G4VHA9_SCHMA Loading...

E2 NEDD8-conjugating enzyme

AlphaFold DB , UniProt , Accession G4VHA9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 186 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
1M48.8Very low65.9Low189 Ų18990.6 Ų90.693%0.93141%0.409SS*.  099.30-133.4-168.1-82.100107.9
2I55Low65.7Low84 Ų8491 Ų9143%0.43141%0.412SS..  trans-74.3127.6174.5-65.1172.7000106.4D6I2-D6 HydrophobicContact CG2-CB 4.05Å
3R69.7Low65.1Low187 Ų18792.2 Ų92.271%0.70644%0.438SS*.  trans-70.7139.7177.2-63.7-179.9174.8-175-2.2108A5 D6 K7R3-A5 PolarHBondContact O-N 3.36Å; R3-A5 VanDerWaalsContact O-N 3.07Å; R3-D6 WeakPolarHBondContact CB-OD2 3.45Å; R3-D6 WeakPolarHBondContact O-CA 3.42Å; R3-D6 WeakPolarHBondContact O-CB 3.38Å; R3-D6 PolarHBondContact O-N 2.86Å; R3-K7 PolarHBondContact O-N 3.31Å
4L67.5Low64.6Low11 Ų1190.4 Ų90.46%0.05846%0.455CS..Hα-helixtrans-51.2-36174.5173.461.5000112.2D6 K7 I8 L118 L120 L151L4-D6 PolarHBondContact O-N 3.42Å; L4-K7 PolarHBondContact O-N 3.16Å; L4-K7 VanDerWaalsContact O-N 3.15Å; L4-I8 HydrophobicContact CD1-CD1 3.96Å; L4-I8 HydrophobicContact CD1-CG1 3.93Å; L4-I8 HydrophobicContact CD2-CD1 4.27Å; L4-I8 HydrophobicContact CG-CD1 3.72Å; L4-I8 HydrophobicContact CG-CG1 4.19Å; L4-I8 WeakPolarHBondContact O-CG1 3.47Å; L4-I8 PolarHBondContact O-N 3.25Å; L4-L118 HydrophobicContact CD2-CD1 4.42Å; L4-L120 HydrophobicContact CD2-CB 3.9Å; L4-L120 HydrophobicContact CD2-CD2 3.22Å; L4-L120 HydrophobicContact CD2-CG 4.14Å; L4-L151 HydrophobicContact CB-CD1 4.01Å; L4-L151 HydrophobicContact CB-CD2 4.33Å; L4-L151 HydrophobicContact CD1-CD1 4.06Å; L4-L151 HydrophobicContact CD2-CD1 4.29Å; L4-L151 HydrophobicContact CG-CD1 4.32Å
5A67.6Low64Low32 Ų3290.5 Ų90.526%0.26446%0.456SS..Hα-helixtrans-57-36.1173.900000113R3 R9R3-A5 PolarHBondContact O-N 3.36Å; R3-A5 VanDerWaalsContact O-N 3.07Å; A5-R9 WeakPolarHBondContact O-CB 3.25Å; A5-R9 WeakPolarHBondContact O-CD 3.26Å; A5-R9 WeakPolarHBondContact O-CG 3.44Å; A5-R9 PolarHBondContact O-N 3.37Å; A5-R9 VanDerWaalsContact O-N 3.1Å
6D72.7Confident62.7Low62 Ų6292.6 Ų92.633%0.33248%0.475SS..Hα-helixtrans-72.7-39.6176.6-58.2-37.9000111I2 R3 L4 R9 Q10I2-D6 HydrophobicContact CG2-CB 4.05Å; R3-D6 WeakPolarHBondContact CB-OD2 3.45Å; R3-D6 WeakPolarHBondContact O-CA 3.42Å; R3-D6 WeakPolarHBondContact O-CB 3.38Å; R3-D6 PolarHBondContact O-N 2.86Å; L4-D6 PolarHBondContact O-N 3.42Å; D6-R9 PolarHBondContact O-N 3.16Å; D6-Q10 WeakPolarHBondContact O-CG 3.47Å; D6-Q10 PolarHBondContact O-N 3.07Å
7K67.3Low61.7Low27 Ų2793.4 Ų93.412%0.11749%0.491CS..Hα-helixtrans-66.3-41.7176.6-167.3170.4-177.6174.30112.2R3 L4 Q10 R11 S146 D150R3-K7 PolarHBondContact O-N 3.31Å; L4-K7 PolarHBondContact O-N 3.16Å; L4-K7 VanDerWaalsContact O-N 3.15Å; K7-Q10 PolarHBondContact O-N 3.25Å; K7-R11 PolarHBondContact O-N 2.81Å; K7-R11 VanDerWaalsContact O-N 3.09Å; K7-S146 WeakPolarHBondContact CD-OG 3.19Å; K7-S146 WeakPolarHBondContact CE-OG 3.37Å; K7-S146 PolarHBondContact NZ-OG 3.33Å; K7-D150 WeakPolarHBondContact CE-OD2 3.26Å; K7-D150 IonicContact NZ-OD2 3.43Å; K7-D150 PolarHBondContact NZ-OD2 2.98Å
8I71.8Confident60.6Low8 Ų895.1 Ų95.14%0.04151%0.506CS..Hα-helixtrans-59.5-47.6173-69.7166.8000109.9L4 Q10 R11 Q12 D139 W142L4-I8 HydrophobicContact CD1-CD1 3.96Å; L4-I8 HydrophobicContact CD1-CG1 3.93Å; L4-I8 HydrophobicContact CD2-CD1 4.27Å; L4-I8 HydrophobicContact CG-CD1 3.72Å; L4-I8 HydrophobicContact CG-CG1 4.19Å; L4-I8 WeakPolarHBondContact O-CG1 3.47Å; L4-I8 PolarHBondContact O-N 3.25Å; I8-Q10 PolarHBondContact O-N 3.37Å; I8-R11 PolarHBondContact O-N 3.45Å; I8-Q12 HydrophobicContact CG2-CG 4.24Å; I8-Q12 VanDerWaalsContact CG2-NE2 3.27Å; I8-Q12 WeakPolarHBondContact O-CB 3.1Å; I8-Q12 VanDerWaalsContact O-CG 3.29Å; I8-Q12 WeakPolarHBondContact O-CG 3.44Å; I8-Q12 PolarHBondContact O-N 3.41Å; I8-D139 HydrophobicContact CD1-CB 3.73Å; I8-D139 HydrophobicContact CG1-CB 4.43Å; I8-D139 WeakPolarHBondContact CG2-OD1 3.44Å; I8-W142 HydrophobicContact CG1-CE3 4.27Å; I8-W142 HydrophobicContact CG2-CZ3 4.48Å
9R69.5Low59.7Low176 Ų17699.7 Ų99.766%0.66452%0.524SS*.Hα-helixtrans-61-41.8178.3-76170-178.4-174.7-0.1112.8A5 D6 Q12 S13A5-R9 WeakPolarHBondContact O-CB 3.25Å; A5-R9 WeakPolarHBondContact O-CD 3.26Å; A5-R9 WeakPolarHBondContact O-CG 3.44Å; A5-R9 PolarHBondContact O-N 3.37Å; A5-R9 VanDerWaalsContact O-N 3.1Å; D6-R9 PolarHBondContact O-N 3.16Å; R9-Q12 PolarHBondContact O-N 2.91Å; R9-S13 PolarHBondContact O-N 2.94Å
10Q69.9Low58.8Low132 Ų132100.9 Ų100.962%0.61754%0.538SS*.Hα-helixtrans-64.9-40178-74.1175.86.800112.5D6 K7 I8 S13D6-Q10 WeakPolarHBondContact O-CG 3.47Å; D6-Q10 PolarHBondContact O-N 3.07Å; K7-Q10 PolarHBondContact O-N 3.25Å; I8-Q10 PolarHBondContact O-N 3.37Å; Q10-S13 PolarHBondContact O-OG 2.69Å
11R65.4Low58Low89 Ų89103.9 Ų103.934%0.33655%0.554SS.*Hα-helixtrans-74.3-33.1177-73.7-171.7172.8-179.9-2112.7K7 I8 S13 W142 E145K7-R11 PolarHBondContact O-N 2.81Å; K7-R11 VanDerWaalsContact O-N 3.09Å; I8-R11 PolarHBondContact O-N 3.45Å; R11-S13 VanDerWaalsContact C-N 3.32Å; R11-S13 PolarHBondContact O-N 2.83Å; R11-W142 HydrophobicContact CB-CE3 4.34Å; R11-W142 HydrophobicContact CB-CH2 3.57Å; R11-W142 HydrophobicContact CB-CZ2 4.03Å; R11-W142 HydrophobicContact CB-CZ3 3.74Å; R11-E145 IonicContact CZ-OE2 3.6Å; R11-E145 IonicContact NH1-OE2 3.85Å; R11-E145 PolarHBondContact NH1-OE2 3.25Å; R11-E145 IonicContact NH2-OE2 2.69Å
12Q63Low57.6Low95 Ų9599.8 Ų99.844%0.44455%0.55SS.*Hα-helixtrans-69-23.9177.6-75.6177.3-4.200113.8I8 R9 G14 W142I8-Q12 HydrophobicContact CG2-CG 4.24Å; I8-Q12 VanDerWaalsContact CG2-NE2 3.27Å; I8-Q12 WeakPolarHBondContact O-CB 3.1Å; I8-Q12 VanDerWaalsContact O-CG 3.29Å; I8-Q12 WeakPolarHBondContact O-CG 3.44Å; I8-Q12 PolarHBondContact O-N 3.41Å; R9-Q12 PolarHBondContact O-N 2.91Å; Q12-G14 PolarHBondContact O-N 3.45Å; Q12-G14 VanDerWaalsContact O-N 3.16Å; Q12-W142 HydrophobicContact CG-CZ3 4.27Å
13S58.3Low57.2Low107 Ų107101.8 Ų101.875%0.74857%0.566SS**THydrogen-bonded Turntrans-69.8-5178.152.60000115.6R9 Q10 R11R9-S13 PolarHBondContact O-N 2.94Å; Q10-S13 PolarHBondContact O-OG 2.69Å; R11-S13 VanDerWaalsContact C-N 3.32Å; R11-S13 PolarHBondContact O-N 2.83Å
14G57.4Low55.9Low66 Ų6698.2 Ų98.268%0.6856%0.557SS**THydrogen-bonded Turntrans-103.40.8-17700000116.7Q12Q12-G14 PolarHBondContact O-N 3.45Å; Q12-G14 VanDerWaalsContact O-N 3.16Å
15I55.6Low54.9Low92 Ų92102.9 Ų102.947%0.47259%0.591SS.*  trans-122.7110.2-168.1-58.8158.8000110.7N48I15-N48 VanDerWaalsContact CD1-OD1 3.25Å; I15-N48 WeakPolarHBondContact CD1-OD1 3.32Å
16T43.4Very low53.8Low124 Ų124104.7 Ų104.776%0.76161%0.606SS**  trans-126.9133.9173.244.30000111.6
17S46.1Very low52.9Low106 Ų106106.8 Ų106.874%0.74163%0.626SS**  trans67.6147.9155.847.60000118.8
18T41.8Very low52.3Low124 Ų124107.6 Ų107.676%0.76163%0.633SS**  cis-177.7133.80.223.80000104.5
19E44.4Very low51.5Low184 Ų184117.6 Ų117.686%0.8667%0.67SS**  155.615794.3-115.8175173.600108.3
20P40.1Very low51.2Low122 Ų122116.7 Ų116.779%0.79268%0.678SS**  trans-102.5137.7-166.536.5-28.3000115.5
21D42.7Very low51.4Low165 Ų165111.7 Ų111.788%0.88266%0.66SS**  trans-84.6122.2171.1-89.7-32.7000112.9V23D21-V23 PolarHBondContact O-N 2.92Å
22A41.1Very low52.5Low103 Ų103110.3 Ų110.385%0.85166%0.661SS**  trans-88.783.2179.300000112.2
23V45.7Very low53.9Low126 Ų126111 Ų11176%0.76467%0.667SS**  trans-141.323.7172.6-160.90000114.3D21D21-V23 PolarHBondContact O-N 2.92Å
24Q43.6Very low55.6Low111 Ų111107.8 Ų107.852%0.51964%0.638SS.*  trans-127.268.2-175.5-70178.55.600113.6V28 L39Q24-V28 HydrophobicContact CB-CG2 3.78Å; Q24-V28 HydrophobicContact CG-CG2 4.45Å; Q24-L39 VanDerWaalsContact OE1-CD2 3.26Å
25S46.6Very low57.3Low109 Ų109107.1 Ų107.176%0.76262%0.619SS**  trans-101.7128.9179.658.20000112.2
26A42.9Very low59.1Low70 Ų70108.6 Ų108.658%0.57962%0.619SS**SBendtrans92.5-59.3179.400000117V28 R29A26-V28 PolarHBondContact O-N 3.4Å; A26-R29 PolarHBondContact O-N 3.21Å
27S54.3Low61.6Low107 Ų107104.5 Ų104.575%0.74859%0.592SS**G310 helixtrans-63.2-37.9-176.5168.80000113.4R29S27-R29 VanDerWaalsContact C-N 3.29Å; S27-R29 PolarHBondContact O-N 3.49Å
28V55.2Low63.9Low44 Ų4499.5 Ų99.527%0.26756%0.557SS.*G310 helixtrans-70.8-21.7-179-1790000113Q24 A26 N30 A31 R36Q24-V28 HydrophobicContact CB-CG2 3.78Å; Q24-V28 HydrophobicContact CG-CG2 4.45Å; A26-V28 PolarHBondContact O-N 3.4Å; V28-N30 VanDerWaalsContact C-N 3.29Å; V28-N30 PolarHBondContact O-N 3.28Å; V28-A31 WeakPolarHBondContact O-CB 3.31Å; V28-A31 PolarHBondContact O-N 3.47Å; V28-R36 HydrophobicContact CG1-CG 4.2Å
29R54.7Low66.4Low218 Ų21895.7 Ų95.782%0.82353%0.532SS*.G310 helixtrans-68.9-27.8-177.8-70.9-173.3-179.1178.51113.2A26 S27A26-R29 PolarHBondContact O-N 3.21Å; S27-R29 VanDerWaalsContact C-N 3.29Å; S27-R29 PolarHBondContact O-N 3.49Å
30N63.3Low68.8Low156 Ų15693 Ų9383%0.83452%0.519SS*.G310 helixtrans-99.73177.4-67.9-16.4000112.9V28V28-N30 VanDerWaalsContact C-N 3.29Å; V28-N30 PolarHBondContact O-N 3.28Å
31A75Confident71.5Confident28 Ų2887.8 Ų87.823%0.23148%0.484CS..  trans-70.8141-178.700000111V28 D35 R36V28-A31 WeakPolarHBondContact O-CB 3.31Å; V28-A31 PolarHBondContact O-N 3.47Å; A31-D35 HydrophobicContact CB-CB 4.21Å; A31-R36 HydrophobicContact CB-CG 3.89Å
32T88.3Confident74Confident59 Ų5980.2 Ų80.236%0.36244%0.444SS..  trans-60.5163.6176.568.40000110.8R34 D35 R36T32-R34 VanDerWaalsContact C-N 3.27Å; T32-R34 PolarHBondContact O-N 2.79Å; T32-D35 PolarHBondContact O-N 3.46Å; T32-D35 PolarHBondContact OG1-N 2.95Å; T32-D35 VanDerWaalsContact OG1-N 3.14Å; T32-D35 PolarHBondContact OG1-OD1 3.38Å; T32-D35 PolarHBondContact OG1-OD2 3.44Å; T32-R36 PolarHBondContact O-N 3.33Å; T32-R36 VanDerWaalsContact O-N 3.13Å
33I91.8Very high76.5Confident110 Ų11080.5 Ų80.556%0.56443%0.427SS*.Hα-helixtrans-57.6-44.9175.5-65.8166.6000110.2D35 R36 L37I33-D35 PolarHBondContact O-N 3.17Å; I33-R36 PolarHBondContact O-N 3.09Å; I33-L37 HydrophobicContact CG2-CD1 3.84Å; I33-L37 HydrophobicContact CG2-CG 4.37Å; I33-L37 WeakPolarHBondContact O-CG 3.29Å; I33-L37 PolarHBondContact O-N 3.32Å; I33-L37 VanDerWaalsContact O-N 3.07Å
34R94.5Very high78.8Confident40 Ų4077.2 Ų77.215%0.15140%0.404CS..Hα-helixtrans-52.5-54.5173.7177.9-166.571.5-178-4.7111.5T32 R36 L37 V38 V88 P89T32-R34 VanDerWaalsContact C-N 3.27Å; T32-R34 PolarHBondContact O-N 2.79Å; R34-R36 VanDerWaalsContact C-N 3.28Å; R34-R36 PolarHBondContact O-N 3.1Å; R34-L37 PolarHBondContact O-N 2.85Å; R34-L37 VanDerWaalsContact O-N 3.16Å; R34-V38 HydrophobicContact CG-CG2 3.96Å; R34-V38 WeakPolarHBondContact O-CB 3.2Å; R34-V38 VanDerWaalsContact O-CG2 3.29Å; R34-V38 WeakPolarHBondContact O-CG2 3.34Å; R34-V38 PolarHBondContact O-N 2.73Å; R34-V88 WeakPolarHBondContact CD-O 3.4Å; R34-V88 HydrophobicContact CG-CG1 3.9Å; R34-V88 PolarHBondContact NH1-O 3.26Å; R34-P89 WeakPolarHBondContact CD-O 3.44Å
35D92Very high81.3Confident52 Ų5271.9 Ų71.928%0.27838%0.379SS..Hα-helixtrans-65.1-35.2-171.8-56.7-31.3000111.8A31 T32 I33 L39A31-D35 HydrophobicContact CB-CB 4.21Å; T32-D35 PolarHBondContact O-N 3.46Å; T32-D35 PolarHBondContact OG1-N 2.95Å; T32-D35 VanDerWaalsContact OG1-N 3.14Å; T32-D35 PolarHBondContact OG1-OD1 3.38Å; T32-D35 PolarHBondContact OG1-OD2 3.44Å; I33-D35 PolarHBondContact O-N 3.17Å; D35-L39 VanDerWaalsContact O-CB 3.31Å; D35-L39 WeakPolarHBondContact O-CB 3.42Å; D35-L39 PolarHBondContact O-N 2.87Å
36R93.4Very high83.5Confident122 Ų12274.2 Ų74.246%0.4637%0.371SS..Hα-helixtrans-64.3-45.9173.2-71.8-173.5-73.7162.8-2112.2V28 A31 T32 I33 R34 Q40V28-R36 HydrophobicContact CG1-CG 4.2Å; A31-R36 HydrophobicContact CB-CG 3.89Å; T32-R36 PolarHBondContact O-N 3.33Å; T32-R36 VanDerWaalsContact O-N 3.13Å; I33-R36 PolarHBondContact O-N 3.09Å; R34-R36 VanDerWaalsContact C-N 3.28Å; R34-R36 PolarHBondContact O-N 3.1Å; R36-Q40 WeakPolarHBondContact O-CG 3.22Å; R36-Q40 PolarHBondContact O-N 2.84Å
37L95.8Very high86Confident38 Ų3874.7 Ų74.720%0.19938%0.375CS..Hα-helixtrans-65.1-48.3178.2-68.7171.2000111.4I33 R34 L39 Q40 E41 Y92 N93I33-L37 HydrophobicContact CG2-CD1 3.84Å; I33-L37 HydrophobicContact CG2-CG 4.37Å; I33-L37 WeakPolarHBondContact O-CG 3.29Å; I33-L37 PolarHBondContact O-N 3.32Å; I33-L37 VanDerWaalsContact O-N 3.07Å; R34-L37 PolarHBondContact O-N 2.85Å; R34-L37 VanDerWaalsContact O-N 3.16Å; L37-L39 VanDerWaalsContact C-N 3.3Å; L37-L39 PolarHBondContact O-N 3.4Å; L37-Q40 PolarHBondContact O-N 3.33Å; L37-E41 WeakPolarHBondContact O-CB 3.37Å; L37-E41 WeakPolarHBondContact O-CG 3.23Å; L37-E41 PolarHBondContact O-N 2.83Å; L37-Y92 HydrophobicContact CB-CD1 4.11Å; L37-Y92 HydrophobicContact CB-CE1 3.82Å; L37-Y92 HydrophobicContact CD1-CD1 3.96Å; L37-Y92 HydrophobicContact CD1-CE1 4Å; L37-N93 HydrophobicContact CD1-CB 4.05Å
38V95.6Very high87.9Confident1 Ų171.7 Ų71.71%0.00635%0.35CS..Hα-helixtrans-58.3-42.6179170.70000111.2R34 Q40 E41 L42 L63 V88R34-V38 HydrophobicContact CG-CG2 3.96Å; R34-V38 WeakPolarHBondContact O-CB 3.2Å; R34-V38 VanDerWaalsContact O-CG2 3.29Å; R34-V38 WeakPolarHBondContact O-CG2 3.34Å; R34-V38 PolarHBondContact O-N 2.73Å; V38-Q40 PolarHBondContact O-N 3.04Å; V38-E41 PolarHBondContact O-N 3.13Å; V38-L42 HydrophobicContact CG1-CD1 3.71Å; V38-L42 HydrophobicContact CG1-CG 4.03Å; V38-L42 VanDerWaalsContact O-CB 3.29Å; V38-L42 WeakPolarHBondContact O-CB 3.42Å; V38-L42 VanDerWaalsContact O-CG 3.23Å; V38-L42 WeakPolarHBondContact O-CG 3.31Å; V38-L42 PolarHBondContact O-N 2.87Å; V38-L63 HydrophobicContact CG1-CB 3.96Å; V38-L63 VanDerWaalsContact CG1-O 3.31Å; V38-L63 WeakPolarHBondContact CG1-O 3.32Å; V38-V88 HydrophobicContact CG2-CB 4.02Å; V38-V88 HydrophobicContact CG2-CG1 3.7Å; V38-V88 HydrophobicContact CG2-CG2 4.08Å
