A0A087XDP9_POEFO Loading...

SEC22 homolog C, vesicle trafficking protein

May be involved in vesicle transport between the ER and the Golgi complex.

AlphaFold DB , UniProt , Accession A0A087XDP9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 300 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
1M70.6Confident93.2Very high211 Ų21133.8 Ų33.8100%1.03918%0.176SC*.  0134.30-78.6174.577.800107.8
2S85.5Confident93.5Very high56 Ų5633.1 Ų33.139%0.39217%0.174SC..  trans-69.4128.3175.9-54.30000110
3L92.9Very high93.5Very high53 Ų5342.8 Ų42.828%0.27721%0.207SC..SBendtrans-95-28.3177.1-63.8179.3000111.9C74 H75 S77 L78 N127L3-C74 CarbonylContact O-C 3.52Å; L3-C74 WeakPolarHBondContact O-CA 3.44Å; L3-C74 WeakPolarHBondContact O-CB 3.36Å; L3-H75 HydrophobicContact CD2-CB 4.02Å; L3-H75 PolarHBondContact O-N 3.29Å; L3-S77 WeakPolarHBondContact CD2-OG 3.48Å; L3-L78 HydrophobicContact CB-CB 4.31Å; L3-L78 HydrophobicContact CB-CD1 3.95Å; L3-L78 HydrophobicContact CD1-CD1 3.84Å; L3-N127 PolarHBondContact N-OD1 3.39Å
4I95.1Very high93.4Very high2 Ų244.6 Ų44.61%0.0122%0.218CC..EExtended strand (participates in β ladder)trans-104.8113.6172.8-56.2-176.3000107.8L78 F86 K123 Y126 N127I4-L78 HydrophobicContact CD1-CD2 4.26Å; I4-L78 HydrophobicContact CG1-CD2 3.74Å; I4-F86 HydrophobicContact CD1-CB 3.77Å; I4-F86 HydrophobicContact CD1-CD1 4.16Å; I4-F86 HydrophobicContact CD1-CD2 3.68Å; I4-F86 HydrophobicContact CD1-CE2 4.34Å; I4-F86 HydrophobicContact CD1-CG 3.58Å; I4-F86 HydrophobicContact CG2-CD1 4.28Å; I4-F86 HydrophobicContact CG2-CE1 4Å; I4-F86 HydrophobicContact CG2-CE2 4.28Å; I4-F86 HydrophobicContact CG2-CZ 4Å; I4-K123 HydrophobicContact CG2-CG 4.07Å; I4-Y126 HydrophobicContact CD1-CD1 3.99Å; I4-Y126 HydrophobicContact CD1-CG 3.98Å; I4-N127 PolarHBondContact N-OD1 3.22Å; I4-N127 PolarHBondContact O-ND2 3.39Å
5L94.9Very high93.5Very high15 Ų1541.9 Ų41.98%0.07921%0.207CC..EExtended strand (participates in β ladder)trans-102.4-39.8-167.8-60122.2000112.2E25 L30 L58 V73 K123L5-E25 VanDerWaalsContact CD2-OE2 3.3Å; L5-E25 WeakPolarHBondContact CD2-OE2 3.41Å; L5-L30 HydrophobicContact CB-CD1 3.86Å; L5-L30 HydrophobicContact CB-CD2 4.31Å; L5-L58 HydrophobicContact CD1-CD1 4.33Å; L5-L58 HydrophobicContact CD1-CD2 3.33Å; L5-L58 HydrophobicContact CD1-CG 4.42Å; L5-V73 PolarHBondContact N-O 3.05Å; L5-K123 WeakPolarHBondContact O-CE 3.3Å; L5-K123 PolarHBondContact O-NZ 2.86Å
6F96.5Very high93.7Very high16 Ų1640.8 Ų40.87%0.0720%0.202CC..EExtended strand (participates in β ladder)trans-145.6142.8-175.4-178.4-107.3000110.7F8 A20 S21 L30 K34 L37 S72 V73F6-F8 HydrophobicContact CD1-CB 4.34Å; F6-F8 HydrophobicContact CE1-CB 3.67Å; F6-F8 HydrophobicContact CE1-CD2 4.41Å; F6-F8 HydrophobicContact CE1-CG 4.09Å; F6-F8 HydrophobicContact CZ-CB 4.3Å; F6-F8 HydrophobicContact CZ-CD2 4.38Å; F6-A20 HydrophobicContact CE2-CB 4.09Å; F6-A20 HydrophobicContact CZ-CB 3.86Å; F6-S21 VanDerWaalsContact CD2-OG 3.3Å; F6-S21 WeakPolarHBondContact CD2-OG 3.4Å; F6-S21 VanDerWaalsContact CE2-O 3.25Å; F6-S21 WeakPolarHBondContact CE2-O 3.18Å; F6-L30 HydrophobicContact CB-CD1 4.13Å; F6-K34 HydrophobicContact CD1-CG 3.84Å; F6-K34 HydrophobicContact CD2-CD 4.42Å; F6-K34 VanDerWaalsContact CD2-CE 3.46Å; F6-K34 HydrophobicContact CE1-CG 3.92Å; F6-K34 HydrophobicContact CE2-CD 4.45Å; F6-K34 HydrophobicContact CG-CD 4.48Å; F6-K34 HydrophobicContact CG-CG 4.13Å; F6-K34 HydrophobicContact CZ-CG 4.32Å; F6-L37 HydrophobicContact CD1-CD1 3.74Å; F6-L37 HydrophobicContact CE1-CD1 3.91Å; F6-S72 CarbonylContact O-C 3.43Å; F6-S72 VanDerWaalsContact O-CA 3.24Å; F6-S72 WeakPolarHBondContact O-CA 3.24Å; F6-S72 PolarHBondContact O-OG 3.39Å; F6-V73 HydrophobicContact CB-CB 4.13Å; F6-V73 HydrophobicContact CB-CG2 4.15Å; F6-V73 HydrophobicContact CD1-CG2 4.15Å; F6-V73 PolarHBondContact N-O 3.14Å; F6-V73 PolarHBondContact O-N 3.4Å
7A97.7Very high94Very high0 Ų039.9 Ų39.90%020%0.2CC..EExtended strand (participates in β ladder)trans-130.1145.9173.500000110.4A20 S21 M71 F86 L90 I119 K123A7-A20 WeakPolarHBondContact O-CA 3.42Å; A7-S21 PolarHBondContact N-OG 3.49Å; A7-S21 VanDerWaalsContact N-OG 3.12Å; A7-S21 PolarHBondContact O-N 3.49Å; A7-M71 CarbonylContact C-O 3.53Å; A7-M71 WeakPolarHBondContact CA-O 3.5Å; A7-F86 HydrophobicContact CB-CE1 3.88Å; A7-F86 HydrophobicContact CB-CZ 3.81Å; A7-L90 HydrophobicContact CB-CD2 4.22Å; A7-I119 HydrophobicContact CB-CG2 3.59Å; A7-K123 HydrophobicContact CB-CD 4.4Å
8F98Very high94.2Very high2 Ų237.7 Ų37.71%0.00919%0.189CC..EExtended strand (participates in β ladder)trans-145.1125.4-169.4-169-142.1000110.2F6 V10 P17 A20 L37 R38 M71 Y110F6-F8 HydrophobicContact CD1-CB 4.34Å; F6-F8 HydrophobicContact CE1-CB 3.67Å; F6-F8 HydrophobicContact CE1-CD2 4.41Å; F6-F8 HydrophobicContact CE1-CG 4.09Å; F6-F8 HydrophobicContact CZ-CB 4.3Å; F6-F8 HydrophobicContact CZ-CD2 4.38Å; F8-V10 HydrophobicContact CD1-CG1 3.5Å; F8-V10 HydrophobicContact CD2-CG1 4.1Å; F8-V10 HydrophobicContact CE1-CG1 3.15Å; F8-V10 HydrophobicContact CE2-CG1 3.8Å; F8-V10 HydrophobicContact CG-CG1 3.98Å; F8-V10 HydrophobicContact CZ-CG1 3.31Å; F8-P17 HydrophobicContact CE2-CB 3.86Å; F8-P17 HydrophobicContact CE2-CG 4.36Å; F8-P17 HydrophobicContact CZ-CB 4.02Å; F8-P17 HydrophobicContact CZ-CG 4.03Å; F8-A20 HydrophobicContact CD2-CB 3.89Å; F8-A20 HydrophobicContact CE2-CB 4.45Å; F8-L37 HydrophobicContact CB-CD1 4.41Å; F8-L37 HydrophobicContact CD1-CB 4.24Å; F8-R38 HydrophobicContact CE1-CG 4.5Å; F8-M71 HydrophobicContact CB-CB 4.35Å; F8-M71 HydrophobicContact CD1-SD 4.12Å; F8-M71 PolarHBondContact N-O 3.07Å; F8-M71 PolarHBondContact O-N 3.27Å; F8-Y110 AromaticContact CE2-CE1 3.96Å; F8-Y110 HydrophobicContact CE2-CE1 3.96Å
9V98.4Very high94.4Very high0 Ų035.7 Ų35.70%018%0.179CC..EExtended strand (participates in β ladder)trans-113.5126.4178.7-172.40000107.8L18 S19 V68 S69 Y70 L90 F94 F115V9-L18 HydrophobicContact CB-CB 4.42Å; V9-L18 HydrophobicContact CG1-CB 4.21Å; V9-L18 HydrophobicContact CG1-CD1 4.36Å; V9-L18 WeakPolarHBondContact O-CA 3.12Å; V9-L18 WeakPolarHBondContact O-CB 3.28Å; V9-L18 PolarHBondContact O-N 3.33Å; V9-S19 PolarHBondContact N-O 3.04Å; V9-S19 PolarHBondContact O-N 3.36Å; V9-V68 HydrophobicContact CG1-CG1 3.51Å; V9-S69 WeakPolarHBondContact CA-O 3.18Å; V9-Y70 HydrophobicContact CG1-CD1 3.98Å; V9-Y70 HydrophobicContact CG1-CE1 3.85Å; V9-Y70 HydrophobicContact CG2-CD1 4.1Å; V9-L90 HydrophobicContact CG2-CD1 4.49Å; V9-L90 HydrophobicContact CG2-CD2 4.18Å; V9-L90 HydrophobicContact CG2-CG 4.39Å; V9-F94 HydrophobicContact CG1-CD1 4.29Å; V9-F94 HydrophobicContact CG1-CD2 4.12Å; V9-F94 HydrophobicContact CG1-CE1 4.12Å; V9-F94 HydrophobicContact CG1-CE2 3.98Å; V9-F94 HydrophobicContact CG1-CG 4.27Å; V9-F94 HydrophobicContact CG1-CZ 3.98Å; V9-F115 HydrophobicContact CG2-CE1 4.44Å
10V98.1Very high94.6Very high0 Ų034.7 Ų34.70%018%0.176CC..EExtended strand (participates in β ladder)trans-136.7152.5-174.5-60.20000111.8F8 L16 L44 V68 S69 M71F8-V10 HydrophobicContact CD1-CG1 3.5Å; F8-V10 HydrophobicContact CD2-CG1 4.1Å; F8-V10 HydrophobicContact CE1-CG1 3.15Å; F8-V10 HydrophobicContact CE2-CG1 3.8Å; F8-V10 HydrophobicContact CG-CG1 3.98Å; F8-V10 HydrophobicContact CZ-CG1 3.31Å; V10-L16 CarbonylContact C-O 3.52Å; V10-L16 WeakPolarHBondContact CA-O 3.32Å; V10-L44 HydrophobicContact CG2-CD1 3.38Å; V10-V68 CarbonylContact O-C 3.57Å; V10-V68 WeakPolarHBondContact O-CA 3.17Å; V10-V68 WeakPolarHBondContact O-CG1 3.37Å; V10-S69 PolarHBondContact N-O 3.35Å; V10-S69 PolarHBondContact O-N 3.46Å; V10-M71 HydrophobicContact CG2-CG 4.49Å; V10-M71 HydrophobicContact CG2-SD 3.9Å
11R97.7Very high94.6Very high17 Ų1733.1 Ų33.16%0.06417%0.169CC..EExtended strand (participates in β ladder)trans-80.9128.1171.9-172.616563.2-162.92109.7R13 D14 G15 L16 L18 I103 S104 A106R11-R13 VanDerWaalsContact CZ-NH2 3.34Å; R11-R13 PolarHBondContact O-N 3.13Å; R11-D14 IonicContact CZ-OD1 3.15Å; R11-D14 IonicContact CZ-OD2 2.87Å; R11-D14 VanDerWaalsContact CZ-OD2 3.31Å; R11-D14 IonicContact NE-OD1 3.5Å; R11-D14 PolarHBondContact NE-OD1 3.3Å; R11-D14 IonicContact NE-OD2 3.94Å; R11-D14 PolarHBondContact NE-OD2 3.18Å; R11-D14 IonicContact NH2-OD1 3.17Å; R11-D14 IonicContact NH2-OD2 3.47Å; R11-D14 PolarHBondContact NH2-OD2 3.47Å; R11-G15 WeakPolarHBondContact O-CA 3.39Å; R11-G15 PolarHBondContact O-N 3.41Å; R11-L16 HydrophobicContact CB-CB 4.2Å; R11-L16 PolarHBondContact N-O 3.37Å; R11-L18 HydrophobicContact CB-CD1 4.23Å; R11-L18 HydrophobicContact CB-CD2 4.22Å; R11-L18 HydrophobicContact CB-CG 4.28Å; R11-I103 PolarHBondContact NH1-O 3.38Å; R11-S104 PolarHBondContact NH1-O 3.5Å; R11-S104 VanDerWaalsContact NH1-O 3.1Å; R11-A106 VanDerWaalsContact CZ-O 3.3Å; R11-A106 PolarHBondContact NH1-O 2.96Å; R11-A106 PolarHBondContact NH2-O 3.07Å
12V96.6Very high95.5Very high25 Ų2526.5 Ų26.515%0.15214%0.14CC..THydrogen-bonded Turntrans-61.5-46.4-174.41700000111.4D14 L44 P45 G67V12-D14 VanDerWaalsContact C-N 3.28Å; V12-D14 PolarHBondContact O-N 2.93Å; V12-D14 VanDerWaalsContact O-N 3.15Å; V12-L44 HydrophobicContact CG1-CB 4.18Å; V12-P45 HydrophobicContact CG1-CG 4.48Å; V12-P45 WeakPolarHBondContact O-CD 3.35Å; V12-P45 WeakPolarHBondContact O-CG 3.24Å; V12-G67 WeakPolarHBondContact CB-O 3.4Å; V12-G67 PolarHBondContact N-O 2.84Å
13R94.1Very high95.2Very high159 Ų15925.8 Ų25.860%0.613%0.132SC*.THydrogen-bonded Turntrans-53.5-40.1-171-176.1-172.866.7-161.9-3.6114.2R11R11-R13 VanDerWaalsContact CZ-NH2 3.34Å; R11-R13 PolarHBondContact O-N 3.13Å
14D92.2Very high94.2Very high68 Ų6832 Ų3236%0.36416%0.157SC..THydrogen-bonded Turntrans-133.92.3-169.847.121.7000113.6R11 V12 L16R11-D14 IonicContact CZ-OD1 3.15Å; R11-D14 IonicContact CZ-OD2 2.87Å; R11-D14 VanDerWaalsContact CZ-OD2 3.31Å; R11-D14 IonicContact NE-OD1 3.5Å; R11-D14 PolarHBondContact NE-OD1 3.3Å; R11-D14 IonicContact NE-OD2 3.94Å; R11-D14 PolarHBondContact NE-OD2 3.18Å; R11-D14 IonicContact NH2-OD1 3.17Å; R11-D14 IonicContact NH2-OD2 3.47Å; R11-D14 PolarHBondContact NH2-OD2 3.47Å; V12-D14 VanDerWaalsContact C-N 3.28Å; V12-D14 PolarHBondContact O-N 2.93Å; V12-D14 VanDerWaalsContact O-N 3.15Å; D14-L16 PolarHBondContact O-N 2.91Å; D14-L16 VanDerWaalsContact OD1-CB 3.29Å; D14-L16 WeakPolarHBondContact OD1-CB 3.32Å; D14-L16 PolarHBondContact OD1-N 3.05Å
15G95.1Very high93.2Very high5 Ų535.9 Ų35.95%0.05218%0.175CC..  trans66.818-175.900000113.8R11 P17 S41R11-G15 WeakPolarHBondContact O-CA 3.39Å; R11-G15 PolarHBondContact O-N 3.41Å; G15-P17 VanDerWaalsContact O-CD 3.3Å; G15-P17 WeakPolarHBondContact O-CD 3.34Å; G15-S41 WeakPolarHBondContact CA-O 3.49Å
16L96.6Very high92Very high23 Ų2344.6 Ų44.612%0.1222%0.215CC..  trans-62.1123.7-178.2-177.571.1000110.2V10 R11 D14 L18 A106 P109V10-L16 CarbonylContact C-O 3.52Å; V10-L16 WeakPolarHBondContact CA-O 3.32Å; R11-L16 HydrophobicContact CB-CB 4.2Å; R11-L16 PolarHBondContact N-O 3.37Å; D14-L16 PolarHBondContact O-N 2.91Å; D14-L16 VanDerWaalsContact OD1-CB 3.29Å; D14-L16 WeakPolarHBondContact OD1-CB 3.32Å; D14-L16 PolarHBondContact OD1-N 3.05Å; L16-L18 HydrophobicContact CD2-CD2 4.39Å; L16-L18 PolarHBondContact O-N 2.91Å; L16-A106 HydrophobicContact CD2-CB 4.15Å; L16-A106 WeakPolarHBondContact CD2-O 3.39Å; L16-P109 HydrophobicContact CD1-CG 4.33Å
17P97.6Very high91.3Very high26 Ų2646.7 Ų46.717%0.16923%0.227CC..EExtended strand (participates in β ladder)trans-61.1121.2172.8-24.936.4000111.4F8 G15 P109 Y110 P111F8-P17 HydrophobicContact CE2-CB 3.86Å; F8-P17 HydrophobicContact CE2-CG 4.36Å; F8-P17 HydrophobicContact CZ-CB 4.02Å; F8-P17 HydrophobicContact CZ-CG 4.03Å; G15-P17 VanDerWaalsContact O-CD 3.3Å; G15-P17 WeakPolarHBondContact O-CD 3.34Å; P17-P109 HydrophobicContact CG-CB 4.48Å; P17-Y110 HydrophobicContact CB-CD1 3.96Å; P17-Y110 HydrophobicContact CB-CD2 4.23Å; P17-Y110 HydrophobicContact CB-CE1 3.61Å; P17-Y110 HydrophobicContact CB-CE2 3.91Å; P17-Y110 HydrophobicContact CB-CG 4.26Å; P17-Y110 HydrophobicContact CG-CE2 4.39Å; P17-Y110 PolarHBondContact O-N 2.55Å; P17-P111 VanDerWaalsContact O-CD 3.32Å; P17-P111 WeakPolarHBondContact O-CD 3.48Å
18L98.1Very high90.8Very high0 Ų053.1 Ų53.10%026%0.255CS..EExtended strand (participates in β ladder)trans-95.5-48.7179-64.4-174.2000111.3V9 R11 L16 V68 F94 I103 Y110 P111 F112V9-L18 HydrophobicContact CB-CB 4.42Å; V9-L18 HydrophobicContact CG1-CB 4.21Å; V9-L18 HydrophobicContact CG1-CD1 4.36Å; V9-L18 WeakPolarHBondContact O-CA 3.12Å; V9-L18 WeakPolarHBondContact O-CB 3.28Å; V9-L18 PolarHBondContact O-N 3.33Å; R11-L18 HydrophobicContact CB-CD1 4.23Å; R11-L18 HydrophobicContact CB-CD2 4.22Å; R11-L18 HydrophobicContact CB-CG 4.28Å; L16-L18 HydrophobicContact CD2-CD2 4.39Å; L16-L18 PolarHBondContact O-N 2.91Å; L18-V68 HydrophobicContact CD1-CG1 4.05Å; L18-V68 HydrophobicContact CD1-CG2 4.13Å; L18-F94 HydrophobicContact CB-CZ 4.21Å; L18-F94 HydrophobicContact CD1-CE1 4.23Å; L18-F94 HydrophobicContact CD1-CZ 3.95Å; L18-I103 HydrophobicContact CD1-CG2 3.79Å; L18-Y110 WeakPolarHBondContact O-CA 3.35Å; L18-P111 HydrophobicContact CD2-CG 4.17Å; L18-P111 WeakPolarHBondContact O-CD 3.36Å; L18-F112 HydrophobicContact CB-CD2 4Å; L18-F112 HydrophobicContact CB-CE2 4.41Å; L18-F112 HydrophobicContact CD2-CD2 4.33Å; L18-F112 HydrophobicContact CD2-CE2 3.96Å; L18-F112 PolarHBondContact O-N 3.06Å
19S98.1Very high90.4Very high0 Ų054.1 Ų54.10%026%0.26CS..EExtended strand (participates in β ladder)trans-157.5161.5175.6-160.90000110.6V9 F112V9-S19 PolarHBondContact N-O 3.04Å; V9-S19 PolarHBondContact O-N 3.36Å; S19-F112 WeakPolarHBondContact CB-O 3.37Å; S19-F112 PolarHBondContact OG-O 2.82Å
20A97.5Very high90Very high15 Ų1554.1 Ų54.112%0.12426%0.26CS..EExtended strand (participates in β ladder)trans-152.3153.6176.300000110.9F6 A7 F8 Y110F6-A20 HydrophobicContact CE2-CB 4.09Å; F6-A20 HydrophobicContact CZ-CB 3.86Å; A7-A20 WeakPolarHBondContact O-CA 3.42Å; F8-A20 HydrophobicContact CD2-CB 3.89Å; F8-A20 HydrophobicContact CE2-CB 4.45Å; A20-Y110 HydrophobicContact CB-CD1 4.35Å; A20-Y110 HydrophobicContact CB-CE1 3.76Å
21S96.1Very high89.7Confident3 Ų358.7 Ų58.72%0.02128%0.281CS..  trans-71.4129.3171.7720000111F6 A7 D116 K123F6-S21 VanDerWaalsContact CD2-OG 3.3Å; F6-S21 WeakPolarHBondContact CD2-OG 3.4Å; F6-S21 VanDerWaalsContact CE2-O 3.25Å; F6-S21 WeakPolarHBondContact CE2-O 3.18Å; A7-S21 PolarHBondContact N-OG 3.49Å; A7-S21 VanDerWaalsContact N-OG 3.12Å; A7-S21 PolarHBondContact O-N 3.49Å; S21-D116 VanDerWaalsContact CA-OD1 3.22Å; S21-D116 WeakPolarHBondContact CA-OD1 3.43Å; S21-K123 PolarHBondContact OG-NZ 3.32Å; S21-K123 VanDerWaalsContact OG-NZ 3.08Å
22T89.3Confident89.3Confident72 Ų7262.2 Ų62.244%0.44230%0.298SS..  trans-66.4135.4166-56.30000110.4F24 D116 Q120T22-F24 HydrophobicContact CG2-CE1 4.48Å; T22-F24 HydrophobicContact CG2-CE2 4.16Å; T22-F24 HydrophobicContact CG2-CZ 3.93Å; T22-D116 VanDerWaalsContact CB-OD2 3.28Å; T22-D116 WeakPolarHBondContact CB-OD2 3.3Å; T22-D116 PolarHBondContact N-OD1 2.61Å; T22-D116 PolarHBondContact N-OD2 3.29Å; T22-D116 PolarHBondContact OG1-OD2 2.76Å; T22-Q120 VanDerWaalsContact N-NE2 3.12Å; T22-Q120 PolarHBondContact O-NE2 2.91Å
23D78.9Confident89.1Confident40 Ų4061.8 Ų61.821%0.21429%0.294CS..  trans-138.2145.817771.2-60.4000111.8K34D23-K34 WeakPolarHBondContact OD1-CE 3.48Å; D23-K34 IonicContact OD1-NZ 2.91Å; D23-K34 PolarHBondContact OD1-NZ 3.04Å; D23-K34 WeakPolarHBondContact OD2-CE 3.35Å; D23-K34 IonicContact OD2-NZ 3.18Å; D23-K34 PolarHBondContact OD2-NZ 3.49Å
24F72.1Confident89.1Confident183 Ų18355.1 Ų55.180%0.80327%0.269SS*.  trans-111.32.5-179.9-59-77.7000112.3T22 H26T22-F24 HydrophobicContact CG2-CE1 4.48Å; T22-F24 HydrophobicContact CG2-CE2 4.16Å; T22-F24 HydrophobicContact CG2-CZ 3.93Å; F24-H26 PolarHBondContact O-N 2.83Å
25E73.2Confident89Confident84 Ų8456.8 Ų56.839%0.39328%0.275SS..  trans-74.3115.7-177.8-70.7-168-167.600111.6L5 N27 L30L5-E25 VanDerWaalsContact CD2-OE2 3.3Å; L5-E25 WeakPolarHBondContact CD2-OE2 3.41Å; E25-N27 VanDerWaalsContact C-N 3.27Å; E25-N27 PolarHBondContact O-N 3.28Å; E25-L30 HydrophobicContact CB-CD2 4.17Å
26H70.3Confident88.9Confident199 Ų19959.1 Ų59.192%0.92128%0.284SS*.  trans-83.269.8171.8-87.971.2000110.8F24F24-H26 PolarHBondContact O-N 2.83Å
27N82.7Confident88.7Confident60 Ų6058.1 Ų58.132%0.32128%0.279SS..  trans-108.6121.4172.6-179.6-32.3000110.3E25 E29 L30 Q31E25-N27 VanDerWaalsContact C-N 3.27Å; E25-N27 PolarHBondContact O-N 3.28Å; N27-E29 PolarHBondContact O-N 2.8Å; N27-E29 WeakPolarHBondContact OD1-CB 3.5Å; N27-E29 PolarHBondContact OD1-N 3.07Å; N27-L30 HydrophobicContact CB-CB 3.8Å; N27-L30 WeakPolarHBondContact O-CB 3.23Å; N27-L30 PolarHBondContact O-N 2.98Å; N27-L30 PolarHBondContact OD1-N 2.72Å; N27-Q31 WeakPolarHBondContact O-CG 3.25Å; N27-Q31 PolarHBondContact O-N 2.68Å; N27-Q31 VanDerWaalsContact O-N 3.14Å
28K86.8Confident88.4Confident135 Ų13562.6 Ų62.659%0.58729%0.292SS*.Hα-helixtrans-57.6-47.3-179.2-176.4-177.4172.9-173.90112.3L30 Q31 E32K28-L30 VanDerWaalsContact C-N 3.31Å; K28-L30 PolarHBondContact O-N 3.05Å; K28-Q31 PolarHBondContact O-N 2.91Å; K28-E32 WeakPolarHBondContact CE-OE1 3.4Å; K28-E32 WeakPolarHBondContact O-CG 3.33Å; K28-E32 PolarHBondContact O-N 2.98Å; K28-E32 VanDerWaalsContact O-N 3.09Å
29E88.1Confident88.1Confident23 Ų2364 Ų6411%0.10730%0.301CS..Hα-helixtrans-64.2-38.3179-172.8-179.4175.400110.9N27 Q31 E32 R33 K57 L58N27-E29 PolarHBondContact O-N 2.8Å; N27-E29 WeakPolarHBondContact OD1-CB 3.5Å; N27-E29 PolarHBondContact OD1-N 3.07Å; E29-Q31 VanDerWaalsContact C-N 3.31Å; E29-Q31 PolarHBondContact O-N 3.44Å; E29-E32 WeakPolarHBondContact O-CB 3.49Å; E29-E32 PolarHBondContact O-N 2.69Å; E29-R33 HydrophobicContact CG-CG 4.47Å; E29-R33 WeakPolarHBondContact O-CG 3.37Å; E29-R33 PolarHBondContact O-N 2.79Å; E29-R33 IonicContact OE1-NE 2.72Å; E29-R33 IonicContact OE1-NH2 2.71Å; E29-K57 PolarHBondContact OE1-N 3.08Å; E29-K57 VanDerWaalsContact OE2-CB 3.3Å; E29-K57 WeakPolarHBondContact OE2-CB 3.15Å; E29-K57 PolarHBondContact OE2-N 3.35Å; E29-L58 HydrophobicContact CB-CD1 4.24Å; E29-L58 HydrophobicContact CG-CB 4.33Å; E29-L58 HydrophobicContact CG-CD1 4.04Å; E29-L58 HydrophobicContact CG-CG 4.12Å; E29-L58 PolarHBondContact OE1-N 3.3Å
30L90.8Very high87.8Confident0 Ų064.2 Ų64.20%030%0.302CS..Hα-helixtrans-60.9-41176.5-179.260.7000111.7L5 F6 E25 N27 K28 R33 K34 L58 V73L5-L30 HydrophobicContact CB-CD1 3.86Å; L5-L30 HydrophobicContact CB-CD2 4.31Å; F6-L30 HydrophobicContact CB-CD1 4.13Å; E25-L30 HydrophobicContact CB-CD2 4.17Å; N27-L30 HydrophobicContact CB-CB 3.8Å; N27-L30 WeakPolarHBondContact O-CB 3.23Å; N27-L30 PolarHBondContact O-N 2.98Å; N27-L30 PolarHBondContact OD1-N 2.72Å; K28-L30 VanDerWaalsContact C-N 3.31Å; K28-L30 PolarHBondContact O-N 3.05Å; L30-R33 PolarHBondContact O-N 3.13Å; L30-K34 WeakPolarHBondContact O-CG 3.45Å; L30-K34 PolarHBondContact O-N 2.84Å; L30-L58 HydrophobicContact CB-CD1 3.92Å; L30-L58 HydrophobicContact CD1-CD1 4.17Å; L30-V73 HydrophobicContact CD1-CB 4.03Å; L30-V73 HydrophobicContact CD1-CG1 3.79Å; L30-V73 HydrophobicContact CD1-CG2 4.39Å
31Q91.1Very high87.7Confident96 Ų9663.7 Ų63.745%0.44930%0.298SS..Hα-helixtrans-66.5-39.3176.5-61-57.6-30.700111.9N27 K28 E29 K34 Q35N27-Q31 WeakPolarHBondContact O-CG 3.25Å; N27-Q31 PolarHBondContact O-N 2.68Å; N27-Q31 VanDerWaalsContact O-N 3.14Å; K28-Q31 PolarHBondContact O-N 2.91Å; E29-Q31 VanDerWaalsContact C-N 3.31Å; E29-Q31 PolarHBondContact O-N 3.44Å; Q31-K34 PolarHBondContact O-N 3.45Å; Q31-Q35 PolarHBondContact O-N 3.35Å
32E90.9Very high87.4Confident90 Ų9067.6 Ų67.642%0.42131%0.314SS..Hα-helixtrans-61.5-44.4173.5-70.2165.8-173.900111.1K28 E29 K34 Q35 Q36K28-E32 WeakPolarHBondContact CE-OE1 3.4Å; K28-E32 WeakPolarHBondContact O-CG 3.33Å; K28-E32 PolarHBondContact O-N 2.98Å; K28-E32 VanDerWaalsContact O-N 3.09Å; E29-E32 WeakPolarHBondContact O-CB 3.49Å; E29-E32 PolarHBondContact O-N 2.69Å; E32-K34 PolarHBondContact O-N 2.9Å; E32-Q35 WeakPolarHBondContact O-CB 3.43Å; E32-Q35 PolarHBondContact O-N 3.38Å; E32-Q35 VanDerWaalsContact O-N 3.17Å; E32-Q36 WeakPolarHBondContact O-CG 3.47Å; E32-Q36 PolarHBondContact O-N 3.01Å
33R91.8Very high87.5Confident17 Ų1764.4 Ų64.46%0.06430%0.295CS..Hα-helixtrans-63.5-38.9176-68.4-53.7-178.9-166-14.4113.7E29 L30 Q35 Q36 L37 K54 Q56 L58 I60 V73E29-R33 HydrophobicContact CG-CG 4.47Å; E29-R33 WeakPolarHBondContact O-CG 3.37Å; E29-R33 PolarHBondContact O-N 2.79Å; E29-R33 IonicContact OE1-NE 2.72Å; E29-R33 IonicContact OE1-NH2 2.71Å; L30-R33 PolarHBondContact O-N 3.13Å; R33-Q35 VanDerWaalsContact C-N 3.29Å; R33-Q35 PolarHBondContact O-N 2.93Å; R33-Q36 VanDerWaalsContact CD-OE1 3.23Å; R33-Q36 PolarHBondContact O-N 3.46Å; R33-L37 WeakPolarHBondContact O-CB 3.25Å; R33-L37 PolarHBondContact O-N 3.36Å; R33-K54 PolarHBondContact NH1-O 2.79Å; R33-Q56 VanDerWaalsContact NH2-N 3.12Å; R33-L58 HydrophobicContact CG-CB 3.83Å; R33-L58 HydrophobicContact CG-CD1 4.31Å; R33-L58 PolarHBondContact NE-O 3.33Å; R33-L58 PolarHBondContact NH2-O 3.13Å; R33-I60 HydrophobicContact CB-CD1 4.35Å; R33-I60 HydrophobicContact CB-CG1 4.42Å; R33-V73 HydrophobicContact CB-CG1 3.8Å; R33-V73 HydrophobicContact CB-CG2 3.92Å; R33-V73 HydrophobicContact CG-CG1 4.01Å
34K93.2Very high88.1Confident18 Ų1862.7 Ų62.78%0.07829%0.286CS..Hα-helixtrans-64.1-37.5173.8-73.7171176.9179.60112.2F6 D23 L30 Q31 E32 L37 R38F6-K34 HydrophobicContact CD1-CG 3.84Å; F6-K34 HydrophobicContact CD2-CD 4.42Å; F6-K34 VanDerWaalsContact CD2-CE 3.46Å; F6-K34 HydrophobicContact CE1-CG 3.92Å; F6-K34 HydrophobicContact CE2-CD 4.45Å; F6-K34 HydrophobicContact CG-CD 4.48Å; F6-K34 HydrophobicContact CG-CG 4.13Å; F6-K34 HydrophobicContact CZ-CG 4.32Å; D23-K34 WeakPolarHBondContact OD1-CE 3.48Å; D23-K34 IonicContact OD1-NZ 2.91Å; D23-K34 PolarHBondContact OD1-NZ 3.04Å; D23-K34 WeakPolarHBondContact OD2-CE 3.35Å; D23-K34 IonicContact OD2-NZ 3.18Å; D23-K34 PolarHBondContact OD2-NZ 3.49Å; L30-K34 WeakPolarHBondContact O-CG 3.45Å; L30-K34 PolarHBondContact O-N 2.84Å; Q31-K34 PolarHBondContact O-N 3.45Å; E32-K34 PolarHBondContact O-N 2.9Å; K34-L37 WeakPolarHBondContact O-CB 3.48Å; K34-L37 PolarHBondContact O-N 2.97Å; K34-R38 WeakPolarHBondContact O-CG 3.47Å; K34-R38 PolarHBondContact O-N 2.87Å; K34-R38 VanDerWaalsContact O-N 3.13Å
