A0A096LWZ5_POEFO Loading...

DnaJ heat shock protein family (Hsp40) member C22

AlphaFold DB , UniProt , Accession A0A096LWZ5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 284 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
1M64.2Low87.2Confident176 Ų17683 Ų8387%0.86742%0.423SS*.  0129.30-168.7-176.7-170.200108.5K3M1-K3 PolarHBondContact O-N 3Å
2V82.3Confident87.4Confident96 Ų9679 Ų7958%0.58240%0.398SS*.PPolyproline II helixtrans-63.7129.6178-178.30000109.7
3K87.7Confident87.3Confident56 Ų5678.4 Ų78.424%0.24341%0.413CS..PPolyproline II helixtrans-81.4139.3177.7-56-64.7176.1167.40110M1 Y24 L25 V56 A59 N60M1-K3 PolarHBondContact O-N 3Å; K3-Y24 WeakPolarHBondContact CA-OH 3.34Å; K3-Y24 HydrophobicContact CB-CE1 3.94Å; K3-Y24 HydrophobicContact CD-CD1 4.37Å; K3-Y24 HydrophobicContact CD-CE1 3.83Å; K3-Y24 HydrophobicContact CD-CE2 3.99Å; K3-Y24 WeakPolarHBondContact CE-O 3.45Å; K3-Y24 HydrophobicContact CG-CE1 4.4Å; K3-Y24 PolarHBondContact NZ-O 3.42Å; K3-L25 HydrophobicContact CB-CD2 4.2Å; K3-L25 HydrophobicContact CG-CD2 4.39Å; K3-V56 HydrophobicContact CB-CG1 4.22Å; K3-V56 WeakPolarHBondContact O-CG1 3.43Å; K3-A59 HydrophobicContact CG-CB 4.11Å; K3-N60 WeakPolarHBondContact CA-OD1 3.39Å; K3-N60 VanDerWaalsContact CB-OD1 3.32Å; K3-N60 WeakPolarHBondContact CB-OD1 3.48Å; K3-N60 PolarHBondContact N-OD1 3.31Å; K3-N60 PolarHBondContact O-ND2 2.93Å; K3-N60 VanDerWaalsContact O-ND2 3.11Å
4R90.4Very high87.2Confident180 Ų18083.3 Ų83.368%0.67944%0.435SS*.PPolyproline II helixtrans-103136.2-179.3-65.3-176.1179.1-128.31.5110.7V7 A8 Y24R4-V7 HydrophobicContact CB-CB 4.39Å; R4-V7 HydrophobicContact CB-CG2 3.99Å; R4-V7 PolarHBondContact O-N 3.43Å; R4-A8 PolarHBondContact O-N 3.28Å; R4-Y24 PolarHBondContact N-OH 2.95Å
5V90.8Very high86.8Confident58 Ų5877.9 Ų77.935%0.35241%0.408SS..Hα-helixtrans-62.8-43.1178.6179.20000111.5V7 A8 Y9 I52 V56V5-V7 VanDerWaalsContact C-N 3.32Å; V5-V7 PolarHBondContact O-N 3.39Å; V5-A8 WeakPolarHBondContact O-CB 3.31Å; V5-A8 PolarHBondContact O-N 2.87Å; V5-A8 VanDerWaalsContact O-N 3.1Å; V5-Y9 HydrophobicContact CG1-CD2 3.69Å; V5-Y9 HydrophobicContact CG1-CE2 3.48Å; V5-Y9 VanDerWaalsContact CG1-CE2 3.48Å; V5-Y9 WeakPolarHBondContact O-CD2 3.43Å; V5-Y9 PolarHBondContact O-N 3.02Å; V5-I52 HydrophobicContact CG1-CG2 4.44Å; V5-V56 HydrophobicContact CB-CG2 4.47Å; V5-V56 HydrophobicContact CG2-CB 3.93Å; V5-V56 HydrophobicContact CG2-CG1 3.69Å; V5-V56 HydrophobicContact CG2-CG2 4.04Å
6L92Very high86.2Confident145 Ų14573.1 Ų73.176%0.75938%0.383SS*.Hα-helixtrans-58.6-42.5179.9-173.369.4000112.4A8 Y9 A10L6-A8 VanDerWaalsContact C-N 3.32Å; L6-A8 PolarHBondContact O-N 3.19Å; L6-Y9 PolarHBondContact O-N 3.47Å; L6-A10 PolarHBondContact O-N 3.42Å
7V90.6Very high85.7Confident56 Ų5672.2 Ų72.234%0.33938%0.382SS..Hα-helixtrans-64.7-39.6177.7178.40000110.6R4 V5 A10 L11 Y24R4-V7 HydrophobicContact CB-CB 4.39Å; R4-V7 HydrophobicContact CB-CG2 3.99Å; R4-V7 PolarHBondContact O-N 3.43Å; V5-V7 VanDerWaalsContact C-N 3.32Å; V5-V7 PolarHBondContact O-N 3.39Å; V7-A10 PolarHBondContact O-N 3.04Å; V7-L11 HydrophobicContact CG1-CD1 4.11Å; V7-L11 HydrophobicContact CG1-CG 4.5Å; V7-L11 VanDerWaalsContact O-CG 3.31Å; V7-L11 WeakPolarHBondContact O-CG 3.32Å; V7-L11 PolarHBondContact O-N 3.46Å; V7-Y24 HydrophobicContact CB-CE1 4.2Å; V7-Y24 HydrophobicContact CG1-CD1 4.42Å; V7-Y24 HydrophobicContact CG1-CD2 4.26Å; V7-Y24 HydrophobicContact CG1-CE1 4.07Å; V7-Y24 HydrophobicContact CG1-CE2 3.9Å
8A90.4Very high85.6Confident0 Ų073.6 Ų73.60%039%0.39CS..Hα-helixtrans-63.8-40176.200000112.2R4 V5 L6 W12 H21 Y24 I52 V56R4-A8 PolarHBondContact O-N 3.28Å; V5-A8 WeakPolarHBondContact O-CB 3.31Å; V5-A8 PolarHBondContact O-N 2.87Å; V5-A8 VanDerWaalsContact O-N 3.1Å; L6-A8 VanDerWaalsContact C-N 3.32Å; L6-A8 PolarHBondContact O-N 3.19Å; A8-W12 WeakPolarHBondContact O-CB 3.47Å; A8-W12 PolarHBondContact O-N 2.73Å; A8-H21 WeakPolarHBondContact O-CB 3.38Å; A8-Y24 HydrophobicContact CB-CD1 4.47Å; A8-I52 HydrophobicContact CB-CG2 3.75Å; A8-V56 HydrophobicContact CB-CG2 3.96Å
9Y91.5Very high85.5Confident61 Ų6169.7 Ų69.724%0.23937%0.369CS..Hα-helixtrans-67.6-41.4174.3-81.7-63.7000113.2V5 L6 L11 W12 A13 F49 I52V5-Y9 HydrophobicContact CG1-CD2 3.69Å; V5-Y9 HydrophobicContact CG1-CE2 3.48Å; V5-Y9 VanDerWaalsContact CG1-CE2 3.48Å; V5-Y9 WeakPolarHBondContact O-CD2 3.43Å; V5-Y9 PolarHBondContact O-N 3.02Å; L6-Y9 PolarHBondContact O-N 3.47Å; Y9-L11 VanDerWaalsContact C-N 3.31Å; Y9-L11 PolarHBondContact O-N 3.35Å; Y9-W12 HydrophobicContact CD1-CE3 4.46Å; Y9-W12 PolarHBondContact O-N 3.1Å; Y9-A13 PolarHBondContact O-N 3.02Å; Y9-F49 HydrophobicContact CD1-CD2 4.19Å; Y9-F49 HydrophobicContact CD1-CE2 4.18Å; Y9-F49 AromaticContact CE1-CD2 3.6Å; Y9-F49 HydrophobicContact CE1-CD2 3.6Å; Y9-F49 AromaticContact CE1-CE2 3.67Å; Y9-F49 HydrophobicContact CE1-CE2 3.67Å; Y9-F49 HydrophobicContact CE1-CG 4.34Å; Y9-F49 HydrophobicContact CE1-CZ 4.45Å; Y9-F49 PolarHBondContact OH-O 3.3Å; Y9-I52 HydrophobicContact CD1-CD1 3.56Å; Y9-I52 HydrophobicContact CD1-CG2 4.35Å; Y9-I52 HydrophobicContact CD2-CG2 4.16Å; Y9-I52 HydrophobicContact CE1-CB 4.05Å; Y9-I52 HydrophobicContact CE1-CD1 3.57Å; Y9-I52 HydrophobicContact CE1-CG1 4.4Å; Y9-I52 HydrophobicContact CE1-CG2 4.19Å; Y9-I52 HydrophobicContact CE2-CG2 4.01Å; Y9-I52 HydrophobicContact CG-CD1 4.38Å; Y9-I52 HydrophobicContact CG-CG2 4.33Å
10A90.6Very high85.6Confident47 Ų4769.5 Ų69.539%0.38837%0.367SS..Hα-helixtrans-59.6-43.9175.900000111.3L6 V7 A13 M14L6-A10 PolarHBondContact O-N 3.42Å; V7-A10 PolarHBondContact O-N 3.04Å; A10-A13 PolarHBondContact O-N 3.11Å; A10-M14 WeakPolarHBondContact O-CG 3.36Å; A10-M14 PolarHBondContact O-N 3.48Å
11L88.8Confident85.7Confident38 Ų3866.1 Ų66.120%0.19935%0.35CS..Hα-helixtrans-67.3-35.3175.8-68.8173.2000112.8V7 Y9 M14 G15 G16 L20 H21 Y24V7-L11 HydrophobicContact CG1-CD1 4.11Å; V7-L11 HydrophobicContact CG1-CG 4.5Å; V7-L11 VanDerWaalsContact O-CG 3.31Å; V7-L11 WeakPolarHBondContact O-CG 3.32Å; V7-L11 PolarHBondContact O-N 3.46Å; Y9-L11 VanDerWaalsContact C-N 3.31Å; Y9-L11 PolarHBondContact O-N 3.35Å; L11-M14 HydrophobicContact CD2-CE 4.31Å; L11-G15 CarbonylContact O-C 3.04Å; L11-G15 PolarHBondContact O-N 3Å; L11-G16 PolarHBondContact O-N 2.91Å; L11-L20 HydrophobicContact CB-CB 4.21Å; L11-L20 HydrophobicContact CD2-CB 4.29Å; L11-H21 HydrophobicContact CB-CB 3.95Å; L11-Y24 VanDerWaalsContact CD1-CB 3.45Å; L11-Y24 HydrophobicContact CD1-CD1 4.35Å; L11-Y24 HydrophobicContact CD1-CD2 4.3Å; L11-Y24 HydrophobicContact CD1-CG 3.8Å
12W89.9Confident87Confident35 Ų3557.8 Ų57.813%0.13331%0.309CS..Hα-helixtrans-66.6-36173.8170.688.5000112.3A8 Y9 G16 H21 W45 F49 I52A8-W12 WeakPolarHBondContact O-CB 3.47Å; A8-W12 PolarHBondContact O-N 2.73Å; Y9-W12 HydrophobicContact CD1-CE3 4.46Å; Y9-W12 PolarHBondContact O-N 3.1Å; W12-G16 WeakPolarHBondContact O-CA 2.98Å; W12-G16 PolarHBondContact O-N 3.42Å; W12-H21 HydrophobicContact CB-CB 4.32Å; W12-W45 AromaticContact CD1-CD1 3.85Å; W12-W45 AromaticContact CD1-NE1 3.95Å; W12-W45 AromaticContact CD2-NE1 3.97Å; W12-W45 AromaticContact CE2-CD1 3.75Å; W12-W45 AromaticContact CE2-CE2 3.9Å; W12-W45 AromaticContact CE2-NE1 3.31Å; W12-W45 VanDerWaalsContact CE2-NE1 3.31Å; W12-W45 AromaticContact CH2-CZ2 3.94Å; W12-W45 HydrophobicContact CH2-CZ2 3.94Å; W12-W45 HydrophobicContact CZ2-CD2 4.25Å; W12-W45 AromaticContact CZ2-CE2 3.6Å; W12-W45 AromaticContact CZ2-CZ2 3.83Å; W12-W45 HydrophobicContact CZ2-CZ2 3.83Å; W12-W45 AromaticContact CZ2-NE1 3.53Å; W12-W45 AromaticContact NE1-CD1 3.25Å; W12-W45 VanDerWaalsContact NE1-CD1 3.25Å; W12-W45 AromaticContact NE1-NE1 3.33Å; W12-W45 PolarHBondContact NE1-O 3.09Å; W12-W45 VanDerWaalsContact NE1-O 3.09Å; W12-F49 HydrophobicContact CH2-CB 4.44Å; W12-F49 AromaticContact CH2-CD2 3.86Å; W12-F49 HydrophobicContact CH2-CD2 3.86Å; W12-F49 HydrophobicContact CZ2-CB 4.1Å; W12-F49 HydrophobicContact CZ2-CD2 4.29Å; W12-F49 AromaticContact CZ3-CD2 4Å; W12-F49 HydrophobicContact CZ3-CD2 4Å; W12-I52 HydrophobicContact CB-CD1 3.75Å; W12-I52 HydrophobicContact CD2-CD1 4.22Å; W12-I52 HydrophobicContact CG-CD1 3.66Å
13A85.4Confident87.3Confident71 Ų7154.4 Ų54.459%0.58729%0.287SS*.Hα-helixtrans-72.7-44.7177.100000112Y9 A10Y9-A13 PolarHBondContact O-N 3.02Å; A10-A13 PolarHBondContact O-N 3.11Å
14M85.8Confident87.3Confident147 Ų14754.3 Ų54.372%0.72429%0.286SS*.Hα-helixtrans-78-31.7-177-65.4-171.6-58.200113.8A10 L11A10-M14 WeakPolarHBondContact O-CG 3.36Å; A10-M14 PolarHBondContact O-N 3.48Å; L11-M14 HydrophobicContact CD2-CE 4.31Å
15G81.1Confident87.2Confident3 Ų346.2 Ų46.23%0.03126%0.256CS..Hα-helixtrans-15135.5-174.100000113L11 L18 G19 L20L11-G15 CarbonylContact O-C 3.04Å; L11-G15 PolarHBondContact O-N 3Å; G15-L18 CarbonylContact O-C 3.44Å; G15-L18 WeakPolarHBondContact O-CA 3.37Å; G15-L18 WeakPolarHBondContact O-CB 3.33Å; G15-L18 PolarHBondContact O-N 2.94Å; G15-L18 VanDerWaalsContact O-N 3.07Å; G15-G19 PolarHBondContact O-N 3.35Å; G15-G19 VanDerWaalsContact O-N 3.1Å; G15-L20 PolarHBondContact O-N 3.02Å
16G77.1Confident86.9Confident0 Ų044.6 Ų44.60%025%0.251CS..THydrogen-bonded Turntrans-52-53.5177.300000113L11 W12 L18 G19 W34L11-G16 PolarHBondContact O-N 2.91Å; W12-G16 WeakPolarHBondContact O-CA 2.98Å; W12-G16 PolarHBondContact O-N 3.42Å; G16-L18 PolarHBondContact O-N 3.13Å; G16-G19 PolarHBondContact O-N 3Å; G16-W34 VanDerWaalsContact O-CD1 3.31Å
17P77.7Confident86.8Confident58 Ų5839.2 Ų39.238%0.37722%0.22SC..THydrogen-bonded Turntrans-59.3-28.7177-25.835.3000113.9G19 W34 G39P17-G19 VanDerWaalsContact C-N 3.32Å; P17-W34 CarbonylContact O-C 3.59Å; P17-W34 VanDerWaalsContact O-O 3.08Å; P17-G39 PolarHBondContact O-N 3.39Å
18L83.8Confident86.8Confident98 Ų9838.3 Ų38.351%0.51321%0.213SC..THydrogen-bonded Turntrans-82.5-6.3176.1-59.7177000113.1G15 G16 L20 M35G15-L18 CarbonylContact O-C 3.44Å; G15-L18 WeakPolarHBondContact O-CA 3.37Å; G15-L18 WeakPolarHBondContact O-CB 3.33Å; G15-L18 PolarHBondContact O-N 2.94Å; G15-L18 VanDerWaalsContact O-N 3.07Å; G16-L18 PolarHBondContact O-N 3.13Å; L18-L20 HydrophobicContact CB-CG 4.42Å; L18-L20 PolarHBondContact O-N 3.38Å; L18-M35 WeakPolarHBondContact O-CG 3.49Å
19G84.9Confident86.8Confident0 Ų039.8 Ų39.80%022%0.224CC..THydrogen-bonded Turntrans72.324.6177.100000114.9G15 G16 P17 H21 H22 L23G15-G19 PolarHBondContact O-N 3.35Å; G15-G19 VanDerWaalsContact O-N 3.1Å; G16-G19 PolarHBondContact O-N 3Å; P17-G19 VanDerWaalsContact C-N 3.32Å; G19-H21 VanDerWaalsContact C-N 3.3Å; G19-H21 PolarHBondContact O-N 3.47Å; G19-H22 WeakPolarHBondContact O-CB 3.42Å; G19-H22 PolarHBondContact O-N 3.27Å; G19-L23 PolarHBondContact O-N 3.48Å
20L87.8Confident86.9Confident64 Ų6437.1 Ų37.134%0.33521%0.214SC..Hα-helixtrans-59.2-38.2-177.4-67.8-176.8000113.2L11 G15 L18 H22 L23 Y24L11-L20 HydrophobicContact CB-CB 4.21Å; L11-L20 HydrophobicContact CD2-CB 4.29Å; G15-L20 PolarHBondContact O-N 3.02Å; L18-L20 HydrophobicContact CB-CG 4.42Å; L18-L20 PolarHBondContact O-N 3.38Å; L20-H22 VanDerWaalsContact C-N 3.27Å; L20-H22 PolarHBondContact O-N 3.41Å; L20-L23 HydrophobicContact CD2-CD1 4.17Å; L20-L23 WeakPolarHBondContact O-CB 3.46Å; L20-L23 PolarHBondContact O-N 2.93Å; L20-Y24 PolarHBondContact O-N 3.44Å; L20-Y24 VanDerWaalsContact O-N 3.08Å
21H88.1Confident86.9Confident0 Ų034.9 Ų34.90%020%0.195CC..Hα-helixtrans-65.3-31176.761.6-63000112A8 L11 W12 G19 Y24 L25 E48A8-H21 WeakPolarHBondContact O-CB 3.38Å; L11-H21 HydrophobicContact CB-CB 3.95Å; W12-H21 HydrophobicContact CB-CB 4.32Å; G19-H21 VanDerWaalsContact C-N 3.3Å; G19-H21 PolarHBondContact O-N 3.47Å; H21-Y24 PolarHBondContact O-N 3.08Å; H21-L25 WeakPolarHBondContact O-CB 3.18Å; H21-L25 WeakPolarHBondContact O-CD1 3.3Å; H21-L25 WeakPolarHBondContact O-CG 3.49Å; H21-L25 PolarHBondContact O-N 3.31Å; H21-L25 VanDerWaalsContact O-N 3.08Å; H21-E48 IonicContact CD2-OE2 3.2Å; H21-E48 IonicContact CE1-OE2 3.31Å; H21-E48 PolarHBondContact CE1-OE2 3.22Å; H21-E48 IonicContact NE2-OE1 3Å; H21-E48 IonicContact NE2-OE2 2.87Å; H21-E48 PolarHBondContact NE2-OE2 2.88Å
22H89.8Confident87.1Confident0 Ų034.2 Ų34.20%019%0.192CC..Hα-helixtrans-70.4-37.5173.3-70.2-47.4000112.6G19 L20 Y24 L25 G26 R27 H30 A31 W34 E48 Y55G19-H22 WeakPolarHBondContact O-CB 3.42Å; G19-H22 PolarHBondContact O-N 3.27Å; L20-H22 VanDerWaalsContact C-N 3.27Å; L20-H22 PolarHBondContact O-N 3.41Å; H22-Y24 VanDerWaalsContact C-N 3.33Å; H22-L25 CarbonylContact O-C 3.38Å; H22-L25 PolarHBondContact O-N 3.33Å; H22-G26 PolarHBondContact O-N 2.97Å; H22-G26 VanDerWaalsContact O-N 3.11Å; H22-R27 HydrophobicContact CB-CB 4.15Å; H22-R27 PolarHBondContact O-N 2.95Å; H22-H30 HydrophobicContact CB-CB 4.29Å; H22-H30 AromaticContact CD2-CG 3.92Å; H22-H30 AromaticContact CD2-ND1 3.56Å; H22-H30 AromaticContact CE1-CE1 3.22Å; H22-H30 PolarHBondContact CE1-CE1 2.97Å; H22-H30 AromaticContact CE1-CG 3.94Å; H22-H30 AromaticContact CE1-ND1 2.88Å; H22-H30 PolarHBondContact CE1-ND1 3.08Å; H22-H30 AromaticContact CG-CG 3.89Å; H22-H30 AromaticContact CG-ND1 3.46Å; H22-H30 AromaticContact ND1-CE1 3.81Å; H22-H30 AromaticContact ND1-CG 3.86Å; H22-H30 AromaticContact ND1-ND1 2.99Å; H22-H30 PolarHBondContact ND1-ND1 3.44Å; H22-H30 AromaticContact NE2-CE1 3.35Å; H22-H30 PolarHBondContact NE2-CE1 3.41Å; H22-H30 AromaticContact NE2-CG 3.9Å; H22-H30 AromaticContact NE2-ND1 3.17Å; H22-H30 PolarHBondContact NE2-ND1 3.18Å; H22-H30 VanDerWaalsContact NE2-ND1 3.17Å; H22-A31 HydrophobicContact CB-CB 3.77Å; H22-W34 AromaticContact NE2-CE2 3.97Å; H22-E48 IonicContact CD2-OE2 3.74Å; H22-E48 IonicContact CE1-OE1 2.82Å; H22-E48 PolarHBondContact CE1-OE1 3.1Å; H22-E48 IonicContact CE1-OE2 2.64Å; H22-E48 IonicContact NE2-OE1 3.36Å; H22-E48 PolarHBondContact NE2-OE1 3.35Å; H22-E48 IonicContact NE2-OE2 3.79Å; H22-E48 PolarHBondContact NE2-OE2 2.99Å; H22-Y55 AromaticContact CE1-CE2 3.93Å
23L89.3Confident87.3Confident26 Ų2633.1 Ų33.114%0.13619%0.188CC..Hα-helixtrans-60.7-44.9173.2-65.9176.6000111.2G19 L20 L25 G26 A31 R185 L186 I189G19-L23 PolarHBondContact O-N 3.48Å; L20-L23 HydrophobicContact CD2-CD1 4.17Å; L20-L23 WeakPolarHBondContact O-CB 3.46Å; L20-L23 PolarHBondContact O-N 2.93Å; L23-L25 VanDerWaalsContact C-N 3.3Å; L23-L25 PolarHBondContact O-N 3.23Å; L23-G26 PolarHBondContact O-N 3.27Å; L23-A31 HydrophobicContact CD2-CB 3.45Å; L23-A31 VanDerWaalsContact CD2-CB 3.45Å; L23-A31 HydrophobicContact CG-CB 3.64Å; L23-R185 PolarHBondContact O-NH2 2.82Å; L23-L186 HydrophobicContact CD1-CD2 4.22Å; L23-I189 HydrophobicContact CD2-CD1 3.26Å
24Y88.4Confident87.5Confident54 Ų5430.7 Ų30.721%0.21216%0.164CC..Hα-helixtrans-59.5-40.3176.2173.3-107.9000112.4K3 R4 V7 A8 L11 L20 H21 H22 G26K3-Y24 WeakPolarHBondContact CA-OH 3.34Å; K3-Y24 HydrophobicContact CB-CE1 3.94Å; K3-Y24 HydrophobicContact CD-CD1 4.37Å; K3-Y24 HydrophobicContact CD-CE1 3.83Å; K3-Y24 HydrophobicContact CD-CE2 3.99Å; K3-Y24 WeakPolarHBondContact CE-O 3.45Å; K3-Y24 HydrophobicContact CG-CE1 4.4Å; K3-Y24 PolarHBondContact NZ-O 3.42Å; R4-Y24 PolarHBondContact N-OH 2.95Å; V7-Y24 HydrophobicContact CB-CE1 4.2Å; V7-Y24 HydrophobicContact CG1-CD1 4.42Å; V7-Y24 HydrophobicContact CG1-CD2 4.26Å; V7-Y24 HydrophobicContact CG1-CE1 4.07Å; V7-Y24 HydrophobicContact CG1-CE2 3.9Å; A8-Y24 HydrophobicContact CB-CD1 4.47Å; L11-Y24 VanDerWaalsContact CD1-CB 3.45Å; L11-Y24 HydrophobicContact CD1-CD1 4.35Å; L11-Y24 HydrophobicContact CD1-CD2 4.3Å; L11-Y24 HydrophobicContact CD1-CG 3.8Å; L20-Y24 PolarHBondContact O-N 3.44Å; L20-Y24 VanDerWaalsContact O-N 3.08Å; H21-Y24 PolarHBondContact O-N 3.08Å; H22-Y24 VanDerWaalsContact C-N 3.33Å; Y24-G26 VanDerWaalsContact C-N 3.29Å; Y24-G26 PolarHBondContact O-N 3.03Å
25L87Confident87.8Confident10 Ų1025.7 Ų25.75%0.05214%0.139CC..THydrogen-bonded Turntrans-80.6-1.8180-66172.2000114.2K3 H21 H22 L23 R27 V56 A59K3-L25 HydrophobicContact CB-CD2 4.2Å; K3-L25 HydrophobicContact CG-CD2 4.39Å; H21-L25 WeakPolarHBondContact O-CB 3.18Å; H21-L25 WeakPolarHBondContact O-CD1 3.3Å; H21-L25 WeakPolarHBondContact O-CG 3.49Å; H21-L25 PolarHBondContact O-N 3.31Å; H21-L25 VanDerWaalsContact O-N 3.08Å; H22-L25 CarbonylContact O-C 3.38Å; H22-L25 PolarHBondContact O-N 3.33Å; L23-L25 VanDerWaalsContact C-N 3.3Å; L23-L25 PolarHBondContact O-N 3.23Å; L25-R27 HydrophobicContact CB-CG 4.27Å; L25-V56 HydrophobicContact CD2-CB 4.37Å; L25-V56 HydrophobicContact CD2-CG2 3.8Å; L25-A59 HydrophobicContact CB-CB 4.48Å; L25-A59 HydrophobicContact CD2-CB 3.98Å
26G85.8Confident88.2Confident23 Ų2326 Ų2624%0.23714%0.14CC..THydrogen-bonded Turntrans82.616.5178.600000114.7H22 L23 Y24H22-G26 PolarHBondContact O-N 2.97Å; H22-G26 VanDerWaalsContact O-N 3.11Å; L23-G26 PolarHBondContact O-N 3.27Å; Y24-G26 VanDerWaalsContact C-N 3.29Å; Y24-G26 PolarHBondContact O-N 3.03Å
27R88.9Confident88.7Confident32 Ų3226.3 Ų26.312%0.12114%0.142CC..  trans-103.364.3-173.6-59.5174.573.4114.2-0.5111.3H22 L25 S29 H30 A31 E58H22-R27 HydrophobicContact CB-CB 4.15Å; H22-R27 PolarHBondContact O-N 2.95Å; L25-R27 HydrophobicContact CB-CG 4.27Å; R27-S29 PolarHBondContact O-N 2.99Å; R27-H30 HydrophobicContact CB-CB 3.89Å; R27-H30 PolarHBondContact NE-ND1 2.9Å; R27-H30 WeakPolarHBondContact O-CA 3.31Å; R27-H30 VanDerWaalsContact O-CB 3.31Å; R27-H30 WeakPolarHBondContact O-CB 3.47Å; R27-H30 PolarHBondContact O-N 3.36Å; R27-A31 PolarHBondContact O-N 3.38Å; R27-E58 IonicContact CZ-OE2 3.8Å; R27-E58 IonicContact NH1-OE2 3.74Å; R27-E58 PolarHBondContact NH1-OE2 3.41Å
28D91.1Very high89.1Confident37 Ų3729.6 Ų29.620%0.19816%0.156CC..Hα-helixtrans-57.2-45.5-170.4-65.2-16.5000114.3H30 A31 L32 R185 I189D28-H30 PolarHBondContact O-N 3.34Å; D28-A31 PolarHBondContact O-N 3.33Å; D28-L32 WeakPolarHBondContact O-CB 3.47Å; D28-L32 PolarHBondContact O-N 3.22Å; D28-R185 IonicContact OD1-CZ 3.84Å; D28-R185 VanDerWaalsContact OD1-CZ 3.31Å; D28-R185 IonicContact OD1-NE 3.86Å; D28-R185 PolarHBondContact OD1-NE 3.09Å; D28-R185 IonicContact OD1-NH2 3.59Å; D28-R185 PolarHBondContact OD1-NH2 2.67Å; D28-R185 IonicContact OD2-CZ 2.79Å; D28-R185 IonicContact OD2-NE 2.89Å; D28-R185 PolarHBondContact OD2-NE 3.1Å; D28-R185 IonicContact OD2-NH2 2.81Å; D28-I189 HydrophobicContact CB-CD1 3.76Å; D28-I189 HydrophobicContact CB-CG1 4.31Å
29S91.2Very high88.9Confident31 Ų3125 Ų2522%0.21713%0.131CC..Hα-helixtrans-62.9-31.4176.8-49.10000112.6R27 L33 L121R27-S29 PolarHBondContact O-N 2.99Å; S29-L33 WeakPolarHBondContact O-CB 3.41Å; S29-L33 PolarHBondContact O-N 2.98Å; S29-L121 WeakPolarHBondContact O-CD1 3.47Å
30H91.7Very high88.6Confident6 Ų625.8 Ų25.83%0.02814%0.14CC..Hα-helixtrans-75.8-40.8178.6-155.2-154000110.8H22 R27 D28 L33 W34 E48 V125H22-H30 HydrophobicContact CB-CB 4.29Å; H22-H30 AromaticContact CD2-CG 3.92Å; H22-H30 AromaticContact CD2-ND1 3.56Å; H22-H30 AromaticContact CE1-CE1 3.22Å; H22-H30 PolarHBondContact CE1-CE1 2.97Å; H22-H30 AromaticContact CE1-CG 3.94Å; H22-H30 AromaticContact CE1-ND1 2.88Å; H22-H30 PolarHBondContact CE1-ND1 3.08Å; H22-H30 AromaticContact CG-CG 3.89Å; H22-H30 AromaticContact CG-ND1 3.46Å; H22-H30 AromaticContact ND1-CE1 3.81Å; H22-H30 AromaticContact ND1-CG 3.86Å; H22-H30 AromaticContact ND1-ND1 2.99Å; H22-H30 PolarHBondContact ND1-ND1 3.44Å; H22-H30 AromaticContact NE2-CE1 3.35Å; H22-H30 PolarHBondContact NE2-CE1 3.41Å; H22-H30 AromaticContact NE2-CG 3.9Å; H22-H30 AromaticContact NE2-ND1 3.17Å; H22-H30 PolarHBondContact NE2-ND1 3.18Å; H22-H30 VanDerWaalsContact NE2-ND1 3.17Å; R27-H30 HydrophobicContact CB-CB 3.89Å; R27-H30 PolarHBondContact NE-ND1 2.9Å; R27-H30 WeakPolarHBondContact O-CA 3.31Å; R27-H30 VanDerWaalsContact O-CB 3.31Å; R27-H30 WeakPolarHBondContact O-CB 3.47Å; R27-H30 PolarHBondContact O-N 3.36Å; D28-H30 PolarHBondContact O-N 3.34Å; H30-L33 PolarHBondContact O-N 3.34Å; H30-W34 AromaticContact CD2-CE3 3.54Å; H30-W34 AromaticContact CD2-CH2 3.67Å; H30-W34 AromaticContact CD2-CZ3 3.04Å; H30-W34 WeakPolarHBondContact CD2-CZ3 3.4Å; H30-W34 AromaticContact CE1-CH2 3.73Å; H30-W34 AromaticContact CE1-CZ3 3.88Å; H30-W34 AromaticContact NE2-CE3 3.82Å; H30-W34 AromaticContact NE2-CH2 3.04Å; H30-W34 WeakPolarHBondContact NE2-CH2 3.38Å; H30-W34 AromaticContact NE2-CZ2 3.95Å; H30-W34 AromaticContact NE2-CZ3 2.97Å; H30-W34 WeakPolarHBondContact NE2-CZ3 3.27Å; H30-W34 PolarHBondContact O-N 2.91Å; H30-E48 IonicContact CE1-OE1 2.76Å; H30-E48 PolarHBondContact CE1-OE1 3.17Å; H30-V125 WeakPolarHBondContact CD2-CG1 3.42Å
31A92.1Very high88.2Confident0 Ų027.3 Ų27.30%014%0.144CC..Hα-helixtrans-59.3-5017200000111.3H22 L23 R27 D28 L33 W34 M35H22-A31 HydrophobicContact CB-CB 3.77Å; L23-A31 HydrophobicContact CD2-CB 3.45Å; L23-A31 VanDerWaalsContact CD2-CB 3.45Å; L23-A31 HydrophobicContact CG-CB 3.64Å; R27-A31 PolarHBondContact O-N 3.38Å; D28-A31 PolarHBondContact O-N 3.33Å; A31-L33 VanDerWaalsContact C-N 3.33Å; A31-L33 PolarHBondContact O-N 3.11Å; A31-W34 WeakPolarHBondContact O-CB 3.49Å; A31-W34 PolarHBondContact O-N 3.05Å; A31-W34 VanDerWaalsContact O-N 3.08Å; A31-M35 WeakPolarHBondContact O-CG 3.44Å; A31-M35 PolarHBondContact O-N 3.23Å
