A0A087YFR9_POEFO Loading...

PARP

AlphaFold DB , UniProt , Accession A0A087YFR9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 783 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
1M35.6Very low73.7Confident229 Ų22986 Ų86100%1.12845%0.454SS*.  0131.70-69.8177-168.300106.4N3M1-N3 PolarHBondContact O-N 3.04Å; M1-N3 PolarHBondContact O-OD1 2.74Å
2A43.3Very low74.3Confident84 Ų8482 Ų8269%0.69444%0.443SS*.  trans-68.2125.717800000108.6K4A2-K4 PolarHBondContact O-N 3.34Å
3N66.9Low75Confident42 Ų4276 Ų7623%0.22541%0.411CS..EExtended strand (participates in β ladder)trans-75.773.5177-67.7-4.3000108.6M1 C487 E490 K493M1-N3 PolarHBondContact O-N 3.04Å; M1-N3 PolarHBondContact O-OD1 2.74Å; N3-C487 PolarHBondContact O-N 3.32Å; N3-E490 PolarHBondContact ND2-N 3.02Å; N3-E490 PolarHBondContact ND2-OE1 3.13Å; N3-E490 PolarHBondContact OD1-OE1 3.06Å; N3-K493 HydrophobicContact CB-CD 4.37Å
4K76.2Confident75.7Confident101 Ų10172.4 Ų72.444%0.43939%0.391SS..EExtended strand (participates in β ladder)trans-81.5142.7177.4-160.1-175.4-175-131.50109.5A2 D6 L485 K493A2-K4 PolarHBondContact O-N 3.34Å; K4-D6 WeakPolarHBondContact CE-OD1 3.23Å; K4-D6 VanDerWaalsContact NZ-CG 3.27Å; K4-D6 IonicContact NZ-OD1 3.36Å; K4-D6 PolarHBondContact NZ-OD1 3.02Å; K4-D6 IonicContact NZ-OD2 3.81Å; K4-D6 PolarHBondContact NZ-OD2 3.26Å; K4-L485 VanDerWaalsContact CA-O 3.3Å; K4-L485 WeakPolarHBondContact CA-O 3.16Å; K4-K493 PolarHBondContact O-NZ 3.33Å; K4-K493 VanDerWaalsContact O-NZ 3.16Å
5L81.9Confident76.2Confident19 Ų1969.7 Ų69.710%0.09938%0.38CS..EExtended strand (participates in β ladder)trans-131.2129.6168.9-178.269.8000108.2I7 S484 L485 K493 E497L5-I7 HydrophobicContact CD2-CD1 3.85Å; L5-I7 HydrophobicContact CD2-CG1 3.97Å; L5-I7 HydrophobicContact CG-CD1 4.43Å; L5-I7 HydrophobicContact CG-CG1 4.02Å; L5-S484 CarbonylContact O-C 3.51Å; L5-S484 WeakPolarHBondContact O-CA 3.5Å; L5-L485 HydrophobicContact CB-CB 4.21Å; L5-L485 HydrophobicContact CD2-CD1 3.97Å; L5-L485 PolarHBondContact N-O 3Å; L5-L485 PolarHBondContact O-N 3.27Å; L5-K493 HydrophobicContact CB-CD 4.4Å; L5-K493 HydrophobicContact CB-CG 4.21Å; L5-K493 HydrophobicContact CD2-CG 4.48Å; L5-E497 HydrophobicContact CD2-CB 3.54Å; L5-E497 HydrophobicContact CD2-CG 3.74Å
6D85Confident76.7Confident75 Ų7565.8 Ų65.840%0.40136%0.358SS..EExtended strand (participates in β ladder)trans-116.4121.8176.1-65.8-41.7000108.5K4 I483 S484K4-D6 WeakPolarHBondContact CE-OD1 3.23Å; K4-D6 VanDerWaalsContact NZ-CG 3.27Å; K4-D6 IonicContact NZ-OD1 3.36Å; K4-D6 PolarHBondContact NZ-OD1 3.02Å; K4-D6 IonicContact NZ-OD2 3.81Å; K4-D6 PolarHBondContact NZ-OD2 3.26Å; D6-I483 CarbonylContact C-O 3.53Å; D6-I483 WeakPolarHBondContact CA-O 3.43Å; D6-S484 WeakPolarHBondContact OD1-CA 3.5Å; D6-S484 VanDerWaalsContact OD1-CB 3.24Å; D6-S484 WeakPolarHBondContact OD1-CB 3.45Å; D6-S484 PolarHBondContact OD1-OG 2.75Å
7I84.8Confident77.1Confident21 Ų2161.9 Ų61.911%0.10834%0.337CS..EExtended strand (participates in β ladder)trans-114.6116.2-177.1-56.3172.3000108.4L5 Q482 I483 L500 F505L5-I7 HydrophobicContact CD2-CD1 3.85Å; L5-I7 HydrophobicContact CD2-CG1 3.97Å; L5-I7 HydrophobicContact CG-CD1 4.43Å; L5-I7 HydrophobicContact CG-CG1 4.02Å; I7-Q482 CarbonylContact O-C 3.5Å; I7-Q482 VanDerWaalsContact O-CA 3.23Å; I7-Q482 WeakPolarHBondContact O-CA 3.33Å; I7-Q482 WeakPolarHBondContact O-CB 3.35Å; I7-I483 HydrophobicContact CB-CB 4.38Å; I7-I483 PolarHBondContact N-O 3.31Å; I7-I483 PolarHBondContact O-N 2.88Å; I7-L500 HydrophobicContact CD1-CB 4.38Å; I7-L500 HydrophobicContact CD1-CD1 3.64Å; I7-F505 HydrophobicContact CG2-CE2 3.96Å; I7-F505 HydrophobicContact CG2-CZ 3.84Å
8S85.5Confident77.2Confident67 Ų6762.2 Ų62.247%0.46933%0.333SS..EExtended strand (participates in β ladder)trans-72.6139.8177-55.80000111.8
9L86.1Confident77.2Confident1 Ų161.7 Ų61.71%0.00533%0.326CS..  trans-106.3134.2180-63.2173.2000111.2L14 V17 V41 P481 I483 F505L9-L14 HydrophobicContact CB-CB 4.3Å; L9-L14 HydrophobicContact CB-CD1 4.24Å; L9-L14 HydrophobicContact CD1-CD1 4.48Å; L9-V17 HydrophobicContact CD1-CB 4.02Å; L9-V17 HydrophobicContact CD1-CG1 3.85Å; L9-V17 HydrophobicContact CD1-CG2 4.01Å; L9-V17 HydrophobicContact CD2-CG2 3.81Å; L9-V41 HydrophobicContact CD1-CG2 3.57Å; L9-P481 HydrophobicContact CB-CB 4.22Å; L9-P481 PolarHBondContact N-O 3.45Å; L9-I483 HydrophobicContact CD1-CD1 4.49Å; L9-I483 HydrophobicContact CD1-CG1 3.86Å; L9-I483 HydrophobicContact CD2-CD1 3.95Å; L9-I483 HydrophobicContact CD2-CG1 3.98Å; L9-I483 HydrophobicContact CG-CG1 4.1Å; L9-F505 HydrophobicContact CD2-CZ 4.36Å
10H83.6Confident77.2Confident127 Ų12758.8 Ų58.859%0.58831%0.31SS*.  trans-142142.1-177.1-56.4-56000110.6A12 S13 L14H10-A12 PolarHBondContact O-N 3.06Å; H10-S13 PolarHBondContact N-OG 3.04Å; H10-S13 VanDerWaalsContact N-OG 3.07Å; H10-S13 PolarHBondContact O-N 3.02Å; H10-S13 PolarHBondContact O-OG 3.5Å; H10-L14 PolarHBondContact O-N 3.25Å
11E81.5Confident77.2Confident180 Ų18056.1 Ų56.184%0.84130%0.297SS*.Hα-helixtrans44.9-108171.5-59.7-178.6172.900114.3L14 S15E11-L14 WeakPolarHBondContact O-CB 3.19Å; E11-L14 PolarHBondContact O-N 3.37Å; E11-S15 PolarHBondContact O-N 3.26Å; E11-S15 VanDerWaalsContact O-N 3.07Å
12A80.8Confident79Confident38 Ų3848.2 Ų48.231%0.31427%0.268SS..Hα-helixtrans-64.1-41.3-177.900000113.2H10 L14 S15 I16 E558H10-A12 PolarHBondContact O-N 3.06Å; A12-L14 VanDerWaalsContact C-N 3.29Å; A12-L14 PolarHBondContact O-N 3.25Å; A12-S15 PolarHBondContact O-N 3.28Å; A12-I16 WeakPolarHBondContact O-CD1 3.14Å; A12-I16 VanDerWaalsContact O-CG1 3.26Å; A12-I16 WeakPolarHBondContact O-CG1 3.48Å; A12-I16 PolarHBondContact O-N 3.35Å; A12-E558 HydrophobicContact CB-CG 4.14Å
13S83.8Confident80.6Confident4 Ų444.7 Ų44.73%0.02824%0.237CC..Hα-helixtrans-67.9-33.6179.264.50000111.5H10 V17 F505H10-S13 PolarHBondContact N-OG 3.04Å; H10-S13 VanDerWaalsContact N-OG 3.07Å; H10-S13 PolarHBondContact O-N 3.02Å; H10-S13 PolarHBondContact O-OG 3.5Å; S13-V17 WeakPolarHBondContact O-CB 3.25Å; S13-V17 WeakPolarHBondContact O-CG2 3.43Å; S13-V17 PolarHBondContact O-N 3.07Å; S13-F505 VanDerWaalsContact CB-CE1 3.5Å; S13-F505 VanDerWaalsContact OG-CE1 3.29Å; S13-F505 WeakPolarHBondContact OG-CE1 3.45Å
14L84.6Confident81.4Confident26 Ų2642.7 Ų42.714%0.13623%0.227CC..Hα-helixtrans-63.8-45.8170.9-178.261.1000111.2L9 H10 E11 A12 V17 R18 V41 P481L9-L14 HydrophobicContact CB-CB 4.3Å; L9-L14 HydrophobicContact CB-CD1 4.24Å; L9-L14 HydrophobicContact CD1-CD1 4.48Å; H10-L14 PolarHBondContact O-N 3.25Å; E11-L14 WeakPolarHBondContact O-CB 3.19Å; E11-L14 PolarHBondContact O-N 3.37Å; A12-L14 VanDerWaalsContact C-N 3.29Å; A12-L14 PolarHBondContact O-N 3.25Å; L14-V17 PolarHBondContact O-N 2.68Å; L14-R18 HydrophobicContact CD1-CG 4.5Å; L14-R18 VanDerWaalsContact O-CB 3.29Å; L14-R18 WeakPolarHBondContact O-CB 3.23Å; L14-R18 WeakPolarHBondContact O-CG 3.36Å; L14-R18 PolarHBondContact O-N 3.15Å; L14-V41 HydrophobicContact CD1-CB 4.15Å; L14-V41 HydrophobicContact CD1-CG1 3.73Å; L14-V41 HydrophobicContact CD1-CG2 3.55Å; L14-P481 HydrophobicContact CD1-CB 3.67Å; L14-P481 HydrophobicContact CD1-CG 4.22Å; L14-P481 HydrophobicContact CD2-CG 4.36Å
15S82.9Confident81.6Confident32 Ų3239.6 Ų39.622%0.22422%0.217CC..Hα-helixtrans-62.3-42.3177.2-175.40000112.8E11 A12 R18 R19E11-S15 PolarHBondContact O-N 3.26Å; E11-S15 VanDerWaalsContact O-N 3.07Å; A12-S15 PolarHBondContact O-N 3.28Å; S15-R18 WeakPolarHBondContact O-CB 3.27Å; S15-R18 PolarHBondContact O-N 3.5Å; S15-R19 WeakPolarHBondContact O-CG 3.43Å; S15-R19 PolarHBondContact O-N 3.34Å
16I84.3Confident81.4Confident6 Ų642.6 Ų42.63%0.03123%0.231CC..Hα-helixtrans-63.8-49.2177.2-65.7160.3000110.4A12 R18 R19 C20 L504 E558 A561 V562 L565A12-I16 WeakPolarHBondContact O-CD1 3.14Å; A12-I16 VanDerWaalsContact O-CG1 3.26Å; A12-I16 WeakPolarHBondContact O-CG1 3.48Å; A12-I16 PolarHBondContact O-N 3.35Å; I16-R18 VanDerWaalsContact C-N 3.3Å; I16-R18 PolarHBondContact O-N 3.03Å; I16-R19 PolarHBondContact O-N 2.78Å; I16-C20 PolarHBondContact O-N 2.83Å; I16-L504 HydrophobicContact CB-CD2 4.28Å; I16-L504 HydrophobicContact CG2-CD2 3.54Å; I16-E558 HydrophobicContact CG1-CB 4.23Å; I16-E558 HydrophobicContact CG1-CG 4.48Å; I16-A561 HydrophobicContact CD1-CB 3.69Å; I16-A561 HydrophobicContact CG1-CB 4.24Å; I16-A561 HydrophobicContact CG2-CB 4.5Å; I16-V562 HydrophobicContact CB-CG2 4.47Å; I16-V562 HydrophobicContact CG1-CG2 4.38Å; I16-V562 HydrophobicContact CG2-CG2 4.11Å; I16-L565 HydrophobicContact CG2-CD1 3.62Å
17V83.1Confident81.4Confident0 Ų039 Ų390%021%0.212CC..Hα-helixtrans-63.7-36.9179.1174.50000111.3L9 S13 L14 R19 C20 G21 L24 I38 I483 L504L9-V17 HydrophobicContact CD1-CB 4.02Å; L9-V17 HydrophobicContact CD1-CG1 3.85Å; L9-V17 HydrophobicContact CD1-CG2 4.01Å; L9-V17 HydrophobicContact CD2-CG2 3.81Å; S13-V17 WeakPolarHBondContact O-CB 3.25Å; S13-V17 WeakPolarHBondContact O-CG2 3.43Å; S13-V17 PolarHBondContact O-N 3.07Å; L14-V17 PolarHBondContact O-N 2.68Å; V17-R19 PolarHBondContact O-N 3.1Å; V17-R19 VanDerWaalsContact O-N 3.15Å; V17-C20 PolarHBondContact O-N 3.14Å; V17-G21 VanDerWaalsContact O-CA 3.25Å; V17-G21 WeakPolarHBondContact O-CA 3.22Å; V17-G21 PolarHBondContact O-N 2.72Å; V17-L24 HydrophobicContact CG2-CD2 3.96Å; V17-I38 HydrophobicContact CG1-CD1 3.77Å; V17-I38 HydrophobicContact CG1-CG1 4.32Å; V17-I38 HydrophobicContact CG1-CG2 3.84Å; V17-I483 HydrophobicContact CG2-CD1 3.99Å; V17-L504 HydrophobicContact CG2-CD1 4.05Å; V17-L504 HydrophobicContact CG2-CD2 4.26Å
18R79.8Confident81.4Confident68 Ų6838 Ų3826%0.25721%0.207SC..Hα-helixtrans-57.9-25.6172.7-84.5-177177.2163.47.7114L14 S15 I16 V41 E42 N43 E44 S45L14-R18 HydrophobicContact CD1-CG 4.5Å; L14-R18 VanDerWaalsContact O-CB 3.29Å; L14-R18 WeakPolarHBondContact O-CB 3.23Å; L14-R18 WeakPolarHBondContact O-CG 3.36Å; L14-R18 PolarHBondContact O-N 3.15Å; S15-R18 WeakPolarHBondContact O-CB 3.27Å; S15-R18 PolarHBondContact O-N 3.5Å; I16-R18 VanDerWaalsContact C-N 3.3Å; I16-R18 PolarHBondContact O-N 3.03Å; R18-V41 HydrophobicContact CB-CG1 4.36Å; R18-V41 HydrophobicContact CG-CG1 3.34Å; R18-E42 WeakPolarHBondContact CD-O 3.39Å; R18-E42 WeakPolarHBondContact CG-O 3.47Å; R18-E42 PolarHBondContact NE-O 3.28Å; R18-E42 VanDerWaalsContact NE-O 3.1Å; R18-N43 WeakPolarHBondContact CA-OD1 3.5Å; R18-N43 WeakPolarHBondContact O-CB 3.38Å; R18-N43 PolarHBondContact O-OD1 3.22Å; R18-E44 HydrophobicContact CB-CB 4.2Å; R18-E44 IonicContact CZ-OE1 3.97Å; R18-E44 IonicContact NH1-OE1 2.64Å; R18-E44 PolarHBondContact NH1-OE1 2.95Å; R18-E44 PolarHBondContact O-N 3.17Å; R18-S45 WeakPolarHBondContact O-CB 3.13Å; R18-S45 PolarHBondContact O-N 2.95Å; R18-S45 PolarHBondContact O-OG 2.78Å
19R77.5Confident81.3Confident53 Ų5338.6 Ų38.620%0.221%0.205CC..Hα-helixtrans-98.7-31.7-176.2-69.6169.960.1173.61.9113.2S15 I16 V17 E559 V562S15-R19 WeakPolarHBondContact O-CG 3.43Å; S15-R19 PolarHBondContact O-N 3.34Å; I16-R19 PolarHBondContact O-N 2.78Å; V17-R19 PolarHBondContact O-N 3.1Å; V17-R19 VanDerWaalsContact O-N 3.15Å; R19-E559 IonicContact CZ-OE1 2.88Å; R19-E559 VanDerWaalsContact CZ-OE1 3.24Å; R19-E559 IonicContact CZ-OE2 3Å; R19-E559 IonicContact NH1-OE1 3.47Å; R19-E559 PolarHBondContact NH1-OE1 2.97Å; R19-E559 IonicContact NH1-OE2 2.98Å; R19-E559 IonicContact NH2-OE1 3.51Å; R19-E559 PolarHBondContact NH2-OE1 3.03Å; R19-E559 IonicContact NH2-OE2 2.69Å; R19-E559 PolarHBondContact NH2-OE2 3.28Å; R19-V562 HydrophobicContact CB-CG2 4.2Å
20C77.8Confident81.1Confident2 Ų239.9 Ų39.91%0.01421%0.213CC..Hα-helixtrans-129.416.3-170-71.80000113.9I16 V17 A22 D23 L24 L565I16-C20 PolarHBondContact O-N 2.83Å; V17-C20 PolarHBondContact O-N 3.14Å; C20-A22 VanDerWaalsContact C-N 3.3Å; C20-A22 PolarHBondContact O-N 2.94Å; C20-D23 PolarHBondContact O-N 3.09Å; C20-L24 VanDerWaalsContact O-CB 3.3Å; C20-L24 WeakPolarHBondContact O-CB 3.23Å; C20-L24 PolarHBondContact O-N 2.9Å; C20-L565 HydrophobicContact CB-CB 4.42Å; C20-L565 HydrophobicContact CB-CD1 3.97Å
21G77.1Confident81.1Confident3 Ų334.6 Ų34.63%0.03119%0.189CC..Hα-helixtrans-57.8-36.7-17300000114.8V17 L24 C25V17-G21 VanDerWaalsContact O-CA 3.25Å; V17-G21 WeakPolarHBondContact O-CA 3.22Å; V17-G21 PolarHBondContact O-N 2.72Å; G21-L24 WeakPolarHBondContact O-CB 3.41Å; G21-L24 PolarHBondContact O-N 2.69Å; G21-C25 PolarHBondContact O-N 3.47Å; G21-C25 PolarHBondContact O-SG 3.05Å; G21-C25 VanDerWaalsContact O-SG 3.35Å
22A72.1Confident81.2Confident64 Ų6427.3 Ų27.353%0.52915%0.154SC..Hα-helixtrans-68.9-47.8177.500000112.2C20 L24 C25 E26C20-A22 VanDerWaalsContact C-N 3.3Å; C20-A22 PolarHBondContact O-N 2.94Å; A22-L24 PolarHBondContact O-N 2.86Å; A22-C25 PolarHBondContact O-N 3.18Å; A22-E26 PolarHBondContact O-N 3.19Å
23D77.8Confident80.9Confident9 Ų927.1 Ų27.15%0.04816%0.156CC..Hα-helixtrans-57.9-43174.2-62.6-29.2000110.2C20 C25 E26 I27 Y49 A569C20-D23 PolarHBondContact O-N 3.09Å; D23-C25 PolarHBondContact O-N 2.78Å; D23-E26 PolarHBondContact O-N 3.26Å; D23-I27 HydrophobicContact CB-CD1 4.4Å; D23-I27 WeakPolarHBondContact O-CB 3.36Å; D23-I27 VanDerWaalsContact O-CD1 3.31Å; D23-I27 WeakPolarHBondContact O-CD1 3.11Å; D23-I27 WeakPolarHBondContact O-CG1 3.35Å; D23-I27 PolarHBondContact O-N 3.3Å; D23-Y49 WeakPolarHBondContact OD1-CE1 3.46Å; D23-Y49 WeakPolarHBondContact OD2-CD2 3.23Å; D23-Y49 WeakPolarHBondContact OD2-CE2 3.09Å; D23-A569 HydrophobicContact CB-CB 3.97Å
24L83.6Confident80.8Confident1 Ų126.9 Ų26.91%0.00516%0.155CC..Hα-helixtrans-59.2-47.7179-17168.1000111.7V17 C20 G21 A22 E26 I27 I28 I483 W499 L500 L504 L565V17-L24 HydrophobicContact CG2-CD2 3.96Å; C20-L24 VanDerWaalsContact O-CB 3.3Å; C20-L24 WeakPolarHBondContact O-CB 3.23Å; C20-L24 PolarHBondContact O-N 2.9Å; G21-L24 WeakPolarHBondContact O-CB 3.41Å; G21-L24 PolarHBondContact O-N 2.69Å; A22-L24 PolarHBondContact O-N 2.86Å; L24-E26 VanDerWaalsContact C-N 3.32Å; L24-E26 PolarHBondContact O-N 2.92Å; L24-I27 PolarHBondContact O-N 2.99Å; L24-I28 HydrophobicContact CD1-CD1 4.4Å; L24-I28 HydrophobicContact CG-CD1 3.91Å; L24-I28 WeakPolarHBondContact O-CB 3.28Å; L24-I28 WeakPolarHBondContact O-CD1 3.49Å; L24-I28 WeakPolarHBondContact O-CG1 3.12Å; L24-I28 PolarHBondContact O-N 2.82Å; L24-I483 HydrophobicContact CD2-CD1 3.75Å; L24-W499 HydrophobicContact CD1-CH2 4.31Å; L24-W499 HydrophobicContact CD1-CZ3 3.84Å; L24-L500 HydrophobicContact CD1-CD2 3.62Å; L24-L500 HydrophobicContact CD2-CD2 4.23Å; L24-L500 HydrophobicContact CG-CD2 4.17Å; L24-L504 HydrophobicContact CD2-CD1 4.03Å; L24-L504 HydrophobicContact CD2-CD2 4.5Å; L24-L565 HydrophobicContact CD1-CD1 4.35Å; L24-L565 HydrophobicContact CD1-CD2 3.76Å
25C80.2Confident80.6Confident35 Ų3529.9 Ų29.924%0.23617%0.174CC..Hα-helixtrans-61.3-41.3175.8-69.90000112.1G21 A22 D23 N29 A36G21-C25 PolarHBondContact O-N 3.47Å; G21-C25 PolarHBondContact O-SG 3.05Å; G21-C25 VanDerWaalsContact O-SG 3.35Å; A22-C25 PolarHBondContact O-N 3.18Å; D23-C25 PolarHBondContact O-N 2.78Å; C25-N29 WeakPolarHBondContact O-CB 3.38Å; C25-N29 PolarHBondContact O-N 3.2Å; C25-N29 VanDerWaalsContact O-N 3.11Å; C25-A36 HydrophobicContact CB-CB 4.36Å; C25-A36 PolarHBondContact SG-O 3.39Å
26E78.1Confident80.4Confident83 Ų8329.1 Ų29.139%0.38817%0.169SC..Hα-helixtrans-65.4-43.6178.1-179.2165.8-168.600112.1A22 D23 L24 N29 S30 K576A22-E26 PolarHBondContact O-N 3.19Å; D23-E26 PolarHBondContact O-N 3.26Å; L24-E26 VanDerWaalsContact C-N 3.32Å; L24-E26 PolarHBondContact O-N 2.92Å; E26-N29 PolarHBondContact O-N 3.38Å; E26-S30 VanDerWaalsContact O-CB 3.25Å; E26-S30 WeakPolarHBondContact O-CB 3.42Å; E26-S30 PolarHBondContact O-N 2.94Å; E26-K576 IonicContact OE1-NZ 3.72Å; E26-K576 PolarHBondContact OE1-NZ 2.8Å
27I85.6Confident80.1Confident0 Ų031 Ų310%019%0.186CC..Hα-helixtrans-63.3-46.9178.1-65156.8000110.3D23 L24 N29 S30 K31 W499 L565 E568 A569D23-I27 HydrophobicContact CB-CD1 4.4Å; D23-I27 WeakPolarHBondContact O-CB 3.36Å; D23-I27 VanDerWaalsContact O-CD1 3.31Å; D23-I27 WeakPolarHBondContact O-CD1 3.11Å; D23-I27 WeakPolarHBondContact O-CG1 3.35Å; D23-I27 PolarHBondContact O-N 3.3Å; L24-I27 PolarHBondContact O-N 2.99Å; I27-N29 VanDerWaalsContact C-N 3.3Å; I27-N29 PolarHBondContact O-N 3.41Å; I27-S30 PolarHBondContact O-N 2.73Å; I27-K31 HydrophobicContact CG2-CD 3.71Å; I27-K31 HydrophobicContact CG2-CG 4.09Å; I27-K31 WeakPolarHBondContact O-CB 3.21Å; I27-K31 PolarHBondContact O-N 2.96Å; I27-W499 HydrophobicContact CB-CH2 4.24Å; I27-W499 HydrophobicContact CD1-CH2 4.3Å; I27-W499 HydrophobicContact CG2-CH2 3.41Å; I27-W499 VanDerWaalsContact CG2-CH2 3.41Å; I27-W499 HydrophobicContact CG2-CZ2 3.63Å; I27-W499 HydrophobicContact CG2-CZ3 4.12Å; I27-L565 HydrophobicContact CD1-CD2 4.25Å; I27-L565 VanDerWaalsContact CD1-O 3.29Å; I27-L565 WeakPolarHBondContact CD1-O 3.41Å; I27-E568 HydrophobicContact CD1-CB 3.87Å; I27-E568 HydrophobicContact CG1-CB 4.28Å; I27-E568 HydrophobicContact CG2-CB 4.45Å; I27-A569 HydrophobicContact CD1-CB 4.11Å; I27-A569 HydrophobicContact CG1-CB 4.22Å
28I84.3Confident80Confident0 Ų033.4 Ų33.40%020%0.198CC..Hα-helixtrans-59.5-44.4-179.6-68.3162.3000110.6L24 F32 C34 A36 L485 L500L24-I28 HydrophobicContact CD1-CD1 4.4Å; L24-I28 HydrophobicContact CG-CD1 3.91Å; L24-I28 WeakPolarHBondContact O-CB 3.28Å; L24-I28 WeakPolarHBondContact O-CD1 3.49Å; L24-I28 WeakPolarHBondContact O-CG1 3.12Å; L24-I28 PolarHBondContact O-N 2.82Å; I28-F32 HydrophobicContact CG2-CD2 4.5Å; I28-F32 WeakPolarHBondContact O-CB 3.43Å; I28-F32 PolarHBondContact O-N 2.92Å; I28-C34 HydrophobicContact CG2-CB 3.65Å; I28-A36 HydrophobicContact CB-CB 4.4Å; I28-A36 HydrophobicContact CD1-CB 3.67Å; I28-A36 HydrophobicContact CG2-CB 4.29Å; I28-L485 HydrophobicContact CD1-CD2 4Å; I28-L485 HydrophobicContact CG2-CD2 4.17Å; I28-L500 HydrophobicContact CD1-CD1 4.01Å; I28-L500 HydrophobicContact CD1-CD2 3.92Å; I28-L500 HydrophobicContact CD1-CG 4.41Å; I28-L500 HydrophobicContact CG1-CD2 4.27Å
29N82.9Confident79.8Confident79 Ų7934 Ų3442%0.42220%0.204SC..Hα-helixtrans-66-45.4176.6-177.962.8000111.7C25 E26 I27 G33 C34C25-N29 WeakPolarHBondContact O-CB 3.38Å; C25-N29 PolarHBondContact O-N 3.2Å; C25-N29 VanDerWaalsContact O-N 3.11Å; E26-N29 PolarHBondContact O-N 3.38Å; I27-N29 VanDerWaalsContact C-N 3.3Å; I27-N29 PolarHBondContact O-N 3.41Å; N29-G33 WeakPolarHBondContact O-CA 3.13Å; N29-G33 PolarHBondContact O-N 3.15Å; N29-C34 WeakPolarHBondContact CA-O 3.27Å; N29-C34 PolarHBondContact N-O 3.02Å
30S80.8Confident79.1Confident27 Ų2733.2 Ų33.219%0.18921%0.212CC..Hα-helixtrans-68.2-37.6-176.3-160.10000113.3E26 I27 K576E26-S30 VanDerWaalsContact O-CB 3.25Å; E26-S30 WeakPolarHBondContact O-CB 3.42Å; E26-S30 PolarHBondContact O-N 2.94Å; I27-S30 PolarHBondContact O-N 2.73Å; S30-K576 VanDerWaalsContact OG-CE 3.31Å; S30-K576 WeakPolarHBondContact OG-CE 3.45Å
31K83.9Confident78.5Confident17 Ų1734.3 Ų34.37%0.07422%0.219CC..Hα-helixtrans-87.6-34.7-176.3-69.7-170.1176.5-127.60113.5I27 E568 Q670I27-K31 HydrophobicContact CG2-CD 3.71Å; I27-K31 HydrophobicContact CG2-CG 4.09Å; I27-K31 WeakPolarHBondContact O-CB 3.21Å; I27-K31 PolarHBondContact O-N 2.96Å; K31-E568 WeakPolarHBondContact CE-OE2 3.07Å; K31-E568 VanDerWaalsContact NZ-CD 3.29Å; K31-E568 IonicContact NZ-OE1 2.65Å; K31-E568 PolarHBondContact NZ-OE1 3.1Å; K31-E568 IonicContact NZ-OE2 3.17Å; K31-E568 PolarHBondContact NZ-OE2 2.89Å; K31-Q670 HydrophobicContact CB-CB 4.3Å; K31-Q670 HydrophobicContact CG-CB 4.3Å
32F83.4Confident77.3Confident26 Ų2642.2 Ų42.211%0.11426%0.255CS..Hα-helixtrans-122.4-7.3-169.4-49.2-67.2000113.7I28 C34 S492 E495 A496 W499I28-F32 HydrophobicContact CG2-CD2 4.5Å; I28-F32 WeakPolarHBondContact O-CB 3.43Å; I28-F32 PolarHBondContact O-N 2.92Å; F32-C34 HydrophobicContact CB-CB 4.47Å; F32-C34 PolarHBondContact O-N 3.43Å; F32-S492 WeakPolarHBondContact O-CB 3.34Å; F32-E495 HydrophobicContact CD1-CB 4.02Å; F32-E495 HydrophobicContact CE1-CB 4.03Å; F32-A496 HydrophobicContact CB-CB 4.11Å; F32-A496 HydrophobicContact CD2-CB 3.79Å; F32-A496 HydrophobicContact CE2-CB 4.4Å; F32-A496 HydrophobicContact CG-CB 3.91Å; F32-W499 HydrophobicContact CE1-CB 4.42Å; F32-W499 HydrophobicContact CE2-CB 3.9Å; F32-W499 AromaticContact CE2-CD2 3.98Å; F32-W499 HydrophobicContact CE2-CD2 3.98Å; F32-W499 HydrophobicContact CE2-CE3 4.16Å; F32-W499 AromaticContact CE2-CG 3.88Å; F32-W499 HydrophobicContact CE2-CG 3.88Å; F32-W499 HydrophobicContact CZ-CB 3.47Å; F32-W499 VanDerWaalsContact CZ-CB 3.47Å; F32-W499 AromaticContact CZ-CD1 3.91Å; F32-W499 HydrophobicContact CZ-CD2 4.1Å; F32-W499 AromaticContact CZ-CG 3.53Å; F32-W499 HydrophobicContact CZ-CG 3.53Å
33G76.2Confident75.8Confident34 Ų3442.6 Ų42.635%0.35125%0.248SC..  trans6513.3-173.200000113.7N29 P488N29-G33 WeakPolarHBondContact O-CA 3.13Å; N29-G33 PolarHBondContact O-N 3.15Å; G33-P488 WeakPolarHBondContact O-CD 3.5Å
34C81Confident73.9Confident0 Ų047.5 Ų47.50%027%0.271CS..PPolyproline II helixtrans-86.6141.5177-66.10000110.4I28 N29 F32 V486 C487I28-C34 HydrophobicContact CG2-CB 3.65Å; N29-C34 WeakPolarHBondContact CA-O 3.27Å; N29-C34 PolarHBondContact N-O 3.02Å; F32-C34 HydrophobicContact CB-CB 4.47Å; F32-C34 PolarHBondContact O-N 3.43Å; C34-V486 CarbonylContact C-O 3.52Å; C34-V486 WeakPolarHBondContact CA-O 3.11Å; C34-C487 HydrophobicContact CB-CB 4.18Å; C34-C487 WeakPolarHBondContact CB-SG 3.19Å; C34-C487 VanDerWaalsContact SG-CA 3.54Å; C34-C487 WeakPolarHBondContact SG-CB 3.49Å; C34-C487 CovalentContact SG-SG 2.06Å; C34-C487 PolarHBondContact SG-SG 3.16Å
35V79.5Confident71.5Confident89 Ų8948.9 Ų48.954%0.53928%0.28SS..EExtended strand (participates in β ladder)trans-94.1120.6173.7-178.40000108.7L485 V486V35-L485 CarbonylContact O-C 3.5Å; V35-L485 WeakPolarHBondContact O-CA 3.3Å; V35-V486 HydrophobicContact CB-CB 4.45Å; V35-V486 PolarHBondContact N-O 2.85Å; V35-V486 PolarHBondContact O-N 2.86Å
36A80.2Confident69.1Low15 Ų1558.2 Ų58.212%0.12431%0.311CS..EExtended strand (participates in β ladder)trans-102.7134.6178.600000111.6C25 I28 I483 S484 L485C25-A36 HydrophobicContact CB-CB 4.36Å; C25-A36 PolarHBondContact SG-O 3.39Å; I28-A36 HydrophobicContact CB-CB 4.4Å; I28-A36 HydrophobicContact CD1-CB 3.67Å; I28-A36 HydrophobicContact CG2-CB 4.29Å; A36-I483 HydrophobicContact CB-CG2 4.39Å; A36-S484 CarbonylContact C-O 3.56Å; A36-S484 WeakPolarHBondContact CA-O 3.44Å; A36-L485 HydrophobicContact CB-CD2 3.4Å; A36-L485 VanDerWaalsContact CB-CD2 3.4Å
37A76.9Confident66.8Low46 Ų4659.8 Ų59.838%0.3833%0.326SS..EExtended strand (participates in β ladder)trans-120.3135.2170.300000109.1I483 S484A37-I483 CarbonylContact O-C 3.58Å; A37-I483 WeakPolarHBondContact O-CA 3.47Å; A37-S484 PolarHBondContact N-O 3.45Å; A37-S484 PolarHBondContact O-N 3.32Å
38I80.6Confident64.2Low50 Ų5064.6 Ų64.626%0.25636%0.36SS..EExtended strand (participates in β ladder)trans-111.7120.6179.5-59164.4000107.7V17 V41 Q482 I483V17-I38 HydrophobicContact CG1-CD1 3.77Å; V17-I38 HydrophobicContact CG1-CG1 4.32Å; V17-I38 HydrophobicContact CG1-CG2 3.84Å; I38-V41 HydrophobicContact CG2-CB 3.82Å; I38-V41 HydrophobicContact CG2-CG2 3.6Å; I38-Q482 WeakPolarHBondContact CA-O 2.94Å; I38-I483 HydrophobicContact CG1-CG1 4.36Å
39E75.9Confident61.5Low81 Ų8169.1 Ų69.138%0.37938%0.377SS..EExtended strand (participates in β ladder)trans-115.4149.9-177.2-62.5179.3175.300110V41 P481 Q482E39-V41 PolarHBondContact O-N 3.17Å; E39-V41 VanDerWaalsContact O-N 3.12Å; E39-P481 CarbonylContact O-C 3.48Å; E39-P481 VanDerWaalsContact O-CA 3.25Å; E39-P481 WeakPolarHBondContact O-CA 3.42Å; E39-Q482 HydrophobicContact CB-CG 4.02Å; E39-Q482 PolarHBondContact N-O 3.29Å; E39-Q482 PolarHBondContact O-N 2.85Å; E39-Q482 PolarHBondContact OE2-NE2 2.82Å
40G64Low58.8Low37 Ų3776 Ų7638%0.38140%0.398SS..SBendtrans69.86.5173.100000116.3P479G40-P479 VanDerWaalsContact CA-O 3.29Å; G40-P479 WeakPolarHBondContact CA-O 3.27Å
41V64.9Low56.3Low25 Ų2582.2 Ų82.215%0.15242%0.417CS..  trans-106.5111.4178.9-175.30000110.8L9 L14 R18 I38 E39 N43 P481L9-V41 HydrophobicContact CD1-CG2 3.57Å; L14-V41 HydrophobicContact CD1-CB 4.15Å; L14-V41 HydrophobicContact CD1-CG1 3.73Å; L14-V41 HydrophobicContact CD1-CG2 3.55Å; R18-V41 HydrophobicContact CB-CG1 4.36Å; R18-V41 HydrophobicContact CG-CG1 3.34Å; I38-V41 HydrophobicContact CG2-CB 3.82Å; I38-V41 HydrophobicContact CG2-CG2 3.6Å; E39-V41 PolarHBondContact O-N 3.17Å; E39-V41 VanDerWaalsContact O-N 3.12Å; V41-N43 PolarHBondContact O-N 2.97Å; V41-P481 HydrophobicContact CG2-CB 3.67Å
42E51.2Low53.5Low169 Ų16984.9 Ų84.979%0.7944%0.436SS*.  trans-80.4106.1165-66.7-172.9179.900109.2R18 E44R18-E42 WeakPolarHBondContact CD-O 3.39Å; R18-E42 WeakPolarHBondContact CG-O 3.47Å; R18-E42 PolarHBondContact NE-O 3.28Å; R18-E42 VanDerWaalsContact NE-O 3.1Å; E42-E44 PolarHBondContact O-N 3.09Å
43N41.5Very low50.8Low71 Ų7188.4 Ų88.438%0.3846%0.461SS..  trans-60.7121.3-177.6-82.2-11.7000112.8R18 V41 S45 R46R18-N43 WeakPolarHBondContact CA-OD1 3.5Å; R18-N43 WeakPolarHBondContact O-CB 3.38Å; R18-N43 PolarHBondContact O-OD1 3.22Å; V41-N43 PolarHBondContact O-N 2.97Å; N43-S45 PolarHBondContact O-N 2.75Å; N43-R46 PolarHBondContact O-N 2.92Å
44E36.6Very low48.6Very low113 Ų11390.4 Ų90.453%0.52848%0.475SS..SBendtrans-68.2-16.7165.3-82.8167.6-146.700111.9R18 E42 R46R18-E44 HydrophobicContact CB-CB 4.2Å; R18-E44 IonicContact CZ-OE1 3.97Å; R18-E44 IonicContact NH1-OE1 2.64Å; R18-E44 PolarHBondContact NH1-OE1 2.95Å; R18-E44 PolarHBondContact O-N 3.17Å; E42-E44 PolarHBondContact O-N 3.09Å; E44-R46 PolarHBondContact O-N 3.31Å
45S33.2Very low46.8Very low29 Ų2992.5 Ų92.520%0.20349%0.488CS..  trans-71.948.5162.267.20000112.6R18 N43 T47R18-S45 WeakPolarHBondContact O-CB 3.13Å; R18-S45 PolarHBondContact O-N 2.95Å; R18-S45 PolarHBondContact O-OG 2.78Å; N43-S45 PolarHBondContact O-N 2.75Å; S45-T47 PolarHBondContact O-N 3.18Å
46R29.6Very low45.4Very low231 Ų23189.9 Ų89.987%0.87247%0.47SS*.  trans-72.51.7152.8-105.1-178.3159.9177.4-3.2112.3N43 E44N43-R46 PolarHBondContact O-N 2.92Å; E44-R46 PolarHBondContact O-N 3.31Å
47T30.2Very low44.8Very low117 Ų11797.9 Ų97.972%0.71850%0.502SS*.SBendtrans-120.498.4159.345.20000111.1S45S45-T47 PolarHBondContact O-N 3.18Å
48S32.3Very low44.9Very low101 Ų10199.2 Ų99.271%0.70651%0.507SS*.SBendtrans61.780.215359.70000119.9
49Y25.9Very low45.4Very low94 Ų94100.4 Ų100.437%0.36951%0.511SS..SBend-105.2140.497.4-85.2-90.3000108.2D23 R51 K566D23-Y49 WeakPolarHBondContact OD1-CE1 3.46Å; D23-Y49 WeakPolarHBondContact OD2-CD2 3.23Å; D23-Y49 WeakPolarHBondContact OD2-CE2 3.09Å; Y49-R51 PolarHBondContact O-N 3.33Å; Y49-R51 VanDerWaalsContact O-N 3.12Å; Y49-K566 HydrophobicContact CE2-CG 4.48Å; Y49-K566 WeakPolarHBondContact OH-CG 3.43Å
50R27.4Very low46.2Very low225 Ų225102.3 Ų102.385%0.84952%0.515SS*.  trans-36.6114.6-179.7-78.3174.5175.4179.6-1.2111.6
51R28Very low47.2Very low157 Ų157105.2 Ų105.259%0.59251%0.514SS*.SBend-39.3142.1128.8-83.4-176.9175.1179.32.2106.6Y49 P53 T55Y49-R51 PolarHBondContact O-N 3.33Å; Y49-R51 VanDerWaalsContact O-N 3.12Å; R51-P53 VanDerWaalsContact O-CA 3.27Å; R51-P53 WeakPolarHBondContact O-CA 3.47Å; R51-T55 PolarHBondContact NH1-OG1 3.45Å
52P25.8Very low48.5Very low72 Ų72105.7 Ų105.747%0.46851%0.514SS..G310 helixtrans-42.1123.4160.522.6-31.9000106.2A54 T55P52-A54 CarbonylContact O-C 3.52Å; P52-A54 PolarHBondContact O-N 2.94Å; P52-T55 PolarHBondContact O-N 3.25Å; P52-T55 VanDerWaalsContact O-N 3.08Å
53P25.3Very low50.5Low101 Ų101102.4 Ų102.466%0.65650%0.499SS*.G310 helixtrans-35.9107.1-145.213.7-31000109.8R51 T55R51-P53 VanDerWaalsContact O-CA 3.27Å; R51-P53 WeakPolarHBondContact O-CA 3.47Å; P53-T55 PolarHBondContact O-N 2.82Å
54A30.9Very low53Low76 Ų76100.4 Ų100.463%0.62849%0.487SS*.G310 helixtrans21.783.1-173.600000112.1P52 I56P52-A54 CarbonylContact O-C 3.52Å; P52-A54 PolarHBondContact O-N 2.94Å; A54-I56 VanDerWaalsContact C-N 3.33Å; A54-I56 WeakPolarHBondContact O-CA 3.48Å; A54-I56 PolarHBondContact O-N 3.07Å
55T42.3Very low55.6Low44 Ų4499.1 Ų99.127%0.2749%0.487SS..  trans0.190.2167.936.60000108.1R51 P52 P53 K57R51-T55 PolarHBondContact NH1-OG1 3.45Å; P52-T55 PolarHBondContact O-N 3.25Å; P52-T55 VanDerWaalsContact O-N 3.08Å; P53-T55 PolarHBondContact O-N 2.82Å; T55-K57 VanDerWaalsContact C-N 3.3Å; T55-K57 WeakPolarHBondContact O-CA 3.4Å; T55-K57 PolarHBondContact O-N 2.7Å
56I49.9Very low58.3Low34 Ų3498.1 Ų98.117%0.17448%0.479CS..  trans-44.6110.7-175.1-69.7166.3000103.7A54 P58 K76 H235A54-I56 VanDerWaalsContact C-N 3.33Å; A54-I56 WeakPolarHBondContact O-CA 3.48Å; A54-I56 PolarHBondContact O-N 3.07Å; I56-P58 WeakPolarHBondContact O-CD 3.14Å; I56-K76 VanDerWaalsContact CG2-C 3.49Å; I56-K76 HydrophobicContact CG2-CB 4.19Å; I56-K76 HydrophobicContact CG2-CD 3.99Å; I56-K76 HydrophobicContact CG2-CG 3.76Å; I56-K76 WeakPolarHBondContact CG2-O 3.4Å; I56-H235 HydrophobicContact CD1-CB 3.46Å; I56-H235 VanDerWaalsContact CD1-CB 3.46Å; I56-H235 WeakPolarHBondContact CD1-O 3.36Å
57K67.3Low60.9Low182 Ų18295.9 Ų95.979%0.79147%0.47SS*.  trans-55.2115.5-174.7-97.3-169.9176.8-177.70102.8T55 E59T55-K57 VanDerWaalsContact C-N 3.3Å; T55-K57 WeakPolarHBondContact O-CA 3.4Å; T55-K57 PolarHBondContact O-N 2.7Å; K57-E59 WeakPolarHBondContact O-CB 3.42Å; K57-E59 PolarHBondContact O-N 2.89Å
58P80.9Confident63.5Low74 Ų7491.2 Ų91.248%0.48144%0.442SS..  trans-54.1112.9-169.7-30.636.9000107.8I56 W75 K76 A77 F82I56-P58 WeakPolarHBondContact O-CD 3.14Å; P58-W75 HydrophobicContact CB-CE3 3.67Å; P58-W75 HydrophobicContact CB-CZ3 3.7Å; P58-W75 WeakPolarHBondContact O-CZ3 3.26Å; P58-K76 WeakPolarHBondContact CA-O 3.42Å; P58-A77 HydrophobicContact CB-CB 4.26Å; P58-F82 HydrophobicContact CB-CD2 4.26Å; P58-F82 HydrophobicContact CB-CE2 4.03Å; P58-F82 HydrophobicContact CG-CD2 4.35Å
59E89.6Confident66.1Low76 Ų7688.9 Ų88.936%0.35543%0.434SS..EExtended strand (participates in β ladder)trans-112.8106.6-171.5-177.4179.6-171.500107.1K57 R61 W75 K76K57-E59 WeakPolarHBondContact O-CB 3.42Å; K57-E59 PolarHBondContact O-N 2.89Å; E59-R61 VanDerWaalsContact CD-NH1 3.32Å; E59-R61 PolarHBondContact O-N 3.42Å; E59-R61 IonicContact OE1-CZ 2.76Å; E59-R61 IonicContact OE1-NE 3.24Å; E59-R61 IonicContact OE1-NH1 3.74Å; E59-R61 PolarHBondContact OE1-NH1 2.83Å; E59-R61 IonicContact OE1-NH2 2.71Å; E59-R61 PolarHBondContact OE1-NH2 3.26Å; E59-R61 IonicContact OE2-CZ 3.71Å; E59-R61 IonicContact OE2-NE 2.67Å; E59-R61 IonicContact OE2-NH1 2.99Å; E59-R61 IonicContact OE2-NH2 2.79Å; E59-R61 PolarHBondContact OE2-NH2 3Å; E59-W75 WeakPolarHBondContact O-CA 3.5Å; E59-K76 HydrophobicContact CB-CB 4.27Å; E59-K76 PolarHBondContact N-O 3.26Å; E59-K76 PolarHBondContact O-N 3.03Å
60R93.3Very high69.3Low121 Ų12184.4 Ų84.446%0.45742%0.417SS..EExtended strand (participates in β ladder)trans-73.1117.8173.9-168.5172.765-156.89.8109E63 V74 W75R60-E63 IonicContact CZ-OE2 2.66Å; R60-E63 IonicContact NE-OE2 2.72Å; R60-E63 PolarHBondContact NE-OE2 3.25Å; R60-E63 IonicContact NH1-OE2 3.03Å; R60-E63 PolarHBondContact NH1-OE2 3.18Å; R60-E63 IonicContact NH2-OE2 3.58Å; R60-E63 PolarHBondContact NH2-OE2 3.44Å; R60-V74 CarbonylContact C-O 3.48Å; R60-V74 WeakPolarHBondContact CA-O 3.46Å; R60-W75 HydrophobicContact CB-CD2 3.89Å; R60-W75 HydrophobicContact CB-CE3 3.93Å; R60-W75 HydrophobicContact CB-CH2 3.81Å; R60-W75 HydrophobicContact CB-CZ2 3.75Å; R60-W75 HydrophobicContact CB-CZ3 3.88Å; R60-W75 HydrophobicContact CG-CD2 4.26Å; R60-W75 HydrophobicContact CG-CH2 4.47Å; R60-W75 HydrophobicContact CG-CZ2 3.92Å
61R85.4Confident72.6Confident97 Ų9776.3 Ų76.337%0.36639%0.388SS..EExtended strand (participates in β ladder)trans-95.2-32.7179.3-67.2-67.2-163.7-163.7-10.4112.7E59 V74 D237 V240E59-R61 VanDerWaalsContact CD-NH1 3.32Å; E59-R61 PolarHBondContact O-N 3.42Å; E59-R61 IonicContact OE1-CZ 2.76Å; E59-R61 IonicContact OE1-NE 3.24Å; E59-R61 IonicContact OE1-NH1 3.74Å; E59-R61 PolarHBondContact OE1-NH1 2.83Å; E59-R61 IonicContact OE1-NH2 2.71Å; E59-R61 PolarHBondContact OE1-NH2 3.26Å; E59-R61 IonicContact OE2-CZ 3.71Å; E59-R61 IonicContact OE2-NE 2.67Å; E59-R61 IonicContact OE2-NH1 2.99Å; E59-R61 IonicContact OE2-NH2 2.79Å; E59-R61 PolarHBondContact OE2-NH2 3Å; R61-V74 PolarHBondContact N-O 3.11Å; R61-D237 IonicContact NH2-OD1 3.39Å; R61-V240 HydrophobicContact CB-CG1 4.3Å; R61-V240 HydrophobicContact CG-CG1 3.65Å
62Y92Very high75.9Confident36 Ų3668.9 Ų68.914%0.14136%0.36CS..EExtended strand (participates in β ladder)trans-146149.6-175.2-175.9-90.2000110.3F64 S73 V74 E244 C247 S248 F251Y62-F64 HydrophobicContact CE1-CB 3.58Å; Y62-S73 CarbonylContact O-C 3.56Å; Y62-S73 WeakPolarHBondContact O-CA 3.45Å; Y62-S73 WeakPolarHBondContact O-CB 3.32Å; Y62-V74 HydrophobicContact CD1-CG2 4.22Å; Y62-V74 HydrophobicContact CG-CG2 4.4Å; Y62-V74 PolarHBondContact N-O 3.38Å; Y62-V74 PolarHBondContact O-N 3.34Å; Y62-E244 HydrophobicContact CD2-CG 4.36Å; Y62-C247 HydrophobicContact CD1-CB 3.65Å; Y62-C247 HydrophobicContact CE1-CB 3.43Å; Y62-C247 VanDerWaalsContact CE1-CB 3.43Å; Y62-C247 HydrophobicContact CG-CB 4.31Å; Y62-S248 WeakPolarHBondContact CE2-OG 3.3Å; Y62-F251 HydrophobicContact CE1-CD2 4.42Å
63E93.9Very high79.3Confident100 Ų10065.4 Ų65.447%0.46734%0.337SS..EExtended strand (participates in β ladder)trans-145.7145.516965.8-179.6-151.300110.9R60 V72R60-E63 IonicContact CZ-OE2 2.66Å; R60-E63 IonicContact NE-OE2 2.72Å; R60-E63 PolarHBondContact NE-OE2 3.25Å; R60-E63 IonicContact NH1-OE2 3.03Å; R60-E63 PolarHBondContact NH1-OE2 3.18Å; R60-E63 IonicContact NH2-OE2 3.58Å; R60-E63 PolarHBondContact NH2-OE2 3.44Å; E63-V72 CarbonylContact C-O 3.54Å; E63-V72 WeakPolarHBondContact CA-O 3.4Å
64F92.4Very high82.7Confident29 Ų2960.6 Ų60.613%0.12731%0.306CS..EExtended strand (participates in β ladder)trans-151.7138.4174.2-178.1-97.4000110.2Y62 M66 K71 V72 F251 Q254Y62-F64 HydrophobicContact CE1-CB 3.58Å; F64-M66 HydrophobicContact CD1-CG 4.15Å; F64-M66 HydrophobicContact CE1-CG 4.13Å; F64-K71 CarbonylContact O-C 3.54Å; F64-K71 WeakPolarHBondContact O-CA 3.38Å; F64-V72 PolarHBondContact N-O 3.45Å; F64-V72 PolarHBondContact O-N 2.96Å; F64-F251 HydrophobicContact CB-CB 4.4Å; F64-F251 HydrophobicContact CB-CD2 4.3Å; F64-F251 HydrophobicContact CB-CG 4.47Å; F64-F251 HydrophobicContact CD1-CB 3.62Å; F64-F251 AromaticContact CD1-CD1 3.67Å; F64-F251 HydrophobicContact CD1-CD1 3.67Å; F64-F251 HydrophobicContact CD1-CD2 4.01Å; F64-F251 HydrophobicContact CD1-CE1 4.32Å; F64-F251 AromaticContact CD1-CG 3.51Å; F64-F251 HydrophobicContact CD1-CG 3.51Å; F64-F251 HydrophobicContact CD2-CB 3.86Å; F64-F251 HydrophobicContact CE1-CB 3.73Å; F64-F251 AromaticContact CE1-CD1 3.62Å; F64-F251 HydrophobicContact CE1-CD1 3.62Å; F64-F251 HydrophobicContact CE1-CE1 4.41Å; F64-F251 AromaticContact CE1-CG 3.8Å; F64-F251 HydrophobicContact CE1-CG 3.8Å; F64-F251 HydrophobicContact CE2-CB 3.97Å; F64-F251 HydrophobicContact CG-CB 3.69Å; F64-F251 HydrophobicContact CG-CD2 4.27Å; F64-F251 AromaticContact CG-CG 3.96Å; F64-F251 HydrophobicContact CG-CG 3.96Å; F64-F251 HydrophobicContact CZ-CB 3.91Å; F64-F251 HydrophobicContact CZ-CD1 4.46Å; F64-F251 HydrophobicContact CZ-CG 4.47Å; F64-Q254 HydrophobicContact CZ-CB 4.17Å
65T92.4Very high85.8Confident86 Ų8658.9 Ų58.953%0.52828%0.283SS..EExtended strand (participates in β ladder)trans-103.9118.5173.4-56.60000109.2
66M88.8Confident88.2Confident7 Ų758.7 Ų58.73%0.03428%0.279CS..  trans-70.4161.5177.1-64.8-178.159.700111.6F64 S68 G69 V70 V72 K214 F251F64-M66 HydrophobicContact CD1-CG 4.15Å; F64-M66 HydrophobicContact CE1-CG 4.13Å; M66-S68 WeakPolarHBondContact CB-OG 3.35Å; M66-S68 PolarHBondContact O-N 2.8Å; M66-S68 VanDerWaalsContact O-N 3.14Å; M66-G69 PolarHBondContact O-N 3.17Å; M66-V70 PolarHBondContact N-O 2.94Å; M66-V72 HydrophobicContact CG-CG2 4.4Å; M66-V72 HydrophobicContact SD-CG2 4.1Å; M66-K214 HydrophobicContact CE-CB 4.31Å; M66-K214 HydrophobicContact CE-CG 4.1Å; M66-F251 HydrophobicContact CE-CE1 4.45Å; M66-F251 HydrophobicContact CG-CE1 3.98Å; M66-F251 HydrophobicContact CG-CZ 4.44Å; M66-F251 HydrophobicContact SD-CE1 4.03Å; M66-F251 HydrophobicContact SD-CZ 4.25Å
67R85.6Confident90.1Very high185 Ų18557 Ų5770%0.69827%0.27SS*.THydrogen-bonded Turntrans-58-26.5174.6-64.5-176.8-175.7-179-0.4113.3G69R67-G69 PolarHBondContact O-N 2.85Å
68S84Confident91.2Very high18 Ų1849.6 Ų49.613%0.12624%0.239CC..THydrogen-bonded Turntrans-66.7-12.7174.459.80000113.9M66 V70 R226M66-S68 WeakPolarHBondContact CB-OG 3.35Å; M66-S68 PolarHBondContact O-N 2.8Å; M66-S68 VanDerWaalsContact O-N 3.14Å; S68-V70 VanDerWaalsContact C-N 3.34Å; S68-V70 PolarHBondContact OG-N 3.17Å; S68-R226 WeakPolarHBondContact O-CD 3.43Å; S68-R226 PolarHBondContact O-NH1 2.86Å
69G87.7Confident91.7Very high53 Ų5346.4 Ų46.455%0.54622%0.218SC..SBendtrans89.8-8.1-172.600000114M66 R67M66-G69 PolarHBondContact O-N 3.17Å; R67-G69 PolarHBondContact O-N 2.85Å
70V92.9Very high91.6Very high0 Ų043.7 Ų43.70%021%0.207CC..  trans-75.2127178-1790000109.8M66 S68 Y217 R226 P227 I230M66-V70 PolarHBondContact N-O 2.94Å; S68-V70 VanDerWaalsContact C-N 3.34Å; S68-V70 PolarHBondContact OG-N 3.17Å; V70-Y217 HydrophobicContact CG1-CD2 4.5Å; V70-Y217 HydrophobicContact CG1-CE2 4.39Å; V70-Y217 HydrophobicContact CG2-CD1 3.74Å; V70-Y217 HydrophobicContact CG2-CE1 3.88Å; V70-Y217 HydrophobicContact CG2-CG 4.09Å; V70-R226 HydrophobicContact CG2-CB 4.02Å; V70-P227 HydrophobicContact CG1-CG 4.22Å; V70-I230 HydrophobicContact CG1-CD1 3.87Å; V70-I230 HydrophobicContact CG1-CG1 4.08Å
71K96.3Very high91.3Very high54 Ų5440.3 Ų40.324%0.23520%0.202CC..EExtended strand (participates in β ladder)trans-87.3134.5173.6-170.6172.249.6145.50110.3F64 K228 E229 I230F64-K71 CarbonylContact O-C 3.54Å; F64-K71 WeakPolarHBondContact O-CA 3.38Å; K71-K228 WeakPolarHBondContact CB-O 3.03Å; K71-K228 PolarHBondContact N-O 3.05Å; K71-E229 HydrophobicContact CB-CB 4.36Å; K71-E229 HydrophobicContact CB-CG 4.22Å; K71-E229 WeakPolarHBondContact CE-OE1 3.33Å; K71-E229 WeakPolarHBondContact CE-OE2 3.25Å; K71-E229 HydrophobicContact CG-CG 4.34Å; K71-E229 IonicContact NZ-OE1 2.72Å; K71-E229 PolarHBondContact NZ-OE1 3.37Å; K71-E229 IonicContact NZ-OE2 2.63Å; K71-E229 PolarHBondContact NZ-OE2 2.92Å; K71-E229 CarbonylContact O-C 3.58Å; K71-E229 VanDerWaalsContact O-CA 3.24Å; K71-E229 WeakPolarHBondContact O-CA 3.28Å; K71-I230 PolarHBondContact O-N 3.06Å
72V97.1Very high91.5Very high1 Ų136.2 Ų36.21%0.00619%0.187CC..EExtended strand (participates in β ladder)trans-116.5126.8172.6-177.40000107.8E63 F64 M66 I213 I230 L232 F251E63-V72 CarbonylContact C-O 3.54Å; E63-V72 WeakPolarHBondContact CA-O 3.4Å; F64-V72 PolarHBondContact N-O 3.45Å; F64-V72 PolarHBondContact O-N 2.96Å; M66-V72 HydrophobicContact CG-CG2 4.4Å; M66-V72 HydrophobicContact SD-CG2 4.1Å; V72-I213 HydrophobicContact CG2-CG2 4.16Å; V72-I230 WeakPolarHBondContact CA-O 3.33Å; V72-L232 HydrophobicContact CG1-CD1 3.94Å; V72-L232 HydrophobicContact CG1-CG 4.21Å; V72-F251 HydrophobicContact CB-CE2 4.28Å; V72-F251 HydrophobicContact CG1-CE2 4.19Å; V72-F251 HydrophobicContact CG2-CE2 4.49Å; V72-F251 HydrophobicContact CG2-CZ 4.28Å
73S96.8Very high91.4Very high0 Ų041 Ų410%021%0.214CC..EExtended strand (participates in β ladder)trans-133.5145.5179.455.30000111.8Y62 W75 E229 I230 F231 L232Y62-S73 CarbonylContact O-C 3.56Å; Y62-S73 WeakPolarHBondContact O-CA 3.45Å; Y62-S73 WeakPolarHBondContact O-CB 3.32Å; S73-W75 PolarHBondContact OG-NE1 2.89Å; S73-E229 WeakPolarHBondContact CB-OE1 3.37Å; S73-E229 PolarHBondContact OG-OE1 3.45Å; S73-I230 PolarHBondContact N-O 3.21Å; S73-F231 CarbonylContact O-C 3.59Å; S73-F231 WeakPolarHBondContact O-CA 3.32Å; S73-F231 WeakPolarHBondContact OG-CD1 3.47Å; S73-L232 PolarHBondContact O-N 3.38Å
74V97.3Very high91.4Very high0 Ų036.7 Ų36.70%020%0.195CC..EExtended strand (participates in β ladder)trans-103.8129-179.9-176.90000108.9R60 R61 Y62 L232 V240 M243 C247R60-V74 CarbonylContact C-O 3.48Å; R60-V74 WeakPolarHBondContact CA-O 3.46Å; R61-V74 PolarHBondContact N-O 3.11Å; Y62-V74 HydrophobicContact CD1-CG2 4.22Å; Y62-V74 HydrophobicContact CG-CG2 4.4Å; Y62-V74 PolarHBondContact N-O 3.38Å; Y62-V74 PolarHBondContact O-N 3.34Å; V74-L232 CarbonylContact C-O 3.45Å; V74-L232 WeakPolarHBondContact CA-O 3.29Å; V74-L232 HydrophobicContact CG2-CB 4.26Å; V74-L232 HydrophobicContact CG2-CD1 4.24Å; V74-V240 HydrophobicContact CG1-CG1 3.87Å; V74-M243 HydrophobicContact CG1-CB 3.81Å; V74-M243 HydrophobicContact CG2-CB 4.28Å; V74-C247 HydrophobicContact CG2-CB 4.4Å
75W96.1Very high91.6Very high39 Ų3937 Ų3715%0.14820%0.198CC..EExtended strand (participates in β ladder)trans-127.9131.6-174-68.878.7000111.8P58 E59 R60 S73 A77 F82 F231 L232 A233 N234P58-W75 HydrophobicContact CB-CE3 3.67Å; P58-W75 HydrophobicContact CB-CZ3 3.7Å; P58-W75 WeakPolarHBondContact O-CZ3 3.26Å; E59-W75 WeakPolarHBondContact O-CA 3.5Å; R60-W75 HydrophobicContact CB-CD2 3.89Å; R60-W75 HydrophobicContact CB-CE3 3.93Å; R60-W75 HydrophobicContact CB-CH2 3.81Å; R60-W75 HydrophobicContact CB-CZ2 3.75Å; R60-W75 HydrophobicContact CB-CZ3 3.88Å; R60-W75 HydrophobicContact CG-CD2 4.26Å; R60-W75 HydrophobicContact CG-CH2 4.47Å; R60-W75 HydrophobicContact CG-CZ2 3.92Å; S73-W75 PolarHBondContact OG-NE1 2.89Å; W75-A77 HydrophobicContact CB-CB 4.27Å; W75-A77 PolarHBondContact O-N 3.26Å; W75-F82 HydrophobicContact CB-CE2 4.3Å; W75-F82 HydrophobicContact CB-CZ 4.38Å; W75-F82 HydrophobicContact CD2-CE2 4.05Å; W75-F82 HydrophobicContact CD2-CZ 4.05Å; W75-F82 HydrophobicContact CE3-CE2 4.04Å; W75-F82 HydrophobicContact CE3-CZ 4.47Å; W75-F82 HydrophobicContact CG-CE2 4.18Å; W75-F82 HydrophobicContact CG-CZ 4.01Å; W75-F231 AromaticContact CD1-CD1 3.85Å; W75-F231 HydrophobicContact CZ2-CE1 4.46Å; W75-F231 AromaticContact NE1-CD1 3.4Å; W75-L232 PolarHBondContact N-O 3.38Å; W75-A233 HydrophobicContact CB-CB 4.25Å; W75-A233 WeakPolarHBondContact O-CA 3.37Å; W75-N234 PolarHBondContact O-N 2.71Å; W75-N234 VanDerWaalsContact O-N 3.12Å
76K91.8Very high91.9Very high40 Ų4032.9 Ų32.917%0.17417%0.173CC..EExtended strand (participates in β ladder)trans-83.2107.3157.5-162.2-165177167.70107.3I56 P58 E59 N234 D237 V240I56-K76 VanDerWaalsContact CG2-C 3.49Å; I56-K76 HydrophobicContact CG2-CB 4.19Å; I56-K76 HydrophobicContact CG2-CD 3.99Å; I56-K76 HydrophobicContact CG2-CG 3.76Å; I56-K76 WeakPolarHBondContact CG2-O 3.4Å; P58-K76 WeakPolarHBondContact CA-O 3.42Å; E59-K76 HydrophobicContact CB-CB 4.27Å; E59-K76 PolarHBondContact N-O 3.26Å; E59-K76 PolarHBondContact O-N 3.03Å; K76-N234 CarbonylContact C-O 3.54Å; K76-N234 VanDerWaalsContact CA-O 3.31Å; K76-N234 WeakPolarHBondContact CA-O 3.33Å; K76-D237 WeakPolarHBondContact CD-OD1 3.47Å; K76-D237 WeakPolarHBondContact CE-OD1 3.44Å; K76-D237 WeakPolarHBondContact CE-OD2 3.46Å; K76-D237 IonicContact NZ-OD1 3.15Å; K76-D237 PolarHBondContact NZ-OD1 3.02Å; K76-D237 IonicContact NZ-OD2 3.61Å; K76-D237 PolarHBondContact NZ-OD2 3.41Å; K76-V240 HydrophobicContact CB-CG1 4.22Å; K76-V240 HydrophobicContact CB-CG2 4.01Å; K76-V240 HydrophobicContact CG-CG2 4.09Å
77A90.5Very high92.3Very high0 Ų032.6 Ų32.60%017%0.172CC..  trans-156.6158-174.500000111.9P58 W75 F82 N234 H235P58-A77 HydrophobicContact CB-CB 4.26Å; W75-A77 HydrophobicContact CB-CB 4.27Å; W75-A77 PolarHBondContact O-N 3.26Å; A77-F82 HydrophobicContact CB-CD2 3.45Å; A77-F82 VanDerWaalsContact CB-CD2 3.45Å; A77-F82 HydrophobicContact CB-CE2 3.74Å; A77-F82 HydrophobicContact CB-CG 4.33Å; A77-N234 PolarHBondContact N-O 3.09Å; A77-N234 CarbonylContact O-C 3.59Å; A77-N234 VanDerWaalsContact O-O 3.12Å; A77-H235 WeakPolarHBondContact O-CA 3.37Å; A77-H235 PolarHBondContact O-N 3.44Å
78D89.6Confident92.9Very high26 Ų2623.8 Ų23.814%0.13914%0.139CC..  trans-92.6111.2169.2-175.8-14.8000109.8T80 S81 F82D78-T80 PolarHBondContact O-N 3.36Å; D78-T80 VanDerWaalsContact O-N 3.15Å; D78-T80 WeakPolarHBondContact OD1-CB 3.46Å; D78-T80 WeakPolarHBondContact OD1-CG2 3.3Å; D78-T80 PolarHBondContact OD1-N 3.34Å; D78-T80 PolarHBondContact OD1-OG1 3.34Å; D78-T80 PolarHBondContact OD2-OG1 2.88Å; D78-S81 PolarHBondContact O-N 2.79Å; D78-S81 VanDerWaalsContact O-N 3.11Å; D78-S81 PolarHBondContact O-OG 3.45Å; D78-F82 WeakPolarHBondContact O-CB 3.41Å; D78-F82 PolarHBondContact O-N 3.25Å; D78-F82 VanDerWaalsContact O-N 3.15Å
79L91.6Very high93.6Very high6 Ų622.9 Ų22.93%0.03113%0.133CC..THydrogen-bonded Turntrans-60.1-21.8-179.2-81.4165.8000113.8S81 V87 L101 L105 A189 P191 A233L79-S81 PolarHBondContact O-N 3.05Å; L79-V87 HydrophobicContact CD2-CB 4.35Å; L79-V87 HydrophobicContact CD2-CG1 4.3Å; L79-L101 HydrophobicContact CB-CD1 4.12Å; L79-L101 HydrophobicContact CD1-CD1 4.01Å; L79-L101 HydrophobicContact CD1-CD2 3.68Å; L79-L101 HydrophobicContact CD1-CG 4.49Å; L79-L105 HydrophobicContact CB-CD2 4.21Å; L79-A189 HydrophobicContact CD2-CB 3.45Å; L79-A189 VanDerWaalsContact CD2-CB 3.45Å; L79-P191 HydrophobicContact CD1-CB 3.73Å; L79-P191 HydrophobicContact CD1-CG 4.14Å; L79-A233 HydrophobicContact CD2-CB 4.05Å; L79-A233 HydrophobicContact CG-CB 4.36Å
80T89.4Confident93.9Very high20 Ų2022 Ų2212%0.12312%0.12CC..THydrogen-bonded Turntrans-67.6-19.4176.964.80000113.6D78 A104 L105 A108 L140D78-T80 PolarHBondContact O-N 3.36Å; D78-T80 VanDerWaalsContact O-N 3.15Å; D78-T80 WeakPolarHBondContact OD1-CB 3.46Å; D78-T80 WeakPolarHBondContact OD1-CG2 3.3Å; D78-T80 PolarHBondContact OD1-N 3.34Å; D78-T80 PolarHBondContact OD1-OG1 3.34Å; D78-T80 PolarHBondContact OD2-OG1 2.88Å; T80-A104 HydrophobicContact CG2-CB 3.96Å; T80-A104 WeakPolarHBondContact CG2-O 3.35Å; T80-L105 HydrophobicContact CG2-CD2 4.34Å; T80-A108 HydrophobicContact CG2-CB 3.82Å; T80-L140 WeakPolarHBondContact O-CD2 3.41Å
81S85.3Confident94Very high50 Ų5022.1 Ų22.135%0.3512%0.121SC..SBendtrans-129.87.6-178.459.50000113.2D78 L79D78-S81 PolarHBondContact O-N 2.79Å; D78-S81 VanDerWaalsContact O-N 3.11Å; D78-S81 PolarHBondContact O-OG 3.45Å; L79-S81 PolarHBondContact O-N 3.05Å
82F89.4Confident93.8Very high10 Ų1021.2 Ų21.24%0.04412%0.119CC..  trans-80.1129.7-174.8-168.7-104000111.3P58 W75 A77 D78 A84 A189 F231P58-F82 HydrophobicContact CB-CD2 4.26Å; P58-F82 HydrophobicContact CB-CE2 4.03Å; P58-F82 HydrophobicContact CG-CD2 4.35Å; W75-F82 HydrophobicContact CB-CE2 4.3Å; W75-F82 HydrophobicContact CB-CZ 4.38Å; W75-F82 HydrophobicContact CD2-CE2 4.05Å; W75-F82 HydrophobicContact CD2-CZ 4.05Å; W75-F82 HydrophobicContact CE3-CE2 4.04Å; W75-F82 HydrophobicContact CE3-CZ 4.47Å; W75-F82 HydrophobicContact CG-CE2 4.18Å; W75-F82 HydrophobicContact CG-CZ 4.01Å; A77-F82 HydrophobicContact CB-CD2 3.45Å; A77-F82 VanDerWaalsContact CB-CD2 3.45Å; A77-F82 HydrophobicContact CB-CE2 3.74Å; A77-F82 HydrophobicContact CB-CG 4.33Å; D78-F82 WeakPolarHBondContact O-CB 3.41Å; D78-F82 PolarHBondContact O-N 3.25Å; D78-F82 VanDerWaalsContact O-N 3.15Å; F82-A84 HydrophobicContact CD1-CB 4.3Å; F82-A84 HydrophobicContact CE1-CB 4.47Å; F82-A84 PolarHBondContact O-N 3.39Å; F82-A189 HydrophobicContact CD1-CB 3.63Å; F82-A189 HydrophobicContact CE1-CB 3.8Å; F82-F231 HydrophobicContact CD1-CD2 4.49Å; F82-F231 HydrophobicContact CE1-CB 3.68Å; F82-F231 HydrophobicContact CE1-CD1 4.19Å; F82-F231 AromaticContact CE1-CD2 3.46Å; F82-F231 HydrophobicContact CE1-CD2 3.46Å; F82-F231 VanDerWaalsContact CE1-CD2 3.46Å; F82-F231 AromaticContact CE1-CE2 3.96Å; F82-F231 HydrophobicContact CE1-CE2 3.96Å; F82-F231 AromaticContact CE1-CG 3.54Å; F82-F231 HydrophobicContact CE1-CG 3.54Å; F82-F231 HydrophobicContact CZ-CB 3.94Å; F82-F231 HydrophobicContact CZ-CD1 4.01Å; F82-F231 HydrophobicContact CZ-CD2 4.11Å; F82-F231 HydrophobicContact CZ-CE1 4.45Å; F82-F231 HydrophobicContact CZ-CE2 4.49Å; F82-F231 AromaticContact CZ-CG 3.8Å; F82-F231 HydrophobicContact CZ-CG 3.8Å