35Q91.6Very high89Confident104 Ų10457.6 Ų57.649%0.48627%0.271SS..Hα-helixtrans-65.7-44174.9-173.557.132.900110.7Q31 E32 R33 L37 R38 T39Q31-Q35 PolarHBondContact O-N 3.35Å; E32-Q35 WeakPolarHBondContact O-CB 3.43Å; E32-Q35 PolarHBondContact O-N 3.38Å; E32-Q35 VanDerWaalsContact O-N 3.17Å; R33-Q35 VanDerWaalsContact C-N 3.29Å; R33-Q35 PolarHBondContact O-N 2.93Å; Q35-L37 VanDerWaalsContact C-N 3.34Å; Q35-L37 PolarHBondContact O-N 3.48Å; Q35-R38 WeakPolarHBondContact O-CB 3.31Å; Q35-R38 PolarHBondContact O-N 3.15Å; Q35-T39 PolarHBondContact O-N 3.13Å; Q35-T39 VanDerWaalsContact O-N 3.09Å; Q35-T39 PolarHBondContact O-OG1 3.05Å
36Q91.6Very high89.8Confident54 Ų5461.5 Ų61.525%0.25228%0.282SS..Hα-helixtrans-59.2-42.9173.1-71.4-178.9-22.800112.3E32 R33 R38 T39 I40 I60E32-Q36 WeakPolarHBondContact O-CG 3.47Å; E32-Q36 PolarHBondContact O-N 3.01Å; R33-Q36 VanDerWaalsContact CD-OE1 3.23Å; R33-Q36 PolarHBondContact O-N 3.46Å; Q36-R38 VanDerWaalsContact C-N 3.29Å; Q36-R38 PolarHBondContact O-N 3.2Å; Q36-T39 WeakPolarHBondContact O-CB 3.42Å; Q36-T39 PolarHBondContact O-N 3.26Å; Q36-T39 VanDerWaalsContact O-N 3.07Å; Q36-I40 WeakPolarHBondContact O-CD1 3.43Å; Q36-I40 VanDerWaalsContact O-CG1 3.25Å; Q36-I40 WeakPolarHBondContact O-CG1 3.18Å; Q36-I40 PolarHBondContact O-N 3.04Å; Q36-I60 HydrophobicContact CB-CD1 3.92Å
37L93.1Very high90.8Very high1 Ų153.8 Ų53.81%0.00525%0.248CC..Hα-helixtrans-54.8-43.5174.3-91174.1000112.3F6 F8 R33 K34 Q35 I40 S41 I60 M71 V73F6-L37 HydrophobicContact CD1-CD1 3.74Å; F6-L37 HydrophobicContact CE1-CD1 3.91Å; F8-L37 HydrophobicContact CB-CD1 4.41Å; F8-L37 HydrophobicContact CD1-CB 4.24Å; R33-L37 WeakPolarHBondContact O-CB 3.25Å; R33-L37 PolarHBondContact O-N 3.36Å; K34-L37 WeakPolarHBondContact O-CB 3.48Å; K34-L37 PolarHBondContact O-N 2.97Å; Q35-L37 VanDerWaalsContact C-N 3.34Å; Q35-L37 PolarHBondContact O-N 3.48Å; L37-I40 PolarHBondContact O-N 2.97Å; L37-S41 WeakPolarHBondContact O-CB 3.38Å; L37-S41 PolarHBondContact O-N 3.33Å; L37-I60 HydrophobicContact CD2-CG1 4.5Å; L37-I60 HydrophobicContact CD2-CG2 3.45Å; L37-I60 VanDerWaalsContact CD2-CG2 3.45Å; L37-I60 HydrophobicContact CG-CD1 4.03Å; L37-I60 HydrophobicContact CG-CG1 4.18Å; L37-I60 HydrophobicContact CG-CG2 4.06Å; L37-M71 HydrophobicContact CD2-CB 3.49Å; L37-M71 VanDerWaalsContact CD2-CB 3.49Å; L37-M71 HydrophobicContact CD2-CE 3.42Å; L37-M71 VanDerWaalsContact CD2-CE 3.42Å; L37-M71 HydrophobicContact CD2-CG 4.17Å; L37-M71 HydrophobicContact CD2-SD 3.65Å; L37-V73 HydrophobicContact CD1-CG2 3.41Å; L37-V73 VanDerWaalsContact CD1-CG2 3.41Å; L37-V73 HydrophobicContact CG-CG2 4.33Å
38R91.9Very high91.2Very high120 Ų12052.6 Ų52.645%0.45324%0.243SC..Hα-helixtrans-64.5-40.5176.1-68.4171.8-179.8174.9-1.2111.6F8 K34 Q35 Q36 S41F8-R38 HydrophobicContact CE1-CG 4.5Å; K34-R38 WeakPolarHBondContact O-CG 3.47Å; K34-R38 PolarHBondContact O-N 2.87Å; K34-R38 VanDerWaalsContact O-N 3.13Å; Q35-R38 WeakPolarHBondContact O-CB 3.31Å; Q35-R38 PolarHBondContact O-N 3.15Å; Q36-R38 VanDerWaalsContact C-N 3.29Å; Q36-R38 PolarHBondContact O-N 3.2Å; R38-S41 PolarHBondContact O-N 2.9Å; R38-S41 PolarHBondContact O-OG 3.14Å
39T91.1Very high91.5Very high29 Ų2952.4 Ų52.418%0.17824%0.244CC..Hα-helixtrans-63.7-45.9175.9-54.30000111.4Q35 Q36 S41 K42 V158 N162Q35-T39 PolarHBondContact O-N 3.13Å; Q35-T39 VanDerWaalsContact O-N 3.09Å; Q35-T39 PolarHBondContact O-OG1 3.05Å; Q36-T39 WeakPolarHBondContact O-CB 3.42Å; Q36-T39 PolarHBondContact O-N 3.26Å; Q36-T39 VanDerWaalsContact O-N 3.07Å; T39-S41 VanDerWaalsContact C-N 3.32Å; T39-S41 PolarHBondContact O-N 3.42Å; T39-K42 PolarHBondContact O-N 2.92Å; T39-V158 HydrophobicContact CG2-CG1 4.05Å; T39-N162 WeakPolarHBondContact CG2-ND2 3.45Å; T39-N162 PolarHBondContact O-ND2 3.42Å
40I92.6Very high91.8Very high5 Ų552.6 Ų52.63%0.02624%0.244CC..Hα-helixtrans-61.8-40.4176.5-65.3159.6000110.7Q36 L37 K42 S43 L44 L47 V53 I60 M71 V158Q36-I40 WeakPolarHBondContact O-CD1 3.43Å; Q36-I40 VanDerWaalsContact O-CG1 3.25Å; Q36-I40 WeakPolarHBondContact O-CG1 3.18Å; Q36-I40 PolarHBondContact O-N 3.04Å; L37-I40 PolarHBondContact O-N 2.97Å; I40-K42 PolarHBondContact O-N 3.41Å; I40-K42 VanDerWaalsContact O-N 3.12Å; I40-S43 PolarHBondContact O-N 3.47Å; I40-S43 PolarHBondContact O-OG 2.95Å; I40-L44 PolarHBondContact O-N 3.2Å; I40-L44 VanDerWaalsContact O-N 3.11Å; I40-L47 HydrophobicContact CG2-CD1 3.69Å; I40-V53 HydrophobicContact CD1-CB 4.42Å; I40-V53 HydrophobicContact CD1-CG2 3.6Å; I40-I60 HydrophobicContact CD1-CD1 4.04Å; I40-I60 HydrophobicContact CD1-CG2 4.48Å; I40-M71 HydrophobicContact CB-CE 4.12Å; I40-M71 HydrophobicContact CG2-CE 3.53Å; I40-V158 HydrophobicContact CG1-CG1 4.03Å
41S93.6Very high91.9Very high4 Ų452.6 Ų52.63%0.02824%0.244CC..Hα-helixtrans-57.5-32-177.971.50000113.2G15 L37 R38 T39G15-S41 WeakPolarHBondContact CA-O 3.49Å; L37-S41 WeakPolarHBondContact O-CB 3.38Å; L37-S41 PolarHBondContact O-N 3.33Å; R38-S41 PolarHBondContact O-N 2.9Å; R38-S41 PolarHBondContact O-OG 3.14Å; T39-S41 VanDerWaalsContact C-N 3.32Å; T39-S41 PolarHBondContact O-N 3.42Å
42K91.3Very high92.2Very high85 Ų8548.7 Ų48.737%0.3723%0.226SC..Hα-helixtrans-76.4-24.7178.6-65.3172.1-179.1168.10113.2T39 I40 E170T39-K42 PolarHBondContact O-N 2.92Å; I40-K42 PolarHBondContact O-N 3.41Å; I40-K42 VanDerWaalsContact O-N 3.12Å; K42-E170 IonicContact NZ-OE1 2.62Å; K42-E170 PolarHBondContact NZ-OE1 3.17Å; K42-E170 IonicContact NZ-OE2 2.9Å; K42-E170 PolarHBondContact NZ-OE2 3.48Å
43S90.8Very high92.3Very high5 Ų544.5 Ų44.54%0.03521%0.207CC..Hα-helixtrans-98.5-1.6179.561.70000113.6I40 P45 R46 L47 V158I40-S43 PolarHBondContact O-N 3.47Å; I40-S43 PolarHBondContact O-OG 2.95Å; S43-P45 VanDerWaalsContact C-N 3.31Å; S43-P45 VanDerWaalsContact O-N 3.13Å; S43-R46 PolarHBondContact O-N 3.34Å; S43-L47 PolarHBondContact O-N 2.95Å; S43-V158 WeakPolarHBondContact OG-CG1 3.44Å
44L92.3Very high92.3Very high4 Ų450 Ų502%0.02123%0.231CC..G310 helixtrans-47-39179.6-80.8171.4000115.6V10 V12 I40 R46 L47 F62 S69V10-L44 HydrophobicContact CG2-CD1 3.38Å; V12-L44 HydrophobicContact CG1-CB 4.18Å; I40-L44 PolarHBondContact O-N 3.2Å; I40-L44 VanDerWaalsContact O-N 3.11Å; L44-R46 PolarHBondContact O-N 3.25Å; L44-R46 VanDerWaalsContact O-N 3.08Å; L44-L47 PolarHBondContact O-N 2.97Å; L44-L47 VanDerWaalsContact O-N 3.09Å; L44-F62 HydrophobicContact CD2-CD2 4Å; L44-F62 HydrophobicContact CD2-CE2 4.04Å; L44-S69 VanDerWaalsContact CD1-CB 3.41Å
45P91.4Very high92.1Very high76 Ų7650.8 Ų50.849%0.49425%0.245SC..G310 helixtrans-60.2-20.4177.7-25.735.4000114.7V12 S43V12-P45 HydrophobicContact CG1-CG 4.48Å; V12-P45 WeakPolarHBondContact O-CD 3.35Å; V12-P45 WeakPolarHBondContact O-CG 3.24Å; S43-P45 VanDerWaalsContact C-N 3.31Å; S43-P45 VanDerWaalsContact O-N 3.13Å
46R89.1Confident91.9Very high166 Ų16654 Ų5463%0.62626%0.26SS*.G310 helixtrans-104.8-6.4-179.2-58179.1-175.6166.91.9112.5S43 L44 T161S43-R46 PolarHBondContact O-N 3.34Å; L44-R46 PolarHBondContact O-N 3.25Å; L44-R46 VanDerWaalsContact O-N 3.08Å; R46-T161 PolarHBondContact NH1-O 3.48Å
47L90.4Very high91.9Very high38 Ų3857.5 Ų57.520%0.19927%0.274CS..SBendtrans-93.6156.8-178.8-68.2179.7000110.4I40 S43 L44 F62 I153 V158I40-L47 HydrophobicContact CG2-CD1 3.69Å; S43-L47 PolarHBondContact O-N 2.95Å; L44-L47 PolarHBondContact O-N 2.97Å; L44-L47 VanDerWaalsContact O-N 3.09Å; L47-F62 HydrophobicContact CB-CZ 4.4Å; L47-F62 HydrophobicContact CD1-CZ 4.34Å; L47-I153 HydrophobicContact CD2-CD1 4.25Å; L47-I153 HydrophobicContact CD2-CG2 4.09Å; L47-V158 HydrophobicContact CD2-CG2 4.5Å
48P91.5Very high92Very high34 Ų3457.7 Ų57.722%0.22128%0.275CS..  trans-61.1161.5173.427.8-37.9000111.6R50 F62 Q151 I153P48-R50 PolarHBondContact O-N 2.86Å; P48-R50 VanDerWaalsContact O-N 3.16Å; P48-F62 WeakPolarHBondContact O-CE2 3.29Å; P48-Q151 HydrophobicContact CB-CB 4.47Å; P48-Q151 HydrophobicContact CB-CG 4.16Å; P48-Q151 HydrophobicContact CG-CB 3.8Å; P48-Q151 HydrophobicContact CG-CG 4.02Å; P48-I153 HydrophobicContact CG-CD1 3.79Å
49E92.9Very high92.2Very high131 Ų13152.6 Ų52.661%0.61226%0.257SS*.SBendtrans-57.8-32.1178.5-67.6180173.100112.7V63 S64E49-V63 CarbonylContact O-C 3.51Å; E49-V63 WeakPolarHBondContact O-CA 3.46Å; E49-S64 PolarHBondContact O-N 3.29Å
50R94.4Very high92.5Very high28 Ų2851.2 Ų51.211%0.10625%0.248CC..EExtended strand (participates in β ladder)trans-134.7141.517956.317962.4-179.3-5.5111.2P48 F62 F84 D144 R148 Q151P48-R50 PolarHBondContact O-N 2.86Å; P48-R50 VanDerWaalsContact O-N 3.16Å; R50-F62 WeakPolarHBondContact CA-O 3.45Å; R50-F84 HydrophobicContact CB-CE1 4.07Å; R50-D144 IonicContact CZ-OD2 3.66Å; R50-D144 IonicContact NH1-OD2 3.54Å; R50-D144 PolarHBondContact NH1-OD2 3.09Å; R50-D144 IonicContact NH2-OD2 2.7Å; R50-D144 PolarHBondContact NH2-OD2 3.13Å; R50-R148 WeakPolarHBondContact CD-O 3.47Å; R50-R148 PolarHBondContact NH1-O 3.05Å; R50-Q151 PolarHBondContact O-N 3.24Å
51G94.3Very high92.7Very high0 Ų051.1 Ų51.10%025%0.248CC..EExtended strand (participates in β ladder)trans-157.4163.9179.600000114.2F62 Q151G51-F62 VanDerWaalsContact CA-CE1 3.47Å; G51-F62 PolarHBondContact N-O 3.27Å; G51-F62 VanDerWaalsContact N-O 3.07Å; G51-F62 PolarHBondContact O-N 3.08Å; G51-Q151 CarbonylContact C-O 3.59Å; G51-Q151 WeakPolarHBondContact CA-O 3.47Å
52T95.4Very high92.9Very high13 Ų1351 Ų518%0.0825%0.246CC..EExtended strand (participates in β ladder)trans-127.7133.5173.9-59.20000108.6K54 I60 Y61 Q151 L152 I153T52-K54 HydrophobicContact CG2-CG 4.4Å; T52-I60 CarbonylContact C-O 3.58Å; T52-I60 WeakPolarHBondContact CA-O 3.35Å; T52-Y61 HydrophobicContact CG2-CD1 3.82Å; T52-Y61 HydrophobicContact CG2-CE1 3.5Å; T52-Y61 VanDerWaalsContact CG2-CE1 3.5Å; T52-Y61 WeakPolarHBondContact OG1-CD1 3.45Å; T52-Q151 PolarHBondContact N-O 3.09Å; T52-L152 WeakPolarHBondContact O-CA 3.49Å; T52-I153 PolarHBondContact O-N 3.17Å
53V94.6Very high93.2Very high2 Ų247.2 Ų47.21%0.01223%0.231CC..EExtended strand (participates in β ladder)trans-114.3114.8169-1650000107.4I40 N59 I60 I153 S155I40-V53 HydrophobicContact CD1-CB 4.42Å; I40-V53 HydrophobicContact CD1-CG2 3.6Å; V53-N59 WeakPolarHBondContact O-CA 3.26Å; V53-I60 HydrophobicContact CB-CB 4.06Å; V53-I60 HydrophobicContact CB-CD1 4.49Å; V53-I60 HydrophobicContact CG2-CB 4.35Å; V53-I60 HydrophobicContact CG2-CG2 4.49Å; V53-I60 PolarHBondContact N-O 2.98Å; V53-I60 PolarHBondContact O-N 3.45Å; V53-I153 HydrophobicContact CG2-CB 4.05Å; V53-S155 WeakPolarHBondContact CG1-OG 3.45Å
54K92.1Very high93.5Very high132 Ų13247.8 Ų47.857%0.57424%0.235SC*.  trans-79.4156.2-180-72.1-175.4177.6-177.80110.9R33 T52 N59 L152R33-K54 PolarHBondContact NH1-O 2.79Å; T52-K54 HydrophobicContact CG2-CG 4.4Å; K54-N59 WeakPolarHBondContact CA-OD1 3.3Å; K54-L152 HydrophobicContact CB-CD1 4.35Å; K54-L152 HydrophobicContact CD-CD1 4Å; K54-L152 HydrophobicContact CG-CD1 3.77Å
55G87.7Confident93.6Very high35 Ų3549.5 Ų49.536%0.36125%0.247SC..  trans-164.7-129.7135.700000112.4L58 N59G55-L58 PolarHBondContact N-O 3.01Å; G55-N59 PolarHBondContact N-OD1 3.35Å
56Q86.8Confident93.7Very high171 Ų17153.4 Ų53.480%0.79926%0.259SS*.SBendtrans-66.5-70.3-159-64.7-171.915.100113.4R33R33-Q56 VanDerWaalsContact NH2-N 3.12Å
57K92.6Very high94Very high129 Ų12947.5 Ų47.556%0.56125%0.25SC*.SBendtrans-115.5-18.4177.5-54.7179.2179.81770111.9E29 H75 S76E29-K57 PolarHBondContact OE1-N 3.08Å; E29-K57 VanDerWaalsContact OE2-CB 3.3Å; E29-K57 WeakPolarHBondContact OE2-CB 3.15Å; E29-K57 PolarHBondContact OE2-N 3.35Å; K57-H75 CarbonylContact O-C 3.55Å; K57-H75 WeakPolarHBondContact O-CA 3.37Å; K57-S76 WeakPolarHBondContact O-CB 3.33Å; K57-S76 PolarHBondContact O-N 2.84Å; K57-S76 PolarHBondContact O-OG 2.8Å
58L95.3Very high94.3Very high4 Ų445.9 Ų45.92%0.02124%0.241CC..EExtended strand (participates in β ladder)trans-117.5131.4-178.3-56.4-174.2000110.6L5 E29 L30 R33 G55 V73 C74 H75L5-L58 HydrophobicContact CD1-CD1 4.33Å; L5-L58 HydrophobicContact CD1-CD2 3.33Å; L5-L58 HydrophobicContact CD1-CG 4.42Å; E29-L58 HydrophobicContact CB-CD1 4.24Å; E29-L58 HydrophobicContact CG-CB 4.33Å; E29-L58 HydrophobicContact CG-CD1 4.04Å; E29-L58 HydrophobicContact CG-CG 4.12Å; E29-L58 PolarHBondContact OE1-N 3.3Å; L30-L58 HydrophobicContact CB-CD1 3.92Å; L30-L58 HydrophobicContact CD1-CD1 4.17Å; R33-L58 HydrophobicContact CG-CB 3.83Å; R33-L58 HydrophobicContact CG-CD1 4.31Å; R33-L58 PolarHBondContact NE-O 3.33Å; R33-L58 PolarHBondContact NH2-O 3.13Å; G55-L58 PolarHBondContact N-O 3.01Å; L58-V73 HydrophobicContact CB-CG1 3.86Å; L58-V73 HydrophobicContact CD1-CG1 3.97Å; L58-V73 HydrophobicContact CG-CG1 4.41Å; L58-C74 CarbonylContact C-O 3.42Å; L58-C74 VanDerWaalsContact CA-O 3.3Å; L58-C74 WeakPolarHBondContact CA-O 3.42Å; L58-H75 HydrophobicContact CD2-CB 4.42Å
59N95.6Very high94.6Very high13 Ų1344.3 Ų44.37%0.0723%0.231CC..EExtended strand (participates in β ladder)trans-108.8147.7173.2-66.5-24.1000109.7V53 K54 G55 Y61 V73 C74V53-N59 WeakPolarHBondContact O-CA 3.26Å; K54-N59 WeakPolarHBondContact CA-OD1 3.3Å; G55-N59 PolarHBondContact N-OD1 3.35Å; N59-Y61 HydrophobicContact CB-CD2 4.44Å; N59-Y61 HydrophobicContact CB-CE2 3.64Å; N59-Y61 PolarHBondContact ND2-OH 3.15Å; N59-V73 WeakPolarHBondContact O-CA 3.43Å; N59-C74 PolarHBondContact N-O 2.92Å; N59-C74 PolarHBondContact O-N 3.06Å
60I97.2Very high94.9Very high0 Ų038.1 Ų38.10%020%0.202CC..EExtended strand (participates in β ladder)trans-100.5134.4169.9-64162.8000108.3R33 Q36 L37 I40 T52 V53 S72 V73R33-I60 HydrophobicContact CB-CD1 4.35Å; R33-I60 HydrophobicContact CB-CG1 4.42Å; Q36-I60 HydrophobicContact CB-CD1 3.92Å; L37-I60 HydrophobicContact CD2-CG1 4.5Å; L37-I60 HydrophobicContact CD2-CG2 3.45Å; L37-I60 VanDerWaalsContact CD2-CG2 3.45Å; L37-I60 HydrophobicContact CG-CD1 4.03Å; L37-I60 HydrophobicContact CG-CG1 4.18Å; L37-I60 HydrophobicContact CG-CG2 4.06Å; I40-I60 HydrophobicContact CD1-CD1 4.04Å; I40-I60 HydrophobicContact CD1-CG2 4.48Å; T52-I60 CarbonylContact C-O 3.58Å; T52-I60 WeakPolarHBondContact CA-O 3.35Å; V53-I60 HydrophobicContact CB-CB 4.06Å; V53-I60 HydrophobicContact CB-CD1 4.49Å; V53-I60 HydrophobicContact CG2-CB 4.35Å; V53-I60 HydrophobicContact CG2-CG2 4.49Å; V53-I60 PolarHBondContact N-O 2.98Å; V53-I60 PolarHBondContact O-N 3.45Å; I60-S72 WeakPolarHBondContact CA-O 3.4Å; I60-V73 HydrophobicContact CG1-CG2 4.31Å
61Y97.6Very high95.1Very high4 Ų436.8 Ų36.82%0.01620%0.197CC..EExtended strand (participates in β ladder)trans-122.4142.4171.8-58-82.9000108.8T52 N59 M71 S72 C74 V80 A83 F84T52-Y61 HydrophobicContact CG2-CD1 3.82Å; T52-Y61 HydrophobicContact CG2-CE1 3.5Å; T52-Y61 VanDerWaalsContact CG2-CE1 3.5Å; T52-Y61 WeakPolarHBondContact OG1-CD1 3.45Å; N59-Y61 HydrophobicContact CB-CD2 4.44Å; N59-Y61 HydrophobicContact CB-CE2 3.64Å; N59-Y61 PolarHBondContact ND2-OH 3.15Å; Y61-M71 CarbonylContact O-C 3.53Å; Y61-M71 VanDerWaalsContact O-CA 3.25Å; Y61-M71 WeakPolarHBondContact O-CA 3.42Å; Y61-S72 PolarHBondContact N-O 3.39Å; Y61-S72 PolarHBondContact O-N 2.84Å; Y61-C74 HydrophobicContact CD2-CB 4.12Å; Y61-C74 HydrophobicContact CE2-CB 3.9Å; Y61-V80 HydrophobicContact CE1-CG1 4.15Å; Y61-V80 HydrophobicContact CE1-CG2 4.21Å; Y61-A83 HydrophobicContact CD1-CB 4.23Å; Y61-A83 HydrophobicContact CD2-CB 3.61Å; Y61-A83 HydrophobicContact CE1-CB 4.42Å; Y61-A83 HydrophobicContact CE2-CB 3.81Å; Y61-A83 HydrophobicContact CG-CB 3.82Å; Y61-F84 HydrophobicContact CD1-CD2 4.48Å; Y61-F84 AromaticContact CD1-CE2 3.8Å; Y61-F84 HydrophobicContact CD1-CE2 3.8Å; Y61-F84 HydrophobicContact CD1-CZ 4.35Å
62F97.8Very high95.3Very high0 Ų036.9 Ų36.90%020%0.197CC..EExtended strand (participates in β ladder)trans-145152.1172.569.2-88.2000112.8L44 L47 P48 R50 G51 Y70 M71 I153L44-F62 HydrophobicContact CD2-CD2 4Å; L44-F62 HydrophobicContact CD2-CE2 4.04Å; L47-F62 HydrophobicContact CB-CZ 4.4Å; L47-F62 HydrophobicContact CD1-CZ 4.34Å; P48-F62 WeakPolarHBondContact O-CE2 3.29Å; R50-F62 WeakPolarHBondContact CA-O 3.45Å; G51-F62 VanDerWaalsContact CA-CE1 3.47Å; G51-F62 PolarHBondContact N-O 3.27Å; G51-F62 VanDerWaalsContact N-O 3.07Å; G51-F62 PolarHBondContact O-N 3.08Å; F62-Y70 CarbonylContact C-O 3.59Å; F62-Y70 WeakPolarHBondContact CA-O 3.35Å; F62-M71 HydrophobicContact CB-CB 4.02Å; F62-M71 HydrophobicContact CB-CE 3.8Å; F62-M71 HydrophobicContact CB-CG 3.75Å; F62-M71 HydrophobicContact CD1-CE 4.25Å; F62-M71 HydrophobicContact CG-CE 4.07Å; F62-I153 HydrophobicContact CE1-CG1 3.98Å; F62-I153 HydrophobicContact CZ-CG1 4.09Å
63V97.1Very high95.3Very high6 Ų636.2 Ų36.24%0.03619%0.194CC..EExtended strand (participates in β ladder)trans-136.4135.1169.268.10000109E49 S69 Y70 L87E49-V63 CarbonylContact O-C 3.51Å; E49-V63 WeakPolarHBondContact O-CA 3.46Å; V63-S69 CarbonylContact O-C 3.56Å; V63-S69 WeakPolarHBondContact O-CA 3.33Å; V63-S69 PolarHBondContact O-OG 3.08Å; V63-Y70 HydrophobicContact CG1-CD2 4.26Å; V63-Y70 PolarHBondContact N-O 3Å; V63-Y70 PolarHBondContact O-N 3.38Å; V63-L87 HydrophobicContact CB-CD1 4.5Å; V63-L87 HydrophobicContact CG1-CB 3.75Å; V63-L87 HydrophobicContact CG1-CD1 4.24Å
64S96.6Very high95.4Very high17 Ų1736.1 Ų36.112%0.11919%0.193CC..EExtended strand (participates in β ladder)trans-114.1128.9-178.9-53.60000108.9E49 V68 S69E49-S64 PolarHBondContact O-N 3.29Å; S64-V68 CarbonylContact C-O 3.54Å; S64-V68 VanDerWaalsContact CA-O 3.3Å; S64-V68 WeakPolarHBondContact CA-O 3.28Å; S64-S69 WeakPolarHBondContact OG-CB 3.43Å; S64-S69 PolarHBondContact OG-OG 2.97Å
65S94.8Very high95.6Very high41 Ų4132.4 Ų32.429%0.28718%0.177SC..EExtended strand (participates in β ladder)trans-151139-178.8-1690000109.2G67 V68S65-G67 PolarHBondContact O-N 3.23Å; S65-V68 PolarHBondContact N-O 3.09Å; S65-V68 PolarHBondContact O-N 3.32Å
66E93.8Very high95.9Very high158 Ų15833.3 Ų33.374%0.73818%0.178SC*.THydrogen-bonded Turntrans52.533.2175.2-55.9-174.4125.100114.7V68E66-V68 VanDerWaalsContact C-N 3.32Å; E66-V68 PolarHBondContact O-N 3.28Å
67G94.8Very high96.2Very high42 Ų4228.7 Ų28.743%0.43317%0.165SC..THydrogen-bonded Turntrans79.97.8179.500000115.1V12 S65V12-G67 WeakPolarHBondContact CB-O 3.4Å; V12-G67 PolarHBondContact N-O 2.84Å; S65-G67 PolarHBondContact O-N 3.23Å
68V98.1Very high96.3Very high4 Ų423.1 Ų23.12%0.02414%0.141CC..EExtended strand (participates in β ladder)trans-119.5141.6174.1-177.80000109.7V9 V10 L18 S64 S65 E66 Y70 F94 I103V9-V68 HydrophobicContact CG1-CG1 3.51Å; V10-V68 CarbonylContact O-C 3.57Å; V10-V68 WeakPolarHBondContact O-CA 3.17Å; V10-V68 WeakPolarHBondContact O-CG1 3.37Å; L18-V68 HydrophobicContact CD1-CG1 4.05Å; L18-V68 HydrophobicContact CD1-CG2 4.13Å; S64-V68 CarbonylContact C-O 3.54Å; S64-V68 VanDerWaalsContact CA-O 3.3Å; S64-V68 WeakPolarHBondContact CA-O 3.28Å; S65-V68 PolarHBondContact N-O 3.09Å; S65-V68 PolarHBondContact O-N 3.32Å; E66-V68 VanDerWaalsContact C-N 3.32Å; E66-V68 PolarHBondContact O-N 3.28Å; V68-Y70 HydrophobicContact CB-CE2 4.1Å; V68-Y70 HydrophobicContact CG1-CD1 4.49Å; V68-Y70 HydrophobicContact CG1-CE1 3.86Å; V68-Y70 HydrophobicContact CG1-CE2 3.91Å; V68-F94 HydrophobicContact CG1-CD1 4.4Å; V68-F94 HydrophobicContact CG1-CE1 4.15Å; V68-F94 HydrophobicContact CG2-CE1 4.35Å; V68-I103 HydrophobicContact CG2-CD1 4.13Å; V68-I103 HydrophobicContact CG2-CG2 3.84Å
69S98.2Very high96.3Very high0 Ų026.1 Ų26.10%016%0.161CC..EExtended strand (participates in β ladder)trans-113.8133.2172.4-160.60000110.5V9 V10 L44 V63 S64V9-S69 WeakPolarHBondContact CA-O 3.18Å; V10-S69 PolarHBondContact N-O 3.35Å; V10-S69 PolarHBondContact O-N 3.46Å; L44-S69 VanDerWaalsContact CD1-CB 3.41Å; V63-S69 CarbonylContact O-C 3.56Å; V63-S69 WeakPolarHBondContact O-CA 3.33Å; V63-S69 PolarHBondContact O-OG 3.08Å; S64-S69 WeakPolarHBondContact OG-CB 3.43Å; S64-S69 PolarHBondContact OG-OG 2.97Å
70Y98.4Very high96.2Very high2 Ų228.5 Ų28.51%0.00818%0.176CC..EExtended strand (participates in β ladder)trans-108.2117.9179.1-54.1-84.4000106.9V9 F62 V63 V68 L87 L90 R91 F94V9-Y70 HydrophobicContact CG1-CD1 3.98Å; V9-Y70 HydrophobicContact CG1-CE1 3.85Å; V9-Y70 HydrophobicContact CG2-CD1 4.1Å; F62-Y70 CarbonylContact C-O 3.59Å; F62-Y70 WeakPolarHBondContact CA-O 3.35Å; V63-Y70 HydrophobicContact CG1-CD2 4.26Å; V63-Y70 PolarHBondContact N-O 3Å; V63-Y70 PolarHBondContact O-N 3.38Å; V68-Y70 HydrophobicContact CB-CE2 4.1Å; V68-Y70 HydrophobicContact CG1-CD1 4.49Å; V68-Y70 HydrophobicContact CG1-CE1 3.86Å; V68-Y70 HydrophobicContact CG1-CE2 3.91Å; Y70-L87 WeakPolarHBondContact O-CD2 3.35Å; Y70-L90 HydrophobicContact CD1-CD2 4.32Å; Y70-L90 HydrophobicContact CD1-CG 4.03Å; Y70-R91 HydrophobicContact CD1-CB 4.25Å; Y70-R91 HydrophobicContact CD2-CB 3.76Å; Y70-R91 HydrophobicContact CD2-CG 3.98Å; Y70-R91 HydrophobicContact CE1-CB 4.1Å; Y70-R91 HydrophobicContact CE1-CG 4.42Å; Y70-R91 HydrophobicContact CE2-CB 3.62Å; Y70-R91 HydrophobicContact CE2-CG 3.38Å; Y70-R91 HydrophobicContact CG-CB 4.07Å; Y70-F94 HydrophobicContact CE1-CB 3.69Å; Y70-F94 AromaticContact CE1-CD1 3.92Å; Y70-F94 HydrophobicContact CE1-CD1 3.92Å; Y70-F94 AromaticContact CE1-CG 3.94Å; Y70-F94 HydrophobicContact CE1-CG 3.94Å
