30 IonicContact NZ-OE1 3.8Å; K26-E30 WeakPolarHBondContact O-CG 3.27Å; K26-E30 PolarHBondContact O-N 3.38Å; K26-E30 VanDerWaalsContact O-N 3.08Å
27R69.7Low69.1Low181 Ų18166.9 Ų66.968%0.68335%0.351SS*.Hα-helixtrans-63.3-44.7176.3-175.1173.9-67.4-172.7-0.9113.9S25 Y29 E30 D31S25-R27 CarbonylContact O-C 3.58Å; S25-R27 PolarHBondContact O-N 3.02Å; R27-Y29 VanDerWaalsContact C-N 3.27Å; R27-Y29 PolarHBondContact O-N 3.24Å; R27-E30 WeakPolarHBondContact O-CB 3.02Å; R27-E30 PolarHBondContact O-N 3.39Å; R27-E30 VanDerWaalsContact O-N 3.08Å; R27-D31 VanDerWaalsContact O-CG 3.25Å; R27-D31 PolarHBondContact O-N 3.36Å
28E64.4Low69.7Low55 Ų5569 Ų6926%0.25736%0.363SS..Hα-helixtrans-64.2-36179.5-72-177.1-150.400111.7T24 S25 D31 L32T24-E28 VanDerWaalsContact CB-CD 3.43Å; T24-E28 WeakPolarHBondContact CB-OE2 3.29Å; T24-E28 WeakPolarHBondContact CG2-OE2 3.41Å; T24-E28 PolarHBondContact OG1-OE2 2.91Å; T24-E28 VanDerWaalsContact OG1-OE2 3.07Å; S25-E28 PolarHBondContact O-N 3.12Å; E28-D31 PolarHBondContact O-N 3.4Å; E28-L32 WeakPolarHBondContact O-CB 3.44Å; E28-L32 WeakPolarHBondContact O-CG 3.24Å; E28-L32 PolarHBondContact O-N 2.95Å
29Y66.5Low70.2Confident39 Ų3964.6 Ų64.615%0.15334%0.343CS..Hα-helixtrans-62.9-47.4169.6172.6-91.4000111.9L13 I17 L22 R27 D31 L32 Y33L13-Y29 HydrophobicContact CB-CE2 3.8Å; I17-Y29 HydrophobicContact CD1-CD1 3.83Å; I17-Y29 HydrophobicContact CD1-CD2 3.49Å; I17-Y29 VanDerWaalsContact CD1-CD2 3.49Å; I17-Y29 HydrophobicContact CD1-CE1 3.56Å; I17-Y29 HydrophobicContact CD1-CE2 3.12Å; I17-Y29 HydrophobicContact CD1-CG 3.8Å; I17-Y29 HydrophobicContact CG1-CD2 3.72Å; I17-Y29 HydrophobicContact CG1-CE2 3.65Å; I17-Y29 HydrophobicContact CG1-CG 4.28Å; L22-Y29 HydrophobicContact CD1-CD2 3.92Å; R27-Y29 VanDerWaalsContact C-N 3.27Å; R27-Y29 PolarHBondContact O-N 3.24Å; Y29-D31 PolarHBondContact O-N 3.42Å; Y29-L32 WeakPolarHBondContact O-CB 3.44Å; Y29-L32 PolarHBondContact O-N 3.12Å; Y29-Y33 HydrophobicContact CE1-CD2 4.36Å; Y29-Y33 HydrophobicContact CE1-CG 4.43Å; Y29-Y33 VanDerWaalsContact O-CB 3.23Å; Y29-Y33 WeakPolarHBondContact O-CB 3.28Å; Y29-Y33 PolarHBondContact O-N 3.01Å
30E74.2Confident70.8Confident88 Ų8869 Ų6941%0.41135%0.354SS..Hα-helixtrans-60.1-36.5178.5-74173.4166.800111.3K26 R27 S34K26-E30 WeakPolarHBondContact CE-OE1 3.32Å; K26-E30 IonicContact NZ-OE1 3.8Å; K26-E30 WeakPolarHBondContact O-CG 3.27Å; K26-E30 PolarHBondContact O-N 3.38Å; K26-E30 VanDerWaalsContact O-N 3.08Å; R27-E30 WeakPolarHBondContact O-CB 3.02Å; R27-E30 PolarHBondContact O-N 3.39Å; R27-E30 VanDerWaalsContact O-N 3.08Å; E30-S34 WeakPolarHBondContact O-CB 3.21Å; E30-S34 PolarHBondContact O-N 2.93Å; E30-S34 PolarHBondContact O-OG 3.08Å
31D77.8Confident71.1Confident70 Ų7067.2 Ų67.237%0.37433%0.331SS..Hα-helixtrans-67.4-48.5174.3-68.3-20.7000111.3R27 E28 Y29 Y33 S34 L35R27-D31 VanDerWaalsContact O-CG 3.25Å; R27-D31 PolarHBondContact O-N 3.36Å; E28-D31 PolarHBondContact O-N 3.4Å; Y29-D31 PolarHBondContact O-N 3.42Å; D31-Y33 PolarHBondContact O-N 3.04Å; D31-S34 PolarHBondContact O-N 3.32Å; D31-L35 VanDerWaalsContact O-CB 3.3Å; D31-L35 WeakPolarHBondContact O-CB 3.38Å; D31-L35 PolarHBondContact O-N 3.33Å
32L75.6Confident71.6Confident5 Ų570.1 Ų70.13%0.02635%0.346CS..Hα-helixtrans-57.9-47.3174.4-87.4172.2000112.2L13 L22 E28 Y29 S34 L35 V36 L49 Y52L13-L32 HydrophobicContact CD1-CB 4.33Å; L13-L32 HydrophobicContact CD2-CB 4.08Å; L13-L32 HydrophobicContact CD2-CD1 3.97Å; L13-L32 HydrophobicContact CD2-CG 4.5Å; L22-L32 HydrophobicContact CD2-CD1 4.3Å; E28-L32 WeakPolarHBondContact O-CB 3.44Å; E28-L32 WeakPolarHBondContact O-CG 3.24Å; E28-L32 PolarHBondContact O-N 2.95Å; Y29-L32 WeakPolarHBondContact O-CB 3.44Å; Y29-L32 PolarHBondContact O-N 3.12Å; L32-S34 VanDerWaalsContact C-N 3.34Å; L32-L35 WeakPolarHBondContact O-CB 3.49Å; L32-L35 PolarHBondContact O-N 3.09Å; L32-V36 WeakPolarHBondContact O-CG2 3.05Å; L32-V36 PolarHBondContact O-N 2.83Å; L32-L49 HydrophobicContact CD2-CD2 3.63Å; L32-Y52 HydrophobicContact CD2-CD2 3.87Å; L32-Y52 HydrophobicContact CD2-CG 3.79Å; L32-Y52 HydrophobicContact CG-CD1 4.41Å; L32-Y52 HydrophobicContact CG-CD2 4.32Å; L32-Y52 HydrophobicContact CG-CG 3.92Å