39L93.6Very high89.8Confident44 Ų4471.5 Ų71.523%0.2335%0.347CS..Hα-helixtrans-61.5-43.9178.3-175.664.5000112.2Q24 D35 L37 Q43 L63Q24-L39 VanDerWaalsContact OE1-CD2 3.26Å; D35-L39 VanDerWaalsContact O-CB 3.31Å; D35-L39 WeakPolarHBondContact O-CB 3.42Å; D35-L39 PolarHBondContact O-N 2.87Å; L37-L39 VanDerWaalsContact C-N 3.3Å; L37-L39 PolarHBondContact O-N 3.4Å; L39-Q43 WeakPolarHBondContact O-CG 3.21Å; L39-Q43 PolarHBondContact O-N 3.07Å; L39-L63 HydrophobicContact CD1-CD1 3.8Å
40Q94.5Very high91.8Very high127 Ų12762 Ų6259%0.59332%0.315SS*.Hα-helixtrans-66.5-46.2176.8-70.4177.9-28.400111.5R36 L37 V38 Q43 E44R36-Q40 WeakPolarHBondContact O-CG 3.22Å; R36-Q40 PolarHBondContact O-N 2.84Å; L37-Q40 PolarHBondContact O-N 3.33Å; V38-Q40 PolarHBondContact O-N 3.04Å; Q40-Q43 WeakPolarHBondContact O-CB 3.33Å; Q40-Q43 PolarHBondContact O-N 2.84Å; Q40-E44 PolarHBondContact O-N 3.14Å
41E96.8Very high93.4Very high14 Ų1461.3 Ų61.37%0.06532%0.319CS..Hα-helixtrans-71.6-31.3-176.8-70.8-174.1-149.900113.1L37 V38 Q43 E44 L45 Y92 R136 L137L37-E41 WeakPolarHBondContact O-CB 3.37Å; L37-E41 WeakPolarHBondContact O-CG 3.23Å; L37-E41 PolarHBondContact O-N 2.83Å; V38-E41 PolarHBondContact O-N 3.13Å; E41-Q43 VanDerWaalsContact C-N 3.31Å; E41-Q43 PolarHBondContact O-N 2.84Å; E41-E44 PolarHBondContact O-N 3.09Å; E41-L45 WeakPolarHBondContact O-CB 3.42Å; E41-L45 PolarHBondContact O-N 3.33Å; E41-Y92 PolarHBondContact OE1-OH 3.39Å; E41-Y92 PolarHBondContact OE2-OH 2.79Å; E41-R136 HydrophobicContact CG-CB 4.33Å; E41-R136 HydrophobicContact CG-CG 4.41Å; E41-R136 VanDerWaalsContact OE2-CA 3.22Å; E41-R136 WeakPolarHBondContact OE2-CA 3.45Å; E41-R136 VanDerWaalsContact OE2-CB 3.31Å; E41-R136 WeakPolarHBondContact OE2-CB 3.46Å; E41-L137 HydrophobicContact CB-CB 4.39Å; E41-L137 HydrophobicContact CB-CD1 4.08Å; E41-L137 HydrophobicContact CB-CG 4.28Å; E41-L137 WeakPolarHBondContact OE2-CG 3.33Å; E41-L137 PolarHBondContact OE2-N 3.3Å
42L95Very high94.4Very high6 Ų662.3 Ų62.33%0.03132%0.318CS..Hα-helixtrans-66.9-32.5173.4-76.8177.3000112.3V38 L45 R46 L63 F66 L137V38-L42 HydrophobicContact CG1-CD1 3.71Å; V38-L42 HydrophobicContact CG1-CG 4.03Å; V38-L42 VanDerWaalsContact O-CB 3.29Å; V38-L42 WeakPolarHBondContact O-CB 3.42Å; V38-L42 VanDerWaalsContact O-CG 3.23Å; V38-L42 WeakPolarHBondContact O-CG 3.31Å; V38-L42 PolarHBondContact O-N 2.87Å; L42-L45 HydrophobicContact CD2-CD2 4.22Å; L42-R46 WeakPolarHBondContact O-CB 3.5Å; L42-R46 VanDerWaalsContact O-CG 3.28Å; L42-R46 WeakPolarHBondContact O-CG 3.29Å; L42-R46 PolarHBondContact O-N 2.92Å; L42-L63 HydrophobicContact CD1-CB 3.92Å; L42-L63 HydrophobicContact CD1-CD2 4.26Å; L42-F66 HydrophobicContact CD2-CD1 4.35Å; L42-F66 HydrophobicContact CD2-CE1 4.23Å; L42-L137 HydrophobicContact CD2-CD1 4.29Å; L42-L137 HydrophobicContact CG-CD1 4.45Å
43Q93.8Very high94.8Very high109 Ų10960 Ų6051%0.50930%0.304SS..Hα-helixtrans-66.5-49173.1-70174.8-1000110.6L39 Q40 E41 L45 R46 A47L39-Q43 WeakPolarHBondContact O-CG 3.21Å; L39-Q43 PolarHBondContact O-N 3.07Å; Q40-Q43 WeakPolarHBondContact O-CB 3.33Å; Q40-Q43 PolarHBondContact O-N 2.84Å; E41-Q43 VanDerWaalsContact C-N 3.31Å; E41-Q43 PolarHBondContact O-N 2.84Å; Q43-L45 VanDerWaalsContact C-N 3.32Å; Q43-L45 PolarHBondContact O-N 2.69Å; Q43-R46 PolarHBondContact O-N 3.41Å; Q43-A47 PolarHBondContact O-N 3.1Å; Q43-A47 VanDerWaalsContact O-N 3.17Å
44E94.6Very high95.1Very high56 Ų5656.8 Ų56.826%0.26229%0.292SS..Hα-helixtrans-58.8-44.5175.3179.1177.2-158.100111.5Q40 E41 A47 N48 R136 L138Q40-E44 PolarHBondContact O-N 3.14Å; E41-E44 PolarHBondContact O-N 3.09Å; E44-A47 PolarHBondContact O-N 3.2Å; E44-N48 WeakPolarHBondContact O-CB 3.46Å; E44-N48 PolarHBondContact O-N 3.25Å; E44-N48 VanDerWaalsContact O-N 3.08Å; E44-N48 PolarHBondContact O-ND2 3.1Å; E44-R136 IonicContact OE1-CZ 2.71Å; E44-R136 IonicContact OE1-NH1 2.84Å; E44-R136 PolarHBondContact OE1-NH1 3.23Å; E44-R136 VanDerWaalsContact OE2-CD 3.26Å; E44-R136 WeakPolarHBondContact OE2-CD 3.35Å; E44-R136 IonicContact OE2-CZ 2.92Å; E44-R136 IonicContact OE2-NE 3.62Å; E44-R136 IonicContact OE2-NH1 3.72Å; E44-R136 PolarHBondContact OE2-NH1 2.8Å; E44-L138 HydrophobicContact CG-CD2 4.33Å
45L95Very high95.2Very high0 Ų056.8 Ų56.80%029%0.294CS..Hα-helixtrans-62.3-45.8-179.8177.656.6000111.4E41 L42 Q43 A47 N48 I49 I55 F66 L137 L138 V141E41-L45 WeakPolarHBondContact O-CB 3.42Å; E41-L45 PolarHBondContact O-N 3.33Å; L42-L45 HydrophobicContact CD2-CD2 4.22Å; Q43-L45 VanDerWaalsContact C-N 3.32Å; Q43-L45 PolarHBondContact O-N 2.69Å; L45-A47 VanDerWaalsContact C-N 3.25Å; L45-A47 PolarHBondContact O-N 3.07Å; L45-N48 PolarHBondContact O-N 3.01Å; L45-I49 HydrophobicContact CD1-CB 4.43Å; L45-I49 HydrophobicContact CD1-CD1 4.42Å; L45-I49 VanDerWaalsContact O-CB 3.25Å; L45-I49 WeakPolarHBondContact O-CB 3.37Å; L45-I49 PolarHBondContact O-N 3.34Å; L45-I55 HydrophobicContact CD1-CD1 4.09Å; L45-I55 HydrophobicContact CD2-CD1 3.19Å; L45-I55 HydrophobicContact CD2-CG1 4.5Å; L45-I55 HydrophobicContact CG-CD1 3.34Å; L45-F66 HydrophobicContact CD2-CE2 4.48Å; L45-F66 HydrophobicContact CD2-CZ 4.46Å; L45-L137 HydrophobicContact CD2-CB 4.17Å; L45-L138 HydrophobicContact CD1-CB 4.43Å; L45-L138 HydrophobicContact CD1-CD1 3.7Å; L45-V141 HydrophobicContact CD1-CB 3.92Å; L45-V141 HydrophobicContact CD1-CG1 4.19Å; L45-V141 HydrophobicContact CD1-CG2 3.69Å; L45-V141 HydrophobicContact CD2-CG2 4.03Å
46R93.1Very high95.3Very high157 Ų15759.5 Ų59.559%0.59231%0.305SS*.Hα-helixtrans-61.9-32.4176.2-75.1173.6-178.5169.83113.1L42 Q43L42-R46 WeakPolarHBondContact O-CB 3.5Å; L42-R46 VanDerWaalsContact O-CG 3.28Å; L42-R46 WeakPolarHBondContact O-CG 3.29Å; L42-R46 PolarHBondContact O-N 2.92Å; Q43-R46 PolarHBondContact O-N 3.41Å
47A94.8Very high95.4Very high80 Ų8055 Ų5566%0.66129%0.29SS*.Hα-helixtrans-76.9-25.9178.400000113.5Q43 E44 L45Q43-A47 PolarHBondContact O-N 3.1Å; Q43-A47 VanDerWaalsContact O-N 3.17Å; E44-A47 PolarHBondContact O-N 3.2Å; L45-A47 VanDerWaalsContact C-N 3.25Å; L45-A47 PolarHBondContact O-N 3.07Å
48N96.1Very high95.2Very high44 Ų4456.8 Ų56.824%0.23530%0.304CS..Hα-helixtrans-121.63.5-169.3-63.9-75.6000114.6I15 E44 L45 L138I15-N48 VanDerWaalsContact CD1-OD1 3.25Å; I15-N48 WeakPolarHBondContact CD1-OD1 3.32Å; E44-N48 WeakPolarHBondContact O-CB 3.46Å; E44-N48 PolarHBondContact O-N 3.25Å; E44-N48 VanDerWaalsContact O-N 3.08Å; E44-N48 PolarHBondContact O-ND2 3.1Å; L45-N48 PolarHBondContact O-N 3.01Å; N48-L138 HydrophobicContact CB-CD1 4.04Å; N48-L138 HydrophobicContact CB-CD2 3.8Å
49I95.1Very high94.9Very high40 Ų4059.3 Ų59.321%0.20532%0.317CS..  trans-67138.9177.8-166.4162000110.7L45 C53 I55 L68 V141L45-I49 HydrophobicContact CD1-CB 4.43Å; L45-I49 HydrophobicContact CD1-CD1 4.42Å; L45-I49 VanDerWaalsContact O-CB 3.25Å; L45-I49 WeakPolarHBondContact O-CB 3.37Å; L45-I49 PolarHBondContact O-N 3.34Å; I49-C53 HydrophobicContact CD1-CB 3.58Å; I49-C53 HydrophobicContact CG1-CB 3.43Å; I49-C53 VanDerWaalsContact CG1-CB 3.43Å; I49-I55 HydrophobicContact CD1-CD1 3.7Å; I49-I55 HydrophobicContact CD1-CG1 3.77Å; I49-L68 HydrophobicContact CD1-CD1 4.14Å; I49-V141 HydrophobicContact CD1-CG1 4.24Å; I49-V141 HydrophobicContact CG1-CG1 4.26Å
50S95.7Very high94.7Very high20 Ų2061.9 Ų61.914%0.1434%0.336CS..  trans-62.2149.5175.1168.90000111.1Q52 C53 E145S50-Q52 PolarHBondContact O-N 2.64Å; S50-Q52 PolarHBondContact OG-N 2.78Å; S50-C53 PolarHBondContact O-N 3.47Å; S50-C53 VanDerWaalsContact O-O 3.11Å; S50-E145 WeakPolarHBondContact CB-OE1 3.24Å; S50-E145 PolarHBondContact OG-OE1 3.14Å
51P96.1Very high94.4Very high141 Ų14162.6 Ų62.692%0.91634%0.344SS*.THydrogen-bonded Turntrans-57.3-20.2172.3-24.234.1000114.3C53P51-C53 PolarHBondContact O-N 2.84Å
52Q96.1Very high94.1Very high48 Ų4866 Ų6622%0.22436%0.359CS..THydrogen-bonded Turntrans-76.3-8.5175.4-60.9-174.449.400112.6S50 V70 R71 N73S50-Q52 PolarHBondContact O-N 2.64Å; S50-Q52 PolarHBondContact OG-N 2.78Å; Q52-V70 CarbonylContact O-C 3.55Å; Q52-V70 WeakPolarHBondContact O-CA 3.46Å; Q52-R71 WeakPolarHBondContact CB-O 3.2Å; Q52-R71 PolarHBondContact O-N 3.4Å; Q52-N73 PolarHBondContact NE2-OD1 3.14Å; Q52-N73 VanDerWaalsContact NE2-OD1 3.07Å; Q52-N73 PolarHBondContact OE1-OD1 3.24Å
53C97.6Very high94.1Very high10 Ų1068.4 Ų68.47%0.06837%0.371CS..EExtended strand (participates in β ladder)trans-126.1143.3-174-64.30000111.9I49 S50 P51 L68 I69 V141I49-C53 HydrophobicContact CD1-CB 3.58Å; I49-C53 HydrophobicContact CG1-CB 3.43Å; I49-C53 VanDerWaalsContact CG1-CB 3.43Å; S50-C53 PolarHBondContact O-N 3.47Å; S50-C53 VanDerWaalsContact O-O 3.11Å; P51-C53 PolarHBondContact O-N 2.84Å; C53-L68 HydrophobicContact CB-CD1 4.03Å; C53-I69 CarbonylContact C-O 3.55Å; C53-I69 VanDerWaalsContact CA-O 3.25Å; C53-I69 WeakPolarHBondContact CA-O 3.28Å; C53-V141 HydrophobicContact CB-CG1 4.43Å
54S97.2Very high94.2Very high44 Ų4465.2 Ų65.231%0.30836%0.356SS..EExtended strand (participates in β ladder)trans-141.3151.7174.6630000110.7I69S54-I69 PolarHBondContact N-O 3.46Å; S54-I69 PolarHBondContact O-N 2.82Å
55I96.5Very high94.3Very high39 Ų3965.7 Ų65.720%0.236%0.359CS..EExtended strand (participates in β ladder)trans-118.6131.8-177.2-65.4162.5000110.2L45 I49 F66 T67 L68L45-I55 HydrophobicContact CD1-CD1 4.09Å; L45-I55 HydrophobicContact CD2-CD1 3.19Å; L45-I55 HydrophobicContact CD2-CG1 4.5Å; L45-I55 HydrophobicContact CG-CD1 3.34Å; I49-I55 HydrophobicContact CD1-CD1 3.7Å; I49-I55 HydrophobicContact CD1-CG1 3.77Å; I55-F66 HydrophobicContact CG1-CD2 4.45Å; I55-F66 HydrophobicContact CG2-CB 4.02Å; I55-F66 HydrophobicContact CG2-CD2 3.65Å; I55-F66 HydrophobicContact CG2-CE2 4.4Å; I55-F66 HydrophobicContact CG2-CG 4.08Å; I55-T67 WeakPolarHBondContact CA-O 3.29Å; I55-L68 HydrophobicContact CG1-CD1 4.17Å
56H95.9Very high94.4Very high109 Ų10965.8 Ų65.851%0.50536%0.359SS..EExtended strand (participates in β ladder)trans-121.8137.8175.5179.3-95.1000110.1F66 T67H56-F66 WeakPolarHBondContact O-CA 3.45Å; H56-F66 WeakPolarHBondContact O-CB 3.46Å; H56-T67 PolarHBondContact N-O 3.34Å; H56-T67 PolarHBondContact O-N 2.85Å
57H94.7Very high94.7Very high28 Ų2859.1 Ų59.113%0.1334%0.336CS..  trans-107.3109.8173.8-70.570.8000108.3D59H57-D59 PolarHBondContact O-N 3.22Å
58P90.5Very high94.8Very high76 Ų7655.3 Ų55.349%0.49430%0.304SS..SBendtrans-58.9-35.5177-24.834.7000113.1
59D90.4Very high94.9Very high53 Ų5354.2 Ų54.228%0.28330%0.298SS..SBendtrans-123.9115.3172.9-178.2-10.8000108.9H57 N61 K62H57-D59 PolarHBondContact O-N 3.22Å; D59-N61 PolarHBondContact O-N 3.08Å; D59-N61 VanDerWaalsContact O-N 3.1Å; D59-N61 WeakPolarHBondContact OD1-CB 3.21Å; D59-N61 PolarHBondContact OD1-N 3.32Å; D59-N61 PolarHBondContact OD1-ND2 3.21Å; D59-K62 HydrophobicContact CB-CB 4.19Å; D59-K62 HydrophobicContact CB-CD 4.14Å; D59-K62 HydrophobicContact CB-CG 4.14Å; D59-K62 PolarHBondContact O-N 3.17Å; D59-K62 WeakPolarHBondContact OD2-CE 3.26Å
60P89.3Confident95.1Very high99 Ų9952.3 Ų52.364%0.64329%0.289SS*.THydrogen-bonded Turntrans-63.7-16.3-179.226.9-34.9000113.4
61N88.5Confident95.2Very high141 Ų14157 Ų5775%0.75430%0.303SS*.THydrogen-bonded Turntrans-84.8-14176.2-53.3-67.1000112.8D59D59-N61 PolarHBondContact O-N 3.08Å; D59-N61 VanDerWaalsContact O-N 3.1Å; D59-N61 WeakPolarHBondContact OD1-CB 3.21Å; D59-N61 PolarHBondContact OD1-N 3.32Å; D59-N61 PolarHBondContact OD1-ND2 3.21Å
62K91.2Very high95.3Very high85 Ų8550.6 Ų50.637%0.3726%0.262SS..  trans-108.774.4-179.7-64.3-177.9-175.1177.90111D59 H64 E65D59-K62 HydrophobicContact CB-CB 4.19Å; D59-K62 HydrophobicContact CB-CD 4.14Å; D59-K62 HydrophobicContact CB-CG 4.14Å; D59-K62 PolarHBondContact O-N 3.17Å; D59-K62 WeakPolarHBondContact OD2-CE 3.26Å; K62-H64 PolarHBondContact O-N 2.9Å; K62-H64 VanDerWaalsContact O-N 3.14Å; K62-E65 HydrophobicContact CB-CB 4.25Å; K62-E65 IonicContact NZ-OE2 3.84Å; K62-E65 PolarHBondContact O-N 3.38Å
63L93.9Very high95.2Very high58 Ų5853.7 Ų53.730%0.30428%0.28SS..THydrogen-bonded Turntrans-61.3-24176.6-60.3-177.1000113.6V38 L39 L42 E65V38-L63 HydrophobicContact CG1-CB 3.96Å; V38-L63 VanDerWaalsContact CG1-O 3.31Å; V38-L63 WeakPolarHBondContact CG1-O 3.32Å; L39-L63 HydrophobicContact CD1-CD1 3.8Å; L42-L63 HydrophobicContact CD1-CB 3.92Å; L42-L63 HydrophobicContact CD1-CD2 4.26Å; L63-E65 PolarHBondContact O-N 3.44Å
64H95.3Very high95.1Very high42 Ų4259.6 Ų59.619%0.19431%0.306CS..THydrogen-bonded Turntrans-76.9-4.8176.764-88000113.4K62 V87 V88K62-H64 PolarHBondContact O-N 2.9Å; K62-H64 VanDerWaalsContact O-N 3.14Å; H64-V87 CarbonylContact O-C 3.58Å; H64-V87 WeakPolarHBondContact O-CA 3.02Å; H64-V88 HydrophobicContact CB-CB 4.06Å; H64-V88 PolarHBondContact O-N 2.88Å
65E97.3Very high95Very high66 Ų6660.2 Ų60.231%0.30832%0.319SS..EExtended strand (participates in β ladder)trans-127.7117.2177.8179.9179.2176.200109.3K62 L63 I86 V87K62-E65 HydrophobicContact CB-CB 4.25Å; K62-E65 IonicContact NZ-OE2 3.84Å; K62-E65 PolarHBondContact O-N 3.38Å; L63-E65 PolarHBondContact O-N 3.44Å; E65-I86 WeakPolarHBondContact CA-O 3.24Å; E65-V87 HydrophobicContact CG-CG2 4.31Å