32L93.3Very high87.7Confident24 Ų2429.3 Ų29.313%0.12616%0.164CC..Hα-helixtrans-59.5-43.9177.9-177.664.7000111.4D28 W34 M35 L36 L121 I189 A192 W193D28-L32 WeakPolarHBondContact O-CB 3.47Å; D28-L32 PolarHBondContact O-N 3.22Å; L32-W34 VanDerWaalsContact C-N 3.28Å; L32-W34 PolarHBondContact O-N 3.33Å; L32-M35 PolarHBondContact O-N 3.47Å; L32-L36 HydrophobicContact CD1-CD1 3.88Å; L32-L36 HydrophobicContact CD1-CD2 4.41Å; L32-L36 HydrophobicContact CD1-CG 3.98Å; L32-L36 HydrophobicContact CG-CD1 3.87Å; L32-L36 HydrophobicContact CG-CG 4.27Å; L32-L36 WeakPolarHBondContact O-CB 3.36Å; L32-L36 VanDerWaalsContact O-CG 3.24Å; L32-L36 WeakPolarHBondContact O-CG 3.23Å; L32-L36 PolarHBondContact O-N 2.89Å; L32-L121 HydrophobicContact CB-CD1 4.32Å; L32-L121 HydrophobicContact CD2-CD1 3.95Å; L32-L121 HydrophobicContact CG-CD1 4.29Å; L32-L121 HydrophobicContact CG-CD2 4.47Å; L32-I189 HydrophobicContact CD1-CG2 4.24Å; L32-A192 HydrophobicContact CD1-CB 4.01Å; L32-A192 HydrophobicContact CD2-CB 3.63Å; L32-W193 HydrophobicContact CD1-CB 4.3Å
33L92.4Very high87.1Confident12 Ų1237.2 Ų37.26%0.06320%0.199CC..Hα-helixtrans-56.4-43.7174.617861.1000111.8S29 H30 A31 L36 T37 V88 L121 V122 V125S29-L33 WeakPolarHBondContact O-CB 3.41Å; S29-L33 PolarHBondContact O-N 2.98Å; H30-L33 PolarHBondContact O-N 3.34Å; A31-L33 VanDerWaalsContact C-N 3.33Å; A31-L33 PolarHBondContact O-N 3.11Å; L33-L36 PolarHBondContact O-N 3.04Å; L33-T37 HydrophobicContact CD1-CG2 3.77Å; L33-T37 WeakPolarHBondContact O-CB 3.37Å; L33-T37 WeakPolarHBondContact O-CG2 3.47Å; L33-T37 PolarHBondContact O-N 3.2Å; L33-T37 PolarHBondContact O-OG1 3.45Å; L33-V88 HydrophobicContact CD1-CG1 3.9Å; L33-V88 HydrophobicContact CD1-CG2 3.91Å; L33-L121 HydrophobicContact CB-CD2 4.1Å; L33-L121 HydrophobicContact CB-CG 4.14Å; L33-L121 HydrophobicContact CD1-CD2 4.06Å; L33-L121 HydrophobicContact CD1-CG 4.39Å; L33-V122 HydrophobicContact CD1-CG2 4.17Å; L33-V122 HydrophobicContact CD2-CG2 4.16Å; L33-V125 HydrophobicContact CD2-CG2 3.73Å
34W91.1Very high86.6Confident20 Ų2036.7 Ų36.78%0.07620%0.2CC..Hα-helixtrans-64.6-46.5177.9-97.8-123.2000111.9G16 P17 H22 H30 A31 L32 L36 T37 L38 G39 E48G16-W34 VanDerWaalsContact O-CD1 3.31Å; P17-W34 CarbonylContact O-C 3.59Å; P17-W34 VanDerWaalsContact O-O 3.08Å; H22-W34 AromaticContact NE2-CE2 3.97Å; H30-W34 AromaticContact CD2-CE3 3.54Å; H30-W34 AromaticContact CD2-CH2 3.67Å; H30-W34 AromaticContact CD2-CZ3 3.04Å; H30-W34 WeakPolarHBondContact CD2-CZ3 3.4Å; H30-W34 AromaticContact CE1-CH2 3.73Å; H30-W34 AromaticContact CE1-CZ3 3.88Å; H30-W34 AromaticContact NE2-CE3 3.82Å; H30-W34 AromaticContact NE2-CH2 3.04Å; H30-W34 WeakPolarHBondContact NE2-CH2 3.38Å; H30-W34 AromaticContact NE2-CZ2 3.95Å; H30-W34 AromaticContact NE2-CZ3 2.97Å; H30-W34 WeakPolarHBondContact NE2-CZ3 3.27Å; H30-W34 PolarHBondContact O-N 2.91Å; A31-W34 WeakPolarHBondContact O-CB 3.49Å; A31-W34 PolarHBondContact O-N 3.05Å; A31-W34 VanDerWaalsContact O-N 3.08Å; L32-W34 VanDerWaalsContact C-N 3.28Å; L32-W34 PolarHBondContact O-N 3.33Å; W34-L36 VanDerWaalsContact C-N 3.28Å; W34-L36 PolarHBondContact O-N 3.44Å; W34-T37 PolarHBondContact O-N 3.1Å; W34-L38 WeakPolarHBondContact O-CA 3.48Å; W34-L38 PolarHBondContact O-N 3.36Å; W34-G39 PolarHBondContact O-N 3.26Å; W34-E48 HydrophobicContact CZ2-CG 3.6Å; W34-E48 WeakPolarHBondContact CZ2-OE2 3.33Å; W34-E48 PolarHBondContact NE1-OE2 3.4Å
35M90.7Very high86.1Confident42 Ų4239 Ų3921%0.20721%0.208CC..Hα-helixtrans-58.2-40.4177.4-66.1173.37500112.2L18 A31 L32 I189 W193L18-M35 WeakPolarHBondContact O-CG 3.49Å; A31-M35 WeakPolarHBondContact O-CG 3.44Å; A31-M35 PolarHBondContact O-N 3.23Å; L32-M35 PolarHBondContact O-N 3.47Å; M35-I189 HydrophobicContact SD-CG2 3.77Å; M35-W193 HydrophobicContact CE-CB 4.32Å; M35-W193 HydrophobicContact CE-CG 3.94Å
36L90Very high85.9Confident10 Ų1041.3 Ų41.35%0.05223%0.229CC..Hα-helixtrans-82.2-22.3-176.3-62.3-176.2000113.7L32 L33 W34 Y91 F92 L121 W193 F196L32-L36 HydrophobicContact CD1-CD1 3.88Å; L32-L36 HydrophobicContact CD1-CD2 4.41Å; L32-L36 HydrophobicContact CD1-CG 3.98Å; L32-L36 HydrophobicContact CG-CD1 3.87Å; L32-L36 HydrophobicContact CG-CG 4.27Å; L32-L36 WeakPolarHBondContact O-CB 3.36Å; L32-L36 VanDerWaalsContact O-CG 3.24Å; L32-L36 WeakPolarHBondContact O-CG 3.23Å; L32-L36 PolarHBondContact O-N 2.89Å; L33-L36 PolarHBondContact O-N 3.04Å; W34-L36 VanDerWaalsContact C-N 3.28Å; W34-L36 PolarHBondContact O-N 3.44Å; L36-Y91 VanDerWaalsContact O-CE1 3.24Å; L36-Y91 WeakPolarHBondContact O-CE1 3.46Å; L36-Y91 PolarHBondContact O-OH 3.45Å; L36-F92 HydrophobicContact CD1-CE1 4.34Å; L36-F92 HydrophobicContact CD1-CE2 4.4Å; L36-F92 HydrophobicContact CD1-CZ 3.58Å; L36-L121 HydrophobicContact CD1-CD2 4.12Å; L36-W193 HydrophobicContact CD2-CG 4.48Å; L36-F196 HydrophobicContact CB-CE1 4.46Å; L36-F196 HydrophobicContact CD1-CB 4.25Å; L36-F196 HydrophobicContact CD1-CD2 4.15Å; L36-F196 HydrophobicContact CD1-CG 4.08Å; L36-F196 HydrophobicContact CD2-CB 3.73Å; L36-F196 HydrophobicContact CD2-CD1 3.55Å; L36-F196 HydrophobicContact CD2-CE1 4.24Å; L36-F196 HydrophobicContact CD2-CG 3.67Å; L36-F196 HydrophobicContact CG-CD1 4.42Å; L36-F196 HydrophobicContact CG-CG 4.38Å
37T88.3Confident85.8Confident5 Ų545.4 Ų45.43%0.03124%0.238CC..Hα-helixtrans-112.59.3-178.261.70000113.2L33 W34 G39 G40 F41 V88 Y91L33-T37 HydrophobicContact CD1-CG2 3.77Å; L33-T37 WeakPolarHBondContact O-CB 3.37Å; L33-T37 WeakPolarHBondContact O-CG2 3.47Å; L33-T37 PolarHBondContact O-N 3.2Å; L33-T37 PolarHBondContact O-OG1 3.45Å; W34-T37 PolarHBondContact O-N 3.1Å; T37-G39 PolarHBondContact O-N 3.35Å; T37-G40 VanDerWaalsContact OG1-CA 3.28Å; T37-G40 WeakPolarHBondContact OG1-CA 3.41Å; T37-G40 PolarHBondContact OG1-N 3.09Å; T37-F41 HydrophobicContact CG2-CE1 4.32Å; T37-F41 HydrophobicContact CG2-CE2 4.28Å; T37-F41 HydrophobicContact CG2-CZ 3.96Å; T37-F41 WeakPolarHBondContact O-CA 3.41Å; T37-F41 PolarHBondContact O-N 2.93Å; T37-V88 HydrophobicContact CG2-CG2 4.42Å; T37-Y91 HydrophobicContact CG2-CD1 4.14Å; T37-Y91 HydrophobicContact CG2-CE1 4.03Å
38L84.9Confident85.5Confident128 Ų12844.1 Ų44.167%0.6723%0.233SC*.Hα-helixtrans52.254.5-176.7-56.4175.9000112.2W34 G42W34-L38 WeakPolarHBondContact O-CA 3.48Å; W34-L38 PolarHBondContact O-N 3.36Å; L38-G42 PolarHBondContact O-N 3.47Å
39G79.9Confident85.3Confident0 Ų047.5 Ų47.50%025%0.246CC..Hα-helixtrans82.230.6178.300000115P17 W34 T37 G44 W45P17-G39 PolarHBondContact O-N 3.39Å; W34-G39 PolarHBondContact O-N 3.26Å; T37-G39 PolarHBondContact O-N 3.35Å; G39-G44 CarbonylContact O-C 3.51Å; G39-G44 VanDerWaalsContact O-CA 3.3Å; G39-G44 WeakPolarHBondContact O-CA 3.35Å; G39-G44 PolarHBondContact O-N 2.67Å; G39-W45 PolarHBondContact O-N 3.07Å
40G79.4Confident85.1Confident18 Ų1852.6 Ų52.619%0.18627%0.27CS..Hα-helixtrans72.348.1-178.100000112T37 G42 G44T37-G40 VanDerWaalsContact OG1-CA 3.28Å; T37-G40 WeakPolarHBondContact OG1-CA 3.41Å; T37-G40 PolarHBondContact OG1-N 3.09Å; G40-G42 VanDerWaalsContact C-N 3.28Å; G40-G42 PolarHBondContact O-N 2.85Å; G40-G44 PolarHBondContact O-N 3.17Å; G40-G44 VanDerWaalsContact O-N 3.14Å
41F79.4Confident85Confident96 Ų9657.3 Ų57.342%0.42129%0.287SS..Hα-helixtrans59.235.7-175.9-50-72.8000112.9T37 F43 V88 Y91T37-F41 HydrophobicContact CG2-CE1 4.32Å; T37-F41 HydrophobicContact CG2-CE2 4.28Å; T37-F41 HydrophobicContact CG2-CZ 3.96Å; T37-F41 WeakPolarHBondContact O-CA 3.41Å; T37-F41 PolarHBondContact O-N 2.93Å; F41-F43 VanDerWaalsContact O-CD2 3.31Å; F41-F43 WeakPolarHBondContact O-CD2 3.03Å; F41-F43 PolarHBondContact O-N 3.42Å; F41-V88 HydrophobicContact CE2-CG2 4.08Å; F41-V88 HydrophobicContact CZ-CG2 4.41Å; F41-Y91 HydrophobicContact CE1-CD1 4.24Å; F41-Y91 HydrophobicContact CE1-CD2 4.1Å; F41-Y91 AromaticContact CE1-CG 3.96Å; F41-Y91 HydrophobicContact CE1-CG 3.96Å; F41-Y91 HydrophobicContact CZ-CD1 4.12Å; F41-Y91 AromaticContact CZ-CG 3.96Å; F41-Y91 HydrophobicContact CZ-CG 3.96Å
42G76.8Confident84.8Confident41 Ų4157.3 Ų57.342%0.42329%0.287SS..THydrogen-bonded Turntrans76.1-39.3-178.500000115.3L38 G40 G44 W45L38-G42 PolarHBondContact O-N 3.47Å; G40-G42 VanDerWaalsContact C-N 3.28Å; G40-G42 PolarHBondContact O-N 2.85Å; G42-G44 PolarHBondContact O-N 2.84Å; G42-W45 PolarHBondContact O-N 3.15Å
43F76.6Confident84.6Confident167 Ų16758.9 Ų58.973%0.73230%0.299SS*.Hα-helixtrans-69.5-33.1179.2-62-76.1000113F41 W45 A46 R47F41-F43 VanDerWaalsContact O-CD2 3.31Å; F41-F43 WeakPolarHBondContact O-CD2 3.03Å; F41-F43 PolarHBondContact O-N 3.42Å; F43-W45 VanDerWaalsContact C-N 3.3Å; F43-W45 PolarHBondContact O-N 2.99Å; F43-A46 PolarHBondContact O-N 3.45Å; F43-R47 PolarHBondContact O-N 2.81Å
44G79.7Confident84.3Confident15 Ų1561.3 Ų61.316%0.15532%0.32CS..Hα-helixtrans-56.2-46.3177.100000111.7G39 G40 G42 A46 R47 E48G39-G44 CarbonylContact O-C 3.51Å; G39-G44 VanDerWaalsContact O-CA 3.3Å; G39-G44 WeakPolarHBondContact O-CA 3.35Å; G39-G44 PolarHBondContact O-N 2.67Å; G40-G44 PolarHBondContact O-N 3.17Å; G40-G44 VanDerWaalsContact O-N 3.14Å; G42-G44 PolarHBondContact O-N 2.84Å; G44-A46 PolarHBondContact O-N 3.19Å; G44-R47 PolarHBondContact O-N 3.35Å; G44-E48 WeakPolarHBondContact O-CG 3.36Å; G44-E48 PolarHBondContact O-N 3.48Å; G44-E48 VanDerWaalsContact O-N 3.11Å
45W78.9Confident84.2Confident101 Ų10161.3 Ų61.338%0.38332%0.321SS..Hα-helixtrans-54.7-45.5-179.7174.568.1000113.5W12 G39 G42 F43 E48W12-W45 AromaticContact CD1-CD1 3.85Å; W12-W45 AromaticContact CD1-NE1 3.95Å; W12-W45 AromaticContact CD2-NE1 3.97Å; W12-W45 AromaticContact CE2-CD1 3.75Å; W12-W45 AromaticContact CE2-CE2 3.9Å; W12-W45 AromaticContact CE2-NE1 3.31Å; W12-W45 VanDerWaalsContact CE2-NE1 3.31Å; W12-W45 AromaticContact CH2-CZ2 3.94Å; W12-W45 HydrophobicContact CH2-CZ2 3.94Å; W12-W45 HydrophobicContact CZ2-CD2 4.25Å; W12-W45 AromaticContact CZ2-CE2 3.6Å; W12-W45 AromaticContact CZ2-CZ2 3.83Å; W12-W45 HydrophobicContact CZ2-CZ2 3.83Å; W12-W45 AromaticContact CZ2-NE1 3.53Å; W12-W45 AromaticContact NE1-CD1 3.25Å; W12-W45 VanDerWaalsContact NE1-CD1 3.25Å; W12-W45 AromaticContact NE1-NE1 3.33Å; W12-W45 PolarHBondContact NE1-O 3.09Å; W12-W45 VanDerWaalsContact NE1-O 3.09Å; G39-W45 PolarHBondContact O-N 3.07Å; G42-W45 PolarHBondContact O-N 3.15Å; F43-W45 VanDerWaalsContact C-N 3.3Å; F43-W45 PolarHBondContact O-N 2.99Å; W45-E48 PolarHBondContact O-N 2.94Å
46A81.3Confident84.1Confident60 Ų6059.5 Ų59.550%0.49631%0.312SS..Hα-helixtrans-66.5-43.4178.900000112.3F43 G44 E48 F49F43-A46 PolarHBondContact O-N 3.45Å; G44-A46 PolarHBondContact O-N 3.19Å; A46-E48 PolarHBondContact O-N 3.07Å; A46-F49 WeakPolarHBondContact O-CB 3.36Å; A46-F49 PolarHBondContact O-N 3.03Å
47R83.2Confident83.9Confident109 Ų10961.6 Ų61.641%0.41133%0.328SS..Hα-helixtrans-61.6-30.4177.6-176.3-173.6-177.7-170.410.6112.5F43 G44 F49 I50 V80F43-R47 PolarHBondContact O-N 2.81Å; G44-R47 PolarHBondContact O-N 3.35Å; R47-F49 VanDerWaalsContact C-N 3.27Å; R47-F49 PolarHBondContact O-N 2.95Å; R47-I50 PolarHBondContact O-N 3.48Å; R47-V80 VanDerWaalsContact NH1-CG1 3.28Å
48E84.3Confident83.8Confident4 Ų464.2 Ų64.22%0.01934%0.339CS..Hα-helixtrans-67.7-27.4-176.3-67.4-136.2100.300113.9H21 H22 H30 W34 G44 W45 A46 I50 R51 I52 Y55H21-E48 IonicContact CD2-OE2 3.2Å; H21-E48 IonicContact CE1-OE2 3.31Å; H21-E48 PolarHBondContact CE1-OE2 3.22Å; H21-E48 IonicContact NE2-OE1 3Å; H21-E48 IonicContact NE2-OE2 2.87Å; H21-E48 PolarHBondContact NE2-OE2 2.88Å; H22-E48 IonicContact CD2-OE2 3.74Å; H22-E48 IonicContact CE1-OE1 2.82Å; H22-E48 PolarHBondContact CE1-OE1 3.1Å; H22-E48 IonicContact CE1-OE2 2.64Å; H22-E48 IonicContact NE2-OE1 3.36Å; H22-E48 PolarHBondContact NE2-OE1 3.35Å; H22-E48 IonicContact NE2-OE2 3.79Å; H22-E48 PolarHBondContact NE2-OE2 2.99Å; H30-E48 IonicContact CE1-OE1 2.76Å; H30-E48 PolarHBondContact CE1-OE1 3.17Å; W34-E48 HydrophobicContact CZ2-CG 3.6Å; W34-E48 WeakPolarHBondContact CZ2-OE2 3.33Å; W34-E48 PolarHBondContact NE1-OE2 3.4Å; G44-E48 WeakPolarHBondContact O-CG 3.36Å; G44-E48 PolarHBondContact O-N 3.48Å; G44-E48 VanDerWaalsContact O-N 3.11Å; W45-E48 PolarHBondContact O-N 2.94Å; A46-E48 PolarHBondContact O-N 3.07Å; E48-I50 PolarHBondContact O-N 3.22Å; E48-I50 VanDerWaalsContact O-N 3.15Å; E48-R51 PolarHBondContact O-N 2.86Å; E48-I52 WeakPolarHBondContact O-CG1 3.43Å; E48-I52 PolarHBondContact O-N 2.92Å; E48-Y55 VanDerWaalsContact OE1-CE2 3.27Å; E48-Y55 WeakPolarHBondContact OE1-CE2 3.3Å
49F85.2Confident83.7Confident108 Ų10858.6 Ų58.647%0.47431%0.312SS..Hα-helixtrans-50.1-43.4176.7-177.7-99.3000111.4Y9 W12 A46 R47 R51Y9-F49 HydrophobicContact CD1-CD2 4.19Å; Y9-F49 HydrophobicContact CD1-CE2 4.18Å; Y9-F49 AromaticContact CE1-CD2 3.6Å; Y9-F49 HydrophobicContact CE1-CD2 3.6Å; Y9-F49 AromaticContact CE1-CE2 3.67Å; Y9-F49 HydrophobicContact CE1-CE2 3.67Å; Y9-F49 HydrophobicContact CE1-CG 4.34Å; Y9-F49 HydrophobicContact CE1-CZ 4.45Å; Y9-F49 PolarHBondContact OH-O 3.3Å; W12-F49 HydrophobicContact CH2-CB 4.44Å; W12-F49 AromaticContact CH2-CD2 3.86Å; W12-F49 HydrophobicContact CH2-CD2 3.86Å; W12-F49 HydrophobicContact CZ2-CB 4.1Å; W12-F49 HydrophobicContact CZ2-CD2 4.29Å; W12-F49 AromaticContact CZ3-CD2 4Å; W12-F49 HydrophobicContact CZ3-CD2 4Å; A46-F49 WeakPolarHBondContact O-CB 3.36Å; A46-F49 PolarHBondContact O-N 3.03Å; R47-F49 VanDerWaalsContact C-N 3.27Å; R47-F49 PolarHBondContact O-N 2.95Å; F49-R51 VanDerWaalsContact C-N 3.35Å; F49-R51 PolarHBondContact O-N 3.11Å
50I88.8Confident84Confident139 Ų13959.9 Ų59.971%0.71332%0.319SS*.Hα-helixtrans-73.5-26.9179.6-55.3171.8000112R47 E48R47-I50 PolarHBondContact O-N 3.48Å; E48-I50 PolarHBondContact O-N 3.22Å; E48-I50 VanDerWaalsContact O-N 3.15Å
51R87.7Confident84Confident104 Ų10466.8 Ų66.839%0.39234%0.339SS..Hα-helixtrans-94.5-17.5-171.5-69.1-168.4164.2-160.1-12114.9E48 F49 P53 A54 Y55E48-R51 PolarHBondContact O-N 2.86Å; F49-R51 VanDerWaalsContact C-N 3.35Å; F49-R51 PolarHBondContact O-N 3.11Å; R51-P53 VanDerWaalsContact C-CD 3.47Å; R51-A54 WeakPolarHBondContact O-CB 3.21Å; R51-A54 PolarHBondContact O-N 2.73Å; R51-A54 VanDerWaalsContact O-N 3.09Å; R51-Y55 HydrophobicContact CB-CD2 4.22Å; R51-Y55 HydrophobicContact CB-CE1 4.15Å; R51-Y55 HydrophobicContact CB-CE2 3.55Å; R51-Y55 VanDerWaalsContact CD-OH 3.25Å; R51-Y55 WeakPolarHBondContact CD-OH 3.14Å; R51-Y55 WeakPolarHBondContact O-CD2 3.4Å; R51-Y55 PolarHBondContact O-N 2.7Å; R51-Y55 VanDerWaalsContact O-N 3.07Å
52I88.8Confident83.6Confident0 Ų064.8 Ų64.80%033%0.333CS..Hα-helixtrans-50.7-45.7179.9-75.8162.9000113.1V5 A8 Y9 W12 E48 A54 Y55 V56V5-I52 HydrophobicContact CG1-CG2 4.44Å; A8-I52 HydrophobicContact CB-CG2 3.75Å; Y9-I52 HydrophobicContact CD1-CD1 3.56Å; Y9-I52 HydrophobicContact CD1-CG2 4.35Å; Y9-I52 HydrophobicContact CD2-CG2 4.16Å; Y9-I52 HydrophobicContact CE1-CB 4.05Å; Y9-I52 HydrophobicContact CE1-CD1 3.57Å; Y9-I52 HydrophobicContact CE1-CG1 4.4Å; Y9-I52 HydrophobicContact CE1-CG2 4.19Å; Y9-I52 HydrophobicContact CE2-CG2 4.01Å; Y9-I52 HydrophobicContact CG-CD1 4.38Å; Y9-I52 HydrophobicContact CG-CG2 4.33Å; W12-I52 HydrophobicContact CB-CD1 3.75Å; W12-I52 HydrophobicContact CD2-CD1 4.22Å; W12-I52 HydrophobicContact CG-CD1 3.66Å; E48-I52 WeakPolarHBondContact O-CG1 3.43Å; E48-I52 PolarHBondContact O-N 2.92Å; I52-A54 VanDerWaalsContact C-N 3.32Å; I52-A54 PolarHBondContact O-N 2.94Å; I52-Y55 PolarHBondContact O-N 2.82Å; I52-Y55 VanDerWaalsContact O-N 3.13Å; I52-V56 HydrophobicContact CG2-CG2 4.33Å; I52-V56 WeakPolarHBondContact O-CG2 3.3Å; I52-V56 PolarHBondContact O-N 2.64Å
53P88.7Confident83.3Confident58 Ų5866 Ų6638%0.37733%0.332SS..Hα-helixtrans-60.1-41.1179.1-24.735000113R51 Y55 V56 S57R51-P53 VanDerWaalsContact C-CD 3.47Å; P53-Y55 VanDerWaalsContact C-N 3.34Å; P53-Y55 PolarHBondContact O-N 2.87Å; P53-V56 PolarHBondContact O-N 3.2Å; P53-S57 PolarHBondContact O-N 3.06Å
54A87.5Confident82.8Confident62 Ų6264.4 Ų64.451%0.51233%0.327SS..Hα-helixtrans-65.1-38.4176.900000111.5R51 I52 S57 E58R51-A54 WeakPolarHBondContact O-CB 3.21Å; R51-A54 PolarHBondContact O-N 2.73Å; R51-A54 VanDerWaalsContact O-N 3.09Å; I52-A54 VanDerWaalsContact C-N 3.32Å; I52-A54 PolarHBondContact O-N 2.94Å; A54-S57 PolarHBondContact O-N 2.86Å; A54-E58 WeakPolarHBondContact O-CB 3.41Å; A54-E58 PolarHBondContact O-N 3.44Å
55Y88.8Confident81.7Confident20 Ų2068.1 Ų68.18%0.07834%0.339CS..Hα-helixtrans-68.6-35.7177.8-57.8-31.7000113.2H22 E48 R51 I52 P53 E58 A59H22-Y55 AromaticContact CE1-CE2 3.93Å; E48-Y55 VanDerWaalsContact OE1-CE2 3.27Å; E48-Y55 WeakPolarHBondContact OE1-CE2 3.3Å; R51-Y55 HydrophobicContact CB-CD2 4.22Å; R51-Y55 HydrophobicContact CB-CE1 4.15Å; R51-Y55 HydrophobicContact CB-CE2 3.55Å; R51-Y55 VanDerWaalsContact CD-OH 3.25Å; R51-Y55 WeakPolarHBondContact CD-OH 3.14Å; R51-Y55 WeakPolarHBondContact O-CD2 3.4Å; R51-Y55 PolarHBondContact O-N 2.7Å; R51-Y55 VanDerWaalsContact O-N 3.07Å; I52-Y55 PolarHBondContact O-N 2.82Å; I52-Y55 VanDerWaalsContact O-N 3.13Å; P53-Y55 VanDerWaalsContact C-N 3.34Å; P53-Y55 PolarHBondContact O-N 2.87Å; Y55-E58 PolarHBondContact O-N 3.14Å; Y55-A59 WeakPolarHBondContact O-CB 3.31Å; Y55-A59 PolarHBondContact O-N 3.2Å
56V88.6Confident80.5Confident4 Ų470.8 Ų70.82%0.02436%0.355CS..Hα-helixtrans-68.1-44.9175.2175.50000110.4K3 V5 A8 L25 I52 P53 E58 A59 N60K3-V56 HydrophobicContact CB-CG1 4.22Å; K3-V56 WeakPolarHBondContact O-CG1 3.43Å; V5-V56 HydrophobicContact CB-CG2 4.47Å; V5-V56 HydrophobicContact CG2-CB 3.93Å; V5-V56 HydrophobicContact CG2-CG1 3.69Å; V5-V56 HydrophobicContact CG2-CG2 4.04Å; A8-V56 HydrophobicContact CB-CG2 3.96Å; L25-V56 HydrophobicContact CD2-CB 4.37Å; L25-V56 HydrophobicContact CD2-CG2 3.8Å; I52-V56 HydrophobicContact CG2-CG2 4.33Å; I52-V56 WeakPolarHBondContact O-CG2 3.3Å; I52-V56 PolarHBondContact O-N 2.64Å; P53-V56 PolarHBondContact O-N 3.2Å; V56-E58 VanDerWaalsContact C-N 3.29Å; V56-E58 PolarHBondContact O-N 3.38Å; V56-A59 PolarHBondContact O-N 3.14Å; V56-N60 WeakPolarHBondContact O-CB 3.04Å; V56-N60 VanDerWaalsContact O-CG 3.31Å; V56-N60 PolarHBondContact O-N 3.22Å; V56-N60 PolarHBondContact O-ND2 3.18Å
57S85.7Confident79.2Confident55 Ų5578.8 Ų78.839%0.38537%0.373SS..Hα-helixtrans-58-43.3174.5-176.90000111.5P53 A54 N60 R61P53-S57 PolarHBondContact O-N 3.06Å; A54-S57 PolarHBondContact O-N 2.86Å; S57-N60 PolarHBondContact O-N 3.06Å; S57-R61 WeakPolarHBondContact O-CB 3.25Å; S57-R61 VanDerWaalsContact O-CG 3.3Å; S57-R61 WeakPolarHBondContact O-CG 3.4Å; S57-R61 PolarHBondContact O-N 3.31Å
58E84.7Confident77.8Confident59 Ų5983.8 Ų83.828%0.27639%0.392SS..Hα-helixtrans-63.7-45176.3-175.7169.4-138.100112.5R27 A54 Y55 V56 N60 R61 D62 Q127R27-E58 IonicContact CZ-OE2 3.8Å; R27-E58 IonicContact NH1-OE2 3.74Å; R27-E58 PolarHBondContact NH1-OE2 3.41Å; A54-E58 WeakPolarHBondContact O-CB 3.41Å; A54-E58 PolarHBondContact O-N 3.44Å; Y55-E58 PolarHBondContact O-N 3.14Å; V56-E58 VanDerWaalsContact C-N 3.29Å; V56-E58 PolarHBondContact O-N 3.38Å; E58-N60 VanDerWaalsContact C-N 3.32Å; E58-N60 PolarHBondContact O-N 2.94Å; E58-R61 PolarHBondContact O-N 2.93Å; E58-D62 PolarHBondContact O-N 3.44Å; E58-Q127 WeakPolarHBondContact OE1-CG 3.43Å
59A84.6Confident76.5Confident11 Ų1188.1 Ų88.19%0.09142%0.421CS..Hα-helixtrans-65-34.6178.500000113K3 L25 Y55 V56 T63K3-A59 HydrophobicContact CG-CB 4.11Å; L25-A59 HydrophobicContact CB-CB 4.48Å; L25-A59 HydrophobicContact CD2-CB 3.98Å; Y55-A59 WeakPolarHBondContact O-CB 3.31Å; Y55-A59 PolarHBondContact O-N 3.2Å; V56-A59 PolarHBondContact O-N 3.14Å; A59-T63 PolarHBondContact O-N 3.48Å; A59-T63 PolarHBondContact O-OG1 3.34Å
60N85.5Confident75.5Confident27 Ų2786.8 Ų86.814%0.14442%0.422CS..Hα-helixtrans-71.5-44.3175.5-70.1-16.5000111.2K3 V56 S57 E58 D62 T63 E64K3-N60 WeakPolarHBondContact CA-OD1 3.39Å; K3-N60 VanDerWaalsContact CB-OD1 3.32Å; K3-N60 WeakPolarHBondContact CB-OD1 3.48Å; K3-N60 PolarHBondContact N-OD1 3.31Å; K3-N60 PolarHBondContact O-ND2 2.93Å; K3-N60 VanDerWaalsContact O-ND2 3.11Å; V56-N60 WeakPolarHBondContact O-CB 3.04Å; V56-N60 VanDerWaalsContact O-CG 3.31Å; V56-N60 PolarHBondContact O-N 3.22Å; V56-N60 PolarHBondContact O-ND2 3.18Å; S57-N60 PolarHBondContact O-N 3.06Å; E58-N60 VanDerWaalsContact C-N 3.32Å; E58-N60 PolarHBondContact O-N 2.94Å; N60-D62 VanDerWaalsContact C-N 3.29Å; N60-D62 PolarHBondContact O-N 2.86Å; N60-T63 WeakPolarHBondContact O-CA 2.97Å; N60-T63 VanDerWaalsContact O-CB 3.31Å; N60-T63 WeakPolarHBondContact O-CB 3.04Å; N60-T63 PolarHBondContact O-N 3.37Å; N60-E64 PolarHBondContact O-N 3.14Å; N60-E64 VanDerWaalsContact O-N 3.09Å