33Y78.1Confident72.3Confident73 Ų7377.3 Ų77.329%0.28637%0.371SS..Hα-helixtrans-61.6-45.5177.9178.9-86.2000110.5L10 Y29 D31 L35 V36 R37L10-Y33 HydrophobicContact CD2-CD2 3.53Å; L10-Y33 HydrophobicContact CD2-CE2 3.55Å; L10-Y33 HydrophobicContact CD2-CG 4.27Å; Y29-Y33 HydrophobicContact CE1-CD2 4.36Å; Y29-Y33 HydrophobicContact CE1-CG 4.43Å; Y29-Y33 VanDerWaalsContact O-CB 3.23Å; Y29-Y33 WeakPolarHBondContact O-CB 3.28Å; Y29-Y33 PolarHBondContact O-N 3.01Å; D31-Y33 PolarHBondContact O-N 3.04Å; Y33-L35 VanDerWaalsContact C-N 3.33Å; Y33-L35 PolarHBondContact O-N 3.06Å; Y33-V36 PolarHBondContact O-N 2.83Å; Y33-R37 HydrophobicContact CE1-CB 4.48Å; Y33-R37 WeakPolarHBondContact O-CB 3.23Å; Y33-R37 PolarHBondContact O-N 3.47Å; Y33-R37 PolarHBondContact OH-NH1 2.91Å
34S82Confident73.3Confident52 Ų5279.5 Ų79.536%0.36437%0.374SS..Hα-helixtrans-62.6-40.2176.3-64.10000111.7E30 D31 L32 R37 N38E30-S34 WeakPolarHBondContact O-CB 3.21Å; E30-S34 PolarHBondContact O-N 2.93Å; E30-S34 PolarHBondContact O-OG 3.08Å; D31-S34 PolarHBondContact O-N 3.32Å; L32-S34 VanDerWaalsContact C-N 3.34Å; S34-R37 PolarHBondContact O-N 3.48Å; S34-N38 VanDerWaalsContact O-CB 3.23Å; S34-N38 WeakPolarHBondContact O-CB 3.44Å; S34-N38 PolarHBondContact O-N 3.29Å; S34-N38 PolarHBondContact O-ND2 2.77Å; S34-N38 VanDerWaalsContact O-ND2 3.09Å
35L81.4Confident74Confident21 Ų2179 Ų7911%0.1137%0.371CS..Hα-helixtrans-61.8-52.7176.3-179.567.6000111.3D31 L32 Y33 R37 S39 T45 K48 L49 Y52D31-L35 VanDerWaalsContact O-CB 3.3Å; D31-L35 WeakPolarHBondContact O-CB 3.38Å; D31-L35 PolarHBondContact O-N 3.33Å; L32-L35 WeakPolarHBondContact O-CB 3.49Å; L32-L35 PolarHBondContact O-N 3.09Å; Y33-L35 VanDerWaalsContact C-N 3.33Å; Y33-L35 PolarHBondContact O-N 3.06Å; L35-R37 VanDerWaalsContact C-N 3.33Å; L35-R37 PolarHBondContact O-N 2.82Å; L35-S39 WeakPolarHBondContact O-CB 3.21Å; L35-S39 PolarHBondContact O-N 3.49Å; L35-S39 PolarHBondContact O-OG 3.28Å; L35-T45 HydrophobicContact CD1-CG2 4.01Å; L35-T45 HydrophobicContact CG-CG2 3.99Å; L35-K48 HydrophobicContact CD1-CB 4.41Å; L35-K48 HydrophobicContact CD1-CD 4.09Å; L35-K48 HydrophobicContact CD2-CB 3.55Å; L35-L49 HydrophobicContact CD2-CD2 3.65Å; L35-L49 HydrophobicContact CD2-CG 3.72Å; L35-L49 HydrophobicContact CG-CD2 4.14Å; L35-L49 HydrophobicContact CG-CG 4.31Å; L35-Y52 HydrophobicContact CD2-CD2 4.3Å; L35-Y52 HydrophobicContact CD2-CE2 4.27Å
36V80.4Confident74.4Confident3 Ų376.2 Ų76.22%0.01835%0.35CS..Hα-helixtrans-61.2-43177.7177.50000111.3K6 C9 L10 L13 L32 Y33 L49K6-V36 HydrophobicContact CB-CG1 4.24Å; K6-V36 VanDerWaalsContact CD-O 3.29Å; K6-V36 WeakPolarHBondContact CD-O 3.37Å; K6-V36 WeakPolarHBondContact CE-O 3.48Å; K6-V36 HydrophobicContact CG-CG1 4.27Å; K6-V36 WeakPolarHBondContact CG-O 3.45Å; C9-V36 HydrophobicContact CB-CB 4.45Å; C9-V36 HydrophobicContact CB-CG1 3.51Å; C9-V36 HydrophobicContact CB-CG2 3.99Å; L10-V36 HydrophobicContact CD2-CB 4.08Å; L10-V36 HydrophobicContact CD2-CG1 3.91Å; L10-V36 HydrophobicContact CG-CG1 3.84Å; L13-V36 HydrophobicContact CD1-CB 4.46Å; L13-V36 HydrophobicContact CD1-CG2 3.78Å; L32-V36 WeakPolarHBondContact O-CG2 3.05Å; L32-V36 PolarHBondContact O-N 2.83Å; Y33-V36 PolarHBondContact O-N 2.83Å; V36-L49 HydrophobicContact CG2-CD1 4.04Å; V36-L49 HydrophobicContact CG2-CD2 3.36Å; V36-L49 HydrophobicContact CG2-CG 4.35Å
37R81.9Confident74.6Confident140 Ų14075.1 Ų75.153%0.52834%0.342SS..Hα-helixtrans-68.1-48.2-175.3-175.9170.1176.4165.5-6.1111.5K6 Y33 S34 L35K6-R37 PolarHBondContact NZ-O 2.72Å; Y33-R37 HydrophobicContact CE1-CB 4.48Å; Y33-R37 WeakPolarHBondContact O-CB 3.23Å; Y33-R37 PolarHBondContact O-N 3.47Å; Y33-R37 PolarHBondContact OH-NH1 2.91Å; S34-R37 PolarHBondContact O-N 3.48Å; L35-R37 VanDerWaalsContact C-N 3.33Å; L35-R37 PolarHBondContact O-N 2.82Å