71M98.4Very high96Very high0 Ų028.7 Ų28.70%018%0.178CC..EExtended strand (participates in β ladder)trans-128.5149.9-171.1-36.5-179.878.300110.5A7 F8 V10 L37 I40 Y61 F62A7-M71 CarbonylContact C-O 3.53Å; A7-M71 WeakPolarHBondContact CA-O 3.5Å; F8-M71 HydrophobicContact CB-CB 4.35Å; F8-M71 HydrophobicContact CD1-SD 4.12Å; F8-M71 PolarHBondContact N-O 3.07Å; F8-M71 PolarHBondContact O-N 3.27Å; V10-M71 HydrophobicContact CG2-CG 4.49Å; V10-M71 HydrophobicContact CG2-SD 3.9Å; L37-M71 HydrophobicContact CD2-CB 3.49Å; L37-M71 VanDerWaalsContact CD2-CB 3.49Å; L37-M71 HydrophobicContact CD2-CE 3.42Å; L37-M71 VanDerWaalsContact CD2-CE 3.42Å; L37-M71 HydrophobicContact CD2-CG 4.17Å; L37-M71 HydrophobicContact CD2-SD 3.65Å; I40-M71 HydrophobicContact CB-CE 4.12Å; I40-M71 HydrophobicContact CG2-CE 3.53Å; Y61-M71 CarbonylContact O-C 3.53Å; Y61-M71 VanDerWaalsContact O-CA 3.25Å; Y61-M71 WeakPolarHBondContact O-CA 3.42Å; F62-M71 HydrophobicContact CB-CB 4.02Å; F62-M71 HydrophobicContact CB-CE 3.8Å; F62-M71 HydrophobicContact CB-CG 3.75Å; F62-M71 HydrophobicContact CD1-CE 4.25Å; F62-M71 HydrophobicContact CG-CE 4.07Å
72S97.8Very high95.9Very high1 Ų131.4 Ų31.41%0.00719%0.189CC..EExtended strand (participates in β ladder)trans-145.6145.4-179.9-170.70000112F6 I60 Y61 C74F6-S72 CarbonylContact O-C 3.43Å; F6-S72 VanDerWaalsContact O-CA 3.24Å; F6-S72 WeakPolarHBondContact O-CA 3.24Å; F6-S72 PolarHBondContact O-OG 3.39Å; I60-S72 WeakPolarHBondContact CA-O 3.4Å; Y61-S72 PolarHBondContact N-O 3.39Å; Y61-S72 PolarHBondContact O-N 2.84Å; S72-C74 PolarHBondContact OG-SG 2.89Å; S72-C74 VanDerWaalsContact OG-SG 3.34Å
73V97.1Very high95.8Very high0 Ų031.5 Ų31.50%019%0.19CC..EExtended strand (participates in β ladder)trans-101.1119.4166.5-172.70000108.1L5 F6 L30 R33 L37 L58 N59 I60L5-V73 PolarHBondContact N-O 3.05Å; F6-V73 HydrophobicContact CB-CB 4.13Å; F6-V73 HydrophobicContact CB-CG2 4.15Å; F6-V73 HydrophobicContact CD1-CG2 4.15Å; F6-V73 PolarHBondContact N-O 3.14Å; F6-V73 PolarHBondContact O-N 3.4Å; L30-V73 HydrophobicContact CD1-CB 4.03Å; L30-V73 HydrophobicContact CD1-CG1 3.79Å; L30-V73 HydrophobicContact CD1-CG2 4.39Å; R33-V73 HydrophobicContact CB-CG1 3.8Å; R33-V73 HydrophobicContact CB-CG2 3.92Å; R33-V73 HydrophobicContact CG-CG1 4.01Å; L37-V73 HydrophobicContact CD1-CG2 3.41Å; L37-V73 VanDerWaalsContact CD1-CG2 3.41Å; L37-V73 HydrophobicContact CG-CG2 4.33Å; L58-V73 HydrophobicContact CB-CG1 3.86Å; L58-V73 HydrophobicContact CD1-CG1 3.97Å; L58-V73 HydrophobicContact CG-CG1 4.41Å; N59-V73 WeakPolarHBondContact O-CA 3.43Å; I60-V73 HydrophobicContact CG1-CG2 4.31Å
74C95.9Very high95.8Very high0 Ų031.4 Ų31.40%019%0.189CC..EExtended strand (participates in β ladder)trans-125.7153.2-179.1-54.20000111L3 L58 N59 Y61 S72 L78L3-C74 CarbonylContact O-C 3.52Å; L3-C74 WeakPolarHBondContact O-CA 3.44Å; L3-C74 WeakPolarHBondContact O-CB 3.36Å; L58-C74 CarbonylContact C-O 3.42Å; L58-C74 VanDerWaalsContact CA-O 3.3Å; L58-C74 WeakPolarHBondContact CA-O 3.42Å; N59-C74 PolarHBondContact N-O 2.92Å; N59-C74 PolarHBondContact O-N 3.06Å; Y61-C74 HydrophobicContact CD2-CB 4.12Å; Y61-C74 HydrophobicContact CE2-CB 3.9Å; S72-C74 PolarHBondContact OG-SG 2.89Å; S72-C74 VanDerWaalsContact OG-SG 3.34Å; C74-L78 HydrophobicContact CB-CB 4.37Å; C74-L78 HydrophobicContact CB-CD2 3.63Å
75H95.4Very high95.7Very high53 Ų5330.6 Ų30.625%0.24518%0.183CC..EExtended strand (participates in β ladder)trans-62.6142.9168.7-166.3-93.3000110.3L3 K57 L58 S77 L78L3-H75 HydrophobicContact CD2-CB 4.02Å; L3-H75 PolarHBondContact O-N 3.29Å; K57-H75 CarbonylContact O-C 3.55Å; K57-H75 WeakPolarHBondContact O-CA 3.37Å; L58-H75 HydrophobicContact CD2-CB 4.42Å; H75-S77 WeakPolarHBondContact ND1-CB 3.28Å; H75-S77 PolarHBondContact ND1-N 3Å; H75-S77 PolarHBondContact ND1-OG 3.38Å; H75-S77 PolarHBondContact O-N 2.97Å; H75-S77 VanDerWaalsContact O-N 3.14Å; H75-L78 VanDerWaalsContact O-CB 3.28Å; H75-L78 WeakPolarHBondContact O-CB 3.22Å; H75-L78 PolarHBondContact O-N 3.1Å
76S94.3Very high95.9Very high54 Ų5428.6 Ų28.638%0.37817%0.17SC..THydrogen-bonded Turntrans-65.3-18.7-174.260.70000113.7K57 L78K57-S76 WeakPolarHBondContact O-CB 3.33Å; K57-S76 PolarHBondContact O-N 2.84Å; K57-S76 PolarHBondContact O-OG 2.8Å; S76-L78 VanDerWaalsContact C-N 3.3Å
77S93.9Very high96Very high74 Ų7421.1 Ų21.152%0.51713%0.134SC..THydrogen-bonded Turntrans-78-9.7173.270.30000114.1L3 H75 P79L3-S77 WeakPolarHBondContact CD2-OG 3.48Å; H75-S77 WeakPolarHBondContact ND1-CB 3.28Å; H75-S77 PolarHBondContact ND1-N 3Å; H75-S77 PolarHBondContact ND1-OG 3.38Å; H75-S77 PolarHBondContact O-N 2.97Å; H75-S77 VanDerWaalsContact O-N 3.14Å; S77-P79 WeakPolarHBondContact O-CD 3.3Å
78L94.6Very high96.1Very high13 Ų1320.5 Ų20.57%0.06812%0.121CC..SBendtrans-71125.9175.9-175.668.7000109.3L3 I4 C74 H75 S76 V80 K82 A83L3-L78 HydrophobicContact CB-CB 4.31Å; L3-L78 HydrophobicContact CB-CD1 3.95Å; L3-L78 HydrophobicContact CD1-CD1 3.84Å; I4-L78 HydrophobicContact CD1-CD2 4.26Å; I4-L78 HydrophobicContact CG1-CD2 3.74Å; C74-L78 HydrophobicContact CB-CB 4.37Å; C74-L78 HydrophobicContact CB-CD2 3.63Å; H75-L78 VanDerWaalsContact O-CB 3.28Å; H75-L78 WeakPolarHBondContact O-CB 3.22Å; H75-L78 PolarHBondContact O-N 3.1Å; S76-L78 VanDerWaalsContact C-N 3.3Å; L78-V80 PolarHBondContact O-N 3.19Å; L78-K82 HydrophobicContact CD1-CB 4.1Å; L78-K82 HydrophobicContact CG-CB 4.43Å; L78-A83 HydrophobicContact CD2-CB 3.92Å
79P94.3Very high96Very high67 Ų6721.4 Ų21.444%0.43513%0.125SC..  trans-56.1133.7173.9-26.335.4000111.5S77 A81 K82 A83S77-P79 WeakPolarHBondContact O-CD 3.3Å; P79-A81 VanDerWaalsContact C-N 3.27Å; P79-A81 PolarHBondContact O-N 3.48Å; P79-K82 HydrophobicContact CB-CB 4.5Å; P79-K82 HydrophobicContact CB-CD 4.34Å; P79-K82 HydrophobicContact CB-CG 4.26Å; P79-K82 HydrophobicContact CG-CD 4.09Å; P79-K82 WeakPolarHBondContact O-CB 3.33Å; P79-K82 PolarHBondContact O-N 3.47Å; P79-A83 PolarHBondContact O-N 2.93Å
80V93.8Very high96Very high62 Ų6221.5 Ų21.538%0.37613%0.125SC..Hα-helixtrans-54.7-43.6-176.1177.80000111.5Y61 L78 K82 A83 F84 L145 P150Y61-V80 HydrophobicContact CE1-CG1 4.15Å; Y61-V80 HydrophobicContact CE1-CG2 4.21Å; L78-V80 PolarHBondContact O-N 3.19Å; V80-K82 VanDerWaalsContact C-N 3.29Å; V80-K82 PolarHBondContact O-N 3.31Å; V80-A83 WeakPolarHBondContact O-CB 3.45Å; V80-A83 PolarHBondContact O-N 3.05Å; V80-F84 HydrophobicContact CG1-CD2 3.71Å; V80-F84 HydrophobicContact CG1-CE2 3.73Å; V80-F84 WeakPolarHBondContact O-CD2 3.28Å; V80-F84 PolarHBondContact O-N 2.72Å; V80-L145 HydrophobicContact CG1-CD1 4.47Å; V80-P150 HydrophobicContact CG1-CG 4.35Å
81A93.6Very high95.9Very high5 Ų523.3 Ų23.34%0.04113%0.132CC..Hα-helixtrans-58.4-38.6177.500000113.2P79 F84 C85 L138 Q142 L145P79-A81 VanDerWaalsContact C-N 3.27Å; P79-A81 PolarHBondContact O-N 3.48Å; A81-F84 PolarHBondContact O-N 2.93Å; A81-C85 PolarHBondContact O-N 3.31Å; A81-C85 PolarHBondContact O-SG 3.37Å; A81-L138 HydrophobicContact CB-CD1 3.88Å; A81-Q142 HydrophobicContact CB-CB 4.42Å; A81-L145 HydrophobicContact CB-CD1 4.04Å
82K94.9Very high95.8Very high61 Ų6128.9 Ų28.927%0.26515%0.154SC..Hα-helixtrans-68.9-35176.4-67.2-175.7176.1-175.20112.2L78 P79 V80 C85 F86 G130 L138L78-K82 HydrophobicContact CD1-CB 4.1Å; L78-K82 HydrophobicContact CG-CB 4.43Å; P79-K82 HydrophobicContact CB-CB 4.5Å; P79-K82 HydrophobicContact CB-CD 4.34Å; P79-K82 HydrophobicContact CB-CG 4.26Å; P79-K82 HydrophobicContact CG-CD 4.09Å; P79-K82 WeakPolarHBondContact O-CB 3.33Å; P79-K82 PolarHBondContact O-N 3.47Å; V80-K82 VanDerWaalsContact C-N 3.29Å; V80-K82 PolarHBondContact O-N 3.31Å; K82-C85 PolarHBondContact O-N 3.45Å; K82-F86 PolarHBondContact O-N 2.85Å; K82-F86 VanDerWaalsContact O-N 3.08Å; K82-G130 VanDerWaalsContact CD-O 3.23Å; K82-G130 WeakPolarHBondContact CD-O 3.47Å; K82-G130 WeakPolarHBondContact CE-O 3.33Å; K82-G130 PolarHBondContact NZ-O 3.43Å; K82-L138 HydrophobicContact CG-CD1 4.07Å
83A96.2Very high95.8Very high1 Ų133.2 Ų33.21%0.00817%0.173CC..Hα-helixtrans-63.1-43.7173.600000111.2Y61 L78 P79 V80 F86 L87Y61-A83 HydrophobicContact CD1-CB 4.23Å; Y61-A83 HydrophobicContact CD2-CB 3.61Å; Y61-A83 HydrophobicContact CE1-CB 4.42Å; Y61-A83 HydrophobicContact CE2-CB 3.81Å; Y61-A83 HydrophobicContact CG-CB 3.82Å; L78-A83 HydrophobicContact CD2-CB 3.92Å; P79-A83 PolarHBondContact O-N 2.93Å; V80-A83 WeakPolarHBondContact O-CB 3.45Å; V80-A83 PolarHBondContact O-N 3.05Å; A83-F86 WeakPolarHBondContact O-CB 3.48Å; A83-F86 PolarHBondContact O-N 3.06Å; A83-L87 WeakPolarHBondContact O-CG 3.46Å; A83-L87 PolarHBondContact O-N 3.19Å
84F96.2Very high95.8Very high4 Ų433.2 Ų33.22%0.01817%0.173CC..Hα-helixtrans-71.9-33.4176.9-80.9-82.2000113.3R50 Y61 V80 A81 F86 L87 E88 V141 L145 P150R50-F84 HydrophobicContact CB-CE1 4.07Å; Y61-F84 HydrophobicContact CD1-CD2 4.48Å; Y61-F84 AromaticContact CD1-CE2 3.8Å; Y61-F84 HydrophobicContact CD1-CE2 3.8Å; Y61-F84 HydrophobicContact CD1-CZ 4.35Å; V80-F84 HydrophobicContact CG1-CD2 3.71Å; V80-F84 HydrophobicContact CG1-CE2 3.73Å; V80-F84 WeakPolarHBondContact O-CD2 3.28Å; V80-F84 PolarHBondContact O-N 2.72Å; A81-F84 PolarHBondContact O-N 2.93Å; F84-F86 VanDerWaalsContact C-N 3.31Å; F84-F86 PolarHBondContact O-N 2.71Å; F84-L87 HydrophobicContact CD1-CD1 4.22Å; F84-L87 HydrophobicContact CE1-CD1 4.32Å; F84-L87 PolarHBondContact O-N 2.77Å; F84-L87 VanDerWaalsContact O-N 3.17Å; F84-E88 PolarHBondContact O-N 3.03Å; F84-V141 HydrophobicContact CB-CG1 3.71Å; F84-L145 HydrophobicContact CB-CD1 4.12Å; F84-L145 HydrophobicContact CB-CD2 4.4Å; F84-L145 HydrophobicContact CD1-CD2 4.29Å; F84-L145 HydrophobicContact CD2-CD1 4.04Å; F84-L145 HydrophobicContact CD2-CD2 3.81Å; F84-L145 HydrophobicContact CE2-CD2 4.17Å; F84-L145 HydrophobicContact CG-CD1 4.28Å; F84-L145 HydrophobicContact CG-CD2 3.89Å; F84-P150 HydrophobicContact CE1-CB 4.44Å; F84-P150 HydrophobicContact CE2-CB 3.8Å; F84-P150 HydrophobicContact CE2-CG 3.78Å; F84-P150 HydrophobicContact CZ-CB 3.49Å; F84-P150 VanDerWaalsContact CZ-CB 3.49Å; F84-P150 HydrophobicContact CZ-CG 4.02Å
85C96.3Very high95.8Very high0 Ų035.5 Ų35.50%019%0.188CC..Hα-helixtrans-58.1-45.7170.1-66.40000111.1A81 K82 L87 E88 D89 Y126 P132A81-C85 PolarHBondContact O-N 3.31Å; A81-C85 PolarHBondContact O-SG 3.37Å; K82-C85 PolarHBondContact O-N 3.45Å; C85-L87 VanDerWaalsContact C-N 3.28Å; C85-L87 PolarHBondContact O-N 3.12Å; C85-E88 PolarHBondContact O-N 3.07Å; C85-D89 PolarHBondContact O-N 3.17Å; C85-Y126 HydrophobicContact CB-CE1 4.05Å; C85-Y126 VanDerWaalsContact CB-OH 3.29Å; C85-Y126 WeakPolarHBondContact CB-OH 3.17Å; C85-Y126 PolarHBondContact O-OH 2.86Å; C85-P132 HydrophobicContact CB-CB 4.39Å; C85-P132 HydrophobicContact CB-CG 4.21Å
86F97.3Very high95.8Very high0 Ų037 Ų370%021%0.209CC..Hα-helixtrans-59.1-39.8176.5170.1-97.1000112.1I4 A7 K82 A83 F84 L90 L122 K123 Y126I4-F86 HydrophobicContact CD1-CB 3.77Å; I4-F86 HydrophobicContact CD1-CD1 4.16Å; I4-F86 HydrophobicContact CD1-CD2 3.68Å; I4-F86 HydrophobicContact CD1-CE2 4.34Å; I4-F86 HydrophobicContact CD1-CG 3.58Å; I4-F86 HydrophobicContact CG2-CD1 4.28Å; I4-F86 HydrophobicContact CG2-CE1 4Å; I4-F86 HydrophobicContact CG2-CE2 4.28Å; I4-F86 HydrophobicContact CG2-CZ 4Å; A7-F86 HydrophobicContact CB-CE1 3.88Å; A7-F86 HydrophobicContact CB-CZ 3.81Å; K82-F86 PolarHBondContact O-N 2.85Å; K82-F86 VanDerWaalsContact O-N 3.08Å; A83-F86 WeakPolarHBondContact O-CB 3.48Å; A83-F86 PolarHBondContact O-N 3.06Å; F84-F86 VanDerWaalsContact C-N 3.31Å; F84-F86 PolarHBondContact O-N 2.71Å; F86-L90 HydrophobicContact CE1-CD2 4.25Å; F86-L90 VanDerWaalsContact O-CB 3.24Å; F86-L90 WeakPolarHBondContact O-CB 3.48Å; F86-L90 PolarHBondContact O-N 3.38Å; F86-L122 HydrophobicContact CD2-CD2 3.89Å; F86-L122 HydrophobicContact CD2-CG 3.84Å; F86-L122 HydrophobicContact CE2-CB 4.13Å; F86-L122 HydrophobicContact CE2-CD2 3.71Å; F86-L122 HydrophobicContact CE2-CG 3.69Å; F86-L122 HydrophobicContact CZ-CD2 4.44Å; F86-K123 HydrophobicContact CE2-CB 4.5Å; F86-K123 HydrophobicContact CE2-CG 3.8Å; F86-K123 HydrophobicContact CZ-CG 3.71Å; F86-Y126 HydrophobicContact CB-CD1 3.94Å; F86-Y126 HydrophobicContact CB-CD2 4.48Å; F86-Y126 HydrophobicContact CB-CE1 3.76Å; F86-Y126 HydrophobicContact CB-CE2 4.32Å; F86-Y126 HydrophobicContact CB-CG 4.29Å; F86-Y126 AromaticContact CD2-CD2 3.89Å; F86-Y126 HydrophobicContact CD2-CD2 3.89Å; F86-Y126 HydrophobicContact CD2-CE2 4.23Å; F86-Y126 HydrophobicContact CD2-CG 4.04Å; F86-Y126 PolarHBondContact N-OH 3.23Å
87L97.5Very high95.9Very high0 Ų037.8 Ų37.80%021%0.214CC..Hα-helixtrans-69.2-36.2177.9-65-179.6000112.8V63 Y70 A83 F84 C85 L90 R91V63-L87 HydrophobicContact CB-CD1 4.5Å; V63-L87 HydrophobicContact CG1-CB 3.75Å; V63-L87 HydrophobicContact CG1-CD1 4.24Å; Y70-L87 WeakPolarHBondContact O-CD2 3.35Å; A83-L87 WeakPolarHBondContact O-CG 3.46Å; A83-L87 PolarHBondContact O-N 3.19Å; F84-L87 HydrophobicContact CD1-CD1 4.22Å; F84-L87 HydrophobicContact CE1-CD1 4.32Å; F84-L87 PolarHBondContact O-N 2.77Å; F84-L87 VanDerWaalsContact O-N 3.17Å; C85-L87 VanDerWaalsContact C-N 3.28Å; C85-L87 PolarHBondContact O-N 3.12Å; L87-L90 PolarHBondContact O-N 3.45Å; L87-R91 WeakPolarHBondContact O-CB 3.3Å; L87-R91 PolarHBondContact O-N 2.95Å
88E95.8Very high96Very high30 Ų3035.5 Ų35.514%0.1420%0.195CC..Hα-helixtrans-67.9-44.1174.5-73.1-56.2138.700112F84 C85 L90 R91 W92 V141F84-E88 PolarHBondContact O-N 3.03Å; C85-E88 PolarHBondContact O-N 3.07Å; E88-L90 VanDerWaalsContact C-N 3.3Å; E88-L90 PolarHBondContact O-N 2.6Å; E88-R91 WeakPolarHBondContact O-CB 3.42Å; E88-R91 PolarHBondContact O-N 2.88Å; E88-R91 VanDerWaalsContact O-N 3.14Å; E88-R91 IonicContact OE2-CZ 3.05Å; E88-R91 VanDerWaalsContact OE2-CZ 3.27Å; E88-R91 IonicContact OE2-NE 2.68Å; E88-R91 PolarHBondContact OE2-NE 3.02Å; E88-R91 IonicContact OE2-NH2 3.83Å; E88-R91 PolarHBondContact OE2-NH2 3.34Å; E88-W92 HydrophobicContact CB-CH2 4.49Å; E88-W92 HydrophobicContact CB-CZ3 4.37Å; E88-W92 PolarHBondContact O-N 2.97Å; E88-V141 HydrophobicContact CG-CG2 4.38Å
89D96.3Very high96Very high23 Ų2339.3 Ų39.312%0.12322%0.215CC..Hα-helixtrans-60.7-42173.7-71.3-13.6000111C85 R91 W92 E93 L122 Y126C85-D89 PolarHBondContact O-N 3.17Å; D89-R91 VanDerWaalsContact C-N 3.31Å; D89-R91 PolarHBondContact O-N 3.12Å; D89-W92 PolarHBondContact O-N 2.78Å; D89-W92 VanDerWaalsContact OD1-CZ3 3.32Å; D89-W92 WeakPolarHBondContact OD1-CZ3 3.48Å; D89-E93 WeakPolarHBondContact O-CB 3.37Å; D89-E93 WeakPolarHBondContact O-CG 3.43Å; D89-E93 PolarHBondContact O-N 2.77Å; D89-L122 HydrophobicContact CB-CD1 3.76Å; D89-L122 HydrophobicContact CB-CD2 3.78Å; D89-L122 HydrophobicContact CB-CG 4.35Å; D89-Y126 WeakPolarHBondContact OD2-CE2 3.45Å; D89-Y126 VanDerWaalsContact OD2-CZ 3.27Å; D89-Y126 PolarHBondContact OD2-OH 3.24Å
90L97.4Very high95.9Very high1 Ų140.4 Ų40.41%0.00522%0.224CC..Hα-helixtrans-61.8-39.5175.7-177.663.5000111.9A7 V9 Y70 F86 L87 E88 F94 F115 I119 L122A7-L90 HydrophobicContact CB-CD2 4.22Å; V9-L90 HydrophobicContact CG2-CD1 4.49Å; V9-L90 HydrophobicContact CG2-CD2 4.18Å; V9-L90 HydrophobicContact CG2-CG 4.39Å; Y70-L90 HydrophobicContact CD1-CD2 4.32Å; Y70-L90 HydrophobicContact CD1-CG 4.03Å; F86-L90 HydrophobicContact CE1-CD2 4.25Å; F86-L90 VanDerWaalsContact O-CB 3.24Å; F86-L90 WeakPolarHBondContact O-CB 3.48Å; F86-L90 PolarHBondContact O-N 3.38Å; L87-L90 PolarHBondContact O-N 3.45Å; E88-L90 VanDerWaalsContact C-N 3.3Å; E88-L90 PolarHBondContact O-N 2.6Å; L90-F94 VanDerWaalsContact O-CB 3.31Å; L90-F94 WeakPolarHBondContact O-CB 3.37Å; L90-F94 PolarHBondContact O-N 2.76Å; L90-F115 HydrophobicContact CD1-CE1 3.67Å; L90-F115 HydrophobicContact CD1-CZ 4.06Å; L90-I119 HydrophobicContact CD1-CG1 3.85Å; L90-L122 HydrophobicContact CB-CD2 3.92Å; L90-L122 HydrophobicContact CD1-CD2 4.45Å
91R97.1Very high95.9Very high40 Ų4041.4 Ų41.415%0.15123%0.231CC..Hα-helixtrans-64.4-48.4175.3177.7-178.673.367.89.5111.5Y70 L87 E88 D89 F94 T95Y70-R91 HydrophobicContact CD1-CB 4.25Å; Y70-R91 HydrophobicContact CD2-CB 3.76Å; Y70-R91 HydrophobicContact CD2-CG 3.98Å; Y70-R91 HydrophobicContact CE1-CB 4.1Å; Y70-R91 HydrophobicContact CE1-CG 4.42Å; Y70-R91 HydrophobicContact CE2-CB 3.62Å; Y70-R91 HydrophobicContact CE2-CG 3.38Å; Y70-R91 HydrophobicContact CG-CB 4.07Å; L87-R91 WeakPolarHBondContact O-CB 3.3Å; L87-R91 PolarHBondContact O-N 2.95Å; E88-R91 WeakPolarHBondContact O-CB 3.42Å; E88-R91 PolarHBondContact O-N 2.88Å; E88-R91 VanDerWaalsContact O-N 3.14Å; E88-R91 IonicContact OE2-CZ 3.05Å; E88-R91 VanDerWaalsContact OE2-CZ 3.27Å; E88-R91 IonicContact OE2-NE 2.68Å; E88-R91 PolarHBondContact OE2-NE 3.02Å; E88-R91 IonicContact OE2-NH2 3.83Å; E88-R91 PolarHBondContact OE2-NH2 3.34Å; D89-R91 VanDerWaalsContact C-N 3.31Å; D89-R91 PolarHBondContact O-N 3.12Å; R91-F94 PolarHBondContact O-N 3.08Å; R91-T95 HydrophobicContact CG-CG2 4.34Å; R91-T95 WeakPolarHBondContact O-CB 3.32Å; R91-T95 WeakPolarHBondContact O-CG2 3.28Å; R91-T95 PolarHBondContact O-N 3.12Å; R91-T95 PolarHBondContact O-OG1 3.47Å
92W95.9Very high96Very high118 Ų11844 Ų4445%0.44725%0.246SC..Hα-helixtrans-59.7-47.8178.9-74.5-43000111.8E88 D89 F94 T95 A96 T137E88-W92 HydrophobicContact CB-CH2 4.49Å; E88-W92 HydrophobicContact CB-CZ3 4.37Å; E88-W92 PolarHBondContact O-N 2.97Å; D89-W92 PolarHBondContact O-N 2.78Å; D89-W92 VanDerWaalsContact OD1-CZ3 3.32Å; D89-W92 WeakPolarHBondContact OD1-CZ3 3.48Å; W92-F94 VanDerWaalsContact C-N 3.35Å; W92-F94 PolarHBondContact O-N 2.82Å; W92-T95 PolarHBondContact O-N 3.49Å; W92-T95 PolarHBondContact O-OG1 2.72Å; W92-T95 VanDerWaalsContact O-OG1 3.13Å; W92-A96 VanDerWaalsContact O-CB 3.32Å; W92-A96 WeakPolarHBondContact O-CB 3.34Å; W92-A96 PolarHBondContact O-N 3.17Å; W92-T137 HydrophobicContact CH2-CG2 4.3Å; W92-T137 HydrophobicContact CZ3-CG2 4.12Å
93E97.1Very high96.1Very high91 Ų9141.8 Ų41.843%0.42524%0.237SC..Hα-helixtrans-61.3-41.9177.5-72.8-67.4164.200112.3D89 C97 F115 T118D89-E93 WeakPolarHBondContact O-CB 3.37Å; D89-E93 WeakPolarHBondContact O-CG 3.43Å; D89-E93 PolarHBondContact O-N 2.77Å; E93-C97 PolarHBondContact O-N 3.04Å; E93-C97 PolarHBondContact O-SG 3.36Å; E93-F115 HydrophobicContact CB-CE2 4.06Å; E93-F115 HydrophobicContact CB-CZ 3.92Å; E93-T118 HydrophobicContact CB-CG2 3.82Å; E93-T118 HydrophobicContact CG-CG2 3.95Å
94F97.6Very high96Very high0 Ų044.6 Ų44.60%026%0.256CS..Hα-helixtrans-68.9-44.9-179.5-172-99.3000112.2V9 L18 V68 Y70 L90 R91 W92 A96 C97 F98 I103 F112 F115V9-F94 HydrophobicContact CG1-CD1 4.29Å; V9-F94 HydrophobicContact CG1-CD2 4.12Å; V9-F94 HydrophobicContact CG1-CE1 4.12Å; V9-F94 HydrophobicContact CG1-CE2 3.98Å; V9-F94 HydrophobicContact CG1-CG 4.27Å; V9-F94 HydrophobicContact CG1-CZ 3.98Å; L18-F94 HydrophobicContact CB-CZ 4.21Å; L18-F94 HydrophobicContact CD1-CE1 4.23Å; L18-F94 HydrophobicContact CD1-CZ 3.95Å; V68-F94 HydrophobicContact CG1-CD1 4.4Å; V68-F94 HydrophobicContact CG1-CE1 4.15Å; V68-F94 HydrophobicContact CG2-CE1 4.35Å; Y70-F94 HydrophobicContact CE1-CB 3.69Å; Y70-F94 AromaticContact CE1-CD1 3.92Å; Y70-F94 HydrophobicContact CE1-CD1 3.92Å; Y70-F94 AromaticContact CE1-CG 3.94Å; Y70-F94 HydrophobicContact CE1-CG 3.94Å; L90-F94 VanDerWaalsContact O-CB 3.31Å; L90-F94 WeakPolarHBondContact O-CB 3.37Å; L90-F94 PolarHBondContact O-N 2.76Å; R91-F94 PolarHBondContact O-N 3.08Å; W92-F94 VanDerWaalsContact C-N 3.35Å; W92-F94 PolarHBondContact O-N 2.82Å; F94-A96 VanDerWaalsContact C-N 3.28Å; F94-A96 PolarHBondContact O-N 3.38Å; F94-C97 PolarHBondContact O-N 3.48Å; F94-C97 VanDerWaalsContact O-N 3.13Å; F94-F98 HydrophobicContact CD1-CD2 4.48Å; F94-F98 AromaticContact CD2-CD2 3.6Å; F94-F98 HydrophobicContact CD2-CD2 3.6Å; F94-F98 AromaticContact CD2-CE2 3.9Å; F94-F98 HydrophobicContact CD2-CE2 3.9Å; F94-F98 HydrophobicContact CE1-CB 4.47Å; F94-F98 HydrophobicContact CE1-CD2 4.36Å; F94-F98 AromaticContact CE2-CD2 3.44Å; F94-F98 HydrophobicContact CE2-CD2 3.44Å; F94-F98 VanDerWaalsContact CE2-CD2 3.44Å; F94-F98 AromaticContact CE2-CE2 3.77Å; F94-F98 HydrophobicContact CE2-CE2 3.77Å; F94-F98 HydrophobicContact CE2-CG 4.37Å; F94-F98 HydrophobicContact CG-CD2 4.15Å; F94-F98 HydrophobicContact CZ-CB 4.45Å; F94-F98 AromaticContact CZ-CD2 3.85Å; F94-F98 HydrophobicContact CZ-CD2 3.85Å; F94-F98 HydrophobicContact CZ-CG 4.4Å; F94-F98 WeakPolarHBondContact O-CD2 3.32Å; F94-F98 PolarHBondContact O-N 3.48Å; F94-I103 HydrophobicContact CD1-CD1 4.39Å; F94-I103 HydrophobicContact CE1-CD1 3.59Å; F94-I103 HydrophobicContact CE1-CG1 4.07Å; F94-I103 HydrophobicContact CZ-CD1 4.36Å; F94-I103 HydrophobicContact CZ-CG1 4.37Å; F94-F112 HydrophobicContact CE2-CD2 4.15Å; F94-F112 AromaticContact CZ-CD2 3.86Å; F94-F112 HydrophobicContact CZ-CD2 3.86Å; F94-F112 HydrophobicContact CZ-CE2 4.2Å; F94-F115 HydrophobicContact CB-CE1 3.94Å; F94-F115 HydrophobicContact CB-CE2 4.26Å; F94-F115 HydrophobicContact CB-CZ 3.66Å; F94-F115 AromaticContact CD2-CD1 3.62Å; F94-F115 HydrophobicContact CD2-CD1 3.62Å; F94-F115 HydrophobicContact CD2-CD2 4.35Å; F94-F115 AromaticContact CD2-CE1 3.6Å; F94-F115 HydrophobicContact CD2-CE1 3.6Å; F94-F115 HydrophobicContact CD2-CE2 4.33Å; F94-F115 HydrophobicContact CD2-CG 4.02Å; F94-F115 AromaticContact CD2-CZ 3.98Å; F94-F115 HydrophobicContact CD2-CZ 3.98Å; F94-F115 HydrophobicContact CE2-CD1 4.27Å; F94-F115 HydrophobicContact CG-CE1 4.26Å; F94-F115 HydrophobicContact CG-CZ 4.34Å
95T96.2Very high95.9Very high49 Ų4950.7 Ų50.730%0.30129%0.289SS..Hα-helixtrans-69.1-26.6179.451.80000112.5R91 W92 C97R91-T95 HydrophobicContact CG-CG2 4.34Å; R91-T95 WeakPolarHBondContact O-CB 3.32Å; R91-T95 WeakPolarHBondContact O-CG2 3.28Å; R91-T95 PolarHBondContact O-N 3.12Å; R91-T95 PolarHBondContact O-OG1 3.47Å; W92-T95 PolarHBondContact O-N 3.49Å; W92-T95 PolarHBondContact O-OG1 2.72Å; W92-T95 VanDerWaalsContact O-OG1 3.13Å; T95-C97 VanDerWaalsContact C-N 3.35Å
96A96.4Very high95.8Very high84 Ų8451.4 Ų51.469%0.69429%0.294SS*.Hα-helixtrans-69.2-31.6170.300000112.8W92 F94W92-A96 VanDerWaalsContact O-CB 3.32Å; W92-A96 WeakPolarHBondContact O-CB 3.34Å; W92-A96 PolarHBondContact O-N 3.17Å; F94-A96 VanDerWaalsContact C-N 3.28Å; F94-A96 PolarHBondContact O-N 3.38Å
97C95.7Very high95.6Very high70 Ų7055.8 Ų55.847%0.47333%0.33SS..Hα-helixtrans-87.4-36.5-179.1-65.30000113.4E93 F94 T95E93-C97 PolarHBondContact O-N 3.04Å; E93-C97 PolarHBondContact O-SG 3.36Å; F94-C97 PolarHBondContact O-N 3.48Å; F94-C97 VanDerWaalsContact O-N 3.13Å; T95-C97 VanDerWaalsContact C-N 3.35Å