61R78.3Confident74.5Confident162 Ų16287.4 Ų87.461%0.61142%0.42SS*.Hα-helixtrans-58.3-39.5173.5-77.2174.1164.9-178.3-4.1112.5S57 E58 T63 E64 K65S57-R61 WeakPolarHBondContact O-CB 3.25Å; S57-R61 VanDerWaalsContact O-CG 3.3Å; S57-R61 WeakPolarHBondContact O-CG 3.4Å; S57-R61 PolarHBondContact O-N 3.31Å; E58-R61 PolarHBondContact O-N 2.93Å; R61-T63 PolarHBondContact O-N 3.49Å; R61-E64 CarbonylContact O-C 3.5Å; R61-E64 PolarHBondContact O-N 3.41Å; R61-E64 VanDerWaalsContact O-N 3.1Å; R61-K65 WeakPolarHBondContact O-CB 3.36Å; R61-K65 WeakPolarHBondContact O-CG 3.31Å; R61-K65 PolarHBondContact O-N 2.93Å
62D72Confident73.4Confident55 Ų5591 Ų9129%0.29444%0.441SS..Hα-helixtrans-66.1-26176.2-77.2-6.5000113.1E58 N60 K65 Q127E58-D62 PolarHBondContact O-N 3.44Å; N60-D62 VanDerWaalsContact C-N 3.29Å; N60-D62 PolarHBondContact O-N 2.86Å; D62-K65 WeakPolarHBondContact OD1-CD 3.04Å; D62-K65 WeakPolarHBondContact OD1-CE 3.35Å; D62-K65 IonicContact OD1-NZ 3.37Å; D62-K65 PolarHBondContact OD1-NZ 3.45Å; D62-Q127 PolarHBondContact OD2-NE2 3.41Å
63T70.1Confident72.8Confident67 Ų6793.8 Ų93.841%0.41147%0.471SS..Hα-helixtrans-75.9-31172.5-52.80000111.1A59 N60 R61A59-T63 PolarHBondContact O-N 3.48Å; A59-T63 PolarHBondContact O-OG1 3.34Å; N60-T63 WeakPolarHBondContact O-CA 2.97Å; N60-T63 VanDerWaalsContact O-CB 3.31Å; N60-T63 WeakPolarHBondContact O-CB 3.04Å; N60-T63 PolarHBondContact O-N 3.37Å; R61-T63 PolarHBondContact O-N 3.49Å
64E65.6Low72.5Confident132 Ų13296.2 Ų96.262%0.61748%0.48SS*.Hα-helixtrans-87.6-13.2178.3-66.7170.2-175.100113.4N60 R61 E66 R67N60-E64 PolarHBondContact O-N 3.14Å; N60-E64 VanDerWaalsContact O-N 3.09Å; R61-E64 CarbonylContact O-C 3.5Å; R61-E64 PolarHBondContact O-N 3.41Å; R61-E64 VanDerWaalsContact O-N 3.1Å; E64-E66 PolarHBondContact O-N 3.42Å; E64-R67 PolarHBondContact O-N 3.34Å
65K57.6Low72.5Confident93 Ų9393.3 Ų93.340%0.40446%0.456SS..G310 helixtrans-66.610.3-174.7-102-175-166.4163.10115.8R61 D62 R67R61-K65 WeakPolarHBondContact O-CB 3.36Å; R61-K65 WeakPolarHBondContact O-CG 3.31Å; R61-K65 PolarHBondContact O-N 2.93Å; D62-K65 WeakPolarHBondContact OD1-CD 3.04Å; D62-K65 WeakPolarHBondContact OD1-CE 3.35Å; D62-K65 IonicContact OD1-NZ 3.37Å; D62-K65 PolarHBondContact OD1-NZ 3.45Å; K65-R67 PolarHBondContact O-N 2.94Å
66E54.5Low72.4Confident157 Ų15796.6 Ų96.673%0.73448%0.479SS*.G310 helixtrans-58.5-10.8159.5-66.1-167.7166.800112.3E64E64-E66 PolarHBondContact O-N 3.42Å
67R52.2Low72.3Confident229 Ų22999.6 Ų99.686%0.86451%0.505SS*.G310 helixtrans-109.9-8.1-174.6-100.8178.2177.4-172.2-1.6118.8E64 K65E64-R67 PolarHBondContact O-N 3.34Å; K65-R67 PolarHBondContact O-N 2.94Å
68W54.2Low72.5Confident213 Ų21399.5 Ų99.581%0.80750%0.504SS*.SBendtrans-119.3139.2-173.3-122.4-76.2000113.5
69P58.6Low72.9Confident96 Ų96101.8 Ų101.862%0.62352%0.524SS*.  trans-57.4150.5175.619.8-33.8000112.8
70P64.1Low73.1Confident79 Ų79104.8 Ų104.851%0.51354%0.541SS..  trans-51.6141.7172.9-22.732.4000111E72 P173P70-E72 PolarHBondContact O-N 3.49Å; P70-P173 HydrophobicContact CB-CG 4.45Å; P70-P173 HydrophobicContact CG-CG 4.27Å
71K66.6Low73.4Confident153 Ų153105.7 Ų105.767%0.66554%0.542SS*.  trans-69.2104.4169.1-73.8-172.2176.5-173.80108.3F170K71-F170 HydrophobicContact CB-CD2 4.07Å; K71-F170 HydrophobicContact CB-CE2 4.12Å; K71-F170 HydrophobicContact CB-CG 4.34Å; K71-F170 HydrophobicContact CB-CZ 4.42Å; K71-F170 HydrophobicContact CD-CE1 4.29Å; K71-F170 HydrophobicContact CD-CZ 4.33Å; K71-F170 WeakPolarHBondContact O-CD2 3.49Å
72E64.5Low74.2Confident178 Ų178101.4 Ų101.483%0.83253%0.528SS*.  trans-82.4143.2174.5-69.2177.4-18000110.6P70P70-E72 PolarHBondContact O-N 3.49Å
73G77.3Confident75.2Confident60 Ų60101.1 Ų101.162%0.61953%0.533SS*.SBendtrans107.8179.7176.500000116F170G73-F170 WeakPolarHBondContact O-CD2 3.23Å
74L82.2Confident76.3Confident109 Ų10999 Ų9957%0.57153%0.525SS*.PPolyproline II helixtrans-79.8127-176.4-163.573.3000110.1R168L74-R168 HydrophobicContact CD1-CG 3.73Å; L74-R168 WeakPolarHBondContact CD1-O 3.44Å; L74-R168 HydrophobicContact CG-CG 3.99Å
75P86.3Confident77.8Confident1 Ų193 Ų931%0.00650%0.497CS..PPolyproline II helixtrans-60.7153.9176.119.5-28000111.7A77 Q128 R168 F170P75-A77 PolarHBondContact O-N 3.23Å; P75-Q128 VanDerWaalsContact CB-CD 3.43Å; P75-Q128 HydrophobicContact CB-CG 3.69Å; P75-Q128 HydrophobicContact CG-CG 4.21Å; P75-R168 HydrophobicContact CG-CB 3.89Å; P75-R168 HydrophobicContact CG-CG 3.76Å; P75-R168 PolarHBondContact O-NE 3.11Å; P75-F170 HydrophobicContact CB-CD1 4.41Å; P75-F170 HydrophobicContact CB-CE1 3.9Å; P75-F170 HydrophobicContact CB-CE2 4.03Å; P75-F170 HydrophobicContact CB-CZ 3.69Å
76P87.8Confident79.6Confident88 Ų8889.7 Ų89.757%0.57148%0.484SS*.PPolyproline II helixtrans-63.2139.3179.225.8-34.2000110.9
77A86.4Confident81.5Confident68 Ų6885.5 Ų85.556%0.56247%0.472SS*.PPolyproline II helixtrans-64.5136.5171.300000109.4P75P75-A77 PolarHBondContact O-N 3.23Å
78S90.1Very high83.5Confident52 Ų5274.9 Ų74.936%0.36443%0.432SS..  trans-126.5110.1176.8179.90000108.8V80 R81 F82S78-V80 PolarHBondContact O-N 3.4Å; S78-R81 WeakPolarHBondContact O-CB 3.24Å; S78-R81 PolarHBondContact O-N 3.47Å; S78-R81 PolarHBondContact OG-N 3.34Å; S78-F82 PolarHBondContact O-N 3.46Å
79P91.6Very high85.6Confident107 Ų10764.8 Ų64.870%0.69539%0.394SS*.Hα-helixtrans-55.2-35.8175.8-26.834.9000112R81 F82 A83P79-R81 VanDerWaalsContact C-N 3.34Å; P79-R81 PolarHBondContact O-N 2.92Å; P79-F82 PolarHBondContact O-N 3.37Å; P79-A83 WeakPolarHBondContact O-CB 3.47Å; P79-A83 PolarHBondContact O-N 2.91Å
80V90.3Very high87.3Confident74 Ų7462 Ų6245%0.44837%0.374SS..Hα-helixtrans-66.7-35.9177.6-174.90000112.2R47 S78 G84R47-V80 VanDerWaalsContact NH1-CG1 3.28Å; S78-V80 PolarHBondContact O-N 3.4Å; V80-G84 PolarHBondContact O-N 3.32Å
81R92.1Very high88.6Confident46 Ų4661.2 Ų61.217%0.17436%0.361CS..Hα-helixtrans-70.3-42.4175.1-168.1-172.6-167.198.9-2.8110.8S78 P79 G84 Q85 V122 S123 V125 Q128S78-R81 WeakPolarHBondContact O-CB 3.24Å; S78-R81 PolarHBondContact O-N 3.47Å; S78-R81 PolarHBondContact OG-N 3.34Å; P79-R81 VanDerWaalsContact C-N 3.34Å; P79-R81 PolarHBondContact O-N 2.92Å; R81-G84 PolarHBondContact O-N 3.33Å; R81-Q85 VanDerWaalsContact O-CG 3.31Å; R81-Q85 WeakPolarHBondContact O-CG 3.47Å; R81-Q85 PolarHBondContact O-N 3.08Å; R81-V122 HydrophobicContact CG-CG1 4.24Å; R81-V122 PolarHBondContact NH2-O 3.35Å; R81-S123 PolarHBondContact NH2-O 2.94Å; R81-V125 PolarHBondContact NH1-O 3.33Å; R81-V125 PolarHBondContact NH2-O 3.45Å; R81-Q128 PolarHBondContact NH2-O 3.01Å
82F95Very high90Very high72 Ų7254.8 Ų54.832%0.31633%0.333SS..Hα-helixtrans-60.1-50.2175.9179.3-94.2000111.4S78 P79 G84 Q85 V86 L158 I162 A165S78-F82 PolarHBondContact O-N 3.46Å; P79-F82 PolarHBondContact O-N 3.37Å; F82-G84 VanDerWaalsContact C-N 3.3Å; F82-G84 PolarHBondContact O-N 3.34Å; F82-Q85 WeakPolarHBondContact O-CB 3.49Å; F82-Q85 PolarHBondContact O-N 2.79Å; F82-Q85 VanDerWaalsContact O-N 3.11Å; F82-V86 HydrophobicContact CD1-CG2 4.4Å; F82-V86 HydrophobicContact CE1-CG2 3.98Å; F82-V86 HydrophobicContact CZ-CG2 4.09Å; F82-V86 WeakPolarHBondContact O-CG2 3.31Å; F82-V86 PolarHBondContact O-N 2.89Å; F82-L158 HydrophobicContact CZ-CD1 4.01Å; F82-I162 HydrophobicContact CE2-CG1 4.03Å; F82-I162 HydrophobicContact CZ-CG1 4.19Å; F82-A165 HydrophobicContact CD2-CB 4.26Å
83A92.5Very high91.5Very high49 Ų4946.3 Ų46.341%0.40529%0.293SS..Hα-helixtrans-57.3-44.9174.500000111.3P79 Q85 V86 C87P79-A83 WeakPolarHBondContact O-CB 3.47Å; P79-A83 PolarHBondContact O-N 2.91Å; A83-Q85 PolarHBondContact O-N 3.26Å; A83-V86 PolarHBondContact O-N 2.92Å; A83-C87 WeakPolarHBondContact O-CB 3.31Å; A83-C87 PolarHBondContact O-N 3.47Å; A83-C87 PolarHBondContact O-SG 2.76Å
84G93.3Very high92Very high22 Ų2245.3 Ų45.323%0.22727%0.273CS..Hα-helixtrans-59.3-41.9174.600000113.5V80 R81 F82 C87 V88V80-G84 PolarHBondContact O-N 3.32Å; R81-G84 PolarHBondContact O-N 3.33Å; F82-G84 VanDerWaalsContact C-N 3.3Å; F82-G84 PolarHBondContact O-N 3.34Å; G84-C87 PolarHBondContact O-N 3.38Å; G84-V88 VanDerWaalsContact O-CB 3.3Å; G84-V88 WeakPolarHBondContact O-CB 3.44Å; G84-V88 WeakPolarHBondContact O-CG2 3.49Å; G84-V88 PolarHBondContact O-N 2.97Å
85Q97.3Very high92.4Very high7 Ų740.8 Ų40.83%0.03325%0.25CC..Hα-helixtrans-61-47.1176.7-75.4165.5-3800110.8R81 F82 A83 G89 V119 V122 S123 S161R81-Q85 VanDerWaalsContact O-CG 3.31Å; R81-Q85 WeakPolarHBondContact O-CG 3.47Å; R81-Q85 PolarHBondContact O-N 3.08Å; F82-Q85 WeakPolarHBondContact O-CB 3.49Å; F82-Q85 PolarHBondContact O-N 2.79Å; F82-Q85 VanDerWaalsContact O-N 3.11Å; A83-Q85 PolarHBondContact O-N 3.26Å; Q85-G89 PolarHBondContact O-N 3.27Å; Q85-V119 HydrophobicContact CB-CG1 4.2Å; Q85-V119 HydrophobicContact CG-CG1 4.34Å; Q85-V122 HydrophobicContact CG-CB 3.82Å; Q85-V122 HydrophobicContact CG-CG1 3.74Å; Q85-S123 PolarHBondContact NE2-OG 3.02Å; Q85-S161 WeakPolarHBondContact CB-OG 3.36Å
86V95.9Very high92.7Very high24 Ų2440.9 Ų40.915%0.14525%0.25CS..Hα-helixtrans-62.6-50.51781770000110.9F82 A83 V88 G89 I90 S157 L158 S161F82-V86 HydrophobicContact CD1-CG2 4.4Å; F82-V86 HydrophobicContact CE1-CG2 3.98Å; F82-V86 HydrophobicContact CZ-CG2 4.09Å; F82-V86 WeakPolarHBondContact O-CG2 3.31Å; F82-V86 PolarHBondContact O-N 2.89Å; A83-V86 PolarHBondContact O-N 2.92Å; V86-V88 PolarHBondContact O-N 3.4Å; V86-G89 PolarHBondContact O-N 2.97Å; V86-I90 HydrophobicContact CG1-CD1 3.83Å; V86-I90 VanDerWaalsContact O-CG1 3.28Å; V86-I90 WeakPolarHBondContact O-CG1 3.34Å; V86-I90 PolarHBondContact O-N 3.29Å; V86-S157 WeakPolarHBondContact CA-OG 3.35Å; V86-S157 PolarHBondContact O-OG 3.05Å; V86-L158 HydrophobicContact CG2-CD1 4.24Å; V86-S161 WeakPolarHBondContact CG2-OG 3.33Å; V86-S161 PolarHBondContact N-OG 3.24Å
87C93.1Very high92.7Very high69 Ų6936.9 Ų36.947%0.46622%0.224SC..Hα-helixtrans-62.6-44.3-178.4-66.20000112.5A83 G84 Y91A83-C87 WeakPolarHBondContact O-CB 3.31Å; A83-C87 PolarHBondContact O-N 3.47Å; A83-C87 PolarHBondContact O-SG 2.76Å; G84-C87 PolarHBondContact O-N 3.38Å; C87-Y91 WeakPolarHBondContact O-CB 3.31Å; C87-Y91 PolarHBondContact O-N 3.45Å
88V95.5Very high92.6Very high6 Ų634.9 Ų34.94%0.03620%0.204CC..Hα-helixtrans-74.2-34.6-178177.10000111.5L33 T37 F41 G84 V86 Y91 F92 V122L33-V88 HydrophobicContact CD1-CG1 3.9Å; L33-V88 HydrophobicContact CD1-CG2 3.91Å; T37-V88 HydrophobicContact CG2-CG2 4.42Å; F41-V88 HydrophobicContact CE2-CG2 4.08Å; F41-V88 HydrophobicContact CZ-CG2 4.41Å; G84-V88 VanDerWaalsContact O-CB 3.3Å; G84-V88 WeakPolarHBondContact O-CB 3.44Å; G84-V88 WeakPolarHBondContact O-CG2 3.49Å; G84-V88 PolarHBondContact O-N 2.97Å; V86-V88 PolarHBondContact O-N 3.4Å; V88-Y91 PolarHBondContact O-N 3.01Å; V88-F92 HydrophobicContact CG1-CD2 3.82Å; V88-F92 HydrophobicContact CG1-CE2 3.72Å; V88-F92 VanDerWaalsContact O-CD2 3.27Å; V88-F92 WeakPolarHBondContact O-CD2 3.34Å; V88-F92 PolarHBondContact O-N 2.9Å; V88-V122 HydrophobicContact CB-CG2 3.55Å; V88-V122 HydrophobicContact CG1-CG2 3.83Å; V88-V122 HydrophobicContact CG2-CG2 3.58Å
89G97.1Very high92.4Very high0 Ų033 Ų330%019%0.192CC..Hα-helixtrans-63.6-45.6173.300000112.2Q85 V86 F92 G93 S157Q85-G89 PolarHBondContact O-N 3.27Å; V86-G89 PolarHBondContact O-N 2.97Å; G89-F92 PolarHBondContact O-N 2.87Å; G89-G93 PolarHBondContact O-N 3.36Å; G89-S157 VanDerWaalsContact CA-OG 3.3Å; G89-S157 WeakPolarHBondContact CA-OG 3.32Å
90I93.8Very high92.3Very high39 Ų3930 Ų3020%0.217%0.171CC..Hα-helixtrans-56.8-51.9171.5-68.3166.2000109.9V86 F92 G93 M94 L154 S157V86-I90 HydrophobicContact CG1-CD1 3.83Å; V86-I90 VanDerWaalsContact O-CG1 3.28Å; V86-I90 WeakPolarHBondContact O-CG1 3.34Å; V86-I90 PolarHBondContact O-N 3.29Å; I90-F92 VanDerWaalsContact C-N 3.33Å; I90-F92 PolarHBondContact O-N 2.97Å; I90-G93 WeakPolarHBondContact O-CA 3.48Å; I90-G93 PolarHBondContact O-N 3.34Å; I90-M94 HydrophobicContact CG2-CG 4.1Å; I90-M94 WeakPolarHBondContact O-CG 3.37Å; I90-M94 PolarHBondContact O-N 2.81Å; I90-L154 HydrophobicContact CD1-CB 4.35Å; I90-L154 HydrophobicContact CD1-CD1 4Å; I90-L154 HydrophobicContact CD1-CG 4.26Å; I90-L154 HydrophobicContact CG1-CB 4.44Å; I90-S157 PolarHBondContact N-OG 2.98Å
91Y93Very high92.2Very high62 Ų6228.3 Ų28.324%0.24316%0.159CC..Hα-helixtrans-53.8-46.5179.7169.4-116.8000112.8L36 T37 F41 C87 V88 G93 M94 V95 F196L36-Y91 VanDerWaalsContact O-CE1 3.24Å; L36-Y91 WeakPolarHBondContact O-CE1 3.46Å; L36-Y91 PolarHBondContact O-OH 3.45Å; T37-Y91 HydrophobicContact CG2-CD1 4.14Å; T37-Y91 HydrophobicContact CG2-CE1 4.03Å; F41-Y91 HydrophobicContact CE1-CD1 4.24Å; F41-Y91 HydrophobicContact CE1-CD2 4.1Å; F41-Y91 AromaticContact CE1-CG 3.96Å; F41-Y91 HydrophobicContact CE1-CG 3.96Å; F41-Y91 HydrophobicContact CZ-CD1 4.12Å; F41-Y91 AromaticContact CZ-CG 3.96Å; F41-Y91 HydrophobicContact CZ-CG 3.96Å; C87-Y91 WeakPolarHBondContact O-CB 3.31Å; C87-Y91 PolarHBondContact O-N 3.45Å; V88-Y91 PolarHBondContact O-N 3.01Å; Y91-G93 VanDerWaalsContact C-N 3.35Å; Y91-G93 PolarHBondContact O-N 2.87Å; Y91-M94 PolarHBondContact O-N 3.34Å; Y91-V95 HydrophobicContact CD2-CG2 4.22Å; Y91-V95 HydrophobicContact CE2-CG2 3.77Å; Y91-V95 WeakPolarHBondContact O-CG2 3.34Å; Y91-V95 PolarHBondContact O-N 2.93Å; Y91-F196 HydrophobicContact CD1-CZ 4.39Å; Y91-F196 HydrophobicContact CE1-CE1 4.25Å; Y91-F196 HydrophobicContact CE1-CE2 4.49Å; Y91-F196 AromaticContact CE1-CZ 3.58Å; Y91-F196 HydrophobicContact CE1-CZ 3.58Å; Y91-F196 AromaticContact CZ-CZ 3.83Å
92F95.8Very high91.9Very high17 Ų1731.7 Ų31.78%0.07519%0.189CC..Hα-helixtrans-64.8-38.7177-87.3-129.2000112.2L36 V88 G89 I90 V95 A96 S114 A117 L121 F196L36-F92 HydrophobicContact CD1-CE1 4.34Å; L36-F92 HydrophobicContact CD1-CE2 4.4Å; L36-F92 HydrophobicContact CD1-CZ 3.58Å; V88-F92 HydrophobicContact CG1-CD2 3.82Å; V88-F92 HydrophobicContact CG1-CE2 3.72Å; V88-F92 VanDerWaalsContact O-CD2 3.27Å; V88-F92 WeakPolarHBondContact O-CD2 3.34Å; V88-F92 PolarHBondContact O-N 2.9Å; G89-F92 PolarHBondContact O-N 2.87Å; I90-F92 VanDerWaalsContact C-N 3.33Å; I90-F92 PolarHBondContact O-N 2.97Å; F92-V95 PolarHBondContact O-N 2.78Å; F92-A96 WeakPolarHBondContact O-CB 3.46Å; F92-A96 PolarHBondContact O-N 3.29Å; F92-S114 VanDerWaalsContact CB-O 3.29Å; F92-S114 WeakPolarHBondContact CB-O 3.31Å; F92-S114 WeakPolarHBondContact CD1-O 3.28Å; F92-A117 HydrophobicContact CD1-CB 4.34Å; F92-L121 HydrophobicContact CE2-CD2 4.45Å; F92-L121 HydrophobicContact CZ-CD2 3.78Å; F92-F196 HydrophobicContact CD1-CD2 4.03Å; F92-F196 AromaticContact CD1-CE2 3.69Å; F92-F196 HydrophobicContact CD1-CE2 3.69Å; F92-F196 AromaticContact CD2-CE2 3.63Å; F92-F196 HydrophobicContact CD2-CE2 3.63Å; F92-F196 HydrophobicContact CD2-CZ 4.19Å; F92-F196 AromaticContact CE1-CD2 3.69Å; F92-F196 HydrophobicContact CE1-CD2 3.69Å; F92-F196 AromaticContact CE1-CE2 3.64Å; F92-F196 HydrophobicContact CE1-CE2 3.64Å; F92-F196 HydrophobicContact CE2-CD2 4.29Å; F92-F196 AromaticContact CE2-CE2 3.57Å; F92-F196 HydrophobicContact CE2-CE2 3.57Å; F92-F196 HydrophobicContact CE2-CZ 4.09Å; F92-F196 HydrophobicContact CG-CD2 4.49Å; F92-F196 AromaticContact CG-CE2 3.7Å; F92-F196 HydrophobicContact CG-CE2 3.7Å; F92-F196 AromaticContact CZ-CD2 3.83Å; F92-F196 HydrophobicContact CZ-CD2 3.83Å; F92-F196 AromaticContact CZ-CE2 3.58Å; F92-F196 HydrophobicContact CZ-CE2 3.58Å; F92-F196 HydrophobicContact CZ-CZ 4.42Å
93G94.6Very high91.5Very high0 Ų032.2 Ų32.20%020%0.195CC..Hα-helixtrans-64.4-41.5174.800000112.8G89 I90 Y91 A96 L97G89-G93 PolarHBondContact O-N 3.36Å; I90-G93 WeakPolarHBondContact O-CA 3.48Å; I90-G93 PolarHBondContact O-N 3.34Å; Y91-G93 VanDerWaalsContact C-N 3.35Å; Y91-G93 PolarHBondContact O-N 2.87Å; G93-A96 WeakPolarHBondContact O-CB 3.24Å; G93-A96 PolarHBondContact O-N 3.5Å; G93-L97 PolarHBondContact O-N 2.88Å
94M89.3Confident91.4Very high39 Ų3934.7 Ų34.719%0.19221%0.209CC..Hα-helixtrans-63.9-43.6175.5-61.2-46.1-6400111.7I90 Y91 A96 L97 I98 P153 S218I90-M94 HydrophobicContact CG2-CG 4.1Å; I90-M94 WeakPolarHBondContact O-CG 3.37Å; I90-M94 PolarHBondContact O-N 2.81Å; Y91-M94 PolarHBondContact O-N 3.34Å; M94-A96 VanDerWaalsContact C-N 3.27Å; M94-A96 PolarHBondContact O-N 3.01Å; M94-L97 HydrophobicContact CE-CD1 4.25Å; M94-L97 WeakPolarHBondContact O-CB 3.41Å; M94-L97 PolarHBondContact O-N 3.49Å; M94-L97 HydrophobicContact SD-CD1 4.05Å; M94-I98 WeakPolarHBondContact O-CG1 3.4Å; M94-I98 PolarHBondContact O-N 2.94Å; M94-P153 HydrophobicContact SD-CB 4.29Å; M94-P153 HydrophobicContact SD-CG 3.74Å; M94-S218 WeakPolarHBondContact CE-OG 3.45Å
95V90Very high91.4Very high15 Ų1540.3 Ų40.39%0.09123%0.228CC..Hα-helixtrans-59.6-41174.5160.80000111.2Y91 F92 I98 G99 F196 L200Y91-V95 HydrophobicContact CD2-CG2 4.22Å; Y91-V95 HydrophobicContact CE2-CG2 3.77Å; Y91-V95 WeakPolarHBondContact O-CG2 3.34Å; Y91-V95 PolarHBondContact O-N 2.93Å; F92-V95 PolarHBondContact O-N 2.78Å; V95-I98 PolarHBondContact O-N 3.42Å; V95-G99 PolarHBondContact O-N 3.22Å; V95-F196 HydrophobicContact CB-CE2 4.37Å; V95-F196 HydrophobicContact CB-CZ 4.02Å; V95-F196 HydrophobicContact CG1-CE1 4.1Å; V95-F196 HydrophobicContact CG1-CE2 3.97Å; V95-F196 HydrophobicContact CG1-CZ 3.74Å; V95-F196 HydrophobicContact CG2-CE1 4.32Å; V95-F196 HydrophobicContact CG2-CZ 3.81Å; V95-L200 HydrophobicContact CB-CD1 4.46Å; V95-L200 HydrophobicContact CB-CD2 4.42Å; V95-L200 HydrophobicContact CG1-CD1 3.65Å; V95-L200 HydrophobicContact CG1-CD2 3.85Å; V95-L200 HydrophobicContact CG1-CG 3.74Å; V95-L200 HydrophobicContact CG2-CD1 4.03Å; V95-L200 HydrophobicContact CG2-CD2 4.35Å
96A92.5Very high91.2Very high2 Ų240.3 Ų40.32%0.01723%0.228CC..Hα-helixtrans-66.5-39175.700000112.2F92 G93 M94 I98 G99 L100 N101 F106 S114F92-A96 WeakPolarHBondContact O-CB 3.46Å; F92-A96 PolarHBondContact O-N 3.29Å; G93-A96 WeakPolarHBondContact O-CB 3.24Å; G93-A96 PolarHBondContact O-N 3.5Å; M94-A96 VanDerWaalsContact C-N 3.27Å; M94-A96 PolarHBondContact O-N 3.01Å; A96-I98 VanDerWaalsContact C-N 3.32Å; A96-I98 PolarHBondContact O-N 3.36Å; A96-G99 PolarHBondContact O-N 2.99Å; A96-L100 HydrophobicContact CB-CD1 4.36Å; A96-L100 CarbonylContact O-C 3.56Å; A96-L100 VanDerWaalsContact O-CA 3.31Å; A96-L100 WeakPolarHBondContact O-CA 3.38Å; A96-L100 VanDerWaalsContact O-CB 3.31Å; A96-L100 WeakPolarHBondContact O-CB 3.37Å; A96-L100 PolarHBondContact O-N 3.41Å; A96-N101 PolarHBondContact O-N 3.49Å; A96-F106 HydrophobicContact CB-CE2 3.94Å; A96-F106 HydrophobicContact CB-CZ 4.08Å; A96-F106 VanDerWaalsContact O-CE2 3.23Å; A96-F106 WeakPolarHBondContact O-CE2 3.32Å; A96-F106 WeakPolarHBondContact O-CZ 3.44Å; A96-S114 WeakPolarHBondContact CB-OG 3.5Å
97L88.6Confident91Very high4 Ų440.5 Ų40.52%0.02123%0.226CC..Hα-helixtrans-60.6-42.5174.5-80163.9000111.6G93 M94 N101 F106 Y107 L111 P153G93-L97 PolarHBondContact O-N 2.88Å; M94-L97 HydrophobicContact CE-CD1 4.25Å; M94-L97 WeakPolarHBondContact O-CB 3.41Å; M94-L97 PolarHBondContact O-N 3.49Å; M94-L97 HydrophobicContact SD-CD1 4.05Å; L97-N101 WeakPolarHBondContact O-CB 3.16Å; L97-F106 HydrophobicContact CB-CZ 4.45Å; L97-F106 HydrophobicContact CD2-CE1 3.47Å; L97-F106 VanDerWaalsContact CD2-CE1 3.47Å; L97-F106 HydrophobicContact CD2-CZ 3.94Å; L97-F106 HydrophobicContact CG-CE1 4.07Å; L97-F106 HydrophobicContact CG-CZ 4.04Å; L97-Y107 HydrophobicContact CD2-CE1 3.92Å; L97-Y107 WeakPolarHBondContact CD2-OH 3.38Å; L97-L111 HydrophobicContact CG-CD1 4.39Å; L97-P153 HydrophobicContact CD1-CG 3.59Å
98I84.3Confident91.1Very high26 Ų2640.1 Ų40.113%0.13322%0.219CC..Hα-helixtrans-71-43.5179.1-65.7164.6000111.3M94 V95 A96 L200 C203 T211M94-I98 WeakPolarHBondContact O-CG1 3.4Å; M94-I98 PolarHBondContact O-N 2.94Å; V95-I98 PolarHBondContact O-N 3.42Å; A96-I98 VanDerWaalsContact C-N 3.32Å; A96-I98 PolarHBondContact O-N 3.36Å; I98-L200 HydrophobicContact CG2-CD2 4.26Å; I98-C203 PolarHBondContact O-SG 3.45Å; I98-T211 HydrophobicContact CG2-CG2 3.83Å
99G85.8Confident91.1Very high12 Ų1243.9 Ų43.912%0.12424%0.238CC..Hα-helixtrans-94.2-25.5-167.800000115.7V95 A96V95-G99 PolarHBondContact O-N 3.22Å; A96-G99 PolarHBondContact O-N 2.99Å
100L89.6Confident91Very high45 Ų4545.2 Ų45.224%0.23625%0.246CC..Hα-helixtrans-1351-161.9-59.9174.8000114A96 S102 L103 F106 V110 P199A96-L100 HydrophobicContact CB-CD1 4.36Å; A96-L100 CarbonylContact O-C 3.56Å; A96-L100 VanDerWaalsContact O-CA 3.31Å; A96-L100 WeakPolarHBondContact O-CA 3.38Å; A96-L100 VanDerWaalsContact O-CB 3.31Å; A96-L100 WeakPolarHBondContact O-CB 3.37Å; A96-L100 PolarHBondContact O-N 3.41Å; L100-S102 PolarHBondContact O-N 3.08Å; L100-L103 HydrophobicContact CB-CD1 4.13Å; L100-L103 HydrophobicContact CD2-CD1 4.04Å; L100-L103 WeakPolarHBondContact O-CB 3.48Å; L100-L103 WeakPolarHBondContact O-CG 3.43Å; L100-L103 PolarHBondContact O-N 3.24Å; L100-F106 HydrophobicContact CB-CD2 4.2Å; L100-F106 HydrophobicContact CB-CE2 3.93Å; L100-F106 WeakPolarHBondContact O-CD2 3.45Å; L100-V110 HydrophobicContact CB-CG1 4.03Å; L100-V110 HydrophobicContact CD1-CG1 3.87Å; L100-P199 HydrophobicContact CD2-CB 3.68Å; L100-P199 HydrophobicContact CD2-CG 3.75Å; L100-P199 HydrophobicContact CG-CB 4.07Å; L100-P199 HydrophobicContact CG-CG 4.31Å