66F97.5Very high95Very high2 Ų260.2 Ų60.21%0.00932%0.319CS..EExtended strand (participates in β ladder)trans-148.1157.7179.162.2-88.7000111.9L42 L45 I55 H56 I86 V88 L137L42-F66 HydrophobicContact CD2-CD1 4.35Å; L42-F66 HydrophobicContact CD2-CE1 4.23Å; L45-F66 HydrophobicContact CD2-CE2 4.48Å; L45-F66 HydrophobicContact CD2-CZ 4.46Å; I55-F66 HydrophobicContact CG1-CD2 4.45Å; I55-F66 HydrophobicContact CG2-CB 4.02Å; I55-F66 HydrophobicContact CG2-CD2 3.65Å; I55-F66 HydrophobicContact CG2-CE2 4.4Å; I55-F66 HydrophobicContact CG2-CG 4.08Å; H56-F66 WeakPolarHBondContact O-CA 3.45Å; H56-F66 WeakPolarHBondContact O-CB 3.46Å; F66-I86 HydrophobicContact CD2-CB 4.22Å; F66-I86 HydrophobicContact CE1-CB 4.18Å; F66-I86 HydrophobicContact CE1-CG2 3.89Å; F66-I86 HydrophobicContact CE2-CB 3.89Å; F66-I86 HydrophobicContact CE2-CD1 3.71Å; F66-I86 HydrophobicContact CE2-CG1 4.22Å; F66-I86 HydrophobicContact CE2-CG2 4.17Å; F66-I86 HydrophobicContact CZ-CB 3.86Å; F66-I86 HydrophobicContact CZ-CD1 4.07Å; F66-I86 HydrophobicContact CZ-CG2 3.63Å; F66-I86 PolarHBondContact N-O 3.01Å; F66-I86 PolarHBondContact O-N 2.65Å; F66-V88 HydrophobicContact CE1-CG2 4.37Å; F66-L137 HydrophobicContact CE1-CD1 4.1Å; F66-L137 HydrophobicContact CE1-CD2 4.44Å; F66-L137 HydrophobicContact CZ-CD1 4.26Å; F66-L137 HydrophobicContact CZ-CD2 4.32Å
67T98.2Very high95.1Very high16 Ų1655.5 Ų55.510%0.09830%0.297CS..EExtended strand (participates in β ladder)trans-100.7120.8173.4-55.90000109I55 H56 I69 H83 F84 N85I55-T67 WeakPolarHBondContact CA-O 3.29Å; H56-T67 PolarHBondContact N-O 3.34Å; H56-T67 PolarHBondContact O-N 2.85Å; T67-I69 HydrophobicContact CG2-CG1 4.29Å; T67-H83 HydrophobicContact CG2-CB 4.11Å; T67-F84 CarbonylContact C-O 3.54Å; T67-F84 VanDerWaalsContact CA-O 3.3Å; T67-F84 WeakPolarHBondContact CA-O 3.48Å; T67-N85 PolarHBondContact OG1-OD1 2.93Å
68L98.4Very high95.2Very high0 Ų054.8 Ų54.80%030%0.296CS..EExtended strand (participates in β ladder)trans-86.6130.4164.6173.472.2000108.5I49 C53 I55 V70 F84 I86 V141 I144I49-L68 HydrophobicContact CD1-CD1 4.14Å; C53-L68 HydrophobicContact CB-CD1 4.03Å; I55-L68 HydrophobicContact CG1-CD1 4.17Å; L68-V70 HydrophobicContact CD2-CG2 3.83Å; L68-V70 HydrophobicContact CG-CG2 3.93Å; L68-F84 HydrophobicContact CB-CB 4.27Å; L68-F84 PolarHBondContact N-O 3.3Å; L68-F84 PolarHBondContact O-N 3.45Å; L68-I86 HydrophobicContact CB-CD1 3.86Å; L68-I86 HydrophobicContact CD2-CD1 4.22Å; L68-V141 HydrophobicContact CD1-CG1 3.77Å; L68-V141 HydrophobicContact CD1-CG2 4.05Å; L68-V141 HydrophobicContact CD2-CB 4.41Å; L68-V141 HydrophobicContact CD2-CG1 4.15Å; L68-V141 HydrophobicContact CD2-CG2 4.08Å; L68-I144 HydrophobicContact CD2-CB 4.06Å; L68-I144 HydrophobicContact CD2-CD1 3.76Å; L68-I144 HydrophobicContact CD2-CG2 3.95Å
69I98.4Very high95.4Very high22 Ų2256.3 Ų56.311%0.11330%0.3CS..EExtended strand (participates in β ladder)trans-111.1123.2172.4-47175.3000107.9C53 S54 T67 S81 Y82C53-I69 CarbonylContact C-O 3.55Å; C53-I69 VanDerWaalsContact CA-O 3.25Å; C53-I69 WeakPolarHBondContact CA-O 3.28Å; S54-I69 PolarHBondContact N-O 3.46Å; S54-I69 PolarHBondContact O-N 2.82Å; T67-I69 HydrophobicContact CG2-CG1 4.29Å; I69-S81 VanDerWaalsContact CG2-OG 3.27Å; I69-S81 WeakPolarHBondContact CG2-OG 3.29Å; I69-Y82 CarbonylContact C-O 3.32Å; I69-Y82 WeakPolarHBondContact CA-O 3.25Å
70V98.4Very high95.8Very high0 Ų054 Ų540%029%0.289CS..EExtended strand (participates in β ladder)trans-110.6130178-173.80000109.4Q52 L68 P72 Y82 F84 I144 F148Q52-V70 CarbonylContact O-C 3.55Å; Q52-V70 WeakPolarHBondContact O-CA 3.46Å; L68-V70 HydrophobicContact CD2-CG2 3.83Å; L68-V70 HydrophobicContact CG-CG2 3.93Å; V70-P72 HydrophobicContact CG1-CG 4.33Å; V70-Y82 PolarHBondContact N-O 3.01Å; V70-Y82 PolarHBondContact O-N 3.22Å; V70-F84 HydrophobicContact CB-CE2 4.21Å; V70-F84 HydrophobicContact CG2-CD2 3.98Å; V70-F84 HydrophobicContact CG2-CE2 3.84Å; V70-I144 HydrophobicContact CG2-CG2 4.1Å; V70-F148 HydrophobicContact CB-CE2 4.05Å; V70-F148 HydrophobicContact CG1-CD2 3.85Å; V70-F148 HydrophobicContact CG1-CE2 3.75Å; V70-F148 HydrophobicContact CG2-CE2 4.47Å
71R98.3Very high96.2Very high117 Ų11749.9 Ų49.944%0.44226%0.262SS..  trans-125.484.9178-68.1-175.9175.783.15.1109.4Q52 N73 G80 S81Q52-R71 WeakPolarHBondContact CB-O 3.2Å; Q52-R71 PolarHBondContact O-N 3.4Å; R71-N73 PolarHBondContact O-N 3.4Å; R71-G80 WeakPolarHBondContact CA-O 3.47Å; R71-S81 PolarHBondContact NE-OG 2.97Å; R71-S81 PolarHBondContact NH2-OG 3.21Å; R71-S81 VanDerWaalsContact NH2-OG 3.09Å
72P97.6Very high96.7Very high8 Ų843.2 Ų43.25%0.05223%0.227CC..  trans-55.3135176-22.334000110.5V70 W77 A78 Y82 F148V70-P72 HydrophobicContact CG1-CG 4.33Å; P72-W77 HydrophobicContact CG-CB 4.35Å; P72-A78 WeakPolarHBondContact O-CA 3.45Å; P72-Y82 HydrophobicContact CG-CD2 4.14Å; P72-Y82 HydrophobicContact CG-CE2 3.96Å; P72-F148 HydrophobicContact CB-CB 4.22Å; P72-F148 HydrophobicContact CG-CB 3.78Å; P72-F148 HydrophobicContact CG-CD1 3.57Å; P72-F148 HydrophobicContact CG-CD2 4.15Å; P72-F148 HydrophobicContact CG-CE1 4.13Å; P72-F148 HydrophobicContact CG-CG 3.56Å
73N94.8Very high97Very high113 Ų11342.1 Ų42.160%0.60422%0.223SC*.SBendtrans-96-8177.467.7-18000113.5Q52 R71Q52-N73 PolarHBondContact NE2-OD1 3.14Å; Q52-N73 VanDerWaalsContact NE2-OD1 3.07Å; Q52-N73 PolarHBondContact OE1-OD1 3.24Å; R71-N73 PolarHBondContact O-N 3.4Å
74E95Very high97.3Very high134 Ų13439.3 Ų39.363%0.62621%0.208SC*.SBendtrans-143.9169.6-179.667.7-177.2-18000111.4
75G95.3Very high97.4Very high56 Ų5640.3 Ų40.358%0.57722%0.215SC*.SBendtrans77.9-172-179.800000114.3W77 A78G75-W77 VanDerWaalsContact C-N 3.26Å; G75-W77 PolarHBondContact O-N 3.15Å; G75-A78 VanDerWaalsContact O-CB 3.31Å; G75-A78 WeakPolarHBondContact O-CB 3.39Å; G75-A78 PolarHBondContact O-N 2.91Å
76I96.3Very high97.5Very high39 Ų3937.2 Ų37.220%0.220%0.2CC..THydrogen-bonded Turntrans-62.3-36.6-171-54.3-180000111.5F173 A177 R178I76-F173 HydrophobicContact CD1-CD1 4.24Å; I76-F173 HydrophobicContact CD1-CE1 3.72Å; I76-A177 HydrophobicContact CG2-CB 3.46Å; I76-A177 VanDerWaalsContact CG2-CB 3.46Å; I76-R178 WeakPolarHBondContact O-CD 3.31Å; I76-R178 PolarHBondContact O-NH1 3.35Å
77W97.8Very high97.5Very high10 Ų1039.6 Ų39.64%0.03822%0.215CC..THydrogen-bonded Turntrans-907.3-177.4-59.2-70.2000114.2P72 G75 G80 Y82 I105 W106 H107 F148 C152 F173P72-W77 HydrophobicContact CG-CB 4.35Å; G75-W77 VanDerWaalsContact C-N 3.26Å; G75-W77 PolarHBondContact O-N 3.15Å; W77-G80 PolarHBondContact O-N 3.31Å; W77-Y82 HydrophobicContact CB-CE2 3.89Å; W77-Y82 VanDerWaalsContact CB-OH 3.32Å; W77-Y82 WeakPolarHBondContact CB-OH 3.4Å; W77-Y82 WeakPolarHBondContact O-CE2 3.49Å; W77-Y82 PolarHBondContact O-OH 2.77Å; W77-I105 HydrophobicContact CG-CD1 4.26Å; W77-W106 PolarHBondContact NE1-O 3.44Å; W77-H107 AromaticContact CE2-CD2 3.53Å; W77-H107 AromaticContact CH2-CD2 3.39Å; W77-H107 WeakPolarHBondContact CH2-CD2 3.36Å; W77-H107 AromaticContact CH2-NE2 3.69Å; W77-H107 HydrophobicContact CZ2-CB 4.08Å; W77-H107 AromaticContact CZ2-CD2 3.24Å; W77-H107 WeakPolarHBondContact CZ2-CD2 3.17Å; W77-H107 AromaticContact CZ2-CG 3.85Å; W77-H107 AromaticContact CZ3-CD2 3.84Å; W77-H107 AromaticContact CZ3-NE2 3.9Å; W77-F148 HydrophobicContact CB-CD1 3.71Å; W77-F148 HydrophobicContact CB-CE1 4.21Å; W77-F148 HydrophobicContact CD2-CD1 4.05Å; W77-F148 HydrophobicContact CE3-CB 4.33Å; W77-F148 HydrophobicContact CE3-CD1 4.06Å; W77-F148 AromaticContact CG-CD1 3.92Å; W77-F148 HydrophobicContact CG-CD1 3.92Å; W77-F148 HydrophobicContact CG-CE1 4.32Å; W77-C152 VanDerWaalsContact CH2-SG 3.58Å; W77-C152 HydrophobicContact CZ3-CB 4.42Å; W77-F173 HydrophobicContact CZ2-CZ 4.2Å
78A97.1Very high97.5Very high13 Ų1338.8 Ų38.811%0.10721%0.21CC..THydrogen-bonded Turntrans-57.4153.9172.300000111.8P72 G75 G80 R178P72-A78 WeakPolarHBondContact O-CA 3.45Å; G75-A78 VanDerWaalsContact O-CB 3.31Å; G75-A78 WeakPolarHBondContact O-CB 3.39Å; G75-A78 PolarHBondContact O-N 2.91Å; A78-G80 PolarHBondContact O-N 3.12Å; A78-R178 PolarHBondContact O-NH1 3.14Å
79D95.4Very high97.4Very high109 Ų10940.2 Ų40.258%0.58322%0.219SC*.THydrogen-bonded Turntrans67.83.6-173.8-42.3-52.8000115.2R178D79-R178 IonicContact OD2-CZ 3.94Å; D79-R178 IonicContact OD2-NH1 3.87Å; D79-R178 IonicContact OD2-NH2 3.04Å; D79-R178 PolarHBondContact OD2-NH2 2.95Å
80G97.8Very high97.2Very high4 Ų446.9 Ų46.94%0.04125%0.25CC..  trans-94.6160.5174.300000113.5R71 W77 A78 A185R71-G80 WeakPolarHBondContact CA-O 3.47Å; W77-G80 PolarHBondContact O-N 3.31Å; A78-G80 PolarHBondContact O-N 3.12Å; G80-A185 CarbonylContact C-O 3.45Å; G80-A185 WeakPolarHBondContact CA-O 3.37Å
81S98.3Very high97Very high13 Ų1348.6 Ų48.69%0.09127%0.268CS..  trans-128.6101.1175.7-178.10000109.8I69 R71 H83 A185I69-S81 VanDerWaalsContact CG2-OG 3.27Å; I69-S81 WeakPolarHBondContact CG2-OG 3.29Å; R71-S81 PolarHBondContact NE-OG 2.97Å; R71-S81 PolarHBondContact NH2-OG 3.21Å; R71-S81 VanDerWaalsContact NH2-OG 3.09Å; S81-H83 PolarHBondContact O-ND1 2.9Å; S81-A185 WeakPolarHBondContact CB-O 3.38Å; S81-A185 PolarHBondContact N-O 3.08Å
82Y98.6Very high96.9Very high1 Ų143.3 Ų43.30%0.00425%0.248CC..EExtended strand (participates in β ladder)trans-101.9122-172.4-54.2-80000110.9I69 V70 P72 W77 T103 I105 F148 V181 A185I69-Y82 CarbonylContact C-O 3.32Å; I69-Y82 WeakPolarHBondContact CA-O 3.25Å; V70-Y82 PolarHBondContact N-O 3.01Å; V70-Y82 PolarHBondContact O-N 3.22Å; P72-Y82 HydrophobicContact CG-CD2 4.14Å; P72-Y82 HydrophobicContact CG-CE2 3.96Å; W77-Y82 HydrophobicContact CB-CE2 3.89Å; W77-Y82 VanDerWaalsContact CB-OH 3.32Å; W77-Y82 WeakPolarHBondContact CB-OH 3.4Å; W77-Y82 WeakPolarHBondContact O-CE2 3.49Å; W77-Y82 PolarHBondContact O-OH 2.77Å; Y82-T103 HydrophobicContact CD1-CG2 3.83Å; Y82-T103 HydrophobicContact CE1-CG2 4.38Å; Y82-I105 HydrophobicContact CD1-CB 4.39Å; Y82-I105 HydrophobicContact CD1-CD1 3.76Å; Y82-I105 HydrophobicContact CD1-CG1 4.25Å; Y82-I105 HydrophobicContact CE1-CB 4.26Å; Y82-I105 HydrophobicContact CE1-CD1 3.55Å; Y82-I105 HydrophobicContact CE1-CG1 3.79Å; Y82-I105 HydrophobicContact CG-CD1 4.5Å; Y82-F148 HydrophobicContact CD1-CE1 4.15Å; Y82-F148 HydrophobicContact CD1-CZ 4.33Å; Y82-F148 HydrophobicContact CD2-CD1 4.27Å; Y82-F148 AromaticContact CD2-CE1 3.37Å; Y82-F148 HydrophobicContact CD2-CE1 3.37Å; Y82-F148 AromaticContact CD2-CZ 3.56Å; Y82-F148 HydrophobicContact CD2-CZ 3.56Å; Y82-F148 HydrophobicContact CE1-CE1 4.35Å; Y82-F148 HydrophobicContact CE2-CD1 4.23Å; Y82-F148 AromaticContact CE2-CE1 3.61Å; Y82-F148 HydrophobicContact CE2-CE1 3.61Å; Y82-F148 HydrophobicContact CE2-CZ 4.27Å; Y82-F148 AromaticContact CG-CE1 3.67Å; Y82-F148 HydrophobicContact CG-CE1 3.67Å; Y82-F148 AromaticContact CG-CZ 3.59Å; Y82-F148 HydrophobicContact CG-CZ 3.59Å; Y82-V181 VanDerWaalsContact OH-CG2 3.22Å; Y82-V181 WeakPolarHBondContact OH-CG2 3.44Å; Y82-A185 HydrophobicContact CD1-CB 4.24Å; Y82-A185 HydrophobicContact CE1-CB 3.69Å
83H98.5Very high96.7Very high61 Ų6144.5 Ų44.528%0.28225%0.254SS..EExtended strand (participates in β ladder)trans-98.8130.3-177-62.473.5000109.9T67 S81 C101 T102 T103T67-H83 HydrophobicContact CG2-CB 4.11Å; S81-H83 PolarHBondContact O-ND1 2.9Å; H83-C101 CarbonylContact O-C 3.56Å; H83-C101 WeakPolarHBondContact O-CA 3.47Å; H83-T102 VanDerWaalsContact CB-OG1 3.23Å; H83-T102 WeakPolarHBondContact CB-OG1 3.44Å; H83-T102 PolarHBondContact O-N 2.9Å; H83-T102 PolarHBondContact O-OG1 3.29Å; H83-T103 PolarHBondContact N-OG1 3.18Å; H83-T103 PolarHBondContact ND1-OG1 2.98Å
84F98.7Very high96.7Very high0 Ų045.4 Ų45.40%025%0.254CS..EExtended strand (participates in β ladder)trans-123.6119.7177.7-63.8-95.4000109T67 L68 V70 V99 N100 C101 I110 V116 I144 F148T67-F84 CarbonylContact C-O 3.54Å; T67-F84 VanDerWaalsContact CA-O 3.3Å; T67-F84 WeakPolarHBondContact CA-O 3.48Å; L68-F84 HydrophobicContact CB-CB 4.27Å; L68-F84 PolarHBondContact N-O 3.3Å; L68-F84 PolarHBondContact O-N 3.45Å; V70-F84 HydrophobicContact CB-CE2 4.21Å; V70-F84 HydrophobicContact CG2-CD2 3.98Å; V70-F84 HydrophobicContact CG2-CE2 3.84Å; F84-V99 HydrophobicContact CB-CG1 4.34Å; F84-V99 HydrophobicContact CD1-CG1 4.08Å; F84-N100 CarbonylContact C-O 3.59Å; F84-N100 WeakPolarHBondContact CA-O 3.45Å; F84-C101 HydrophobicContact CD1-CB 3.83Å; F84-C101 HydrophobicContact CE1-CB 3.67Å; F84-C101 HydrophobicContact CZ-CB 4.43Å; F84-I110 HydrophobicContact CE1-CD1 3.94Å; F84-I110 HydrophobicContact CZ-CD1 3.97Å; F84-V116 HydrophobicContact CD1-CG2 4.17Å; F84-V116 HydrophobicContact CE1-CG2 4.02Å; F84-I144 HydrophobicContact CD1-CG2 3.91Å; F84-I144 HydrophobicContact CD2-CG2 3.8Å; F84-I144 HydrophobicContact CE1-CG2 3.73Å; F84-I144 HydrophobicContact CE2-CG2 3.61Å; F84-I144 HydrophobicContact CG-CG2 3.94Å; F84-I144 HydrophobicContact CZ-CG2 3.58Å; F84-F148 AromaticContact CE2-CE2 3.95Å; F84-F148 HydrophobicContact CE2-CE2 3.95Å; F84-F148 AromaticContact CE2-CZ 3.96Å; F84-F148 HydrophobicContact CE2-CZ 3.96Å; F84-F148 AromaticContact CZ-CE2 3.85Å; F84-F148 HydrophobicContact CZ-CE2 3.85Å; F84-F148 AromaticContact CZ-CZ 3.77Å; F84-F148 HydrophobicContact CZ-CZ 3.77Å
85N98.4Very high96.6Very high62 Ų6241.4 Ų41.433%0.33224%0.239SC..EExtended strand (participates in β ladder)trans-80.7125.6170-72.9-6.7000108.8T67 V99 N100 T102T67-N85 PolarHBondContact OG1-OD1 2.93Å; N85-V99 WeakPolarHBondContact O-CA 3.29Å; N85-N100 PolarHBondContact N-O 3.45Å; N85-N100 PolarHBondContact O-N 3.25Å; N85-T102 HydrophobicContact CB-CG2 4.38Å; N85-T102 WeakPolarHBondContact ND2-CG2 3.34Å