98F96.1Very high95.4Very high27 Ų2764.1 Ų64.112%0.11836%0.362CS..  trans-131.9126.8-170.1-50.8-75.1000111.7F94 V102 I103 F112 E114 F115F94-F98 HydrophobicContact CD1-CD2 4.48Å; F94-F98 AromaticContact CD2-CD2 3.6Å; F94-F98 HydrophobicContact CD2-CD2 3.6Å; F94-F98 AromaticContact CD2-CE2 3.9Å; F94-F98 HydrophobicContact CD2-CE2 3.9Å; F94-F98 HydrophobicContact CE1-CB 4.47Å; F94-F98 HydrophobicContact CE1-CD2 4.36Å; F94-F98 AromaticContact CE2-CD2 3.44Å; F94-F98 HydrophobicContact CE2-CD2 3.44Å; F94-F98 VanDerWaalsContact CE2-CD2 3.44Å; F94-F98 AromaticContact CE2-CE2 3.77Å; F94-F98 HydrophobicContact CE2-CE2 3.77Å; F94-F98 HydrophobicContact CE2-CG 4.37Å; F94-F98 HydrophobicContact CG-CD2 4.15Å; F94-F98 HydrophobicContact CZ-CB 4.45Å; F94-F98 AromaticContact CZ-CD2 3.85Å; F94-F98 HydrophobicContact CZ-CD2 3.85Å; F94-F98 HydrophobicContact CZ-CG 4.4Å; F94-F98 WeakPolarHBondContact O-CD2 3.32Å; F94-F98 PolarHBondContact O-N 3.48Å; F98-V102 HydrophobicContact CB-CG2 4.14Å; F98-I103 HydrophobicContact CB-CD1 4.18Å; F98-I103 HydrophobicContact CB-CG1 4.22Å; F98-F112 AromaticContact CD1-CD1 3.59Å; F98-F112 HydrophobicContact CD1-CD1 3.59Å; F98-F112 AromaticContact CD1-CE1 3.84Å; F98-F112 HydrophobicContact CD1-CE1 3.84Å; F98-F112 HydrophobicContact CD1-CG 4.12Å; F98-F112 HydrophobicContact CE1-CB 4.06Å; F98-F112 AromaticContact CE1-CD1 3.47Å; F98-F112 HydrophobicContact CE1-CD1 3.47Å; F98-F112 VanDerWaalsContact CE1-CD1 3.47Å; F98-F112 HydrophobicContact CE1-CE1 4.17Å; F98-F112 AromaticContact CE1-CG 3.94Å; F98-F112 HydrophobicContact CE1-CG 3.94Å; F98-F112 HydrophobicContact CE2-CB 4.08Å; F98-F112 HydrophobicContact CE2-CG 4.38Å; F98-F112 HydrophobicContact CG-CD1 4.26Å; F98-F112 HydrophobicContact CG-CE1 4.46Å; F98-F112 HydrophobicContact CG-CG 4.41Å; F98-F112 HydrophobicContact CZ-CB 3.75Å; F98-F112 HydrophobicContact CZ-CD1 4.08Å; F98-F112 HydrophobicContact CZ-CG 4.08Å; F98-E114 HydrophobicContact CZ-CG 4.21Å; F98-F115 HydrophobicContact CE2-CB 3.83Å; F98-F115 AromaticContact CE2-CD2 3.85Å; F98-F115 HydrophobicContact CE2-CD2 3.85Å; F98-F115 AromaticContact CE2-CG 3.94Å; F98-F115 HydrophobicContact CE2-CG 3.94Å; F98-F115 HydrophobicContact CZ-CB 4.14Å
99N93.7Very high95.4Very high93 Ų9366.5 Ų66.550%0.49738%0.38SS..  trans-81.7162.717566.453.7000112.5T101 V102 I103N99-T101 PolarHBondContact O-N 2.79Å; N99-T101 WeakPolarHBondContact OD1-CB 3.34Å; N99-T101 PolarHBondContact OD1-N 2.83Å; N99-T101 VanDerWaalsContact OD1-N 3.1Å; N99-V102 WeakPolarHBondContact O-CG2 3.49Å; N99-V102 PolarHBondContact O-N 2.9Å; N99-V102 PolarHBondContact OD1-N 2.68Å; N99-I103 WeakPolarHBondContact O-CD1 3.45Å; N99-I103 WeakPolarHBondContact O-CG1 3.36Å; N99-I103 PolarHBondContact O-N 2.82Å
100S93.6Very high95.4Very high90 Ų9068.3 Ų68.363%0.62939%0.385SS*.Hα-helixtrans-59.5-29.9-179.159.90000113.8S104S100-S104 WeakPolarHBondContact O-CB 3.46Å; S100-S104 PolarHBondContact O-N 3.23Å; S100-S104 PolarHBondContact O-OG 2.77Å
101T94.1Very high95.4Very high83 Ų8369 Ų6951%0.50939%0.39SS..Hα-helixtrans-67.6-50.7-178.7-57.80000110.9N99 I103 S104 L105N99-T101 PolarHBondContact O-N 2.79Å; N99-T101 WeakPolarHBondContact OD1-CB 3.34Å; N99-T101 PolarHBondContact OD1-N 2.83Å; N99-T101 VanDerWaalsContact OD1-N 3.1Å; T101-I103 VanDerWaalsContact C-N 3.29Å; T101-I103 PolarHBondContact O-N 2.86Å; T101-S104 PolarHBondContact O-N 3.16Å; T101-S104 VanDerWaalsContact O-N 3.17Å; T101-S104 PolarHBondContact O-OG 3.4Å; T101-L105 HydrophobicContact CG2-CD1 4.09Å; T101-L105 WeakPolarHBondContact O-CG 3.21Å; T101-L105 PolarHBondContact O-N 3.23Å; T101-L105 VanDerWaalsContact O-N 3.12Å
102V95.4Very high95.4Very high60 Ų6068 Ų6836%0.36439%0.387SS..Hα-helixtrans-64.5-35.7179-620000111.9F98 N99 L105 A106 F112F98-V102 HydrophobicContact CB-CG2 4.14Å; N99-V102 WeakPolarHBondContact O-CG2 3.49Å; N99-V102 PolarHBondContact O-N 2.9Å; N99-V102 PolarHBondContact OD1-N 2.68Å; V102-L105 PolarHBondContact O-N 2.82Å; V102-A106 PolarHBondContact O-N 2.95Å; V102-F112 HydrophobicContact CG2-CE1 4.38Å; V102-F112 HydrophobicContact CG2-CZ 4.31Å
103I95.7Very high95.3Very high13 Ų1367.8 Ų67.87%0.06739%0.394CS..Hα-helixtrans-64.5-41.9175-64.7160.4000110.8R11 L18 V68 F94 F98 N99 T101 L105 A106 F112R11-I103 PolarHBondContact NH1-O 3.38Å; L18-I103 HydrophobicContact CD1-CG2 3.79Å; V68-I103 HydrophobicContact CG2-CD1 4.13Å; V68-I103 HydrophobicContact CG2-CG2 3.84Å; F94-I103 HydrophobicContact CD1-CD1 4.39Å; F94-I103 HydrophobicContact CE1-CD1 3.59Å; F94-I103 HydrophobicContact CE1-CG1 4.07Å; F94-I103 HydrophobicContact CZ-CD1 4.36Å; F94-I103 HydrophobicContact CZ-CG1 4.37Å; F98-I103 HydrophobicContact CB-CD1 4.18Å; F98-I103 HydrophobicContact CB-CG1 4.22Å; N99-I103 WeakPolarHBondContact O-CD1 3.45Å; N99-I103 WeakPolarHBondContact O-CG1 3.36Å; N99-I103 PolarHBondContact O-N 2.82Å; T101-I103 VanDerWaalsContact C-N 3.29Å; T101-I103 PolarHBondContact O-N 2.86Å; I103-L105 PolarHBondContact O-N 3.25Å; I103-A106 PolarHBondContact O-N 2.82Å; I103-F112 HydrophobicContact CG1-CE2 4.05Å; I103-F112 HydrophobicContact CG1-CZ 4.22Å
104S93.8Very high95.2Very high60 Ų6069 Ų6942%0.4240%0.4SS..Hα-helixtrans-67.3-34.1-179.676.20000113.4R11 S100 T101R11-S104 PolarHBondContact NH1-O 3.5Å; R11-S104 VanDerWaalsContact NH1-O 3.1Å; S100-S104 WeakPolarHBondContact O-CB 3.46Å; S100-S104 PolarHBondContact O-N 3.23Å; S100-S104 PolarHBondContact O-OG 2.77Å; T101-S104 PolarHBondContact O-N 3.16Å; T101-S104 VanDerWaalsContact O-N 3.17Å; T101-S104 PolarHBondContact O-OG 3.4Å
105L94.9Very high95.2Very high133 Ų13369.1 Ų69.170%0.69640%0.4SS*.Hα-helixtrans-83.5-13.9-178.6-68.6174000113.7T101 V102 I103 A107T101-L105 HydrophobicContact CG2-CD1 4.09Å; T101-L105 WeakPolarHBondContact O-CG 3.21Å; T101-L105 PolarHBondContact O-N 3.23Å; T101-L105 VanDerWaalsContact O-N 3.12Å; V102-L105 PolarHBondContact O-N 2.82Å; I103-L105 PolarHBondContact O-N 3.25Å; L105-A107 PolarHBondContact O-N 3.18Å
106A94.2Very high95.2Very high14 Ų1468.3 Ų68.312%0.11639%0.394CS..  trans-59.1130.9178.400000112.1R11 L16 V102 I103 P111 F112R11-A106 VanDerWaalsContact CZ-O 3.3Å; R11-A106 PolarHBondContact NH1-O 2.96Å; R11-A106 PolarHBondContact NH2-O 3.07Å; L16-A106 HydrophobicContact CD2-CB 4.15Å; L16-A106 WeakPolarHBondContact CD2-O 3.39Å; V102-A106 PolarHBondContact O-N 2.95Å; I103-A106 PolarHBondContact O-N 2.82Å; A106-P111 HydrophobicContact CB-CB 4.22Å; A106-P111 HydrophobicContact CB-CG 3.83Å; A106-F112 HydrophobicContact CB-CZ 4.5Å
107A92.9Very high95.2Very high92 Ų9267.5 Ų67.576%0.7638%0.383SS*.  trans-121.3-26-178.600000113.8L105L105-A107 PolarHBondContact O-N 3.18Å
108R94.4Very high95.3Very high175 Ų17565.5 Ų65.566%0.6637%0.369SS*.SBendtrans-93.3147.9178.470-176.7-175.2-155.7-0.4110.9P111R108-P111 HydrophobicContact CG-CB 4.23Å; R108-P111 VanDerWaalsContact O-CD 3.28Å; R108-P111 WeakPolarHBondContact O-CD 3.24Å
109P95.9Very high95.4Very high80 Ų8064.2 Ų64.252%0.51936%0.363SS..SBendtrans-61.8143.2169.8-22.333.8000111.8L16 P17L16-P109 HydrophobicContact CD1-CG 4.33Å; P17-P109 HydrophobicContact CG-CB 4.48Å
110Y96.4Very high95.5Very high61 Ų6162.7 Ų62.724%0.23935%0.353CS..SBendtrans50.456.6-177.7-48.8-81.4000113.1F8 P17 L18 A20 F112 L113F8-Y110 AromaticContact CE2-CE1 3.96Å; F8-Y110 HydrophobicContact CE2-CE1 3.96Å; P17-Y110 HydrophobicContact CB-CD1 3.96Å; P17-Y110 HydrophobicContact CB-CD2 4.23Å; P17-Y110 HydrophobicContact CB-CE1 3.61Å; P17-Y110 HydrophobicContact CB-CE2 3.91Å; P17-Y110 HydrophobicContact CB-CG 4.26Å; P17-Y110 HydrophobicContact CG-CE2 4.39Å; P17-Y110 PolarHBondContact O-N 2.55Å; L18-Y110 WeakPolarHBondContact O-CA 3.35Å; A20-Y110 HydrophobicContact CB-CD1 4.35Å; A20-Y110 HydrophobicContact CB-CE1 3.76Å; Y110-F112 PolarHBondContact O-N 2.86Å; Y110-L113 HydrophobicContact CG-CD2 4.3Å; Y110-L113 WeakPolarHBondContact O-CG 3.25Å
111P96.1Very high95.6Very high17 Ų1765.3 Ų65.311%0.1135%0.353CS..THydrogen-bonded Turntrans-67.6-22.5175.532.4-36.8000112.8P17 L18 A106 R108P17-P111 VanDerWaalsContact O-CD 3.32Å; P17-P111 WeakPolarHBondContact O-CD 3.48Å; L18-P111 HydrophobicContact CD2-CG 4.17Å; L18-P111 WeakPolarHBondContact O-CD 3.36Å; A106-P111 HydrophobicContact CB-CB 4.22Å; A106-P111 HydrophobicContact CB-CG 3.83Å; R108-P111 HydrophobicContact CG-CB 4.23Å; R108-P111 VanDerWaalsContact O-CD 3.28Å; R108-P111 WeakPolarHBondContact O-CD 3.24Å
112F96.9Very high95.7Very high17 Ų1762 Ų628%0.07533%0.333CS..THydrogen-bonded Turntrans-117.153.5-174-47.9-59.2000111.8L18 S19 F94 F98 V102 I103 A106 Y110 E114 F115L18-F112 HydrophobicContact CB-CD2 4Å; L18-F112 HydrophobicContact CB-CE2 4.41Å; L18-F112 HydrophobicContact CD2-CD2 4.33Å; L18-F112 HydrophobicContact CD2-CE2 3.96Å; L18-F112 PolarHBondContact O-N 3.06Å; S19-F112 WeakPolarHBondContact CB-O 3.37Å; S19-F112 PolarHBondContact OG-O 2.82Å; F94-F112 HydrophobicContact CE2-CD2 4.15Å; F94-F112 AromaticContact CZ-CD2 3.86Å; F94-F112 HydrophobicContact CZ-CD2 3.86Å; F94-F112 HydrophobicContact CZ-CE2 4.2Å; F98-F112 AromaticContact CD1-CD1 3.59Å; F98-F112 HydrophobicContact CD1-CD1 3.59Å; F98-F112 AromaticContact CD1-CE1 3.84Å; F98-F112 HydrophobicContact CD1-CE1 3.84Å; F98-F112 HydrophobicContact CD1-CG 4.12Å; F98-F112 HydrophobicContact CE1-CB 4.06Å; F98-F112 AromaticContact CE1-CD1 3.47Å; F98-F112 HydrophobicContact CE1-CD1 3.47Å; F98-F112 VanDerWaalsContact CE1-CD1 3.47Å; F98-F112 HydrophobicContact CE1-CE1 4.17Å; F98-F112 AromaticContact CE1-CG 3.94Å; F98-F112 HydrophobicContact CE1-CG 3.94Å; F98-F112 HydrophobicContact CE2-CB 4.08Å; F98-F112 HydrophobicContact CE2-CG 4.38Å; F98-F112 HydrophobicContact CG-CD1 4.26Å; F98-F112 HydrophobicContact CG-CE1 4.46Å; F98-F112 HydrophobicContact CG-CG 4.41Å; F98-F112 HydrophobicContact CZ-CB 3.75Å; F98-F112 HydrophobicContact CZ-CD1 4.08Å; F98-F112 HydrophobicContact CZ-CG 4.08Å; V102-F112 HydrophobicContact CG2-CE1 4.38Å; V102-F112 HydrophobicContact CG2-CZ 4.31Å; I103-F112 HydrophobicContact CG1-CE2 4.05Å; I103-F112 HydrophobicContact CG1-CZ 4.22Å; A106-F112 HydrophobicContact CB-CZ 4.5Å; Y110-F112 PolarHBondContact O-N 2.86Å; F112-E114 VanDerWaalsContact C-OE2 3.31Å; F112-E114 WeakPolarHBondContact CA-OE2 3.3Å; F112-E114 PolarHBondContact O-N 2.86Å; F112-F115 WeakPolarHBondContact O-CB 3.25Å; F112-F115 PolarHBondContact O-N 2.91Å
113L94.9Very high95.6Very high115 Ų11559.8 Ų59.860%0.60232%0.318SS*.G310 helixtrans-64.4-28.8-178.7-74.5160.7000112.5Y110 F115 D116Y110-L113 HydrophobicContact CG-CD2 4.3Å; Y110-L113 WeakPolarHBondContact O-CG 3.25Å; L113-F115 PolarHBondContact O-N 2.84Å; L113-F115 VanDerWaalsContact O-N 3.13Å; L113-D116 WeakPolarHBondContact O-CB 3.32Å; L113-D116 PolarHBondContact O-N 2.92Å
114E94.1Very high95.6Very high116 Ų11664.2 Ų64.254%0.54234%0.338SS..G310 helixtrans-57.4-26177.361.1-86.4-160.400113.1F98 F112 D116 S117F98-E114 HydrophobicContact CZ-CG 4.21Å; F112-E114 VanDerWaalsContact C-OE2 3.31Å; F112-E114 WeakPolarHBondContact CA-OE2 3.3Å; F112-E114 PolarHBondContact O-N 2.86Å; E114-D116 VanDerWaalsContact C-N 3.26Å; E114-D116 PolarHBondContact O-N 2.96Å; E114-S117 PolarHBondContact O-OG 3.25Å
115F97.8Very high95.5Very high3 Ų364.6 Ų64.61%0.01333%0.333CS..G310 helixtrans-71.2-17.3179-168.8-113.3000113.4V9 L90 E93 F94 F98 F112 L113 S117 T118 I119V9-F115 HydrophobicContact CG2-CE1 4.44Å; L90-F115 HydrophobicContact CD1-CE1 3.67Å; L90-F115 HydrophobicContact CD1-CZ 4.06Å; E93-F115 HydrophobicContact CB-CE2 4.06Å; E93-F115 HydrophobicContact CB-CZ 3.92Å; F94-F115 HydrophobicContact CB-CE1 3.94Å; F94-F115 HydrophobicContact CB-CE2 4.26Å; F94-F115 HydrophobicContact CB-CZ 3.66Å; F94-F115 AromaticContact CD2-CD1 3.62Å; F94-F115 HydrophobicContact CD2-CD1 3.62Å; F94-F115 HydrophobicContact CD2-CD2 4.35Å; F94-F115 AromaticContact CD2-CE1 3.6Å; F94-F115 HydrophobicContact CD2-CE1 3.6Å; F94-F115 HydrophobicContact CD2-CE2 4.33Å; F94-F115 HydrophobicContact CD2-CG 4.02Å; F94-F115 AromaticContact CD2-CZ 3.98Å; F94-F115 HydrophobicContact CD2-CZ 3.98Å; F94-F115 HydrophobicContact CE2-CD1 4.27Å; F94-F115 HydrophobicContact CG-CE1 4.26Å; F94-F115 HydrophobicContact CG-CZ 4.34Å; F98-F115 HydrophobicContact CE2-CB 3.83Å; F98-F115 AromaticContact CE2-CD2 3.85Å; F98-F115 HydrophobicContact CE2-CD2 3.85Å; F98-F115 AromaticContact CE2-CG 3.94Å; F98-F115 HydrophobicContact CE2-CG 3.94Å; F98-F115 HydrophobicContact CZ-CB 4.14Å; F112-F115 WeakPolarHBondContact O-CB 3.25Å; F112-F115 PolarHBondContact O-N 2.91Å; L113-F115 PolarHBondContact O-N 2.84Å; L113-F115 VanDerWaalsContact O-N 3.13Å; F115-S117 PolarHBondContact O-N 3.35Å; F115-S117 VanDerWaalsContact O-N 3.15Å; F115-T118 HydrophobicContact CD2-CG2 4.4Å; F115-T118 HydrophobicContact CE2-CG2 3.74Å; F115-T118 HydrophobicContact CZ-CG2 4.15Å; F115-T118 WeakPolarHBondContact O-CB 3.4Å; F115-T118 PolarHBondContact O-N 2.81Å; F115-I119 HydrophobicContact CD1-CD1 3.73Å; F115-I119 HydrophobicContact CD1-CG1 3.58Å; F115-I119 HydrophobicContact CE1-CD1 4.06Å; F115-I119 HydrophobicContact CE1-CG1 3.6Å; F115-I119 HydrophobicContact CG-CG1 4.48Å; F115-I119 WeakPolarHBondContact O-CG1 3.43Å; F115-I119 PolarHBondContact O-N 2.9Å; F115-I119 VanDerWaalsContact O-N 3.08Å
116D97.2Very high95.5Very high32 Ų3258.7 Ų58.717%0.17130%0.302CS..Hα-helixtrans-52.1-39.4175.7-179.825.6000111.2S21 T22 L113 E114 T118 I119 Q120S21-D116 VanDerWaalsContact CA-OD1 3.22Å; S21-D116 WeakPolarHBondContact CA-OD1 3.43Å; T22-D116 VanDerWaalsContact CB-OD2 3.28Å; T22-D116 WeakPolarHBondContact CB-OD2 3.3Å; T22-D116 PolarHBondContact N-OD1 2.61Å; T22-D116 PolarHBondContact N-OD2 3.29Å; T22-D116 PolarHBondContact OG1-OD2 2.76Å; L113-D116 WeakPolarHBondContact O-CB 3.32Å; L113-D116 PolarHBondContact O-N 2.92Å; E114-D116 VanDerWaalsContact C-N 3.26Å; E114-D116 PolarHBondContact O-N 2.96Å; D116-T118 VanDerWaalsContact C-N 3.3Å; D116-T118 PolarHBondContact O-N 3.1Å; D116-I119 WeakPolarHBondContact O-CB 3.17Å; D116-I119 PolarHBondContact O-N 3.14Å; D116-I119 VanDerWaalsContact O-N 3.09Å; D116-Q120 WeakPolarHBondContact O-CG 3.48Å; D116-Q120 PolarHBondContact O-N 2.58Å; D116-Q120 WeakPolarHBondContact OD1-CG 3.5Å; D116-Q120 PolarHBondContact OD1-NE2 3.3Å
117S96.4Very high95.5Very high66 Ų6660 Ų6046%0.46231%0.307SS..Hα-helixtrans-57.8-39.5177.867.40000113.6E114 F115 K121E114-S117 PolarHBondContact O-OG 3.25Å; F115-S117 PolarHBondContact O-N 3.35Å; F115-S117 VanDerWaalsContact O-N 3.15Å; S117-K121 WeakPolarHBondContact O-CG 3.22Å; S117-K121 PolarHBondContact O-N 3.31Å
118T97.6Very high95.4Very high29 Ų2962.5 Ų62.518%0.17830%0.303CS..Hα-helixtrans-71-42.5175-56.70000110.9E93 F115 D116 Q120 K121 L122E93-T118 HydrophobicContact CB-CG2 3.82Å; E93-T118 HydrophobicContact CG-CG2 3.95Å; F115-T118 HydrophobicContact CD2-CG2 4.4Å; F115-T118 HydrophobicContact CE2-CG2 3.74Å; F115-T118 HydrophobicContact CZ-CG2 4.15Å; F115-T118 WeakPolarHBondContact O-CB 3.4Å; F115-T118 PolarHBondContact O-N 2.81Å; D116-T118 VanDerWaalsContact C-N 3.3Å; D116-T118 PolarHBondContact O-N 3.1Å; T118-Q120 VanDerWaalsContact C-N 3.33Å; T118-Q120 PolarHBondContact O-N 2.77Å; T118-K121 PolarHBondContact O-N 3.27Å; T118-L122 PolarHBondContact O-N 2.89Å
119I97.5Very high94.9Very high0 Ų057.9 Ų57.90%030%0.298CS..Hα-helixtrans-57.8-45.7175.8-57.7178.8000110.9A7 L90 F115 D116 L122 K123A7-I119 HydrophobicContact CB-CG2 3.59Å; L90-I119 HydrophobicContact CD1-CG1 3.85Å; F115-I119 HydrophobicContact CD1-CD1 3.73Å; F115-I119 HydrophobicContact CD1-CG1 3.58Å; F115-I119 HydrophobicContact CE1-CD1 4.06Å; F115-I119 HydrophobicContact CE1-CG1 3.6Å; F115-I119 HydrophobicContact CG-CG1 4.48Å; F115-I119 WeakPolarHBondContact O-CG1 3.43Å; F115-I119 PolarHBondContact O-N 2.9Å; F115-I119 VanDerWaalsContact O-N 3.08Å; D116-I119 WeakPolarHBondContact O-CB 3.17Å; D116-I119 PolarHBondContact O-N 3.14Å; D116-I119 VanDerWaalsContact O-N 3.09Å; I119-L122 PolarHBondContact O-N 3.09Å; I119-K123 HydrophobicContact CG2-CD 3.88Å; I119-K123 HydrophobicContact CG2-CG 4.26Å; I119-K123 WeakPolarHBondContact O-CB 3.44Å; I119-K123 VanDerWaalsContact O-CG 3.3Å; I119-K123 WeakPolarHBondContact O-CG 3.46Å; I119-K123 PolarHBondContact O-N 2.97Å
120Q96.1Very high94.1Very high61 Ų6155.6 Ų55.629%0.28529%0.288SS..Hα-helixtrans-63.3-43.6179.4-64.7-57.5-22.800112T22 D116 T118 L122 K123 Q124T22-Q120 VanDerWaalsContact N-NE2 3.12Å; T22-Q120 PolarHBondContact O-NE2 2.91Å; D116-Q120 WeakPolarHBondContact O-CG 3.48Å; D116-Q120 PolarHBondContact O-N 2.58Å; D116-Q120 WeakPolarHBondContact OD1-CG 3.5Å; D116-Q120 PolarHBondContact OD1-NE2 3.3Å; T118-Q120 VanDerWaalsContact C-N 3.33Å; T118-Q120 PolarHBondContact O-N 2.77Å; Q120-L122 VanDerWaalsContact C-N 3.33Å; Q120-L122 PolarHBondContact O-N 3.33Å; Q120-K123 PolarHBondContact O-N 2.7Å; Q120-Q124 VanDerWaalsContact O-CB 3.26Å; Q120-Q124 WeakPolarHBondContact O-CB 3.29Å; Q120-Q124 PolarHBondContact O-N 3.18Å
121K95.4Very high93.5Very high144 Ų14453 Ų5363%0.62628%0.281SS*.Hα-helixtrans-58.5-46.2176.1-73.4171.8-176.6175.80111.2S117 T118 Q124 Q125S117-K121 WeakPolarHBondContact O-CG 3.22Å; S117-K121 PolarHBondContact O-N 3.31Å; T118-K121 PolarHBondContact O-N 3.27Å; K121-Q124 PolarHBondContact O-N 3.44Å; K121-Q125 PolarHBondContact O-N 3.15Å
122L95.5Very high92.9Very high15 Ų1553.1 Ų53.18%0.07928%0.281CS..Hα-helixtrans-66.1-45179.8-169.266.3000111.8F86 D89 L90 T118 I119 Q120 Q124 Q125 Y126F86-L122 HydrophobicContact CD2-CD2 3.89Å; F86-L122 HydrophobicContact CD2-CG 3.84Å; F86-L122 HydrophobicContact CE2-CB 4.13Å; F86-L122 HydrophobicContact CE2-CD2 3.71Å; F86-L122 HydrophobicContact CE2-CG 3.69Å; F86-L122 HydrophobicContact CZ-CD2 4.44Å; D89-L122 HydrophobicContact CB-CD1 3.76Å; D89-L122 HydrophobicContact CB-CD2 3.78Å; D89-L122 HydrophobicContact CB-CG 4.35Å; L90-L122 HydrophobicContact CB-CD2 3.92Å; L90-L122 HydrophobicContact CD1-CD2 4.45Å; T118-L122 PolarHBondContact O-N 2.89Å; I119-L122 PolarHBondContact O-N 3.09Å; Q120-L122 VanDerWaalsContact C-N 3.33Å; Q120-L122 PolarHBondContact O-N 3.33Å; L122-Q124 VanDerWaalsContact C-N 3.3Å; L122-Q124 PolarHBondContact O-N 2.79Å; L122-Q125 WeakPolarHBondContact O-CB 3.41Å; L122-Q125 PolarHBondContact O-N 2.84Å; L122-Y126 HydrophobicContact CD1-CD2 4.08Å; L122-Y126 HydrophobicContact CD1-CE2 3.82Å; L122-Y126 HydrophobicContact CG-CD2 4.24Å; L122-Y126 HydrophobicContact CG-CE2 4.27Å; L122-Y126 WeakPolarHBondContact O-CD2 3.21Å; L122-Y126 PolarHBondContact O-N 2.97Å
123K94.9Very high92.1Very high13 Ų1356.2 Ų56.26%0.05731%0.31CS..Hα-helixtrans-58-44.6174.2-75.2173.867.6-168.20111.3I4 L5 A7 S21 F86 I119 Q120 Y126 N127I4-K123 HydrophobicContact CG2-CG 4.07Å; L5-K123 WeakPolarHBondContact O-CE 3.3Å; L5-K123 PolarHBondContact O-NZ 2.86Å; A7-K123 HydrophobicContact CB-CD 4.4Å; S21-K123 PolarHBondContact OG-NZ 3.32Å; S21-K123 VanDerWaalsContact OG-NZ 3.08Å; F86-K123 HydrophobicContact CE2-CB 4.5Å; F86-K123 HydrophobicContact CE2-CG 3.8Å; F86-K123 HydrophobicContact CZ-CG 3.71Å; I119-K123 HydrophobicContact CG2-CD 3.88Å; I119-K123 HydrophobicContact CG2-CG 4.26Å; I119-K123 WeakPolarHBondContact O-CB 3.44Å; I119-K123 VanDerWaalsContact O-CG 3.3Å; I119-K123 WeakPolarHBondContact O-CG 3.46Å; I119-K123 PolarHBondContact O-N 2.97Å; Q120-K123 PolarHBondContact O-N 2.7Å; K123-Y126 PolarHBondContact O-N 3.3Å; K123-N127 VanDerWaalsContact O-CB 3.28Å; K123-N127 WeakPolarHBondContact O-CB 3.38Å; K123-N127 VanDerWaalsContact O-CG 3.29Å; K123-N127 PolarHBondContact O-N 2.89Å; K123-N127 PolarHBondContact O-ND2 3.25Å
124Q93.7Very high91.4Very high105 Ų10556.4 Ų56.449%0.49131%0.311SS..Hα-helixtrans-63.1-46.8179.5-177.3177.53.400111Q120 K121 L122 Y126 N127 Q128Q120-Q124 VanDerWaalsContact O-CB 3.26Å; Q120-Q124 WeakPolarHBondContact O-CB 3.29Å; Q120-Q124 PolarHBondContact O-N 3.18Å; K121-Q124 PolarHBondContact O-N 3.44Å; L122-Q124 VanDerWaalsContact C-N 3.3Å; L122-Q124 PolarHBondContact O-N 2.79Å; Q124-Y126 PolarHBondContact O-N 3.48Å; Q124-N127 PolarHBondContact O-N 3.36Å; Q124-Q128 HydrophobicContact CG-CG 4.24Å; Q124-Q128 VanDerWaalsContact NE2-NE2 3.12Å; Q124-Q128 WeakPolarHBondContact O-CB 3.32Å; Q124-Q128 VanDerWaalsContact O-CG 3.25Å; Q124-Q128 WeakPolarHBondContact O-CG 3.5Å; Q124-Q128 PolarHBondContact O-N 2.94Å
125Q93.7Very high90.7Very high68 Ų6859.1 Ų59.132%0.31832%0.324SS..Hα-helixtrans-52.2-59174.6179.8-161.1-69.500110.1K121 L122 N127 Q128 S129K121-Q125 PolarHBondContact O-N 3.15Å; L122-Q125 WeakPolarHBondContact O-CB 3.41Å; L122-Q125 PolarHBondContact O-N 2.84Å; Q125-N127 VanDerWaalsContact C-N 3.31Å; Q125-N127 PolarHBondContact O-N 2.84Å; Q125-Q128 PolarHBondContact O-N 3.46Å; Q125-S129 WeakPolarHBondContact O-CB 3.42Å; Q125-S129 PolarHBondContact O-N 3.37Å; Q125-S129 PolarHBondContact O-OG 3.14Å
126Y94.3Very high89.7Confident9 Ų963.4 Ų63.44%0.03535%0.35CS..Hα-helixtrans-61-37.2-176.4-89.8-102.6000113.8I4 C85 F86 D89 L122 K123 Q124 Q128 G130 P132I4-Y126 HydrophobicContact CD1-CD1 3.99Å; I4-Y126 HydrophobicContact CD1-CG 3.98Å; C85-Y126 HydrophobicContact CB-CE1 4.05Å; C85-Y126 VanDerWaalsContact CB-OH 3.29Å; C85-Y126 WeakPolarHBondContact CB-OH 3.17Å; C85-Y126 PolarHBondContact O-OH 2.86Å; F86-Y126 HydrophobicContact CB-CD1 3.94Å; F86-Y126 HydrophobicContact CB-CD2 4.48Å; F86-Y126 HydrophobicContact CB-CE1 3.76Å; F86-Y126 HydrophobicContact CB-CE2 4.32Å; F86-Y126 HydrophobicContact CB-CG 4.29Å; F86-Y126 AromaticContact CD2-CD2 3.89Å; F86-Y126 HydrophobicContact CD2-CD2 3.89Å; F86-Y126 HydrophobicContact CD2-CE2 4.23Å; F86-Y126 HydrophobicContact CD2-CG 4.04Å; F86-Y126 PolarHBondContact N-OH 3.23Å; D89-Y126 WeakPolarHBondContact OD2-CE2 3.45Å; D89-Y126 VanDerWaalsContact OD2-CZ 3.27Å; D89-Y126 PolarHBondContact OD2-OH 3.24Å; L122-Y126 HydrophobicContact CD1-CD2 4.08Å; L122-Y126 HydrophobicContact CD1-CE2 3.82Å; L122-Y126 HydrophobicContact CG-CD2 4.24Å; L122-Y126 HydrophobicContact CG-CE2 4.27Å; L122-Y126 WeakPolarHBondContact O-CD2 3.21Å; L122-Y126 PolarHBondContact O-N 2.97Å; K123-Y126 PolarHBondContact O-N 3.3Å; Q124-Y126 PolarHBondContact O-N 3.48Å; Y126-Q128 VanDerWaalsContact C-N 3.33Å; Y126-G130 WeakPolarHBondContact O-CA 3.45Å; Y126-G130 PolarHBondContact O-N 2.95Å; Y126-P132 WeakPolarHBondContact OH-CA 3.35Å; Y126-P132 WeakPolarHBondContact OH-CB 3.39Å