101N86.7Confident91.1Very high39 Ų3943.3 Ų43.321%0.20924%0.237CC..THydrogen-bonded Turntrans-61.8-17.6-177.5-175.137.8000114A96 L97 L103 F106 Y107 Y214A96-N101 PolarHBondContact O-N 3.49Å; L97-N101 WeakPolarHBondContact O-CB 3.16Å; N101-L103 PolarHBondContact O-N 3.26Å; N101-F106 HydrophobicContact CB-CD1 4.31Å; N101-F106 HydrophobicContact CB-CE1 4.31Å; N101-F106 HydrophobicContact CB-CZ 4.47Å; N101-F106 VanDerWaalsContact OD1-CD1 3.31Å; N101-F106 WeakPolarHBondContact OD1-CD1 3.42Å; N101-Y107 WeakPolarHBondContact OD1-CE2 3.13Å; N101-Y214 PolarHBondContact ND2-OH 2.78Å
102S85.6Confident91.3Very high116 Ų11640.4 Ų40.481%0.81123%0.225SC*.THydrogen-bonded Turntrans-73.8-9.1174.362.20000114.1L100L100-S102 PolarHBondContact O-N 3.08Å
103L88.2Confident91.4Very high84 Ų8443 Ų4344%0.4424%0.24SC..SBendtrans-76.3143.2-179.6-64.3-178.9000111.7L100 N101 F106 V110L100-L103 HydrophobicContact CB-CD1 4.13Å; L100-L103 HydrophobicContact CD2-CD1 4.04Å; L100-L103 WeakPolarHBondContact O-CB 3.48Å; L100-L103 WeakPolarHBondContact O-CG 3.43Å; L100-L103 PolarHBondContact O-N 3.24Å; N101-L103 PolarHBondContact O-N 3.26Å; L103-F106 VanDerWaalsContact O-CB 3.25Å; L103-F106 WeakPolarHBondContact O-CB 3.44Å; L103-F106 PolarHBondContact O-N 2.89Å; L103-V110 HydrophobicContact CB-CG2 4.23Å; L103-V110 HydrophobicContact CD1-CG1 4.22Å; L103-V110 HydrophobicContact CD1-CG2 4.02Å
104S90.5Very high91.5Very high100 Ų10044.2 Ų44.270%0.69925%0.248SC*.THydrogen-bonded Turntrans-58.7142.9172-56.30000111.1F106S104-F106 PolarHBondContact O-N 2.71Å; S104-F106 VanDerWaalsContact O-N 3.16Å
105F92.1Very high92Very high141 Ų14142.3 Ų42.362%0.61824%0.239SC*.THydrogen-bonded Turntrans56.925.6-178.9-52.1-79.9000114Y107 L108 I109F105-Y107 PolarHBondContact O-N 2.87Å; F105-L108 HydrophobicContact CD1-CD1 4.27Å; F105-L108 PolarHBondContact O-N 2.88Å; F105-I109 HydrophobicContact CB-CD1 4Å; F105-I109 HydrophobicContact CB-CG1 4.24Å; F105-I109 PolarHBondContact O-N 3.45Å
106F93.2Very high92.3Very high6 Ų641.6 Ų41.63%0.02623%0.234CC..Iπ-helixtrans-50.3-55.2-176.5171.4-97.4000112.7A96 L97 L100 N101 L103 S104 L108 I109 V110 L111A96-F106 HydrophobicContact CB-CE2 3.94Å; A96-F106 HydrophobicContact CB-CZ 4.08Å; A96-F106 VanDerWaalsContact O-CE2 3.23Å; A96-F106 WeakPolarHBondContact O-CE2 3.32Å; A96-F106 WeakPolarHBondContact O-CZ 3.44Å; L97-F106 HydrophobicContact CB-CZ 4.45Å; L97-F106 HydrophobicContact CD2-CE1 3.47Å; L97-F106 VanDerWaalsContact CD2-CE1 3.47Å; L97-F106 HydrophobicContact CD2-CZ 3.94Å; L97-F106 HydrophobicContact CG-CE1 4.07Å; L97-F106 HydrophobicContact CG-CZ 4.04Å; L100-F106 HydrophobicContact CB-CD2 4.2Å; L100-F106 HydrophobicContact CB-CE2 3.93Å; L100-F106 WeakPolarHBondContact O-CD2 3.45Å; N101-F106 HydrophobicContact CB-CD1 4.31Å; N101-F106 HydrophobicContact CB-CE1 4.31Å; N101-F106 HydrophobicContact CB-CZ 4.47Å; N101-F106 VanDerWaalsContact OD1-CD1 3.31Å; N101-F106 WeakPolarHBondContact OD1-CD1 3.42Å; L103-F106 VanDerWaalsContact O-CB 3.25Å; L103-F106 WeakPolarHBondContact O-CB 3.44Å; L103-F106 PolarHBondContact O-N 2.89Å; S104-F106 PolarHBondContact O-N 2.71Å; S104-F106 VanDerWaalsContact O-N 3.16Å; F106-L108 PolarHBondContact O-N 3.01Å; F106-I109 PolarHBondContact O-N 2.61Å; F106-V110 HydrophobicContact CD2-CB 3.66Å; F106-V110 HydrophobicContact CD2-CG1 3.74Å; F106-V110 HydrophobicContact CD2-CG2 4.46Å; F106-V110 HydrophobicContact CE2-CB 4.2Å; F106-V110 HydrophobicContact CE2-CG1 3.92Å; F106-V110 HydrophobicContact CG-CB 4.44Å; F106-V110 PolarHBondContact O-N 3.42Å; F106-L111 HydrophobicContact CD1-CB 4.35Å; F106-L111 HydrophobicContact CE1-CB 3.84Å; F106-L111 HydrophobicContact CE1-CD1 4.34Å; F106-L111 HydrophobicContact CE1-CD2 4.38Å; F106-L111 HydrophobicContact CE1-CG 4.41Å; F106-L111 HydrophobicContact CE2-CB 4.31Å; F106-L111 HydrophobicContact CZ-CB 3.82Å; F106-L111 HydrophobicContact CZ-CD1 4.03Å; F106-L111 HydrophobicContact CZ-CG 4.42Å; F106-L111 WeakPolarHBondContact O-CB 3.16Å; F106-L111 PolarHBondContact O-N 2.81Å
107Y92.1Very high92.6Very high28 Ų2843.8 Ų43.811%0.1125%0.252CS..Iπ-helixtrans-68-16-179.5-73.4-81.4000114.2L97 N101 F105 L111 S143 Y147L97-Y107 HydrophobicContact CD2-CE1 3.92Å; L97-Y107 WeakPolarHBondContact CD2-OH 3.38Å; N101-Y107 WeakPolarHBondContact OD1-CE2 3.13Å; F105-Y107 PolarHBondContact O-N 2.87Å; Y107-L111 HydrophobicContact CD1-CD2 3.78Å; Y107-L111 HydrophobicContact CE1-CD2 4.26Å; Y107-S143 WeakPolarHBondContact O-CB 3.24Å; Y107-S143 PolarHBondContact O-OG 3.23Å; Y107-Y147 HydrophobicContact CG-CD2 4.38Å; Y107-Y147 HydrophobicContact CG-CE2 4.44Å
108L94.1Very high93Very high62 Ų6243.6 Ų43.633%0.32525%0.251SS..Iπ-helixtrans-98.4-29.4-179-62.7178.9000112.6F105 F106 P112 L140 P144 Y147F105-L108 HydrophobicContact CD1-CD1 4.27Å; F105-L108 PolarHBondContact O-N 2.88Å; F106-L108 PolarHBondContact O-N 3.01Å; L108-P112 VanDerWaalsContact O-CG 3.3Å; L108-P112 WeakPolarHBondContact O-CG 3.42Å; L108-L140 WeakPolarHBondContact O-CD2 3.1Å; L108-P144 HydrophobicContact CD2-CB 4.08Å; L108-P144 HydrophobicContact CD2-CG 3.93Å; L108-Y147 HydrophobicContact CD1-CE2 4.34Å; L108-Y147 HydrophobicContact CD2-CD2 3.72Å; L108-Y147 HydrophobicContact CD2-CE2 4.14Å; L108-Y147 HydrophobicContact CG-CD2 3.99Å; L108-Y147 HydrophobicContact CG-CE2 3.89Å
109I95.6Very high93.6Very high84 Ų8442.4 Ų42.443%0.43125%0.245SC..Iπ-helixtrans-126.7-61.8-171.9-57.6178.4000110.8F105 F106 L111 P112 L113F105-I109 HydrophobicContact CB-CD1 4Å; F105-I109 HydrophobicContact CB-CG1 4.24Å; F105-I109 PolarHBondContact O-N 3.45Å; F106-I109 PolarHBondContact O-N 2.61Å; I109-L111 PolarHBondContact O-N 2.89Å; I109-P112 VanDerWaalsContact O-CD 3.29Å; I109-P112 WeakPolarHBondContact O-CD 3.4Å; I109-P112 WeakPolarHBondContact O-CG 3.5Å; I109-L113 HydrophobicContact CG2-CD1 3.71Å; I109-L113 HydrophobicContact CG2-CG 4.47Å; I109-L113 WeakPolarHBondContact O-CB 3.47Å; I109-L113 WeakPolarHBondContact O-CG 3.28Å; I109-L113 PolarHBondContact O-N 3.07Å; I109-L113 VanDerWaalsContact O-N 3.08Å
110V96.2Very high94.2Very high28 Ų2843 Ų4317%0.1725%0.245CC..Iπ-helixtrans-64.7-47-169.3-178.60000111.7L100 L103 F106 S114L100-V110 HydrophobicContact CB-CG1 4.03Å; L100-V110 HydrophobicContact CD1-CG1 3.87Å; L103-V110 HydrophobicContact CB-CG2 4.23Å; L103-V110 HydrophobicContact CD1-CG1 4.22Å; L103-V110 HydrophobicContact CD1-CG2 4.02Å; F106-V110 HydrophobicContact CD2-CB 3.66Å; F106-V110 HydrophobicContact CD2-CG1 3.74Å; F106-V110 HydrophobicContact CD2-CG2 4.46Å; F106-V110 HydrophobicContact CE2-CB 4.2Å; F106-V110 HydrophobicContact CE2-CG1 3.92Å; F106-V110 HydrophobicContact CG-CB 4.44Å; F106-V110 PolarHBondContact O-N 3.42Å; V110-S114 WeakPolarHBondContact O-CB 3.45Å; V110-S114 PolarHBondContact O-N 3.07Å; V110-S114 PolarHBondContact O-OG 2.61Å
111L96.1Very high94.5Very high0 Ų041.8 Ų41.80%024%0.238CC..Hα-helixtrans-60.4-56.3178.7176.166.6000112.7L97 F106 Y107 I109 L113 S114 V115 S152 P153 I156L97-L111 HydrophobicContact CG-CD1 4.39Å; F106-L111 HydrophobicContact CD1-CB 4.35Å; F106-L111 HydrophobicContact CE1-CB 3.84Å; F106-L111 HydrophobicContact CE1-CD1 4.34Å; F106-L111 HydrophobicContact CE1-CD2 4.38Å; F106-L111 HydrophobicContact CE1-CG 4.41Å; F106-L111 HydrophobicContact CE2-CB 4.31Å; F106-L111 HydrophobicContact CZ-CB 3.82Å; F106-L111 HydrophobicContact CZ-CD1 4.03Å; F106-L111 HydrophobicContact CZ-CG 4.42Å; F106-L111 WeakPolarHBondContact O-CB 3.16Å; F106-L111 PolarHBondContact O-N 2.81Å; Y107-L111 HydrophobicContact CD1-CD2 3.78Å; Y107-L111 HydrophobicContact CE1-CD2 4.26Å; I109-L111 PolarHBondContact O-N 2.89Å; L111-L113 VanDerWaalsContact C-N 3.28Å; L111-L113 PolarHBondContact O-N 3.33Å; L111-S114 WeakPolarHBondContact O-CB 3.5Å; L111-S114 PolarHBondContact O-N 3.47Å; L111-S114 VanDerWaalsContact O-N 3.07Å; L111-V115 HydrophobicContact CD1-CG2 4.11Å; L111-V115 WeakPolarHBondContact O-CG2 3.27Å; L111-V115 PolarHBondContact O-N 3.21Å; L111-S152 WeakPolarHBondContact CD2-OG 3.06Å; L111-P153 HydrophobicContact CD1-CG 4.15Å; L111-I156 HydrophobicContact CD2-CD1 3.89Å; L111-I156 HydrophobicContact CG-CD1 4.17Å
112P97.5Very high95Very high0 Ų040.4 Ų40.40%023%0.231CC..Hα-helixtrans-64.2-32.6-178.621.9-31.9000112.7L108 I109 G116 C139 L140 S143 I156L108-P112 VanDerWaalsContact O-CG 3.3Å; L108-P112 WeakPolarHBondContact O-CG 3.42Å; I109-P112 VanDerWaalsContact O-CD 3.29Å; I109-P112 WeakPolarHBondContact O-CD 3.4Å; I109-P112 WeakPolarHBondContact O-CG 3.5Å; P112-G116 PolarHBondContact O-N 2.92Å; P112-C139 HydrophobicContact CB-CB 3.65Å; P112-C139 WeakPolarHBondContact O-CB 3.39Å; P112-L140 HydrophobicContact CB-CD2 4.26Å; P112-L140 HydrophobicContact CG-CD2 3.79Å; P112-S143 WeakPolarHBondContact CD-OG 3.15Å; P112-S143 WeakPolarHBondContact CG-OG 3.22Å; P112-I156 HydrophobicContact CB-CG2 4.33Å
113L97.5Very high95.4Very high73 Ų7334.9 Ų34.938%0.38219%0.193SC..Hα-helixtrans-65.5-40.7172.3-70.4178.6000111.9I109 L111 G116 A117 L136I109-L113 HydrophobicContact CG2-CD1 3.71Å; I109-L113 HydrophobicContact CG2-CG 4.47Å; I109-L113 WeakPolarHBondContact O-CB 3.47Å; I109-L113 WeakPolarHBondContact O-CG 3.28Å; I109-L113 PolarHBondContact O-N 3.07Å; I109-L113 VanDerWaalsContact O-N 3.08Å; L111-L113 VanDerWaalsContact C-N 3.28Å; L111-L113 PolarHBondContact O-N 3.33Å; L113-G116 PolarHBondContact O-N 3.48Å; L113-A117 VanDerWaalsContact O-CB 3.32Å; L113-A117 WeakPolarHBondContact O-CB 3.3Å; L113-A117 PolarHBondContact O-N 3.46Å; L113-L136 HydrophobicContact CD2-CD1 4.38Å; L113-L136 HydrophobicContact CD2-CD2 4.11Å
114S97Very high95.7Very high24 Ų2432.3 Ų32.317%0.16818%0.179CC..Hα-helixtrans-65.2-48.7178-58.10000111.3F92 A96 V110 L111 G116 A117 G118F92-S114 VanDerWaalsContact CB-O 3.29Å; F92-S114 WeakPolarHBondContact CB-O 3.31Å; F92-S114 WeakPolarHBondContact CD1-O 3.28Å; A96-S114 WeakPolarHBondContact CB-OG 3.5Å; V110-S114 WeakPolarHBondContact O-CB 3.45Å; V110-S114 PolarHBondContact O-N 3.07Å; V110-S114 PolarHBondContact O-OG 2.61Å; L111-S114 WeakPolarHBondContact O-CB 3.5Å; L111-S114 PolarHBondContact O-N 3.47Å; L111-S114 VanDerWaalsContact O-N 3.07Å; S114-G116 PolarHBondContact O-N 2.92Å; S114-A117 WeakPolarHBondContact O-CB 3.36Å; S114-A117 PolarHBondContact O-N 2.68Å; S114-G118 PolarHBondContact O-N 3.28Å; S114-G118 VanDerWaalsContact O-N 3.12Å
115V98.1Very high95.7Very high0 Ų028.5 Ų28.50%015%0.152CC..Hα-helixtrans-58.9-48175.5174.40000110.7L111 A117 G118 V119 P153 I156L111-V115 HydrophobicContact CD1-CG2 4.11Å; L111-V115 WeakPolarHBondContact O-CG2 3.27Å; L111-V115 PolarHBondContact O-N 3.21Å; V115-A117 VanDerWaalsContact C-N 3.32Å; V115-A117 PolarHBondContact O-N 2.86Å; V115-G118 PolarHBondContact O-N 2.86Å; V115-G118 VanDerWaalsContact O-N 3.15Å; V115-V119 WeakPolarHBondContact O-CG2 3.2Å; V115-V119 PolarHBondContact O-N 3.02Å; V115-P153 HydrophobicContact CG2-CB 4.27Å; V115-I156 HydrophobicContact CB-CG2 3.84Å; V115-I156 HydrophobicContact CG1-CB 4.17Å; V115-I156 HydrophobicContact CG1-CG2 3.62Å; V115-I156 HydrophobicContact CG2-CG2 4.21Å
116G97.8Very high95.5Very high0 Ų022.5 Ų22.50%013%0.13CC..Hα-helixtrans-61.4-37.6178.500000113.3P112 L113 S114 V119 H120 C139P112-G116 PolarHBondContact O-N 2.92Å; L113-G116 PolarHBondContact O-N 3.48Å; S114-G116 PolarHBondContact O-N 2.92Å; G116-V119 PolarHBondContact O-N 3.4Å; G116-H120 WeakPolarHBondContact O-CB 3.36Å; G116-H120 PolarHBondContact O-N 3.34Å; G116-C139 VanDerWaalsContact CA-SG 3.53Å
117A97.4Very high95.2Very high48 Ų4825 Ų2540%0.39714%0.141SC..Hα-helixtrans-62.3-42.8173.800000111.7F92 L113 S114 V115 H120 L121F92-A117 HydrophobicContact CD1-CB 4.34Å; L113-A117 VanDerWaalsContact O-CB 3.32Å; L113-A117 WeakPolarHBondContact O-CB 3.3Å; L113-A117 PolarHBondContact O-N 3.46Å; S114-A117 WeakPolarHBondContact O-CB 3.36Å; S114-A117 PolarHBondContact O-N 2.68Å; V115-A117 VanDerWaalsContact C-N 3.32Å; V115-A117 PolarHBondContact O-N 2.86Å; A117-H120 PolarHBondContact O-N 2.89Å; A117-L121 VanDerWaalsContact O-CB 3.28Å; A117-L121 WeakPolarHBondContact O-CB 3.29Å; A117-L121 PolarHBondContact O-N 2.66Å
118G97.3Very high95.1Very high0 Ų025.1 Ų25.10%014%0.143CC..Hα-helixtrans-62.3-49.5175.300000112.5S114 V115 H120 L121 V122S114-G118 PolarHBondContact O-N 3.28Å; S114-G118 VanDerWaalsContact O-N 3.12Å; V115-G118 PolarHBondContact O-N 2.86Å; V115-G118 VanDerWaalsContact O-N 3.15Å; G118-H120 VanDerWaalsContact C-N 3.32Å; G118-H120 PolarHBondContact O-N 3.27Å; G118-L121 WeakPolarHBondContact O-CB 3.43Å; G118-L121 PolarHBondContact O-N 2.95Å; G118-V122 PolarHBondContact O-N 2.98Å
119V98Very high95.1Very high0 Ų022.8 Ų22.80%013%0.131CC..Hα-helixtrans-58.6-45.1175.9171.80000110.8Q85 V115 G116 V122 S123 T135 A160 A164Q85-V119 HydrophobicContact CB-CG1 4.2Å; Q85-V119 HydrophobicContact CG-CG1 4.34Å; V115-V119 WeakPolarHBondContact O-CG2 3.2Å; V115-V119 PolarHBondContact O-N 3.02Å; G116-V119 PolarHBondContact O-N 3.4Å; V119-V122 PolarHBondContact O-N 3.42Å; V119-S123 WeakPolarHBondContact O-CB 3.31Å; V119-S123 PolarHBondContact O-N 2.88Å; V119-S123 PolarHBondContact O-OG 3.3Å; V119-T135 HydrophobicContact CB-CG2 4.47Å; V119-T135 HydrophobicContact CG1-CG2 3.88Å; V119-A160 HydrophobicContact CB-CB 4.33Å; V119-A160 HydrophobicContact CG1-CB 4.13Å; V119-A160 HydrophobicContact CG2-CB 3.96Å; V119-A164 HydrophobicContact CG1-CB 4.1Å
120H97.1Very high95Very high26 Ų2618.8 Ų18.812%0.1211%0.111CC..Hα-helixtrans-71.7-30.8-178.3-165.272.2000112.9G116 A117 G118 S123 N124 A130 L132G116-H120 WeakPolarHBondContact O-CB 3.36Å; G116-H120 PolarHBondContact O-N 3.34Å; A117-H120 PolarHBondContact O-N 2.89Å; G118-H120 VanDerWaalsContact C-N 3.32Å; G118-H120 PolarHBondContact O-N 3.27Å; H120-S123 CarbonylContact O-C 3.47Å; H120-S123 WeakPolarHBondContact O-CA 3.38Å; H120-S123 WeakPolarHBondContact O-CB 3.48Å; H120-S123 PolarHBondContact O-N 3.23Å; H120-N124 PolarHBondContact CD2-ND2 2.89Å; H120-N124 PolarHBondContact NE2-ND2 3.09Å; H120-N124 PolarHBondContact O-N 3.18Å; H120-N124 PolarHBondContact O-ND2 2.62Å; H120-A130 PolarHBondContact CE1-O 3.11Å; H120-L132 HydrophobicContact CB-CD1 3.91Å; H120-L132 VanDerWaalsContact CG-CD1 3.5Å
121L96.7Very high95Very high18 Ų1819.2 Ų19.29%0.09411%0.112CC..Hα-helixtrans-60.5-48.7173.5-179.160.8000111.1S29 L32 L33 L36 F92 A117 G118 S123 N124S29-L121 WeakPolarHBondContact O-CD1 3.47Å; L32-L121 HydrophobicContact CB-CD1 4.32Å; L32-L121 HydrophobicContact CD2-CD1 3.95Å; L32-L121 HydrophobicContact CG-CD1 4.29Å; L32-L121 HydrophobicContact CG-CD2 4.47Å; L33-L121 HydrophobicContact CB-CD2 4.1Å; L33-L121 HydrophobicContact CB-CG 4.14Å; L33-L121 HydrophobicContact CD1-CD2 4.06Å; L33-L121 HydrophobicContact CD1-CG 4.39Å; L36-L121 HydrophobicContact CD1-CD2 4.12Å; F92-L121 HydrophobicContact CE2-CD2 4.45Å; F92-L121 HydrophobicContact CZ-CD2 3.78Å; A117-L121 VanDerWaalsContact O-CB 3.28Å; A117-L121 WeakPolarHBondContact O-CB 3.29Å; A117-L121 PolarHBondContact O-N 2.66Å; G118-L121 WeakPolarHBondContact O-CB 3.43Å; G118-L121 PolarHBondContact O-N 2.95Å; L121-S123 VanDerWaalsContact C-N 3.29Å; L121-S123 PolarHBondContact O-N 3.26Å; L121-N124 PolarHBondContact O-N 3.35Å
122V96.4Very high95Very high10 Ų1022.7 Ų22.76%0.06113%0.131CC..Hα-helixtrans-64.3-38.7173.6-177.20000110.9L33 R81 Q85 V88 G118 V119 N124 V125L33-V122 HydrophobicContact CD1-CG2 4.17Å; L33-V122 HydrophobicContact CD2-CG2 4.16Å; R81-V122 HydrophobicContact CG-CG1 4.24Å; R81-V122 PolarHBondContact NH2-O 3.35Å; Q85-V122 HydrophobicContact CG-CB 3.82Å; Q85-V122 HydrophobicContact CG-CG1 3.74Å; V88-V122 HydrophobicContact CB-CG2 3.55Å; V88-V122 HydrophobicContact CG1-CG2 3.83Å; V88-V122 HydrophobicContact CG2-CG2 3.58Å; G118-V122 PolarHBondContact O-N 2.98Å; V119-V122 PolarHBondContact O-N 3.42Å; V122-N124 PolarHBondContact O-N 3.46Å; V122-N124 VanDerWaalsContact O-N 3.12Å; V122-V125 WeakPolarHBondContact O-CB 3.41Å; V122-V125 WeakPolarHBondContact O-CG2 3.11Å; V122-V125 PolarHBondContact O-N 2.95Å
123S95.1Very high95Very high1 Ų129.9 Ų29.91%0.00716%0.164CC..Hα-helixtrans-60.8-19.6174.4-54.60000112.8R81 Q85 V119 H120 L121 Q128 T129R81-S123 PolarHBondContact NH2-O 2.94Å; Q85-S123 PolarHBondContact NE2-OG 3.02Å; V119-S123 WeakPolarHBondContact O-CB 3.31Å; V119-S123 PolarHBondContact O-N 2.88Å; V119-S123 PolarHBondContact O-OG 3.3Å; H120-S123 CarbonylContact O-C 3.47Å; H120-S123 WeakPolarHBondContact O-CA 3.38Å; H120-S123 WeakPolarHBondContact O-CB 3.48Å; H120-S123 PolarHBondContact O-N 3.23Å; L121-S123 VanDerWaalsContact C-N 3.29Å; L121-S123 PolarHBondContact O-N 3.26Å; S123-Q128 CarbonylContact O-C 3.54Å; S123-T129 WeakPolarHBondContact O-CA 3.28Å
124N94.4Very high94.9Very high29 Ų2931 Ų3116%0.15517%0.166CC..THydrogen-bonded Turntrans-97.98.6176.6-78.8-41.6000114.1H120 L121 V122 G126 T129 K171H120-N124 PolarHBondContact CD2-ND2 2.89Å; H120-N124 PolarHBondContact NE2-ND2 3.09Å; H120-N124 PolarHBondContact O-N 3.18Å; H120-N124 PolarHBondContact O-ND2 2.62Å; L121-N124 PolarHBondContact O-N 3.35Å; V122-N124 PolarHBondContact O-N 3.46Å; V122-N124 VanDerWaalsContact O-N 3.12Å; N124-G126 PolarHBondContact O-N 3.37Å; N124-T129 VanDerWaalsContact OD1-CB 3.24Å; N124-T129 WeakPolarHBondContact OD1-CB 3.45Å; N124-T129 PolarHBondContact OD1-OG1 3.29Å; N124-K171 WeakPolarHBondContact O-CE 3.33Å; N124-K171 PolarHBondContact O-NZ 2.64Å
125V91.2Very high95Very high21 Ų2129.9 Ų29.913%0.12716%0.158CC..SBendtrans-73.5128.1177.9173.50000111.1H30 L33 R81 V122H30-V125 WeakPolarHBondContact CD2-CG1 3.42Å; L33-V125 HydrophobicContact CD2-CG2 3.73Å; R81-V125 PolarHBondContact NH1-O 3.33Å; R81-V125 PolarHBondContact NH2-O 3.45Å; V122-V125 WeakPolarHBondContact O-CB 3.41Å; V122-V125 WeakPolarHBondContact O-CG2 3.11Å; V122-V125 PolarHBondContact O-N 2.95Å
126G87.4Confident94.9Very high15 Ų1531.9 Ų31.916%0.15517%0.168CC..THydrogen-bonded Turntrans73.6-141.5-179.200000113.1N124 K171N124-G126 PolarHBondContact O-N 3.37Å; G126-K171 WeakPolarHBondContact O-CE 3.43Å; G126-K171 PolarHBondContact O-NZ 3.27Å
127Q86.6Confident94.9Very high57 Ų5735.3 Ų35.327%0.26619%0.19SC..THydrogen-bonded Turntrans-89.50.8-175.8-57.4-62.2-25.100114.2E58 D62 K171E58-Q127 WeakPolarHBondContact OE1-CG 3.43Å; D62-Q127 PolarHBondContact OD2-NE2 3.41Å; Q127-K171 PolarHBondContact O-N 2.97Å
128Q90.5Very high94.9Very high31 Ų3133.8 Ų33.815%0.14518%0.177CC..EExtended strand (participates in β ladder)trans-105.5150.6-179-60.2177.79.800109.9P75 R81 S123 R169 F170 K171P75-Q128 VanDerWaalsContact CB-CD 3.43Å; P75-Q128 HydrophobicContact CB-CG 3.69Å; P75-Q128 HydrophobicContact CG-CG 4.21Å; R81-Q128 PolarHBondContact NH2-O 3.01Å; S123-Q128 CarbonylContact O-C 3.54Å; Q128-R169 WeakPolarHBondContact CA-O 3.39Å; Q128-F170 HydrophobicContact CG-CD1 4.31Å; Q128-F170 HydrophobicContact CG-CE1 4.26Å; Q128-K171 WeakPolarHBondContact O-CE 3.32Å
129T93.6Very high95Very high13 Ų1333.8 Ų33.88%0.0818%0.177CC..EExtended strand (participates in β ladder)trans-138.1171.1171-171.40000109.5S123 N124 R169 K171S123-T129 WeakPolarHBondContact O-CA 3.28Å; N124-T129 VanDerWaalsContact OD1-CB 3.24Å; N124-T129 WeakPolarHBondContact OD1-CB 3.45Å; N124-T129 PolarHBondContact OD1-OG1 3.29Å; T129-R169 HydrophobicContact CG2-CG 3.48Å; T129-R169 VanDerWaalsContact CG2-CG 3.48Å; T129-R169 PolarHBondContact N-O 3.46Å; T129-R169 PolarHBondContact O-N 2.98Å; T129-K171 HydrophobicContact CG2-CG 4.03Å
130A94.3Very high94.9Very high1 Ų137.1 Ų37.11%0.00819%0.194CC..EExtended strand (participates in β ladder)trans-123.5166.5170.300000109.5H120 L132 A164 H167H120-A130 PolarHBondContact CE1-O 3.11Å; A130-L132 PolarHBondContact O-N 3.46Å; A130-A164 HydrophobicContact CB-CB 3.83Å; A130-H167 WeakPolarHBondContact CA-O 3.11Å
131D95.5Very high94.9Very high36 Ų3640.5 Ų40.519%0.19322%0.217CC..  trans-68.6111.6171.3-166.7-70.7000110.6Q133 K134 T135 H167D131-Q133 PolarHBondContact OD1-N 3.2Å; D131-Q133 VanDerWaalsContact OD1-N 3.08Å; D131-K134 HydrophobicContact CB-CB 4.19Å; D131-K134 HydrophobicContact CB-CD 4.17Å; D131-K134 HydrophobicContact CB-CG 4.29Å; D131-K134 WeakPolarHBondContact OD1-CG 3.2Å; D131-K134 PolarHBondContact OD1-N 3Å; D131-T135 WeakPolarHBondContact O-CB 3.3Å; D131-T135 PolarHBondContact O-N 3.43Å; D131-T135 VanDerWaalsContact O-N 3.14Å; D131-T135 PolarHBondContact O-OG1 2.92Å; D131-H167 HydrophobicContact CB-CB 3.85Å; D131-H167 PolarHBondContact N-O 2.93Å; D131-H167 VanDerWaalsContact N-O 3.07Å