83L90.6Very high93.8Very high136 Ų13623.8 Ų23.871%0.71213%0.131SC*.  trans-81.8106.3-176.6-59.7178.7000110.6P141L83-P141 HydrophobicContact CD2-CB 3.93Å; L83-P141 HydrophobicContact CD2-CG 4.34Å
84A93.8Very high93.6Very high10 Ų1027 Ų278%0.08315%0.148CC..SBendtrans-150.616017300000109.7F82 A86 C142 A189 F231F82-A84 HydrophobicContact CD1-CB 4.3Å; F82-A84 HydrophobicContact CE1-CB 4.47Å; F82-A84 PolarHBondContact O-N 3.39Å; A84-A86 WeakPolarHBondContact CB-O 3.44Å; A84-A86 PolarHBondContact O-N 3.2Å; A84-C142 VanDerWaalsContact O-CA 3.31Å; A84-C142 WeakPolarHBondContact O-CA 3.42Å; A84-C142 WeakPolarHBondContact O-CB 3.14Å; A84-A189 HydrophobicContact CB-CB 4.21Å; A84-F231 HydrophobicContact CB-CD2 3.98Å; A84-F231 HydrophobicContact CB-CE2 3.84Å
85D97.1Very high93.5Very high35 Ų3527 Ų2719%0.18715%0.148CC..SBendtrans-65.3-33.5174.7-66.7-53.3000111.2R143 K144 L185 A186 T187D85-R143 WeakPolarHBondContact O-CA 3.32Å; D85-R143 WeakPolarHBondContact O-CB 3.47Å; D85-R143 PolarHBondContact O-N 3.34Å; D85-R143 WeakPolarHBondContact OD1-CD 3.15Å; D85-K144 PolarHBondContact O-N 2.72Å; D85-K144 VanDerWaalsContact O-N 3.1Å; D85-L185 HydrophobicContact CB-CB 4.08Å; D85-L185 HydrophobicContact CB-CD2 3.84Å; D85-A186 VanDerWaalsContact OD2-CA 3.27Å; D85-A186 WeakPolarHBondContact OD2-CA 3.23Å; D85-A186 VanDerWaalsContact OD2-CB 3.22Å; D85-A186 WeakPolarHBondContact OD2-CB 3.5Å; D85-A186 PolarHBondContact OD2-N 2.9Å; D85-T187 WeakPolarHBondContact CB-O 3.45Å; D85-T187 PolarHBondContact N-O 2.85Å; D85-T187 PolarHBondContact N-OG1 3.17Å; D85-T187 PolarHBondContact OD2-N 3.14Å; D85-T187 PolarHBondContact OD2-OG1 2.75Å
86A97.9Very high93.1Very high0 Ų029 Ų290%016%0.161CC..EExtended strand (participates in β ladder)trans-137.9147.7167.700000113.7A84 K144 I146 L185 T187 V188 A189A84-A86 WeakPolarHBondContact CB-O 3.44Å; A84-A86 PolarHBondContact O-N 3.2Å; A86-K144 WeakPolarHBondContact CA-O 3.22Å; A86-K144 HydrophobicContact CB-CB 4.15Å; A86-K144 WeakPolarHBondContact CB-O 3.37Å; A86-I146 HydrophobicContact CB-CD1 3.9Å; A86-I146 HydrophobicContact CB-CG1 4.17Å; A86-L185 HydrophobicContact CB-CD1 3.54Å; A86-T187 PolarHBondContact N-O 3.41Å; A86-T187 VanDerWaalsContact N-O 3.12Å; A86-V188 HydrophobicContact CB-CG2 4.3Å; A86-V188 CarbonylContact O-C 3.52Å; A86-V188 WeakPolarHBondContact O-CA 3.12Å; A86-A189 PolarHBondContact O-N 3.47Å
87V98.1Very high93Very high1 Ų127.2 Ų27.21%0.00615%0.154CC..EExtended strand (participates in β ladder)trans-111.2138.4166.9-59.80000109.2L79 L105 L140 C142 K144 I145 I146 A189L79-V87 HydrophobicContact CD2-CB 4.35Å; L79-V87 HydrophobicContact CD2-CG1 4.3Å; V87-L105 HydrophobicContact CG2-CD2 4.14Å; V87-L140 HydrophobicContact CG2-CD1 3.98Å; V87-C142 HydrophobicContact CG1-CB 4.41Å; V87-K144 PolarHBondContact N-O 3.41Å; V87-I145 HydrophobicContact CG2-CG1 4.25Å; V87-I145 WeakPolarHBondContact O-CA 3.08Å; V87-I146 PolarHBondContact O-N 2.83Å; V87-A189 HydrophobicContact CG1-CB 4.38Å
88V98.7Very high92.2Very high0 Ų031.4 Ų31.40%018%0.182CC..EExtended strand (participates in β ladder)trans-93.4127.7178179.20000109.5I146 A148 I176 V188 A189 I190 P191 I193V88-I146 CarbonylContact C-O 3.51Å; V88-I146 VanDerWaalsContact CA-O 3.3Å; V88-I146 WeakPolarHBondContact CA-O 3.45Å; V88-I146 HydrophobicContact CG2-CB 4.2Å; V88-A148 HydrophobicContact CG1-CB 4.07Å; V88-I176 HydrophobicContact CG1-CD1 3.67Å; V88-I176 HydrophobicContact CG1-CG1 4.1Å; V88-I176 HydrophobicContact CG2-CD1 4.4Å; V88-I176 HydrophobicContact CG2-CG1 4.39Å; V88-I176 HydrophobicContact CG2-CG2 3.65Å; V88-V188 HydrophobicContact CG2-CG2 3.74Å; V88-A189 WeakPolarHBondContact CB-O 3.28Å; V88-A189 WeakPolarHBondContact CG2-O 3.49Å; V88-A189 PolarHBondContact N-O 2.67Å; V88-I190 HydrophobicContact CG2-CB 4.47Å; V88-I190 HydrophobicContact CG2-CG1 3.99Å; V88-P191 WeakPolarHBondContact O-CD 3.48Å; V88-P191 WeakPolarHBondContact O-CG 3.29Å; V88-I193 HydrophobicContact CG1-CD1 3.97Å
89N98.1Very high91.1Very high0 Ų031.2 Ų31.20%019%0.186CC..EExtended strand (participates in β ladder)trans-94.7131.7170.8-178.513.9000109.9A91 H97 A102 L105 I145 I146 H147 A148N89-A91 PolarHBondContact O-N 2.9Å; N89-H97 PolarHBondContact ND2-CE1 2.73Å; N89-H97 VanDerWaalsContact ND2-CE1 3.3Å; N89-H97 PolarHBondContact ND2-ND1 3.06Å; N89-A102 WeakPolarHBondContact OD1-CA 3.14Å; N89-A102 WeakPolarHBondContact OD1-CB 3.46Å; N89-L105 HydrophobicContact CB-CD1 3.67Å; N89-I145 HydrophobicContact CB-CD1 4.07Å; N89-I145 HydrophobicContact CB-CG1 4.15Å; N89-I146 PolarHBondContact N-O 2.91Å; N89-H147 PolarHBondContact ND2-ND1 2.84Å; N89-A148 PolarHBondContact O-N 3.43Å
90A94.5Very high90.8Very high33 Ų3333.3 Ų33.327%0.27321%0.209SC..EExtended strand (participates in β ladder)trans-81.293.8168.200000108.9I193A90-I193 HydrophobicContact CB-CG1 4.42Å; A90-I193 HydrophobicContact CB-CG2 4.42Å
91A94Very high90.7Very high3 Ų334.7 Ų34.73%0.02522%0.216CC..EExtended strand (participates in β ladder)trans-101.3169.2-17200000112.6N89 L95 H147 A148N89-A91 PolarHBondContact O-N 2.9Å; A91-L95 HydrophobicContact CB-CD2 3.88Å; A91-H147 HydrophobicContact CB-CB 3.99Å; A91-A148 PolarHBondContact N-O 3.42Å
92N92.8Very high90.7Very high36 Ų3632.7 Ų32.719%0.19320%0.202CC..  trans-100.6171.9167.656.152.3000111.2D94 L95 N96 F198N92-D94 PolarHBondContact O-N 2.91Å; N92-D94 VanDerWaalsContact O-N 3.17Å; N92-D94 PolarHBondContact OD1-N 3.41Å; N92-L95 PolarHBondContact O-N 2.8Å; N92-L95 PolarHBondContact OD1-N 3.34Å; N92-N96 PolarHBondContact ND2-O 3.31Å; N92-N96 PolarHBondContact OD1-N 3.33Å; N92-F198 HydrophobicContact CB-CZ 4.12Å
93E95.9Very high90.2Very high55 Ų5534.9 Ų34.926%0.25721%0.214SC..THydrogen-bonded Turntrans-58.4-26.9-178-67.378.6-176.800113.6K126 L127 T129 V149E93-K126 WeakPolarHBondContact O-CA 3.25Å; E93-L127 VanDerWaalsContact CA-O 3.27Å; E93-L127 WeakPolarHBondContact CA-O 3.21Å; E93-L127 VanDerWaalsContact CB-O 3.24Å; E93-L127 WeakPolarHBondContact CB-O 3.28Å; E93-L127 VanDerWaalsContact CG-O 3.29Å; E93-L127 WeakPolarHBondContact CG-O 3.33Å; E93-L127 PolarHBondContact O-N 3.2Å; E93-T129 PolarHBondContact OE1-OG1 2.72Å; E93-V149 HydrophobicContact CG-CG1 3.98Å
94D93.7Very high89.8Confident67 Ų6730.2 Ų30.236%0.35820%0.195SC..THydrogen-bonded Turntrans-92.10.3-180-69.9-62.3000113N92 N96 I121 K126N92-D94 PolarHBondContact O-N 2.91Å; N92-D94 VanDerWaalsContact O-N 3.17Å; N92-D94 PolarHBondContact OD1-N 3.41Å; D94-N96 HydrophobicContact CB-CB 4.39Å; D94-N96 PolarHBondContact O-N 2.87Å; D94-N96 VanDerWaalsContact O-N 3.08Å; D94-I121 WeakPolarHBondContact O-CG1 3.31Å; D94-K126 WeakPolarHBondContact OD1-CD 3.5Å; D94-K126 WeakPolarHBondContact OD1-CE 3.4Å; D94-K126 IonicContact OD1-NZ 3.13Å; D94-K126 PolarHBondContact OD1-NZ 3.49Å; D94-K126 IonicContact OD2-NZ 3.97Å; D94-K126 PolarHBondContact OD2-NZ 3.12Å
95L93.9Very high89.5Confident0 Ų029.8 Ų29.80%019%0.191CC..  trans46.835.5-171.9-58.6179.7000113.1A91 N92 H97 Q114 S117 Y120 I121 L127 V133 H147A91-L95 HydrophobicContact CB-CD2 3.88Å; N92-L95 PolarHBondContact O-N 2.8Å; N92-L95 PolarHBondContact OD1-N 3.34Å; L95-H97 PolarHBondContact O-CE1 2.97Å; L95-H97 PolarHBondContact O-NE2 3.42Å; L95-H97 VanDerWaalsContact O-NE2 3.15Å; L95-Q114 PolarHBondContact O-NE2 3.11Å; L95-S117 WeakPolarHBondContact O-CB 3.5Å; L95-Y120 HydrophobicContact CD1-CD1 3.72Å; L95-Y120 HydrophobicContact CD1-CE1 4.39Å; L95-Y120 HydrophobicContact CD1-CG 4.42Å; L95-I121 HydrophobicContact CB-CD1 4.28Å; L95-I121 HydrophobicContact CB-CG1 4.12Å; L95-I121 HydrophobicContact CD1-CD1 4.05Å; L95-I121 HydrophobicContact CD1-CG1 4.14Å; L95-I121 HydrophobicContact CG-CD1 3.93Å; L95-I121 HydrophobicContact CG-CG1 4.21Å; L95-L127 HydrophobicContact CD2-CD2 4.09Å; L95-V133 HydrophobicContact CD1-CG1 3.93Å; L95-V133 HydrophobicContact CD2-CG1 4.49Å; L95-H147 HydrophobicContact CD2-CB 3.58Å
96N89.4Confident89Confident81 Ų8128.9 Ų28.943%0.43319%0.188SC..  trans-93105.7178.2-176.3-1.1000110.1N92 D94 C98N92-N96 PolarHBondContact ND2-O 3.31Å; N92-N96 PolarHBondContact OD1-N 3.33Å; D94-N96 HydrophobicContact CB-CB 4.39Å; D94-N96 PolarHBondContact O-N 2.87Å; D94-N96 VanDerWaalsContact O-N 3.08Å; N96-C98 PolarHBondContact O-N 3.46Å
97H89.3Confident87.8Confident3 Ų336.2 Ų36.21%0.01422%0.22CC..  trans-84.154.3-170.2-53.9-49.9000112.5N89 L95 A102 L103 Q114 S117 H147N89-H97 PolarHBondContact ND2-CE1 2.73Å; N89-H97 VanDerWaalsContact ND2-CE1 3.3Å; N89-H97 PolarHBondContact ND2-ND1 3.06Å; L95-H97 PolarHBondContact O-CE1 2.97Å; L95-H97 PolarHBondContact O-NE2 3.42Å; L95-H97 VanDerWaalsContact O-NE2 3.15Å; H97-A102 HydrophobicContact CB-CB 4.01Å; H97-L103 VanDerWaalsContact O-CA 3.25Å; H97-L103 WeakPolarHBondContact O-CA 3.31Å; H97-L103 WeakPolarHBondContact O-CD1 3.2Å; H97-Q114 PolarHBondContact CD2-OE1 2.79Å; H97-S117 PolarHBondContact NE2-OG 3.35Å; H97-H147 AromaticContact CE1-CE1 3.39Å; H97-H147 PolarHBondContact CE1-CE1 2.89Å; H97-H147 AromaticContact CE1-ND1 3.19Å; H97-H147 PolarHBondContact CE1-ND1 3.45Å; H97-H147 AromaticContact NE2-CE1 3.34Å; H97-H147 PolarHBondContact NE2-CE1 3.31Å; H97-H147 VanDerWaalsContact NE2-CE1 3.34Å; H97-H147 AromaticContact NE2-ND1 3.63Å
98C72.5Confident87Confident87 Ų8738.1 Ų38.159%0.58824%0.236SC*.  trans-89.3-10.2-170.260.10000115.4N96N96-C98 PolarHBondContact O-N 3.46Å
99G66.3Low86.1Confident22 Ų2238.1 Ų38.123%0.22724%0.236CC..SBendtrans-150.9167.1-177.200000115A102 L103G99-A102 PolarHBondContact O-N 3.3Å; G99-L103 PolarHBondContact O-N 3.05Å; G99-L103 VanDerWaalsContact O-N 3.08Å
100G85.1Confident85Confident51 Ų5138.9 Ų38.953%0.52624%0.243SC..Hα-helixtrans56.3-140.2172.900000114.6A102 L103 A104G100-A102 VanDerWaalsContact C-N 3.3Å; G100-A102 PolarHBondContact O-N 3.37Å; G100-L103 PolarHBondContact O-N 3.17Å; G100-A104 PolarHBondContact O-N 2.85Å
101L88.5Confident83.9Confident49 Ų4941.5 Ų41.526%0.25726%0.257SS..Hα-helixtrans-62.8-36177.417663.2000112.1L79 L103 A104 L105 P191L79-L101 HydrophobicContact CB-CD1 4.12Å; L79-L101 HydrophobicContact CD1-CD1 4.01Å; L79-L101 HydrophobicContact CD1-CD2 3.68Å; L79-L101 HydrophobicContact CD1-CG 4.49Å; L101-L103 VanDerWaalsContact C-N 3.35Å; L101-L103 PolarHBondContact O-N 2.8Å; L101-A104 WeakPolarHBondContact O-CB 3.32Å; L101-A104 PolarHBondContact O-N 2.98Å; L101-A104 VanDerWaalsContact O-N 3.16Å; L101-L105 HydrophobicContact CD1-CD1 4.05Å; L101-L105 HydrophobicContact CD1-CG 3.99Å; L101-L105 HydrophobicContact CD2-CD1 4.37Å; L101-L105 HydrophobicContact CG-CD1 3.87Å; L101-L105 HydrophobicContact CG-CG 4.26Å; L101-L105 WeakPolarHBondContact O-CG 3.43Å; L101-L105 PolarHBondContact O-N 2.98Å; L101-P191 HydrophobicContact CD2-CB 3.59Å; L101-P191 HydrophobicContact CD2-CG 3.53Å
102A85.4Confident83.5Confident7 Ų745.4 Ų45.46%0.05828%0.275CS..Hα-helixtrans-59.9-45.7179.400000111.7N89 H97 G99 G100 A104 L105 S106N89-A102 WeakPolarHBondContact OD1-CA 3.14Å; N89-A102 WeakPolarHBondContact OD1-CB 3.46Å; H97-A102 HydrophobicContact CB-CB 4.01Å; G99-A102 PolarHBondContact O-N 3.3Å; G100-A102 VanDerWaalsContact C-N 3.3Å; G100-A102 PolarHBondContact O-N 3.37Å; A102-A104 VanDerWaalsContact C-N 3.33Å; A102-A104 PolarHBondContact O-N 2.96Å; A102-L105 PolarHBondContact O-N 3.27Å; A102-S106 WeakPolarHBondContact O-CB 3.34Å; A102-S106 PolarHBondContact O-N 3.19Å
103L78.8Confident83.3Confident56 Ų5643.8 Ų43.829%0.29327%0.266SS..Hα-helixtrans-62.7-40.3174.9-177.464000112.2H97 G99 G100 L101 S106 K107H97-L103 VanDerWaalsContact O-CA 3.25Å; H97-L103 WeakPolarHBondContact O-CA 3.31Å; H97-L103 WeakPolarHBondContact O-CD1 3.2Å; G99-L103 PolarHBondContact O-N 3.05Å; G99-L103 VanDerWaalsContact O-N 3.08Å; G100-L103 PolarHBondContact O-N 3.17Å; L101-L103 VanDerWaalsContact C-N 3.35Å; L101-L103 PolarHBondContact O-N 2.8Å; L103-S106 PolarHBondContact O-N 3.36Å; L103-K107 HydrophobicContact CD1-CD 4.36Å; L103-K107 HydrophobicContact CD1-CG 4.3Å; L103-K107 HydrophobicContact CG-CD 4.15Å; L103-K107 HydrophobicContact CG-CG 4.47Å; L103-K107 WeakPolarHBondContact O-CB 3.44Å; L103-K107 VanDerWaalsContact O-CG 3.27Å; L103-K107 WeakPolarHBondContact O-CG 3.47Å; L103-K107 PolarHBondContact O-N 3.36Å
104A82.8Confident83.2Confident39 Ų3942.9 Ų42.932%0.32226%0.262SS..Hα-helixtrans-63.6-45.6178.200000111.7T80 G100 L101 A102 K107 A108T80-A104 HydrophobicContact CG2-CB 3.96Å; T80-A104 WeakPolarHBondContact CG2-O 3.35Å; G100-A104 PolarHBondContact O-N 2.85Å; L101-A104 WeakPolarHBondContact O-CB 3.32Å; L101-A104 PolarHBondContact O-N 2.98Å; L101-A104 VanDerWaalsContact O-N 3.16Å; A102-A104 VanDerWaalsContact C-N 3.33Å; A102-A104 PolarHBondContact O-N 2.96Å; A104-K107 PolarHBondContact O-N 3.44Å; A104-A108 WeakPolarHBondContact O-CB 3.49Å; A104-A108 PolarHBondContact O-N 3.1Å
105L86.9Confident82.8Confident0 Ų045.7 Ų45.70%028%0.275CS..Hα-helixtrans-65-43.1176.3-71.9171.6000111.7L79 T80 V87 N89 L101 A102 A108 G109 I113 L140 I145L79-L105 HydrophobicContact CB-CD2 4.21Å; T80-L105 HydrophobicContact CG2-CD2 4.34Å; V87-L105 HydrophobicContact CG2-CD2 4.14Å; N89-L105 HydrophobicContact CB-CD1 3.67Å; L101-L105 HydrophobicContact CD1-CD1 4.05Å; L101-L105 HydrophobicContact CD1-CG 3.99Å; L101-L105 HydrophobicContact CD2-CD1 4.37Å; L101-L105 HydrophobicContact CG-CD1 3.87Å; L101-L105 HydrophobicContact CG-CG 4.26Å; L101-L105 WeakPolarHBondContact O-CG 3.43Å; L101-L105 PolarHBondContact O-N 2.98Å; A102-L105 PolarHBondContact O-N 3.27Å; L105-A108 PolarHBondContact O-N 3.18Å; L105-G109 PolarHBondContact O-N 3.33Å; L105-I113 WeakPolarHBondContact O-CD1 3.3Å; L105-L140 HydrophobicContact CB-CD1 4.49Å; L105-L140 HydrophobicContact CD2-CD1 4.03Å; L105-L140 HydrophobicContact CD2-CD2 4.2Å; L105-I145 HydrophobicContact CB-CD1 4.26Å; L105-I145 HydrophobicContact CD1-CD1 4.41Å
106S85.8Confident82.8Confident16 Ų1649.3 Ų49.311%0.11229%0.292CS..Hα-helixtrans-63.4-41.4176.4177.70000112.3A102 L103 G110A102-S106 WeakPolarHBondContact O-CB 3.34Å; A102-S106 PolarHBondContact O-N 3.19Å; L103-S106 PolarHBondContact O-N 3.36Å; S106-G110 CarbonylContact O-C 3.19Å; S106-G110 WeakPolarHBondContact O-CA 3.39Å; S106-G110 PolarHBondContact O-N 2.8Å; S106-G110 VanDerWaalsContact O-O 3.09Å
107K73.6Confident83Confident155 Ų15545.4 Ų45.467%0.67427%0.271SS*.Hα-helixtrans-63.3-43.5174.4-77.2177176.7179.60112.2L103 A104L103-K107 HydrophobicContact CD1-CD 4.36Å; L103-K107 HydrophobicContact CD1-CG 4.3Å; L103-K107 HydrophobicContact CG-CD 4.15Å; L103-K107 HydrophobicContact CG-CG 4.47Å; L103-K107 WeakPolarHBondContact O-CB 3.44Å; L103-K107 VanDerWaalsContact O-CG 3.27Å; L103-K107 WeakPolarHBondContact O-CG 3.47Å; L103-K107 PolarHBondContact O-N 3.36Å; A104-K107 PolarHBondContact O-N 3.44Å
108A81.9Confident83Confident41 Ų4148.8 Ų48.834%0.33929%0.289SS..Hα-helixtrans-74-37.6-177.800000113T80 A104 L105 G110 L140T80-A108 HydrophobicContact CG2-CB 3.82Å; A104-A108 WeakPolarHBondContact O-CB 3.49Å; A104-A108 PolarHBondContact O-N 3.1Å; L105-A108 PolarHBondContact O-N 3.18Å; A108-G110 VanDerWaalsContact C-N 3.3Å; A108-L140 HydrophobicContact CB-CD2 3.7Å
109G78.4Confident84.1Confident0 Ų047.1 Ų47.10%027%0.274CS..Hα-helixtrans-83.1-4.1174.900000114.6L105 G138 S139L105-G109 PolarHBondContact O-N 3.33Å; G109-G138 CarbonylContact O-C 3.55Å; G109-G138 VanDerWaalsContact O-CA 3.27Å; G109-G138 WeakPolarHBondContact O-CA 3.35Å; G109-S139 PolarHBondContact O-N 3.47Å
110G76Confident85.6Confident16 Ų1648.6 Ų48.617%0.16527%0.273CS..  trans76.9177.1179.700000114.1S106 A108 Q112 I113S106-G110 CarbonylContact O-C 3.19Å; S106-G110 WeakPolarHBondContact O-CA 3.39Å; S106-G110 PolarHBondContact O-N 2.8Å; S106-G110 VanDerWaalsContact O-O 3.09Å; A108-G110 VanDerWaalsContact C-N 3.3Å; G110-Q112 PolarHBondContact O-N 3.18Å; G110-I113 PolarHBondContact O-N 2.89Å
111P71.8Confident86.1Confident87 Ų8747.8 Ų47.857%0.56526%0.257SS*.THydrogen-bonded Turntrans-60.7-20.5-172.824.6-34.9000114.1I113 Q114 M115P111-I113 PolarHBondContact O-N 2.79Å; P111-Q114 PolarHBondContact O-N 3.39Å; P111-Q114 VanDerWaalsContact O-N 3.16Å; P111-M115 WeakPolarHBondContact O-CG 3.18Å; P111-M115 PolarHBondContact O-N 3.17Å
112Q84.3Confident86.3Confident86 Ų8653.9 Ų53.940%0.40228%0.276SS..Hα-helixtrans-54.6-38.8177.9-68.680.6-2.300112.2G110 Q114 M115 E116G110-Q112 PolarHBondContact O-N 3.18Å; Q112-Q114 PolarHBondContact O-N 3.43Å; Q112-M115 PolarHBondContact O-N 3.35Å; Q112-E116 WeakPolarHBondContact O-CG 3.41Å; Q112-E116 PolarHBondContact O-N 2.99Å
113I89.4Confident86.9Confident1 Ų160.1 Ų60.11%0.00530%0.302CS..Hα-helixtrans-60.4-45.9179.8-69.9-179.3000111.2L105 G110 P111 S117 L140 I145L105-I113 WeakPolarHBondContact O-CD1 3.3Å; G110-I113 PolarHBondContact O-N 2.89Å; P111-I113 PolarHBondContact O-N 2.79Å; I113-S117 WeakPolarHBondContact O-CB 3.47Å; I113-S117 PolarHBondContact O-N 2.88Å; I113-S117 VanDerWaalsContact O-N 3.15Å; I113-S117 PolarHBondContact O-OG 3.07Å; I113-L140 HydrophobicContact CD1-CD1 3.66Å; I113-L140 HydrophobicContact CD1-CG 4.18Å; I113-I145 HydrophobicContact CD1-CD1 3.92Å; I113-I145 HydrophobicContact CG2-CD1 4.31Å
114Q92.6Very high87.6Confident36 Ų3663.3 Ų63.317%0.16832%0.315CS..Hα-helixtrans-72-39.7179.2-16961.159.200110.9L95 H97 P111 Q112 E116 S117 D118L95-Q114 PolarHBondContact O-NE2 3.11Å; H97-Q114 PolarHBondContact CD2-OE1 2.79Å; P111-Q114 PolarHBondContact O-N 3.39Å; P111-Q114 VanDerWaalsContact O-N 3.16Å; Q112-Q114 PolarHBondContact O-N 3.43Å; Q114-E116 PolarHBondContact O-N 3.35Å; Q114-S117 WeakPolarHBondContact O-CB 3.06Å; Q114-S117 PolarHBondContact O-N 3.29Å; Q114-D118 PolarHBondContact NE2-OD1 2.82Å; Q114-D118 WeakPolarHBondContact O-CB 3.35Å; Q114-D118 PolarHBondContact O-N 3.15Å
115M86.1Confident88.2Confident126 Ų12663.1 Ų63.162%0.62132%0.317SS*.Hα-helixtrans-60.2-44.8178.1-71.1175.76100113P111 Q112 S117 D118 D119P111-M115 WeakPolarHBondContact O-CG 3.18Å; P111-M115 PolarHBondContact O-N 3.17Å; Q112-M115 PolarHBondContact O-N 3.35Å; M115-S117 VanDerWaalsContact C-N 3.33Å; M115-D118 PolarHBondContact O-N 3.06Å; M115-D119 PolarHBondContact O-N 3.42Å
116E93.4Very high88.6Confident76 Ų7669.4 Ų69.436%0.35534%0.344SS..Hα-helixtrans-68.2-35.5176.8-72.4-173.6-145.400111.8Q112 Q114 D119 Y120 L135 G136Q112-E116 WeakPolarHBondContact O-CG 3.41Å; Q112-E116 PolarHBondContact O-N 2.99Å; Q114-E116 PolarHBondContact O-N 3.35Å; E116-D119 PolarHBondContact O-N 2.88Å; E116-Y120 WeakPolarHBondContact O-CB 3.35Å; E116-Y120 PolarHBondContact O-N 3.18Å; E116-L135 HydrophobicContact CB-CD1 4.38Å; E116-G136 WeakPolarHBondContact OE2-CA 3.06Å; E116-G136 PolarHBondContact OE2-N 3.39Å
117S95.4Very high89.1Confident0 Ų069.1 Ų69.10%034%0.341CS..Hα-helixtrans-62.8-47.9174-63.40000111.6L95 H97 I113 Q114 M115 D119 Y120 I121L95-S117 WeakPolarHBondContact O-CB 3.5Å; H97-S117 PolarHBondContact NE2-OG 3.35Å; I113-S117 WeakPolarHBondContact O-CB 3.47Å; I113-S117 PolarHBondContact O-N 2.88Å; I113-S117 VanDerWaalsContact O-N 3.15Å; I113-S117 PolarHBondContact O-OG 3.07Å; Q114-S117 WeakPolarHBondContact O-CB 3.06Å; Q114-S117 PolarHBondContact O-N 3.29Å; M115-S117 VanDerWaalsContact C-N 3.33Å; S117-D119 VanDerWaalsContact C-N 3.31Å; S117-D119 PolarHBondContact O-N 2.91Å; S117-Y120 WeakPolarHBondContact O-CB 3.25Å; S117-Y120 PolarHBondContact O-N 2.98Å; S117-I121 WeakPolarHBondContact O-CG1 3.42Å; S117-I121 PolarHBondContact O-N 3.34Å
118D89.3Confident90.2Very high73 Ų7367.6 Ų67.639%0.3934%0.337SS..Hα-helixtrans-62.5-38.6178.1-65.9-11.1000111.7Q114 M115 R122Q114-D118 PolarHBondContact NE2-OD1 2.82Å; Q114-D118 WeakPolarHBondContact O-CB 3.35Å; Q114-D118 PolarHBondContact O-N 3.15Å; M115-D118 PolarHBondContact O-N 3.06Å; D118-R122 WeakPolarHBondContact O-CB 3.44Å; D118-R122 PolarHBondContact O-N 2.85Å
119D94.8Very high90.9Very high53 Ų5367.5 Ų67.528%0.28333%0.332SS..Hα-helixtrans-68.2-39.8175.6-172.262000112.3M115 E116 S117 R122 K123M115-D119 PolarHBondContact O-N 3.42Å; E116-D119 PolarHBondContact O-N 2.88Å; S117-D119 VanDerWaalsContact C-N 3.31Å; S117-D119 PolarHBondContact O-N 2.91Å; D119-R122 PolarHBondContact O-N 2.81Å; D119-R122 IonicContact OD1-NH1 3.45Å; D119-R122 PolarHBondContact OD1-NH1 3.04Å; D119-K123 WeakPolarHBondContact O-CG 3.36Å; D119-K123 PolarHBondContact O-N 2.95Å; D119-K123 VanDerWaalsContact O-N 3.11Å; D119-K123 WeakPolarHBondContact OD1-CE 3.39Å; D119-K123 IonicContact OD1-NZ 2.61Å; D119-K123 WeakPolarHBondContact OD2-CE 3.38Å; D119-K123 IonicContact OD2-NZ 3.57Å; D119-K123 PolarHBondContact OD2-NZ 3.09Å
120Y97.2Very high91.8Very high52 Ų5267.5 Ų67.520%0.20433%0.332CS..Hα-helixtrans-60.2-50.1174.2-179.2-91.8000111.4L95 E116 S117 R122 K123 H124 V133 L135L95-Y120 HydrophobicContact CD1-CD1 3.72Å; L95-Y120 HydrophobicContact CD1-CE1 4.39Å; L95-Y120 HydrophobicContact CD1-CG 4.42Å; E116-Y120 WeakPolarHBondContact O-CB 3.35Å; E116-Y120 PolarHBondContact O-N 3.18Å; S117-Y120 WeakPolarHBondContact O-CB 3.25Å; S117-Y120 PolarHBondContact O-N 2.98Å; Y120-R122 VanDerWaalsContact C-N 3.31Å; Y120-R122 PolarHBondContact O-N 3.33Å; Y120-K123 PolarHBondContact O-N 3.43Å; Y120-K123 VanDerWaalsContact O-N 3.12Å; Y120-H124 AromaticContact CD2-CE1 3.92Å; Y120-H124 AromaticContact CD2-ND1 3.42Å; Y120-H124 WeakPolarHBondContact CD2-ND1 3.5Å; Y120-H124 HydrophobicContact CE1-CB 4.16Å; Y120-H124 HydrophobicContact CE2-CB 4.26Å; Y120-H124 AromaticContact CE2-CE1 3.94Å; Y120-H124 AromaticContact CE2-CG 3.84Å; Y120-H124 AromaticContact CE2-ND1 3.47Å; Y120-H124 WeakPolarHBondContact CE2-ND1 3.49Å; Y120-H124 AromaticContact CG-ND1 3.98Å; Y120-H124 PolarHBondContact O-N 2.94Å; Y120-H124 PolarHBondContact O-ND1 2.95Å; Y120-V133 HydrophobicContact CD1-CG1 4.46Å; Y120-V133 HydrophobicContact CD2-CG2 3.86Å; Y120-V133 HydrophobicContact CE1-CB 4.33Å; Y120-V133 HydrophobicContact CE1-CG1 4.26Å; Y120-V133 HydrophobicContact CE1-CG2 4.22Å; Y120-V133 HydrophobicContact CE2-CB 4.34Å; Y120-V133 HydrophobicContact CE2-CG2 3.43Å; Y120-V133 VanDerWaalsContact CE2-CG2 3.43Å; Y120-V133 HydrophobicContact CG-CG2 4.42Å; Y120-L135 HydrophobicContact CD2-CD2 4.18Å; Y120-L135 HydrophobicContact CG-CD2 4.47Å
121I95.9Very high92.8Very high35 Ų3569.5 Ų69.518%0.17934%0.337CS..Hα-helixtrans-60.8-40.3178.5-66.4-67.2000111.2D94 L95 S117 K123 G125D94-I121 WeakPolarHBondContact O-CG1 3.31Å; L95-I121 HydrophobicContact CB-CD1 4.28Å; L95-I121 HydrophobicContact CB-CG1 4.12Å; L95-I121 HydrophobicContact CD1-CD1 4.05Å; L95-I121 HydrophobicContact CD1-CG1 4.14Å; L95-I121 HydrophobicContact CG-CD1 3.93Å; L95-I121 HydrophobicContact CG-CG1 4.21Å; S117-I121 WeakPolarHBondContact O-CG1 3.42Å; S117-I121 PolarHBondContact O-N 3.34Å; I121-K123 VanDerWaalsContact C-N 3.27Å; I121-K123 PolarHBondContact O-N 2.97Å; I121-G125 WeakPolarHBondContact CD1-O 3.49Å; I121-G125 VanDerWaalsContact O-CA 3.24Å; I121-G125 WeakPolarHBondContact O-CA 3.19Å; I121-G125 PolarHBondContact O-N 2.83Å
122R93.9Very high94.1Very high177 Ų17765.6 Ų65.667%0.66831%0.312SS*.Hα-helixtrans-61.4-35.5176.5-169.7-173.8-54.11147.6112.6D118 D119 Y120D118-R122 WeakPolarHBondContact O-CB 3.44Å; D118-R122 PolarHBondContact O-N 2.85Å; D119-R122 PolarHBondContact O-N 2.81Å; D119-R122 IonicContact OD1-NH1 3.45Å; D119-R122 PolarHBondContact OD1-NH1 3.04Å; Y120-R122 VanDerWaalsContact C-N 3.31Å; Y120-R122 PolarHBondContact O-N 3.33Å
123K96.5Very high94.8Very high137 Ų13762.1 Ų62.160%0.59630%0.297SS*.Hα-helixtrans-87.2-37.4-176.4-73.3172.5178.4168.70113.6D119 Y120 I121D119-K123 WeakPolarHBondContact O-CG 3.36Å; D119-K123 PolarHBondContact O-N 2.95Å; D119-K123 VanDerWaalsContact O-N 3.11Å; D119-K123 WeakPolarHBondContact OD1-CE 3.39Å; D119-K123 IonicContact OD1-NZ 2.61Å; D119-K123 WeakPolarHBondContact OD2-CE 3.38Å; D119-K123 IonicContact OD2-NZ 3.57Å; D119-K123 PolarHBondContact OD2-NZ 3.09Å; Y120-K123 PolarHBondContact O-N 3.43Å; Y120-K123 VanDerWaalsContact O-N 3.12Å; I121-K123 VanDerWaalsContact C-N 3.27Å; I121-K123 PolarHBondContact O-N 2.97Å
124H94.2Very high95.2Very high124 Ų12462.4 Ų62.457%0.57430%0.299SS*.Hα-helixtrans-116.9-7.6-168.8-54.891.6000113.7Y120Y120-H124 AromaticContact CD2-CE1 3.92Å; Y120-H124 AromaticContact CD2-ND1 3.42Å; Y120-H124 WeakPolarHBondContact CD2-ND1 3.5Å; Y120-H124 HydrophobicContact CE1-CB 4.16Å; Y120-H124 HydrophobicContact CE2-CB 4.26Å; Y120-H124 AromaticContact CE2-CE1 3.94Å; Y120-H124 AromaticContact CE2-CG 3.84Å; Y120-H124 AromaticContact CE2-ND1 3.47Å; Y120-H124 WeakPolarHBondContact CE2-ND1 3.49Å; Y120-H124 AromaticContact CG-ND1 3.98Å; Y120-H124 PolarHBondContact O-N 2.94Å; Y120-H124 PolarHBondContact O-ND1 2.95Å
125G95.2Very high95.4Very high34 Ų3461.7 Ų61.735%0.35130%0.296SS..  trans80.9-172.1-17300000112.8I121I121-G125 WeakPolarHBondContact CD1-O 3.49Å; I121-G125 VanDerWaalsContact O-CA 3.24Å; I121-G125 WeakPolarHBondContact O-CA 3.19Å; I121-G125 PolarHBondContact O-N 2.83Å
126K95.9Very high95.7Very high133 Ų13356.3 Ų56.358%0.57827%0.273SS*.PPolyproline II helixtrans-64.9139.8179-62.6-166.1-178.4-139.40111.3E93 D94E93-K126 WeakPolarHBondContact O-CA 3.25Å; D94-K126 WeakPolarHBondContact OD1-CD 3.5Å; D94-K126 WeakPolarHBondContact OD1-CE 3.4Å; D94-K126 IonicContact OD1-NZ 3.13Å; D94-K126 PolarHBondContact OD1-NZ 3.49Å; D94-K126 IonicContact OD2-NZ 3.97Å; D94-K126 PolarHBondContact OD2-NZ 3.12Å
127L94.8Very high95.8Very high9 Ų953.7 Ų53.75%0.04726%0.263CS..PPolyproline II helixtrans-77.6136.6173.1-167.860.5000109.1E93 L95 E131 V133 V149E93-L127 VanDerWaalsContact CA-O 3.27Å; E93-L127 WeakPolarHBondContact CA-O 3.21Å; E93-L127 VanDerWaalsContact CB-O 3.24Å; E93-L127 WeakPolarHBondContact CB-O 3.28Å; E93-L127 VanDerWaalsContact CG-O 3.29Å; E93-L127 WeakPolarHBondContact CG-O 3.33Å; E93-L127 PolarHBondContact O-N 3.2Å; L95-L127 HydrophobicContact CD2-CD2 4.09Å; L127-E131 HydrophobicContact CD1-CB 3.65Å; L127-E131 HydrophobicContact CG-CB 3.96Å; L127-V133 HydrophobicContact CD2-CB 4.34Å; L127-V133 HydrophobicContact CD2-CG1 3.9Å; L127-V149 HydrophobicContact CB-CG2 4.05Å; L127-V149 HydrophobicContact CD2-CG2 3.73Å; L127-V149 HydrophobicContact CG-CG2 3.9Å
128Q97.1Very high95.6Very high124 Ų12455.2 Ų55.258%0.57928%0.278SS*.PPolyproline II helixtrans-84.7154-176.5-58.1-167.4-23.700112.1G130 E131Q128-G130 PolarHBondContact O-N 3.37Å; Q128-E131 HydrophobicContact CB-CG 4.14Å; Q128-E131 PolarHBondContact N-OE2 2.73Å; Q128-E131 VanDerWaalsContact O-CB 3.32Å; Q128-E131 WeakPolarHBondContact O-CB 3.16Å; Q128-E131 PolarHBondContact O-N 3.03Å
129T97.1Very high95.6Very high39 Ų3956.1 Ų56.124%0.23929%0.29CS..THydrogen-bonded Turntrans-53.7128.6170.2-420000110.7E93 P151 F168E93-T129 PolarHBondContact OE1-OG1 2.72Å; T129-P151 VanDerWaalsContact CG2-CA 3.48Å; T129-P151 HydrophobicContact CG2-CB 4.02Å; T129-F168 HydrophobicContact CG2-CB 4.05Å; T129-F168 HydrophobicContact CG2-CD1 4.31Å; T129-F168 HydrophobicContact CG2-CG 4.3Å
130G97.1Very high95.4Very high0 Ų054 Ų540%028%0.279CS..THydrogen-bonded Turntrans90.82.9-174.600000114.8Q128 V149 F168 K171 A172Q128-G130 PolarHBondContact O-N 3.37Å; G130-V149 WeakPolarHBondContact CA-O 3.35Å; G130-V149 PolarHBondContact N-O 3.21Å; G130-F168 VanDerWaalsContact CA-O 3.32Å; G130-F168 WeakPolarHBondContact CA-O 3.39Å; G130-K171 CarbonylContact O-C 3.49Å; G130-K171 VanDerWaalsContact O-CG 3.3Å; G130-K171 WeakPolarHBondContact O-CG 3.43Å; G130-K171 VanDerWaalsContact O-O 3.12Å; G130-A172 VanDerWaalsContact O-CA 3.26Å; G130-A172 WeakPolarHBondContact O-CA 3.47Å; G130-A172 PolarHBondContact O-N 3.14Å; G130-A172 VanDerWaalsContact O-N 3.12Å
131E97.8Very high95Very high58 Ų5854.5 Ų54.527%0.27129%0.288SS..  trans-109.1158.3179.1-57.7-171.3155.700112.3L127 Q128 V149 K171L127-E131 HydrophobicContact CD1-CB 3.65Å; L127-E131 HydrophobicContact CG-CB 3.96Å; Q128-E131 HydrophobicContact CB-CG 4.14Å; Q128-E131 PolarHBondContact N-OE2 2.73Å; Q128-E131 VanDerWaalsContact O-CB 3.32Å; Q128-E131 WeakPolarHBondContact O-CB 3.16Å; Q128-E131 PolarHBondContact O-N 3.03Å; E131-V149 PolarHBondContact O-N 3.01Å; E131-K171 IonicContact OE1-NZ 3.58Å; E131-K171 PolarHBondContact OE1-NZ 3.28Å; E131-K171 VanDerWaalsContact OE1-NZ 3.15Å
132A98.4Very high94.8Very high5 Ų553.8 Ų53.84%0.04129%0.286CS..EExtended strand (participates in β ladder)trans-141.3141177.400000112.9I146 H147 A148 S175 I176 R179A132-I146 HydrophobicContact CB-CG2 3.96Å; A132-H147 CarbonylContact C-O 3.59Å; A132-H147 WeakPolarHBondContact CA-O 3.45Å; A132-H147 WeakPolarHBondContact CB-O 3.43Å; A132-A148 HydrophobicContact CB-CB 3.84Å; A132-S175 PolarHBondContact N-OG 2.78Å; A132-S175 PolarHBondContact O-OG 3.41Å; A132-I176 HydrophobicContact CB-CG1 3.96Å; A132-R179 PolarHBondContact O-NH1 2.81Å
133V98.4Very high94.8Very high13 Ų1352.5 Ų52.58%0.07928%0.282CS..EExtended strand (participates in β ladder)trans-122.3140.5176.5650000110.8L95 Y120 L127 L135 I146 H147L95-V133 HydrophobicContact CD1-CG1 3.93Å; L95-V133 HydrophobicContact CD2-CG1 4.49Å; Y120-V133 HydrophobicContact CD1-CG1 4.46Å; Y120-V133 HydrophobicContact CD2-CG2 3.86Å; Y120-V133 HydrophobicContact CE1-CB 4.33Å; Y120-V133 HydrophobicContact CE1-CG1 4.26Å; Y120-V133 HydrophobicContact CE1-CG2 4.22Å; Y120-V133 HydrophobicContact CE2-CB 4.34Å; Y120-V133 HydrophobicContact CE2-CG2 3.43Å; Y120-V133 VanDerWaalsContact CE2-CG2 3.43Å; Y120-V133 HydrophobicContact CG-CG2 4.42Å; L127-V133 HydrophobicContact CD2-CB 4.34Å; L127-V133 HydrophobicContact CD2-CG1 3.9Å; V133-L135 HydrophobicContact CG1-CD1 4.49Å; V133-L135 HydrophobicContact CG1-CG 4.36Å; V133-L135 HydrophobicContact CG2-CD2 3.94Å; V133-L135 HydrophobicContact CG2-CG 4.25Å; V133-I146 CarbonylContact O-C 3.59Å; V133-I146 WeakPolarHBondContact O-CA 3.43Å; V133-H147 HydrophobicContact CG1-CB 4.03Å; V133-H147 PolarHBondContact N-O 3.48Å; V133-H147 PolarHBondContact O-N 2.72Å
134A98.2Very high94.9Very high6 Ų648.4 Ų48.45%0.0526%0.264CS..EExtended strand (participates in β ladder)trans-101.8119.2175.300000111.1I145 I146 R179 Y183A134-I145 CarbonylContact C-O 3.46Å; A134-I145 WeakPolarHBondContact CA-O 3.48Å; A134-I146 HydrophobicContact CB-CG1 4.07Å; A134-R179 HydrophobicContact CB-CB 4.28Å; A134-R179 HydrophobicContact CB-CG 4.32Å; A134-Y183 HydrophobicContact CB-CD2 3.92Å; A134-Y183 HydrophobicContact CB-CE2 3.62Å
135L97.8Very high95.1Very high21 Ų2142.5 Ų42.511%0.1124%0.236CC..EExtended strand (participates in β ladder)trans-119.5-179.6-179.6-59.7-178.9000111.3E116 Y120 V133 K144 I145E116-L135 HydrophobicContact CB-CD1 4.38Å; Y120-L135 HydrophobicContact CD2-CD2 4.18Å; Y120-L135 HydrophobicContact CG-CD2 4.47Å; V133-L135 HydrophobicContact CG1-CD1 4.49Å; V133-L135 HydrophobicContact CG1-CG 4.36Å; V133-L135 HydrophobicContact CG2-CD2 3.94Å; V133-L135 HydrophobicContact CG2-CG 4.25Å; L135-K144 VanDerWaalsContact O-CD 3.27Å; L135-K144 WeakPolarHBondContact O-CD 3.45Å; L135-I145 HydrophobicContact CB-CG2 4.37Å; L135-I145 PolarHBondContact N-O 3.08Å; L135-I145 PolarHBondContact O-N 3.22Å
136G92.6Very high95.2Very high13 Ų1340.9 Ų40.913%0.13422%0.22CC..  trans-64.6137.4174.500000112E116 G138 I145E116-G136 WeakPolarHBondContact OE2-CA 3.06Å; E116-G136 PolarHBondContact OE2-N 3.39Å; G136-G138 PolarHBondContact O-N 2.87Å; G136-I145 WeakPolarHBondContact O-CG2 3.29Å
137P93.6Very high95.4Very high22 Ų2234.6 Ų34.614%0.14319%0.192CC..  trans-79.8-0.9-173.134.2-37.7000114S139 L140 C142 R143P137-S139 PolarHBondContact O-N 3Å; P137-L140 HydrophobicContact CB-CB 4.23Å; P137-L140 WeakPolarHBondContact O-CB 3.43Å; P137-L140 WeakPolarHBondContact O-CG 3.23Å; P137-L140 PolarHBondContact O-N 3.2Å; P137-L140 VanDerWaalsContact O-N 3.11Å; P137-C142 WeakPolarHBondContact CB-SG 3.43Å; P137-C142 VanDerWaalsContact CG-O 3.27Å; P137-C142 WeakPolarHBondContact CG-O 3.42Å; P137-R143 WeakPolarHBondContact CD-O 3.4Å
138G93.1Very high95.5Very high32 Ų3234.1 Ų34.133%0.3319%0.19SC..THydrogen-bonded Turntrans56.4-127.2-168.500000111.3G109 G136G109-G138 CarbonylContact O-C 3.55Å; G109-G138 VanDerWaalsContact O-CA 3.27Å; G109-G138 WeakPolarHBondContact O-CA 3.35Å; G136-G138 PolarHBondContact O-N 2.87Å
139S89.2Confident95.6Very high91 Ų9128.2 Ų28.264%0.63616%0.162SC*.THydrogen-bonded Turntrans-87.54.6176.9-570000115.1G109 P137G109-S139 PolarHBondContact O-N 3.47Å; P137-S139 PolarHBondContact O-N 3Å
140L89.1Confident95.6Very high9 Ų926.4 Ų26.45%0.04715%0.151CC..SBendtrans-66.2147.9177.7-66.8170.5000111.2T80 V87 L105 A108 I113 P137 C142 I145T80-L140 WeakPolarHBondContact O-CD2 3.41Å; V87-L140 HydrophobicContact CG2-CD1 3.98Å; L105-L140 HydrophobicContact CB-CD1 4.49Å; L105-L140 HydrophobicContact CD2-CD1 4.03Å; L105-L140 HydrophobicContact CD2-CD2 4.2Å; A108-L140 HydrophobicContact CB-CD2 3.7Å; I113-L140 HydrophobicContact CD1-CD1 3.66Å; I113-L140 HydrophobicContact CD1-CG 4.18Å; P137-L140 HydrophobicContact CB-CB 4.23Å; P137-L140 WeakPolarHBondContact O-CB 3.43Å; P137-L140 WeakPolarHBondContact O-CG 3.23Å; P137-L140 PolarHBondContact O-N 3.2Å; P137-L140 VanDerWaalsContact O-N 3.11Å; L140-C142 PolarHBondContact O-N 2.88Å; L140-I145 HydrophobicContact CD1-CD1 3.9Å
141P88.4Confident95.5Very high62 Ų6226.7 Ų26.740%0.40315%0.153SC..SBendtrans-79.849.7-178.936.2-38.2000112.4L83L83-P141 HydrophobicContact CD2-CB 3.93Å; L83-P141 HydrophobicContact CD2-CG 4.34Å
142C91.6Very high95.3Very high20 Ų2028.7 Ų28.714%0.13517%0.166CC..SBendtrans-140.8170.5177.862.80000110.6A84 V87 P137 L140 K144A84-C142 VanDerWaalsContact O-CA 3.31Å; A84-C142 WeakPolarHBondContact O-CA 3.42Å; A84-C142 WeakPolarHBondContact O-CB 3.14Å; V87-C142 HydrophobicContact CG1-CB 4.41Å; P137-C142 WeakPolarHBondContact CB-SG 3.43Å; P137-C142 VanDerWaalsContact CG-O 3.27Å; P137-C142 WeakPolarHBondContact CG-O 3.42Å; L140-C142 PolarHBondContact O-N 2.88Å; C142-K144 PolarHBondContact SG-O 3.49Å
143R95Very high94.7Very high151 Ų15129 Ų2957%0.5717%0.166SC*.SBendtrans-86.1-31.4178.9-62.8171.461.7-162.3-4.4112.3D85 P137D85-R143 WeakPolarHBondContact O-CA 3.32Å; D85-R143 WeakPolarHBondContact O-CB 3.47Å; D85-R143 PolarHBondContact O-N 3.34Å; D85-R143 WeakPolarHBondContact OD1-CD 3.15Å; P137-R143 WeakPolarHBondContact CD-O 3.4Å
144K97.7Very high93.6Very high51 Ų5131.5 Ų31.522%0.22218%0.183CC..EExtended strand (participates in β ladder)trans-141.6151-178.9-71.9-67.1-172.3167.80111D85 A86 V87 L135 C142 L185D85-K144 PolarHBondContact O-N 2.72Å; D85-K144 VanDerWaalsContact O-N 3.1Å; A86-K144 WeakPolarHBondContact CA-O 3.22Å; A86-K144 HydrophobicContact CB-CB 4.15Å; A86-K144 WeakPolarHBondContact CB-O 3.37Å; V87-K144 PolarHBondContact N-O 3.41Å; L135-K144 VanDerWaalsContact O-CD 3.27Å; L135-K144 WeakPolarHBondContact O-CD 3.45Å; C142-K144 PolarHBondContact SG-O 3.49Å; K144-L185 HydrophobicContact CB-CD1 4.48Å; K144-L185 HydrophobicContact CG-CD2 4.41Å
145I98.3Very high92.6Very high0 Ų035.7 Ų35.70%021%0.21CC..EExtended strand (participates in β ladder)trans-108.9130.8161.6-174.3168.8000107.9V87 N89 L105 I113 A134 L135 G136 L140 H147V87-I145 HydrophobicContact CG2-CG1 4.25Å; V87-I145 WeakPolarHBondContact O-CA 3.08Å; N89-I145 HydrophobicContact CB-CD1 4.07Å; N89-I145 HydrophobicContact CB-CG1 4.15Å; L105-I145 HydrophobicContact CB-CD1 4.26Å; L105-I145 HydrophobicContact CD1-CD1 4.41Å; I113-I145 HydrophobicContact CD1-CD1 3.92Å; I113-I145 HydrophobicContact CG2-CD1 4.31Å; A134-I145 CarbonylContact C-O 3.46Å; A134-I145 WeakPolarHBondContact CA-O 3.48Å; L135-I145 HydrophobicContact CB-CG2 4.37Å; L135-I145 PolarHBondContact N-O 3.08Å; L135-I145 PolarHBondContact O-N 3.22Å; G136-I145 WeakPolarHBondContact O-CG2 3.29Å; L140-I145 HydrophobicContact CD1-CD1 3.9Å; I145-H147 WeakPolarHBondContact CG2-NE2 3.33Å
146I98.8Very high91.5Very high0 Ų042.2 Ų42.20%025%0.245CC..EExtended strand (participates in β ladder)trans-105.5110.2178-59.8170.7000107.8A86 V87 V88 N89 A132 V133 A134 I176 R179 V180 L185 V188A86-I146 HydrophobicContact CB-CD1 3.9Å; A86-I146 HydrophobicContact CB-CG1 4.17Å; V87-I146 PolarHBondContact O-N 2.83Å; V88-I146 CarbonylContact C-O 3.51Å; V88-I146 VanDerWaalsContact CA-O 3.3Å; V88-I146 WeakPolarHBondContact CA-O 3.45Å; V88-I146 HydrophobicContact CG2-CB 4.2Å; N89-I146 PolarHBondContact N-O 2.91Å; A132-I146 HydrophobicContact CB-CG2 3.96Å; V133-I146 CarbonylContact O-C 3.59Å; V133-I146 WeakPolarHBondContact O-CA 3.43Å; A134-I146 HydrophobicContact CB-CG1 4.07Å; I146-I176 HydrophobicContact CD1-CG2 4.42Å; I146-I176 HydrophobicContact CG2-CG1 4.03Å; I146-I176 HydrophobicContact CG2-CG2 4.48Å; I146-R179 HydrophobicContact CD1-CB 4.08Å; I146-R179 HydrophobicContact CG1-CB 4.41Å; I146-R179 HydrophobicContact CG2-CB 4.45Å; I146-R179 HydrophobicContact CG2-CG 4.31Å; I146-V180 HydrophobicContact CD1-CG2 4.01Å; I146-L185 HydrophobicContact CD1-CD1 4.24Å; I146-V188 HydrophobicContact CD1-CG2 4.27Å
147H98.6Very high91.1Very high0 Ų042.5 Ų42.50%024%0.244CC..EExtended strand (participates in β ladder)trans-85.9116.5175.4-58.5-81.2000109.5N89 A91 L95 H97 A132 V133 I145N89-H147 PolarHBondContact ND2-ND1 2.84Å; A91-H147 HydrophobicContact CB-CB 3.99Å; L95-H147 HydrophobicContact CD2-CB 3.58Å; H97-H147 AromaticContact CE1-CE1 3.39Å; H97-H147 PolarHBondContact CE1-CE1 2.89Å; H97-H147 AromaticContact CE1-ND1 3.19Å; H97-H147 PolarHBondContact CE1-ND1 3.45Å; H97-H147 AromaticContact NE2-CE1 3.34Å; H97-H147 PolarHBondContact NE2-CE1 3.31Å; H97-H147 VanDerWaalsContact NE2-CE1 3.34Å; H97-H147 AromaticContact NE2-ND1 3.63Å; A132-H147 CarbonylContact C-O 3.59Å; A132-H147 WeakPolarHBondContact CA-O 3.45Å; A132-H147 WeakPolarHBondContact CB-O 3.43Å; V133-H147 HydrophobicContact CG1-CB 4.03Å; V133-H147 PolarHBondContact N-O 3.48Å; V133-H147 PolarHBondContact O-N 2.72Å; I145-H147 WeakPolarHBondContact CG2-NE2 3.33Å
148A98.6Very high90.8Very high0 Ų044.9 Ų44.90%026%0.26CS..EExtended strand (participates in β ladder)trans-118.3130.9-179.400000111.1V88 N89 A91 A132 I176 I193V88-A148 HydrophobicContact CG1-CB 4.07Å; N89-A148 PolarHBondContact O-N 3.43Å; A91-A148 PolarHBondContact N-O 3.42Å; A132-A148 HydrophobicContact CB-CB 3.84Å; A148-I176 HydrophobicContact CB-CD1 3.55Å; A148-I176 HydrophobicContact CB-CG1 3.68Å; A148-I193 HydrophobicContact CB-CD1 4.22Å
149V98.2Very high90.5Very high0 Ų052 Ų520%028%0.282CS..EExtended strand (participates in β ladder)trans-95.5105.8179.3-172.50000108.9E93 L127 G130 E131E93-V149 HydrophobicContact CG-CG1 3.98Å; L127-V149 HydrophobicContact CB-CG2 4.05Å; L127-V149 HydrophobicContact CD2-CG2 3.73Å; L127-V149 HydrophobicContact CG-CG2 3.9Å; G130-V149 WeakPolarHBondContact CA-O 3.35Å; G130-V149 PolarHBondContact N-O 3.21Å; E131-V149 PolarHBondContact O-N 3.01Å
150G96.5Very high90.7Very high1 Ų154.7 Ų54.71%0.0128%0.279CS..PPolyproline II helixtrans-86.1165.3172.900000112.1S194 F198G150-S194 VanDerWaalsContact C-OG 3.25Å; G150-S194 VanDerWaalsContact CA-OG 3.25Å; G150-S194 WeakPolarHBondContact CA-OG 3.18Å; G150-F198 WeakPolarHBondContact O-CD2 3.1Å; G150-F198 WeakPolarHBondContact O-CE2 3.5Å
151P96.1Very high90.7Very high5 Ų556.5 Ų56.53%0.03229%0.289CS..PPolyproline II helixtrans-68.1143.5175.928.9-34.9000112T129 A165 F168 L169 S194 Y200T129-P151 VanDerWaalsContact CG2-CA 3.48Å; T129-P151 HydrophobicContact CG2-CB 4.02Å; P151-A165 HydrophobicContact CB-CB 3.83Å; P151-A165 HydrophobicContact CG-CB 3.91Å; P151-F168 HydrophobicContact CB-CB 4.1Å; P151-F168 HydrophobicContact CG-CB 4.21Å; P151-L169 HydrophobicContact CG-CB 4.02Å; P151-S194 WeakPolarHBondContact CD-OG 3.32Å; P151-S194 VanDerWaalsContact O-CB 3.28Å; P151-S194 WeakPolarHBondContact O-CB 3.45Å; P151-S194 PolarHBondContact O-OG 3.12Å; P151-Y200 HydrophobicContact CG-CD2 3.88Å; P151-Y200 HydrophobicContact CG-CE2 3.83Å
152D92.9Very high90.9Very high101 Ų10154.6 Ų54.654%0.5428%0.275SS..PPolyproline II helixtrans-97.8137.9172.3-173.319.5000110.8F198D152-F198 HydrophobicContact CB-CB 4.33Å; D152-F198 HydrophobicContact CB-CD1 4.02Å; D152-F198 HydrophobicContact CB-CD2 4.12Å; D152-F198 HydrophobicContact CB-CE1 4.34Å; D152-F198 HydrophobicContact CB-CE2 4.42Å; D152-F198 HydrophobicContact CB-CG 3.91Å; D152-F198 VanDerWaalsContact OD1-CA 3.3Å; D152-F198 WeakPolarHBondContact OD1-CA 3.36Å
153L85.3Confident90.9Very high10 Ų1057.6 Ų57.65%0.05230%0.296CS..  trans-129.3147.6-176.3-75.1163.2000110.1P157 D161 A165 F198 N199 Y200L153-P157 HydrophobicContact CB-CB 4.14Å; L153-P157 HydrophobicContact CB-CG 4.18Å; L153-P157 HydrophobicContact CD1-CG 4.27Å; L153-P157 HydrophobicContact CD2-CB 4.12Å; L153-D161 HydrophobicContact CD2-CB 3.67Å; L153-A165 HydrophobicContact CD1-CB 4Å; L153-A165 HydrophobicContact CD2-CB 3.94Å; L153-A165 HydrophobicContact CG-CB 4.13Å; L153-F198 WeakPolarHBondContact CB-O 3.25Å; L153-F198 PolarHBondContact N-O 2.86Å; L153-N199 WeakPolarHBondContact O-CB 3.37Å; L153-N199 PolarHBondContact O-ND2 3.09Å; L153-Y200 HydrophobicContact CD1-CD1 4.46Å; L153-Y200 HydrophobicContact CD1-CD2 3.62Å; L153-Y200 HydrophobicContact CD1-CE2 4.13Å; L153-Y200 HydrophobicContact CD1-CG 3.81Å
154P76.5Confident90.9Very high66 Ų6656 Ų5643%0.42929%0.293SS..  trans-63.8153.9172.128.5-34.6000110.6N156 P157P154-N156 PolarHBondContact O-N 3.41Å; P154-P157 HydrophobicContact CG-CB 4.33Å; P154-P157 VanDerWaalsContact O-CD 3.25Å; P154-P157 WeakPolarHBondContact O-CD 3.17Å
155P76.2Confident90.8Very high94 Ų9453.9 Ų53.961%0.6129%0.285SS*.SBendtrans-55133.9172.9-25.134.2000111.7
156N75.6Confident90.8Very high159 Ų15957.6 Ų57.685%0.8530%0.301SS*.SBendtrans54.859.6-174-56.5-51.4000113.6P154P154-N156 PolarHBondContact O-N 3.41Å
157P83.8Confident90.8Very high18 Ų1861 Ų6112%0.11732%0.324CS..  trans-68138.8-172.228.1-32.6000111.6L153 P154 D161 I162 P201L153-P157 HydrophobicContact CB-CB 4.14Å; L153-P157 HydrophobicContact CB-CG 4.18Å; L153-P157 HydrophobicContact CD1-CG 4.27Å; L153-P157 HydrophobicContact CD2-CB 4.12Å; P154-P157 HydrophobicContact CG-CB 4.33Å; P154-P157 VanDerWaalsContact O-CD 3.25Å; P154-P157 WeakPolarHBondContact O-CD 3.17Å; P157-D161 HydrophobicContact CB-CB 4.33Å; P157-I162 HydrophobicContact CB-CG1 4.23Å; P157-I162 HydrophobicContact CG-CD1 4.39Å; P157-I162 HydrophobicContact CG-CG1 4Å; P157-P201 HydrophobicContact CG-CG 3.76Å
158P86.9Confident90.7Very high73 Ų7365.7 Ų65.747%0.47434%0.344SS..  trans-65.4157.6172.429.1-35000110.9Y160 D161 I162P158-Y160 PolarHBondContact O-N 3.03Å; P158-D161 VanDerWaalsContact CD-OD2 3.22Å; P158-D161 WeakPolarHBondContact CD-OD2 3.46Å; P158-D161 HydrophobicContact CG-CB 4.31Å; P158-D161 WeakPolarHBondContact CG-OD2 3.43Å; P158-D161 PolarHBondContact O-N 3.11Å; P158-I162 PolarHBondContact O-N 3.09Å
159K88.4Confident90.7Very high182 Ų18265.7 Ų65.779%0.79134%0.344SS*.Hα-helixtrans-52.6-29.6179.9-70.9-174.1178.1-179.80114.1S163K159-S163 WeakPolarHBondContact O-CB 3.45Å; K159-S163 PolarHBondContact O-N 2.79Å; K159-S163 VanDerWaalsContact O-N 3.07Å; K159-S163 PolarHBondContact O-OG 3.27Å
160Y92Very high90.7Very high147 Ų14768.8 Ų68.858%0.57636%0.359SS*.Hα-helixtrans-64.1-47.4177.2177.1-105.5000112.5P158 S163 K164P158-Y160 PolarHBondContact O-N 3.03Å; Y160-S163 WeakPolarHBondContact O-CB 3.44Å; Y160-S163 PolarHBondContact O-N 2.71Å; Y160-S163 VanDerWaalsContact O-N 3.17Å; Y160-K164 HydrophobicContact CD1-CD 4.4Å; Y160-K164 HydrophobicContact CE1-CD 3.77Å; Y160-K164 PolarHBondContact O-N 2.91Å; Y160-K164 WeakPolarHBondContact OH-CE 3.37Å; Y160-K164 PolarHBondContact OH-NZ 3.17Å
161D89.5Confident90.8Very high47 Ų4772.9 Ų72.925%0.25138%0.376SS..Hα-helixtrans-68.7-38.6-178.5-66-23.6000111L153 P157 P158 S163 K164 A165L153-D161 HydrophobicContact CD2-CB 3.67Å; P157-D161 HydrophobicContact CB-CB 4.33Å; P158-D161 VanDerWaalsContact CD-OD2 3.22Å; P158-D161 WeakPolarHBondContact CD-OD2 3.46Å; P158-D161 HydrophobicContact CG-CB 4.31Å; P158-D161 WeakPolarHBondContact CG-OD2 3.43Å; P158-D161 PolarHBondContact O-N 3.11Å; D161-S163 VanDerWaalsContact C-N 3.28Å; D161-S163 PolarHBondContact O-N 2.58Å; D161-K164 PolarHBondContact O-N 2.87Å; D161-A165 WeakPolarHBondContact O-CB 3.24Å; D161-A165 PolarHBondContact O-N 3.48Å
162I92.1Very high90.9Very high22 Ų2272.6 Ų72.611%0.11337%0.374CS..Hα-helixtrans-58.5-43172.5-55.9168.5000110.5P157 P158 K164 A165 K166 Y200 P201 E204P157-I162 HydrophobicContact CB-CG1 4.23Å; P157-I162 HydrophobicContact CG-CD1 4.39Å; P157-I162 HydrophobicContact CG-CG1 4Å; P158-I162 PolarHBondContact O-N 3.09Å; I162-K164 VanDerWaalsContact C-N 3.33Å; I162-K164 PolarHBondContact O-N 2.92Å; I162-A165 PolarHBondContact O-N 3.41Å; I162-K166 PolarHBondContact O-N 3.36Å; I162-Y200 HydrophobicContact CG2-CE1 4.09Å; I162-P201 HydrophobicContact CD1-CG 3.71Å; I162-P201 HydrophobicContact CG1-CG 4.09Å; I162-E204 HydrophobicContact CG2-CB 4.2Å; I162-E204 HydrophobicContact CG2-CG 4.23Å
163S92.9Very high91.2Very high82 Ų8267.8 Ų67.857%0.57335%0.349SS*.Hα-helixtrans-66.5-35.1179.7-57.70000112.3K159 Y160 D161 P167K159-S163 WeakPolarHBondContact O-CB 3.45Å; K159-S163 PolarHBondContact O-N 2.79Å; K159-S163 VanDerWaalsContact O-N 3.07Å; K159-S163 PolarHBondContact O-OG 3.27Å; Y160-S163 WeakPolarHBondContact O-CB 3.44Å; Y160-S163 PolarHBondContact O-N 2.71Å; Y160-S163 VanDerWaalsContact O-N 3.17Å; D161-S163 VanDerWaalsContact C-N 3.28Å; D161-S163 PolarHBondContact O-N 2.58Å; S163-P167 WeakPolarHBondContact O-CD 3.45Å
164K95Very high91.8Very high117 Ų11773 Ų7351%0.50937%0.371SS..Hα-helixtrans-72.8-34.7173.7-83.6-173.81661760113.6Y160 D161 I162 P167 F168Y160-K164 HydrophobicContact CD1-CD 4.4Å; Y160-K164 HydrophobicContact CE1-CD 3.77Å; Y160-K164 PolarHBondContact O-N 2.91Å; Y160-K164 WeakPolarHBondContact OH-CE 3.37Å; Y160-K164 PolarHBondContact OH-NZ 3.17Å; D161-K164 PolarHBondContact O-N 2.87Å; I162-K164 VanDerWaalsContact C-N 3.33Å; I162-K164 PolarHBondContact O-N 2.92Å; K164-P167 WeakPolarHBondContact O-CD 3.49Å; K164-F168 WeakPolarHBondContact O-CD2 3.16Å
165A95.6Very high92.8Very high7 Ų770.4 Ų70.46%0.05836%0.355CS..Hα-helixtrans-75.3-30.8179.900000112.4P151 L153 D161 I162 F168 L169 Y200P151-A165 HydrophobicContact CB-CB 3.83Å; P151-A165 HydrophobicContact CG-CB 3.91Å; L153-A165 HydrophobicContact CD1-CB 4Å; L153-A165 HydrophobicContact CD2-CB 3.94Å; L153-A165 HydrophobicContact CG-CB 4.13Å; D161-A165 WeakPolarHBondContact O-CB 3.24Å; D161-A165 PolarHBondContact O-N 3.48Å; I162-A165 PolarHBondContact O-N 3.41Å; A165-F168 WeakPolarHBondContact O-CB 3.47Å; A165-F168 PolarHBondContact O-N 3.1Å; A165-L169 PolarHBondContact O-N 3.33Å; A165-L169 VanDerWaalsContact O-N 3.17Å; A165-Y200 HydrophobicContact CB-CD2 4.39Å; A165-Y200 HydrophobicContact CB-CE2 3.75Å
166K97.3Very high93.9Very high78 Ų7866 Ų6634%0.33933%0.326SS..Hα-helixtrans-49.3-50.2-176.6176.4178.3174.4-177.90114.4I162 F168 L169 E170 Y200 T208I162-K166 PolarHBondContact O-N 3.36Å; K166-F168 PolarHBondContact O-N 3.36Å; K166-L169 PolarHBondContact O-N 3.21Å; K166-E170 WeakPolarHBondContact CE-OE1 3.31Å; K166-E170 HydrophobicContact CG-CG 4.43Å; K166-E170 IonicContact NZ-OE1 2.99Å; K166-E170 WeakPolarHBondContact O-CG 3.31Å; K166-E170 PolarHBondContact O-N 3.5Å; K166-Y200 VanDerWaalsContact CA-OH 3.29Å; K166-Y200 WeakPolarHBondContact CA-OH 3.16Å; K166-Y200 PolarHBondContact N-OH 3.47Å; K166-T208 HydrophobicContact CG-CG2 3.99Å