127N93.1Very high88.9Confident41 Ų4162.6 Ų62.622%0.21935%0.346CS..Hα-helixtrans-73.5-23.8178.3-76.1-38.9000113.2L3 I4 K123 Q124 Q125L3-N127 PolarHBondContact N-OD1 3.39Å; I4-N127 PolarHBondContact N-OD1 3.22Å; I4-N127 PolarHBondContact O-ND2 3.39Å; K123-N127 VanDerWaalsContact O-CB 3.28Å; K123-N127 WeakPolarHBondContact O-CB 3.38Å; K123-N127 VanDerWaalsContact O-CG 3.29Å; K123-N127 PolarHBondContact O-N 2.89Å; K123-N127 PolarHBondContact O-ND2 3.25Å; Q124-N127 PolarHBondContact O-N 3.36Å; Q125-N127 VanDerWaalsContact C-N 3.31Å; Q125-N127 PolarHBondContact O-N 2.84Å
128Q90.7Very high88.5Confident145 Ų14561.9 Ų61.968%0.67834%0.337SS*.Hα-helixtrans-96-51.6-179.7-69.7-177.4-11.800112.8Q124 Q125 Y126 G130Q124-Q128 HydrophobicContact CG-CG 4.24Å; Q124-Q128 VanDerWaalsContact NE2-NE2 3.12Å; Q124-Q128 WeakPolarHBondContact O-CB 3.32Å; Q124-Q128 VanDerWaalsContact O-CG 3.25Å; Q124-Q128 WeakPolarHBondContact O-CG 3.5Å; Q124-Q128 PolarHBondContact O-N 2.94Å; Q125-Q128 PolarHBondContact O-N 3.46Å; Y126-Q128 VanDerWaalsContact C-N 3.33Å; Q128-G130 VanDerWaalsContact C-N 3.31Å
129S84.6Confident88Confident79 Ų7963.4 Ų63.455%0.55235%0.352SS*.Hα-helixtrans-77.3-20.1178.966.90000112.5Q125 G131Q125-S129 WeakPolarHBondContact O-CB 3.42Å; Q125-S129 PolarHBondContact O-N 3.37Å; Q125-S129 PolarHBondContact O-OG 3.14Å; S129-G131 PolarHBondContact OG-N 3.22Å; S129-G131 PolarHBondContact OG-O 3.23Å
130G80.1Confident87.6Confident31 Ų3169 Ų6932%0.3238%0.379SS..SBendtrans77.716.8-179.100000114.2K82 Y126 Q128K82-G130 VanDerWaalsContact CD-O 3.23Å; K82-G130 WeakPolarHBondContact CD-O 3.47Å; K82-G130 WeakPolarHBondContact CE-O 3.33Å; K82-G130 PolarHBondContact NZ-O 3.43Å; Y126-G130 WeakPolarHBondContact O-CA 3.45Å; Y126-G130 PolarHBondContact O-N 2.95Å; Q128-G130 VanDerWaalsContact C-N 3.31Å
131G83.3Confident87.3Confident8 Ų866.9 Ų66.98%0.08237%0.37CS..SBendtrans174-173.8178.700000115.2S129S129-G131 PolarHBondContact OG-N 3.22Å; S129-G131 PolarHBondContact OG-O 3.23Å
132P83.1Confident87Confident18 Ų1865 Ų6512%0.11736%0.363CS..  trans-60.915417225.9-32.7000110.9C85 Y126 L134 T137 L138C85-P132 HydrophobicContact CB-CB 4.39Å; C85-P132 HydrophobicContact CB-CG 4.21Å; Y126-P132 WeakPolarHBondContact OH-CA 3.35Å; Y126-P132 WeakPolarHBondContact OH-CB 3.39Å; P132-L134 VanDerWaalsContact C-N 3.26Å; P132-L134 PolarHBondContact O-N 3.21Å; P132-T137 HydrophobicContact CB-CG2 4.24Å; P132-L138 HydrophobicContact CG-CB 3.88Å
133A79.9Confident86.8Confident83 Ų8368.2 Ų68.269%0.68638%0.378SS*.SBendtrans-66.7-29.5177.800000112.5
134L79.8Confident86.6Confident118 Ų11869.6 Ų69.662%0.61839%0.386SS*.SBendtrans-109.1123.7177.7-62.3174.4000109.7P132 V136 T137P132-L134 VanDerWaalsContact C-N 3.26Å; P132-L134 PolarHBondContact O-N 3.21Å; L134-V136 PolarHBondContact O-N 3.06Å; L134-T137 WeakPolarHBondContact O-CB 3.49Å; L134-T137 PolarHBondContact O-N 3.46Å; L134-T137 PolarHBondContact O-OG1 2.93Å
135E79.1Confident86.4Confident173 Ų17365.4 Ų65.481%0.80837%0.366SS*.Hα-helixtrans-64.1-28177.6-67.4-166.7149.600112.7T137 L138 A139E135-T137 VanDerWaalsContact C-N 3.27Å; E135-T137 PolarHBondContact O-N 3.45Å; E135-L138 WeakPolarHBondContact O-CB 3.45Å; E135-L138 PolarHBondContact O-N 2.9Å; E135-A139 PolarHBondContact O-N 2.84Å; E135-A139 VanDerWaalsContact O-N 3.14Å
136V77.6Confident86.2Confident94 Ų9470.3 Ų70.357%0.5738%0.382SS*.Hα-helixtrans-57.9-41.1175.3179.30000110.9L134 L138 A139 E140L134-V136 PolarHBondContact O-N 3.06Å; V136-L138 VanDerWaalsContact C-N 3.26Å; V136-L138 PolarHBondContact O-N 3.08Å; V136-A139 PolarHBondContact O-N 3.11Å; V136-A139 VanDerWaalsContact O-N 3.13Å; V136-E140 HydrophobicContact CG1-CG 4.24Å; V136-E140 WeakPolarHBondContact O-CG 3.11Å; V136-E140 PolarHBondContact O-N 3.12Å
137T80.4Confident86Confident14 Ų1475.1 Ų75.19%0.08641%0.407CS..Hα-helixtrans-58.5-39.3176.3-51.10000111.5W92 P132 L134 E135 V141W92-T137 HydrophobicContact CH2-CG2 4.3Å; W92-T137 HydrophobicContact CZ3-CG2 4.12Å; P132-T137 HydrophobicContact CB-CG2 4.24Å; L134-T137 WeakPolarHBondContact O-CB 3.49Å; L134-T137 PolarHBondContact O-N 3.46Å; L134-T137 PolarHBondContact O-OG1 2.93Å; E135-T137 VanDerWaalsContact C-N 3.27Å; E135-T137 PolarHBondContact O-N 3.45Å; T137-V141 WeakPolarHBondContact O-CB 3.3Å; T137-V141 VanDerWaalsContact O-CG2 3.28Å; T137-V141 WeakPolarHBondContact O-CG2 3.49Å; T137-V141 PolarHBondContact O-N 2.92Å
138L88.7Confident85.7Confident52 Ų5279.2 Ų79.227%0.27242%0.42SS..Hα-helixtrans-67.1-42.5177.3-177.262000111.9A81 K82 P132 E135 V136 Q142A81-L138 HydrophobicContact CB-CD1 3.88Å; K82-L138 HydrophobicContact CG-CD1 4.07Å; P132-L138 HydrophobicContact CG-CB 3.88Å; E135-L138 WeakPolarHBondContact O-CB 3.45Å; E135-L138 PolarHBondContact O-N 2.9Å; V136-L138 VanDerWaalsContact C-N 3.26Å; V136-L138 PolarHBondContact O-N 3.08Å; L138-Q142 WeakPolarHBondContact O-CB 3.16Å; L138-Q142 PolarHBondContact O-N 3.31Å
139A86.1Confident85.7Confident61 Ų6176.4 Ų76.450%0.50441%0.414SS..Hα-helixtrans-65.2-43.7178.900000111.9E135 V136 Q142 E143E135-A139 PolarHBondContact O-N 2.84Å; E135-A139 VanDerWaalsContact O-N 3.14Å; V136-A139 PolarHBondContact O-N 3.11Å; V136-A139 VanDerWaalsContact O-N 3.13Å; A139-Q142 PolarHBondContact O-N 3.42Å; A139-E143 PolarHBondContact O-N 2.98Å
140E89.1Confident86Confident118 Ų11874.3 Ų74.355%0.55140%0.398SS*.Hα-helixtrans-62.4-49.1177.5-72.5177.1169.900111.8V136 Q142 E143 D144V136-E140 HydrophobicContact CG1-CG 4.24Å; V136-E140 WeakPolarHBondContact O-CG 3.11Å; V136-E140 PolarHBondContact O-N 3.12Å; E140-Q142 VanDerWaalsContact C-N 3.32Å; E140-Q142 PolarHBondContact O-N 3.36Å; E140-E143 PolarHBondContact O-N 2.66Å; E140-D144 WeakPolarHBondContact O-CB 3.43Å; E140-D144 PolarHBondContact O-N 3.03Å
141V90.1Very high86.5Confident16 Ų1678.3 Ų78.310%0.09741%0.409CS..Hα-helixtrans-64-39.8177.3170.90000110.9F84 E88 T137 E143 D144 L145F84-V141 HydrophobicContact CB-CG1 3.71Å; E88-V141 HydrophobicContact CG-CG2 4.38Å; T137-V141 WeakPolarHBondContact O-CB 3.3Å; T137-V141 VanDerWaalsContact O-CG2 3.28Å; T137-V141 WeakPolarHBondContact O-CG2 3.49Å; T137-V141 PolarHBondContact O-N 2.92Å; V141-E143 PolarHBondContact O-N 3.45Å; V141-D144 PolarHBondContact O-N 2.84Å; V141-L145 HydrophobicContact CG1-CD1 3.85Å; V141-L145 HydrophobicContact CG1-CG 4.18Å; V141-L145 WeakPolarHBondContact O-CB 3.49Å; V141-L145 WeakPolarHBondContact O-CG 3.44Å; V141-L145 PolarHBondContact O-N 3.34Å
142Q90.3Very high86.9Confident105 Ų10583.3 Ų83.349%0.49143%0.433SS..Hα-helixtrans-63-41.7178.3-179.562.363.900112.1A81 L138 A139 E140 R146A81-Q142 HydrophobicContact CB-CB 4.42Å; L138-Q142 WeakPolarHBondContact O-CB 3.16Å; L138-Q142 PolarHBondContact O-N 3.31Å; A139-Q142 PolarHBondContact O-N 3.42Å; E140-Q142 VanDerWaalsContact C-N 3.32Å; E140-Q142 PolarHBondContact O-N 3.36Å; Q142-R146 PolarHBondContact O-N 3.18Å; Q142-R146 VanDerWaalsContact O-N 3.12Å
143E90.1Very high87.1Confident82 Ų8283.2 Ų83.238%0.38343%0.431SS..Hα-helixtrans-69.3-43.1175.9-17857.1-162.900111.2A139 E140 V141 L145 R146 I147A139-E143 PolarHBondContact O-N 2.98Å; E140-E143 PolarHBondContact O-N 2.66Å; V141-E143 PolarHBondContact O-N 3.45Å; E143-L145 VanDerWaalsContact C-N 3.31Å; E143-L145 PolarHBondContact O-N 2.86Å; E143-R146 WeakPolarHBondContact O-CA 3.46Å; E143-R146 VanDerWaalsContact O-CB 3.25Å; E143-R146 WeakPolarHBondContact O-CB 3.25Å; E143-R146 PolarHBondContact O-N 3.4Å; E143-R146 IonicContact OE1-CZ 2.79Å; E143-R146 IonicContact OE1-NE 3.78Å; E143-R146 PolarHBondContact OE1-NE 2.83Å; E143-R146 VanDerWaalsContact OE1-NE 3.15Å; E143-R146 IonicContact OE1-NH2 2.72Å; E143-R146 PolarHBondContact OE1-NH2 3.22Å; E143-R146 IonicContact OE2-CZ 3.27Å; E143-R146 IonicContact OE2-NE 2.84Å; E143-R146 PolarHBondContact OE2-NE 3.4Å; E143-R146 IonicContact OE2-NH2 3.31Å; E143-I147 HydrophobicContact CG-CD1 4.21Å; E143-I147 WeakPolarHBondContact O-CG1 3.48Å; E143-I147 PolarHBondContact O-N 3.41Å
144D89.9Confident87.2Confident42 Ų4283.5 Ų83.523%0.22542%0.422CS..Hα-helixtrans-61.6-38.3176.1-176.655.5000112.2R50 E140 V141 R146 I147 R148R50-D144 IonicContact CZ-OD2 3.66Å; R50-D144 IonicContact NH1-OD2 3.54Å; R50-D144 PolarHBondContact NH1-OD2 3.09Å; R50-D144 IonicContact NH2-OD2 2.7Å; R50-D144 PolarHBondContact NH2-OD2 3.13Å; E140-D144 WeakPolarHBondContact O-CB 3.43Å; E140-D144 PolarHBondContact O-N 3.03Å; V141-D144 PolarHBondContact O-N 2.84Å; D144-R146 VanDerWaalsContact C-N 3.29Å; D144-R146 PolarHBondContact O-N 3.45Å; D144-I147 PolarHBondContact O-N 2.92Å; D144-R148 WeakPolarHBondContact O-CA 3.46Å; D144-R148 PolarHBondContact O-N 3.17Å; D144-R148 IonicContact OD1-CZ 2.58Å; D144-R148 VanDerWaalsContact OD1-CZ 3.31Å; D144-R148 IonicContact OD1-NE 3.31Å; D144-R148 PolarHBondContact OD1-NE 3.47Å; D144-R148 IonicContact OD1-NH2 2.61Å; D144-R148 PolarHBondContact OD1-NH2 3.07Å; D144-R148 IonicContact OD2-NH2 3.33Å; D144-R148 PolarHBondContact OD2-NH2 3.36Å
145L90.4Very high86.6Confident16 Ų1679.6 Ų79.68%0.08440%0.404CS..Hα-helixtrans-68.4-26.9173.5-69.6172.3000112.9V80 A81 F84 V141 E143 R148 P149 P150V80-L145 HydrophobicContact CG1-CD1 4.47Å; A81-L145 HydrophobicContact CB-CD1 4.04Å; F84-L145 HydrophobicContact CB-CD1 4.12Å; F84-L145 HydrophobicContact CB-CD2 4.4Å; F84-L145 HydrophobicContact CD1-CD2 4.29Å; F84-L145 HydrophobicContact CD2-CD1 4.04Å; F84-L145 HydrophobicContact CD2-CD2 3.81Å; F84-L145 HydrophobicContact CE2-CD2 4.17Å; F84-L145 HydrophobicContact CG-CD1 4.28Å; F84-L145 HydrophobicContact CG-CD2 3.89Å; V141-L145 HydrophobicContact CG1-CD1 3.85Å; V141-L145 HydrophobicContact CG1-CG 4.18Å; V141-L145 WeakPolarHBondContact O-CB 3.49Å; V141-L145 WeakPolarHBondContact O-CG 3.44Å; V141-L145 PolarHBondContact O-N 3.34Å; E143-L145 VanDerWaalsContact C-N 3.31Å; E143-L145 PolarHBondContact O-N 2.86Å; L145-R148 CarbonylContact O-C 3.51Å; L145-P149 VanDerWaalsContact O-CA 3.24Å; L145-P149 WeakPolarHBondContact O-CA 3.47Å; L145-P150 HydrophobicContact CD2-CG 4.32Å
146R88.8Confident85.8Confident171 Ų17176.1 Ų76.165%0.64539%0.391SS*.Hα-helixtrans-69.8-40173.6-167.5-173.772.281.51.6110.9Q142 E143 D144Q142-R146 PolarHBondContact O-N 3.18Å; Q142-R146 VanDerWaalsContact O-N 3.12Å; E143-R146 WeakPolarHBondContact O-CA 3.46Å; E143-R146 VanDerWaalsContact O-CB 3.25Å; E143-R146 WeakPolarHBondContact O-CB 3.25Å; E143-R146 PolarHBondContact O-N 3.4Å; E143-R146 IonicContact OE1-CZ 2.79Å; E143-R146 IonicContact OE1-NE 3.78Å; E143-R146 PolarHBondContact OE1-NE 2.83Å; E143-R146 VanDerWaalsContact OE1-NE 3.15Å; E143-R146 IonicContact OE1-NH2 2.72Å; E143-R146 PolarHBondContact OE1-NH2 3.22Å; E143-R146 IonicContact OE2-CZ 3.27Å; E143-R146 IonicContact OE2-NE 2.84Å; E143-R146 PolarHBondContact OE2-NE 3.4Å; E143-R146 IonicContact OE2-NH2 3.31Å; D144-R146 VanDerWaalsContact C-N 3.29Å; D144-R146 PolarHBondContact O-N 3.45Å
147I89.8Confident84.8Confident110 Ų11078 Ų7856%0.56439%0.393SS*.Hα-helixtrans-77.3-42.4179.6-57.4169.8000110.7E143 D144E143-I147 HydrophobicContact CG-CD1 4.21Å; E143-I147 WeakPolarHBondContact O-CG1 3.48Å; E143-I147 PolarHBondContact O-N 3.41Å; D144-I147 PolarHBondContact O-N 2.92Å
148R88.2Confident84Confident127 Ų12777.7 Ų77.748%0.47939%0.392SS..SBendtrans-12979.5-175.4-63.7-174.3-65170.7-1.7110.2R50 D144 L145R50-R148 WeakPolarHBondContact CD-O 3.47Å; R50-R148 PolarHBondContact NH1-O 3.05Å; D144-R148 WeakPolarHBondContact O-CA 3.46Å; D144-R148 PolarHBondContact O-N 3.17Å; D144-R148 IonicContact OD1-CZ 2.58Å; D144-R148 VanDerWaalsContact OD1-CZ 3.31Å; D144-R148 IonicContact OD1-NE 3.31Å; D144-R148 PolarHBondContact OD1-NE 3.47Å; D144-R148 IonicContact OD1-NH2 2.61Å; D144-R148 PolarHBondContact OD1-NH2 3.07Å; D144-R148 IonicContact OD2-NH2 3.33Å; D144-R148 PolarHBondContact OD2-NH2 3.36Å; L145-R148 CarbonylContact O-C 3.51Å
149P89.9Confident82.5Confident87 Ų8781 Ų8157%0.56541%0.406SS*.PPolyproline II helixtrans-64.5146.7-178.126.4-34.4000111.3L145 Q151L145-P149 VanDerWaalsContact O-CA 3.24Å; L145-P149 WeakPolarHBondContact O-CA 3.47Å; P149-Q151 PolarHBondContact O-N 2.87Å
150P90.6Very high80.7Confident34 Ų3484.4 Ų84.422%0.22142%0.415CS..PPolyproline II helixtrans-68.8134.6177.529.2-32.4000109.9V80 F84 L145V80-P150 HydrophobicContact CG1-CG 4.35Å; F84-P150 HydrophobicContact CE1-CB 4.44Å; F84-P150 HydrophobicContact CE2-CB 3.8Å; F84-P150 HydrophobicContact CE2-CG 3.78Å; F84-P150 HydrophobicContact CZ-CB 3.49Å; F84-P150 VanDerWaalsContact CZ-CB 3.49Å; F84-P150 HydrophobicContact CZ-CG 4.02Å; L145-P150 HydrophobicContact CD2-CG 4.32Å
151Q91.6Very high78.9Confident115 Ų11580.9 Ų80.954%0.53740%0.401SS..EExtended strand (participates in β ladder)trans-73.1136179.3-64.7-165.14.100110.5P48 R50 G51 T52 P149 I153P48-Q151 HydrophobicContact CB-CB 4.47Å; P48-Q151 HydrophobicContact CB-CG 4.16Å; P48-Q151 HydrophobicContact CG-CB 3.8Å; P48-Q151 HydrophobicContact CG-CG 4.02Å; R50-Q151 PolarHBondContact O-N 3.24Å; G51-Q151 CarbonylContact C-O 3.59Å; G51-Q151 WeakPolarHBondContact CA-O 3.47Å; T52-Q151 PolarHBondContact N-O 3.09Å; P149-Q151 PolarHBondContact O-N 2.87Å; Q151-I153 HydrophobicContact CB-CD1 4.19Å; Q151-I153 PolarHBondContact O-N 3.2Å
152L90.6Very high77Confident114 Ų11481.3 Ų81.360%0.59740%0.403SS*.EExtended strand (participates in β ladder)trans-77.9113.6172.9-177.667.2000108.4T52 K54T52-L152 WeakPolarHBondContact O-CA 3.49Å; K54-L152 HydrophobicContact CB-CD1 4.35Å; K54-L152 HydrophobicContact CD-CD1 4Å; K54-L152 HydrophobicContact CG-CD1 3.77Å
153I88.4Confident74.9Confident15 Ų1579.5 Ų79.58%0.07741%0.413CS..  trans-91.8124.9178.3-49.4-55.3000108.4L47 P48 T52 V53 F62 Q151 V158L47-I153 HydrophobicContact CD2-CD1 4.25Å; L47-I153 HydrophobicContact CD2-CG2 4.09Å; P48-I153 HydrophobicContact CG-CD1 3.79Å; T52-I153 PolarHBondContact O-N 3.17Å; V53-I153 HydrophobicContact CG2-CB 4.05Å; F62-I153 HydrophobicContact CE1-CG1 3.98Å; F62-I153 HydrophobicContact CZ-CG1 4.09Å; Q151-I153 HydrophobicContact CB-CD1 4.19Å; Q151-I153 PolarHBondContact O-N 3.2Å; I153-V158 HydrophobicContact CG2-CG2 3.39Å
154N80.9Confident72.7Confident90 Ų9081.7 Ų81.748%0.48143%0.432SS..  trans-78.6135173.5-163.71.5000110D156 E157N154-D156 VanDerWaalsContact C-N 3.26Å; N154-D156 PolarHBondContact O-N 3.11Å; N154-E157 PolarHBondContact O-N 3.45Å
155S68.2Low70.5Confident35 Ų3582.1 Ų82.125%0.24544%0.441CS..Hα-helixtrans-64.2-34-176.8-63.10000111.9V53 E157 V158 E159V53-S155 WeakPolarHBondContact CG1-OG 3.45Å; S155-E157 VanDerWaalsContact C-N 3.35Å; S155-E157 PolarHBondContact O-N 2.62Å; S155-V158 PolarHBondContact O-N 3.45Å; S155-E159 PolarHBondContact O-N 3.36Å
156D61.7Low68Low101 Ų10185.8 Ų85.854%0.5446%0.461SS..Hα-helixtrans-68.4-32.4-177.4-52.8-30.9000112.8N154 E159 L160N154-D156 VanDerWaalsContact C-N 3.26Å; N154-D156 PolarHBondContact O-N 3.11Å; D156-E159 PolarHBondContact O-N 3.37Å; D156-L160 WeakPolarHBondContact O-CD1 3.21Å; D156-L160 PolarHBondContact O-N 3.44Å; D156-L160 VanDerWaalsContact O-N 3.17Å
157E57.8Low65.7Low132 Ų13281.2 Ų81.262%0.61747%0.467SS*.Hα-helixtrans-73.2-33.1-179.9-169.5175.2-178.900111.8N154 S155 E159 T161N154-E157 PolarHBondContact O-N 3.45Å; S155-E157 VanDerWaalsContact C-N 3.35Å; S155-E157 PolarHBondContact O-N 2.62Å; E157-E159 VanDerWaalsContact C-N 3.35Å; E157-T161 WeakPolarHBondContact O-CG2 3.18Å; E157-T161 PolarHBondContact O-N 3.19Å; E157-T161 PolarHBondContact O-OG1 3.39Å; E157-T161 VanDerWaalsContact O-OG1 3.11Å
158V61.9Low63Low8 Ų884.1 Ų84.15%0.04848%0.478CS..Hα-helixtrans-70.2-31.9176.2175.10000111.5T39 I40 S43 L47 I153 S155 T161 N162T39-V158 HydrophobicContact CG2-CG1 4.05Å; I40-V158 HydrophobicContact CG1-CG1 4.03Å; S43-V158 WeakPolarHBondContact OG-CG1 3.44Å; L47-V158 HydrophobicContact CD2-CG2 4.5Å; I153-V158 HydrophobicContact CG2-CG2 3.39Å; S155-V158 PolarHBondContact O-N 3.45Å; V158-T161 PolarHBondContact O-OG1 3.36Å; V158-N162 PolarHBondContact O-ND2 2.9Å
159E57.3Low60.6Low123 Ų12384.8 Ų84.858%0.57549%0.489SS*.Hα-helixtrans-77.3-40.9176-71.6-170.416700112.8S155 D156 E157 T161 N162 G163S155-E159 PolarHBondContact O-N 3.36Å; D156-E159 PolarHBondContact O-N 3.37Å; E157-E159 VanDerWaalsContact C-N 3.35Å; E159-T161 VanDerWaalsContact C-N 3.31Å; E159-T161 PolarHBondContact O-N 3.37Å; E159-N162 PolarHBondContact O-N 2.68Å; E159-G163 PolarHBondContact O-N 3.09Å; E159-G163 VanDerWaalsContact O-N 3.17Å
160L50.1Low57.9Low132 Ų13285.5 Ų85.569%0.69149%0.485SS*.Hα-helixtrans-59.7-40.8178.7-107.885.1000112.6D156 N162 G163 T164D156-L160 WeakPolarHBondContact O-CD1 3.21Å; D156-L160 PolarHBondContact O-N 3.44Å; D156-L160 VanDerWaalsContact O-N 3.17Å; L160-N162 VanDerWaalsContact C-N 3.33Å; L160-N162 PolarHBondContact O-N 3.17Å; L160-G163 PolarHBondContact O-N 3Å; L160-T164 PolarHBondContact O-N 3.37Å; L160-T164 PolarHBondContact O-OG1 3.44Å; L160-T164 VanDerWaalsContact O-OG1 3.1Å
161T50.4Low55.4Low43 Ų4393 Ų9326%0.26452%0.517SS..Hα-helixtrans-71.6-26.7-178.551.40000113.4R46 E157 V158 E159R46-T161 PolarHBondContact NH1-O 3.48Å; E157-T161 WeakPolarHBondContact O-CG2 3.18Å; E157-T161 PolarHBondContact O-N 3.19Å; E157-T161 PolarHBondContact O-OG1 3.39Å; E157-T161 VanDerWaalsContact O-OG1 3.11Å; V158-T161 PolarHBondContact O-OG1 3.36Å; E159-T161 VanDerWaalsContact C-N 3.31Å; E159-T161 PolarHBondContact O-N 3.37Å
162N50Low52.7Low25 Ų2590.6 Ų90.613%0.13452%0.517CS..Hα-helixtrans-74.2-32.5171.8-79.5-31.1000111.9T39 V158 E159 L160 T164 N166T39-N162 WeakPolarHBondContact CG2-ND2 3.45Å; T39-N162 PolarHBondContact O-ND2 3.42Å; V158-N162 PolarHBondContact O-ND2 2.9Å; E159-N162 PolarHBondContact O-N 2.68Å; L160-N162 VanDerWaalsContact C-N 3.33Å; L160-N162 PolarHBondContact O-N 3.17Å; N162-T164 VanDerWaalsContact C-N 3.34Å; N162-T164 PolarHBondContact O-N 3.1Å; N162-N166 PolarHBondContact O-N 3.45Å
163G47Very low50.1Low67 Ų6788.9 Ų88.969%0.69153%0.527SS*.Hα-helixtrans-65.1-31.9176.100000114.1E159 L160E159-G163 PolarHBondContact O-N 3.09Å; E159-G163 VanDerWaalsContact O-N 3.17Å; L160-G163 PolarHBondContact O-N 3Å
164T43.1Very low47.8Very low129 Ų12993.6 Ų93.679%0.79156%0.556SS**Hα-helixtrans-88.1-20.6-179.6-13.60000113.8L160 N162L160-T164 PolarHBondContact O-N 3.37Å; L160-T164 PolarHBondContact O-OG1 3.44Å; L160-T164 VanDerWaalsContact O-OG1 3.1Å; N162-T164 VanDerWaalsContact C-N 3.34Å; N162-T164 PolarHBondContact O-N 3.1Å
165A43.3Very low45.8Very low50 Ų5096.6 Ų96.641%0.41357%0.572SS.*Hα-helixtrans-97.6-16.3-174.200000114.2G167A165-G167 PolarHBondContact O-N 2.91Å
166N38.7Very low44.9Very low93 Ų9399.3 Ų99.350%0.49758%0.581SS.*  trans-85.273.2-176-82.8-2.6000112.9N162 H168N162-N166 PolarHBondContact O-N 3.45Å; N166-H168 VanDerWaalsContact C-N 3.28Å
167G40.4Very low44.5Very low75 Ų75104.6 Ų104.677%0.77359%0.593SS**  trans-87.513.3159.500000113.7A165A165-G167 PolarHBondContact O-N 2.91Å
168H32.5Very low44.6Very low171 Ų17199.2 Ų99.279%0.79257%0.569SS**SBendtrans-139.9134.9178.9-136.365.1000111.9N166 E170N166-H168 VanDerWaalsContact C-N 3.28Å; H168-E170 PolarHBondContact O-N 3.24Å
169I39Very low44.9Very low141 Ų141102.8 Ų102.872%0.72359%0.585SS**  trans-58.5115.3-172.5-69.3163.8000110.1Q171I169-Q171 VanDerWaalsContact C-N 3.25Å; I169-Q171 HydrophobicContact CG2-CB 4.43Å; I169-Q171 HydrophobicContact CG2-CG 4.22Å; I169-Q171 PolarHBondContact O-N 3.24Å
170E31.7Very low45.5Very low103 Ų103102.2 Ų102.248%0.48159%0.592SS.*  trans-65.891.2157.3-77.3-171-162.400108.8K42 H168 A172K42-E170 IonicContact NZ-OE1 2.62Å; K42-E170 PolarHBondContact NZ-OE1 3.17Å; K42-E170 IonicContact NZ-OE2 2.9Å; K42-E170 PolarHBondContact NZ-OE2 3.48Å; H168-E170 PolarHBondContact O-N 3.24Å; E170-A172 PolarHBondContact O-N 3.24Å
171Q37.8Very low46.9Very low191 Ų19198.5 Ų98.589%0.89357%0.574SS**  trans-80.665.5154.3-109.3178.2-3200108.4I169I169-Q171 VanDerWaalsContact C-N 3.25Å; I169-Q171 HydrophobicContact CG2-CB 4.43Å; I169-Q171 HydrophobicContact CG2-CG 4.22Å; I169-Q171 PolarHBondContact O-N 3.24Å
172A34.9Very low48.5Very low65 Ų6599.1 Ų99.154%0.53758%0.581SS.*  trans-105120.6152.200000105.4E170 V174E170-A172 PolarHBondContact O-N 3.24Å; A172-V174 PolarHBondContact O-N 3.35Å
173G35.9Very low50.1Low78 Ų78101.7 Ų101.780%0.80461%0.605SS**  trans-60.878.1-179.100000112.6N175G173-N175 VanDerWaalsContact C-N 3.26Å; G173-N175 PolarHBondContact O-N 3.17Å; G173-N175 VanDerWaalsContact O-N 3.09Å
174V40.8Very low52Low114 Ų114101.8 Ų101.869%0.69159%0.594SS**  trans-70.897.3152.1-177.60000103.8A172 Q176A172-V174 PolarHBondContact O-N 3.35Å; V174-Q176 HydrophobicContact CG1-CG 4.05Å; V174-Q176 PolarHBondContact O-N 2.69Å
175N40.3Very low54.2Low152 Ų15295.7 Ų95.781%0.81356%0.556SS**  trans-5886.2163.2-76.8-55.6000107G173 R177G173-N175 VanDerWaalsContact C-N 3.26Å; G173-N175 PolarHBondContact O-N 3.17Å; G173-N175 VanDerWaalsContact O-N 3.09Å; N175-R177 PolarHBondContact O-N 3.33Å
176Q48.1Very low56.3Low92 Ų9297.7 Ų97.743%0.4356%0.559SS.*  trans-64.888.9167.9-78.61791.500105.9V174 L178 H241 I291V174-Q176 HydrophobicContact CG1-CG 4.05Å; V174-Q176 PolarHBondContact O-N 2.69Å; Q176-L178 PolarHBondContact O-N 2.78Å; Q176-H241 PolarHBondContact OE1-CE1 3.03Å; Q176-H241 VanDerWaalsContact OE1-CE1 3.28Å; Q176-H241 PolarHBondContact OE1-NE2 3.46Å; Q176-I291 HydrophobicContact CB-CG2 4.21Å
177R52.8Low58.9Low213 Ų21398.1 Ų98.180%0.80456%0.561SS**PPolyproline II helixtrans-66.7124.6-177.8-165.7171.4177-177.9-1.9107.1N175 H292N175-R177 PolarHBondContact O-N 3.33Å; R177-H292 WeakPolarHBondContact O-CB 3.34Å; R177-H292 PolarHBondContact O-N 3.44Å
178L60.6Low61.4Low19 Ų1994.6 Ų94.610%0.09952%0.524CS..BIsolated β-bridgetrans-67.4154.4170.9-68165.3000108.8Q176Q176-L178 PolarHBondContact O-N 2.78Å