38N81.1Confident74.5Confident118 Ų11870.9 Ų70.963%0.63133%0.329SS*.Hα-helixtrans-95.5-24-167.9-58.8-42.5000113.9S34S34-N38 VanDerWaalsContact O-CB 3.23Å; S34-N38 WeakPolarHBondContact O-CB 3.44Å; S34-N38 PolarHBondContact O-N 3.29Å; S34-N38 PolarHBondContact O-ND2 2.77Å; S34-N38 VanDerWaalsContact O-ND2 3.09Å
39S78.9Confident74.8Confident38 Ų3868.3 Ų68.327%0.26632%0.317SS..SBendtrans-94.7148.3-177.8-56.20000112.4K6 L35 T45K6-S39 WeakPolarHBondContact CE-O 3.4Å; K6-S39 PolarHBondContact NZ-O 3.1Å; L35-S39 WeakPolarHBondContact O-CB 3.21Å; L35-S39 PolarHBondContact O-N 3.49Å; L35-S39 PolarHBondContact O-OG 3.28Å; S39-T45 WeakPolarHBondContact CB-OG1 3.34Å
40E79Confident74.8Confident150 Ų15068.3 Ų68.370%0.70132%0.32SS*.  trans-70.1144.1169.7-67.7-168.5134.600110.3N42 T45E40-N42 PolarHBondContact O-N 3.24Å; E40-T45 WeakPolarHBondContact O-CB 3.48Å; E40-T45 PolarHBondContact O-OG1 3.37Å
41P69.7Low74.4Confident24 Ų2467.8 Ų67.816%0.15633%0.326CS..SBendtrans-68.783.4173.730.3-35.1000110.1F5 M77F5-P41 HydrophobicContact CD1-CB 3.48Å; F5-P41 VanDerWaalsContact CD1-CB 3.48Å; F5-P41 HydrophobicContact CD1-CG 4.22Å; F5-P41 HydrophobicContact CE1-CB 3.72Å; F5-P41 HydrophobicContact CG-CB 4.36Å; P41-M77 HydrophobicContact CB-CE 4.42Å; P41-M77 HydrophobicContact CG-CE 3.97Å
42N70.8Confident73.9Confident70 Ų7068.3 Ų68.337%0.37432%0.323SS..  trans-116168.71736333.8000109.5E40 E44 T45 L46E40-N42 PolarHBondContact O-N 3.24Å; N42-E44 PolarHBondContact O-N 2.87Å; N42-E44 VanDerWaalsContact O-N 3.12Å; N42-E44 PolarHBondContact OD1-N 2.82Å; N42-T45 PolarHBondContact O-N 3.35Å; N42-T45 VanDerWaalsContact O-N 3.09Å; N42-T45 PolarHBondContact OD1-N 2.66Å; N42-T45 PolarHBondContact OD1-OG1 3Å; N42-L46 VanDerWaalsContact O-CG 3.29Å; N42-L46 WeakPolarHBondContact O-CG 3.33Å; N42-L46 PolarHBondContact O-N 3.31Å
43R69.6Low73.2Confident183 Ų18369.1 Ų69.169%0.69133%0.33SS*.Hα-helixtrans-51.1-39.4-177.1-175.1172.2-178.3-171-7.3113.2Y47R43-Y47 HydrophobicContact CG-CD2 3.75Å; R43-Y47 HydrophobicContact CG-CE2 3.41Å; R43-Y47 VanDerWaalsContact CG-CE2 3.41Å; R43-Y47 VanDerWaalsContact NE-CE2 3.3Å; R43-Y47 PolarHBondContact NE-OH 2.98Å; R43-Y47 PolarHBondContact NH2-OH 3.15Å; R43-Y47 WeakPolarHBondContact O-CD2 3.43Å; R43-Y47 PolarHBondContact O-N 3.35Å
44E73.2Confident72.3Confident114 Ų11468.9 Ų68.953%0.53333%0.329SS..Hα-helixtrans-67.8-47.1179-169.6-167.2152.600112.5N42 L46 Y47 K48N42-E44 PolarHBondContact O-N 2.87Å; N42-E44 VanDerWaalsContact O-N 3.12Å; N42-E44 PolarHBondContact OD1-N 2.82Å; E44-L46 VanDerWaalsContact C-N 3.27Å; E44-L46 PolarHBondContact O-N 3.3Å; E44-Y47 PolarHBondContact O-N 3.29Å; E44-K48 HydrophobicContact CG-CD 4.48Å; E44-K48 PolarHBondContact O-N 2.91Å; E44-K48 WeakPolarHBondContact OE1-CE 3.43Å; E44-K48 IonicContact OE1-NZ 2.66Å; E44-K48 PolarHBondContact OE1-NZ 3.18Å
45T72.6Confident71Confident8 Ų869.9 Ų69.95%0.04934%0.336CS..Hα-helixtrans-60.9-40.8176.9-580000110.5L35 S39 E40 N42 K48 L49L35-T45 HydrophobicContact CD1-CG2 4.01Å; L35-T45 HydrophobicContact CG-CG2 3.99Å; S39-T45 WeakPolarHBondContact CB-OG1 3.34Å; E40-T45 WeakPolarHBondContact O-CB 3.48Å; E40-T45 PolarHBondContact O-OG1 3.37Å; N42-T45 PolarHBondContact O-N 3.35Å; N42-T45 VanDerWaalsContact O-N 3.09Å; N42-T45 PolarHBondContact OD1-N 2.66Å; N42-T45 PolarHBondContact OD1-OG1 3Å; T45-K48 PolarHBondContact O-N 3.35Å; T45-L49 HydrophobicContact CG2-CD1 4.11Å; T45-L49 HydrophobicContact CG2-CG 4.48Å; T45-L49 WeakPolarHBondContact O-CB 3.05Å; T45-L49 WeakPolarHBondContact O-CG 3.3Å; T45-L49 PolarHBondContact O-N 2.96Å
