A0A060WD62_ONCMY Loading...

Rho-related GTP-binding protein RhoQ

AlphaFold DB (A0A673VZ07), UniProt , Accession A0A060WD62, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene LOC110527002, Length 207 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
1M34.6Very low66.4Low245 Ų24599.1 Ų99.1100%1.20762%0.618SS**  099.20-64.1-178.3-169.800107.4
2A38.7Very low69Low103 Ų10390.8 Ų90.885%0.85157%0.567SS**  trans-100.5105.6174.600000107G4A2-G4 PolarHBondContact O-N 3.04Å
3N42Very low71.3Confident161 Ų16183.8 Ų83.886%0.86152%0.523SS*.  trans-68.889.9165.9-84.5-6.8000106.9T5N3-T5 PolarHBondContact O-N 2.93Å
4G45.8Very low73.2Confident70 Ų7077.9 Ų77.972%0.72249%0.486SS*.  trans-61.6107.2165.700000107.4A2 G6A2-G4 PolarHBondContact O-N 3.04Å; G4-G6 VanDerWaalsContact C-N 3.27Å; G4-G6 PolarHBondContact O-N 2.86Å
5T56.3Low74.9Confident133 Ų13372.7 Ų72.782%0.81645%0.453SS*.  trans-62.994.4169.246.60000107.1N3 T7N3-T5 PolarHBondContact O-N 2.93Å; T5-T7 PolarHBondContact O-N 3.25Å
6G61.9Low76.3Confident70 Ų7068.1 Ų68.172%0.72243%0.425SS*.PPolyproline II helixtrans-59.3124.517900000109.7G4 L8G4-G6 VanDerWaalsContact C-N 3.27Å; G4-G6 PolarHBondContact O-N 2.86Å; G6-L8 PolarHBondContact O-N 3.39Å
7T77.9Confident77.6Confident74 Ų7465.4 Ų65.445%0.45441%0.407SS..PPolyproline II helixtrans-57.5122.8171.2-53.80000108.4T5 M9 Q56 L58T5-T7 PolarHBondContact O-N 3.25Å; T7-M9 PolarHBondContact O-N 3.23Å; T7-Q56 HydrophobicContact CG2-CG 4.46Å; T7-L58 HydrophobicContact CG2-CB 4.01Å
8L88.1Confident78.5Confident97 Ų9763.2 Ų63.251%0.50840%0.399SS..EExtended strand (participates in β ladder)trans-68.1122.6179179.667.6000109G6 L10 Y57 L58G6-L8 PolarHBondContact O-N 3.39Å; L8-L10 HydrophobicContact CD2-CD2 3.81Å; L8-L10 HydrophobicContact CG-CD2 3.92Å; L8-Y57 HydrophobicContact CB-CD1 3.96Å; L8-Y57 HydrophobicContact CB-CE1 4.33Å; L8-Y57 HydrophobicContact CD2-CD1 4.07Å; L8-Y57 HydrophobicContact CD2-CE1 3.91Å; L8-Y57 HydrophobicContact CG-CD1 4.37Å; L8-L58 PolarHBondContact O-N 3.18Å
9M92.3Very high79.4Confident102 Ų10263.7 Ų63.750%0.50241%0.41SS..EExtended strand (participates in β ladder)trans-85.8129.6174.3-168.2171.7-158.900109.6T7 L58T7-M9 PolarHBondContact O-N 3.23Å; M9-L58 CarbonylContact C-O 3.58Å; M9-L58 WeakPolarHBondContact CA-O 3.4Å; M9-L58 HydrophobicContact CE-CD2 4.04Å; M9-L58 HydrophobicContact CG-CD2 4.28Å; M9-L58 HydrophobicContact SD-CD2 4.36Å
10L95.8Very high80.3Confident5 Ų560.6 Ų60.63%0.02639%0.389CS..EExtended strand (participates in β ladder)trans-117.7141.2178.7-59.2-177.5000108.9L8 Y57 L58 L59 G60 D82 I179 I182L8-L10 HydrophobicContact CD2-CD2 3.81Å; L8-L10 HydrophobicContact CG-CD2 3.92Å; L10-Y57 HydrophobicContact CD1-CD1 3.88Å; L10-Y57 HydrophobicContact CD1-CG 4.11Å; L10-Y57 HydrophobicContact CG-CD1 4.28Å; L10-L58 PolarHBondContact N-O 3.27Å; L10-L59 HydrophobicContact CB-CD1 3.85Å; L10-G60 PolarHBondContact O-N 2.94Å; L10-D82 WeakPolarHBondContact CA-OD2 3.3Å; L10-I179 HydrophobicContact CD1-CG1 4.34Å; L10-I179 HydrophobicContact CD1-CG2 4.14Å; L10-I182 HydrophobicContact CB-CD1 4.05Å; L10-I182 HydrophobicContact CD1-CD1 3.99Å; L10-I182 HydrophobicContact CD2-CD1 4.47Å; L10-I182 HydrophobicContact CD2-CG2 3.99Å; L10-I182 HydrophobicContact CG-CD1 4.39Å
11K96.9Very high81Confident30 Ų3058.4 Ų58.413%0.1338%0.379CS..EExtended strand (participates in β ladder)trans-110.3117.4179175.7164.7175.7-175.60111.5V13 Y62 S77 P79 D82 V83K11-V13 HydrophobicContact CG-CG2 4.27Å; K11-Y62 HydrophobicContact CB-CE2 4.26Å; K11-Y62 HydrophobicContact CD-CD2 4.09Å; K11-Y62 HydrophobicContact CD-CE1 4.48Å; K11-Y62 HydrophobicContact CD-CE2 3.63Å; K11-Y62 HydrophobicContact CG-CD2 3.68Å; K11-Y62 HydrophobicContact CG-CE2 3.48Å; K11-Y62 VanDerWaalsContact CG-CE2 3.48Å; K11-S77 WeakPolarHBondContact CE-O 3.48Å; K11-S77 PolarHBondContact NZ-O 3.22Å; K11-P79 PolarHBondContact NZ-O 2.85Å; K11-D82 PolarHBondContact N-OD2 2.98Å; K11-D82 WeakPolarHBondContact O-CB 3.39Å; K11-D82 PolarHBondContact O-N 3.13Å; K11-V83 PolarHBondContact O-N 2.97Å
12C97.8Very high84Confident0 Ų047.2 Ų47.20%032%0.323CS..EExtended strand (participates in β ladder)trans-112.9119.6175176.80000110.1L59 G60 L61 Y62 V83C12-L59 HydrophobicContact CB-CD1 3.85Å; C12-L59 HydrophobicContact CB-CG 4.39Å; C12-G60 PolarHBondContact N-O 3.43Å; C12-L61 HydrophobicContact CB-CD2 4.28Å; C12-Y62 PolarHBondContact O-N 3.25Å; C12-V83 WeakPolarHBondContact CA-O 3.38Å; C12-V83 HydrophobicContact CB-CG1 3.87Å
13V98.3Very high86.7Confident0 Ų043.2 Ų43.20%029%0.288CS..EExtended strand (participates in β ladder)trans-107.2135177179.10000110.1K11 V15 Y62 T64 Y78 T81 V83 F84 L85K11-V13 HydrophobicContact CG-CG2 4.27Å; V13-V15 HydrophobicContact CG1-CG1 4.28Å; V13-Y62 HydrophobicContact CG2-CG 4.26Å; V13-T64 HydrophobicContact CG1-CG2 3.84Å; V13-Y78 HydrophobicContact CG1-CD1 4.09Å; V13-Y78 HydrophobicContact CG1-CE1 3.98Å; V13-T81 HydrophobicContact CB-CG2 4Å; V13-T81 HydrophobicContact CG2-CG2 3.67Å; V13-T81 VanDerWaalsContact CG2-OG1 3.24Å; V13-T81 WeakPolarHBondContact CG2-OG1 3.14Å; V13-V83 PolarHBondContact N-O 2.96Å; V13-V83 VanDerWaalsContact N-O 3.08Å; V13-F84 HydrophobicContact CB-CD1 3.66Å; V13-F84 HydrophobicContact CB-CE1 3.65Å; V13-F84 HydrophobicContact CG1-CD1 3.93Å; V13-F84 HydrophobicContact CG1-CE1 3.77Å; V13-F84 HydrophobicContact CG2-CE1 4.26Å; V13-F84 CarbonylContact O-C 3.4Å; V13-F84 VanDerWaalsContact O-CA 3.29Å; V13-F84 WeakPolarHBondContact O-CA 3.39Å; V13-L85 PolarHBondContact O-N 2.72Å
14V98.2Very high89.2Confident0 Ų036.6 Ų36.60%025%0.254CS..EExtended strand (participates in β ladder)trans-108.8126.4-179.2-168.70000110.2K22 L26 Y62 T64 L85 C87V14-K22 HydrophobicContact CG1-CB 3.87Å; V14-K22 HydrophobicContact CG1-CD 4Å; V14-K22 HydrophobicContact CG1-CG 3.89Å; V14-L26 HydrophobicContact CB-CD1 4.32Å; V14-L26 HydrophobicContact CG2-CD1 3.86Å; V14-L26 HydrophobicContact CG2-CD2 3.56Å; V14-L26 HydrophobicContact CG2-CG 3.99Å; V14-Y62 PolarHBondContact N-O 3.29Å; V14-T64 PolarHBondContact O-OG1 2.6Å; V14-L85 HydrophobicContact CG1-CB 4.19Å; V14-L85 HydrophobicContact CG2-CB 4.24Å; V14-L85 HydrophobicContact CG2-CD1 4.04Å; V14-L85 HydrophobicContact CG2-CG 4.4Å; V14-C87 VanDerWaalsContact CG1-SG 3.54Å
15V98.4Very high91.5Very high0 Ų033.3 Ų33.30%022%0.22CC..EExtended strand (participates in β ladder)trans-128.4167.7179.2-58.20000110.5V13 K22 Y78 F84 L85 I86 C87 W103 L107V13-V15 HydrophobicContact CG1-CG1 4.28Å; V15-K22 VanDerWaalsContact C-CD 3.47Å; V15-Y78 HydrophobicContact CG1-CE1 3.99Å; V15-Y78 WeakPolarHBondContact CG1-OH 3.35Å; V15-F84 HydrophobicContact CG1-CD1 4.43Å; V15-L85 PolarHBondContact N-O 2.77Å; V15-I86 HydrophobicContact CG2-CB 4.41Å; V15-I86 HydrophobicContact CG2-CG1 4.04Å; V15-I86 HydrophobicContact CG2-CG2 4.48Å; V15-C87 PolarHBondContact O-N 3.28Å; V15-W103 HydrophobicContact CB-CE3 3.94Å; V15-W103 HydrophobicContact CB-CZ3 4.25Å; V15-W103 HydrophobicContact CG2-CE3 4.27Å; V15-L107 HydrophobicContact CG2-CD1 4.27Å
16G98.4Very high93.3Very high0 Ų027 Ų270%018%0.181CC..EExtended strand (participates in β ladder)trans135.8166.9-174.600000111.8K22 G66 C87 W103G16-K22 WeakPolarHBondContact O-CE 3.38Å; G16-K22 PolarHBondContact O-NZ 2.87Å; G16-G66 WeakPolarHBondContact O-CA 3.41Å; G16-C87 WeakPolarHBondContact CA-O 3.21Å; G16-W103 WeakPolarHBondContact O-CZ2 3.39Å
17D98Very high94.8Very high22 Ų2225.7 Ų25.712%0.11816%0.157CC..  trans-54.3161.2-176-73.328.1000113.8V20 K22 S95 N98 W103D17-V20 HydrophobicContact CB-CG1 3.68Å; D17-V20 VanDerWaalsContact O-CG2 3.28Å; D17-V20 WeakPolarHBondContact O-CG2 3.4Å; D17-K22 PolarHBondContact O-NZ 2.83Å; D17-S95 VanDerWaalsContact OD2-CA 3.31Å; D17-S95 WeakPolarHBondContact OD2-CA 3.35Å; D17-S95 WeakPolarHBondContact OD2-CB 3.44Å; D17-N98 WeakPolarHBondContact OD1-CB 3.39Å; D17-N98 PolarHBondContact OD2-ND2 3.35Å; D17-W103 PolarHBondContact OD1-NE1 2.85Å
18G94.6Very high95.5Very high25 Ų2522.2 Ų22.226%0.25814%0.136SC..THydrogen-bonded Turntrans-52.4146.3164.900000111.9V20 G66G18-V20 PolarHBondContact O-N 2.93Å; G18-G66 PolarHBondContact N-O 3.15Å; G18-G66 VanDerWaalsContact N-O 3.16Å
19A94.4Very high95.7Very high74 Ų7419.9 Ų19.961%0.61212%0.12SC*.THydrogen-bonded Turntrans59.48.8174.500000117.6G21 Q122A19-G21 PolarHBondContact O-N 2.99Å; A19-Q122 PolarHBondContact O-NE2 3Å
20V97.6Very high95.5Very high0 Ų016.5 Ų16.50%011%0.108CC..SBendtrans-75.3-0.5173.5-54.60000113.7D17 G18 K22 C87 T121 Q122D17-V20 HydrophobicContact CB-CG1 3.68Å; D17-V20 VanDerWaalsContact O-CG2 3.28Å; D17-V20 WeakPolarHBondContact O-CG2 3.4Å; G18-V20 PolarHBondContact O-N 2.93Å; V20-K22 HydrophobicContact CG2-CD 4.38Å; V20-K22 HydrophobicContact CG2-CG 3.73Å; V20-C87 HydrophobicContact CG2-CB 3.93Å; V20-T121 WeakPolarHBondContact O-CB 3.42Å; V20-T121 PolarHBondContact O-OG1 3.16Å; V20-Q122 VanDerWaalsContact C-NE2 3.27Å; V20-Q122 PolarHBondContact O-NE2 3.17Å
21G96.1Very high95.1Very high16 Ų1620.8 Ų20.817%0.16513%0.131CC..SBendtrans8726.8174.800000115.7A19 C24 L25A19-G21 PolarHBondContact O-N 2.99Å; G21-C24 PolarHBondContact O-N 2.94Å; G21-L25 VanDerWaalsContact O-CB 3.28Å; G21-L25 WeakPolarHBondContact O-CB 3.41Å; G21-L25 PolarHBondContact O-N 2.9Å
22K96.9Very high94.6Very high10 Ų1025.2 Ų25.24%0.04316%0.157CC..Hα-helixtrans-55.6-53.8173.9-58.4-172.1-59.4-77.50112V14 V15 G16 D17 V20 C24 L25 L26 T64 C87V14-K22 HydrophobicContact CG1-CB 3.87Å; V14-K22 HydrophobicContact CG1-CD 4Å; V14-K22 HydrophobicContact CG1-CG 3.89Å; V15-K22 VanDerWaalsContact C-CD 3.47Å; G16-K22 WeakPolarHBondContact O-CE 3.38Å; G16-K22 PolarHBondContact O-NZ 2.87Å; D17-K22 PolarHBondContact O-NZ 2.83Å; V20-K22 HydrophobicContact CG2-CD 4.38Å; V20-K22 HydrophobicContact CG2-CG 3.73Å; K22-C24 PolarHBondContact O-N 3.43Å; K22-L25 WeakPolarHBondContact O-CB 3.23Å; K22-L25 PolarHBondContact O-N 3.35Å; K22-L26 WeakPolarHBondContact O-CG 3.41Å; K22-L26 PolarHBondContact O-N 2.9Å; K22-T64 WeakPolarHBondContact CE-O 3.48Å; K22-C87 HydrophobicContact CG-CB 4.01Å
23T94.3Very high93.8Very high19 Ų1927.6 Ų27.612%0.11718%0.176CC..Hα-helixtrans-59.2-47.5177.6-43.70000111.9L25 L26 M27 T41 D63T23-L25 VanDerWaalsContact C-N 3.3Å; T23-L25 PolarHBondContact O-N 3.01Å; T23-L26 PolarHBondContact O-N 3.38Å; T23-M27 HydrophobicContact CG2-CG 4.32Å; T23-M27 HydrophobicContact CG2-SD 3.97Å; T23-M27 WeakPolarHBondContact O-CB 3.33Å; T23-M27 WeakPolarHBondContact O-CG 3.25Å; T23-M27 PolarHBondContact O-N 3.38Å; T23-T41 WeakPolarHBondContact CG2-OG1 3.41Å; T23-T41 PolarHBondContact OG1-OG1 3.2Å; T23-D63 VanDerWaalsContact CA-OD2 3.3Å; T23-D63 WeakPolarHBondContact CA-OD2 3.18Å; T23-D63 WeakPolarHBondContact CB-OD2 3.37Å; T23-D63 WeakPolarHBondContact CG2-OD2 3.32Å; T23-D63 PolarHBondContact OG1-OD2 2.98Å
24C94.5Very high92.9Very high21 Ų2131.6 Ų31.614%0.14219%0.194CC..Hα-helixtrans-61.7-38.5177.9-55.20000112.1G21 K22 S28 F34 P35 A165G21-C24 PolarHBondContact O-N 2.94Å; K22-C24 PolarHBondContact O-N 3.43Å; C24-S28 WeakPolarHBondContact O-CB 3.29Å; C24-S28 PolarHBondContact O-N 3.31Å; C24-F34 HydrophobicContact CB-CD2 4.45Å; C24-F34 HydrophobicContact CB-CE2 3.72Å; C24-F34 HydrophobicContact CB-CZ 4.26Å; C24-P35 HydrophobicContact CB-CG 4.39Å; C24-A165 HydrophobicContact CB-CB 3.87Å
25L95.9Very high92Very high1 Ų132.7 Ų32.71%0.00520%0.201CC..Hα-helixtrans-61.5-46.6175.5172.7152.1000111.2G21 K22 T23 Y29 L85 I119 T121 C163 L171 F175G21-L25 VanDerWaalsContact O-CB 3.28Å; G21-L25 WeakPolarHBondContact O-CB 3.41Å; G21-L25 PolarHBondContact O-N 2.9Å; K22-L25 WeakPolarHBondContact O-CB 3.23Å; K22-L25 PolarHBondContact O-N 3.35Å; T23-L25 VanDerWaalsContact C-N 3.3Å; T23-L25 PolarHBondContact O-N 3.01Å; L25-Y29 WeakPolarHBondContact O-CB 3.38Å; L25-Y29 PolarHBondContact O-N 3.19Å; L25-L85 HydrophobicContact CD2-CD1 4.39Å; L25-I119 HydrophobicContact CD1-CG2 3.93Å; L25-T121 HydrophobicContact CD1-CG2 4.11Å; L25-C163 VanDerWaalsContact CD1-SG 3.55Å; L25-L171 HydrophobicContact CB-CD2 4.49Å; L25-L171 HydrophobicContact CG-CD2 4Å; L25-F175 HydrophobicContact CD2-CE1 4.36Å; L25-F175 HydrophobicContact CD2-CE2 4.04Å; L25-F175 HydrophobicContact CD2-CZ 3.47Å; L25-F175 VanDerWaalsContact CD2-CZ 3.47Å; L25-F175 HydrophobicContact CG-CZ 4.44Å
26L94.1Very high90.8Very high0 Ų042.3 Ų42.30%025%0.246CC..Hα-helixtrans-68.7-48.1-179.4-68177.8000111.9V14 K22 T23 Y29 A30 L61 D63 F175V14-L26 HydrophobicContact CB-CD1 4.32Å; V14-L26 HydrophobicContact CG2-CD1 3.86Å; V14-L26 HydrophobicContact CG2-CD2 3.56Å; V14-L26 HydrophobicContact CG2-CG 3.99Å; K22-L26 WeakPolarHBondContact O-CG 3.41Å; K22-L26 PolarHBondContact O-N 2.9Å; T23-L26 PolarHBondContact O-N 3.38Å; L26-Y29 PolarHBondContact O-N 2.98Å; L26-A30 WeakPolarHBondContact O-CB 3.32Å; L26-A30 PolarHBondContact O-N 3.48Å; L26-L61 HydrophobicContact CD2-CB 3.87Å; L26-L61 HydrophobicContact CD2-CD1 4.15Å; L26-L61 HydrophobicContact CD2-CD2 3.98Å; L26-L61 HydrophobicContact CD2-CG 4.22Å; L26-D63 HydrophobicContact CD1-CB 3.42Å; L26-D63 VanDerWaalsContact CD1-CB 3.42Å; L26-F175 HydrophobicContact CD2-CE1 4.05Å; L26-F175 HydrophobicContact CD2-CZ 3.92Å
27M91.5Very high89.6Confident44 Ų4450 Ų5022%0.21728%0.282CS..Hα-helixtrans-65.9-42.9-179.9-70-173.775.700112.2T23 Y29 A30 N31 P35T23-M27 HydrophobicContact CG2-CG 4.32Å; T23-M27 HydrophobicContact CG2-SD 3.97Å; T23-M27 WeakPolarHBondContact O-CB 3.33Å; T23-M27 WeakPolarHBondContact O-CG 3.25Å; T23-M27 PolarHBondContact O-N 3.38Å; M27-Y29 VanDerWaalsContact C-N 3.28Å; M27-Y29 PolarHBondContact O-N 3.3Å; M27-A30 PolarHBondContact O-N 2.87Å; M27-N31 WeakPolarHBondContact O-CB 3.33Å; M27-N31 PolarHBondContact O-N 3.32Å; M27-N31 PolarHBondContact O-ND2 3.47Å; M27-P35 HydrophobicContact CB-CG 4.3Å; M27-P35 HydrophobicContact CE-CB 4Å; M27-P35 HydrophobicContact SD-CB 4Å; M27-P35 HydrophobicContact SD-CG 4.19Å
28S93.1Very high88.1Confident1 Ų155.5 Ų55.51%0.00730%0.302CS..Hα-helixtrans-63.2-37.7178.8-171.70000111.7C24 D32 A33 A165 L171C24-S28 WeakPolarHBondContact O-CB 3.29Å; C24-S28 PolarHBondContact O-N 3.31Å; S28-D32 WeakPolarHBondContact O-CA 3.39Å; S28-D32 PolarHBondContact O-N 3.07Å; S28-D32 VanDerWaalsContact O-N 3.07Å; S28-A33 VanDerWaalsContact CA-O 3.32Å; S28-A33 WeakPolarHBondContact CA-O 3.34Å; S28-A33 PolarHBondContact O-N 2.93Å; S28-A165 PolarHBondContact OG-O 3.1Å; S28-L171 WeakPolarHBondContact OG-CD1 3.38Å