167P98Very high94.9Very high72 Ų7258.4 Ų58.447%0.46829%0.285SS..Hα-helixtrans-59.7-31.6178.3-24.734.7000114S163 K164 K171S163-P167 WeakPolarHBondContact O-CD 3.45Å; K164-P167 WeakPolarHBondContact O-CD 3.49Å; P167-K171 WeakPolarHBondContact O-CB 3.26Å; P167-K171 PolarHBondContact O-N 2.98Å
168F98.1Very high95.5Very high99 Ų9960 Ų6043%0.43429%0.293SS..Hα-helixtrans-73.3-38.8177.4-67.2-77000112T129 G130 P151 K164 A165 K166 E170 K171 A172T129-F168 HydrophobicContact CG2-CB 4.05Å; T129-F168 HydrophobicContact CG2-CD1 4.31Å; T129-F168 HydrophobicContact CG2-CG 4.3Å; G130-F168 VanDerWaalsContact CA-O 3.32Å; G130-F168 WeakPolarHBondContact CA-O 3.39Å; P151-F168 HydrophobicContact CB-CB 4.1Å; P151-F168 HydrophobicContact CG-CB 4.21Å; K164-F168 WeakPolarHBondContact O-CD2 3.16Å; A165-F168 WeakPolarHBondContact O-CB 3.47Å; A165-F168 PolarHBondContact O-N 3.1Å; K166-F168 PolarHBondContact O-N 3.36Å; F168-E170 VanDerWaalsContact C-N 3.34Å; F168-K171 PolarHBondContact O-N 3.27Å; F168-A172 PolarHBondContact O-N 2.99Å
169L98.3Very high96Very high0 Ų059.2 Ų59.20%028%0.28CS..Hα-helixtrans-66.5-38.6173.1-177.258000111.1P151 A165 K166 A172 I173 I193 Y200 C205 T208 I209P151-L169 HydrophobicContact CG-CB 4.02Å; A165-L169 PolarHBondContact O-N 3.33Å; A165-L169 VanDerWaalsContact O-N 3.17Å; K166-L169 PolarHBondContact O-N 3.21Å; L169-A172 PolarHBondContact O-N 3.48Å; L169-I173 WeakPolarHBondContact O-CG1 3.29Å; L169-I173 PolarHBondContact O-N 3.16Å; L169-I193 HydrophobicContact CD1-CB 4.1Å; L169-I193 HydrophobicContact CD1-CG2 4.1Å; L169-Y200 HydrophobicContact CB-CE2 4.16Å; L169-Y200 HydrophobicContact CD2-CD2 4.1Å; L169-Y200 HydrophobicContact CD2-CE1 4.31Å; L169-Y200 HydrophobicContact CD2-CE2 3.79Å; L169-Y200 HydrophobicContact CD2-CG 4.48Å; L169-C205 HydrophobicContact CD2-CB 4.5Å; L169-T208 HydrophobicContact CB-CG2 4.05Å; L169-T208 HydrophobicContact CD2-CG2 3.88Å; L169-T208 HydrophobicContact CG-CG2 3.92Å; L169-I209 HydrophobicContact CD1-CG1 4.36Å; L169-I209 HydrophobicContact CD2-CG1 4.33Å; L169-I209 HydrophobicContact CG-CG1 4.43Å
170E98.2Very high96.4Very high65 Ų6550.5 Ų50.530%0.30424%0.243SC..Hα-helixtrans-61.4-43.2171.8-68.3176.6164.300111.6K166 F168 I173 K174 T208 A212K166-E170 WeakPolarHBondContact CE-OE1 3.31Å; K166-E170 HydrophobicContact CG-CG 4.43Å; K166-E170 IonicContact NZ-OE1 2.99Å; K166-E170 WeakPolarHBondContact O-CG 3.31Å; K166-E170 PolarHBondContact O-N 3.5Å; F168-E170 VanDerWaalsContact C-N 3.34Å; E170-I173 PolarHBondContact O-N 3.37Å; E170-K174 WeakPolarHBondContact O-CB 3.3Å; E170-K174 PolarHBondContact O-N 3.02Å; E170-T208 HydrophobicContact CG-CG2 3.57Å; E170-A212 HydrophobicContact CB-CB 4.47Å; E170-A212 HydrophobicContact CG-CB 4.34Å
171K98.3Very high96.4Very high86 Ų8645.8 Ų45.837%0.37423%0.227SC..Hα-helixtrans-61.8-42.9174.8-166-166.4167.3-164.90111.5G130 E131 P167 F168 I173 K174 S175G130-K171 CarbonylContact O-C 3.49Å; G130-K171 VanDerWaalsContact O-CG 3.3Å; G130-K171 WeakPolarHBondContact O-CG 3.43Å; G130-K171 VanDerWaalsContact O-O 3.12Å; E131-K171 IonicContact OE1-NZ 3.58Å; E131-K171 PolarHBondContact OE1-NZ 3.28Å; E131-K171 VanDerWaalsContact OE1-NZ 3.15Å; P167-K171 WeakPolarHBondContact O-CB 3.26Å; P167-K171 PolarHBondContact O-N 2.98Å; F168-K171 PolarHBondContact O-N 3.27Å; K171-I173 PolarHBondContact O-N 3.48Å; K171-K174 WeakPolarHBondContact O-CB 3.48Å; K171-K174 PolarHBondContact O-N 3.29Å; K171-S175 WeakPolarHBondContact O-CB 3.29Å; K171-S175 PolarHBondContact O-N 2.89Å
172A98.4Very high96.7Very high0 Ų048.2 Ų48.20%024%0.237CC..Hα-helixtrans-60.3-46.7177.900000111.5G130 F168 L169 S175 I176G130-A172 VanDerWaalsContact O-CA 3.26Å; G130-A172 WeakPolarHBondContact O-CA 3.47Å; G130-A172 PolarHBondContact O-N 3.14Å; G130-A172 VanDerWaalsContact O-N 3.12Å; F168-A172 PolarHBondContact O-N 2.99Å; L169-A172 PolarHBondContact O-N 3.48Å; A172-S175 PolarHBondContact O-N 3.25Å; A172-I176 WeakPolarHBondContact O-CD1 3.39Å; A172-I176 WeakPolarHBondContact O-CG1 3.39Å; A172-I176 PolarHBondContact O-N 3.47Å
173I98.6Very high96.8Very high0 Ų050.9 Ų50.90%025%0.246CC..Hα-helixtrans-63.5-43.9177.1-64.6-62000111L169 E170 K171 S175 I176 L177 I190 I193 I209 A212 I213L169-I173 WeakPolarHBondContact O-CG1 3.29Å; L169-I173 PolarHBondContact O-N 3.16Å; E170-I173 PolarHBondContact O-N 3.37Å; K171-I173 PolarHBondContact O-N 3.48Å; I173-S175 VanDerWaalsContact C-N 3.34Å; I173-S175 PolarHBondContact O-N 3.11Å; I173-I176 HydrophobicContact CD1-CD1 4.02Å; I173-I176 WeakPolarHBondContact O-CB 3.25Å; I173-I176 PolarHBondContact O-N 2.93Å; I173-L177 HydrophobicContact CG2-CD1 4.19Å; I173-L177 VanDerWaalsContact O-CG 3.32Å; I173-L177 WeakPolarHBondContact O-CG 3.13Å; I173-L177 PolarHBondContact O-N 3.39Å; I173-L177 VanDerWaalsContact O-N 3.09Å; I173-I190 HydrophobicContact CD1-CG2 3.99Å; I173-I193 HydrophobicContact CD1-CD1 3.82Å; I173-I209 HydrophobicContact CD1-CB 4.34Å; I173-I209 HydrophobicContact CD1-CG1 3.94Å; I173-I209 HydrophobicContact CD1-CG2 3.89Å; I173-I209 HydrophobicContact CG1-CB 4.45Å; I173-I209 HydrophobicContact CG1-CG1 4.09Å; I173-I209 HydrophobicContact CG1-CG2 4.4Å; I173-A212 HydrophobicContact CB-CB 3.86Å; I173-A212 HydrophobicContact CG1-CB 4.43Å; I173-A212 HydrophobicContact CG2-CB 3.68Å; I173-I213 HydrophobicContact CG2-CG1 3.84Å
174K98Very high96.9Very high118 Ų11853 Ų5351%0.51325%0.247SC..Hα-helixtrans-56.7-49173-179.2178.5177.7-175.60111.3E170 K171 I176 L177 D178 Y216E170-K174 WeakPolarHBondContact O-CB 3.3Å; E170-K174 PolarHBondContact O-N 3.02Å; K171-K174 WeakPolarHBondContact O-CB 3.48Å; K171-K174 PolarHBondContact O-N 3.29Å; K174-I176 VanDerWaalsContact C-N 3.27Å; K174-I176 PolarHBondContact O-N 3.09Å; K174-L177 PolarHBondContact O-N 2.88Å; K174-D178 VanDerWaalsContact O-CG 3.26Å; K174-D178 PolarHBondContact O-N 3.11Å; K174-Y216 HydrophobicContact CG-CD2 3.96Å; K174-Y216 HydrophobicContact CG-CE2 3.95Å
175S98.3Very high96.9Very high13 Ų1347.5 Ų47.59%0.09122%0.223CC..Hα-helixtrans-62.1-33.4-179.7-169.60000112.7A132 K171 A172 I173 R179A132-S175 PolarHBondContact N-OG 2.78Å; A132-S175 PolarHBondContact O-OG 3.41Å; K171-S175 WeakPolarHBondContact O-CB 3.29Å; K171-S175 PolarHBondContact O-N 2.89Å; A172-S175 PolarHBondContact O-N 3.25Å; I173-S175 VanDerWaalsContact C-N 3.34Å; I173-S175 PolarHBondContact O-N 3.11Å; S175-R179 WeakPolarHBondContact O-CG 3.39Å; S175-R179 PolarHBondContact O-N 3.35Å; S175-R179 PolarHBondContact OG-NH1 3.1Å
176I98.6Very high96.9Very high0 Ų048.4 Ų48.40%023%0.23CC..Hα-helixtrans-63-47.6172-71.9155.6000110.4V88 A132 I146 A148 A172 I173 K174 D178 R179 V180 V188 I190 I193V88-I176 HydrophobicContact CG1-CD1 3.67Å; V88-I176 HydrophobicContact CG1-CG1 4.1Å; V88-I176 HydrophobicContact CG2-CD1 4.4Å; V88-I176 HydrophobicContact CG2-CG1 4.39Å; V88-I176 HydrophobicContact CG2-CG2 3.65Å; A132-I176 HydrophobicContact CB-CG1 3.96Å; I146-I176 HydrophobicContact CD1-CG2 4.42Å; I146-I176 HydrophobicContact CG2-CG1 4.03Å; I146-I176 HydrophobicContact CG2-CG2 4.48Å; A148-I176 HydrophobicContact CB-CD1 3.55Å; A148-I176 HydrophobicContact CB-CG1 3.68Å; A172-I176 WeakPolarHBondContact O-CD1 3.39Å; A172-I176 WeakPolarHBondContact O-CG1 3.39Å; A172-I176 PolarHBondContact O-N 3.47Å; I173-I176 HydrophobicContact CD1-CD1 4.02Å; I173-I176 WeakPolarHBondContact O-CB 3.25Å; I173-I176 PolarHBondContact O-N 2.93Å; K174-I176 VanDerWaalsContact C-N 3.27Å; K174-I176 PolarHBondContact O-N 3.09Å; I176-D178 VanDerWaalsContact C-N 3.31Å; I176-D178 PolarHBondContact O-N 2.96Å; I176-R179 WeakPolarHBondContact O-CB 3.36Å; I176-R179 PolarHBondContact O-N 3.42Å; I176-R179 VanDerWaalsContact O-N 3.15Å; I176-V180 WeakPolarHBondContact O-CG2 3.49Å; I176-V180 PolarHBondContact O-N 3.5Å; I176-V188 HydrophobicContact CG2-CG2 4.46Å; I176-I190 HydrophobicContact CG2-CD1 4.11Å; I176-I190 HydrophobicContact CG2-CG1 4.47Å; I176-I193 HydrophobicContact CD1-CD1 3.35Å
177L97.1Very high96.9Very high1 Ų146 Ų461%0.00522%0.222CC..Hα-helixtrans-67.9-33.1-178.2-60175.7000111.7I173 K174 R179 V180 D181 I190 I213 Y216 Y217 I230I173-L177 HydrophobicContact CG2-CD1 4.19Å; I173-L177 VanDerWaalsContact O-CG 3.32Å; I173-L177 WeakPolarHBondContact O-CG 3.13Å; I173-L177 PolarHBondContact O-N 3.39Å; I173-L177 VanDerWaalsContact O-N 3.09Å; K174-L177 PolarHBondContact O-N 2.88Å; L177-R179 VanDerWaalsContact C-N 3.33Å; L177-R179 PolarHBondContact O-N 3.38Å; L177-V180 WeakPolarHBondContact O-CB 3.43Å; L177-V180 PolarHBondContact O-N 2.89Å; L177-V180 VanDerWaalsContact O-N 3.16Å; L177-D181 PolarHBondContact O-N 3.06Å; L177-I190 HydrophobicContact CD2-CD1 4.35Å; L177-I213 HydrophobicContact CD1-CG1 4.35Å; L177-Y216 HydrophobicContact CB-CD1 3.91Å; L177-Y216 HydrophobicContact CB-CD2 4.16Å; L177-Y216 HydrophobicContact CB-CE1 3.65Å; L177-Y216 HydrophobicContact CB-CE2 3.93Å; L177-Y216 HydrophobicContact CB-CG 4.15Å; L177-Y216 HydrophobicContact CD1-CD1 3.59Å; L177-Y216 HydrophobicContact CD1-CD2 4.04Å; L177-Y216 HydrophobicContact CD1-CE1 4.24Å; L177-Y216 HydrophobicContact CD1-CG 3.47Å; L177-Y216 VanDerWaalsContact CD1-CG 3.47Å; L177-Y216 HydrophobicContact CG-CD1 4.35Å; L177-Y216 HydrophobicContact CG-CG 4.46Å; L177-Y217 HydrophobicContact CD1-CE2 3.95Å; L177-Y217 HydrophobicContact CD2-CE2 4.05Å; L177-I230 HydrophobicContact CD2-CD1 3.94Å
178D96.1Very high97Very high52 Ų5242.5 Ų42.528%0.27820%0.2SC..Hα-helixtrans-61-41.1170.6-62.8-25.6000110.9K174 I176 V180 D181 E182 Y216K174-D178 VanDerWaalsContact O-CG 3.26Å; K174-D178 PolarHBondContact O-N 3.11Å; I176-D178 VanDerWaalsContact C-N 3.31Å; I176-D178 PolarHBondContact O-N 2.96Å; D178-V180 VanDerWaalsContact C-N 3.34Å; D178-D181 PolarHBondContact O-N 3.49Å; D178-E182 WeakPolarHBondContact O-CB 3.44Å; D178-E182 PolarHBondContact O-N 3.1Å; D178-Y216 WeakPolarHBondContact OD1-CE2 3.5Å; D178-Y216 PolarHBondContact OD1-OH 3.03Å
179R97.7Very high97Very high55 Ų5537.8 Ų37.821%0.20818%0.179CC..Hα-helixtrans-67.4-33.7174-61.5-6382.876.72.1112.2A132 A134 I146 S175 I176 L177 D181 E182 Y183A132-R179 PolarHBondContact O-NH1 2.81Å; A134-R179 HydrophobicContact CB-CB 4.28Å; A134-R179 HydrophobicContact CB-CG 4.32Å; I146-R179 HydrophobicContact CD1-CB 4.08Å; I146-R179 HydrophobicContact CG1-CB 4.41Å; I146-R179 HydrophobicContact CG2-CB 4.45Å; I146-R179 HydrophobicContact CG2-CG 4.31Å; S175-R179 WeakPolarHBondContact O-CG 3.39Å; S175-R179 PolarHBondContact O-N 3.35Å; S175-R179 PolarHBondContact OG-NH1 3.1Å; I176-R179 WeakPolarHBondContact O-CB 3.36Å; I176-R179 PolarHBondContact O-N 3.42Å; I176-R179 VanDerWaalsContact O-N 3.15Å; L177-R179 VanDerWaalsContact C-N 3.33Å; L177-R179 PolarHBondContact O-N 3.38Å; R179-D181 VanDerWaalsContact C-N 3.32Å; R179-E182 IonicContact CZ-OE2 2.66Å; R179-E182 VanDerWaalsContact CZ-OE2 3.27Å; R179-E182 IonicContact NE-OE2 2.7Å; R179-E182 PolarHBondContact NE-OE2 2.79Å; R179-E182 IonicContact NH2-OE2 3.15Å; R179-E182 PolarHBondContact NH2-OE2 2.8Å; R179-Y183 WeakPolarHBondContact O-CD2 3.43Å; R179-Y183 PolarHBondContact O-N 3.27Å; R179-Y183 VanDerWaalsContact O-N 3.13Å
180V96.1Very high97Very high0 Ų037.8 Ų37.80%018%0.179CC..Hα-helixtrans-64.5-40.1176.6169.30000111.1I146 I176 L177 D178 H184 L185 V188 P227I146-V180 HydrophobicContact CD1-CG2 4.01Å; I176-V180 WeakPolarHBondContact O-CG2 3.49Å; I176-V180 PolarHBondContact O-N 3.5Å; L177-V180 WeakPolarHBondContact O-CB 3.43Å; L177-V180 PolarHBondContact O-N 2.89Å; L177-V180 VanDerWaalsContact O-N 3.16Å; D178-V180 VanDerWaalsContact C-N 3.34Å; V180-H184 PolarHBondContact O-N 2.76Å; V180-L185 HydrophobicContact CG1-CB 4.22Å; V180-L185 HydrophobicContact CG2-CD1 4.46Å; V180-L185 PolarHBondContact O-N 3.11Å; V180-V188 HydrophobicContact CG2-CB 3.78Å; V180-V188 HydrophobicContact CG2-CG1 3.84Å; V180-V188 HydrophobicContact CG2-CG2 3.87Å; V180-P227 HydrophobicContact CG1-CB 3.94Å; V180-P227 HydrophobicContact CG1-CG 3.97Å
181D92.7Very high97Very high47 Ų4734.8 Ų34.825%0.25117%0.165SC..Hα-helixtrans-66.7-53173.5-174.357.6000111.6L177 D178 R179 Y183 H184 H225L177-D181 PolarHBondContact O-N 3.06Å; D178-D181 PolarHBondContact O-N 3.49Å; R179-D181 VanDerWaalsContact C-N 3.32Å; D181-Y183 VanDerWaalsContact C-N 3.28Å; D181-Y183 PolarHBondContact O-N 2.83Å; D181-H184 PolarHBondContact O-N 2.99Å; D181-H184 PolarHBondContact O-ND1 2.85Å; D181-H225 WeakPolarHBondContact OD1-CA 3.44Å; D181-H225 VanDerWaalsContact OD1-CB 3.23Å; D181-H225 WeakPolarHBondContact OD1-CB 3.22Å; D181-H225 PolarHBondContact OD1-N 2.91Å
182E94.4Very high96.9Very high99 Ų9931 Ų3146%0.46315%0.15SC..Hα-helixtrans-54.5-39.3-178.3-176.5-175.4149.500113.5D178 R179D178-E182 WeakPolarHBondContact O-CB 3.44Å; D178-E182 PolarHBondContact O-N 3.1Å; R179-E182 IonicContact CZ-OE2 2.66Å; R179-E182 VanDerWaalsContact CZ-OE2 3.27Å; R179-E182 IonicContact NE-OE2 2.7Å; R179-E182 PolarHBondContact NE-OE2 2.79Å; R179-E182 IonicContact NH2-OE2 3.15Å; R179-E182 PolarHBondContact NH2-OE2 2.8Å
183Y95.1Very high96.7Very high78 Ų7831 Ų3131%0.30615%0.15SC..THydrogen-bonded Turntrans-98.38-179.1-70.5-84.6000113.7A134 R179 D181 L185A134-Y183 HydrophobicContact CB-CD2 3.92Å; A134-Y183 HydrophobicContact CB-CE2 3.62Å; R179-Y183 WeakPolarHBondContact O-CD2 3.43Å; R179-Y183 PolarHBondContact O-N 3.27Å; R179-Y183 VanDerWaalsContact O-N 3.13Å; D181-Y183 VanDerWaalsContact C-N 3.28Å; D181-Y183 PolarHBondContact O-N 2.83Å; Y183-L185 VanDerWaalsContact C-N 3.27Å; Y183-L185 PolarHBondContact O-N 3.09Å
184H94.4Very high96.4Very high127 Ų12731.4 Ų31.459%0.58815%0.152SC*.THydrogen-bonded Turntrans47.847-178.5-59.7-57.4000113.3V180 D181 H225V180-H184 PolarHBondContact O-N 2.76Å; D181-H184 PolarHBondContact O-N 2.99Å; D181-H184 PolarHBondContact O-ND1 2.85Å; H184-H225 AromaticContact ND1-CG 3.81Å
185L95.9Very high95.9Very high1 Ų127.3 Ų27.31%0.00514%0.139CC..  trans-79.9130.2-177.9-59.2170.4000109.1D85 A86 K144 I146 V180 Y183 H225D85-L185 HydrophobicContact CB-CB 4.08Å; D85-L185 HydrophobicContact CB-CD2 3.84Å; A86-L185 HydrophobicContact CB-CD1 3.54Å; K144-L185 HydrophobicContact CB-CD1 4.48Å; K144-L185 HydrophobicContact CG-CD2 4.41Å; I146-L185 HydrophobicContact CD1-CD1 4.24Å; V180-L185 HydrophobicContact CG1-CB 4.22Å; V180-L185 HydrophobicContact CG2-CD1 4.46Å; V180-L185 PolarHBondContact O-N 3.11Å; Y183-L185 VanDerWaalsContact C-N 3.27Å; Y183-L185 PolarHBondContact O-N 3.09Å; L185-H225 PolarHBondContact O-NE2 3.46Å
186A95.7Very high95.4Very high25 Ų2529.2 Ų29.221%0.20716%0.161CC..SBendtrans-83.3-22.9-179.400000111.8D85 P227 K228 E229D85-A186 VanDerWaalsContact OD2-CA 3.27Å; D85-A186 WeakPolarHBondContact OD2-CA 3.23Å; D85-A186 VanDerWaalsContact OD2-CB 3.22Å; D85-A186 WeakPolarHBondContact OD2-CB 3.5Å; D85-A186 PolarHBondContact OD2-N 2.9Å; A186-P227 CarbonylContact O-C 3.52Å; A186-P227 WeakPolarHBondContact O-CB 3.33Å; A186-K228 HydrophobicContact CB-CD 4.33Å; A186-K228 HydrophobicContact CB-CG 4.35Å; A186-K228 PolarHBondContact O-N 3.22Å; A186-E229 PolarHBondContact O-N 3.48Å
187T97.8Very high94.5Very high27 Ų2735.1 Ų35.117%0.16619%0.192CC..EExtended strand (participates in β ladder)trans-142.4143.2178.255.70000113.2D85 A86 E229 F231D85-T187 WeakPolarHBondContact CB-O 3.45Å; D85-T187 PolarHBondContact N-O 2.85Å; D85-T187 PolarHBondContact N-OG1 3.17Å; D85-T187 PolarHBondContact OD2-N 3.14Å; D85-T187 PolarHBondContact OD2-OG1 2.75Å; A86-T187 PolarHBondContact N-O 3.41Å; A86-T187 VanDerWaalsContact N-O 3.12Å; T187-E229 VanDerWaalsContact CA-O 3.31Å; T187-E229 WeakPolarHBondContact CA-O 3.35Å; T187-E229 HydrophobicContact CG2-CB 4.24Å; T187-F231 HydrophobicContact CG2-CE2 3.94Å; T187-F231 HydrophobicContact CG2-CZ 4.01Å
188V98.3Very high93.9Very high0 Ų037.1 Ų37.10%020%0.2CC..EExtended strand (participates in β ladder)trans-139.7136.7177.562.60000111.2A86 V88 I146 I176 V180 I190 E229 I230 F231A86-V188 HydrophobicContact CB-CG2 4.3Å; A86-V188 CarbonylContact O-C 3.52Å; A86-V188 WeakPolarHBondContact O-CA 3.12Å; V88-V188 HydrophobicContact CG2-CG2 3.74Å; I146-V188 HydrophobicContact CD1-CG2 4.27Å; I176-V188 HydrophobicContact CG2-CG2 4.46Å; V180-V188 HydrophobicContact CG2-CB 3.78Å; V180-V188 HydrophobicContact CG2-CG1 3.84Å; V180-V188 HydrophobicContact CG2-CG2 3.87Å; V188-I190 HydrophobicContact CG1-CD1 4.32Å; V188-I190 HydrophobicContact CG1-CG1 4.3Å; V188-I190 HydrophobicContact CG2-CG1 4.14Å; V188-E229 PolarHBondContact N-O 3.32Å; V188-I230 HydrophobicContact CG1-CB 4.39Å; V188-I230 HydrophobicContact CG1-CG1 3.93Å; V188-I230 HydrophobicContact CG1-CG2 4.21Å; V188-F231 WeakPolarHBondContact O-CD2 3.48Å; V188-F231 PolarHBondContact O-N 3.48Å
189A98.4Very high93.4Very high0 Ų037.6 Ų37.60%020%0.203CC..EExtended strand (participates in β ladder)trans-105.9115.9175.800000111.4L79 F82 A84 A86 V87 V88 F231 A233L79-A189 HydrophobicContact CD2-CB 3.45Å; L79-A189 VanDerWaalsContact CD2-CB 3.45Å; F82-A189 HydrophobicContact CD1-CB 3.63Å; F82-A189 HydrophobicContact CE1-CB 3.8Å; A84-A189 HydrophobicContact CB-CB 4.21Å; A86-A189 PolarHBondContact O-N 3.47Å; V87-A189 HydrophobicContact CG1-CB 4.38Å; V88-A189 WeakPolarHBondContact CB-O 3.28Å; V88-A189 WeakPolarHBondContact CG2-O 3.49Å; V88-A189 PolarHBondContact N-O 2.67Å; A189-F231 CarbonylContact C-O 3.59Å; A189-F231 WeakPolarHBondContact CA-O 3.42Å; A189-F231 HydrophobicContact CB-CB 4.12Å; A189-F231 HydrophobicContact CB-CD2 4.28Å; A189-A233 HydrophobicContact CB-CB 4.47Å
190I98.6Very high93.1Very high0 Ų035.1 Ų35.10%019%0.194CC..EExtended strand (participates in β ladder)trans-111.6120.1-173.8-47.8-175.5000109.3V88 I173 I176 L177 V188 I193 I213 I230 F231 L232 A233V88-I190 HydrophobicContact CG2-CB 4.47Å; V88-I190 HydrophobicContact CG2-CG1 3.99Å; I173-I190 HydrophobicContact CD1-CG2 3.99Å; I176-I190 HydrophobicContact CG2-CD1 4.11Å; I176-I190 HydrophobicContact CG2-CG1 4.47Å; L177-I190 HydrophobicContact CD2-CD1 4.35Å; V188-I190 HydrophobicContact CG1-CD1 4.32Å; V188-I190 HydrophobicContact CG1-CG1 4.3Å; V188-I190 HydrophobicContact CG2-CG1 4.14Å; I190-I193 HydrophobicContact CG2-CD1 4.11Å; I190-I213 HydrophobicContact CD1-CD1 4.28Å; I190-I230 HydrophobicContact CD1-CG2 3.72Å; I190-I230 HydrophobicContact CG1-CG2 4.14Å; I190-F231 PolarHBondContact N-O 3.06Å; I190-L232 HydrophobicContact CB-CD2 4.26Å; I190-L232 WeakPolarHBondContact O-CA 3.42Å; I190-A233 PolarHBondContact O-N 2.84Å
191P98.3Very high92.9Very high2 Ų236.6 Ų36.61%0.01320%0.203CC..  trans-79.5172172.733-33.8000111.7L79 V88 L101 I193 A233L79-P191 HydrophobicContact CD1-CB 3.73Å; L79-P191 HydrophobicContact CD1-CG 4.14Å; V88-P191 WeakPolarHBondContact O-CD 3.48Å; V88-P191 WeakPolarHBondContact O-CG 3.29Å; L101-P191 HydrophobicContact CD2-CB 3.59Å; L101-P191 HydrophobicContact CD2-CG 3.53Å; P191-I193 HydrophobicContact CG-CG1 4.08Å; P191-I193 PolarHBondContact O-N 2.72Å; P191-A233 WeakPolarHBondContact CA-O 3.46Å
192A96.1Very high92.8Very high7 Ų736.3 Ų36.36%0.05820%0.201CC..  trans-6676.2163.500000113.2S195 L202 N234 T239 M243A192-S195 WeakPolarHBondContact CB-OG 3.14Å; A192-S195 WeakPolarHBondContact O-CB 3.23Å; A192-S195 PolarHBondContact O-N 2.63Å; A192-S195 PolarHBondContact O-OG 3.01Å; A192-L202 HydrophobicContact CB-CD1 4.34Å; A192-N234 PolarHBondContact N-ND2 3.42Å; A192-N234 PolarHBondContact N-OD1 2.93Å; A192-T239 HydrophobicContact CB-CG2 3.32Å; A192-M243 VanDerWaalsContact CA-CE 3.46Å; A192-M243 HydrophobicContact CB-CE 3.51Å
193I94.2Very high92.7Very high0 Ų034 Ų340%020%0.195CC..THydrogen-bonded Turntrans-55.6137.2-179.6-60.7163.7000110.8V88 A90 A148 L169 I173 I176 I190 P191 S195 C205V88-I193 HydrophobicContact CG1-CD1 3.97Å; A90-I193 HydrophobicContact CB-CG1 4.42Å; A90-I193 HydrophobicContact CB-CG2 4.42Å; A148-I193 HydrophobicContact CB-CD1 4.22Å; L169-I193 HydrophobicContact CD1-CB 4.1Å; L169-I193 HydrophobicContact CD1-CG2 4.1Å; I173-I193 HydrophobicContact CD1-CD1 3.82Å; I176-I193 HydrophobicContact CD1-CD1 3.35Å; I190-I193 HydrophobicContact CG2-CD1 4.11Å; P191-I193 HydrophobicContact CG-CG1 4.08Å; P191-I193 PolarHBondContact O-N 2.72Å; I193-S195 PolarHBondContact O-N 2.97Å; I193-C205 PolarHBondContact O-SG 3.38Å
194S93.1Very high92.7Very high7 Ų734.3 Ų34.35%0.04920%0.199CC..THydrogen-bonded Turntrans68.9-9.2-175.1-60.70000117.9G150 P151 G196 F198 N199 Y200G150-S194 VanDerWaalsContact C-OG 3.25Å; G150-S194 VanDerWaalsContact CA-OG 3.25Å; G150-S194 WeakPolarHBondContact CA-OG 3.18Å; P151-S194 WeakPolarHBondContact CD-OG 3.32Å; P151-S194 VanDerWaalsContact O-CB 3.28Å; P151-S194 WeakPolarHBondContact O-CB 3.45Å; P151-S194 PolarHBondContact O-OG 3.12Å; S194-G196 VanDerWaalsContact C-N 3.27Å; S194-G196 PolarHBondContact O-N 2.89Å; S194-F198 CarbonylContact O-C 3.6Å; S194-F198 WeakPolarHBondContact O-CB 3.48Å; S194-N199 PolarHBondContact O-N 3.18Å; S194-Y200 VanDerWaalsContact O-CB 3.31Å; S194-Y200 WeakPolarHBondContact O-CB 3.34Å; S194-Y200 PolarHBondContact O-N 3.22Å
195S88.1Confident92.9Very high32 Ų3228.2 Ų28.222%0.22417%0.171CC..SBendtrans-74.7-11.6-175.666.70000115.7A192 I193 Y200A192-S195 WeakPolarHBondContact CB-OG 3.14Å; A192-S195 WeakPolarHBondContact O-CB 3.23Å; A192-S195 PolarHBondContact O-N 2.63Å; A192-S195 PolarHBondContact O-OG 3.01Å; I193-S195 PolarHBondContact O-N 2.97Å; S195-Y200 WeakPolarHBondContact CA-O 3.48Å
196G86.4Confident92.9Very high54 Ų5428.2 Ų28.256%0.55717%0.171SC*.SBendtrans-93.2-112.4177.900000112S194 F198 N199S194-G196 VanDerWaalsContact C-N 3.27Å; S194-G196 PolarHBondContact O-N 2.89Å; G196-F198 PolarHBondContact O-N 3.02Å; G196-F198 VanDerWaalsContact O-N 3.1Å; G196-N199 PolarHBondContact O-N 2.9Å; G196-N199 VanDerWaalsContact O-N 3.07Å
197L79.4Confident93Very high124 Ų12430.5 Ų30.565%0.64918%0.177SC*.THydrogen-bonded Turntrans-58-26-175.9-64.8175.5000114.2N199L197-N199 VanDerWaalsContact C-N 3.3Å; L197-N199 PolarHBondContact O-ND2 3.28Å
198F85.9Confident93Very high42 Ų4229.4 Ų29.418%0.18417%0.17CC..THydrogen-bonded Turntrans-89.29.6-178.8-76.45.5000113.9N92 G150 D152 L153 S194 G196 Y200N92-F198 HydrophobicContact CB-CZ 4.12Å; G150-F198 WeakPolarHBondContact O-CD2 3.1Å; G150-F198 WeakPolarHBondContact O-CE2 3.5Å; D152-F198 HydrophobicContact CB-CB 4.33Å; D152-F198 HydrophobicContact CB-CD1 4.02Å; D152-F198 HydrophobicContact CB-CD2 4.12Å; D152-F198 HydrophobicContact CB-CE1 4.34Å; D152-F198 HydrophobicContact CB-CE2 4.42Å; D152-F198 HydrophobicContact CB-CG 3.91Å; D152-F198 VanDerWaalsContact OD1-CA 3.3Å; D152-F198 WeakPolarHBondContact OD1-CA 3.36Å; L153-F198 WeakPolarHBondContact CB-O 3.25Å; L153-F198 PolarHBondContact N-O 2.86Å; S194-F198 CarbonylContact O-C 3.6Å; S194-F198 WeakPolarHBondContact O-CB 3.48Å; G196-F198 PolarHBondContact O-N 3.02Å; G196-F198 VanDerWaalsContact O-N 3.1Å; F198-Y200 PolarHBondContact O-N 2.6Å
199N84.7Confident93Very high62 Ų6229.4 Ų29.433%0.33217%0.17SC..  trans5321.5170-50.8-63.9000116.5L153 S194 G196 L197 P201L153-N199 WeakPolarHBondContact O-CB 3.37Å; L153-N199 PolarHBondContact O-ND2 3.09Å; S194-N199 PolarHBondContact O-N 3.18Å; G196-N199 PolarHBondContact O-N 2.9Å; G196-N199 VanDerWaalsContact O-N 3.07Å; L197-N199 VanDerWaalsContact C-N 3.3Å; L197-N199 PolarHBondContact O-ND2 3.28Å; N199-P201 VanDerWaalsContact O-CD 3.27Å; N199-P201 WeakPolarHBondContact O-CD 3.37Å
200Y92.7Very high93Very high4 Ų429.4 Ų29.42%0.01617%0.171CC..  trans-68.1121.2175.5-154.8-59.1000109.3P151 L153 I162 A165 K166 L169 S194 S195 F198 L202 E204 C205P151-Y200 HydrophobicContact CG-CD2 3.88Å; P151-Y200 HydrophobicContact CG-CE2 3.83Å; L153-Y200 HydrophobicContact CD1-CD1 4.46Å; L153-Y200 HydrophobicContact CD1-CD2 3.62Å; L153-Y200 HydrophobicContact CD1-CE2 4.13Å; L153-Y200 HydrophobicContact CD1-CG 3.81Å; I162-Y200 HydrophobicContact CG2-CE1 4.09Å; A165-Y200 HydrophobicContact CB-CD2 4.39Å; A165-Y200 HydrophobicContact CB-CE2 3.75Å; K166-Y200 VanDerWaalsContact CA-OH 3.29Å; K166-Y200 WeakPolarHBondContact CA-OH 3.16Å; K166-Y200 PolarHBondContact N-OH 3.47Å; L169-Y200 HydrophobicContact CB-CE2 4.16Å; L169-Y200 HydrophobicContact CD2-CD2 4.1Å; L169-Y200 HydrophobicContact CD2-CE1 4.31Å; L169-Y200 HydrophobicContact CD2-CE2 3.79Å; L169-Y200 HydrophobicContact CD2-CG 4.48Å; S194-Y200 VanDerWaalsContact O-CB 3.31Å; S194-Y200 WeakPolarHBondContact O-CB 3.34Å; S194-Y200 PolarHBondContact O-N 3.22Å; S195-Y200 WeakPolarHBondContact CA-O 3.48Å; F198-Y200 PolarHBondContact O-N 2.6Å; Y200-L202 PolarHBondContact O-N 3.38Å; Y200-L202 VanDerWaalsContact O-N 3.11Å; Y200-E204 HydrophobicContact CD1-CB 4.48Å; Y200-E204 HydrophobicContact CE1-CB 3.88Å; Y200-C205 HydrophobicContact CD1-CB 3.65Å; Y200-C205 HydrophobicContact CE1-CB 4.27Å; Y200-C205 HydrophobicContact CG-CB 4.21Å
201P91.2Very high92.9Very high31 Ų3130.9 Ų30.920%0.20118%0.181CC..  trans-54.3122.2-177.7-3241.2000111.8P157 I162 N199 E204 C205P157-P201 HydrophobicContact CG-CG 3.76Å; I162-P201 HydrophobicContact CD1-CG 3.71Å; I162-P201 HydrophobicContact CG1-CG 4.09Å; N199-P201 VanDerWaalsContact O-CD 3.27Å; N199-P201 WeakPolarHBondContact O-CD 3.37Å; P201-E204 HydrophobicContact CB-CB 4.5Å; P201-E204 WeakPolarHBondContact CB-OE2 3.42Å; P201-E204 PolarHBondContact O-N 2.89Å; P201-E204 VanDerWaalsContact O-N 3.11Å; P201-C205 WeakPolarHBondContact O-CB 3.35Å; P201-C205 PolarHBondContact O-N 3.02Å
202L90.4Very high92.9Very high40 Ų4031.4 Ų31.421%0.20919%0.185CC..Hα-helixtrans-55-43.8-168.4173.364.4000113.9A192 Y200 E204 C205 A206 P238 T239 E242A192-L202 HydrophobicContact CB-CD1 4.34Å; Y200-L202 PolarHBondContact O-N 3.38Å; Y200-L202 VanDerWaalsContact O-N 3.11Å; L202-E204 VanDerWaalsContact C-N 3.35Å; L202-E204 PolarHBondContact O-N 3.19Å; L202-C205 PolarHBondContact O-N 3.21Å; L202-A206 WeakPolarHBondContact O-CB 3.35Å; L202-A206 PolarHBondContact O-N 3.37Å; L202-P238 HydrophobicContact CD2-CB 4.47Å; L202-T239 HydrophobicContact CD1-CG2 3.74Å; L202-E242 HydrophobicContact CD1-CB 4.29Å; L202-E242 HydrophobicContact CD2-CB 4.2Å; L202-E242 HydrophobicContact CD2-CG 3.85Å; L202-E242 HydrophobicContact CG-CB 3.9Å; L202-E242 HydrophobicContact CG-CG 3.86Å
203P91.9Very high92.9Very high52 Ų5231.1 Ų31.134%0.33818%0.183SC..Hα-helixtrans-61.1-38.7177.3-25.336.3000114.3H207 E242 R245P203-H207 WeakPolarHBondContact O-CB 3.23Å; P203-H207 PolarHBondContact O-N 3.19Å; P203-E242 WeakPolarHBondContact CA-OE2 3.5Å; P203-E242 WeakPolarHBondContact CB-OE2 3.32Å; P203-R245 PolarHBondContact O-NH2 2.99Å
204E96.4Very high92.9Very high83 Ų8333.3 Ų33.339%0.38819%0.192SC..Hα-helixtrans-76.3-38.7178.7-69.479.5177.900111.5I162 Y200 P201 L202 H207 T208I162-E204 HydrophobicContact CG2-CB 4.2Å; I162-E204 HydrophobicContact CG2-CG 4.23Å; Y200-E204 HydrophobicContact CD1-CB 4.48Å; Y200-E204 HydrophobicContact CE1-CB 3.88Å; P201-E204 HydrophobicContact CB-CB 4.5Å; P201-E204 WeakPolarHBondContact CB-OE2 3.42Å; P201-E204 PolarHBondContact O-N 2.89Å; P201-E204 VanDerWaalsContact O-N 3.11Å; L202-E204 VanDerWaalsContact C-N 3.35Å; L202-E204 PolarHBondContact O-N 3.19Å; E204-H207 PolarHBondContact O-N 2.81Å; E204-T208 WeakPolarHBondContact O-CB 3.21Å; E204-T208 PolarHBondContact O-N 2.92Å; E204-T208 PolarHBondContact O-OG1 3.11Å
205C96.7Very high93Very high0 Ų036.4 Ų36.40%021%0.211CC..Hα-helixtrans-57.9-56.2173.1170.90000110.4L169 I193 Y200 P201 L202 H207 T208 I209L169-C205 HydrophobicContact CD2-CB 4.5Å; I193-C205 PolarHBondContact O-SG 3.38Å; Y200-C205 HydrophobicContact CD1-CB 3.65Å; Y200-C205 HydrophobicContact CE1-CB 4.27Å; Y200-C205 HydrophobicContact CG-CB 4.21Å; P201-C205 WeakPolarHBondContact O-CB 3.35Å; P201-C205 PolarHBondContact O-N 3.02Å; L202-C205 PolarHBondContact O-N 3.21Å; C205-H207 VanDerWaalsContact C-N 3.32Å; C205-H207 PolarHBondContact O-N 3.07Å; C205-T208 PolarHBondContact O-N 2.99Å; C205-T208 VanDerWaalsContact O-N 3.1Å; C205-I209 WeakPolarHBondContact O-CG1 3.34Å; C205-I209 PolarHBondContact O-N 2.89Å; C205-I209 VanDerWaalsContact SG-CD1 3.55Å
206A97.4Very high93.3Very high0 Ų036.7 Ų36.70%021%0.207CC..Hα-helixtrans-58.4-42.9179.200000112.1L202 T208 V210 E242 M243 A246L202-A206 WeakPolarHBondContact O-CB 3.35Å; L202-A206 PolarHBondContact O-N 3.37Å; A206-T208 PolarHBondContact O-N 3.5Å; A206-V210 VanDerWaalsContact O-CG2 3.3Å; A206-V210 WeakPolarHBondContact O-CG2 3.38Å; A206-V210 PolarHBondContact O-N 2.93Å; A206-V210 VanDerWaalsContact O-N 3.09Å; A206-E242 HydrophobicContact CB-CB 4.14Å; A206-M243 HydrophobicContact CB-CE 4.44Å; A206-M243 HydrophobicContact CB-CG 4.36Å; A206-M243 HydrophobicContact CB-SD 3.85Å; A206-A246 HydrophobicContact CB-CB 4.04Å
207H97.1Very high93.5Very high73 Ų7334.5 Ų34.534%0.33818%0.182SC..Hα-helixtrans-61.2-43.8175.9-176.272.3000112.3P203 E204 C205 S211P203-H207 WeakPolarHBondContact O-CB 3.23Å; P203-H207 PolarHBondContact O-N 3.19Å; E204-H207 PolarHBondContact O-N 2.81Å; C205-H207 VanDerWaalsContact C-N 3.32Å; C205-H207 PolarHBondContact O-N 3.07Å; H207-S211 WeakPolarHBondContact O-CB 3.3Å; H207-S211 PolarHBondContact O-N 3.3Å
208T97.9Very high94Very high4 Ų431.9 Ų31.93%0.02517%0.169CC..Hα-helixtrans-65.9-45.1-179.3-56.90000111.2K166 L169 E170 E204 C205 A206 S211 A212K166-T208 HydrophobicContact CG-CG2 3.99Å; L169-T208 HydrophobicContact CB-CG2 4.05Å; L169-T208 HydrophobicContact CD2-CG2 3.88Å; L169-T208 HydrophobicContact CG-CG2 3.92Å; E170-T208 HydrophobicContact CG-CG2 3.57Å; E204-T208 WeakPolarHBondContact O-CB 3.21Å; E204-T208 PolarHBondContact O-N 2.92Å; E204-T208 PolarHBondContact O-OG1 3.11Å; C205-T208 PolarHBondContact O-N 2.99Å; C205-T208 VanDerWaalsContact O-N 3.1Å; A206-T208 PolarHBondContact O-N 3.5Å; T208-S211 PolarHBondContact O-N 3.43Å; T208-A212 VanDerWaalsContact O-CB 3.27Å; T208-A212 WeakPolarHBondContact O-CB 3.5Å; T208-A212 PolarHBondContact O-N 3.44Å
209I98.5Very high93.9Very high0 Ų036 Ų360%019%0.193CC..Hα-helixtrans-60.3-52.4178.9-67.6172.6000111.1L169 I173 C205 S211 A212 I213 L232 M243L169-I209 HydrophobicContact CD1-CG1 4.36Å; L169-I209 HydrophobicContact CD2-CG1 4.33Å; L169-I209 HydrophobicContact CG-CG1 4.43Å; I173-I209 HydrophobicContact CD1-CB 4.34Å; I173-I209 HydrophobicContact CD1-CG1 3.94Å; I173-I209 HydrophobicContact CD1-CG2 3.89Å; I173-I209 HydrophobicContact CG1-CB 4.45Å; I173-I209 HydrophobicContact CG1-CG1 4.09Å; I173-I209 HydrophobicContact CG1-CG2 4.4Å; C205-I209 WeakPolarHBondContact O-CG1 3.34Å; C205-I209 PolarHBondContact O-N 2.89Å; C205-I209 VanDerWaalsContact SG-CD1 3.55Å; I209-S211 VanDerWaalsContact C-N 3.34Å; I209-S211 PolarHBondContact O-N 3.17Å; I209-A212 PolarHBondContact O-N 3.34Å; I209-I213 HydrophobicContact CG2-CD1 3.98Å; I209-I213 WeakPolarHBondContact O-CG1 3.5Å; I209-I213 PolarHBondContact O-N 3.19Å; I209-L232 HydrophobicContact CG2-CD2 4.01Å; I209-M243 HydrophobicContact CB-CE 4.41Å; I209-M243 HydrophobicContact CD1-CE 3.67Å; I209-M243 HydrophobicContact CG2-CE 4.31Å
210V97.8Very high93.8Very high1 Ų134.5 Ų34.51%0.00619%0.185CC..Hα-helixtrans-65.2-39.5-179.1177.40000111.3A206 K214 L232 M243 A246 I250 F251A206-V210 VanDerWaalsContact O-CG2 3.3Å; A206-V210 WeakPolarHBondContact O-CG2 3.38Å; A206-V210 PolarHBondContact O-N 2.93Å; A206-V210 VanDerWaalsContact O-N 3.09Å; V210-K214 WeakPolarHBondContact O-CB 3.45Å; V210-K214 PolarHBondContact O-N 3.27Å; V210-L232 HydrophobicContact CG2-CD1 3.7Å; V210-M243 HydrophobicContact CG2-SD 4.39Å; V210-A246 HydrophobicContact CB-CB 4.2Å; V210-A246 HydrophobicContact CG2-CB 3.8Å; V210-I250 HydrophobicContact CB-CD1 3.68Å; V210-I250 HydrophobicContact CG1-CB 4Å; V210-I250 HydrophobicContact CG1-CD1 3.51Å; V210-I250 HydrophobicContact CG1-CG1 4.35Å; V210-I250 HydrophobicContact CG1-CG2 4.09Å; V210-F251 HydrophobicContact CG1-CD2 4.3Å; V210-F251 HydrophobicContact CG1-CE2 3.6Å; V210-F251 HydrophobicContact CG1-CZ 3.89Å
211S96.9Very high93Very high31 Ų3137.1 Ų37.122%0.21720%0.204CC..Hα-helixtrans-64.9-41.9177-1720000111.6H207 T208 I209 K214 T215H207-S211 WeakPolarHBondContact O-CB 3.3Å; H207-S211 PolarHBondContact O-N 3.3Å; T208-S211 PolarHBondContact O-N 3.43Å; I209-S211 VanDerWaalsContact C-N 3.34Å; I209-S211 PolarHBondContact O-N 3.17Å; S211-K214 PolarHBondContact O-N 3.25Å; S211-T215 WeakPolarHBondContact O-CB 3.45Å; S211-T215 PolarHBondContact O-N 2.98Å; S211-T215 PolarHBondContact O-OG1 3.41Å
212A97.5Very high91.7Very high12 Ų1240.2 Ų40.210%0.09923%0.232CC..Hα-helixtrans-64.6-43.6178.300000111.8E170 I173 T208 I209 K214 T215 Y216E170-A212 HydrophobicContact CB-CB 4.47Å; E170-A212 HydrophobicContact CG-CB 4.34Å; I173-A212 HydrophobicContact CB-CB 3.86Å; I173-A212 HydrophobicContact CG1-CB 4.43Å; I173-A212 HydrophobicContact CG2-CB 3.68Å; T208-A212 VanDerWaalsContact O-CB 3.27Å; T208-A212 WeakPolarHBondContact O-CB 3.5Å; T208-A212 PolarHBondContact O-N 3.44Å; I209-A212 PolarHBondContact O-N 3.34Å; A212-K214 VanDerWaalsContact C-N 3.34Å; A212-K214 PolarHBondContact O-N 3.08Å; A212-T215 PolarHBondContact O-N 2.94Å; A212-Y216 WeakPolarHBondContact O-CB 3.37Å; A212-Y216 PolarHBondContact O-N 2.98Å
213I97Very high90.4Very high1 Ų147.3 Ų47.31%0.00526%0.264CS..Hα-helixtrans-58.7-47.2173.7-67.7163.6000110.5V72 I173 L177 I190 I209 Y216 Y217 I230 L232V72-I213 HydrophobicContact CG2-CG2 4.16Å; I173-I213 HydrophobicContact CG2-CG1 3.84Å; L177-I213 HydrophobicContact CD1-CG1 4.35Å; I190-I213 HydrophobicContact CD1-CD1 4.28Å; I209-I213 HydrophobicContact CG2-CD1 3.98Å; I209-I213 WeakPolarHBondContact O-CG1 3.5Å; I209-I213 PolarHBondContact O-N 3.19Å; I213-Y216 PolarHBondContact O-N 2.88Å; I213-Y217 HydrophobicContact CG2-CD2 4.11Å; I213-Y217 HydrophobicContact CG2-CE2 4.33Å; I213-Y217 WeakPolarHBondContact O-CD2 3.32Å; I213-Y217 PolarHBondContact O-N 3.27Å; I213-I230 HydrophobicContact CD1-CG2 4.18Å; I213-I230 HydrophobicContact CG2-CD1 3.89Å; I213-L232 HydrophobicContact CD1-CD2 3.72Å
214K94.6Very high89.4Confident47 Ų4748 Ų4820%0.20427%0.265CS..Hα-helixtrans-59.1-51.5178.4-179.8177.1176.4-58.80111.3M66 V210 S211 A212 Y216 Y217 D218 I250 F251M66-K214 HydrophobicContact CE-CB 4.31Å; M66-K214 HydrophobicContact CE-CG 4.1Å; V210-K214 WeakPolarHBondContact O-CB 3.45Å; V210-K214 PolarHBondContact O-N 3.27Å; S211-K214 PolarHBondContact O-N 3.25Å; A212-K214 VanDerWaalsContact C-N 3.34Å; A212-K214 PolarHBondContact O-N 3.08Å; K214-Y216 VanDerWaalsContact C-N 3.3Å; K214-Y216 PolarHBondContact O-N 3.46Å; K214-Y217 PolarHBondContact O-N 3.29Å; K214-D218 WeakPolarHBondContact CE-OD2 3.47Å; K214-D218 WeakPolarHBondContact CG-OD2 3.45Å; K214-D218 IonicContact NZ-OD2 3.22Å; K214-D218 PolarHBondContact NZ-OD2 2.93Å; K214-D218 VanDerWaalsContact O-CB 3.31Å; K214-D218 WeakPolarHBondContact O-CB 3.44Å; K214-D218 VanDerWaalsContact O-CG 3.26Å; K214-D218 PolarHBondContact O-N 3.02Å; K214-I250 HydrophobicContact CB-CG2 4.29Å; K214-I250 HydrophobicContact CD-CG2 3.39Å; K214-I250 HydrophobicContact CG-CG2 4.45Å; K214-F251 HydrophobicContact CB-CE1 3.91Å; K214-F251 HydrophobicContact CB-CZ 4.36Å; K214-F251 HydrophobicContact CD-CD1 4.32Å; K214-F251 HydrophobicContact CD-CE1 4.07Å; K214-F251 HydrophobicContact CG-CE1 4.05Å
215T94.6Very high88.5Confident72 Ų7246.7 Ų46.744%0.44226%0.258SS..Hα-helixtrans-61.2-38-179.6-62.30000112S211 A212 N219S211-T215 WeakPolarHBondContact O-CB 3.45Å; S211-T215 PolarHBondContact O-N 2.98Å; S211-T215 PolarHBondContact O-OG1 3.41Å; A212-T215 PolarHBondContact O-N 2.94Å; T215-N219 PolarHBondContact O-N 3.03Å; T215-N219 PolarHBondContact O-ND2 3.11Å
216Y94.1Very high88Confident37 Ų3751 Ų5115%0.14528%0.275CS..Hα-helixtrans-61.1-52.1178.1-172.9-91.1000111.3K174 L177 D178 A212 I213 K214 N219 L220K174-Y216 HydrophobicContact CG-CD2 3.96Å; K174-Y216 HydrophobicContact CG-CE2 3.95Å; L177-Y216 HydrophobicContact CB-CD1 3.91Å; L177-Y216 HydrophobicContact CB-CD2 4.16Å; L177-Y216 HydrophobicContact CB-CE1 3.65Å; L177-Y216 HydrophobicContact CB-CE2 3.93Å; L177-Y216 HydrophobicContact CB-CG 4.15Å; L177-Y216 HydrophobicContact CD1-CD1 3.59Å; L177-Y216 HydrophobicContact CD1-CD2 4.04Å; L177-Y216 HydrophobicContact CD1-CE1 4.24Å; L177-Y216 HydrophobicContact CD1-CG 3.47Å; L177-Y216 VanDerWaalsContact CD1-CG 3.47Å; L177-Y216 HydrophobicContact CG-CD1 4.35Å; L177-Y216 HydrophobicContact CG-CG 4.46Å; D178-Y216 WeakPolarHBondContact OD1-CE2 3.5Å; D178-Y216 PolarHBondContact OD1-OH 3.03Å; A212-Y216 WeakPolarHBondContact O-CB 3.37Å; A212-Y216 PolarHBondContact O-N 2.98Å; I213-Y216 PolarHBondContact O-N 2.88Å; K214-Y216 VanDerWaalsContact C-N 3.3Å; K214-Y216 PolarHBondContact O-N 3.46Å; Y216-N219 PolarHBondContact O-N 3.18Å; Y216-L220 HydrophobicContact CD1-CD1 3.59Å; Y216-L220 HydrophobicContact CE1-CD1 3.2Å; Y216-L220 HydrophobicContact CG-CD1 4.41Å; Y216-L220 PolarHBondContact O-N 2.84Å
217Y91.6Very high87.8Confident8 Ų851.1 Ų51.13%0.03128%0.276CS..Hα-helixtrans-81.4-20.2-176.3-71.1-69.1000115.1V70 L177 I213 K214 L220 P227 I230V70-Y217 HydrophobicContact CG1-CD2 4.5Å; V70-Y217 HydrophobicContact CG1-CE2 4.39Å; V70-Y217 HydrophobicContact CG2-CD1 3.74Å; V70-Y217 HydrophobicContact CG2-CE1 3.88Å; V70-Y217 HydrophobicContact CG2-CG 4.09Å; L177-Y217 HydrophobicContact CD1-CE2 3.95Å; L177-Y217 HydrophobicContact CD2-CE2 4.05Å; I213-Y217 HydrophobicContact CG2-CD2 4.11Å; I213-Y217 HydrophobicContact CG2-CE2 4.33Å; I213-Y217 WeakPolarHBondContact O-CD2 3.32Å; I213-Y217 PolarHBondContact O-N 3.27Å; K214-Y217 PolarHBondContact O-N 3.29Å; Y217-L220 HydrophobicContact CD1-CD1 4.34Å; Y217-L220 HydrophobicContact CD1-CD2 4.06Å; Y217-L220 HydrophobicContact CE1-CD2 4.17Å; Y217-P227 HydrophobicContact CE1-CG 4.45Å; Y217-P227 WeakPolarHBondContact OH-CD 3.35Å; Y217-P227 WeakPolarHBondContact OH-CG 3.25Å; Y217-I230 HydrophobicContact CD2-CD1 4.21Å; Y217-I230 HydrophobicContact CE2-CD1 3.35Å
218D88.3Confident87.6Confident69 Ų6955.3 Ų55.337%0.36929%0.293SS..Hα-helixtrans-69.9-24.9170.6-78.5-9.1000112K214K214-D218 WeakPolarHBondContact CE-OD2 3.47Å; K214-D218 WeakPolarHBondContact CG-OD2 3.45Å; K214-D218 IonicContact NZ-OD2 3.22Å; K214-D218 PolarHBondContact NZ-OD2 2.93Å; K214-D218 VanDerWaalsContact O-CB 3.31Å; K214-D218 WeakPolarHBondContact O-CB 3.44Å; K214-D218 VanDerWaalsContact O-CG 3.26Å; K214-D218 PolarHBondContact O-N 3.02Å
219N85.6Confident87.6Confident128 Ų12856.1 Ų56.168%0.68430%0.296SS*.SBendtrans-105.93.6-177.9-65-51.2000113.7T215 Y216T215-N219 PolarHBondContact O-N 3.03Å; T215-N219 PolarHBondContact O-ND2 3.11Å; Y216-N219 PolarHBondContact O-N 3.18Å
220L82.1Confident87.6Confident32 Ų3256.1 Ų56.117%0.16830%0.296CS..  trans-73143.9-178.1-137.387.6000111.5Y216 Y217 D224 R226Y216-L220 HydrophobicContact CD1-CD1 3.59Å; Y216-L220 HydrophobicContact CE1-CD1 3.2Å; Y216-L220 HydrophobicContact CG-CD1 4.41Å; Y216-L220 PolarHBondContact O-N 2.84Å; Y217-L220 HydrophobicContact CD1-CD1 4.34Å; Y217-L220 HydrophobicContact CD1-CD2 4.06Å; Y217-L220 HydrophobicContact CE1-CD2 4.17Å; L220-D224 HydrophobicContact CD2-CB 3.59Å; L220-D224 HydrophobicContact CG-CB 3.94Å; L220-R226 HydrophobicContact CD2-CG 3.92Å
221S74.6Confident87.6Confident58 Ų5856.8 Ų56.841%0.40630%0.299SS..  trans-76.2169.8176.785.90000111.4Q223 D224 R226S221-Q223 PolarHBondContact O-N 2.78Å; S221-Q223 PolarHBondContact OG-N 2.8Å; S221-D224 VanDerWaalsContact CB-OD2 3.29Å; S221-D224 WeakPolarHBondContact CB-OD2 3.33Å; S221-D224 PolarHBondContact N-OD2 2.85Å; S221-D224 PolarHBondContact OG-OD1 3.25Å; S221-D224 PolarHBondContact OG-OD2 2.89Å; S221-R226 PolarHBondContact O-NH2 3.33Å
222A64.6Low87.7Confident96 Ų9655.3 Ų55.379%0.79329%0.289SS*.SBendtrans-73.2-11.7179.300000114
223Q63.3Low87.6Confident190 Ų19054.8 Ų54.889%0.88828%0.284SS*.SBendtrans-102.5-10.5-173.8-65.3-1773.800114.1S221S221-Q223 PolarHBondContact O-N 2.78Å; S221-Q223 PolarHBondContact OG-N 2.8Å
224D70.9Confident87.5Confident67 Ų6755.5 Ų55.536%0.35829%0.288SS..SBendtrans-81.2149.5-177.1-54-43.2000111.8L220 S221L220-D224 HydrophobicContact CD2-CB 3.59Å; L220-D224 HydrophobicContact CG-CB 3.94Å; S221-D224 VanDerWaalsContact CB-OD2 3.29Å; S221-D224 WeakPolarHBondContact CB-OD2 3.33Å; S221-D224 PolarHBondContact N-OD2 2.85Å; S221-D224 PolarHBondContact OG-OD1 3.25Å; S221-D224 PolarHBondContact OG-OD2 2.89Å
225H78.1Confident87.1Confident54 Ų5459 Ų5925%0.2531%0.305CS..  trans-69.3141.3178.8166.283.6000110.5D181 H184 L185D181-H225 WeakPolarHBondContact OD1-CA 3.44Å; D181-H225 VanDerWaalsContact OD1-CB 3.23Å; D181-H225 WeakPolarHBondContact OD1-CB 3.22Å; D181-H225 PolarHBondContact OD1-N 2.91Å; H184-H225 AromaticContact ND1-CG 3.81Å; L185-H225 PolarHBondContact O-NE2 3.46Å
226R85.6Confident86.4Confident91 Ų9157.8 Ų57.834%0.34330%0.296SS..  trans-123.3123.2-178.3-63.2179.9-171.2170.93.5109.2S68 V70 L220 S221S68-R226 WeakPolarHBondContact O-CD 3.43Å; S68-R226 PolarHBondContact O-NH1 2.86Å; V70-R226 HydrophobicContact CG2-CB 4.02Å; L220-R226 HydrophobicContact CD2-CG 3.92Å; S221-R226 PolarHBondContact O-NH2 3.33Å
227P93.4Very high86Confident3 Ų358.3 Ų58.32%0.01930%0.301CS..  trans-64148.6173.129.3-34.2000109.4V70 V180 A186 Y217 E229 I230V70-P227 HydrophobicContact CG1-CG 4.22Å; V180-P227 HydrophobicContact CG1-CB 3.94Å; V180-P227 HydrophobicContact CG1-CG 3.97Å; A186-P227 CarbonylContact O-C 3.52Å; A186-P227 WeakPolarHBondContact O-CB 3.33Å; Y217-P227 HydrophobicContact CE1-CG 4.45Å; Y217-P227 WeakPolarHBondContact OH-CD 3.35Å; Y217-P227 WeakPolarHBondContact OH-CG 3.25Å; P227-E229 VanDerWaalsContact C-N 3.33Å; P227-I230 HydrophobicContact CG-CD1 4.28Å; P227-I230 HydrophobicContact CG-CG1 4.08Å
228K93.4Very high85.3Confident160 Ų16060.6 Ų60.670%0.69632%0.317SS*.SBendtrans-66.4-39.4173.9-65.7-178.7179.4176.80110.8K71 A186K71-K228 WeakPolarHBondContact CB-O 3.03Å; K71-K228 PolarHBondContact N-O 3.05Å; A186-K228 HydrophobicContact CB-CD 4.33Å; A186-K228 HydrophobicContact CB-CG 4.35Å; A186-K228 PolarHBondContact O-N 3.22Å
229E97.2Very high85.3Confident21 Ų2157.9 Ų57.910%0.09830%0.303CS..EExtended strand (participates in β ladder)trans-151.3138.7-176.8-170.3164.4-159.600113.5K71 S73 A186 T187 V188 P227 F231K71-E229 HydrophobicContact CB-CB 4.36Å; K71-E229 HydrophobicContact CB-CG 4.22Å; K71-E229 WeakPolarHBondContact CE-OE1 3.33Å; K71-E229 WeakPolarHBondContact CE-OE2 3.25Å; K71-E229 HydrophobicContact CG-CG 4.34Å; K71-E229 IonicContact NZ-OE1 2.72Å; K71-E229 PolarHBondContact NZ-OE1 3.37Å; K71-E229 IonicContact NZ-OE2 2.63Å; K71-E229 PolarHBondContact NZ-OE2 2.92Å; K71-E229 CarbonylContact O-C 3.58Å; K71-E229 VanDerWaalsContact O-CA 3.24Å; K71-E229 WeakPolarHBondContact O-CA 3.28Å; S73-E229 WeakPolarHBondContact CB-OE1 3.37Å; S73-E229 PolarHBondContact OG-OE1 3.45Å; A186-E229 PolarHBondContact O-N 3.48Å; T187-E229 VanDerWaalsContact CA-O 3.31Å; T187-E229 WeakPolarHBondContact CA-O 3.35Å; T187-E229 HydrophobicContact CG2-CB 4.24Å; V188-E229 PolarHBondContact N-O 3.32Å; P227-E229 VanDerWaalsContact C-N 3.33Å; E229-F231 HydrophobicContact CB-CE1 4.19Å; E229-F231 HydrophobicContact CB-CZ 4.3Å; E229-F231 HydrophobicContact CG-CD1 3.75Å; E229-F231 HydrophobicContact CG-CE1 3.49Å; E229-F231 VanDerWaalsContact CG-CE1 3.49Å; E229-F231 HydrophobicContact CG-CZ 4.09Å; E229-F231 WeakPolarHBondContact OE2-CE1 3.26Å
230I98.1Very high85.6Confident0 Ų051.9 Ų51.90%027%0.271CS..EExtended strand (participates in β ladder)trans-110.4119.9170-61.1173000107.9V70 K71 V72 S73 L177 V188 I190 I213 Y217 P227V70-I230 HydrophobicContact CG1-CD1 3.87Å; V70-I230 HydrophobicContact CG1-CG1 4.08Å; K71-I230 PolarHBondContact O-N 3.06Å; V72-I230 WeakPolarHBondContact CA-O 3.33Å; S73-I230 PolarHBondContact N-O 3.21Å; L177-I230 HydrophobicContact CD2-CD1 3.94Å; V188-I230 HydrophobicContact CG1-CB 4.39Å; V188-I230 HydrophobicContact CG1-CG1 3.93Å; V188-I230 HydrophobicContact CG1-CG2 4.21Å; I190-I230 HydrophobicContact CD1-CG2 3.72Å; I190-I230 HydrophobicContact CG1-CG2 4.14Å; I213-I230 HydrophobicContact CD1-CG2 4.18Å; I213-I230 HydrophobicContact CG2-CD1 3.89Å; Y217-I230 HydrophobicContact CD2-CD1 4.21Å; Y217-I230 HydrophobicContact CE2-CD1 3.35Å; P227-I230 HydrophobicContact CG-CD1 4.28Å; P227-I230 HydrophobicContact CG-CG1 4.08Å
231F98.2Very high85.8Confident15 Ų1555.9 Ų55.97%0.06629%0.289CS..EExtended strand (participates in β ladder)trans-96117.4178.2-47.3-71.2000109.6S73 W75 F82 A84 T187 V188 A189 I190 E229 A233S73-F231 CarbonylContact O-C 3.59Å; S73-F231 WeakPolarHBondContact O-CA 3.32Å; S73-F231 WeakPolarHBondContact OG-CD1 3.47Å; W75-F231 AromaticContact CD1-CD1 3.85Å; W75-F231 HydrophobicContact CZ2-CE1 4.46Å; W75-F231 AromaticContact NE1-CD1 3.4Å; F82-F231 HydrophobicContact CD1-CD2 4.49Å; F82-F231 HydrophobicContact CE1-CB 3.68Å; F82-F231 HydrophobicContact CE1-CD1 4.19Å; F82-F231 AromaticContact CE1-CD2 3.46Å; F82-F231 HydrophobicContact CE1-CD2 3.46Å; F82-F231 VanDerWaalsContact CE1-CD2 3.46Å; F82-F231 AromaticContact CE1-CE2 3.96Å; F82-F231 HydrophobicContact CE1-CE2 3.96Å; F82-F231 AromaticContact CE1-CG 3.54Å; F82-F231 HydrophobicContact CE1-CG 3.54Å; F82-F231 HydrophobicContact CZ-CB 3.94Å; F82-F231 HydrophobicContact CZ-CD1 4.01Å; F82-F231 HydrophobicContact CZ-CD2 4.11Å; F82-F231 HydrophobicContact CZ-CE1 4.45Å; F82-F231 HydrophobicContact CZ-CE2 4.49Å; F82-F231 AromaticContact CZ-CG 3.8Å; F82-F231 HydrophobicContact CZ-CG 3.8Å; A84-F231 HydrophobicContact CB-CD2 3.98Å; A84-F231 HydrophobicContact CB-CE2 3.84Å; T187-F231 HydrophobicContact CG2-CE2 3.94Å; T187-F231 HydrophobicContact CG2-CZ 4.01Å; V188-F231 WeakPolarHBondContact O-CD2 3.48Å; V188-F231 PolarHBondContact O-N 3.48Å; A189-F231 CarbonylContact C-O 3.59Å; A189-F231 WeakPolarHBondContact CA-O 3.42Å; A189-F231 HydrophobicContact CB-CB 4.12Å; A189-F231 HydrophobicContact CB-CD2 4.28Å; I190-F231 PolarHBondContact N-O 3.06Å; E229-F231 HydrophobicContact CB-CE1 4.19Å; E229-F231 HydrophobicContact CB-CZ 4.3Å; E229-F231 HydrophobicContact CG-CD1 3.75Å; E229-F231 HydrophobicContact CG-CE1 3.49Å; E229-F231 VanDerWaalsContact CG-CE1 3.49Å; E229-F231 HydrophobicContact CG-CZ 4.09Å; E229-F231 WeakPolarHBondContact OE2-CE1 3.26Å; F231-A233 PolarHBondContact O-N 3.49Å
232L98.3Very high86.6Confident1 Ų155.3 Ų55.31%0.00528%0.28CS..EExtended strand (participates in β ladder)trans-87.198.9167.3-60.9177.5000107.8V72 S73 V74 W75 I190 I209 V210 I213 M243 C247V72-L232 HydrophobicContact CG1-CD1 3.94Å; V72-L232 HydrophobicContact CG1-CG 4.21Å; S73-L232 PolarHBondContact O-N 3.38Å; V74-L232 CarbonylContact C-O 3.45Å; V74-L232 WeakPolarHBondContact CA-O 3.29Å; V74-L232 HydrophobicContact CG2-CB 4.26Å; V74-L232 HydrophobicContact CG2-CD1 4.24Å; W75-L232 PolarHBondContact N-O 3.38Å; I190-L232 HydrophobicContact CB-CD2 4.26Å; I190-L232 WeakPolarHBondContact O-CA 3.42Å; I209-L232 HydrophobicContact CG2-CD2 4.01Å; V210-L232 HydrophobicContact CG2-CD1 3.7Å; I213-L232 HydrophobicContact CD1-CD2 3.72Å; L232-M243 HydrophobicContact CB-SD 4.42Å; L232-M243 HydrophobicContact CD1-SD 4.16Å; L232-C247 VanDerWaalsContact CD1-SG 3.55Å