46L68.3Low69.7Low9 Ų969.8 Ų69.85%0.04734%0.336CS..Hα-helixtrans-64.2-40.5175.5-65.9-178.7000112.5F5 N42 E44 L49 N50 I70 A74F5-L46 HydrophobicContact CE1-CD2 3.67Å; F5-L46 HydrophobicContact CE2-CD2 4.29Å; F5-L46 HydrophobicContact CZ-CD2 3.28Å; N42-L46 VanDerWaalsContact O-CG 3.29Å; N42-L46 WeakPolarHBondContact O-CG 3.33Å; N42-L46 PolarHBondContact O-N 3.31Å; E44-L46 VanDerWaalsContact C-N 3.27Å; E44-L46 PolarHBondContact O-N 3.3Å; L46-L49 HydrophobicContact CD2-CD1 4.38Å; L46-N50 WeakPolarHBondContact O-CB 3.3Å; L46-N50 PolarHBondContact O-N 2.9Å; L46-I70 HydrophobicContact CB-CG2 3.66Å; L46-I70 HydrophobicContact CD1-CG2 4.25Å; L46-I70 HydrophobicContact CD2-CB 4.34Å; L46-I70 HydrophobicContact CD2-CG1 4.29Å; L46-I70 HydrophobicContact CD2-CG2 3.7Å; L46-I70 HydrophobicContact CG-CG2 4.04Å; L46-A74 HydrophobicContact CD1-CB 3.7Å
47Y70.9Confident68.5Low136 Ų13677.6 Ų77.653%0.53338%0.377SS..Hα-helixtrans-65.8-41.9173.2-82.6-61.2000112.8R43 E44 N50 S51R43-Y47 HydrophobicContact CG-CD2 3.75Å; R43-Y47 HydrophobicContact CG-CE2 3.41Å; R43-Y47 VanDerWaalsContact CG-CE2 3.41Å; R43-Y47 VanDerWaalsContact NE-CE2 3.3Å; R43-Y47 PolarHBondContact NE-OH 2.98Å; R43-Y47 PolarHBondContact NH2-OH 3.15Å; R43-Y47 WeakPolarHBondContact O-CD2 3.43Å; R43-Y47 PolarHBondContact O-N 3.35Å; E44-Y47 PolarHBondContact O-N 3.29Å; Y47-N50 WeakPolarHBondContact O-CB 3.19Å; Y47-N50 PolarHBondContact O-N 3.45Å; Y47-S51 PolarHBondContact O-N 3.32Å
48K68.5Low67Low93 Ų9376.7 Ų76.740%0.40438%0.383SS..Hα-helixtrans-60.8-51.1176.1-76.5171.4169.7167.20110.5L35 E44 T45 N50 S51 Y52L35-K48 HydrophobicContact CD1-CB 4.41Å; L35-K48 HydrophobicContact CD1-CD 4.09Å; L35-K48 HydrophobicContact CD2-CB 3.55Å; E44-K48 HydrophobicContact CG-CD 4.48Å; E44-K48 PolarHBondContact O-N 2.91Å; E44-K48 WeakPolarHBondContact OE1-CE 3.43Å; E44-K48 IonicContact OE1-NZ 2.66Å; E44-K48 PolarHBondContact OE1-NZ 3.18Å; T45-K48 PolarHBondContact O-N 3.35Å; K48-N50 PolarHBondContact O-N 3.1Å; K48-S51 WeakPolarHBondContact O-CB 3.21Å; K48-S51 PolarHBondContact O-N 2.89Å; K48-S51 VanDerWaalsContact O-N 3.11Å; K48-Y52 WeakPolarHBondContact O-CD2 2.9Å; K48-Y52 PolarHBondContact O-N 2.6Å
49L70.6Confident65.6Low1 Ų171.6 Ų71.61%0.00536%0.356CS..Hα-helixtrans-56.1-41.4176.8-71.1167.9000112.4L32 L35 V36 T45 L46 A53 F66 I70L32-L49 HydrophobicContact CD2-CD2 3.63Å; L35-L49 HydrophobicContact CD2-CD2 3.65Å; L35-L49 HydrophobicContact CD2-CG 3.72Å; L35-L49 HydrophobicContact CG-CD2 4.14Å; L35-L49 HydrophobicContact CG-CG 4.31Å; V36-L49 HydrophobicContact CG2-CD1 4.04Å; V36-L49 HydrophobicContact CG2-CD2 3.36Å; V36-L49 HydrophobicContact CG2-CG 4.35Å; T45-L49 HydrophobicContact CG2-CD1 4.11Å; T45-L49 HydrophobicContact CG2-CG 4.48Å; T45-L49 WeakPolarHBondContact O-CB 3.05Å; T45-L49 WeakPolarHBondContact O-CG 3.3Å; T45-L49 PolarHBondContact O-N 2.96Å; L46-L49 HydrophobicContact CD2-CD1 4.38Å; L49-A53 PolarHBondContact O-N 3.46Å; L49-A53 VanDerWaalsContact O-N 3.15Å; L49-F66 HydrophobicContact CB-CE1 3.8Å; L49-F66 HydrophobicContact CD1-CE1 3.95Å; L49-F66 HydrophobicContact CD1-CZ 4.19Å; L49-F66 HydrophobicContact CD2-CE1 4.28Å; L49-F66 HydrophobicContact CD2-CZ 4.4Å; L49-F66 HydrophobicContact CG-CE1 4.22Å; L49-I70 HydrophobicContact CB-CD1 4.14Å
50N66.7Low64.2Low39 Ų3972.9 Ų72.921%0.20936%0.364CS..Hα-helixtrans-60.7-55174.7-173.1-63.7000109.9L46 Y47 K48 Y52 A53 Y54 I70L46-N50 WeakPolarHBondContact O-CB 3.3Å; L46-N50 PolarHBondContact O-N 2.9Å; Y47-N50 WeakPolarHBondContact O-CB 3.19Å; Y47-N50 PolarHBondContact O-N 3.45Å; K48-N50 PolarHBondContact O-N 3.1Å; N50-Y52 VanDerWaalsContact C-N 3.29Å; N50-Y52 PolarHBondContact O-N 3.01Å; N50-A53 WeakPolarHBondContact O-CA 3.34Å; N50-A53 WeakPolarHBondContact O-CB 3.46Å; N50-A53 PolarHBondContact O-N 3.41Å; N50-Y54 VanDerWaalsContact CG-CE2 3.45Å; N50-Y54 WeakPolarHBondContact O-CD2 3.43Å; N50-Y54 PolarHBondContact O-N 2.85Å; N50-Y54 VanDerWaalsContact O-N 3.13Å; N50-Y54 WeakPolarHBondContact OD1-CD2 3.14Å; N50-Y54 WeakPolarHBondContact OD1-CE2 3.44Å; N50-I70 HydrophobicContact CB-CD1 4.29Å
51S66.4Low62.6Low77 Ų7773.6 Ų73.654%0.53837%0.367SS..Hα-helixtrans-52.7-41.6179.4-1710000113.9Y47 K48 Y54 S55Y47-S51 PolarHBondContact O-N 3.32Å; K48-S51 WeakPolarHBondContact O-CB 3.21Å; K48-S51 PolarHBondContact O-N 2.89Å; K48-S51 VanDerWaalsContact O-N 3.11Å; S51-Y54 PolarHBondContact O-N 3.31Å; S51-S55 PolarHBondContact O-N 3.2Å; S51-S55 VanDerWaalsContact O-N 3.1Å