29Y92.3Very high86.9Confident48 Ų4859.2 Ų59.219%0.18832%0.319CS..Hα-helixtrans-70.3-41.4173.7-179.6-116.8000113.5L25 L26 M27 V48 V50 L61 F175L25-Y29 WeakPolarHBondContact O-CB 3.38Å; L25-Y29 PolarHBondContact O-N 3.19Å; L26-Y29 PolarHBondContact O-N 2.98Å; M27-Y29 VanDerWaalsContact C-N 3.28Å; M27-Y29 PolarHBondContact O-N 3.3Å; Y29-V48 HydrophobicContact CD1-CG2 4.33Å; Y29-V48 HydrophobicContact CE1-CG2 3.72Å; Y29-V50 HydrophobicContact CE1-CG1 4.5Å; Y29-V50 WeakPolarHBondContact OH-CG1 3.49Å; Y29-L61 HydrophobicContact CD1-CD1 4.04Å; Y29-F175 HydrophobicContact CD1-CD1 4.05Å; Y29-F175 AromaticContact CD1-CD2 3.33Å; Y29-F175 HydrophobicContact CD1-CD2 3.33Å; Y29-F175 HydrophobicContact CD1-CE1 4.03Å; Y29-F175 AromaticContact CD1-CE2 3.33Å; Y29-F175 HydrophobicContact CD1-CE2 3.33Å; Y29-F175 AromaticContact CD1-CG 3.69Å; Y29-F175 HydrophobicContact CD1-CG 3.69Å; Y29-F175 AromaticContact CD1-CZ 3.65Å; Y29-F175 HydrophobicContact CD1-CZ 3.65Å; Y29-F175 AromaticContact CD2-CD2 3.4Å; Y29-F175 HydrophobicContact CD2-CD2 3.4Å; Y29-F175 VanDerWaalsContact CD2-CD2 3.4Å; Y29-F175 AromaticContact CD2-CE2 3.75Å; Y29-F175 HydrophobicContact CD2-CE2 3.75Å; Y29-F175 HydrophobicContact CD2-CG 4.27Å; Y29-F175 HydrophobicContact CE1-CB 3.78Å; Y29-F175 AromaticContact CE1-CD1 3.88Å; Y29-F175 HydrophobicContact CE1-CD1 3.88Å; Y29-F175 AromaticContact CE1-CD2 3.48Å; Y29-F175 HydrophobicContact CE1-CD2 3.48Å; Y29-F175 VanDerWaalsContact CE1-CD2 3.48Å; Y29-F175 HydrophobicContact CE1-CE1 4.31Å; Y29-F175 AromaticContact CE1-CE2 3.98Å; Y29-F175 HydrophobicContact CE1-CE2 3.98Å; Y29-F175 AromaticContact CE1-CG 3.4Å; Y29-F175 HydrophobicContact CE1-CG 3.4Å; Y29-F175 VanDerWaalsContact CE1-CG 3.4Å; Y29-F175 HydrophobicContact CE1-CZ 4.32Å; Y29-F175 HydrophobicContact CE2-CB 4.06Å; Y29-F175 AromaticContact CE2-CD2 3.58Å; Y29-F175 HydrophobicContact CE2-CD2 3.58Å; Y29-F175 HydrophobicContact CE2-CE2 4.36Å; Y29-F175 HydrophobicContact CE2-CG 4.06Å; Y29-F175 AromaticContact CG-CD2 3.27Å; Y29-F175 HydrophobicContact CG-CD2 3.27Å; Y29-F175 AromaticContact CG-CE2 3.18Å; Y29-F175 HydrophobicContact CG-CE2 3.18Å; Y29-F175 HydrophobicContact CG-CG 4.1Å; Y29-F175 AromaticContact CG-CZ 3.91Å; Y29-F175 HydrophobicContact CG-CZ 3.91Å; Y29-F175 AromaticContact CZ-CD2 3.61Å; Y29-F175 AromaticContact CZ-CG 3.62Å
30A88.9Confident85.9Confident30 Ų3059.4 Ų59.425%0.24831%0.314CS..Hα-helixtrans-72.4-34.5-177.200000113.4L26 M27 V48L26-A30 WeakPolarHBondContact O-CB 3.32Å; L26-A30 PolarHBondContact O-N 3.48Å; M27-A30 PolarHBondContact O-N 2.87Å; A30-V48 HydrophobicContact CB-CG1 3.84Å
31N87.2Confident84.9Confident95 Ų9560 Ų6051%0.50832%0.318SS..Hα-helixtrans-106.7-2.5-172.8-60.8-33.3000113.9M27 A33M27-N31 WeakPolarHBondContact O-CB 3.33Å; M27-N31 PolarHBondContact O-N 3.32Å; M27-N31 PolarHBondContact O-ND2 3.47Å; N31-A33 PolarHBondContact O-N 3.46Å; N31-A33 VanDerWaalsContact O-N 3.15Å
32D85.8Confident83.6Confident124 Ų12462.5 Ų62.566%0.66333%0.33SS*.SBendtrans55.126.9-172.7-156.834.3000113.1S28 Q168S28-D32 WeakPolarHBondContact O-CA 3.39Å; S28-D32 PolarHBondContact O-N 3.07Å; S28-D32 VanDerWaalsContact O-N 3.07Å; D32-Q168 PolarHBondContact O-NE2 3.06Å
33A81.2Confident81.8Confident50 Ų5065.5 Ų65.541%0.41334%0.343SS..SBendtrans-156138.8-174.100000111.5S28 N31S28-A33 VanDerWaalsContact CA-O 3.32Å; S28-A33 WeakPolarHBondContact CA-O 3.34Å; S28-A33 PolarHBondContact O-N 2.93Å; N31-A33 PolarHBondContact O-N 3.46Å; N31-A33 VanDerWaalsContact O-N 3.15Å
34F78.7Confident80.9Confident84 Ų8468.1 Ų68.137%0.36836%0.356SS..  trans-72.3137176.8-171-97.9000111.1C24 A165 L166C24-F34 HydrophobicContact CB-CD2 4.45Å; C24-F34 HydrophobicContact CB-CE2 3.72Å; C24-F34 HydrophobicContact CB-CZ 4.26Å; F34-A165 VanDerWaalsContact CD2-C 3.45Å; F34-A165 HydrophobicContact CD2-CB 3.97Å; F34-A165 WeakPolarHBondContact CD2-O 3.17Å; F34-A165 HydrophobicContact CE2-CB 3.86Å; F34-L166 HydrophobicContact CB-CD1 4.49Å; F34-L166 HydrophobicContact CD1-CD1 3.98Å; F34-L166 VanDerWaalsContact CD2-CA 3.47Å; F34-L166 HydrophobicContact CD2-CB 4.19Å; F34-L166 HydrophobicContact CD2-CD1 4.4Å; F34-L166 HydrophobicContact CE1-CD1 4.28Å; F34-L166 HydrophobicContact CE2-CB 4.19Å; F34-L166 HydrophobicContact CG-CD1 4.03Å
35P79.9Confident80.2Confident23 Ų2371.3 Ų71.315%0.14937%0.369CS..  trans-69.3131.6178.827.7-34000111.7C24 M27C24-P35 HydrophobicContact CB-CG 4.39Å; M27-P35 HydrophobicContact CB-CG 4.3Å; M27-P35 HydrophobicContact CE-CB 4Å; M27-P35 HydrophobicContact SD-CB 4Å; M27-P35 HydrophobicContact SD-CG 4.19Å
36E73.6Confident79.5Confident201 Ų20174.3 Ų74.394%0.93938%0.381SS*.SBendtrans-78.5-25.5178.7-65.2-172.2173.200113.1
37E73.4Confident79.2Confident162 Ų16276.8 Ų76.876%0.75740%0.401SS*.SBendtrans-112134.8179.1-66.1-173.4175.200111.4
38Y65.3Low79.1Confident138 Ų13875.7 Ų75.754%0.54140%0.397SS..  trans-95.4113.4173.2-179.6-107.8000110.6P40Y38-P40 HydrophobicContact CE1-CG 3.91Å
39V70Confident79Confident103 Ų10379.5 Ų79.562%0.62442%0.423SS*.  trans-113.6122169.9-178.10000107.9T41V39-T41 PolarHBondContact O-N 3.25Å
40P72.7Confident78.8Confident78 Ų7877.6 Ų77.651%0.50642%0.417SS..  trans-59.4124.3176.3-24.433.4000112.1Y38Y38-P40 HydrophobicContact CE1-CG 3.91Å
41T76.6Confident78.7Confident11 Ų1181.8 Ų81.87%0.06744%0.435CS..  trans-77.9136-178.5-540000112.3T23 V39 D44 D63 A65T23-T41 WeakPolarHBondContact CG2-OG1 3.41Å; T23-T41 PolarHBondContact OG1-OG1 3.2Å; V39-T41 PolarHBondContact O-N 3.25Å; T41-D44 HydrophobicContact CG2-CB 4.36Å; T41-D63 WeakPolarHBondContact CB-OD2 3.36Å; T41-D63 HydrophobicContact CG2-CB 3.98Å; T41-D63 WeakPolarHBondContact CG2-OD2 3.43Å; T41-D63 PolarHBondContact OG1-OD2 3.41Å; T41-A65 WeakPolarHBondContact O-CB 3.5Å
42V68.9Low78.5Confident70 Ų7078.2 Ų78.242%0.42442%0.417SS..SBendtrans-94.9-59.8164.1-179.50000109Y70V42-Y70 HydrophobicContact CB-CE1 4.44Å; V42-Y70 HydrophobicContact CG1-CD1 4.27Å; V42-Y70 HydrophobicContact CG1-CE1 3.78Å; V42-Y70 HydrophobicContact CG2-CE1 4.17Å
43F60.6Low78.2Confident73 Ų7376.3 Ų76.332%0.3243%0.426SS..EExtended strand (participates in β ladder)trans-155.8136.6167-73.8-73.7000109.5T64 L73 S77F43-T64 HydrophobicContact CD1-CG2 4.4Å; F43-T64 HydrophobicContact CE1-CG2 4.09Å; F43-L73 HydrophobicContact CE2-CB 4.11Å; F43-L73 HydrophobicContact CZ-CB 4.29Å; F43-L73 WeakPolarHBondContact CZ-O 3.38Å; F43-S77 VanDerWaalsContact CD1-OG 3.28Å; F43-S77 WeakPolarHBondContact CD1-OG 3.43Å; F43-S77 WeakPolarHBondContact CE1-OG 3.32Å
44D74.7Confident78.3Confident74 Ų7477.8 Ų77.840%0.39645%0.446SS..EExtended strand (participates in β ladder)trans-138.8150170.3-81.4-47.4000110.8T41 Y46 D63T41-D44 HydrophobicContact CG2-CB 4.36Å; D44-Y46 HydrophobicContact CB-CE2 3.7Å; D44-D63 HydrophobicContact CB-CB 4.31Å; D44-D63 PolarHBondContact O-N 3.04Å
45H79.1Confident78.6Confident88 Ų8880.3 Ų80.341%0.40746%0.457SS..EExtended strand (participates in β ladder)trans-129124.2177.1171.4-96.9000111.3L61 Y62H45-L61 WeakPolarHBondContact CA-O 3.48Å; H45-Y62 AromaticContact CD2-CD2 3.79Å; H45-Y62 AromaticContact CD2-CE1 3.75Å; H45-Y62 AromaticContact CD2-CE2 3.37Å; H45-Y62 WeakPolarHBondContact CD2-CE2 3.33Å; H45-Y62 AromaticContact CD2-CZ 3.35Å; H45-Y62 AromaticContact NE2-CE2 3.71Å; H45-Y62 AromaticContact NE2-CZ 3.77Å
46Y82.8Confident79Confident63 Ų6384.1 Ų84.125%0.24747%0.473CS..EExtended strand (participates in β ladder)trans-118.6151.8174.1-54.8-89.8000109.5D44 G60 L61D44-Y46 HydrophobicContact CB-CE2 3.7Å; Y46-G60 CarbonylContact O-C 3.57Å; Y46-G60 WeakPolarHBondContact O-CA 3.23Å; Y46-L61 PolarHBondContact N-O 3.41Å; Y46-L61 PolarHBondContact O-N 2.93Å
47A87.4Confident79.9Confident52 Ų5275.5 Ų75.543%0.4343%0.432SS..EExtended strand (participates in β ladder)trans-129.2128.7172.600000110L58 L59A47-L58 HydrophobicContact CB-CD1 4.02Å; A47-L58 HydrophobicContact CB-CG 4.25Å; A47-L59 WeakPolarHBondContact CA-O 3.37Å
48V89.9Confident80.8Confident21 Ų2170.2 Ų70.213%0.12741%0.409CS..EExtended strand (participates in β ladder)trans-123.7139.1-178.1-64.80000110.7Y29 A30 V50 L59 L61Y29-V48 HydrophobicContact CD1-CG2 4.33Å; Y29-V48 HydrophobicContact CE1-CG2 3.72Å; A30-V48 HydrophobicContact CB-CG1 3.84Å; V48-V50 HydrophobicContact CG2-CG1 3.89Å; V48-L59 HydrophobicContact CG2-CB 3.99Å; V48-L59 PolarHBondContact N-O 3.47Å; V48-L59 PolarHBondContact O-N 3.12Å; V48-L61 HydrophobicContact CG1-CD1 4.27Å; V48-L61 HydrophobicContact CG2-CD1 4.07Å; V48-L61 HydrophobicContact CG2-CG 4.46Å
49S90Very high82.2Confident81 Ų8163.7 Ų63.757%0.56638%0.383SS*.EExtended strand (participates in β ladder)trans-83123.2172.9-75.80000109.8Y57S49-Y57 WeakPolarHBondContact CA-O 3.12Å
50V88Confident83.5Confident9 Ų958.8 Ų58.86%0.05535%0.353CS..EExtended strand (participates in β ladder)trans-128.7139.4-173.8-640000110.8Y29 V48 Q56 Y57 L59 I179Y29-V50 HydrophobicContact CE1-CG1 4.5Å; Y29-V50 WeakPolarHBondContact OH-CG1 3.49Å; V48-V50 HydrophobicContact CG2-CG1 3.89Å; V50-Q56 CarbonylContact O-C 3.58Å; V50-Q56 WeakPolarHBondContact O-CA 3.34Å; V50-Y57 PolarHBondContact N-O 3Å; V50-Y57 PolarHBondContact O-N 2.75Å; V50-L59 HydrophobicContact CG1-CB 4.49Å; V50-L59 HydrophobicContact CG2-CB 4.1Å; V50-I179 HydrophobicContact CB-CD1 4.05Å; V50-I179 HydrophobicContact CG2-CD1 3.47Å; V50-I179 VanDerWaalsContact CG2-CD1 3.47Å
51N86.3Confident84.5Confident117 Ų11755 Ų5563%0.62633%0.329SS*.EExtended strand (participates in β ladder)trans-109.4112.1177.6-76.5-34.9000109.9K55 Q56N51-K55 WeakPolarHBondContact CA-O 3.39Å; N51-Q56 WeakPolarHBondContact OD1-CA 3.3Å; N51-Q56 VanDerWaalsContact OD1-CB 3.3Å; N51-Q56 WeakPolarHBondContact OD1-CB 3.33Å
52V83.1Confident85.4Confident21 Ų2157.5 Ų57.513%0.12734%0.337CS..EExtended strand (participates in β ladder)trans-128.5126.4178.7-179.40000109.2G54 K55 Y57 I179 I180V52-G54 PolarHBondContact O-N 2.75Å; V52-K55 PolarHBondContact N-O 2.76Å; V52-K55 PolarHBondContact O-N 2.83Å; V52-K55 VanDerWaalsContact O-N 3.13Å; V52-Y57 HydrophobicContact CB-CD2 4.5Å; V52-Y57 HydrophobicContact CB-CE2 4.33Å; V52-I179 HydrophobicContact CB-CG2 3.96Å; V52-I179 HydrophobicContact CG1-CG2 4.07Å; V52-I179 HydrophobicContact CG2-CB 4.17Å; V52-I179 HydrophobicContact CG2-CD1 3.54Å; V52-I179 HydrophobicContact CG2-CG1 4.47Å; V52-I179 HydrophobicContact CG2-CG2 3.89Å; V52-I180 HydrophobicContact CG1-CG1 4.44Å
53G80.4Confident86.6Confident83 Ų8354.2 Ų54.286%0.85632%0.318SS*.THydrogen-bonded Turntrans59.830.6-179.600000114.2K55G53-K55 VanDerWaalsContact C-N 3.28Å; G53-K55 PolarHBondContact O-N 2.89Å
54G83.1Confident88.2Confident81 Ų8150.8 Ų50.884%0.83530%0.303SS*.THydrogen-bonded Turntrans767.9-178.800000115.1V52V52-G54 PolarHBondContact O-N 2.75Å
55K85.4Confident89Confident137 Ų13747.4 Ų47.460%0.59629%0.285SS*.EExtended strand (participates in β ladder)trans-113.8142.3174.1-69.1-179.5179.91790110.6N51 V52 G53 Y57N51-K55 WeakPolarHBondContact CA-O 3.39Å; V52-K55 PolarHBondContact N-O 2.76Å; V52-K55 PolarHBondContact O-N 2.83Å; V52-K55 VanDerWaalsContact O-N 3.13Å; G53-K55 VanDerWaalsContact C-N 3.28Å; G53-K55 PolarHBondContact O-N 2.89Å; K55-Y57 HydrophobicContact CB-CE2 3.63Å; K55-Y57 WeakPolarHBondContact O-CD2 3.15Å; K55-Y57 WeakPolarHBondContact O-CE2 3.35Å
56Q88.4Confident89.4Confident103 Ų10343.7 Ų43.748%0.48127%0.271SS..EExtended strand (participates in β ladder)trans-90.9134.8176.4-168.3175.51.600110.6T7 V50 N51T7-Q56 HydrophobicContact CG2-CG 4.46Å; V50-Q56 CarbonylContact O-C 3.58Å; V50-Q56 WeakPolarHBondContact O-CA 3.34Å; N51-Q56 WeakPolarHBondContact OD1-CA 3.3Å; N51-Q56 VanDerWaalsContact OD1-CB 3.3Å; N51-Q56 WeakPolarHBondContact OD1-CB 3.33Å
57Y91.1Very high89.6Confident20 Ų2043.7 Ų43.78%0.07827%0.273CS..EExtended strand (participates in β ladder)trans-127.9156.2175.9-56.8-90.6000109.7L8 L10 S49 V50 V52 K55 I179 L183L8-Y57 HydrophobicContact CB-CD1 3.96Å; L8-Y57 HydrophobicContact CB-CE1 4.33Å; L8-Y57 HydrophobicContact CD2-CD1 4.07Å; L8-Y57 HydrophobicContact CD2-CE1 3.91Å; L8-Y57 HydrophobicContact CG-CD1 4.37Å; L10-Y57 HydrophobicContact CD1-CD1 3.88Å; L10-Y57 HydrophobicContact CD1-CG 4.11Å; L10-Y57 HydrophobicContact CG-CD1 4.28Å; S49-Y57 WeakPolarHBondContact CA-O 3.12Å; V50-Y57 PolarHBondContact N-O 3Å; V50-Y57 PolarHBondContact O-N 2.75Å; V52-Y57 HydrophobicContact CB-CD2 4.5Å; V52-Y57 HydrophobicContact CB-CE2 4.33Å; K55-Y57 HydrophobicContact CB-CE2 3.63Å; K55-Y57 WeakPolarHBondContact O-CD2 3.15Å; K55-Y57 WeakPolarHBondContact O-CE2 3.35Å; Y57-I179 HydrophobicContact CD2-CG2 4.44Å; Y57-L183 HydrophobicContact CE1-CD1 4.38Å; Y57-L183 HydrophobicContact CE1-CD2 3.91Å; Y57-L183 HydrophobicContact CE2-CD1 4.13Å; Y57-L183 WeakPolarHBondContact OH-CD1 3.45Å
58L93.7Very high89.5Confident52 Ų5249 Ų4927%0.27229%0.289SS..EExtended strand (participates in β ladder)trans-105.5108.4168.6-173.969.5000107.8T7 L8 M9 L10 A47T7-L58 HydrophobicContact CG2-CB 4.01Å; L8-L58 PolarHBondContact O-N 3.18Å; M9-L58 CarbonylContact C-O 3.58Å; M9-L58 WeakPolarHBondContact CA-O 3.4Å; M9-L58 HydrophobicContact CE-CD2 4.04Å; M9-L58 HydrophobicContact CG-CD2 4.28Å; M9-L58 HydrophobicContact SD-CD2 4.36Å; L10-L58 PolarHBondContact N-O 3.27Å; A47-L58 HydrophobicContact CB-CD1 4.02Å; A47-L58 HydrophobicContact CB-CG 4.25Å
59L94.8Very high89.5Confident0 Ų055.1 Ų55.10%032%0.321CS..EExtended strand (participates in β ladder)trans-93.9109.5-179.8-174.666.1000109.6L10 C12 A47 V48 V50 L61 F175 I179L10-L59 HydrophobicContact CB-CD1 3.85Å; C12-L59 HydrophobicContact CB-CD1 3.85Å; C12-L59 HydrophobicContact CB-CG 4.39Å; A47-L59 WeakPolarHBondContact CA-O 3.37Å; V48-L59 HydrophobicContact CG2-CB 3.99Å; V48-L59 PolarHBondContact N-O 3.47Å; V48-L59 PolarHBondContact O-N 3.12Å; V50-L59 HydrophobicContact CG1-CB 4.49Å; V50-L59 HydrophobicContact CG2-CB 4.1Å; L59-L61 HydrophobicContact CD2-CD2 3.76Å; L59-L61 HydrophobicContact CG-CD2 3.86Å; L59-F175 HydrophobicContact CD2-CB 4.33Å; L59-F175 HydrophobicContact CD2-CD1 3.82Å; L59-F175 HydrophobicContact CD2-CG 4.44Å; L59-I179 HydrophobicContact CD1-CG1 4.5Å; L59-I179 HydrophobicContact CD2-CD1 4.37Å; L59-I179 HydrophobicContact CD2-CG1 4.45Å
60G95.9Very high89.5Confident0 Ų054.4 Ų54.40%031%0.306CS..EExtended strand (participates in β ladder)trans-77.7122.3168.400000110.4L10 C12 Y46L10-G60 PolarHBondContact O-N 2.94Å; C12-G60 PolarHBondContact N-O 3.43Å; Y46-G60 CarbonylContact O-C 3.57Å; Y46-G60 WeakPolarHBondContact O-CA 3.23Å
61L95.2Very high89.6Confident0 Ų057.1 Ų57.10%032%0.32CS..EExtended strand (participates in β ladder)trans-106.5114.8-178.3-58.6175.6000108.4C12 L26 Y29 H45 Y46 V48 L59 F175C12-L61 HydrophobicContact CB-CD2 4.28Å; L26-L61 HydrophobicContact CD2-CB 3.87Å; L26-L61 HydrophobicContact CD2-CD1 4.15Å; L26-L61 HydrophobicContact CD2-CD2 3.98Å; L26-L61 HydrophobicContact CD2-CG 4.22Å; Y29-L61 HydrophobicContact CD1-CD1 4.04Å; H45-L61 WeakPolarHBondContact CA-O 3.48Å; Y46-L61 PolarHBondContact N-O 3.41Å; Y46-L61 PolarHBondContact O-N 2.93Å; V48-L61 HydrophobicContact CG1-CD1 4.27Å; V48-L61 HydrophobicContact CG2-CD1 4.07Å; V48-L61 HydrophobicContact CG2-CG 4.46Å; L59-L61 HydrophobicContact CD2-CD2 3.76Å; L59-L61 HydrophobicContact CG-CD2 3.86Å; L61-F175 HydrophobicContact CD2-CD1 3.98Å; L61-F175 HydrophobicContact CD2-CE1 3.5Å; L61-F175 VanDerWaalsContact CD2-CE1 3.5Å; L61-F175 HydrophobicContact CD2-CZ 4.37Å