86I98.4Very high96.7Very high2 Ų239.1 Ų39.11%0.0121%0.214CC..EExtended strand (participates in β ladder)trans-118.2122.3179.5-56.7-174.3000108.5E65 F66 L68 P97 L98 V99 V140 I144E65-I86 WeakPolarHBondContact CA-O 3.24Å; F66-I86 HydrophobicContact CD2-CB 4.22Å; F66-I86 HydrophobicContact CE1-CB 4.18Å; F66-I86 HydrophobicContact CE1-CG2 3.89Å; F66-I86 HydrophobicContact CE2-CB 3.89Å; F66-I86 HydrophobicContact CE2-CD1 3.71Å; F66-I86 HydrophobicContact CE2-CG1 4.22Å; F66-I86 HydrophobicContact CE2-CG2 4.17Å; F66-I86 HydrophobicContact CZ-CB 3.86Å; F66-I86 HydrophobicContact CZ-CD1 4.07Å; F66-I86 HydrophobicContact CZ-CG2 3.63Å; F66-I86 PolarHBondContact N-O 3.01Å; F66-I86 PolarHBondContact O-N 2.65Å; L68-I86 HydrophobicContact CB-CD1 3.86Å; L68-I86 HydrophobicContact CD2-CD1 4.22Å; I86-P97 HydrophobicContact CG2-CB 3.91Å; I86-L98 WeakPolarHBondContact CA-O 3.26Å; I86-V99 HydrophobicContact CG1-CG1 4.4Å; I86-V99 HydrophobicContact CG1-CG2 4.2Å; I86-V99 HydrophobicContact CG2-CG2 4.48Å; I86-V140 HydrophobicContact CD1-CG1 4.44Å; I86-I144 HydrophobicContact CD1-CD1 3.85Å
87V98Very high96.8Very high51 Ų5137.4 Ų37.431%0.30921%0.205SC..EExtended strand (participates in β ladder)trans-120.3120.4178-1780000109.4H64 E65 P89 P97 L98H64-V87 CarbonylContact O-C 3.58Å; H64-V87 WeakPolarHBondContact O-CA 3.02Å; E65-V87 HydrophobicContact CG-CG2 4.31Å; V87-P89 WeakPolarHBondContact O-CD 3.48Å; V87-P97 CarbonylContact O-C 3.53Å; V87-P97 WeakPolarHBondContact O-CA 3.28Å; V87-L98 HydrophobicContact CB-CB 4.4Å; V87-L98 PolarHBondContact N-O 3.28Å; V87-L98 PolarHBondContact O-N 2.84Å
88V97.6Very high96.8Very high0 Ų042.3 Ų42.30%023%0.231CC..  trans-88.5112.7176.5-171.90000109.1R34 V38 H64 F66 Y92 L137R34-V88 WeakPolarHBondContact CD-O 3.4Å; R34-V88 HydrophobicContact CG-CG1 3.9Å; R34-V88 PolarHBondContact NH1-O 3.26Å; V38-V88 HydrophobicContact CG2-CB 4.02Å; V38-V88 HydrophobicContact CG2-CG1 3.7Å; V38-V88 HydrophobicContact CG2-CG2 4.08Å; H64-V88 HydrophobicContact CB-CB 4.06Å; H64-V88 PolarHBondContact O-N 2.88Å; F66-V88 HydrophobicContact CE1-CG2 4.37Å; V88-Y92 VanDerWaalsContact CG1-CB 3.49Å; V88-Y92 HydrophobicContact CG1-CD1 3.82Å; V88-Y92 HydrophobicContact CG1-CD2 3.57Å; V88-Y92 HydrophobicContact CG1-CE1 4.49Å; V88-Y92 HydrophobicContact CG1-CE2 4.27Å; V88-Y92 HydrophobicContact CG1-CG 3.32Å; V88-L137 HydrophobicContact CG2-CD1 4.45Å; V88-L137 HydrophobicContact CG2-CD2 3.83Å
89P96.7Very high96.9Very high29 Ų2942.7 Ų42.719%0.18823%0.232CC..  trans-72.9163.4-175.531.5-36.3000111.8R34 V87 G91 Y92 T95 P96R34-P89 WeakPolarHBondContact CD-O 3.44Å; V87-P89 WeakPolarHBondContact O-CD 3.48Å; P89-G91 PolarHBondContact O-N 3.05Å; P89-Y92 WeakPolarHBondContact O-CB 3.45Å; P89-Y92 PolarHBondContact O-N 2.9Å; P89-Y92 VanDerWaalsContact O-N 3.1Å; P89-T95 HydrophobicContact CB-CG2 4.4Å; P89-T95 HydrophobicContact CG-CG2 3.67Å; P89-P96 WeakPolarHBondContact CG-O 3.33Å
90E94.6Very high97Very high162 Ų16240.4 Ų40.476%0.75722%0.22SC*.THydrogen-bonded Turntrans-59.6-31.6178-169.3171.4-172.600113.1Y92E90-Y92 PolarHBondContact O-N 3.1Å
91G94Very high97Very high37 Ų3740.4 Ų40.438%0.38122%0.22SC..THydrogen-bonded Turntrans-74.65.6176.200000115.5P89 H94 T95P89-G91 PolarHBondContact O-N 3.05Å; G91-H94 WeakPolarHBondContact O-CA 3.48Å; G91-H94 WeakPolarHBondContact O-CB 3.33Å; G91-H94 PolarHBondContact O-N 2.71Å; G91-T95 PolarHBondContact O-N 3Å; G91-T95 VanDerWaalsContact O-N 3.07Å
92Y95.9Very high97Very high6 Ų643.3 Ų43.32%0.02424%0.237CC..THydrogen-bonded Turntrans-65.4135.4176.8-172.4-97.4000111.5L37 E41 V88 P89 E90 T95 P97 W131L37-Y92 HydrophobicContact CB-CD1 4.11Å; L37-Y92 HydrophobicContact CB-CE1 3.82Å; L37-Y92 HydrophobicContact CD1-CD1 3.96Å; L37-Y92 HydrophobicContact CD1-CE1 4Å; E41-Y92 PolarHBondContact OE1-OH 3.39Å; E41-Y92 PolarHBondContact OE2-OH 2.79Å; V88-Y92 VanDerWaalsContact CG1-CB 3.49Å; V88-Y92 HydrophobicContact CG1-CD1 3.82Å; V88-Y92 HydrophobicContact CG1-CD2 3.57Å; V88-Y92 HydrophobicContact CG1-CE1 4.49Å; V88-Y92 HydrophobicContact CG1-CE2 4.27Å; V88-Y92 HydrophobicContact CG1-CG 3.32Å; P89-Y92 WeakPolarHBondContact O-CB 3.45Å; P89-Y92 PolarHBondContact O-N 2.9Å; P89-Y92 VanDerWaalsContact O-N 3.1Å; E90-Y92 PolarHBondContact O-N 3.1Å; Y92-T95 WeakPolarHBondContact CD2-O 3.49Å; Y92-P97 HydrophobicContact CD2-CG 4.43Å; Y92-P97 HydrophobicContact CE2-CG 4.14Å; Y92-W131 HydrophobicContact CD2-CZ2 4.09Å; Y92-W131 AromaticContact CE2-CH2 3.7Å; Y92-W131 HydrophobicContact CE2-CH2 3.7Å; Y92-W131 AromaticContact CE2-CZ2 3.39Å; Y92-W131 HydrophobicContact CE2-CZ2 3.39Å
93N93.8Very high97Very high33 Ų3344 Ų4418%0.17624%0.241CC..THydrogen-bonded Turncis-98.215.411.364.6-14.9000115.1L37 W131 P133L37-N93 HydrophobicContact CD1-CB 4.05Å; N93-W131 PolarHBondContact O-NE1 3.33Å; N93-P133 PolarHBondContact ND2-O 2.97Å; N93-P133 WeakPolarHBondContact O-CA 3.47Å
94H93.7Very high97Very high132 Ų13246.1 Ų46.161%0.61125%0.251SS*.THydrogen-bonded Turntrans-78.9-26173.9-65.7-74.3000112.6G91 Q123G91-H94 WeakPolarHBondContact O-CA 3.48Å; G91-H94 WeakPolarHBondContact O-CB 3.33Å; G91-H94 PolarHBondContact O-N 2.71Å; H94-Q123 PolarHBondContact O-NE2 3.3Å
95T94.7Very high97Very high49 Ų4946.2 Ų46.230%0.30125%0.252SS..SBendtrans-109.6135.1175.6-57.60000110.8P89 G91 Y92 Q123P89-T95 HydrophobicContact CB-CG2 4.4Å; P89-T95 HydrophobicContact CG-CG2 3.67Å; G91-T95 PolarHBondContact O-N 3Å; G91-T95 VanDerWaalsContact O-N 3.07Å; Y92-T95 WeakPolarHBondContact CD2-O 3.49Å; T95-Q123 VanDerWaalsContact CA-OE1 3.25Å; T95-Q123 PolarHBondContact OG1-OE1 3.31Å
96P97Very high97Very high8 Ų844.2 Ų44.25%0.05224%0.24CC..PPolyproline II helixtrans-64.8154.717824.1-29000111.6P89 L121 W131P89-P96 WeakPolarHBondContact CG-O 3.33Å; P96-L121 HydrophobicContact CB-CD2 4.49Å; P96-L121 VanDerWaalsContact CG-O 3.24Å; P96-L121 WeakPolarHBondContact CG-O 3.36Å; P96-W131 VanDerWaalsContact CA-CD2 3.47Å; P96-W131 HydrophobicContact CB-CB 3.86Å; P96-W131 HydrophobicContact CB-CD2 3.5Å; P96-W131 HydrophobicContact CB-CE3 3.67Å; P96-W131 HydrophobicContact CB-CG 3.56Å; P96-W131 HydrophobicContact CB-CZ3 4.47Å; P96-W131 HydrophobicContact CG-CB 3.98Å; P96-W131 HydrophobicContact CG-CD2 4.44Å; P96-W131 HydrophobicContact CG-CG 3.99Å
97P97.9Very high97Very high3 Ų344.1 Ų44.12%0.01924%0.239CC..PPolyproline II helixtrans-57.9144.8165.2-23.335.4000111.6I86 V87 Y92 W131 L137 V140I86-P97 HydrophobicContact CG2-CB 3.91Å; V87-P97 CarbonylContact O-C 3.53Å; V87-P97 WeakPolarHBondContact O-CA 3.28Å; Y92-P97 HydrophobicContact CD2-CG 4.43Å; Y92-P97 HydrophobicContact CE2-CG 4.14Å; P97-W131 HydrophobicContact CG-CH2 4.39Å; P97-L137 HydrophobicContact CB-CD2 4.48Å; P97-L137 HydrophobicContact CG-CD2 3.71Å; P97-V140 HydrophobicContact CG-CG2 4.18Å
98L97.8Very high97Very high113 Ų11341.7 Ų41.759%0.59222%0.224SC*.EExtended strand (participates in β ladder)trans-83.8130.9170.3-56.8176.8000108.5I86 V87I86-L98 WeakPolarHBondContact CA-O 3.26Å; V87-L98 HydrophobicContact CB-CB 4.4Å; V87-L98 PolarHBondContact N-O 3.28Å; V87-L98 PolarHBondContact O-N 2.84Å
99V98.5Very high97Very high21 Ų2142 Ų4213%0.12723%0.226CC..EExtended strand (participates in β ladder)trans-126.1129.5-178.4-177.70000109.4F84 N85 I86 V116 L121 V140 I144F84-V99 HydrophobicContact CB-CG1 4.34Å; F84-V99 HydrophobicContact CD1-CG1 4.08Å; N85-V99 WeakPolarHBondContact O-CA 3.29Å; I86-V99 HydrophobicContact CG1-CG1 4.4Å; I86-V99 HydrophobicContact CG1-CG2 4.2Å; I86-V99 HydrophobicContact CG2-CG2 4.48Å; V99-V116 HydrophobicContact CG1-CG2 4.2Å; V99-L121 HydrophobicContact CB-CD1 3.74Å; V99-L121 HydrophobicContact CG2-CD1 3.61Å; V99-L121 HydrophobicContact CG2-CD2 3.98Å; V99-L121 HydrophobicContact CG2-CG 4.48Å; V99-V140 HydrophobicContact CG2-CG1 4.01Å; V99-I144 HydrophobicContact CG1-CD1 3.68Å; V99-I144 HydrophobicContact CG1-CG1 4.35Å; V99-I144 HydrophobicContact CG2-CD1 4.26Å
100N98.3Very high97Very high62 Ų6240.6 Ų40.633%0.33222%0.217SC..EExtended strand (participates in β ladder)trans-135.5126.4175-172.283.5000110.8F84 N85 G114F84-N100 CarbonylContact C-O 3.59Å; F84-N100 WeakPolarHBondContact CA-O 3.45Å; N85-N100 PolarHBondContact N-O 3.45Å; N85-N100 PolarHBondContact O-N 3.25Å; N100-G114 CarbonylContact C-O 3.5Å; N100-G114 WeakPolarHBondContact CA-O 3.33Å; N100-G114 PolarHBondContact OD1-O 2.9Å
101C98.6Very high97.2Very high4 Ų433.6 Ų33.63%0.02719%0.185CC..EExtended strand (participates in β ladder)trans-73.9122.9171.4-171.20000109.6H83 F84 T103 I110 G114 V116H83-C101 CarbonylContact O-C 3.56Å; H83-C101 WeakPolarHBondContact O-CA 3.47Å; F84-C101 HydrophobicContact CD1-CB 3.83Å; F84-C101 HydrophobicContact CE1-CB 3.67Å; F84-C101 HydrophobicContact CZ-CB 4.43Å; C101-T103 PolarHBondContact SG-O 2.87Å; C101-I110 HydrophobicContact CB-CG2 3.72Å; C101-G114 PolarHBondContact N-O 2.83Å; C101-G114 WeakPolarHBondContact O-CA 3.48Å; C101-V116 HydrophobicContact CB-CG2 4.27Å
102T98Very high97.2Very high74 Ų7437.9 Ų37.945%0.45420%0.195SC..  trans-96.1-16177.554.80000112.8H83 N85H83-T102 VanDerWaalsContact CB-OG1 3.23Å; H83-T102 WeakPolarHBondContact CB-OG1 3.44Å; H83-T102 PolarHBondContact O-N 2.9Å; H83-T102 PolarHBondContact O-OG1 3.29Å; N85-T102 HydrophobicContact CB-CG2 4.38Å; N85-T102 WeakPolarHBondContact ND2-CG2 3.34Å
103T98.3Very high97.2Very high15 Ų1541 Ų419%0.09222%0.222CC..SBendtrans-83.3129172.1-57.40000110Y82 H83 C101 I105 F184 A185Y82-T103 HydrophobicContact CD1-CG2 3.83Å; Y82-T103 HydrophobicContact CE1-CG2 4.38Å; H83-T103 PolarHBondContact N-OG1 3.18Å; H83-T103 PolarHBondContact ND1-OG1 2.98Å; C101-T103 PolarHBondContact SG-O 2.87Å; T103-I105 PolarHBondContact O-N 3.42Å; T103-F184 WeakPolarHBondContact CG2-O 3.42Å; T103-A185 HydrophobicContact CG2-CB 3.91Å
104Q98.1Very high97.4Very high105 Ų10539.6 Ų39.649%0.49122%0.216SC..  trans-64.6131.1171.8-68.6-175.434.700110F184Q104-F184 HydrophobicContact CB-CB 4.01Å; Q104-F184 HydrophobicContact CB-CD1 4.33Å; Q104-F184 HydrophobicContact CB-CD2 3.77Å; Q104-F184 HydrophobicContact CB-CE2 4.3Å; Q104-F184 HydrophobicContact CB-CG 3.79Å
105I98.4Very high97.6Very high3 Ų340.4 Ų40.42%0.01521%0.213CC..  trans-145.7140.4-175.3-169.3179.3000110.6W77 Y82 T103 H107 I110 F148W77-I105 HydrophobicContact CG-CD1 4.26Å; Y82-I105 HydrophobicContact CD1-CB 4.39Å; Y82-I105 HydrophobicContact CD1-CD1 3.76Å; Y82-I105 HydrophobicContact CD1-CG1 4.25Å; Y82-I105 HydrophobicContact CE1-CB 4.26Å; Y82-I105 HydrophobicContact CE1-CD1 3.55Å; Y82-I105 HydrophobicContact CE1-CG1 3.79Å; Y82-I105 HydrophobicContact CG-CD1 4.5Å; T103-I105 PolarHBondContact O-N 3.42Å; I105-H107 HydrophobicContact CD1-CB 3.91Å; I105-H107 HydrophobicContact CG1-CB 3.98Å; I105-H107 HydrophobicContact CG2-CB 4.15Å; I105-I110 HydrophobicContact CD1-CD1 4.45Å; I105-I110 HydrophobicContact CG2-CB 3.87Å; I105-I110 HydrophobicContact CG2-CD1 4.21Å; I105-I110 HydrophobicContact CG2-CG2 3.66Å; I105-F148 HydrophobicContact CD1-CD1 4.46Å; I105-F148 HydrophobicContact CD1-CE1 3.59Å; I105-F148 HydrophobicContact CD1-CZ 4.28Å
106W98.3Very high97.7Very high19 Ų1939.1 Ų39.17%0.07221%0.205CC..  trans-91101166.9-161.2-115.6000108.7W77 T161 A162 Q165 F173 T176 A177 Y180W77-W106 PolarHBondContact NE1-O 3.44Å; W106-T161 HydrophobicContact CH2-CG2 3.75Å; W106-T161 HydrophobicContact CZ2-CG2 4.16Å; W106-A162 HydrophobicContact CD2-CB 4.16Å; W106-A162 HydrophobicContact CH2-CB 4.49Å; W106-A162 HydrophobicContact CZ2-CB 3.9Å; W106-Q165 VanDerWaalsContact CE2-OE1 3.29Å; W106-F173 AromaticContact CD1-CD2 3.69Å; W106-F173 AromaticContact CD1-CE2 3.55Å; W106-F173 AromaticContact NE1-CD2 3.55Å; W106-F173 AromaticContact NE1-CE2 3.74Å; W106-T176 HydrophobicContact CD2-CG2 3.97Å; W106-T176 HydrophobicContact CG-CG2 3.85Å; W106-A177 HydrophobicContact CB-CB 4.29Å; W106-Y180 HydrophobicContact CB-CD1 4.05Å; W106-Y180 HydrophobicContact CB-CD2 4.15Å; W106-Y180 HydrophobicContact CB-CE1 4.38Å; W106-Y180 HydrophobicContact CB-CE2 4.49Å; W106-Y180 HydrophobicContact CB-CG 3.91Å; W106-Y180 HydrophobicContact CE3-CE1 4.17Å; W106-Y180 HydrophobicContact CE3-CE2 4.38Å; W106-Y180 AromaticContact CE3-CZ 3.87Å
107H98.3Very high97.7Very high0 Ų040 Ų400%021%0.212CC..BIsolated β-bridgetrans-149.4139.9-172.6-171.6-76.2000110.2W77 I105 N109 I110 L147 N159W77-H107 AromaticContact CE2-CD2 3.53Å; W77-H107 AromaticContact CH2-CD2 3.39Å; W77-H107 WeakPolarHBondContact CH2-CD2 3.36Å; W77-H107 AromaticContact CH2-NE2 3.69Å; W77-H107 HydrophobicContact CZ2-CB 4.08Å; W77-H107 AromaticContact CZ2-CD2 3.24Å; W77-H107 WeakPolarHBondContact CZ2-CD2 3.17Å; W77-H107 AromaticContact CZ2-CG 3.85Å; W77-H107 AromaticContact CZ3-CD2 3.84Å; W77-H107 AromaticContact CZ3-NE2 3.9Å; I105-H107 HydrophobicContact CD1-CB 3.91Å; I105-H107 HydrophobicContact CG1-CB 3.98Å; I105-H107 HydrophobicContact CG2-CB 4.15Å; H107-N109 PolarHBondContact CE1-OD1 2.87Å; H107-N109 PolarHBondContact ND1-N 3.01Å; H107-N109 PolarHBondContact O-N 3.19Å; H107-I110 HydrophobicContact CB-CB 4.11Å; H107-I110 HydrophobicContact CB-CG1 4.47Å; H107-I110 PolarHBondContact ND1-N 3.01Å; H107-L147 PolarHBondContact NE2-O 3.19Å; H107-N159 VanDerWaalsContact O-CB 3.26Å; H107-N159 WeakPolarHBondContact O-CB 3.45Å