132L95.4Very high94.9Very high74 Ų7440.7 Ų40.739%0.38722%0.218SC..Hα-helixtrans-64.4-44.6-178176.559.8000111.4H120 A130 K134 T135 L136H120-L132 HydrophobicContact CB-CD1 3.91Å; H120-L132 VanDerWaalsContact CG-CD1 3.5Å; A130-L132 PolarHBondContact O-N 3.46Å; L132-K134 PolarHBondContact O-N 3.5Å; L132-T135 PolarHBondContact O-N 2.95Å; L132-L136 HydrophobicContact CD1-CD1 3.79Å; L132-L136 HydrophobicContact CD1-CD2 4.33Å; L132-L136 HydrophobicContact CD1-CG 3.78Å; L132-L136 HydrophobicContact CG-CD1 3.93Å; L132-L136 HydrophobicContact CG-CG 4.27Å; L132-L136 WeakPolarHBondContact O-CG 3.13Å; L132-L136 PolarHBondContact O-N 3.48Å
133Q97Very high94.8Very high151 Ų15140.2 Ų40.271%0.70622%0.215SC*.Hα-helixtrans-62.5-49.1-174.5-176.6177.2-9.800110.1D131 T135 L136 T137D131-Q133 PolarHBondContact OD1-N 3.2Å; D131-Q133 VanDerWaalsContact OD1-N 3.08Å; Q133-T135 VanDerWaalsContact C-N 3.32Å; Q133-T135 PolarHBondContact O-N 2.92Å; Q133-L136 PolarHBondContact O-N 2.83Å; Q133-T137 PolarHBondContact O-N 3.3Å; Q133-T137 PolarHBondContact O-OG1 3.22Å
134K97.2Very high94.8Very high97 Ų9743.3 Ų43.342%0.42224%0.236SC..Hα-helixtrans-62.2-40.2177.3-66-178.5175-173.80112.3D131 L132 T137 A138 T163 H167D131-K134 HydrophobicContact CB-CB 4.19Å; D131-K134 HydrophobicContact CB-CD 4.17Å; D131-K134 HydrophobicContact CB-CG 4.29Å; D131-K134 WeakPolarHBondContact OD1-CG 3.2Å; D131-K134 PolarHBondContact OD1-N 3Å; L132-K134 PolarHBondContact O-N 3.5Å; K134-T137 PolarHBondContact O-N 2.73Å; K134-A138 PolarHBondContact O-N 3.38Å; K134-T163 HydrophobicContact CB-CG2 3.91Å; K134-H167 HydrophobicContact CD-CB 4.37Å; K134-H167 WeakPolarHBondContact CD-CD2 3.46Å; K134-H167 WeakPolarHBondContact CD-NE2 3.49Å; K134-H167 PolarHBondContact NZ-CD2 3.21Å; K134-H167 PolarHBondContact NZ-NE2 3.46Å
135T97.3Very high94.8Very high0 Ų047.8 Ų47.80%026%0.258CS..Hα-helixtrans-62.4-44.7177.1-55.30000111.3V119 D131 L132 Q133 A138 C139 A160 A164V119-T135 HydrophobicContact CB-CG2 4.47Å; V119-T135 HydrophobicContact CG1-CG2 3.88Å; D131-T135 WeakPolarHBondContact O-CB 3.3Å; D131-T135 PolarHBondContact O-N 3.43Å; D131-T135 VanDerWaalsContact O-N 3.14Å; D131-T135 PolarHBondContact O-OG1 2.92Å; L132-T135 PolarHBondContact O-N 2.95Å; Q133-T135 VanDerWaalsContact C-N 3.32Å; Q133-T135 PolarHBondContact O-N 2.92Å; T135-A138 PolarHBondContact O-N 3.46Å; T135-C139 PolarHBondContact O-N 3.31Å; T135-C139 VanDerWaalsContact O-N 3.17Å; T135-C139 PolarHBondContact O-SG 3.45Å; T135-A160 HydrophobicContact CG2-CB 4.01Å; T135-A164 HydrophobicContact CG2-CB 4.39Å
136L97.7Very high94.7Very high41 Ų4150.7 Ų50.722%0.21527%0.269CS..Hα-helixtrans-69.5-39.1177.8-69.1180000112.4L113 L132 Q133 A138 C139 L140L113-L136 HydrophobicContact CD2-CD1 4.38Å; L113-L136 HydrophobicContact CD2-CD2 4.11Å; L132-L136 HydrophobicContact CD1-CD1 3.79Å; L132-L136 HydrophobicContact CD1-CD2 4.33Å; L132-L136 HydrophobicContact CD1-CG 3.78Å; L132-L136 HydrophobicContact CG-CD1 3.93Å; L132-L136 HydrophobicContact CG-CG 4.27Å; L132-L136 WeakPolarHBondContact O-CG 3.13Å; L132-L136 PolarHBondContact O-N 3.48Å; Q133-L136 PolarHBondContact O-N 2.83Å; L136-A138 VanDerWaalsContact C-N 3.3Å; L136-A138 PolarHBondContact O-N 3.12Å; L136-C139 WeakPolarHBondContact O-CB 3.12Å; L136-C139 PolarHBondContact O-N 2.81Å; L136-C139 VanDerWaalsContact O-N 3.15Å; L136-L140 WeakPolarHBondContact O-CG 3.48Å; L136-L140 PolarHBondContact O-N 3.05Å
137T97.7Very high94.9Very high73 Ų7356.9 Ų56.945%0.44829%0.289SS..Hα-helixtrans-58.3-44.4173.4-59.80000110.8Q133 K134 C139 L140 V141Q133-T137 PolarHBondContact O-N 3.3Å; Q133-T137 PolarHBondContact O-OG1 3.22Å; K134-T137 PolarHBondContact O-N 2.73Å; T137-C139 VanDerWaalsContact C-N 3.31Å; T137-C139 PolarHBondContact O-N 3.06Å; T137-L140 PolarHBondContact O-N 3.33Å; T137-V141 HydrophobicContact CG2-CG2 4.21Å; T137-V141 WeakPolarHBondContact O-CB 3.48Å; T137-V141 VanDerWaalsContact O-CG2 3.28Å; T137-V141 WeakPolarHBondContact O-CG2 3.39Å; T137-V141 PolarHBondContact O-N 2.98Å
138A97.8Very high94.5Very high15 Ų1556.3 Ų56.312%0.12430%0.298CS..Hα-helixtrans-59.8-41.1175.800000112.3K134 T135 L136 T142 T163K134-A138 PolarHBondContact O-N 3.38Å; T135-A138 PolarHBondContact O-N 3.46Å; L136-A138 VanDerWaalsContact C-N 3.3Å; L136-A138 PolarHBondContact O-N 3.12Å; A138-T142 WeakPolarHBondContact O-CB 3.32Å; A138-T142 PolarHBondContact O-N 3.15Å; A138-T142 PolarHBondContact O-OG1 3.12Å; A138-T163 HydrophobicContact CB-CG2 4.26Å; A138-T163 WeakPolarHBondContact CB-OG1 3.36Å
139C97.6Very high94.1Very high0 Ų057 Ų570%031%0.306CS..Hα-helixtrans-60.7-51.7175.3-59.50000111.3P112 G116 T135 L136 T137 V141 T142 S143 I156 A160P112-C139 HydrophobicContact CB-CB 3.65Å; P112-C139 WeakPolarHBondContact O-CB 3.39Å; G116-C139 VanDerWaalsContact CA-SG 3.53Å; T135-C139 PolarHBondContact O-N 3.31Å; T135-C139 VanDerWaalsContact O-N 3.17Å; T135-C139 PolarHBondContact O-SG 3.45Å; L136-C139 WeakPolarHBondContact O-CB 3.12Å; L136-C139 PolarHBondContact O-N 2.81Å; L136-C139 VanDerWaalsContact O-N 3.15Å; T137-C139 VanDerWaalsContact C-N 3.31Å; T137-C139 PolarHBondContact O-N 3.06Å; C139-V141 VanDerWaalsContact C-N 3.32Å; C139-V141 PolarHBondContact O-N 2.96Å; C139-T142 PolarHBondContact O-N 3.25Å; C139-S143 WeakPolarHBondContact O-CB 3.42Å; C139-S143 PolarHBondContact O-N 3.45Å; C139-I156 HydrophobicContact CB-CG2 3.78Å; C139-A160 WeakPolarHBondContact SG-CB 3.3Å
140L97.5Very high93.4Very high71 Ų7158 Ų5837%0.37231%0.314SS..Hα-helixtrans-64.6-33.9-177.6-71.1168.9000112.8L108 P112 L136 T137 P144L108-L140 WeakPolarHBondContact O-CD2 3.1Å; P112-L140 HydrophobicContact CB-CD2 4.26Å; P112-L140 HydrophobicContact CG-CD2 3.79Å; L136-L140 WeakPolarHBondContact O-CG 3.48Å; L136-L140 PolarHBondContact O-N 3.05Å; T137-L140 PolarHBondContact O-N 3.33Å; L140-P144 WeakPolarHBondContact O-CD 3.19Å
141V97.2Very high92.9Very high97 Ų9761.6 Ų61.659%0.58833%0.333SS*.Hα-helixtrans-73.9-35.2176.6169.80000111.7T137 C139 P144T137-V141 HydrophobicContact CG2-CG2 4.21Å; T137-V141 WeakPolarHBondContact O-CB 3.48Å; T137-V141 VanDerWaalsContact O-CG2 3.28Å; T137-V141 WeakPolarHBondContact O-CG2 3.39Å; T137-V141 PolarHBondContact O-N 2.98Å; C139-V141 VanDerWaalsContact C-N 3.32Å; C139-V141 PolarHBondContact O-N 2.96Å; V141-P144 WeakPolarHBondContact O-CD 3.4Å
142T95.6Very high92.6Very high21 Ų2159.9 Ų59.913%0.12932%0.323CS..Hα-helixtrans-80.2-30.9-177.5-55.50000111.9A138 C139 I145 F146 P155 I156 A159A138-T142 WeakPolarHBondContact O-CB 3.32Å; A138-T142 PolarHBondContact O-N 3.15Å; A138-T142 PolarHBondContact O-OG1 3.12Å; C139-T142 PolarHBondContact O-N 3.25Å; T142-I145 WeakPolarHBondContact O-CB 3.47Å; T142-I145 PolarHBondContact O-N 2.94Å; T142-F146 HydrophobicContact CG2-CD2 4.27Å; T142-F146 HydrophobicContact CG2-CE2 4.24Å; T142-P155 HydrophobicContact CG2-CB 4.29Å; T142-I156 HydrophobicContact CG2-CG1 4.15Å; T142-A159 HydrophobicContact CG2-CB 4.26Å; T142-A159 WeakPolarHBondContact OG1-CB 3.47Å
143S95.1Very high92.5Very high0 Ų056.4 Ų56.40%031%0.305CS..G310 helixtrans-56.2-47.3-174.8-141.90000115.2Y107 P112 C139 I145 F146 Y147 I156Y107-S143 WeakPolarHBondContact O-CB 3.24Å; Y107-S143 PolarHBondContact O-OG 3.23Å; P112-S143 WeakPolarHBondContact CD-OG 3.15Å; P112-S143 WeakPolarHBondContact CG-OG 3.22Å; C139-S143 WeakPolarHBondContact O-CB 3.42Å; C139-S143 PolarHBondContact O-N 3.45Å; S143-I145 PolarHBondContact O-N 3.24Å; S143-F146 CarbonylContact O-C 3.44Å; S143-F146 PolarHBondContact O-N 3.28Å; S143-F146 VanDerWaalsContact O-N 3.17Å; S143-Y147 PolarHBondContact O-N 2.84Å; S143-I156 VanDerWaalsContact OG-CD1 3.27Å; S143-I156 WeakPolarHBondContact OG-CD1 3.22Å
144P94.6Very high92.3Very high66 Ų6653.1 Ų53.143%0.42929%0.292SS..G310 helixtrans-61.8-27.9-178.7-23.333.2000113.8L108 L140 V141 F146 Y147L108-P144 HydrophobicContact CD2-CB 4.08Å; L108-P144 HydrophobicContact CD2-CG 3.93Å; L140-P144 WeakPolarHBondContact O-CD 3.19Å; V141-P144 WeakPolarHBondContact O-CD 3.4Å; P144-F146 PolarHBondContact O-N 3.19Å; P144-Y147 WeakPolarHBondContact O-CB 3.37Å; P144-Y147 PolarHBondContact O-N 3.4Å
145I94.3Very high92.2Very high123 Ų12349.6 Ų49.663%0.63128%0.279SS*.G310 helixtrans-64.6-32.1-179.5-56.2174.6000110.8T142 S143T142-I145 WeakPolarHBondContact O-CB 3.47Å; T142-I145 PolarHBondContact O-N 2.94Å; S143-I145 PolarHBondContact O-N 3.24Å
146F89.5Confident92.2Very high83 Ų8349.6 Ų49.636%0.36428%0.279SS..G310 helixtrans-114.829.5-177-60.6-85000111.8T142 S143 P144 G148 S149 S152 P155T142-F146 HydrophobicContact CG2-CD2 4.27Å; T142-F146 HydrophobicContact CG2-CE2 4.24Å; S143-F146 CarbonylContact O-C 3.44Å; S143-F146 PolarHBondContact O-N 3.28Å; S143-F146 VanDerWaalsContact O-N 3.17Å; P144-F146 PolarHBondContact O-N 3.19Å; F146-G148 PolarHBondContact O-N 3.41Å; F146-S149 PolarHBondContact O-N 2.84Å; F146-S152 WeakPolarHBondContact O-CB 3.42Å; F146-P155 HydrophobicContact CB-CG 4.34Å; F146-P155 HydrophobicContact CD1-CG 3.94Å; F146-P155 HydrophobicContact CD2-CB 3.81Å; F146-P155 HydrophobicContact CD2-CG 3.45Å; F146-P155 VanDerWaalsContact CD2-CG 3.45Å; F146-P155 HydrophobicContact CE1-CB 4.4Å; F146-P155 HydrophobicContact CE1-CG 4.07Å; F146-P155 HydrophobicContact CE2-CB 3.46Å; F146-P155 VanDerWaalsContact CE2-CB 3.46Å; F146-P155 HydrophobicContact CE2-CG 3.61Å; F146-P155 HydrophobicContact CG-CB 4.42Å; F146-P155 HydrophobicContact CG-CG 3.63Å; F146-P155 HydrophobicContact CZ-CB 3.79Å; F146-P155 HydrophobicContact CZ-CG 3.91Å
147Y90Very high92.2Very high145 Ų14547.7 Ų47.757%0.56927%0.269SS*.THydrogen-bonded Turntrans-55.6132.4-177.3-176.7-87.7000111.9Y107 L108 S143 P144 S149Y107-Y147 HydrophobicContact CG-CD2 4.38Å; Y107-Y147 HydrophobicContact CG-CE2 4.44Å; L108-Y147 HydrophobicContact CD1-CE2 4.34Å; L108-Y147 HydrophobicContact CD2-CD2 3.72Å; L108-Y147 HydrophobicContact CD2-CE2 4.14Å; L108-Y147 HydrophobicContact CG-CD2 3.99Å; L108-Y147 HydrophobicContact CG-CE2 3.89Å; S143-Y147 PolarHBondContact O-N 2.84Å; P144-Y147 WeakPolarHBondContact O-CB 3.37Å; P144-Y147 PolarHBondContact O-N 3.4Å; Y147-S149 VanDerWaalsContact C-N 3.25Å; Y147-S149 PolarHBondContact O-N 2.67Å
148G79.3Confident92.2Very high44 Ų4447.8 Ų47.845%0.45427%0.267SS..THydrogen-bonded Turntrans78.1-2.9175.600000115.7F146F146-G148 PolarHBondContact O-N 3.41Å
149S82.3Confident92.2Very high45 Ų4548.2 Ų48.232%0.31527%0.27SS..  trans-88.3133.9177.5-178.30000111.9F146 Y147 L151 S152F146-S149 PolarHBondContact O-N 2.84Å; Y147-S149 VanDerWaalsContact C-N 3.25Å; Y147-S149 PolarHBondContact O-N 2.67Å; S149-L151 PolarHBondContact O-N 2.81Å; S149-L151 VanDerWaalsContact O-N 3.16Å; S149-L151 PolarHBondContact OG-N 2.83Å; S149-S152 WeakPolarHBondContact O-CB 3.28Å; S149-S152 PolarHBondContact O-N 3.02Å; S149-S152 PolarHBondContact O-OG 2.91Å
150S78.1Confident92.3Very high34 Ų3448.2 Ų48.224%0.23827%0.27CS..THydrogen-bonded Turntrans-60.1-20.9169.3-55.10000112.7S152 P153 D217S150-S152 VanDerWaalsContact C-N 3.35Å; S150-P153 VanDerWaalsContact O-CD 3.31Å; S150-P153 WeakPolarHBondContact O-CD 3.47Å; S150-D217 PolarHBondContact OG-OD2 2.82Å
151L84.5Confident92.3Very high77 Ų7744.9 Ų44.940%0.40325%0.253SS..THydrogen-bonded Turntrans-85-5.4177.1-65.1-178.4000113.9S149 P153 L154 P155 A221 I225S149-L151 PolarHBondContact O-N 2.81Å; S149-L151 VanDerWaalsContact O-N 3.16Å; S149-L151 PolarHBondContact OG-N 2.83Å; L151-P153 VanDerWaalsContact C-N 3.3Å; L151-P153 WeakPolarHBondContact O-CD 3.38Å; L151-P153 VanDerWaalsContact O-N 3.16Å; L151-L154 PolarHBondContact O-N 3.05Å; L151-L154 VanDerWaalsContact O-N 3.15Å; L151-P155 WeakPolarHBondContact O-CD 3.2Å; L151-A221 HydrophobicContact CD2-CB 3.87Å; L151-I225 HydrophobicContact CD2-CD1 3.91Å; L151-I225 HydrophobicContact CD2-CG1 4.47Å
152S88.6Confident92.3Very high0 Ų043.7 Ų43.70%024%0.243CC..THydrogen-bonded Turntrans-52-32.6-179.154.10000115.8L111 F146 S149 S150 L154 P155 I156L111-S152 WeakPolarHBondContact CD2-OG 3.06Å; F146-S152 WeakPolarHBondContact O-CB 3.42Å; S149-S152 WeakPolarHBondContact O-CB 3.28Å; S149-S152 PolarHBondContact O-N 3.02Å; S149-S152 PolarHBondContact O-OG 2.91Å; S150-S152 VanDerWaalsContact C-N 3.35Å; S152-L154 VanDerWaalsContact C-N 3.26Å; S152-L154 PolarHBondContact O-N 2.94Å; S152-P155 VanDerWaalsContact O-CD 3.29Å; S152-P155 WeakPolarHBondContact O-CD 3.48Å; S152-P155 WeakPolarHBondContact O-CG 3.05Å; S152-I156 WeakPolarHBondContact O-CD1 3.49Å; S152-I156 WeakPolarHBondContact O-CG1 3.48Å; S152-I156 PolarHBondContact O-N 2.82Å
153P94.1Very high92.4Very high1 Ų143.9 Ų43.91%0.00624%0.243CC..Hα-helixtrans-60.1-32.6177.7-2636.6000114.3M94 L97 L111 V115 S150 L151 S157M94-P153 HydrophobicContact SD-CB 4.29Å; M94-P153 HydrophobicContact SD-CG 3.74Å; L97-P153 HydrophobicContact CD1-CG 3.59Å; L111-P153 HydrophobicContact CD1-CG 4.15Å; V115-P153 HydrophobicContact CG2-CB 4.27Å; S150-P153 VanDerWaalsContact O-CD 3.31Å; S150-P153 WeakPolarHBondContact O-CD 3.47Å; L151-P153 VanDerWaalsContact C-N 3.3Å; L151-P153 WeakPolarHBondContact O-CD 3.38Å; L151-P153 VanDerWaalsContact O-N 3.16Å; P153-S157 WeakPolarHBondContact O-CB 3.17Å; P153-S157 PolarHBondContact O-N 3Å
154L93.1Very high92.5Very high83 Ų8343.9 Ų43.944%0.43524%0.244SC..Hα-helixtrans-66.1-57.7-175.5-178.5132.6000113.4I90 L151 S152 I156 S157 L158I90-L154 HydrophobicContact CD1-CB 4.35Å; I90-L154 HydrophobicContact CD1-CD1 4Å; I90-L154 HydrophobicContact CD1-CG 4.26Å; I90-L154 HydrophobicContact CG1-CB 4.44Å; L151-L154 PolarHBondContact O-N 3.05Å; L151-L154 VanDerWaalsContact O-N 3.15Å; S152-L154 VanDerWaalsContact C-N 3.26Å; S152-L154 PolarHBondContact O-N 2.94Å; L154-I156 VanDerWaalsContact C-N 3.33Å; L154-I156 PolarHBondContact O-N 3.32Å; L154-S157 PolarHBondContact O-N 3.44Å; L154-L158 WeakPolarHBondContact O-CB 3.38Å; L154-L158 PolarHBondContact O-N 3.18Å
155P94.8Very high92.5Very high23 Ų2342 Ų4215%0.14923%0.233CC..Hα-helixtrans-63.9-38.1178.324.5-33.1000112.2T142 F146 L151 S152 S157 L158 A159T142-P155 HydrophobicContact CG2-CB 4.29Å; F146-P155 HydrophobicContact CB-CG 4.34Å; F146-P155 HydrophobicContact CD1-CG 3.94Å; F146-P155 HydrophobicContact CD2-CB 3.81Å; F146-P155 HydrophobicContact CD2-CG 3.45Å; F146-P155 VanDerWaalsContact CD2-CG 3.45Å; F146-P155 HydrophobicContact CE1-CB 4.4Å; F146-P155 HydrophobicContact CE1-CG 4.07Å; F146-P155 HydrophobicContact CE2-CB 3.46Å; F146-P155 VanDerWaalsContact CE2-CB 3.46Å; F146-P155 HydrophobicContact CE2-CG 3.61Å; F146-P155 HydrophobicContact CG-CB 4.42Å; F146-P155 HydrophobicContact CG-CG 3.63Å; F146-P155 HydrophobicContact CZ-CB 3.79Å; F146-P155 HydrophobicContact CZ-CG 3.91Å; L151-P155 WeakPolarHBondContact O-CD 3.2Å; S152-P155 VanDerWaalsContact O-CD 3.29Å; S152-P155 WeakPolarHBondContact O-CD 3.48Å; S152-P155 WeakPolarHBondContact O-CG 3.05Å; P155-S157 PolarHBondContact O-N 3.38Å; P155-L158 PolarHBondContact O-N 3.06Å; P155-A159 WeakPolarHBondContact O-CB 3.41Å; P155-A159 PolarHBondContact O-N 2.8Å
156I97.4Very high92.6Very high0 Ų042.1 Ų42.10%023%0.231CC..Hα-helixtrans-60.2-48.1175.8-62169.6000110L111 P112 V115 C139 T142 S143 S152 L154 L158 A159 A160L111-I156 HydrophobicContact CD2-CD1 3.89Å; L111-I156 HydrophobicContact CG-CD1 4.17Å; P112-I156 HydrophobicContact CB-CG2 4.33Å; V115-I156 HydrophobicContact CB-CG2 3.84Å; V115-I156 HydrophobicContact CG1-CB 4.17Å; V115-I156 HydrophobicContact CG1-CG2 3.62Å; V115-I156 HydrophobicContact CG2-CG2 4.21Å; C139-I156 HydrophobicContact CB-CG2 3.78Å; T142-I156 HydrophobicContact CG2-CG1 4.15Å; S143-I156 VanDerWaalsContact OG-CD1 3.27Å; S143-I156 WeakPolarHBondContact OG-CD1 3.22Å; S152-I156 WeakPolarHBondContact O-CD1 3.49Å; S152-I156 WeakPolarHBondContact O-CG1 3.48Å; S152-I156 PolarHBondContact O-N 2.82Å; L154-I156 VanDerWaalsContact C-N 3.33Å; L154-I156 PolarHBondContact O-N 3.32Å; I156-L158 VanDerWaalsContact C-N 3.33Å; I156-L158 PolarHBondContact O-N 3.43Å; I156-A159 PolarHBondContact O-N 2.78Å; I156-A160 VanDerWaalsContact O-CB 3.24Å; I156-A160 WeakPolarHBondContact O-CB 3.46Å; I156-A160 PolarHBondContact O-N 3.28Å
157S97.9Very high92.8Very high0 Ų041.1 Ų41.10%023%0.228CC..Hα-helixtrans-66.8-35.8-179-170.30000112.2V86 G89 I90 P153 L154 P155 S161V86-S157 WeakPolarHBondContact CA-OG 3.35Å; V86-S157 PolarHBondContact O-OG 3.05Å; G89-S157 VanDerWaalsContact CA-OG 3.3Å; G89-S157 WeakPolarHBondContact CA-OG 3.32Å; I90-S157 PolarHBondContact N-OG 2.98Å; P153-S157 WeakPolarHBondContact O-CB 3.17Å; P153-S157 PolarHBondContact O-N 3Å; L154-S157 PolarHBondContact O-N 3.44Å; P155-S157 PolarHBondContact O-N 3.38Å; S157-S161 VanDerWaalsContact O-CB 3.25Å; S157-S161 WeakPolarHBondContact O-CB 3.28Å; S157-S161 PolarHBondContact O-N 2.92Å; S157-S161 PolarHBondContact O-OG 2.86Å
158L97.8Very high93Very high75 Ų7537.3 Ų37.339%0.39321%0.212SC..Hα-helixtrans-66.3-50.6176.4-174.365.9000111F82 V86 L154 P155 I156 A160 S161 I162F82-L158 HydrophobicContact CZ-CD1 4.01Å; V86-L158 HydrophobicContact CG2-CD1 4.24Å; L154-L158 WeakPolarHBondContact O-CB 3.38Å; L154-L158 PolarHBondContact O-N 3.18Å; P155-L158 PolarHBondContact O-N 3.06Å; I156-L158 VanDerWaalsContact C-N 3.33Å; I156-L158 PolarHBondContact O-N 3.43Å; L158-A160 VanDerWaalsContact C-N 3.33Å; L158-A160 PolarHBondContact O-N 2.86Å; L158-S161 PolarHBondContact O-N 2.87Å; L158-I162 HydrophobicContact CD1-CD1 4.42Å; L158-I162 HydrophobicContact CG-CD1 4.06Å; L158-I162 WeakPolarHBondContact O-CG1 3.44Å; L158-I162 PolarHBondContact O-N 3.49Å
159A97.9Very high93.7Very high25 Ų2541.2 Ų41.221%0.20721%0.213CC..Hα-helixtrans-56.8-48.6177.300000111.1T142 P155 I156 S161 I162 T163T142-A159 HydrophobicContact CG2-CB 4.26Å; T142-A159 WeakPolarHBondContact OG1-CB 3.47Å; P155-A159 WeakPolarHBondContact O-CB 3.41Å; P155-A159 PolarHBondContact O-N 2.8Å; I156-A159 PolarHBondContact O-N 2.78Å; A159-S161 PolarHBondContact O-N 3.17Å; A159-I162 PolarHBondContact O-N 2.96Å; A159-T163 PolarHBondContact O-N 2.9Å; A159-T163 PolarHBondContact O-OG1 3.43Å; A159-T163 VanDerWaalsContact O-OG1 3.08Å
160A98.1Very high94.1Very high0 Ų041.7 Ų41.70%021%0.21CC..Hα-helixtrans-60.2-41.8176.900000112.9V119 T135 C139 I156 L158 T163 A164V119-A160 HydrophobicContact CB-CB 4.33Å; V119-A160 HydrophobicContact CG1-CB 4.13Å; V119-A160 HydrophobicContact CG2-CB 3.96Å; T135-A160 HydrophobicContact CG2-CB 4.01Å; C139-A160 WeakPolarHBondContact SG-CB 3.3Å; I156-A160 VanDerWaalsContact O-CB 3.24Å; I156-A160 WeakPolarHBondContact O-CB 3.46Å; I156-A160 PolarHBondContact O-N 3.28Å; L158-A160 VanDerWaalsContact C-N 3.33Å; L158-A160 PolarHBondContact O-N 2.86Å; A160-T163 PolarHBondContact O-N 3.3Å; A160-A164 VanDerWaalsContact O-CB 3.23Å; A160-A164 WeakPolarHBondContact O-CB 3.35Å; A160-A164 PolarHBondContact O-N 3.01Å
161S98.1Very high94.5Very high0 Ų043.3 Ų43.30%021%0.212CC..Hα-helixtrans-67.9-38.2179.1-59.70000112Q85 V86 S157 L158 A159 A164 A165Q85-S161 WeakPolarHBondContact CB-OG 3.36Å; V86-S161 WeakPolarHBondContact CG2-OG 3.33Å; V86-S161 PolarHBondContact N-OG 3.24Å; S157-S161 VanDerWaalsContact O-CB 3.25Å; S157-S161 WeakPolarHBondContact O-CB 3.28Å; S157-S161 PolarHBondContact O-N 2.92Å; S157-S161 PolarHBondContact O-OG 2.86Å; L158-S161 PolarHBondContact O-N 2.87Å; A159-S161 PolarHBondContact O-N 3.17Å; S161-A164 PolarHBondContact O-N 2.96Å; S161-A165 VanDerWaalsContact O-CB 3.28Å; S161-A165 WeakPolarHBondContact O-CB 3.28Å; S161-A165 PolarHBondContact O-N 2.84Å
162I97.9Very high94.3Very high73 Ų7344.8 Ų44.837%0.37423%0.227SC..Hα-helixtrans-62.6-50.3173.3-68.2166.2000109.8F82 L158 A159 A164 A165 Q166F82-I162 HydrophobicContact CE2-CG1 4.03Å; F82-I162 HydrophobicContact CZ-CG1 4.19Å; L158-I162 HydrophobicContact CD1-CD1 4.42Å; L158-I162 HydrophobicContact CG-CD1 4.06Å; L158-I162 WeakPolarHBondContact O-CG1 3.44Å; L158-I162 PolarHBondContact O-N 3.49Å; A159-I162 PolarHBondContact O-N 2.96Å; I162-A164 VanDerWaalsContact C-N 3.32Å; I162-A164 PolarHBondContact O-N 3.24Å; I162-A165 PolarHBondContact O-N 3.31Å; I162-A165 VanDerWaalsContact O-N 3.16Å; I162-Q166 WeakPolarHBondContact O-CG 3.25Å; I162-Q166 PolarHBondContact O-N 3.49Å
163T97.4Very high93.5Very high24 Ų2449.5 Ų49.515%0.14726%0.257CS..Hα-helixtrans-61.2-41.5178.7-56.80000111.8K134 A138 A159 A160 A165 Q166 H167K134-T163 HydrophobicContact CB-CG2 3.91Å; A138-T163 HydrophobicContact CB-CG2 4.26Å; A138-T163 WeakPolarHBondContact CB-OG1 3.36Å; A159-T163 PolarHBondContact O-N 2.9Å; A159-T163 PolarHBondContact O-OG1 3.43Å; A159-T163 VanDerWaalsContact O-OG1 3.08Å; A160-T163 PolarHBondContact O-N 3.3Å; T163-A165 VanDerWaalsContact C-N 3.35Å; T163-Q166 PolarHBondContact O-N 3.04Å; T163-H167 WeakPolarHBondContact O-CB 3.1Å; T163-H167 PolarHBondContact O-N 3.24Å; T163-H167 PolarHBondContact O-ND1 3.49Å
164A96.8Very high92.3Very high1 Ų157 Ų571%0.00829%0.29CS..Hα-helixtrans-64.8-37.6176.100000112.2V119 A130 T135 A160 S161 I162 H167 R168V119-A164 HydrophobicContact CG1-CB 4.1Å; A130-A164 HydrophobicContact CB-CB 3.83Å; T135-A164 HydrophobicContact CG2-CB 4.39Å; A160-A164 VanDerWaalsContact O-CB 3.23Å; A160-A164 WeakPolarHBondContact O-CB 3.35Å; A160-A164 PolarHBondContact O-N 3.01Å; S161-A164 PolarHBondContact O-N 2.96Å; I162-A164 VanDerWaalsContact C-N 3.32Å; I162-A164 PolarHBondContact O-N 3.24Å; A164-H167 CarbonylContact O-C 3.56Å; A164-H167 PolarHBondContact O-N 3.11Å; A164-R168 PolarHBondContact O-N 2.95Å