62Y95.9Very high89.9Confident62 Ų6262.8 Ų62.824%0.24333%0.333CS..EExtended strand (participates in β ladder)trans-108.3107.2-178.6-70.2-104.8000108.9K11 C12 V13 V14 H45K11-Y62 HydrophobicContact CB-CE2 4.26Å; K11-Y62 HydrophobicContact CD-CD2 4.09Å; K11-Y62 HydrophobicContact CD-CE1 4.48Å; K11-Y62 HydrophobicContact CD-CE2 3.63Å; K11-Y62 HydrophobicContact CG-CD2 3.68Å; K11-Y62 HydrophobicContact CG-CE2 3.48Å; K11-Y62 VanDerWaalsContact CG-CE2 3.48Å; C12-Y62 PolarHBondContact O-N 3.25Å; V13-Y62 HydrophobicContact CG2-CG 4.26Å; V14-Y62 PolarHBondContact N-O 3.29Å; H45-Y62 AromaticContact CD2-CD2 3.79Å; H45-Y62 AromaticContact CD2-CE1 3.75Å; H45-Y62 AromaticContact CD2-CE2 3.37Å; H45-Y62 WeakPolarHBondContact CD2-CE2 3.33Å; H45-Y62 AromaticContact CD2-CZ 3.35Å; H45-Y62 AromaticContact NE2-CE2 3.71Å; H45-Y62 AromaticContact NE2-CZ 3.77Å
63D94.1Very high90.3Very high1 Ų165.7 Ų65.71%0.00535%0.347CS..EExtended strand (participates in β ladder)trans-82.1139.3174.3-161.711.3000110T23 L26 T41 D44T23-D63 VanDerWaalsContact CA-OD2 3.3Å; T23-D63 WeakPolarHBondContact CA-OD2 3.18Å; T23-D63 WeakPolarHBondContact CB-OD2 3.37Å; T23-D63 WeakPolarHBondContact CG2-OD2 3.32Å; T23-D63 PolarHBondContact OG1-OD2 2.98Å; L26-D63 HydrophobicContact CD1-CB 3.42Å; L26-D63 VanDerWaalsContact CD1-CB 3.42Å; T41-D63 WeakPolarHBondContact CB-OD2 3.36Å; T41-D63 HydrophobicContact CG2-CB 3.98Å; T41-D63 WeakPolarHBondContact CG2-OD2 3.43Å; T41-D63 PolarHBondContact OG1-OD2 3.41Å; D44-D63 HydrophobicContact CB-CB 4.31Å; D44-D63 PolarHBondContact O-N 3.04Å
64T94.2Very high91Very high1 Ų161.8 Ų61.81%0.00631%0.307CS..EExtended strand (participates in β ladder)trans-129.8146.8179.673.90000112V13 V14 K22 F43 R74V13-T64 HydrophobicContact CG1-CG2 3.84Å; V14-T64 PolarHBondContact O-OG1 2.6Å; K22-T64 WeakPolarHBondContact CE-O 3.48Å; F43-T64 HydrophobicContact CD1-CG2 4.4Å; F43-T64 HydrophobicContact CE1-CG2 4.09Å; T64-R74 HydrophobicContact CG2-CG 4.28Å
65A90.5Very high91.6Very high3 Ų358.6 Ų58.63%0.02527%0.272CS..  trans-62.8136.1172.200000111.3T41 Y70 R74T41-A65 WeakPolarHBondContact O-CB 3.5Å; A65-Y70 HydrophobicContact CB-CD1 4.14Å; A65-Y70 HydrophobicContact CB-CD2 3.43Å; A65-Y70 VanDerWaalsContact CB-CD2 3.43Å; A65-Y70 HydrophobicContact CB-CE2 4.08Å; A65-Y70 HydrophobicContact CB-CG 3.46Å; A65-Y70 VanDerWaalsContact CB-CG 3.46Å; A65-R74 PolarHBondContact O-NE 3.42Å; A65-R74 PolarHBondContact O-NH2 3.35Å
66G87.1Confident92Very high11 Ų1158.2 Ų58.211%0.11328%0.275CS..  trans-100.51.9-179.800000114.5G16 G18G16-G66 WeakPolarHBondContact O-CA 3.41Å; G18-G66 PolarHBondContact N-O 3.15Å; G18-G66 VanDerWaalsContact N-O 3.16Å
67Q86.9Confident92.4Very high62 Ų6254.1 Ų54.129%0.2926%0.258SS..SBendtrans-86.6147176.7-53.486.5-15.800110.4D69 Y70 R74Q67-D69 PolarHBondContact O-N 2.87Å; Q67-Y70 HydrophobicContact CB-CD2 4.11Å; Q67-Y70 HydrophobicContact CB-CE2 4.49Å; Q67-Y70 PolarHBondContact O-N 3.2Å; Q67-Y70 VanDerWaalsContact O-N 3.08Å; Q67-R74 PolarHBondContact O-NH2 2.86Å
68E85.6Confident92.7Very high164 Ų16453.7 Ų53.777%0.76626%0.256SS*.G310 helixtrans-58.5-30.2179-64.6175.5-168.200112.8Y70 D71E68-Y70 PolarHBondContact O-N 3.12Å; E68-D71 WeakPolarHBondContact CA-OD1 3.37Å; E68-D71 WeakPolarHBondContact O-CB 3.36Å; E68-D71 PolarHBondContact O-N 3.41Å
69D90.4Very high92.8Very high149 Ų14955.1 Ų55.180%0.79727%0.269SS*.G310 helixtrans-54.2-21.7175.7-67.4-35.5000113.2Q67Q67-D69 PolarHBondContact O-N 2.87Å
70Y89.9Confident92.8Very high67 Ų6763.4 Ų63.426%0.26331%0.31SS..G310 helixtrans-106.35.9-178.7-60.8-83.6000114.3V42 A65 Q67 E68 R72 L73 R74V42-Y70 HydrophobicContact CB-CE1 4.44Å; V42-Y70 HydrophobicContact CG1-CD1 4.27Å; V42-Y70 HydrophobicContact CG1-CE1 3.78Å; V42-Y70 HydrophobicContact CG2-CE1 4.17Å; A65-Y70 HydrophobicContact CB-CD1 4.14Å; A65-Y70 HydrophobicContact CB-CD2 3.43Å; A65-Y70 VanDerWaalsContact CB-CD2 3.43Å; A65-Y70 HydrophobicContact CB-CE2 4.08Å; A65-Y70 HydrophobicContact CB-CG 3.46Å; A65-Y70 VanDerWaalsContact CB-CG 3.46Å; Q67-Y70 HydrophobicContact CB-CD2 4.11Å; Q67-Y70 HydrophobicContact CB-CE2 4.49Å; Q67-Y70 PolarHBondContact O-N 3.2Å; Q67-Y70 VanDerWaalsContact O-N 3.08Å; E68-Y70 PolarHBondContact O-N 3.12Å; Y70-R72 PolarHBondContact O-N 3.08Å; Y70-R72 VanDerWaalsContact O-N 3.12Å; Y70-L73 HydrophobicContact CD1-CD1 4.15Å; Y70-L73 PolarHBondContact O-N 3.41Å; Y70-R74 WeakPolarHBondContact O-CB 3.02Å; Y70-R74 PolarHBondContact O-N 2.99Å
71D90.4Very high92.9Very high65 Ų6564 Ų6435%0.34831%0.313SS..THydrogen-bonded Turntrans-56.7-32.9-175.8-72.8-13000113.7E68 R74 P75E68-D71 WeakPolarHBondContact CA-OD1 3.37Å; E68-D71 WeakPolarHBondContact O-CB 3.36Å; E68-D71 PolarHBondContact O-N 3.41Å; D71-R74 IonicContact OD1-CZ 3.5Å; D71-R74 IonicContact OD1-NH1 3.42Å; D71-R74 PolarHBondContact OD1-NH1 3.04Å; D71-R74 IonicContact OD1-NH2 2.72Å; D71-R74 PolarHBondContact OD1-NH2 3.16Å; D71-P75 WeakPolarHBondContact O-CD 3.44Å; D71-P75 WeakPolarHBondContact O-CG 3.4Å
72R91.5Very high93.1Very high236 Ų23666.8 Ų66.889%0.89133%0.328SS*.THydrogen-bonded Turntrans-80.3-22177.8-64.2-175.1179.4-177.61113.6Y70Y70-R72 PolarHBondContact O-N 3.08Å; Y70-R72 VanDerWaalsContact O-N 3.12Å
73L92.3Very high93.2Very high82 Ų8263.8 Ų63.843%0.42932%0.316SS..THydrogen-bonded Turntrans-94.2-35.6-177.5-64.3177000111.4F43 Y70 P75 L76F43-L73 HydrophobicContact CE2-CB 4.11Å; F43-L73 HydrophobicContact CZ-CB 4.29Å; F43-L73 WeakPolarHBondContact CZ-O 3.38Å; Y70-L73 HydrophobicContact CD1-CD1 4.15Å; Y70-L73 PolarHBondContact O-N 3.41Å; L73-P75 VanDerWaalsContact C-CD 3.49Å; L73-L76 HydrophobicContact CD2-CD1 4.12Å; L73-L76 VanDerWaalsContact O-CB 3.22Å; L73-L76 WeakPolarHBondContact O-CB 3.46Å; L73-L76 VanDerWaalsContact O-CG 3.32Å; L73-L76 WeakPolarHBondContact O-CG 3.43Å; L73-L76 PolarHBondContact O-N 2.97Å
74R95.1Very high93.4Very high1 Ų163.8 Ų63.80%0.00432%0.316CS..G310 helixtrans-50.6-45.3-179.1-164.6-169.9-57114.97.4113.2T64 A65 Q67 Y70 D71 L76 S77 Y78 E106T64-R74 HydrophobicContact CG2-CG 4.28Å; A65-R74 PolarHBondContact O-NE 3.42Å; A65-R74 PolarHBondContact O-NH2 3.35Å; Q67-R74 PolarHBondContact O-NH2 2.86Å; Y70-R74 WeakPolarHBondContact O-CB 3.02Å; Y70-R74 PolarHBondContact O-N 2.99Å; D71-R74 IonicContact OD1-CZ 3.5Å; D71-R74 IonicContact OD1-NH1 3.42Å; D71-R74 PolarHBondContact OD1-NH1 3.04Å; D71-R74 IonicContact OD1-NH2 2.72Å; D71-R74 PolarHBondContact OD1-NH2 3.16Å; R74-L76 PolarHBondContact O-N 3.12Å; R74-L76 VanDerWaalsContact O-N 3.08Å; R74-S77 WeakPolarHBondContact O-CB 3.4Å; R74-S77 PolarHBondContact O-N 2.77Å; R74-Y78 WeakPolarHBondContact CD-OH 3.36Å; R74-Y78 HydrophobicContact CG-CE1 4.18Å; R74-Y78 VanDerWaalsContact CG-OH 3.3Å; R74-Y78 WeakPolarHBondContact CG-OH 3.46Å; R74-E106 IonicContact NH1-OE1 2.8Å; R74-E106 IonicContact NH1-OE2 3.71Å; R74-E106 PolarHBondContact NH1-OE2 3.28Å
75P95.8Very high93.6Very high15 Ų1563.8 Ų63.810%0.09732%0.316CS..G310 helixtrans-63.7-18.2-179.2-24.936.5000114.8D71 L73 S77 Y78 P79 Y110D71-P75 WeakPolarHBondContact O-CD 3.44Å; D71-P75 WeakPolarHBondContact O-CG 3.4Å; L73-P75 VanDerWaalsContact C-CD 3.49Å; P75-S77 PolarHBondContact O-N 2.91Å; P75-Y78 HydrophobicContact CB-CD2 4.04Å; P75-Y78 HydrophobicContact CB-CE2 4.18Å; P75-Y78 HydrophobicContact CG-CE2 4.33Å; P75-Y78 WeakPolarHBondContact O-CB 3.24Å; P75-Y78 PolarHBondContact O-N 2.86Å; P75-P79 WeakPolarHBondContact O-CD 3.35Å; P75-Y110 HydrophobicContact CB-CD1 3.75Å; P75-Y110 HydrophobicContact CB-CD2 4.24Å; P75-Y110 HydrophobicContact CB-CE1 3.66Å; P75-Y110 HydrophobicContact CB-CE2 4.19Å; P75-Y110 HydrophobicContact CB-CG 4.05Å; P75-Y110 HydrophobicContact CG-CD1 4.39Å; P75-Y110 HydrophobicContact CG-CD2 4.17Å; P75-Y110 HydrophobicContact CG-CE1 3.99Å; P75-Y110 HydrophobicContact CG-CE2 3.78Å; P75-Y110 HydrophobicContact CG-CG 4.47Å
76L94.3Very high94Very high129 Ų12963.6 Ų63.668%0.67532%0.315SS*.G310 helixtrans-63.9-20.4174.7-57.1178.1000112.3L73 R74 P79L73-L76 HydrophobicContact CD2-CD1 4.12Å; L73-L76 VanDerWaalsContact O-CB 3.22Å; L73-L76 WeakPolarHBondContact O-CB 3.46Å; L73-L76 VanDerWaalsContact O-CG 3.32Å; L73-L76 WeakPolarHBondContact O-CG 3.43Å; L73-L76 PolarHBondContact O-N 2.97Å; R74-L76 PolarHBondContact O-N 3.12Å; R74-L76 VanDerWaalsContact O-N 3.08Å; L76-P79 WeakPolarHBondContact O-CD 3.14Å
77S95.3Very high94.6Very high17 Ų1763.1 Ų63.112%0.11931%0.31CS..G310 helixtrans-83.4-11.4175.2-720000113.9K11 F43 R74 P75K11-S77 WeakPolarHBondContact CE-O 3.48Å; K11-S77 PolarHBondContact NZ-O 3.22Å; F43-S77 VanDerWaalsContact CD1-OG 3.28Å; F43-S77 WeakPolarHBondContact CD1-OG 3.43Å; F43-S77 WeakPolarHBondContact CE1-OG 3.32Å; R74-S77 WeakPolarHBondContact O-CB 3.4Å; R74-S77 PolarHBondContact O-N 2.77Å; P75-S77 PolarHBondContact O-N 2.91Å
78Y97.1Very high95.1Very high10 Ų1060.1 Ų60.14%0.03930%0.296CS..  trans-80.7-27.2-171.6-60.5-9.4000116.9V13 V15 R74 P75 M80 T81 F84 E106 L107 Y110V13-Y78 HydrophobicContact CG1-CD1 4.09Å; V13-Y78 HydrophobicContact CG1-CE1 3.98Å; V15-Y78 HydrophobicContact CG1-CE1 3.99Å; V15-Y78 WeakPolarHBondContact CG1-OH 3.35Å; R74-Y78 WeakPolarHBondContact CD-OH 3.36Å; R74-Y78 HydrophobicContact CG-CE1 4.18Å; R74-Y78 VanDerWaalsContact CG-OH 3.3Å; R74-Y78 WeakPolarHBondContact CG-OH 3.46Å; P75-Y78 HydrophobicContact CB-CD2 4.04Å; P75-Y78 HydrophobicContact CB-CE2 4.18Å; P75-Y78 HydrophobicContact CG-CE2 4.33Å; P75-Y78 WeakPolarHBondContact O-CB 3.24Å; P75-Y78 PolarHBondContact O-N 2.86Å; Y78-M80 PolarHBondContact O-N 3.19Å; Y78-T81 VanDerWaalsContact O-CB 3.32Å; Y78-T81 WeakPolarHBondContact O-CB 3.21Å; Y78-T81 PolarHBondContact O-N 3.03Å; Y78-T81 VanDerWaalsContact O-N 3.16Å; Y78-T81 PolarHBondContact O-OG1 3.08Å; Y78-F84 AromaticContact CD1-CE1 3.51Å; Y78-F84 HydrophobicContact CD1-CE1 3.51Å; Y78-F84 AromaticContact CD1-CZ 3.93Å; Y78-F84 HydrophobicContact CD1-CZ 3.93Å; Y78-F84 AromaticContact CE1-CE1 3.77Å; Y78-F84 HydrophobicContact CE1-CE1 3.77Å; Y78-F84 AromaticContact CG-CE1 3.98Å; Y78-F84 HydrophobicContact CG-CE1 3.98Å; Y78-F84 AromaticContact CG-CZ 3.92Å; Y78-F84 HydrophobicContact CG-CZ 3.92Å; Y78-E106 HydrophobicContact CE2-CG 4.39Å; Y78-E106 WeakPolarHBondContact CE2-OE1 3.34Å; Y78-E106 VanDerWaalsContact CZ-OE1 3.25Å; Y78-E106 PolarHBondContact OH-OE1 3.29Å; Y78-L107 HydrophobicContact CE2-CD2 4.14Å; Y78-Y110 HydrophobicContact CD2-CD2 4.49Å; Y78-Y110 HydrophobicContact CD2-CG 4.15Å; Y78-Y110 HydrophobicContact CE2-CD2 4.39Å; Y78-Y110 HydrophobicContact CE2-CG 4.5Å
79P96.7Very high95.8Very high82 Ų8252.4 Ų52.453%0.53226%0.26SS..THydrogen-bonded Turntrans-52.9136.1178.2-29.536.6000112.5K11 P75 L76 T81K11-P79 PolarHBondContact NZ-O 2.85Å; P75-P79 WeakPolarHBondContact O-CD 3.35Å; L76-P79 WeakPolarHBondContact O-CD 3.14Å; P79-T81 PolarHBondContact O-N 2.88Å
80M95.3Very high96.2Very high175 Ų17545.3 Ų45.386%0.86222%0.222SC*.THydrogen-bonded Turntrans60.924.5179.3-50.4179.6177.300114.8Y78Y78-M80 PolarHBondContact O-N 3.19Å
81T98Very high96.6Very high11 Ų1143 Ų437%0.06722%0.215CC..  trans-72.5132.8173.7-58.40000111.1V13 Y78 P79 V83 F84 V114V13-T81 HydrophobicContact CB-CG2 4Å; V13-T81 HydrophobicContact CG2-CG2 3.67Å; V13-T81 VanDerWaalsContact CG2-OG1 3.24Å; V13-T81 WeakPolarHBondContact CG2-OG1 3.14Å; Y78-T81 VanDerWaalsContact O-CB 3.32Å; Y78-T81 WeakPolarHBondContact O-CB 3.21Å; Y78-T81 PolarHBondContact O-N 3.03Å; Y78-T81 VanDerWaalsContact O-N 3.16Å; Y78-T81 PolarHBondContact O-OG1 3.08Å; P79-T81 PolarHBondContact O-N 2.88Å; T81-V83 WeakPolarHBondContact CG2-O 3.28Å; T81-F84 HydrophobicContact CG2-CD1 4.18Å; T81-F84 HydrophobicContact CG2-CD2 3.9Å; T81-F84 HydrophobicContact CG2-CE1 3.93Å; T81-F84 HydrophobicContact CG2-CE2 3.62Å; T81-F84 HydrophobicContact CG2-CG 4.16Å; T81-F84 HydrophobicContact CG2-CZ 3.65Å; T81-V114 HydrophobicContact CG2-CG1 4.14Å; T81-V114 WeakPolarHBondContact O-CG1 3.29Å; T81-V114 WeakPolarHBondContact O-CG2 3.09Å
82D97.8Very high97Very high59 Ų5942.7 Ų42.732%0.31621%0.213SC..SBendtrans-90.7-32.2177.1-62.2-58.7000112L10 K11 P115 I182L10-D82 WeakPolarHBondContact CA-OD2 3.3Å; K11-D82 PolarHBondContact N-OD2 2.98Å; K11-D82 WeakPolarHBondContact O-CB 3.39Å; K11-D82 PolarHBondContact O-N 3.13Å; D82-P115 WeakPolarHBondContact O-CD 3.3Å; D82-P115 WeakPolarHBondContact O-CG 3.17Å; D82-I182 HydrophobicContact CB-CD1 3.67Å; D82-I182 HydrophobicContact CB-CG1 3.8Å; D82-I182 HydrophobicContact CB-CG2 4.01Å
83V98.3Very high97.3Very high0 Ų032.1 Ų32.10%018%0.175CC..EExtended strand (participates in β ladder)trans-152.6147176.669.50000111.9K11 C12 V13 T81 P115 L117 A178 A181 I182K11-V83 PolarHBondContact O-N 2.97Å; C12-V83 WeakPolarHBondContact CA-O 3.38Å; C12-V83 HydrophobicContact CB-CG1 3.87Å; V13-V83 PolarHBondContact N-O 2.96Å; V13-V83 VanDerWaalsContact N-O 3.08Å; T81-V83 WeakPolarHBondContact CG2-O 3.28Å; V83-P115 WeakPolarHBondContact CA-O 3.32Å; V83-P115 HydrophobicContact CG2-CG 4.38Å; V83-L117 HydrophobicContact CG2-CD1 3.66Å; V83-A178 HydrophobicContact CG1-CB 4.07Å; V83-A178 HydrophobicContact CG2-CB 4.47Å; V83-A181 HydrophobicContact CG2-CB 4.42Å; V83-I182 HydrophobicContact CB-CD1 4.01Å; V83-I182 HydrophobicContact CB-CG1 3.72Å; V83-I182 HydrophobicContact CG1-CD1 3.64Å; V83-I182 HydrophobicContact CG1-CG1 3.94Å
84F98.7Very high97.6Very high1 Ų130.6 Ų30.60%0.00417%0.174CC..EExtended strand (participates in β ladder)trans-107.2147.5168.5-67.4-88.5000112.4V13 V15 Y78 T81 L107 A111 V114 P115 Y116 L117V13-F84 HydrophobicContact CB-CD1 3.66Å; V13-F84 HydrophobicContact CB-CE1 3.65Å; V13-F84 HydrophobicContact CG1-CD1 3.93Å; V13-F84 HydrophobicContact CG1-CE1 3.77Å; V13-F84 HydrophobicContact CG2-CE1 4.26Å; V13-F84 CarbonylContact O-C 3.4Å; V13-F84 VanDerWaalsContact O-CA 3.29Å; V13-F84 WeakPolarHBondContact O-CA 3.39Å; V15-F84 HydrophobicContact CG1-CD1 4.43Å; Y78-F84 AromaticContact CD1-CE1 3.51Å; Y78-F84 HydrophobicContact CD1-CE1 3.51Å; Y78-F84 AromaticContact CD1-CZ 3.93Å; Y78-F84 HydrophobicContact CD1-CZ 3.93Å; Y78-F84 AromaticContact CE1-CE1 3.77Å; Y78-F84 HydrophobicContact CE1-CE1 3.77Å; Y78-F84 AromaticContact CG-CE1 3.98Å; Y78-F84 HydrophobicContact CG-CE1 3.98Å; Y78-F84 AromaticContact CG-CZ 3.92Å; Y78-F84 HydrophobicContact CG-CZ 3.92Å; T81-F84 HydrophobicContact CG2-CD1 4.18Å; T81-F84 HydrophobicContact CG2-CD2 3.9Å; T81-F84 HydrophobicContact CG2-CE1 3.93Å; T81-F84 HydrophobicContact CG2-CE2 3.62Å; T81-F84 HydrophobicContact CG2-CG 4.16Å; T81-F84 HydrophobicContact CG2-CZ 3.65Å; F84-L107 HydrophobicContact CB-CD1 3.74Å; F84-L107 HydrophobicContact CD1-CD1 4.2Å; F84-L107 HydrophobicContact CD1-CD2 3.63Å; F84-L107 HydrophobicContact CD2-CD1 4.16Å; F84-L107 HydrophobicContact CD2-CD2 4.15Å; F84-L107 HydrophobicContact CE1-CD2 3.61Å; F84-L107 HydrophobicContact CE2-CD2 4.13Å; F84-L107 HydrophobicContact CG-CD1 3.79Å; F84-L107 HydrophobicContact CG-CD2 3.91Å; F84-L107 HydrophobicContact CZ-CD2 3.87Å; F84-A111 HydrophobicContact CE2-CB 3.52Å; F84-A111 HydrophobicContact CZ-CB 3.85Å; F84-V114 HydrophobicContact CD2-CB 3.96Å; F84-V114 HydrophobicContact CD2-CG1 3.55Å; F84-V114 HydrophobicContact CE2-CB 3.77Å; F84-V114 HydrophobicContact CE2-CG1 3.61Å; F84-V114 HydrophobicContact CE2-CG2 4.2Å; F84-P115 PolarHBondContact N-O 2.68Å; F84-Y116 CarbonylContact O-C 3.46Å; F84-Y116 WeakPolarHBondContact O-CA 3.35Å; F84-L117 PolarHBondContact O-N 3.31Å