233A95.6Very high88.1Confident0 Ų050.7 Ų50.70%024%0.242CC..EExtended strand (participates in β ladder)trans-122.4124.1-163.700000112.9W75 L79 A189 I190 P191 F231W75-A233 HydrophobicContact CB-CB 4.25Å; W75-A233 WeakPolarHBondContact O-CA 3.37Å; L79-A233 HydrophobicContact CD2-CB 4.05Å; L79-A233 HydrophobicContact CG-CB 4.36Å; A189-A233 HydrophobicContact CB-CB 4.47Å; I190-A233 PolarHBondContact O-N 2.84Å; P191-A233 WeakPolarHBondContact CA-O 3.46Å; F231-A233 PolarHBondContact O-N 3.49Å
234N95.1Very high89.6Confident16 Ų1644.8 Ų44.89%0.08621%0.214CC..EExtended strand (participates in β ladder)trans-142156.5177.4-78.393.3000111.4W75 K76 A77 A192 T239 V240W75-N234 PolarHBondContact O-N 2.71Å; W75-N234 VanDerWaalsContact O-N 3.12Å; K76-N234 CarbonylContact C-O 3.54Å; K76-N234 VanDerWaalsContact CA-O 3.31Å; K76-N234 WeakPolarHBondContact CA-O 3.33Å; A77-N234 PolarHBondContact N-O 3.09Å; A77-N234 CarbonylContact O-C 3.59Å; A77-N234 VanDerWaalsContact O-O 3.12Å; A192-N234 PolarHBondContact N-ND2 3.42Å; A192-N234 PolarHBondContact N-OD1 2.93Å; N234-T239 HydrophobicContact CB-CG2 3.66Å; N234-T239 WeakPolarHBondContact ND2-CG2 3.29Å; N234-T239 WeakPolarHBondContact OD1-CG2 3.13Å; N234-V240 HydrophobicContact CB-CG2 3.9Å; N234-V240 WeakPolarHBondContact O-CG2 3.42Å
235H86.4Confident90.8Very high122 Ų12244.9 Ų44.957%0.56521%0.209SC*.SBendtrans-86.5-26.6-174.175.7-78.5000113.2I56 A77I56-H235 HydrophobicContact CD1-CB 3.46Å; I56-H235 VanDerWaalsContact CD1-CB 3.46Å; I56-H235 WeakPolarHBondContact CD1-O 3.36Å; A77-H235 WeakPolarHBondContact O-CA 3.37Å; A77-H235 PolarHBondContact O-N 3.44Å
236D81.1Confident91.6Very high45 Ų4542.3 Ų42.324%0.24120%0.197CC..SBendtrans-100.8140.8-176.967.8102.9000112.2P238 T239 V240D236-P238 VanDerWaalsContact C-CD 3.49Å; D236-P238 WeakPolarHBondContact OD1-CD 3.33Å; D236-T239 VanDerWaalsContact CG-OG1 3.24Å; D236-T239 PolarHBondContact O-N 2.97Å; D236-T239 VanDerWaalsContact OD1-CB 3.24Å; D236-T239 WeakPolarHBondContact OD1-CB 3.38Å; D236-T239 PolarHBondContact OD1-N 3.32Å; D236-T239 PolarHBondContact OD1-OG1 3.15Å; D236-T239 WeakPolarHBondContact OD2-CB 3.37Å; D236-T239 PolarHBondContact OD2-OG1 3.49Å; D236-T239 VanDerWaalsContact OD2-OG1 3.08Å; D236-V240 VanDerWaalsContact O-CG2 3.28Å; D236-V240 WeakPolarHBondContact O-CG2 3.27Å; D236-V240 PolarHBondContact O-N 2.91Å
237D84.5Confident92Very high49 Ų4938 Ų3826%0.26218%0.181SC..Hα-helixtrans-59-41.1179.1-68.5-72.5000114.4R61 K76 T239 V240 Q241R61-D237 IonicContact NH2-OD1 3.39Å; K76-D237 WeakPolarHBondContact CD-OD1 3.47Å; K76-D237 WeakPolarHBondContact CE-OD1 3.44Å; K76-D237 WeakPolarHBondContact CE-OD2 3.46Å; K76-D237 IonicContact NZ-OD1 3.15Å; K76-D237 PolarHBondContact NZ-OD1 3.02Å; K76-D237 IonicContact NZ-OD2 3.61Å; K76-D237 PolarHBondContact NZ-OD2 3.41Å; D237-T239 VanDerWaalsContact C-N 3.33Å; D237-T239 PolarHBondContact O-N 3.31Å; D237-V240 PolarHBondContact O-N 3.15Å; D237-Q241 WeakPolarHBondContact O-CB 3.37Å; D237-Q241 VanDerWaalsContact O-CG 3.26Å; D237-Q241 WeakPolarHBondContact O-CG 3.44Å; D237-Q241 PolarHBondContact O-N 2.9Å
238P78Confident91.9Very high56 Ų5640.2 Ų40.236%0.36420%0.197SC..Hα-helixtrans-55.9-45.3-179.8-27.135.8000113.2L202 D236 Q241 E242L202-P238 HydrophobicContact CD2-CB 4.47Å; D236-P238 VanDerWaalsContact C-CD 3.49Å; D236-P238 WeakPolarHBondContact OD1-CD 3.33Å; P238-Q241 PolarHBondContact O-N 3.42Å; P238-E242 PolarHBondContact O-N 3.39Å
239T87.3Confident91.8Very high11 Ų1140.8 Ų40.87%0.06720%0.195CC..Hα-helixtrans-67.1-42.5179-57.60000112A192 L202 N234 D236 D237 Q241 E242 M243A192-T239 HydrophobicContact CB-CG2 3.32Å; L202-T239 HydrophobicContact CD1-CG2 3.74Å; N234-T239 HydrophobicContact CB-CG2 3.66Å; N234-T239 WeakPolarHBondContact ND2-CG2 3.29Å; N234-T239 WeakPolarHBondContact OD1-CG2 3.13Å; D236-T239 VanDerWaalsContact CG-OG1 3.24Å; D236-T239 PolarHBondContact O-N 2.97Å; D236-T239 VanDerWaalsContact OD1-CB 3.24Å; D236-T239 WeakPolarHBondContact OD1-CB 3.38Å; D236-T239 PolarHBondContact OD1-N 3.32Å; D236-T239 PolarHBondContact OD1-OG1 3.15Å; D236-T239 WeakPolarHBondContact OD2-CB 3.37Å; D236-T239 PolarHBondContact OD2-OG1 3.49Å; D236-T239 VanDerWaalsContact OD2-OG1 3.08Å; D237-T239 VanDerWaalsContact C-N 3.33Å; D237-T239 PolarHBondContact O-N 3.31Å; T239-Q241 VanDerWaalsContact C-N 3.35Å; T239-Q241 PolarHBondContact O-N 3.17Å; T239-E242 PolarHBondContact O-N 3.1Å; T239-M243 WeakPolarHBondContact O-CG 3.3Å; T239-M243 PolarHBondContact O-N 3.32Å
240V90.9Very high91.6Very high2 Ų240.7 Ų40.71%0.01220%0.195CC..Hα-helixtrans-62-42.1176.6174.70000111.3R61 V74 K76 N234 D236 D237 M243 E244R61-V240 HydrophobicContact CB-CG1 4.3Å; R61-V240 HydrophobicContact CG-CG1 3.65Å; V74-V240 HydrophobicContact CG1-CG1 3.87Å; K76-V240 HydrophobicContact CB-CG1 4.22Å; K76-V240 HydrophobicContact CB-CG2 4.01Å; K76-V240 HydrophobicContact CG-CG2 4.09Å; N234-V240 HydrophobicContact CB-CG2 3.9Å; N234-V240 WeakPolarHBondContact O-CG2 3.42Å; D236-V240 VanDerWaalsContact O-CG2 3.28Å; D236-V240 WeakPolarHBondContact O-CG2 3.27Å; D236-V240 PolarHBondContact O-N 2.91Å; D237-V240 PolarHBondContact O-N 3.15Å; V240-M243 PolarHBondContact O-N 3.19Å; V240-E244 WeakPolarHBondContact O-CB 2.88Å; V240-E244 PolarHBondContact O-N 3.28Å
241Q86.8Confident91.1Very high117 Ų11740.8 Ų40.855%0.54720%0.195SC..Hα-helixtrans-64.3-39.9176.7-75.5174.8-200112.2D237 P238 T239 E244 R245D237-Q241 WeakPolarHBondContact O-CB 3.37Å; D237-Q241 VanDerWaalsContact O-CG 3.26Å; D237-Q241 WeakPolarHBondContact O-CG 3.44Å; D237-Q241 PolarHBondContact O-N 2.9Å; P238-Q241 PolarHBondContact O-N 3.42Å; T239-Q241 VanDerWaalsContact C-N 3.35Å; T239-Q241 PolarHBondContact O-N 3.17Å; Q241-E244 PolarHBondContact O-N 3.07Å; Q241-R245 VanDerWaalsContact O-CB 3.32Å; Q241-R245 WeakPolarHBondContact O-CB 3.5Å; Q241-R245 PolarHBondContact O-N 2.82Å
242E92.7Very high89.7Confident45 Ų4541.1 Ų41.121%0.2120%0.203CC..Hα-helixtrans-69.9-35.6177.3-74.7-61.3135.300112.3L202 P203 A206 P238 T239 R245 A246L202-E242 HydrophobicContact CD1-CB 4.29Å; L202-E242 HydrophobicContact CD2-CB 4.2Å; L202-E242 HydrophobicContact CD2-CG 3.85Å; L202-E242 HydrophobicContact CG-CB 3.9Å; L202-E242 HydrophobicContact CG-CG 3.86Å; P203-E242 WeakPolarHBondContact CA-OE2 3.5Å; P203-E242 WeakPolarHBondContact CB-OE2 3.32Å; A206-E242 HydrophobicContact CB-CB 4.14Å; P238-E242 PolarHBondContact O-N 3.39Å; T239-E242 PolarHBondContact O-N 3.1Å; E242-R245 PolarHBondContact O-N 2.89Å; E242-R245 IonicContact OE1-NE 2.89Å; E242-R245 IonicContact OE2-CZ 3.62Å; E242-R245 IonicContact OE2-NE 2.82Å; E242-R245 PolarHBondContact OE2-NE 3.03Å; E242-R245 IonicContact OE2-NH2 2.64Å; E242-R245 PolarHBondContact OE2-NH2 3.03Å; E242-A246 WeakPolarHBondContact O-CB 3.44Å; E242-A246 PolarHBondContact O-N 2.71Å
243M96Very high87.7Confident0 Ų044.8 Ų44.80%023%0.228CC..Hα-helixtrans-63.3-46.6169.7-72.7-68-172.600111.8V74 A192 A206 I209 V210 L232 T239 V240 R245 A246 C247V74-M243 HydrophobicContact CG1-CB 3.81Å; V74-M243 HydrophobicContact CG2-CB 4.28Å; A192-M243 VanDerWaalsContact CA-CE 3.46Å; A192-M243 HydrophobicContact CB-CE 3.51Å; A206-M243 HydrophobicContact CB-CE 4.44Å; A206-M243 HydrophobicContact CB-CG 4.36Å; A206-M243 HydrophobicContact CB-SD 3.85Å; I209-M243 HydrophobicContact CB-CE 4.41Å; I209-M243 HydrophobicContact CD1-CE 3.67Å; I209-M243 HydrophobicContact CG2-CE 4.31Å; V210-M243 HydrophobicContact CG2-SD 4.39Å; L232-M243 HydrophobicContact CB-SD 4.42Å; L232-M243 HydrophobicContact CD1-SD 4.16Å; T239-M243 WeakPolarHBondContact O-CG 3.3Å; T239-M243 PolarHBondContact O-N 3.32Å; V240-M243 PolarHBondContact O-N 3.19Å; M243-R245 VanDerWaalsContact C-N 3.34Å; M243-R245 PolarHBondContact O-N 2.61Å; M243-A246 PolarHBondContact O-N 3.22Å; M243-C247 WeakPolarHBondContact O-CB 3.48Å; M243-C247 PolarHBondContact O-N 2.73Å; M243-C247 PolarHBondContact O-SG 2.96Å; M243-C247 VanDerWaalsContact O-SG 3.41Å
244E94.3Very high85.7Confident66 Ų6646.7 Ų46.731%0.30824%0.237SC..Hα-helixtrans-58.9-43.9174.6177.3178.9-178.900111.7Y62 V240 Q241 C247 S248Y62-E244 HydrophobicContact CD2-CG 4.36Å; V240-E244 WeakPolarHBondContact O-CB 2.88Å; V240-E244 PolarHBondContact O-N 3.28Å; Q241-E244 PolarHBondContact O-N 3.07Å; E244-C247 PolarHBondContact O-N 3.07Å; E244-S248 VanDerWaalsContact O-CB 3.27Å; E244-S248 WeakPolarHBondContact O-CB 3.24Å; E244-S248 PolarHBondContact O-N 3.19Å; E244-S248 PolarHBondContact O-OG 2.63Å
245R95.6Very high83.2Confident68 Ų6852.3 Ų52.326%0.25726%0.263SS..Hα-helixtrans-62.1-44.4175.9-172.6-16862.567-2.7111.2P203 Q241 E242 M243 R249P203-R245 PolarHBondContact O-NH2 2.99Å; Q241-R245 VanDerWaalsContact O-CB 3.32Å; Q241-R245 WeakPolarHBondContact O-CB 3.5Å; Q241-R245 PolarHBondContact O-N 2.82Å; E242-R245 PolarHBondContact O-N 2.89Å; E242-R245 IonicContact OE1-NE 2.89Å; E242-R245 IonicContact OE2-CZ 3.62Å; E242-R245 IonicContact OE2-NE 2.82Å; E242-R245 PolarHBondContact OE2-NE 3.03Å; E242-R245 IonicContact OE2-NH2 2.64Å; E242-R245 PolarHBondContact OE2-NH2 3.03Å; M243-R245 VanDerWaalsContact C-N 3.34Å; M243-R245 PolarHBondContact O-N 2.61Å; R245-R249 VanDerWaalsContact NH1-NH1 3.14Å; R245-R249 WeakPolarHBondContact O-CB 3.46Å; R245-R249 VanDerWaalsContact O-CG 3.29Å; R245-R249 WeakPolarHBondContact O-CG 3.35Å; R245-R249 PolarHBondContact O-N 2.95Å
246A94.9Very high80.9Confident0 Ų056 Ų560%028%0.277CS..Hα-helixtrans-63.5-48.6178.400000111.2A206 V210 E242 M243 R249 I250A206-A246 HydrophobicContact CB-CB 4.04Å; V210-A246 HydrophobicContact CB-CB 4.2Å; V210-A246 HydrophobicContact CG2-CB 3.8Å; E242-A246 WeakPolarHBondContact O-CB 3.44Å; E242-A246 PolarHBondContact O-N 2.71Å; M243-A246 PolarHBondContact O-N 3.22Å; A246-R249 PolarHBondContact O-N 3.41Å; A246-I250 WeakPolarHBondContact O-CB 3.37Å; A246-I250 WeakPolarHBondContact O-CG1 3.37Å; A246-I250 PolarHBondContact O-N 2.62Å
247C94.6Very high78.6Confident0 Ų060.9 Ų60.90%030%0.299CS..Hα-helixtrans-57.5-49.6174.3-72.50000112.2Y62 V74 L232 M243 E244 R249 I250 F251Y62-C247 HydrophobicContact CD1-CB 3.65Å; Y62-C247 HydrophobicContact CE1-CB 3.43Å; Y62-C247 VanDerWaalsContact CE1-CB 3.43Å; Y62-C247 HydrophobicContact CG-CB 4.31Å; V74-C247 HydrophobicContact CG2-CB 4.4Å; L232-C247 VanDerWaalsContact CD1-SG 3.55Å; M243-C247 WeakPolarHBondContact O-CB 3.48Å; M243-C247 PolarHBondContact O-N 2.73Å; M243-C247 PolarHBondContact O-SG 2.96Å; M243-C247 VanDerWaalsContact O-SG 3.41Å; E244-C247 PolarHBondContact O-N 3.07Å; C247-R249 VanDerWaalsContact C-N 3.29Å; C247-R249 PolarHBondContact O-N 2.97Å; C247-I250 PolarHBondContact O-N 3.29Å; C247-F251 HydrophobicContact CB-CD2 3.94Å; C247-F251 HydrophobicContact CB-CE2 4.29Å; C247-F251 VanDerWaalsContact O-CB 3.31Å; C247-F251 WeakPolarHBondContact O-CB 3.25Å; C247-F251 WeakPolarHBondContact O-CD2 3.29Å; C247-F251 PolarHBondContact O-N 3.26Å
248S91.3Very high76.1Confident50 Ų5063.2 Ų63.235%0.3532%0.319SS..Hα-helixtrans-59.8-38179.5-63.80000112.6Y62 E244 G252Y62-S248 WeakPolarHBondContact CE2-OG 3.3Å; E244-S248 VanDerWaalsContact O-CB 3.27Å; E244-S248 WeakPolarHBondContact O-CB 3.24Å; E244-S248 PolarHBondContact O-N 3.19Å; E244-S248 PolarHBondContact O-OG 2.63Å; S248-G252 WeakPolarHBondContact O-CA 3.36Å; S248-G252 PolarHBondContact O-N 2.85Å
249R91.8Very high73.6Confident172 Ų17270.8 Ų70.865%0.64934%0.342SS*.Hα-helixtrans-75.1-39.7178.2-72.1178.174.4175.83.3113.1R245 A246 C247R245-R249 VanDerWaalsContact NH1-NH1 3.14Å; R245-R249 WeakPolarHBondContact O-CB 3.46Å; R245-R249 VanDerWaalsContact O-CG 3.29Å; R245-R249 WeakPolarHBondContact O-CG 3.35Å; R245-R249 PolarHBondContact O-N 2.95Å; A246-R249 PolarHBondContact O-N 3.41Å; C247-R249 VanDerWaalsContact C-N 3.29Å; C247-R249 PolarHBondContact O-N 2.97Å
250I92.6Very high70.9Confident20 Ų2075 Ų7510%0.10337%0.372CS..Hα-helixtrans-82.3-39.7-173.9-70.5165.9000111.5V210 K214 A246 C247 S253V210-I250 HydrophobicContact CB-CD1 3.68Å; V210-I250 HydrophobicContact CG1-CB 4Å; V210-I250 HydrophobicContact CG1-CD1 3.51Å; V210-I250 HydrophobicContact CG1-CG1 4.35Å; V210-I250 HydrophobicContact CG1-CG2 4.09Å; K214-I250 HydrophobicContact CB-CG2 4.29Å; K214-I250 HydrophobicContact CD-CG2 3.39Å; K214-I250 HydrophobicContact CG-CG2 4.45Å; A246-I250 WeakPolarHBondContact O-CB 3.37Å; A246-I250 WeakPolarHBondContact O-CG1 3.37Å; A246-I250 PolarHBondContact O-N 2.62Å; C247-I250 PolarHBondContact O-N 3.29Å; I250-S253 PolarHBondContact O-OG 3.08Å
251F87.7Confident68.1Low1 Ų182.8 Ų82.80%0.00441%0.414CS..Hα-helixtrans-96.5-29.5-178.9-59-53.9000113.1Y62 F64 M66 V72 V210 K214 C247 S253 Q254Y62-F251 HydrophobicContact CE1-CD2 4.42Å; F64-F251 HydrophobicContact CB-CB 4.4Å; F64-F251 HydrophobicContact CB-CD2 4.3Å; F64-F251 HydrophobicContact CB-CG 4.47Å; F64-F251 HydrophobicContact CD1-CB 3.62Å; F64-F251 AromaticContact CD1-CD1 3.67Å; F64-F251 HydrophobicContact CD1-CD1 3.67Å; F64-F251 HydrophobicContact CD1-CD2 4.01Å; F64-F251 HydrophobicContact CD1-CE1 4.32Å; F64-F251 AromaticContact CD1-CG 3.51Å; F64-F251 HydrophobicContact CD1-CG 3.51Å; F64-F251 HydrophobicContact CD2-CB 3.86Å; F64-F251 HydrophobicContact CE1-CB 3.73Å; F64-F251 AromaticContact CE1-CD1 3.62Å; F64-F251 HydrophobicContact CE1-CD1 3.62Å; F64-F251 HydrophobicContact CE1-CE1 4.41Å; F64-F251 AromaticContact CE1-CG 3.8Å; F64-F251 HydrophobicContact CE1-CG 3.8Å; F64-F251 HydrophobicContact CE2-CB 3.97Å; F64-F251 HydrophobicContact CG-CB 3.69Å; F64-F251 HydrophobicContact CG-CD2 4.27Å; F64-F251 AromaticContact CG-CG 3.96Å; F64-F251 HydrophobicContact CG-CG 3.96Å; F64-F251 HydrophobicContact CZ-CB 3.91Å; F64-F251 HydrophobicContact CZ-CD1 4.46Å; F64-F251 HydrophobicContact CZ-CG 4.47Å; M66-F251 HydrophobicContact CE-CE1 4.45Å; M66-F251 HydrophobicContact CG-CE1 3.98Å; M66-F251 HydrophobicContact CG-CZ 4.44Å; M66-F251 HydrophobicContact SD-CE1 4.03Å; M66-F251 HydrophobicContact SD-CZ 4.25Å; V72-F251 HydrophobicContact CB-CE2 4.28Å; V72-F251 HydrophobicContact CG1-CE2 4.19Å; V72-F251 HydrophobicContact CG2-CE2 4.49Å; V72-F251 HydrophobicContact CG2-CZ 4.28Å; V210-F251 HydrophobicContact CG1-CD2 4.3Å; V210-F251 HydrophobicContact CG1-CE2 3.6Å; V210-F251 HydrophobicContact CG1-CZ 3.89Å; K214-F251 HydrophobicContact CB-CE1 3.91Å; K214-F251 HydrophobicContact CB-CZ 4.36Å; K214-F251 HydrophobicContact CD-CD1 4.32Å; K214-F251 HydrophobicContact CD-CE1 4.07Å; K214-F251 HydrophobicContact CG-CE1 4.05Å; C247-F251 HydrophobicContact CB-CD2 3.94Å; C247-F251 HydrophobicContact CB-CE2 4.29Å; C247-F251 VanDerWaalsContact O-CB 3.31Å; C247-F251 WeakPolarHBondContact O-CB 3.25Å; C247-F251 WeakPolarHBondContact O-CD2 3.29Å; C247-F251 PolarHBondContact O-N 3.26Å; F251-S253 PolarHBondContact O-N 2.69Å; F251-S253 VanDerWaalsContact O-N 3.16Å; F251-Q254 WeakPolarHBondContact O-CB 3.21Å; F251-Q254 PolarHBondContact O-N 2.79Å
252G69.1Low65.3Low22 Ų2281.4 Ų81.423%0.22742%0.422CS..Hα-helixtrans-63.8-20179.800000114.5S248 Q254 Q255S248-G252 WeakPolarHBondContact O-CA 3.36Å; S248-G252 PolarHBondContact O-N 2.85Å; G252-Q254 PolarHBondContact O-N 2.93Å; G252-Q255 PolarHBondContact O-N 3.25Å
253S56.4Low62.1Low78 Ų7885.2 Ų85.255%0.54545%0.448SS..Hα-helixtrans-65.9-22.8169.458.50000113.4I250 F251I250-S253 PolarHBondContact O-OG 3.08Å; F251-S253 PolarHBondContact O-N 2.69Å; F251-S253 VanDerWaalsContact O-N 3.16Å
254Q51.7Low58.9Low40 Ų4089.9 Ų89.919%0.18749%0.487CS..Hα-helixtrans-80.9-20.2175.2-67.3-167.7-13.800112.9F64 F251 G252 K256 Q257F64-Q254 HydrophobicContact CZ-CB 4.17Å; F251-Q254 WeakPolarHBondContact O-CB 3.21Å; F251-Q254 PolarHBondContact O-N 2.79Å; G252-Q254 PolarHBondContact O-N 2.93Å; Q254-K256 VanDerWaalsContact C-N 3.32Å; Q254-K256 PolarHBondContact O-N 2.81Å; Q254-Q257 PolarHBondContact O-N 2.87Å
255Q43.7Very low55.9Low135 Ų13594.8 Ų94.863%0.63151%0.51SS*.Hα-helixtrans-74.1-22-178.7-139.4172.520.200112.9G252 Q257G252-Q255 PolarHBondContact O-N 3.25Å; Q255-Q257 VanDerWaalsContact C-N 3.34Å; Q255-Q257 PolarHBondContact O-N 2.97Å
256K38.3Very low52.5Low198 Ų19899.6 Ų99.686%0.86154%0.541SS*.THydrogen-bonded Turntrans-80.8-3.2177.6-80.1-173.5176.5-178.50115.2Q254Q254-K256 VanDerWaalsContact C-N 3.32Å; Q254-K256 PolarHBondContact O-N 2.81Å
257Q32.6Very low49.3Very low149 Ų149106.3 Ų106.370%0.69658%0.582SS**THydrogen-bonded Turntrans-105.6-0.5-178.9-82.8-177.3-18.600114.9Q254 Q255Q254-Q257 PolarHBondContact O-N 2.87Å; Q255-Q257 VanDerWaalsContact C-N 3.34Å; Q255-Q257 PolarHBondContact O-N 2.97Å
258S31.4Very low46.3Very low98 Ų98117.6 Ų117.669%0.68562%0.624SS**SBendtrans-129.89.6-171.3-131.40000116.7
259Y26.1Very low43.3Very low214 Ų214121.2 Ų121.284%0.83965%0.65SS**  trans-135.454.7177.9-79.3-86.4000112.2
260S30.6Very low40.4Very low99 Ų99118.2 Ų118.269%0.69266%0.661SS**  trans-110.287.1157490000106.7
261N31.3Very low37.4Very low167 Ų167120.5 Ų120.589%0.89369%0.69SS**SBendtrans155.868.4157-78-14.8000110.9
262A28.1Very low34.7Very low88 Ų88128.3 Ų128.373%0.72773%0.732SS**SBendtrans-165.7100.2150.100000109.8
263V26.6Very low32.9Very low124 Ų124131.9 Ų131.975%0.75276%0.759SS**  trans67.382.5146.7-161.30000116.3Q265V263-Q265 HydrophobicContact CG1-CB 4.28Å; V263-Q265 PolarHBondContact O-N 3.41Å; V263-Q265 VanDerWaalsContact O-N 3.14Å
264A28.1Very low32.3Very low99 Ų99137.2 Ų137.282%0.81878%0.776SS**  trans-50105.5134.700000109.6
265Q30.8Very low32.8Very low168 Ų168140.3 Ų140.379%0.78579%0.79SS**  trans-178.982.3148-101.5178.18.800109.4V263V263-Q265 HydrophobicContact CG1-CB 4.28Å; V263-Q265 PolarHBondContact O-N 3.41Å; V263-Q265 VanDerWaalsContact O-N 3.14Å
266N24.1Very low34.3Very low170 Ų170135.7 Ų135.791%0.90977%0.772SS**  trans163.175.7141.8-88.7-16.3000109.4R268N266-R268 PolarHBondContact O-N 3.1Å
267T29.3Very low36.4Very low140 Ų140129.2 Ų129.286%0.85975%0.752SS**  trans-70103.3161.629.90000109.2
268R30.7Very low38.7Very low238 Ų238122.4 Ų122.490%0.89872%0.72SS**  trans-177.5104.2143.1-101.1166.2-169.8-163.73.9110N266N266-R268 PolarHBondContact O-N 3.1Å
269S27.7Very low41Very low126 Ų126124.8 Ų124.888%0.88172%0.718SS**  trans155.793.6135.1-670000109.2
270A31.7Very low43.6Very low108 Ų108115 Ų11589%0.89368%0.68SS**  trans-88.1138.4166.500000109.5
271G29.9Very low46Very low69 Ų69112 Ų11271%0.71167%0.665SS**  trans103.6110.5153.900000116.6
272N29.6Very low48.5Very low164 Ų164107.4 Ų107.488%0.87764%0.64SS**  -169.6109128.5-98.2-18.9000110.9
273A32.8Very low51.5Low97 Ų97103.2 Ų103.280%0.80261%0.606SS**PPolyproline II helixtrans-69.2122.8153.700000107.2Q275A273-Q275 PolarHBondContact O-N 3.48Å
274Q44Very low54.6Low191 Ų19199.7 Ų99.789%0.89358%0.582SS**PPolyproline II helixtrans-63.9125-176.3-102.3162.5-21.400111.4
275Q62.2Low57.7Low104 Ų10495 Ų9549%0.48654%0.543SS..PPolyproline II helixtrans-72.9137.4174.2-67.8176.7-12.900109.7A273 S277 T286 K288A273-Q275 PolarHBondContact O-N 3.48Å; Q275-S277 PolarHBondContact O-N 3.33Å; Q275-T286 HydrophobicContact CB-CG2 4.34Å; Q275-K288 VanDerWaalsContact OE1-CE 3.23Å
276P74.8Confident60.6Low38 Ų3887.6 Ų87.625%0.24751%0.51CS..PPolyproline II helixtrans-63.8123.7179.8-16.628.1000111.1L287 F440P276-L287 HydrophobicContact CB-CB 4.28Å; P276-L287 PolarHBondContact O-N 3Å; P276-F440 HydrophobicContact CG-CZ 4.14Å
277S82.3Confident63.9Low63 Ų6379.5 Ų79.544%0.44147%0.467SS..EExtended strand (participates in β ladder)trans-137140.8177.264.20000111.2Q275 L285Q275-S277 PolarHBondContact O-N 3.33Å; S277-L285 CarbonylContact C-O 3.49Å; S277-L285 VanDerWaalsContact CA-O 3.25Å; S277-L285 WeakPolarHBondContact CA-O 3.29Å
278V80.8Confident66.9Low5 Ų574.8 Ų74.83%0.0343%0.434CS..EExtended strand (participates in β ladder)trans-126133.7179.9175.90000109I280 L285 M447 E451V278-I280 HydrophobicContact CG1-CD1 4.5Å; V278-I280 HydrophobicContact CG1-CG1 3.92Å; V278-L285 PolarHBondContact N-O 3.04Å; V278-L285 PolarHBondContact O-N 3.33Å; V278-M447 HydrophobicContact CG2-CB 4.14Å; V278-M447 HydrophobicContact CG2-CE 4.17Å; V278-E451 HydrophobicContact CB-CB 4.4Å; V278-E451 HydrophobicContact CG1-CB 3.56Å; V278-E451 HydrophobicContact CG1-CG 3.74Å; V278-E451 HydrophobicContact CG2-CB 3.97Å; V278-E451 HydrophobicContact CG2-CG 4.4Å
279K80.7Confident69.5Low148 Ų14867.1 Ų67.164%0.64341%0.407SS*.EExtended strand (participates in β ladder)trans-95121.6172.2-168.7176.3179.4-177.50110.4G281K279-G281 WeakPolarHBondContact CE-O 3.2Å; K279-G281 WeakPolarHBondContact CG-O 3.37Å
280I79.6Confident72.5Confident8 Ų861.7 Ų61.74%0.04137%0.371CS..EExtended strand (participates in β ladder)trans-117.399.2177.6-53.5179.3000108V278 N282 V283 L285 L412 V415 A419 M454V278-I280 HydrophobicContact CG1-CD1 4.5Å; V278-I280 HydrophobicContact CG1-CG1 3.92Å; I280-N282 PolarHBondContact O-N 3.02Å; I280-V283 PolarHBondContact N-O 3.39Å; I280-V283 WeakPolarHBondContact O-CB 3.36Å; I280-V283 PolarHBondContact O-N 3.25Å; I280-L285 HydrophobicContact CD1-CD2 4.47Å; I280-L412 HydrophobicContact CD1-CD1 4.09Å; I280-V415 HydrophobicContact CD1-CG1 4.31Å; I280-A419 HydrophobicContact CB-CB 4.13Å; I280-A419 HydrophobicContact CG2-CB 3.5Å; I280-A419 VanDerWaalsContact CG2-CB 3.5Å; I280-A419 WeakPolarHBondContact O-CB 3.42Å; I280-M454 HydrophobicContact CB-SD 4.13Å; I280-M454 HydrophobicContact CD1-CE 4.34Å; I280-M454 HydrophobicContact CD1-SD 4.12Å; I280-M454 HydrophobicContact CG1-SD 3.79Å; I280-M454 HydrophobicContact CG2-CE 3.57Å; I280-M454 HydrophobicContact CG2-SD 3.5Å; I280-M454 WeakPolarHBondContact CG2-SD 3.17Å
281G81.4Confident75.4Confident36 Ų3660.1 Ų60.137%0.37134%0.344SS..THydrogen-bonded Turntrans57.9-121-17200000110.9K279K279-G281 WeakPolarHBondContact CE-O 3.2Å; K279-G281 WeakPolarHBondContact CG-O 3.37Å
282N83.6Confident78.5Confident71 Ų7157.3 Ų57.338%0.3831%0.313SS..THydrogen-bonded Turntrans-93.96.2175.4-66.3-28.5000113.7I280 L423 N424 R425 M426I280-N282 PolarHBondContact O-N 3.02Å; N282-L423 PolarHBondContact ND2-O 3.45Å; N282-N424 WeakPolarHBondContact CB-O 3.26Å; N282-R425 VanDerWaalsContact O-CA 3.28Å; N282-R425 WeakPolarHBondContact O-CA 3.5Å; N282-M426 PolarHBondContact O-N 2.75Å
283V90.5Very high81.6Confident0 Ų050.8 Ų50.80%028%0.277CS..EExtended strand (participates in β ladder)trans-97.7125.1177.8-176.20000110.1I280 V415 F418 A419 M426 V428I280-V283 PolarHBondContact N-O 3.39Å; I280-V283 WeakPolarHBondContact O-CB 3.36Å; I280-V283 PolarHBondContact O-N 3.25Å; V283-V415 HydrophobicContact CG1-CG1 4.15Å; V283-F418 HydrophobicContact CG2-CD1 3.99Å; V283-F418 HydrophobicContact CG2-CE1 3.93Å; V283-A419 HydrophobicContact CB-CB 3.97Å; V283-A419 HydrophobicContact CG2-CB 3.53Å; V283-M426 CarbonylContact C-O 3.55Å; V283-M426 VanDerWaalsContact CA-O 3.23Å; V283-M426 WeakPolarHBondContact CA-O 3.34Å; V283-M426 HydrophobicContact CG1-CB 4.49Å; V283-M426 WeakPolarHBondContact CG1-O 3.31Å; V283-M426 HydrophobicContact CG2-CB 4.25Å; V283-V428 HydrophobicContact CG1-CB 4.22Å; V283-V428 HydrophobicContact CG1-CG2 3.5Å
284L91.6Very high84.6Confident51 Ų5151.1 Ų51.127%0.26726%0.262SS..EExtended strand (participates in β ladder)trans-98.2107171.5177.563000109.1M426 D427 V428L284-M426 PolarHBondContact N-O 2.81Å; L284-D427 CarbonylContact O-C 3.48Å; L284-D427 WeakPolarHBondContact O-CA 3.34Å; L284-V428 PolarHBondContact O-N 2.94Å
285L93.3Very high87.1Confident0 Ų043.1 Ų43.10%023%0.225CC..EExtended strand (participates in β ladder)trans-93.1118.6177.3-179.664.9000110.5S277 V278 I280 L412 V415 V428 F430 M447S277-L285 CarbonylContact C-O 3.49Å; S277-L285 VanDerWaalsContact CA-O 3.25Å; S277-L285 WeakPolarHBondContact CA-O 3.29Å; V278-L285 PolarHBondContact N-O 3.04Å; V278-L285 PolarHBondContact O-N 3.33Å; I280-L285 HydrophobicContact CD1-CD2 4.47Å; L285-L412 HydrophobicContact CD2-CD1 3.28Å; L285-V415 HydrophobicContact CD2-CG1 4.48Å; L285-V428 CarbonylContact C-O 3.54Å; L285-V428 VanDerWaalsContact CA-O 3.25Å; L285-V428 WeakPolarHBondContact CA-O 3.29Å; L285-V428 HydrophobicContact CD1-CB 3.79Å; L285-V428 HydrophobicContact CD1-CG1 3.51Å; L285-F430 HydrophobicContact CD1-CD1 4.12Å; L285-F430 HydrophobicContact CD1-CD2 3.94Å; L285-F430 HydrophobicContact CD1-CE1 4.1Å; L285-F430 HydrophobicContact CD1-CE2 3.95Å; L285-F430 HydrophobicContact CD1-CG 4.07Å; L285-F430 HydrophobicContact CD1-CZ 4.04Å; L285-F430 HydrophobicContact CD2-CD2 4.31Å; L285-F430 HydrophobicContact CD2-CE2 3.97Å; L285-M447 HydrophobicContact CB-CE 4.47Å; L285-M447 HydrophobicContact CD2-CE 3.83Å; L285-M447 HydrophobicContact CD2-CG 4.14Å; L285-M447 HydrophobicContact CD2-SD 4.13Å; L285-M447 HydrophobicContact CG-CE 3.7Å; L285-M447 HydrophobicContact CG-SD 4.39Å
286T93Very high88.6Confident13 Ų1344 Ų448%0.0823%0.233CC..EExtended strand (participates in β ladder)trans-117.2131.6179.2-49.50000111.5Q275 K288 V428 H429 F430Q275-T286 HydrophobicContact CB-CG2 4.34Å; T286-K288 HydrophobicContact CG2-CD 4.4Å; T286-K288 HydrophobicContact CG2-CG 3.88Å; T286-V428 PolarHBondContact N-O 3.23Å; T286-H429 CarbonylContact O-C 3.54Å; T286-H429 VanDerWaalsContact O-CA 3.29Å; T286-H429 WeakPolarHBondContact O-CA 3.43Å; T286-F430 PolarHBondContact O-N 2.85Å
287L92.7Very high89.6Confident0 Ų042.3 Ų42.30%022%0.222CC..EExtended strand (participates in β ladder)trans-93.3124.2171.6-17165.9000109.8P276 F430 I432 F440 L443 M447P276-L287 HydrophobicContact CB-CB 4.28Å; P276-L287 PolarHBondContact O-N 3Å; L287-F430 WeakPolarHBondContact CA-O 3.35Å; L287-F430 HydrophobicContact CD1-CB 3.71Å; L287-I432 HydrophobicContact CD1-CG1 3.88Å; L287-F440 HydrophobicContact CD1-CD2 4.45Å; L287-F440 HydrophobicContact CD2-CD2 3.92Å; L287-F440 HydrophobicContact CD2-CE1 4.4Å; L287-F440 HydrophobicContact CD2-CE2 3.79Å; L287-F440 HydrophobicContact CD2-CG 4.3Å; L287-F440 HydrophobicContact CD2-CZ 4.05Å; L287-F440 HydrophobicContact CG-CD2 3.88Å; L287-F440 HydrophobicContact CG-CE2 3.59Å; L287-F440 HydrophobicContact CG-CZ 4.22Å; L287-L443 HydrophobicContact CD1-CB 3.9Å; L287-L443 HydrophobicContact CD1-CD2 3.7Å; L287-L443 HydrophobicContact CD1-CG 4.47Å; L287-L443 HydrophobicContact CD2-CB 4.12Å; L287-M447 HydrophobicContact CB-CE 3.97Å; L287-M447 HydrophobicContact CB-SD 3.77Å; L287-M447 HydrophobicContact CD1-SD 4.24Å; L287-M447 HydrophobicContact CD2-SD 4.35Å; L287-M447 HydrophobicContact CG-SD 4.35Å
288K91.4Very high90.4Very high40 Ų4040.4 Ų40.417%0.17421%0.206CC..EExtended strand (participates in β ladder)trans-127.1143.9-177.7-61.1-172.4179170.90111.1Q275 T286 H429 F430 V431 I432Q275-K288 VanDerWaalsContact OE1-CE 3.23Å; T286-K288 HydrophobicContact CG2-CD 4.4Å; T286-K288 HydrophobicContact CG2-CG 3.88Å; K288-H429 PolarHBondContact NZ-CE1 2.73Å; K288-H429 PolarHBondContact NZ-NE2 3.11Å; K288-F430 PolarHBondContact N-O 3.39Å; K288-V431 HydrophobicContact CB-CG2 4.17Å; K288-V431 WeakPolarHBondContact O-CA 3.48Å; K288-I432 PolarHBondContact O-N 3.11Å
289K86.8Confident91.2Very high78 Ų7840.1 Ų40.134%0.33921%0.205SC..EExtended strand (participates in β ladder)trans-87.9124.9161.5-71.8-164.2171.8-165.10108.8I432 H437 F440K289-I432 CarbonylContact C-O 3.55Å; K289-I432 VanDerWaalsContact CA-O 3.31Å; K289-I432 WeakPolarHBondContact CA-O 3.38Å; K289-H437 PolarHBondContact NZ-CE1 3.12Å; K289-H437 PolarHBondContact NZ-ND1 3.23Å; K289-F440 HydrophobicContact CB-CE2 4.47Å; K289-F440 HydrophobicContact CD-CD2 4.26Å; K289-F440 HydrophobicContact CD-CE2 4.43Å; K289-F440 HydrophobicContact CD-CG 4.39Å; K289-F440 VanDerWaalsContact CE-CG 3.47Å; K289-F440 HydrophobicContact CG-CD2 3.39Å; K289-F440 HydrophobicContact CG-CE2 3.45Å; K289-F440 VanDerWaalsContact CG-CE2 3.45Å; K289-F440 HydrophobicContact CG-CG 3.99Å; K289-F440 HydrophobicContact CG-CZ 4.09Å
290G90.7Very high92.1Very high12 Ų1233.1 Ų33.112%0.12417%0.174CC..SBendtrans176.2170.9-177.600000112V431 I432 F433G290-V431 WeakPolarHBondContact O-CG1 3.4Å; G290-I432 PolarHBondContact N-O 3.41Å; G290-I432 CarbonylContact O-C 2.96Å; G290-I432 VanDerWaalsContact O-O 3.1Å; G290-F433 WeakPolarHBondContact O-CA 3.4Å
291K92.8Very high92.9Very high74 Ų7432.7 Ų32.732%0.32217%0.172SC..  trans-87.7133171-78.8168.9171.7-170.10109.4E293 E294 Q295 F433K291-E293 VanDerWaalsContact C-N 3.28Å; K291-E293 WeakPolarHBondContact CB-OE1 3.27Å; K291-E293 WeakPolarHBondContact CB-OE2 3.42Å; K291-E293 WeakPolarHBondContact CD-OE1 3.28Å; K291-E293 PolarHBondContact O-N 3.23Å; K291-E294 HydrophobicContact CB-CB 4.17Å; K291-E294 HydrophobicContact CB-CG 3.92Å; K291-E294 HydrophobicContact CD-CG 4.22Å; K291-E294 WeakPolarHBondContact CD-OE1 3.38Å; K291-E294 IonicContact NZ-OE1 2.87Å; K291-E294 PolarHBondContact NZ-OE1 2.85Å; K291-E294 VanDerWaalsContact NZ-OE1 3.11Å; K291-E294 PolarHBondContact O-N 3.22Å; K291-Q295 WeakPolarHBondContact O-CG 3.26Å; K291-Q295 PolarHBondContact O-NE2 3.04Å; K291-F433 HydrophobicContact CG-CD2 4.21Å; K291-F433 HydrophobicContact CG-CE2 3.86Å
292I95.1Very high93.7Very high11 Ų1131 Ų316%0.05616%0.155CC..G310 helixtrans-66.3-34.3-173.3-168.968.2000111.6E294 Q295 I300 I315 I319 T391 P393 V431I292-E294 PolarHBondContact O-N 3.44Å; I292-Q295 WeakPolarHBondContact O-CB 3.43Å; I292-Q295 WeakPolarHBondContact O-CG 3.41Å; I292-Q295 PolarHBondContact O-N 2.94Å; I292-I300 HydrophobicContact CG1-CG2 4.03Å; I292-I315 HydrophobicContact CG2-CG2 4.23Å; I292-I319 HydrophobicContact CG2-CD1 4.22Å; I292-I319 HydrophobicContact CG2-CG1 4.09Å; I292-T391 HydrophobicContact CD1-CG2 3.41Å; I292-T391 VanDerWaalsContact CD1-CG2 3.41Å; I292-P393 HydrophobicContact CD1-CB 4.35Å; I292-P393 HydrophobicContact CG1-CB 4.47Å; I292-V431 HydrophobicContact CD1-CB 4.02Å; I292-V431 HydrophobicContact CD1-CG1 4.41Å
293E94.8Very high94.1Very high26 Ų2629 Ų2912%0.12115%0.145CC..G310 helixtrans-73.5-11.217973.2-79.5-172.100113.5K291 A318 K322 L348K291-E293 VanDerWaalsContact C-N 3.28Å; K291-E293 WeakPolarHBondContact CB-OE1 3.27Å; K291-E293 WeakPolarHBondContact CB-OE2 3.42Å; K291-E293 WeakPolarHBondContact CD-OE1 3.28Å; K291-E293 PolarHBondContact O-N 3.23Å; E293-A318 HydrophobicContact CG-CB 4.41Å; E293-K322 HydrophobicContact CB-CB 3.83Å; E293-K322 HydrophobicContact CB-CG 4.14Å; E293-K322 HydrophobicContact CG-CB 4.05Å; E293-K322 HydrophobicContact CG-CG 4.36Å; E293-L348 HydrophobicContact CB-CD2 4.2Å
294E95.2Very high94.2Very high104 Ų10429.5 Ų29.549%0.48615%0.149SC..G310 helixtrans-100.73.6177.7-63.6178.1179.500112.6K291 I292K291-E294 HydrophobicContact CB-CB 4.17Å; K291-E294 HydrophobicContact CB-CG 3.92Å; K291-E294 HydrophobicContact CD-CG 4.22Å; K291-E294 WeakPolarHBondContact CD-OE1 3.38Å; K291-E294 IonicContact NZ-OE1 2.87Å; K291-E294 PolarHBondContact NZ-OE1 2.85Å; K291-E294 VanDerWaalsContact NZ-OE1 3.11Å; K291-E294 PolarHBondContact O-N 3.22Å; I292-E294 PolarHBondContact O-N 3.44Å
295Q95.4Very high94.1Very high23 Ų2327.9 Ų27.911%0.10714%0.142CC..  trans-80.6152.6-177.7-55-58.9-56.500112.1K291 I292 I300 T391 V431K291-Q295 WeakPolarHBondContact O-CG 3.26Å; K291-Q295 PolarHBondContact O-NE2 3.04Å; I292-Q295 WeakPolarHBondContact O-CB 3.43Å; I292-Q295 WeakPolarHBondContact O-CG 3.41Å; I292-Q295 PolarHBondContact O-N 2.94Å; Q295-I300 HydrophobicContact CB-CD1 4.47Å; Q295-T391 HydrophobicContact CG-CG2 4.17Å; Q295-V431 HydrophobicContact CG-CG1 4.28Å; Q295-V431 HydrophobicContact CG-CG2 3.94Å
296N94.9Very high93.8Very high123 Ų12332.8 Ų32.866%0.65817%0.168SC*.  trans-120.127.5-173.766.2-10.9000113.7Y349N296-Y349 WeakPolarHBondContact CA-O 3.16Å
297T96.1Very high93.6Very high3 Ų338.3 Ų38.32%0.01819%0.193CC..SBendtrans-77.8160.417449.50000111.6V299 C350 S389 T391 H429T297-V299 PolarHBondContact O-N 3.46Å; T297-V299 PolarHBondContact OG1-O 3.45Å; T297-C350 VanDerWaalsContact O-CA 3.28Å; T297-C350 WeakPolarHBondContact O-CA 3.31Å; T297-C350 WeakPolarHBondContact O-CB 3.47Å; T297-S389 WeakPolarHBondContact CA-OG 3.45Å; T297-T391 WeakPolarHBondContact CB-OG1 3.38Å; T297-T391 WeakPolarHBondContact CG2-OG1 3.42Å; T297-T391 WeakPolarHBondContact OG1-CB 3.39Å; T297-T391 PolarHBondContact OG1-N 2.91Å; T297-T391 PolarHBondContact OG1-OG1 3.01Å; T297-H429 WeakPolarHBondContact CG2-ND1 3.04Å
298D97.8Very high93.6Very high22 Ų2241.7 Ų41.712%0.11821%0.206CC..SBendtrans-58.1-37.8178.6-62.1-54.3000111.5K351 E352 Y387 N388 S389D298-K351 HydrophobicContact CB-CD 4.15Å; D298-K351 WeakPolarHBondContact O-CA 3.4Å; D298-K351 WeakPolarHBondContact O-CB 3.49Å; D298-K351 PolarHBondContact O-N 3.18Å; D298-K351 WeakPolarHBondContact OD1-CD 3.38Å; D298-K351 WeakPolarHBondContact OD1-CE 3.3Å; D298-K351 IonicContact OD1-NZ 2.72Å; D298-K351 PolarHBondContact OD1-NZ 3.46Å; D298-E352 PolarHBondContact O-N 3.28Å; D298-Y387 HydrophobicContact CB-CD1 3.65Å; D298-Y387 HydrophobicContact CB-CE1 4.48Å; D298-Y387 HydrophobicContact CB-CG 3.88Å; D298-N388 WeakPolarHBondContact OD2-CA 3.19Å; D298-N388 PolarHBondContact OD2-N 2.96Å; D298-S389 WeakPolarHBondContact CB-O 3.31Å; D298-S389 PolarHBondContact N-O 2.98Å; D298-S389 PolarHBondContact N-OG 3.39Å; D298-S389 PolarHBondContact OD2-N 2.83Å; D298-S389 PolarHBondContact OD2-OG 3.42Å
299V98.4Very high93.6Very high0 Ų042 Ų420%021%0.209CC..EExtended strand (participates in β ladder)trans-123136.2176.7179.70000111.2T297 V301 E352 F354 A382 Y387 S389 I390 T391T297-V299 PolarHBondContact O-N 3.46Å; T297-V299 PolarHBondContact OG1-O 3.45Å; V299-V301 HydrophobicContact CG1-CG2 4.41Å; V299-E352 WeakPolarHBondContact CA-O 3.44Å; V299-F354 HydrophobicContact CG1-CB 4.25Å; V299-F354 HydrophobicContact CG1-CD1 3.91Å; V299-F354 HydrophobicContact CG1-CD2 3.55Å; V299-F354 HydrophobicContact CG1-CE1 4.06Å; V299-F354 HydrophobicContact CG1-CE2 3.72Å; V299-F354 HydrophobicContact CG1-CG 3.64Å; V299-F354 HydrophobicContact CG1-CZ 3.96Å; V299-F354 HydrophobicContact CG2-CE1 4.4Å; V299-F354 HydrophobicContact CG2-CE2 4.25Å; V299-F354 HydrophobicContact CG2-CZ 3.98Å; V299-A382 HydrophobicContact CG2-CB 4.32Å; V299-Y387 HydrophobicContact CG2-CD2 3.31Å; V299-Y387 HydrophobicContact CG2-CE2 3.75Å; V299-Y387 HydrophobicContact CG2-CG 3.87Å; V299-S389 PolarHBondContact N-O 2.87Å; V299-I390 HydrophobicContact CB-CB 4.11Å; V299-I390 HydrophobicContact CB-CD1 4.08Å; V299-I390 HydrophobicContact CB-CG1 3.83Å; V299-I390 HydrophobicContact CG1-CD1 3.78Å; V299-I390 HydrophobicContact CG1-CG1 3.87Å; V299-I390 WeakPolarHBondContact O-CA 3.49Å; V299-T391 PolarHBondContact O-N 2.98Å
300I98.4Very high93.9Very high0 Ų038.2 Ų38.20%019%0.193CC..EExtended strand (participates in β ladder)trans-109.9129.7166.9-68172.9000108.7I292 Q295 I319 L348 C350 E352 V353 F354I292-I300 HydrophobicContact CG1-CG2 4.03Å; Q295-I300 HydrophobicContact CB-CD1 4.47Å; I300-I319 HydrophobicContact CG2-CD1 4.08Å; I300-L348 HydrophobicContact CD1-CB 4.46Å; I300-L348 HydrophobicContact CD1-CD2 4.49Å; I300-C350 HydrophobicContact CD1-CB 3.86Å; I300-C350 HydrophobicContact CG1-CB 3.81Å; I300-E352 PolarHBondContact N-O 3.04Å; I300-V353 WeakPolarHBondContact O-CA 3.24Å; I300-F354 PolarHBondContact O-N 3.19Å
301V98.2Very high94Very high0 Ų041.2 Ų41.20%021%0.212CC..EExtended strand (participates in β ladder)trans-96.6129.7177.4-175.70000109.9V299 F354 T356 C378 I390 T391 F392 P393 I395V299-V301 HydrophobicContact CG1-CG2 4.41Å; V301-F354 CarbonylContact C-O 3.59Å; V301-F354 WeakPolarHBondContact CA-O 3.36Å; V301-F354 HydrophobicContact CG2-CB 4.35Å; V301-T356 HydrophobicContact CG1-CG2 3.64Å; V301-C378 HydrophobicContact CG2-CB 4.42Å; V301-I390 HydrophobicContact CG2-CD1 3.7Å; V301-I390 HydrophobicContact CG2-CG1 3.76Å; V301-T391 WeakPolarHBondContact CB-O 3.27Å; V301-T391 WeakPolarHBondContact CG2-O 3.24Å; V301-T391 PolarHBondContact N-O 3.12Å; V301-F392 HydrophobicContact CB-CD1 3.78Å; V301-F392 HydrophobicContact CB-CE1 4.15Å; V301-F392 HydrophobicContact CB-CG 4.29Å; V301-F392 HydrophobicContact CG1-CD1 3.75Å; V301-F392 HydrophobicContact CG1-CE1 3.99Å; V301-F392 HydrophobicContact CG2-CD1 3.69Å; V301-F392 HydrophobicContact CG2-CE1 3.62Å; V301-F392 HydrophobicContact CG2-CE2 4.45Å; V301-F392 HydrophobicContact CG2-CG 4.14Å; V301-F392 HydrophobicContact CG2-CZ 4.02Å; V301-P393 WeakPolarHBondContact O-CD 3.37Å; V301-I395 HydrophobicContact CG1-CD1 4.2Å
302N97Very high93.7Very high0 Ų041.6 Ų41.60%022%0.216CC..EExtended strand (participates in β ladder)trans-107.5153.9174.1-174.420000110.8S316 I319 V353 F354 H355 T356N302-S316 VanDerWaalsContact CG-OG 3.29Å; N302-S316 PolarHBondContact ND2-OG 2.86Å; N302-S316 VanDerWaalsContact OD1-CA 3.31Å; N302-S316 WeakPolarHBondContact OD1-CA 3.29Å; N302-S316 PolarHBondContact OD1-N 3.4Å; N302-S316 PolarHBondContact OD1-OG 3.1Å; N302-I319 HydrophobicContact CB-CD1 3.61Å; N302-V353 HydrophobicContact CB-CG1 4.28Å; N302-F354 PolarHBondContact N-O 3.26Å; N302-H355 PolarHBondContact ND2-ND1 3.5Å; N302-H355 VanDerWaalsContact ND2-ND1 3.17Å; N302-T356 PolarHBondContact O-N 3.4Å; N302-T356 PolarHBondContact O-OG1 2.94Å
303T93.1Very high93.2Very high28 Ų2843.3 Ų43.317%0.17224%0.237CC..EExtended strand (participates in β ladder)trans-106.5101.9168.357.80000109S316 P393 I395T303-S316 PolarHBondContact O-OG 3.28Å; T303-P393 HydrophobicContact CG2-CG 4.14Å; T303-I395 HydrophobicContact CG2-CB 4Å; T303-I395 HydrophobicContact CG2-CD1 4.11Å; T303-I395 HydrophobicContact CG2-CG1 3.59Å; T303-I395 HydrophobicContact CG2-CG2 3.66Å
304A92.3Very high93Very high11 Ų1151.7 Ų51.79%0.09127%0.273CS..  trans-97.1151.2-174.900000112.3L310 M331 H355 T356 F357A304-L310 HydrophobicContact CB-CD2 4.17Å; A304-M331 HydrophobicContact CB-CE 3.86Å; A304-H355 HydrophobicContact CB-CB 4.17Å; A304-T356 PolarHBondContact N-O 3.24Å; A304-F357 HydrophobicContact CB-CE1 4.24Å; A304-F357 HydrophobicContact CB-CZ 4.4Å
305S89.7Confident92.9Very high17 Ų1749 Ų4912%0.11926%0.261CS..  trans-67.4155.2171.362.80000111.4E307 R308 N309 F357S305-E307 WeakPolarHBondContact CB-OE2 3.46Å; S305-E307 PolarHBondContact O-N 3.19Å; S305-R308 PolarHBondContact O-N 3.48Å; S305-N309 PolarHBondContact OG-N 3.03Å; S305-N309 VanDerWaalsContact OG-N 3.11Å; S305-N309 PolarHBondContact OG-O 3.44Å; S305-F357 WeakPolarHBondContact O-CD1 3.34Å; S305-F357 WeakPolarHBondContact O-CE1 3.48Å
306L86.7Confident92.8Very high103 Ų10347.9 Ų47.954%0.53926%0.256SS..THydrogen-bonded Turntrans-63.6-27.6179.4-67.5176.5000112.1R308 F357L306-R308 PolarHBondContact O-N 3.38Å; L306-F357 HydrophobicContact CD2-CB 4.4Å; L306-F357 HydrophobicContact CD2-CD1 4.36Å
307E88.4Confident92.8Very high130 Ų13042.6 Ų42.661%0.60723%0.231SC*.THydrogen-bonded Turntrans-74.5-1.3176.5-5775.6-165.500112.9S305 N309S305-E307 WeakPolarHBondContact CB-OE2 3.46Å; S305-E307 PolarHBondContact O-N 3.19Å; E307-N309 PolarHBondContact O-N 2.8Å; E307-N309 VanDerWaalsContact O-N 3.16Å
308R92.5Very high92.8Very high70 Ų7043.5 Ų43.526%0.26424%0.239SC..  trans59.820.6-177.3-51.1-173.4179.3-161.71.1113.8S305 L306 Q328 M331 Y332 A334 F357S305-R308 PolarHBondContact O-N 3.48Å; L306-R308 PolarHBondContact O-N 3.38Å; R308-Q328 PolarHBondContact O-NE2 2.9Å; R308-M331 HydrophobicContact CB-CE 4.25Å; R308-M331 HydrophobicContact CB-CG 4.11Å; R308-M331 HydrophobicContact CG-CE 4.49Å; R308-M331 WeakPolarHBondContact O-CG 3.29Å; R308-Y332 HydrophobicContact CB-CD1 4.42Å; R308-A334 PolarHBondContact NH1-O 3.4Å; R308-F357 HydrophobicContact CG-CE1 3.94Å; R308-F357 HydrophobicContact CG-CZ 3.99Å
309N92Very high92.7Very high46 Ų4642.5 Ų42.525%0.24623%0.233CC..  trans-93.9111.3177.3-176.4-15.6000109.6S305 E307 S311 I312S305-N309 PolarHBondContact OG-N 3.03Å; S305-N309 VanDerWaalsContact OG-N 3.11Å; S305-N309 PolarHBondContact OG-O 3.44Å; E307-N309 PolarHBondContact O-N 2.8Å; E307-N309 VanDerWaalsContact O-N 3.16Å; N309-S311 VanDerWaalsContact C-N 3.27Å; N309-S311 PolarHBondContact O-N 3.07Å; N309-S311 VanDerWaalsContact OD1-CB 3.28Å; N309-S311 WeakPolarHBondContact OD1-CB 3.19Å; N309-S311 PolarHBondContact OD1-N 3.07Å; N309-S311 PolarHBondContact OD1-OG 3.43Å; N309-I312 HydrophobicContact CB-CD1 3.87Å; N309-I312 HydrophobicContact CB-CG1 4.08Å; N309-I312 WeakPolarHBondContact O-CB 3.32Å; N309-I312 PolarHBondContact O-N 2.92Å
310L93.4Very high92.7Very high0 Ų042.7 Ų42.70%023%0.234CC..THydrogen-bonded Turntrans-76-12.3-178.3-55.2179.5000112.8A304 I312 S316 G317 L320 I327 Q328 M331 H355A304-L310 HydrophobicContact CB-CD2 4.17Å; L310-I312 PolarHBondContact O-N 2.83Å; L310-S316 CarbonylContact O-C 3.56Å; L310-S316 WeakPolarHBondContact O-CB 3.43Å; L310-G317 WeakPolarHBondContact O-CA 2.76Å; L310-G317 PolarHBondContact O-N 3.48Å; L310-L320 HydrophobicContact CB-CB 4.13Å; L310-L320 HydrophobicContact CB-CD1 4.46Å; L310-L320 HydrophobicContact CB-CD2 4.21Å; L310-I327 HydrophobicContact CD1-CG1 4.28Å; L310-I327 HydrophobicContact CD1-CG2 3.77Å; L310-Q328 VanDerWaalsContact CB-OE1 3.27Å; L310-M331 HydrophobicContact CD1-CB 4.3Å; L310-M331 HydrophobicContact CD1-CG 4.4Å; L310-M331 HydrophobicContact CD2-CE 4.34Å; L310-M331 HydrophobicContact CD2-CG 4.2Å; L310-M331 HydrophobicContact CD2-SD 4.48Å; L310-M331 HydrophobicContact CG-CG 4.27Å; L310-H355 WeakPolarHBondContact CD2-ND1 3.27Å
311S90.9Very high92.6Very high74 Ų7448.8 Ų48.852%0.51727%0.267SS..THydrogen-bonded Turntrans-72.7-11.4169.4-51.70000112.6N309 L320N309-S311 VanDerWaalsContact C-N 3.27Å; N309-S311 PolarHBondContact O-N 3.07Å; N309-S311 VanDerWaalsContact OD1-CB 3.28Å; N309-S311 WeakPolarHBondContact OD1-CB 3.19Å; N309-S311 PolarHBondContact OD1-N 3.07Å; N309-S311 PolarHBondContact OD1-OG 3.43Å; S311-L320 VanDerWaalsContact OG-CD2 3.25Å; S311-L320 WeakPolarHBondContact OG-CD2 3.39Å
312I86.5Confident92.5Very high82 Ų8252.4 Ų52.442%0.42128%0.282SS..SBendtrans-92.8116.7-179.9-56.7179000110N309 L310N309-I312 HydrophobicContact CB-CD1 3.87Å; N309-I312 HydrophobicContact CB-CG1 4.08Å; N309-I312 WeakPolarHBondContact O-CB 3.32Å; N309-I312 PolarHBondContact O-N 2.92Å; L310-I312 PolarHBondContact O-N 2.83Å
313G85Confident92.5Very high47 Ų4752.5 Ų52.549%0.48528%0.283SS..SBendtrans97.5145.1177.400000113.2I315 S316 G317G313-I315 PolarHBondContact O-N 3.35Å; G313-S316 PolarHBondContact O-N 3.25Å; G313-G317 PolarHBondContact O-N 3.5Å
314K90.3Very high92.6Very high203 Ų20351.9 Ų51.988%0.88328%0.283SS*.Hα-helixtrans-62.8-38.3-170.9-65.4-174.8178-179.20113.9A318K314-A318 WeakPolarHBondContact O-CB 3.18Å; K314-A318 PolarHBondContact O-N 2.87Å; K314-A318 VanDerWaalsContact O-N 3.15Å
315I93.3Very high92.6Very high46 Ų4659.6 Ų59.624%0.23631%0.311CS..Hα-helixtrans-71.5-51.6179.6-68.3162.9000110.1I292 G313 G317 A318 I319 P393I292-I315 HydrophobicContact CG2-CG2 4.23Å; G313-I315 PolarHBondContact O-N 3.35Å; I315-G317 VanDerWaalsContact C-N 3.29Å; I315-G317 PolarHBondContact O-N 2.9Å; I315-A318 PolarHBondContact O-N 2.69Å; I315-I319 HydrophobicContact CG2-CD1 4.08Å; I315-I319 WeakPolarHBondContact O-CG1 3.26Å; I315-I319 PolarHBondContact O-N 2.89Å; I315-P393 HydrophobicContact CD1-CB 3.64Å; I315-P393 HydrophobicContact CD1-CG 3.97Å; I315-P393 HydrophobicContact CG1-CB 4.32Å; I315-P393 HydrophobicContact CG2-CB 4.33Å; I315-P393 HydrophobicContact CG2-CG 4.13Å
316S94.4Very high92.8Very high0 Ų060 Ų600%032%0.317CS..Hα-helixtrans-59.5-41.6178.4-82.40000111.6N302 T303 L310 G313 I319 L320N302-S316 VanDerWaalsContact CG-OG 3.29Å; N302-S316 PolarHBondContact ND2-OG 2.86Å; N302-S316 VanDerWaalsContact OD1-CA 3.31Å; N302-S316 WeakPolarHBondContact OD1-CA 3.29Å; N302-S316 PolarHBondContact OD1-N 3.4Å; N302-S316 PolarHBondContact OD1-OG 3.1Å; T303-S316 PolarHBondContact O-OG 3.28Å; L310-S316 CarbonylContact O-C 3.56Å; L310-S316 WeakPolarHBondContact O-CB 3.43Å; G313-S316 PolarHBondContact O-N 3.25Å; S316-I319 PolarHBondContact O-N 2.83Å; S316-L320 WeakPolarHBondContact O-CB 3.37Å; S316-L320 PolarHBondContact O-N 3.4Å
317G94.6Very high93.3Very high13 Ų1355 Ų5513%0.13429%0.292CS..Hα-helixtrans-61.8-47.517700000112.5L310 G313 I315 I319 L320 D321L310-G317 WeakPolarHBondContact O-CA 2.76Å; L310-G317 PolarHBondContact O-N 3.48Å; G313-G317 PolarHBondContact O-N 3.5Å; I315-G317 VanDerWaalsContact C-N 3.29Å; I315-G317 PolarHBondContact O-N 2.9Å; G317-I319 VanDerWaalsContact C-N 3.3Å; G317-I319 PolarHBondContact O-N 3.11Å; G317-L320 WeakPolarHBondContact O-CB 3.41Å; G317-L320 PolarHBondContact O-N 3.48Å; G317-D321 WeakPolarHBondContact O-CB 3.41Å; G317-D321 PolarHBondContact O-N 2.94Å
318A95.4Very high93.7Very high22 Ų2249.5 Ų49.518%0.18227%0.266CS..Hα-helixtrans-61.8-37.4177.800000112.8E293 K314 I315 K322E293-A318 HydrophobicContact CG-CB 4.41Å; K314-A318 WeakPolarHBondContact O-CB 3.18Å; K314-A318 PolarHBondContact O-N 2.87Å; K314-A318 VanDerWaalsContact O-N 3.15Å; I315-A318 PolarHBondContact O-N 2.69Å; A318-K322 WeakPolarHBondContact O-CB 3.37Å; A318-K322 PolarHBondContact O-N 2.88Å
319I97.1Very high93.8Very high0 Ų050.8 Ų50.80%028%0.278CS..Hα-helixtrans-67.1-45174.7-72175.5000110.7I292 I300 N302 I315 S316 G317 K322 A323 I327 L348I292-I319 HydrophobicContact CG2-CD1 4.22Å; I292-I319 HydrophobicContact CG2-CG1 4.09Å; I300-I319 HydrophobicContact CG2-CD1 4.08Å; N302-I319 HydrophobicContact CB-CD1 3.61Å; I315-I319 HydrophobicContact CG2-CD1 4.08Å; I315-I319 WeakPolarHBondContact O-CG1 3.26Å; I315-I319 PolarHBondContact O-N 2.89Å; S316-I319 PolarHBondContact O-N 2.83Å; G317-I319 VanDerWaalsContact C-N 3.3Å; G317-I319 PolarHBondContact O-N 3.11Å; I319-K322 PolarHBondContact O-N 2.81Å; I319-A323 WeakPolarHBondContact O-CB 3.39Å; I319-A323 PolarHBondContact O-N 2.88Å; I319-I327 HydrophobicContact CG2-CD1 4.37Å; I319-L348 HydrophobicContact CG2-CD1 3.98Å
320L97.4Very high94Very high4 Ų450.7 Ų50.72%0.02128%0.276CS..Hα-helixtrans-60.7-47.2176.9177.262.8000111.6L310 S311 S316 G317 K322 A323 G324 Y325 I327 Q328L310-L320 HydrophobicContact CB-CB 4.13Å; L310-L320 HydrophobicContact CB-CD1 4.46Å; L310-L320 HydrophobicContact CB-CD2 4.21Å; S311-L320 VanDerWaalsContact OG-CD2 3.25Å; S311-L320 WeakPolarHBondContact OG-CD2 3.39Å; S316-L320 WeakPolarHBondContact O-CB 3.37Å; S316-L320 PolarHBondContact O-N 3.4Å; G317-L320 WeakPolarHBondContact O-CB 3.41Å; G317-L320 PolarHBondContact O-N 3.48Å; L320-K322 VanDerWaalsContact C-N 3.26Å; L320-K322 PolarHBondContact O-N 3.35Å; L320-A323 PolarHBondContact O-N 3Å; L320-G324 WeakPolarHBondContact O-CA 3.06Å; L320-G324 PolarHBondContact O-N 3.47Å; L320-Y325 HydrophobicContact CD1-CD1 4.24Å; L320-Y325 HydrophobicContact CD2-CE1 4.4Å; L320-I327 HydrophobicContact CD1-CG2 3.71Å; L320-Q328 HydrophobicContact CD1-CB 3.99Å
321D96Very high94Very high129 Ų12950.7 Ų50.769%0.6928%0.276SS*.Hα-helixtrans-59.3-40-179.8-70.8-17.8000111.4G317G317-D321 WeakPolarHBondContact O-CB 3.41Å; G317-D321 PolarHBondContact O-N 2.94Å
322K96.8Very high94.1Very high75 Ų7553.2 Ų53.233%0.32628%0.275SS..Hα-helixtrans-78.4-45.6179.9-174.664.5177-176.70112.7E293 A318 I319 L320 K347 L348E293-K322 HydrophobicContact CB-CB 3.83Å; E293-K322 HydrophobicContact CB-CG 4.14Å; E293-K322 HydrophobicContact CG-CB 4.05Å; E293-K322 HydrophobicContact CG-CG 4.36Å; A318-K322 WeakPolarHBondContact O-CB 3.37Å; A318-K322 PolarHBondContact O-N 2.88Å; I319-K322 PolarHBondContact O-N 2.81Å; L320-K322 VanDerWaalsContact C-N 3.26Å; L320-K322 PolarHBondContact O-N 3.35Å; K322-K347 VanDerWaalsContact O-CB 3.23Å; K322-K347 WeakPolarHBondContact O-CB 3.35Å; K322-L348 HydrophobicContact CB-CD2 3.96Å; K322-L348 HydrophobicContact CG-CD2 3.69Å
323A96Very high94.3Very high2 Ų257.3 Ų57.32%0.01729%0.292CS..Hα-helixtrans-69.1-33.9-17800000112.4I319 L320 I327 Y346 K347 L348I319-A323 WeakPolarHBondContact O-CB 3.39Å; I319-A323 PolarHBondContact O-N 2.88Å; L320-A323 PolarHBondContact O-N 3Å; A323-I327 HydrophobicContact CB-CB 4.19Å; A323-I327 HydrophobicContact CB-CD1 4.03Å; A323-I327 HydrophobicContact CB-CG2 3.9Å; A323-Y346 VanDerWaalsContact O-CB 3.22Å; A323-Y346 WeakPolarHBondContact O-CB 3.45Å; A323-K347 WeakPolarHBondContact O-CB 3.22Å; A323-K347 WeakPolarHBondContact O-CG 3.4Å; A323-K347 PolarHBondContact O-N 2.98Å; A323-L348 HydrophobicContact CB-CD1 3.92Å; A323-L348 HydrophobicContact CB-CG 3.96Å