179E68.7Low64.3Low82 Ų8288.2 Ų88.238%0.38350%0.496SS..PPolyproline II helixtrans-49.6148173.2-72.4176.6158.100111.1V181 R289 H292E179-V181 PolarHBondContact O-N 3.23Å; E179-R289 PolarHBondContact O-NE 3Å; E179-R289 PolarHBondContact O-NH2 3.35Å; E179-H292 HydrophobicContact CG-CB 4.31Å
180P70.5Confident67Low111 Ų11185.5 Ų85.572%0.72149%0.486SS*.PPolyproline II helixtrans-51.3142.8175.422.8-33000110.8S182P180-S182 PolarHBondContact O-N 3.32Å
181V79.3Confident70Confident54 Ų5482.6 Ų82.633%0.32747%0.473SS..PPolyproline II helixtrans-63.2122.7-175.5-176.70000109E179 I186 Y238 L239E179-V181 PolarHBondContact O-N 3.23Å; V181-I186 HydrophobicContact CB-CG1 4.35Å; V181-I186 HydrophobicContact CG1-CG1 3.63Å; V181-Y238 HydrophobicContact CG1-CE1 3.93Å; V181-Y238 HydrophobicContact CG2-CE1 4.5Å; V181-L239 HydrophobicContact CG2-CD2 4.4Å
182S82.8Confident72.7Confident57 Ų5773.6 Ų73.640%0.39943%0.431SS..PPolyproline II helixtrans-74.2157176.562.20000111.1P180 G185 I186P180-S182 PolarHBondContact O-N 3.32Å; S182-G185 CarbonylContact O-C 3.53Å; S182-G185 WeakPolarHBondContact O-CA 3.3Å; S182-G185 PolarHBondContact O-N 2.87Å; S182-G185 PolarHBondContact OG-N 3.25Å; S182-I186 PolarHBondContact O-N 3.35Å
183A84.9Confident75.6Confident78 Ų7874.7 Ų74.765%0.64543%0.427SS*.Hα-helixtrans-49-45.7175.200000114.5G185 I186 L187A183-G185 PolarHBondContact O-N 3.33Å; A183-I186 PolarHBondContact O-N 2.86Å; A183-L187 PolarHBondContact O-N 2.63Å; A183-L187 VanDerWaalsContact O-N 3.09Å
184P87Confident78.5Confident70 Ų7074.9 Ų74.946%0.45541%0.408SS..Hα-helixtrans-65.8-27.7173.524.7-34.4000113.1S188P184-S188 WeakPolarHBondContact O-CB 3.29Å; P184-S188 PolarHBondContact O-N 3.01Å
185G87.4Confident81.1Confident0 Ų069.5 Ų69.50%038%0.375CS..Hα-helixtrans-64.2-45.217100000113.6S182 A183 S188 L189 Y238S182-G185 CarbonylContact O-C 3.53Å; S182-G185 WeakPolarHBondContact O-CA 3.3Å; S182-G185 PolarHBondContact O-N 2.87Å; S182-G185 PolarHBondContact OG-N 3.25Å; A183-G185 PolarHBondContact O-N 3.33Å; G185-S188 PolarHBondContact O-N 3.28Å; G185-L189 WeakPolarHBondContact O-CB 3.39Å; G185-L189 PolarHBondContact O-N 2.73Å; G185-Y238 WeakPolarHBondContact CA-OH 3.49Å
186I89.3Confident83.7Confident92 Ų9262.6 Ų62.647%0.47234%0.34SS..Hα-helixtrans-62-46.8175.6-58.9177.3000109.7V181 S182 A183 S188 L189 V190V181-I186 HydrophobicContact CB-CG1 4.35Å; V181-I186 HydrophobicContact CG1-CG1 3.63Å; S182-I186 PolarHBondContact O-N 3.35Å; A183-I186 PolarHBondContact O-N 2.86Å; I186-S188 VanDerWaalsContact C-N 3.35Å; I186-S188 PolarHBondContact O-N 3.16Å; I186-L189 WeakPolarHBondContact O-CB 3.5Å; I186-L189 PolarHBondContact O-N 2.87Å; I186-V190 HydrophobicContact CG2-CG2 4.48Å; I186-V190 WeakPolarHBondContact O-CG2 3.33Å; I186-V190 PolarHBondContact O-N 3.21Å
187L93Very high86Confident102 Ų10261 Ų6153%0.53434%0.339SS..Hα-helixtrans-58.5-46.6177.2179.561.2000111.6A183 L189 V190 L191A183-L187 PolarHBondContact O-N 2.63Å; A183-L187 VanDerWaalsContact O-N 3.09Å; L187-L189 VanDerWaalsContact C-N 3.33Å; L187-L189 PolarHBondContact O-N 2.93Å; L187-V190 PolarHBondContact O-N 3.02Å; L187-L191 HydrophobicContact CD1-CD1 4.16Å; L187-L191 HydrophobicContact CD1-CG 4.3Å; L187-L191 HydrophobicContact CG-CD1 4.06Å; L187-L191 VanDerWaalsContact O-CG 3.3Å; L187-L191 WeakPolarHBondContact O-CG 3.07Å; L187-L191 PolarHBondContact O-N 3.11Å
188S93.3Very high87.9Confident1 Ų154 Ų541%0.00732%0.317CS..Hα-helixtrans-61.6-40.1177.1179.20000112.5P184 G185 I186 L191 N192 S282P184-S188 WeakPolarHBondContact O-CB 3.29Å; P184-S188 PolarHBondContact O-N 3.01Å; G185-S188 PolarHBondContact O-N 3.28Å; I186-S188 VanDerWaalsContact C-N 3.35Å; I186-S188 PolarHBondContact O-N 3.16Å; S188-L191 PolarHBondContact O-N 3.23Å; S188-N192 WeakPolarHBondContact O-CB 3.29Å; S188-N192 PolarHBondContact O-N 2.91Å; S188-S282 WeakPolarHBondContact OG-CA 3.34Å; S188-S282 WeakPolarHBondContact OG-CB 3.27Å
189L93Very high89.5Confident38 Ų3853.1 Ų53.120%0.19931%0.312CS..Hα-helixtrans-63.4-46.5177.7-17270.4000111.4G185 I186 L187 L191 N192 I193 C235 L239G185-L189 WeakPolarHBondContact O-CB 3.39Å; G185-L189 PolarHBondContact O-N 2.73Å; I186-L189 WeakPolarHBondContact O-CB 3.5Å; I186-L189 PolarHBondContact O-N 2.87Å; L187-L189 VanDerWaalsContact C-N 3.33Å; L187-L189 PolarHBondContact O-N 2.93Å; L189-L191 PolarHBondContact O-N 2.7Å; L189-N192 PolarHBondContact O-N 3.47Å; L189-I193 HydrophobicContact CG-CD1 4.02Å; L189-I193 VanDerWaalsContact O-CG1 3.26Å; L189-I193 WeakPolarHBondContact O-CG1 3.44Å; L189-I193 PolarHBondContact O-N 2.89Å; L189-C235 HydrophobicContact CD1-CB 3.76Å; L189-L239 HydrophobicContact CD1-CD1 4.27Å; L189-L239 HydrophobicContact CD1-CG 4.39Å; L189-L239 HydrophobicContact CD2-CD2 4.35Å
190V95.9Very high90.8Very high84 Ų8451.2 Ų51.251%0.50931%0.306SS..Hα-helixtrans-60.4-46.1177.5172.10000111I186 L187 N192 I193 M194I186-V190 HydrophobicContact CG2-CG2 4.48Å; I186-V190 WeakPolarHBondContact O-CG2 3.33Å; I186-V190 PolarHBondContact O-N 3.21Å; L187-V190 PolarHBondContact O-N 3.02Å; V190-N192 VanDerWaalsContact C-N 3.34Å; V190-N192 PolarHBondContact O-N 3.27Å; V190-I193 PolarHBondContact O-N 3.35Å; V190-M194 PolarHBondContact O-N 2.84Å
191L94.7Very high91.9Very high42 Ų4251.2 Ų51.222%0.2230%0.299CS..Hα-helixtrans-64-37.6178.9-69.4172.1000112.4L187 S188 L189 M194 C195 F274 V278L187-L191 HydrophobicContact CD1-CD1 4.16Å; L187-L191 HydrophobicContact CD1-CG 4.3Å; L187-L191 HydrophobicContact CG-CD1 4.06Å; L187-L191 VanDerWaalsContact O-CG 3.3Å; L187-L191 WeakPolarHBondContact O-CG 3.07Å; L187-L191 PolarHBondContact O-N 3.11Å; S188-L191 PolarHBondContact O-N 3.23Å; L189-L191 PolarHBondContact O-N 2.7Å; L191-M194 HydrophobicContact CD2-CE 4.38Å; L191-M194 PolarHBondContact O-N 3.38Å; L191-C195 PolarHBondContact O-N 3.34Å; L191-C195 PolarHBondContact O-SG 3.35Å; L191-F274 HydrophobicContact CD2-CE2 4.41Å; L191-F274 HydrophobicContact CD2-CZ 4.22Å; L191-V278 HydrophobicContact CB-CG1 3.84Å; L191-V278 HydrophobicContact CB-CG2 3.98Å; L191-V278 HydrophobicContact CD1-CG2 4.48Å
192N94.2Very high92.4Very high1 Ų152.2 Ų52.21%0.00530%0.297CS..Hα-helixtrans-72.4-37177.8-122-30.8000112.3S188 L189 V190 M194 C195 A196 Q234 V278 S282S188-N192 WeakPolarHBondContact O-CB 3.29Å; S188-N192 PolarHBondContact O-N 2.91Å; L189-N192 PolarHBondContact O-N 3.47Å; V190-N192 VanDerWaalsContact C-N 3.34Å; V190-N192 PolarHBondContact O-N 3.27Å; N192-M194 VanDerWaalsContact C-N 3.32Å; N192-C195 WeakPolarHBondContact O-CB 3.46Å; N192-C195 PolarHBondContact O-N 2.76Å; N192-A196 WeakPolarHBondContact O-CB 3.47Å; N192-A196 PolarHBondContact O-N 3.49Å; N192-Q234 PolarHBondContact ND2-OE1 3.23Å; N192-V278 HydrophobicContact CB-CG1 4.18Å; N192-S282 WeakPolarHBondContact ND2-CB 3.35Å; N192-S282 PolarHBondContact ND2-OG 2.98Å
193I95.5Very high92.9Very high88 Ų8849.5 Ų49.545%0.45128%0.278SS..Hα-helixtrans-61.4-43.7171.4-69.4166.4000109.9L189 V190 C195 A196 S197L189-I193 HydrophobicContact CG-CD1 4.02Å; L189-I193 VanDerWaalsContact O-CG1 3.26Å; L189-I193 WeakPolarHBondContact O-CG1 3.44Å; L189-I193 PolarHBondContact O-N 2.89Å; V190-I193 PolarHBondContact O-N 3.35Å; I193-C195 VanDerWaalsContact C-N 3.35Å; I193-C195 PolarHBondContact O-N 3.48Å; I193-A196 WeakPolarHBondContact O-CB 3.32Å; I193-A196 PolarHBondContact O-N 3.27Å; I193-S197 PolarHBondContact O-N 3.28Å; I193-S197 PolarHBondContact O-OG 3.12Å; I193-S197 VanDerWaalsContact O-OG 3.12Å
194M96.1Very high93.2Very high83 Ų8349.6 Ų49.641%0.40927%0.27SS..Hα-helixtrans-61.2-43.1175.1-171-176.274.400111.7V190 L191 N192 A196 S197 L198 F274V190-M194 PolarHBondContact O-N 2.84Å; L191-M194 HydrophobicContact CD2-CE 4.38Å; L191-M194 PolarHBondContact O-N 3.38Å; N192-M194 VanDerWaalsContact C-N 3.32Å; M194-A196 VanDerWaalsContact C-N 3.33Å; M194-A196 PolarHBondContact O-N 2.95Å; M194-S197 PolarHBondContact O-N 2.99Å; M194-L198 HydrophobicContact CG-CD1 4.28Å; M194-L198 VanDerWaalsContact O-CG 3.31Å; M194-L198 WeakPolarHBondContact O-CG 3.29Å; M194-L198 PolarHBondContact O-N 3.44Å; M194-F274 HydrophobicContact CE-CE1 3.42Å; M194-F274 VanDerWaalsContact CE-CE1 3.42Å; M194-F274 HydrophobicContact CE-CE2 4.13Å; M194-F274 HydrophobicContact CE-CZ 3.1Å
195C95.4Very high93.3Very high0 Ų052.1 Ų52.10%028%0.276CS..Hα-helixtrans-59.7-43.3174.7-73.20000112.3L191 N192 I193 L198 N199 F274 H275L191-C195 PolarHBondContact O-N 3.34Å; L191-C195 PolarHBondContact O-SG 3.35Å; N192-C195 WeakPolarHBondContact O-CB 3.46Å; N192-C195 PolarHBondContact O-N 2.76Å; I193-C195 VanDerWaalsContact C-N 3.35Å; I193-C195 PolarHBondContact O-N 3.48Å; C195-L198 PolarHBondContact O-N 3.27Å; C195-N199 WeakPolarHBondContact O-CB 3.42Å; C195-N199 PolarHBondContact O-N 3.32Å; C195-N199 PolarHBondContact O-ND2 2.92Å; C195-F274 WeakPolarHBondContact SG-CE1 3.45Å; C195-H275 PolarHBondContact SG-ND1 2.89Å; C195-H275 VanDerWaalsContact SG-ND1 3.45Å
196A95.4Very high93.3Very high8 Ų853.9 Ų53.97%0.06629%0.285CS..Hα-helixtrans-60-4917600000110.8N192 I193 M194 L198 N199 V200 F228 C231N192-A196 WeakPolarHBondContact O-CB 3.47Å; N192-A196 PolarHBondContact O-N 3.49Å; I193-A196 WeakPolarHBondContact O-CB 3.32Å; I193-A196 PolarHBondContact O-N 3.27Å; M194-A196 VanDerWaalsContact C-N 3.33Å; M194-A196 PolarHBondContact O-N 2.95Å; A196-L198 PolarHBondContact O-N 2.92Å; A196-N199 WeakPolarHBondContact O-CB 3.42Å; A196-N199 PolarHBondContact O-N 3.17Å; A196-V200 WeakPolarHBondContact O-CG2 3.4Å; A196-V200 PolarHBondContact O-N 3.42Å; A196-F228 HydrophobicContact CB-CD2 3.75Å; A196-F228 HydrophobicContact CB-CE2 4.1Å; A196-F228 WeakPolarHBondContact O-CD2 3.07Å; A196-C231 HydrophobicContact CB-CB 3.94Å
197S95.6Very high93.2Very high58 Ų5850.7 Ų50.741%0.40627%0.272SS..Hα-helixtrans-60.1-45.1177.5-60.10000112.5I193 M194 N199 V200 I201I193-S197 PolarHBondContact O-N 3.28Å; I193-S197 PolarHBondContact O-OG 3.12Å; I193-S197 VanDerWaalsContact O-OG 3.12Å; M194-S197 PolarHBondContact O-N 2.99Å; S197-N199 VanDerWaalsContact C-N 3.31Å; S197-N199 PolarHBondContact O-N 3.12Å; S197-V200 PolarHBondContact O-N 2.94Å; S197-I201 WeakPolarHBondContact O-CB 3.5Å; S197-I201 WeakPolarHBondContact O-CD1 3.44Å; S197-I201 VanDerWaalsContact O-CG1 3.22Å; S197-I201 WeakPolarHBondContact O-CG1 3.43Å; S197-I201 PolarHBondContact O-N 3.46Å
198L93.8Very high92.8Very high66 Ų6653 Ų5335%0.34628%0.28SS..Hα-helixtrans-62.7-37.8177.9-70.4173.3000112.3M194 C195 A196 R202M194-L198 HydrophobicContact CG-CD1 4.28Å; M194-L198 VanDerWaalsContact O-CG 3.31Å; M194-L198 WeakPolarHBondContact O-CG 3.29Å; M194-L198 PolarHBondContact O-N 3.44Å; C195-L198 PolarHBondContact O-N 3.27Å; A196-L198 PolarHBondContact O-N 2.92Å; L198-R202 WeakPolarHBondContact O-CB 3.47Å; L198-R202 WeakPolarHBondContact O-CG 3.45Å; L198-R202 PolarHBondContact O-N 2.93Å; L198-R202 VanDerWaalsContact O-N 3.09Å
199N93.9Very high91.9Very high0 Ų057.6 Ų57.60%031%0.305CS..Hα-helixtrans-65-42.7175.5-72-19.6000111.7C195 A196 S197 G203 F228 R267 H275C195-N199 WeakPolarHBondContact O-CB 3.42Å; C195-N199 PolarHBondContact O-N 3.32Å; C195-N199 PolarHBondContact O-ND2 2.92Å; A196-N199 WeakPolarHBondContact O-CB 3.42Å; A196-N199 PolarHBondContact O-N 3.17Å; S197-N199 VanDerWaalsContact C-N 3.31Å; S197-N199 PolarHBondContact O-N 3.12Å; N199-G203 PolarHBondContact O-N 3.35Å; N199-F228 HydrophobicContact CB-CB 3.91Å; N199-R267 PolarHBondContact OD1-NH1 3.39Å; N199-R267 PolarHBondContact OD1-NH2 3.43Å; N199-H275 PolarHBondContact OD1-CE1 3.31Å
200V94.9Very high91Very high43 Ų4356.8 Ų56.826%0.26130%0.302SS..Hα-helixtrans-67-47.6177.5175.40000111.3A196 S197 R202 G203 V204 F228A196-V200 WeakPolarHBondContact O-CG2 3.4Å; A196-V200 PolarHBondContact O-N 3.42Å; S197-V200 PolarHBondContact O-N 2.94Å; V200-R202 VanDerWaalsContact C-N 3.28Å; V200-R202 PolarHBondContact O-N 3.24Å; V200-G203 PolarHBondContact O-N 3.3Å; V200-V204 HydrophobicContact CG1-CG2 4.05Å; V200-V204 WeakPolarHBondContact O-CB 3.29Å; V200-V204 VanDerWaalsContact O-CG2 3.32Å; V200-V204 WeakPolarHBondContact O-CG2 3.22Å; V200-V204 PolarHBondContact O-N 3.48Å; V200-F228 HydrophobicContact CG2-CB 3.72Å; V200-F228 HydrophobicContact CG2-CD1 3.66Å; V200-F228 HydrophobicContact CG2-CD2 3.1Å; V200-F228 HydrophobicContact CG2-CE1 4Å; V200-F228 HydrophobicContact CG2-CE2 3.47Å; V200-F228 VanDerWaalsContact CG2-CE2 3.47Å; V200-F228 HydrophobicContact CG2-CG 3.18Å; V200-F228 HydrophobicContact CG2-CZ 3.9Å
201I93.7Very high89.6Confident110 Ų11061.8 Ų61.856%0.56432%0.317SS*.Hα-helixtrans-57.2-46.2-179.9-68.7163.5000110S197 H205S197-I201 WeakPolarHBondContact O-CB 3.5Å; S197-I201 WeakPolarHBondContact O-CD1 3.44Å; S197-I201 VanDerWaalsContact O-CG1 3.22Å; S197-I201 WeakPolarHBondContact O-CG1 3.43Å; S197-I201 PolarHBondContact O-N 3.46Å; I201-H205 VanDerWaalsContact O-CB 3.23Å; I201-H205 WeakPolarHBondContact O-CB 3.26Å; I201-H205 PolarHBondContact O-N 3.43Å
202R91.4Very high87.9Confident75 Ų7568.1 Ų68.128%0.28335%0.345SS..Hα-helixtrans-68.6-40.6177.2-73.8-169.8178.2-169.76.2113.4L198 V200 L206 F224 L266L198-R202 WeakPolarHBondContact O-CB 3.47Å; L198-R202 WeakPolarHBondContact O-CG 3.45Å; L198-R202 PolarHBondContact O-N 2.93Å; L198-R202 VanDerWaalsContact O-N 3.09Å; V200-R202 VanDerWaalsContact C-N 3.28Å; V200-R202 PolarHBondContact O-N 3.24Å; R202-L206 WeakPolarHBondContact O-CB 3.49Å; R202-L206 PolarHBondContact O-N 2.94Å; R202-F224 HydrophobicContact CB-CD1 3.76Å; R202-F224 HydrophobicContact CB-CE1 3.57Å; R202-F224 HydrophobicContact CB-CE2 4.46Å; R202-F224 HydrophobicContact CB-CG 4.31Å; R202-F224 HydrophobicContact CB-CZ 3.98Å; R202-F224 HydrophobicContact CG-CE1 4.26Å; R202-L266 PolarHBondContact NH1-O 2.69Å
203G91.8Very high86.2Confident0 Ų076 Ų760%039%0.387CS..Hα-helixtrans-61.5-45177.300000112N199 V200 A207N199-G203 PolarHBondContact O-N 3.35Å; V200-G203 PolarHBondContact O-N 3.3Å; G203-A207 VanDerWaalsContact O-CB 3.27Å; G203-A207 WeakPolarHBondContact O-CB 3.43Å; G203-A207 PolarHBondContact O-N 2.97Å
204V91.1Very high84.9Confident81 Ų8176.3 Ų76.349%0.49139%0.39SS..Hα-helixtrans-68.9-46.1178.4173.20000111.2V200 L206 A207 E208V200-V204 HydrophobicContact CG1-CG2 4.05Å; V200-V204 WeakPolarHBondContact O-CB 3.29Å; V200-V204 VanDerWaalsContact O-CG2 3.32Å; V200-V204 WeakPolarHBondContact O-CG2 3.22Å; V200-V204 PolarHBondContact O-N 3.48Å; V204-L206 VanDerWaalsContact C-N 3.29Å; V204-L206 PolarHBondContact O-N 3.37Å; V204-A207 WeakPolarHBondContact O-CB 3.12Å; V204-A207 PolarHBondContact O-N 3.36Å; V204-A207 VanDerWaalsContact O-N 3.16Å; V204-E208 PolarHBondContact O-N 3.26Å
205H89.1Confident83.5Confident122 Ų12280.1 Ų80.157%0.56540%0.401SS*.Hα-helixtrans-61.1-40.5177.2-173.9-83.5000111.3I201 N209I201-H205 VanDerWaalsContact O-CB 3.23Å; I201-H205 WeakPolarHBondContact O-CB 3.26Å; I201-H205 PolarHBondContact O-N 3.43Å; H205-N209 PolarHBondContact CE1-ND2 3.02Å; H205-N209 VanDerWaalsContact CE1-ND2 3.25Å; H205-N209 PolarHBondContact ND1-ND2 3.49Å; H205-N209 PolarHBondContact O-N 3.36Å; H205-N209 PolarHBondContact O-ND2 3.2Å
206L87.7Confident82.2Confident38 Ų3886 Ų8620%0.19943%0.428CS..Hα-helixtrans-68.3-41.3175.3-172.263.4000111.3R202 V204 E208 N209 T210 N220 V221 F224 L266R202-L206 WeakPolarHBondContact O-CB 3.49Å; R202-L206 PolarHBondContact O-N 2.94Å; V204-L206 VanDerWaalsContact C-N 3.29Å; V204-L206 PolarHBondContact O-N 3.37Å; L206-E208 VanDerWaalsContact C-N 3.35Å; L206-E208 PolarHBondContact O-N 2.95Å; L206-N209 CarbonylContact O-C 3.55Å; L206-N209 PolarHBondContact O-N 2.83Å; L206-N209 VanDerWaalsContact O-N 3.11Å; L206-T210 WeakPolarHBondContact O-CB 3.2Å; L206-T210 PolarHBondContact O-N 3Å; L206-T210 PolarHBondContact O-OG1 3.21Å; L206-N220 HydrophobicContact CD2-CB 3.65Å; L206-V221 HydrophobicContact CB-CG2 3.99Å; L206-V221 HydrophobicContact CD2-CG2 3.94Å; L206-V221 HydrophobicContact CG-CG2 3.76Å; L206-F224 HydrophobicContact CD2-CD2 4.11Å; L206-F224 HydrophobicContact CD2-CE2 4.05Å; L206-L266 HydrophobicContact CD2-CD1 3.88Å
207A87.3Confident81.5Confident24 Ų2485.9 Ų85.920%0.19843%0.428CS..Hα-helixtrans-57.9-46.4177.700000111.9G203 V204 N209 T210 F211 V221G203-A207 VanDerWaalsContact O-CB 3.27Å; G203-A207 WeakPolarHBondContact O-CB 3.43Å; G203-A207 PolarHBondContact O-N 2.97Å; V204-A207 WeakPolarHBondContact O-CB 3.12Å; V204-A207 PolarHBondContact O-N 3.36Å; V204-A207 VanDerWaalsContact O-N 3.16Å; A207-N209 PolarHBondContact O-N 3.09Å; A207-T210 PolarHBondContact O-N 3.43Å; A207-T210 VanDerWaalsContact O-N 3.09Å; A207-F211 WeakPolarHBondContact O-CD2 3.38Å; A207-F211 PolarHBondContact O-N 3.1Å; A207-V221 HydrophobicContact CB-CG1 3.84Å; A207-V221 HydrophobicContact CB-CG2 4.08Å
208E84.8Confident81Confident150 Ų15087.6 Ų87.670%0.70143%0.432SS*.Hα-helixtrans-58.8-37.2177.1-170.5172.3-171.900112V204 L206V204-E208 PolarHBondContact O-N 3.26Å; L206-E208 VanDerWaalsContact C-N 3.35Å; L206-E208 PolarHBondContact O-N 2.95Å
209N75Confident80.8Confident99 Ų9990.9 Ų90.953%0.52944%0.44SS..Hα-helixtrans-79.7-21.8176.6-68.4-54.7000113.9H205 L206 A207H205-N209 PolarHBondContact CE1-ND2 3.02Å; H205-N209 VanDerWaalsContact CE1-ND2 3.25Å; H205-N209 PolarHBondContact ND1-ND2 3.49Å; H205-N209 PolarHBondContact O-N 3.36Å; H205-N209 PolarHBondContact O-ND2 3.2Å; L206-N209 CarbonylContact O-C 3.55Å; L206-N209 PolarHBondContact O-N 2.83Å; L206-N209 VanDerWaalsContact O-N 3.11Å; A207-N209 PolarHBondContact O-N 3.09Å
210T74.2Confident80.6Confident21 Ų2192.5 Ų92.513%0.12945%0.448CS..Hα-helixtrans-91.1-11.6-176.3-62.10000113.5L206 A207 Q212 I218L206-T210 WeakPolarHBondContact O-CB 3.2Å; L206-T210 PolarHBondContact O-N 3Å; L206-T210 PolarHBondContact O-OG1 3.21Å; A207-T210 PolarHBondContact O-N 3.43Å; A207-T210 VanDerWaalsContact O-N 3.09Å; T210-Q212 PolarHBondContact O-N 3.22Å; T210-I218 HydrophobicContact CG2-CG1 4.18Å
211F65.1Low80.4Confident188 Ų18891.3 Ų91.383%0.82544%0.441SS*.THydrogen-bonded Turntrans-62.79.9178.1-98.3-76.6000115.3A207A207-F211 WeakPolarHBondContact O-CD2 3.38Å; A207-F211 PolarHBondContact O-N 3.1Å
212Q59.6Low80.3Confident175 Ų17588 Ų8882%0.81843%0.431SS*.THydrogen-bonded Turntrans-119.541.7-172.6-147.1162.6-15.200113.3T210T210-Q212 PolarHBondContact O-N 3.22Å
213D59.6Low80.4Confident167 Ų16785 Ų8589%0.89342%0.422SS*.THydrogen-bonded Turntrans80.246.7171.3-60.2-40.7000118.4
214D67.8Low80.5Confident95 Ų9585.3 Ų85.351%0.50842%0.423SS..  trans-128.2108.6173-157.9-6.1000114.1E216 G217D214-E216 VanDerWaalsContact C-N 3.33Å; D214-E216 PolarHBondContact O-N 3.09Å; D214-E216 PolarHBondContact OD1-N 3.39Å; D214-G217 PolarHBondContact O-N 3.32Å
215Y67.1Low80.6Confident163 Ų16384.9 Ų84.964%0.63942%0.418SS*.Hα-helixtrans-67.9-29.8-178.4-170.7-98.2000112.7I218 W219Y215-I218 PolarHBondContact O-N 3.18Å; Y215-W219 AromaticContact CD1-NE1 3.93Å; Y215-W219 AromaticContact CE1-NE1 3.4Å; Y215-W219 AromaticContact CZ-NE1 3.85Å
216E67.9Low80.8Confident122 Ų12284.6 Ų84.657%0.5742%0.415SS*.Hα-helixtrans-72.2-32.5176.8-73.5-73154.300111.6D214 I218 W219 N220D214-E216 VanDerWaalsContact C-N 3.33Å; D214-E216 PolarHBondContact O-N 3.09Å; D214-E216 PolarHBondContact OD1-N 3.39Å; E216-I218 VanDerWaalsContact C-N 3.29Å; E216-I218 PolarHBondContact O-N 3.01Å; E216-W219 PolarHBondContact O-N 3.26Å; E216-N220 PolarHBondContact O-ND2 3.01Å
217G80.2Confident81.1Confident7 Ų782.8 Ų82.87%0.07241%0.406CS..Hα-helixtrans-63.6-34.5175.700000112.8D214 W219 N220 V221D214-G217 PolarHBondContact O-N 3.32Å; G217-W219 VanDerWaalsContact C-N 3.34Å; G217-W219 PolarHBondContact O-N 2.99Å; G217-N220 WeakPolarHBondContact O-CB 3.47Å; G217-N220 PolarHBondContact O-N 2.81Å; G217-V221 WeakPolarHBondContact O-CG2 3.46Å; G217-V221 PolarHBondContact O-N 3.26Å
218I85.9Confident81.4Confident94 Ų9485.1 Ų85.148%0.48241%0.411SS..Hα-helixtrans-61.6-42.2-179.2-62.6172.8000111.1T210 Y215 E216 N220 V221 A222T210-I218 HydrophobicContact CG2-CG1 4.18Å; Y215-I218 PolarHBondContact O-N 3.18Å; E216-I218 VanDerWaalsContact C-N 3.29Å; E216-I218 PolarHBondContact O-N 3.01Å; I218-N220 VanDerWaalsContact C-N 3.33Å; I218-N220 PolarHBondContact O-N 3.32Å; I218-V221 PolarHBondContact O-N 2.99Å; I218-A222 WeakPolarHBondContact O-CB 3.27Å; I218-A222 PolarHBondContact O-N 3.35Å
219W88.4Confident81.9Confident134 Ų13481.1 Ų81.151%0.50840%0.397SS..Hα-helixtrans-67.9-33.7178.7-68.1108000112.5Y215 E216 G217 A222 A223 Y262Y215-W219 AromaticContact CD1-NE1 3.93Å; Y215-W219 AromaticContact CE1-NE1 3.4Å; Y215-W219 AromaticContact CZ-NE1 3.85Å; E216-W219 PolarHBondContact O-N 3.26Å; G217-W219 VanDerWaalsContact C-N 3.34Å; G217-W219 PolarHBondContact O-N 2.99Å; W219-A222 PolarHBondContact O-N 2.94Å; W219-A223 WeakPolarHBondContact O-CB 3.35Å; W219-A223 PolarHBondContact O-N 3.43Å; W219-Y262 HydrophobicContact CB-CE1 4.48Å; W219-Y262 WeakPolarHBondContact CB-OH 3.37Å
220N89.7Confident82.8Confident34 Ų3476.6 Ų76.618%0.18237%0.373CS..Hα-helixtrans-67-44.3173-70.4-56.4000111.9L206 E216 G217 I218 A222 A223 F224 Y262 L263 L266L206-N220 HydrophobicContact CD2-CB 3.65Å; E216-N220 PolarHBondContact O-ND2 3.01Å; G217-N220 WeakPolarHBondContact O-CB 3.47Å; G217-N220 PolarHBondContact O-N 2.81Å; I218-N220 VanDerWaalsContact C-N 3.33Å; I218-N220 PolarHBondContact O-N 3.32Å; N220-A222 VanDerWaalsContact C-N 3.35Å; N220-A223 PolarHBondContact O-N 3.4Å; N220-F224 VanDerWaalsContact O-CD2 3.22Å; N220-F224 WeakPolarHBondContact O-CD2 3.19Å; N220-F224 PolarHBondContact O-N 3.31Å; N220-Y262 WeakPolarHBondContact OD1-CE1 3.44Å; N220-L263 HydrophobicContact CB-CD2 4.39Å; N220-L266 HydrophobicContact CB-CD1 3.83Å
221V91.2Very high83.7Confident18 Ų1875.7 Ų75.711%0.10937%0.368CS..Hα-helixtrans-59-47.6173.21730000110.5L206 A207 G217 I218 A223 F224 L225L206-V221 HydrophobicContact CB-CG2 3.99Å; L206-V221 HydrophobicContact CD2-CG2 3.94Å; L206-V221 HydrophobicContact CG-CG2 3.76Å; A207-V221 HydrophobicContact CB-CG1 3.84Å; A207-V221 HydrophobicContact CB-CG2 4.08Å; G217-V221 WeakPolarHBondContact O-CG2 3.46Å; G217-V221 PolarHBondContact O-N 3.26Å; I218-V221 PolarHBondContact O-N 2.99Å; V221-A223 VanDerWaalsContact C-N 3.32Å; V221-A223 PolarHBondContact O-N 2.97Å; V221-F224 PolarHBondContact O-N 3.11Å; V221-L225 HydrophobicContact CG1-CD1 4.12Å; V221-L225 HydrophobicContact CG1-CG 4.48Å; V221-L225 WeakPolarHBondContact O-CG 3.35Å; V221-L225 PolarHBondContact O-N 3.35Å