85L98.8Very high97.8Very high0 Ų030.5 Ų30.50%017%0.174CC..EExtended strand (participates in β ladder)trans-107.9117.9162.6-55.8-175.4000108.2V13 V14 V15 L25 L117 I119 V174 F175 A178V13-L85 PolarHBondContact O-N 2.72Å; V14-L85 HydrophobicContact CG1-CB 4.19Å; V14-L85 HydrophobicContact CG2-CB 4.24Å; V14-L85 HydrophobicContact CG2-CD1 4.04Å; V14-L85 HydrophobicContact CG2-CG 4.4Å; V15-L85 PolarHBondContact N-O 2.77Å; L25-L85 HydrophobicContact CD2-CD1 4.39Å; L85-L117 HydrophobicContact CD2-CB 3.94Å; L85-L117 HydrophobicContact CD2-CD2 4.25Å; L85-L117 HydrophobicContact CD2-CG 4.47Å; L85-I119 HydrophobicContact CB-CG1 4.05Å; L85-I119 HydrophobicContact CD2-CD1 4.21Å; L85-I119 HydrophobicContact CD2-CG1 4.17Å; L85-V174 HydrophobicContact CD1-CG1 3.7Å; L85-V174 HydrophobicContact CD2-CG1 4.26Å; L85-F175 HydrophobicContact CD1-CE1 4.05Å; L85-A178 HydrophobicContact CD2-CB 4.12Å
86I98.8Very high97.9Very high0 Ų030.6 Ų30.60%017%0.173CC..EExtended strand (participates in β ladder)trans-94.5110.5170.5-51176.6000107.6V15 V99 W103 V104 L107 Y116 L117 L118 I119V15-I86 HydrophobicContact CG2-CB 4.41Å; V15-I86 HydrophobicContact CG2-CG1 4.04Å; V15-I86 HydrophobicContact CG2-CG2 4.48Å; I86-V99 HydrophobicContact CG2-CG1 4.13Å; I86-V99 HydrophobicContact CG2-CG2 4.22Å; I86-W103 HydrophobicContact CG2-CB 3.71Å; I86-W103 HydrophobicContact CG2-CG 4.21Å; I86-V104 HydrophobicContact CD1-CG2 3.85Å; I86-L107 HydrophobicContact CD1-CD1 3.8Å; I86-L107 HydrophobicContact CG1-CD1 3.78Å; I86-Y116 HydrophobicContact CD1-CD2 3.69Å; I86-Y116 HydrophobicContact CD1-CE2 4.2Å; I86-Y116 HydrophobicContact CD1-CG 4.03Å; I86-L117 PolarHBondContact N-O 2.75Å; I86-L118 HydrophobicContact CB-CD1 4.49Å; I86-I119 PolarHBondContact O-N 3.01Å
87C98.9Very high98.1Very high0 Ų028.9 Ų28.90%016%0.161CC..EExtended strand (participates in β ladder)trans-99.4137.8-177.1-66.40000111.9V14 V15 G16 V20 K22 I119 T121V14-C87 VanDerWaalsContact CG1-SG 3.54Å; V15-C87 PolarHBondContact O-N 3.28Å; G16-C87 WeakPolarHBondContact CA-O 3.21Å; V20-C87 HydrophobicContact CG2-CB 3.93Å; K22-C87 HydrophobicContact CG-CB 4.01Å; C87-I119 WeakPolarHBondContact CA-O 3.45Å; C87-T121 HydrophobicContact CB-CG2 4.15Å
88F98.9Very high98.2Very high0 Ų030.1 Ų30.10%017%0.166CC..EExtended strand (participates in β ladder)trans-135.1154.3163.774.5-87.3000109V90 S95 F96 V99 L118 I119 T121 I143 Y160F88-V90 HydrophobicContact CE2-CG1 4.02Å; F88-V90 HydrophobicContact CZ-CG1 4.46Å; F88-S95 WeakPolarHBondContact CB-O 3.36Å; F88-F96 HydrophobicContact CD1-CD2 4.16Å; F88-F96 HydrophobicContact CD2-CB 3.86Å; F88-F96 AromaticContact CD2-CD2 3.75Å; F88-F96 HydrophobicContact CD2-CD2 3.75Å; F88-F96 HydrophobicContact CD2-CG 4.3Å; F88-F96 AromaticContact CE1-CD2 3.87Å; F88-F96 HydrophobicContact CE1-CD2 3.87Å; F88-F96 HydrophobicContact CE1-CE2 4.24Å; F88-F96 HydrophobicContact CE2-CB 4.27Å; F88-F96 AromaticContact CE2-CD2 3.48Å; F88-F96 HydrophobicContact CE2-CD2 3.48Å; F88-F96 VanDerWaalsContact CE2-CD2 3.48Å; F88-F96 HydrophobicContact CE2-CE2 4.24Å; F88-F96 HydrophobicContact CE2-CG 4.29Å; F88-F96 HydrophobicContact CG-CB 4.33Å; F88-F96 HydrophobicContact CG-CD2 4.09Å; F88-F96 AromaticContact CZ-CD2 3.53Å; F88-F96 HydrophobicContact CZ-CD2 3.53Å; F88-F96 AromaticContact CZ-CE2 3.9Å; F88-F96 HydrophobicContact CZ-CE2 3.9Å; F88-V99 HydrophobicContact CB-CG2 3.96Å; F88-V99 HydrophobicContact CD1-CG2 4.14Å; F88-V99 HydrophobicContact CG-CG2 4.34Å; F88-L118 HydrophobicContact CD1-CD1 3.77Å; F88-L118 HydrophobicContact CD1-CG 4.27Å; F88-L118 HydrophobicContact CE1-CD1 3.92Å; F88-L118 HydrophobicContact CE1-CD2 4.13Å; F88-L118 HydrophobicContact CE1-CG 3.9Å; F88-I119 WeakPolarHBondContact CD1-O 3.48Å; F88-I119 PolarHBondContact N-O 2.72Å; F88-T121 PolarHBondContact O-N 3.42Å; F88-T121 PolarHBondContact O-OG1 2.91Å; F88-I143 HydrophobicContact CE2-CB 4.02Å; F88-I143 HydrophobicContact CE2-CG1 4.14Å; F88-I143 HydrophobicContact CE2-CG2 3.82Å; F88-I143 HydrophobicContact CZ-CG2 4.14Å; F88-Y160 AromaticContact CE1-CE2 3.71Å; F88-Y160 HydrophobicContact CE1-CE2 3.71Å; F88-Y160 AromaticContact CZ-CE2 3.83Å; F88-Y160 HydrophobicContact CZ-CE2 3.83Å
89S98.8Very high98.3Very high2 Ų229.6 Ų29.61%0.01417%0.165CC..EExtended strand (participates in β ladder)trans-88132.5174.11670000110.5V91 N92 S95 T121 Q122S89-V91 PolarHBondContact O-N 3.36Å; S89-V91 VanDerWaalsContact O-N 3.08Å; S89-V91 VanDerWaalsContact OG-CG2 3.26Å; S89-V91 WeakPolarHBondContact OG-CG2 3.29Å; S89-V91 PolarHBondContact OG-N 3.02Å; S89-N92 PolarHBondContact O-N 3.16Å; S89-S95 PolarHBondContact N-OG 2.91Å; S89-S95 VanDerWaalsContact N-OG 3.12Å; S89-T121 WeakPolarHBondContact CA-OG1 3.36Å; S89-Q122 PolarHBondContact OG-OE1 3.37Å
90V98.9Very high98.3Very high0 Ų031 Ų310%016%0.159CC..THydrogen-bonded Turntrans-67-10.6178.8-53.80000112.8F88 T121 I123 R126 P142 I143F88-V90 HydrophobicContact CE2-CG1 4.02Å; F88-V90 HydrophobicContact CZ-CG1 4.46Å; V90-T121 WeakPolarHBondContact CG2-O 3.44Å; V90-T121 PolarHBondContact N-O 3.03Å; V90-I123 HydrophobicContact CG1-CG2 4Å; V90-I123 HydrophobicContact CG2-CB 4.46Å; V90-I123 HydrophobicContact CG2-CG2 4.07Å; V90-R126 HydrophobicContact CG2-CB 4.25Å; V90-P142 CarbonylContact O-C 3.41Å; V90-P142 VanDerWaalsContact O-CA 3.25Å; V90-P142 WeakPolarHBondContact O-CA 3.47Å; V90-I143 HydrophobicContact CB-CB 4.38Å; V90-I143 PolarHBondContact O-N 2.74Å
91V98.6Very high98.4Very high19 Ų1928 Ų2812%0.11514%0.143CC..THydrogen-bonded Turntrans-111.514.7174.9-61.80000112.8S89 Q122 L125 T131 L135 P142S89-V91 PolarHBondContact O-N 3.36Å; S89-V91 VanDerWaalsContact O-N 3.08Å; S89-V91 VanDerWaalsContact OG-CG2 3.26Å; S89-V91 WeakPolarHBondContact OG-CG2 3.29Å; S89-V91 PolarHBondContact OG-N 3.02Å; V91-Q122 HydrophobicContact CG2-CB 4.49Å; V91-L125 HydrophobicContact CB-CB 4.4Å; V91-L125 HydrophobicContact CG1-CB 3.75Å; V91-L125 HydrophobicContact CG2-CB 3.87Å; V91-L125 HydrophobicContact CG2-CD1 3.85Å; V91-T131 HydrophobicContact CB-CG2 3.63Å; V91-T131 HydrophobicContact CG1-CG2 3.67Å; V91-T131 HydrophobicContact CG2-CG2 4.08Å; V91-L135 HydrophobicContact CB-CD1 4.21Å; V91-P142 HydrophobicContact CG1-CB 4.35Å
92N98.5Very high98.3Very high57 Ų5732.8 Ų32.831%0.30517%0.165SC..  trans-128.288.2170.2-178.8-7.4000109.8S89 A94 S95 F96S89-N92 PolarHBondContact O-N 3.16Å; N92-A94 VanDerWaalsContact C-N 3.27Å; N92-A94 PolarHBondContact O-N 3.43Å; N92-A94 PolarHBondContact OD1-N 2.57Å; N92-S95 PolarHBondContact O-N 3.15Å; N92-S95 VanDerWaalsContact O-N 3.09Å; N92-S95 PolarHBondContact O-OG 3.11Å; N92-S95 PolarHBondContact OD1-N 3.41Å; N92-F96 PolarHBondContact O-N 2.93Å
93P98.4Very high98.4Very high14 Ų1430.6 Ų30.69%0.09115%0.152CC..Hα-helixtrans-58.9-30.2-178.4-29.939.8000115.3F96 Q97 L135 E140 K141 I143P93-F96 WeakPolarHBondContact O-CB 3.35Å; P93-F96 PolarHBondContact O-N 2.85Å; P93-Q97 PolarHBondContact O-N 3.49Å; P93-L135 HydrophobicContact CG-CD2 4.31Å; P93-E140 VanDerWaalsContact CD-OE2 3.31Å; P93-E140 WeakPolarHBondContact CD-OE2 3.3Å; P93-E140 HydrophobicContact CG-CB 4.16Å; P93-E140 WeakPolarHBondContact CG-OE2 3.3Å; P93-K141 WeakPolarHBondContact CG-O 3.35Å; P93-I143 HydrophobicContact CB-CD1 4.18Å; P93-I143 HydrophobicContact CG-CD1 4.36Å
94A98.2Very high98.4Very high50 Ų5031.4 Ų31.441%0.41316%0.157SC..Hα-helixtrans-61.5-44.9173.800000111.2N92 F96 Q97 N98N92-A94 VanDerWaalsContact C-N 3.27Å; N92-A94 PolarHBondContact O-N 3.43Å; N92-A94 PolarHBondContact OD1-N 2.57Å; A94-F96 PolarHBondContact O-N 2.95Å; A94-F96 VanDerWaalsContact O-N 3.14Å; A94-Q97 PolarHBondContact O-N 3.43Å; A94-N98 PolarHBondContact O-N 3.1Å
95S98.8Very high98.3Very high0 Ų035.2 Ų35.20%018%0.18CC..Hα-helixtrans-61.1-26.617774.10000113.5D17 F88 S89 N92 V99D17-S95 VanDerWaalsContact OD2-CA 3.31Å; D17-S95 WeakPolarHBondContact OD2-CA 3.35Å; D17-S95 WeakPolarHBondContact OD2-CB 3.44Å; F88-S95 WeakPolarHBondContact CB-O 3.36Å; S89-S95 PolarHBondContact N-OG 2.91Å; S89-S95 VanDerWaalsContact N-OG 3.12Å; N92-S95 PolarHBondContact O-N 3.15Å; N92-S95 VanDerWaalsContact O-N 3.09Å; N92-S95 PolarHBondContact O-OG 3.11Å; N92-S95 PolarHBondContact OD1-N 3.41Å; S95-V99 WeakPolarHBondContact O-CG2 3.21Å; S95-V99 PolarHBondContact O-N 2.88Å
96F98.8Very high98.3Very high16 Ų1636.4 Ų36.47%0.0719%0.186CC..Hα-helixtrans-73.5-36174.5179.1-101.6000112.7F88 N92 P93 A94 V99 I143 Q147 L151F88-F96 HydrophobicContact CD1-CD2 4.16Å; F88-F96 HydrophobicContact CD2-CB 3.86Å; F88-F96 AromaticContact CD2-CD2 3.75Å; F88-F96 HydrophobicContact CD2-CD2 3.75Å; F88-F96 HydrophobicContact CD2-CG 4.3Å; F88-F96 AromaticContact CE1-CD2 3.87Å; F88-F96 HydrophobicContact CE1-CD2 3.87Å; F88-F96 HydrophobicContact CE1-CE2 4.24Å; F88-F96 HydrophobicContact CE2-CB 4.27Å; F88-F96 AromaticContact CE2-CD2 3.48Å; F88-F96 HydrophobicContact CE2-CD2 3.48Å; F88-F96 VanDerWaalsContact CE2-CD2 3.48Å; F88-F96 HydrophobicContact CE2-CE2 4.24Å; F88-F96 HydrophobicContact CE2-CG 4.29Å; F88-F96 HydrophobicContact CG-CB 4.33Å; F88-F96 HydrophobicContact CG-CD2 4.09Å; F88-F96 AromaticContact CZ-CD2 3.53Å; F88-F96 HydrophobicContact CZ-CD2 3.53Å; F88-F96 AromaticContact CZ-CE2 3.9Å; F88-F96 HydrophobicContact CZ-CE2 3.9Å; N92-F96 PolarHBondContact O-N 2.93Å; P93-F96 WeakPolarHBondContact O-CB 3.35Å; P93-F96 PolarHBondContact O-N 2.85Å; A94-F96 PolarHBondContact O-N 2.95Å; A94-F96 VanDerWaalsContact O-N 3.14Å; F96-V99 WeakPolarHBondContact O-CB 3.48Å; F96-I143 HydrophobicContact CB-CD1 4.01Å; F96-I143 HydrophobicContact CB-CG1 3.98Å; F96-I143 HydrophobicContact CD1-CD1 3.95Å; F96-I143 HydrophobicContact CD2-CG1 4.38Å; F96-I143 HydrophobicContact CD2-CG2 3.89Å; F96-I143 HydrophobicContact CE2-CG2 3.87Å; F96-I143 HydrophobicContact CG-CD1 3.94Å; F96-I143 HydrophobicContact CG-CG1 4.08Å; F96-I143 HydrophobicContact CG-CG2 4.3Å; F96-I143 HydrophobicContact CZ-CG2 4.28Å; F96-Q147 HydrophobicContact CZ-CB 4.12Å; F96-L151 HydrophobicContact CD2-CD2 3.72Å; F96-L151 HydrophobicContact CE1-CD2 4.14Å; F96-L151 HydrophobicContact CE2-CB 3.87Å; F96-L151 HydrophobicContact CE2-CD2 3.29Å; F96-L151 HydrophobicContact CE2-CG 4.21Å; F96-L151 HydrophobicContact CG-CD2 4.35Å; F96-L151 HydrophobicContact CZ-CB 3.67Å; F96-L151 HydrophobicContact CZ-CD2 3.54Å; F96-L151 HydrophobicContact CZ-CG 4.17Å
97Q98.3Very high98.2Very high93 Ų9336.5 Ų36.544%0.43519%0.187SC..Hα-helixtrans-69.1-44174.7-59.5-54.8-30.700111.1P93 A94 V99 R100 E101P93-Q97 PolarHBondContact O-N 3.49Å; A94-Q97 PolarHBondContact O-N 3.43Å; Q97-V99 PolarHBondContact O-N 3.19Å; Q97-R100 PolarHBondContact O-N 2.92Å; Q97-E101 PolarHBondContact O-N 2.97Å
98N98.6Very high98.1Very high43 Ų4340.1 Ų40.123%0.2320%0.203CC..Hα-helixtrans-59.1-22.5179.7-69.1-11.8000113.2D17 A94 R100 E101 E102 W103D17-N98 WeakPolarHBondContact OD1-CB 3.39Å; D17-N98 PolarHBondContact OD2-ND2 3.35Å; A94-N98 PolarHBondContact O-N 3.1Å; N98-R100 VanDerWaalsContact C-N 3.29Å; N98-R100 PolarHBondContact O-N 2.9Å; N98-E101 PolarHBondContact O-N 3.04Å; N98-E102 HydrophobicContact CB-CG 4.45Å; N98-E102 WeakPolarHBondContact O-CB 3.02Å; N98-E102 PolarHBondContact O-N 2.91Å; N98-W103 VanDerWaalsContact O-CD1 3.27Å; N98-W103 PolarHBondContact O-N 2.98Å; N98-W103 VanDerWaalsContact O-N 3.09Å
99V98.7Very high98Very high0 Ų046.7 Ų46.70%023%0.234CC..Iπ-helixtrans-51.3-49.3171171.60000111.3I86 F88 S95 F96 Q97 V104 L118 L151 I155I86-V99 HydrophobicContact CG2-CG1 4.13Å; I86-V99 HydrophobicContact CG2-CG2 4.22Å; F88-V99 HydrophobicContact CB-CG2 3.96Å; F88-V99 HydrophobicContact CD1-CG2 4.14Å; F88-V99 HydrophobicContact CG-CG2 4.34Å; S95-V99 WeakPolarHBondContact O-CG2 3.21Å; S95-V99 PolarHBondContact O-N 2.88Å; F96-V99 WeakPolarHBondContact O-CB 3.48Å; Q97-V99 PolarHBondContact O-N 3.19Å; V99-V104 HydrophobicContact CG1-CG2 4.23Å; V99-V104 WeakPolarHBondContact O-CB 3.41Å; V99-V104 WeakPolarHBondContact O-CG2 3.22Å; V99-V104 PolarHBondContact O-N 2.9Å; V99-L118 HydrophobicContact CG1-CD1 3.69Å; V99-L118 HydrophobicContact CG2-CD1 3.99Å; V99-L151 HydrophobicContact CB-CD2 4Å; V99-L151 HydrophobicContact CG1-CD2 3.85Å; V99-L151 HydrophobicContact CG2-CD2 4.44Å; V99-I155 HydrophobicContact CG1-CD1 3.76Å
100R97.2Very high97.9Very high110 Ų11052.2 Ų52.242%0.41526%0.255SS..Iπ-helixtrans-79.1-44.2-177.7172.5177.7-78.9130.5-1.7111.3Q97 N98 T105 E154Q97-R100 PolarHBondContact O-N 2.92Å; N98-R100 VanDerWaalsContact C-N 3.29Å; N98-R100 PolarHBondContact O-N 2.9Å; R100-T105 PolarHBondContact O-OG1 2.99Å; R100-E154 IonicContact CZ-OE2 3.62Å; R100-E154 IonicContact NH1-OE2 3.69Å; R100-E154 VanDerWaalsContact NH2-CB 3.27Å; R100-E154 IonicContact NH2-OE2 2.67Å; R100-E154 PolarHBondContact NH2-OE2 3.01Å
101E96.1Very high97.8Very high112 Ų11252.8 Ų52.852%0.52326%0.26SS..Iπ-helixtrans-72.8-42.5-168.5-64.1179.7174.100110.8Q97 N98 T105Q97-E101 PolarHBondContact O-N 2.97Å; N98-E101 PolarHBondContact O-N 3.04Å; E101-T105 WeakPolarHBondContact O-CB 3.43Å; E101-T105 PolarHBondContact O-OG1 3.44Å
102E97.1Very high97.6Very high113 Ų11355 Ų5553%0.52828%0.275SS..Iπ-helixtrans-110.2-63.6-173-55.8-56.5148.300111.7N98 V104 T105 E106N98-E102 HydrophobicContact CB-CG 4.45Å; N98-E102 WeakPolarHBondContact O-CB 3.02Å; N98-E102 PolarHBondContact O-N 2.91Å; E102-V104 PolarHBondContact O-N 3Å; E102-T105 WeakPolarHBondContact O-CB 3.28Å; E102-T105 PolarHBondContact O-N 3.47Å; E102-T105 VanDerWaalsContact O-N 3.15Å; E102-E106 WeakPolarHBondContact O-CB 3.48Å; E102-E106 PolarHBondContact O-N 2.66Å