324G95.1Very high94.5Very high16 Ų1655.9 Ų55.917%0.16528%0.276CS..  trans88.3160.2-170.500000112.7L320 G326 I327L320-G324 WeakPolarHBondContact O-CA 3.06Å; L320-G324 PolarHBondContact O-N 3.47Å; G324-G326 PolarHBondContact O-N 3.16Å; G324-I327 VanDerWaalsContact O-CG2 3.3Å; G324-I327 WeakPolarHBondContact O-CG2 3.2Å; G324-I327 PolarHBondContact O-N 2.87Å
325Y93Very high94.4Very high172 Ų17253.5 Ų53.568%0.67527%0.268SS*.THydrogen-bonded Turntrans-59.1-20.2-170.1-69.9-73.9000116.2L320 I327 Q328 D329L320-Y325 HydrophobicContact CD1-CD1 4.24Å; L320-Y325 HydrophobicContact CD2-CE1 4.4Å; Y325-I327 PolarHBondContact O-N 3.32Å; Y325-I327 VanDerWaalsContact O-N 3.15Å; Y325-Q328 VanDerWaalsContact O-CB 3.27Å; Y325-Q328 WeakPolarHBondContact O-CB 3.5Å; Y325-Q328 PolarHBondContact O-N 2.67Å; Y325-D329 PolarHBondContact O-N 2.91Å
326G94.9Very high94.2Very high25 Ų2554.8 Ų54.826%0.25827%0.272SS..Hα-helixtrans-57-31.4177.600000113.6G324 Q328 D329 E330 Y346G324-G326 PolarHBondContact O-N 3.16Å; G326-Q328 PolarHBondContact O-N 3.29Å; G326-D329 PolarHBondContact O-N 3.49Å; G326-E330 PolarHBondContact O-N 2.93Å; G326-E330 VanDerWaalsContact O-N 3.15Å; G326-Y346 PolarHBondContact O-OH 3.39Å; G326-Y346 VanDerWaalsContact O-OH 3.07Å
327I96.8Very high93.6Very high0 Ų062 Ų620%030%0.303CS..Hα-helixtrans-64.4-30.6175.7-161.1172.9000112.5L310 I319 L320 A323 G324 Y325 M331 T343 Y346 V353L310-I327 HydrophobicContact CD1-CG1 4.28Å; L310-I327 HydrophobicContact CD1-CG2 3.77Å; I319-I327 HydrophobicContact CG2-CD1 4.37Å; L320-I327 HydrophobicContact CD1-CG2 3.71Å; A323-I327 HydrophobicContact CB-CB 4.19Å; A323-I327 HydrophobicContact CB-CD1 4.03Å; A323-I327 HydrophobicContact CB-CG2 3.9Å; G324-I327 VanDerWaalsContact O-CG2 3.3Å; G324-I327 WeakPolarHBondContact O-CG2 3.2Å; G324-I327 PolarHBondContact O-N 2.87Å; Y325-I327 PolarHBondContact O-N 3.32Å; Y325-I327 VanDerWaalsContact O-N 3.15Å; I327-M331 VanDerWaalsContact O-CB 3.27Å; I327-M331 WeakPolarHBondContact O-CB 3.28Å; I327-M331 PolarHBondContact O-N 3.06Å; I327-T343 HydrophobicContact CG1-CG2 4.44Å; I327-T343 WeakPolarHBondContact CG1-OG1 3.44Å; I327-Y346 HydrophobicContact CB-CD2 3.53Å; I327-Y346 HydrophobicContact CB-CE2 3.62Å; I327-Y346 HydrophobicContact CB-CG 4.28Å; I327-Y346 HydrophobicContact CD1-CD2 4.32Å; I327-Y346 HydrophobicContact CG1-CD2 3.86Å; I327-Y346 HydrophobicContact CG1-CE2 3.85Å; I327-V353 HydrophobicContact CD1-CB 4.35Å; I327-V353 HydrophobicContact CD1-CG1 4.44Å; I327-V353 HydrophobicContact CD1-CG2 4.14Å
328Q96.7Very high93.1Very high13 Ų1364 Ų646%0.06132%0.324CS..Hα-helixtrans-71.1-38.3176.9-178.659.276.100111.4R308 L310 L320 Y325 G326 M331 Y332R308-Q328 PolarHBondContact O-NE2 2.9Å; L310-Q328 VanDerWaalsContact CB-OE1 3.27Å; L320-Q328 HydrophobicContact CD1-CB 3.99Å; Y325-Q328 VanDerWaalsContact O-CB 3.27Å; Y325-Q328 WeakPolarHBondContact O-CB 3.5Å; Y325-Q328 PolarHBondContact O-N 2.67Å; G326-Q328 PolarHBondContact O-N 3.29Å; Q328-M331 WeakPolarHBondContact O-CB 3.31Å; Q328-M331 PolarHBondContact O-N 3.05Å; Q328-Y332 HydrophobicContact CG-CD2 4.35Å; Q328-Y332 HydrophobicContact CG-CE2 3.68Å; Q328-Y332 VanDerWaalsContact NE2-CE2 3.31Å; Q328-Y332 WeakPolarHBondContact O-CD2 3.43Å; Q328-Y332 PolarHBondContact O-N 2.94Å
329D93.3Very high92.7Very high97 Ų9765.6 Ų65.652%0.51933%0.328SS..Hα-helixtrans-66-43.6178.1-64.1-29.1000111Y325 G326 M331 Y332 Q333Y325-D329 PolarHBondContact O-N 2.91Å; G326-D329 PolarHBondContact O-N 3.49Å; D329-M331 VanDerWaalsContact C-N 3.35Å; D329-M331 PolarHBondContact O-N 3.37Å; D329-Y332 PolarHBondContact O-N 2.93Å; D329-Q333 PolarHBondContact O-N 3.45Å
330E96.3Very high92.6Very high45 Ų4565.8 Ų65.821%0.2133%0.329CS..Hα-helixtrans-64-39.9174.4-174178176.900111.8G326 Y332 Q333 A334 T343 Q344 Y346G326-E330 PolarHBondContact O-N 2.93Å; G326-E330 VanDerWaalsContact O-N 3.15Å; E330-Y332 PolarHBondContact O-N 3.4Å; E330-Q333 PolarHBondContact O-N 2.91Å; E330-A334 VanDerWaalsContact O-CB 3.25Å; E330-A334 WeakPolarHBondContact O-CB 3.14Å; E330-A334 PolarHBondContact O-N 3.14Å; E330-T343 HydrophobicContact CB-CG2 4.37Å; E330-T343 HydrophobicContact CG-CG2 3.99Å; E330-T343 VanDerWaalsContact OE1-CA 3.23Å; E330-T343 WeakPolarHBondContact OE1-CA 3.47Å; E330-Q344 PolarHBondContact OE1-N 3.03Å; E330-Q344 WeakPolarHBondContact OE2-CB 3.49Å; E330-Q344 PolarHBondContact OE2-N 2.82Å; E330-Q344 VanDerWaalsContact OE2-N 3.1Å; E330-Y346 WeakPolarHBondContact CB-OH 3.36Å; E330-Y346 WeakPolarHBondContact OE2-CE2 3.41Å; E330-Y346 VanDerWaalsContact OE2-CZ 3.31Å; E330-Y346 PolarHBondContact OE2-OH 3.39Å
331M94.3Very high92.6Very high0 Ų065.6 Ų65.60%033%0.328CS..Hα-helixtrans-58.7-34.5178.5-171.765.8179.800113A304 R308 L310 I327 Q328 D329 I341 T343 H355 F357A304-M331 HydrophobicContact CB-CE 3.86Å; R308-M331 HydrophobicContact CB-CE 4.25Å; R308-M331 HydrophobicContact CB-CG 4.11Å; R308-M331 HydrophobicContact CG-CE 4.49Å; R308-M331 WeakPolarHBondContact O-CG 3.29Å; L310-M331 HydrophobicContact CD1-CB 4.3Å; L310-M331 HydrophobicContact CD1-CG 4.4Å; L310-M331 HydrophobicContact CD2-CE 4.34Å; L310-M331 HydrophobicContact CD2-CG 4.2Å; L310-M331 HydrophobicContact CD2-SD 4.48Å; L310-M331 HydrophobicContact CG-CG 4.27Å; I327-M331 VanDerWaalsContact O-CB 3.27Å; I327-M331 WeakPolarHBondContact O-CB 3.28Å; I327-M331 PolarHBondContact O-N 3.06Å; Q328-M331 WeakPolarHBondContact O-CB 3.31Å; Q328-M331 PolarHBondContact O-N 3.05Å; D329-M331 VanDerWaalsContact C-N 3.35Å; D329-M331 PolarHBondContact O-N 3.37Å; M331-I341 HydrophobicContact CE-CB 4.17Å; M331-I341 HydrophobicContact CE-CD1 3.91Å; M331-I341 HydrophobicContact CE-CG2 4.36Å; M331-I341 HydrophobicContact SD-CB 3.99Å; M331-I341 HydrophobicContact SD-CD1 4.12Å; M331-I341 HydrophobicContact SD-CG2 3.54Å; M331-I341 VanDerWaalsContact SD-CG2 3.54Å; M331-T343 HydrophobicContact SD-CG2 4.4Å; M331-H355 HydrophobicContact CE-CB 3.55Å; M331-H355 HydrophobicContact SD-CB 3.89Å; M331-F357 HydrophobicContact CE-CE1 4.08Å; M331-F357 HydrophobicContact CE-CE2 3.86Å; M331-F357 HydrophobicContact CE-CZ 3.25Å
332Y92.3Very high92.6Very high126 Ų12663.5 Ų63.549%0.49431%0.31SS..Hα-helixtrans-70.8-33.3175.8-70.2-49.6000112.9R308 Q328 D329 E330R308-Y332 HydrophobicContact CB-CD1 4.42Å; Q328-Y332 HydrophobicContact CG-CD2 4.35Å; Q328-Y332 HydrophobicContact CG-CE2 3.68Å; Q328-Y332 VanDerWaalsContact NE2-CE2 3.31Å; Q328-Y332 WeakPolarHBondContact O-CD2 3.43Å; Q328-Y332 PolarHBondContact O-N 2.94Å; D329-Y332 PolarHBondContact O-N 2.93Å; E330-Y332 PolarHBondContact O-N 3.4Å
333Q90.9Very high92.6Very high168 Ų16860 Ų6079%0.78530%0.295SS*.Hα-helixtrans-91.1-24.3-176.3-60.5179.120.900112.9D329 E330D329-Q333 PolarHBondContact O-N 3.45Å; E330-Q333 PolarHBondContact O-N 2.91Å
334A90.6Very high92.5Very high17 Ų1765.1 Ų65.114%0.1432%0.319CS..SBendtrans-69.5141.1-172.500000113.2R308 E330 I341R308-A334 PolarHBondContact NH1-O 3.4Å; E330-A334 VanDerWaalsContact O-CB 3.25Å; E330-A334 WeakPolarHBondContact O-CB 3.14Å; E330-A334 PolarHBondContact O-N 3.14Å; A334-I341 HydrophobicContact CB-CG2 3.49Å; A334-I341 VanDerWaalsContact CB-CG2 3.49Å
335Q88Confident92.5Very high154 Ų15465.3 Ų65.372%0.7232%0.317SS*.PPolyproline II helixtrans-77.6128177.8-169.1-178.113.400110.7
336K88Confident92.6Very high73 Ų7361.7 Ų61.732%0.31730%0.303SS..PPolyproline II helixtrans-77.9126.1172.9-174.4174.3175.71770110.1G338 I341 F357K336-G338 WeakPolarHBondContact CE-O 3.45Å; K336-I341 HydrophobicContact CB-CD1 4.06Å; K336-I341 HydrophobicContact CB-CG1 3.71Å; K336-I341 HydrophobicContact CG-CG1 4.09Å; K336-F357 HydrophobicContact CD-CD2 4.14Å; K336-F357 HydrophobicContact CD-CE2 4.19Å
337K82.6Confident92.7Very high151 Ų15167.5 Ų67.566%0.65732%0.321SS*.BIsolated β-bridgetrans-116116.7172.2-70.8-175.5178.6179.60108.7H339 I340K337-H339 PolarHBondContact O-N 3.1Å; K337-I340 PolarHBondContact N-O 2.64Å; K337-I340 PolarHBondContact O-N 3.17Å; K337-I340 VanDerWaalsContact O-N 3.09Å
338G84.4Confident92.6Very high56 Ų5668 Ų6858%0.57732%0.323SS*.THydrogen-bonded Turntrans58.2-122.8-170.800000111K336K336-G338 WeakPolarHBondContact CE-O 3.45Å
339H87Confident92.5Very high54 Ų5474.6 Ų74.625%0.2535%0.349CS..THydrogen-bonded Turntrans-98.414.6178.5-56.7-72.3000113.9K337 T356 F357 S374K337-H339 PolarHBondContact O-N 3.1Å; H339-T356 WeakPolarHBondContact O-CA 3.25Å; H339-F357 WeakPolarHBondContact O-CD2 3.44Å; H339-F357 PolarHBondContact O-N 3.03Å; H339-S374 WeakPolarHBondContact CB-OG 3.45Å
340I94.5Very high92.6Very high4 Ų470.7 Ų70.72%0.02133%0.329CS..EExtended strand (participates in β ladder)trans-130.7137.4-168.9-57.3167.4000111.8K337 R342 F354 H355 T356 D377 C378 I381K337-I340 PolarHBondContact N-O 2.64Å; K337-I340 PolarHBondContact O-N 3.17Å; K337-I340 VanDerWaalsContact O-N 3.09Å; I340-R342 HydrophobicContact CG2-CG 4.38Å; I340-F354 HydrophobicContact CG2-CB 4.06Å; I340-F354 HydrophobicContact CG2-CG 4.35Å; I340-H355 WeakPolarHBondContact CA-O 3.45Å; I340-T356 HydrophobicContact CG1-CG2 4.25Å; I340-D377 HydrophobicContact CD1-CB 3.56Å; I340-C378 HydrophobicContact CD1-CB 4.27Å; I340-C378 VanDerWaalsContact CD1-N 3.33Å; I340-C378 WeakPolarHBondContact CD1-SG 3.39Å; I340-I381 HydrophobicContact CB-CD1 4.49Å; I340-I381 HydrophobicContact CD1-CD1 3.77Å; I340-I381 HydrophobicContact CG2-CD1 4.46Å
341I96Very high92.7Very high1 Ų173.9 Ų73.91%0.00534%0.342CS..EExtended strand (participates in β ladder)trans-111.6144159.6-72.8177.5000108.5M331 A334 K336 T343 H355 F357M331-I341 HydrophobicContact CE-CB 4.17Å; M331-I341 HydrophobicContact CE-CD1 3.91Å; M331-I341 HydrophobicContact CE-CG2 4.36Å; M331-I341 HydrophobicContact SD-CB 3.99Å; M331-I341 HydrophobicContact SD-CD1 4.12Å; M331-I341 HydrophobicContact SD-CG2 3.54Å; M331-I341 VanDerWaalsContact SD-CG2 3.54Å; A334-I341 HydrophobicContact CB-CG2 3.49Å; A334-I341 VanDerWaalsContact CB-CG2 3.49Å; K336-I341 HydrophobicContact CB-CD1 4.06Å; K336-I341 HydrophobicContact CB-CG1 3.71Å; K336-I341 HydrophobicContact CG-CG1 4.09Å; I341-T343 HydrophobicContact CG2-CG2 4.23Å; I341-H355 HydrophobicContact CB-CB 4.24Å; I341-H355 PolarHBondContact N-O 3.23Å; I341-H355 PolarHBondContact O-N 2.97Å; I341-F357 HydrophobicContact CB-CE2 4.02Å; I341-F357 HydrophobicContact CD1-CE2 3.74Å; I341-F357 HydrophobicContact CD1-CZ 3.59Å; I341-F357 HydrophobicContact CG1-CE2 3.7Å; I341-F357 HydrophobicContact CG1-CZ 4.11Å
342R96.1Very high92.8Very high84 Ų8474.7 Ų74.732%0.31735%0.346SS..EExtended strand (participates in β ladder)trans-112.7139177-62.5168.360.7-176-0.6109.2I340 E352 V353 F354I340-R342 HydrophobicContact CG2-CG 4.38Å; R342-E352 WeakPolarHBondContact CB-OE1 3.29Å; R342-E352 IonicContact CZ-OE1 2.71Å; R342-E352 IonicContact CZ-OE2 3.42Å; R342-E352 VanDerWaalsContact NE-CD 3.33Å; R342-E352 IonicContact NE-OE1 2.99Å; R342-E352 PolarHBondContact NE-OE1 3.35Å; R342-E352 IonicContact NE-OE2 2.9Å; R342-E352 PolarHBondContact NE-OE2 2.96Å; R342-E352 IonicContact NH2-OE1 3.59Å; R342-E352 PolarHBondContact NH2-OE1 3.04Å; R342-E352 IonicContact NH2-OE2 2.74Å; R342-E352 PolarHBondContact NH2-OE2 3.26Å; R342-V353 WeakPolarHBondContact CA-O 3.23Å; R342-F354 HydrophobicContact CB-CD1 4.39Å; R342-F354 HydrophobicContact CG-CD1 3.74Å; R342-F354 HydrophobicContact CG-CE1 3.8Å
343T97Very high93.1Very high1 Ų168.7 Ų68.71%0.00632%0.323CS..EExtended strand (participates in β ladder)trans-136.1164.3174.368.50000111.6I327 E330 M331 I341 E352 V353 H355I327-T343 HydrophobicContact CG1-CG2 4.44Å; I327-T343 WeakPolarHBondContact CG1-OG1 3.44Å; E330-T343 HydrophobicContact CB-CG2 4.37Å; E330-T343 HydrophobicContact CG-CG2 3.99Å; E330-T343 VanDerWaalsContact OE1-CA 3.23Å; E330-T343 WeakPolarHBondContact OE1-CA 3.47Å; M331-T343 HydrophobicContact SD-CG2 4.4Å; I341-T343 HydrophobicContact CG2-CG2 4.23Å; T343-E352 VanDerWaalsContact O-CG 3.23Å; T343-E352 WeakPolarHBondContact O-CG 3.42Å; T343-V353 PolarHBondContact N-O 2.94Å; T343-V353 PolarHBondContact O-N 3.29Å; T343-V353 VanDerWaalsContact O-N 3.09Å; T343-H355 PolarHBondContact OG1-NE2 3.14Å
344Q95.7Very high93.4Very high110 Ų11060.7 Ų60.751%0.51429%0.285SS..  trans-59.2157.1166.9-64.1-60.1-37.300111.7E330 Y346E330-Q344 PolarHBondContact OE1-N 3.03Å; E330-Q344 WeakPolarHBondContact OE2-CB 3.49Å; E330-Q344 PolarHBondContact OE2-N 2.82Å; E330-Q344 VanDerWaalsContact OE2-N 3.1Å; Q344-Y346 HydrophobicContact CB-CD2 4.25Å; Q344-Y346 HydrophobicContact CB-CE2 3.87Å; Q344-Y346 VanDerWaalsContact O-CD2 3.23Å; Q344-Y346 WeakPolarHBondContact O-CD2 3.28Å; Q344-Y346 WeakPolarHBondContact O-CE2 3.46Å
345P93.8Very high93.7Very high20 Ų2059.9 Ų59.913%0.1328%0.278CS..  trans-79.4-18.8-177.631.9-36.3000113.9K347 L348 C350 K351P345-K347 PolarHBondContact O-N 3.47Å; P345-K347 VanDerWaalsContact O-N 3.14Å; P345-L348 HydrophobicContact CB-CB 4.44Å; P345-L348 VanDerWaalsContact O-CB 3.26Å; P345-L348 WeakPolarHBondContact O-CB 3.38Å; P345-L348 WeakPolarHBondContact O-CG 3.34Å; P345-L348 PolarHBondContact O-N 2.83Å; P345-C350 WeakPolarHBondContact CB-O 3.45Å; P345-C350 VanDerWaalsContact CG-O 3.28Å; P345-C350 WeakPolarHBondContact CG-O 3.32Å; P345-K351 WeakPolarHBondContact CD-O 3.29Å
346Y95.4Very high94.1Very high96 Ų9652.6 Ų52.638%0.37625%0.245SC..THydrogen-bonded Turntrans49.9-115.4-172.3-62.6-96.9000111.8A323 G326 I327 E330 Q344A323-Y346 VanDerWaalsContact O-CB 3.22Å; A323-Y346 WeakPolarHBondContact O-CB 3.45Å; G326-Y346 PolarHBondContact O-OH 3.39Å; G326-Y346 VanDerWaalsContact O-OH 3.07Å; I327-Y346 HydrophobicContact CB-CD2 3.53Å; I327-Y346 HydrophobicContact CB-CE2 3.62Å; I327-Y346 HydrophobicContact CB-CG 4.28Å; I327-Y346 HydrophobicContact CD1-CD2 4.32Å; I327-Y346 HydrophobicContact CG1-CD2 3.86Å; I327-Y346 HydrophobicContact CG1-CE2 3.85Å; E330-Y346 WeakPolarHBondContact CB-OH 3.36Å; E330-Y346 WeakPolarHBondContact OE2-CE2 3.41Å; E330-Y346 VanDerWaalsContact OE2-CZ 3.31Å; E330-Y346 PolarHBondContact OE2-OH 3.39Å; Q344-Y346 HydrophobicContact CB-CD2 4.25Å; Q344-Y346 HydrophobicContact CB-CE2 3.87Å; Q344-Y346 VanDerWaalsContact O-CD2 3.23Å; Q344-Y346 WeakPolarHBondContact O-CD2 3.28Å; Q344-Y346 WeakPolarHBondContact O-CE2 3.46Å
347K96.1Very high94.3Very high148 Ų14849.3 Ų49.364%0.64323%0.23SC*.THydrogen-bonded Turntrans-90.96.4-179.1-63.5175.5-176176.70113.8K322 A323 P345K322-K347 VanDerWaalsContact O-CB 3.23Å; K322-K347 WeakPolarHBondContact O-CB 3.35Å; A323-K347 WeakPolarHBondContact O-CB 3.22Å; A323-K347 WeakPolarHBondContact O-CG 3.4Å; A323-K347 PolarHBondContact O-N 2.98Å; P345-K347 PolarHBondContact O-N 3.47Å; P345-K347 VanDerWaalsContact O-N 3.14Å
348L95.7Very high94.6Very high9 Ų942.7 Ų42.75%0.04720%0.203CC..SBendtrans-79.6154.2173.6-64.2161.8000111E293 I300 I319 K322 A323 P345 C350 V353E293-L348 HydrophobicContact CB-CD2 4.2Å; I300-L348 HydrophobicContact CD1-CB 4.46Å; I300-L348 HydrophobicContact CD1-CD2 4.49Å; I319-L348 HydrophobicContact CG2-CD1 3.98Å; K322-L348 HydrophobicContact CB-CD2 3.96Å; K322-L348 HydrophobicContact CG-CD2 3.69Å; A323-L348 HydrophobicContact CB-CD1 3.92Å; A323-L348 HydrophobicContact CB-CG 3.96Å; P345-L348 HydrophobicContact CB-CB 4.44Å; P345-L348 VanDerWaalsContact O-CB 3.26Å; P345-L348 WeakPolarHBondContact O-CB 3.38Å; P345-L348 WeakPolarHBondContact O-CG 3.34Å; P345-L348 PolarHBondContact O-N 2.83Å; L348-C350 PolarHBondContact O-N 2.82Å; L348-V353 HydrophobicContact CD1-CG2 3.51Å
349Y93.9Very high94.7Very high153 Ų15342.2 Ų42.260%0.619%0.186SC*.SBendtrans-87.936.5179.9-55.5-67.3000112.9N296N296-Y349 WeakPolarHBondContact CA-O 3.16Å
350C96.6Very high94.7Very high15 Ų1543 Ų4310%0.10119%0.19CC..SBendtrans-121.8174.3176.165.60000111.1T297 I300 P345 L348 E352T297-C350 VanDerWaalsContact O-CA 3.28Å; T297-C350 WeakPolarHBondContact O-CA 3.31Å; T297-C350 WeakPolarHBondContact O-CB 3.47Å; I300-C350 HydrophobicContact CD1-CB 3.86Å; I300-C350 HydrophobicContact CG1-CB 3.81Å; P345-C350 WeakPolarHBondContact CB-O 3.45Å; P345-C350 VanDerWaalsContact CG-O 3.28Å; P345-C350 WeakPolarHBondContact CG-O 3.32Å; L348-C350 PolarHBondContact O-N 2.82Å; C350-E352 PolarHBondContact SG-O 3.05Å
351K97.2Very high94.3Very high112 Ų11245.6 Ų45.649%0.48720%0.201SC..SBendtrans-90.3-28.8174.9-62.8176.5-179.9157.80112.1D298 P345 Y387D298-K351 HydrophobicContact CB-CD 4.15Å; D298-K351 WeakPolarHBondContact O-CA 3.4Å; D298-K351 WeakPolarHBondContact O-CB 3.49Å; D298-K351 PolarHBondContact O-N 3.18Å; D298-K351 WeakPolarHBondContact OD1-CD 3.38Å; D298-K351 WeakPolarHBondContact OD1-CE 3.3Å; D298-K351 IonicContact OD1-NZ 2.72Å; D298-K351 PolarHBondContact OD1-NZ 3.46Å; P345-K351 WeakPolarHBondContact CD-O 3.29Å; K351-Y387 HydrophobicContact CB-CE1 3.78Å; K351-Y387 HydrophobicContact CD-CD1 3.92Å; K351-Y387 HydrophobicContact CD-CE1 3.6Å; K351-Y387 HydrophobicContact CG-CE1 4.34Å
352E97.4Very high93.6Very high17 Ų1750.5 Ų50.58%0.07924%0.242CC..EExtended strand (participates in β ladder)trans-155.4155.6-179.6-154.2169.6-169.900111.8D298 V299 I300 R342 T343 C350 F354 Y387D298-E352 PolarHBondContact O-N 3.28Å; V299-E352 WeakPolarHBondContact CA-O 3.44Å; I300-E352 PolarHBondContact N-O 3.04Å; R342-E352 WeakPolarHBondContact CB-OE1 3.29Å; R342-E352 IonicContact CZ-OE1 2.71Å; R342-E352 IonicContact CZ-OE2 3.42Å; R342-E352 VanDerWaalsContact NE-CD 3.33Å; R342-E352 IonicContact NE-OE1 2.99Å; R342-E352 PolarHBondContact NE-OE1 3.35Å; R342-E352 IonicContact NE-OE2 2.9Å; R342-E352 PolarHBondContact NE-OE2 2.96Å; R342-E352 IonicContact NH2-OE1 3.59Å; R342-E352 PolarHBondContact NH2-OE1 3.04Å; R342-E352 IonicContact NH2-OE2 2.74Å; R342-E352 PolarHBondContact NH2-OE2 3.26Å; T343-E352 VanDerWaalsContact O-CG 3.23Å; T343-E352 WeakPolarHBondContact O-CG 3.42Å; C350-E352 PolarHBondContact SG-O 3.05Å; E352-F354 HydrophobicContact CB-CE1 4.22Å; E352-F354 HydrophobicContact CG-CD1 4.36Å; E352-F354 HydrophobicContact CG-CE1 3.96Å; E352-F354 WeakPolarHBondContact OE2-CE1 3.42Å; E352-Y387 HydrophobicContact CB-CE2 4.34Å; E352-Y387 WeakPolarHBondContact OE2-CE2 3.38Å; E352-Y387 PolarHBondContact OE2-OH 3.21Å
353V97.8Very high92.8Very high0 Ų054.9 Ų54.90%026%0.259CS..EExtended strand (participates in β ladder)trans-116.5128174.4-174.30000110.2I300 N302 I327 R342 T343 L348 H355I300-V353 WeakPolarHBondContact O-CA 3.24Å; N302-V353 HydrophobicContact CB-CG1 4.28Å; I327-V353 HydrophobicContact CD1-CB 4.35Å; I327-V353 HydrophobicContact CD1-CG1 4.44Å; I327-V353 HydrophobicContact CD1-CG2 4.14Å; R342-V353 WeakPolarHBondContact CA-O 3.23Å; T343-V353 PolarHBondContact N-O 2.94Å; T343-V353 PolarHBondContact O-N 3.29Å; T343-V353 VanDerWaalsContact O-N 3.09Å; L348-V353 HydrophobicContact CD1-CG2 3.51Å; V353-H355 WeakPolarHBondContact CG1-NE2 3.39Å
354F98.1Very high91.9Very high0 Ų057.7 Ų57.70%027%0.274CS..EExtended strand (participates in β ladder)trans-104.2114.4176.6-67.5-2.2000110.1V299 I300 V301 N302 I340 R342 E352 C378 I381 A382 I390V299-F354 HydrophobicContact CG1-CB 4.25Å; V299-F354 HydrophobicContact CG1-CD1 3.91Å; V299-F354 HydrophobicContact CG1-CD2 3.55Å; V299-F354 HydrophobicContact CG1-CE1 4.06Å; V299-F354 HydrophobicContact CG1-CE2 3.72Å; V299-F354 HydrophobicContact CG1-CG 3.64Å; V299-F354 HydrophobicContact CG1-CZ 3.96Å; V299-F354 HydrophobicContact CG2-CE1 4.4Å; V299-F354 HydrophobicContact CG2-CE2 4.25Å; V299-F354 HydrophobicContact CG2-CZ 3.98Å; I300-F354 PolarHBondContact O-N 3.19Å; V301-F354 CarbonylContact C-O 3.59Å; V301-F354 WeakPolarHBondContact CA-O 3.36Å; V301-F354 HydrophobicContact CG2-CB 4.35Å; N302-F354 PolarHBondContact N-O 3.26Å; I340-F354 HydrophobicContact CG2-CB 4.06Å; I340-F354 HydrophobicContact CG2-CG 4.35Å; R342-F354 HydrophobicContact CB-CD1 4.39Å; R342-F354 HydrophobicContact CG-CD1 3.74Å; R342-F354 HydrophobicContact CG-CE1 3.8Å; E352-F354 HydrophobicContact CB-CE1 4.22Å; E352-F354 HydrophobicContact CG-CD1 4.36Å; E352-F354 HydrophobicContact CG-CE1 3.96Å; E352-F354 WeakPolarHBondContact OE2-CE1 3.42Å; F354-C378 HydrophobicContact CD2-CB 4.02Å; F354-C378 WeakPolarHBondContact CE2-O 3.18Å; F354-I381 HydrophobicContact CE1-CG2 4.23Å; F354-I381 HydrophobicContact CE2-CB 3.98Å; F354-I381 HydrophobicContact CE2-CG2 3.82Å; F354-I381 HydrophobicContact CZ-CB 4.18Å; F354-I381 HydrophobicContact CZ-CG2 3.5Å; F354-A382 HydrophobicContact CE2-CB 4.14Å; F354-I390 HydrophobicContact CD2-CD1 4.26Å; F354-I390 HydrophobicContact CE2-CD1 4.39Å
355H97.3Very high91.1Very high0 Ų058.3 Ų58.30%029%0.287CS..EExtended strand (participates in β ladder)trans-93.9106179.5-59-98.1000110N302 A304 L310 M331 I340 I341 T343 V353 F357N302-H355 PolarHBondContact ND2-ND1 3.5Å; N302-H355 VanDerWaalsContact ND2-ND1 3.17Å; A304-H355 HydrophobicContact CB-CB 4.17Å; L310-H355 WeakPolarHBondContact CD2-ND1 3.27Å; M331-H355 HydrophobicContact CE-CB 3.55Å; M331-H355 HydrophobicContact SD-CB 3.89Å; I340-H355 WeakPolarHBondContact CA-O 3.45Å; I341-H355 HydrophobicContact CB-CB 4.24Å; I341-H355 PolarHBondContact N-O 3.23Å; I341-H355 PolarHBondContact O-N 2.97Å; T343-H355 PolarHBondContact OG1-NE2 3.14Å; V353-H355 WeakPolarHBondContact CG1-NE2 3.39Å; H355-F357 WeakPolarHBondContact O-CD2 3.18Å; H355-F357 WeakPolarHBondContact O-CE2 3.38Å
356T96Very high90.7Very high1 Ų159.4 Ų59.41%0.00630%0.298CS..EExtended strand (participates in β ladder)trans-88.5142.3178.759.70000111.6V301 N302 A304 H339 I340 C378V301-T356 HydrophobicContact CG1-CG2 3.64Å; N302-T356 PolarHBondContact O-N 3.4Å; N302-T356 PolarHBondContact O-OG1 2.94Å; A304-T356 PolarHBondContact N-O 3.24Å; H339-T356 WeakPolarHBondContact O-CA 3.25Å; I340-T356 HydrophobicContact CG1-CG2 4.25Å; T356-C378 WeakPolarHBondContact CG2-SG 3.07Å
357F91.6Very high90.3Very high4 Ų454.9 Ų54.92%0.01828%0.28CS..  trans-117.290.9-180-65.1-96.6000110.2A304 S305 L306 R308 M331 K336 H339 I341 H355A304-F357 HydrophobicContact CB-CE1 4.24Å; A304-F357 HydrophobicContact CB-CZ 4.4Å; S305-F357 WeakPolarHBondContact O-CD1 3.34Å; S305-F357 WeakPolarHBondContact O-CE1 3.48Å; L306-F357 HydrophobicContact CD2-CB 4.4Å; L306-F357 HydrophobicContact CD2-CD1 4.36Å; R308-F357 HydrophobicContact CG-CE1 3.94Å; R308-F357 HydrophobicContact CG-CZ 3.99Å; M331-F357 HydrophobicContact CE-CE1 4.08Å; M331-F357 HydrophobicContact CE-CE2 3.86Å; M331-F357 HydrophobicContact CE-CZ 3.25Å; K336-F357 HydrophobicContact CD-CD2 4.14Å; K336-F357 HydrophobicContact CD-CE2 4.19Å; H339-F357 WeakPolarHBondContact O-CD2 3.44Å; H339-F357 PolarHBondContact O-N 3.03Å; I341-F357 HydrophobicContact CB-CE2 4.02Å; I341-F357 HydrophobicContact CD1-CE2 3.74Å; I341-F357 HydrophobicContact CD1-CZ 3.59Å; I341-F357 HydrophobicContact CG1-CE2 3.7Å; I341-F357 HydrophobicContact CG1-CZ 4.11Å; H355-F357 WeakPolarHBondContact O-CD2 3.18Å; H355-F357 WeakPolarHBondContact O-CE2 3.38Å
358C89.1Confident90Very high11 Ų1150.5 Ų50.57%0.07426%0.264CS..PPolyproline II helixtrans-92.2158.5177.1-64.70000111.4L400C358-L400 HydrophobicContact CB-CD1 3.66Å; C358-L400 HydrophobicContact CB-CD2 4.38Å
359I87.3Confident89.7Confident46 Ų4655.2 Ų55.224%0.23629%0.286CS..PPolyproline II helixtrans-101.1147.5-179.7-52.2174.2000109.2R363 D364 A367 V370I359-R363 HydrophobicContact CG2-CB 4.49Å; I359-D364 HydrophobicContact CG2-CB 3.87Å; I359-A367 HydrophobicContact CB-CB 4.44Å; I359-V370 HydrophobicContact CD1-CB 4.48Å; I359-V370 HydrophobicContact CD1-CG2 3.85Å; I359-V370 HydrophobicContact CG1-CG1 4.27Å; I359-V370 HydrophobicContact CG1-CG2 4.45Å
360E86.3Confident89.5Confident70 Ų7048.7 Ų48.733%0.32726%0.261SS..PPolyproline II helixtrans-63.2132.1171.9-71.9174.3-149.600111A362 R363 L400E360-A362 VanDerWaalsContact C-N 3.26Å; E360-A362 PolarHBondContact O-N 2.9Å; E360-R363 HydrophobicContact CB-CB 4.32Å; E360-R363 HydrophobicContact CB-CG 3.94Å; E360-R363 VanDerWaalsContact CD-CZ 3.49Å; E360-R363 VanDerWaalsContact CD-NE 3.25Å; E360-R363 VanDerWaalsContact CD-NH2 3.3Å; E360-R363 PolarHBondContact O-N 3.12Å; E360-R363 IonicContact OE1-CZ 3.3Å; E360-R363 VanDerWaalsContact OE1-CZ 3.28Å; E360-R363 IonicContact OE1-NE 3.64Å; E360-R363 IonicContact OE1-NH2 3.42Å; E360-R363 PolarHBondContact OE1-NH2 2.95Å; E360-R363 IonicContact OE2-CZ 3.17Å; E360-R363 VanDerWaalsContact OE2-CZ 3.25Å; E360-R363 IonicContact OE2-NE 2.85Å; E360-R363 PolarHBondContact OE2-NE 3.25Å; E360-R363 IonicContact OE2-NH2 2.69Å; E360-R363 PolarHBondContact OE2-NH2 3.15Å; E360-R363 VanDerWaalsContact OE2-NH2 3.08Å; E360-L400 WeakPolarHBondContact CA-O 3.46Å; E360-L400 HydrophobicContact CG-CD2 4.23Å
361K85.9Confident89.4Confident59 Ų5948 Ų4826%0.25726%0.256SS..THydrogen-bonded Turntrans-56.4-38.5-175.4179.659.71751760113.2R363 A367 D368 L400 F402K361-R363 VanDerWaalsContact C-N 3.28Å; K361-R363 PolarHBondContact O-N 2.92Å; K361-A367 HydrophobicContact CD-CB 4.33Å; K361-D368 WeakPolarHBondContact CD-OD1 3.38Å; K361-D368 WeakPolarHBondContact CE-OD1 3.39Å; K361-D368 IonicContact NZ-OD1 3.17Å; K361-D368 PolarHBondContact NZ-OD1 3.33Å; K361-D368 IonicContact NZ-OD2 3.71Å; K361-D368 PolarHBondContact NZ-OD2 2.88Å; K361-L400 PolarHBondContact N-O 3.44Å; K361-F402 HydrophobicContact CB-CD2 4.25Å; K361-F402 HydrophobicContact CB-CE2 4.24Å; K361-F402 HydrophobicContact CB-CG 4.48Å; K361-F402 HydrophobicContact CB-CZ 4.47Å; K361-F402 HydrophobicContact CD-CD1 4.44Å; K361-F402 HydrophobicContact CD-CE1 4.19Å
362A82.3Confident89.3Confident104 Ų10445.5 Ų45.586%0.8624%0.244SC*.THydrogen-bonded Turntrans-74.1-16.5-17900000113.9E360E360-A362 VanDerWaalsContact C-N 3.26Å; E360-A362 PolarHBondContact O-N 2.9Å
363R77.6Confident89Confident177 Ų17746 Ų4667%0.66825%0.25SC*.THydrogen-bonded Turntrans-91.3-28.5-174-67.4-169-168.6-172.37.8113.7I359 E360 K361I359-R363 HydrophobicContact CG2-CB 4.49Å; E360-R363 HydrophobicContact CB-CB 4.32Å; E360-R363 HydrophobicContact CB-CG 3.94Å; E360-R363 VanDerWaalsContact CD-CZ 3.49Å; E360-R363 VanDerWaalsContact CD-NE 3.25Å; E360-R363 VanDerWaalsContact CD-NH2 3.3Å; E360-R363 PolarHBondContact O-N 3.12Å; E360-R363 IonicContact OE1-CZ 3.3Å; E360-R363 VanDerWaalsContact OE1-CZ 3.28Å; E360-R363 IonicContact OE1-NE 3.64Å; E360-R363 IonicContact OE1-NH2 3.42Å; E360-R363 PolarHBondContact OE1-NH2 2.95Å; E360-R363 IonicContact OE2-CZ 3.17Å; E360-R363 VanDerWaalsContact OE2-CZ 3.25Å; E360-R363 IonicContact OE2-NE 2.85Å; E360-R363 PolarHBondContact OE2-NE 3.25Å; E360-R363 IonicContact OE2-NH2 2.69Å; E360-R363 PolarHBondContact OE2-NH2 3.15Å; E360-R363 VanDerWaalsContact OE2-NH2 3.08Å; K361-R363 VanDerWaalsContact C-N 3.28Å; K361-R363 PolarHBondContact O-N 2.92Å
364D79.6Confident88.9Confident60 Ų6046 Ų4632%0.32125%0.25SC..  trans-149.3125.9-172.9-164.9-36.9000111.4I359 A366 A367I359-D364 HydrophobicContact CG2-CB 3.87Å; D364-A366 PolarHBondContact O-N 3.3Å; D364-A366 VanDerWaalsContact OD1-CB 3.23Å; D364-A366 WeakPolarHBondContact OD1-CB 3.46Å; D364-A366 PolarHBondContact OD1-N 2.72Å; D364-A367 VanDerWaalsContact O-CB 3.24Å; D364-A367 WeakPolarHBondContact O-CB 3.42Å; D364-A367 PolarHBondContact O-N 3.19Å
365P77.6Confident88.8Confident123 Ų12346 Ų4680%0.79925%0.25SC*.THydrogen-bonded Turntrans-59.9-22.6174.925.6-34.9000113.3A367P365-A367 PolarHBondContact O-N 3.03Å
366A85.9Confident88.7Confident43 Ų4346.5 Ų46.536%0.35525%0.253SS..THydrogen-bonded Turntrans-77.2-0.8176.300000114.1D364 D368 Q369 V370D364-A366 PolarHBondContact O-N 3.3Å; D364-A366 VanDerWaalsContact OD1-CB 3.23Å; D364-A366 WeakPolarHBondContact OD1-CB 3.46Å; D364-A366 PolarHBondContact OD1-N 2.72Å; A366-D368 PolarHBondContact O-N 3.3Å; A366-Q369 PolarHBondContact O-N 2.73Å; A366-V370 PolarHBondContact O-N 3.49Å
367A87.3Confident88.6Confident0 Ų048.6 Ų48.60%026%0.264CS..Hα-helixtrans-54.7-37.1-177.600000113.2I359 K361 D364 P365 V370 L371 F402I359-A367 HydrophobicContact CB-CB 4.44Å; K361-A367 HydrophobicContact CD-CB 4.33Å; D364-A367 VanDerWaalsContact O-CB 3.24Å; D364-A367 WeakPolarHBondContact O-CB 3.42Å; D364-A367 PolarHBondContact O-N 3.19Å; P365-A367 PolarHBondContact O-N 3.03Å; A367-V370 PolarHBondContact O-N 3.48Å; A367-L371 PolarHBondContact O-N 3.3Å; A367-F402 HydrophobicContact CB-CZ 3.85Å
368D89.6Confident88.9Confident56 Ų5648.4 Ų48.430%0.29926%0.263SS..Hα-helixtrans-64.9-43.7178.6-62.9-3.6000111.3K361 A366 V370 L371 Y372 F402 I410K361-D368 WeakPolarHBondContact CD-OD1 3.38Å; K361-D368 WeakPolarHBondContact CE-OD1 3.39Å; K361-D368 IonicContact NZ-OD1 3.17Å; K361-D368 PolarHBondContact NZ-OD1 3.33Å; K361-D368 IonicContact NZ-OD2 3.71Å; K361-D368 PolarHBondContact NZ-OD2 2.88Å; A366-D368 PolarHBondContact O-N 3.3Å; D368-V370 VanDerWaalsContact C-N 3.35Å; D368-L371 PolarHBondContact O-N 3.46Å; D368-Y372 WeakPolarHBondContact O-CB 3.32Å; D368-Y372 PolarHBondContact O-N 3.16Å; D368-F402 VanDerWaalsContact OD1-CE1 3.26Å; D368-F402 WeakPolarHBondContact OD1-CE1 3.48Å; D368-I410 HydrophobicContact CB-CD1 3.91Å
369Q88.9Confident89.3Confident109 Ų10947.9 Ų47.951%0.50926%0.259SS..Hα-helixtrans-67.3-37.5178.4-173.159.149.500111.2A366 Y372 S373A366-Q369 PolarHBondContact O-N 2.73Å; Q369-Y372 PolarHBondContact O-N 3.27Å; Q369-S373 PolarHBondContact NE2-OG 3.41Å; Q369-S373 WeakPolarHBondContact O-CB 3.31Å; Q369-S373 PolarHBondContact O-N 3.39Å; Q369-S373 PolarHBondContact O-OG 2.88Å
370V91.4Very high89.6Confident15 Ų1551.5 Ų51.59%0.09127%0.27CS..Hα-helixtrans-67-42.4176.6173.50000111.4I359 A366 A367 D368 S373 S374I359-V370 HydrophobicContact CD1-CB 4.48Å; I359-V370 HydrophobicContact CD1-CG2 3.85Å; I359-V370 HydrophobicContact CG1-CG1 4.27Å; I359-V370 HydrophobicContact CG1-CG2 4.45Å; A366-V370 PolarHBondContact O-N 3.49Å; A367-V370 PolarHBondContact O-N 3.48Å; D368-V370 VanDerWaalsContact C-N 3.35Å; V370-S373 PolarHBondContact O-N 3.3Å; V370-S374 VanDerWaalsContact O-CB 3.3Å; V370-S374 WeakPolarHBondContact O-CB 3.5Å; V370-S374 PolarHBondContact O-N 3Å; V370-S374 PolarHBondContact O-OG 3.47Å
371L94.5Very high90Very high0 Ų050.1 Ų50.10%026%0.264CS..Hα-helixtrans-61.2-47.1174.4175.356.8000111A367 D368 S374 V375 I395 F402 I410 M411A367-L371 PolarHBondContact O-N 3.3Å; D368-L371 PolarHBondContact O-N 3.46Å; L371-S374 PolarHBondContact O-N 2.88Å; L371-V375 HydrophobicContact CD1-CG2 4.35Å; L371-V375 WeakPolarHBondContact O-CG2 3.46Å; L371-V375 PolarHBondContact O-N 2.94Å; L371-I395 HydrophobicContact CD1-CB 3.75Å; L371-I395 HydrophobicContact CD1-CG2 3.31Å; L371-F402 HydrophobicContact CB-CE1 4.48Å; L371-F402 HydrophobicContact CB-CZ 4.23Å; L371-F402 HydrophobicContact CD2-CD1 4.07Å; L371-F402 HydrophobicContact CD2-CE1 3.84Å; L371-F402 HydrophobicContact CD2-CG 4.49Å; L371-F402 HydrophobicContact CD2-CZ 4.09Å; L371-I410 HydrophobicContact CB-CG2 4.1Å; L371-I410 HydrophobicContact CD2-CB 4.12Å; L371-I410 HydrophobicContact CD2-CD1 4.1Å; L371-I410 HydrophobicContact CD2-CG2 3.95Å; L371-I410 HydrophobicContact CG-CB 4.43Å; L371-I410 HydrophobicContact CG-CG2 3.74Å; L371-M411 HydrophobicContact CD1-CG 4.49Å
372Y94.1Very high90.5Very high60 Ų6047.3 Ų47.324%0.23525%0.252CS..Hα-helixtrans-56.5-53176.5178-92.1000111.9D368 Q369 S374 V375 L376 A413 A414 A417D368-Y372 WeakPolarHBondContact O-CB 3.32Å; D368-Y372 PolarHBondContact O-N 3.16Å; Q369-Y372 PolarHBondContact O-N 3.27Å; Y372-S374 VanDerWaalsContact C-N 3.32Å; Y372-S374 PolarHBondContact O-N 3.37Å; Y372-V375 PolarHBondContact O-N 3.22Å; Y372-L376 HydrophobicContact CE1-CD2 3.73Å; Y372-L376 WeakPolarHBondContact O-CB 3.46Å; Y372-L376 PolarHBondContact O-N 2.89Å; Y372-A413 HydrophobicContact CD2-CB 4.32Å; Y372-A413 HydrophobicContact CE2-CB 4.08Å; Y372-A414 HydrophobicContact CD2-CB 3.93Å; Y372-A414 HydrophobicContact CE2-CB 4.01Å; Y372-A414 HydrophobicContact CG-CB 4.5Å; Y372-A417 WeakPolarHBondContact OH-CB 3.25Å
373S91.8Very high91Very high27 Ų2743 Ų4319%0.18922%0.216CC..Hα-helixtrans-62.6-39.2-179.3-62.70000111.6Q369 V370 V375 L376 D377Q369-S373 PolarHBondContact NE2-OG 3.41Å; Q369-S373 WeakPolarHBondContact O-CB 3.31Å; Q369-S373 PolarHBondContact O-N 3.39Å; Q369-S373 PolarHBondContact O-OG 2.88Å; V370-S373 PolarHBondContact O-N 3.3Å; S373-V375 PolarHBondContact O-N 3.44Å; S373-L376 PolarHBondContact O-N 3.44Å; S373-D377 VanDerWaalsContact O-CB 3.3Å; S373-D377 WeakPolarHBondContact O-CB 3.35Å; S373-D377 VanDerWaalsContact O-CG 3.23Å; S373-D377 PolarHBondContact O-N 2.94Å
374S94.1Very high91.7Very high0 Ų037.7 Ų37.70%021%0.211CC..Hα-helixtrans-60.9-45.3178.5-62.30000112.4H339 V370 L371 Y372 C378H339-S374 WeakPolarHBondContact CB-OG 3.45Å; V370-S374 VanDerWaalsContact O-CB 3.3Å; V370-S374 WeakPolarHBondContact O-CB 3.5Å; V370-S374 PolarHBondContact O-N 3Å; V370-S374 PolarHBondContact O-OG 3.47Å; L371-S374 PolarHBondContact O-N 2.88Å; Y372-S374 VanDerWaalsContact C-N 3.32Å; Y372-S374 PolarHBondContact O-N 3.37Å; S374-C378 WeakPolarHBondContact O-CB 3.45Å; S374-C378 PolarHBondContact O-N 2.84Å; S374-C378 VanDerWaalsContact O-N 3.12Å; S374-C378 PolarHBondContact O-SG 3.28Å; S374-C378 VanDerWaalsContact O-SG 3.33Å
375V96.9Very high92.4Very high0 Ų039 Ų390%022%0.215CC..Hα-helixtrans-67.3-43.2177.71770000110.9L371 Y372 S373 C378 L379 F392 I395 M411 A414 V415L371-V375 HydrophobicContact CD1-CG2 4.35Å; L371-V375 WeakPolarHBondContact O-CG2 3.46Å; L371-V375 PolarHBondContact O-N 2.94Å; Y372-V375 PolarHBondContact O-N 3.22Å; S373-V375 PolarHBondContact O-N 3.44Å; V375-C378 PolarHBondContact O-N 2.81Å; V375-L379 HydrophobicContact CG1-CD1 4.22Å; V375-L379 WeakPolarHBondContact O-CG 3.23Å; V375-L379 PolarHBondContact O-N 2.91Å; V375-F392 HydrophobicContact CB-CE1 4.27Å; V375-F392 HydrophobicContact CG1-CD1 4.45Å; V375-F392 HydrophobicContact CG1-CE1 3.92Å; V375-F392 HydrophobicContact CG1-CZ 3.98Å; V375-F392 HydrophobicContact CG2-CD1 4.44Å; V375-F392 HydrophobicContact CG2-CE1 4.29Å; V375-I395 HydrophobicContact CG2-CD1 4.35Å; V375-M411 HydrophobicContact CG2-CB 4.48Å; V375-M411 HydrophobicContact CG2-CG 4.01Å; V375-A414 HydrophobicContact CB-CB 3.69Å; V375-A414 HydrophobicContact CG1-CB 3.62Å; V375-V415 HydrophobicContact CG1-CG2 4.36Å
376L94.9Very high93.1Very high12 Ų1240.2 Ų40.26%0.06321%0.21CC..Hα-helixtrans-64.7-42.2-179.2-177.257.2000112.2Y372 S373 L379 R380 A414 F418Y372-L376 HydrophobicContact CE1-CD2 3.73Å; Y372-L376 WeakPolarHBondContact O-CB 3.46Å; Y372-L376 PolarHBondContact O-N 2.89Å; S373-L376 PolarHBondContact O-N 3.44Å; L376-L379 PolarHBondContact O-N 3.45Å; L376-R380 WeakPolarHBondContact O-CG 3.41Å; L376-R380 PolarHBondContact O-N 3.16Å; L376-A414 HydrophobicContact CB-CB 4.18Å; L376-F418 HydrophobicContact CD1-CB 3.84Å
377D95Very high93.6Very high44 Ų4439.9 Ų39.924%0.23520%0.199CC..Hα-helixtrans-69.7-38179.1-70.6-18.5000111.4I340 S373 L379 R380 I381I340-D377 HydrophobicContact CD1-CB 3.56Å; S373-D377 VanDerWaalsContact O-CB 3.3Å; S373-D377 WeakPolarHBondContact O-CB 3.35Å; S373-D377 VanDerWaalsContact O-CG 3.23Å; S373-D377 PolarHBondContact O-N 2.94Å; D377-L379 VanDerWaalsContact C-N 3.3Å; D377-L379 PolarHBondContact O-N 3.28Å; D377-R380 PolarHBondContact O-N 2.78Å; D377-R380 IonicContact OD1-NH1 3.22Å; D377-R380 PolarHBondContact OD1-NH1 2.98Å; D377-I381 WeakPolarHBondContact O-CB 3.25Å; D377-I381 WeakPolarHBondContact O-CG1 3.48Å; D377-I381 PolarHBondContact O-N 3.48Å
378C97.3Very high93.9Very high0 Ų044.4 Ų44.40%022%0.224CC..Hα-helixtrans-55.3-46.8171.2-80.40000111.4V301 I340 F354 T356 S374 V375 A382 I390 F392V301-C378 HydrophobicContact CG2-CB 4.42Å; I340-C378 HydrophobicContact CD1-CB 4.27Å; I340-C378 VanDerWaalsContact CD1-N 3.33Å; I340-C378 WeakPolarHBondContact CD1-SG 3.39Å; F354-C378 HydrophobicContact CD2-CB 4.02Å; F354-C378 WeakPolarHBondContact CE2-O 3.18Å; T356-C378 WeakPolarHBondContact CG2-SG 3.07Å; S374-C378 WeakPolarHBondContact O-CB 3.45Å; S374-C378 PolarHBondContact O-N 2.84Å; S374-C378 VanDerWaalsContact O-N 3.12Å; S374-C378 PolarHBondContact O-SG 3.28Å; S374-C378 VanDerWaalsContact O-SG 3.33Å; V375-C378 PolarHBondContact O-N 2.81Å; C378-A382 WeakPolarHBondContact O-CB 3.38Å; C378-A382 PolarHBondContact O-N 3.04Å; C378-I390 HydrophobicContact CB-CD1 4.03Å; C378-F392 HydrophobicContact CB-CE1 3.67Å; C378-F392 HydrophobicContact CB-CZ 3.64Å
379L96.7Very high94.3Very high0 Ų042.6 Ų42.60%022%0.216CC..Hα-helixtrans-64.9-42.9178.9-69.2162.7000112.1V375 L376 D377 A382 A383 I390 F392 V415 F418 V428V375-L379 HydrophobicContact CG1-CD1 4.22Å; V375-L379 WeakPolarHBondContact O-CG 3.23Å; V375-L379 PolarHBondContact O-N 2.91Å; L376-L379 PolarHBondContact O-N 3.45Å; D377-L379 VanDerWaalsContact C-N 3.3Å; D377-L379 PolarHBondContact O-N 3.28Å; L379-A382 PolarHBondContact O-N 3.18Å; L379-A383 VanDerWaalsContact O-CB 3.32Å; L379-A383 WeakPolarHBondContact O-CB 3.19Å; L379-A383 PolarHBondContact O-N 3Å; L379-I390 HydrophobicContact CD2-CG2 3.78Å; L379-F392 HydrophobicContact CD2-CE2 4.08Å; L379-F392 HydrophobicContact CD2-CZ 4.35Å; L379-F392 HydrophobicContact CG-CE2 4.29Å; L379-F392 HydrophobicContact CG-CZ 4.09Å; L379-V415 HydrophobicContact CD1-CB 4.4Å; L379-V415 HydrophobicContact CD1-CG2 3.99Å; L379-F418 HydrophobicContact CB-CB 4.2Å; L379-F418 HydrophobicContact CB-CD1 3.97Å; L379-F418 HydrophobicContact CB-CD2 3.62Å; L379-F418 HydrophobicContact CB-CE1 4.25Å; L379-F418 HydrophobicContact CB-CE2 3.93Å; L379-F418 HydrophobicContact CB-CG 3.65Å; L379-F418 HydrophobicContact CB-CZ 4.23Å; L379-F418 HydrophobicContact CD1-CB 3.79Å; L379-F418 HydrophobicContact CD1-CD1 4.13Å; L379-F418 HydrophobicContact CD1-CG 3.98Å; L379-F418 HydrophobicContact CD2-CD1 4.16Å; L379-F418 HydrophobicContact CD2-CE1 4.31Å; L379-F418 HydrophobicContact CG-CD1 4.32Å; L379-F418 HydrophobicContact CG-CG 4.3Å; L379-F418 WeakPolarHBondContact O-CE2 3.41Å; L379-V428 HydrophobicContact CD2-CG2 3.67Å
380R94.6Very high94.8Very high122 Ų12237.4 Ų37.446%0.4619%0.191SC..Hα-helixtrans-64.2-43.2177.9-74.6171.1172.7165.2-3.8112.5L376 D377 A383 A384 F418L376-R380 WeakPolarHBondContact O-CG 3.41Å; L376-R380 PolarHBondContact O-N 3.16Å; D377-R380 PolarHBondContact O-N 2.78Å; D377-R380 IonicContact OD1-NH1 3.22Å; D377-R380 PolarHBondContact OD1-NH1 2.98Å; R380-A383 PolarHBondContact O-N 3.08Å; R380-A384 WeakPolarHBondContact O-CB 3.43Å; R380-A384 PolarHBondContact O-N 2.69Å; R380-F418 HydrophobicContact CG-CD2 4.38Å
381I94.7Very high95.1Very high41 Ų4136.7 Ų36.721%0.2119%0.187CC..Hα-helixtrans-65-46177.1-66.1167000109.4I340 F354 D377 A383 A384 Q385I340-I381 HydrophobicContact CB-CD1 4.49Å; I340-I381 HydrophobicContact CD1-CD1 3.77Å; I340-I381 HydrophobicContact CG2-CD1 4.46Å; F354-I381 HydrophobicContact CE1-CG2 4.23Å; F354-I381 HydrophobicContact CE2-CB 3.98Å; F354-I381 HydrophobicContact CE2-CG2 3.82Å; F354-I381 HydrophobicContact CZ-CB 4.18Å; F354-I381 HydrophobicContact CZ-CG2 3.5Å; D377-I381 WeakPolarHBondContact O-CB 3.25Å; D377-I381 WeakPolarHBondContact O-CG1 3.48Å; D377-I381 PolarHBondContact O-N 3.48Å; I381-A383 VanDerWaalsContact C-N 3.31Å; I381-A383 PolarHBondContact O-N 3.38Å; I381-A384 PolarHBondContact O-N 2.92Å; I381-Q385 HydrophobicContact CG2-CG 4.49Å; I381-Q385 WeakPolarHBondContact O-CG 3.38Å; I381-Q385 PolarHBondContact O-N 3.11Å
382A95.6Very high95.2Very high0 Ų036.7 Ų36.70%019%0.187CC..Hα-helixtrans-59.4-43.6178.400000112.2V299 F354 C378 L379 Q385 H386 Y387 I390 M426V299-A382 HydrophobicContact CG2-CB 4.32Å; F354-A382 HydrophobicContact CE2-CB 4.14Å; C378-A382 WeakPolarHBondContact O-CB 3.38Å; C378-A382 PolarHBondContact O-N 3.04Å; L379-A382 PolarHBondContact O-N 3.18Å; A382-Q385 CarbonylContact O-C 3.56Å; A382-Q385 PolarHBondContact O-N 3.33Å; A382-H386 PolarHBondContact O-N 2.95Å; A382-Y387 HydrophobicContact CB-CD2 4.34Å; A382-Y387 PolarHBondContact O-N 3.26Å; A382-I390 HydrophobicContact CB-CD1 4.14Å; A382-M426 HydrophobicContact CB-CE 4.24Å
383A93.4Very high95.3Very high13 Ų1334 Ų3411%0.10718%0.177CC..Hα-helixtrans-60.4-45.8173.500000113.2L379 R380 I381 Q385 H386 F418 Y422 M426L379-A383 VanDerWaalsContact O-CB 3.32Å; L379-A383 WeakPolarHBondContact O-CB 3.19Å; L379-A383 PolarHBondContact O-N 3Å; R380-A383 PolarHBondContact O-N 3.08Å; I381-A383 VanDerWaalsContact C-N 3.31Å; I381-A383 PolarHBondContact O-N 3.38Å; A383-Q385 PolarHBondContact O-N 2.83Å; A383-H386 PolarHBondContact O-N 3.38Å; A383-F418 HydrophobicContact CB-CE2 3.86Å; A383-F418 HydrophobicContact CB-CZ 3.87Å; A383-Y422 HydrophobicContact CB-CD2 3.91Å; A383-Y422 HydrophobicContact CB-CE2 3.35Å; A383-M426 HydrophobicContact CB-CE 4.32Å
384A92.6Very high95.3Very high67 Ų6733.3 Ų33.355%0.55417%0.172SC*.Hα-helixtrans-66.3-19.117900000113.2R380 I381R380-A384 WeakPolarHBondContact O-CB 3.43Å; R380-A384 PolarHBondContact O-N 2.69Å; I381-A384 PolarHBondContact O-N 2.92Å
385Q93.1Very high95Very high88 Ų8833.3 Ų33.341%0.41117%0.172SC..THydrogen-bonded Turntrans-98.57174.2-59.9-63.7-89.300112.7I381 A382 A383 Y387I381-Q385 HydrophobicContact CG2-CG 4.49Å; I381-Q385 WeakPolarHBondContact O-CG 3.38Å; I381-Q385 PolarHBondContact O-N 3.11Å; A382-Q385 CarbonylContact O-C 3.56Å; A382-Q385 PolarHBondContact O-N 3.33Å; A383-Q385 PolarHBondContact O-N 2.83Å; Q385-Y387 HydrophobicContact CB-CD2 3.75Å; Q385-Y387 HydrophobicContact CB-CE2 3.61Å; Q385-Y387 HydrophobicContact CB-CG 4.45Å; Q385-Y387 HydrophobicContact CG-CE2 4.24Å; Q385-Y387 PolarHBondContact O-N 3.21Å
386H93.3Very high94.4Very high148 Ų14833.5 Ų33.569%0.68518%0.175SC*.THydrogen-bonded Turntrans57.931.2-178.5-52.9-70.8000114.2A382 A383A382-H386 PolarHBondContact O-N 2.95Å; A383-H386 PolarHBondContact O-N 3.38Å
387Y96.6Very high94Very high35 Ų3534.6 Ų34.614%0.13718%0.182CC..  trans-74.2146.1167.8-64.8-47.4000110.5D298 V299 K351 E352 A382 Q385 M426D298-Y387 HydrophobicContact CB-CD1 3.65Å; D298-Y387 HydrophobicContact CB-CE1 4.48Å; D298-Y387 HydrophobicContact CB-CG 3.88Å; V299-Y387 HydrophobicContact CG2-CD2 3.31Å; V299-Y387 HydrophobicContact CG2-CE2 3.75Å; V299-Y387 HydrophobicContact CG2-CG 3.87Å; K351-Y387 HydrophobicContact CB-CE1 3.78Å; K351-Y387 HydrophobicContact CD-CD1 3.92Å; K351-Y387 HydrophobicContact CD-CE1 3.6Å; K351-Y387 HydrophobicContact CG-CE1 4.34Å; E352-Y387 HydrophobicContact CB-CE2 4.34Å; E352-Y387 WeakPolarHBondContact OE2-CE2 3.38Å; E352-Y387 PolarHBondContact OE2-OH 3.21Å; A382-Y387 HydrophobicContact CB-CD2 4.34Å; A382-Y387 PolarHBondContact O-N 3.26Å; Q385-Y387 HydrophobicContact CB-CD2 3.75Å; Q385-Y387 HydrophobicContact CB-CE2 3.61Å; Q385-Y387 HydrophobicContact CB-CG 4.45Å; Q385-Y387 HydrophobicContact CG-CE2 4.24Å; Q385-Y387 PolarHBondContact O-N 3.21Å; Y387-M426 WeakPolarHBondContact O-CE 3.46Å
388N93.4Very high93.5Very high95 Ų9535.2 Ų35.251%0.50820%0.199SC..  trans-105.6-12.1-176.6-64.3-50.6000112.3D298 M426 D427D298-N388 WeakPolarHBondContact OD2-CA 3.19Å; D298-N388 PolarHBondContact OD2-N 2.96Å; N388-M426 VanDerWaalsContact C-SD 3.58Å; N388-D427 PolarHBondContact O-N 2.83Å
389S97.5Very high92.8Very high19 Ų1940 Ų4013%0.13324%0.238CC..EExtended strand (participates in β ladder)trans-146.4141.9180590000114.2T297 D298 V299 D427T297-S389 WeakPolarHBondContact CA-OG 3.45Å; D298-S389 WeakPolarHBondContact CB-O 3.31Å; D298-S389 PolarHBondContact N-O 2.98Å; D298-S389 PolarHBondContact N-OG 3.39Å; D298-S389 PolarHBondContact OD2-N 2.83Å; D298-S389 PolarHBondContact OD2-OG 3.42Å; V299-S389 PolarHBondContact N-O 2.87Å; S389-D427 CarbonylContact C-O 3.58Å; S389-D427 WeakPolarHBondContact CA-O 3.17Å
390I98.3Very high92.2Very high0 Ų041.5 Ų41.50%025%0.246CC..EExtended strand (participates in β ladder)trans-143.7136.6179.7-178.1164.7000110.8V299 V301 F354 C378 L379 A382 F392 M426 D427 V428 H429V299-I390 HydrophobicContact CB-CB 4.11Å; V299-I390 HydrophobicContact CB-CD1 4.08Å; V299-I390 HydrophobicContact CB-CG1 3.83Å; V299-I390 HydrophobicContact CG1-CD1 3.78Å; V299-I390 HydrophobicContact CG1-CG1 3.87Å; V299-I390 WeakPolarHBondContact O-CA 3.49Å; V301-I390 HydrophobicContact CG2-CD1 3.7Å; V301-I390 HydrophobicContact CG2-CG1 3.76Å; F354-I390 HydrophobicContact CD2-CD1 4.26Å; F354-I390 HydrophobicContact CE2-CD1 4.39Å; C378-I390 HydrophobicContact CB-CD1 4.03Å; L379-I390 HydrophobicContact CD2-CG2 3.78Å; A382-I390 HydrophobicContact CB-CD1 4.14Å; I390-F392 HydrophobicContact CD1-CE2 3.89Å; I390-F392 HydrophobicContact CD1-CZ 3.76Å; I390-F392 HydrophobicContact CG1-CD2 4.37Å; I390-F392 HydrophobicContact CG1-CE2 3.81Å; I390-F392 HydrophobicContact CG1-CZ 4.17Å; I390-F392 HydrophobicContact CG2-CE2 3.98Å; I390-M426 HydrophobicContact CG2-CG 4.44Å; I390-M426 HydrophobicContact CG2-SD 4.21Å; I390-D427 PolarHBondContact N-O 3.34Å; I390-V428 HydrophobicContact CG2-CB 4.47Å; I390-V428 HydrophobicContact CG2-CG1 4.41Å; I390-V428 HydrophobicContact CG2-CG2 3.9Å; I390-V428 CarbonylContact O-C 3.33Å; I390-V428 WeakPolarHBondContact O-CA 3.36Å; I390-H429 PolarHBondContact O-N 3.42Å
391T98.1Very high91.7Very high0 Ų038.3 Ų38.30%025%0.251CS..EExtended strand (participates in β ladder)trans-113.7130.9178-58.50000111.9I292 Q295 T297 V299 V301 H429 V431I292-T391 HydrophobicContact CD1-CG2 3.41Å; I292-T391 VanDerWaalsContact CD1-CG2 3.41Å; Q295-T391 HydrophobicContact CG-CG2 4.17Å; T297-T391 WeakPolarHBondContact CB-OG1 3.38Å; T297-T391 WeakPolarHBondContact CG2-OG1 3.42Å; T297-T391 WeakPolarHBondContact OG1-CB 3.39Å; T297-T391 PolarHBondContact OG1-N 2.91Å; T297-T391 PolarHBondContact OG1-OG1 3.01Å; V299-T391 PolarHBondContact O-N 2.98Å; V301-T391 WeakPolarHBondContact CB-O 3.27Å; V301-T391 WeakPolarHBondContact CG2-O 3.24Å; V301-T391 PolarHBondContact N-O 3.12Å; T391-H429 CarbonylContact C-O 3.52Å; T391-H429 WeakPolarHBondContact CA-O 3.47Å; T391-H429 HydrophobicContact CG2-CB 3.94Å; T391-V431 HydrophobicContact CG2-CB 3.84Å; T391-V431 HydrophobicContact CG2-CG2 3.34Å
392F98.1Very high91.4Very high0 Ų036.8 Ų36.80%024%0.243CC..EExtended strand (participates in β ladder)trans-110.1143.2170.6-60.6-98.8000111.5V301 V375 C378 L379 I390 I395 M411 V428 H429 F430 V431V301-F392 HydrophobicContact CB-CD1 3.78Å; V301-F392 HydrophobicContact CB-CE1 4.15Å; V301-F392 HydrophobicContact CB-CG 4.29Å; V301-F392 HydrophobicContact CG1-CD1 3.75Å; V301-F392 HydrophobicContact CG1-CE1 3.99Å; V301-F392 HydrophobicContact CG2-CD1 3.69Å; V301-F392 HydrophobicContact CG2-CE1 3.62Å; V301-F392 HydrophobicContact CG2-CE2 4.45Å; V301-F392 HydrophobicContact CG2-CG 4.14Å; V301-F392 HydrophobicContact CG2-CZ 4.02Å; V375-F392 HydrophobicContact CB-CE1 4.27Å; V375-F392 HydrophobicContact CG1-CD1 4.45Å; V375-F392 HydrophobicContact CG1-CE1 3.92Å; V375-F392 HydrophobicContact CG1-CZ 3.98Å; V375-F392 HydrophobicContact CG2-CD1 4.44Å; V375-F392 HydrophobicContact CG2-CE1 4.29Å; C378-F392 HydrophobicContact CB-CE1 3.67Å; C378-F392 HydrophobicContact CB-CZ 3.64Å; L379-F392 HydrophobicContact CD2-CE2 4.08Å; L379-F392 HydrophobicContact CD2-CZ 4.35Å; L379-F392 HydrophobicContact CG-CE2 4.29Å; L379-F392 HydrophobicContact CG-CZ 4.09Å; I390-F392 HydrophobicContact CD1-CE2 3.89Å; I390-F392 HydrophobicContact CD1-CZ 3.76Å; I390-F392 HydrophobicContact CG1-CD2 4.37Å; I390-F392 HydrophobicContact CG1-CE2 3.81Å; I390-F392 HydrophobicContact CG1-CZ 4.17Å; I390-F392 HydrophobicContact CG2-CE2 3.98Å; F392-I395 HydrophobicContact CD1-CD1 3.98Å; F392-M411 HydrophobicContact CB-CE 3.61Å; F392-M411 HydrophobicContact CD1-CE 4.43Å; F392-M411 HydrophobicContact CG-CE 4.21Å; F392-V428 HydrophobicContact CD2-CG1 3.97Å; F392-V428 HydrophobicContact CE2-CG1 4.05Å; F392-H429 PolarHBondContact N-O 3.43Å; F392-F430 HydrophobicContact CB-CD1 3.87Å; F392-F430 HydrophobicContact CB-CE1 4Å; F392-F430 HydrophobicContact CD2-CD1 4.38Å; F392-F430 HydrophobicContact CD2-CE1 4.04Å; F392-F430 HydrophobicContact CG-CD1 4.49Å; F392-F430 HydrophobicContact CG-CE1 4.22Å; F392-F430 WeakPolarHBondContact O-CA 3.42Å; F392-V431 PolarHBondContact O-N 3.02Å