165A95.6Very high90.8Very high25 Ų2556 Ų5621%0.20729%0.294CS..Hα-helixtrans-69.5-35.1176.500000112.6F82 S161 I162 T163 R168F82-A165 HydrophobicContact CD2-CB 4.26Å; S161-A165 VanDerWaalsContact O-CB 3.28Å; S161-A165 WeakPolarHBondContact O-CB 3.28Å; S161-A165 PolarHBondContact O-N 2.84Å; I162-A165 PolarHBondContact O-N 3.31Å; I162-A165 VanDerWaalsContact O-N 3.16Å; T163-A165 VanDerWaalsContact C-N 3.35Å; A165-R168 WeakPolarHBondContact O-CD 3.47Å; A165-R168 WeakPolarHBondContact O-CG 3.19Å; A165-R168 PolarHBondContact O-NH1 3.45Å
166Q95.1Very high88.7Confident126 Ų12660.1 Ų60.159%0.58932%0.321SS*.Hα-helixtrans-70.9-36.5174.6-71.9173.1-23.800112.1I162 T163I162-Q166 WeakPolarHBondContact O-CG 3.25Å; I162-Q166 PolarHBondContact O-N 3.49Å; T163-Q166 PolarHBondContact O-N 3.04Å
167H94.6Very high86.8Confident62 Ų6263.8 Ų63.829%0.28736%0.359SS..THydrogen-bonded Turntrans-107.336.1-175.4-61.593.1000113.2A130 D131 K134 T163 A164A130-H167 WeakPolarHBondContact CA-O 3.11Å; D131-H167 HydrophobicContact CB-CB 3.85Å; D131-H167 PolarHBondContact N-O 2.93Å; D131-H167 VanDerWaalsContact N-O 3.07Å; K134-H167 HydrophobicContact CD-CB 4.37Å; K134-H167 WeakPolarHBondContact CD-CD2 3.46Å; K134-H167 WeakPolarHBondContact CD-NE2 3.49Å; K134-H167 PolarHBondContact NZ-CD2 3.21Å; K134-H167 PolarHBondContact NZ-NE2 3.46Å; T163-H167 WeakPolarHBondContact O-CB 3.1Å; T163-H167 PolarHBondContact O-N 3.24Å; T163-H167 PolarHBondContact O-ND1 3.49Å; A164-H167 CarbonylContact O-C 3.56Å; A164-H167 PolarHBondContact O-N 3.11Å
168R94.3Very high84.8Confident65 Ų6566.6 Ų66.625%0.24538%0.378CS..EExtended strand (participates in β ladder)trans-75.1141.6177.861.4-176.3-174-107.94.5111.4L74 P75 A164 A165L74-R168 HydrophobicContact CD1-CG 3.73Å; L74-R168 WeakPolarHBondContact CD1-O 3.44Å; L74-R168 HydrophobicContact CG-CG 3.99Å; P75-R168 HydrophobicContact CG-CB 3.89Å; P75-R168 HydrophobicContact CG-CG 3.76Å; P75-R168 PolarHBondContact O-NE 3.11Å; A164-R168 PolarHBondContact O-N 2.95Å; A165-R168 WeakPolarHBondContact O-CD 3.47Å; A165-R168 WeakPolarHBondContact O-CG 3.19Å; A165-R168 PolarHBondContact O-NH1 3.45Å
169R92.7Very high83Confident127 Ų12770.5 Ų70.548%0.47939%0.394SS..EExtended strand (participates in β ladder)trans-147.5158.5179.763.7-173.5178.5-176.5-1.6111.2Q128 T129Q128-R169 WeakPolarHBondContact CA-O 3.39Å; T129-R169 HydrophobicContact CG2-CG 3.48Å; T129-R169 VanDerWaalsContact CG2-CG 3.48Å; T129-R169 PolarHBondContact N-O 3.46Å; T129-R169 PolarHBondContact O-N 2.98Å
170F90.6Very high81.5Confident55 Ų5574.2 Ų74.224%0.24141%0.407CS..EExtended strand (participates in β ladder)trans-71.8148.7168.4-70.4-72.1000110.4K71 G73 P75 Q128K71-F170 HydrophobicContact CB-CD2 4.07Å; K71-F170 HydrophobicContact CB-CE2 4.12Å; K71-F170 HydrophobicContact CB-CG 4.34Å; K71-F170 HydrophobicContact CB-CZ 4.42Å; K71-F170 HydrophobicContact CD-CE1 4.29Å; K71-F170 HydrophobicContact CD-CZ 4.33Å; K71-F170 WeakPolarHBondContact O-CD2 3.49Å; G73-F170 WeakPolarHBondContact O-CD2 3.23Å; P75-F170 HydrophobicContact CB-CD1 4.41Å; P75-F170 HydrophobicContact CB-CE1 3.9Å; P75-F170 HydrophobicContact CB-CE2 4.03Å; P75-F170 HydrophobicContact CB-CZ 3.69Å; Q128-F170 HydrophobicContact CG-CD1 4.31Å; Q128-F170 HydrophobicContact CG-CE1 4.26Å
171K88.2Confident80.7Confident67 Ų6782.3 Ų82.329%0.29144%0.442SS..PPolyproline II helixtrans-66.5144172.2-72.5-179.8178.8172.90109.6N124 G126 Q127 Q128 T129N124-K171 WeakPolarHBondContact O-CE 3.33Å; N124-K171 PolarHBondContact O-NZ 2.64Å; G126-K171 WeakPolarHBondContact O-CE 3.43Å; G126-K171 PolarHBondContact O-NZ 3.27Å; Q127-K171 PolarHBondContact O-N 2.97Å; Q128-K171 WeakPolarHBondContact O-CE 3.32Å; T129-K171 HydrophobicContact CG2-CG 4.03Å
172P80.4Confident80.1Confident109 Ų10987.1 Ų87.171%0.70847%0.468SS*.PPolyproline II helixtrans-60.1145.9174.825.7-33.2000110.1
173P70.7Confident79.6Confident98 Ų9885.9 Ų85.964%0.63647%0.473SS*.PPolyproline II helixtrans-56.8143.4174.1-1323.1000110.1P70P70-P173 HydrophobicContact CB-CG 4.45Å; P70-P173 HydrophobicContact CG-CG 4.27Å
174K69.3Low79.2Confident158 Ų15887.9 Ų87.969%0.68749%0.486SS*.PPolyproline II helixtrans-69135170.4-69.1178.8-179.1172.70108.3
175A61Low78.9Confident63 Ų6389.5 Ų89.552%0.52149%0.492SS..PPolyproline II helixtrans-57.9139.4175.300000110.5G177 S178A175-G177 PolarHBondContact O-N 3.33Å; A175-S178 WeakPolarHBondContact O-CB 3.4Å; A175-S178 PolarHBondContact O-N 2.86Å
176P51.9Low78.6Confident110 Ų11092 Ų9271%0.71450%0.502SS*.THydrogen-bonded Turntrans-57.5136177.622.3-30.6000110S178P176-S178 VanDerWaalsContact C-N 3.28Å; P176-S178 PolarHBondContact O-N 3.48Å
177G55.5Low78.5Confident77 Ų7793.9 Ų93.979%0.79451%0.505SS*.THydrogen-bonded Turntrans78.7-6.5-175.100000116.5A175 Q179A175-G177 PolarHBondContact O-N 3.33Å; G177-Q179 PolarHBondContact O-N 2.97Å
178S56.9Low78.4Confident59 Ų5998.5 Ų98.541%0.41352%0.519SS..  trans-79.860.5176-171.40000112.1A175 P176 Q180A175-S178 WeakPolarHBondContact O-CB 3.4Å; A175-S178 PolarHBondContact O-N 2.86Å; P176-S178 VanDerWaalsContact C-N 3.28Å; P176-S178 PolarHBondContact O-N 3.48Å; S178-Q180 VanDerWaalsContact C-N 3.31Å; S178-Q180 PolarHBondContact O-N 2.96Å
179Q60.1Low78.3Confident156 Ų15696.1 Ų96.173%0.72951%0.511SS*.  trans-74.493.3160.9-80.1-170.59.100108.1G177 K181G177-Q179 PolarHBondContact O-N 2.97Å; Q179-K181 PolarHBondContact O-N 3.03Å; Q179-K181 VanDerWaalsContact O-N 3.11Å
180Q66.4Low78.2Confident103 Ų10391.7 Ų91.748%0.48151%0.505SS..  trans-53.7122169.6-75.6-175.9-0.100109S178 R185S178-Q180 VanDerWaalsContact C-N 3.31Å; S178-Q180 PolarHBondContact O-N 2.96Å; Q180-R185 HydrophobicContact CB-CG 4.14Å
181K81.8Confident78.4Confident170 Ų17093.7 Ų93.774%0.73952%0.518SS*.  trans-52.6147.1174.3-66-178.3-179.9-179.70109.3Q179 G183 P184Q179-K181 PolarHBondContact O-N 3.03Å; Q179-K181 VanDerWaalsContact O-N 3.11Å; K181-G183 VanDerWaalsContact C-N 3.27Å; K181-G183 PolarHBondContact O-N 2.96Å; K181-P184 HydrophobicContact CB-CG 4.39Å; K181-P184 WeakPolarHBondContact O-CD 3.15Å
182L84.6Confident78.7Confident102 Ų10292.3 Ų92.353%0.53452%0.519SS..Hα-helixtrans-59.9-39.1-178.1-175.964.5000111.9R185 L186L182-R185 WeakPolarHBondContact O-CB 3.17Å; L182-R185 PolarHBondContact O-N 3.31Å; L182-L186 HydrophobicContact CD1-CD1 4.27Å; L182-L186 HydrophobicContact CD1-CD2 4.44Å; L182-L186 HydrophobicContact CD1-CG 4.12Å; L182-L186 HydrophobicContact CD2-CD1 4.18Å; L182-L186 HydrophobicContact CG-CD1 3.77Å; L182-L186 HydrophobicContact CG-CG 4.06Å; L182-L186 WeakPolarHBondContact O-CG 3.37Å; L182-L186 PolarHBondContact O-N 3.35Å
183G88.1Confident79.3Confident46 Ų4692.3 Ų92.347%0.47451%0.505SS..Hα-helixtrans-53.5-59.5-178.300000114.2K181 R185 L186 Y187K181-G183 VanDerWaalsContact C-N 3.27Å; K181-G183 PolarHBondContact O-N 2.96Å; G183-R185 PolarHBondContact O-N 3Å; G183-L186 PolarHBondContact O-N 2.8Å; G183-L186 VanDerWaalsContact O-N 3.14Å; G183-Y187 PolarHBondContact O-N 3.16Å
184P88.8Confident80.3Confident66 Ų6692.3 Ų92.343%0.42950%0.499SS..Hα-helixtrans-56.4-34.3177.7-29.234.5000114.7K181 R188K181-P184 HydrophobicContact CB-CG 4.39Å; K181-P184 WeakPolarHBondContact O-CD 3.15Å; P184-R188 WeakPolarHBondContact O-CG 3.36Å; P184-R188 PolarHBondContact O-N 3.45Å; P184-R188 VanDerWaalsContact O-N 3.14Å
185R89.9Confident81.4Confident35 Ų3588.1 Ų88.113%0.13249%0.494CS..Hα-helixtrans-66.1-50.1175.9-69172.757-144.6-11.3110.7L23 D28 Q180 L182 G183 Y187 R188 I189L23-R185 PolarHBondContact O-NH2 2.82Å; D28-R185 IonicContact OD1-CZ 3.84Å; D28-R185 VanDerWaalsContact OD1-CZ 3.31Å; D28-R185 IonicContact OD1-NE 3.86Å; D28-R185 PolarHBondContact OD1-NE 3.09Å; D28-R185 IonicContact OD1-NH2 3.59Å; D28-R185 PolarHBondContact OD1-NH2 2.67Å; D28-R185 IonicContact OD2-CZ 2.79Å; D28-R185 IonicContact OD2-NE 2.89Å; D28-R185 PolarHBondContact OD2-NE 3.1Å; D28-R185 IonicContact OD2-NH2 2.81Å; Q180-R185 HydrophobicContact CB-CG 4.14Å; L182-R185 WeakPolarHBondContact O-CB 3.17Å; L182-R185 PolarHBondContact O-N 3.31Å; G183-R185 PolarHBondContact O-N 3Å; R185-Y187 VanDerWaalsContact C-N 3.32Å; R185-Y187 PolarHBondContact O-N 2.89Å; R185-R188 PolarHBondContact O-N 2.89Å; R185-I189 WeakPolarHBondContact O-CG1 3.31Å; R185-I189 PolarHBondContact O-N 3.3Å
186L90.8Very high82.8Confident79 Ų7986.4 Ų86.441%0.41448%0.475SS..Hα-helixtrans-62-39.4177.4-66.8179.5000111.9L23 L182 G183 I189 G190L23-L186 HydrophobicContact CD1-CD2 4.22Å; L182-L186 HydrophobicContact CD1-CD1 4.27Å; L182-L186 HydrophobicContact CD1-CD2 4.44Å; L182-L186 HydrophobicContact CD1-CG 4.12Å; L182-L186 HydrophobicContact CD2-CD1 4.18Å; L182-L186 HydrophobicContact CG-CD1 3.77Å; L182-L186 HydrophobicContact CG-CG 4.06Å; L182-L186 WeakPolarHBondContact O-CG 3.37Å; L182-L186 PolarHBondContact O-N 3.35Å; G183-L186 PolarHBondContact O-N 2.8Å; G183-L186 VanDerWaalsContact O-N 3.14Å; L186-I189 PolarHBondContact O-N 2.83Å; L186-G190 PolarHBondContact O-N 3.45Å
187Y91.8Very high84.6Confident165 Ų16582.5 Ų82.565%0.64745%0.45SS*.Hα-helixtrans-59.6-47.9176176.7-101.5000112.1G183 R185 I189 G190 L191G183-Y187 PolarHBondContact O-N 3.16Å; R185-Y187 VanDerWaalsContact C-N 3.32Å; R185-Y187 PolarHBondContact O-N 2.89Å; Y187-I189 PolarHBondContact O-N 3.43Å; Y187-G190 PolarHBondContact O-N 3.38Å; Y187-L191 WeakPolarHBondContact O-CB 3.31Å; Y187-L191 PolarHBondContact O-N 2.99Å
188R91.9Very high86.2Confident159 Ų15981.1 Ų81.160%0.643%0.431SS*.Hα-helixtrans-63.3-42.6178.1-71.6174.7-175.7179.10.2112.3P184 R185 L191 A192P184-R188 WeakPolarHBondContact O-CG 3.36Å; P184-R188 PolarHBondContact O-N 3.45Å; P184-R188 VanDerWaalsContact O-N 3.14Å; R185-R188 PolarHBondContact O-N 2.89Å; R188-L191 PolarHBondContact O-N 3.18Å; R188-A192 WeakPolarHBondContact O-CB 3.44Å; R188-A192 PolarHBondContact O-N 2.89Å
189I92.4Very high87.6Confident14 Ų1479.7 Ų79.77%0.07242%0.42CS..Hα-helixtrans-66-43.5177.6-66.2172.9000110.2L23 D28 L32 M35 R185 L186 Y187 L191 A192 W193L23-I189 HydrophobicContact CD2-CD1 3.26Å; D28-I189 HydrophobicContact CB-CD1 3.76Å; D28-I189 HydrophobicContact CB-CG1 4.31Å; L32-I189 HydrophobicContact CD1-CG2 4.24Å; M35-I189 HydrophobicContact SD-CG2 3.77Å; R185-I189 WeakPolarHBondContact O-CG1 3.31Å; R185-I189 PolarHBondContact O-N 3.3Å; L186-I189 PolarHBondContact O-N 2.83Å; Y187-I189 PolarHBondContact O-N 3.43Å; I189-L191 PolarHBondContact O-N 2.86Å; I189-A192 PolarHBondContact O-N 3.3Å; I189-W193 VanDerWaalsContact O-CB 3.31Å; I189-W193 WeakPolarHBondContact O-CB 3.23Å; I189-W193 PolarHBondContact O-N 3.39Å
190G92.3Very high88.7Confident34 Ų3474.6 Ų74.635%0.35140%0.398SS..Hα-helixtrans-60.6-44.2176.600000112.1L186 Y187 W193 L194L186-G190 PolarHBondContact O-N 3.45Å; Y187-G190 PolarHBondContact O-N 3.38Å; G190-W193 PolarHBondContact O-N 3.24Å; G190-L194 VanDerWaalsContact O-CB 3.31Å; G190-L194 WeakPolarHBondContact O-CB 3.46Å; G190-L194 PolarHBondContact O-N 2.97Å
191L93.8Very high89.4Confident98 Ų9870.9 Ų70.951%0.51339%0.387SS..Hα-helixtrans-62.7-44.3175.8-175.165000111.8Y187 R188 I189 L194 A195Y187-L191 WeakPolarHBondContact O-CB 3.31Å; Y187-L191 PolarHBondContact O-N 2.99Å; R188-L191 PolarHBondContact O-N 3.18Å; I189-L191 PolarHBondContact O-N 2.86Å; L191-L194 PolarHBondContact O-N 3.46Å; L191-A195 VanDerWaalsContact O-CB 3.28Å; L191-A195 WeakPolarHBondContact O-CB 3.46Å; L191-A195 PolarHBondContact O-N 3.38Å
192A93.6Very high89.4Confident37 Ų3769.8 Ų69.831%0.30638%0.38SS..Hα-helixtrans-66.1-39.7177.600000112.3L32 R188 I189 F196L32-A192 HydrophobicContact CD1-CB 4.01Å; L32-A192 HydrophobicContact CD2-CB 3.63Å; R188-A192 WeakPolarHBondContact O-CB 3.44Å; R188-A192 PolarHBondContact O-N 2.89Å; I189-A192 PolarHBondContact O-N 3.3Å; A192-F196 PolarHBondContact O-N 3.47Å
193W93.2Very high89Confident110 Ų11065.4 Ų65.442%0.41736%0.357SS..Hα-helixtrans-63.5-47.5175.7-178.882.6000111.1L32 M35 L36 I189 G190 F196 S197L32-W193 HydrophobicContact CD1-CB 4.3Å; M35-W193 HydrophobicContact CE-CB 4.32Å; M35-W193 HydrophobicContact CE-CG 3.94Å; L36-W193 HydrophobicContact CD2-CG 4.48Å; I189-W193 VanDerWaalsContact O-CB 3.31Å; I189-W193 WeakPolarHBondContact O-CB 3.23Å; I189-W193 PolarHBondContact O-N 3.39Å; G190-W193 PolarHBondContact O-N 3.24Å; W193-F196 PolarHBondContact O-N 2.89Å; W193-S197 WeakPolarHBondContact O-CB 3.39Å; W193-S197 PolarHBondContact O-N 3.48Å; W193-S197 PolarHBondContact O-OG 2.92Å
194L92.8Very high88.4Confident97 Ų9769.3 Ų69.351%0.50836%0.362SS..Hα-helixtrans-62.7-43.7178-175.167.6000111.8G190 L191 F196 S197 A198G190-L194 VanDerWaalsContact O-CB 3.31Å; G190-L194 WeakPolarHBondContact O-CB 3.46Å; G190-L194 PolarHBondContact O-N 2.97Å; L191-L194 PolarHBondContact O-N 3.46Å; L194-F196 PolarHBondContact O-N 3Å; L194-S197 PolarHBondContact O-N 3.39Å; L194-A198 HydrophobicContact CD1-CB 4.31Å; L194-A198 WeakPolarHBondContact O-CB 3.38Å; L194-A198 PolarHBondContact O-N 3.27Å
195A91.7Very high87.6Confident71 Ų7173.5 Ų73.559%0.58737%0.373SS*.Hα-helixtrans-59.6-33.4177.500000112.5L191 P199L191-A195 VanDerWaalsContact O-CB 3.28Å; L191-A195 WeakPolarHBondContact O-CB 3.46Å; L191-A195 PolarHBondContact O-N 3.38Å; A195-P199 WeakPolarHBondContact O-CD 3.38Å
196F91.2Very high86.5Confident26 Ų2680.5 Ų80.511%0.11440%0.401CS..Hα-helixtrans-80.6-43.7176.5-173.5-85.9000112.9L36 Y91 F92 V95 A192 W193 L194 L200L36-F196 HydrophobicContact CB-CE1 4.46Å; L36-F196 HydrophobicContact CD1-CB 4.25Å; L36-F196 HydrophobicContact CD1-CD2 4.15Å; L36-F196 HydrophobicContact CD1-CG 4.08Å; L36-F196 HydrophobicContact CD2-CB 3.73Å; L36-F196 HydrophobicContact CD2-CD1 3.55Å; L36-F196 HydrophobicContact CD2-CE1 4.24Å; L36-F196 HydrophobicContact CD2-CG 3.67Å; L36-F196 HydrophobicContact CG-CD1 4.42Å; L36-F196 HydrophobicContact CG-CG 4.38Å; Y91-F196 HydrophobicContact CD1-CZ 4.39Å; Y91-F196 HydrophobicContact CE1-CE1 4.25Å; Y91-F196 HydrophobicContact CE1-CE2 4.49Å; Y91-F196 AromaticContact CE1-CZ 3.58Å; Y91-F196 HydrophobicContact CE1-CZ 3.58Å; Y91-F196 AromaticContact CZ-CZ 3.83Å; F92-F196 HydrophobicContact CD1-CD2 4.03Å; F92-F196 AromaticContact CD1-CE2 3.69Å; F92-F196 HydrophobicContact CD1-CE2 3.69Å; F92-F196 AromaticContact CD2-CE2 3.63Å; F92-F196 HydrophobicContact CD2-CE2 3.63Å; F92-F196 HydrophobicContact CD2-CZ 4.19Å; F92-F196 AromaticContact CE1-CD2 3.69Å; F92-F196 HydrophobicContact CE1-CD2 3.69Å; F92-F196 AromaticContact CE1-CE2 3.64Å; F92-F196 HydrophobicContact CE1-CE2 3.64Å; F92-F196 HydrophobicContact CE2-CD2 4.29Å; F92-F196 AromaticContact CE2-CE2 3.57Å; F92-F196 HydrophobicContact CE2-CE2 3.57Å; F92-F196 HydrophobicContact CE2-CZ 4.09Å; F92-F196 HydrophobicContact CG-CD2 4.49Å; F92-F196 AromaticContact CG-CE2 3.7Å; F92-F196 HydrophobicContact CG-CE2 3.7Å; F92-F196 AromaticContact CZ-CD2 3.83Å; F92-F196 HydrophobicContact CZ-CD2 3.83Å; F92-F196 AromaticContact CZ-CE2 3.58Å; F92-F196 HydrophobicContact CZ-CE2 3.58Å; F92-F196 HydrophobicContact CZ-CZ 4.42Å; V95-F196 HydrophobicContact CB-CE2 4.37Å; V95-F196 HydrophobicContact CB-CZ 4.02Å; V95-F196 HydrophobicContact CG1-CE1 4.1Å; V95-F196 HydrophobicContact CG1-CE2 3.97Å; V95-F196 HydrophobicContact CG1-CZ 3.74Å; V95-F196 HydrophobicContact CG2-CE1 4.32Å; V95-F196 HydrophobicContact CG2-CZ 3.81Å; A192-F196 PolarHBondContact O-N 3.47Å; W193-F196 PolarHBondContact O-N 2.89Å; L194-F196 PolarHBondContact O-N 3Å; F196-L200 HydrophobicContact CD1-CD1 4.39Å; F196-L200 HydrophobicContact CE1-CD1 4Å
197S88.7Confident85.4Confident28 Ų2880.6 Ų80.620%0.19640%0.402CS..Hα-helixtrans-85.8-26.8-170.963.40000114W193 L194 L200 G201W193-S197 WeakPolarHBondContact O-CB 3.39Å; W193-S197 PolarHBondContact O-N 3.48Å; W193-S197 PolarHBondContact O-OG 2.92Å; L194-S197 PolarHBondContact O-N 3.39Å; S197-L200 PolarHBondContact O-N 2.99Å; S197-G201 PolarHBondContact O-N 3.49Å
198A89.1Confident84Confident49 Ų4976 Ų7641%0.40539%0.391SS..Hα-helixtrans-62.6-44.7-177.700000113.7L194 L200 G201 Y202L194-A198 HydrophobicContact CD1-CB 4.31Å; L194-A198 WeakPolarHBondContact O-CB 3.38Å; L194-A198 PolarHBondContact O-N 3.27Å; A198-L200 VanDerWaalsContact C-N 3.3Å; A198-L200 PolarHBondContact O-N 3.47Å; A198-G201 PolarHBondContact O-N 2.79Å; A198-Y202 PolarHBondContact O-N 3.01Å
199P86.6Confident82.5Confident28 Ų2872.8 Ų72.818%0.18239%0.389CS..Hα-helixtrans-60.7-40.3175.8-23.834.9000112.6L100 A195 Y202 C203L100-P199 HydrophobicContact CD2-CB 3.68Å; L100-P199 HydrophobicContact CD2-CG 3.75Å; L100-P199 HydrophobicContact CG-CB 4.07Å; L100-P199 HydrophobicContact CG-CG 4.31Å; A195-P199 WeakPolarHBondContact O-CD 3.38Å; P199-Y202 PolarHBondContact O-N 3.34Å; P199-C203 PolarHBondContact O-N 2.73Å
200L83.6Confident81Confident49 Ų4973.3 Ų73.326%0.25740%0.396SS..Hα-helixtrans-65.6-44176.3-71.1176000112.1V95 I98 F196 S197 A198 Y202 C203 F204V95-L200 HydrophobicContact CB-CD1 4.46Å; V95-L200 HydrophobicContact CB-CD2 4.42Å; V95-L200 HydrophobicContact CG1-CD1 3.65Å; V95-L200 HydrophobicContact CG1-CD2 3.85Å; V95-L200 HydrophobicContact CG1-CG 3.74Å; V95-L200 HydrophobicContact CG2-CD1 4.03Å; V95-L200 HydrophobicContact CG2-CD2 4.35Å; I98-L200 HydrophobicContact CG2-CD2 4.26Å; F196-L200 HydrophobicContact CD1-CD1 4.39Å; F196-L200 HydrophobicContact CE1-CD1 4Å; S197-L200 PolarHBondContact O-N 2.99Å; A198-L200 VanDerWaalsContact C-N 3.3Å; A198-L200 PolarHBondContact O-N 3.47Å; L200-Y202 VanDerWaalsContact C-N 3.35Å; L200-C203 PolarHBondContact O-N 3.23Å; L200-F204 WeakPolarHBondContact O-CB 3.45Å; L200-F204 PolarHBondContact O-N 3.07Å
201G81.4Confident79.6Confident25 Ų2572.8 Ų72.826%0.25839%0.386SS..Hα-helixtrans-59.7-46.1176.200000111.5S197 A198 C203 F204 F205S197-G201 PolarHBondContact O-N 3.49Å; A198-G201 PolarHBondContact O-N 2.79Å; G201-C203 PolarHBondContact O-N 3.07Å; G201-F204 PolarHBondContact O-N 2.86Å; G201-F205 WeakPolarHBondContact O-CD2 3.33Å; G201-F205 PolarHBondContact O-N 3.25Å
202Y81.8Confident78.1Confident148 Ų14872.6 Ų72.658%0.5839%0.385SS*.Hα-helixtrans-58.1-48.9175.5179.5-98.4000111.9A198 P199 L200 F204 F205 Y206A198-Y202 PolarHBondContact O-N 3.01Å; P199-Y202 PolarHBondContact O-N 3.34Å; L200-Y202 VanDerWaalsContact C-N 3.35Å; Y202-F204 PolarHBondContact O-N 3.07Å; Y202-F205 PolarHBondContact O-N 3.49Å; Y202-Y206 AromaticContact CD2-CD2 3.95Å; Y202-Y206 HydrophobicContact CD2-CD2 3.95Å; Y202-Y206 HydrophobicContact CD2-CG 4.42Å; Y202-Y206 HydrophobicContact CE2-CD2 4.14Å; Y202-Y206 HydrophobicContact CE2-CG 4.21Å; Y202-Y206 WeakPolarHBondContact O-CB 3.49Å; Y202-Y206 PolarHBondContact O-N 2.89Å
203C75.5Confident76.7Confident10 Ų1077 Ų777%0.06839%0.394CS..Hα-helixtrans-61.5-42.6178.2-78.40000112.6I98 P199 L200 G201 N207 T208 T211I98-C203 PolarHBondContact O-SG 3.45Å; P199-C203 PolarHBondContact O-N 2.73Å; L200-C203 PolarHBondContact O-N 3.23Å; G201-C203 PolarHBondContact O-N 3.07Å; C203-N207 CarbonylContact O-C 3.37Å; C203-N207 WeakPolarHBondContact O-CA 3.29Å; C203-N207 PolarHBondContact O-N 2.95Å; C203-T208 PolarHBondContact O-N 3.08Å; C203-T211 WeakPolarHBondContact CB-OG1 3.39Å; C203-T211 PolarHBondContact O-OG1 3.24Å; C203-T211 VanDerWaalsContact O-OG1 3.06Å
204F74.9Confident75.3Confident128 Ų12875.9 Ų75.956%0.56139%0.391SS*.Hα-helixtrans-61.7-46.7179.4-176.5-97.8000112.5L200 G201 Y202 T208L200-F204 WeakPolarHBondContact O-CB 3.45Å; L200-F204 PolarHBondContact O-N 3.07Å; G201-F204 PolarHBondContact O-N 2.86Å; Y202-F204 PolarHBondContact O-N 3.07Å; F204-T208 PolarHBondContact O-OG1 2.67Å
205F73.4Confident74Confident153 Ų15375.2 Ų75.267%0.67139%0.387SS*.Hα-helixtrans-84.2-31.8-174.5-71.9-67.5000114.4G201 Y202G201-F205 WeakPolarHBondContact O-CD2 3.33Å; G201-F205 PolarHBondContact O-N 3.25Å; Y202-F205 PolarHBondContact O-N 3.49Å
206Y65.9Low72.7Confident183 Ų18372.9 Ų72.972%0.71837%0.367SS*.Hα-helixtrans-114.6-16.6-171.7-70.1-85000114.5Y202Y202-Y206 AromaticContact CD2-CD2 3.95Å; Y202-Y206 HydrophobicContact CD2-CD2 3.95Å; Y202-Y206 HydrophobicContact CD2-CG 4.42Å; Y202-Y206 HydrophobicContact CE2-CD2 4.14Å; Y202-Y206 HydrophobicContact CE2-CG 4.21Å; Y202-Y206 WeakPolarHBondContact O-CB 3.49Å; Y202-Y206 PolarHBondContact O-N 2.89Å
207N67.6Low71.3Confident80 Ų8073.2 Ų73.243%0.42837%0.37SS..  trans-13846.2-178.1-153.8-2.4000111.8C203 T209 A210 T211C203-N207 CarbonylContact O-C 3.37Å; C203-N207 WeakPolarHBondContact O-CA 3.29Å; C203-N207 PolarHBondContact O-N 2.95Å; N207-T209 PolarHBondContact O-N 3.47Å; N207-A210 PolarHBondContact O-N 3.14Å; N207-A210 WeakPolarHBondContact OD1-CB 3.46Å; N207-T211 WeakPolarHBondContact O-CB 3.07Å; N207-T211 PolarHBondContact O-N 2.9Å; N207-T211 PolarHBondContact O-OG1 2.91Å