103W98.4Very high97.4Very high12 Ų1257.2 Ų57.25%0.04530%0.295CS..Iπ-helixtrans-68.3-42.5-164.3-59.5111.6000113.7V15 G16 D17 I86 N98 L107V15-W103 HydrophobicContact CB-CE3 3.94Å; V15-W103 HydrophobicContact CB-CZ3 4.25Å; V15-W103 HydrophobicContact CG2-CE3 4.27Å; G16-W103 WeakPolarHBondContact O-CZ2 3.39Å; D17-W103 PolarHBondContact OD1-NE1 2.85Å; I86-W103 HydrophobicContact CG2-CB 3.71Å; I86-W103 HydrophobicContact CG2-CG 4.21Å; N98-W103 VanDerWaalsContact O-CD1 3.27Å; N98-W103 PolarHBondContact O-N 2.98Å; N98-W103 VanDerWaalsContact O-N 3.09Å; W103-L107 WeakPolarHBondContact O-CG 3.28Å; W103-L107 PolarHBondContact O-N 2.88Å; W103-L107 VanDerWaalsContact O-N 3.09Å
104V98.3Very high97.4Very high18 Ų1857.5 Ų57.511%0.10930%0.296CS..Hα-helixtrans-66.4-41.4174.9169.60000110.3I86 V99 E102 L107 Q108 I155I86-V104 HydrophobicContact CD1-CG2 3.85Å; V99-V104 HydrophobicContact CG1-CG2 4.23Å; V99-V104 WeakPolarHBondContact O-CB 3.41Å; V99-V104 WeakPolarHBondContact O-CG2 3.22Å; V99-V104 PolarHBondContact O-N 2.9Å; E102-V104 PolarHBondContact O-N 3Å; V104-L107 PolarHBondContact O-N 2.91Å; V104-Q108 HydrophobicContact CG1-CG 4.34Å; V104-Q108 VanDerWaalsContact O-CG 3.26Å; V104-Q108 WeakPolarHBondContact O-CG 3.48Å; V104-Q108 PolarHBondContact O-N 3.07Å; V104-I155 HydrophobicContact CG2-CB 3.94Å; V104-I155 HydrophobicContact CG2-CD1 3.82Å; V104-I155 HydrophobicContact CG2-CG1 4.38Å; V104-I155 HydrophobicContact CG2-CG2 4.12Å
105T97.6Very high97.4Very high80 Ų8056.6 Ų56.649%0.49129%0.286SS..Hα-helixtrans-59-48.9178.1-55.10000110.9R100 E101 E102 L107 Q108 E109R100-T105 PolarHBondContact O-OG1 2.99Å; E101-T105 WeakPolarHBondContact O-CB 3.43Å; E101-T105 PolarHBondContact O-OG1 3.44Å; E102-T105 WeakPolarHBondContact O-CB 3.28Å; E102-T105 PolarHBondContact O-N 3.47Å; E102-T105 VanDerWaalsContact O-N 3.15Å; T105-L107 PolarHBondContact O-N 2.65Å; T105-Q108 PolarHBondContact O-N 3.19Å; T105-E109 PolarHBondContact O-N 3.08Å; T105-E109 VanDerWaalsContact O-N 3.08Å
106E97.9Very high97.4Very high26 Ų2657.1 Ų57.112%0.12129%0.288CS..Hα-helixtrans-61-47.3179.1-167.2-174.5109.700111.7R74 Y78 E102 Q108 E109 Y110R74-E106 IonicContact NH1-OE1 2.8Å; R74-E106 IonicContact NH1-OE2 3.71Å; R74-E106 PolarHBondContact NH1-OE2 3.28Å; Y78-E106 HydrophobicContact CE2-CG 4.39Å; Y78-E106 WeakPolarHBondContact CE2-OE1 3.34Å; Y78-E106 VanDerWaalsContact CZ-OE1 3.25Å; Y78-E106 PolarHBondContact OH-OE1 3.29Å; E102-E106 WeakPolarHBondContact O-CB 3.48Å; E102-E106 PolarHBondContact O-N 2.66Å; E106-Q108 VanDerWaalsContact C-N 3.29Å; E106-Q108 PolarHBondContact O-N 3.02Å; E106-E109 WeakPolarHBondContact O-CB 3.5Å; E106-E109 PolarHBondContact O-N 3.03Å; E106-E109 VanDerWaalsContact O-N 3.1Å; E106-Y110 HydrophobicContact CG-CD2 3.85Å; E106-Y110 HydrophobicContact CG-CE2 3.99Å; E106-Y110 WeakPolarHBondContact O-CD2 3.44Å; E106-Y110 PolarHBondContact O-N 2.72Å
107L97.8Very high97.3Very high2 Ų256.4 Ų56.41%0.0129%0.285CS..Hα-helixtrans-65.3-31.2178.5-66.8-171000112.8V15 Y78 F84 I86 W103 V104 T105 E109 A111 Y116V15-L107 HydrophobicContact CG2-CD1 4.27Å; Y78-L107 HydrophobicContact CE2-CD2 4.14Å; F84-L107 HydrophobicContact CB-CD1 3.74Å; F84-L107 HydrophobicContact CD1-CD1 4.2Å; F84-L107 HydrophobicContact CD1-CD2 3.63Å; F84-L107 HydrophobicContact CD2-CD1 4.16Å; F84-L107 HydrophobicContact CD2-CD2 4.15Å; F84-L107 HydrophobicContact CE1-CD2 3.61Å; F84-L107 HydrophobicContact CE2-CD2 4.13Å; F84-L107 HydrophobicContact CG-CD1 3.79Å; F84-L107 HydrophobicContact CG-CD2 3.91Å; F84-L107 HydrophobicContact CZ-CD2 3.87Å; I86-L107 HydrophobicContact CD1-CD1 3.8Å; I86-L107 HydrophobicContact CG1-CD1 3.78Å; W103-L107 WeakPolarHBondContact O-CG 3.28Å; W103-L107 PolarHBondContact O-N 2.88Å; W103-L107 VanDerWaalsContact O-N 3.09Å; V104-L107 PolarHBondContact O-N 2.91Å; T105-L107 PolarHBondContact O-N 2.65Å; L107-E109 VanDerWaalsContact C-N 3.33Å; L107-A111 CarbonylContact O-C 3.56Å; L107-A111 VanDerWaalsContact O-CA 3.3Å; L107-A111 WeakPolarHBondContact O-CA 3.38Å; L107-A111 PolarHBondContact O-N 3.28Å; L107-Y116 HydrophobicContact CD1-CD1 4.36Å; L107-Y116 HydrophobicContact CD1-CG 4.46Å
108Q96.2Very high97.4Very high75 Ų7552 Ų5235%0.3526%0.264SS..Hα-helixtrans-71.3-29173.9-67.9-60.3-28.700112.6V104 T105 E106 P112 Y116V104-Q108 HydrophobicContact CG1-CG 4.34Å; V104-Q108 VanDerWaalsContact O-CG 3.26Å; V104-Q108 WeakPolarHBondContact O-CG 3.48Å; V104-Q108 PolarHBondContact O-N 3.07Å; T105-Q108 PolarHBondContact O-N 3.19Å; E106-Q108 VanDerWaalsContact C-N 3.29Å; E106-Q108 PolarHBondContact O-N 3.02Å; Q108-P112 WeakPolarHBondContact O-CB 3.48Å; Q108-Y116 PolarHBondContact NE2-OH 3.35Å
109E96.7Very high97.4Very high138 Ų13849.9 Ų49.965%0.64525%0.253SS*.Hα-helixtrans-71.6-50.9175.2-176.6174.3-179.900111.4T105 E106 L107T105-E109 PolarHBondContact O-N 3.08Å; T105-E109 VanDerWaalsContact O-N 3.08Å; E106-E109 WeakPolarHBondContact O-CB 3.5Å; E106-E109 PolarHBondContact O-N 3.03Å; E106-E109 VanDerWaalsContact O-N 3.1Å; L107-E109 VanDerWaalsContact C-N 3.33Å
110Y97.3Very high97.4Very high118 Ų11849.9 Ų49.946%0.46325%0.253SS..Hα-helixtrans-93.9-28.4-170.6-67.9-80.8000114.6P75 Y78 E106P75-Y110 HydrophobicContact CB-CD1 3.75Å; P75-Y110 HydrophobicContact CB-CD2 4.24Å; P75-Y110 HydrophobicContact CB-CE1 3.66Å; P75-Y110 HydrophobicContact CB-CE2 4.19Å; P75-Y110 HydrophobicContact CB-CG 4.05Å; P75-Y110 HydrophobicContact CG-CD1 4.39Å; P75-Y110 HydrophobicContact CG-CD2 4.17Å; P75-Y110 HydrophobicContact CG-CE1 3.99Å; P75-Y110 HydrophobicContact CG-CE2 3.78Å; P75-Y110 HydrophobicContact CG-CG 4.47Å; Y78-Y110 HydrophobicContact CD2-CD2 4.49Å; Y78-Y110 HydrophobicContact CD2-CG 4.15Å; Y78-Y110 HydrophobicContact CE2-CD2 4.39Å; Y78-Y110 HydrophobicContact CE2-CG 4.5Å; E106-Y110 HydrophobicContact CG-CD2 3.85Å; E106-Y110 HydrophobicContact CG-CE2 3.99Å; E106-Y110 WeakPolarHBondContact O-CD2 3.44Å; E106-Y110 PolarHBondContact O-N 2.72Å
111A96.2Very high97.5Very high12 Ų1244.9 Ų44.910%0.09924%0.235CC..  trans-142.752-172.500000114F84 L107 S113 V114F84-A111 HydrophobicContact CE2-CB 3.52Å; F84-A111 HydrophobicContact CZ-CB 3.85Å; L107-A111 CarbonylContact O-C 3.56Å; L107-A111 VanDerWaalsContact O-CA 3.3Å; L107-A111 WeakPolarHBondContact O-CA 3.38Å; L107-A111 PolarHBondContact O-N 3.28Å; A111-S113 PolarHBondContact O-N 3.5Å; A111-V114 HydrophobicContact CB-CB 4.25Å; A111-V114 HydrophobicContact CB-CG2 3.89Å; A111-V114 PolarHBondContact O-N 3.27Å
112P95.6Very high97.6Very high66 Ų6641.8 Ų41.843%0.42922%0.22SC..THydrogen-bonded Turntrans-61.7-21.4-16922.8-34.5000115.3Q108 K188Q108-P112 WeakPolarHBondContact O-CB 3.48Å; P112-K188 PolarHBondContact O-NZ 3.14Å
113S94.3Very high97.7Very high104 Ų10437.2 Ų37.273%0.72720%0.2SC*.THydrogen-bonded Turntrans-93.3-11.218054.50000114.4A111A111-S113 PolarHBondContact O-N 3.5Å
114V97.3Very high97.7Very high20 Ų2039.1 Ų39.112%0.12121%0.211CC..SBendtrans-83134.4-174.4-173.80000109.5T81 F84 A111T81-V114 HydrophobicContact CG2-CG1 4.14Å; T81-V114 WeakPolarHBondContact O-CG1 3.29Å; T81-V114 WeakPolarHBondContact O-CG2 3.09Å; F84-V114 HydrophobicContact CD2-CB 3.96Å; F84-V114 HydrophobicContact CD2-CG1 3.55Å; F84-V114 HydrophobicContact CE2-CB 3.77Å; F84-V114 HydrophobicContact CE2-CG1 3.61Å; F84-V114 HydrophobicContact CE2-CG2 4.2Å; A111-V114 HydrophobicContact CB-CB 4.25Å; A111-V114 HydrophobicContact CB-CG2 3.89Å; A111-V114 PolarHBondContact O-N 3.27Å
115P97.7Very high97.7Very high30 Ų3040.8 Ų40.820%0.19522%0.218CC..  trans-67.9152.7174.128.4-34.6000111.5D82 V83 F84 C158D82-P115 WeakPolarHBondContact O-CD 3.3Å; D82-P115 WeakPolarHBondContact O-CG 3.17Å; V83-P115 WeakPolarHBondContact CA-O 3.32Å; V83-P115 HydrophobicContact CG2-CG 4.38Å; F84-P115 PolarHBondContact N-O 2.68Å; P115-C158 VanDerWaalsContact CB-SG 3.56Å
116Y98.5Very high97.7Very high12 Ų1239 Ų395%0.04720%0.203CC..EExtended strand (participates in β ladder)trans-140149.6173.451.4-98000112.2F84 I86 L107 Q108 I155 A157 C158F84-Y116 CarbonylContact O-C 3.46Å; F84-Y116 WeakPolarHBondContact O-CA 3.35Å; I86-Y116 HydrophobicContact CD1-CD2 3.69Å; I86-Y116 HydrophobicContact CD1-CE2 4.2Å; I86-Y116 HydrophobicContact CD1-CG 4.03Å; L107-Y116 HydrophobicContact CD1-CD1 4.36Å; L107-Y116 HydrophobicContact CD1-CG 4.46Å; Q108-Y116 PolarHBondContact NE2-OH 3.35Å; Y116-I155 HydrophobicContact CE2-CD1 4.24Å; Y116-I155 HydrophobicContact CE2-CG1 4.18Å; Y116-I155 PolarHBondContact OH-O 2.9Å; Y116-A157 HydrophobicContact CD2-CB 3.89Å; Y116-A157 HydrophobicContact CE2-CB 3.99Å; Y116-A157 CarbonylContact O-C 3.42Å; Y116-A157 WeakPolarHBondContact O-CA 3.46Å; Y116-C158 PolarHBondContact O-N 2.59Å
117L98.7Very high97.6Very high0 Ų044.1 Ų44.10%023%0.231CC..EExtended strand (participates in β ladder)trans-105.8149.6172.7-74.268.1000109.3V83 F84 L85 I86 I119 C158 V159 E177 A178 A181V83-L117 HydrophobicContact CG2-CD1 3.66Å; F84-L117 PolarHBondContact O-N 3.31Å; L85-L117 HydrophobicContact CD2-CB 3.94Å; L85-L117 HydrophobicContact CD2-CD2 4.25Å; L85-L117 HydrophobicContact CD2-CG 4.47Å; I86-L117 PolarHBondContact N-O 2.75Å; L117-I119 HydrophobicContact CB-CD1 3.85Å; L117-I119 HydrophobicContact CD2-CD1 4.42Å; L117-C158 HydrophobicContact CD1-CB 4.13Å; L117-C158 HydrophobicContact CG-CB 4.4Å; L117-V159 HydrophobicContact CD2-CG1 3.69Å; L117-V159 HydrophobicContact CG-CG1 3.78Å; L117-E177 HydrophobicContact CD2-CB 3.65Å; L117-A178 HydrophobicContact CD2-CB 4.34Å; L117-A181 HydrophobicContact CD1-CB 3.86Å
118L98.9Very high97.6Very high0 Ų046.4 Ų46.40%024%0.243CC..EExtended strand (participates in β ladder)trans-98124.8169.6-177.964.2000109.1I86 F88 V99 L151 A152 I155 A157 V159 Y160 V161I86-L118 HydrophobicContact CB-CD1 4.49Å; F88-L118 HydrophobicContact CD1-CD1 3.77Å; F88-L118 HydrophobicContact CD1-CG 4.27Å; F88-L118 HydrophobicContact CE1-CD1 3.92Å; F88-L118 HydrophobicContact CE1-CD2 4.13Å; F88-L118 HydrophobicContact CE1-CG 3.9Å; V99-L118 HydrophobicContact CG1-CD1 3.69Å; V99-L118 HydrophobicContact CG2-CD1 3.99Å; L118-L151 HydrophobicContact CD2-CB 4.04Å; L118-L151 HydrophobicContact CD2-CD2 3.99Å; L118-L151 HydrophobicContact CD2-CG 4.01Å; L118-A152 HydrophobicContact CB-CB 4.1Å; L118-A152 HydrophobicContact CD2-CB 3.92Å; L118-I155 HydrophobicContact CB-CD1 4.44Å; L118-I155 HydrophobicContact CD1-CD1 4.3Å; L118-I155 HydrophobicContact CD2-CD1 4.39Å; L118-A157 HydrophobicContact CB-CB 4.13Å; L118-V159 PolarHBondContact N-O 2.67Å; L118-V159 VanDerWaalsContact N-O 3.11Å; L118-Y160 HydrophobicContact CB-CD2 4.11Å; L118-Y160 HydrophobicContact CD2-CD2 3.9Å; L118-Y160 HydrophobicContact CD2-CE2 4.38Å; L118-Y160 HydrophobicContact CG-CD2 3.83Å; L118-Y160 HydrophobicContact CG-CE2 4.27Å; L118-Y160 WeakPolarHBondContact O-CA 3.46Å; L118-Y160 VanDerWaalsContact O-CD2 3.3Å; L118-Y160 WeakPolarHBondContact O-CD2 3.3Å; L118-V161 PolarHBondContact O-N 3.48Å
119I98.9Very high97.7Very high0 Ų047.5 Ų47.50%026%0.257CS..EExtended strand (participates in β ladder)trans-119.3117.5-174.3-49.6-57.5000110.3L25 L85 I86 C87 F88 L117 T121 V161 V174L25-I119 HydrophobicContact CD1-CG2 3.93Å; L85-I119 HydrophobicContact CB-CG1 4.05Å; L85-I119 HydrophobicContact CD2-CD1 4.21Å; L85-I119 HydrophobicContact CD2-CG1 4.17Å; I86-I119 PolarHBondContact O-N 3.01Å; C87-I119 WeakPolarHBondContact CA-O 3.45Å; F88-I119 WeakPolarHBondContact CD1-O 3.48Å; F88-I119 PolarHBondContact N-O 2.72Å; L117-I119 HydrophobicContact CB-CD1 3.85Å; L117-I119 HydrophobicContact CD2-CD1 4.42Å; I119-T121 HydrophobicContact CG2-CG2 4.06Å; I119-V161 CarbonylContact C-O 3.49Å; I119-V161 VanDerWaalsContact CA-O 3.32Å; I119-V161 WeakPolarHBondContact CA-O 3.26Å; I119-V161 HydrophobicContact CD1-CB 4.06Å; I119-V174 HydrophobicContact CD1-CB 4.48Å; I119-V174 HydrophobicContact CD1-CG1 3.79Å; I119-V174 HydrophobicContact CD1-CG2 4.17Å; I119-V174 HydrophobicContact CG1-CG1 4.26Å; I119-V174 HydrophobicContact CG2-CG2 4.13Å
120G98.9Very high97.8Very high0 Ų048.7 Ų48.70%026%0.26CS..EExtended strand (participates in β ladder)trans-89.5110.2170.100000110.4V161 E162 C163G120-V161 PolarHBondContact N-O 3.05Å; G120-E162 CarbonylContact O-C 3.06Å; G120-E162 VanDerWaalsContact O-CA 3.29Å; G120-E162 WeakPolarHBondContact O-CA 3.38Å; G120-C163 PolarHBondContact O-N 2.69Å
121T98.9Very high97.8Very high4 Ų444.2 Ų44.23%0.02525%0.245CC..EExtended strand (participates in β ladder)trans-96169.3-177.464.30000111.9V20 L25 C87 F88 S89 V90 I119 I123 C163V20-T121 WeakPolarHBondContact O-CB 3.42Å; V20-T121 PolarHBondContact O-OG1 3.16Å; L25-T121 HydrophobicContact CD1-CG2 4.11Å; C87-T121 HydrophobicContact CB-CG2 4.15Å; F88-T121 PolarHBondContact O-N 3.42Å; F88-T121 PolarHBondContact O-OG1 2.91Å; S89-T121 WeakPolarHBondContact CA-OG1 3.36Å; V90-T121 WeakPolarHBondContact CG2-O 3.44Å; V90-T121 PolarHBondContact N-O 3.03Å; I119-T121 HydrophobicContact CG2-CG2 4.06Å; T121-I123 VanDerWaalsContact C-N 3.33Å; T121-I123 PolarHBondContact O-N 2.99Å; T121-C163 CarbonylContact C-O 3.55Å; T121-C163 WeakPolarHBondContact CA-O 3.49Å
122Q98.5Very high97.9Very high47 Ų4746.3 Ų46.322%0.2225%0.254CS..  trans61.635173.3-53.8174.74.400113.8A19 V20 S89 V91 D124 L125 C163A19-Q122 PolarHBondContact O-NE2 3Å; V20-Q122 VanDerWaalsContact C-NE2 3.27Å; V20-Q122 PolarHBondContact O-NE2 3.17Å; S89-Q122 PolarHBondContact OG-OE1 3.37Å; V91-Q122 HydrophobicContact CG2-CB 4.49Å; Q122-D124 PolarHBondContact O-N 2.83Å; Q122-D124 VanDerWaalsContact O-N 3.17Å; Q122-L125 HydrophobicContact CB-CD1 4.12Å; Q122-L125 HydrophobicContact CB-CG 4.42Å; Q122-L125 WeakPolarHBondContact O-CB 3.35Å; Q122-L125 PolarHBondContact O-N 3.23Å; Q122-C163 PolarHBondContact N-O 3.42Å; Q122-C163 VanDerWaalsContact N-O 3.1Å
123I98.7Very high98Very high18 Ų1845.5 Ų45.59%0.09225%0.253CS..G310 helixtrans-65-18.3-178.567.2178.7000114.3V90 T121 L125 R126 E162 C163 K169V90-I123 HydrophobicContact CG1-CG2 4Å; V90-I123 HydrophobicContact CG2-CB 4.46Å; V90-I123 HydrophobicContact CG2-CG2 4.07Å; T121-I123 VanDerWaalsContact C-N 3.33Å; T121-I123 PolarHBondContact O-N 2.99Å; I123-L125 PolarHBondContact O-N 2.83Å; I123-R126 WeakPolarHBondContact O-CB 3.32Å; I123-R126 PolarHBondContact O-N 3.01Å; I123-E162 HydrophobicContact CD1-CB 4.31Å; I123-E162 HydrophobicContact CG2-CB 3.8Å; I123-E162 HydrophobicContact CG2-CG 4.07Å; I123-C163 PolarHBondContact N-O 3.09Å; I123-K169 HydrophobicContact CD1-CD 3.91Å; I123-K169 HydrophobicContact CD1-CG 4.19Å
124D98.3Very high98.1Very high52 Ų5247.5 Ų47.528%0.27825%0.248SC..G310 helixtrans-62.8-24.8171.252.2-74.7000112.7Q122 S164 T167Q122-D124 PolarHBondContact O-N 2.83Å; Q122-D124 VanDerWaalsContact O-N 3.17Å; D124-S164 VanDerWaalsContact CG-OG 3.22Å; D124-S164 WeakPolarHBondContact OD1-CB 3.43Å; D124-S164 PolarHBondContact OD1-OG 3.15Å; D124-T167 HydrophobicContact CB-CG2 4.13Å