393P96.1Very high91.1Very high4 Ų439.3 Ų39.33%0.02626%0.261CS..EExtended strand (participates in β ladder)trans-77.2176.4162.234.9-34.5000110I292 V301 T303 I315 I395 M411I292-P393 HydrophobicContact CD1-CB 4.35Å; I292-P393 HydrophobicContact CG1-CB 4.47Å; V301-P393 WeakPolarHBondContact O-CD 3.37Å; T303-P393 HydrophobicContact CG2-CG 4.14Å; I315-P393 HydrophobicContact CD1-CB 3.64Å; I315-P393 HydrophobicContact CD1-CG 3.97Å; I315-P393 HydrophobicContact CG1-CB 4.32Å; I315-P393 HydrophobicContact CG2-CB 4.33Å; I315-P393 HydrophobicContact CG2-CG 4.13Å; P393-I395 VanDerWaalsContact C-N 3.28Å; P393-I395 HydrophobicContact CG-CG1 3.99Å; P393-I395 PolarHBondContact O-N 2.83Å; P393-M411 WeakPolarHBondContact O-CE 3.26Å
394A90.1Very high90.9Very high11 Ų1141.8 Ų41.89%0.09127%0.269CS..  trans-71.481.9168.300000111.4G396 T397 I432 T439A394-G396 PolarHBondContact O-N 2.76Å; A394-T397 HydrophobicContact CB-CG2 3.92Å; A394-T397 WeakPolarHBondContact CB-OG1 3.34Å; A394-T397 PolarHBondContact O-N 2.83Å; A394-T397 PolarHBondContact O-OG1 2.96Å; A394-T397 VanDerWaalsContact O-OG1 3.11Å; A394-I432 HydrophobicContact CB-CD1 3.61Å; A394-T439 HydrophobicContact CB-CG2 3.54Å
395I89.4Confident90.3Very high0 Ų040.8 Ų40.80%026%0.261CS..THydrogen-bonded Turntrans-66.2122.1-177-54.1-176000109.5V301 T303 L371 V375 F392 P393 L400 S407 M411V301-I395 HydrophobicContact CG1-CD1 4.2Å; T303-I395 HydrophobicContact CG2-CB 4Å; T303-I395 HydrophobicContact CG2-CD1 4.11Å; T303-I395 HydrophobicContact CG2-CG1 3.59Å; T303-I395 HydrophobicContact CG2-CG2 3.66Å; L371-I395 HydrophobicContact CD1-CB 3.75Å; L371-I395 HydrophobicContact CD1-CG2 3.31Å; V375-I395 HydrophobicContact CG2-CD1 4.35Å; F392-I395 HydrophobicContact CD1-CD1 3.98Å; P393-I395 VanDerWaalsContact C-N 3.28Å; P393-I395 HydrophobicContact CG-CG1 3.99Å; P393-I395 PolarHBondContact O-N 2.83Å; I395-L400 HydrophobicContact CG2-CD1 4.43Å; I395-S407 WeakPolarHBondContact O-CB 3.24Å; I395-S407 PolarHBondContact O-OG 3.15Å; I395-M411 HydrophobicContact CB-CE 4.43Å; I395-M411 HydrophobicContact CB-SD 4.1Å; I395-M411 HydrophobicContact CD1-CE 4.45Å; I395-M411 HydrophobicContact CG1-CE 4.1Å; I395-M411 HydrophobicContact CG1-SD 4.42Å
396G84Confident90.1Very high5 Ų540.4 Ų40.45%0.05226%0.259CS..THydrogen-bonded Turntrans109.4-24.9175.500000114.6A394 G398 F402A394-G396 PolarHBondContact O-N 2.76Å; G396-G398 PolarHBondContact O-N 2.85Å; G396-F402 WeakPolarHBondContact O-CB 3.36Å; G396-F402 PolarHBondContact O-N 2.58Å; G396-F402 VanDerWaalsContact O-N 3.09Å
397T86Confident90Very high34 Ų3433.4 Ų33.421%0.20923%0.227CC..SBendtrans-79.31.4-168.864.40000115.3A394 K404 S407 T439A394-T397 HydrophobicContact CB-CG2 3.92Å; A394-T397 WeakPolarHBondContact CB-OG1 3.34Å; A394-T397 PolarHBondContact O-N 2.83Å; A394-T397 PolarHBondContact O-OG1 2.96Å; A394-T397 VanDerWaalsContact O-OG1 3.11Å; T397-K404 HydrophobicContact CG2-CG 4.32Å; T397-S407 WeakPolarHBondContact CG2-OG 3.48Å; T397-T439 HydrophobicContact CG2-CG2 4.08Å
398G84.3Confident89.5Confident57 Ų5731.8 Ų31.859%0.58822%0.221SC*.SBendtrans-111.9-125176.600000111.8G396 L400 G401G396-G398 PolarHBondContact O-N 2.85Å; G398-L400 PolarHBondContact O-N 2.82Å; G398-G401 PolarHBondContact O-N 3.37Å; G398-G401 VanDerWaalsContact O-N 3.12Å
399A82.1Confident89Confident100 Ų10029.9 Ų29.983%0.82622%0.215SC*.THydrogen-bonded Turntrans-61.3-16.2-174.700000115.1G401A399-G401 VanDerWaalsContact C-N 3.28Å; A399-G401 PolarHBondContact O-N 2.77Å
400L84.1Confident88.6Confident33 Ų3330.1 Ų30.117%0.17321%0.214CC..THydrogen-bonded Turntrans-78.1-11178.4-66.4171.7000113.3C358 E360 K361 I395 G398 F402C358-L400 HydrophobicContact CB-CD1 3.66Å; C358-L400 HydrophobicContact CB-CD2 4.38Å; E360-L400 WeakPolarHBondContact CA-O 3.46Å; E360-L400 HydrophobicContact CG-CD2 4.23Å; K361-L400 PolarHBondContact N-O 3.44Å; I395-L400 HydrophobicContact CG2-CD1 4.43Å; G398-L400 PolarHBondContact O-N 2.82Å; L400-F402 HydrophobicContact CB-CD2 3.91Å; L400-F402 HydrophobicContact CB-CE2 4.12Å; L400-F402 PolarHBondContact O-N 2.99Å
401G84.3Confident88.4Confident55 Ų5530.1 Ų30.157%0.56721%0.214SC*.  trans77.212.8169.200000116.2G398 A399G398-G401 PolarHBondContact O-N 3.37Å; G398-G401 VanDerWaalsContact O-N 3.12Å; A399-G401 VanDerWaalsContact C-N 3.28Å; A399-G401 PolarHBondContact O-N 2.77Å
402F88.2Confident88Confident9 Ų930.2 Ų30.24%0.03922%0.215CC..  trans-74.2142.9171.5-68-103.4000110K361 A367 D368 L371 G396 L400 I410K361-F402 HydrophobicContact CB-CD2 4.25Å; K361-F402 HydrophobicContact CB-CE2 4.24Å; K361-F402 HydrophobicContact CB-CG 4.48Å; K361-F402 HydrophobicContact CB-CZ 4.47Å; K361-F402 HydrophobicContact CD-CD1 4.44Å; K361-F402 HydrophobicContact CD-CE1 4.19Å; A367-F402 HydrophobicContact CB-CZ 3.85Å; D368-F402 VanDerWaalsContact OD1-CE1 3.26Å; D368-F402 WeakPolarHBondContact OD1-CE1 3.48Å; L371-F402 HydrophobicContact CB-CE1 4.48Å; L371-F402 HydrophobicContact CB-CZ 4.23Å; L371-F402 HydrophobicContact CD2-CD1 4.07Å; L371-F402 HydrophobicContact CD2-CE1 3.84Å; L371-F402 HydrophobicContact CD2-CG 4.49Å; L371-F402 HydrophobicContact CD2-CZ 4.09Å; G396-F402 WeakPolarHBondContact O-CB 3.36Å; G396-F402 PolarHBondContact O-N 2.58Å; G396-F402 VanDerWaalsContact O-N 3.09Å; L400-F402 HydrophobicContact CB-CD2 3.91Å; L400-F402 HydrophobicContact CB-CE2 4.12Å; L400-F402 PolarHBondContact O-N 2.99Å; F402-I410 HydrophobicContact CD1-CD1 4.27Å; F402-I410 HydrophobicContact CE1-CD1 4.06Å
403S90.1Very high87.3Confident53 Ų5331.4 Ų31.437%0.37123%0.225SC..  trans-64.2153.4164.976.70000110.2A405 E406 S407S403-A405 PolarHBondContact O-N 3.09Å; S403-E406 WeakPolarHBondContact CA-OE2 3.38Å; S403-E406 WeakPolarHBondContact CB-OE2 3.47Å; S403-E406 PolarHBondContact N-OE2 3.11Å; S403-E406 PolarHBondContact O-N 3.08Å; S403-E406 WeakPolarHBondContact OG-CB 3.45Å; S403-E406 WeakPolarHBondContact OG-CG 3.43Å; S403-E406 PolarHBondContact OG-N 2.95Å; S403-E406 PolarHBondContact OG-OE2 3.44Å; S403-S407 PolarHBondContact O-N 3.18Å; S403-S407 VanDerWaalsContact O-N 3.09Å
404K88.9Confident87Confident64 Ų6431.2 Ų31.228%0.27822%0.224SC..Hα-helixtrans-57.7-32.4178.8-62.4175.9-178.7-171.20112T397 A408 D436 D438 T439 V442T397-K404 HydrophobicContact CG2-CG 4.32Å; K404-A408 VanDerWaalsContact O-CB 3.29Å; K404-A408 WeakPolarHBondContact O-CB 3.2Å; K404-A408 PolarHBondContact O-N 2.66Å; K404-D436 IonicContact NZ-OD1 3.22Å; K404-D438 HydrophobicContact CD-CB 4.04Å; K404-D438 IonicContact NZ-OD2 2.82Å; K404-T439 WeakPolarHBondContact CD-OG1 3.37Å; K404-T439 WeakPolarHBondContact CE-OG1 3.49Å; K404-V442 HydrophobicContact CB-CB 4.18Å; K404-V442 HydrophobicContact CB-CG1 4.1Å; K404-V442 HydrophobicContact CB-CG2 4.21Å
405A81.3Confident87.2Confident47 Ų4730.7 Ų30.739%0.38822%0.219SC..Hα-helixtrans-78.9-40.2-178.500000112.6S403 S409 V442S403-A405 PolarHBondContact O-N 3.09Å; A405-S409 WeakPolarHBondContact O-CB 3.38Å; A405-S409 PolarHBondContact O-N 3.03Å; A405-S409 PolarHBondContact O-OG 3.45Å; A405-V442 HydrophobicContact CB-CG1 3.92Å
406E87.9Confident87Confident80 Ų8030.8 Ų30.837%0.37422%0.22SC..Hα-helixtrans-64-51.7176.5-71.6162136.700110.8S403 A408 S409 I410S403-E406 WeakPolarHBondContact CA-OE2 3.38Å; S403-E406 WeakPolarHBondContact CB-OE2 3.47Å; S403-E406 PolarHBondContact N-OE2 3.11Å; S403-E406 PolarHBondContact O-N 3.08Å; S403-E406 WeakPolarHBondContact OG-CB 3.45Å; S403-E406 WeakPolarHBondContact OG-CG 3.43Å; S403-E406 PolarHBondContact OG-N 2.95Å; S403-E406 PolarHBondContact OG-OE2 3.44Å; E406-A408 VanDerWaalsContact C-N 3.33Å; E406-A408 PolarHBondContact O-N 3.15Å; E406-S409 PolarHBondContact O-N 2.63Å; E406-S409 VanDerWaalsContact O-N 3.1Å; E406-I410 VanDerWaalsContact O-CG1 3.31Å; E406-I410 WeakPolarHBondContact O-CG1 3.41Å; E406-I410 PolarHBondContact O-N 3.33Å
407S90.4Very high87.1Confident0 Ų031.7 Ų31.70%023%0.227CC..Hα-helixtrans-53.4-49.71761630000111.3I395 T397 S403 S409 I410 M411I395-S407 WeakPolarHBondContact O-CB 3.24Å; I395-S407 PolarHBondContact O-OG 3.15Å; T397-S407 WeakPolarHBondContact CG2-OG 3.48Å; S403-S407 PolarHBondContact O-N 3.18Å; S403-S407 VanDerWaalsContact O-N 3.09Å; S407-S409 VanDerWaalsContact C-N 3.33Å; S407-S409 PolarHBondContact O-N 3.22Å; S407-I410 PolarHBondContact O-N 2.67Å; S407-M411 WeakPolarHBondContact O-CB 3.37Å; S407-M411 WeakPolarHBondContact O-CG 2.96Å; S407-M411 PolarHBondContact O-N 2.85Å
408A86.6Confident87.3Confident2 Ų230.6 Ų30.62%0.01722%0.219CC..Hα-helixtrans-56.8-45.117700000112.7K404 E406 L412 L443 V446K404-A408 VanDerWaalsContact O-CB 3.29Å; K404-A408 WeakPolarHBondContact O-CB 3.2Å; K404-A408 PolarHBondContact O-N 2.66Å; E406-A408 VanDerWaalsContact C-N 3.33Å; E406-A408 PolarHBondContact O-N 3.15Å; A408-L412 WeakPolarHBondContact O-CB 3.1Å; A408-L412 PolarHBondContact O-N 3.44Å; A408-L443 HydrophobicContact CB-CD1 3.48Å; A408-L443 VanDerWaalsContact CB-CD1 3.48Å; A408-L443 HydrophobicContact CB-CG 3.76Å; A408-V446 HydrophobicContact CB-CB 4.12Å; A408-V446 HydrophobicContact CB-CG1 4.17Å; A408-V446 HydrophobicContact CB-CG2 4.04Å
409S83.1Confident87.5Confident54 Ų5428.2 Ų28.238%0.37819%0.194SC..Hα-helixtrans-68-43.4-176.6-620000112A405 E406 S407 A413A405-S409 WeakPolarHBondContact O-CB 3.38Å; A405-S409 PolarHBondContact O-N 3.03Å; A405-S409 PolarHBondContact O-OG 3.45Å; E406-S409 PolarHBondContact O-N 2.63Å; E406-S409 VanDerWaalsContact O-N 3.1Å; S407-S409 VanDerWaalsContact C-N 3.33Å; S407-S409 PolarHBondContact O-N 3.22Å; S409-A413 WeakPolarHBondContact O-CB 3.19Å; S409-A413 PolarHBondContact O-N 2.85Å
410I88.9Confident87.6Confident24 Ų2430.5 Ų30.512%0.12319%0.187CC..Hα-helixtrans-66.6-50.5179.4-65.8165.5000110.5D368 L371 F402 E406 S407 L412 A413 A414D368-I410 HydrophobicContact CB-CD1 3.91Å; L371-I410 HydrophobicContact CB-CG2 4.1Å; L371-I410 HydrophobicContact CD2-CB 4.12Å; L371-I410 HydrophobicContact CD2-CD1 4.1Å; L371-I410 HydrophobicContact CD2-CG2 3.95Å; L371-I410 HydrophobicContact CG-CB 4.43Å; L371-I410 HydrophobicContact CG-CG2 3.74Å; F402-I410 HydrophobicContact CD1-CD1 4.27Å; F402-I410 HydrophobicContact CE1-CD1 4.06Å; E406-I410 VanDerWaalsContact O-CG1 3.31Å; E406-I410 WeakPolarHBondContact O-CG1 3.41Å; E406-I410 PolarHBondContact O-N 3.33Å; S407-I410 PolarHBondContact O-N 2.67Å; I410-L412 VanDerWaalsContact C-N 3.31Å; I410-L412 PolarHBondContact O-N 3.3Å; I410-A413 WeakPolarHBondContact O-CB 3.46Å; I410-A413 PolarHBondContact O-N 2.91Å; I410-A413 VanDerWaalsContact O-N 3.09Å; I410-A414 PolarHBondContact O-N 3.38Å
411M94.6Very high87.5Confident0 Ų037 Ų370%021%0.214CC..Hα-helixtrans-58.6-44.4178.8-69.8-177.971.800111.3L371 V375 F392 P393 I395 S407 A413 A414 V415 F430L371-M411 HydrophobicContact CD1-CG 4.49Å; V375-M411 HydrophobicContact CG2-CB 4.48Å; V375-M411 HydrophobicContact CG2-CG 4.01Å; F392-M411 HydrophobicContact CB-CE 3.61Å; F392-M411 HydrophobicContact CD1-CE 4.43Å; F392-M411 HydrophobicContact CG-CE 4.21Å; P393-M411 WeakPolarHBondContact O-CE 3.26Å; I395-M411 HydrophobicContact CB-CE 4.43Å; I395-M411 HydrophobicContact CB-SD 4.1Å; I395-M411 HydrophobicContact CD1-CE 4.45Å; I395-M411 HydrophobicContact CG1-CE 4.1Å; I395-M411 HydrophobicContact CG1-SD 4.42Å; S407-M411 WeakPolarHBondContact O-CB 3.37Å; S407-M411 WeakPolarHBondContact O-CG 2.96Å; S407-M411 PolarHBondContact O-N 2.85Å; M411-A413 VanDerWaalsContact C-N 3.3Å; M411-A413 PolarHBondContact O-N 3.49Å; M411-A414 PolarHBondContact O-N 3.11Å; M411-V415 WeakPolarHBondContact O-CG2 3.37Å; M411-V415 PolarHBondContact O-N 3.38Å; M411-V415 VanDerWaalsContact O-N 3.1Å; M411-F430 HydrophobicContact CB-CE2 4.36Å; M411-F430 HydrophobicContact CB-CZ 3.84Å; M411-F430 HydrophobicContact CE-CD1 4Å; M411-F430 HydrophobicContact CE-CE1 3.6Å; M411-F430 HydrophobicContact CE-CZ 4.01Å
412L89.3Confident87.7Confident3 Ų336 Ų362%0.01619%0.194CC..Hα-helixtrans-68.1-30.8178.4-173.662.2000112.3I280 L285 A408 I410 S416 V446 M447 R450I280-L412 HydrophobicContact CD1-CD1 4.09Å; L285-L412 HydrophobicContact CD2-CD1 3.28Å; A408-L412 WeakPolarHBondContact O-CB 3.1Å; A408-L412 PolarHBondContact O-N 3.44Å; I410-L412 VanDerWaalsContact C-N 3.31Å; I410-L412 PolarHBondContact O-N 3.3Å; L412-S416 WeakPolarHBondContact O-CB 3.44Å; L412-S416 PolarHBondContact O-N 3.46Å; L412-S416 PolarHBondContact O-OG 2.71Å; L412-V446 HydrophobicContact CD2-CG1 3.74Å; L412-V446 WeakPolarHBondContact CD2-O 3.41Å; L412-M447 HydrophobicContact CD1-CG 4.39Å; L412-M447 HydrophobicContact CD2-CG 4.38Å; L412-R450 HydrophobicContact CD2-CB 3.63Å; L412-R450 HydrophobicContact CD2-CG 4.13Å
413A83.8Confident87.5Confident25 Ų2542.4 Ų42.421%0.20723%0.228CC..Hα-helixtrans-66.3-41.8173.800000112.7Y372 S409 I410 M411 S416 A417 R450Y372-A413 HydrophobicContact CD2-CB 4.32Å; Y372-A413 HydrophobicContact CE2-CB 4.08Å; S409-A413 WeakPolarHBondContact O-CB 3.19Å; S409-A413 PolarHBondContact O-N 2.85Å; I410-A413 WeakPolarHBondContact O-CB 3.46Å; I410-A413 PolarHBondContact O-N 2.91Å; I410-A413 VanDerWaalsContact O-N 3.09Å; M411-A413 VanDerWaalsContact C-N 3.3Å; M411-A413 PolarHBondContact O-N 3.49Å; A413-S416 PolarHBondContact O-N 3.48Å; A413-A417 WeakPolarHBondContact O-CB 3.44Å; A413-A417 PolarHBondContact O-N 2.84Å; A413-R450 VanDerWaalsContact CA-NH1 3.28Å; A413-R450 VanDerWaalsContact CA-NH2 3.34Å; A413-R450 VanDerWaalsContact N-NH1 3.19Å
414A90.6Very high87.4Confident0 Ų044.5 Ų44.50%023%0.234CC..Hα-helixtrans-63.5-46.5174.800000111.9Y372 V375 L376 I410 M411 S416 A417 F418Y372-A414 HydrophobicContact CD2-CB 3.93Å; Y372-A414 HydrophobicContact CE2-CB 4.01Å; Y372-A414 HydrophobicContact CG-CB 4.5Å; V375-A414 HydrophobicContact CB-CB 3.69Å; V375-A414 HydrophobicContact CG1-CB 3.62Å; L376-A414 HydrophobicContact CB-CB 4.18Å; I410-A414 PolarHBondContact O-N 3.38Å; M411-A414 PolarHBondContact O-N 3.11Å; A414-S416 VanDerWaalsContact C-N 3.28Å; A414-S416 PolarHBondContact O-N 3.46Å; A414-A417 PolarHBondContact O-N 3.33Å; A414-F418 PolarHBondContact O-N 2.96Å
415V92.8Very high87.5Confident0 Ų048.9 Ų48.90%025%0.249CC..Hα-helixtrans-58-42.8175.4175.40000111.1I280 V283 L285 V375 L379 M411 F418 A419 V428 F430I280-V415 HydrophobicContact CD1-CG1 4.31Å; V283-V415 HydrophobicContact CG1-CG1 4.15Å; L285-V415 HydrophobicContact CD2-CG1 4.48Å; V375-V415 HydrophobicContact CG1-CG2 4.36Å; L379-V415 HydrophobicContact CD1-CB 4.4Å; L379-V415 HydrophobicContact CD1-CG2 3.99Å; M411-V415 WeakPolarHBondContact O-CG2 3.37Å; M411-V415 PolarHBondContact O-N 3.38Å; M411-V415 VanDerWaalsContact O-N 3.1Å; V415-F418 PolarHBondContact O-N 3.45Å; V415-A419 VanDerWaalsContact O-CB 3.31Å; V415-A419 WeakPolarHBondContact O-CB 3.3Å; V415-A419 PolarHBondContact O-N 2.89Å; V415-V428 HydrophobicContact CG2-CG1 4.26Å; V415-F430 HydrophobicContact CG2-CE1 4.25Å; V415-F430 HydrophobicContact CG2-CZ 3.85Å
416S86.4Confident88.2Confident2 Ų246.7 Ų46.71%0.01423%0.231CC..Hα-helixtrans-64.4-44.6178.6-60.60000112.8L412 A413 A414 F418 A419 Q420 R450 M454L412-S416 WeakPolarHBondContact O-CB 3.44Å; L412-S416 PolarHBondContact O-N 3.46Å; L412-S416 PolarHBondContact O-OG 2.71Å; A413-S416 PolarHBondContact O-N 3.48Å; A414-S416 VanDerWaalsContact C-N 3.28Å; A414-S416 PolarHBondContact O-N 3.46Å; S416-F418 VanDerWaalsContact C-N 3.33Å; S416-A419 PolarHBondContact O-N 3.47Å; S416-Q420 WeakPolarHBondContact O-CG 3.16Å; S416-Q420 PolarHBondContact O-N 2.88Å; S416-R450 VanDerWaalsContact OG-CZ 3.27Å; S416-R450 PolarHBondContact OG-NE 3.24Å; S416-R450 PolarHBondContact OG-NH2 2.91Å; S416-M454 VanDerWaalsContact CB-CE 3.47Å; S416-M454 WeakPolarHBondContact OG-CE 3.22Å
417A84.6Confident88.5Confident23 Ų2344.4 Ų44.419%0.1922%0.221CC..Hα-helixtrans-65.9-37179.200000112Y372 A413 A414Y372-A417 WeakPolarHBondContact OH-CB 3.25Å; A413-A417 WeakPolarHBondContact O-CB 3.44Å; A413-A417 PolarHBondContact O-N 2.84Å; A414-A417 PolarHBondContact O-N 3.33Å
418F90.9Very high88.9Confident12 Ų1244.4 Ų44.45%0.05322%0.221CC..Hα-helixtrans-62.7-50.1171.8171.3-102.4000111.4V283 L376 L379 R380 A383 A414 V415 S416 Q420 K421 Y422 M426V283-F418 HydrophobicContact CG2-CD1 3.99Å; V283-F418 HydrophobicContact CG2-CE1 3.93Å; L376-F418 HydrophobicContact CD1-CB 3.84Å; L379-F418 HydrophobicContact CB-CB 4.2Å; L379-F418 HydrophobicContact CB-CD1 3.97Å; L379-F418 HydrophobicContact CB-CD2 3.62Å; L379-F418 HydrophobicContact CB-CE1 4.25Å; L379-F418 HydrophobicContact CB-CE2 3.93Å; L379-F418 HydrophobicContact CB-CG 3.65Å; L379-F418 HydrophobicContact CB-CZ 4.23Å; L379-F418 HydrophobicContact CD1-CB 3.79Å; L379-F418 HydrophobicContact CD1-CD1 4.13Å; L379-F418 HydrophobicContact CD1-CG 3.98Å; L379-F418 HydrophobicContact CD2-CD1 4.16Å; L379-F418 HydrophobicContact CD2-CE1 4.31Å; L379-F418 HydrophobicContact CG-CD1 4.32Å; L379-F418 HydrophobicContact CG-CG 4.3Å; L379-F418 WeakPolarHBondContact O-CE2 3.41Å; R380-F418 HydrophobicContact CG-CD2 4.38Å; A383-F418 HydrophobicContact CB-CE2 3.86Å; A383-F418 HydrophobicContact CB-CZ 3.87Å; A414-F418 PolarHBondContact O-N 2.96Å; V415-F418 PolarHBondContact O-N 3.45Å; S416-F418 VanDerWaalsContact C-N 3.33Å; F418-Q420 PolarHBondContact O-N 2.78Å; F418-K421 PolarHBondContact O-N 2.94Å; F418-Y422 AromaticContact CE1-CD1 3.68Å; F418-Y422 HydrophobicContact CE1-CD1 3.68Å; F418-Y422 HydrophobicContact CE1-CE1 4.36Å; F418-Y422 AromaticContact CE1-CG 3.79Å; F418-Y422 HydrophobicContact CE1-CG 3.79Å; F418-Y422 HydrophobicContact CE2-CD2 4.02Å; F418-Y422 AromaticContact CE2-CG 3.92Å; F418-Y422 HydrophobicContact CE2-CG 3.92Å; F418-Y422 AromaticContact CZ-CD1 3.51Å; F418-Y422 HydrophobicContact CZ-CD1 3.51Å; F418-Y422 AromaticContact CZ-CD2 3.71Å; F418-Y422 HydrophobicContact CZ-CD2 3.71Å; F418-Y422 AromaticContact CZ-CE1 4Å; F418-Y422 HydrophobicContact CZ-CE1 4Å; F418-Y422 HydrophobicContact CZ-CE2 4.21Å; F418-Y422 AromaticContact CZ-CG 3.32Å; F418-Y422 HydrophobicContact CZ-CG 3.32Å; F418-Y422 WeakPolarHBondContact O-CB 3.28Å; F418-Y422 PolarHBondContact O-N 2.92Å; F418-M426 HydrophobicContact CE1-CB 4.31Å; F418-M426 HydrophobicContact CE1-CG 4.32Å; F418-M426 HydrophobicContact CZ-CE 4.36Å
419A88.5Confident89.4Confident7 Ų745.2 Ų45.26%0.05823%0.225CC..Hα-helixtrans-61.7-27.8-176.300000114.2I280 V283 V415 S416 K421I280-A419 HydrophobicContact CB-CB 4.13Å; I280-A419 HydrophobicContact CG2-CB 3.5Å; I280-A419 VanDerWaalsContact CG2-CB 3.5Å; I280-A419 WeakPolarHBondContact O-CB 3.42Å; V283-A419 HydrophobicContact CB-CB 3.97Å; V283-A419 HydrophobicContact CG2-CB 3.53Å; V415-A419 VanDerWaalsContact O-CB 3.31Å; V415-A419 WeakPolarHBondContact O-CB 3.3Å; V415-A419 PolarHBondContact O-N 2.89Å; S416-A419 PolarHBondContact O-N 3.47Å; A419-K421 VanDerWaalsContact C-N 3.29Å; A419-K421 PolarHBondContact O-N 2.91Å
420Q83.8Confident90Very high148 Ų14842.7 Ų42.769%0.69221%0.207SC*.Hα-helixtrans-66.4-29175.4-76174.9-3.200113.5S416 F418S416-Q420 WeakPolarHBondContact O-CG 3.16Å; S416-Q420 PolarHBondContact O-N 2.88Å; F418-Q420 PolarHBondContact O-N 2.78Å
421K83.4Confident90.3Very high170 Ų17041.8 Ų41.874%0.73920%0.203SC*.Hα-helixtrans-105.6-17.4-175.4-61.9-174.2179.4-173.60112.9F418 A419F418-K421 PolarHBondContact O-N 2.94Å; A419-K421 VanDerWaalsContact C-N 3.29Å; A419-K421 PolarHBondContact O-N 2.91Å
422Y87.3Confident90.2Very high33 Ų3342 Ų4213%0.12920%0.203CC..  trans-93121.1-175.3-168.6-115000111.7A383 F418 N424 M426A383-Y422 HydrophobicContact CB-CD2 3.91Å; A383-Y422 HydrophobicContact CB-CE2 3.35Å; F418-Y422 AromaticContact CE1-CD1 3.68Å; F418-Y422 HydrophobicContact CE1-CD1 3.68Å; F418-Y422 HydrophobicContact CE1-CE1 4.36Å; F418-Y422 AromaticContact CE1-CG 3.79Å; F418-Y422 HydrophobicContact CE1-CG 3.79Å; F418-Y422 HydrophobicContact CE2-CD2 4.02Å; F418-Y422 AromaticContact CE2-CG 3.92Å; F418-Y422 HydrophobicContact CE2-CG 3.92Å; F418-Y422 AromaticContact CZ-CD1 3.51Å; F418-Y422 HydrophobicContact CZ-CD1 3.51Å; F418-Y422 AromaticContact CZ-CD2 3.71Å; F418-Y422 HydrophobicContact CZ-CD2 3.71Å; F418-Y422 AromaticContact CZ-CE1 4Å; F418-Y422 HydrophobicContact CZ-CE1 4Å; F418-Y422 HydrophobicContact CZ-CE2 4.21Å; F418-Y422 AromaticContact CZ-CG 3.32Å; F418-Y422 HydrophobicContact CZ-CG 3.32Å; F418-Y422 WeakPolarHBondContact O-CB 3.28Å; F418-Y422 PolarHBondContact O-N 2.92Å; Y422-N424 HydrophobicContact CD1-CB 4.49Å; Y422-N424 WeakPolarHBondContact CD1-O 3.37Å; Y422-N424 HydrophobicContact CE1-CB 3.72Å; Y422-N424 WeakPolarHBondContact CE1-O 3.45Å; Y422-N424 HydrophobicContact CE2-CB 4.31Å; Y422-M426 HydrophobicContact CD1-CB 4.33Å; Y422-M426 HydrophobicContact CE1-CB 3.96Å; Y422-M426 HydrophobicContact CE1-CE 4.25Å
423L84.3Confident90.2Very high144 Ų14447 Ų4775%0.75423%0.225SC*.  trans-91.8-16.6-173.4-63.8174.8000113.9N282N282-L423 PolarHBondContact ND2-O 3.45Å
424N88Confident90.1Very high96 Ų9648.3 Ų48.351%0.51323%0.232SC..SBendtrans-94168.1179.6-66.3-30.8000111.6N282 Y422N282-N424 WeakPolarHBondContact CB-O 3.26Å; Y422-N424 HydrophobicContact CD1-CB 4.49Å; Y422-N424 WeakPolarHBondContact CD1-O 3.37Å; Y422-N424 HydrophobicContact CE1-CB 3.72Å; Y422-N424 WeakPolarHBondContact CE1-O 3.45Å; Y422-N424 HydrophobicContact CE2-CB 4.31Å
425R91.1Very high89.5Confident157 Ų15753.2 Ų53.259%0.59226%0.262SS*.  trans-71.1137.5175.1-176.2177.1168.5-174.3-7.5111N282 D427N282-R425 VanDerWaalsContact O-CA 3.28Å; N282-R425 WeakPolarHBondContact O-CA 3.5Å; R425-D427 IonicContact CZ-OD1 3.75Å; R425-D427 IonicContact CZ-OD2 3.16Å; R425-D427 IonicContact NE-OD1 3.73Å; R425-D427 PolarHBondContact NE-OD1 2.8Å; R425-D427 IonicContact NE-OD2 2.62Å; R425-D427 IonicContact NH2-OD1 3.65Å; R425-D427 PolarHBondContact NH2-OD1 3.36Å; R425-D427 IonicContact NH2-OD2 2.98Å; R425-D427 PolarHBondContact NH2-OD2 3.42Å
426M95.2Very high88.9Confident0 Ų055.4 Ų55.40%027%0.274CS..EExtended strand (participates in β ladder)trans-140.1127.1169.4-17870.770.800109.6N282 V283 L284 A382 A383 Y387 N388 I390 F418 Y422 V428N282-M426 PolarHBondContact O-N 2.75Å; V283-M426 CarbonylContact C-O 3.55Å; V283-M426 VanDerWaalsContact CA-O 3.23Å; V283-M426 WeakPolarHBondContact CA-O 3.34Å; V283-M426 HydrophobicContact CG1-CB 4.49Å; V283-M426 WeakPolarHBondContact CG1-O 3.31Å; V283-M426 HydrophobicContact CG2-CB 4.25Å; L284-M426 PolarHBondContact N-O 2.81Å; A382-M426 HydrophobicContact CB-CE 4.24Å; A383-M426 HydrophobicContact CB-CE 4.32Å; Y387-M426 WeakPolarHBondContact O-CE 3.46Å; N388-M426 VanDerWaalsContact C-SD 3.58Å; I390-M426 HydrophobicContact CG2-CG 4.44Å; I390-M426 HydrophobicContact CG2-SD 4.21Å; F418-M426 HydrophobicContact CE1-CB 4.31Å; F418-M426 HydrophobicContact CE1-CG 4.32Å; F418-M426 HydrophobicContact CZ-CE 4.36Å; Y422-M426 HydrophobicContact CD1-CB 4.33Å; Y422-M426 HydrophobicContact CE1-CB 3.96Å; Y422-M426 HydrophobicContact CE1-CE 4.25Å; M426-V428 HydrophobicContact CG-CG2 3.9Å
427D95.8Very high88.5Confident33 Ų3360.8 Ų60.818%0.17630%0.298CS..EExtended strand (participates in β ladder)trans-96106.8175.1-66.6-11.2000109L284 N388 S389 I390 R425L284-D427 CarbonylContact O-C 3.48Å; L284-D427 WeakPolarHBondContact O-CA 3.34Å; N388-D427 PolarHBondContact O-N 2.83Å; S389-D427 CarbonylContact C-O 3.58Å; S389-D427 WeakPolarHBondContact CA-O 3.17Å; I390-D427 PolarHBondContact N-O 3.34Å; R425-D427 IonicContact CZ-OD1 3.75Å; R425-D427 IonicContact CZ-OD2 3.16Å; R425-D427 IonicContact NE-OD1 3.73Å; R425-D427 PolarHBondContact NE-OD1 2.8Å; R425-D427 IonicContact NE-OD2 2.62Å; R425-D427 IonicContact NH2-OD1 3.65Å; R425-D427 PolarHBondContact NH2-OD1 3.36Å; R425-D427 IonicContact NH2-OD2 2.98Å; R425-D427 PolarHBondContact NH2-OD2 3.42Å
428V97.3Very high87.8Confident0 Ų063 Ų630%031%0.307CS..EExtended strand (participates in β ladder)trans-99.6130.1179.8-1780000109V283 L284 L285 T286 L379 I390 F392 V415 M426 F430V283-V428 HydrophobicContact CG1-CB 4.22Å; V283-V428 HydrophobicContact CG1-CG2 3.5Å; L284-V428 PolarHBondContact O-N 2.94Å; L285-V428 CarbonylContact C-O 3.54Å; L285-V428 VanDerWaalsContact CA-O 3.25Å; L285-V428 WeakPolarHBondContact CA-O 3.29Å; L285-V428 HydrophobicContact CD1-CB 3.79Å; L285-V428 HydrophobicContact CD1-CG1 3.51Å; T286-V428 PolarHBondContact N-O 3.23Å; L379-V428 HydrophobicContact CD2-CG2 3.67Å; I390-V428 HydrophobicContact CG2-CB 4.47Å; I390-V428 HydrophobicContact CG2-CG1 4.41Å; I390-V428 HydrophobicContact CG2-CG2 3.9Å; I390-V428 CarbonylContact O-C 3.33Å; I390-V428 WeakPolarHBondContact O-CA 3.36Å; F392-V428 HydrophobicContact CD2-CG1 3.97Å; F392-V428 HydrophobicContact CE2-CG1 4.05Å; V415-V428 HydrophobicContact CG2-CG1 4.26Å; M426-V428 HydrophobicContact CG-CG2 3.9Å; V428-F430 HydrophobicContact CG1-CE1 4.27Å
429H96.8Very high87Confident18 Ų1862.5 Ų62.58%0.08331%0.305CS..EExtended strand (participates in β ladder)trans-114.9132.9175.8-60.9153.9000111.3T286 K288 T297 I390 T391 F392 V431T286-H429 CarbonylContact O-C 3.54Å; T286-H429 VanDerWaalsContact O-CA 3.29Å; T286-H429 WeakPolarHBondContact O-CA 3.43Å; K288-H429 PolarHBondContact NZ-CE1 2.73Å; K288-H429 PolarHBondContact NZ-NE2 3.11Å; T297-H429 WeakPolarHBondContact CG2-ND1 3.04Å; I390-H429 PolarHBondContact O-N 3.42Å; T391-H429 CarbonylContact C-O 3.52Å; T391-H429 WeakPolarHBondContact CA-O 3.47Å; T391-H429 HydrophobicContact CG2-CB 3.94Å; F392-H429 PolarHBondContact N-O 3.43Å; H429-V431 HydrophobicContact CB-CG2 4.37Å
430F96.5Very high86.7Confident1 Ų164 Ų640%0.00431%0.31CS..EExtended strand (participates in β ladder)trans-100.3115.6163-70.2-16.5000108.4L285 T286 L287 K288 F392 M411 V415 V428 L443 M447L285-F430 HydrophobicContact CD1-CD1 4.12Å; L285-F430 HydrophobicContact CD1-CD2 3.94Å; L285-F430 HydrophobicContact CD1-CE1 4.1Å; L285-F430 HydrophobicContact CD1-CE2 3.95Å; L285-F430 HydrophobicContact CD1-CG 4.07Å; L285-F430 HydrophobicContact CD1-CZ 4.04Å; L285-F430 HydrophobicContact CD2-CD2 4.31Å; L285-F430 HydrophobicContact CD2-CE2 3.97Å; T286-F430 PolarHBondContact O-N 2.85Å; L287-F430 WeakPolarHBondContact CA-O 3.35Å; L287-F430 HydrophobicContact CD1-CB 3.71Å; K288-F430 PolarHBondContact N-O 3.39Å; F392-F430 HydrophobicContact CB-CD1 3.87Å; F392-F430 HydrophobicContact CB-CE1 4Å; F392-F430 HydrophobicContact CD2-CD1 4.38Å; F392-F430 HydrophobicContact CD2-CE1 4.04Å; F392-F430 HydrophobicContact CG-CD1 4.49Å; F392-F430 HydrophobicContact CG-CE1 4.22Å; F392-F430 WeakPolarHBondContact O-CA 3.42Å; M411-F430 HydrophobicContact CB-CE2 4.36Å; M411-F430 HydrophobicContact CB-CZ 3.84Å; M411-F430 HydrophobicContact CE-CD1 4Å; M411-F430 HydrophobicContact CE-CE1 3.6Å; M411-F430 HydrophobicContact CE-CZ 4.01Å; V415-F430 HydrophobicContact CG2-CE1 4.25Å; V415-F430 HydrophobicContact CG2-CZ 3.85Å; V428-F430 HydrophobicContact CG1-CE1 4.27Å; F430-L443 HydrophobicContact CB-CD2 3.79Å; F430-L443 HydrophobicContact CD2-CD2 3.45Å; F430-L443 VanDerWaalsContact CD2-CD2 3.45Å; F430-L443 HydrophobicContact CE2-CD2 4.26Å; F430-L443 HydrophobicContact CG-CD2 3.9Å; F430-M447 HydrophobicContact CD2-SD 4.11Å
431V94.9Very high86.3Confident6 Ų663.1 Ų63.14%0.03630%0.301CS..EExtended strand (participates in β ladder)trans-108.3115.9-176.3172.10000109.7K288 G290 I292 Q295 T391 F392 H429K288-V431 HydrophobicContact CB-CG2 4.17Å; K288-V431 WeakPolarHBondContact O-CA 3.48Å; G290-V431 WeakPolarHBondContact O-CG1 3.4Å; I292-V431 HydrophobicContact CD1-CB 4.02Å; I292-V431 HydrophobicContact CD1-CG1 4.41Å; Q295-V431 HydrophobicContact CG-CG1 4.28Å; Q295-V431 HydrophobicContact CG-CG2 3.94Å; T391-V431 HydrophobicContact CG2-CB 3.84Å; T391-V431 HydrophobicContact CG2-CG2 3.34Å; F392-V431 PolarHBondContact O-N 3.02Å; H429-V431 HydrophobicContact CB-CG2 4.37Å
432I93.2Very high86Confident3 Ų356.6 Ų56.62%0.01528%0.275CS..EExtended strand (participates in β ladder)trans-104132.4178.2-52.3-52.6000108.9L287 K288 K289 G290 A394 D436 T439 F440 L443L287-I432 HydrophobicContact CD1-CG1 3.88Å; K288-I432 PolarHBondContact O-N 3.11Å; K289-I432 CarbonylContact C-O 3.55Å; K289-I432 VanDerWaalsContact CA-O 3.31Å; K289-I432 WeakPolarHBondContact CA-O 3.38Å; G290-I432 PolarHBondContact N-O 3.41Å; G290-I432 CarbonylContact O-C 2.96Å; G290-I432 VanDerWaalsContact O-O 3.1Å; A394-I432 HydrophobicContact CB-CD1 3.61Å; I432-D436 HydrophobicContact CG2-CB 3.86Å; I432-D436 VanDerWaalsContact CG2-O 3.3Å; I432-D436 WeakPolarHBondContact CG2-O 3.33Å; I432-T439 HydrophobicContact CD1-CG2 3.84Å; I432-T439 HydrophobicContact CG2-CG2 4.39Å; I432-F440 HydrophobicContact CB-CB 4.22Å; I432-F440 HydrophobicContact CB-CD2 4.08Å; I432-F440 HydrophobicContact CG1-CB 4.34Å; I432-F440 HydrophobicContact CG1-CD2 4.12Å; I432-F440 HydrophobicContact CG2-CB 3.97Å; I432-L443 HydrophobicContact CD1-CD2 4.16Å
433F89.6Confident85.5Confident108 Ų10855.1 Ų55.147%0.47427%0.269SS..  trans-54.5138.3178.7-168.3-99.3000110.6G290 K291 T435 D436G290-F433 WeakPolarHBondContact O-CA 3.4Å; K291-F433 HydrophobicContact CG-CD2 4.21Å; K291-F433 HydrophobicContact CG-CE2 3.86Å; F433-T435 VanDerWaalsContact CD1-OG1 3.23Å; F433-T435 WeakPolarHBondContact CD1-OG1 3.24Å; F433-T435 HydrophobicContact CE1-CG2 4.38Å; F433-T435 WeakPolarHBondContact CE1-OG1 3.34Å; F433-T435 PolarHBondContact O-N 3.2Å; F433-D436 PolarHBondContact O-N 3.3Å
434P81.1Confident85.2Confident54 Ų5449.3 Ų49.335%0.35124%0.24SC..THydrogen-bonded Turntrans-54-35.2-166.1-3137000115.7
435T78.4Confident84.6Confident103 Ų10350.6 Ų50.663%0.63224%0.242SC*.THydrogen-bonded Turntrans-86.4-8.5-179.460.60000114.1F433 H437F433-T435 VanDerWaalsContact CD1-OG1 3.23Å; F433-T435 WeakPolarHBondContact CD1-OG1 3.24Å; F433-T435 HydrophobicContact CE1-CG2 4.38Å; F433-T435 WeakPolarHBondContact CE1-OG1 3.34Å; F433-T435 PolarHBondContact O-N 3.2Å; T435-H437 VanDerWaalsContact C-N 3.27Å; T435-H437 PolarHBondContact O-CD2 2.87Å; T435-H437 PolarHBondContact O-N 3.23Å
436D80.6Confident83.7Confident45 Ų4544.4 Ų44.424%0.24122%0.221CC..  trans-86.470.2176.5-169.1-3.6000110.8K404 I432 F433 D438 T439 F440K404-D436 IonicContact NZ-OD1 3.22Å; I432-D436 HydrophobicContact CG2-CB 3.86Å; I432-D436 VanDerWaalsContact CG2-O 3.3Å; I432-D436 WeakPolarHBondContact CG2-O 3.33Å; F433-D436 PolarHBondContact O-N 3.3Å; D436-D438 PolarHBondContact O-N 3.07Å; D436-T439 VanDerWaalsContact CG-CB 3.41Å; D436-T439 WeakPolarHBondContact OD1-CB 3.33Å; D436-T439 PolarHBondContact OD1-N 3.1Å; D436-T439 PolarHBondContact OD1-OG1 3.29Å; D436-T439 WeakPolarHBondContact OD2-CB 3.27Å; D436-T439 PolarHBondContact OD2-OG1 2.67Å; D436-F440 WeakPolarHBondContact O-CB 3.49Å; D436-F440 PolarHBondContact O-N 2.91Å
437H76.4Confident82.6Confident115 Ų11544.6 Ų44.653%0.53222%0.222SC..Hα-helixtrans-62.4-33.3-179.9-67.4-95.1000112.6K289 T435 R441K289-H437 PolarHBondContact NZ-CE1 3.12Å; K289-H437 PolarHBondContact NZ-ND1 3.23Å; T435-H437 VanDerWaalsContact C-N 3.27Å; T435-H437 PolarHBondContact O-CD2 2.87Å; T435-H437 PolarHBondContact O-N 3.23Å; H437-R441 VanDerWaalsContact O-CB 3.29Å; H437-R441 WeakPolarHBondContact O-CB 3.35Å; H437-R441 PolarHBondContact O-N 2.97Å
438D70.3Confident81.2Confident71 Ų7147 Ų4738%0.3823%0.234SC..Hα-helixtrans-70.5-47.6-177.4-75.1-27.4000112K404 D436 F440 R441 V442K404-D438 HydrophobicContact CD-CB 4.04Å; K404-D438 IonicContact NZ-OD2 2.82Å; D436-D438 PolarHBondContact O-N 3.07Å; D438-F440 VanDerWaalsContact C-N 3.29Å; D438-F440 PolarHBondContact O-N 2.76Å; D438-R441 PolarHBondContact O-N 3.04Å; D438-R441 IonicContact OD1-CZ 3.66Å; D438-R441 IonicContact OD1-NH1 2.83Å; D438-R441 IonicContact OD1-NH2 3.98Å; D438-R441 PolarHBondContact OD1-NH2 3.09Å; D438-V442 WeakPolarHBondContact O-CG2 3.25Å; D438-V442 PolarHBondContact O-N 3.34Å
439T75.7Confident79.3Confident0 Ų053.4 Ų53.40%027%0.266CS..Hα-helixtrans-65.1-39177.4-570000110.2A394 T397 K404 I432 D436 R441 V442 L443A394-T439 HydrophobicContact CB-CG2 3.54Å; T397-T439 HydrophobicContact CG2-CG2 4.08Å; K404-T439 WeakPolarHBondContact CD-OG1 3.37Å; K404-T439 WeakPolarHBondContact CE-OG1 3.49Å; I432-T439 HydrophobicContact CD1-CG2 3.84Å; I432-T439 HydrophobicContact CG2-CG2 4.39Å; D436-T439 VanDerWaalsContact CG-CB 3.41Å; D436-T439 WeakPolarHBondContact OD1-CB 3.33Å; D436-T439 PolarHBondContact OD1-N 3.1Å; D436-T439 PolarHBondContact OD1-OG1 3.29Å; D436-T439 WeakPolarHBondContact OD2-CB 3.27Å; D436-T439 PolarHBondContact OD2-OG1 2.67Å; T439-R441 PolarHBondContact O-N 3.48Å; T439-V442 PolarHBondContact O-N 2.96Å; T439-L443 HydrophobicContact CG2-CD1 3.96Å; T439-L443 WeakPolarHBondContact O-CB 3.45Å; T439-L443 PolarHBondContact O-N 3.21Å
440F82Confident77.5Confident40 Ų4055.8 Ų55.818%0.17527%0.274CS..Hα-helixtrans-60.7-45.8174.4-172.5-90.2000111.9P276 L287 K289 I432 D436 D438 S444P276-F440 HydrophobicContact CG-CZ 4.14Å; L287-F440 HydrophobicContact CD1-CD2 4.45Å; L287-F440 HydrophobicContact CD2-CD2 3.92Å; L287-F440 HydrophobicContact CD2-CE1 4.4Å; L287-F440 HydrophobicContact CD2-CE2 3.79Å; L287-F440 HydrophobicContact CD2-CG 4.3Å; L287-F440 HydrophobicContact CD2-CZ 4.05Å; L287-F440 HydrophobicContact CG-CD2 3.88Å; L287-F440 HydrophobicContact CG-CE2 3.59Å; L287-F440 HydrophobicContact CG-CZ 4.22Å; K289-F440 HydrophobicContact CB-CE2 4.47Å; K289-F440 HydrophobicContact CD-CD2 4.26Å; K289-F440 HydrophobicContact CD-CE2 4.43Å; K289-F440 HydrophobicContact CD-CG 4.39Å; K289-F440 VanDerWaalsContact CE-CG 3.47Å; K289-F440 HydrophobicContact CG-CD2 3.39Å; K289-F440 HydrophobicContact CG-CE2 3.45Å; K289-F440 VanDerWaalsContact CG-CE2 3.45Å; K289-F440 HydrophobicContact CG-CG 3.99Å; K289-F440 HydrophobicContact CG-CZ 4.09Å; I432-F440 HydrophobicContact CB-CB 4.22Å; I432-F440 HydrophobicContact CB-CD2 4.08Å; I432-F440 HydrophobicContact CG1-CB 4.34Å; I432-F440 HydrophobicContact CG1-CD2 4.12Å; I432-F440 HydrophobicContact CG2-CB 3.97Å; D436-F440 WeakPolarHBondContact O-CB 3.49Å; D436-F440 PolarHBondContact O-N 2.91Å; D438-F440 VanDerWaalsContact C-N 3.29Å; D438-F440 PolarHBondContact O-N 2.76Å; F440-S444 WeakPolarHBondContact O-CB 3.44Å; F440-S444 PolarHBondContact O-N 3.17Å
441R75.2Confident75.3Confident129 Ų12959 Ų5949%0.48729%0.289SS..Hα-helixtrans-62.1-44.5177.9-177.5177.165.5-135.8-10.1111.6H437 D438 T439 K445H437-R441 VanDerWaalsContact O-CB 3.29Å; H437-R441 WeakPolarHBondContact O-CB 3.35Å; H437-R441 PolarHBondContact O-N 2.97Å; D438-R441 PolarHBondContact O-N 3.04Å; D438-R441 IonicContact OD1-CZ 3.66Å; D438-R441 IonicContact OD1-NH1 2.83Å; D438-R441 IonicContact OD1-NH2 3.98Å; D438-R441 PolarHBondContact OD1-NH2 3.09Å; T439-R441 PolarHBondContact O-N 3.48Å; R441-K445 WeakPolarHBondContact O-CG 3.49Å; R441-K445 PolarHBondContact O-N 3.43Å; R441-K445 VanDerWaalsContact O-N 3.07Å
442V75.6Confident72.8Confident33 Ų3362 Ų6220%0.231%0.31CS..Hα-helixtrans-67.2-49.3-179.3173.90000111.2K404 A405 D438 T439 S444 K445 V446K404-V442 HydrophobicContact CB-CB 4.18Å; K404-V442 HydrophobicContact CB-CG1 4.1Å; K404-V442 HydrophobicContact CB-CG2 4.21Å; A405-V442 HydrophobicContact CB-CG1 3.92Å; D438-V442 WeakPolarHBondContact O-CG2 3.25Å; D438-V442 PolarHBondContact O-N 3.34Å; T439-V442 PolarHBondContact O-N 2.96Å; V442-S444 VanDerWaalsContact C-N 3.3Å; V442-S444 PolarHBondContact O-N 3.17Å; V442-K445 PolarHBondContact O-N 3.45Å; V442-V446 HydrophobicContact CG1-CG2 4.47Å; V442-V446 WeakPolarHBondContact O-CG2 3.33Å; V442-V446 PolarHBondContact O-N 3.47Å
443L77.9Confident70.3Confident2 Ų266.8 Ų66.81%0.0134%0.335CS..Hα-helixtrans-59.8-41.5176.4-106.584.2000111.8L287 A408 F430 I432 T439 K445 V446 M447L287-L443 HydrophobicContact CD1-CB 3.9Å; L287-L443 HydrophobicContact CD1-CD2 3.7Å; L287-L443 HydrophobicContact CD1-CG 4.47Å; L287-L443 HydrophobicContact CD2-CB 4.12Å; A408-L443 HydrophobicContact CB-CD1 3.48Å; A408-L443 VanDerWaalsContact CB-CD1 3.48Å; A408-L443 HydrophobicContact CB-CG 3.76Å; F430-L443 HydrophobicContact CB-CD2 3.79Å; F430-L443 HydrophobicContact CD2-CD2 3.45Å; F430-L443 VanDerWaalsContact CD2-CD2 3.45Å; F430-L443 HydrophobicContact CE2-CD2 4.26Å; F430-L443 HydrophobicContact CG-CD2 3.9Å; I432-L443 HydrophobicContact CD1-CD2 4.16Å; T439-L443 HydrophobicContact CG2-CD1 3.96Å; T439-L443 WeakPolarHBondContact O-CB 3.45Å; T439-L443 PolarHBondContact O-N 3.21Å; L443-K445 VanDerWaalsContact C-N 3.34Å; L443-K445 PolarHBondContact O-N 3.02Å; L443-V446 PolarHBondContact O-N 3.29Å; L443-M447 WeakPolarHBondContact O-CB 3.34Å; L443-M447 VanDerWaalsContact O-CG 3.29Å; L443-M447 WeakPolarHBondContact O-CG 3.39Å; L443-M447 PolarHBondContact O-N 3.32Å
444S77.5Confident68Low21 Ų2163.7 Ų63.715%0.14732%0.323CS..Hα-helixtrans-60.3-44177.8-171.50000111.5F440 V442 I448F440-S444 WeakPolarHBondContact O-CB 3.44Å; F440-S444 PolarHBondContact O-N 3.17Å; V442-S444 VanDerWaalsContact C-N 3.3Å; V442-S444 PolarHBondContact O-N 3.17Å; S444-I448 WeakPolarHBondContact O-CD1 3.41Å; S444-I448 VanDerWaalsContact O-CG1 3.23Å; S444-I448 WeakPolarHBondContact O-CG1 3.31Å; S444-I448 PolarHBondContact O-N 2.83Å; S444-I448 VanDerWaalsContact O-N 3.11Å
445K74.9Confident65.8Low123 Ų12365 Ų6554%0.53533%0.33SS..Hα-helixtrans-62.2-46.8176.6-75.3-179.9177.1-168.90111.7R441 V442 L443 M447 I448 M449R441-K445 WeakPolarHBondContact O-CG 3.49Å; R441-K445 PolarHBondContact O-N 3.43Å; R441-K445 VanDerWaalsContact O-N 3.07Å; V442-K445 PolarHBondContact O-N 3.45Å; L443-K445 VanDerWaalsContact C-N 3.34Å; L443-K445 PolarHBondContact O-N 3.02Å; K445-M447 PolarHBondContact O-N 3.05Å; K445-I448 PolarHBondContact O-N 2.86Å; K445-M449 WeakPolarHBondContact O-CB 3.06Å; K445-M449 PolarHBondContact O-N 3.03Å
446V72.4Confident63.4Low28 Ų2866.7 Ų66.717%0.1733%0.334CS..Hα-helixtrans-65.7-38.8-178.5174.70000111.5A408 L412 V442 L443 R450A408-V446 HydrophobicContact CB-CB 4.12Å; A408-V446 HydrophobicContact CB-CG1 4.17Å; A408-V446 HydrophobicContact CB-CG2 4.04Å; L412-V446 HydrophobicContact CD2-CG1 3.74Å; L412-V446 WeakPolarHBondContact CD2-O 3.41Å; V442-V446 HydrophobicContact CG1-CG2 4.47Å; V442-V446 WeakPolarHBondContact O-CG2 3.33Å; V442-V446 PolarHBondContact O-N 3.47Å; L443-V446 PolarHBondContact O-N 3.29Å; V446-R450 PolarHBondContact O-N 2.75Å; V446-R450 VanDerWaalsContact O-N 3.16Å
447M73.4Confident61.1Low4 Ų472.6 Ų72.62%0.0236%0.358CS..Hα-helixtrans-63.2-48.4175-75.41765800112.5V278 L285 L287 L412 F430 L443 K445 M449 R450 E451V278-M447 HydrophobicContact CG2-CB 4.14Å; V278-M447 HydrophobicContact CG2-CE 4.17Å; L285-M447 HydrophobicContact CB-CE 4.47Å; L285-M447 HydrophobicContact CD2-CE 3.83Å; L285-M447 HydrophobicContact CD2-CG 4.14Å; L285-M447 HydrophobicContact CD2-SD 4.13Å; L285-M447 HydrophobicContact CG-CE 3.7Å; L285-M447 HydrophobicContact CG-SD 4.39Å; L287-M447 HydrophobicContact CB-CE 3.97Å; L287-M447 HydrophobicContact CB-SD 3.77Å; L287-M447 HydrophobicContact CD1-SD 4.24Å; L287-M447 HydrophobicContact CD2-SD 4.35Å; L287-M447 HydrophobicContact CG-SD 4.35Å; L412-M447 HydrophobicContact CD1-CG 4.39Å; L412-M447 HydrophobicContact CD2-CG 4.38Å; F430-M447 HydrophobicContact CD2-SD 4.11Å; L443-M447 WeakPolarHBondContact O-CB 3.34Å; L443-M447 VanDerWaalsContact O-CG 3.29Å; L443-M447 WeakPolarHBondContact O-CG 3.39Å; L443-M447 PolarHBondContact O-N 3.32Å; K445-M447 PolarHBondContact O-N 3.05Å; M447-M449 PolarHBondContact O-N 3.46Å; M447-R450 PolarHBondContact O-N 2.82Å; M447-E451 PolarHBondContact O-N 3.44Å
448I65.2Low58.8Low82 Ų8274.6 Ų74.642%0.42137%0.367SS..Hα-helixtrans-64.2-41.1179.6-67.6165.2000111.3S444 K445 R450 E451 S452S444-I448 WeakPolarHBondContact O-CD1 3.41Å; S444-I448 VanDerWaalsContact O-CG1 3.23Å; S444-I448 WeakPolarHBondContact O-CG1 3.31Å; S444-I448 PolarHBondContact O-N 2.83Å; S444-I448 VanDerWaalsContact O-N 3.11Å; K445-I448 PolarHBondContact O-N 2.86Å; I448-R450 VanDerWaalsContact C-N 3.27Å; I448-R450 PolarHBondContact O-N 2.8Å; I448-E451 PolarHBondContact O-N 2.92Å; I448-S452 PolarHBondContact O-N 3.45Å; I448-S452 PolarHBondContact O-OG 3.29Å
449M58.4Low56.8Low135 Ų13580 Ų8067%0.66539%0.388SS*.Hα-helixtrans-62.1-37178.2-170.7173.7178.100111.6K445 M447 L453K445-M449 WeakPolarHBondContact O-CB 3.06Å; K445-M449 PolarHBondContact O-N 3.03Å; M447-M449 PolarHBondContact O-N 3.46Å; M449-L453 WeakPolarHBondContact O-CG 3.04Å; M449-L453 PolarHBondContact O-N 3.37Å
450R59.2Low54.4Low68 Ų6884.5 Ų84.526%0.25742%0.419SS..Hα-helixtrans-81.1-33.8-179.7-156177.3-175.2131.62.5114L412 A413 S416 V446 M447 I448 S452 L453 M454L412-R450 HydrophobicContact CD2-CB 3.63Å; L412-R450 HydrophobicContact CD2-CG 4.13Å; A413-R450 VanDerWaalsContact CA-NH1 3.28Å; A413-R450 VanDerWaalsContact CA-NH2 3.34Å; A413-R450 VanDerWaalsContact N-NH1 3.19Å; S416-R450 VanDerWaalsContact OG-CZ 3.27Å; S416-R450 PolarHBondContact OG-NE 3.24Å; S416-R450 PolarHBondContact OG-NH2 2.91Å; V446-R450 PolarHBondContact O-N 2.75Å; V446-R450 VanDerWaalsContact O-N 3.16Å; M447-R450 PolarHBondContact O-N 2.82Å; I448-R450 VanDerWaalsContact C-N 3.27Å; I448-R450 PolarHBondContact O-N 2.8Å; R450-S452 PolarHBondContact O-N 3.14Å; R450-L453 PolarHBondContact O-N 2.89Å; R450-L453 VanDerWaalsContact O-N 3.11Å; R450-M454 HydrophobicContact CG-CE 4.47Å; R450-M454 WeakPolarHBondContact O-CG 3.31Å; R450-M454 PolarHBondContact O-N 3.47Å
451E49.5Very low51.7Low70 Ų7089.1 Ų89.133%0.32745%0.45SS..Hα-helixtrans-54.3-46.2169-175.3167.2-144.400110.6V278 M447 I448 L453 M454 V455V278-E451 HydrophobicContact CB-CB 4.4Å; V278-E451 HydrophobicContact CG1-CB 3.56Å; V278-E451 HydrophobicContact CG1-CG 3.74Å; V278-E451 HydrophobicContact CG2-CB 3.97Å; V278-E451 HydrophobicContact CG2-CG 4.4Å; M447-E451 PolarHBondContact O-N 3.44Å; I448-E451 PolarHBondContact O-N 2.92Å; E451-L453 VanDerWaalsContact C-N 3.26Å; E451-L453 PolarHBondContact O-N 3Å; E451-M454 PolarHBondContact O-N 2.89Å; E451-M454 VanDerWaalsContact O-N 3.11Å; E451-V455 WeakPolarHBondContact O-CG2 3.34Å; E451-V455 PolarHBondContact O-N 3.26Å; E451-V455 VanDerWaalsContact O-N 3.1Å
452S43Very low49.5Very low69 Ų6987.4 Ų87.448%0.48346%0.458SS..Hα-helixtrans-61-33.4177.6-550000112.8I448 R450 L456I448-S452 PolarHBondContact O-N 3.45Å; I448-S452 PolarHBondContact O-OG 3.29Å; R450-S452 PolarHBondContact O-N 3.14Å; S452-L456 WeakPolarHBondContact O-CD1 3.49Å
453L40.1Very low47Very low102 Ų10295.6 Ų95.653%0.53449%0.492SS..Hα-helixtrans-78.6-24.6177.1-71.1165.6000113.5M449 R450 E451M449-L453 WeakPolarHBondContact O-CG 3.04Å; M449-L453 PolarHBondContact O-N 3.37Å; R450-L453 PolarHBondContact O-N 2.89Å; R450-L453 VanDerWaalsContact O-N 3.11Å; E451-L453 VanDerWaalsContact C-N 3.26Å; E451-L453 PolarHBondContact O-N 3Å
454M40.8Very low44.4Very low44 Ų44101.3 Ų101.322%0.21753%0.526CS..Hα-helixtrans-86.4-36.4-179.1-74-179.4160.900113.3I280 S416 R450 E451 L456 K457I280-M454 HydrophobicContact CB-SD 4.13Å; I280-M454 HydrophobicContact CD1-CE 4.34Å; I280-M454 HydrophobicContact CD1-SD 4.12Å; I280-M454 HydrophobicContact CG1-SD 3.79Å; I280-M454 HydrophobicContact CG2-CE 3.57Å; I280-M454 HydrophobicContact CG2-SD 3.5Å; I280-M454 WeakPolarHBondContact CG2-SD 3.17Å; S416-M454 VanDerWaalsContact CB-CE 3.47Å; S416-M454 WeakPolarHBondContact OG-CE 3.22Å; R450-M454 HydrophobicContact CG-CE 4.47Å; R450-M454 WeakPolarHBondContact O-CG 3.31Å; R450-M454 PolarHBondContact O-N 3.47Å; E451-M454 PolarHBondContact O-N 2.89Å; E451-M454 VanDerWaalsContact O-N 3.11Å; M454-L456 PolarHBondContact O-N 2.9Å; M454-K457 PolarHBondContact O-N 3.38Å
455V34.6Very low41.8Very low82 Ų82105.1 Ų105.150%0.49756%0.56SS.*Hα-helixtrans-58.9-29.1173.2173.80000111.3E451 K457 F459E451-V455 WeakPolarHBondContact O-CG2 3.34Å; E451-V455 PolarHBondContact O-N 3.26Å; E451-V455 VanDerWaalsContact O-N 3.1Å; V455-K457 VanDerWaalsContact C-N 3.34Å; V455-K457 PolarHBondContact O-N 3Å; V455-F459 HydrophobicContact CG1-CE2 4.5Å
456L29.1Very low39.3Very low137 Ų137104.4 Ų104.472%0.71757%0.567SS**THydrogen-bonded Turntrans-71.6-21.6176-72.1165.4000114.2S452 M454S452-L456 WeakPolarHBondContact O-CD1 3.49Å; M454-L456 PolarHBondContact O-N 2.9Å
457K31.2Very low37.2Very low170 Ų170108 Ų10874%0.73959%0.594SS**THydrogen-bonded Turntrans-90.8-15.6-179-76.7-171.2174.7-170.90114.3M454 V455M454-K457 PolarHBondContact O-N 3.38Å; V455-K457 VanDerWaalsContact C-N 3.34Å; V455-K457 PolarHBondContact O-N 3Å
458Q29.5Very low34.7Very low156 Ų156119 Ų11973%0.72964%0.635SS**THydrogen-bonded Turntrans-93.1-4.2-171.3-138167.46.700114.3
459F26.8Very low32.7Very low185 Ų185122.2 Ų122.281%0.81165%0.653SS**THydrogen-bonded Turntrans-91.11.1179.9-89-83.3000115V455V455-F459 HydrophobicContact CG1-CE2 4.5Å
460S26.3Very low31.6Very low94 Ų94124.5 Ų124.566%0.65766%0.659SS**  trans-94.991.2168.759.20000109.5
461V26.2Very low30Very low137 Ų137128.2 Ų128.283%0.8368%0.684SS**SBendtrans170.2133.4140.1161.70000109.3
462S27.3Very low29Very low94 Ų94132.1 Ų132.166%0.65771%0.707SS**  trans74.2106.1166.3172.20000117.4
463F23Very low28.4Very low205 Ų205133.3 Ų133.390%0.89972%0.716SS**  -154.5123127.4-107.8-77.6000111.6
464T23.9Very low28Very low121 Ų121137.5 Ų137.574%0.74273%0.732SS**  trans-65.7138.1165.342.40000110.8
465A22.4Very low27.7Very low102 Ų102141.1 Ų141.184%0.84376%0.762SS**  trans-74141.2-176.900000113.5
466P22.8Very low27.7Very low107 Ų107142.6 Ų142.670%0.69578%0.776SS**  trans-107.1132.6154.715.34.2000111.8
467S28.5Very low28.2Very low104 Ų104147.3 Ų147.373%0.72778%0.784SS**  trans-59.8136.3172150.60000112.8
468W21.2Very low29.1Very low236 Ų236143.2 Ų143.289%0.89478%0.782SS**  trans-134.4127.7160-73.479.4000110.7
469N23.4Very low30.5Very low149 Ų149139.7 Ų139.780%0.79777%0.772SS**  trans-78.5143.6175.2-88.1-34.7000111.7
470K33.9Very low32.8Very low182 Ų182134.3 Ų134.379%0.79176%0.763SS**  trans10.2135150.2-75.7-175.7170.9-175.40120.5
471D25.4Very low35.6Very low147 Ų147131.7 Ų131.779%0.78674%0.743SS**  -170.7155.694.9-98.4-22.1000113.9
472D28.9Very low38.5Very low151 Ų151127.2 Ų127.281%0.80771%0.713SS**  trans-52.8167.6-173.6-65.9-43.9000116.7
473S30.2Very low41.3Very low95 Ų95122.7 Ų122.766%0.66468%0.682SS**  cis-168.7141.220.936.70000109.8
474H32.8Very low44.2Very low190 Ų190113.2 Ų113.288%0.8864%0.641SS**  174.5112.5125.8-96-65.8000109S476H474-S476 PolarHBondContact O-N 3.45Å
475S34.4Very low46.9Very low119 Ų119107.5 Ų107.583%0.83261%0.606SS**  trans-67.7110.1-176.4147.40000112.4
476S33.7Very low49.9Very low113 Ų113106.2 Ų106.279%0.7959%0.587SS**  trans-110116.6133.662.30000106.9H474 A478H474-S476 PolarHBondContact O-N 3.45Å; S476-A478 PolarHBondContact O-N 3.16Å; S476-A478 VanDerWaalsContact O-N 3.15Å
477R39.6Very low52.5Low236 Ų236101.7 Ų101.789%0.89156%0.558SS**PPolyproline II helixtrans-62.8118.3-178.9-156.5174.8-171.1176.11.5107.5
478A50.1Low54.7Low84 Ų84101 Ų10169%0.69455%0.551SS**PPolyproline II helixtrans-54.4134.2175.300000109.2S476S476-A478 PolarHBondContact O-N 3.16Å; S476-A478 VanDerWaalsContact O-N 3.15Å