208T63.6Low70.1Confident68 Ų6872.7 Ų72.742%0.41737%0.366SS..Hα-helixtrans-57.3-37.6-171.8-40.40000112C203 F204 T211 L212C203-T208 PolarHBondContact O-N 3.08Å; F204-T208 PolarHBondContact O-OG1 2.67Å; T208-T211 WeakPolarHBondContact O-CB 3.33Å; T208-T211 PolarHBondContact O-N 3.17Å; T208-L212 PolarHBondContact O-N 3.43Å
209T59.1Low69Low92 Ų9272.8 Ų72.856%0.56436%0.359SS*.Hα-helixtrans-68.6-47179.8-35.40000112.2N207 T211 L212 Y213N207-T209 PolarHBondContact O-N 3.47Å; T209-T211 VanDerWaalsContact C-N 3.31Å; T209-T211 PolarHBondContact O-N 3.11Å; T209-L212 WeakPolarHBondContact O-CB 3.08Å; T209-L212 PolarHBondContact O-N 3.22Å; T209-Y213 HydrophobicContact CG2-CD2 4.16Å; T209-Y213 HydrophobicContact CG2-CE2 3.56Å; T209-Y213 WeakPolarHBondContact O-CD2 3.27Å; T209-Y213 PolarHBondContact O-N 3.16Å
210A61.1Low68Low25 Ų2572 Ų7221%0.20736%0.355CS..Hα-helixtrans-64.6-38.4176.200000111.5N207 L212 Y213 Y214N207-A210 PolarHBondContact O-N 3.14Å; N207-A210 WeakPolarHBondContact OD1-CB 3.46Å; A210-L212 VanDerWaalsContact C-N 3.32Å; A210-L212 PolarHBondContact O-N 3.48Å; A210-Y213 PolarHBondContact O-N 2.85Å; A210-Y214 HydrophobicContact CB-CE2 4.43Å; A210-Y214 WeakPolarHBondContact O-CD2 3.09Å; A210-Y214 PolarHBondContact O-N 3.4Å
211T62Low67.2Low24 Ų2470.4 Ų70.415%0.14735%0.349CS..Hα-helixtrans-59-44.5174.3-540000111.2I98 C203 N207 T208 T209 L215I98-T211 HydrophobicContact CG2-CG2 3.83Å; C203-T211 WeakPolarHBondContact CB-OG1 3.39Å; C203-T211 PolarHBondContact O-OG1 3.24Å; C203-T211 VanDerWaalsContact O-OG1 3.06Å; N207-T211 WeakPolarHBondContact O-CB 3.07Å; N207-T211 PolarHBondContact O-N 2.9Å; N207-T211 PolarHBondContact O-OG1 2.91Å; T208-T211 WeakPolarHBondContact O-CB 3.33Å; T208-T211 PolarHBondContact O-N 3.17Å; T209-T211 VanDerWaalsContact C-N 3.31Å; T209-T211 PolarHBondContact O-N 3.11Å; T211-L215 VanDerWaalsContact O-CB 3.22Å; T211-L215 WeakPolarHBondContact O-CB 3.27Å; T211-L215 PolarHBondContact O-N 2.72Å
212L64.1Low66.4Low93 Ų9372.6 Ų72.649%0.48735%0.354SS..Hα-helixtrans-61.9-42.6176.2-127.388.3000111.7T208 T209 A210 L215 S216T208-L212 PolarHBondContact O-N 3.43Å; T209-L212 WeakPolarHBondContact O-CB 3.08Å; T209-L212 PolarHBondContact O-N 3.22Å; A210-L212 VanDerWaalsContact C-N 3.32Å; A210-L212 PolarHBondContact O-N 3.48Å; L212-L215 PolarHBondContact O-N 3Å; L212-S216 VanDerWaalsContact O-CB 3.28Å; L212-S216 WeakPolarHBondContact O-CB 3.4Å; L212-S216 PolarHBondContact O-N 3.44Å
213Y63.9Low65.7Low130 Ų13066 Ų6651%0.5133%0.329SS..Hα-helixtrans-64.9-47.6178.3-73.6-58.6000112.4T209 A210 L215 S216 D217 L267T209-Y213 HydrophobicContact CG2-CD2 4.16Å; T209-Y213 HydrophobicContact CG2-CE2 3.56Å; T209-Y213 WeakPolarHBondContact O-CD2 3.27Å; T209-Y213 PolarHBondContact O-N 3.16Å; A210-Y213 PolarHBondContact O-N 2.85Å; Y213-L215 VanDerWaalsContact C-N 3.33Å; Y213-L215 PolarHBondContact O-N 2.82Å; Y213-S216 PolarHBondContact O-N 3.36Å; Y213-D217 WeakPolarHBondContact O-CB 3.47Å; Y213-D217 PolarHBondContact O-N 2.83Å; Y213-L267 HydrophobicContact CD1-CD2 4.04Å; Y213-L267 HydrophobicContact CE1-CD2 3.99Å
214Y63.5Low65.2Low86 Ų8669 Ų6934%0.33734%0.344SS..Hα-helixtrans-63.5-40.7177.1-75.6-64.6000112N101 A210 S216 D217 S218N101-Y214 PolarHBondContact ND2-OH 2.78Å; A210-Y214 HydrophobicContact CB-CE2 4.43Å; A210-Y214 WeakPolarHBondContact O-CD2 3.09Å; A210-Y214 PolarHBondContact O-N 3.4Å; Y214-S216 VanDerWaalsContact C-N 3.33Å; Y214-D217 PolarHBondContact O-N 3.45Å; Y214-S218 WeakPolarHBondContact O-CB 3.16Å; Y214-S218 PolarHBondContact O-N 3.3Å; Y214-S218 PolarHBondContact O-OG 3.37Å
215L65Low64.9Low83 Ų8366 Ų6644%0.43533%0.333SS..Hα-helixtrans-62.5-43175.5-17762.9000111.1T211 L212 Y213 S218 I219T211-L215 VanDerWaalsContact O-CB 3.22Å; T211-L215 WeakPolarHBondContact O-CB 3.27Å; T211-L215 PolarHBondContact O-N 2.72Å; L212-L215 PolarHBondContact O-N 3Å; Y213-L215 VanDerWaalsContact C-N 3.33Å; Y213-L215 PolarHBondContact O-N 2.82Å; L215-S218 WeakPolarHBondContact O-CB 3.3Å; L215-I219 HydrophobicContact CD1-CD1 4.07Å; L215-I219 HydrophobicContact CD1-CG1 4.5Å; L215-I219 HydrophobicContact CG-CD1 3.93Å; L215-I219 WeakPolarHBondContact O-CB 3.48Å; L215-I219 WeakPolarHBondContact O-CD1 3.36Å; L215-I219 WeakPolarHBondContact O-CG1 3.21Å; L215-I219 PolarHBondContact O-N 3.38Å
216S64.3Low64.7Low23 Ų2361 Ų6116%0.16131%0.311CS..Hα-helixtrans-63.7-47.2175.8-176.90000112.1L212 Y213 Y214 S218 I219 A220L212-S216 VanDerWaalsContact O-CB 3.28Å; L212-S216 WeakPolarHBondContact O-CB 3.4Å; L212-S216 PolarHBondContact O-N 3.44Å; Y213-S216 PolarHBondContact O-N 3.36Å; Y214-S216 VanDerWaalsContact C-N 3.33Å; S216-S218 VanDerWaalsContact C-N 3.29Å; S216-S218 PolarHBondContact O-N 3.15Å; S216-I219 PolarHBondContact O-N 2.86Å; S216-A220 VanDerWaalsContact O-CB 3.31Å; S216-A220 WeakPolarHBondContact O-CB 3.31Å; S216-A220 PolarHBondContact O-N 3.27Å
217D63Low64.7Low33 Ų3361.6 Ų61.618%0.17631%0.312CS..Hα-helixtrans-61-41.7179.4-166.757.8000111.1S150 Y213 Y214 A220 A221 Y271S150-D217 PolarHBondContact OG-OD2 2.82Å; Y213-D217 WeakPolarHBondContact O-CB 3.47Å; Y213-D217 PolarHBondContact O-N 2.83Å; Y214-D217 PolarHBondContact O-N 3.45Å; D217-A220 PolarHBondContact O-N 2.94Å; D217-A221 VanDerWaalsContact O-CB 3.26Å; D217-A221 WeakPolarHBondContact O-CB 3.27Å; D217-A221 PolarHBondContact O-N 2.82Å; D217-Y271 WeakPolarHBondContact OD1-CD2 3.3Å; D217-Y271 WeakPolarHBondContact OD1-CE2 3.37Å
218S63.5Low64.9Low16 Ų1663.7 Ų63.711%0.11232%0.318CS..Hα-helixtrans-62.6-45.9175-640000112.8M94 Y214 L215 S216 L222M94-S218 WeakPolarHBondContact CE-OG 3.45Å; Y214-S218 WeakPolarHBondContact O-CB 3.16Å; Y214-S218 PolarHBondContact O-N 3.3Å; Y214-S218 PolarHBondContact O-OG 3.37Å; L215-S218 WeakPolarHBondContact O-CB 3.3Å; S216-S218 VanDerWaalsContact C-N 3.29Å; S216-S218 PolarHBondContact O-N 3.15Å; S218-L222 VanDerWaalsContact O-CB 3.25Å; S218-L222 WeakPolarHBondContact O-CB 3.35Å; S218-L222 PolarHBondContact O-N 3.25Å
219I65.9Low65.5Low51 Ų5163.1 Ų63.126%0.26231%0.312SS..Hα-helixtrans-66.7-44.4178.3-72167.2000109.9L215 S216 L222 L223 L240L215-I219 HydrophobicContact CD1-CD1 4.07Å; L215-I219 HydrophobicContact CD1-CG1 4.5Å; L215-I219 HydrophobicContact CG-CD1 3.93Å; L215-I219 WeakPolarHBondContact O-CB 3.48Å; L215-I219 WeakPolarHBondContact O-CD1 3.36Å; L215-I219 WeakPolarHBondContact O-CG1 3.21Å; L215-I219 PolarHBondContact O-N 3.38Å; S216-I219 PolarHBondContact O-N 2.86Å; I219-L222 PolarHBondContact O-N 3.47Å; I219-L223 HydrophobicContact CG2-CD1 3.8Å; I219-L223 HydrophobicContact CG2-CG 4.28Å; I219-L223 WeakPolarHBondContact O-CB 3.49Å; I219-L223 VanDerWaalsContact O-CG 3.27Å; I219-L223 WeakPolarHBondContact O-CG 3.45Å; I219-L223 PolarHBondContact O-N 2.92Å; I219-L240 HydrophobicContact CD1-CD2 4.29Å; I219-L240 HydrophobicContact CG1-CD2 4.38Å; I219-L240 HydrophobicContact CG2-CD1 3.81Å
220A65.4Low66.1Low12 Ų1262.8 Ų62.810%0.09931%0.312CS..Hα-helixtrans-60.2-5117800000111S216 D217 L222 L223 D224 L268S216-A220 VanDerWaalsContact O-CB 3.31Å; S216-A220 WeakPolarHBondContact O-CB 3.31Å; S216-A220 PolarHBondContact O-N 3.27Å; D217-A220 PolarHBondContact O-N 2.94Å; A220-L222 VanDerWaalsContact C-N 3.28Å; A220-L222 PolarHBondContact O-N 3.3Å; A220-L223 PolarHBondContact O-N 2.87Å; A220-L223 VanDerWaalsContact O-N 3.15Å; A220-D224 WeakPolarHBondContact O-CB 3.26Å; A220-D224 PolarHBondContact O-N 3.45Å; A220-L268 HydrophobicContact CB-CD2 4.04Å
221A65.6Low66.7Low15 Ų1569.6 Ų69.612%0.12433%0.332CS..Hα-helixtrans-59.5-38.7177.100000112.2L151 D217 D224 I225L151-A221 HydrophobicContact CD2-CB 3.87Å; D217-A221 VanDerWaalsContact O-CB 3.26Å; D217-A221 WeakPolarHBondContact O-CB 3.27Å; D217-A221 PolarHBondContact O-N 2.82Å; A221-D224 PolarHBondContact O-N 3.01Å; A221-I225 WeakPolarHBondContact O-CG1 3.25Å; A221-I225 PolarHBondContact O-N 3.24Å; A221-I225 VanDerWaalsContact O-N 3.07Å
222L65.9Low67Low72 Ų7270.8 Ų70.838%0.37734%0.337SS..Hα-helixtrans-69.2-39177-171.8151000112.3S218 I219 A220 I225 F226 L236S218-L222 VanDerWaalsContact O-CB 3.25Å; S218-L222 WeakPolarHBondContact O-CB 3.35Å; S218-L222 PolarHBondContact O-N 3.25Å; I219-L222 PolarHBondContact O-N 3.47Å; A220-L222 VanDerWaalsContact C-N 3.28Å; A220-L222 PolarHBondContact O-N 3.3Å; L222-I225 WeakPolarHBondContact O-CB 2.88Å; L222-I225 PolarHBondContact O-N 3.43Å; L222-F226 HydrophobicContact CD2-CE2 4.1Å; L222-F226 WeakPolarHBondContact O-CD2 3.31Å; L222-L236 HydrophobicContact CD2-CD1 4.2Å; L222-L236 HydrophobicContact CD2-CD2 3.18Å; L222-L236 HydrophobicContact CD2-CG 4.32Å
223L65.9Low67.3Low10 Ų1070 Ų705%0.05233%0.328CS..Hα-helixtrans-68.7-37.2174.7-70.9173.4000111.8I219 A220 I225 F226 R233 L236 E237 L240I219-L223 HydrophobicContact CG2-CD1 3.8Å; I219-L223 HydrophobicContact CG2-CG 4.28Å; I219-L223 WeakPolarHBondContact O-CB 3.49Å; I219-L223 VanDerWaalsContact O-CG 3.27Å; I219-L223 WeakPolarHBondContact O-CG 3.45Å; I219-L223 PolarHBondContact O-N 2.92Å; A220-L223 PolarHBondContact O-N 2.87Å; A220-L223 VanDerWaalsContact O-N 3.15Å; L223-I225 VanDerWaalsContact C-N 3.32Å; L223-I225 PolarHBondContact O-N 3.44Å; L223-F226 CarbonylContact O-C 3.37Å; L223-F226 WeakPolarHBondContact O-CA 3.07Å; L223-F226 PolarHBondContact O-N 2.82Å; L223-R233 HydrophobicContact CB-CG 4.43Å; L223-R233 HydrophobicContact CD2-CG 4Å; L223-L236 HydrophobicContact CD2-CB 4.3Å; L223-L236 HydrophobicContact CD2-CD2 3.6Å; L223-L236 HydrophobicContact CG-CD2 4.47Å; L223-E237 HydrophobicContact CD1-CG 3.79Å; L223-E237 HydrophobicContact CD2-CG 3.64Å; L223-E237 HydrophobicContact CG-CG 4.39Å; L223-L240 HydrophobicContact CD2-CD1 4.49Å
224D66.2Low67.6Low71 Ų7167.2 Ų67.238%0.3833%0.327SS..Hα-helixtrans-68.2-28.9176.9-79.8-13.5000112.2A220 A221 F226 W227A220-D224 WeakPolarHBondContact O-CB 3.26Å; A220-D224 PolarHBondContact O-N 3.45Å; A221-D224 PolarHBondContact O-N 3.01Å; D224-F226 PolarHBondContact O-N 3.15Å; D224-F226 VanDerWaalsContact O-N 3.13Å; D224-W227 VanDerWaalsContact O-CB 3.25Å; D224-W227 WeakPolarHBondContact O-CB 3.32Å; D224-W227 PolarHBondContact O-N 2.88Å
225I68.2Low68Low66 Ų6666 Ų6634%0.33833%0.329SS..Hα-helixtrans-54.5-33168.1-72.4167.1000110.9L151 A221 L222 L223 W227 F228L151-I225 HydrophobicContact CD2-CD1 3.91Å; L151-I225 HydrophobicContact CD2-CG1 4.47Å; A221-I225 WeakPolarHBondContact O-CG1 3.25Å; A221-I225 PolarHBondContact O-N 3.24Å; A221-I225 VanDerWaalsContact O-N 3.07Å; L222-I225 WeakPolarHBondContact O-CB 2.88Å; L222-I225 PolarHBondContact O-N 3.43Å; L223-I225 VanDerWaalsContact C-N 3.32Å; L223-I225 PolarHBondContact O-N 3.44Å; I225-W227 VanDerWaalsContact C-N 3.34Å; I225-F228 WeakPolarHBondContact O-CD1 3.36Å; I225-F228 WeakPolarHBondContact O-CE1 3.44Å
226F67.8Low68.1Low47 Ų4764.4 Ų64.421%0.20632%0.32CS..THydrogen-bonded Turntrans-93.219.8178.8-60.4-69.2000113.7L222 L223 D224 F228 L229 L232 R233 L236L222-F226 HydrophobicContact CD2-CE2 4.1Å; L222-F226 WeakPolarHBondContact O-CD2 3.31Å; L223-F226 CarbonylContact O-C 3.37Å; L223-F226 WeakPolarHBondContact O-CA 3.07Å; L223-F226 PolarHBondContact O-N 2.82Å; D224-F226 PolarHBondContact O-N 3.15Å; D224-F226 VanDerWaalsContact O-N 3.13Å; F226-F228 PolarHBondContact O-N 3.29Å; F226-F228 VanDerWaalsContact O-N 3.08Å; F226-L229 CarbonylContact O-C 3.58Å; F226-L229 PolarHBondContact O-N 3.49Å; F226-L232 HydrophobicContact CD1-CD2 3.45Å; F226-L232 VanDerWaalsContact CD1-CD2 3.45Å; F226-L232 HydrophobicContact CD1-CG 4.03Å; F226-L232 HydrophobicContact CE1-CD2 3.34Å; F226-L232 HydrophobicContact CE1-CG 4.15Å; F226-L232 HydrophobicContact CG-CD2 4.34Å; F226-L232 HydrophobicContact CG-CG 4.47Å; F226-L232 HydrophobicContact CZ-CD2 4.17Å; F226-R233 HydrophobicContact CB-CB 4.14Å; F226-L236 HydrophobicContact CE2-CD1 4.39Å
227W66.8Low68.4Low196 Ų19665.9 Ų65.974%0.74233%0.325SS*.THydrogen-bonded Turntrans-53.8-32.3178.476.1-90.7000113.1D224 I225D224-W227 VanDerWaalsContact O-CB 3.25Å; D224-W227 WeakPolarHBondContact O-CB 3.32Å; D224-W227 PolarHBondContact O-N 2.88Å; I225-W227 VanDerWaalsContact C-N 3.34Å
228F71.6Confident68.8Low124 Ų12470 Ų7054%0.54434%0.338SS..THydrogen-bonded Turntrans-87.5-6.4-179.970.2-85.8000114I225 F226I225-F228 WeakPolarHBondContact O-CD1 3.36Å; I225-F228 WeakPolarHBondContact O-CE1 3.44Å; F226-F228 PolarHBondContact O-N 3.29Å; F226-F228 VanDerWaalsContact O-N 3.08Å
229L76.1Confident69.1Low56 Ų5674.8 Ų74.829%0.29336%0.358SS..  trans-126.678178.1-76.5163.8000110.4F226 W231 L232 R233F226-L229 CarbonylContact O-C 3.58Å; F226-L229 PolarHBondContact O-N 3.49Å; L229-W231 VanDerWaalsContact C-N 3.31Å; L229-W231 PolarHBondContact O-N 2.93Å; L229-L232 HydrophobicContact CB-CB 4.08Å; L229-L232 HydrophobicContact CD1-CD2 4.25Å; L229-L232 PolarHBondContact O-N 3.41Å; L229-L232 VanDerWaalsContact O-N 3.11Å; L229-R233 PolarHBondContact O-N 3.44Å; L229-R233 VanDerWaalsContact O-N 3.16Å
230P72.6Confident69.2Low86 Ų8676.1 Ų76.156%0.55837%0.365SS*.Hα-helixtrans-59.4-37.8-171.1-2433.2000113.9L232 R233 S234P230-L232 PolarHBondContact O-N 2.94Å; P230-R233 WeakPolarHBondContact O-CB 3.1Å; P230-R233 PolarHBondContact O-N 3.18Å; P230-S234 PolarHBondContact O-N 2.95Å; P230-S234 PolarHBondContact O-OG 2.93Å
231W74.1Confident69.1Low168 Ų16878.3 Ų78.364%0.63638%0.375SS*.Hα-helixtrans-66.4-37.118073.6-88.7000112.3L229 S234 V235L229-W231 VanDerWaalsContact C-N 3.31Å; L229-W231 PolarHBondContact O-N 2.93Å; W231-S234 PolarHBondContact O-N 3.45Å; W231-V235 HydrophobicContact CE3-CG2 4.31Å; W231-V235 VanDerWaalsContact O-CG2 3.3Å; W231-V235 WeakPolarHBondContact O-CG2 3.24Å; W231-V235 PolarHBondContact O-N 3.35Å
232L67.8Low69.3Low48 Ų4881.5 Ų81.525%0.25139%0.388SS..Hα-helixtrans-72.3-38.7-179.9-173.459.5000110.7F226 L229 P230 V235 L236F226-L232 HydrophobicContact CD1-CD2 3.45Å; F226-L232 VanDerWaalsContact CD1-CD2 3.45Å; F226-L232 HydrophobicContact CD1-CG 4.03Å; F226-L232 HydrophobicContact CE1-CD2 3.34Å; F226-L232 HydrophobicContact CE1-CG 4.15Å; F226-L232 HydrophobicContact CG-CD2 4.34Å; F226-L232 HydrophobicContact CG-CG 4.47Å; F226-L232 HydrophobicContact CZ-CD2 4.17Å; L229-L232 HydrophobicContact CB-CB 4.08Å; L229-L232 HydrophobicContact CD1-CD2 4.25Å; L229-L232 PolarHBondContact O-N 3.41Å; L229-L232 VanDerWaalsContact O-N 3.11Å; P230-L232 PolarHBondContact O-N 2.94Å; L232-V235 PolarHBondContact O-N 3.46Å; L232-L236 WeakPolarHBondContact O-CB 3.42Å; L232-L236 PolarHBondContact O-N 2.94Å
233R71.1Confident69.2Low78 Ų7882.2 Ų82.229%0.29440%0.397SS..Hα-helixtrans-56.1-50.3170.4-177.9-174.9168.5154.85.5111.2L223 F226 L229 P230 V235 L236 E237L223-R233 HydrophobicContact CB-CG 4.43Å; L223-R233 HydrophobicContact CD2-CG 4Å; F226-R233 HydrophobicContact CB-CB 4.14Å; L229-R233 PolarHBondContact O-N 3.44Å; L229-R233 VanDerWaalsContact O-N 3.16Å; P230-R233 WeakPolarHBondContact O-CB 3.1Å; P230-R233 PolarHBondContact O-N 3.18Å; R233-V235 PolarHBondContact O-N 3.4Å; R233-L236 PolarHBondContact O-N 3.3Å; R233-E237 IonicContact CZ-OE1 3.67Å; R233-E237 IonicContact NE-OE1 3.72Å; R233-E237 PolarHBondContact NE-OE1 2.96Å; R233-E237 IonicContact NH2-OE1 2.91Å; R233-E237 WeakPolarHBondContact O-CG 3.42Å; R233-E237 PolarHBondContact O-N 3.47Å
234S69.4Low69.1Low71 Ų7185 Ų8550%0.49741%0.407SS..Hα-helixtrans-63.5-38.6179.5-59.50000113.4P230 W231 L236 Y238P230-S234 PolarHBondContact O-N 2.95Å; P230-S234 PolarHBondContact O-OG 2.93Å; W231-S234 PolarHBondContact O-N 3.45Å; S234-L236 VanDerWaalsContact C-N 3.33Å; S234-Y238 WeakPolarHBondContact O-CB 3.31Å; S234-Y238 PolarHBondContact O-N 3.42Å
235V71.9Confident69Low61 Ų6185.3 Ų85.337%0.3740%0.403SS..Hα-helixtrans-63-42.9174.2169.70000110.5W231 L232 R233 Y238 F239W231-V235 HydrophobicContact CE3-CG2 4.31Å; W231-V235 VanDerWaalsContact O-CG2 3.3Å; W231-V235 WeakPolarHBondContact O-CG2 3.24Å; W231-V235 PolarHBondContact O-N 3.35Å; L232-V235 PolarHBondContact O-N 3.46Å; R233-V235 PolarHBondContact O-N 3.4Å; V235-Y238 WeakPolarHBondContact O-CB 3.25Å; V235-Y238 PolarHBondContact O-N 2.83Å; V235-F239 HydrophobicContact CG1-CD2 3.77Å; V235-F239 HydrophobicContact CG1-CE2 3.57Å; V235-F239 WeakPolarHBondContact O-CD2 3.42Å; V235-F239 PolarHBondContact O-N 3.41Å; V235-F239 VanDerWaalsContact O-N 3.09Å
236L67.7Low69.1Low48 Ų4886.1 Ų86.125%0.25141%0.407SS..Hα-helixtrans-69.9-41.3-179-158120.6000112.3L222 L223 F226 L232 R233 S234 Y238 F239 L240L222-L236 HydrophobicContact CD2-CD1 4.2Å; L222-L236 HydrophobicContact CD2-CD2 3.18Å; L222-L236 HydrophobicContact CD2-CG 4.32Å; L223-L236 HydrophobicContact CD2-CB 4.3Å; L223-L236 HydrophobicContact CD2-CD2 3.6Å; L223-L236 HydrophobicContact CG-CD2 4.47Å; F226-L236 HydrophobicContact CE2-CD1 4.39Å; L232-L236 WeakPolarHBondContact O-CB 3.42Å; L232-L236 PolarHBondContact O-N 2.94Å; R233-L236 PolarHBondContact O-N 3.3Å; S234-L236 VanDerWaalsContact C-N 3.33Å; L236-Y238 VanDerWaalsContact C-N 3.31Å; L236-Y238 PolarHBondContact O-N 3.08Å; L236-F239 PolarHBondContact O-N 2.95Å; L236-L240 HydrophobicContact CD2-CD1 3.72Å; L236-L240 WeakPolarHBondContact O-CB 3.35Å; L236-L240 WeakPolarHBondContact O-CG 3.44Å; L236-L240 PolarHBondContact O-N 3Å
237E70.1Confident68.9Low54 Ų5488.6 Ų88.625%0.25242%0.422SS..Hα-helixtrans-56.5-44.4170-75.1174.1-173.100111.2L223 R233 F239 L240 L241L223-E237 HydrophobicContact CD1-CG 3.79Å; L223-E237 HydrophobicContact CD2-CG 3.64Å; L223-E237 HydrophobicContact CG-CG 4.39Å; R233-E237 IonicContact CZ-OE1 3.67Å; R233-E237 IonicContact NE-OE1 3.72Å; R233-E237 PolarHBondContact NE-OE1 2.96Å; R233-E237 IonicContact NH2-OE1 2.91Å; R233-E237 WeakPolarHBondContact O-CG 3.42Å; R233-E237 PolarHBondContact O-N 3.47Å; E237-F239 PolarHBondContact O-N 3.34Å; E237-L240 PolarHBondContact O-N 3.01Å; E237-L241 WeakPolarHBondContact O-CB 3.35Å; E237-L241 WeakPolarHBondContact O-CD1 3.39Å; E237-L241 VanDerWaalsContact O-CG 3.22Å; E237-L241 WeakPolarHBondContact O-CG 3.29Å; E237-L241 PolarHBondContact O-N 2.96Å
238Y71.4Confident68.7Low119 Ų11980 Ų8047%0.46739%0.392SS..Hα-helixtrans-59-46.9177.1178.1-83000112.2S234 V235 L236 L241 M242S234-Y238 WeakPolarHBondContact O-CB 3.31Å; S234-Y238 PolarHBondContact O-N 3.42Å; V235-Y238 WeakPolarHBondContact O-CB 3.25Å; V235-Y238 PolarHBondContact O-N 2.83Å; L236-Y238 VanDerWaalsContact C-N 3.31Å; L236-Y238 PolarHBondContact O-N 3.08Å; Y238-L241 PolarHBondContact O-N 3.35Å; Y238-M242 PolarHBondContact O-N 3.46Å; Y238-M242 VanDerWaalsContact O-N 3.08Å
239F70.1Confident68.6Low117 Ų11778.2 Ų78.251%0.51340%0.4SS..Hα-helixtrans-67.7-38.7178.9-79.2-66.9000112.6V235 L236 E237 L241 M242V235-F239 HydrophobicContact CG1-CD2 3.77Å; V235-F239 HydrophobicContact CG1-CE2 3.57Å; V235-F239 WeakPolarHBondContact O-CD2 3.42Å; V235-F239 PolarHBondContact O-N 3.41Å; V235-F239 VanDerWaalsContact O-N 3.09Å; L236-F239 PolarHBondContact O-N 2.95Å; E237-F239 PolarHBondContact O-N 3.34Å; F239-L241 VanDerWaalsContact C-N 3.28Å; F239-L241 PolarHBondContact O-N 3.33Å; F239-M242 VanDerWaalsContact O-CB 3.31Å; F239-M242 WeakPolarHBondContact O-CB 3.3Å; F239-M242 PolarHBondContact O-N 3.22Å
240L66.4Low68.3Low80 Ų8082.1 Ų82.142%0.41942%0.42SS..Hα-helixtrans-62.1-35.6174.6-78.7164.3000112.3I219 L223 L236 E237 P243I219-L240 HydrophobicContact CD1-CD2 4.29Å; I219-L240 HydrophobicContact CG1-CD2 4.38Å; I219-L240 HydrophobicContact CG2-CD1 3.81Å; L223-L240 HydrophobicContact CD2-CD1 4.49Å; L236-L240 HydrophobicContact CD2-CD1 3.72Å; L236-L240 WeakPolarHBondContact O-CB 3.35Å; L236-L240 WeakPolarHBondContact O-CG 3.44Å; L236-L240 PolarHBondContact O-N 3Å; E237-L240 PolarHBondContact O-N 3.01Å; L240-P243 WeakPolarHBondContact O-CD 3.46Å
241L65.4Low68.3Low58 Ų5882.8 Ų82.830%0.30442%0.423SS..Hα-helixtrans-82.4-14.1178.7-68.1169.1000113.4E237 Y238 F239 Y244 R245E237-L241 WeakPolarHBondContact O-CB 3.35Å; E237-L241 WeakPolarHBondContact O-CD1 3.39Å; E237-L241 VanDerWaalsContact O-CG 3.22Å; E237-L241 WeakPolarHBondContact O-CG 3.29Å; E237-L241 PolarHBondContact O-N 2.96Å; Y238-L241 PolarHBondContact O-N 3.35Å; F239-L241 VanDerWaalsContact C-N 3.28Å; F239-L241 PolarHBondContact O-N 3.33Å; L241-Y244 PolarHBondContact O-N 2.84Å; L241-R245 WeakPolarHBondContact O-CG 3.39Å; L241-R245 PolarHBondContact O-N 3.06Å
242M68.1Low67.4Low82 Ų8278.2 Ų78.240%0.40443%0.428SS..Hα-helixtrans-57.5-43.9-176.6-165.5-165-171.100113.8Y238 F239 Y244 R245 I246Y238-M242 PolarHBondContact O-N 3.46Å; Y238-M242 VanDerWaalsContact O-N 3.08Å; F239-M242 VanDerWaalsContact O-CB 3.31Å; F239-M242 WeakPolarHBondContact O-CB 3.3Å; F239-M242 PolarHBondContact O-N 3.22Å; M242-Y244 VanDerWaalsContact C-N 3.34Å; M242-Y244 PolarHBondContact O-N 3.48Å; M242-R245 WeakPolarHBondContact O-CB 3.35Å; M242-R245 PolarHBondContact O-N 3.08Å; M242-I246 HydrophobicContact CE-CD1 4.21Å; M242-I246 HydrophobicContact CG-CD1 3.99Å; M242-I246 HydrophobicContact CG-CG1 4.49Å; M242-I246 VanDerWaalsContact O-CG1 3.31Å; M242-I246 WeakPolarHBondContact O-CG1 3.42Å; M242-I246 PolarHBondContact O-N 3.16Å; M242-I246 HydrophobicContact SD-CD1 4.42Å