125L98.3Very high98.1Very high52 Ų5246.8 Ų46.827%0.27224%0.244SC..G310 helixtrans-87.8-9.4178.9-58.3-177.9000113.5V91 Q122 I123 D127 D128 T131V91-L125 HydrophobicContact CB-CB 4.4Å; V91-L125 HydrophobicContact CG1-CB 3.75Å; V91-L125 HydrophobicContact CG2-CB 3.87Å; V91-L125 HydrophobicContact CG2-CD1 3.85Å; Q122-L125 HydrophobicContact CB-CD1 4.12Å; Q122-L125 HydrophobicContact CB-CG 4.42Å; Q122-L125 WeakPolarHBondContact O-CB 3.35Å; Q122-L125 PolarHBondContact O-N 3.23Å; I123-L125 PolarHBondContact O-N 2.83Å; L125-D127 VanDerWaalsContact C-N 3.27Å; L125-D127 PolarHBondContact O-N 2.99Å; L125-D128 HydrophobicContact CD2-CB 4.43Å; L125-D128 PolarHBondContact O-N 2.56Å; L125-T131 HydrophobicContact CB-CG2 4.24Å
126R98.3Very high98.1Very high43 Ų4349.6 Ų49.616%0.16226%0.257CS..THydrogen-bonded Turntrans-58.8-40.1-175.2179.5178.2-74.1151.8-4.8112.4V90 I123 P142 I143 T145 E162V90-R126 HydrophobicContact CG2-CB 4.25Å; I123-R126 WeakPolarHBondContact O-CB 3.32Å; I123-R126 PolarHBondContact O-N 3.01Å; R126-P142 HydrophobicContact CG-CB 3.97Å; R126-P142 WeakPolarHBondContact O-CG 3.46Å; R126-I143 PolarHBondContact NE-O 3.4Å; R126-I143 PolarHBondContact NH2-O 2.69Å; R126-T145 PolarHBondContact NH1-OG1 2.9Å; R126-E162 IonicContact CZ-OE1 3.47Å; R126-E162 IonicContact CZ-OE2 3.21Å; R126-E162 IonicContact NH1-OE1 2.75Å; R126-E162 PolarHBondContact NH1-OE1 3.02Å; R126-E162 IonicContact NH1-OE2 2.79Å; R126-E162 PolarHBondContact NH1-OE2 2.85Å; R126-E162 IonicContact NH2-OE1 3.31Å; R126-E162 PolarHBondContact NH2-OE1 3.32Å; R126-E162 IonicContact NH2-OE2 2.72Å; R126-E162 PolarHBondContact NH2-OE2 3.16Å
127D96.6Very high98.1Very high134 Ų13455.6 Ų55.672%0.71729%0.29SS*.THydrogen-bonded Turntrans-105.47.6-179-58.7-48.2000112.4L125 P129L125-D127 VanDerWaalsContact C-N 3.27Å; L125-D127 PolarHBondContact O-N 2.99Å; D127-P129 WeakPolarHBondContact O-CD 3.28Å
128D97.9Very high98Very high49 Ų4961.3 Ų61.326%0.26232%0.318SS..  trans-70.3121.8179.8169.457.9000110.7L125 K130 T131 I132L125-D128 HydrophobicContact CD2-CB 4.43Å; L125-D128 PolarHBondContact O-N 2.56Å; D128-K130 VanDerWaalsContact C-N 3.28Å; D128-K130 PolarHBondContact O-N 2.99Å; D128-K130 WeakPolarHBondContact OD2-CB 3.17Å; D128-K130 PolarHBondContact OD2-N 3.3Å; D128-T131 PolarHBondContact O-N 2.91Å; D128-T131 VanDerWaalsContact O-N 3.13Å; D128-T131 VanDerWaalsContact OD2-CB 3.3Å; D128-T131 WeakPolarHBondContact OD2-CB 3.36Å; D128-T131 PolarHBondContact OD2-N 2.71Å; D128-T131 PolarHBondContact OD2-OG1 2.84Å; D128-I132 WeakPolarHBondContact O-CG1 2.87Å; D128-I132 PolarHBondContact O-N 2.86Å
129P98Very high97.9Very high99 Ų9970.8 Ų70.864%0.64336%0.359SS*.Hα-helixtrans-58.2-36.2-175.9-27.635.3000114.2D127 A133D127-P129 WeakPolarHBondContact O-CD 3.28Å; P129-A133 WeakPolarHBondContact O-CB 3.43Å; P129-A133 PolarHBondContact O-N 2.83Å
130K97.8Very high97.8Very high163 Ų16374.1 Ų74.171%0.70938%0.375SS*.Hα-helixtrans-70-41.2179.7-67.3-179.6-179.5174.70110.9D128 A133 K134D128-K130 VanDerWaalsContact C-N 3.28Å; D128-K130 PolarHBondContact O-N 2.99Å; D128-K130 WeakPolarHBondContact OD2-CB 3.17Å; D128-K130 PolarHBondContact OD2-N 3.3Å; K130-A133 PolarHBondContact O-N 2.76Å; K130-K134 WeakPolarHBondContact O-CG 3.33Å; K130-K134 PolarHBondContact O-N 3Å; K130-K134 VanDerWaalsContact O-N 3.1Å
131T97.4Very high97.8Very high24 Ų2481.8 Ų81.815%0.14741%0.408CS..Hα-helixtrans-67.1-44.5178.1-59.30000110.9V91 L125 D128 A133 K134 L135V91-T131 HydrophobicContact CB-CG2 3.63Å; V91-T131 HydrophobicContact CG1-CG2 3.67Å; V91-T131 HydrophobicContact CG2-CG2 4.08Å; L125-T131 HydrophobicContact CB-CG2 4.24Å; D128-T131 PolarHBondContact O-N 2.91Å; D128-T131 VanDerWaalsContact O-N 3.13Å; D128-T131 VanDerWaalsContact OD2-CB 3.3Å; D128-T131 WeakPolarHBondContact OD2-CB 3.36Å; D128-T131 PolarHBondContact OD2-N 2.71Å; D128-T131 PolarHBondContact OD2-OG1 2.84Å; T131-A133 VanDerWaalsContact C-N 3.34Å; T131-A133 PolarHBondContact O-N 2.86Å; T131-K134 PolarHBondContact O-N 3.33Å; T131-L135 HydrophobicContact CG2-CD1 4.16Å; T131-L135 PolarHBondContact O-N 2.86Å
132I97.8Very high97.8Very high56 Ų5682.8 Ų82.829%0.28742%0.415SS..Hα-helixtrans-59-44.9174.1-69.7169.3000111.1D128 K134 L135 N136D128-I132 WeakPolarHBondContact O-CG1 2.87Å; D128-I132 PolarHBondContact O-N 2.86Å; I132-K134 PolarHBondContact O-N 3.5Å; I132-L135 PolarHBondContact O-N 3.23Å; I132-N136 WeakPolarHBondContact CG2-ND2 3.35Å; I132-N136 WeakPolarHBondContact O-CB 3.3Å; I132-N136 VanDerWaalsContact O-CG 3.23Å; I132-N136 PolarHBondContact O-N 2.97Å; I132-N136 PolarHBondContact O-ND2 3.4Å
133A97.9Very high97.8Very high49 Ų4980.9 Ų80.941%0.40541%0.406SS..Hα-helixtrans-59-48.1177.700000111.8P129 K130 T131 L135 N136 D137P129-A133 WeakPolarHBondContact O-CB 3.43Å; P129-A133 PolarHBondContact O-N 2.83Å; K130-A133 PolarHBondContact O-N 2.76Å; T131-A133 VanDerWaalsContact C-N 3.34Å; T131-A133 PolarHBondContact O-N 2.86Å; A133-L135 PolarHBondContact O-N 3.09Å; A133-N136 PolarHBondContact O-N 3.22Å; A133-D137 PolarHBondContact O-N 2.46Å
134K97.4Very high97.8Very high146 Ų14682.7 Ų82.764%0.63542%0.418SS*.Hα-helixtrans-60.7-42.2177.5-72177.7-179.7-177.50113K130 T131 I132 D137 M138K130-K134 WeakPolarHBondContact O-CG 3.33Å; K130-K134 PolarHBondContact O-N 3Å; K130-K134 VanDerWaalsContact O-N 3.1Å; T131-K134 PolarHBondContact O-N 3.33Å; I132-K134 PolarHBondContact O-N 3.5Å; K134-D137 PolarHBondContact O-N 3.05Å; K134-M138 PolarHBondContact O-N 3.42Å
135L97.4Very high97.8Very high5 Ų582.2 Ų82.23%0.02642%0.417CS..Hα-helixtrans-65.5-41.3177.1-74.9169.4000111.3V91 P93 T131 I132 A133 D137 M138 K139 E140 P142V91-L135 HydrophobicContact CB-CD1 4.21Å; P93-L135 HydrophobicContact CG-CD2 4.31Å; T131-L135 HydrophobicContact CG2-CD1 4.16Å; T131-L135 PolarHBondContact O-N 2.86Å; I132-L135 PolarHBondContact O-N 3.23Å; A133-L135 PolarHBondContact O-N 3.09Å; L135-D137 VanDerWaalsContact C-N 3.31Å; L135-D137 PolarHBondContact O-N 2.85Å; L135-M138 HydrophobicContact CD2-CE 4.01Å; L135-M138 CarbonylContact O-C 3.59Å; L135-M138 WeakPolarHBondContact O-CA 3.08Å; L135-M138 PolarHBondContact O-N 3.12Å; L135-K139 PolarHBondContact O-N 2.89Å; L135-K139 VanDerWaalsContact O-N 3.09Å; L135-E140 CarbonylContact C-O 3.41Å; L135-E140 HydrophobicContact CB-CB 4.47Å; L135-E140 HydrophobicContact CD2-CB 4.01Å; L135-E140 PolarHBondContact O-N 3.36Å; L135-P142 HydrophobicContact CD1-CB 4.46Å; L135-P142 HydrophobicContact CD1-CG 3.69Å
136N97.2Very high97.8Very high88 Ų8885.6 Ų85.647%0.47143%0.431SS..Hα-helixtrans-62.2-36.7176.3-73.5-31.4000112.5I132 A133 M138 K139I132-N136 WeakPolarHBondContact CG2-ND2 3.35Å; I132-N136 WeakPolarHBondContact O-CB 3.3Å; I132-N136 VanDerWaalsContact O-CG 3.23Å; I132-N136 PolarHBondContact O-N 2.97Å; I132-N136 PolarHBondContact O-ND2 3.4Å; A133-N136 PolarHBondContact O-N 3.22Å; N136-M138 PolarHBondContact O-N 2.91Å; N136-K139 WeakPolarHBondContact O-CA 3.32Å; N136-K139 PolarHBondContact O-N 3.46Å
137D97.6Very high97.8Very high139 Ų13987.5 Ų87.574%0.74344%0.442SS*.Hα-helixtrans-59.7-33.2174.3-68.4-22.1000111.7A133 K134 L135 K139A133-D137 PolarHBondContact O-N 2.46Å; K134-D137 PolarHBondContact O-N 3.05Å; L135-D137 VanDerWaalsContact C-N 3.31Å; L135-D137 PolarHBondContact O-N 2.85Å; D137-K139 VanDerWaalsContact C-N 3.34Å
138M96.5Very high98Very high119 Ų11981.1 Ų81.159%0.58641%0.408SS*.THydrogen-bonded Turntrans-88.53.1174.4-60-175.9-62.400113.5K134 L135 N136 E140K134-M138 PolarHBondContact O-N 3.42Å; L135-M138 HydrophobicContact CD2-CE 4.01Å; L135-M138 CarbonylContact O-C 3.59Å; L135-M138 WeakPolarHBondContact O-CA 3.08Å; L135-M138 PolarHBondContact O-N 3.12Å; N136-M138 PolarHBondContact O-N 2.91Å; M138-E140 HydrophobicContact CB-CG 4.31Å; M138-E140 PolarHBondContact O-N 3.17Å
139K97.6Very high98Very high199 Ų19983.2 Ų83.287%0.86542%0.416SS*.THydrogen-bonded Turntrans59.427.5-173.6-54177.7-178.2174.80114L135 N136 D137L135-K139 PolarHBondContact O-N 2.89Å; L135-K139 VanDerWaalsContact O-N 3.09Å; N136-K139 WeakPolarHBondContact O-CA 3.32Å; N136-K139 PolarHBondContact O-N 3.46Å; D137-K139 VanDerWaalsContact C-N 3.34Å
140E97.8Very high98Very high71 Ų7184.7 Ų84.733%0.33241%0.413SS..  trans-106.7169.7177.8-67-163.3150.900111.6P93 L135 M138P93-E140 VanDerWaalsContact CD-OE2 3.31Å; P93-E140 WeakPolarHBondContact CD-OE2 3.3Å; P93-E140 HydrophobicContact CG-CB 4.16Å; P93-E140 WeakPolarHBondContact CG-OE2 3.3Å; L135-E140 CarbonylContact C-O 3.41Å; L135-E140 HydrophobicContact CB-CB 4.47Å; L135-E140 HydrophobicContact CD2-CB 4.01Å; L135-E140 PolarHBondContact O-N 3.36Å; M138-E140 HydrophobicContact CB-CG 4.31Å; M138-E140 PolarHBondContact O-N 3.17Å
141K97.9Very high98.1Very high160 Ų16077.2 Ų77.270%0.69638%0.38SS*.  trans-137.6153.9175.9-65.4-175.6-178.7-178.80110P93P93-K141 WeakPolarHBondContact CG-O 3.35Å
142P98.5Very high98.1Very high25 Ų2576.3 Ų76.316%0.16238%0.375CS..PPolyproline II helixtrans-55.7145.5170-2332.7000111.8V90 V91 R126 L135 T144V90-P142 CarbonylContact O-C 3.41Å; V90-P142 VanDerWaalsContact O-CA 3.25Å; V90-P142 WeakPolarHBondContact O-CA 3.47Å; V91-P142 HydrophobicContact CG1-CB 4.35Å; R126-P142 HydrophobicContact CG-CB 3.97Å; R126-P142 WeakPolarHBondContact O-CG 3.46Å; L135-P142 HydrophobicContact CD1-CB 4.46Å; L135-P142 HydrophobicContact CD1-CG 3.69Å; P142-T144 PolarHBondContact O-N 3.33Å
143I98.8Very high98.2Very high7 Ų781.7 Ų81.74%0.03640%0.397CS..PPolyproline II helixtrans-69.9127174.6-54.7-58.1000109.5F88 V90 P93 F96 R126 Q147F88-I143 HydrophobicContact CE2-CB 4.02Å; F88-I143 HydrophobicContact CE2-CG1 4.14Å; F88-I143 HydrophobicContact CE2-CG2 3.82Å; F88-I143 HydrophobicContact CZ-CG2 4.14Å; V90-I143 HydrophobicContact CB-CB 4.38Å; V90-I143 PolarHBondContact O-N 2.74Å; P93-I143 HydrophobicContact CB-CD1 4.18Å; P93-I143 HydrophobicContact CG-CD1 4.36Å; F96-I143 HydrophobicContact CB-CD1 4.01Å; F96-I143 HydrophobicContact CB-CG1 3.98Å; F96-I143 HydrophobicContact CD1-CD1 3.95Å; F96-I143 HydrophobicContact CD2-CG1 4.38Å; F96-I143 HydrophobicContact CD2-CG2 3.89Å; F96-I143 HydrophobicContact CE2-CG2 3.87Å; F96-I143 HydrophobicContact CG-CD1 3.94Å; F96-I143 HydrophobicContact CG-CG1 4.08Å; F96-I143 HydrophobicContact CG-CG2 4.3Å; F96-I143 HydrophobicContact CZ-CG2 4.28Å; R126-I143 PolarHBondContact NE-O 3.4Å; R126-I143 PolarHBondContact NH2-O 2.69Å; I143-Q147 HydrophobicContact CG2-CB 3.89Å
144T98.7Very high98.2Very high56 Ų5684 Ų8434%0.34440%0.399SS..PPolyproline II helixtrans-82.3160.2177.485.40000111.8P142 E146 Q147 G148P142-T144 PolarHBondContact O-N 3.33Å; T144-E146 WeakPolarHBondContact CB-OE2 3.49Å; T144-E146 PolarHBondContact O-N 3.19Å; T144-E146 PolarHBondContact OG1-N 3.29Å; T144-E146 PolarHBondContact OG1-OE2 3.14Å; T144-Q147 WeakPolarHBondContact O-CB 3.38Å; T144-Q147 PolarHBondContact O-N 3.49Å; T144-Q147 VanDerWaalsContact O-N 3.17Å; T144-Q147 PolarHBondContact OG1-N 3.43Å; T144-G148 PolarHBondContact O-N 2.9Å; T144-G148 VanDerWaalsContact O-N 3.14Å
145T98.6Very high98.2Very high42 Ų4277.8 Ų77.826%0.25837%0.373SS..Hα-helixtrans-60.2-37176.9-560000111.8R126 Q147 G148 Q149 Y160 E162R126-T145 PolarHBondContact NH1-OG1 2.9Å; T145-Q147 VanDerWaalsContact C-N 3.34Å; T145-Q147 PolarHBondContact O-N 3.31Å; T145-G148 PolarHBondContact O-N 3.31Å; T145-Q149 HydrophobicContact CG2-CG 4.39Å; T145-Q149 WeakPolarHBondContact O-CB 3.32Å; T145-Q149 VanDerWaalsContact O-CG 3.28Å; T145-Q149 WeakPolarHBondContact O-CG 3.22Å; T145-Q149 PolarHBondContact O-N 2.92Å; T145-Y160 HydrophobicContact CG2-CE1 4.2Å; T145-E162 WeakPolarHBondContact CA-OE1 3.49Å; T145-E162 WeakPolarHBondContact CB-OE1 3.02Å; T145-E162 PolarHBondContact OG1-OE1 3.13Å; T145-E162 PolarHBondContact OG1-OE2 3.2Å
146E98.8Very high98.2Very high123 Ų12380.1 Ų80.158%0.57540%0.398SS*.Hα-helixtrans-64.8-38.4178-59.271.1-152.100111.6T144 K150T144-E146 WeakPolarHBondContact CB-OE2 3.49Å; T144-E146 PolarHBondContact O-N 3.19Å; T144-E146 PolarHBondContact OG1-N 3.29Å; T144-E146 PolarHBondContact OG1-OE2 3.14Å; E146-K150 VanDerWaalsContact O-CB 3.23Å; E146-K150 WeakPolarHBondContact O-CB 3.21Å; E146-K150 PolarHBondContact O-N 3.22Å
147Q98.8Very high98.2Very high83 Ų8376.7 Ų76.739%0.38838%0.381SS..Hα-helixtrans-64.6-45.5175.6-68.4177.3-69.200111F96 I143 T144 T145 K150 L151F96-Q147 HydrophobicContact CZ-CB 4.12Å; I143-Q147 HydrophobicContact CG2-CB 3.89Å; T144-Q147 WeakPolarHBondContact O-CB 3.38Å; T144-Q147 PolarHBondContact O-N 3.49Å; T144-Q147 VanDerWaalsContact O-N 3.17Å; T144-Q147 PolarHBondContact OG1-N 3.43Å; T145-Q147 VanDerWaalsContact C-N 3.34Å; T145-Q147 PolarHBondContact O-N 3.31Å; Q147-K150 PolarHBondContact O-N 3.1Å; Q147-L151 PolarHBondContact O-N 2.95Å
148G98.8Very high98.2Very high0 Ų072 Ų720%036%0.359CS..Hα-helixtrans-61.1-46175.700000113.1T144 T145 K150 L151 A152T144-G148 PolarHBondContact O-N 2.9Å; T144-G148 VanDerWaalsContact O-N 3.14Å; T145-G148 PolarHBondContact O-N 3.31Å; G148-K150 VanDerWaalsContact C-N 3.33Å; G148-K150 PolarHBondContact O-N 3Å; G148-L151 PolarHBondContact O-N 3.34Å; G148-A152 WeakPolarHBondContact O-CB 3.4Å; G148-A152 PolarHBondContact O-N 2.91Å
149Q98.8Very high98.2Very high94 Ų9468.4 Ų68.444%0.43934%0.344SS..Hα-helixtrans-61.7-40.5175.6-72176.7-0.800112.5T145 K153 Y160T145-Q149 HydrophobicContact CG2-CG 4.39Å; T145-Q149 WeakPolarHBondContact O-CB 3.32Å; T145-Q149 VanDerWaalsContact O-CG 3.28Å; T145-Q149 WeakPolarHBondContact O-CG 3.22Å; T145-Q149 PolarHBondContact O-N 2.92Å; Q149-K153 WeakPolarHBondContact O-CG 3.49Å; Q149-K153 PolarHBondContact O-N 3.31Å; Q149-Y160 HydrophobicContact CB-CD1 4.49Å; Q149-Y160 HydrophobicContact CG-CD1 3.77Å
150K98.8Very high98.3Very high130 Ų13060.1 Ų60.157%0.56531%0.307SS*.Hα-helixtrans-63.6-49.4176.7-179.7177.9172.5-176.90110.6E146 Q147 G148 A152 K153 E154E146-K150 VanDerWaalsContact O-CB 3.23Å; E146-K150 WeakPolarHBondContact O-CB 3.21Å; E146-K150 PolarHBondContact O-N 3.22Å; Q147-K150 PolarHBondContact O-N 3.1Å; G148-K150 VanDerWaalsContact C-N 3.33Å; G148-K150 PolarHBondContact O-N 3Å; K150-A152 PolarHBondContact O-N 3.3Å; K150-K153 PolarHBondContact O-N 3.39Å; K150-E154 WeakPolarHBondContact CE-OE1 3.39Å; K150-E154 WeakPolarHBondContact CG-OE1 3.49Å; K150-E154 WeakPolarHBondContact O-CG 3.23Å; K150-E154 PolarHBondContact O-N 3.08Å; K150-E154 VanDerWaalsContact O-N 3.1Å