108P97.8Very high97.5Very high0 Ų040.3 Ų40.30%021%0.213CC..THydrogen-bonded Turntrans-66.8-35.1-178.126.5-35.6000113.4C152 D153 F154 A157 L158 N159P108-C152 VanDerWaalsContact CG-SG 3.52Å; P108-D153 WeakPolarHBondContact CB-O 3.17Å; P108-F154 HydrophobicContact CB-CD1 3.63Å; P108-F154 HydrophobicContact CB-CE1 3.86Å; P108-F154 HydrophobicContact CB-CG 4.17Å; P108-F154 HydrophobicContact CG-CD1 3.77Å; P108-F154 HydrophobicContact CG-CD2 4.33Å; P108-F154 HydrophobicContact CG-CE1 3.62Å; P108-F154 HydrophobicContact CG-CE2 4.18Å; P108-F154 HydrophobicContact CG-CG 4.15Å; P108-F154 HydrophobicContact CG-CZ 3.84Å; P108-A157 HydrophobicContact CB-CB 3.92Å; P108-A157 CarbonylContact O-C 3.58Å; P108-A157 WeakPolarHBondContact O-CA 3.32Å; P108-A157 WeakPolarHBondContact O-CB 3.44Å; P108-L158 PolarHBondContact O-N 3.27Å; P108-N159 PolarHBondContact O-N 3.01Å
109N97.9Very high97.3Very high6 Ų636.6 Ų36.63%0.03220%0.196CC..THydrogen-bonded Turntrans-96.84.5-179.6-43.9103000115.2H107 C117 L147 L151 C152 D153H107-N109 PolarHBondContact CE1-OD1 2.87Å; H107-N109 PolarHBondContact ND1-N 3.01Å; H107-N109 PolarHBondContact O-N 3.19Å; N109-C117 HydrophobicContact CB-CB 4.31Å; N109-C117 PolarHBondContact O-N 3.43Å; N109-L147 HydrophobicContact CB-CD2 4.1Å; N109-L151 PolarHBondContact OD1-O 3.11Å; N109-C152 WeakPolarHBondContact OD1-CA 3.31Å; N109-D153 PolarHBondContact ND2-O 3.19Å; N109-D153 PolarHBondContact OD1-N 3.19Å; N109-D153 PolarHBondContact OD1-O 2.69Å
110I98.2Very high97Very high0 Ų035.7 Ų35.70%019%0.191CC..BIsolated β-bridgetrans-131.5123175.4-53.3170.8000107.4F84 C101 I105 H107 R115 V116 L147F84-I110 HydrophobicContact CE1-CD1 3.94Å; F84-I110 HydrophobicContact CZ-CD1 3.97Å; C101-I110 HydrophobicContact CB-CG2 3.72Å; I105-I110 HydrophobicContact CD1-CD1 4.45Å; I105-I110 HydrophobicContact CG2-CB 3.87Å; I105-I110 HydrophobicContact CG2-CD1 4.21Å; I105-I110 HydrophobicContact CG2-CG2 3.66Å; H107-I110 HydrophobicContact CB-CB 4.11Å; H107-I110 HydrophobicContact CB-CG1 4.47Å; H107-I110 PolarHBondContact ND1-N 3.01Å; I110-R115 WeakPolarHBondContact CA-O 3.45Å; I110-V116 HydrophobicContact CG1-CG2 4.4Å; I110-L147 HydrophobicContact CD1-CD1 4.48Å; I110-L147 HydrophobicContact CG1-CD1 4.49Å
111D96.7Very high96.9Very high16 Ų1634.1 Ų34.19%0.08618%0.182CC..  trans-90.8174.3-17978.5-6.2000113.3A113 G114 R115 L158D111-A113 PolarHBondContact O-N 3.29Å; D111-A113 PolarHBondContact OD1-N 3.27Å; D111-A113 VanDerWaalsContact OD1-N 3.11Å; D111-G114 PolarHBondContact O-N 3.25Å; D111-G114 PolarHBondContact OD1-N 3.19Å; D111-R115 PolarHBondContact N-O 3.47Å; D111-R115 WeakPolarHBondContact OD1-CB 3.39Å; D111-R115 PolarHBondContact OD1-N 3.49Å; D111-R115 IonicContact OD1-NE 3.84Å; D111-R115 IonicContact OD2-CZ 3.03Å; D111-R115 IonicContact OD2-NE 2.65Å; D111-R115 PolarHBondContact OD2-NE 2.99Å; D111-R115 IonicContact OD2-NH2 2.62Å; D111-R115 PolarHBondContact OD2-NH2 2.91Å; D111-L158 HydrophobicContact CB-CD2 4.19Å; D111-L158 HydrophobicContact CB-CG 4.19Å
112E94.9Very high96.6Very high126 Ų12638.4 Ų38.459%0.58920%0.198SC*.THydrogen-bonded Turntrans-66.9-17-178.1-60-164.1140.500113.7G114 Y180E112-G114 VanDerWaalsContact C-N 3.31Å; E112-Y180 PolarHBondContact OE1-OH 3.34Å
113A96.8Very high96Very high71 Ų7139.2 Ų39.259%0.58720%0.196SC*.THydrogen-bonded Turntrans-84.7-6.1173.700000112.8D111 R115D111-A113 PolarHBondContact O-N 3.29Å; D111-A113 PolarHBondContact OD1-N 3.27Å; D111-A113 VanDerWaalsContact OD1-N 3.11Å; A113-R115 HydrophobicContact CB-CG 4.47Å
114G97.6Very high95Very high5 Ų543.8 Ų43.85%0.05223%0.229CC..  trans88.95.3-179.100000114.6N100 C101 D111 E112N100-G114 CarbonylContact C-O 3.5Å; N100-G114 WeakPolarHBondContact CA-O 3.33Å; N100-G114 PolarHBondContact OD1-O 2.9Å; C101-G114 PolarHBondContact N-O 2.83Å; C101-G114 WeakPolarHBondContact O-CA 3.48Å; D111-G114 PolarHBondContact O-N 3.25Å; D111-G114 PolarHBondContact OD1-N 3.19Å; E112-G114 VanDerWaalsContact C-N 3.31Å
115R97.7Very high93.7Very high149 Ų14940.3 Ų40.356%0.56222%0.216SC*.BIsolated β-bridgetrans-68.9138.1176.8-60.6-178.9-66176.71.5108.9I110 D111 A113 L158I110-R115 WeakPolarHBondContact CA-O 3.45Å; D111-R115 PolarHBondContact N-O 3.47Å; D111-R115 WeakPolarHBondContact OD1-CB 3.39Å; D111-R115 PolarHBondContact OD1-N 3.49Å; D111-R115 IonicContact OD1-NE 3.84Å; D111-R115 IonicContact OD2-CZ 3.03Å; D111-R115 IonicContact OD2-NE 2.65Å; D111-R115 PolarHBondContact OD2-NE 2.99Å; D111-R115 IonicContact OD2-NH2 2.62Å; D111-R115 PolarHBondContact OD2-NH2 2.91Å; A113-R115 HydrophobicContact CB-CG 4.47Å; R115-L158 HydrophobicContact CB-CD2 3.87Å; R115-L158 WeakPolarHBondContact O-CD2 3.48Å
116V97.7Very high92.6Very high22 Ų2248.7 Ų48.713%0.13326%0.26CS..BIsolated β-bridgetrans-111.9120.3-176.8-178.70000109.8F84 V99 C101 I110 L118 L147F84-V116 HydrophobicContact CD1-CG2 4.17Å; F84-V116 HydrophobicContact CE1-CG2 4.02Å; V99-V116 HydrophobicContact CG1-CG2 4.2Å; C101-V116 HydrophobicContact CB-CG2 4.27Å; I110-V116 HydrophobicContact CG1-CG2 4.4Å; V116-L118 HydrophobicContact CG1-CB 4.03Å; V116-L118 PolarHBondContact O-N 3.36Å; V116-L147 HydrophobicContact CG1-CD1 3.47Å; V116-L147 VanDerWaalsContact CG1-CD1 3.47Å
117C95.5Very high91.8Very high27 Ų2752.1 Ų52.118%0.18228%0.28CS..  trans-86.998.9169.1-174.70000109.4N109 R122 L158N109-C117 HydrophobicContact CB-CB 4.31Å; N109-C117 PolarHBondContact O-N 3.43Å; C117-R122 PolarHBondContact SG-NH2 2.81Å; C117-L158 HydrophobicContact CB-CB 3.79Å; C117-L158 HydrophobicContact CB-CD2 4.09Å; C117-L158 HydrophobicContact CB-CG 4.4Å
118L94.6Very high91Very high9 Ų960.9 Ų60.95%0.04732%0.318CS..  trans-136.7116.1175.3-177.960.7000107.9L4 V116 L120 L121 I144 L147 L151L4-L118 HydrophobicContact CD2-CD1 4.42Å; V116-L118 HydrophobicContact CG1-CB 4.03Å; V116-L118 PolarHBondContact O-N 3.36Å; L118-L120 HydrophobicContact CD1-CD2 3.91Å; L118-L120 HydrophobicContact CD2-CD2 3.33Å; L118-L120 HydrophobicContact CD2-CG 4.01Å; L118-L120 HydrophobicContact CG-CD2 3.42Å; L118-L120 VanDerWaalsContact CG-CD2 3.42Å; L118-L120 HydrophobicContact CG-CG 3.85Å; L118-L120 PolarHBondContact O-N 3.36Å; L118-L120 VanDerWaalsContact O-N 3.12Å; L118-L121 HydrophobicContact CB-CD1 4.1Å; L118-L121 HydrophobicContact CB-CG 4.32Å; L118-L121 HydrophobicContact CD2-CD1 4.25Å; L118-L121 HydrophobicContact CD2-CG 4.36Å; L118-L121 WeakPolarHBondContact O-CB 3.42Å; L118-L121 PolarHBondContact O-N 2.74Å; L118-I144 HydrophobicContact CD2-CG1 3.94Å; L118-L147 HydrophobicContact CD1-CD2 4.03Å; L118-L147 HydrophobicContact CD1-CG 4.34Å; L118-L151 HydrophobicContact CD1-CD1 3.85Å
119S92.8Very high90.4Very high35 Ų3562.2 Ų62.225%0.24533%0.327CS..G310 helixtrans-55.8-37-168.157.20000113L121 R122 S129 G130S119-L121 PolarHBondContact O-N 2.94Å; S119-L121 VanDerWaalsContact O-N 3.08Å; S119-R122 VanDerWaalsContact O-CB 3.26Å; S119-R122 WeakPolarHBondContact O-CB 3.3Å; S119-R122 VanDerWaalsContact O-CG 3.29Å; S119-R122 WeakPolarHBondContact O-CG 3.5Å; S119-R122 PolarHBondContact O-N 3.44Å; S119-S129 WeakPolarHBondContact CB-OG 3.5Å; S119-G130 WeakPolarHBondContact O-CA 3.35Å
120L93.4Very high90.1Very high1 Ų162 Ų621%0.00533%0.327CS..G310 helixtrans-57.9-23.5178.183.8100.1000114.1L4 L118 R122 G130 W131 V140L4-L120 HydrophobicContact CD2-CB 3.9Å; L4-L120 HydrophobicContact CD2-CD2 3.22Å; L4-L120 HydrophobicContact CD2-CG 4.14Å; L118-L120 HydrophobicContact CD1-CD2 3.91Å; L118-L120 HydrophobicContact CD2-CD2 3.33Å; L118-L120 HydrophobicContact CD2-CG 4.01Å; L118-L120 HydrophobicContact CG-CD2 3.42Å; L118-L120 VanDerWaalsContact CG-CD2 3.42Å; L118-L120 HydrophobicContact CG-CG 3.85Å; L118-L120 PolarHBondContact O-N 3.36Å; L118-L120 VanDerWaalsContact O-N 3.12Å; L120-R122 VanDerWaalsContact C-N 3.32Å; L120-G130 CarbonylContact O-C 3.58Å; L120-W131 HydrophobicContact CD1-CE3 4.35Å; L120-W131 HydrophobicContact CD1-CZ3 4.29Å; L120-W131 VanDerWaalsContact O-CA 3.32Å; L120-W131 WeakPolarHBondContact O-CA 3.48Å; L120-W131 WeakPolarHBondContact O-CB 3.25Å; L120-W131 PolarHBondContact O-N 3.07Å; L120-V140 HydrophobicContact CD1-CB 4.23Å; L120-V140 HydrophobicContact CD1-CG2 3.66Å
121L94.9Very high90Very high29 Ų2962.9 Ų62.915%0.15233%0.33CS..G310 helixtrans-86.7-1.3-180-60.2177.5000112.7P96 V99 L118 S119 Q123 V140P96-L121 HydrophobicContact CB-CD2 4.49Å; P96-L121 VanDerWaalsContact CG-O 3.24Å; P96-L121 WeakPolarHBondContact CG-O 3.36Å; V99-L121 HydrophobicContact CB-CD1 3.74Å; V99-L121 HydrophobicContact CG2-CD1 3.61Å; V99-L121 HydrophobicContact CG2-CD2 3.98Å; V99-L121 HydrophobicContact CG2-CG 4.48Å; L118-L121 HydrophobicContact CB-CD1 4.1Å; L118-L121 HydrophobicContact CB-CG 4.32Å; L118-L121 HydrophobicContact CD2-CD1 4.25Å; L118-L121 HydrophobicContact CD2-CG 4.36Å; L118-L121 WeakPolarHBondContact O-CB 3.42Å; L118-L121 PolarHBondContact O-N 2.74Å; S119-L121 PolarHBondContact O-N 2.94Å; S119-L121 VanDerWaalsContact O-N 3.08Å; L121-Q123 PolarHBondContact O-N 3.43Å; L121-V140 HydrophobicContact CD2-CG1 4.11Å; L121-V140 HydrophobicContact CD2-CG2 4.33Å
122R92.7Very high89.8Confident95 Ų9563.6 Ų63.636%0.35834%0.338SS..  trans-78.8116.8178.3-60.9173.8-176.4176.8-3.5109.6C117 S119 L120 S124 G130 W131 D156C117-R122 PolarHBondContact SG-NH2 2.81Å; S119-R122 VanDerWaalsContact O-CB 3.26Å; S119-R122 WeakPolarHBondContact O-CB 3.3Å; S119-R122 VanDerWaalsContact O-CG 3.29Å; S119-R122 WeakPolarHBondContact O-CG 3.5Å; S119-R122 PolarHBondContact O-N 3.44Å; L120-R122 VanDerWaalsContact C-N 3.32Å; R122-S124 VanDerWaalsContact C-N 3.27Å; R122-S124 PolarHBondContact O-N 2.88Å; R122-G130 WeakPolarHBondContact O-CA 3.39Å; R122-W131 PolarHBondContact O-N 3.07Å; R122-D156 IonicContact NH2-OD2 3.64Å; R122-D156 PolarHBondContact NH2-OD2 3.35Å
123Q85.8Confident89.8Confident90 Ų9060.5 Ų60.542%0.42133%0.329SS..SBendtrans-54.8-38.4-178.1177.166.565.100114H94 T95 L121H94-Q123 PolarHBondContact O-NE2 3.3Å; T95-Q123 VanDerWaalsContact CA-OE1 3.25Å; T95-Q123 PolarHBondContact OG1-OE1 3.31Å; L121-Q123 PolarHBondContact O-N 3.43Å
124S76.3Confident89.6Confident112 Ų11262.7 Ų62.778%0.78334%0.335SS*.SBendtrans-138.4104.3-179.1-610000107.9R122R122-S124 VanDerWaalsContact C-N 3.27Å; R122-S124 PolarHBondContact O-N 2.88Å
125S71.6Confident89.4Confident31 Ų3164.1 Ų64.122%0.21734%0.339CS..  trans-108.9131177.466.80000110.4D127 S129 G130S125-D127 VanDerWaalsContact CB-OD1 3.26Å; S125-D127 WeakPolarHBondContact CB-OD1 3.32Å; S125-D127 PolarHBondContact O-N 2.86Å; S125-D127 PolarHBondContact OG-OD1 2.78Å; S125-S129 PolarHBondContact OG-N 3.23Å; S125-G130 WeakPolarHBondContact OG-CA 3.36Å; S125-G130 PolarHBondContact OG-N 3.3Å
126L75.5Confident89.3Confident179 Ų17962.2 Ų62.294%0.93733%0.332SS*.THydrogen-bonded Turntrans-66.6-23.9175.8-67.7170.8000113.1
127D82.1Confident89.3Confident92 Ų9261.2 Ų61.249%0.49233%0.326SS..THydrogen-bonded Turntrans-98.79.7-172.967.1-9.7000113.9S125 S129S125-D127 VanDerWaalsContact CB-OD1 3.26Å; S125-D127 WeakPolarHBondContact CB-OD1 3.32Å; S125-D127 PolarHBondContact O-N 2.86Å; S125-D127 PolarHBondContact OG-OD1 2.78Å; D127-S129 PolarHBondContact O-N 2.79Å; D127-S129 VanDerWaalsContact O-N 3.1Å; D127-S129 VanDerWaalsContact OD1-CB 3.29Å; D127-S129 WeakPolarHBondContact OD1-CB 3.3Å; D127-S129 PolarHBondContact OD1-N 3.27Å; D127-S129 PolarHBondContact OD1-OG 2.82Å; D127-S129 WeakPolarHBondContact OD2-CB 3.4Å; D127-S129 PolarHBondContact OD2-OG 3.11Å
128F79.7Confident89.4Confident184 Ų18460.2 Ų60.281%0.80732%0.318SS*.SBendtrans5913.1-175-49-84.4000114.9
129S86.7Confident89.5Confident27 Ų2760 Ų6019%0.18932%0.317CS..  trans-81.9-21.1177.872.10000113.3S119 S125 D127 R135S119-S129 WeakPolarHBondContact CB-OG 3.5Å; S125-S129 PolarHBondContact OG-N 3.23Å; D127-S129 PolarHBondContact O-N 2.79Å; D127-S129 VanDerWaalsContact O-N 3.1Å; D127-S129 VanDerWaalsContact OD1-CB 3.29Å; D127-S129 WeakPolarHBondContact OD1-CB 3.3Å; D127-S129 PolarHBondContact OD1-N 3.27Å; D127-S129 PolarHBondContact OD1-OG 2.82Å; D127-S129 WeakPolarHBondContact OD2-CB 3.4Å; D127-S129 PolarHBondContact OD2-OG 3.11Å; S129-R135 PolarHBondContact O-NH1 2.83Å
130G91.4Very high89.7Confident2 Ų258.4 Ų58.42%0.02131%0.306CS..SBendtrans-68.1-166.4-175.100000115.8S119 L120 R122 S125 R135S119-G130 WeakPolarHBondContact O-CA 3.35Å; L120-G130 CarbonylContact O-C 3.58Å; R122-G130 WeakPolarHBondContact O-CA 3.39Å; S125-G130 WeakPolarHBondContact OG-CA 3.36Å; S125-G130 PolarHBondContact OG-N 3.3Å; G130-R135 PolarHBondContact O-NH1 2.97Å; G130-R135 VanDerWaalsContact O-NH1 3.09Å
131W95.7Very high89.9Confident19 Ų1958.4 Ų58.47%0.07231%0.306CS..  trans-67.8135.5-179.3-172.6-105.7000110.7Y92 N93 P96 P97 L120 R122 R135 V140Y92-W131 HydrophobicContact CD2-CZ2 4.09Å; Y92-W131 AromaticContact CE2-CH2 3.7Å; Y92-W131 HydrophobicContact CE2-CH2 3.7Å; Y92-W131 AromaticContact CE2-CZ2 3.39Å; Y92-W131 HydrophobicContact CE2-CZ2 3.39Å; N93-W131 PolarHBondContact O-NE1 3.33Å; P96-W131 VanDerWaalsContact CA-CD2 3.47Å; P96-W131 HydrophobicContact CB-CB 3.86Å; P96-W131 HydrophobicContact CB-CD2 3.5Å; P96-W131 HydrophobicContact CB-CE3 3.67Å; P96-W131 HydrophobicContact CB-CG 3.56Å; P96-W131 HydrophobicContact CB-CZ3 4.47Å; P96-W131 HydrophobicContact CG-CB 3.98Å; P96-W131 HydrophobicContact CG-CD2 4.44Å; P96-W131 HydrophobicContact CG-CG 3.99Å; P97-W131 HydrophobicContact CG-CH2 4.39Å; L120-W131 HydrophobicContact CD1-CE3 4.35Å; L120-W131 HydrophobicContact CD1-CZ3 4.29Å; L120-W131 VanDerWaalsContact O-CA 3.32Å; L120-W131 WeakPolarHBondContact O-CA 3.48Å; L120-W131 WeakPolarHBondContact O-CB 3.25Å; L120-W131 PolarHBondContact O-N 3.07Å; R122-W131 PolarHBondContact O-N 3.07Å; W131-R135 HydrophobicContact CE3-CB 4.04Å; W131-R135 HydrophobicContact CH2-CB 3.91Å; W131-R135 WeakPolarHBondContact CH2-O 3.44Å; W131-R135 HydrophobicContact CZ2-CB 4.47Å; W131-R135 HydrophobicContact CZ3-CB 3.68Å; W131-V140 HydrophobicContact CZ3-CG2 3.93Å