479P60Low57.5Low82 Ų8290.7 Ų90.753%0.53252%0.515SS..PPolyproline II helixtrans-58.4141.1-18021.9-30.3000110G40G40-P479 VanDerWaalsContact CA-O 3.29Å; G40-P479 WeakPolarHBondContact CA-O 3.27Å
480A75.5Confident60.2Low73 Ų7387.4 Ų87.460%0.60350%0.495SS*.PPolyproline II helixtrans-60.2139.6177.600000110Q482A480-Q482 PolarHBondContact O-N 3.45Å
481P85.3Confident62.4Low38 Ų3879.7 Ų79.725%0.24746%0.462CS..PPolyproline II helixtrans-63.8122.1-176.824.3-33.1000111.6L9 L14 E39 V41L9-P481 HydrophobicContact CB-CB 4.22Å; L9-P481 PolarHBondContact N-O 3.45Å; L14-P481 HydrophobicContact CD1-CB 3.67Å; L14-P481 HydrophobicContact CD1-CG 4.22Å; L14-P481 HydrophobicContact CD2-CG 4.36Å; E39-P481 CarbonylContact O-C 3.48Å; E39-P481 VanDerWaalsContact O-CA 3.25Å; E39-P481 WeakPolarHBondContact O-CA 3.42Å; V41-P481 HydrophobicContact CG2-CB 3.67Å
482Q85.8Confident65.1Low43 Ų4373.3 Ų73.320%0.20143%0.429CS..EExtended strand (participates in β ladder)trans-152.2158-175.965.3-177.86.400113.2I7 I38 E39 A480I7-Q482 CarbonylContact O-C 3.5Å; I7-Q482 VanDerWaalsContact O-CA 3.23Å; I7-Q482 WeakPolarHBondContact O-CA 3.33Å; I7-Q482 WeakPolarHBondContact O-CB 3.35Å; I38-Q482 WeakPolarHBondContact CA-O 2.94Å; E39-Q482 HydrophobicContact CB-CG 4.02Å; E39-Q482 PolarHBondContact N-O 3.29Å; E39-Q482 PolarHBondContact O-N 2.85Å; E39-Q482 PolarHBondContact OE2-NE2 2.82Å; A480-Q482 PolarHBondContact O-N 3.45Å
483I86.3Confident67.8Low0 Ų068 Ų680%040%0.398CS..EExtended strand (participates in β ladder)trans-106.7120.1167.5-50.4179.4000108.4D6 I7 L9 V17 L24 A36 A37 I38 L485 L504D6-I483 CarbonylContact C-O 3.53Å; D6-I483 WeakPolarHBondContact CA-O 3.43Å; I7-I483 HydrophobicContact CB-CB 4.38Å; I7-I483 PolarHBondContact N-O 3.31Å; I7-I483 PolarHBondContact O-N 2.88Å; L9-I483 HydrophobicContact CD1-CD1 4.49Å; L9-I483 HydrophobicContact CD1-CG1 3.86Å; L9-I483 HydrophobicContact CD2-CD1 3.95Å; L9-I483 HydrophobicContact CD2-CG1 3.98Å; L9-I483 HydrophobicContact CG-CG1 4.1Å; V17-I483 HydrophobicContact CG2-CD1 3.99Å; L24-I483 HydrophobicContact CD2-CD1 3.75Å; A36-I483 HydrophobicContact CB-CG2 4.39Å; A37-I483 CarbonylContact O-C 3.58Å; A37-I483 WeakPolarHBondContact O-CA 3.47Å; I38-I483 HydrophobicContact CG1-CG1 4.36Å; I483-L485 HydrophobicContact CG2-CD2 3.67Å; I483-L485 HydrophobicContact CG2-CG 4.41Å; I483-L504 HydrophobicContact CD1-CD1 3.84Å
484S83.3Confident70.3Confident6 Ų666.1 Ų66.14%0.04238%0.379CS..EExtended strand (participates in β ladder)trans-101.1120.6171.9-69.90000110.5L5 D6 A36 A37L5-S484 CarbonylContact O-C 3.51Å; L5-S484 WeakPolarHBondContact O-CA 3.5Å; D6-S484 WeakPolarHBondContact OD1-CA 3.5Å; D6-S484 VanDerWaalsContact OD1-CB 3.24Å; D6-S484 WeakPolarHBondContact OD1-CB 3.45Å; D6-S484 PolarHBondContact OD1-OG 2.75Å; A36-S484 CarbonylContact C-O 3.56Å; A36-S484 WeakPolarHBondContact CA-O 3.44Å; A37-S484 PolarHBondContact N-O 3.45Å; A37-S484 PolarHBondContact O-N 3.32Å
485L82.3Confident72.6Confident0 Ų058 Ų580%034%0.341CS..EExtended strand (participates in β ladder)trans-104.7134.7174.8-50.1-175.5000110.9K4 L5 I28 V35 A36 I483 A496 L500K4-L485 VanDerWaalsContact CA-O 3.3Å; K4-L485 WeakPolarHBondContact CA-O 3.16Å; L5-L485 HydrophobicContact CB-CB 4.21Å; L5-L485 HydrophobicContact CD2-CD1 3.97Å; L5-L485 PolarHBondContact N-O 3Å; L5-L485 PolarHBondContact O-N 3.27Å; I28-L485 HydrophobicContact CD1-CD2 4Å; I28-L485 HydrophobicContact CG2-CD2 4.17Å; V35-L485 CarbonylContact O-C 3.5Å; V35-L485 WeakPolarHBondContact O-CA 3.3Å; A36-L485 HydrophobicContact CB-CD2 3.4Å; A36-L485 VanDerWaalsContact CB-CD2 3.4Å; I483-L485 HydrophobicContact CG2-CD2 3.67Å; I483-L485 HydrophobicContact CG2-CG 4.41Å; L485-A496 HydrophobicContact CD1-CB 4.01Å; L485-L500 HydrophobicContact CD1-CD1 3.75Å; L485-L500 HydrophobicContact CD2-CD1 4.46Å
486V83.7Confident75.1Confident76 Ų7652.3 Ų52.346%0.46130%0.302SS..EExtended strand (participates in β ladder)trans-109.1110.6164.6-179.30000107.5C34 V35C34-V486 CarbonylContact C-O 3.52Å; C34-V486 WeakPolarHBondContact CA-O 3.11Å; V35-V486 HydrophobicContact CB-CB 4.45Å; V35-V486 PolarHBondContact N-O 2.85Å; V35-V486 PolarHBondContact O-N 2.86Å
487C78.4Confident77.6Confident11 Ų1149.5 Ų49.57%0.07428%0.276CS..EExtended strand (participates in β ladder)trans-107.6146.6-174.2-73.60000112.8N3 C34 S489 K493N3-C487 PolarHBondContact O-N 3.32Å; C34-C487 HydrophobicContact CB-CB 4.18Å; C34-C487 WeakPolarHBondContact CB-SG 3.19Å; C34-C487 VanDerWaalsContact SG-CA 3.54Å; C34-C487 WeakPolarHBondContact SG-CB 3.49Å; C34-C487 CovalentContact SG-SG 2.06Å; C34-C487 PolarHBondContact SG-SG 3.16Å; C487-S489 VanDerWaalsContact C-N 3.28Å; C487-S489 PolarHBondContact O-N 3.1Å; C487-K493 HydrophobicContact CB-CB 3.8Å; C487-K493 VanDerWaalsContact SG-CA 3.56Å
488P74.7Confident79.8Confident91 Ų9142.6 Ų42.659%0.59125%0.25SC*.SBendtrans-74.2-20.3-17729.5-35000112.7G33G33-P488 WeakPolarHBondContact O-CD 3.5Å
489S78.9Confident81.5Confident19 Ų1940 Ų4013%0.13322%0.222CC..SBendtrans-152.7164.8178.581.20000111.6C487 E491 S492 K493C487-S489 VanDerWaalsContact C-N 3.28Å; C487-S489 PolarHBondContact O-N 3.1Å; S489-E491 VanDerWaalsContact C-N 3.34Å; S489-S492 PolarHBondContact O-N 3.33Å; S489-S492 PolarHBondContact OG-N 3.19Å; S489-S492 VanDerWaalsContact OG-N 3.14Å; S489-S492 PolarHBondContact OG-OG 3.26Å; S489-K493 PolarHBondContact O-N 2.87Å
490E80.7Confident82.9Confident80 Ų8036 Ų3637%0.37420%0.197SC..Hα-helixtrans-63.2-39.8174.9-79.9-59.213200112.2N3 K493 H494N3-E490 PolarHBondContact ND2-N 3.02Å; N3-E490 PolarHBondContact ND2-OE1 3.13Å; N3-E490 PolarHBondContact OD1-OE1 3.06Å; E490-K493 WeakPolarHBondContact O-CB 3.38Å; E490-K493 PolarHBondContact O-N 3.41Å; E490-H494 PolarHBondContact O-N 2.96Å; E490-H494 PolarHBondContact O-ND1 2.81Å; E490-H494 IonicContact OE2-CE1 3.79Å; E490-H494 PolarHBondContact OE2-CE1 3.09Å; E490-H494 IonicContact OE2-ND1 2.8Å
491E81Confident83.3Confident20 Ų2037.1 Ų37.19%0.09319%0.189CC..Hα-helixtrans-60.7-49.8176.4165.6-128.5101.900110.8S489 K493 H494 E495 Y716 Y718 T775S489-E491 VanDerWaalsContact C-N 3.34Å; E491-K493 PolarHBondContact O-N 3.08Å; E491-H494 PolarHBondContact O-N 3.2Å; E491-H494 VanDerWaalsContact O-N 3.15Å; E491-E495 WeakPolarHBondContact O-CG 3.2Å; E491-E495 PolarHBondContact O-N 2.83Å; E491-Y716 HydrophobicContact CB-CD1 4.09Å; E491-Y716 HydrophobicContact CB-CD2 4.32Å; E491-Y716 HydrophobicContact CB-CE1 4.11Å; E491-Y716 HydrophobicContact CB-CE2 4.38Å; E491-Y716 HydrophobicContact CB-CG 4.18Å; E491-Y716 HydrophobicContact CG-CD1 3.85Å; E491-Y716 HydrophobicContact CG-CD2 4.03Å; E491-Y716 HydrophobicContact CG-CE1 4.38Å; E491-Y716 HydrophobicContact CG-CG 3.64Å; E491-Y718 HydrophobicContact CG-CE1 4.14Å; E491-Y718 WeakPolarHBondContact CG-OH 3.29Å; E491-Y718 WeakPolarHBondContact OE1-CE1 3.3Å; E491-Y718 PolarHBondContact OE1-OH 3.13Å; E491-T775 HydrophobicContact CG-CG2 3.78Å; E491-T775 WeakPolarHBondContact OE2-CB 3.47Å; E491-T775 WeakPolarHBondContact OE2-CG2 3.19Å; E491-T775 PolarHBondContact OE2-OG1 3.17Å
492S81.1Confident83.2Confident13 Ų1339.2 Ų39.29%0.09120%0.198CC..Hα-helixtrans-60.7-35177.2-44.10000112.4F32 S489 A496F32-S492 WeakPolarHBondContact O-CB 3.34Å; S489-S492 PolarHBondContact O-N 3.33Å; S489-S492 PolarHBondContact OG-N 3.19Å; S489-S492 VanDerWaalsContact OG-N 3.14Å; S489-S492 PolarHBondContact OG-OG 3.26Å; S492-A496 WeakPolarHBondContact O-CB 3.05Å; S492-A496 PolarHBondContact O-N 2.63Å
493K85.5Confident83.2Confident40 Ų4039.2 Ų39.217%0.17420%0.196CC..Hα-helixtrans-62.4-50.6173.6176.8-177.3164.6178.80111.8N3 K4 L5 C487 S489 E490 E491 A496 E497N3-K493 HydrophobicContact CB-CD 4.37Å; K4-K493 PolarHBondContact O-NZ 3.33Å; K4-K493 VanDerWaalsContact O-NZ 3.16Å; L5-K493 HydrophobicContact CB-CD 4.4Å; L5-K493 HydrophobicContact CB-CG 4.21Å; L5-K493 HydrophobicContact CD2-CG 4.48Å; C487-K493 HydrophobicContact CB-CB 3.8Å; C487-K493 VanDerWaalsContact SG-CA 3.56Å; S489-K493 PolarHBondContact O-N 2.87Å; E490-K493 WeakPolarHBondContact O-CB 3.38Å; E490-K493 PolarHBondContact O-N 3.41Å; E491-K493 PolarHBondContact O-N 3.08Å; K493-A496 PolarHBondContact O-N 2.65Å; K493-E497 WeakPolarHBondContact O-CB 3.4Å; K493-E497 PolarHBondContact O-N 2.91Å
494H83.6Confident82.8Confident55 Ų5539.6 Ų39.626%0.25520%0.198SC..Hα-helixtrans-65.7-41.3-178.6-72.876.1000111.7E490 E491 E497 R498 Y716E490-H494 PolarHBondContact O-N 2.96Å; E490-H494 PolarHBondContact O-ND1 2.81Å; E490-H494 IonicContact OE2-CE1 3.79Å; E490-H494 PolarHBondContact OE2-CE1 3.09Å; E490-H494 IonicContact OE2-ND1 2.8Å; E491-H494 PolarHBondContact O-N 3.2Å; E491-H494 VanDerWaalsContact O-N 3.15Å; H494-E497 PolarHBondContact O-N 3.19Å; H494-R498 VanDerWaalsContact O-CB 3.26Å; H494-R498 WeakPolarHBondContact O-CB 3.42Å; H494-R498 PolarHBondContact O-N 3.06Å; H494-Y716 HydrophobicContact CB-CE2 3.99Å
495E81.6Confident82.5Confident19 Ų1943.3 Ų43.39%0.08921%0.214CC..Hα-helixtrans-66.5-42.3177.4-68.1-60.315600111.8F32 E491 R498 W499 Y716F32-E495 HydrophobicContact CD1-CB 4.02Å; F32-E495 HydrophobicContact CE1-CB 4.03Å; E491-E495 WeakPolarHBondContact O-CG 3.2Å; E491-E495 PolarHBondContact O-N 2.83Å; E495-R498 PolarHBondContact O-N 3.33Å; E495-W499 VanDerWaalsContact O-CB 3.27Å; E495-W499 WeakPolarHBondContact O-CB 3.38Å; E495-W499 PolarHBondContact O-N 3.11Å; E495-Y716 HydrophobicContact CG-CD2 4.5Å; E495-Y716 PolarHBondContact OE1-N 2.62Å
496A85.7Confident81.9Confident0 Ų046.6 Ų46.60%023%0.234CC..Hα-helixtrans-63.5-43.7175.200000111.9F32 L485 S492 K493 W499 L500F32-A496 HydrophobicContact CB-CB 4.11Å; F32-A496 HydrophobicContact CD2-CB 3.79Å; F32-A496 HydrophobicContact CE2-CB 4.4Å; F32-A496 HydrophobicContact CG-CB 3.91Å; L485-A496 HydrophobicContact CD1-CB 4.01Å; S492-A496 WeakPolarHBondContact O-CB 3.05Å; S492-A496 PolarHBondContact O-N 2.63Å; K493-A496 PolarHBondContact O-N 2.65Å; A496-W499 PolarHBondContact O-N 3.33Å; A496-L500 WeakPolarHBondContact O-CB 3.09Å; A496-L500 VanDerWaalsContact O-CG 3.24Å; A496-L500 WeakPolarHBondContact O-CG 3.24Å; A496-L500 PolarHBondContact O-N 2.98Å
497E87.5Confident81.2Confident54 Ų5449 Ų4925%0.25224%0.244SC..Hα-helixtrans-58.8-51.3175.6-175.7169-164.500111.6L5 K493 H494 W499 L500 Q501L5-E497 HydrophobicContact CD2-CB 3.54Å; L5-E497 HydrophobicContact CD2-CG 3.74Å; K493-E497 WeakPolarHBondContact O-CB 3.4Å; K493-E497 PolarHBondContact O-N 2.91Å; H494-E497 PolarHBondContact O-N 3.19Å; E497-W499 PolarHBondContact O-N 2.8Å; E497-L500 PolarHBondContact O-N 3.44Å; E497-Q501 WeakPolarHBondContact O-CG 3.38Å; E497-Q501 PolarHBondContact O-N 2.84Å
498R84.4Confident81.1Confident91 Ų9150.8 Ų50.834%0.34326%0.257SS..Hα-helixtrans-62.5-43.1-179.5-173.1-176.7-172.3111.710111.8H494 E495 L500 Q501 N502 G713H494-R498 VanDerWaalsContact O-CB 3.26Å; H494-R498 WeakPolarHBondContact O-CB 3.42Å; H494-R498 PolarHBondContact O-N 3.06Å; E495-R498 PolarHBondContact O-N 3.33Å; R498-L500 VanDerWaalsContact C-N 3.33Å; R498-L500 PolarHBondContact O-N 2.06Å; R498-Q501 PolarHBondContact O-N 2.85Å; R498-N502 WeakPolarHBondContact O-CB 3.01Å; R498-N502 VanDerWaalsContact O-CG 3.28Å; R498-N502 PolarHBondContact O-N 2.81Å; R498-N502 PolarHBondContact O-ND2 2.99Å; R498-G713 PolarHBondContact NE-O 3.48Å; R498-G713 PolarHBondContact NH2-O 3.2Å
499W86.7Confident81.5Confident28 Ų2851.1 Ų51.111%0.10625%0.25CS..Hα-helixtrans-63-41.6176.9-17691.7000111.2L24 I27 F32 E495 A496 E497 N502 R503 L565 E568L24-W499 HydrophobicContact CD1-CH2 4.31Å; L24-W499 HydrophobicContact CD1-CZ3 3.84Å; I27-W499 HydrophobicContact CB-CH2 4.24Å; I27-W499 HydrophobicContact CD1-CH2 4.3Å; I27-W499 HydrophobicContact CG2-CH2 3.41Å; I27-W499 VanDerWaalsContact CG2-CH2 3.41Å; I27-W499 HydrophobicContact CG2-CZ2 3.63Å; I27-W499 HydrophobicContact CG2-CZ3 4.12Å; F32-W499 HydrophobicContact CE1-CB 4.42Å; F32-W499 HydrophobicContact CE2-CB 3.9Å; F32-W499 AromaticContact CE2-CD2 3.98Å; F32-W499 HydrophobicContact CE2-CD2 3.98Å; F32-W499 HydrophobicContact CE2-CE3 4.16Å; F32-W499 AromaticContact CE2-CG 3.88Å; F32-W499 HydrophobicContact CE2-CG 3.88Å; F32-W499 HydrophobicContact CZ-CB 3.47Å; F32-W499 VanDerWaalsContact CZ-CB 3.47Å; F32-W499 AromaticContact CZ-CD1 3.91Å; F32-W499 HydrophobicContact CZ-CD2 4.1Å; F32-W499 AromaticContact CZ-CG 3.53Å; F32-W499 HydrophobicContact CZ-CG 3.53Å; E495-W499 VanDerWaalsContact O-CB 3.27Å; E495-W499 WeakPolarHBondContact O-CB 3.38Å; E495-W499 PolarHBondContact O-N 3.11Å; A496-W499 PolarHBondContact O-N 3.33Å; E497-W499 PolarHBondContact O-N 2.8Å; W499-N502 PolarHBondContact O-N 3.21Å; W499-R503 HydrophobicContact CD2-CG 3.93Å; W499-R503 HydrophobicContact CE3-CG 4.2Å; W499-R503 HydrophobicContact CH2-CG 4.04Å; W499-R503 HydrophobicContact CZ2-CG 3.76Å; W499-R503 HydrophobicContact CZ3-CB 4.48Å; W499-R503 HydrophobicContact CZ3-CG 4.24Å; W499-R503 WeakPolarHBondContact O-CB 3.32Å; W499-R503 VanDerWaalsContact O-CG 3.29Å; W499-R503 WeakPolarHBondContact O-CG 3.3Å; W499-R503 PolarHBondContact O-N 2.76Å; W499-L565 HydrophobicContact CH2-CD2 3.5Å; W499-L565 HydrophobicContact CZ2-CD2 4.32Å; W499-L565 HydrophobicContact CZ3-CD2 4.16Å; W499-E568 HydrophobicContact CZ2-CB 4.43Å; W499-E568 HydrophobicContact CZ2-CG 4.16Å
500L88.2Confident82Confident0 Ų051.5 Ų51.50%025%0.253CS..Hα-helixtrans-64.4-41.7175.1-73.2168.1000112.2I7 L24 I28 L485 A496 E497 R498 N502 R503 L504I7-L500 HydrophobicContact CD1-CB 4.38Å; I7-L500 HydrophobicContact CD1-CD1 3.64Å; L24-L500 HydrophobicContact CD1-CD2 3.62Å; L24-L500 HydrophobicContact CD2-CD2 4.23Å; L24-L500 HydrophobicContact CG-CD2 4.17Å; I28-L500 HydrophobicContact CD1-CD1 4.01Å; I28-L500 HydrophobicContact CD1-CD2 3.92Å; I28-L500 HydrophobicContact CD1-CG 4.41Å; I28-L500 HydrophobicContact CG1-CD2 4.27Å; L485-L500 HydrophobicContact CD1-CD1 3.75Å; L485-L500 HydrophobicContact CD2-CD1 4.46Å; A496-L500 WeakPolarHBondContact O-CB 3.09Å; A496-L500 VanDerWaalsContact O-CG 3.24Å; A496-L500 WeakPolarHBondContact O-CG 3.24Å; A496-L500 PolarHBondContact O-N 2.98Å; E497-L500 PolarHBondContact O-N 3.44Å; R498-L500 VanDerWaalsContact C-N 3.33Å; R498-L500 PolarHBondContact O-N 2.06Å; L500-N502 VanDerWaalsContact C-N 3.32Å; L500-N502 PolarHBondContact O-N 2.97Å; L500-R503 PolarHBondContact O-N 2.58Å; L500-L504 HydrophobicContact CB-CD1 4.47Å; L500-L504 HydrophobicContact CD2-CD1 3.75Å; L500-L504 HydrophobicContact CD2-CG 4.31Å; L500-L504 WeakPolarHBondContact O-CB 3.22Å; L500-L504 PolarHBondContact O-N 2.64Å
501Q85.1Confident82.3Confident96 Ų9648.5 Ų48.545%0.44924%0.241SC..Hα-helixtrans-57.4-45.7172.6-72.9177.21.900111.5E497 R498 R503 F505 T506E497-Q501 WeakPolarHBondContact O-CG 3.38Å; E497-Q501 PolarHBondContact O-N 2.84Å; R498-Q501 PolarHBondContact O-N 2.85Å; Q501-R503 VanDerWaalsContact C-N 3.25Å; Q501-R503 PolarHBondContact O-N 3.25Å; Q501-F505 CarbonylContact O-C 3.58Å; Q501-F505 PolarHBondContact O-N 2.82Å; Q501-T506 PolarHBondContact O-N 2.89Å; Q501-T506 PolarHBondContact O-OG1 3.38Å
502N83.1Confident82.7Confident82 Ų8253.4 Ų53.444%0.43926%0.258SS..Hα-helixtrans-69.8-16.6179.2-71.2-19.8000114.5R498 W499 L500 T506R498-N502 WeakPolarHBondContact O-CB 3.01Å; R498-N502 VanDerWaalsContact O-CG 3.28Å; R498-N502 PolarHBondContact O-N 2.81Å; R498-N502 PolarHBondContact O-ND2 2.99Å; W499-N502 PolarHBondContact O-N 3.21Å; L500-N502 VanDerWaalsContact C-N 3.32Å; L500-N502 PolarHBondContact O-N 2.97Å; N502-T506 VanDerWaalsContact C-OG1 3.22Å; N502-T506 WeakPolarHBondContact CA-OG1 3.25Å; N502-T506 PolarHBondContact O-OG1 3.01Å
503R84.6Confident83Confident42 Ų4252.9 Ų52.916%0.15825%0.254CS..Hα-helixtrans-108.5-39.1-176.8-70.5-68.9-173.7-96.53113.7W499 L500 Q501 L565 E568W499-R503 HydrophobicContact CD2-CG 3.93Å; W499-R503 HydrophobicContact CE3-CG 4.2Å; W499-R503 HydrophobicContact CH2-CG 4.04Å; W499-R503 HydrophobicContact CZ2-CG 3.76Å; W499-R503 HydrophobicContact CZ3-CB 4.48Å; W499-R503 HydrophobicContact CZ3-CG 4.24Å; W499-R503 WeakPolarHBondContact O-CB 3.32Å; W499-R503 VanDerWaalsContact O-CG 3.29Å; W499-R503 WeakPolarHBondContact O-CG 3.3Å; W499-R503 PolarHBondContact O-N 2.76Å; L500-R503 PolarHBondContact O-N 2.58Å; Q501-R503 VanDerWaalsContact C-N 3.25Å; Q501-R503 PolarHBondContact O-N 3.25Å; R503-L565 HydrophobicContact CB-CD2 4.35Å; R503-E568 IonicContact CZ-OE1 3.43Å; R503-E568 IonicContact NE-OE1 3.52Å; R503-E568 IonicContact NH2-OE1 3.89Å; R503-E568 PolarHBondContact NH2-OE1 2.81Å
504L79.4Confident83Confident8 Ų856.8 Ų56.84%0.04227%0.269CS..Hα-helixtrans-99.1-23.3-174.3-60.9179.9000113.4I16 V17 L24 I483 L500 L565I16-L504 HydrophobicContact CB-CD2 4.28Å; I16-L504 HydrophobicContact CG2-CD2 3.54Å; V17-L504 HydrophobicContact CG2-CD1 4.05Å; V17-L504 HydrophobicContact CG2-CD2 4.26Å; L24-L504 HydrophobicContact CD2-CD1 4.03Å; L24-L504 HydrophobicContact CD2-CD2 4.5Å; I483-L504 HydrophobicContact CD1-CD1 3.84Å; L500-L504 HydrophobicContact CB-CD1 4.47Å; L500-L504 HydrophobicContact CD2-CD1 3.75Å; L500-L504 HydrophobicContact CD2-CG 4.31Å; L500-L504 WeakPolarHBondContact O-CB 3.22Å; L500-L504 PolarHBondContact O-N 2.64Å; L504-L565 HydrophobicContact CD2-CD1 4.01Å
505F75.8Confident83.2Confident85 Ų8554.4 Ų54.437%0.37326%0.258SS..SBendtrans-125.311.4-169.1-57.5-86.8000113.3I7 L9 S13 Q501I7-F505 HydrophobicContact CG2-CE2 3.96Å; I7-F505 HydrophobicContact CG2-CZ 3.84Å; L9-F505 HydrophobicContact CD2-CZ 4.36Å; S13-F505 VanDerWaalsContact CB-CE1 3.5Å; S13-F505 VanDerWaalsContact OG-CE1 3.29Å; S13-F505 WeakPolarHBondContact OG-CE1 3.45Å; Q501-F505 CarbonylContact O-C 3.58Å; Q501-F505 PolarHBondContact O-N 2.82Å
506T70.7Confident83.6Confident68 Ų6854.4 Ų54.442%0.41726%0.258SS..  trans-86.4134.2179.9-66.50000111.6Q501 N502 S508Q501-T506 PolarHBondContact O-N 2.89Å; Q501-T506 PolarHBondContact O-OG1 3.38Å; N502-T506 VanDerWaalsContact C-OG1 3.22Å; N502-T506 WeakPolarHBondContact CA-OG1 3.25Å; N502-T506 PolarHBondContact O-OG1 3.01Å; T506-S508 PolarHBondContact O-N 3.37Å; T506-S508 VanDerWaalsContact O-N 3.15Å
507D67.7Low83.7Confident126 Ų12654.4 Ų54.467%0.67426%0.258SS*.  trans-79.616.3-179-88-44.2000115.2K557D507-K557 WeakPolarHBondContact O-CE 3.31Å; D507-K557 PolarHBondContact O-NZ 2.98Å; D507-K557 IonicContact OD1-NZ 2.94Å; D507-K557 PolarHBondContact OD1-NZ 3.2Å
508S76.9Confident83.8Confident50 Ų5052.2 Ų52.235%0.3525%0.248SC..  trans-87.5138.6-173.8-173.80000112T506 S510T506-S508 PolarHBondContact O-N 3.37Å; T506-S508 VanDerWaalsContact O-N 3.15Å; S508-S510 WeakPolarHBondContact CB-O 3.39Å; S508-S510 PolarHBondContact O-N 2.72Å; S508-S510 PolarHBondContact OG-N 3.5Å; S508-S510 VanDerWaalsContact OG-N 3.09Å; S508-S510 PolarHBondContact OG-O 2.92Å
509H84.1Confident83.7Confident97 Ų9752 Ų5245%0.44926%0.261SS..SBendtrans-84.710.9168.4-67.488.5000112.5N553 G554 K557H509-N553 WeakPolarHBondContact O-CA 3.44Å; H509-G554 WeakPolarHBondContact CB-O 3.32Å; H509-G554 PolarHBondContact O-N 2.79Å; H509-G554 VanDerWaalsContact O-N 3.11Å; H509-K557 VanDerWaalsContact CE1-CE 3.45Å; H509-K557 WeakPolarHBondContact CE1-CE 3.4Å
510S87.7Confident83.5Confident28 Ų2854.1 Ų54.120%0.19627%0.272CS..EExtended strand (participates in β ladder)trans-141.2135.1-177.8-178.70000110.8S508 E551 I552 N553S508-S510 WeakPolarHBondContact CB-O 3.39Å; S508-S510 PolarHBondContact O-N 2.72Å; S508-S510 PolarHBondContact OG-N 3.5Å; S508-S510 VanDerWaalsContact OG-N 3.09Å; S508-S510 PolarHBondContact OG-O 2.92Å; S510-E551 PolarHBondContact OG-OE1 3.33Å; S510-I552 CarbonylContact C-O 3.56Å; S510-I552 VanDerWaalsContact CA-O 3.25Å; S510-I552 WeakPolarHBondContact CA-O 3.38Å; S510-N553 WeakPolarHBondContact CB-OD1 3.38Å; S510-N553 PolarHBondContact OG-OD1 2.79Å
511V88.4Confident83.2Confident17 Ų1754.9 Ų54.910%0.10328%0.275CS..EExtended strand (participates in β ladder)trans-121.2125.6170.71660000108.6I513 E551 I552 V560V511-I513 HydrophobicContact CG1-CD1 4.4Å; V511-I513 HydrophobicContact CG1-CG1 4.08Å; V511-E551 WeakPolarHBondContact O-CA 3.31Å; V511-I552 PolarHBondContact N-O 3.25Å; V511-I552 PolarHBondContact O-N 3.47Å; V511-V560 HydrophobicContact CB-CG1 3.97Å; V511-V560 HydrophobicContact CG2-CG1 3.68Å
512R88.6Confident82.6Confident122 Ų12252.7 Ų52.746%0.4627%0.271SS..EExtended strand (participates in β ladder)trans-108.2131.5172.2-69.5-177.5-171.9-167.6-8.4110.7Y514 E551R512-Y514 HydrophobicContact CB-CE2 4.01Å; R512-E551 HydrophobicContact CG-CB 4.04Å; R512-E551 HydrophobicContact CG-CG 3.74Å; R512-E551 IonicContact CZ-OE1 2.83Å; R512-E551 IonicContact CZ-OE2 3.32Å; R512-E551 VanDerWaalsContact CZ-OE2 3.28Å; R512-E551 IonicContact NE-OE1 3.53Å; R512-E551 PolarHBondContact NE-OE1 3.46Å; R512-E551 IonicContact NE-OE2 2.91Å; R512-E551 PolarHBondContact NE-OE2 3.08Å; R512-E551 VanDerWaalsContact NE-OE2 3.11Å; R512-E551 VanDerWaalsContact NH2-CD 3.31Å; R512-E551 IonicContact NH2-OE1 2.72Å; R512-E551 PolarHBondContact NH2-OE1 3.43Å; R512-E551 IonicContact NH2-OE2 2.67Å; R512-E551 PolarHBondContact NH2-OE2 2.93Å
513I87.4Confident81.6Confident3 Ų355.9 Ų55.92%0.01529%0.288CS..EExtended strand (participates in β ladder)trans-117.6125.1177.3-60.8169.3000107.5V511 N515 C549 L550 V567 E568 L571V511-I513 HydrophobicContact CG1-CD1 4.4Å; V511-I513 HydrophobicContact CG1-CG1 4.08Å; I513-N515 HydrophobicContact CG2-CB 4.37Å; I513-C549 VanDerWaalsContact O-CA 3.32Å; I513-C549 WeakPolarHBondContact O-CA 3.37Å; I513-C549 PolarHBondContact O-SG 2.72Å; I513-C549 VanDerWaalsContact O-SG 3.41Å; I513-L550 PolarHBondContact N-O 2.72Å; I513-L550 PolarHBondContact O-N 3.07Å; I513-V567 HydrophobicContact CD1-CB 3.7Å; I513-V567 HydrophobicContact CD1-CG1 3.5Å; I513-E568 HydrophobicContact CD1-CG 4.03Å; I513-L571 HydrophobicContact CG2-CD1 3.78Å
514Y85.5Confident80.6Confident122 Ų12259 Ų5948%0.47830%0.304SS..EExtended strand (participates in β ladder)trans-109.2110.4173.9-61.9-89.8000107.8R512 H547 C549R512-Y514 HydrophobicContact CB-CE2 4.01Å; Y514-H547 HydrophobicContact CD1-CB 4.37Å; Y514-C549 HydrophobicContact CD1-CB 4.1Å; Y514-C549 HydrophobicContact CE1-CB 4.15Å; Y514-C549 VanDerWaalsContact CE1-SG 3.57Å
515N88.1Confident80.1Confident5 Ų559.7 Ų59.73%0.02731%0.308CS..  trans-162.4116.7179.5-167.7-23.8000109.9I513 F517 L518 A548 L571 Q575I513-N515 HydrophobicContact CG2-CB 4.37Å; N515-F517 PolarHBondContact O-N 2.84Å; N515-F517 VanDerWaalsContact O-N 3.14Å; N515-F517 WeakPolarHBondContact OD1-CB 3.35Å; N515-F517 WeakPolarHBondContact OD1-CD2 3.27Å; N515-F517 PolarHBondContact OD1-N 2.92Å; N515-L518 VanDerWaalsContact O-CB 3.3Å; N515-L518 WeakPolarHBondContact O-CB 3.46Å; N515-L518 WeakPolarHBondContact O-CD1 3.23Å; N515-L518 WeakPolarHBondContact O-CG 3.37Å; N515-L518 PolarHBondContact O-N 3.3Å; N515-A548 PolarHBondContact N-O 2.86Å; N515-A548 VanDerWaalsContact N-O 3.1Å; N515-L571 HydrophobicContact CB-CD1 3.99Å; N515-L571 HydrophobicContact CB-CD2 4.23Å; N515-Q575 PolarHBondContact ND2-NE2 3.27Å
516N89.1Confident79.9Confident18 Ų1858.8 Ų58.810%0.09631%0.305CS..G310 helixtrans-66.6-16.8-178.8-75.916.7000113.4L518 S519 G546 H547 A548 E683 P686N516-L518 PolarHBondContact O-N 2.87Å; N516-S519 PolarHBondContact O-N 3.38Å; N516-S519 VanDerWaalsContact O-N 3.07Å; N516-S519 PolarHBondContact O-OG 2.96Å; N516-G546 PolarHBondContact ND2-O 3.1Å; N516-G546 PolarHBondContact OD1-O 2.83Å; N516-H547 VanDerWaalsContact OD1-CA 3.29Å; N516-H547 WeakPolarHBondContact OD1-CA 3.32Å; N516-A548 PolarHBondContact OD1-N 2.93Å; N516-E683 HydrophobicContact CB-CB 3.93Å; N516-E683 HydrophobicContact CB-CG 4.27Å; N516-P686 WeakPolarHBondContact ND2-CG 3.29Å
517F89.4Confident79.2Confident0 Ų060.6 Ų60.60%031%0.311CS..G310 helixtrans-65.3-7.7171.7-74.9-92.1000114.1N515 S519 H520 L571 I574 Q575 F578 F671 M674 E683N515-F517 PolarHBondContact O-N 2.84Å; N515-F517 VanDerWaalsContact O-N 3.14Å; N515-F517 WeakPolarHBondContact OD1-CB 3.35Å; N515-F517 WeakPolarHBondContact OD1-CD2 3.27Å; N515-F517 PolarHBondContact OD1-N 2.92Å; F517-S519 PolarHBondContact O-N 3.44Å; F517-H520 PolarHBondContact O-N 3.06Å; F517-H520 VanDerWaalsContact O-N 3.11Å; F517-L571 HydrophobicContact CB-CD2 3.95Å; F517-I574 HydrophobicContact CB-CG2 4.47Å; F517-I574 HydrophobicContact CD1-CG2 4.21Å; F517-Q575 HydrophobicContact CB-CG 4.14Å; F517-Q575 HydrophobicContact CD1-CG 3.81Å; F517-Q575 HydrophobicContact CD2-CG 3.93Å; F517-Q575 HydrophobicContact CE1-CG 4.2Å; F517-Q575 HydrophobicContact CE2-CG 4.31Å; F517-Q575 HydrophobicContact CG-CG 3.66Å; F517-Q575 HydrophobicContact CZ-CG 4.44Å; F517-F578 HydrophobicContact CE1-CB 4.04Å; F517-F578 AromaticContact CE1-CD1 3.69Å; F517-F578 HydrophobicContact CE1-CD1 3.69Å; F517-F578 HydrophobicContact CE1-CD2 4.15Å; F517-F578 HydrophobicContact CE1-CE1 4.15Å; F517-F578 AromaticContact CE1-CG 3.69Å; F517-F578 HydrophobicContact CE1-CG 3.69Å; F517-F578 HydrophobicContact CZ-CD1 4.03Å; F517-F578 HydrophobicContact CZ-CE1 4.21Å; F517-F578 HydrophobicContact CZ-CG 4.48Å; F517-F671 AromaticContact CD2-CE1 3.84Å; F517-F671 HydrophobicContact CD2-CE1 3.84Å; F517-F671 HydrophobicContact CD2-CZ 4.13Å; F517-F671 HydrophobicContact CE2-CD1 4.4Å; F517-F671 AromaticContact CE2-CE1 3.57Å; F517-F671 HydrophobicContact CE2-CE1 3.57Å; F517-F671 HydrophobicContact CE2-CZ 4.18Å; F517-M674 HydrophobicContact CE1-CE 4.14Å; F517-M674 HydrophobicContact CE2-CE 3.96Å; F517-M674 HydrophobicContact CE2-SD 3.95Å; F517-M674 HydrophobicContact CZ-CE 3.54Å; F517-M674 HydrophobicContact CZ-SD 3.6Å; F517-M674 VanDerWaalsContact CZ-SD 3.6Å; F517-E683 HydrophobicContact CD2-CB 4.15Å; F517-E683 HydrophobicContact CE2-CB 3.73Å; F517-E683 HydrophobicContact CZ-CB 4.09Å
518L88.3Confident78.9Confident8 Ų858.7 Ų58.74%0.04230%0.298CS..G310 helixtrans-56.9-29.1166.7-70.6167.9000112.1N515 N516 H520 F521 A548 L550 V567 L571N515-L518 VanDerWaalsContact O-CB 3.3Å; N515-L518 WeakPolarHBondContact O-CB 3.46Å; N515-L518 WeakPolarHBondContact O-CD1 3.23Å; N515-L518 WeakPolarHBondContact O-CG 3.37Å; N515-L518 PolarHBondContact O-N 3.3Å; N516-L518 PolarHBondContact O-N 2.87Å; L518-H520 PolarHBondContact O-N 3.15Å; L518-F521 HydrophobicContact CD2-CD2 4.48Å; L518-F521 HydrophobicContact CD2-CE1 3.93Å; L518-F521 HydrophobicContact CD2-CE2 3.66Å; L518-F521 HydrophobicContact CD2-CZ 3.41Å; L518-F521 VanDerWaalsContact CD2-CZ 3.41Å; L518-F521 WeakPolarHBondContact O-CB 3.48Å; L518-F521 WeakPolarHBondContact O-CG 3.38Å; L518-F521 PolarHBondContact O-N 3.41Å; L518-A548 HydrophobicContact CB-CB 3.94Å; L518-A548 HydrophobicContact CD1-CB 4.15Å; L518-L550 HydrophobicContact CD1-CB 3.77Å; L518-L550 HydrophobicContact CD2-CB 4.03Å; L518-L550 HydrophobicContact CD2-CD1 3.88Å; L518-V567 HydrophobicContact CD2-CG1 4.36Å; L518-L571 HydrophobicContact CD2-CD1 4.23Å; L518-L571 HydrophobicContact CD2-CD2 4.03Å; L518-L571 HydrophobicContact CD2-CG 4.43Å; L518-L571 HydrophobicContact CG-CD2 4.13Å
519S83.8Confident78.4Confident88 Ų8857.2 Ų57.262%0.61529%0.286SS*.G310 helixtrans-69.2-10.6176.962.70000114.3N516 F517N516-S519 PolarHBondContact O-N 3.38Å; N516-S519 VanDerWaalsContact O-N 3.07Å; N516-S519 PolarHBondContact O-OG 2.96Å; F517-S519 PolarHBondContact O-N 3.44Å
520H82.3Confident77.2Confident71 Ų7155.1 Ų55.133%0.32929%0.286SS..G310 helixtrans-97.89.4178.3-64.4-98.9000112.7F517 L518 S522 I574 F578F517-H520 PolarHBondContact O-N 3.06Å; F517-H520 VanDerWaalsContact O-N 3.11Å; L518-H520 PolarHBondContact O-N 3.15Å; H520-S522 PolarHBondContact O-N 3.4Å; H520-I574 HydrophobicContact CB-CG2 3.66Å; H520-F578 AromaticContact CE1-CE2 3.94Å
521F81.7Confident75.5Confident16 Ų1658.2 Ų58.27%0.0730%0.299CS..  trans-64.2131.1176.1-80.920.2000109.9L518 D525 H526 L529 L550 V567 V570 L571 I574L518-F521 HydrophobicContact CD2-CD2 4.48Å; L518-F521 HydrophobicContact CD2-CE1 3.93Å; L518-F521 HydrophobicContact CD2-CE2 3.66Å; L518-F521 HydrophobicContact CD2-CZ 3.41Å; L518-F521 VanDerWaalsContact CD2-CZ 3.41Å; L518-F521 WeakPolarHBondContact O-CB 3.48Å; L518-F521 WeakPolarHBondContact O-CG 3.38Å; L518-F521 PolarHBondContact O-N 3.41Å; F521-D525 HydrophobicContact CB-CB 4.28Å; F521-D525 HydrophobicContact CG-CB 4.34Å; F521-H526 VanDerWaalsContact CB-CE1 3.5Å; F521-H526 WeakPolarHBondContact CB-CE1 3.42Å; F521-H526 VanDerWaalsContact CB-NE2 3.3Å; F521-H526 WeakPolarHBondContact CB-NE2 3.25Å; F521-H526 AromaticContact CD2-CE1 3.93Å; F521-L529 HydrophobicContact CD2-CD1 3.63Å; F521-L529 HydrophobicContact CE2-CD1 3.31Å; F521-L529 HydrophobicContact CZ-CD1 4.41Å; F521-L550 HydrophobicContact CE2-CD1 4.25Å; F521-V567 HydrophobicContact CZ-CG1 4.3Å; F521-V570 HydrophobicContact CE1-CG1 4.01Å; F521-V570 HydrophobicContact CZ-CG1 4.11Å; F521-L571 HydrophobicContact CE1-CD2 3.67Å; F521-L571 HydrophobicContact CE1-CG 4.06Å; F521-L571 HydrophobicContact CZ-CD2 4.14Å; F521-L571 HydrophobicContact CZ-CG 4.16Å; F521-I574 HydrophobicContact CD1-CD1 3.3Å; F521-I574 HydrophobicContact CE1-CD1 3.51Å; F521-I574 HydrophobicContact CG-CD1 4.39Å
522S71.7Confident73.7Confident51 Ų5159.2 Ų59.236%0.35731%0.307SS..  trans-81.2163.9173.669.30000111.1H520 H524 D525 H526H520-S522 PolarHBondContact O-N 3.4Å; S522-H524 PolarHBondContact O-N 2.92Å; S522-H524 VanDerWaalsContact O-N 3.08Å; S522-H524 PolarHBondContact OG-N 2.98Å; S522-D525 WeakPolarHBondContact CB-OD2 3.45Å; S522-D525 PolarHBondContact N-OD2 3.1Å; S522-D525 WeakPolarHBondContact O-CA 3.31Å; S522-D525 PolarHBondContact O-N 2.93Å; S522-D525 PolarHBondContact OG-N 2.86Å; S522-D525 PolarHBondContact OG-OD2 2.94Å; S522-H526 PolarHBondContact O-CD2 2.89Å; S522-H526 VanDerWaalsContact O-CD2 3.25Å; S522-H526 PolarHBondContact O-N 3.3Å
523D62Low72Confident149 Ų14954.7 Ų54.780%0.79730%0.296SS*.Hα-helixtrans-52.5-33.2171.7-67.6-21.6000112.2L527D523-L527 VanDerWaalsContact O-CB 3.25Å; D523-L527 WeakPolarHBondContact O-CB 3.28Å; D523-L527 PolarHBondContact O-N 2.63Å
524H63.4Low70.4Confident106 Ų10662.3 Ų62.349%0.49133%0.331SS..Hα-helixtrans-69.4-39.4175.5169-88.1000112.3S522 L527 Q528S522-H524 PolarHBondContact O-N 2.92Å; S522-H524 VanDerWaalsContact O-N 3.08Å; S522-H524 PolarHBondContact OG-N 2.98Å; H524-L527 PolarHBondContact O-N 2.76Å; H524-Q528 PolarHBondContact CE1-NE2 3.21Å; H524-Q528 PolarHBondContact NE2-NE2 2.8Å; H524-Q528 WeakPolarHBondContact O-CG 3.3Å; H524-Q528 PolarHBondContact O-N 3.21Å
525D70.6Confident69.2Low24 Ų2463.3 Ų63.313%0.12834%0.338CS..Hα-helixtrans-69.9-43.1179.6-54.7-42000110.4F521 S522 L527 Q528 L529 V570F521-D525 HydrophobicContact CB-CB 4.28Å; F521-D525 HydrophobicContact CG-CB 4.34Å; S522-D525 WeakPolarHBondContact CB-OD2 3.45Å; S522-D525 PolarHBondContact N-OD2 3.1Å; S522-D525 WeakPolarHBondContact O-CA 3.31Å; S522-D525 PolarHBondContact O-N 2.93Å; S522-D525 PolarHBondContact OG-N 2.86Å; S522-D525 PolarHBondContact OG-OD2 2.94Å; D525-L527 VanDerWaalsContact C-N 3.31Å; D525-L527 PolarHBondContact O-N 3.04Å; D525-Q528 PolarHBondContact O-N 3.4Å; D525-L529 VanDerWaalsContact O-CG 3.32Å; D525-L529 WeakPolarHBondContact O-CG 3.35Å; D525-L529 PolarHBondContact O-N 3.45Å; D525-V570 HydrophobicContact CB-CG1 4.36Å
526H69.9Low68.3Low66 Ų6665.9 Ų65.931%0.30637%0.366SS..Hα-helixtrans-60.8-39.3171.4-67.9-66.5000112F521 S522 Q528 L529 A530 E541F521-H526 VanDerWaalsContact CB-CE1 3.5Å; F521-H526 WeakPolarHBondContact CB-CE1 3.42Å; F521-H526 VanDerWaalsContact CB-NE2 3.3Å; F521-H526 WeakPolarHBondContact CB-NE2 3.25Å; F521-H526 AromaticContact CD2-CE1 3.93Å; S522-H526 PolarHBondContact O-CD2 2.89Å; S522-H526 VanDerWaalsContact O-CD2 3.25Å; S522-H526 PolarHBondContact O-N 3.3Å; H526-Q528 PolarHBondContact O-N 3.33Å; H526-L529 PolarHBondContact O-N 3Å; H526-A530 WeakPolarHBondContact O-CB 3.42Å; H526-A530 PolarHBondContact O-N 3.04Å; H526-E541 IonicContact CE1-OE1 3.11Å; H526-E541 IonicContact CE1-OE2 3.25Å; H526-E541 PolarHBondContact CE1-OE2 3Å; H526-E541 VanDerWaalsContact CE1-OE2 3.27Å; H526-E541 IonicContact ND1-OE1 3.28Å; H526-E541 PolarHBondContact ND1-OE1 3.44Å; H526-E541 VanDerWaalsContact ND1-OE1 3.17Å; H526-E541 IonicContact ND1-OE2 3.08Å
527L56.9Low68Low105 Ų10565.8 Ų65.855%0.5537%0.366SS..Hα-helixtrans-65.2-38.4175.6-172.168.6000112.1D523 H524 D525 L529 A530 I531D523-L527 VanDerWaalsContact O-CB 3.25Å; D523-L527 WeakPolarHBondContact O-CB 3.28Å; D523-L527 PolarHBondContact O-N 2.63Å; H524-L527 PolarHBondContact O-N 2.76Å; D525-L527 VanDerWaalsContact C-N 3.31Å; D525-L527 PolarHBondContact O-N 3.04Å; L527-L529 VanDerWaalsContact C-N 3.32Å; L527-L529 PolarHBondContact O-N 2.96Å; L527-A530 PolarHBondContact O-N 3.21Å; L527-I531 HydrophobicContact CG-CD1 4.12Å; L527-I531 WeakPolarHBondContact O-CD1 3.42Å; L527-I531 WeakPolarHBondContact O-CG1 3.49Å; L527-I531 PolarHBondContact O-N 2.88Å
528Q62Low67.7Low87 Ų8770.6 Ų70.641%0.40739%0.39SS..Hα-helixtrans-65.2-35.6174.6-75.5-161.2-3.900112.7H524 D525 H526 S532H524-Q528 PolarHBondContact CE1-NE2 3.21Å; H524-Q528 PolarHBondContact NE2-NE2 2.8Å; H524-Q528 WeakPolarHBondContact O-CG 3.3Å; H524-Q528 PolarHBondContact O-N 3.21Å; D525-Q528 PolarHBondContact O-N 3.4Å; H526-Q528 PolarHBondContact O-N 3.33Å; Q528-S532 PolarHBondContact O-N 2.92Å; Q528-S532 PolarHBondContact O-OG 2.63Å
529L65.7Low67.6Low18 Ų1872.4 Ų72.49%0.09440%0.401CS..Hα-helixtrans-69.7-41.9174.8-65.5168.6000111.4F521 D525 H526 L527 I531 S532 A533 L550 V567F521-L529 HydrophobicContact CD2-CD1 3.63Å; F521-L529 HydrophobicContact CE2-CD1 3.31Å; F521-L529 HydrophobicContact CZ-CD1 4.41Å; D525-L529 VanDerWaalsContact O-CG 3.32Å; D525-L529 WeakPolarHBondContact O-CG 3.35Å; D525-L529 PolarHBondContact O-N 3.45Å; H526-L529 PolarHBondContact O-N 3Å; L527-L529 VanDerWaalsContact C-N 3.32Å; L527-L529 PolarHBondContact O-N 2.96Å; L529-I531 PolarHBondContact O-N 3.04Å; L529-S532 CarbonylContact O-C 3.47Å; L529-S532 WeakPolarHBondContact O-CA 3.27Å; L529-S532 WeakPolarHBondContact O-CB 3.13Å; L529-S532 PolarHBondContact O-N 2.86Å; L529-S532 VanDerWaalsContact O-N 3.1Å; L529-A533 PolarHBondContact O-N 3.07Å; L529-L550 HydrophobicContact CD1-CD1 4.36Å; L529-V567 HydrophobicContact CD2-CG2 3.46Å; L529-V567 VanDerWaalsContact CD2-CG2 3.46Å
530A57.7Low67.7Low54 Ų5473.1 Ų73.145%0.44640%0.395SS..Hα-helixtrans-60.9-42.9174.100000112.2H526 L527 S532 A533 E534H526-A530 WeakPolarHBondContact O-CB 3.42Å; H526-A530 PolarHBondContact O-N 3.04Å; L527-A530 PolarHBondContact O-N 3.21Å; A530-S532 VanDerWaalsContact C-N 3.27Å; A530-S532 PolarHBondContact O-N 3.04Å; A530-A533 WeakPolarHBondContact O-CB 3.47Å; A530-A533 PolarHBondContact O-N 3.18Å; A530-A533 VanDerWaalsContact O-N 3.09Å; A530-E534 PolarHBondContact O-N 3.5Å
531I51.9Low67.9Low93 Ų9374 Ų7448%0.47740%0.399SS..Hα-helixtrans-63.9-34174.5-68.6163.6000111.3L527 L529 A533 E534L527-I531 HydrophobicContact CG-CD1 4.12Å; L527-I531 WeakPolarHBondContact O-CD1 3.42Å; L527-I531 WeakPolarHBondContact O-CG1 3.49Å; L527-I531 PolarHBondContact O-N 2.88Å; L529-I531 PolarHBondContact O-N 3.04Å; I531-A533 VanDerWaalsContact C-N 3.3Å; I531-E534 PolarHBondContact O-N 2.92Å
532S51.8Low68.1Low38 Ų3876.9 Ų76.927%0.26641%0.412SS..Hα-helixtrans-71.8-25.9175.2-59.40000112.4Q528 L529 A530Q528-S532 PolarHBondContact O-N 2.92Å; Q528-S532 PolarHBondContact O-OG 2.63Å; L529-S532 CarbonylContact O-C 3.47Å; L529-S532 WeakPolarHBondContact O-CA 3.27Å; L529-S532 WeakPolarHBondContact O-CB 3.13Å; L529-S532 PolarHBondContact O-N 2.86Å; L529-S532 VanDerWaalsContact O-N 3.1Å; A530-S532 VanDerWaalsContact C-N 3.27Å; A530-S532 PolarHBondContact O-N 3.04Å
533A53.3Low68.7Low27 Ų2780.8 Ų80.822%0.22342%0.423CS..Hα-helixtrans-73.9-19.2176.300000114.1L529 A530 I531 K535 G536 L537 V539L529-A533 PolarHBondContact O-N 3.07Å; A530-A533 WeakPolarHBondContact O-CB 3.47Å; A530-A533 PolarHBondContact O-N 3.18Å; A530-A533 VanDerWaalsContact O-N 3.09Å; I531-A533 VanDerWaalsContact C-N 3.3Å; A533-K535 PolarHBondContact O-N 3.39Å; A533-G536 PolarHBondContact O-N 3.47Å; A533-L537 PolarHBondContact O-N 3.36Å; A533-V539 HydrophobicContact CB-CG2 4.34Å
534E53.5Low69.4Low163 Ų16376.4 Ų76.476%0.76240%0.404SS*.THydrogen-bonded Turntrans-62.7-1.3178.3-67.3-176.2166.300114.6A530 I531A530-E534 PolarHBondContact O-N 3.5Å; I531-E534 PolarHBondContact O-N 2.92Å
535K59.6Low69.9Low142 Ų14277.1 Ų77.162%0.61741%0.405SS*.THydrogen-bonded Turntrans-98.417.3175.5-65.7-172.4175.4-170.80114.9A533A533-K535 PolarHBondContact O-N 3.39Å
536G70.4Confident70Confident60 Ų6076.2 Ų76.262%0.61940%0.402SS*.THydrogen-bonded Turntrans83.324.7-178.300000113.9A533A533-G536 PolarHBondContact O-N 3.47Å
537L81.4Confident70.5Confident16 Ų1674.5 Ų74.58%0.08439%0.394CS..EExtended strand (participates in β ladder)trans-96.3142.6169.9-61175.8000109.3A533 N553 E559 V560 A563A533-L537 PolarHBondContact O-N 3.36Å; L537-N553 CarbonylContact C-O 3.52Å; L537-N553 WeakPolarHBondContact CA-O 3.3Å; L537-E559 HydrophobicContact CD1-CB 4.49Å; L537-E559 HydrophobicContact CD2-CB 4.04Å; L537-V560 HydrophobicContact CD2-CG2 3.73Å; L537-A563 HydrophobicContact CD1-CB 3.65Å
538I83.1Confident71.9Confident101 Ų10170 Ų7052%0.51837%0.372SS..EExtended strand (participates in β ladder)trans-106.7117.8172.8-58.2172000106.7E540 I552 N553I538-E540 HydrophobicContact CG2-CG 4.07Å; I538-I552 CarbonylContact O-C 3.56Å; I538-I552 WeakPolarHBondContact O-CA 3.38Å; I538-N553 HydrophobicContact CB-CB 4.37Å; I538-N553 PolarHBondContact N-O 2.98Å; I538-N553 PolarHBondContact O-N 2.97Å
539V85.9Confident73.2Confident45 Ų4566 Ų6627%0.27335%0.354SS..EExtended strand (participates in β ladder)trans-109.8118.5176.6-176.90000107.9A533 L550 E551 I552A533-V539 HydrophobicContact CB-CG2 4.34Å; V539-L550 HydrophobicContact CG1-CD1 4.17Å; V539-L550 HydrophobicContact CG1-CD2 3.86Å; V539-L550 HydrophobicContact CG1-CG 3.95Å; V539-E551 WeakPolarHBondContact CA-O 3.31Å; V539-I552 HydrophobicContact CG2-CG1 4.47Å; V539-I552 HydrophobicContact CG2-CG2 4.34Å
540E85.8Confident74.4Confident103 Ų10365.2 Ų65.248%0.48135%0.349SS..EExtended strand (participates in β ladder)trans-117.5120.6178-70.3-178.7169.300109.6I538 L550 E551I538-E540 HydrophobicContact CG2-CG 4.07Å; E540-L550 WeakPolarHBondContact O-CA 3.38Å; E540-E551 PolarHBondContact N-O 3.39Å; E540-E551 PolarHBondContact O-N 2.91Å
541E88.1Confident75.9Confident91 Ų9163.6 Ų63.643%0.42533%0.333SS..EExtended strand (participates in β ladder)trans-99.2129.4171.3-66.8179.6-15100108.8H526 C549 L550H526-E541 IonicContact CE1-OE1 3.11Å; H526-E541 IonicContact CE1-OE2 3.25Å; H526-E541 PolarHBondContact CE1-OE2 3Å; H526-E541 VanDerWaalsContact CE1-OE2 3.27Å; H526-E541 IonicContact ND1-OE1 3.28Å; H526-E541 PolarHBondContact ND1-OE1 3.44Å; H526-E541 VanDerWaalsContact ND1-OE1 3.17Å; H526-E541 IonicContact ND1-OE2 3.08Å; E541-C549 WeakPolarHBondContact CA-O 3.32Å; E541-L550 HydrophobicContact CG-CB 4.44Å; E541-L550 HydrophobicContact CG-CD1 3.89Å; E541-L550 HydrophobicContact CG-CG 4.02Å
542F86Confident77.7Confident75 Ų7559.2 Ų59.233%0.32931%0.31SS..EExtended strand (participates in β ladder)trans-148.4154.4176.961.2-90000111.3C549 E551F542-C549 HydrophobicContact CD1-CB 4.48Å; F542-C549 HydrophobicContact CD2-CB 3.97Å; F542-C549 HydrophobicContact CE1-CB 4.12Å; F542-C549 HydrophobicContact CE2-CB 3.55Å; F542-C549 HydrophobicContact CG-CB 4.42Å; F542-C549 HydrophobicContact CZ-CB 3.64Å; F542-C549 WeakPolarHBondContact CZ-SG 3.47Å; F542-C549 PolarHBondContact N-O 3.2Å; F542-C549 PolarHBondContact O-N 3.36Å; F542-C549 VanDerWaalsContact O-O 3.11Å; F542-E551 HydrophobicContact CE1-CB 3.93Å
543F82.7Confident79.4Confident134 Ų13459.3 Ų59.359%0.58831%0.308SS*.EExtended strand (participates in β ladder)trans-107.2124.9174.8-165-97.9000109.2G546 A548F543-G546 VanDerWaalsContact CZ-CA 3.41Å; F543-A548 HydrophobicContact CD2-CB 4.1Å; F543-A548 HydrophobicContact CE2-CB 4.43Å
544S78.5Confident81Confident57 Ų5758.8 Ų58.840%0.39931%0.305SS..EExtended strand (participates in β ladder)trans-139.3130178.9-175.40000109.8G546 H547S544-G546 VanDerWaalsContact C-N 3.25Å; S544-G546 PolarHBondContact O-N 3.48Å; S544-G546 VanDerWaalsContact O-N 3.16Å; S544-H547 PolarHBondContact N-O 3.09Å; S544-H547 WeakPolarHBondContact O-CB 3.42Å; S544-H547 PolarHBondContact O-N 2.85Å
545K72.7Confident82.4Confident120 Ų12054.5 Ų54.552%0.52230%0.304SS..THydrogen-bonded Turntrans55.834170.7-73-177.4173.4-173.80114.7H547 E688K545-H547 VanDerWaalsContact C-N 3.29Å; K545-H547 PolarHBondContact O-CD2 2.81Å; K545-H547 VanDerWaalsContact O-CD2 3.29Å; K545-E688 VanDerWaalsContact CB-O 3.28Å; K545-E688 WeakPolarHBondContact CB-O 3.46Å; K545-E688 HydrophobicContact CD-CG 4.27Å; K545-E688 IonicContact NZ-OE1 2.71Å; K545-E688 PolarHBondContact NZ-OE1 3.13Å
546G72.6Confident83.6Confident5 Ų549.4 Ų49.45%0.05229%0.287CS..THydrogen-bonded Turntrans84.6-0.4-177.900000114.6N516 F543 S544 P686N516-G546 PolarHBondContact ND2-O 3.1Å; N516-G546 PolarHBondContact OD1-O 2.83Å; F543-G546 VanDerWaalsContact CZ-CA 3.41Å; S544-G546 VanDerWaalsContact C-N 3.25Å; S544-G546 PolarHBondContact O-N 3.48Å; S544-G546 VanDerWaalsContact O-N 3.16Å; G546-P686 VanDerWaalsContact O-CB 3.26Å; G546-P686 WeakPolarHBondContact O-CB 3.2Å; G546-P686 WeakPolarHBondContact O-CG 3.12Å
547H80.4Confident84.4Confident30 Ų3049.9 Ų49.914%0.13927%0.272CS..EExtended strand (participates in β ladder)trans-110126.4178.9-61.8-93.5000110.9Y514 N516 S544 K545Y514-H547 HydrophobicContact CD1-CB 4.37Å; N516-H547 VanDerWaalsContact OD1-CA 3.29Å; N516-H547 WeakPolarHBondContact OD1-CA 3.32Å; S544-H547 PolarHBondContact N-O 3.09Å; S544-H547 WeakPolarHBondContact O-CB 3.42Å; S544-H547 PolarHBondContact O-N 2.85Å; K545-H547 VanDerWaalsContact C-N 3.29Å; K545-H547 PolarHBondContact O-CD2 2.81Å; K545-H547 VanDerWaalsContact O-CD2 3.29Å
548A87.6Confident84.6Confident12 Ų1252.2 Ų52.210%0.09928%0.282CS..EExtended strand (participates in β ladder)trans-73129.7162.800000108.6N515 N516 L518 F543N515-A548 PolarHBondContact N-O 2.86Å; N515-A548 VanDerWaalsContact N-O 3.1Å; N516-A548 PolarHBondContact OD1-N 2.93Å; L518-A548 HydrophobicContact CB-CB 3.94Å; L518-A548 HydrophobicContact CD1-CB 4.15Å; F543-A548 HydrophobicContact CD2-CB 4.1Å; F543-A548 HydrophobicContact CE2-CB 4.43Å
549C88.3Confident84.6Confident3 Ų349.7 Ų49.72%0.0227%0.268CS..EExtended strand (participates in β ladder)trans-127.4141.4-178.6-167.70000110.3I513 Y514 E541 F542I513-C549 VanDerWaalsContact O-CA 3.32Å; I513-C549 WeakPolarHBondContact O-CA 3.37Å; I513-C549 PolarHBondContact O-SG 2.72Å; I513-C549 VanDerWaalsContact O-SG 3.41Å; Y514-C549 HydrophobicContact CD1-CB 4.1Å; Y514-C549 HydrophobicContact CE1-CB 4.15Å; Y514-C549 VanDerWaalsContact CE1-SG 3.57Å; E541-C549 WeakPolarHBondContact CA-O 3.32Å; F542-C549 HydrophobicContact CD1-CB 4.48Å; F542-C549 HydrophobicContact CD2-CB 3.97Å; F542-C549 HydrophobicContact CE1-CB 4.12Å; F542-C549 HydrophobicContact CE2-CB 3.55Å; F542-C549 HydrophobicContact CG-CB 4.42Å; F542-C549 HydrophobicContact CZ-CB 3.64Å; F542-C549 WeakPolarHBondContact CZ-SG 3.47Å; F542-C549 PolarHBondContact N-O 3.2Å; F542-C549 PolarHBondContact O-N 3.36Å; F542-C549 VanDerWaalsContact O-O 3.11Å
550L90.1Very high84.7Confident0 Ų047.6 Ų47.60%026%0.255CS..EExtended strand (participates in β ladder)trans-124.5121.2170.4-172.1157.1000107.8I513 L518 F521 L529 V539 E540 E541 I552 V567I513-L550 PolarHBondContact N-O 2.72Å; I513-L550 PolarHBondContact O-N 3.07Å; L518-L550 HydrophobicContact CD1-CB 3.77Å; L518-L550 HydrophobicContact CD2-CB 4.03Å; L518-L550 HydrophobicContact CD2-CD1 3.88Å; F521-L550 HydrophobicContact CE2-CD1 4.25Å; L529-L550 HydrophobicContact CD1-CD1 4.36Å; V539-L550 HydrophobicContact CG1-CD1 4.17Å; V539-L550 HydrophobicContact CG1-CD2 3.86Å; V539-L550 HydrophobicContact CG1-CG 3.95Å; E540-L550 WeakPolarHBondContact O-CA 3.38Å; E541-L550 HydrophobicContact CG-CB 4.44Å; E541-L550 HydrophobicContact CG-CD1 3.89Å; E541-L550 HydrophobicContact CG-CG 4.02Å; L550-I552 HydrophobicContact CD2-CD1 3.74Å; L550-I552 HydrophobicContact CD2-CG1 3.3Å; L550-V567 HydrophobicContact CD1-CG1 4.14Å; L550-V567 HydrophobicContact CD1-CG2 4.32Å; L550-V567 HydrophobicContact CD2-CG1 4.44Å; L550-V567 HydrophobicContact CD2-CG2 4.19Å
551E90.1Very high84.7Confident20 Ų2043.1 Ų43.19%0.09324%0.236CC..EExtended strand (participates in β ladder)trans-110.7125.1177.5-176.6164.5-163.200109.9S510 V511 R512 V539 E540 F542S510-E551 PolarHBondContact OG-OE1 3.33Å; V511-E551 WeakPolarHBondContact O-CA 3.31Å; R512-E551 HydrophobicContact CG-CB 4.04Å; R512-E551 HydrophobicContact CG-CG 3.74Å; R512-E551 IonicContact CZ-OE1 2.83Å; R512-E551 IonicContact CZ-OE2 3.32Å; R512-E551 VanDerWaalsContact CZ-OE2 3.28Å; R512-E551 IonicContact NE-OE1 3.53Å; R512-E551 PolarHBondContact NE-OE1 3.46Å; R512-E551 IonicContact NE-OE2 2.91Å; R512-E551 PolarHBondContact NE-OE2 3.08Å; R512-E551 VanDerWaalsContact NE-OE2 3.11Å; R512-E551 VanDerWaalsContact NH2-CD 3.31Å; R512-E551 IonicContact NH2-OE1 2.72Å; R512-E551 PolarHBondContact NH2-OE1 3.43Å; R512-E551 IonicContact NH2-OE2 2.67Å; R512-E551 PolarHBondContact NH2-OE2 2.93Å; V539-E551 WeakPolarHBondContact CA-O 3.31Å; E540-E551 PolarHBondContact N-O 3.39Å; E540-E551 PolarHBondContact O-N 2.91Å; F542-E551 HydrophobicContact CE1-CB 3.93Å
552I89.4Confident84.6Confident1 Ų139 Ų391%0.00522%0.217CC..EExtended strand (participates in β ladder)trans-113.2118.1178.8-49.7177.8000107.9S510 V511 I538 V539 L550 V560 A563 V567S510-I552 CarbonylContact C-O 3.56Å; S510-I552 VanDerWaalsContact CA-O 3.25Å; S510-I552 WeakPolarHBondContact CA-O 3.38Å; V511-I552 PolarHBondContact N-O 3.25Å; V511-I552 PolarHBondContact O-N 3.47Å; I538-I552 CarbonylContact O-C 3.56Å; I538-I552 WeakPolarHBondContact O-CA 3.38Å; V539-I552 HydrophobicContact CG2-CG1 4.47Å; V539-I552 HydrophobicContact CG2-CG2 4.34Å; L550-I552 HydrophobicContact CD2-CD1 3.74Å; L550-I552 HydrophobicContact CD2-CG1 3.3Å; I552-V560 HydrophobicContact CG2-CG1 4.43Å; I552-A563 HydrophobicContact CD1-CB 4Å; I552-A563 HydrophobicContact CG2-CB 4.06Å; I552-V567 HydrophobicContact CD1-CG2 3.96Å
553N88.8Confident84.5Confident41 Ų4135.9 Ų35.922%0.21921%0.206CC..EExtended strand (participates in β ladder)trans-115.7147.7177-59.1-63.5000110.4H509 S510 L537 I538H509-N553 WeakPolarHBondContact O-CA 3.44Å; S510-N553 WeakPolarHBondContact CB-OD1 3.38Å; S510-N553 PolarHBondContact OG-OD1 2.79Å; L537-N553 CarbonylContact C-O 3.52Å; L537-N553 WeakPolarHBondContact CA-O 3.3Å; I538-N553 HydrophobicContact CB-CB 4.37Å; I538-N553 PolarHBondContact N-O 2.98Å; I538-N553 PolarHBondContact O-N 2.97Å
554G86.3Confident84.7Confident15 Ų1529.5 Ų29.516%0.15518%0.178CC..EExtended strand (participates in β ladder)trans-170.9162.9179.500000114.7H509H509-G554 WeakPolarHBondContact CB-O 3.32Å; H509-G554 PolarHBondContact O-N 2.79Å; H509-G554 VanDerWaalsContact O-N 3.11Å
555G82.5Confident85.2Confident73 Ų7326.8 Ų26.875%0.75316%0.159SC*.SBendtrans-76.2-16.6179.800000115.2
556S85.9Confident85.7Confident36 Ų3624 Ų2425%0.25215%0.147SC..  trans-116.7127.8175.5157.20000110.1E558 E559 V560S556-E558 VanDerWaalsContact C-N 3.3Å; S556-E558 PolarHBondContact O-N 3.44Å; S556-E558 PolarHBondContact OG-N 2.97Å; S556-E558 PolarHBondContact OG-OE2 3.16Å; S556-E559 PolarHBondContact O-N 3.07Å; S556-E559 PolarHBondContact OG-N 3.38Å; S556-E559 VanDerWaalsContact OG-N 3.14Å; S556-V560 VanDerWaalsContact O-CG2 3.29Å; S556-V560 WeakPolarHBondContact O-CG2 3.4Å; S556-V560 PolarHBondContact O-N 3.35Å; S556-V560 VanDerWaalsContact O-N 3.09Å