151L98.7Very high98.3Very high5 Ų557.3 Ų57.33%0.02630%0.295CS..Hα-helixtrans-60.8-45.6179.5-178.562.9000111.5F96 V99 L118 Q147 G148 K153 E154 I155F96-L151 HydrophobicContact CD2-CD2 3.72Å; F96-L151 HydrophobicContact CE1-CD2 4.14Å; F96-L151 HydrophobicContact CE2-CB 3.87Å; F96-L151 HydrophobicContact CE2-CD2 3.29Å; F96-L151 HydrophobicContact CE2-CG 4.21Å; F96-L151 HydrophobicContact CG-CD2 4.35Å; F96-L151 HydrophobicContact CZ-CB 3.67Å; F96-L151 HydrophobicContact CZ-CD2 3.54Å; F96-L151 HydrophobicContact CZ-CG 4.17Å; V99-L151 HydrophobicContact CB-CD2 4Å; V99-L151 HydrophobicContact CG1-CD2 3.85Å; V99-L151 HydrophobicContact CG2-CD2 4.44Å; L118-L151 HydrophobicContact CD2-CB 4.04Å; L118-L151 HydrophobicContact CD2-CD2 3.99Å; L118-L151 HydrophobicContact CD2-CG 4.01Å; Q147-L151 PolarHBondContact O-N 2.95Å; G148-L151 PolarHBondContact O-N 3.34Å; L151-K153 VanDerWaalsContact C-N 3.26Å; L151-K153 PolarHBondContact O-N 2.68Å; L151-E154 PolarHBondContact O-N 3.24Å; L151-I155 HydrophobicContact CD1-CG2 3.69Å; L151-I155 HydrophobicContact CG-CG2 4.19Å; L151-I155 WeakPolarHBondContact O-CG1 3.37Å; L151-I155 PolarHBondContact O-N 3.25Å
152A98.6Very high98.4Very high5 Ų551.3 Ų51.34%0.04127%0.27CS..Hα-helixtrans-55.1-40.8178.400000112.8L118 G148 K150 G156 A157L118-A152 HydrophobicContact CB-CB 4.1Å; L118-A152 HydrophobicContact CD2-CB 3.92Å; G148-A152 WeakPolarHBondContact O-CB 3.4Å; G148-A152 PolarHBondContact O-N 2.91Å; K150-A152 PolarHBondContact O-N 3.3Å; A152-G156 PolarHBondContact O-N 3.24Å; A152-G156 VanDerWaalsContact O-N 3.16Å; A152-A157 HydrophobicContact CB-CB 4.11Å; A152-A157 PolarHBondContact O-N 3.45Å
153K98.3Very high98.4Very high170 Ų17050.2 Ų50.274%0.73926%0.262SS*.Hα-helixtrans-65.5-44.5174.6-70.9172.8-177.5173.40111.8Q149 K150 L151 G156Q149-K153 WeakPolarHBondContact O-CG 3.49Å; Q149-K153 PolarHBondContact O-N 3.31Å; K150-K153 PolarHBondContact O-N 3.39Å; L151-K153 VanDerWaalsContact C-N 3.26Å; L151-K153 PolarHBondContact O-N 2.68Å; K153-G156 PolarHBondContact O-N 2.82Å
154E98Very high98.4Very high98 Ų9849.9 Ų49.946%0.45826%0.26SS..Hα-helixtrans-65.5-38.6-178-69171.5173.900112.6R100 K150 L151 G156R100-E154 IonicContact CZ-OE2 3.62Å; R100-E154 IonicContact NH1-OE2 3.69Å; R100-E154 VanDerWaalsContact NH2-CB 3.27Å; R100-E154 IonicContact NH2-OE2 2.67Å; R100-E154 PolarHBondContact NH2-OE2 3.01Å; K150-E154 WeakPolarHBondContact CE-OE1 3.39Å; K150-E154 WeakPolarHBondContact CG-OE1 3.49Å; K150-E154 WeakPolarHBondContact O-CG 3.23Å; K150-E154 PolarHBondContact O-N 3.08Å; K150-E154 VanDerWaalsContact O-N 3.1Å; L151-E154 PolarHBondContact O-N 3.24Å; E154-G156 VanDerWaalsContact C-N 3.33Å
155I97.7Very high98.3Very high15 Ų1547.8 Ų47.88%0.07725%0.249CC..THydrogen-bonded Turntrans-86.7-3.3178.970.9176.6000113V99 V104 Y116 L118 L151 A157V99-I155 HydrophobicContact CG1-CD1 3.76Å; V104-I155 HydrophobicContact CG2-CB 3.94Å; V104-I155 HydrophobicContact CG2-CD1 3.82Å; V104-I155 HydrophobicContact CG2-CG1 4.38Å; V104-I155 HydrophobicContact CG2-CG2 4.12Å; Y116-I155 HydrophobicContact CE2-CD1 4.24Å; Y116-I155 HydrophobicContact CE2-CG1 4.18Å; Y116-I155 PolarHBondContact OH-O 2.9Å; L118-I155 HydrophobicContact CB-CD1 4.44Å; L118-I155 HydrophobicContact CD1-CD1 4.3Å; L118-I155 HydrophobicContact CD2-CD1 4.39Å; L151-I155 HydrophobicContact CD1-CG2 3.69Å; L151-I155 HydrophobicContact CG-CG2 4.19Å; L151-I155 WeakPolarHBondContact O-CG1 3.37Å; L151-I155 PolarHBondContact O-N 3.25Å; I155-A157 HydrophobicContact CD1-CB 4.15Å; I155-A157 HydrophobicContact CG1-CB 4Å
156G97.1Very high98.1Very high54 Ų5450.3 Ų50.356%0.55726%0.26SS*.THydrogen-bonded Turntrans70.727.2-17900000114.9A152 K153 E154A152-G156 PolarHBondContact O-N 3.24Å; A152-G156 VanDerWaalsContact O-N 3.16Å; K153-G156 PolarHBondContact O-N 2.82Å; E154-G156 VanDerWaalsContact C-N 3.33Å
157A97.9Very high98Very high15 Ų1548.3 Ų48.312%0.12426%0.257CS..  trans-65.4151.7171.900000110.9Y116 L118 A152 I155 V159Y116-A157 HydrophobicContact CD2-CB 3.89Å; Y116-A157 HydrophobicContact CE2-CB 3.99Å; Y116-A157 CarbonylContact O-C 3.42Å; Y116-A157 WeakPolarHBondContact O-CA 3.46Å; L118-A157 HydrophobicContact CB-CB 4.13Å; A152-A157 HydrophobicContact CB-CB 4.11Å; A152-A157 PolarHBondContact O-N 3.45Å; I155-A157 HydrophobicContact CD1-CB 4.15Å; I155-A157 HydrophobicContact CG1-CB 4Å; A157-V159 VanDerWaalsContact C-N 3.32Å; A157-V159 PolarHBondContact O-N 3.12Å
158C97.1Very high97.9Very high40 Ų4048 Ų4827%0.2726%0.255SS..SBendtrans-62-41.9-179.3-67.30000112.2P115 Y116 L117 A181P115-C158 VanDerWaalsContact CB-SG 3.56Å; Y116-C158 PolarHBondContact O-N 2.59Å; L117-C158 HydrophobicContact CD1-CB 4.13Å; L117-C158 HydrophobicContact CG-CB 4.4Å; C158-A181 HydrophobicContact CB-CB 4.23Å
159V97.9Very high97.9Very high45 Ų4554.8 Ų54.827%0.27329%0.285SS..  trans-160.8161.1178.862.70000109.7L117 L118 A157 V161 E177L117-V159 HydrophobicContact CD2-CG1 3.69Å; L117-V159 HydrophobicContact CG-CG1 3.78Å; L118-V159 PolarHBondContact N-O 2.67Å; L118-V159 VanDerWaalsContact N-O 3.11Å; A157-V159 VanDerWaalsContact C-N 3.32Å; A157-V159 PolarHBondContact O-N 3.12Å; V159-V161 HydrophobicContact CG1-CG2 3.92Å; V159-V161 HydrophobicContact CG2-CG2 4.29Å; V159-E177 HydrophobicContact CG1-CB 3.94Å; V159-E177 HydrophobicContact CG1-CG 4.16Å
160Y98.8Very high97.8Very high25 Ų2551.3 Ų51.310%0.09827%0.274CS..EExtended strand (participates in β ladder)trans-103.1128.1165.4176.7-121.7000109.6F88 L118 T145 Q149 E162F88-Y160 AromaticContact CE1-CE2 3.71Å; F88-Y160 HydrophobicContact CE1-CE2 3.71Å; F88-Y160 AromaticContact CZ-CE2 3.83Å; F88-Y160 HydrophobicContact CZ-CE2 3.83Å; L118-Y160 HydrophobicContact CB-CD2 4.11Å; L118-Y160 HydrophobicContact CD2-CD2 3.9Å; L118-Y160 HydrophobicContact CD2-CE2 4.38Å; L118-Y160 HydrophobicContact CG-CD2 3.83Å; L118-Y160 HydrophobicContact CG-CE2 4.27Å; L118-Y160 WeakPolarHBondContact O-CA 3.46Å; L118-Y160 VanDerWaalsContact O-CD2 3.3Å; L118-Y160 WeakPolarHBondContact O-CD2 3.3Å; T145-Y160 HydrophobicContact CG2-CE1 4.2Å; Q149-Y160 HydrophobicContact CB-CD1 4.49Å; Q149-Y160 HydrophobicContact CG-CD1 3.77Å; Y160-E162 HydrophobicContact CE1-CG 3.6Å; Y160-E162 WeakPolarHBondContact CE1-OE1 3.48Å; Y160-E162 HydrophobicContact CE2-CG 4.37Å; Y160-E162 VanDerWaalsContact CZ-CG 3.46Å; Y160-E162 WeakPolarHBondContact OH-CG 3.49Å; Y160-E162 PolarHBondContact OH-OE1 2.89Å
161V98.8Very high97.7Very high12 Ų1245.5 Ų45.57%0.07325%0.249CC..EExtended strand (participates in β ladder)trans-128.3140.1175.6-172.40000109.4L118 I119 G120 V159 T173 V174 E177L118-V161 PolarHBondContact O-N 3.48Å; I119-V161 CarbonylContact C-O 3.49Å; I119-V161 VanDerWaalsContact CA-O 3.32Å; I119-V161 WeakPolarHBondContact CA-O 3.26Å; I119-V161 HydrophobicContact CD1-CB 4.06Å; G120-V161 PolarHBondContact N-O 3.05Å; V159-V161 HydrophobicContact CG1-CG2 3.92Å; V159-V161 HydrophobicContact CG2-CG2 4.29Å; V161-T173 HydrophobicContact CG1-CG2 3.95Å; V161-V174 HydrophobicContact CB-CG2 4.12Å; V161-V174 HydrophobicContact CG1-CG2 3.62Å; V161-E177 HydrophobicContact CG2-CB 4.41Å; V161-E177 HydrophobicContact CG2-CG 4.19Å
162E98.8Very high97.4Very high34 Ų3451.1 Ų51.116%0.15927%0.274CS..EExtended strand (participates in β ladder)trans-106.6141.7174.4-79.5-175.4-174.300110.8G120 I123 R126 T145 Y160G120-E162 CarbonylContact O-C 3.06Å; G120-E162 VanDerWaalsContact O-CA 3.29Å; G120-E162 WeakPolarHBondContact O-CA 3.38Å; I123-E162 HydrophobicContact CD1-CB 4.31Å; I123-E162 HydrophobicContact CG2-CB 3.8Å; I123-E162 HydrophobicContact CG2-CG 4.07Å; R126-E162 IonicContact CZ-OE1 3.47Å; R126-E162 IonicContact CZ-OE2 3.21Å; R126-E162 IonicContact NH1-OE1 2.75Å; R126-E162 PolarHBondContact NH1-OE1 3.02Å; R126-E162 IonicContact NH1-OE2 2.79Å; R126-E162 PolarHBondContact NH1-OE2 2.85Å; R126-E162 IonicContact NH2-OE1 3.31Å; R126-E162 PolarHBondContact NH2-OE1 3.32Å; R126-E162 IonicContact NH2-OE2 2.72Å; R126-E162 PolarHBondContact NH2-OE2 3.16Å; T145-E162 WeakPolarHBondContact CA-OE1 3.49Å; T145-E162 WeakPolarHBondContact CB-OE1 3.02Å; T145-E162 PolarHBondContact OG1-OE1 3.13Å; T145-E162 PolarHBondContact OG1-OE2 3.2Å; Y160-E162 HydrophobicContact CE1-CG 3.6Å; Y160-E162 WeakPolarHBondContact CE1-OE1 3.48Å; Y160-E162 HydrophobicContact CE2-CG 4.37Å; Y160-E162 VanDerWaalsContact CZ-CG 3.46Å; Y160-E162 WeakPolarHBondContact OH-CG 3.49Å; Y160-E162 PolarHBondContact OH-OE1 2.89Å
163C98.7Very high97.3Very high1 Ų154.2 Ų54.21%0.00729%0.292CS..  trans-149.2158.5175.267.10000113.9L25 G120 T121 Q122 I123 K169 L171 V174L25-C163 VanDerWaalsContact CD1-SG 3.55Å; G120-C163 PolarHBondContact O-N 2.69Å; T121-C163 CarbonylContact C-O 3.55Å; T121-C163 WeakPolarHBondContact CA-O 3.49Å; Q122-C163 PolarHBondContact N-O 3.42Å; Q122-C163 VanDerWaalsContact N-O 3.1Å; I123-C163 PolarHBondContact N-O 3.09Å; C163-K169 CarbonylContact C-O 3.55Å; C163-K169 WeakPolarHBondContact CA-O 3.49Å; C163-K169 WeakPolarHBondContact CB-O 3.42Å; C163-L171 HydrophobicContact CB-CD2 4.17Å; C163-V174 HydrophobicContact CB-CG2 4.01Å
164S98.4Very high97.3Very high0 Ų046.1 Ų46.10%026%0.257CS..  trans-119.4119166.6166.70000107.5D124 L166 T167 Q168 K169D124-S164 VanDerWaalsContact CG-OG 3.22Å; D124-S164 WeakPolarHBondContact OD1-CB 3.43Å; D124-S164 PolarHBondContact OD1-OG 3.15Å; S164-L166 PolarHBondContact O-N 2.87Å; S164-L166 PolarHBondContact OG-N 3.08Å; S164-T167 WeakPolarHBondContact CB-OG1 3.37Å; S164-T167 PolarHBondContact OG-N 2.91Å; S164-T167 PolarHBondContact OG-OG1 3.01Å; S164-Q168 CarbonylContact O-C 3.56Å; S164-Q168 WeakPolarHBondContact O-CA 3.26Å; S164-Q168 PolarHBondContact O-N 2.72Å; S164-K169 PolarHBondContact N-O 3.05Å; S164-K169 PolarHBondContact O-N 2.79Å
165A96.9Very high97.2Very high12 Ų1241.4 Ų41.410%0.09924%0.235CC..THydrogen-bonded Turntrans-66.2-33.3173.400000111.4C24 S28 F34C24-A165 HydrophobicContact CB-CB 3.87Å; S28-A165 PolarHBondContact OG-O 3.1Å; F34-A165 VanDerWaalsContact CD2-C 3.45Å; F34-A165 HydrophobicContact CD2-CB 3.97Å; F34-A165 WeakPolarHBondContact CD2-O 3.17Å; F34-A165 HydrophobicContact CE2-CB 3.86Å
166L95.4Very high97.1Very high95 Ų9542.6 Ų42.650%0.49724%0.241SC..THydrogen-bonded Turntrans-67.2-48.1-178.4178.763.2000112.3F34 S164F34-L166 HydrophobicContact CB-CD1 4.49Å; F34-L166 HydrophobicContact CD1-CD1 3.98Å; F34-L166 VanDerWaalsContact CD2-CA 3.47Å; F34-L166 HydrophobicContact CD2-CB 4.19Å; F34-L166 HydrophobicContact CD2-CD1 4.4Å; F34-L166 HydrophobicContact CE1-CD1 4.28Å; F34-L166 HydrophobicContact CE2-CB 4.19Å; F34-L166 HydrophobicContact CG-CD1 4.03Å; S164-L166 PolarHBondContact O-N 2.87Å; S164-L166 PolarHBondContact OG-N 3.08Å
167T96.4Very high97Very high82 Ų8243.2 Ų43.250%0.50323%0.229SC..THydrogen-bonded Turntrans-94.3-1.6-178.965.10000112.9D124 S164 K169D124-T167 HydrophobicContact CB-CG2 4.13Å; S164-T167 WeakPolarHBondContact CB-OG1 3.37Å; S164-T167 PolarHBondContact OG-N 2.91Å; S164-T167 PolarHBondContact OG-OG1 3.01Å; T167-K169 PolarHBondContact O-N 2.8Å; T167-K169 WeakPolarHBondContact OG1-CB 3.39Å
168Q96Very high96.9Very high76 Ų7642.5 Ų42.536%0.35522%0.224SC..  trans59.41-173.5-56.2170.32.600115.3D32 S164 G170 L171D32-Q168 PolarHBondContact O-NE2 3.06Å; S164-Q168 CarbonylContact O-C 3.56Å; S164-Q168 WeakPolarHBondContact O-CA 3.26Å; S164-Q168 PolarHBondContact O-N 2.72Å; Q168-G170 PolarHBondContact O-N 3.16Å; Q168-L171 HydrophobicContact CB-CD1 4.04Å; Q168-L171 HydrophobicContact CG-CD1 4.13Å; Q168-L171 PolarHBondContact O-N 3.22Å
169K98.1Very high96.8Very high143 Ų14340.6 Ų40.662%0.62221%0.211SC*.THydrogen-bonded Turntrans-56.2123.8177-177178.4175.6-175.10109.6I123 C163 S164 T167 L171I123-K169 HydrophobicContact CD1-CD 3.91Å; I123-K169 HydrophobicContact CD1-CG 4.19Å; C163-K169 CarbonylContact C-O 3.55Å; C163-K169 WeakPolarHBondContact CA-O 3.49Å; C163-K169 WeakPolarHBondContact CB-O 3.42Å; S164-K169 PolarHBondContact N-O 3.05Å; S164-K169 PolarHBondContact O-N 2.79Å; T167-K169 PolarHBondContact O-N 2.8Å; T167-K169 WeakPolarHBondContact OG1-CB 3.39Å; K169-L171 VanDerWaalsContact C-N 3.29Å; K169-L171 PolarHBondContact O-N 3.08Å
170G97.8Very high96.7Very high21 Ų2141.5 Ų41.522%0.21621%0.213CC..THydrogen-bonded Turntrans81.2-9.5175.300000115.9Q168 K172 T173 V174Q168-G170 PolarHBondContact O-N 3.16Å; G170-K172 PolarHBondContact O-N 2.92Å; G170-T173 WeakPolarHBondContact O-CB 2.93Å; G170-T173 PolarHBondContact O-N 3.43Å; G170-T173 VanDerWaalsContact O-N 3.12Å; G170-V174 PolarHBondContact O-N 2.99Å; G170-V174 VanDerWaalsContact O-N 3.08Å
171L95.6Very high96.5Very high7 Ų740.8 Ų40.84%0.03721%0.213CC..Hα-helixtrans-57.7-50-178-73.7-177.5000112.2L25 S28 C163 Q168 K169 T173 V174 F175L25-L171 HydrophobicContact CB-CD2 4.49Å; L25-L171 HydrophobicContact CG-CD2 4Å; S28-L171 WeakPolarHBondContact OG-CD1 3.38Å; C163-L171 HydrophobicContact CB-CD2 4.17Å; Q168-L171 HydrophobicContact CB-CD1 4.04Å; Q168-L171 HydrophobicContact CG-CD1 4.13Å; Q168-L171 PolarHBondContact O-N 3.22Å; K169-L171 VanDerWaalsContact C-N 3.29Å; K169-L171 PolarHBondContact O-N 3.08Å; L171-T173 PolarHBondContact O-N 3.45Å; L171-V174 WeakPolarHBondContact O-CB 3.42Å; L171-V174 PolarHBondContact O-N 2.93Å; L171-V174 VanDerWaalsContact O-N 3.12Å; L171-F175 VanDerWaalsContact O-CD2 3.23Å; L171-F175 WeakPolarHBondContact O-CD2 3.46Å; L171-F175 PolarHBondContact O-N 2.97Å
172K93.8Very high96.3Very high124 Ų12441.6 Ų41.654%0.53922%0.217SC..Hα-helixtrans-56-42.4177.7-169.2-171.1-174.7-51.20111.7G170 V174 F175 D176G170-K172 PolarHBondContact O-N 2.92Å; K172-V174 VanDerWaalsContact C-N 3.33Å; K172-V174 PolarHBondContact O-N 2.75Å; K172-F175 PolarHBondContact O-N 2.67Å; K172-D176 IonicContact NZ-OD1 2.85Å; K172-D176 PolarHBondContact NZ-OD1 3.3Å; K172-D176 IonicContact NZ-OD2 2.6Å; K172-D176 PolarHBondContact NZ-OD2 3.1Å; K172-D176 WeakPolarHBondContact O-CB 3.36Å; K172-D176 VanDerWaalsContact O-CG 3.27Å; K172-D176 PolarHBondContact O-N 3.49Å
173T96.4Very high95.9Very high69 Ų6943 Ų4342%0.42322%0.224SC..Hα-helixtrans-62-39.7179.4-50.10000112V161 G170 L171 F175 E177V161-T173 HydrophobicContact CG1-CG2 3.95Å; G170-T173 WeakPolarHBondContact O-CB 2.93Å; G170-T173 PolarHBondContact O-N 3.43Å; G170-T173 VanDerWaalsContact O-N 3.12Å; L171-T173 PolarHBondContact O-N 3.45Å; T173-F175 VanDerWaalsContact C-N 3.34Å; T173-F175 PolarHBondContact O-N 2.99Å; T173-E177 HydrophobicContact CG2-CG 4.23Å; T173-E177 WeakPolarHBondContact O-CB 3.4Å; T173-E177 VanDerWaalsContact O-CG 3.3Å; T173-E177 WeakPolarHBondContact O-CG 3.42Å; T173-E177 PolarHBondContact O-N 3.45Å
174V97.9Very high95.4Very high0 Ų048.2 Ų48.20%025%0.252CS..Hα-helixtrans-55.4-50.2176.8171.20000110.8L85 I119 V161 C163 G170 L171 K172 A178L85-V174 HydrophobicContact CD1-CG1 3.7Å; L85-V174 HydrophobicContact CD2-CG1 4.26Å; I119-V174 HydrophobicContact CD1-CB 4.48Å; I119-V174 HydrophobicContact CD1-CG1 3.79Å; I119-V174 HydrophobicContact CD1-CG2 4.17Å; I119-V174 HydrophobicContact CG1-CG1 4.26Å; I119-V174 HydrophobicContact CG2-CG2 4.13Å; V161-V174 HydrophobicContact CB-CG2 4.12Å; V161-V174 HydrophobicContact CG1-CG2 3.62Å; C163-V174 HydrophobicContact CB-CG2 4.01Å; G170-V174 PolarHBondContact O-N 2.99Å; G170-V174 VanDerWaalsContact O-N 3.08Å; L171-V174 WeakPolarHBondContact O-CB 3.42Å; L171-V174 PolarHBondContact O-N 2.93Å; L171-V174 VanDerWaalsContact O-N 3.12Å; K172-V174 VanDerWaalsContact C-N 3.33Å; K172-V174 PolarHBondContact O-N 2.75Å; V174-A178 WeakPolarHBondContact O-CB 3.25Å; V174-A178 PolarHBondContact O-N 3.36Å