222A91.5Very high85Confident42 Ų4268.8 Ų68.835%0.34735%0.346SS..Hα-helixtrans-59-42.4177.500000111.6I218 W219 N220 F224 L225 F226I218-A222 WeakPolarHBondContact O-CB 3.27Å; I218-A222 PolarHBondContact O-N 3.35Å; W219-A222 PolarHBondContact O-N 2.94Å; N220-A222 VanDerWaalsContact C-N 3.35Å; A222-F224 PolarHBondContact O-N 3.42Å; A222-L225 PolarHBondContact O-N 2.86Å; A222-F226 VanDerWaalsContact O-CB 3.24Å; A222-F226 WeakPolarHBondContact O-CB 3.23Å; A222-F226 PolarHBondContact O-N 2.73Å
223A93.1Very high86.5Confident12 Ų1264.3 Ų64.310%0.09933%0.327CS..Hα-helixtrans-63.2-38.5176.800000112.8W219 N220 V221 A227 Y262 L263W219-A223 WeakPolarHBondContact O-CB 3.35Å; W219-A223 PolarHBondContact O-N 3.43Å; N220-A223 PolarHBondContact O-N 3.4Å; V221-A223 VanDerWaalsContact C-N 3.32Å; V221-A223 PolarHBondContact O-N 2.97Å; A223-A227 VanDerWaalsContact O-CB 3.31Å; A223-A227 WeakPolarHBondContact O-CB 3.45Å; A223-A227 PolarHBondContact O-N 3.19Å; A223-Y262 HydrophobicContact CB-CD1 3.63Å; A223-Y262 HydrophobicContact CB-CE1 4.06Å; A223-L263 HydrophobicContact CB-CD1 4.2Å; A223-L263 HydrophobicContact CB-CD2 3.97Å; A223-L263 HydrophobicContact CB-CG 4.03Å
224F93.8Very high88.1Confident5 Ų556.6 Ų56.62%0.02229%0.285CS..Hα-helixtrans-65-45.5173.6-83.5-71.2000112.3R202 L206 N220 V221 A222 A227 F228 L263 L266R202-F224 HydrophobicContact CB-CD1 3.76Å; R202-F224 HydrophobicContact CB-CE1 3.57Å; R202-F224 HydrophobicContact CB-CE2 4.46Å; R202-F224 HydrophobicContact CB-CG 4.31Å; R202-F224 HydrophobicContact CB-CZ 3.98Å; R202-F224 HydrophobicContact CG-CE1 4.26Å; L206-F224 HydrophobicContact CD2-CD2 4.11Å; L206-F224 HydrophobicContact CD2-CE2 4.05Å; N220-F224 VanDerWaalsContact O-CD2 3.22Å; N220-F224 WeakPolarHBondContact O-CD2 3.19Å; N220-F224 PolarHBondContact O-N 3.31Å; V221-F224 PolarHBondContact O-N 3.11Å; A222-F224 PolarHBondContact O-N 3.42Å; F224-A227 PolarHBondContact O-N 2.88Å; F224-F228 PolarHBondContact O-N 3.16Å; F224-L263 HydrophobicContact CD1-CD1 3.7Å; F224-L263 HydrophobicContact CD2-CD1 4.04Å; F224-L263 HydrophobicContact CD2-CD2 3.76Å; F224-L263 HydrophobicContact CE1-CD1 3.73Å; F224-L263 HydrophobicContact CE2-CD1 4.05Å; F224-L263 HydrophobicContact CE2-CD2 3.5Å; F224-L263 VanDerWaalsContact CE2-CD2 3.5Å; F224-L263 HydrophobicContact CE2-CG 4.34Å; F224-L263 HydrophobicContact CG-CD1 3.84Å; F224-L263 HydrophobicContact CG-CD2 4.41Å; F224-L263 HydrophobicContact CZ-CD1 3.89Å; F224-L263 HydrophobicContact CZ-CD2 3.96Å; F224-L263 HydrophobicContact CZ-CG 4.38Å; F224-L266 HydrophobicContact CE2-CB 4.37Å; F224-L266 HydrophobicContact CE2-CD1 3.91Å; F224-L266 HydrophobicContact CZ-CB 4.22Å
225L93.4Very high89.2Confident73 Ų7352.8 Ų52.838%0.38227%0.266SS..Hα-helixtrans-67.6-38.2178.9-65.3179.7000112V221 A222 F228 V229V221-L225 HydrophobicContact CG1-CD1 4.12Å; V221-L225 HydrophobicContact CG1-CG 4.48Å; V221-L225 WeakPolarHBondContact O-CG 3.35Å; V221-L225 PolarHBondContact O-N 3.35Å; A222-L225 PolarHBondContact O-N 2.86Å; L225-F228 WeakPolarHBondContact O-CB 3.24Å; L225-F228 PolarHBondContact O-N 3.38Å; L225-V229 WeakPolarHBondContact O-CG2 3.5Å; L225-V229 PolarHBondContact O-N 2.89Å
226F94.1Very high90.2Very high115 Ų11549.7 Ų49.750%0.50426%0.257SS..Hα-helixtrans-66.6-42.2176.5-163.1-123.5000111.2A222 F228 V229 C230 V255 C259A222-F226 VanDerWaalsContact O-CB 3.24Å; A222-F226 WeakPolarHBondContact O-CB 3.23Å; A222-F226 PolarHBondContact O-N 2.73Å; F226-F228 VanDerWaalsContact C-N 3.31Å; F226-F228 PolarHBondContact O-N 2.96Å; F226-V229 PolarHBondContact O-N 3.04Å; F226-C230 PolarHBondContact O-N 3.06Å; F226-C230 PolarHBondContact O-SG 2.84Å; F226-V255 HydrophobicContact CD1-CG1 3.78Å; F226-V255 HydrophobicContact CE1-CG1 3.22Å; F226-V255 HydrophobicContact CZ-CG1 3.98Å; F226-C259 VanDerWaalsContact CD1-SG 3.53Å
227A92.9Very high91.2Very high0 Ų044.9 Ų44.90%024%0.235CC..Hα-helixtrans-60.9-37.9172.200000112.6A223 F224 C231 C259A223-A227 VanDerWaalsContact O-CB 3.31Å; A223-A227 WeakPolarHBondContact O-CB 3.45Å; A223-A227 PolarHBondContact O-N 3.19Å; F224-A227 PolarHBondContact O-N 2.88Å; A227-C231 PolarHBondContact O-N 3.34Å; A227-C231 PolarHBondContact O-SG 3Å; A227-C231 VanDerWaalsContact O-SG 3.37Å; A227-C259 HydrophobicContact CB-CB 3.94Å
228F94.8Very high91.5Very high73 Ų7344.9 Ų44.932%0.3223%0.233SC..Hα-helixtrans-59.3-52.4172.5156.7-109.7000112.1A196 N199 V200 F224 L225 F226 C230 C231 A232A196-F228 HydrophobicContact CB-CD2 3.75Å; A196-F228 HydrophobicContact CB-CE2 4.1Å; A196-F228 WeakPolarHBondContact O-CD2 3.07Å; N199-F228 HydrophobicContact CB-CB 3.91Å; V200-F228 HydrophobicContact CG2-CB 3.72Å; V200-F228 HydrophobicContact CG2-CD1 3.66Å; V200-F228 HydrophobicContact CG2-CD2 3.1Å; V200-F228 HydrophobicContact CG2-CE1 4Å; V200-F228 HydrophobicContact CG2-CE2 3.47Å; V200-F228 VanDerWaalsContact CG2-CE2 3.47Å; V200-F228 HydrophobicContact CG2-CG 3.18Å; V200-F228 HydrophobicContact CG2-CZ 3.9Å; F224-F228 PolarHBondContact O-N 3.16Å; L225-F228 WeakPolarHBondContact O-CB 3.24Å; L225-F228 PolarHBondContact O-N 3.38Å; F226-F228 VanDerWaalsContact C-N 3.31Å; F226-F228 PolarHBondContact O-N 2.96Å; F228-C230 VanDerWaalsContact C-N 3.28Å; F228-C230 PolarHBondContact O-N 3.32Å; F228-C231 PolarHBondContact O-N 3.25Å; F228-A232 PolarHBondContact O-N 3.33Å
229V94.9Very high91.4Very high66 Ų6643.8 Ų43.840%0.423%0.228SC..Hα-helixtrans-59-43-179.3172.70000110.2L225 F226 C231 A232 L233L225-V229 WeakPolarHBondContact O-CG2 3.5Å; L225-V229 PolarHBondContact O-N 2.89Å; F226-V229 PolarHBondContact O-N 3.04Å; V229-C231 PolarHBondContact O-N 3.17Å; V229-A232 PolarHBondContact O-N 3.37Å; V229-L233 HydrophobicContact CG1-CD1 3.87Å; V229-L233 HydrophobicContact CG1-CG 4.28Å; V229-L233 WeakPolarHBondContact O-CB 3.03Å; V229-L233 VanDerWaalsContact O-CG 3.29Å; V229-L233 WeakPolarHBondContact O-CG 3.42Å; V229-L233 PolarHBondContact O-N 3.25Å
230C94.1Very high91.1Very high5 Ų543 Ų433%0.03423%0.228CC..Hα-helixtrans-64.3-39.7177.9-66.10000113.3F226 F228 L233 Q234 L252 V255 I256F226-C230 PolarHBondContact O-N 3.06Å; F226-C230 PolarHBondContact O-SG 2.84Å; F228-C230 VanDerWaalsContact C-N 3.28Å; F228-C230 PolarHBondContact O-N 3.32Å; C230-L233 PolarHBondContact O-N 3.48Å; C230-Q234 PolarHBondContact O-N 3.48Å; C230-L252 HydrophobicContact CB-CD2 4.06Å; C230-V255 WeakPolarHBondContact SG-CG1 3.16Å; C230-I256 HydrophobicContact CB-CD1 3.95Å; C230-I256 HydrophobicContact CB-CG1 3.48Å; C230-I256 VanDerWaalsContact CB-CG1 3.48Å
231C92.5Very high90.4Very high2 Ų245 Ų451%0.01424%0.236CC..Hα-helixtrans-62.9-41.9173.5-73.90000111.9A196 A227 F228 V229 Q234 C235A196-C231 HydrophobicContact CB-CB 3.94Å; A227-C231 PolarHBondContact O-N 3.34Å; A227-C231 PolarHBondContact O-SG 3Å; A227-C231 VanDerWaalsContact O-SG 3.37Å; F228-C231 PolarHBondContact O-N 3.25Å; V229-C231 PolarHBondContact O-N 3.17Å; C231-Q234 WeakPolarHBondContact O-CB 3.49Å; C231-Q234 PolarHBondContact O-N 2.94Å; C231-C235 PolarHBondContact O-N 2.99Å; C231-C235 VanDerWaalsContact O-N 3.12Å; C231-C235 PolarHBondContact O-SG 3.5Å
232A91.9Very high89.7Confident43 Ų4344.9 Ų44.936%0.35524%0.236SC..Hα-helixtrans-64.6-39.9175.800000112F228 V229 Q234 C235 H236F228-A232 PolarHBondContact O-N 3.33Å; V229-A232 PolarHBondContact O-N 3.37Å; A232-Q234 VanDerWaalsContact C-N 3.34Å; A232-C235 WeakPolarHBondContact O-CB 3.36Å; A232-C235 PolarHBondContact O-N 2.71Å; A232-H236 PolarHBondContact O-N 2.9Å
233L91.6Very high88.6Confident81 Ų8147.8 Ų47.842%0.42425%0.254SS..Hα-helixtrans-67.4-32175-70.5174.2000112.6V229 C230 H236 L237 L252V229-L233 HydrophobicContact CG1-CD1 3.87Å; V229-L233 HydrophobicContact CG1-CG 4.28Å; V229-L233 WeakPolarHBondContact O-CB 3.03Å; V229-L233 VanDerWaalsContact O-CG 3.29Å; V229-L233 WeakPolarHBondContact O-CG 3.42Å; V229-L233 PolarHBondContact O-N 3.25Å; C230-L233 PolarHBondContact O-N 3.48Å; L233-H236 PolarHBondContact O-N 3.46Å; L233-L237 WeakPolarHBondContact O-CB 3.34Å; L233-L237 WeakPolarHBondContact O-CG 3.23Å; L233-L237 PolarHBondContact O-N 2.9Å; L233-L252 HydrophobicContact CB-CD1 3.83Å; L233-L252 HydrophobicContact CB-CD2 4.05Å; L233-L252 HydrophobicContact CD1-CD2 4.21Å
234Q92.4Very high87.9Confident5 Ų551.5 Ų51.52%0.02327%0.272CS..Hα-helixtrans-64.5-43.6170.9-79.5-168.8-30.400111.6N192 C230 C231 A232 H236 L237 Y238 L252 I256 T283N192-Q234 PolarHBondContact ND2-OE1 3.23Å; C230-Q234 PolarHBondContact O-N 3.48Å; C231-Q234 WeakPolarHBondContact O-CB 3.49Å; C231-Q234 PolarHBondContact O-N 2.94Å; A232-Q234 VanDerWaalsContact C-N 3.34Å; Q234-H236 VanDerWaalsContact C-N 3.31Å; Q234-H236 PolarHBondContact O-N 2.97Å; Q234-L237 PolarHBondContact O-N 3.41Å; Q234-Y238 WeakPolarHBondContact O-CB 3.48Å; Q234-Y238 PolarHBondContact O-N 2.96Å; Q234-L252 HydrophobicContact CG-CB 3.9Å; Q234-L252 HydrophobicContact CG-CD1 3.88Å; Q234-I256 HydrophobicContact CG-CD1 3.92Å; Q234-I256 VanDerWaalsContact OE1-CD1 3.25Å; Q234-T283 PolarHBondContact NE2-OG1 2.94Å
235C91.2Very high87.3Confident14 Ų1453.3 Ų53.310%0.09528%0.28CS..Hα-helixtrans-58.6-44.5172.1-66.70000111.5L189 C231 A232 Y238 L239L189-C235 HydrophobicContact CD1-CB 3.76Å; C231-C235 PolarHBondContact O-N 2.99Å; C231-C235 VanDerWaalsContact O-N 3.12Å; C231-C235 PolarHBondContact O-SG 3.5Å; A232-C235 WeakPolarHBondContact O-CB 3.36Å; A232-C235 PolarHBondContact O-N 2.71Å; C235-Y238 PolarHBondContact O-N 2.84Å; C235-L239 WeakPolarHBondContact O-CG 3.43Å; C235-L239 PolarHBondContact O-N 3.24Å
236H88.9Confident86.8Confident99 Ų9956.5 Ų56.546%0.45829%0.291SS..Hα-helixtrans-62.6-47.5178.3-175.187.8000111.9A232 L233 Q234 Y238 L239 F240A232-H236 PolarHBondContact O-N 2.9Å; L233-H236 PolarHBondContact O-N 3.46Å; Q234-H236 VanDerWaalsContact C-N 3.31Å; Q234-H236 PolarHBondContact O-N 2.97Å; H236-Y238 VanDerWaalsContact C-N 3.25Å; H236-Y238 PolarHBondContact O-N 3.28Å; H236-L239 PolarHBondContact O-N 2.96Å; H236-L239 VanDerWaalsContact O-N 3.16Å; H236-F240 AromaticContact CE1-CD2 3.3Å; H236-F240 WeakPolarHBondContact CE1-CD2 3.45Å; H236-F240 AromaticContact CE1-CE2 3.73Å; H236-F240 AromaticContact CE1-CG 3.84Å; H236-F240 AromaticContact CG-CD2 3.82Å; H236-F240 AromaticContact ND1-CD2 3.29Å; H236-F240 VanDerWaalsContact ND1-CD2 3.29Å; H236-F240 WeakPolarHBondContact ND1-CD2 3.47Å; H236-F240 AromaticContact ND1-CE2 3.55Å; H236-F240 AromaticContact NE2-CD2 3.84Å; H236-F240 WeakPolarHBondContact O-CB 3.32Å; H236-F240 WeakPolarHBondContact O-CD2 3.46Å; H236-F240 PolarHBondContact O-N 3.09Å
237L87.9Confident86.4Confident21 Ų2156.6 Ų56.611%0.1130%0.296CS..Hα-helixtrans-63.3-31.3175.8-77.6-176.8000113L233 Q234 K248 L252 T286L233-L237 WeakPolarHBondContact O-CB 3.34Å; L233-L237 WeakPolarHBondContact O-CG 3.23Å; L233-L237 PolarHBondContact O-N 2.9Å; Q234-L237 PolarHBondContact O-N 3.41Å; L237-K248 HydrophobicContact CD1-CB 3.62Å; L237-K248 HydrophobicContact CD2-CB 4.27Å; L237-K248 HydrophobicContact CD2-CD 4.03Å; L237-L252 HydrophobicContact CD1-CD1 3.42Å; L237-L252 VanDerWaalsContact CD1-CD1 3.42Å; L237-L252 HydrophobicContact CD1-CG 4.49Å; L237-L252 HydrophobicContact CG-CD1 4.26Å; L237-T286 HydrophobicContact CB-CG2 4.46Å
238Y86.8Confident86.1Confident7 Ų761 Ų613%0.02732%0.315CS..Hα-helixtrans-67.7-43174.2-178-106.8000110.9V181 G185 Q234 C235 H236 L285 R289V181-Y238 HydrophobicContact CG1-CE1 3.93Å; V181-Y238 HydrophobicContact CG2-CE1 4.5Å; G185-Y238 WeakPolarHBondContact CA-OH 3.49Å; Q234-Y238 WeakPolarHBondContact O-CB 3.48Å; Q234-Y238 PolarHBondContact O-N 2.96Å; C235-Y238 PolarHBondContact O-N 2.84Å; H236-Y238 VanDerWaalsContact C-N 3.25Å; H236-Y238 PolarHBondContact O-N 3.28Å; Y238-L285 HydrophobicContact CD2-CB 4.48Å; Y238-L285 HydrophobicContact CE2-CB 3.96Å; Y238-R289 PolarHBondContact O-NH1 3.29Å
239L84.8Confident85.9Confident71 Ų7157.7 Ų57.737%0.37230%0.301SS..Hα-helixtrans-81.9-31.1-174.5-68.4175.4000114.7V181 L189 C235 H236V181-L239 HydrophobicContact CG2-CD2 4.4Å; L189-L239 HydrophobicContact CD1-CD1 4.27Å; L189-L239 HydrophobicContact CD1-CG 4.39Å; L189-L239 HydrophobicContact CD2-CD2 4.35Å; C235-L239 WeakPolarHBondContact O-CG 3.43Å; C235-L239 PolarHBondContact O-N 3.24Å; H236-L239 PolarHBondContact O-N 2.96Å; H236-L239 VanDerWaalsContact O-N 3.16Å
240F81.2Confident85.7Confident117 Ų11760.1 Ų60.151%0.51331%0.306SS..SBendtrans-116144.1-172.9-64.2-82.3000112.3H236H236-F240 AromaticContact CE1-CD2 3.3Å; H236-F240 WeakPolarHBondContact CE1-CD2 3.45Å; H236-F240 AromaticContact CE1-CE2 3.73Å; H236-F240 AromaticContact CE1-CG 3.84Å; H236-F240 AromaticContact CG-CD2 3.82Å; H236-F240 AromaticContact ND1-CD2 3.29Å; H236-F240 VanDerWaalsContact ND1-CD2 3.29Å; H236-F240 WeakPolarHBondContact ND1-CD2 3.47Å; H236-F240 AromaticContact ND1-CE2 3.55Å; H236-F240 AromaticContact NE2-CD2 3.84Å; H236-F240 WeakPolarHBondContact O-CB 3.32Å; H236-F240 WeakPolarHBondContact O-CD2 3.46Å; H236-F240 PolarHBondContact O-N 3.09Å
241H76.1Confident85.7Confident75 Ų7565.4 Ų65.435%0.34733%0.333SS..  trans-69.3133.5178.8179.283.7000111.3Q176Q176-H241 PolarHBondContact OE1-CE1 3.03Å; Q176-H241 VanDerWaalsContact OE1-CE1 3.28Å; Q176-H241 PolarHBondContact OE1-NE2 3.46Å
242S76.8Confident85.6Confident17 Ų1766.2 Ų66.212%0.11934%0.337CS..  trans-139.7132.4171.4170.80000110.2L244 K245 K248S242-L244 VanDerWaalsContact C-N 3.32Å; S242-L244 PolarHBondContact O-N 3.45Å; S242-K245 VanDerWaalsContact O-CB 3.29Å; S242-K245 WeakPolarHBondContact O-CB 3.31Å; S242-K245 PolarHBondContact O-N 3.46Å; S242-K245 VanDerWaalsContact O-N 3.11Å; S242-K248 PolarHBondContact OG-NZ 2.95Å
243S67.8Low85.8Confident102 Ų10265.7 Ų65.771%0.71333%0.328SS*.THydrogen-bonded Turntrans-61-36.2-179.651.40000113.2
244L77.8Confident85.9Confident91 Ų9163.8 Ų63.848%0.47633%0.328SS..THydrogen-bonded Turntrans-96.230.5175.4-76.282.4000113.3S242 K246 L247 K248S242-L244 VanDerWaalsContact C-N 3.32Å; S242-L244 PolarHBondContact O-N 3.45Å; L244-K246 PolarHBondContact O-N 2.93Å; L244-K246 VanDerWaalsContact O-N 3.1Å; L244-L247 HydrophobicContact CD2-CD2 4.05Å; L244-L247 PolarHBondContact O-N 3.44Å; L244-K248 HydrophobicContact CB-CG 4.31Å; L244-K248 WeakPolarHBondContact O-CG 3.39Å; L244-K248 PolarHBondContact O-N 3.44Å
245K80.7Confident86Confident42 Ų4265.1 Ų65.118%0.18334%0.337CS..Hα-helixtrans-53.1-35.9-174.163.6176.8-174.5173.80114.3S242 S249 R289S242-K245 VanDerWaalsContact O-CB 3.29Å; S242-K245 WeakPolarHBondContact O-CB 3.31Å; S242-K245 PolarHBondContact O-N 3.46Å; S242-K245 VanDerWaalsContact O-N 3.11Å; K245-S249 WeakPolarHBondContact O-CB 3.36Å; K245-S249 PolarHBondContact O-N 3.45Å; K245-R289 PolarHBondContact NZ-O 2.88Å
246K82.8Confident86.1Confident141 Ų14164.5 Ų64.561%0.61333%0.333SS*.Hα-helixtrans-64.6-54.9179.2-64.2-171.4177.8179.50111.5L244 S249 F250 L287L244-K246 PolarHBondContact O-N 2.93Å; L244-K246 VanDerWaalsContact O-N 3.1Å; K246-S249 PolarHBondContact O-N 3.26Å; K246-F250 WeakPolarHBondContact O-CD2 3.37Å; K246-F250 PolarHBondContact O-N 2.95Å; K246-F250 VanDerWaalsContact O-N 3.12Å; K246-L287 HydrophobicContact CB-CD2 4.02Å; K246-L287 HydrophobicContact CG-CD2 3.78Å
247L86.7Confident86.3Confident117 Ų11761.7 Ų61.761%0.61332%0.322SS*.Hα-helixtrans-61.9-47.1-179.3-178.264.5000111.4L244 S249 F250 L251L244-L247 HydrophobicContact CD2-CD2 4.05Å; L244-L247 PolarHBondContact O-N 3.44Å; L247-S249 VanDerWaalsContact C-N 3.33Å; L247-S249 PolarHBondContact O-N 2.97Å; L247-F250 PolarHBondContact O-N 3.25Å; L247-L251 WeakPolarHBondContact O-CB 3.24Å; L247-L251 PolarHBondContact O-N 3.4Å
248K87.6Confident86.6Confident93 Ų9366.6 Ų66.640%0.40435%0.348SS..Hα-helixtrans-62.8-38.5179.7-66.3-177.2-179.2174.60112.2L237 S242 L244 L252L237-K248 HydrophobicContact CD1-CB 3.62Å; L237-K248 HydrophobicContact CD2-CB 4.27Å; L237-K248 HydrophobicContact CD2-CD 4.03Å; S242-K248 PolarHBondContact OG-NZ 2.95Å; L244-K248 HydrophobicContact CB-CG 4.31Å; L244-K248 WeakPolarHBondContact O-CG 3.39Å; L244-K248 PolarHBondContact O-N 3.44Å; K248-L252 WeakPolarHBondContact O-CG 3.45Å; K248-L252 PolarHBondContact O-N 3.01Å
249S89.1Confident86.9Confident3 Ų366.8 Ų66.82%0.02135%0.35CS..Hα-helixtrans-65.5-46.2178.3-168.30000111.9K245 K246 L247 L252 L253 T283K245-S249 WeakPolarHBondContact O-CB 3.36Å; K245-S249 PolarHBondContact O-N 3.45Å; K246-S249 PolarHBondContact O-N 3.26Å; L247-S249 VanDerWaalsContact C-N 3.33Å; L247-S249 PolarHBondContact O-N 2.97Å; S249-L252 PolarHBondContact O-N 3.43Å; S249-L253 PolarHBondContact O-N 3.3Å; S249-T283 VanDerWaalsContact OG-CG2 3.23Å; S249-T283 WeakPolarHBondContact OG-CG2 3.3Å
250F91.6Very high87.1Confident117 Ų11763.4 Ų63.451%0.51333%0.332SS..Hα-helixtrans-66.4-39.2176-76.2-64000113.1K246 L247 L253 G254 T283 L287K246-F250 WeakPolarHBondContact O-CD2 3.37Å; K246-F250 PolarHBondContact O-N 2.95Å; K246-F250 VanDerWaalsContact O-N 3.12Å; L247-F250 PolarHBondContact O-N 3.25Å; F250-L253 PolarHBondContact O-N 3.33Å; F250-G254 PolarHBondContact O-N 3.44Å; F250-T283 HydrophobicContact CD1-CG2 4.47Å; F250-L287 HydrophobicContact CE1-CD1 4.17Å; F250-L287 HydrophobicContact CE2-CD1 3.9Å; F250-L287 HydrophobicContact CE2-CD2 4.16Å; F250-L287 HydrophobicContact CZ-CD1 3.55Å
251L92.8Very high87.6Confident115 Ų11562.1 Ų62.160%0.60233%0.331SS*.Hα-helixtrans-60.4-47.7175.8-177.169.3000110.9L247 L253 G254 V255L247-L251 WeakPolarHBondContact O-CB 3.24Å; L247-L251 PolarHBondContact O-N 3.4Å; L251-L253 PolarHBondContact O-N 2.86Å; L251-G254 PolarHBondContact O-N 3.33Å; L251-V255 VanDerWaalsContact O-CG2 3.24Å; L251-V255 WeakPolarHBondContact O-CG2 3.37Å; L251-V255 PolarHBondContact O-N 3.47Å
252L92.4Very high88.4Confident19 Ų1964 Ų6410%0.09934%0.335CS..Hα-helixtrans-63.1-40.6177.5-73.6176.5000112.2C230 L233 Q234 L237 K248 S249 V255 I256C230-L252 HydrophobicContact CB-CD2 4.06Å; L233-L252 HydrophobicContact CB-CD1 3.83Å; L233-L252 HydrophobicContact CB-CD2 4.05Å; L233-L252 HydrophobicContact CD1-CD2 4.21Å; Q234-L252 HydrophobicContact CG-CB 3.9Å; Q234-L252 HydrophobicContact CG-CD1 3.88Å; L237-L252 HydrophobicContact CD1-CD1 3.42Å; L237-L252 VanDerWaalsContact CD1-CD1 3.42Å; L237-L252 HydrophobicContact CD1-CG 4.49Å; L237-L252 HydrophobicContact CG-CD1 4.26Å; K248-L252 WeakPolarHBondContact O-CG 3.45Å; K248-L252 PolarHBondContact O-N 3.01Å; S249-L252 PolarHBondContact O-N 3.43Å; L252-V255 PolarHBondContact O-N 2.97Å; L252-I256 WeakPolarHBondContact O-CB 3.46Å; L252-I256 WeakPolarHBondContact O-CD1 3.4Å; L252-I256 WeakPolarHBondContact O-CG1 3.22Å; L252-I256 PolarHBondContact O-N 3.41Å
253L95Very high88.9Confident32 Ų3263.2 Ų63.217%0.16833%0.33CS..Hα-helixtrans-59.3-48.5174.8179.260.9000111.3S249 F250 L251 V255 I256 V257 A279 T283S249-L253 PolarHBondContact O-N 3.3Å; F250-L253 PolarHBondContact O-N 3.33Å; L251-L253 PolarHBondContact O-N 2.86Å; L253-V255 VanDerWaalsContact C-N 3.34Å; L253-V255 PolarHBondContact O-N 2.95Å; L253-I256 PolarHBondContact O-N 3.12Å; L253-V257 HydrophobicContact CD1-CG2 4.24Å; L253-V257 VanDerWaalsContact O-CG2 3.3Å; L253-V257 WeakPolarHBondContact O-CG2 3.39Å; L253-V257 PolarHBondContact O-N 3.48Å; L253-A279 HydrophobicContact CD1-CB 3.76Å; L253-T283 HydrophobicContact CB-CG2 4.37Å; L253-T283 HydrophobicContact CD2-CG2 4.02Å
254G93.4Very high89.7Confident41 Ų4163 Ų6342%0.42332%0.32SS..Hα-helixtrans-60-43.7179.100000112.3F250 L251 V257 L258F250-G254 PolarHBondContact O-N 3.44Å; L251-G254 PolarHBondContact O-N 3.33Å; G254-V257 PolarHBondContact O-N 3.4Å; G254-L258 WeakPolarHBondContact O-CB 3.21Å; G254-L258 PolarHBondContact O-N 2.96Å
255V93.9Very high89.9Confident34 Ų3462.6 Ų62.621%0.20634%0.338CS..Hα-helixtrans-63.7-45.1176.91730000111.5F226 C230 L251 L252 L253 V257 L258 C259F226-V255 HydrophobicContact CD1-CG1 3.78Å; F226-V255 HydrophobicContact CE1-CG1 3.22Å; F226-V255 HydrophobicContact CZ-CG1 3.98Å; C230-V255 WeakPolarHBondContact SG-CG1 3.16Å; L251-V255 VanDerWaalsContact O-CG2 3.24Å; L251-V255 WeakPolarHBondContact O-CG2 3.37Å; L251-V255 PolarHBondContact O-N 3.47Å; L252-V255 PolarHBondContact O-N 2.97Å; L253-V255 VanDerWaalsContact C-N 3.34Å; L253-V255 PolarHBondContact O-N 2.95Å; V255-V257 VanDerWaalsContact C-N 3.35Å; V255-V257 PolarHBondContact O-N 2.95Å; V255-L258 PolarHBondContact O-N 3.33Å; V255-C259 PolarHBondContact O-N 3.4Å; V255-C259 PolarHBondContact O-SG 3.28Å
256I93.3Very high90.1Very high1 Ų164.4 Ų64.41%0.00535%0.349CS..Hα-helixtrans-61.5-45.5178.2-70.1165000110.3C230 Q234 L252 L253 L258 C259 N260 A279C230-I256 HydrophobicContact CB-CD1 3.95Å; C230-I256 HydrophobicContact CB-CG1 3.48Å; C230-I256 VanDerWaalsContact CB-CG1 3.48Å; Q234-I256 HydrophobicContact CG-CD1 3.92Å; Q234-I256 VanDerWaalsContact OE1-CD1 3.25Å; L252-I256 WeakPolarHBondContact O-CB 3.46Å; L252-I256 WeakPolarHBondContact O-CD1 3.4Å; L252-I256 WeakPolarHBondContact O-CG1 3.22Å; L252-I256 PolarHBondContact O-N 3.41Å; L253-I256 PolarHBondContact O-N 3.12Å; I256-L258 PolarHBondContact O-N 3.35Å; I256-C259 PolarHBondContact O-N 2.91Å; I256-N260 WeakPolarHBondContact CG2-ND2 3.3Å; I256-N260 WeakPolarHBondContact O-CB 3.37Å; I256-N260 PolarHBondContact O-N 2.9Å; I256-N260 PolarHBondContact O-ND2 2.77Å; I256-A279 HydrophobicContact CB-CB 4.43Å; I256-A279 HydrophobicContact CD1-CB 4.17Å; I256-A279 HydrophobicContact CG2-CB 3.85Å