52Y65.6Low61.4Low81 Ų8177.8 Ų77.832%0.31839%0.393SS..Hα-helixtrans-69.4-33.4176.9-78.9-72.6000113.1L32 L35 K48 N50 Y54 S55L32-Y52 HydrophobicContact CD2-CD2 3.87Å; L32-Y52 HydrophobicContact CD2-CG 3.79Å; L32-Y52 HydrophobicContact CG-CD1 4.41Å; L32-Y52 HydrophobicContact CG-CD2 4.32Å; L32-Y52 HydrophobicContact CG-CG 3.92Å; L35-Y52 HydrophobicContact CD2-CD2 4.3Å; L35-Y52 HydrophobicContact CD2-CE2 4.27Å; K48-Y52 WeakPolarHBondContact O-CD2 2.9Å; K48-Y52 PolarHBondContact O-N 2.6Å; N50-Y52 VanDerWaalsContact C-N 3.29Å; N50-Y52 PolarHBondContact O-N 3.01Å; Y52-Y54 PolarHBondContact O-N 2.82Å; Y52-S55 PolarHBondContact O-OG 3.04Å
53A62.4Low60.1Low21 Ų2177.2 Ų77.217%0.17439%0.387CS..Hα-helixtrans-72-16.8174.200000112.9L49 N50 Y64L49-A53 PolarHBondContact O-N 3.46Å; L49-A53 VanDerWaalsContact O-N 3.15Å; N50-A53 WeakPolarHBondContact O-CA 3.34Å; N50-A53 WeakPolarHBondContact O-CB 3.46Å; N50-A53 PolarHBondContact O-N 3.41Å; A53-Y64 WeakPolarHBondContact O-CE1 3.05Å
54Y59.5Low59.2Low69 Ų6971 Ų7127%0.27136%0.364SS..Hα-helixtrans-107.9-4.3-178.2-75-72.1000114.7N50 S51 Y52 D56 Y64 K67N50-Y54 VanDerWaalsContact CG-CE2 3.45Å; N50-Y54 WeakPolarHBondContact O-CD2 3.43Å; N50-Y54 PolarHBondContact O-N 2.85Å; N50-Y54 VanDerWaalsContact O-N 3.13Å; N50-Y54 WeakPolarHBondContact OD1-CD2 3.14Å; N50-Y54 WeakPolarHBondContact OD1-CE2 3.44Å; S51-Y54 PolarHBondContact O-N 3.31Å; Y52-Y54 PolarHBondContact O-N 2.82Å; Y54-D56 PolarHBondContact O-N 3.27Å; Y54-Y64 HydrophobicContact CD1-CD1 4.16Å; Y54-Y64 AromaticContact CD1-CE1 3.41Å; Y54-Y64 HydrophobicContact CD1-CE1 3.41Å; Y54-Y64 VanDerWaalsContact CD1-CE1 3.41Å; Y54-Y64 AromaticContact CD1-CZ 3.73Å; Y54-Y64 AromaticContact CE1-CD1 3.55Å; Y54-Y64 HydrophobicContact CE1-CD1 3.55Å; Y54-Y64 HydrophobicContact CE1-CD2 4.36Å; Y54-Y64 AromaticContact CE1-CE1 3.22Å; Y54-Y64 HydrophobicContact CE1-CE1 3.22Å; Y54-Y64 HydrophobicContact CE1-CE2 4.09Å; Y54-Y64 HydrophobicContact CE1-CG 4.17Å; Y54-Y64 AromaticContact CE1-CZ 3.57Å; Y54-Y64 HydrophobicContact CG-CE1 4.22Å; Y54-Y64 AromaticContact CZ-CD1 3.77Å; Y54-Y64 AromaticContact CZ-CE1 3.89Å; Y54-K67 WeakPolarHBondContact OH-CD 3.05Å; Y54-K67 WeakPolarHBondContact OH-CE 2.93Å; Y54-K67 WeakPolarHBondContact OH-CG 3.48Å; Y54-K67 PolarHBondContact OH-NZ 3.29Å
55S54.4Low58Low73 Ų7369 Ų6951%0.5136%0.36SS..SBendtrans-76.5-0.2-176.851.80000114.3S51 Y52S51-S55 PolarHBondContact O-N 3.2Å; S51-S55 VanDerWaalsContact O-N 3.1Å; Y52-S55 PolarHBondContact O-OG 3.04Å
56D53.5Low57Low18 Ų1869 Ų6910%0.09636%0.359CS..  trans-126.6107.3-179.2-164.2-13.9000111S23 T24 Y54 N58 V59S23-D56 WeakPolarHBondContact CB-OD2 3.2Å; S23-D56 PolarHBondContact OG-OD2 2.81Å; T24-D56 HydrophobicContact CG2-CB 3.49Å; T24-D56 VanDerWaalsContact CG2-CB 3.49Å; T24-D56 WeakPolarHBondContact CG2-OD2 3.34Å; Y54-D56 PolarHBondContact O-N 3.27Å; D56-N58 PolarHBondContact O-N 2.88Å; D56-N58 WeakPolarHBondContact OD1-CB 3.49Å; D56-N58 VanDerWaalsContact OD1-CG 3.27Å; D56-N58 PolarHBondContact OD1-N 2.78Å; D56-N58 PolarHBondContact OD1-ND2 3.08Å; D56-V59 HydrophobicContact CB-CG2 4Å; D56-V59 PolarHBondContact O-N 3.05Å; D56-V59 VanDerWaalsContact O-N 3.07Å
57D55.7Low56.3Low167 Ų16772.4 Ų72.489%0.89337%0.374SS*.THydrogen-bonded Turntrans-58.1-13.2173.1-66.9-45.9000112.5
58N50.4Low55.6Low121 Ų12169.8 Ų69.865%0.64737%0.374SS*.THydrogen-bonded Turntrans-85-7.8177.6-55.8-65.8000114D56 P60D56-N58 PolarHBondContact O-N 2.88Å; D56-N58 WeakPolarHBondContact OD1-CB 3.49Å; D56-N58 VanDerWaalsContact OD1-CG 3.27Å; D56-N58 PolarHBondContact OD1-N 2.78Å; D56-N58 PolarHBondContact OD1-ND2 3.08Å; N58-P60 VanDerWaalsContact O-CD 3.25Å; N58-P60 WeakPolarHBondContact O-CD 3.41Å