132A93.4Very high90Very high30 Ų3057.6 Ų57.625%0.24830%0.301CS..  trans-137.3146.9170.600000107.8T134 R135A132-T134 PolarHBondContact O-N 3.44Å; A132-R135 HydrophobicContact CB-CG 4.44Å; A132-R135 WeakPolarHBondContact O-CB 3.41Å; A132-R135 PolarHBondContact O-N 3.12Å
133P93.2Very high90.2Very high61 Ų6153.1 Ų53.140%0.39628%0.284SS..THydrogen-bonded Turntrans-56.8-13.7176.5-27.836.1000114.8N93 R135N93-P133 PolarHBondContact ND2-O 2.97Å; N93-P133 WeakPolarHBondContact O-CA 3.47Å; P133-R135 VanDerWaalsContact C-N 3.33Å
134T92.7Very high90.8Very high117 Ų11748.8 Ų48.872%0.71826%0.264SS*.THydrogen-bonded Turntrans-79.7-12.1173.858.40000113.9A132A132-T134 PolarHBondContact O-N 3.44Å
135R94.3Very high91.7Very high35 Ų3544 Ų4413%0.13223%0.229CC..  trans-84.9141.7177.7-61.9-74.2176.767.87.8110S129 G130 W131 A132 P133 D139S129-R135 PolarHBondContact O-NH1 2.83Å; G130-R135 PolarHBondContact O-NH1 2.97Å; G130-R135 VanDerWaalsContact O-NH1 3.09Å; W131-R135 HydrophobicContact CE3-CB 4.04Å; W131-R135 HydrophobicContact CH2-CB 3.91Å; W131-R135 WeakPolarHBondContact CH2-O 3.44Å; W131-R135 HydrophobicContact CZ2-CB 4.47Å; W131-R135 HydrophobicContact CZ3-CB 3.68Å; A132-R135 HydrophobicContact CB-CG 4.44Å; A132-R135 WeakPolarHBondContact O-CB 3.41Å; A132-R135 PolarHBondContact O-N 3.12Å; P133-R135 VanDerWaalsContact C-N 3.33Å; R135-D139 WeakPolarHBondContact CA-OD2 3.27Å
136R95.8Very high92.9Very high109 Ų10942.5 Ų42.541%0.41122%0.219SC..  trans-115.7169.8-178.4-60.3-170.4-140.9175.89.6111.7E41 E44 L138 D139 V140E41-R136 HydrophobicContact CG-CB 4.33Å; E41-R136 HydrophobicContact CG-CG 4.41Å; E41-R136 VanDerWaalsContact OE2-CA 3.22Å; E41-R136 WeakPolarHBondContact OE2-CA 3.45Å; E41-R136 VanDerWaalsContact OE2-CB 3.31Å; E41-R136 WeakPolarHBondContact OE2-CB 3.46Å; E44-R136 IonicContact OE1-CZ 2.71Å; E44-R136 IonicContact OE1-NH1 2.84Å; E44-R136 PolarHBondContact OE1-NH1 3.23Å; E44-R136 VanDerWaalsContact OE2-CD 3.26Å; E44-R136 WeakPolarHBondContact OE2-CD 3.35Å; E44-R136 IonicContact OE2-CZ 2.92Å; E44-R136 IonicContact OE2-NE 3.62Å; E44-R136 IonicContact OE2-NH1 3.72Å; E44-R136 PolarHBondContact OE2-NH1 2.8Å; R136-L138 PolarHBondContact O-N 2.89Å; R136-D139 PolarHBondContact N-OD2 2.88Å; R136-D139 WeakPolarHBondContact O-CB 3.43Å; R136-D139 PolarHBondContact O-N 2.9Å; R136-V140 PolarHBondContact O-N 2.84Å
137L97.5Very high94Very high1 Ų134 Ų341%0.00518%0.175CC..Hα-helixtrans-55.9-32.7173.9-65.6178.5000112.5E41 L42 L45 F66 V88 P97 D139 V140 V141E41-L137 HydrophobicContact CB-CB 4.39Å; E41-L137 HydrophobicContact CB-CD1 4.08Å; E41-L137 HydrophobicContact CB-CG 4.28Å; E41-L137 WeakPolarHBondContact OE2-CG 3.33Å; E41-L137 PolarHBondContact OE2-N 3.3Å; L42-L137 HydrophobicContact CD2-CD1 4.29Å; L42-L137 HydrophobicContact CG-CD1 4.45Å; L45-L137 HydrophobicContact CD2-CB 4.17Å; F66-L137 HydrophobicContact CE1-CD1 4.1Å; F66-L137 HydrophobicContact CE1-CD2 4.44Å; F66-L137 HydrophobicContact CZ-CD1 4.26Å; F66-L137 HydrophobicContact CZ-CD2 4.32Å; V88-L137 HydrophobicContact CG2-CD1 4.45Å; V88-L137 HydrophobicContact CG2-CD2 3.83Å; P97-L137 HydrophobicContact CB-CD2 4.48Å; P97-L137 HydrophobicContact CG-CD2 3.71Å; L137-D139 VanDerWaalsContact C-N 3.33Å; L137-D139 PolarHBondContact O-N 2.88Å; L137-V140 WeakPolarHBondContact O-CB 3.19Å; L137-V140 PolarHBondContact O-N 2.83Å; L137-V141 WeakPolarHBondContact O-CG2 3.36Å; L137-V141 PolarHBondContact O-N 3.1Å
138L97Very high94.7Very high6 Ų630.2 Ų30.23%0.03115%0.154CC..Hα-helixtrans-60.8-40.5174.1-175.261.8000112.5E44 L45 N48 R136 V140 V141 W142E44-L138 HydrophobicContact CG-CD2 4.33Å; L45-L138 HydrophobicContact CD1-CB 4.43Å; L45-L138 HydrophobicContact CD1-CD1 3.7Å; N48-L138 HydrophobicContact CB-CD1 4.04Å; N48-L138 HydrophobicContact CB-CD2 3.8Å; R136-L138 PolarHBondContact O-N 2.89Å; L138-V140 VanDerWaalsContact C-N 3.3Å; L138-V140 PolarHBondContact O-N 3.4Å; L138-V141 PolarHBondContact O-N 3.39Å; L138-W142 HydrophobicContact CD1-CD2 4.25Å; L138-W142 HydrophobicContact CD1-CZ2 3.92Å; L138-W142 HydrophobicContact CD2-CH2 3.71Å; L138-W142 HydrophobicContact CD2-CZ2 3.67Å; L138-W142 HydrophobicContact CD2-CZ3 4.27Å; L138-W142 HydrophobicContact CG-CD2 4.05Å; L138-W142 HydrophobicContact CG-CE3 4.28Å; L138-W142 HydrophobicContact CG-CH2 4.05Å; L138-W142 HydrophobicContact CG-CZ2 3.79Å; L138-W142 HydrophobicContact CG-CZ3 4.29Å; L138-W142 PolarHBondContact O-N 3.44Å
139D96.3Very high95.4Very high5 Ų523.7 Ų23.73%0.02713%0.131CC..Hα-helixtrans-65.1-36.9176.5-58.4-40.6000111.5I8 R135 R136 L137 G143I8-D139 HydrophobicContact CD1-CB 3.73Å; I8-D139 HydrophobicContact CG1-CB 4.43Å; I8-D139 WeakPolarHBondContact CG2-OD1 3.44Å; R135-D139 WeakPolarHBondContact CA-OD2 3.27Å; R136-D139 PolarHBondContact N-OD2 2.88Å; R136-D139 WeakPolarHBondContact O-CB 3.43Å; R136-D139 PolarHBondContact O-N 2.9Å; L137-D139 VanDerWaalsContact C-N 3.33Å; L137-D139 PolarHBondContact O-N 2.88Å; D139-G143 PolarHBondContact O-N 2.84Å
140V97.6Very high95.6Very high1 Ų126.5 Ų26.51%0.00614%0.144CC..Hα-helixtrans-63.1-49.3175179.30000110I86 P97 V99 L120 L121 W131 R136 L137 L138 G143 I144I86-V140 HydrophobicContact CD1-CG1 4.44Å; P97-V140 HydrophobicContact CG-CG2 4.18Å; V99-V140 HydrophobicContact CG2-CG1 4.01Å; L120-V140 HydrophobicContact CD1-CB 4.23Å; L120-V140 HydrophobicContact CD1-CG2 3.66Å; L121-V140 HydrophobicContact CD2-CG1 4.11Å; L121-V140 HydrophobicContact CD2-CG2 4.33Å; W131-V140 HydrophobicContact CZ3-CG2 3.93Å; R136-V140 PolarHBondContact O-N 2.84Å; L137-V140 WeakPolarHBondContact O-CB 3.19Å; L137-V140 PolarHBondContact O-N 2.83Å; L138-V140 VanDerWaalsContact C-N 3.3Å; L138-V140 PolarHBondContact O-N 3.4Å; V140-G143 PolarHBondContact O-N 3.48Å; V140-I144 HydrophobicContact CG1-CD1 3.85Å; V140-I144 HydrophobicContact CG1-CG1 4.49Å; V140-I144 WeakPolarHBondContact O-CG1 3.44Å; V140-I144 PolarHBondContact O-N 2.95Å
141V97.8Very high95.7Very high1 Ų128.1 Ų28.11%0.00615%0.152CC..Hα-helixtrans-62.8-45.5-179.8171.50000111.5L45 I49 C53 L68 L137 L138 G143 I144 E145L45-V141 HydrophobicContact CD1-CB 3.92Å; L45-V141 HydrophobicContact CD1-CG1 4.19Å; L45-V141 HydrophobicContact CD1-CG2 3.69Å; L45-V141 HydrophobicContact CD2-CG2 4.03Å; I49-V141 HydrophobicContact CD1-CG1 4.24Å; I49-V141 HydrophobicContact CG1-CG1 4.26Å; C53-V141 HydrophobicContact CB-CG1 4.43Å; L68-V141 HydrophobicContact CD1-CG1 3.77Å; L68-V141 HydrophobicContact CD1-CG2 4.05Å; L68-V141 HydrophobicContact CD2-CB 4.41Å; L68-V141 HydrophobicContact CD2-CG1 4.15Å; L68-V141 HydrophobicContact CD2-CG2 4.08Å; L137-V141 WeakPolarHBondContact O-CG2 3.36Å; L137-V141 PolarHBondContact O-N 3.1Å; L138-V141 PolarHBondContact O-N 3.39Å; V141-G143 VanDerWaalsContact C-N 3.29Å; V141-G143 PolarHBondContact O-N 3.18Å; V141-I144 PolarHBondContact O-N 3.43Å; V141-E145 WeakPolarHBondContact O-CB 3.23Å; V141-E145 PolarHBondContact O-N 3.09Å
142W96.5Very high95.6Very high13 Ų1328.8 Ų28.85%0.04916%0.159CC..Hα-helixtrans-63.9-35.2174.8-72.4-15.7000112.8I8 R11 Q12 L138 S146I8-W142 HydrophobicContact CG1-CE3 4.27Å; I8-W142 HydrophobicContact CG2-CZ3 4.48Å; R11-W142 HydrophobicContact CB-CE3 4.34Å; R11-W142 HydrophobicContact CB-CH2 3.57Å; R11-W142 HydrophobicContact CB-CZ2 4.03Å; R11-W142 HydrophobicContact CB-CZ3 3.74Å; Q12-W142 HydrophobicContact CG-CZ3 4.27Å; L138-W142 HydrophobicContact CD1-CD2 4.25Å; L138-W142 HydrophobicContact CD1-CZ2 3.92Å; L138-W142 HydrophobicContact CD2-CH2 3.71Å; L138-W142 HydrophobicContact CD2-CZ2 3.67Å; L138-W142 HydrophobicContact CD2-CZ3 4.27Å; L138-W142 HydrophobicContact CG-CD2 4.05Å; L138-W142 HydrophobicContact CG-CE3 4.28Å; L138-W142 HydrophobicContact CG-CH2 4.05Å; L138-W142 HydrophobicContact CG-CZ2 3.79Å; L138-W142 HydrophobicContact CG-CZ3 4.29Å; L138-W142 PolarHBondContact O-N 3.44Å; W142-S146 VanDerWaalsContact O-CB 3.28Å; W142-S146 WeakPolarHBondContact O-CB 3.39Å; W142-S146 PolarHBondContact O-N 3.17Å; W142-S146 PolarHBondContact O-OG 3.41Å
143G96.8Very high95.6Very high0 Ų028.9 Ų28.90%016%0.155CC..Hα-helixtrans-62.7-47.2173.500000112.1D139 V140 V141 S146 L147D139-G143 PolarHBondContact O-N 2.84Å; V140-G143 PolarHBondContact O-N 3.48Å; V141-G143 VanDerWaalsContact C-N 3.29Å; V141-G143 PolarHBondContact O-N 3.18Å; G143-S146 PolarHBondContact O-N 2.82Å; G143-L147 PolarHBondContact O-N 2.87Å
144I98Very high95.7Very high0 Ų028.1 Ų28.10%015%0.146CC..Hα-helixtrans-64.4-46.4177.6-63.6163.6000110.9L68 V70 F84 I86 V99 L118 V140 V141 S146 L147L68-I144 HydrophobicContact CD2-CB 4.06Å; L68-I144 HydrophobicContact CD2-CD1 3.76Å; L68-I144 HydrophobicContact CD2-CG2 3.95Å; V70-I144 HydrophobicContact CG2-CG2 4.1Å; F84-I144 HydrophobicContact CD1-CG2 3.91Å; F84-I144 HydrophobicContact CD2-CG2 3.8Å; F84-I144 HydrophobicContact CE1-CG2 3.73Å; F84-I144 HydrophobicContact CE2-CG2 3.61Å; F84-I144 HydrophobicContact CG-CG2 3.94Å; F84-I144 HydrophobicContact CZ-CG2 3.58Å; I86-I144 HydrophobicContact CD1-CD1 3.85Å; V99-I144 HydrophobicContact CG1-CD1 3.68Å; V99-I144 HydrophobicContact CG1-CG1 4.35Å; V99-I144 HydrophobicContact CG2-CD1 4.26Å; L118-I144 HydrophobicContact CD2-CG1 3.94Å; V140-I144 HydrophobicContact CG1-CD1 3.85Å; V140-I144 HydrophobicContact CG1-CG1 4.49Å; V140-I144 WeakPolarHBondContact O-CG1 3.44Å; V140-I144 PolarHBondContact O-N 2.95Å; V141-I144 PolarHBondContact O-N 3.43Å; I144-S146 PolarHBondContact O-N 2.94Å; I144-L147 WeakPolarHBondContact O-CB 3.37Å; I144-L147 PolarHBondContact O-N 2.79Å; I144-L147 VanDerWaalsContact O-N 3.12Å
145E97.2Very high95.6Very high10 Ų1029.5 Ų29.55%0.04715%0.149CC..Hα-helixtrans-55-42174.7-177.5-171.6-152.800110.9R11 S50 V141 L147 F148R11-E145 IonicContact CZ-OE2 3.6Å; R11-E145 IonicContact NH1-OE2 3.85Å; R11-E145 PolarHBondContact NH1-OE2 3.25Å; R11-E145 IonicContact NH2-OE2 2.69Å; S50-E145 WeakPolarHBondContact CB-OE1 3.24Å; S50-E145 PolarHBondContact OG-OE1 3.14Å; V141-E145 WeakPolarHBondContact O-CB 3.23Å; V141-E145 PolarHBondContact O-N 3.09Å; E145-L147 VanDerWaalsContact C-N 3.26Å; E145-L147 PolarHBondContact O-N 3.28Å; E145-F148 PolarHBondContact O-N 3.36Å
146S96.4Very high95.4Very high0 Ų032.3 Ų32.30%017%0.166CC..Hα-helixtrans-72.4-15.1-177.7-57.90000114K7 W142 G143 I144 F148 S149 D150 L151K7-S146 WeakPolarHBondContact CD-OG 3.19Å; K7-S146 WeakPolarHBondContact CE-OG 3.37Å; K7-S146 PolarHBondContact NZ-OG 3.33Å; W142-S146 VanDerWaalsContact O-CB 3.28Å; W142-S146 WeakPolarHBondContact O-CB 3.39Å; W142-S146 PolarHBondContact O-N 3.17Å; W142-S146 PolarHBondContact O-OG 3.41Å; G143-S146 PolarHBondContact O-N 2.82Å; I144-S146 PolarHBondContact O-N 2.94Å; S146-F148 PolarHBondContact O-N 3.28Å; S146-S149 CarbonylContact O-C 3.57Å; S146-S149 PolarHBondContact O-N 3.37Å; S146-S149 VanDerWaalsContact O-N 3.07Å; S146-S149 PolarHBondContact O-OG 2.8Å; S146-D150 PolarHBondContact O-N 3.04Å; S146-L151 WeakPolarHBondContact O-CA 3.39Å; S146-L151 WeakPolarHBondContact O-CB 3.47Å; S146-L151 PolarHBondContact O-N 2.62Å
147L97Very high95.3Very high2 Ų228 Ų281%0.0115%0.154CC..Hα-helixtrans-61.4-31.1173.1-69.8174.9000111.6H107 N109 I110 V116 L118 G143 I144 E145 S149 L151 C152H107-L147 PolarHBondContact NE2-O 3.19Å; N109-L147 HydrophobicContact CB-CD2 4.1Å; I110-L147 HydrophobicContact CD1-CD1 4.48Å; I110-L147 HydrophobicContact CG1-CD1 4.49Å; V116-L147 HydrophobicContact CG1-CD1 3.47Å; V116-L147 VanDerWaalsContact CG1-CD1 3.47Å; L118-L147 HydrophobicContact CD1-CD2 4.03Å; L118-L147 HydrophobicContact CD1-CG 4.34Å; G143-L147 PolarHBondContact O-N 2.87Å; I144-L147 WeakPolarHBondContact O-CB 3.37Å; I144-L147 PolarHBondContact O-N 2.79Å; I144-L147 VanDerWaalsContact O-N 3.12Å; E145-L147 VanDerWaalsContact C-N 3.26Å; E145-L147 PolarHBondContact O-N 3.28Å; L147-S149 PolarHBondContact O-N 3.44Å; L147-L151 HydrophobicContact CD2-CB 4.14Å; L147-C152 VanDerWaalsContact O-CB 3.3Å; L147-C152 WeakPolarHBondContact O-CB 3.13Å; L147-C152 PolarHBondContact O-N 3.19Å