175F95.8Very high94.3Very high0 Ų052.7 Ų52.70%028%0.282CS..Hα-helixtrans-80.4-32.9-175-64-75000113.3L25 L26 Y29 L59 L61 L85 L171 K172 T173 A178 I179L25-F175 HydrophobicContact CD2-CE1 4.36Å; L25-F175 HydrophobicContact CD2-CE2 4.04Å; L25-F175 HydrophobicContact CD2-CZ 3.47Å; L25-F175 VanDerWaalsContact CD2-CZ 3.47Å; L25-F175 HydrophobicContact CG-CZ 4.44Å; L26-F175 HydrophobicContact CD2-CE1 4.05Å; L26-F175 HydrophobicContact CD2-CZ 3.92Å; Y29-F175 HydrophobicContact CD1-CD1 4.05Å; Y29-F175 AromaticContact CD1-CD2 3.33Å; Y29-F175 HydrophobicContact CD1-CD2 3.33Å; Y29-F175 HydrophobicContact CD1-CE1 4.03Å; Y29-F175 AromaticContact CD1-CE2 3.33Å; Y29-F175 HydrophobicContact CD1-CE2 3.33Å; Y29-F175 AromaticContact CD1-CG 3.69Å; Y29-F175 HydrophobicContact CD1-CG 3.69Å; Y29-F175 AromaticContact CD1-CZ 3.65Å; Y29-F175 HydrophobicContact CD1-CZ 3.65Å; Y29-F175 AromaticContact CD2-CD2 3.4Å; Y29-F175 HydrophobicContact CD2-CD2 3.4Å; Y29-F175 VanDerWaalsContact CD2-CD2 3.4Å; Y29-F175 AromaticContact CD2-CE2 3.75Å; Y29-F175 HydrophobicContact CD2-CE2 3.75Å; Y29-F175 HydrophobicContact CD2-CG 4.27Å; Y29-F175 HydrophobicContact CE1-CB 3.78Å; Y29-F175 AromaticContact CE1-CD1 3.88Å; Y29-F175 HydrophobicContact CE1-CD1 3.88Å; Y29-F175 AromaticContact CE1-CD2 3.48Å; Y29-F175 HydrophobicContact CE1-CD2 3.48Å; Y29-F175 VanDerWaalsContact CE1-CD2 3.48Å; Y29-F175 HydrophobicContact CE1-CE1 4.31Å; Y29-F175 AromaticContact CE1-CE2 3.98Å; Y29-F175 HydrophobicContact CE1-CE2 3.98Å; Y29-F175 AromaticContact CE1-CG 3.4Å; Y29-F175 HydrophobicContact CE1-CG 3.4Å; Y29-F175 VanDerWaalsContact CE1-CG 3.4Å; Y29-F175 HydrophobicContact CE1-CZ 4.32Å; Y29-F175 HydrophobicContact CE2-CB 4.06Å; Y29-F175 AromaticContact CE2-CD2 3.58Å; Y29-F175 HydrophobicContact CE2-CD2 3.58Å; Y29-F175 HydrophobicContact CE2-CE2 4.36Å; Y29-F175 HydrophobicContact CE2-CG 4.06Å; Y29-F175 AromaticContact CG-CD2 3.27Å; Y29-F175 HydrophobicContact CG-CD2 3.27Å; Y29-F175 AromaticContact CG-CE2 3.18Å; Y29-F175 HydrophobicContact CG-CE2 3.18Å; Y29-F175 HydrophobicContact CG-CG 4.1Å; Y29-F175 AromaticContact CG-CZ 3.91Å; Y29-F175 HydrophobicContact CG-CZ 3.91Å; Y29-F175 AromaticContact CZ-CD2 3.61Å; Y29-F175 AromaticContact CZ-CG 3.62Å; L59-F175 HydrophobicContact CD2-CB 4.33Å; L59-F175 HydrophobicContact CD2-CD1 3.82Å; L59-F175 HydrophobicContact CD2-CG 4.44Å; L61-F175 HydrophobicContact CD2-CD1 3.98Å; L61-F175 HydrophobicContact CD2-CE1 3.5Å; L61-F175 VanDerWaalsContact CD2-CE1 3.5Å; L61-F175 HydrophobicContact CD2-CZ 4.37Å; L85-F175 HydrophobicContact CD1-CE1 4.05Å; L171-F175 VanDerWaalsContact O-CD2 3.23Å; L171-F175 WeakPolarHBondContact O-CD2 3.46Å; L171-F175 PolarHBondContact O-N 2.97Å; K172-F175 PolarHBondContact O-N 2.67Å; T173-F175 VanDerWaalsContact C-N 3.34Å; T173-F175 PolarHBondContact O-N 2.99Å; F175-A178 PolarHBondContact O-N 3.43Å; F175-I179 WeakPolarHBondContact O-CD1 3.39Å; F175-I179 VanDerWaalsContact O-CG1 3.25Å; F175-I179 WeakPolarHBondContact O-CG1 3.43Å; F175-I179 PolarHBondContact O-N 3.32Å
176D94.4Very high92.9Very high40 Ų4060 Ų6021%0.21431%0.311CS..Hα-helixtrans-58.5-48.4170.1-74.6-8.9000110.5K172 A178 I179 I180K172-D176 IonicContact NZ-OD1 2.85Å; K172-D176 PolarHBondContact NZ-OD1 3.3Å; K172-D176 IonicContact NZ-OD2 2.6Å; K172-D176 PolarHBondContact NZ-OD2 3.1Å; K172-D176 WeakPolarHBondContact O-CB 3.36Å; K172-D176 VanDerWaalsContact O-CG 3.27Å; K172-D176 PolarHBondContact O-N 3.49Å; D176-A178 VanDerWaalsContact C-N 3.35Å; D176-A178 PolarHBondContact O-N 3.33Å; D176-I179 PolarHBondContact O-N 3.26Å; D176-I180 VanDerWaalsContact O-CG1 3.23Å; D176-I180 WeakPolarHBondContact O-CG1 3.31Å; D176-I180 PolarHBondContact O-N 3Å
177E96.3Very high91Very high66 Ų6667.2 Ų67.231%0.30833%0.332SS..Hα-helixtrans-66.4-35.4178.7-72.7-65.915500112.3L117 V159 V161 T173 I180 A181L117-E177 HydrophobicContact CD2-CB 3.65Å; V159-E177 HydrophobicContact CG1-CB 3.94Å; V159-E177 HydrophobicContact CG1-CG 4.16Å; V161-E177 HydrophobicContact CG2-CB 4.41Å; V161-E177 HydrophobicContact CG2-CG 4.19Å; T173-E177 HydrophobicContact CG2-CG 4.23Å; T173-E177 WeakPolarHBondContact O-CB 3.4Å; T173-E177 VanDerWaalsContact O-CG 3.3Å; T173-E177 WeakPolarHBondContact O-CG 3.42Å; T173-E177 PolarHBondContact O-N 3.45Å; E177-I180 PolarHBondContact O-N 3.27Å; E177-A181 WeakPolarHBondContact O-CB 3.44Å; E177-A181 PolarHBondContact O-N 3.01Å
178A96.6Very high89Confident0 Ų068.9 Ų68.90%033%0.332CS..Hα-helixtrans-61.5-46174.100000111.2V83 L85 L117 V174 F175 D176 A181 I182V83-A178 HydrophobicContact CG1-CB 4.07Å; V83-A178 HydrophobicContact CG2-CB 4.47Å; L85-A178 HydrophobicContact CD2-CB 4.12Å; L117-A178 HydrophobicContact CD2-CB 4.34Å; V174-A178 WeakPolarHBondContact O-CB 3.25Å; V174-A178 PolarHBondContact O-N 3.36Å; F175-A178 PolarHBondContact O-N 3.43Å; D176-A178 VanDerWaalsContact C-N 3.35Å; D176-A178 PolarHBondContact O-N 3.33Å; A178-A181 WeakPolarHBondContact O-CB 3.49Å; A178-A181 PolarHBondContact O-N 3.47Å; A178-I182 WeakPolarHBondContact O-CG1 3.31Å; A178-I182 PolarHBondContact O-N 3.09Å; A178-I182 VanDerWaalsContact O-N 3.16Å
179I94.9Very high86.5Confident0 Ų075.2 Ų75.20%036%0.358CS..Hα-helixtrans-65.2-43176.8-64.4158.4000110.4L10 V50 V52 Y57 L59 F175 D176 A181 I182 L183L10-I179 HydrophobicContact CD1-CG1 4.34Å; L10-I179 HydrophobicContact CD1-CG2 4.14Å; V50-I179 HydrophobicContact CB-CD1 4.05Å; V50-I179 HydrophobicContact CG2-CD1 3.47Å; V50-I179 VanDerWaalsContact CG2-CD1 3.47Å; V52-I179 HydrophobicContact CB-CG2 3.96Å; V52-I179 HydrophobicContact CG1-CG2 4.07Å; V52-I179 HydrophobicContact CG2-CB 4.17Å; V52-I179 HydrophobicContact CG2-CD1 3.54Å; V52-I179 HydrophobicContact CG2-CG1 4.47Å; V52-I179 HydrophobicContact CG2-CG2 3.89Å; Y57-I179 HydrophobicContact CD2-CG2 4.44Å; L59-I179 HydrophobicContact CD1-CG1 4.5Å; L59-I179 HydrophobicContact CD2-CD1 4.37Å; L59-I179 HydrophobicContact CD2-CG1 4.45Å; F175-I179 WeakPolarHBondContact O-CD1 3.39Å; F175-I179 VanDerWaalsContact O-CG1 3.25Å; F175-I179 WeakPolarHBondContact O-CG1 3.43Å; F175-I179 PolarHBondContact O-N 3.32Å; D176-I179 PolarHBondContact O-N 3.26Å; I179-A181 VanDerWaalsContact C-N 3.29Å; I179-A181 PolarHBondContact O-N 3.14Å; I179-I182 PolarHBondContact O-N 3.2Å; I179-L183 HydrophobicContact CG2-CD1 3.75Å; I179-L183 HydrophobicContact CG2-CG 4.21Å; I179-L183 VanDerWaalsContact O-CG 3.29Å; I179-L183 WeakPolarHBondContact O-CG 3.33Å; I179-L183 PolarHBondContact O-N 3.04Å
180I94Very high83.7Confident64 Ų6471.4 Ų71.433%0.32836%0.36SS..Hα-helixtrans-59.3-40.8175.6-70.7165000111.1V52 D176 E177 I182 L183 N184V52-I180 HydrophobicContact CG1-CG1 4.44Å; D176-I180 VanDerWaalsContact O-CG1 3.23Å; D176-I180 WeakPolarHBondContact O-CG1 3.31Å; D176-I180 PolarHBondContact O-N 3Å; E177-I180 PolarHBondContact O-N 3.27Å; I180-I182 VanDerWaalsContact C-N 3.32Å; I180-I182 PolarHBondContact O-N 3.38Å; I180-L183 PolarHBondContact O-N 3.43Å; I180-N184 WeakPolarHBondContact O-CB 3.46Å; I180-N184 PolarHBondContact O-N 3.34Å
181A94.9Very high81.1Confident11 Ų1177.1 Ų77.19%0.09139%0.39CS..Hα-helixtrans-64-35.8178.200000112.7V83 L117 C158 E177 A178 I179V83-A181 HydrophobicContact CG2-CB 4.42Å; L117-A181 HydrophobicContact CD1-CB 3.86Å; C158-A181 HydrophobicContact CB-CB 4.23Å; E177-A181 WeakPolarHBondContact O-CB 3.44Å; E177-A181 PolarHBondContact O-N 3.01Å; A178-A181 WeakPolarHBondContact O-CB 3.49Å; A178-A181 PolarHBondContact O-N 3.47Å; I179-A181 VanDerWaalsContact C-N 3.29Å; I179-A181 PolarHBondContact O-N 3.14Å
182I94.3Very high78.5Confident29 Ų2984.2 Ų84.215%0.14943%0.428CS..Hα-helixtrans-68.2-47.3173.8-61.5166.3000110.8L10 D82 V83 A178 I179 I180L10-I182 HydrophobicContact CB-CD1 4.05Å; L10-I182 HydrophobicContact CD1-CD1 3.99Å; L10-I182 HydrophobicContact CD2-CD1 4.47Å; L10-I182 HydrophobicContact CD2-CG2 3.99Å; L10-I182 HydrophobicContact CG-CD1 4.39Å; D82-I182 HydrophobicContact CB-CD1 3.67Å; D82-I182 HydrophobicContact CB-CG1 3.8Å; D82-I182 HydrophobicContact CB-CG2 4.01Å; V83-I182 HydrophobicContact CB-CD1 4.01Å; V83-I182 HydrophobicContact CB-CG1 3.72Å; V83-I182 HydrophobicContact CG1-CD1 3.64Å; V83-I182 HydrophobicContact CG1-CG1 3.94Å; A178-I182 WeakPolarHBondContact O-CG1 3.31Å; A178-I182 PolarHBondContact O-N 3.09Å; A178-I182 VanDerWaalsContact O-N 3.16Å; I179-I182 PolarHBondContact O-N 3.2Å; I180-I182 VanDerWaalsContact C-N 3.32Å; I180-I182 PolarHBondContact O-N 3.38Å
183L90.8Very high76Confident62 Ų6287.6 Ų87.633%0.32544%0.442SS..Hα-helixtrans-74.5-26.2-173.9-63.5177.6000113.1Y57 I179 I180 P185Y57-L183 HydrophobicContact CE1-CD1 4.38Å; Y57-L183 HydrophobicContact CE1-CD2 3.91Å; Y57-L183 HydrophobicContact CE2-CD1 4.13Å; Y57-L183 WeakPolarHBondContact OH-CD1 3.45Å; I179-L183 HydrophobicContact CG2-CD1 3.75Å; I179-L183 HydrophobicContact CG2-CG 4.21Å; I179-L183 VanDerWaalsContact O-CG 3.29Å; I179-L183 WeakPolarHBondContact O-CG 3.33Å; I179-L183 PolarHBondContact O-N 3.04Å; I180-L183 PolarHBondContact O-N 3.43Å; L183-P185 VanDerWaalsContact C-CD 3.41Å; L183-P185 WeakPolarHBondContact O-CD 3.42Å
184N88.5Confident73.3Confident111 Ų11195.4 Ų95.459%0.59446%0.464SS*.SBendtrans-122.767.5-179.6-63.1-56.9000111.3I180 K186I180-N184 WeakPolarHBondContact O-CB 3.46Å; I180-N184 PolarHBondContact O-N 3.34Å; N184-K186 PolarHBondContact O-N 2.78Å
185P76.1Confident70.6Confident95 Ų95106.9 Ų106.962%0.61751%0.507SS*.  trans-63.4110.9-178.624.9-31.6000109.6L183 R187L183-P185 VanDerWaalsContact C-CD 3.41Å; L183-P185 WeakPolarHBondContact O-CD 3.42Å; P185-R187 PolarHBondContact O-N 2.91Å; P185-R187 VanDerWaalsContact O-N 3.12Å
186K67.5Low68.4Low165 Ų165114.8 Ų114.872%0.71755%0.549SS*.  trans-62.6116.9171.1-66.7-176.3-175.7170.20107.1N184 K188N184-K186 PolarHBondContact O-N 2.78Å; K186-K188 PolarHBondContact O-N 2.85Å
187R54.2Low65.8Low246 Ų246115.2 Ų115.293%0.92856%0.562SS**  trans-54.1109.7173.9-77.2-176.6177.8-178.7-0.1108.5P185 K189P185-R187 PolarHBondContact O-N 2.91Å; P185-R187 VanDerWaalsContact O-N 3.12Å; R187-K189 PolarHBondContact O-N 3.15Å; R187-K189 VanDerWaalsContact O-N 3.15Å
188K54.2Low63Low117 Ų117117.7 Ų117.751%0.50958%0.584SS.*  trans-55.7122.3165.6-72.9-170.3179.2-1770106.5P112 K186 G190P112-K188 PolarHBondContact O-NZ 3.14Å; K186-K188 PolarHBondContact O-N 2.85Å; K188-G190 PolarHBondContact O-N 3.28Å
189K43.5Very low60.5Low209 Ų209128.8 Ų128.891%0.90963%0.626SS**  trans-54.2114.8170.5-80.5-177.7177.2178.20106.1R187 V191R187-K189 PolarHBondContact O-N 3.15Å; R187-K189 VanDerWaalsContact O-N 3.15Å; K189-V191 PolarHBondContact O-N 3.34Å
190G40.7Very low57.7Low64 Ų64138.9 Ų138.966%0.6667%0.666SS**  trans-52.5126.2-16700000111.4K188 L192K188-G190 PolarHBondContact O-N 3.28Å; G190-L192 PolarHBondContact O-N 3.19Å
191V43.3Very low55.5Low140 Ų140143.7 Ų143.785%0.84869%0.69SS**  trans-58.8109.8154.11780000104.7K189 K193K189-V191 PolarHBondContact O-N 3.34Å; V191-K193 PolarHBondContact O-N 3.02Å
192L39.9Very low52.7Low157 Ų157150.3 Ų150.382%0.82272%0.724SS**  trans-51.6107.9171.2-121.484.2000106.4G190 R194G190-L192 PolarHBondContact O-N 3.19Å; L192-R194 VanDerWaalsContact C-N 3.29Å; L192-R194 PolarHBondContact O-N 3.38Å
193K41.3Very low49.9Very low195 Ų195154 Ų15485%0.84875%0.752SS**  trans-57103.8160.2-89.7-174.6174.5-179.80104.9V191 R195V191-K193 PolarHBondContact O-N 3.02Å; K193-R195 VanDerWaalsContact C-N 3.29Å; K193-R195 PolarHBondContact O-N 3.4Å
194R40.4Very low47.5Very low232 Ų232156.6 Ų156.688%0.87577%0.773SS**  trans-56.1103.6162.8-82.6-178167.7-179.5-3105.2L192 L196L192-R194 VanDerWaalsContact C-N 3.29Å; L192-R194 PolarHBondContact O-N 3.38Å; R194-L196 VanDerWaalsContact C-N 3.31Å; R194-L196 PolarHBondContact O-N 3.41Å
195R40.8Very low45.2Very low242 Ų242158.6 Ų158.691%0.91378%0.783SS**  trans-58.8102.4165.6-75.2-175.6176-172.4-1.2105.4K193 G197K193-R195 VanDerWaalsContact C-N 3.29Å; K193-R195 PolarHBondContact O-N 3.4Å; R195-G197 VanDerWaalsContact C-N 3.32Å; R195-G197 PolarHBondContact O-N 3.23Å
196L50.7Low43.7Very low166 Ų166161.2 Ų161.287%0.86979%0.79SS**  trans-61.9104.5160.2-81.1154.3000105.2R194R194-L196 VanDerWaalsContact C-N 3.31Å; R194-L196 PolarHBondContact O-N 3.41Å
197G38.2Very low42.9Very low48 Ų48163 Ų16350%0.49582%0.816SS.*  trans-59.4154.7173.200000110.4R195 R199R195-G197 VanDerWaalsContact C-N 3.32Å; R195-G197 PolarHBondContact O-N 3.23Å; G197-R199 PolarHBondContact O-N 2.84Å
198P38.8Very low42.3Very low119 Ų119158.9 Ų158.977%0.77381%0.81SS**  trans-62.2114.4-179.225.4-31.5000109.2Y200P198-Y200 PolarHBondContact O-N 3.36Å; P198-Y200 VanDerWaalsContact O-N 3.16Å
199R43.1Very low41.7Very low232 Ų232161.1 Ų161.188%0.87583%0.826SS**  trans-69.8108.9165.1-79.4-175.3174.5-177.6-1.4107G197 I201G197-R199 PolarHBondContact O-N 2.84Å; R199-I201 PolarHBondContact O-N 3.05Å; R199-I201 VanDerWaalsContact O-N 3.15Å
200Y36Very low41.6Very low213 Ų213158.4 Ų158.484%0.83582%0.821SS**  trans-50.1115.2165.6-75.5-97.2000109.2P198 N202P198-Y200 PolarHBondContact O-N 3.36Å; P198-Y200 VanDerWaalsContact O-N 3.16Å; Y200-N202 PolarHBondContact O-N 3.09Å
201I47.7Very low41.7Very low164 Ų164163.9 Ų163.984%0.84183%0.831SS**  trans-77.8103.3164.7-61.2169.4000105.1R199 C203R199-I201 PolarHBondContact O-N 3.05Å; R199-I201 VanDerWaalsContact O-N 3.15Å; I201-C203 PolarHBondContact O-N 3.3Å; I201-C203 VanDerWaalsContact O-N 3.14Å
202N36.3Very low41.6Very low151 Ų151165.4 Ų165.481%0.80783%0.829SS**  trans-65.9107.9168-103-12.7000108.5Y200 C204Y200-N202 PolarHBondContact O-N 3.09Å; N202-C204 PolarHBondContact O-N 2.92Å
203C36.1Very low41.7Very low107 Ų107166 Ų16672%0.72383%0.83SS**  trans-70.5106.3161.6-173.50000107.8I201I201-C203 PolarHBondContact O-N 3.3Å; I201-C203 VanDerWaalsContact O-N 3.14Å
204C40.4Very low41.7Very low116 Ų116163.9 Ų163.978%0.78483%0.829SS**  trans-87.5100.1160.7-95.10000108.2N202N202-C204 PolarHBondContact O-N 2.92Å
205L40.3Very low41.8Very low153 Ų153158.7 Ų158.780%0.80183%0.825SS**  trans-71.9119.1148.7-84.9152.3000107.7
206I43.8Very low41.9Very low149 Ų149151.8 Ų151.876%0.76482%0.818SS**  trans-140.5114.7147.5-56.7-176.1000107.7
207T51.5Low41.1Very low203 Ų203150.5 Ų150.5100%1.24581%0.813SS**  trans1.7015854.80000119.8

Retrieved 207 of 207 residues in 1268 ms (Link to these results)

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