59V50.3Low55.1Low11 Ų1168.4 Ų68.47%0.06737%0.37CS..SBendtrans-79.5112.4176.6174.50000108.7V21 D56 E61 H63 Y64V21-V59 HydrophobicContact CG1-CB 4.4Å; V21-V59 HydrophobicContact CG1-CG1 3.68Å; V21-V59 HydrophobicContact CG1-CG2 4.28Å; V21-V59 WeakPolarHBondContact O-CG2 3.17Å; D56-V59 HydrophobicContact CB-CG2 4Å; D56-V59 PolarHBondContact O-N 3.05Å; D56-V59 VanDerWaalsContact O-N 3.07Å; V59-E61 PolarHBondContact O-N 3.43Å; V59-H63 HydrophobicContact CG1-CB 4.12Å; V59-Y64 HydrophobicContact CG1-CE1 4.46Å
60P49.4Very low54.5Low65 Ų6568.8 Ų68.842%0.42237%0.372SS..  trans-59.7141.5-179.8-17.528.9000110.3N58 T62 H63N58-P60 VanDerWaalsContact O-CD 3.25Å; N58-P60 WeakPolarHBondContact O-CD 3.41Å; P60-T62 PolarHBondContact O-N 2.84Å; P60-H63 PolarHBondContact O-N 3.08Å
61E47.2Very low53.9Low165 Ų16571.3 Ų71.377%0.77138%0.384SS*.G310 helixtrans-58.4-22.7-174.4-53-166.1150.300114.3V59 H63 Y64V59-E61 PolarHBondContact O-N 3.43Å; E61-H63 PolarHBondContact O-N 3.38Å; E61-Y64 HydrophobicContact CB-CD2 3.76Å; E61-Y64 HydrophobicContact CB-CE2 3.76Å; E61-Y64 HydrophobicContact CG-CD2 4.36Å; E61-Y64 HydrophobicContact CG-CE2 3.88Å; E61-Y64 WeakPolarHBondContact O-CB 3.1Å; E61-Y64 WeakPolarHBondContact O-CD2 3.41Å; E61-Y64 PolarHBondContact O-N 3.41Å
62T44Very low53.6Low113 Ų11376.3 Ų76.369%0.69339%0.391SS*.G310 helixtrans-64.8-21.8175.651.60000113.4P60P60-T62 PolarHBondContact O-N 2.84Å
63H43.9Very low53.3Low57 Ų5774.1 Ų74.126%0.26438%0.383SS..G310 helixtrans-95.121.8172.5-61.2-78000112.4Y16 V21 V59 P60 E61 T65Y16-H63 HydrophobicContact CE1-CB 4.02Å; Y16-H63 WeakPolarHBondContact CE1-O 3.19Å; Y16-H63 PolarHBondContact OH-O 2.96Å; V21-H63 HydrophobicContact CG1-CB 3.53Å; V21-H63 HydrophobicContact CG2-CB 4.35Å; V21-H63 VanDerWaalsContact CG2-CD2 3.41Å; V21-H63 WeakPolarHBondContact CG2-CD2 3.23Å; V21-H63 WeakPolarHBondContact CG2-CE1 3.44Å; V21-H63 WeakPolarHBondContact CG2-ND1 3.17Å; V21-H63 VanDerWaalsContact CG2-NE2 3.35Å; V21-H63 WeakPolarHBondContact CG2-NE2 3.35Å; V59-H63 HydrophobicContact CG1-CB 4.12Å; P60-H63 PolarHBondContact O-N 3.08Å; E61-H63 PolarHBondContact O-N 3.38Å; H63-T65 PolarHBondContact O-N 3.42Å
64Y49.9Very low53Low52 Ų5275.5 Ų75.520%0.20440%0.395CS..  trans-83.628.7163.2-66.6-58.9000112.6A53 Y54 V59 E61 F66 K67 P68A53-Y64 WeakPolarHBondContact O-CE1 3.05Å; Y54-Y64 HydrophobicContact CD1-CD1 4.16Å; Y54-Y64 AromaticContact CD1-CE1 3.41Å; Y54-Y64 HydrophobicContact CD1-CE1 3.41Å; Y54-Y64 VanDerWaalsContact CD1-CE1 3.41Å; Y54-Y64 AromaticContact CD1-CZ 3.73Å; Y54-Y64 AromaticContact CE1-CD1 3.55Å; Y54-Y64 HydrophobicContact CE1-CD1 3.55Å; Y54-Y64 HydrophobicContact CE1-CD2 4.36Å; Y54-Y64 AromaticContact CE1-CE1 3.22Å; Y54-Y64 HydrophobicContact CE1-CE1 3.22Å; Y54-Y64 HydrophobicContact CE1-CE2 4.09Å; Y54-Y64 HydrophobicContact CE1-CG 4.17Å; Y54-Y64 AromaticContact CE1-CZ 3.57Å; Y54-Y64 HydrophobicContact CG-CE1 4.22Å; Y54-Y64 AromaticContact CZ-CD1 3.77Å; Y54-Y64 AromaticContact CZ-CE1 3.89Å; V59-Y64 HydrophobicContact CG1-CE1 4.46Å; E61-Y64 HydrophobicContact CB-CD2 3.76Å; E61-Y64 HydrophobicContact CB-CE2 3.76Å; E61-Y64 HydrophobicContact CG-CD2 4.36Å; E61-Y64 HydrophobicContact CG-CE2 3.88Å; E61-Y64 WeakPolarHBondContact O-CB 3.1Å; E61-Y64 WeakPolarHBondContact O-CD2 3.41Å; E61-Y64 PolarHBondContact O-N 3.41Å; Y64-F66 PolarHBondContact O-N 3.07Å; Y64-F66 VanDerWaalsContact O-N 3.08Å; Y64-K67 WeakPolarHBondContact O-CB 3.46Å; Y64-K67 PolarHBondContact O-N 3.21Å; Y64-P68 WeakPolarHBondContact O-CD 3.47Å
65T48.6Very low52.9Low72 Ų7279.8 Ų79.844%0.44242%0.417SS..THydrogen-bonded Turntrans-59.8-19.9177.648.30000113.2Y16 H63 K67 P68Y16-T65 WeakPolarHBondContact CE2-OG1 3.01Å; Y16-T65 PolarHBondContact OH-N 3.09Å; Y16-T65 PolarHBondContact OH-OG1 2.88Å; H63-T65 PolarHBondContact O-N 3.42Å; T65-K67 VanDerWaalsContact C-N 3.33Å; T65-P68 WeakPolarHBondContact O-CD 3.35Å