148F97.2Very high95.2Very high12 Ų1230.8 Ų30.85%0.05317%0.168CC..THydrogen-bonded Turntrans-79.60.8177.5-60-86.9000113.7V70 P72 W77 Y82 F84 I105 E145 S146V70-F148 HydrophobicContact CB-CE2 4.05Å; V70-F148 HydrophobicContact CG1-CD2 3.85Å; V70-F148 HydrophobicContact CG1-CE2 3.75Å; V70-F148 HydrophobicContact CG2-CE2 4.47Å; P72-F148 HydrophobicContact CB-CB 4.22Å; P72-F148 HydrophobicContact CG-CB 3.78Å; P72-F148 HydrophobicContact CG-CD1 3.57Å; P72-F148 HydrophobicContact CG-CD2 4.15Å; P72-F148 HydrophobicContact CG-CE1 4.13Å; P72-F148 HydrophobicContact CG-CG 3.56Å; W77-F148 HydrophobicContact CB-CD1 3.71Å; W77-F148 HydrophobicContact CB-CE1 4.21Å; W77-F148 HydrophobicContact CD2-CD1 4.05Å; W77-F148 HydrophobicContact CE3-CB 4.33Å; W77-F148 HydrophobicContact CE3-CD1 4.06Å; W77-F148 AromaticContact CG-CD1 3.92Å; W77-F148 HydrophobicContact CG-CD1 3.92Å; W77-F148 HydrophobicContact CG-CE1 4.32Å; Y82-F148 HydrophobicContact CD1-CE1 4.15Å; Y82-F148 HydrophobicContact CD1-CZ 4.33Å; Y82-F148 HydrophobicContact CD2-CD1 4.27Å; Y82-F148 AromaticContact CD2-CE1 3.37Å; Y82-F148 HydrophobicContact CD2-CE1 3.37Å; Y82-F148 AromaticContact CD2-CZ 3.56Å; Y82-F148 HydrophobicContact CD2-CZ 3.56Å; Y82-F148 HydrophobicContact CE1-CE1 4.35Å; Y82-F148 HydrophobicContact CE2-CD1 4.23Å; Y82-F148 AromaticContact CE2-CE1 3.61Å; Y82-F148 HydrophobicContact CE2-CE1 3.61Å; Y82-F148 HydrophobicContact CE2-CZ 4.27Å; Y82-F148 AromaticContact CG-CE1 3.67Å; Y82-F148 HydrophobicContact CG-CE1 3.67Å; Y82-F148 AromaticContact CG-CZ 3.59Å; Y82-F148 HydrophobicContact CG-CZ 3.59Å; F84-F148 AromaticContact CE2-CE2 3.95Å; F84-F148 HydrophobicContact CE2-CE2 3.95Å; F84-F148 AromaticContact CE2-CZ 3.96Å; F84-F148 HydrophobicContact CE2-CZ 3.96Å; F84-F148 AromaticContact CZ-CE2 3.85Å; F84-F148 HydrophobicContact CZ-CE2 3.85Å; F84-F148 AromaticContact CZ-CZ 3.77Å; F84-F148 HydrophobicContact CZ-CZ 3.77Å; I105-F148 HydrophobicContact CD1-CD1 4.46Å; I105-F148 HydrophobicContact CD1-CE1 3.59Å; I105-F148 HydrophobicContact CD1-CZ 4.28Å; E145-F148 PolarHBondContact O-N 3.36Å; S146-F148 PolarHBondContact O-N 3.28Å
149S94Very high95.2Very high47 Ų4731 Ų3133%0.32917%0.17SC..THydrogen-bonded Turntrans-142.6-109.5-178.453.80000110.7S146 L147 L151 C152S146-S149 CarbonylContact O-C 3.57Å; S146-S149 PolarHBondContact O-N 3.37Å; S146-S149 VanDerWaalsContact O-N 3.07Å; S146-S149 PolarHBondContact O-OG 2.8Å; L147-S149 PolarHBondContact O-N 3.44Å; S149-L151 VanDerWaalsContact C-N 3.28Å; S149-L151 PolarHBondContact O-N 2.65Å; S149-C152 VanDerWaalsContact O-CB 3.32Å; S149-C152 WeakPolarHBondContact O-CB 3.46Å; S149-C152 PolarHBondContact O-N 2.88Å; S149-C152 VanDerWaalsContact O-N 3.11Å
150D91.3Very high95.3Very high86 Ų8634.6 Ų34.646%0.4619%0.192SC..THydrogen-bonded Turntrans-65.3-23.8-167.9-57.1-51.8000115.1K7 S146K7-D150 WeakPolarHBondContact CE-OD2 3.26Å; K7-D150 IonicContact NZ-OD2 3.43Å; K7-D150 PolarHBondContact NZ-OD2 2.98Å; S146-D150 PolarHBondContact O-N 3.04Å
151L93.9Very high95.3Very high36 Ų3638.4 Ų38.419%0.18822%0.215CC..THydrogen-bonded Turntrans-99.15.3179.5-60.9-175.6000113.2L4 N109 L118 S146 L147 S149 D153L4-L151 HydrophobicContact CB-CD1 4.01Å; L4-L151 HydrophobicContact CB-CD2 4.33Å; L4-L151 HydrophobicContact CD1-CD1 4.06Å; L4-L151 HydrophobicContact CD2-CD1 4.29Å; L4-L151 HydrophobicContact CG-CD1 4.32Å; N109-L151 PolarHBondContact OD1-O 3.11Å; L118-L151 HydrophobicContact CD1-CD1 3.85Å; S146-L151 WeakPolarHBondContact O-CA 3.39Å; S146-L151 WeakPolarHBondContact O-CB 3.47Å; S146-L151 PolarHBondContact O-N 2.62Å; L147-L151 HydrophobicContact CD2-CB 4.14Å; S149-L151 VanDerWaalsContact C-N 3.28Å; S149-L151 PolarHBondContact O-N 2.65Å; L151-D153 PolarHBondContact O-N 3.47Å; L151-D153 VanDerWaalsContact O-N 3.1Å
152C94.3Very high95.3Very high32 Ų3238.3 Ų38.322%0.21622%0.215CC..  trans-66.6107.5168.1-1780000109W77 P108 N109 L147 S149 F154W77-C152 VanDerWaalsContact CH2-SG 3.58Å; W77-C152 HydrophobicContact CZ3-CB 4.42Å; P108-C152 VanDerWaalsContact CG-SG 3.52Å; N109-C152 WeakPolarHBondContact OD1-CA 3.31Å; L147-C152 VanDerWaalsContact O-CB 3.3Å; L147-C152 WeakPolarHBondContact O-CB 3.13Å; L147-C152 PolarHBondContact O-N 3.19Å; S149-C152 VanDerWaalsContact O-CB 3.32Å; S149-C152 WeakPolarHBondContact O-CB 3.46Å; S149-C152 PolarHBondContact O-N 2.88Å; S149-C152 VanDerWaalsContact O-N 3.11Å; C152-F154 VanDerWaalsContact SG-CE2 3.57Å
153D93.1Very high95.3Very high32 Ų3238.3 Ų38.317%0.17122%0.217CC..  trans-122124-179.4-173.517.4000111.5P108 N109 L151 N155 D156P108-D153 WeakPolarHBondContact CB-O 3.17Å; N109-D153 PolarHBondContact ND2-O 3.19Å; N109-D153 PolarHBondContact OD1-N 3.19Å; N109-D153 PolarHBondContact OD1-O 2.69Å; L151-D153 PolarHBondContact O-N 3.47Å; L151-D153 VanDerWaalsContact O-N 3.1Å; D153-N155 WeakPolarHBondContact OD1-CB 3.22Å; D153-N155 PolarHBondContact OD1-N 2.8Å; D153-N155 PolarHBondContact OD1-ND2 3.04Å; D153-D156 PolarHBondContact OD2-N 3.3Å
154F94.6Very high95.4Very high46 Ų4644.3 Ų44.320%0.20225%0.245CC..SBendtrans-91.4-11.9176.9-67.6-87.4000112.9P108 C152 A163 Y166 F173P108-F154 HydrophobicContact CB-CD1 3.63Å; P108-F154 HydrophobicContact CB-CE1 3.86Å; P108-F154 HydrophobicContact CB-CG 4.17Å; P108-F154 HydrophobicContact CG-CD1 3.77Å; P108-F154 HydrophobicContact CG-CD2 4.33Å; P108-F154 HydrophobicContact CG-CE1 3.62Å; P108-F154 HydrophobicContact CG-CE2 4.18Å; P108-F154 HydrophobicContact CG-CG 4.15Å; P108-F154 HydrophobicContact CG-CZ 3.84Å; C152-F154 VanDerWaalsContact SG-CE2 3.57Å; F154-A163 HydrophobicContact CB-CB 4.48Å; F154-A163 HydrophobicContact CD1-CB 4.25Å; F154-Y166 HydrophobicContact CB-CD1 4.31Å; F154-Y166 AromaticContact CD1-CD1 3.71Å; F154-Y166 HydrophobicContact CD1-CD1 3.71Å; F154-Y166 AromaticContact CD1-CG 3.71Å; F154-Y166 HydrophobicContact CD1-CG 3.71Å; F154-Y166 AromaticContact CD2-CD1 3.99Å; F154-Y166 HydrophobicContact CD2-CD1 3.99Å; F154-Y166 AromaticContact CD2-CE1 4Å; F154-Y166 HydrophobicContact CD2-CE1 4Å; F154-Y166 HydrophobicContact CD2-CG 4.47Å; F154-Y166 VanDerWaalsContact CE1-CB 3.48Å; F154-Y166 AromaticContact CE1-CD1 3.9Å; F154-Y166 HydrophobicContact CE1-CD1 3.9Å; F154-Y166 AromaticContact CE1-CD2 3.89Å; F154-Y166 HydrophobicContact CE1-CD2 3.89Å; F154-Y166 AromaticContact CE1-CG 3.47Å; F154-Y166 HydrophobicContact CE1-CG 3.47Å; F154-Y166 VanDerWaalsContact CE1-CG 3.47Å; F154-Y166 HydrophobicContact CE2-CD1 4.18Å; F154-Y166 HydrophobicContact CE2-CD2 4.35Å; F154-Y166 HydrophobicContact CE2-CE1 4.13Å; F154-Y166 HydrophobicContact CE2-CE2 4.3Å; F154-Y166 HydrophobicContact CE2-CG 4.28Å; F154-Y166 AromaticContact CG-CD1 3.73Å; F154-Y166 HydrophobicContact CG-CD1 3.73Å; F154-Y166 HydrophobicContact CG-CE1 4.19Å; F154-Y166 HydrophobicContact CG-CG 4.19Å; F154-Y166 HydrophobicContact CZ-CD1 4.13Å; F154-Y166 AromaticContact CZ-CD2 3.79Å; F154-Y166 HydrophobicContact CZ-CD2 3.79Å; F154-Y166 HydrophobicContact CZ-CE1 4.44Å; F154-Y166 HydrophobicContact CZ-CE2 4.11Å; F154-Y166 AromaticContact CZ-CG 3.78Å; F154-Y166 HydrophobicContact CZ-CG 3.78Å; F154-F173 HydrophobicContact CE1-CD2 4.39Å; F154-F173 HydrophobicContact CE1-CE1 4.11Å; F154-F173 AromaticContact CE1-CE2 3.79Å; F154-F173 HydrophobicContact CE1-CE2 3.79Å; F154-F173 AromaticContact CE1-CZ 3.63Å; F154-F173 HydrophobicContact CE1-CZ 3.63Å; F154-F173 AromaticContact CZ-CE1 3.81Å; F154-F173 HydrophobicContact CZ-CE1 3.81Å; F154-F173 HydrophobicContact CZ-CE2 4.3Å; F154-F173 AromaticContact CZ-CZ 3.66Å; F154-F173 HydrophobicContact CZ-CZ 3.66Å
155N91.8Very high95.4Very high145 Ų14545.6 Ų45.678%0.77525%0.252SS*.THydrogen-bonded Turntrans-83.1-39.9-176.9-56.2-70.4000112.8D153D153-N155 WeakPolarHBondContact OD1-CB 3.22Å; D153-N155 PolarHBondContact OD1-N 2.8Å; D153-N155 PolarHBondContact OD1-ND2 3.04Å
156D88.7Confident95.4Very high95 Ų9549.7 Ų49.751%0.50827%0.267SS..THydrogen-bonded Turntrans-111.653.2173.4-168.328.9000110.3R122 D153R122-D156 IonicContact NH2-OD2 3.64Å; R122-D156 PolarHBondContact NH2-OD2 3.35Å; D153-D156 PolarHBondContact OD2-N 3.3Å
157A94.1Very high95.4Very high18 Ų1856.9 Ų56.915%0.14931%0.305CS..  trans-75.2134.5-174.600000112.2P108 A163P108-A157 HydrophobicContact CB-CB 3.92Å; P108-A157 CarbonylContact O-C 3.58Å; P108-A157 WeakPolarHBondContact O-CA 3.32Å; P108-A157 WeakPolarHBondContact O-CB 3.44Å; A157-A163 HydrophobicContact CB-CB 3.48Å; A157-A163 VanDerWaalsContact CB-CB 3.48Å
158L96.1Very high95.4Very high59 Ų5966.4 Ų66.431%0.30934%0.341SS..SBendtrans-74.9-38.2170.7-175.165.5000111.3P108 D111 R115 C117 T160P108-L158 PolarHBondContact O-N 3.27Å; D111-L158 HydrophobicContact CB-CD2 4.19Å; D111-L158 HydrophobicContact CB-CG 4.19Å; R115-L158 HydrophobicContact CB-CD2 3.87Å; R115-L158 WeakPolarHBondContact O-CD2 3.48Å; C117-L158 HydrophobicContact CB-CB 3.79Å; C117-L158 HydrophobicContact CB-CD2 4.09Å; C117-L158 HydrophobicContact CB-CG 4.4Å; L158-T160 PolarHBondContact O-N 3.42Å
159N97.3Very high95.4Very high11 Ų1169 Ų696%0.05936%0.355CS..SBendtrans-93.987.5171.6-173.7-16000108.5H107 P108 T161 A162 A163H107-N159 VanDerWaalsContact O-CB 3.26Å; H107-N159 WeakPolarHBondContact O-CB 3.45Å; P108-N159 PolarHBondContact O-N 3.01Å; N159-T161 VanDerWaalsContact C-N 3.26Å; N159-T161 PolarHBondContact O-N 3.2Å; N159-T161 PolarHBondContact OD1-N 2.94Å; N159-A162 HydrophobicContact CB-CB 3.98Å; N159-A162 VanDerWaalsContact CG-CB 3.42Å; N159-A162 PolarHBondContact O-N 3.34Å; N159-A162 PolarHBondContact OD1-N 3.4Å; N159-A163 PolarHBondContact O-N 2.71Å
160T97.1Very high95.6Very high80 Ų8070.1 Ų70.149%0.49136%0.361SS..Hα-helixtrans-62.1-34.9-179.156.90000111.7L158 A162 A163 E164L158-T160 PolarHBondContact O-N 3.42Å; T160-A162 PolarHBondContact O-N 3.43Å; T160-A163 PolarHBondContact O-N 2.92Å; T160-E164 WeakPolarHBondContact O-CB 3.43Å; T160-E164 VanDerWaalsContact O-CG 3.29Å; T160-E164 WeakPolarHBondContact O-CG 3.32Å; T160-E164 PolarHBondContact O-N 3.47Å
161T97.6Very high95.9Very high81 Ų8173 Ų7350%0.49737%0.372SS..Hα-helixtrans-61.9-43.8177-48.20000112.1W106 N159 A163 Q165W106-T161 HydrophobicContact CH2-CG2 3.75Å; W106-T161 HydrophobicContact CZ2-CG2 4.16Å; N159-T161 VanDerWaalsContact C-N 3.26Å; N159-T161 PolarHBondContact O-N 3.2Å; N159-T161 PolarHBondContact OD1-N 2.94Å; T161-A163 VanDerWaalsContact C-N 3.32Å; T161-A163 PolarHBondContact O-N 3.27Å; T161-Q165 WeakPolarHBondContact O-CB 3.4Å; T161-Q165 PolarHBondContact O-N 3.49Å
162A97.9Very high96.1Very high0 Ų072.5 Ų72.50%037%0.373CS..Hα-helixtrans-63-40175.300000111.6W106 N159 T160 Y166 F173W106-A162 HydrophobicContact CD2-CB 4.16Å; W106-A162 HydrophobicContact CH2-CB 4.49Å; W106-A162 HydrophobicContact CZ2-CB 3.9Å; N159-A162 HydrophobicContact CB-CB 3.98Å; N159-A162 VanDerWaalsContact CG-CB 3.42Å; N159-A162 PolarHBondContact O-N 3.34Å; N159-A162 PolarHBondContact OD1-N 3.4Å; T160-A162 PolarHBondContact O-N 3.43Å; A162-Y166 PolarHBondContact O-N 3.48Å; A162-F173 HydrophobicContact CB-CE2 4.16Å; A162-F173 WeakPolarHBondContact O-CD2 3.41Å
163A97.5Very high96.3Very high12 Ų1271 Ų7110%0.09936%0.363CS..Hα-helixtrans-70.6-41.9177.900000114F154 A157 N159 T160 T161 Q165 Y166 L167F154-A163 HydrophobicContact CB-CB 4.48Å; F154-A163 HydrophobicContact CD1-CB 4.25Å; A157-A163 HydrophobicContact CB-CB 3.48Å; A157-A163 VanDerWaalsContact CB-CB 3.48Å; N159-A163 PolarHBondContact O-N 2.71Å; T160-A163 PolarHBondContact O-N 2.92Å; T161-A163 VanDerWaalsContact C-N 3.32Å; T161-A163 PolarHBondContact O-N 3.27Å; A163-Q165 VanDerWaalsContact C-N 3.31Å; A163-Q165 PolarHBondContact O-N 3.03Å; A163-Y166 PolarHBondContact O-N 3.01Å; A163-L167 WeakPolarHBondContact O-CB 3.24Å; A163-L167 PolarHBondContact O-N 3.4Å
164E97.6Very high96.5Very high126 Ų12673.2 Ų73.259%0.58937%0.372SS*.Hα-helixtrans-62.1-39.7173.8-74.2170.3-169.800111.4T160 L167 R168T160-E164 WeakPolarHBondContact O-CB 3.43Å; T160-E164 VanDerWaalsContact O-CG 3.29Å; T160-E164 WeakPolarHBondContact O-CG 3.32Å; T160-E164 PolarHBondContact O-N 3.47Å; E164-L167 PolarHBondContact O-N 2.99Å; E164-R168 VanDerWaalsContact O-CB 3.31Å; E164-R168 WeakPolarHBondContact O-CB 3.48Å; E164-R168 PolarHBondContact O-N 2.81Å
165Q98.1Very high96.6Very high28 Ų2875.7 Ų75.713%0.13139%0.387CS..Hα-helixtrans-62.5-48.1174-172.7-177.62200111.1W106 T161 A163 L167 R168 D169 A172 F173 T176W106-Q165 VanDerWaalsContact CE2-OE1 3.29Å; T161-Q165 WeakPolarHBondContact O-CB 3.4Å; T161-Q165 PolarHBondContact O-N 3.49Å; A163-Q165 VanDerWaalsContact C-N 3.31Å; A163-Q165 PolarHBondContact O-N 3.03Å; Q165-L167 VanDerWaalsContact C-N 3.3Å; Q165-L167 PolarHBondContact O-N 2.97Å; Q165-R168 PolarHBondContact O-N 3.19Å; Q165-D169 CarbonylContact O-C 3.37Å; Q165-D169 PolarHBondContact O-N 3.04Å; Q165-D169 VanDerWaalsContact O-O 3.13Å; Q165-A172 PolarHBondContact NE2-O 3.09Å; Q165-F173 HydrophobicContact CG-CB 4.17Å; Q165-T176 PolarHBondContact NE2-OG1 3.19Å
166Y97.4Very high97Very high95 Ų9570.6 Ų70.637%0.37336%0.362SS..Hα-helixtrans-59.6-41.2178-178.5-100000112.2F154 A162 A163 P170 F173F154-Y166 HydrophobicContact CB-CD1 4.31Å; F154-Y166 AromaticContact CD1-CD1 3.71Å; F154-Y166 HydrophobicContact CD1-CD1 3.71Å; F154-Y166 AromaticContact CD1-CG 3.71Å; F154-Y166 HydrophobicContact CD1-CG 3.71Å; F154-Y166 AromaticContact CD2-CD1 3.99Å; F154-Y166 HydrophobicContact CD2-CD1 3.99Å; F154-Y166 AromaticContact CD2-CE1 4Å; F154-Y166 HydrophobicContact CD2-CE1 4Å; F154-Y166 HydrophobicContact CD2-CG 4.47Å; F154-Y166 VanDerWaalsContact CE1-CB 3.48Å; F154-Y166 AromaticContact CE1-CD1 3.9Å; F154-Y166 HydrophobicContact CE1-CD1 3.9Å; F154-Y166 AromaticContact CE1-CD2 3.89Å; F154-Y166 HydrophobicContact CE1-CD2 3.89Å; F154-Y166 AromaticContact CE1-CG 3.47Å; F154-Y166 HydrophobicContact CE1-CG 3.47Å; F154-Y166 VanDerWaalsContact CE1-CG 3.47Å; F154-Y166 HydrophobicContact CE2-CD1 4.18Å; F154-Y166 HydrophobicContact CE2-CD2 4.35Å; F154-Y166 HydrophobicContact CE2-CE1 4.13Å; F154-Y166 HydrophobicContact CE2-CE2 4.3Å; F154-Y166 HydrophobicContact CE2-CG 4.28Å; F154-Y166 AromaticContact CG-CD1 3.73Å; F154-Y166 HydrophobicContact CG-CD1 3.73Å; F154-Y166 HydrophobicContact CG-CE1 4.19Å; F154-Y166 HydrophobicContact CG-CG 4.19Å; F154-Y166 HydrophobicContact CZ-CD1 4.13Å; F154-Y166 AromaticContact CZ-CD2 3.79Å; F154-Y166 HydrophobicContact CZ-CD2 3.79Å; F154-Y166 HydrophobicContact CZ-CE1 4.44Å; F154-Y166 HydrophobicContact CZ-CE2 4.11Å; F154-Y166 AromaticContact CZ-CG 3.78Å; F154-Y166 HydrophobicContact CZ-CG 3.78Å; A162-Y166 PolarHBondContact O-N 3.48Å; A163-Y166 PolarHBondContact O-N 3.01Å; Y166-P170 HydrophobicContact CD2-CB 4.29Å; Y166-P170 HydrophobicContact CE2-CB 4.14Å; Y166-P170 WeakPolarHBondContact O-CD 3.49Å; Y166-P170 WeakPolarHBondContact O-CG 3.38Å; Y166-F173 HydrophobicContact CD2-CB 4.19Å; Y166-F173 AromaticContact CD2-CD1 3.61Å; Y166-F173 HydrophobicContact CD2-CD1 3.61Å; Y166-F173 HydrophobicContact CD2-CE1 4.14Å; Y166-F173 AromaticContact CD2-CG 3.87Å; Y166-F173 HydrophobicContact CD2-CG 3.87Å; Y166-F173 HydrophobicContact CE2-CD1 4.39Å; Y166-F173 HydrophobicContact CG-CD1 4.49Å; Y166-F173 HydrophobicContact CG-CG 4.4Å