243P65.3Low66.8Low87 Ų8777.6 Ų77.657%0.56543%0.433SS*.Hα-helixtrans-62.4-39.5178.5-21.433.7000112.7L240 I246 L247L240-P243 WeakPolarHBondContact O-CD 3.46Å; P243-I246 PolarHBondContact O-N 3.15Å; P243-L247 WeakPolarHBondContact O-CB 3.36Å; P243-L247 PolarHBondContact O-N 3.39Å
244Y62.5Low65.9Low67 Ų6776.3 Ų76.326%0.26344%0.444SS..Hα-helixtrans-65.7-42.3175.2175.8-103.7000111.3L241 M242 I246 L247 C248 W260L241-Y244 PolarHBondContact O-N 2.84Å; M242-Y244 VanDerWaalsContact C-N 3.34Å; M242-Y244 PolarHBondContact O-N 3.48Å; Y244-I246 VanDerWaalsContact C-N 3.34Å; Y244-I246 PolarHBondContact O-N 3.17Å; Y244-L247 WeakPolarHBondContact O-CB 3.34Å; Y244-L247 PolarHBondContact O-N 2.87Å; Y244-C248 PolarHBondContact O-N 2.92Å; Y244-C248 PolarHBondContact O-SG 3.43Å; Y244-W260 HydrophobicContact CE1-CG 4.42Å
245R65.4Low64.9Low78 Ų7878.5 Ų78.529%0.29444%0.442SS..Hα-helixtrans-60.7-43.3175.7-70172.5-179-163.60.4112.2L241 M242 L247 A249L241-R245 WeakPolarHBondContact O-CG 3.39Å; L241-R245 PolarHBondContact O-N 3.06Å; M242-R245 WeakPolarHBondContact O-CB 3.35Å; M242-R245 PolarHBondContact O-N 3.08Å; R245-L247 VanDerWaalsContact C-N 3.35Å; R245-A249 VanDerWaalsContact O-CB 3.3Å; R245-A249 WeakPolarHBondContact O-CB 3.15Å; R245-A249 PolarHBondContact O-N 3.26Å
246I68.9Low64.1Low83 Ų8381.4 Ų81.443%0.42645%0.452SS..Hα-helixtrans-63.7-43.2175.4-67.3165.6000110.1M242 P243 Y244 A249 L250M242-I246 HydrophobicContact CE-CD1 4.21Å; M242-I246 HydrophobicContact CG-CD1 3.99Å; M242-I246 HydrophobicContact CG-CG1 4.49Å; M242-I246 VanDerWaalsContact O-CG1 3.31Å; M242-I246 WeakPolarHBondContact O-CG1 3.42Å; M242-I246 PolarHBondContact O-N 3.16Å; M242-I246 HydrophobicContact SD-CD1 4.42Å; P243-I246 PolarHBondContact O-N 3.15Å; Y244-I246 VanDerWaalsContact C-N 3.34Å; Y244-I246 PolarHBondContact O-N 3.17Å; I246-A249 PolarHBondContact O-N 3.41Å; I246-L250 HydrophobicContact CG2-CD1 3.74Å; I246-L250 HydrophobicContact CG2-CG 4.34Å; I246-L250 WeakPolarHBondContact O-CB 3.38Å; I246-L250 VanDerWaalsContact O-CG 3.23Å; I246-L250 WeakPolarHBondContact O-CG 3.25Å; I246-L250 PolarHBondContact O-N 3Å
247L65.1Low63.3Low99 Ų9982.6 Ų82.652%0.51846%0.456SS..Hα-helixtrans-61.8-47.5177.5-174.767.4000111.9P243 Y244 R245 A249 L250 T251P243-L247 WeakPolarHBondContact O-CB 3.36Å; P243-L247 PolarHBondContact O-N 3.39Å; Y244-L247 WeakPolarHBondContact O-CB 3.34Å; Y244-L247 PolarHBondContact O-N 2.87Å; R245-L247 VanDerWaalsContact C-N 3.35Å; L247-A249 VanDerWaalsContact C-N 3.34Å; L247-A249 PolarHBondContact O-N 3.4Å; L247-L250 PolarHBondContact O-N 3.01Å; L247-T251 HydrophobicContact CD1-CG2 4.15Å; L247-T251 HydrophobicContact CG-CG2 4.45Å; L247-T251 WeakPolarHBondContact O-CG2 3.29Å; L247-T251 PolarHBondContact O-N 3.16Å; L247-T251 PolarHBondContact O-OG1 3.44Å
248C62.1Low62.5Low17 Ų1786.8 Ų86.812%0.11548%0.475CS..Hα-helixtrans-61.6-40.8175.8-72.10000112.3Y244 L250 T251 G252 G253Y244-C248 PolarHBondContact O-N 2.92Å; Y244-C248 PolarHBondContact O-SG 3.43Å; C248-L250 VanDerWaalsContact C-N 3.3Å; C248-L250 PolarHBondContact O-N 3.1Å; C248-T251 PolarHBondContact O-N 3.27Å; C248-G252 PolarHBondContact O-N 2.92Å; C248-G252 VanDerWaalsContact O-N 3.1Å; C248-G253 PolarHBondContact O-N 2.97Å
249A69.3Low61.5Low85 Ų8583.1 Ų83.170%0.70247%0.47SS*.Hα-helixtrans-63.8-35.2175.500000112.4R245 I246 L247R245-A249 VanDerWaalsContact O-CB 3.3Å; R245-A249 WeakPolarHBondContact O-CB 3.15Å; R245-A249 PolarHBondContact O-N 3.26Å; I246-A249 PolarHBondContact O-N 3.41Å; L247-A249 VanDerWaalsContact C-N 3.34Å; L247-A249 PolarHBondContact O-N 3.4Å
250L70.4Confident60.8Low138 Ų13883 Ų8372%0.72347%0.466SS*.Hα-helixtrans-78.8-34178.3-72.1169.7000113.3I246 L247 C248I246-L250 HydrophobicContact CG2-CD1 3.74Å; I246-L250 HydrophobicContact CG2-CG 4.34Å; I246-L250 WeakPolarHBondContact O-CB 3.38Å; I246-L250 VanDerWaalsContact O-CG 3.23Å; I246-L250 WeakPolarHBondContact O-CG 3.25Å; I246-L250 PolarHBondContact O-N 3Å; L247-L250 PolarHBondContact O-N 3.01Å; C248-L250 VanDerWaalsContact C-N 3.3Å; C248-L250 PolarHBondContact O-N 3.1Å
251T72.2Confident60.2Low100 Ų10086.7 Ų86.761%0.61347%0.474SS*.Hα-helixtrans-91.7-2-177.658.60000113.8L247 C248 G253L247-T251 HydrophobicContact CD1-CG2 4.15Å; L247-T251 HydrophobicContact CG-CG2 4.45Å; L247-T251 WeakPolarHBondContact O-CG2 3.29Å; L247-T251 PolarHBondContact O-N 3.16Å; L247-T251 PolarHBondContact O-OG1 3.44Å; C248-T251 PolarHBondContact O-N 3.27Å; T251-G253 PolarHBondContact O-N 2.99Å
252G54.6Low59.6Low72 Ų7289.9 Ų89.974%0.74249%0.486SS*.THydrogen-bonded Turntrans67.811.8-176.100000113.6C248 G254C248-G252 PolarHBondContact O-N 2.92Å; C248-G252 VanDerWaalsContact O-N 3.1Å; G252-G254 PolarHBondContact O-N 3.08Å
253G55.7Low59.1Low36 Ų3688.2 Ų88.237%0.37148%0.48SS..  trans-70122.4177.300000110.4C248 T251 Y255C248-G253 PolarHBondContact O-N 2.97Å; T251-G253 PolarHBondContact O-N 2.99Å; G253-Y255 PolarHBondContact O-N 3.31Å
254G51.1Low58.6Low50 Ų5087.5 Ų87.552%0.51547%0.471SS..  trans-52.6131.7174.300000111.1G252 H256G252-G254 PolarHBondContact O-N 3.08Å; G254-H256 PolarHBondContact O-N 3.2Å
255Y48.8Very low58.5Low117 Ų11790.6 Ų90.646%0.45949%0.488SS..  trans-60.8100175.2176.4-111.2000110.1G253 E257G253-Y255 PolarHBondContact O-N 3.31Å; Y255-E257 HydrophobicContact CD1-CB 4.09Å; Y255-E257 HydrophobicContact CE1-CB 3.46Å; Y255-E257 VanDerWaalsContact CE1-CB 3.46Å; Y255-E257 HydrophobicContact CE1-CG 3.9Å; Y255-E257 WeakPolarHBondContact CE1-OE2 3.13Å; Y255-E257 HydrophobicContact CE2-CB 4.31Å; Y255-E257 HydrophobicContact CE2-CG 4.42Å; Y255-E257 VanDerWaalsContact CZ-OE2 3.22Å; Y255-E257 PolarHBondContact O-N 2.79Å; Y255-E257 WeakPolarHBondContact OH-CG 3.44Å; Y255-E257 PolarHBondContact OH-OE2 3.07Å
256H55Low58.3Low122 Ų12291.7 Ų91.757%0.56550%0.499SS*.  trans-96.573.7170.1-67.2-57.7000109.3G254 E258 A259 W260G254-H256 PolarHBondContact O-N 3.2Å; H256-E258 PolarHBondContact O-N 3.13Å; H256-E258 VanDerWaalsContact O-N 3.11Å; H256-A259 HydrophobicContact CB-CB 3.57Å; H256-A259 PolarHBondContact O-N 3.07Å; H256-W260 PolarHBondContact O-N 3.07Å
257E51.6Low57.4Low74 Ų7489.3 Ų89.335%0.34649%0.487SS..Hα-helixtrans-49.3-36.5171.1-156.6172.316100111Y255 R261Y255-E257 HydrophobicContact CD1-CB 4.09Å; Y255-E257 HydrophobicContact CE1-CB 3.46Å; Y255-E257 VanDerWaalsContact CE1-CB 3.46Å; Y255-E257 HydrophobicContact CE1-CG 3.9Å; Y255-E257 WeakPolarHBondContact CE1-OE2 3.13Å; Y255-E257 HydrophobicContact CE2-CB 4.31Å; Y255-E257 HydrophobicContact CE2-CG 4.42Å; Y255-E257 VanDerWaalsContact CZ-OE2 3.22Å; Y255-E257 PolarHBondContact O-N 2.79Å; Y255-E257 WeakPolarHBondContact OH-CG 3.44Å; Y255-E257 PolarHBondContact OH-OE2 3.07Å; E257-R261 HydrophobicContact CG-CG 4.35Å; E257-R261 WeakPolarHBondContact O-CA 3.18Å; E257-R261 WeakPolarHBondContact O-CB 2.96Å; E257-R261 WeakPolarHBondContact O-CG 3.13Å; E257-R261 PolarHBondContact O-N 3.16Å; E257-R261 IonicContact OE1-CZ 2.67Å; E257-R261 IonicContact OE1-NE 3.93Å; E257-R261 PolarHBondContact OE1-NE 2.64Å; E257-R261 IonicContact OE1-NH2 3.17Å; E257-R261 PolarHBondContact OE1-NH2 3.3Å
258E52.3Low56.8Low141 Ų14187.5 Ų87.566%0.65948%0.477SS*.Hα-helixtrans-69.2-34.2177.7-68.1169.917400113.8H256 K262H256-E258 PolarHBondContact O-N 3.13Å; H256-E258 VanDerWaalsContact O-N 3.11Å; E258-K262 WeakPolarHBondContact O-CB 3.29Å; E258-K262 WeakPolarHBondContact O-CD 3.41Å; E258-K262 WeakPolarHBondContact O-CG 3.46Å; E258-K262 PolarHBondContact O-N 3.48Å
259A51.5Low56.5Low43 Ų4394.4 Ų94.436%0.35551%0.505SS..Hα-helixtrans-71.9-43.3179.700000110.7H256 K262 V263H256-A259 HydrophobicContact CB-CB 3.57Å; H256-A259 PolarHBondContact O-N 3.07Å; A259-K262 PolarHBondContact O-N 3.28Å; A259-V263 WeakPolarHBondContact O-CG2 3.46Å; A259-V263 PolarHBondContact O-N 3.31Å
260W54.4Low55.9Low113 Ų11395.5 Ų95.543%0.42850%0.496SS..Hα-helixtrans-79.9-32.4178.1-124.8-138.7000112.8Y244 H256 K262 V263 L264Y244-W260 HydrophobicContact CE1-CG 4.42Å; H256-W260 PolarHBondContact O-N 3.07Å; W260-K262 VanDerWaalsContact C-N 3.35Å; W260-V263 HydrophobicContact CD2-CB 4.32Å; W260-V263 HydrophobicContact CE3-CB 3.83Å; W260-V263 HydrophobicContact CE3-CG1 4.2Å; W260-V263 HydrophobicContact CE3-CG2 3.65Å; W260-V263 HydrophobicContact CH2-CG1 4.4Å; W260-V263 HydrophobicContact CZ3-CB 4.11Å; W260-V263 HydrophobicContact CZ3-CG1 4.15Å; W260-V263 HydrophobicContact CZ3-CG2 3.65Å; W260-V263 PolarHBondContact O-N 2.86Å; W260-L264 WeakPolarHBondContact O-CB 3.39Å; W260-L264 PolarHBondContact O-N 3.17Å
261R53.5Low55.1Low158 Ų15893.7 Ų93.760%0.59648%0.48SS*.Hα-helixtrans-61.1-43.2165.8-81179-177.5-105.13.3110.9E257 V263 L264 E265E257-R261 HydrophobicContact CG-CG 4.35Å; E257-R261 WeakPolarHBondContact O-CA 3.18Å; E257-R261 WeakPolarHBondContact O-CB 2.96Å; E257-R261 WeakPolarHBondContact O-CG 3.13Å; E257-R261 PolarHBondContact O-N 3.16Å; E257-R261 IonicContact OE1-CZ 2.67Å; E257-R261 IonicContact OE1-NE 3.93Å; E257-R261 PolarHBondContact OE1-NE 2.64Å; E257-R261 IonicContact OE1-NH2 3.17Å; E257-R261 PolarHBondContact OE1-NH2 3.3Å; R261-V263 VanDerWaalsContact C-N 3.35Å; R261-L264 CarbonylContact O-C 3.47Å; R261-L264 PolarHBondContact O-N 3.05Å; R261-E265 VanDerWaalsContact O-CB 3.29Å; R261-E265 WeakPolarHBondContact O-CB 3.27Å; R261-E265 PolarHBondContact O-N 3.45Å
262K54.3Low54.3Low126 Ų12691.9 Ų91.955%0.54847%0.469SS..Hα-helixtrans-61.6-41.3173.1-82.9172.3179.4173.30111.9E258 A259 W260 E265 I266E258-K262 WeakPolarHBondContact O-CB 3.29Å; E258-K262 WeakPolarHBondContact O-CD 3.41Å; E258-K262 WeakPolarHBondContact O-CG 3.46Å; E258-K262 PolarHBondContact O-N 3.48Å; A259-K262 PolarHBondContact O-N 3.28Å; W260-K262 VanDerWaalsContact C-N 3.35Å; K262-E265 PolarHBondContact O-N 3.38Å; K262-I266 VanDerWaalsContact O-CB 3.27Å; K262-I266 WeakPolarHBondContact O-CB 3.33Å; K262-I266 WeakPolarHBondContact O-CD1 3.07Å; K262-I266 WeakPolarHBondContact O-CG1 3.45Å; K262-I266 PolarHBondContact O-N 3.34Å
263V57.4Low54.3Low46 Ų4693.7 Ų93.728%0.27946%0.458SS..Hα-helixtrans-63.3-45.6174167.50000110.6A259 W260 R261 E265 I266 L267A259-V263 WeakPolarHBondContact O-CG2 3.46Å; A259-V263 PolarHBondContact O-N 3.31Å; W260-V263 HydrophobicContact CD2-CB 4.32Å; W260-V263 HydrophobicContact CE3-CB 3.83Å; W260-V263 HydrophobicContact CE3-CG1 4.2Å; W260-V263 HydrophobicContact CE3-CG2 3.65Å; W260-V263 HydrophobicContact CH2-CG1 4.4Å; W260-V263 HydrophobicContact CZ3-CB 4.11Å; W260-V263 HydrophobicContact CZ3-CG1 4.15Å; W260-V263 HydrophobicContact CZ3-CG2 3.65Å; W260-V263 PolarHBondContact O-N 2.86Å; R261-V263 VanDerWaalsContact C-N 3.35Å; V263-E265 VanDerWaalsContact C-N 3.34Å; V263-E265 PolarHBondContact O-N 3.17Å; V263-I266 PolarHBondContact O-N 2.56Å; V263-L267 HydrophobicContact CG1-CD1 3.64Å; V263-L267 HydrophobicContact CG1-CG 4.29Å; V263-L267 VanDerWaalsContact O-CB 3.27Å; V263-L267 WeakPolarHBondContact O-CB 3.19Å; V263-L267 WeakPolarHBondContact O-CD1 3.14Å; V263-L267 WeakPolarHBondContact O-CG 3.21Å; V263-L267 PolarHBondContact O-N 2.96Å
264L54.5Low54.3Low72 Ų72101 Ų10138%0.37747%0.474SS..Hα-helixtrans-61.6-41.1175.2-139.8100.1000111.7W260 R261 L267 L268W260-L264 WeakPolarHBondContact O-CB 3.39Å; W260-L264 PolarHBondContact O-N 3.17Å; R261-L264 CarbonylContact O-C 3.47Å; R261-L264 PolarHBondContact O-N 3.05Å; L264-L267 PolarHBondContact O-N 3.25Å; L264-L268 HydrophobicContact CD2-CD1 4.07Å; L264-L268 HydrophobicContact CG-CD1 4.49Å; L264-L268 VanDerWaalsContact O-CB 3.3Å; L264-L268 WeakPolarHBondContact O-CB 3.44Å; L264-L268 WeakPolarHBondContact O-CD1 3.43Å; L264-L268 WeakPolarHBondContact O-CG 3.28Å; L264-L268 PolarHBondContact O-N 3.06Å
265E60.6Low54.5Low132 Ų132103.2 Ų103.262%0.61747%0.471SS*.Hα-helixtrans-66.2-44.7177.4-119.4177.8172.900111.6R261 K262 V263 L267 L268 K269R261-E265 VanDerWaalsContact O-CB 3.29Å; R261-E265 WeakPolarHBondContact O-CB 3.27Å; R261-E265 PolarHBondContact O-N 3.45Å; K262-E265 PolarHBondContact O-N 3.38Å; V263-E265 VanDerWaalsContact C-N 3.34Å; V263-E265 PolarHBondContact O-N 3.17Å; E265-L267 VanDerWaalsContact C-N 3.33Å; E265-L268 PolarHBondContact O-N 3.21Å; E265-K269 WeakPolarHBondContact O-CB 3.39Å; E265-K269 PolarHBondContact O-N 2.79Å
266I61.1Low54.8Low101 Ų101104.2 Ų104.252%0.51848%0.478SS..Hα-helixtrans-60.6-47.5174.7-71.3163000108.9K262 V263 L268 K269 E270K262-I266 VanDerWaalsContact O-CB 3.27Å; K262-I266 WeakPolarHBondContact O-CB 3.33Å; K262-I266 WeakPolarHBondContact O-CD1 3.07Å; K262-I266 WeakPolarHBondContact O-CG1 3.45Å; K262-I266 PolarHBondContact O-N 3.34Å; V263-I266 PolarHBondContact O-N 2.56Å; I266-L268 PolarHBondContact O-N 2.91Å; I266-K269 PolarHBondContact O-N 3.32Å; I266-E270 WeakPolarHBondContact O-CB 3.35Å; I266-E270 PolarHBondContact O-N 3Å
267L50.7Low55.2Low34 Ų34103.3 Ų103.318%0.17847%0.474CS..Hα-helixtrans-60.9-43.4178.3-71.3167.3000112.2Y213 V263 L264 E265 Y271Y213-L267 HydrophobicContact CD1-CD2 4.04Å; Y213-L267 HydrophobicContact CE1-CD2 3.99Å; V263-L267 HydrophobicContact CG1-CD1 3.64Å; V263-L267 HydrophobicContact CG1-CG 4.29Å; V263-L267 VanDerWaalsContact O-CB 3.27Å; V263-L267 WeakPolarHBondContact O-CB 3.19Å; V263-L267 WeakPolarHBondContact O-CD1 3.14Å; V263-L267 WeakPolarHBondContact O-CG 3.21Å; V263-L267 PolarHBondContact O-N 2.96Å; L264-L267 PolarHBondContact O-N 3.25Å; E265-L267 VanDerWaalsContact C-N 3.33Å; L267-Y271 PolarHBondContact O-N 3.41Å
268L51.5Low55.3Low61 Ų61102.9 Ų102.932%0.31948%0.483SS..Hα-helixtrans-70.8-35.2178.1-72.8167.7000112.8A220 L264 E265 I266 T272A220-L268 HydrophobicContact CB-CD2 4.04Å; L264-L268 HydrophobicContact CD2-CD1 4.07Å; L264-L268 HydrophobicContact CG-CD1 4.49Å; L264-L268 VanDerWaalsContact O-CB 3.3Å; L264-L268 WeakPolarHBondContact O-CB 3.44Å; L264-L268 WeakPolarHBondContact O-CD1 3.43Å; L264-L268 WeakPolarHBondContact O-CG 3.28Å; L264-L268 PolarHBondContact O-N 3.06Å; E265-L268 PolarHBondContact O-N 3.21Å; I266-L268 PolarHBondContact O-N 2.91Å; L268-T272 PolarHBondContact O-N 3.28Å; L268-T272 PolarHBondContact O-OG1 2.9Å
269K56.8Low55.3Low162 Ų162100.6 Ų100.670%0.70448%0.475SS*.Hα-helixtrans-75.2-36.1-179.4-166.5176.8-175-179.70112.2E265 I266 Y271 T272 H273E265-K269 WeakPolarHBondContact O-CB 3.39Å; E265-K269 PolarHBondContact O-N 2.79Å; I266-K269 PolarHBondContact O-N 3.32Å; K269-Y271 VanDerWaalsContact C-N 3.34Å; K269-T272 WeakPolarHBondContact CA-OG1 3.47Å; K269-T272 PolarHBondContact O-OG1 2.95Å; K269-H273 PolarHBondContact O-N 3.18Å; K269-H273 VanDerWaalsContact O-N 3.07Å
270E56.9Low55.5Low107 Ų107105.4 Ų105.450%0.549%0.488SS..Hα-helixtrans-64.8-40.2173.5-156.492.4-155.800111I266 H273 R274I266-E270 WeakPolarHBondContact O-CB 3.35Å; I266-E270 PolarHBondContact O-N 3Å; E270-H273 PolarHBondContact O-N 2.97Å; E270-R274 PolarHBondContact O-N 3.28Å
271Y52.6Low55.5Low100 Ų100105.2 Ų105.239%0.39250%0.499SS..Hα-helixtrans-60.1-50.8175179.5-98.3000111.9D217 L267 K269 H273 R274 E275D217-Y271 WeakPolarHBondContact OD1-CD2 3.3Å; D217-Y271 WeakPolarHBondContact OD1-CE2 3.37Å; L267-Y271 PolarHBondContact O-N 3.41Å; K269-Y271 VanDerWaalsContact C-N 3.34Å; Y271-H273 VanDerWaalsContact C-N 3.25Å; Y271-H273 PolarHBondContact O-N 3.14Å; Y271-R274 PolarHBondContact O-N 3.39Å; Y271-E275 PolarHBondContact O-N 3.25Å
272T55.7Low55.2Low63 Ų63101.8 Ų101.839%0.38750%0.5SS..Hα-helixtrans-64.2-30178.314.30000112.7L268 K269 K276L268-T272 PolarHBondContact O-N 3.28Å; L268-T272 PolarHBondContact O-OG1 2.9Å; K269-T272 WeakPolarHBondContact CA-OG1 3.47Å; K269-T272 PolarHBondContact O-OG1 2.95Å; T272-K276 WeakPolarHBondContact O-CG 3.37Å; T272-K276 PolarHBondContact O-N 3.29Å; T272-K276 VanDerWaalsContact O-N 3.14Å
273H55.1Low54.9Low110 Ų110106.4 Ų106.451%0.50951%0.514SS..Hα-helixtrans-67.8-45174.4-169-82.7000111.5K269 E270 Y271 K276 E277K269-H273 PolarHBondContact O-N 3.18Å; K269-H273 VanDerWaalsContact O-N 3.07Å; E270-H273 PolarHBondContact O-N 2.97Å; Y271-H273 VanDerWaalsContact C-N 3.25Å; Y271-H273 PolarHBondContact O-N 3.14Å; H273-K276 WeakPolarHBondContact O-CB 3.42Å; H273-K276 PolarHBondContact O-N 2.85Å; H273-E277 IonicContact CE1-OE1 2.7Å; H273-E277 VanDerWaalsContact O-CG 3.3Å; H273-E277 WeakPolarHBondContact O-CG 3.47Å; H273-E277 PolarHBondContact O-N 3.22Å
274R55.9Low54.2Low188 Ų188114.3 Ų114.371%0.70955%0.553SS**Hα-helixtrans-68.3-35.3176.9-74-151.6-174.3-161.24.3113.3E270 Y271 K276 E277 A278E270-R274 PolarHBondContact O-N 3.28Å; Y271-R274 PolarHBondContact O-N 3.39Å; R274-K276 VanDerWaalsContact C-N 3.31Å; R274-K276 PolarHBondContact O-N 3.48Å; R274-E277 PolarHBondContact O-N 3.4Å; R274-A278 WeakPolarHBondContact O-CB 3.5Å; R274-A278 PolarHBondContact O-N 3.35Å
275E54Low54.2Low97 Ų97116.5 Ų116.545%0.45356%0.562SS.*Hα-helixtrans-60.4-43.4172.2-166.9-178.3-171.500110.8Y271 E277 A278 L279Y271-E275 PolarHBondContact O-N 3.25Å; E275-E277 PolarHBondContact O-N 3.11Å; E275-A278 PolarHBondContact O-N 2.96Å; E275-L279 HydrophobicContact CG-CD1 4.16Å; E275-L279 WeakPolarHBondContact O-CB 3.46Å; E275-L279 WeakPolarHBondContact O-CD1 3.34Å; E275-L279 WeakPolarHBondContact O-CG 3.34Å; E275-L279 PolarHBondContact O-N 3.45Å
276K55.2Low53.8Low139 Ų139115.6 Ų115.660%0.60456%0.559SS**Hα-helixtrans-64.2-36.1173.9-77.8177.31801770113.4T272 H273 R274 K280T272-K276 WeakPolarHBondContact O-CG 3.37Å; T272-K276 PolarHBondContact O-N 3.29Å; T272-K276 VanDerWaalsContact O-N 3.14Å; H273-K276 WeakPolarHBondContact O-CB 3.42Å; H273-K276 PolarHBondContact O-N 2.85Å; R274-K276 VanDerWaalsContact C-N 3.31Å; R274-K276 PolarHBondContact O-N 3.48Å; K276-K280 WeakPolarHBondContact O-CG 3.42Å; K276-K280 PolarHBondContact O-N 3.06Å
277E64.4Low53.4Low103 Ų103116.4 Ų116.448%0.48156%0.561SS.*Hα-helixtrans-72.1-42.8176.6-65.5-124.3129.700111.9H273 R274 E275 L279 K280 V281H273-E277 IonicContact CE1-OE1 2.7Å; H273-E277 VanDerWaalsContact O-CG 3.3Å; H273-E277 WeakPolarHBondContact O-CG 3.47Å; H273-E277 PolarHBondContact O-N 3.22Å; R274-E277 PolarHBondContact O-N 3.4Å; E275-E277 PolarHBondContact O-N 3.11Å; E277-L279 VanDerWaalsContact C-N 3.32Å; E277-L279 PolarHBondContact O-N 3.42Å; E277-K280 WeakPolarHBondContact O-CB 3.21Å; E277-K280 PolarHBondContact O-N 3.47Å; E277-K280 VanDerWaalsContact O-N 3.11Å; E277-V281 WeakPolarHBondContact O-CG2 3.48Å; E277-V281 PolarHBondContact O-N 3.18Å
278A53.1Low53.6Low65 Ų65121.3 Ų121.354%0.53758%0.584SS.*Hα-helixtrans-61.6-39.5175.100000111.9R274 E275 K280 V281 S282R274-A278 WeakPolarHBondContact O-CB 3.5Å; R274-A278 PolarHBondContact O-N 3.35Å; E275-A278 PolarHBondContact O-N 2.96Å; A278-K280 VanDerWaalsContact C-N 3.31Å; A278-K280 PolarHBondContact O-N 3.38Å; A278-V281 PolarHBondContact O-N 3.46Å; A278-S282 PolarHBondContact O-N 3.13Å; A278-S282 VanDerWaalsContact O-N 3.13Å
279L53Low53.7Low93 Ų93125.1 Ų125.149%0.48760%0.6SS.*Hα-helixtrans-69.2-23.9174.6-74.5166.8000113.9E275 E277 S282E275-L279 HydrophobicContact CG-CD1 4.16Å; E275-L279 WeakPolarHBondContact O-CB 3.46Å; E275-L279 WeakPolarHBondContact O-CD1 3.34Å; E275-L279 WeakPolarHBondContact O-CG 3.34Å; E275-L279 PolarHBondContact O-N 3.45Å; E277-L279 VanDerWaalsContact C-N 3.32Å; E277-L279 PolarHBondContact O-N 3.42Å; L279-S282 PolarHBondContact O-OG 3.36Å
280K54.9Low53.5Low143 Ų143122.6 Ų122.662%0.62259%0.593SS**Hα-helixtrans-77.7-38.3173-79.7174.9-179.4178.70111.7K276 E277 A278 S282 R283K276-K280 WeakPolarHBondContact O-CG 3.42Å; K276-K280 PolarHBondContact O-N 3.06Å; E277-K280 WeakPolarHBondContact O-CB 3.21Å; E277-K280 PolarHBondContact O-N 3.47Å; E277-K280 VanDerWaalsContact O-N 3.11Å; A278-K280 VanDerWaalsContact C-N 3.31Å; A278-K280 PolarHBondContact O-N 3.38Å; K280-S282 VanDerWaalsContact C-N 3.32Å; K280-R283 PolarHBondContact O-N 3.41Å
281V55Low53.3Low110 Ų110123.7 Ų123.767%0.66760%0.6SS**Hα-helixtrans-69.6-29.8177.31760000111.6E277 A278 R283E277-V281 WeakPolarHBondContact O-CG2 3.48Å; E277-V281 PolarHBondContact O-N 3.18Å; A278-V281 PolarHBondContact O-N 3.46Å; V281-R283 VanDerWaalsContact C-N 3.29Å; V281-R283 PolarHBondContact O-N 3.37Å
282S46Very low53.3Low86 Ų86125.5 Ų125.560%0.60162%0.616SS**THydrogen-bonded Turntrans-80.90.4176.681.80000115.1A278 L279 K280A278-S282 PolarHBondContact O-N 3.13Å; A278-S282 VanDerWaalsContact O-N 3.13Å; L279-S282 PolarHBondContact O-OG 3.36Å; K280-S282 VanDerWaalsContact C-N 3.32Å
283R47.7Very low53.1Low223 Ų223130.8 Ų130.884%0.84264%0.635SS**THydrogen-bonded Turntrans-108.25.4177.1-77.7-171.2-171.1-162.72.7113.3K280 V281K280-R283 PolarHBondContact O-N 3.41Å; V281-R283 VanDerWaalsContact C-N 3.29Å; V281-R283 PolarHBondContact O-N 3.37Å
284L42.9Very low52.9Low212 Ų212132.6 Ų132.6100%1.1165%0.647SS**  trans-1050168.3-79.5159.5000108.9

Retrieved 284 of 284 residues in 2213.9 ms (Link to these results)

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