257V94.5Very high90.3Very high39 Ų3958.2 Ų58.224%0.23632%0.322CS..Hα-helixtrans-59.7-47.3176.9171.90000110.4L253 G254 V255 C259 N260 L261 I276L253-V257 HydrophobicContact CD1-CG2 4.24Å; L253-V257 VanDerWaalsContact O-CG2 3.3Å; L253-V257 WeakPolarHBondContact O-CG2 3.39Å; L253-V257 PolarHBondContact O-N 3.48Å; G254-V257 PolarHBondContact O-N 3.4Å; V255-V257 VanDerWaalsContact C-N 3.35Å; V255-V257 PolarHBondContact O-N 2.95Å; V257-C259 PolarHBondContact O-N 3.47Å; V257-N260 PolarHBondContact O-N 3.46Å; V257-L261 HydrophobicContact CG1-CD1 3.81Å; V257-L261 HydrophobicContact CG1-CG 4.24Å; V257-L261 WeakPolarHBondContact O-CB 3.38Å; V257-L261 VanDerWaalsContact O-CG 3.3Å; V257-L261 WeakPolarHBondContact O-CG 3.31Å; V257-L261 PolarHBondContact O-N 2.91Å; V257-I276 HydrophobicContact CG2-CG1 4.28Å; V257-I276 HydrophobicContact CG2-CG2 4.34Å
258L94.1Very high90.4Very high124 Ų12456.3 Ų56.365%0.64931%0.312SS*.Hα-helixtrans-61.4-45-179.9-172.565.6000112.4G254 V255 I256 N260 L261 Y262G254-L258 WeakPolarHBondContact O-CB 3.21Å; G254-L258 PolarHBondContact O-N 2.96Å; V255-L258 PolarHBondContact O-N 3.33Å; I256-L258 PolarHBondContact O-N 3.35Å; L258-N260 VanDerWaalsContact C-N 3.31Å; L258-N260 PolarHBondContact O-N 3.11Å; L258-L261 PolarHBondContact O-N 3.28Å; L258-Y262 WeakPolarHBondContact O-CB 3.21Å; L258-Y262 PolarHBondContact O-N 3.19Å
259C92.4Very high90.5Very high11 Ų1157.4 Ų57.47%0.07432%0.322CS..Hα-helixtrans-61.5-41.5176.4-63.50000111.6F226 A227 V255 I256 V257 Y262 L263F226-C259 VanDerWaalsContact CD1-SG 3.53Å; A227-C259 HydrophobicContact CB-CB 3.94Å; V255-C259 PolarHBondContact O-N 3.4Å; V255-C259 PolarHBondContact O-SG 3.28Å; I256-C259 PolarHBondContact O-N 2.91Å; V257-C259 PolarHBondContact O-N 3.47Å; C259-Y262 PolarHBondContact O-N 3.07Å; C259-L263 VanDerWaalsContact O-CG 3.24Å; C259-L263 WeakPolarHBondContact O-CG 3.46Å; C259-L263 PolarHBondContact O-N 2.91Å; C259-L263 VanDerWaalsContact O-N 3.15Å
260N90.3Very high90.6Very high0 Ų067.2 Ų67.20%036%0.358CS..Hα-helixtrans-70.5-35.1-179.5-84.8-90.8000112.4I256 V257 L258 L263 R267 L272 H275I256-N260 WeakPolarHBondContact CG2-ND2 3.3Å; I256-N260 WeakPolarHBondContact O-CB 3.37Å; I256-N260 PolarHBondContact O-N 2.9Å; I256-N260 PolarHBondContact O-ND2 2.77Å; V257-N260 PolarHBondContact O-N 3.46Å; L258-N260 VanDerWaalsContact C-N 3.31Å; L258-N260 PolarHBondContact O-N 3.11Å; N260-L263 PolarHBondContact O-N 3.44Å; N260-R267 VanDerWaalsContact OD1-CZ 3.24Å; N260-R267 PolarHBondContact OD1-NH1 2.64Å; N260-L272 HydrophobicContact CB-CD1 3.57Å; N260-H275 VanDerWaalsContact OD1-CB 3.27Å; N260-H275 WeakPolarHBondContact OD1-CB 3.47Å
261L91.6Very high90.6Very high91 Ų9164.3 Ų64.348%0.47635%0.346SS..Hα-helixtrans-68.6-39.8173.2-71.9174.5000112V257 L258 L263 L264 L272V257-L261 HydrophobicContact CG1-CD1 3.81Å; V257-L261 HydrophobicContact CG1-CG 4.24Å; V257-L261 WeakPolarHBondContact O-CB 3.38Å; V257-L261 VanDerWaalsContact O-CG 3.3Å; V257-L261 WeakPolarHBondContact O-CG 3.31Å; V257-L261 PolarHBondContact O-N 2.91Å; L258-L261 PolarHBondContact O-N 3.28Å; L261-L263 PolarHBondContact O-N 3.41Å; L261-L264 VanDerWaalsContact O-CB 3.24Å; L261-L264 WeakPolarHBondContact O-CB 3.25Å; L261-L264 PolarHBondContact O-N 3.47Å; L261-L272 HydrophobicContact CD2-CD2 4.31Å
262Y91.6Very high90.5Very high114 Ų11459.6 Ų59.645%0.44732%0.322SS..Hα-helixtrans-59.8-35.7173.8-177.9-100.6000111.5W219 N220 A223 L258 C259 L264W219-Y262 HydrophobicContact CB-CE1 4.48Å; W219-Y262 WeakPolarHBondContact CB-OH 3.37Å; N220-Y262 WeakPolarHBondContact OD1-CE1 3.44Å; A223-Y262 HydrophobicContact CB-CD1 3.63Å; A223-Y262 HydrophobicContact CB-CE1 4.06Å; L258-Y262 WeakPolarHBondContact O-CB 3.21Å; L258-Y262 PolarHBondContact O-N 3.19Å; C259-Y262 PolarHBondContact O-N 3.07Å; Y262-L264 VanDerWaalsContact C-N 3.27Å; Y262-L264 PolarHBondContact O-N 3.29Å
263L88.4Confident90.4Very high0 Ų062.9 Ų62.90%034%0.339CS..G310 helixtrans-84.114.7179.2-65.8171.6000114.6N220 A223 F224 C259 N260 L261 G265 L266 R267N220-L263 HydrophobicContact CB-CD2 4.39Å; A223-L263 HydrophobicContact CB-CD1 4.2Å; A223-L263 HydrophobicContact CB-CD2 3.97Å; A223-L263 HydrophobicContact CB-CG 4.03Å; F224-L263 HydrophobicContact CD1-CD1 3.7Å; F224-L263 HydrophobicContact CD2-CD1 4.04Å; F224-L263 HydrophobicContact CD2-CD2 3.76Å; F224-L263 HydrophobicContact CE1-CD1 3.73Å; F224-L263 HydrophobicContact CE2-CD1 4.05Å; F224-L263 HydrophobicContact CE2-CD2 3.5Å; F224-L263 VanDerWaalsContact CE2-CD2 3.5Å; F224-L263 HydrophobicContact CE2-CG 4.34Å; F224-L263 HydrophobicContact CG-CD1 3.84Å; F224-L263 HydrophobicContact CG-CD2 4.41Å; F224-L263 HydrophobicContact CZ-CD1 3.89Å; F224-L263 HydrophobicContact CZ-CD2 3.96Å; F224-L263 HydrophobicContact CZ-CG 4.38Å; C259-L263 VanDerWaalsContact O-CG 3.24Å; C259-L263 WeakPolarHBondContact O-CG 3.46Å; C259-L263 PolarHBondContact O-N 2.91Å; C259-L263 VanDerWaalsContact O-N 3.15Å; N260-L263 PolarHBondContact O-N 3.44Å; L261-L263 PolarHBondContact O-N 3.41Å; L263-G265 PolarHBondContact O-N 2.94Å; L263-G265 VanDerWaalsContact O-N 3.15Å; L263-L266 HydrophobicContact CD2-CD1 4.15Å; L263-L266 PolarHBondContact O-N 3Å; L263-R267 HydrophobicContact CB-CG 4.2Å; L263-R267 PolarHBondContact O-N 2.88Å
264L84.4Confident90.4Very high98 Ų9864.7 Ų64.751%0.51335%0.345SS..G310 helixtrans-57.6-29.5-177-172.373.3000113.3L261 Y262 L266 L272L261-L264 VanDerWaalsContact O-CB 3.24Å; L261-L264 WeakPolarHBondContact O-CB 3.25Å; L261-L264 PolarHBondContact O-N 3.47Å; Y262-L264 VanDerWaalsContact C-N 3.27Å; Y262-L264 PolarHBondContact O-N 3.29Å; L264-L266 VanDerWaalsContact C-N 3.34Å; L264-L272 HydrophobicContact CD1-CD2 3.55Å
265G81.6Confident90.4Very high82 Ų8263.2 Ų63.285%0.84533%0.327SS*.G310 helixtrans-72.5-24.4175.600000114.4L263L263-G265 PolarHBondContact O-N 2.94Å; L263-G265 VanDerWaalsContact O-N 3.15Å
266L84.4Confident90.4Very high81 Ų8163.5 Ų63.542%0.42433%0.327SS..THydrogen-bonded Turntrans-107.3-4.8-176-63.6172.2000112.9R202 L206 N220 F224 L263 L264R202-L266 PolarHBondContact NH1-O 2.69Å; L206-L266 HydrophobicContact CD2-CD1 3.88Å; N220-L266 HydrophobicContact CB-CD1 3.83Å; F224-L266 HydrophobicContact CE2-CB 4.37Å; F224-L266 HydrophobicContact CE2-CD1 3.91Å; F224-L266 HydrophobicContact CZ-CB 4.22Å; L263-L266 HydrophobicContact CD2-CD1 4.15Å; L263-L266 PolarHBondContact O-N 3Å; L264-L266 VanDerWaalsContact C-N 3.34Å
267R87.6Confident90.5Very high10 Ų1066.9 Ų66.94%0.03835%0.351CS..SBendtrans-122.2137.7178.8-66-179.5-174.7-122.5-9.1109.6N199 N260 L263 Q271 H275N199-R267 PolarHBondContact OD1-NH1 3.39Å; N199-R267 PolarHBondContact OD1-NH2 3.43Å; N260-R267 VanDerWaalsContact OD1-CZ 3.24Å; N260-R267 PolarHBondContact OD1-NH1 2.64Å; L263-R267 HydrophobicContact CB-CG 4.2Å; L263-R267 PolarHBondContact O-N 2.88Å; R267-Q271 HydrophobicContact CB-CB 4.47Å; R267-H275 PolarHBondContact NH1-CD2 3.11Å; R267-H275 PolarHBondContact NH1-NE2 2.95Å; R267-H275 VanDerWaalsContact NH1-NE2 3.11Å
268N89.3Confident90.6Very high77 Ų7765.3 Ų65.341%0.41234%0.341SS..  trans-73.9160.8168.269.922.6000110.6W270 Q271 L272N268-W270 PolarHBondContact O-N 2.69Å; N268-W270 PolarHBondContact OD1-N 2.92Å; N268-Q271 VanDerWaalsContact CG-CD 3.47Å; N268-Q271 PolarHBondContact ND2-NE2 2.92Å; N268-Q271 PolarHBondContact O-N 3.27Å; N268-Q271 VanDerWaalsContact O-N 3.13Å; N268-Q271 WeakPolarHBondContact OD1-CB 3.39Å; N268-Q271 WeakPolarHBondContact OD1-CG 3.48Å; N268-Q271 PolarHBondContact OD1-N 3.44Å; N268-Q271 PolarHBondContact OD1-OE1 3.3Å; N268-L272 PolarHBondContact O-N 3.35Å
269I89.3Confident90.6Very high117 Ų11759.4 Ų59.460%0.631%0.311SS*.Hα-helixtrans-57.1-37.6-177.9-61.6175.8000111.2L272 L273I269-L272 WeakPolarHBondContact O-CB 3.35Å; I269-L272 PolarHBondContact O-N 3.48Å; I269-L273 HydrophobicContact CG2-CD1 4.11Å; I269-L273 HydrophobicContact CG2-CG 4.4Å; I269-L273 WeakPolarHBondContact O-CG 3.36Å; I269-L273 PolarHBondContact O-N 3.25Å
270W91.1Very high90.7Very high209 Ų20961.3 Ų61.379%0.79232%0.324SS*.Hα-helixtrans-65.6-40.1178.9-65.3109.9000113.3N268 F274N268-W270 PolarHBondContact O-N 2.69Å; N268-W270 PolarHBondContact OD1-N 2.92Å; W270-F274 VanDerWaalsContact O-CB 3.28Å; W270-F274 WeakPolarHBondContact O-CB 3.43Å; W270-F274 PolarHBondContact O-N 3.45Å
271Q90.4Very high90.8Very high56 Ų5664.9 Ų64.926%0.26234%0.343SS..Hα-helixtrans-67.3-42.5175.4-74.8157.17.300110.6R267 N268 F274 H275R267-Q271 HydrophobicContact CB-CB 4.47Å; N268-Q271 VanDerWaalsContact CG-CD 3.47Å; N268-Q271 PolarHBondContact ND2-NE2 2.92Å; N268-Q271 PolarHBondContact O-N 3.27Å; N268-Q271 VanDerWaalsContact O-N 3.13Å; N268-Q271 WeakPolarHBondContact OD1-CB 3.39Å; N268-Q271 WeakPolarHBondContact OD1-CG 3.48Å; N268-Q271 PolarHBondContact OD1-N 3.44Å; N268-Q271 PolarHBondContact OD1-OE1 3.3Å; Q271-F274 WeakPolarHBondContact O-CB 3.36Å; Q271-F274 PolarHBondContact O-N 3.36Å; Q271-H275 PolarHBondContact O-CD2 3.39Å; Q271-H275 PolarHBondContact O-N 2.96Å
272L90.5Very high90.9Very high16 Ų1660.6 Ų60.68%0.08432%0.321CS..Hα-helixtrans-56.7-53.5174.6174.961.9000111.1N260 L261 L264 N268 I269 F274 H275 I276N260-L272 HydrophobicContact CB-CD1 3.57Å; L261-L272 HydrophobicContact CD2-CD2 4.31Å; L264-L272 HydrophobicContact CD1-CD2 3.55Å; N268-L272 PolarHBondContact O-N 3.35Å; I269-L272 WeakPolarHBondContact O-CB 3.35Å; I269-L272 PolarHBondContact O-N 3.48Å; L272-F274 VanDerWaalsContact C-N 3.27Å; L272-F274 PolarHBondContact O-N 3.15Å; L272-H275 PolarHBondContact O-N 2.99Å; L272-I276 HydrophobicContact CD1-CD1 3.59Å; L272-I276 HydrophobicContact CD1-CG1 4.14Å; L272-I276 HydrophobicContact CG-CD1 3.9Å; L272-I276 WeakPolarHBondContact O-CG1 3.4Å; L272-I276 PolarHBondContact O-N 3.41Å
273L92.3Very high90.9Very high87 Ų8755.4 Ų55.446%0.45530%0.301SS..Hα-helixtrans-59.7-39.7178.3-71.4175.6000111.9I269 S277I269-L273 HydrophobicContact CG2-CD1 4.11Å; I269-L273 HydrophobicContact CG2-CG 4.4Å; I269-L273 WeakPolarHBondContact O-CG 3.36Å; I269-L273 PolarHBondContact O-N 3.25Å; L273-S277 VanDerWaalsContact O-CB 3.23Å; L273-S277 WeakPolarHBondContact O-CB 3.34Å; L273-S277 PolarHBondContact O-N 3Å; L273-S277 PolarHBondContact O-OG 3.23Å
274F94.4Very high91.1Very high71 Ų7158.5 Ų58.531%0.31132%0.322SS..Hα-helixtrans-59.7-52.8176.4177.2-102.1000111.8L191 M194 C195 W270 Q271 L272 I276 S277 V278L191-F274 HydrophobicContact CD2-CE2 4.41Å; L191-F274 HydrophobicContact CD2-CZ 4.22Å; M194-F274 HydrophobicContact CE-CE1 3.42Å; M194-F274 VanDerWaalsContact CE-CE1 3.42Å; M194-F274 HydrophobicContact CE-CE2 4.13Å; M194-F274 HydrophobicContact CE-CZ 3.1Å; C195-F274 WeakPolarHBondContact SG-CE1 3.45Å; W270-F274 VanDerWaalsContact O-CB 3.28Å; W270-F274 WeakPolarHBondContact O-CB 3.43Å; W270-F274 PolarHBondContact O-N 3.45Å; Q271-F274 WeakPolarHBondContact O-CB 3.36Å; Q271-F274 PolarHBondContact O-N 3.36Å; L272-F274 VanDerWaalsContact C-N 3.27Å; L272-F274 PolarHBondContact O-N 3.15Å; F274-I276 PolarHBondContact O-N 3.06Å; F274-S277 PolarHBondContact O-N 3.25Å; F274-V278 HydrophobicContact CD2-CG2 4.34Å; F274-V278 HydrophobicContact CE1-CG2 4.13Å; F274-V278 HydrophobicContact CE2-CG2 3.8Å; F274-V278 HydrophobicContact CZ-CG2 3.64Å; F274-V278 WeakPolarHBondContact O-CG2 3.48Å; F274-V278 PolarHBondContact O-N 3.45Å
275H93.3Very high91.3Very high9 Ų955.1 Ų55.14%0.04231%0.305CS..Hα-helixtrans-63.8-40.6-179.3-79.9-80.9000112.8C195 N199 N260 R267 Q271 L272 A279C195-H275 PolarHBondContact SG-ND1 2.89Å; C195-H275 VanDerWaalsContact SG-ND1 3.45Å; N199-H275 PolarHBondContact OD1-CE1 3.31Å; N260-H275 VanDerWaalsContact OD1-CB 3.27Å; N260-H275 WeakPolarHBondContact OD1-CB 3.47Å; R267-H275 PolarHBondContact NH1-CD2 3.11Å; R267-H275 PolarHBondContact NH1-NE2 2.95Å; R267-H275 VanDerWaalsContact NH1-NE2 3.11Å; Q271-H275 PolarHBondContact O-CD2 3.39Å; Q271-H275 PolarHBondContact O-N 2.96Å; L272-H275 PolarHBondContact O-N 2.99Å; H275-A279 WeakPolarHBondContact O-CB 3.49Å; H275-A279 PolarHBondContact O-N 2.94Å
276I94.3Very high91.6Very high40 Ų4051.5 Ų51.521%0.20527%0.266CS..Hα-helixtrans-65.1-41.6176.1-67175.5000111V257 L272 F274 A279 S280V257-I276 HydrophobicContact CG2-CG1 4.28Å; V257-I276 HydrophobicContact CG2-CG2 4.34Å; L272-I276 HydrophobicContact CD1-CD1 3.59Å; L272-I276 HydrophobicContact CD1-CG1 4.14Å; L272-I276 HydrophobicContact CG-CD1 3.9Å; L272-I276 WeakPolarHBondContact O-CG1 3.4Å; L272-I276 PolarHBondContact O-N 3.41Å; F274-I276 PolarHBondContact O-N 3.06Å; I276-A279 PolarHBondContact O-N 3.49Å; I276-S280 VanDerWaalsContact O-CB 3.32Å; I276-S280 WeakPolarHBondContact O-CB 3.3Å; I276-S280 PolarHBondContact O-N 3.33Å; I276-S280 PolarHBondContact O-OG 3.34Å
277S94.6Very high91.6Very high73 Ų7350 Ų5051%0.5126%0.258SS..Hα-helixtrans-66.3-42.9-179.5-59.70000111.7L273 F274 S280 L281L273-S277 VanDerWaalsContact O-CB 3.23Å; L273-S277 WeakPolarHBondContact O-CB 3.34Å; L273-S277 PolarHBondContact O-N 3Å; L273-S277 PolarHBondContact O-OG 3.23Å; F274-S277 PolarHBondContact O-N 3.25Å; S277-S280 PolarHBondContact O-N 3.39Å; S277-L281 WeakPolarHBondContact O-CB 3.48Å; S277-L281 PolarHBondContact O-N 2.87Å
278V95.8Very high91.5Very high5 Ų553.8 Ų53.83%0.0328%0.283CS..Hα-helixtrans-64.2-44.6176.9173.30000111.3L191 N192 F274 S280 L281 S282L191-V278 HydrophobicContact CB-CG1 3.84Å; L191-V278 HydrophobicContact CB-CG2 3.98Å; L191-V278 HydrophobicContact CD1-CG2 4.48Å; N192-V278 HydrophobicContact CB-CG1 4.18Å; F274-V278 HydrophobicContact CD2-CG2 4.34Å; F274-V278 HydrophobicContact CE1-CG2 4.13Å; F274-V278 HydrophobicContact CE2-CG2 3.8Å; F274-V278 HydrophobicContact CZ-CG2 3.64Å; F274-V278 WeakPolarHBondContact O-CG2 3.48Å; F274-V278 PolarHBondContact O-N 3.45Å; V278-S280 VanDerWaalsContact C-N 3.32Å; V278-S280 PolarHBondContact O-N 3.45Å; V278-L281 PolarHBondContact O-N 3.42Å; V278-S282 WeakPolarHBondContact O-CB 3.32Å; V278-S282 PolarHBondContact O-N 3.21Å
279A94.4Very high91Very high1 Ų151.4 Ų51.41%0.00827%0.268CS..Hα-helixtrans-63.4-39.2177.400000111.9L253 I256 H275 I276 T283L253-A279 HydrophobicContact CD1-CB 3.76Å; I256-A279 HydrophobicContact CB-CB 4.43Å; I256-A279 HydrophobicContact CD1-CB 4.17Å; I256-A279 HydrophobicContact CG2-CB 3.85Å; H275-A279 WeakPolarHBondContact O-CB 3.49Å; H275-A279 PolarHBondContact O-N 2.94Å; I276-A279 PolarHBondContact O-N 3.49Å; A279-T283 WeakPolarHBondContact O-CB 3.24Å; A279-T283 PolarHBondContact O-N 3.15Å; A279-T283 PolarHBondContact O-OG1 2.76Å
280S94.5Very high90.2Very high50 Ų5054.8 Ų54.835%0.3527%0.273SS..Hα-helixtrans-67.9-43.9177.4-590000111.9I276 S277 V278 T283 S284I276-S280 VanDerWaalsContact O-CB 3.32Å; I276-S280 WeakPolarHBondContact O-CB 3.3Å; I276-S280 PolarHBondContact O-N 3.33Å; I276-S280 PolarHBondContact O-OG 3.34Å; S277-S280 PolarHBondContact O-N 3.39Å; V278-S280 VanDerWaalsContact C-N 3.32Å; V278-S280 PolarHBondContact O-N 3.45Å; S280-T283 PolarHBondContact O-N 3.46Å; S280-S284 WeakPolarHBondContact O-CB 3.47Å; S280-S284 PolarHBondContact O-N 3.48Å
281L93.8Very high88.9Confident75 Ų7548 Ų4839%0.39325%0.252SS..Hα-helixtrans-60-46.9175178.963.4000111.2S277 V278 T283 S284 L285S277-L281 WeakPolarHBondContact O-CB 3.48Å; S277-L281 PolarHBondContact O-N 2.87Å; V278-L281 PolarHBondContact O-N 3.42Å; L281-T283 PolarHBondContact O-N 3.42Å; L281-S284 PolarHBondContact O-N 2.93Å; L281-L285 HydrophobicContact CD1-CD1 4.07Å; L281-L285 HydrophobicContact CD1-CG 4.35Å; L281-L285 HydrophobicContact CG-CD1 4.04Å; L281-L285 WeakPolarHBondContact O-CG 3.19Å; L281-L285 PolarHBondContact O-N 3.41Å
282S92.4Very high87.1Confident2 Ų250 Ų501%0.01426%0.261CS..Hα-helixtrans-64.6-39178.4-174.80000112.6S188 N192 V278 L285 T286S188-S282 WeakPolarHBondContact OG-CA 3.34Å; S188-S282 WeakPolarHBondContact OG-CB 3.27Å; N192-S282 WeakPolarHBondContact ND2-CB 3.35Å; N192-S282 PolarHBondContact ND2-OG 2.98Å; V278-S282 WeakPolarHBondContact O-CB 3.32Å; V278-S282 PolarHBondContact O-N 3.21Å; S282-L285 PolarHBondContact O-N 3.15Å; S282-T286 WeakPolarHBondContact O-CB 3.23Å; S282-T286 PolarHBondContact O-N 2.96Å; S282-T286 PolarHBondContact O-OG1 3.32Å
283T92.6Very high84.9Confident5 Ų556.6 Ų56.63%0.03129%0.291CS..Hα-helixtrans-61.8-47.7174.3-58.20000110.5Q234 S249 F250 L253 A279 S280 L281 L285 T286 L287Q234-T283 PolarHBondContact NE2-OG1 2.94Å; S249-T283 VanDerWaalsContact OG-CG2 3.23Å; S249-T283 WeakPolarHBondContact OG-CG2 3.3Å; F250-T283 HydrophobicContact CD1-CG2 4.47Å; L253-T283 HydrophobicContact CB-CG2 4.37Å; L253-T283 HydrophobicContact CD2-CG2 4.02Å; A279-T283 WeakPolarHBondContact O-CB 3.24Å; A279-T283 PolarHBondContact O-N 3.15Å; A279-T283 PolarHBondContact O-OG1 2.76Å; S280-T283 PolarHBondContact O-N 3.46Å; L281-T283 PolarHBondContact O-N 3.42Å; T283-L285 PolarHBondContact O-N 3.02Å; T283-T286 PolarHBondContact O-N 2.76Å; T283-L287 HydrophobicContact CG2-CD1 4.13Å; T283-L287 VanDerWaalsContact O-CG 3.25Å; T283-L287 WeakPolarHBondContact O-CG 3.03Å; T283-L287 PolarHBondContact O-N 3.47Å
284S91.2Very high82.4Confident64 Ų6460 Ų6045%0.44830%0.298SS..Hα-helixtrans-60.6-45178.3-175.80000112.3S280 L281 T286 L287 T288S280-S284 WeakPolarHBondContact O-CB 3.47Å; S280-S284 PolarHBondContact O-N 3.48Å; L281-S284 PolarHBondContact O-N 2.93Å; S284-T286 PolarHBondContact O-N 3.46Å; S284-L287 PolarHBondContact O-N 2.95Å; S284-T288 WeakPolarHBondContact O-CG2 3.28Å; S284-T288 PolarHBondContact O-N 3.37Å; S284-T288 PolarHBondContact O-OG1 2.96Å
285L89.7Confident79.6Confident27 Ų2761 Ų6114%0.14131%0.31CS..Hα-helixtrans-67.2-35.5177-69.4171.1000112.5Y238 L281 S282 T283 L287 T288 R289Y238-L285 HydrophobicContact CD2-CB 4.48Å; Y238-L285 HydrophobicContact CE2-CB 3.96Å; L281-L285 HydrophobicContact CD1-CD1 4.07Å; L281-L285 HydrophobicContact CD1-CG 4.35Å; L281-L285 HydrophobicContact CG-CD1 4.04Å; L281-L285 WeakPolarHBondContact O-CG 3.19Å; L281-L285 PolarHBondContact O-N 3.41Å; S282-L285 PolarHBondContact O-N 3.15Å; T283-L285 PolarHBondContact O-N 3.02Å; L285-L287 VanDerWaalsContact C-N 3.35Å; L285-T288 WeakPolarHBondContact CA-OG1 3.24Å; L285-T288 PolarHBondContact O-N 3.04Å; L285-T288 PolarHBondContact O-OG1 3.28Å; L285-R289 VanDerWaalsContact O-CB 3.29Å; L285-R289 WeakPolarHBondContact O-CB 3.47Å; L285-R289 PolarHBondContact O-N 2.89Å
286T87Confident76.9Confident6 Ų666.8 Ų66.84%0.03734%0.341CS..Hα-helixtrans-67.1-36.3174.9-57.40000111.9L237 S282 T283 S284L237-T286 HydrophobicContact CB-CG2 4.46Å; S282-T286 WeakPolarHBondContact O-CB 3.23Å; S282-T286 PolarHBondContact O-N 2.96Å; S282-T286 PolarHBondContact O-OG1 3.32Å; T283-T286 PolarHBondContact O-N 2.76Å; S284-T286 PolarHBondContact O-N 3.46Å
287L86.2Confident74.1Confident50 Ų5071.3 Ų71.326%0.26237%0.366SS..Hα-helixtrans-72.8-37.4177.5-69.4172.7000112.5K246 F250 T283 S284 L285K246-L287 HydrophobicContact CB-CD2 4.02Å; K246-L287 HydrophobicContact CG-CD2 3.78Å; F250-L287 HydrophobicContact CE1-CD1 4.17Å; F250-L287 HydrophobicContact CE2-CD1 3.9Å; F250-L287 HydrophobicContact CE2-CD2 4.16Å; F250-L287 HydrophobicContact CZ-CD1 3.55Å; T283-L287 HydrophobicContact CG2-CD1 4.13Å; T283-L287 VanDerWaalsContact O-CG 3.25Å; T283-L287 WeakPolarHBondContact O-CG 3.03Å; T283-L287 PolarHBondContact O-N 3.47Å; S284-L287 PolarHBondContact O-N 2.95Å; L285-L287 VanDerWaalsContact C-N 3.35Å
288T83.8Confident71.8Confident90 Ų9074.1 Ų74.155%0.55238%0.384SS*.Hα-helixtrans-81.2-24.1-179.250.90000113.2S284 L285 R290S284-T288 WeakPolarHBondContact O-CG2 3.28Å; S284-T288 PolarHBondContact O-N 3.37Å; S284-T288 PolarHBondContact O-OG1 2.96Å; L285-T288 WeakPolarHBondContact CA-OG1 3.24Å; L285-T288 PolarHBondContact O-N 3.04Å; L285-T288 PolarHBondContact O-OG1 3.28Å; T288-R290 PolarHBondContact O-N 2.92Å; T288-R290 VanDerWaalsContact O-N 3.17Å
289R79.6Confident69.2Low27 Ų2776.8 Ų76.810%0.10241%0.412CS..  trans-63.7114.3176.6-166.9172.6-172.4-174.6-1.4111.1E179 Y238 K245 L285E179-R289 PolarHBondContact O-NE 3Å; E179-R289 PolarHBondContact O-NH2 3.35Å; Y238-R289 PolarHBondContact O-NH1 3.29Å; K245-R289 PolarHBondContact NZ-O 2.88Å; L285-R289 VanDerWaalsContact O-CB 3.29Å; L285-R289 WeakPolarHBondContact O-CB 3.47Å; L285-R289 PolarHBondContact O-N 2.89Å
290R73.3Confident66.3Low188 Ų18887.5 Ų87.571%0.70948%0.477SS*.  trans-82.9157.9178.1-67.2-171.8-179.2-1711.7110.6T288T288-R290 PolarHBondContact O-N 2.92Å; T288-R290 VanDerWaalsContact O-N 3.17Å
291I63Low64.9Low67 Ų6789.4 Ų89.434%0.34448%0.483SS..BIsolated β-bridgetrans-67.2137.4165.3-59.4168.8000105.2Q176 H293Q176-I291 HydrophobicContact CB-CG2 4.21Å; I291-H293 PolarHBondContact O-N 2.69Å
292H52.3Low63.4Low97 Ų9790.1 Ų90.145%0.44949%0.488SS..  trans-61.793.6173.2-178-77000108R177 E179 R294R177-H292 WeakPolarHBondContact O-CB 3.34Å; R177-H292 PolarHBondContact O-N 3.44Å; E179-H292 HydrophobicContact CG-CB 4.31Å; H292-R294 PolarHBondContact O-N 2.75Å
293H44.3Very low61.8Low155 Ų15595 Ų9572%0.71851%0.514SS*.  trans-71.3117163.9-152.7-77.1000104I291 T295I291-H293 PolarHBondContact O-N 2.69Å; H293-T295 VanDerWaalsContact C-N 3.27Å; H293-T295 PolarHBondContact O-N 3.4Å
294R39.6Very low59.9Low158 Ų158100.3 Ų100.360%0.59654%0.543SS*.  trans-61.5105.5164.8-162.9169.686.6149.30.6104.2H292 D296H292-R294 PolarHBondContact O-N 2.75Å; R294-D296 PolarHBondContact O-N 3.19Å
295T35Very low58Low93 Ų93102.6 Ų102.657%0.57155%0.549SS*.  trans-60.8120.816824.10000105.7H293 D297H293-T295 VanDerWaalsContact C-N 3.27Å; H293-T295 PolarHBondContact O-N 3.4Å; T295-D297 PolarHBondContact O-N 3.31Å
296D38.1Very low55.9Low130 Ų130107.6 Ų107.670%0.69558%0.576SS**  trans-63.281.7156.1-78.2-38.5000106.7R294 C298R294-D296 PolarHBondContact O-N 3.19Å; D296-C298 PolarHBondContact O-N 3.21Å
297D34.1Very low53.7Low135 Ų135114.9 Ų114.972%0.72262%0.615SS**  trans-76.879.8163.1-73.8-22.5000106.9T295 G299T295-D297 PolarHBondContact O-N 3.31Å; D297-G299 PolarHBondContact O-N 3.13Å
298C46.3Very low51.1Low131 Ų131119.8 Ų119.889%0.88564%0.642SS**  trans-59.1103.4144.8-77.10000107D296D296-C298 PolarHBondContact O-N 3.21Å
299G41.2Very low48.4Very low61 Ų61122.3 Ų122.363%0.62965%0.649SS**  trans-171.780.9-179.200000113.2D297D297-G299 PolarHBondContact O-N 3.13Å
300V34.3Very low45.6Very low226 Ų226131 Ų131100%1.3770%0.699SS**  trans81.30165.2-156.90000116.8

Retrieved 300 of 300 residues in 60.9 ms (Link to these results)

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