66F51.4Low53Low8 Ų881 Ų814%0.03542%0.422CS..Hα-helixtrans-70.4-29.4173-149.6-107.2000112C9 C12 Y16 L49 Y64 L69 I70C9-F66 HydrophobicContact CB-CE2 3.66Å; C9-F66 HydrophobicContact CB-CZ 3.59Å; C9-F66 WeakPolarHBondContact SG-CZ 3.38Å; C12-F66 HydrophobicContact CB-CD2 3.66Å; C12-F66 HydrophobicContact CB-CE2 3.97Å; Y16-F66 PolarHBondContact OH-N 3.48Å; L49-F66 HydrophobicContact CB-CE1 3.8Å; L49-F66 HydrophobicContact CD1-CE1 3.95Å; L49-F66 HydrophobicContact CD1-CZ 4.19Å; L49-F66 HydrophobicContact CD2-CE1 4.28Å; L49-F66 HydrophobicContact CD2-CZ 4.4Å; L49-F66 HydrophobicContact CG-CE1 4.22Å; Y64-F66 PolarHBondContact O-N 3.07Å; Y64-F66 VanDerWaalsContact O-N 3.08Å; F66-L69 PolarHBondContact O-N 3.04Å; F66-I70 HydrophobicContact CD1-CD1 3.04Å; F66-I70 HydrophobicContact CD1-CG1 3.38Å; F66-I70 HydrophobicContact CE1-CD1 3.31Å; F66-I70 HydrophobicContact CE1-CG1 3.34Å; F66-I70 HydrophobicContact CG-CD1 4.15Å; F66-I70 HydrophobicContact CG-CG1 4.28Å; F66-I70 HydrophobicContact CZ-CG1 4.34Å; F66-I70 WeakPolarHBondContact O-CB 3.41Å; F66-I70 VanDerWaalsContact O-CG1 3.27Å; F66-I70 WeakPolarHBondContact O-CG1 3.25Å; F66-I70 PolarHBondContact O-N 2.87Å
67K53.3Low52.8Low82 Ų8287.5 Ų87.536%0.35745%0.454SS..Hα-helixtrans-66.1-50.3-177-170.3-159.3-151.31570112.5Y54 Y64 T65 L69 I70 M71Y54-K67 WeakPolarHBondContact OH-CD 3.05Å; Y54-K67 WeakPolarHBondContact OH-CE 2.93Å; Y54-K67 WeakPolarHBondContact OH-CG 3.48Å; Y54-K67 PolarHBondContact OH-NZ 3.29Å; Y64-K67 WeakPolarHBondContact O-CB 3.46Å; Y64-K67 PolarHBondContact O-N 3.21Å; T65-K67 VanDerWaalsContact C-N 3.33Å; K67-L69 VanDerWaalsContact C-N 3.26Å; K67-L69 PolarHBondContact O-N 3.27Å; K67-I70 PolarHBondContact O-N 3.37Å; K67-M71 HydrophobicContact CD-CE 4.42Å; K67-M71 HydrophobicContact CD-SD 4.06Å; K67-M71 HydrophobicContact CG-CE 4.35Å; K67-M71 HydrophobicContact CG-CG 4.2Å; K67-M71 HydrophobicContact CG-SD 3.78Å; K67-M71 WeakPolarHBondContact O-CB 3.5Å; K67-M71 VanDerWaalsContact O-CG 3.28Å; K67-M71 WeakPolarHBondContact O-CG 3.47Å; K67-M71 PolarHBondContact O-N 3.18Å
68P55.3Low52.6Low81 Ų8183.6 Ų83.653%0.52643%0.432SS..Hα-helixtrans-60.1-36174.7-24.333.7000112.7Y64 T65 R72Y64-P68 WeakPolarHBondContact O-CD 3.47Å; T65-P68 WeakPolarHBondContact O-CD 3.35Å; P68-R72 WeakPolarHBondContact O-CB 3.15Å; P68-R72 PolarHBondContact O-N 3.1Å
69L58.4Low52.7Low64 Ų6481.6 Ų81.634%0.33542%0.42SS..Hα-helixtrans-71.7-46.6-179.8-70.4170000112.2I8 C12 F66 K67 H73I8-L69 HydrophobicContact CG2-CD1 3.79Å; I8-L69 HydrophobicContact CG2-CD2 4.28Å; C12-L69 VanDerWaalsContact SG-CD1 3.54Å; F66-L69 PolarHBondContact O-N 3.04Å; K67-L69 VanDerWaalsContact C-N 3.26Å; K67-L69 PolarHBondContact O-N 3.27Å; L69-H73 WeakPolarHBondContact O-CB 3.48Å; L69-H73 PolarHBondContact O-N 3.11Å
70I58.7Low52.9Low8 Ų885.5 Ų85.54%0.04144%0.44CS..Hα-helixtrans-58.9-52.3171.5-68.4166.6000110.1L46 L49 N50 F66 K67 R72 H73 A74L46-I70 HydrophobicContact CB-CG2 3.66Å; L46-I70 HydrophobicContact CD1-CG2 4.25Å; L46-I70 HydrophobicContact CD2-CB 4.34Å; L46-I70 HydrophobicContact CD2-CG1 4.29Å; L46-I70 HydrophobicContact CD2-CG2 3.7Å; L46-I70 HydrophobicContact CG-CG2 4.04Å; L49-I70 HydrophobicContact CB-CD1 4.14Å; N50-I70 HydrophobicContact CB-CD1 4.29Å; F66-I70 HydrophobicContact CD1-CD1 3.04Å; F66-I70 HydrophobicContact CD1-CG1 3.38Å; F66-I70 HydrophobicContact CE1-CD1 3.31Å; F66-I70 HydrophobicContact CE1-CG1 3.34Å; F66-I70 HydrophobicContact CG-CD1 4.15Å; F66-I70 HydrophobicContact CG-CG1 4.28Å; F66-I70 HydrophobicContact CZ-CG1 4.34Å; F66-I70 WeakPolarHBondContact O-CB 3.41Å; F66-I70 VanDerWaalsContact O-CG1 3.27Å; F66-I70 WeakPolarHBondContact O-CG1 3.25Å; F66-I70 PolarHBondContact O-N 2.87Å; K67-I70 PolarHBondContact O-N 3.37Å; I70-R72 PolarHBondContact O-N 2.86Å; I70-H73 PolarHBondContact O-N 2.93Å; I70-A74 WeakPolarHBondContact O-CB 2.96Å; I70-A74 PolarHBondContact O-N 2.92Å
71M54.4Low53.1Low92 Ų9286.7 Ų86.745%0.45344%0.441SS..Hα-helixtrans-62.8-44-176.2-76.7-176.414900111.5K67 H73 A74 Q75K67-M71 HydrophobicContact CD-CE 4.42Å; K67-M71 HydrophobicContact CD-SD 4.06Å; K67-M71 HydrophobicContact CG-CE 4.35Å; K67-M71 HydrophobicContact CG-CG 4.2Å; K67-M71 HydrophobicContact CG-SD 3.78Å; K67-M71 WeakPolarHBondContact O-CB 3.5Å; K67-M71 VanDerWaalsContact O-CG 3.28Å; K67-M71 WeakPolarHBondContact O-CG 3.47Å; K67-M71 PolarHBondContact O-N 3.18Å; M71-H73 VanDerWaalsContact C-N 3.32Å; M71-H73 PolarHBondContact O-N 3.22Å; M71-A74 PolarHBondContact O-N 2.71Å; M71-Q75 VanDerWaalsContact O-CG 3.27Å; M71-Q75 WeakPolarHBondContact O-CG 3.14Å; M71-Q75 PolarHBondContact O-N 3.02Å