167L96.6Very high97.4Very high152 Ų15266.1 Ų66.180%0.79634%0.338SS*.Hα-helixtrans-66.3-37.6177.9-177.262.3000112.5A163 E164 Q165A163-L167 WeakPolarHBondContact O-CB 3.24Å; A163-L167 PolarHBondContact O-N 3.4Å; E164-L167 PolarHBondContact O-N 2.99Å; Q165-L167 VanDerWaalsContact C-N 3.3Å; Q165-L167 PolarHBondContact O-N 2.97Å
168R97.6Very high97.6Very high202 Ų20268.7 Ų68.776%0.76234%0.344SS*.Hα-helixtrans-79.2-43.7-178.5-177.4175.464.1119.21.8112.8E164 Q165E164-R168 VanDerWaalsContact O-CB 3.31Å; E164-R168 WeakPolarHBondContact O-CB 3.48Å; E164-R168 PolarHBondContact O-N 2.81Å; Q165-R168 PolarHBondContact O-N 3.19Å
169D97.7Very high97.7Very high65 Ų6567.9 Ų67.935%0.34834%0.343SS..  trans-154.591.9-173.9-172.1-18.5000110.3Q165 E171 A172 F173Q165-D169 CarbonylContact O-C 3.37Å; Q165-D169 PolarHBondContact O-N 3.04Å; Q165-D169 VanDerWaalsContact O-O 3.13Å; D169-E171 PolarHBondContact O-N 3.38Å; D169-E171 PolarHBondContact OD1-N 3.02Å; D169-E171 VanDerWaalsContact OD1-N 3.14Å; D169-A172 HydrophobicContact CB-CB 3.87Å; D169-A172 PolarHBondContact O-N 3.42Å; D169-A172 PolarHBondContact OD1-N 3.47Å; D169-A172 WeakPolarHBondContact OD2-CB 3.29Å; D169-F173 PolarHBondContact O-N 3.28Å
170P96.9Very high97.7Very high71 Ų7169.4 Ų69.446%0.46135%0.348SS..Hα-helixtrans-59.7-31.2178.5-24.232.1000114.1Y166 H174Y166-P170 HydrophobicContact CD2-CB 4.29Å; Y166-P170 HydrophobicContact CE2-CB 4.14Å; Y166-P170 WeakPolarHBondContact O-CD 3.49Å; Y166-P170 WeakPolarHBondContact O-CG 3.38Å; P170-H174 PolarHBondContact O-N 3.41Å
171E97.7Very high97.8Very high146 Ų14665.7 Ų65.768%0.68233%0.326SS*.Hα-helixtrans-71.7-46.2179.6-172.9173.4-167.600110D169 F173 H174 D175D169-E171 PolarHBondContact O-N 3.38Å; D169-E171 PolarHBondContact OD1-N 3.02Å; D169-E171 VanDerWaalsContact OD1-N 3.14Å; E171-F173 VanDerWaalsContact C-N 3.29Å; E171-F173 PolarHBondContact O-N 3.42Å; E171-H174 WeakPolarHBondContact O-CB 3.36Å; E171-H174 PolarHBondContact O-N 2.9Å; E171-H174 VanDerWaalsContact O-N 3.08Å; E171-D175 PolarHBondContact O-N 3.49Å
172A97.9Very high97.8Very high26 Ų2668.4 Ų68.422%0.21533%0.331CS..Hα-helixtrans-62-3617400000112.6Q165 D169 T176Q165-A172 PolarHBondContact NE2-O 3.09Å; D169-A172 HydrophobicContact CB-CB 3.87Å; D169-A172 PolarHBondContact O-N 3.42Å; D169-A172 PolarHBondContact OD1-N 3.47Å; D169-A172 WeakPolarHBondContact OD2-CB 3.29Å; A172-T176 WeakPolarHBondContact O-CB 3.31Å; A172-T176 PolarHBondContact O-N 3.47Å; A172-T176 PolarHBondContact O-OG1 2.94Å
173F98.3Very high97.8Very high0 Ų076.6 Ų76.60%036%0.362CS..Hα-helixtrans-60.4-47.7171.7171.1-91.3000111.2I76 W77 W106 F154 A162 Q165 Y166 D169 E171 D175 T176 A177I76-F173 HydrophobicContact CD1-CD1 4.24Å; I76-F173 HydrophobicContact CD1-CE1 3.72Å; W77-F173 HydrophobicContact CZ2-CZ 4.2Å; W106-F173 AromaticContact CD1-CD2 3.69Å; W106-F173 AromaticContact CD1-CE2 3.55Å; W106-F173 AromaticContact NE1-CD2 3.55Å; W106-F173 AromaticContact NE1-CE2 3.74Å; F154-F173 HydrophobicContact CE1-CD2 4.39Å; F154-F173 HydrophobicContact CE1-CE1 4.11Å; F154-F173 AromaticContact CE1-CE2 3.79Å; F154-F173 HydrophobicContact CE1-CE2 3.79Å; F154-F173 AromaticContact CE1-CZ 3.63Å; F154-F173 HydrophobicContact CE1-CZ 3.63Å; F154-F173 AromaticContact CZ-CE1 3.81Å; F154-F173 HydrophobicContact CZ-CE1 3.81Å; F154-F173 HydrophobicContact CZ-CE2 4.3Å; F154-F173 AromaticContact CZ-CZ 3.66Å; F154-F173 HydrophobicContact CZ-CZ 3.66Å; A162-F173 HydrophobicContact CB-CE2 4.16Å; A162-F173 WeakPolarHBondContact O-CD2 3.41Å; Q165-F173 HydrophobicContact CG-CB 4.17Å; Y166-F173 HydrophobicContact CD2-CB 4.19Å; Y166-F173 AromaticContact CD2-CD1 3.61Å; Y166-F173 HydrophobicContact CD2-CD1 3.61Å; Y166-F173 HydrophobicContact CD2-CE1 4.14Å; Y166-F173 AromaticContact CD2-CG 3.87Å; Y166-F173 HydrophobicContact CD2-CG 3.87Å; Y166-F173 HydrophobicContact CE2-CD1 4.39Å; Y166-F173 HydrophobicContact CG-CD1 4.49Å; Y166-F173 HydrophobicContact CG-CG 4.4Å; D169-F173 PolarHBondContact O-N 3.28Å; E171-F173 VanDerWaalsContact C-N 3.29Å; E171-F173 PolarHBondContact O-N 3.42Å; F173-D175 PolarHBondContact O-N 2.96Å; F173-T176 PolarHBondContact O-N 2.88Å; F173-A177 WeakPolarHBondContact O-CB 3.31Å; F173-A177 PolarHBondContact O-N 3.45Å
174H97.7Very high97.8Very high80 Ų8079.9 Ų79.937%0.3737%0.374SS..Hα-helixtrans-58.6-47.5178.4179.8-85.9000111.4P170 E171 T176 A177 R178P170-H174 PolarHBondContact O-N 3.41Å; E171-H174 WeakPolarHBondContact O-CB 3.36Å; E171-H174 PolarHBondContact O-N 2.9Å; E171-H174 VanDerWaalsContact O-N 3.08Å; H174-T176 VanDerWaalsContact C-N 3.33Å; H174-T176 PolarHBondContact O-N 3.22Å; H174-A177 PolarHBondContact O-N 3.3Å; H174-R178 WeakPolarHBondContact O-CG 3.27Å; H174-R178 PolarHBondContact O-N 3.48Å
175D98.1Very high97.7Very high97 Ų9774 Ų7452%0.51935%0.347SS..Hα-helixtrans-62.1-40.8178.3-74.2-11.8000112.5E171 F173 R178 S179E171-D175 PolarHBondContact O-N 3.49Å; F173-D175 PolarHBondContact O-N 2.96Å; D175-R178 PolarHBondContact O-N 2.94Å; D175-S179 VanDerWaalsContact O-CB 3.31Å; D175-S179 WeakPolarHBondContact O-CB 3.39Å; D175-S179 PolarHBondContact O-N 3.31Å
176T98.2Very high97.3Very high39 Ų3982.2 Ų82.224%0.23938%0.377CS..Hα-helixtrans-63.6-47.8176.4-55.50000110.5W106 Q165 A172 F173 H174 R178 S179 Y180W106-T176 HydrophobicContact CD2-CG2 3.97Å; W106-T176 HydrophobicContact CG-CG2 3.85Å; Q165-T176 PolarHBondContact NE2-OG1 3.19Å; A172-T176 WeakPolarHBondContact O-CB 3.31Å; A172-T176 PolarHBondContact O-N 3.47Å; A172-T176 PolarHBondContact O-OG1 2.94Å; F173-T176 PolarHBondContact O-N 2.88Å; H174-T176 VanDerWaalsContact C-N 3.33Å; H174-T176 PolarHBondContact O-N 3.22Å; T176-R178 PolarHBondContact O-N 2.98Å; T176-S179 WeakPolarHBondContact O-CB 3.44Å; T176-S179 PolarHBondContact O-N 3.03Å; T176-Y180 HydrophobicContact CG2-CD2 4.23Å; T176-Y180 HydrophobicContact CG2-CE2 4.06Å; T176-Y180 VanDerWaalsContact O-CD2 3.32Å; T176-Y180 WeakPolarHBondContact O-CD2 3.49Å; T176-Y180 PolarHBondContact O-N 2.9Å
177A98Very high97.3Very high1 Ų181.6 Ų81.61%0.00838%0.377CS..Hα-helixtrans-62-43.8177.900000112.4I76 W106 F173 H174 S179 Y180 V181I76-A177 HydrophobicContact CG2-CB 3.46Å; I76-A177 VanDerWaalsContact CG2-CB 3.46Å; W106-A177 HydrophobicContact CB-CB 4.29Å; F173-A177 WeakPolarHBondContact O-CB 3.31Å; F173-A177 PolarHBondContact O-N 3.45Å; H174-A177 PolarHBondContact O-N 3.3Å; A177-S179 VanDerWaalsContact C-N 3.33Å; A177-S179 PolarHBondContact O-N 3.08Å; A177-Y180 WeakPolarHBondContact O-CB 3.49Å; A177-Y180 PolarHBondContact O-N 3.26Å; A177-V181 VanDerWaalsContact O-CG2 3.24Å; A177-V181 WeakPolarHBondContact O-CG2 3.41Å; A177-V181 PolarHBondContact O-N 3.02Å
178R97.7Very high97.4Very high71 Ų7177.9 Ų77.927%0.26836%0.355SS..Hα-helixtrans-63.4-37.5174.7-68.6-58.9-67.7173.9-4.3112.4I76 A78 D79 H174 D175 T176 Y180 V181 F182I76-R178 WeakPolarHBondContact O-CD 3.31Å; I76-R178 PolarHBondContact O-NH1 3.35Å; A78-R178 PolarHBondContact O-NH1 3.14Å; D79-R178 IonicContact OD2-CZ 3.94Å; D79-R178 IonicContact OD2-NH1 3.87Å; D79-R178 IonicContact OD2-NH2 3.04Å; D79-R178 PolarHBondContact OD2-NH2 2.95Å; H174-R178 WeakPolarHBondContact O-CG 3.27Å; H174-R178 PolarHBondContact O-N 3.48Å; D175-R178 PolarHBondContact O-N 2.94Å; T176-R178 PolarHBondContact O-N 2.98Å; R178-Y180 VanDerWaalsContact C-N 3.35Å; R178-V181 PolarHBondContact O-N 2.97Å; R178-F182 PolarHBondContact O-N 3Å
179S98Very high97.4Very high43 Ų4371 Ų7130%0.30133%0.332SS..Hα-helixtrans-61.5-42.4173.3-176.80000111.6D175 T176 A177 F182 R183D175-S179 VanDerWaalsContact O-CB 3.31Å; D175-S179 WeakPolarHBondContact O-CB 3.39Å; D175-S179 PolarHBondContact O-N 3.31Å; T176-S179 WeakPolarHBondContact O-CB 3.44Å; T176-S179 PolarHBondContact O-N 3.03Å; A177-S179 VanDerWaalsContact C-N 3.33Å; A177-S179 PolarHBondContact O-N 3.08Å; S179-F182 PolarHBondContact O-N 2.9Å; S179-R183 WeakPolarHBondContact O-CB 3.38Å; S179-R183 VanDerWaalsContact O-CG 3.27Å; S179-R183 WeakPolarHBondContact O-CG 3.32Å; S179-R183 PolarHBondContact O-N 3.22Å; S179-R183 PolarHBondContact OG-NE 3.38Å
180Y98.3Very high97.3Very high43 Ų4371.4 Ų71.417%0.16933%0.331CS..Hα-helixtrans-63.9-42.8174.3-87.7-123000111.9W106 E112 T176 A177 R178 F182 R183 F184W106-Y180 HydrophobicContact CB-CD1 4.05Å; W106-Y180 HydrophobicContact CB-CD2 4.15Å; W106-Y180 HydrophobicContact CB-CE1 4.38Å; W106-Y180 HydrophobicContact CB-CE2 4.49Å; W106-Y180 HydrophobicContact CB-CG 3.91Å; W106-Y180 HydrophobicContact CE3-CE1 4.17Å; W106-Y180 HydrophobicContact CE3-CE2 4.38Å; W106-Y180 AromaticContact CE3-CZ 3.87Å; E112-Y180 PolarHBondContact OE1-OH 3.34Å; T176-Y180 HydrophobicContact CG2-CD2 4.23Å; T176-Y180 HydrophobicContact CG2-CE2 4.06Å; T176-Y180 VanDerWaalsContact O-CD2 3.32Å; T176-Y180 WeakPolarHBondContact O-CD2 3.49Å; T176-Y180 PolarHBondContact O-N 2.9Å; A177-Y180 WeakPolarHBondContact O-CB 3.49Å; A177-Y180 PolarHBondContact O-N 3.26Å; R178-Y180 VanDerWaalsContact C-N 3.35Å; Y180-F182 VanDerWaalsContact C-N 3.32Å; Y180-F182 PolarHBondContact O-N 2.81Å; Y180-R183 PolarHBondContact O-N 3.15Å; Y180-F184 AromaticContact CD1-CD2 3.87Å; Y180-F184 HydrophobicContact CD1-CD2 3.87Å; Y180-F184 AromaticContact CD1-CE2 3.91Å; Y180-F184 HydrophobicContact CD1-CE2 3.91Å; Y180-F184 HydrophobicContact CD2-CE2 4.48Å; Y180-F184 HydrophobicContact CE1-CE2 4.2Å; Y180-F184 HydrophobicContact CG-CD2 4.06Å; Y180-F184 HydrophobicContact CG-CE2 4.09Å; Y180-F184 WeakPolarHBondContact O-CD2 3.4Å; Y180-F184 PolarHBondContact O-N 3.28Å
181V98.1Very high97.4Very high2 Ų271.4 Ų71.41%0.01232%0.323CS..Hα-helixtrans-55.8-49.8175.3-179.30000110.5Y82 A177 R178 R183 A185 R186Y82-V181 VanDerWaalsContact OH-CG2 3.22Å; Y82-V181 WeakPolarHBondContact OH-CG2 3.44Å; A177-V181 VanDerWaalsContact O-CG2 3.24Å; A177-V181 WeakPolarHBondContact O-CG2 3.41Å; A177-V181 PolarHBondContact O-N 3.02Å; R178-V181 PolarHBondContact O-N 2.97Å; V181-R183 VanDerWaalsContact C-N 3.35Å; V181-R183 PolarHBondContact O-N 3.03Å; V181-A185 HydrophobicContact CG1-CB 4.46Å; V181-A185 PolarHBondContact O-N 3.18Å; V181-A185 VanDerWaalsContact O-N 3.09Å; V181-R186 PolarHBondContact O-N 2.72Å
182F97.5Very high97.3Very high137 Ų13766.4 Ų66.460%0.60130%0.299SS*.Hα-helixtrans-62.7-38.7-179.4-177.9-95.2000113.2R178 S179 Y180R178-F182 PolarHBondContact O-N 3Å; S179-F182 PolarHBondContact O-N 2.9Å; Y180-F182 VanDerWaalsContact C-N 3.32Å; Y180-F182 PolarHBondContact O-N 2.81Å
183R97.7Very high97.3Very high173 Ų17369.3 Ų69.365%0.65331%0.305SS*.Hα-helixtrans-81.5-34-174.5-71.4176.2-175.9-163.71114.1S179 Y180 V181S179-R183 WeakPolarHBondContact O-CB 3.38Å; S179-R183 VanDerWaalsContact O-CG 3.27Å; S179-R183 WeakPolarHBondContact O-CG 3.32Å; S179-R183 PolarHBondContact O-N 3.22Å; S179-R183 PolarHBondContact OG-NE 3.38Å; Y180-R183 PolarHBondContact O-N 3.15Å; V181-R183 VanDerWaalsContact C-N 3.35Å; V181-R183 PolarHBondContact O-N 3.03Å
184F97.8Very high97.2Very high81 Ų8174.6 Ų74.636%0.35533%0.329SS..Hα-helixtrans-128-15.4-164.2-53.1-60.2000115.2T103 Q104 Y180T103-F184 WeakPolarHBondContact CG2-O 3.42Å; Q104-F184 HydrophobicContact CB-CB 4.01Å; Q104-F184 HydrophobicContact CB-CD1 4.33Å; Q104-F184 HydrophobicContact CB-CD2 3.77Å; Q104-F184 HydrophobicContact CB-CE2 4.3Å; Q104-F184 HydrophobicContact CB-CG 3.79Å; Y180-F184 AromaticContact CD1-CD2 3.87Å; Y180-F184 HydrophobicContact CD1-CD2 3.87Å; Y180-F184 AromaticContact CD1-CE2 3.91Å; Y180-F184 HydrophobicContact CD1-CE2 3.91Å; Y180-F184 HydrophobicContact CD2-CE2 4.48Å; Y180-F184 HydrophobicContact CE1-CE2 4.2Å; Y180-F184 HydrophobicContact CG-CD2 4.06Å; Y180-F184 HydrophobicContact CG-CE2 4.09Å; Y180-F184 WeakPolarHBondContact O-CD2 3.4Å; Y180-F184 PolarHBondContact O-N 3.28Å
185A96.4Very high97.2Very high3 Ų374.2 Ų74.23%0.02533%0.325CS..  trans-121.13.8-17000000114.4G80 S81 Y82 T103 V181G80-A185 CarbonylContact C-O 3.45Å; G80-A185 WeakPolarHBondContact CA-O 3.37Å; S81-A185 WeakPolarHBondContact CB-O 3.38Å; S81-A185 PolarHBondContact N-O 3.08Å; Y82-A185 HydrophobicContact CD1-CB 4.24Å; Y82-A185 HydrophobicContact CE1-CB 3.69Å; T103-A185 HydrophobicContact CG2-CB 3.91Å; V181-A185 HydrophobicContact CG1-CB 4.46Å; V181-A185 PolarHBondContact O-N 3.18Å; V181-A185 VanDerWaalsContact O-N 3.09Å
186R90.2Very high97.1Very high200 Ų20072.1 Ų72.176%0.75531%0.308SS*.  trans-90.80176.4-75-173.5172.5-165.9-3.8112.7V181V181-R186 PolarHBondContact O-N 2.72Å

Retrieved 186 of 186 residues in 314.2 ms (Link to these results)

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