72R60.3Low53.4Low183 Ų18381.8 Ų81.869%0.69142%0.42SS*.Hα-helixtrans-62-41.9176.2-175.9173.3-179.5142.50.9110.9P68 I70 Q75 T76P68-R72 WeakPolarHBondContact O-CB 3.15Å; P68-R72 PolarHBondContact O-N 3.1Å; I70-R72 PolarHBondContact O-N 2.86Å; R72-Q75 PolarHBondContact O-N 3.13Å; R72-T76 HydrophobicContact CG-CG2 4.45Å; R72-T76 VanDerWaalsContact O-CG2 3.29Å; R72-T76 WeakPolarHBondContact O-CG2 2.94Å; R72-T76 PolarHBondContact O-N 2.94Å; R72-T76 VanDerWaalsContact O-N 3.08Å; R72-T76 PolarHBondContact O-OG1 3.07Å; R72-T76 VanDerWaalsContact O-OG1 3.1Å
73H58.9Low54.1Low35 Ų3579.7 Ų79.716%0.16240%0.402CS..Hα-helixtrans-65.5-43.8177.3-16456.6000112.5F5 L69 I70 M71 Q75 T76 M77F5-H73 WeakPolarHBondContact CB-NE2 3.44Å; F5-H73 AromaticContact CD1-CD2 3.67Å; F5-H73 AromaticContact CD1-NE2 3.8Å; F5-H73 HydrophobicContact CD2-CB 3.48Å; F5-H73 VanDerWaalsContact CD2-CB 3.48Å; F5-H73 AromaticContact CD2-CD2 3.19Å; F5-H73 WeakPolarHBondContact CD2-CD2 2.82Å; F5-H73 AromaticContact CD2-CE1 3.99Å; F5-H73 AromaticContact CD2-CG 3.19Å; F5-H73 AromaticContact CD2-ND1 3.72Å; F5-H73 AromaticContact CD2-NE2 3.69Å; F5-H73 AromaticContact CE1-CD2 3.94Å; F5-H73 HydrophobicContact CE2-CB 3.36Å; F5-H73 AromaticContact CE2-CD2 3.51Å; F5-H73 AromaticContact CE2-CG 3.53Å; F5-H73 HydrophobicContact CG-CB 4.44Å; F5-H73 AromaticContact CG-CD2 3.26Å; F5-H73 WeakPolarHBondContact CG-CD2 3.18Å; F5-H73 AromaticContact CG-CE1 3.85Å; F5-H73 AromaticContact CG-CG 3.72Å; F5-H73 AromaticContact CG-NE2 3.32Å; F5-H73 VanDerWaalsContact CG-NE2 3.32Å; F5-H73 WeakPolarHBondContact CG-NE2 3.19Å; F5-H73 HydrophobicContact CZ-CB 4.25Å; F5-H73 AromaticContact CZ-CD2 3.86Å; L69-H73 WeakPolarHBondContact O-CB 3.48Å; L69-H73 PolarHBondContact O-N 3.11Å; I70-H73 PolarHBondContact O-N 2.93Å; M71-H73 VanDerWaalsContact C-N 3.32Å; M71-H73 PolarHBondContact O-N 3.22Å; H73-Q75 PolarHBondContact O-N 3.46Å; H73-T76 WeakPolarHBondContact CA-OG1 3.18Å; H73-T76 PolarHBondContact O-N 2.56Å; H73-T76 VanDerWaalsContact O-N 3.16Å; H73-T76 PolarHBondContact O-OG1 3.24Å; H73-M77 WeakPolarHBondContact CE1-CE 3.13Å; H73-M77 WeakPolarHBondContact NE2-CE 3.48Å; H73-M77 PolarHBondContact O-N 3.47Å
74A56.1Low54.8Low50 Ų5081.4 Ų81.441%0.41341%0.412SS..Hα-helixtrans-60.1-28.4175.600000113.6L46 I70 M71L46-A74 HydrophobicContact CD1-CB 3.7Å; I70-A74 WeakPolarHBondContact O-CB 2.96Å; I70-A74 PolarHBondContact O-N 2.92Å; M71-A74 PolarHBondContact O-N 2.71Å
75Q56.2Low55.2Low158 Ų15883.6 Ų83.674%0.73843%0.428SS*.Hα-helixtrans-86.3-23.8177.8-72.3173.6-20.300113.3M71 R72 H73M71-Q75 VanDerWaalsContact O-CG 3.27Å; M71-Q75 WeakPolarHBondContact O-CG 3.14Å; M71-Q75 PolarHBondContact O-N 3.02Å; R72-Q75 PolarHBondContact O-N 3.13Å; H73-Q75 PolarHBondContact O-N 3.46Å
76T57.7Low55.7Low100 Ų10084.6 Ų84.661%0.61343%0.427SS*.Hα-helixtrans-91.2-6.1-179.755.30000114.2R72 H73R72-T76 HydrophobicContact CG-CG2 4.45Å; R72-T76 VanDerWaalsContact O-CG2 3.29Å; R72-T76 WeakPolarHBondContact O-CG2 2.94Å; R72-T76 PolarHBondContact O-N 2.94Å; R72-T76 VanDerWaalsContact O-N 3.08Å; R72-T76 PolarHBondContact O-OG1 3.07Å; R72-T76 VanDerWaalsContact O-OG1 3.1Å; H73-T76 WeakPolarHBondContact CA-OG1 3.18Å; H73-T76 PolarHBondContact O-N 2.56Å; H73-T76 VanDerWaalsContact O-N 3.16Å; H73-T76 PolarHBondContact O-OG1 3.24Å
77M48.3Very low56.1Low154 Ų15491.5 Ų91.576%0.75946%0.463SS*.  trans-990170.9-73.5-179.5156.200109.7P41 H73P41-M77 HydrophobicContact CB-CE 4.42Å; P41-M77 HydrophobicContact CG-CE 3.97Å; H73-M77 WeakPolarHBondContact CE1-CE 3.13Å; H73-M77 WeakPolarHBondContact NE2-CE 3.48Å; H73-M77 PolarHBondContact O-N 3.47Å

Retrieved 77 of 77 residues in 67.6 ms (Link to these results)

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