557K85.8Confident86.4Confident69 Ų6923.9 Ų23.930%0.315%0.145SC..Hα-helixtrans-62.8-38.6176.5-61.3177.7-179.6178.30111.3D507 H509 V560 A561D507-K557 WeakPolarHBondContact O-CE 3.31Å; D507-K557 PolarHBondContact O-NZ 2.98Å; D507-K557 IonicContact OD1-NZ 2.94Å; D507-K557 PolarHBondContact OD1-NZ 3.2Å; H509-K557 VanDerWaalsContact CE1-CE 3.45Å; H509-K557 WeakPolarHBondContact CE1-CE 3.4Å; K557-V560 PolarHBondContact O-N 2.87Å; K557-A561 WeakPolarHBondContact O-CB 3.2Å; K557-A561 PolarHBondContact O-N 3.02Å
558E85.9Confident86.9Confident65 Ų6522.7 Ų22.730%0.30414%0.139SC..Hα-helixtrans-65.9-44178.6-56.285.7174.100111.7A12 I16 S556 A561 V562A12-E558 HydrophobicContact CB-CG 4.14Å; I16-E558 HydrophobicContact CG1-CB 4.23Å; I16-E558 HydrophobicContact CG1-CG 4.48Å; S556-E558 VanDerWaalsContact C-N 3.3Å; S556-E558 PolarHBondContact O-N 3.44Å; S556-E558 PolarHBondContact OG-N 2.97Å; S556-E558 PolarHBondContact OG-OE2 3.16Å; E558-A561 PolarHBondContact O-N 3.3Å; E558-V562 WeakPolarHBondContact O-CB 3.17Å; E558-V562 VanDerWaalsContact O-CG2 3.25Å; E558-V562 WeakPolarHBondContact O-CG2 3.18Å; E558-V562 PolarHBondContact O-N 3.02Å
559E84.2Confident86.7Confident48 Ų4822.6 Ų22.622%0.22414%0.139CC..Hα-helixtrans-65-40.8177.3-68.1-60.5146.300111.8R19 L537 S556 V562 A563R19-E559 IonicContact CZ-OE1 2.88Å; R19-E559 VanDerWaalsContact CZ-OE1 3.24Å; R19-E559 IonicContact CZ-OE2 3Å; R19-E559 IonicContact NH1-OE1 3.47Å; R19-E559 PolarHBondContact NH1-OE1 2.97Å; R19-E559 IonicContact NH1-OE2 2.98Å; R19-E559 IonicContact NH2-OE1 3.51Å; R19-E559 PolarHBondContact NH2-OE1 3.03Å; R19-E559 IonicContact NH2-OE2 2.69Å; R19-E559 PolarHBondContact NH2-OE2 3.28Å; L537-E559 HydrophobicContact CD1-CB 4.49Å; L537-E559 HydrophobicContact CD2-CB 4.04Å; S556-E559 PolarHBondContact O-N 3.07Å; S556-E559 PolarHBondContact OG-N 3.38Å; S556-E559 VanDerWaalsContact OG-N 3.14Å; E559-V562 PolarHBondContact O-N 3.41Å; E559-A563 WeakPolarHBondContact O-CB 3.49Å; E559-A563 PolarHBondContact O-N 3.06Å
560V86.3Confident86.5Confident1 Ų123.6 Ų23.61%0.00615%0.145CC..Hα-helixtrans-64.2-45.8176.2172.50000111.1V511 L537 I552 S556 K557 A563 G564V511-V560 HydrophobicContact CB-CG1 3.97Å; V511-V560 HydrophobicContact CG2-CG1 3.68Å; L537-V560 HydrophobicContact CD2-CG2 3.73Å; I552-V560 HydrophobicContact CG2-CG1 4.43Å; S556-V560 VanDerWaalsContact O-CG2 3.29Å; S556-V560 WeakPolarHBondContact O-CG2 3.4Å; S556-V560 PolarHBondContact O-N 3.35Å; S556-V560 VanDerWaalsContact O-N 3.09Å; K557-V560 PolarHBondContact O-N 2.87Å; V560-A563 PolarHBondContact O-N 3.41Å; V560-G564 PolarHBondContact O-N 3.22Å
561A87Confident86.4Confident9 Ų923.7 Ų23.77%0.07415%0.145CC..Hα-helixtrans-62.8-43.7177.600000112I16 K557 E558 G564 L565I16-A561 HydrophobicContact CD1-CB 3.69Å; I16-A561 HydrophobicContact CG1-CB 4.24Å; I16-A561 HydrophobicContact CG2-CB 4.5Å; K557-A561 WeakPolarHBondContact O-CB 3.2Å; K557-A561 PolarHBondContact O-N 3.02Å; E558-A561 PolarHBondContact O-N 3.3Å; A561-G564 PolarHBondContact O-N 3.22Å; A561-L565 WeakPolarHBondContact O-CG 3.33Å; A561-L565 PolarHBondContact O-N 3.49Å
562V85.5Confident86.2Confident4 Ų422.7 Ų22.72%0.02414%0.14CC..Hα-helixtrans-62-45.2176.1162.20000111.3I16 R19 E558 E559 L565 K566I16-V562 HydrophobicContact CB-CG2 4.47Å; I16-V562 HydrophobicContact CG1-CG2 4.38Å; I16-V562 HydrophobicContact CG2-CG2 4.11Å; R19-V562 HydrophobicContact CB-CG2 4.2Å; E558-V562 WeakPolarHBondContact O-CB 3.17Å; E558-V562 VanDerWaalsContact O-CG2 3.25Å; E558-V562 WeakPolarHBondContact O-CG2 3.18Å; E558-V562 PolarHBondContact O-N 3.02Å; E559-V562 PolarHBondContact O-N 3.41Å; V562-L565 PolarHBondContact O-N 2.78Å; V562-K566 WeakPolarHBondContact O-CG 3.35Å; V562-K566 PolarHBondContact O-N 2.93Å
563A85.1Confident85.9Confident11 Ų1127.6 Ų27.69%0.09116%0.162CC..Hα-helixtrans-63.2-42.2176.700000111.8L537 I552 E559 V560 L565 K566 V567L537-A563 HydrophobicContact CD1-CB 3.65Å; I552-A563 HydrophobicContact CD1-CB 4Å; I552-A563 HydrophobicContact CG2-CB 4.06Å; E559-A563 WeakPolarHBondContact O-CB 3.49Å; E559-A563 PolarHBondContact O-N 3.06Å; V560-A563 PolarHBondContact O-N 3.41Å; A563-L565 PolarHBondContact O-N 3.33Å; A563-K566 PolarHBondContact O-N 3.34Å; A563-V567 PolarHBondContact O-N 2.99Å
564G86.8Confident85.7Confident0 Ų026.2 Ų26.20%015%0.154CC..Hα-helixtrans-59.7-44.817500000112.8V560 A561 K566 V567 E568V560-G564 PolarHBondContact O-N 3.22Å; A561-G564 PolarHBondContact O-N 3.22Å; G564-K566 VanDerWaalsContact C-N 3.32Å; G564-K566 PolarHBondContact O-N 3.27Å; G564-V567 PolarHBondContact O-N 3.33Å; G564-E568 VanDerWaalsContact O-CG 3.24Å; G564-E568 WeakPolarHBondContact O-CG 3.48Å; G564-E568 PolarHBondContact O-N 2.96Å
565L87.4Confident85.8Confident0 Ų026 Ų260%015%0.149CC..Hα-helixtrans-62.2-38.7175.8-72.4173.9000112.2I16 C20 L24 I27 W499 R503 L504 A561 V562 A563 E568 A569I16-L565 HydrophobicContact CG2-CD1 3.62Å; C20-L565 HydrophobicContact CB-CB 4.42Å; C20-L565 HydrophobicContact CB-CD1 3.97Å; L24-L565 HydrophobicContact CD1-CD1 4.35Å; L24-L565 HydrophobicContact CD1-CD2 3.76Å; I27-L565 HydrophobicContact CD1-CD2 4.25Å; I27-L565 VanDerWaalsContact CD1-O 3.29Å; I27-L565 WeakPolarHBondContact CD1-O 3.41Å; W499-L565 HydrophobicContact CH2-CD2 3.5Å; W499-L565 HydrophobicContact CZ2-CD2 4.32Å; W499-L565 HydrophobicContact CZ3-CD2 4.16Å; R503-L565 HydrophobicContact CB-CD2 4.35Å; L504-L565 HydrophobicContact CD2-CD1 4.01Å; A561-L565 WeakPolarHBondContact O-CG 3.33Å; A561-L565 PolarHBondContact O-N 3.49Å; V562-L565 PolarHBondContact O-N 2.78Å; A563-L565 PolarHBondContact O-N 3.33Å; L565-E568 PolarHBondContact O-N 3.19Å; L565-A569 PolarHBondContact O-N 2.93Å
566K84.9Confident86Confident62 Ų6226.4 Ų26.427%0.2713%0.13SC..Hα-helixtrans-64.7-43176.2-71.8-178.8172.4-171.80112.7Y49 V562 A563 G564 E568 A569 V570Y49-K566 HydrophobicContact CE2-CG 4.48Å; Y49-K566 WeakPolarHBondContact OH-CG 3.43Å; V562-K566 WeakPolarHBondContact O-CG 3.35Å; V562-K566 PolarHBondContact O-N 2.93Å; A563-K566 PolarHBondContact O-N 3.34Å; G564-K566 VanDerWaalsContact C-N 3.32Å; G564-K566 PolarHBondContact O-N 3.27Å; K566-E568 VanDerWaalsContact C-N 3.31Å; K566-E568 PolarHBondContact O-N 3.32Å; K566-A569 WeakPolarHBondContact O-CB 3.39Å; K566-A569 PolarHBondContact O-N 3.34Å; K566-V570 WeakPolarHBondContact O-CG2 3.4Å; K566-V570 PolarHBondContact O-N 2.79Å
567V87.3Confident85.9Confident2 Ų228.4 Ų28.41%0.01214%0.136CC..Hα-helixtrans-59.8-45.1174.5172.80000110.4I513 L518 F521 L529 L550 I552 A563 G564 A569 V570 L571I513-V567 HydrophobicContact CD1-CB 3.7Å; I513-V567 HydrophobicContact CD1-CG1 3.5Å; L518-V567 HydrophobicContact CD2-CG1 4.36Å; F521-V567 HydrophobicContact CZ-CG1 4.3Å; L529-V567 HydrophobicContact CD2-CG2 3.46Å; L529-V567 VanDerWaalsContact CD2-CG2 3.46Å; L550-V567 HydrophobicContact CD1-CG1 4.14Å; L550-V567 HydrophobicContact CD1-CG2 4.32Å; L550-V567 HydrophobicContact CD2-CG1 4.44Å; L550-V567 HydrophobicContact CD2-CG2 4.19Å; I552-V567 HydrophobicContact CD1-CG2 3.96Å; A563-V567 PolarHBondContact O-N 2.99Å; G564-V567 PolarHBondContact O-N 3.33Å; V567-A569 VanDerWaalsContact C-N 3.3Å; V567-A569 PolarHBondContact O-N 3.38Å; V567-V570 PolarHBondContact O-N 3.07Å; V567-L571 HydrophobicContact CG1-CD1 3.96Å; V567-L571 HydrophobicContact CG1-CG 4.48Å; V567-L571 WeakPolarHBondContact O-CG 3.35Å; V567-L571 PolarHBondContact O-N 2.97Å
568E89.3Confident86Confident4 Ų426.3 Ų26.32%0.01913%0.127CC..Hα-helixtrans-62-36.9177.4-66.6-82.7-146.500112.2I27 K31 W499 R503 I513 G564 L565 K566 L571 C572I27-E568 HydrophobicContact CD1-CB 3.87Å; I27-E568 HydrophobicContact CG1-CB 4.28Å; I27-E568 HydrophobicContact CG2-CB 4.45Å; K31-E568 WeakPolarHBondContact CE-OE2 3.07Å; K31-E568 VanDerWaalsContact NZ-CD 3.29Å; K31-E568 IonicContact NZ-OE1 2.65Å; K31-E568 PolarHBondContact NZ-OE1 3.1Å; K31-E568 IonicContact NZ-OE2 3.17Å; K31-E568 PolarHBondContact NZ-OE2 2.89Å; W499-E568 HydrophobicContact CZ2-CB 4.43Å; W499-E568 HydrophobicContact CZ2-CG 4.16Å; R503-E568 IonicContact CZ-OE1 3.43Å; R503-E568 IonicContact NE-OE1 3.52Å; R503-E568 IonicContact NH2-OE1 3.89Å; R503-E568 PolarHBondContact NH2-OE1 2.81Å; I513-E568 HydrophobicContact CD1-CG 4.03Å; G564-E568 VanDerWaalsContact O-CG 3.24Å; G564-E568 WeakPolarHBondContact O-CG 3.48Å; G564-E568 PolarHBondContact O-N 2.96Å; L565-E568 PolarHBondContact O-N 3.19Å; K566-E568 VanDerWaalsContact C-N 3.31Å; K566-E568 PolarHBondContact O-N 3.32Å; E568-L571 PolarHBondContact O-N 2.9Å; E568-C572 PolarHBondContact O-N 3.04Å; E568-C572 PolarHBondContact O-SG 3.12Å
569A84.9Confident86.1Confident11 Ų1124 Ų249%0.09112%0.116CC..Hα-helixtrans-65.7-43.8174.800000112.3D23 I27 L565 K566 V567 L571 C572 K573D23-A569 HydrophobicContact CB-CB 3.97Å; I27-A569 HydrophobicContact CD1-CB 4.11Å; I27-A569 HydrophobicContact CG1-CB 4.22Å; L565-A569 PolarHBondContact O-N 2.93Å; K566-A569 WeakPolarHBondContact O-CB 3.39Å; K566-A569 PolarHBondContact O-N 3.34Å; V567-A569 VanDerWaalsContact C-N 3.3Å; V567-A569 PolarHBondContact O-N 3.38Å; A569-L571 VanDerWaalsContact C-N 3.35Å; A569-C572 WeakPolarHBondContact O-CB 3.3Å; A569-C572 PolarHBondContact O-N 3.3Å; A569-K573 PolarHBondContact O-N 2.81Å
570V83.9Confident86.3Confident24 Ų2427 Ų2715%0.14513%0.125CC..Hα-helixtrans-61-44.9174.7172.90000110.5F521 D525 K566 V567 C572 K573 I574F521-V570 HydrophobicContact CE1-CG1 4.01Å; F521-V570 HydrophobicContact CZ-CG1 4.11Å; D525-V570 HydrophobicContact CB-CG1 4.36Å; K566-V570 WeakPolarHBondContact O-CG2 3.4Å; K566-V570 PolarHBondContact O-N 2.79Å; V567-V570 PolarHBondContact O-N 3.07Å; V570-C572 VanDerWaalsContact C-N 3.33Å; V570-C572 PolarHBondContact O-N 3.18Å; V570-K573 WeakPolarHBondContact O-CB 3.45Å; V570-K573 PolarHBondContact O-N 3.12Å; V570-K573 VanDerWaalsContact O-N 3.1Å; V570-I574 HydrophobicContact CG1-CD1 3.86Å; V570-I574 HydrophobicContact CG1-CG1 4.43Å; V570-I574 WeakPolarHBondContact O-CG1 3.27Å; V570-I574 PolarHBondContact O-N 2.87Å
571L87.6Confident86.2Confident1 Ų132 Ų321%0.00515%0.148CC..Hα-helixtrans-58.9-43.1175.3-75.5165.8000112I513 N515 F517 L518 F521 V567 E568 A569 K573 I574 Q575I513-L571 HydrophobicContact CG2-CD1 3.78Å; N515-L571 HydrophobicContact CB-CD1 3.99Å; N515-L571 HydrophobicContact CB-CD2 4.23Å; F517-L571 HydrophobicContact CB-CD2 3.95Å; L518-L571 HydrophobicContact CD2-CD1 4.23Å; L518-L571 HydrophobicContact CD2-CD2 4.03Å; L518-L571 HydrophobicContact CD2-CG 4.43Å; L518-L571 HydrophobicContact CG-CD2 4.13Å; F521-L571 HydrophobicContact CE1-CD2 3.67Å; F521-L571 HydrophobicContact CE1-CG 4.06Å; F521-L571 HydrophobicContact CZ-CD2 4.14Å; F521-L571 HydrophobicContact CZ-CG 4.16Å; V567-L571 HydrophobicContact CG1-CD1 3.96Å; V567-L571 HydrophobicContact CG1-CG 4.48Å; V567-L571 WeakPolarHBondContact O-CG 3.35Å; V567-L571 PolarHBondContact O-N 2.97Å; E568-L571 PolarHBondContact O-N 2.9Å; A569-L571 VanDerWaalsContact C-N 3.35Å; L571-K573 VanDerWaalsContact C-N 3.29Å; L571-K573 PolarHBondContact O-N 3.25Å; L571-I574 PolarHBondContact O-N 2.87Å; L571-Q575 WeakPolarHBondContact O-CB 3.49Å; L571-Q575 VanDerWaalsContact O-CG 3.22Å; L571-Q575 WeakPolarHBondContact O-CG 3.49Å; L571-Q575 PolarHBondContact O-N 3.25Å
572C86.1Confident86.3Confident0 Ų033.4 Ų33.40%015%0.154CC..Hα-helixtrans-61-39.3175.6-67.60000111.7E568 A569 V570 K576E568-C572 PolarHBondContact O-N 3.04Å; E568-C572 PolarHBondContact O-SG 3.12Å; A569-C572 WeakPolarHBondContact O-CB 3.3Å; A569-C572 PolarHBondContact O-N 3.3Å; V570-C572 VanDerWaalsContact C-N 3.33Å; V570-C572 PolarHBondContact O-N 3.18Å; C572-K576 VanDerWaalsContact O-CG 3.25Å; C572-K576 WeakPolarHBondContact O-CG 3.45Å; C572-K576 PolarHBondContact O-N 3.06Å; C572-K576 VanDerWaalsContact O-N 3.08Å
573K83.3Confident86.4Confident104 Ų10434.6 Ų34.645%0.45216%0.159SC..Hα-helixtrans-64.6-49.2176.8-177.4179.6175.4-73.60111.7A569 V570 L571 Q575 K576 E577A569-K573 PolarHBondContact O-N 2.81Å; V570-K573 WeakPolarHBondContact O-CB 3.45Å; V570-K573 PolarHBondContact O-N 3.12Å; V570-K573 VanDerWaalsContact O-N 3.1Å; L571-K573 VanDerWaalsContact C-N 3.29Å; L571-K573 PolarHBondContact O-N 3.25Å; K573-Q575 VanDerWaalsContact C-N 3.33Å; K573-Q575 PolarHBondContact O-N 2.95Å; K573-K576 WeakPolarHBondContact O-CB 3.2Å; K573-K576 PolarHBondContact O-N 3.27Å; K573-E577 WeakPolarHBondContact CE-OE1 3.35Å; K573-E577 IonicContact NZ-OE1 2.73Å; K573-E577 PolarHBondContact NZ-OE1 3.24Å; K573-E577 IonicContact NZ-OE2 2.72Å; K573-E577 PolarHBondContact NZ-OE2 3.33Å; K573-E577 PolarHBondContact O-N 3.41Å
574I84.8Confident86.3Confident12 Ų1238.8 Ų38.86%0.06218%0.177CC..Hα-helixtrans-58.9-46.2178.6-72172.7000110.5F517 H520 F521 V570 L571 K576 E577 F578F517-I574 HydrophobicContact CB-CG2 4.47Å; F517-I574 HydrophobicContact CD1-CG2 4.21Å; H520-I574 HydrophobicContact CB-CG2 3.66Å; F521-I574 HydrophobicContact CD1-CD1 3.3Å; F521-I574 HydrophobicContact CE1-CD1 3.51Å; F521-I574 HydrophobicContact CG-CD1 4.39Å; V570-I574 HydrophobicContact CG1-CD1 3.86Å; V570-I574 HydrophobicContact CG1-CG1 4.43Å; V570-I574 WeakPolarHBondContact O-CG1 3.27Å; V570-I574 PolarHBondContact O-N 2.87Å; L571-I574 PolarHBondContact O-N 2.87Å; I574-K576 VanDerWaalsContact C-N 3.32Å; I574-K576 PolarHBondContact O-N 3.49Å; I574-E577 PolarHBondContact O-N 3.14Å; I574-F578 WeakPolarHBondContact O-CB 3.34Å; I574-F578 PolarHBondContact O-N 3.26Å
575Q88.4Confident86.2Confident10 Ų1043.7 Ų43.75%0.04720%0.199CC..Hα-helixtrans-61.9-38.6178-72.5174.7-15.100112.3N515 F517 L571 K573 I579 F671 M674N515-Q575 PolarHBondContact ND2-NE2 3.27Å; F517-Q575 HydrophobicContact CB-CG 4.14Å; F517-Q575 HydrophobicContact CD1-CG 3.81Å; F517-Q575 HydrophobicContact CD2-CG 3.93Å; F517-Q575 HydrophobicContact CE1-CG 4.2Å; F517-Q575 HydrophobicContact CE2-CG 4.31Å; F517-Q575 HydrophobicContact CG-CG 3.66Å; F517-Q575 HydrophobicContact CZ-CG 4.44Å; L571-Q575 WeakPolarHBondContact O-CB 3.49Å; L571-Q575 VanDerWaalsContact O-CG 3.22Å; L571-Q575 WeakPolarHBondContact O-CG 3.49Å; L571-Q575 PolarHBondContact O-N 3.25Å; K573-Q575 VanDerWaalsContact C-N 3.33Å; K573-Q575 PolarHBondContact O-N 2.95Å; Q575-I579 WeakPolarHBondContact O-CB 3.32Å; Q575-I579 WeakPolarHBondContact O-CD1 3.47Å; Q575-I579 WeakPolarHBondContact O-CG1 3.48Å; Q575-I579 PolarHBondContact O-N 3.15Å; Q575-F671 VanDerWaalsContact NE2-CE1 3.27Å; Q575-M674 HydrophobicContact CB-CE 3.8Å; Q575-M674 HydrophobicContact CG-CE 3.91Å
576K85.6Confident86.2Confident81 Ų8143.7 Ų43.735%0.35220%0.2SC..Hα-helixtrans-66.1-41.7174.8-73.3170.8-170.71770112.2E26 S30 C572 K573 I574 R580E26-K576 IonicContact OE1-NZ 3.72Å; E26-K576 PolarHBondContact OE1-NZ 2.8Å; S30-K576 VanDerWaalsContact OG-CE 3.31Å; S30-K576 WeakPolarHBondContact OG-CE 3.45Å; C572-K576 VanDerWaalsContact O-CG 3.25Å; C572-K576 WeakPolarHBondContact O-CG 3.45Å; C572-K576 PolarHBondContact O-N 3.06Å; C572-K576 VanDerWaalsContact O-N 3.08Å; K573-K576 WeakPolarHBondContact O-CB 3.2Å; K573-K576 PolarHBondContact O-N 3.27Å; I574-K576 VanDerWaalsContact C-N 3.32Å; I574-K576 PolarHBondContact O-N 3.49Å; K576-R580 WeakPolarHBondContact O-CB 3.49Å; K576-R580 PolarHBondContact O-N 2.99Å
577E84.7Confident86.2Confident79 Ų7944.6 Ų44.637%0.36921%0.205SC..Hα-helixtrans-65.3-44.5177.3-74.5172.9160.100110.7K573 I574 R580 E581K573-E577 WeakPolarHBondContact CE-OE1 3.35Å; K573-E577 IonicContact NZ-OE1 2.73Å; K573-E577 PolarHBondContact NZ-OE1 3.24Å; K573-E577 IonicContact NZ-OE2 2.72Å; K573-E577 PolarHBondContact NZ-OE2 3.33Å; K573-E577 PolarHBondContact O-N 3.41Å; I574-E577 PolarHBondContact O-N 3.14Å; E577-R580 WeakPolarHBondContact O-CB 3.2Å; E577-R580 PolarHBondContact O-N 3.27Å; E577-E581 WeakPolarHBondContact O-CG 3.34Å; E577-E581 PolarHBondContact O-N 2.89Å
578F86.7Confident86Confident25 Ų2551.6 Ų51.611%0.1124%0.239CC..Hα-helixtrans-57.8-50173.9-173.9-94.4000112.2F517 H520 I574 R580 E581 E582 I678 H681F517-F578 HydrophobicContact CE1-CB 4.04Å; F517-F578 AromaticContact CE1-CD1 3.69Å; F517-F578 HydrophobicContact CE1-CD1 3.69Å; F517-F578 HydrophobicContact CE1-CD2 4.15Å; F517-F578 HydrophobicContact CE1-CE1 4.15Å; F517-F578 AromaticContact CE1-CG 3.69Å; F517-F578 HydrophobicContact CE1-CG 3.69Å; F517-F578 HydrophobicContact CZ-CD1 4.03Å; F517-F578 HydrophobicContact CZ-CE1 4.21Å; F517-F578 HydrophobicContact CZ-CG 4.48Å; H520-F578 AromaticContact CE1-CE2 3.94Å; I574-F578 WeakPolarHBondContact O-CB 3.34Å; I574-F578 PolarHBondContact O-N 3.26Å; F578-R580 VanDerWaalsContact C-N 3.28Å; F578-R580 PolarHBondContact O-N 3.2Å; F578-E581 PolarHBondContact O-N 3.43Å; F578-E582 HydrophobicContact CD1-CG 4.04Å; F578-E582 HydrophobicContact CE1-CG 3.71Å; F578-E582 HydrophobicContact CE2-CG 4.35Å; F578-E582 HydrophobicContact CZ-CG 3.87Å; F578-E582 WeakPolarHBondContact O-CB 3.37Å; F578-E582 WeakPolarHBondContact O-CG 3.47Å; F578-E582 PolarHBondContact O-N 3.24Å; F578-I678 HydrophobicContact CD1-CD1 3.81Å; F578-I678 HydrophobicContact CE1-CD1 3.68Å; F578-H681 AromaticContact CE1-CE1 3.82Å; F578-H681 AromaticContact CE1-ND1 3.78Å; F578-H681 AromaticContact CZ-CE1 3.85Å; F578-H681 AromaticContact CZ-ND1 3.62Å
579I88.4Confident85.7Confident16 Ų1655.1 Ų55.18%0.08226%0.258CS..Hα-helixtrans-57.9-42.9176.8-69.8162000111.3Q575 E581 E583 M674 R677 I678Q575-I579 WeakPolarHBondContact O-CB 3.32Å; Q575-I579 WeakPolarHBondContact O-CD1 3.47Å; Q575-I579 WeakPolarHBondContact O-CG1 3.48Å; Q575-I579 PolarHBondContact O-N 3.15Å; I579-E581 VanDerWaalsContact C-N 3.34Å; I579-E581 PolarHBondContact O-N 2.73Å; I579-E583 HydrophobicContact CG2-CG 4.23Å; I579-E583 WeakPolarHBondContact O-CB 3.21Å; I579-E583 VanDerWaalsContact O-CG 3.29Å; I579-E583 WeakPolarHBondContact O-CG 3.41Å; I579-E583 PolarHBondContact O-N 3.25Å; I579-M674 HydrophobicContact CD1-CB 4.09Å; I579-M674 HydrophobicContact CD1-CE 3.82Å; I579-M674 HydrophobicContact CD1-CG 4.11Å; I579-M674 HydrophobicContact CG1-CB 4.42Å; I579-M674 HydrophobicContact CG1-CE 3.88Å; I579-M674 HydrophobicContact CG1-CG 3.92Å; I579-R677 HydrophobicContact CG2-CB 4.41Å; I579-I678 HydrophobicContact CG1-CD1 4.05Å; I579-I678 HydrophobicContact CG2-CG2 4.17Å
580R87.6Confident85.6Confident112 Ų11255.1 Ų55.142%0.42326%0.257SS..Hα-helixtrans-63.1-41.3-179.6-175.3-164.467.4753.4111.6K576 E577 F578 Q584K576-R580 WeakPolarHBondContact O-CB 3.49Å; K576-R580 PolarHBondContact O-N 2.99Å; E577-R580 WeakPolarHBondContact O-CB 3.2Å; E577-R580 PolarHBondContact O-N 3.27Å; F578-R580 VanDerWaalsContact C-N 3.28Å; F578-R580 PolarHBondContact O-N 3.2Å; R580-Q584 VanDerWaalsContact NH1-CD 3.27Å; R580-Q584 VanDerWaalsContact O-CG 3.26Å; R580-Q584 WeakPolarHBondContact O-CG 3.27Å; R580-Q584 PolarHBondContact O-N 2.77Å; R580-Q584 VanDerWaalsContact O-N 3.17Å
581E85.4Confident85.3Confident105 Ų10561.2 Ų61.249%0.49129%0.289SS..Hα-helixtrans-69.9-46.1-179.5-72.9170.3-17000111.2E577 F578 I579 E583 Q584 E585E577-E581 WeakPolarHBondContact O-CG 3.34Å; E577-E581 PolarHBondContact O-N 2.89Å; F578-E581 PolarHBondContact O-N 3.43Å; I579-E581 VanDerWaalsContact C-N 3.34Å; I579-E581 PolarHBondContact O-N 2.73Å; E581-E583 PolarHBondContact O-N 2.99Å; E581-Q584 WeakPolarHBondContact O-CB 3.38Å; E581-Q584 PolarHBondContact O-N 3Å; E581-E585 PolarHBondContact O-N 3.01Å
582E87.7Confident84.7Confident39 Ų3963.5 Ų63.518%0.18230%0.303CS..Hα-helixtrans-64.1-37.7176.1-70.5-68.5149.500112.4F578 Q584 E585 L586 I678 H681F578-E582 HydrophobicContact CD1-CG 4.04Å; F578-E582 HydrophobicContact CE1-CG 3.71Å; F578-E582 HydrophobicContact CE2-CG 4.35Å; F578-E582 HydrophobicContact CZ-CG 3.87Å; F578-E582 WeakPolarHBondContact O-CB 3.37Å; F578-E582 WeakPolarHBondContact O-CG 3.47Å; F578-E582 PolarHBondContact O-N 3.24Å; E582-Q584 VanDerWaalsContact C-N 3.34Å; E582-Q584 PolarHBondContact O-N 3.16Å; E582-E585 PolarHBondContact O-N 3.02Å; E582-L586 WeakPolarHBondContact O-CB 3.44Å; E582-L586 PolarHBondContact O-N 3.17Å; E582-I678 HydrophobicContact CB-CB 3.97Å; E582-I678 HydrophobicContact CB-CD1 3.95Å; E582-I678 HydrophobicContact CB-CG2 3.7Å; E582-I678 HydrophobicContact CG-CD1 4.08Å; E582-H681 IonicContact OE2-CE1 3.32Å; E582-H681 PolarHBondContact OE2-CE1 2.81Å
583E87.7Confident83.6Confident28 Ų2871 Ų7113%0.13134%0.338CS..Hα-helixtrans-64.5-38173.6-80.1-178152.800112.4I579 E581 Q587 R677 I678I579-E583 HydrophobicContact CG2-CG 4.23Å; I579-E583 WeakPolarHBondContact O-CB 3.21Å; I579-E583 VanDerWaalsContact O-CG 3.29Å; I579-E583 WeakPolarHBondContact O-CG 3.41Å; I579-E583 PolarHBondContact O-N 3.25Å; E581-E583 PolarHBondContact O-N 2.99Å; E583-Q587 WeakPolarHBondContact O-CB 3.27Å; E583-Q587 PolarHBondContact O-N 3.07Å; E583-R677 IonicContact OE1-CZ 2.71Å; E583-R677 VanDerWaalsContact OE1-CZ 3.32Å; E583-R677 IonicContact OE1-NE 3.84Å; E583-R677 PolarHBondContact OE1-NE 2.9Å; E583-R677 IonicContact OE1-NH2 3.5Å; E583-R677 PolarHBondContact OE1-NH2 3.36Å; E583-R677 IonicContact OE2-CZ 2.89Å; E583-R677 IonicContact OE2-NE 2.75Å; E583-R677 IonicContact OE2-NH2 2.78Å; E583-R677 PolarHBondContact OE2-NH2 3.36Å; E583-I678 HydrophobicContact CG-CG2 3.63Å
584Q84.9Confident82.4Confident100 Ų10067.4 Ų67.447%0.46733%0.325SS..Hα-helixtrans-66-46.2176.1-76.1177.5-16.500111R580 E581 E582 Q587 M588R580-Q584 VanDerWaalsContact NH1-CD 3.27Å; R580-Q584 VanDerWaalsContact O-CG 3.26Å; R580-Q584 WeakPolarHBondContact O-CG 3.27Å; R580-Q584 PolarHBondContact O-N 2.77Å; R580-Q584 VanDerWaalsContact O-N 3.17Å; E581-Q584 WeakPolarHBondContact O-CB 3.38Å; E581-Q584 PolarHBondContact O-N 3Å; E582-Q584 VanDerWaalsContact C-N 3.34Å; E582-Q584 PolarHBondContact O-N 3.16Å; Q584-Q587 PolarHBondContact O-N 2.98Å; Q584-M588 VanDerWaalsContact O-CG 3.23Å; Q584-M588 WeakPolarHBondContact O-CG 3.05Å; Q584-M588 PolarHBondContact O-N 3.32Å
585E84.3Confident81.4Confident102 Ų10269.5 Ų69.548%0.47734%0.341SS..Hα-helixtrans-62.9-45.4176.3-176.5168.4-179.100111.5E581 E582 Q587 M588 L589E581-E585 PolarHBondContact O-N 3.01Å; E582-E585 PolarHBondContact O-N 3.02Å; E585-Q587 VanDerWaalsContact C-N 3.33Å; E585-Q587 PolarHBondContact O-N 3.47Å; E585-M588 WeakPolarHBondContact O-CB 3.36Å; E585-M588 PolarHBondContact O-N 3.18Å; E585-M588 VanDerWaalsContact O-N 3.15Å; E585-L589 HydrophobicContact CG-CD1 3.8Å; E585-L589 HydrophobicContact CG-CG 4.27Å; E585-L589 WeakPolarHBondContact O-CG 3.44Å; E585-L589 PolarHBondContact O-N 2.74Å
586L86.3Confident80.3Confident1 Ų173.1 Ų73.11%0.00536%0.358CS..Hα-helixtrans-57.4-45.8177.1-179.960.6000111.5E582 M588 L589 S590 A643 L644 M647 Y766E582-L586 WeakPolarHBondContact O-CB 3.44Å; E582-L586 PolarHBondContact O-N 3.17Å; L586-M588 VanDerWaalsContact C-N 3.35Å; L586-M588 PolarHBondContact O-N 3.36Å; L586-L589 PolarHBondContact O-N 3.42Å; L586-S590 VanDerWaalsContact O-CB 3.3Å; L586-S590 WeakPolarHBondContact O-CB 3.08Å; L586-S590 PolarHBondContact O-N 2.99Å; L586-S590 PolarHBondContact O-OG 3.5Å; L586-A643 HydrophobicContact CD1-CB 4.15Å; L586-A643 HydrophobicContact CD2-CB 3.87Å; L586-A643 HydrophobicContact CG-CB 3.72Å; L586-L644 HydrophobicContact CD1-CD2 4.07Å; L586-L644 HydrophobicContact CD2-CD2 3.66Å; L586-L644 HydrophobicContact CD2-CG 3.93Å; L586-M647 HydrophobicContact CD1-CB 4.29Å; L586-M647 HydrophobicContact CD1-CG 3.39Å; L586-Y766 HydrophobicContact CD1-CE1 4.09Å
587Q85.3Confident79.4Confident81 Ų8175.8 Ų75.838%0.37937%0.369SS..Hα-helixtrans-61.5-42.5177.1-176.4176.211.700112.1E583 Q584 E585 N591 P594E583-Q587 WeakPolarHBondContact O-CB 3.27Å; E583-Q587 PolarHBondContact O-N 3.07Å; Q584-Q587 PolarHBondContact O-N 2.98Å; E585-Q587 VanDerWaalsContact C-N 3.33Å; E585-Q587 PolarHBondContact O-N 3.47Å; Q587-N591 PolarHBondContact O-N 3.01Å; Q587-N591 VanDerWaalsContact O-N 3.08Å; Q587-P594 HydrophobicContact CB-CG 4.5Å
588M82.9Confident79.3Confident149 Ų14976.9 Ų76.973%0.73437%0.37SS*.Hα-helixtrans-65-41178.9-72.7-66.4-62.500112.2Q584 E585 L586Q584-M588 VanDerWaalsContact O-CG 3.23Å; Q584-M588 WeakPolarHBondContact O-CG 3.05Å; Q584-M588 PolarHBondContact O-N 3.32Å; E585-M588 WeakPolarHBondContact O-CB 3.36Å; E585-M588 PolarHBondContact O-N 3.18Å; E585-M588 VanDerWaalsContact O-N 3.15Å; L586-M588 VanDerWaalsContact C-N 3.35Å; L586-M588 PolarHBondContact O-N 3.36Å
589L82.5Confident79.3Confident78 Ų7882.3 Ų82.341%0.40839%0.394SS..Hα-helixtrans-78-34.2-178.5-65.4175.1000112.6E585 L586 M647 Y766E585-L589 HydrophobicContact CG-CD1 3.8Å; E585-L589 HydrophobicContact CG-CG 4.27Å; E585-L589 WeakPolarHBondContact O-CG 3.44Å; E585-L589 PolarHBondContact O-N 2.74Å; L586-L589 PolarHBondContact O-N 3.42Å; L589-M647 HydrophobicContact CB-CE 3.7Å; L589-M647 HydrophobicContact CB-SD 3.56Å; L589-M647 VanDerWaalsContact CB-SD 3.56Å; L589-M647 HydrophobicContact CD1-CE 3.73Å; L589-M647 HydrophobicContact CG-CE 4.33Å; L589-Y766 HydrophobicContact CD1-CE2 4.46Å
590S82.4Confident79.3Confident11 Ų1185.8 Ų85.88%0.07742%0.415CS..Hα-helixtrans-92.1-10.7-175.776.80000114.8L586 T592 A643L586-S590 VanDerWaalsContact O-CB 3.3Å; L586-S590 WeakPolarHBondContact O-CB 3.08Å; L586-S590 PolarHBondContact O-N 2.99Å; L586-S590 PolarHBondContact O-OG 3.5Å; S590-T592 PolarHBondContact O-N 3.33Å; S590-T592 VanDerWaalsContact O-N 3.09Å; S590-T592 PolarHBondContact O-OG1 2.74Å; S590-T592 PolarHBondContact OG-N 3.01Å; S590-T592 PolarHBondContact OG-O 2.86Å; S590-A643 WeakPolarHBondContact OG-CB 3.43Å
591N79.1Confident79.5Confident151 Ų15181.1 Ų81.181%0.80740%0.4SS*.THydrogen-bonded Turntrans49.133.4-172.1-68.1-34.9000113.4Q587Q587-N591 PolarHBondContact O-N 3.01Å; Q587-N591 VanDerWaalsContact O-N 3.08Å
592T75.5Confident79.7Confident50 Ų5082.8 Ų82.831%0.30741%0.407SS..SBendtrans-136.8135-174.1-56.50000107.8S590 A642S590-T592 PolarHBondContact O-N 3.33Å; S590-T592 VanDerWaalsContact O-N 3.09Å; S590-T592 PolarHBondContact O-OG1 2.74Å; S590-T592 PolarHBondContact OG-N 3.01Å; S590-T592 PolarHBondContact OG-O 2.86Å; T592-A642 HydrophobicContact CG2-CB 3.99Å
593E62.1Low79.7Confident156 Ų15687.9 Ų87.973%0.72943%0.429SS*.  trans-64.7129.8172.8-72-163.9160.300110.3S595E593-S595 PolarHBondContact O-N 3.36Å
594P58Low79.7Confident29 Ų2991.4 Ų91.419%0.18846%0.457CS..  trans-68.496179.123-28.6000110.6Q587 H596 A643Q587-P594 HydrophobicContact CB-CG 4.5Å; P594-H596 PolarHBondContact O-ND1 3.28Å; P594-A643 HydrophobicContact CB-CB 4.41Å
595S63.3Low80Confident56 Ų5688 Ų8839%0.39244%0.444SS..  trans-82.4115.8164.2-167.50000108.7E593 E640 N641E593-S595 PolarHBondContact O-N 3.36Å; S595-E640 VanDerWaalsContact O-O 3.12Å; S595-N641 VanDerWaalsContact O-CA 3.32Å; S595-N641 WeakPolarHBondContact O-CA 3.48Å
596H65.1Low80.2Confident87 Ų8792.3 Ų92.340%0.40346%0.461SS..EExtended strand (participates in β ladder)trans-114.787.5-18050.7-86.7000109.5P594 R677P594-H596 PolarHBondContact O-ND1 3.28Å; H596-R677 HydrophobicContact CB-CG 3.94Å
597K67.9Low80.5Confident136 Ų13695.4 Ų95.459%0.59148%0.476SS*.EExtended strand (participates in β ladder)trans-108.9118.3178.5-69.6-175.7-177.8177.20110.2E640K597-E640 PolarHBondContact N-O 3.36Å; K597-E640 VanDerWaalsContact N-O 3.13Å; K597-E640 PolarHBondContact O-N 2.78Å
598R82.4Confident80.7Confident102 Ų10292.4 Ų92.439%0.38546%0.461SS..EExtended strand (participates in β ladder)trans-88.1119.9159.3-73.9-167.5-70.5-179.9-4.9108.6D637 K638 S676R598-D637 HydrophobicContact CB-CB 4.45Å; R598-K638 CarbonylContact C-O 3.49Å; R598-K638 VanDerWaalsContact CA-O 3.29Å; R598-K638 WeakPolarHBondContact CA-O 3.34Å; R598-S676 WeakPolarHBondContact CD-OG 3.44Å; R598-S676 WeakPolarHBondContact CG-OG 3.23Å
599K86.4Confident80.9Confident140 Ų14087.9 Ų87.961%0.60944%0.444SS*.EExtended strand (participates in β ladder)trans-112.3113.8176.2-170.7177.5-179.9-178.30109.9V601 K638K599-V601 PolarHBondContact O-N 2.87Å; K599-K638 PolarHBondContact N-O 3.38Å; K599-K638 PolarHBondContact O-N 2.9Å
600T89.4Confident81.1Confident88 Ų8886.9 Ų86.954%0.5444%0.444SS..EExtended strand (participates in β ladder)trans-60.4125.4174.1-46.30000109.8K635 D637T600-K635 HydrophobicContact CG2-CG 4.35Å; T600-D637 WeakPolarHBondContact CA-OD1 3.46Å; T600-D637 PolarHBondContact OG1-OD1 3.25Å
601V91.6Very high81.4Confident15 Ų1586.9 Ų86.99%0.09144%0.442CS..PPolyproline II helixtrans-80.3133.7178.3-178.90000109.3K599 K603 S605 E607 F608 V636 K638K599-V601 PolarHBondContact O-N 2.87Å; V601-K603 PolarHBondContact O-N 2.93Å; V601-S605 VanDerWaalsContact CG1-OG 3.23Å; V601-S605 WeakPolarHBondContact CG1-OG 3.22Å; V601-E607 HydrophobicContact CG1-CB 4.04Å; V601-E607 HydrophobicContact CG1-CG 3.97Å; V601-F608 HydrophobicContact CG1-CB 4.06Å; V601-V636 HydrophobicContact CB-CB 4.33Å; V601-V636 WeakPolarHBondContact CB-O 3.46Å; V601-V636 HydrophobicContact CG2-CG1 4.21Å; V601-V636 WeakPolarHBondContact CG2-O 3.47Å; V601-V636 PolarHBondContact N-O 3.45Å; V601-K638 HydrophobicContact CG2-CB 4.19Å
602E89Confident81.7Confident140 Ų14081.1 Ų81.165%0.65441%0.413SS*.PPolyproline II helixtrans-64132.7178.3-66.9-178.1-175.900111.4S604 S605 F608E602-S604 PolarHBondContact O-N 3.35Å; E602-S605 VanDerWaalsContact O-CB 3.26Å; E602-S605 WeakPolarHBondContact O-CB 3.4Å; E602-S605 PolarHBondContact O-N 3.5Å; E602-S605 PolarHBondContact O-OG 3.08Å; E602-F608 VanDerWaalsContact O-CB 3.3Å; E602-F608 WeakPolarHBondContact O-CB 3.05Å
603K87.6Confident82Confident145 Ų14585 Ų8563%0.6343%0.428SS*.THydrogen-bonded Turntrans-61.5-26.1-177-67.2-173.2176.8-175.60114V601 S605 F608 V634V601-K603 PolarHBondContact O-N 2.93Å; K603-S605 VanDerWaalsContact C-N 3.34Å; K603-F608 HydrophobicContact CB-CD1 4.42Å; K603-F608 HydrophobicContact CB-CE1 4.42Å; K603-F608 HydrophobicContact CG-CE1 4.38Å; K603-F608 HydrophobicContact CG-CE2 4.16Å; K603-F608 HydrophobicContact CG-CZ 4.1Å; K603-F608 WeakPolarHBondContact O-CD1 3.2Å; K603-V634 VanDerWaalsContact CE-O 3.28Å; K603-V634 WeakPolarHBondContact CE-O 3.49Å; K603-V634 PolarHBondContact NZ-O 2.86Å
604S86.7Confident82.7Confident103 Ų10380.1 Ų80.172%0.7241%0.414SS*.THydrogen-bonded Turntrans-81.6-10.5177.148.90000113.5E602E602-S604 PolarHBondContact O-N 3.35Å
605S92.1Very high83.8Confident29 Ų2978.8 Ų78.820%0.20341%0.405CS..SBendtrans-74.1151-17571.30000112.4V601 E602 K603 E607 F608 S609V601-S605 VanDerWaalsContact CG1-OG 3.23Å; V601-S605 WeakPolarHBondContact CG1-OG 3.22Å; E602-S605 VanDerWaalsContact O-CB 3.26Å; E602-S605 WeakPolarHBondContact O-CB 3.4Å; E602-S605 PolarHBondContact O-N 3.5Å; E602-S605 PolarHBondContact O-OG 3.08Å; K603-S605 VanDerWaalsContact C-N 3.34Å; S605-E607 PolarHBondContact O-N 3.41Å; S605-F608 PolarHBondContact O-N 3.48Å; S605-F608 VanDerWaalsContact O-N 3.16Å; S605-F608 PolarHBondContact OG-N 3.39Å; S605-S609 PolarHBondContact O-N 3.48Å; S605-S609 VanDerWaalsContact O-N 3.12Å; S605-S609 PolarHBondContact O-OG 2.96Å
606K89.6Confident84.1Confident191 Ų19178 Ų7883%0.8340%0.4SS*.Hα-helixtrans-58.5-33.1170.5-69.3-174.8178.8-179.10112S609 S610K606-S609 PolarHBondContact O-N 2.97Å; K606-S610 WeakPolarHBondContact O-CB 3.22Å; K606-S610 PolarHBondContact O-N 3.17Å; K606-S610 PolarHBondContact O-OG 2.96Å
607E90.8Very high84.1Confident67 Ų6780.4 Ų80.431%0.31341%0.411SS..Hα-helixtrans-64-41.3176.7-177.5173.8-168.200111.6V601 S605 S610 R611 Y772V601-E607 HydrophobicContact CG1-CB 4.04Å; V601-E607 HydrophobicContact CG1-CG 3.97Å; S605-E607 PolarHBondContact O-N 3.41Å; E607-S610 PolarHBondContact O-OG 3.24Å; E607-S610 VanDerWaalsContact O-OG 3.1Å; E607-R611 WeakPolarHBondContact O-CD 3.45Å; E607-R611 PolarHBondContact O-NE 3.39Å; E607-R611 IonicContact OE1-NH2 2.73Å; E607-R611 PolarHBondContact OE1-NH2 3.06Å; E607-Y772 WeakPolarHBondContact OE1-CE1 3.49Å; E607-Y772 PolarHBondContact OE1-OH 2.91Å
608F90.7Very high83.7Confident18 Ų1874.6 Ų74.68%0.07939%0.389CS..Hα-helixtrans-68.2-45.3174.3-172.4-89.8000111.9V601 E602 K603 S605 S610 R611 C612 P633 V636V601-F608 HydrophobicContact CG1-CB 4.06Å; E602-F608 VanDerWaalsContact O-CB 3.3Å; E602-F608 WeakPolarHBondContact O-CB 3.05Å; K603-F608 HydrophobicContact CB-CD1 4.42Å; K603-F608 HydrophobicContact CB-CE1 4.42Å; K603-F608 HydrophobicContact CG-CE1 4.38Å; K603-F608 HydrophobicContact CG-CE2 4.16Å; K603-F608 HydrophobicContact CG-CZ 4.1Å; K603-F608 WeakPolarHBondContact O-CD1 3.2Å; S605-F608 PolarHBondContact O-N 3.48Å; S605-F608 VanDerWaalsContact O-N 3.16Å; S605-F608 PolarHBondContact OG-N 3.39Å; F608-S610 PolarHBondContact O-N 3.18Å; F608-R611 PolarHBondContact O-N 2.8Å; F608-C612 WeakPolarHBondContact CE1-SG 3.5Å; F608-C612 PolarHBondContact O-N 3.21Å; F608-C612 VanDerWaalsContact O-N 3.11Å; F608-C612 PolarHBondContact O-SG 2.79Å; F608-P633 HydrophobicContact CZ-CB 4.49Å; F608-P633 WeakPolarHBondContact CZ-O 3.41Å; F608-V636 HydrophobicContact CD2-CB 3.99Å; F608-V636 HydrophobicContact CD2-CG2 3.69Å; F608-V636 HydrophobicContact CE2-CB 4.21Å; F608-V636 HydrophobicContact CE2-CG2 3.67Å
609S86.9Confident82.7Confident53 Ų5371.1 Ų71.137%0.37138%0.378SS..Hα-helixtrans-61.8-40.5-178.7-630000113S605 K606 R611 C612 E613S605-S609 PolarHBondContact O-N 3.48Å; S605-S609 VanDerWaalsContact O-N 3.12Å; S605-S609 PolarHBondContact O-OG 2.96Å; K606-S609 PolarHBondContact O-N 2.97Å; S609-R611 VanDerWaalsContact C-N 3.3Å; S609-R611 PolarHBondContact O-N 3.42Å; S609-C612 WeakPolarHBondContact O-CB 3.45Å; S609-C612 PolarHBondContact O-N 3.38Å; S609-E613 WeakPolarHBondContact O-CG 3.36Å; S609-E613 PolarHBondContact O-N 2.86Å
610S86.9Confident81.2Confident58 Ų5871 Ų7141%0.40638%0.377SS..Hα-helixtrans-63.7-33.3179.565.70000113K606 E607 F608 E613 A614K606-S610 WeakPolarHBondContact O-CB 3.22Å; K606-S610 PolarHBondContact O-N 3.17Å; K606-S610 PolarHBondContact O-OG 2.96Å; E607-S610 PolarHBondContact O-OG 3.24Å; E607-S610 VanDerWaalsContact O-OG 3.1Å; F608-S610 PolarHBondContact O-N 3.18Å; S610-E613 WeakPolarHBondContact O-CB 3.44Å; S610-E613 PolarHBondContact O-N 2.99Å; S610-A614 PolarHBondContact O-N 3.12Å
611R88.8Confident79.3Confident11 Ų1169.4 Ų69.44%0.04237%0.367CS..Hα-helixtrans-76.7-36.5174.9-79.983.282.691.3-4.9111.6E607 F608 S609 E613 A614 F615 E721 Y772 I774E607-R611 WeakPolarHBondContact O-CD 3.45Å; E607-R611 PolarHBondContact O-NE 3.39Å; E607-R611 IonicContact OE1-NH2 2.73Å; E607-R611 PolarHBondContact OE1-NH2 3.06Å; F608-R611 PolarHBondContact O-N 2.8Å; S609-R611 VanDerWaalsContact C-N 3.3Å; S609-R611 PolarHBondContact O-N 3.42Å; R611-E613 PolarHBondContact O-N 2.79Å; R611-A614 PolarHBondContact O-N 2.89Å; R611-F615 WeakPolarHBondContact O-CD2 3.42Å; R611-F615 PolarHBondContact O-N 3.32Å; R611-E721 IonicContact NH1-OE1 2.73Å; R611-Y772 VanDerWaalsContact CZ-CD1 3.42Å; R611-Y772 VanDerWaalsContact CZ-CE1 3.46Å; R611-I774 HydrophobicContact CB-CD1 4.41Å; R611-I774 HydrophobicContact CG-CD1 4.11Å
612C85.2Confident77.2Confident29 Ų2970.3 Ų70.320%0.19637%0.373CS..Hα-helixtrans-56.4-40.8169.5-70.30000111.5F608 S609 F615 S616F608-C612 WeakPolarHBondContact CE1-SG 3.5Å; F608-C612 PolarHBondContact O-N 3.21Å; F608-C612 VanDerWaalsContact O-N 3.11Å; F608-C612 PolarHBondContact O-SG 2.79Å; S609-C612 WeakPolarHBondContact O-CB 3.45Å; S609-C612 PolarHBondContact O-N 3.38Å; C612-F615 PolarHBondContact O-N 3.3Å; C612-S616 WeakPolarHBondContact O-CB 2.92Å; C612-S616 PolarHBondContact O-N 3.27Å
613E82.1Confident75.1Confident132 Ų13269.3 Ų69.362%0.61737%0.366SS*.Hα-helixtrans-65.3-44.5175-72.1173.4-168.600112.6S609 S610 R611 F615 S616S609-E613 WeakPolarHBondContact O-CG 3.36Å; S609-E613 PolarHBondContact O-N 2.86Å; S610-E613 WeakPolarHBondContact O-CB 3.44Å; S610-E613 PolarHBondContact O-N 2.99Å; R611-E613 PolarHBondContact O-N 2.79Å; E613-F615 PolarHBondContact O-N 2.95Å; E613-S616 VanDerWaalsContact O-CB 3.28Å; E613-S616 WeakPolarHBondContact O-CB 3.32Å; E613-S616 PolarHBondContact O-N 3.42Å; E613-S616 PolarHBondContact O-OG 3.47Å
614A76.8Confident73.1Confident53 Ų5368.1 Ų68.144%0.43837%0.371SS..Hα-helixtrans-57.8-37.6175.800000112.1S610 R611S610-A614 PolarHBondContact O-N 3.12Å; R611-A614 PolarHBondContact O-N 2.89Å
615F80.4Confident71.2Confident1 Ų170.8 Ų70.80%0.00437%0.372CS..Hα-helixtrans-75.6-30.1175.2-81.2-115.4000112R611 C612 E613 H617 A618 L619 L630 P633 F664 I702 F719 I774 C776R611-F615 WeakPolarHBondContact O-CD2 3.42Å; R611-F615 PolarHBondContact O-N 3.32Å; C612-F615 PolarHBondContact O-N 3.3Å; E613-F615 PolarHBondContact O-N 2.95Å; F615-H617 PolarHBondContact O-N 2.89Å; F615-H617 VanDerWaalsContact O-N 3.15Å; F615-A618 WeakPolarHBondContact O-CB 3.3Å; F615-A618 PolarHBondContact O-N 3.39Å; F615-L619 WeakPolarHBondContact O-CG 3.35Å; F615-L619 PolarHBondContact O-N 2.82Å; F615-L630 HydrophobicContact CD1-CD2 4.43Å; F615-P633 HydrophobicContact CB-CG 4.19Å; F615-P633 HydrophobicContact CD1-CG 4.18Å; F615-P633 HydrophobicContact CD2-CG 4.23Å; F615-P633 HydrophobicContact CG-CG 3.93Å; F615-F664 HydrophobicContact CE2-CE1 4.32Å; F615-I702 HydrophobicContact CD1-CD1 4.31Å; F615-I702 HydrophobicContact CD1-CG1 3.99Å; F615-I702 HydrophobicContact CD1-CG2 4.18Å; F615-I702 HydrophobicContact CD2-CD1 4.35Å; F615-I702 HydrophobicContact CD2-CG1 4.14Å; F615-I702 HydrophobicContact CE1-CD1 3.65Å; F615-I702 HydrophobicContact CE1-CG1 3.84Å; F615-I702 HydrophobicContact CE1-CG2 4.09Å; F615-I702 HydrophobicContact CE2-CD1 3.69Å; F615-I702 HydrophobicContact CE2-CG1 4Å; F615-I702 HydrophobicContact CG-CG1 4.15Å; F615-I702 HydrophobicContact CZ-CD1 3.31Å; F615-I702 HydrophobicContact CZ-CG1 3.86Å; F615-F719 AromaticContact CE1-CD2 3.77Å; F615-F719 HydrophobicContact CE1-CD2 3.77Å; F615-F719 HydrophobicContact CE1-CE2 4.12Å; F615-F719 HydrophobicContact CE1-CG 4.14Å; F615-F719 HydrophobicContact CZ-CB 4.1Å; F615-F719 HydrophobicContact CZ-CD2 4.15Å; F615-F719 HydrophobicContact CZ-CG 4.15Å; F615-I774 HydrophobicContact CE1-CG2 4.05Å; F615-I774 HydrophobicContact CE2-CB 4.49Å; F615-I774 HydrophobicContact CE2-CD1 3.5Å; F615-I774 VanDerWaalsContact CE2-CD1 3.5Å; F615-I774 HydrophobicContact CE2-CG2 3.97Å; F615-I774 HydrophobicContact CZ-CB 4.04Å; F615-I774 HydrophobicContact CZ-CD1 3.8Å; F615-I774 HydrophobicContact CZ-CG2 3.59Å; F615-C776 VanDerWaalsContact CE1-SG 3.53Å
616S70.4Confident68.9Low41 Ų4179.1 Ų79.129%0.28740%0.404SS..Hα-helixtrans-58.2-30.4-177.981.70000114.2C612 E613 L619 K620C612-S616 WeakPolarHBondContact O-CB 2.92Å; C612-S616 PolarHBondContact O-N 3.27Å; E613-S616 VanDerWaalsContact O-CB 3.28Å; E613-S616 WeakPolarHBondContact O-CB 3.32Å; E613-S616 PolarHBondContact O-N 3.42Å; E613-S616 PolarHBondContact O-OG 3.47Å; S616-L619 WeakPolarHBondContact O-CB 3.36Å; S616-L619 PolarHBondContact O-N 2.99Å; S616-K620 WeakPolarHBondContact O-CG 3.42Å; S616-K620 PolarHBondContact O-N 3.06Å; S616-K620 VanDerWaalsContact O-N 3.1Å
617H64.3Low66.9Low137 Ų13774.9 Ų74.963%0.63439%0.387SS*.Hα-helixtrans-70-40.8176.7-164.9-90.1000111.7F615 L619 K620 V621F615-H617 PolarHBondContact O-N 2.89Å; F615-H617 VanDerWaalsContact O-N 3.15Å; H617-L619 VanDerWaalsContact C-N 3.3Å; H617-L619 PolarHBondContact O-N 3.39Å; H617-K620 PolarHBondContact O-N 3.29Å; H617-V621 PolarHBondContact O-N 2.86Å
618A60.4Low65.1Low14 Ų1477.5 Ų77.512%0.11640%0.398CS..Hα-helixtrans-66.3-32.9173.200000112.3F615 K620 T622 I702F615-A618 WeakPolarHBondContact O-CB 3.3Å; F615-A618 PolarHBondContact O-N 3.39Å; A618-K620 VanDerWaalsContact C-N 3.32Å; A618-K620 PolarHBondContact O-N 3.4Å; A618-T622 PolarHBondContact O-N 3.05Å; A618-T622 PolarHBondContact O-OG1 2.94Å; A618-I702 HydrophobicContact CB-CB 3.75Å; A618-I702 HydrophobicContact CB-CG2 4.12Å
619L60.2Low63.8Low29 Ų2979.7 Ų79.715%0.15241%0.407CS..Hα-helixtrans-69.3-23.9173.7-63-179.3000113.9F615 S616 H617 T622 L630 P632F615-L619 WeakPolarHBondContact O-CG 3.35Å; F615-L619 PolarHBondContact O-N 2.82Å; S616-L619 WeakPolarHBondContact O-CB 3.36Å; S616-L619 PolarHBondContact O-N 2.99Å; H617-L619 VanDerWaalsContact C-N 3.3Å; H617-L619 PolarHBondContact O-N 3.39Å; L619-T622 PolarHBondContact O-OG1 2.79Å; L619-L630 HydrophobicContact CD2-CB 3.68Å; L619-L630 HydrophobicContact CD2-CD2 4.49Å; L619-L630 HydrophobicContact CD2-CG 4.22Å; L619-L630 WeakPolarHBondContact CD2-O 3.44Å; L619-P632 HydrophobicContact CD1-CB 4.48Å; L619-P632 HydrophobicContact CD1-CG 3.99Å
620K55.6Low63.1Low136 Ų13677.6 Ų77.659%0.59139%0.392SS*.Hα-helixtrans-83.4-36.7177.2-75.6172.2-176.6175.20112.5S616 H617 A618 K623S616-K620 WeakPolarHBondContact O-CG 3.42Å; S616-K620 PolarHBondContact O-N 3.06Å; S616-K620 VanDerWaalsContact O-N 3.1Å; H617-K620 PolarHBondContact O-N 3.29Å; A618-K620 VanDerWaalsContact C-N 3.32Å; A618-K620 PolarHBondContact O-N 3.4Å; K620-K623 WeakPolarHBondContact O-CB 3.33Å; K620-K623 PolarHBondContact O-N 3.04Å
621V50.1Low62.6Low55 Ų5577.9 Ų77.933%0.33339%0.388SS..Hα-helixtrans-70-34.6-179.8176.90000112.1H617 K623 V624 K703H617-V621 PolarHBondContact O-N 2.86Å; V621-K623 VanDerWaalsContact C-N 3.27Å; V621-K623 PolarHBondContact O-N 3.23Å; V621-V624 PolarHBondContact O-N 2.94Å; V621-K703 HydrophobicContact CG1-CD 4.13Å
622T47.7Very low62.2Low35 Ų3580.7 Ų80.722%0.21541%0.408CS..G310 helixtrans-66.8-23.9175.739.70000113.4A618 L619 V624 H625A618-T622 PolarHBondContact O-N 3.05Å; A618-T622 PolarHBondContact O-OG1 2.94Å; L619-T622 PolarHBondContact O-OG1 2.79Å; T622-V624 PolarHBondContact O-N 3.41Å; T622-H625 PolarHBondContact O-N 2.93Å
623K43.2Very low62.4Low119 Ų11979.7 Ų79.752%0.51740%0.402SS..G310 helixtrans-61.9-26.9172.4-76-177.4173.9-179.40113.9K620 V621 H625 K626 K628K620-K623 WeakPolarHBondContact O-CB 3.33Å; K620-K623 PolarHBondContact O-N 3.04Å; V621-K623 VanDerWaalsContact C-N 3.27Å; V621-K623 PolarHBondContact O-N 3.23Å; K623-H625 PolarHBondContact O-N 2.9Å; K623-K626 PolarHBondContact O-N 3.09Å; K623-K628 VanDerWaalsContact CE-CE 3.49Å; K623-K628 HydrophobicContact CG-CG 4.2Å
624V45.8Very low62.7Low120 Ų12075.9 Ų75.973%0.72739%0.387SS*.G310 helixtrans-67.2-24.6-179.2-177.80000111.4V621 T622V621-V624 PolarHBondContact O-N 2.94Å; T622-V624 PolarHBondContact O-N 3.41Å
625H47.8Very low63.4Low159 Ų15975.8 Ų75.874%0.73638%0.377SS*.G310 helixtrans-98.524.9177-68.680.3000113.4T622 K623 E627T622-H625 PolarHBondContact O-N 2.93Å; K623-H625 PolarHBondContact O-N 2.9Å; H625-E627 PolarHBondContact O-N 3.03Å
626K42.7Very low64Low204 Ų20475.8 Ų75.889%0.88738%0.377SS*.THydrogen-bonded Turntrans60.5-3.6177.6-81.9-175177.1178.90118.2K623K623-K626 PolarHBondContact O-N 3.09Å
627E47.7Very low65Low101 Ų10174 Ų7447%0.47236%0.364SS..  trans-117.9113.5177.3-68-179.3173.200111.7H625 F629 S782H625-E627 PolarHBondContact O-N 3.03Å; E627-F629 VanDerWaalsContact C-N 3.33Å; E627-F629 PolarHBondContact O-N 3.29Å; E627-S782 VanDerWaalsContact CD-CB 3.46Å
628K53.3Low66.5Low123 Ų12370.4 Ų70.454%0.53535%0.347SS..  trans-71.491.5165.7-78.6-178.2-178.5173.20107.9K623 N779K623-K628 VanDerWaalsContact CE-CE 3.49Å; K623-K628 HydrophobicContact CG-CG 4.2Å; K628-N779 WeakPolarHBondContact O-CB 3.26Å; K628-N779 PolarHBondContact O-ND2 2.68Å
629F63.4Low68.1Low64 Ų6470.3 Ų70.328%0.28134%0.344SS..  trans-79-29.7-171.7-164.4-100000114.4E627 K778 N779E627-F629 VanDerWaalsContact C-N 3.33Å; E627-F629 PolarHBondContact O-N 3.29Å; F629-K778 HydrophobicContact CE1-CD 4.39Å; F629-K778 VanDerWaalsContact CE2-CE 3.42Å; F629-K778 HydrophobicContact CZ-CD 4.36Å; F629-K778 VanDerWaalsContact CZ-NZ 3.27Å; F629-K778 WeakPolarHBondContact O-CG 3.43Å; F629-N779 PolarHBondContact O-N 3.25Å
630L72.2Confident69.5Low9 Ų972.8 Ų72.85%0.04736%0.355CS..EExtended strand (participates in β ladder)trans-124.7142.5-173.8-167.163.3000110.8F615 L619 I702 L706 L717 F719 C776F615-L630 HydrophobicContact CD1-CD2 4.43Å; L619-L630 HydrophobicContact CD2-CB 3.68Å; L619-L630 HydrophobicContact CD2-CD2 4.49Å; L619-L630 HydrophobicContact CD2-CG 4.22Å; L619-L630 WeakPolarHBondContact CD2-O 3.44Å; L630-I702 HydrophobicContact CD2-CG2 4.14Å; L630-L706 HydrophobicContact CD2-CD1 4.4Å; L630-L717 HydrophobicContact CD1-CB 4.5Å; L630-L717 HydrophobicContact CD1-CD1 3.66Å; L630-L717 HydrophobicContact CD1-CG 4.22Å; L630-F719 HydrophobicContact CD2-CE2 4.22Å; L630-F719 HydrophobicContact CD2-CZ 4.31Å; L630-C776 HydrophobicContact CD1-CB 3.55Å; L630-C776 HydrophobicContact CD2-CB 4.28Å; L630-C776 HydrophobicContact CG-CB 4Å
631L75.9Confident71.3Confident63 Ų6366.9 Ų66.933%0.3333%0.33SS..EExtended strand (participates in β ladder)trans-94.5160.4170.4-60.9175.3000110.2K777 N779L631-K777 WeakPolarHBondContact CB-O 3.48Å; L631-K777 HydrophobicContact CD1-CB 4.15Å; L631-K777 HydrophobicContact CD1-CD 4.49Å; L631-K777 HydrophobicContact CD1-CG 4.2Å; L631-K777 PolarHBondContact N-O 3.44Å; L631-N779 HydrophobicContact CD2-CB 4.33Å; L631-N779 HydrophobicContact CG-CB 4.36Å
632P82.1Confident73.2Confident71 Ų7166.8 Ų66.846%0.46134%0.335SS..EExtended strand (participates in β ladder)trans-52.9156173.3-25.134.5000112.6L619 V634L619-P632 HydrophobicContact CD1-CB 4.48Å; L619-P632 HydrophobicContact CD1-CG 3.99Å; P632-V634 PolarHBondContact O-N 2.94Å
633P88.5Confident75.3Confident8 Ų865.1 Ų65.15%0.05233%0.325CS..EExtended strand (participates in β ladder)trans-46.6129.3174.2-29.936.3000112.6F608 F615 V636 I774 T775F608-P633 HydrophobicContact CZ-CB 4.49Å; F608-P633 WeakPolarHBondContact CZ-O 3.41Å; F615-P633 HydrophobicContact CB-CG 4.19Å; F615-P633 HydrophobicContact CD1-CG 4.18Å; F615-P633 HydrophobicContact CD2-CG 4.23Å; F615-P633 HydrophobicContact CG-CG 3.93Å; P633-V636 HydrophobicContact CB-CG2 4.17Å; P633-I774 HydrophobicContact CB-CG2 3.82Å; P633-I774 HydrophobicContact CG-CG2 3.82Å; P633-T775 CarbonylContact C-O 3.55Å; P633-T775 WeakPolarHBondContact CA-O 3.46Å
634V89.3Confident77.8Confident51 Ų5159.8 Ų59.831%0.30930%0.302SS..EExtended strand (participates in β ladder)trans-96.9-24.1176.8-64.40000111.8K603 P632 Y716 T775 K777K603-V634 VanDerWaalsContact CE-O 3.28Å; K603-V634 WeakPolarHBondContact CE-O 3.49Å; K603-V634 PolarHBondContact NZ-O 2.86Å; P632-V634 PolarHBondContact O-N 2.94Å; V634-Y716 HydrophobicContact CG2-CD1 4.23Å; V634-Y716 HydrophobicContact CG2-CE1 4.11Å; V634-T775 HydrophobicContact CG2-CG2 3.93Å; V634-T775 VanDerWaalsContact CG2-O 3.31Å; V634-T775 WeakPolarHBondContact CG2-O 3.23Å; V634-T775 PolarHBondContact N-O 3.47Å; V634-K777 HydrophobicContact CG1-CB 4.09Å
635K90.2Very high80.1Confident52 Ų5257.6 Ų57.623%0.22628%0.282CS..EExtended strand (participates in β ladder)trans-149.3143.3179.4-165.3-168.6-174.2-152.70109.7T600 D637 T775T600-K635 HydrophobicContact CG2-CG 4.35Å; K635-D637 WeakPolarHBondContact CE-OD1 3.46Å; K635-D637 VanDerWaalsContact CE-OD2 3.22Å; K635-D637 WeakPolarHBondContact CE-OD2 3.28Å; K635-D637 IonicContact NZ-OD1 2.82Å; K635-D637 IonicContact NZ-OD2 2.71Å; K635-D637 PolarHBondContact NZ-OD2 3.48Å; K635-T775 PolarHBondContact N-O 2.98Å; K635-T775 PolarHBondContact O-N 3.12Å
636V93.1Very high82.2Confident0 Ų051.3 Ų51.30%026%0.258CS..EExtended strand (participates in β ladder)trans-136.1119.5171.9-1780000108.2V601 F608 P633 Y772 I773 I774V601-V636 HydrophobicContact CB-CB 4.33Å; V601-V636 WeakPolarHBondContact CB-O 3.46Å; V601-V636 HydrophobicContact CG2-CG1 4.21Å; V601-V636 WeakPolarHBondContact CG2-O 3.47Å; V601-V636 PolarHBondContact N-O 3.45Å; F608-V636 HydrophobicContact CD2-CB 3.99Å; F608-V636 HydrophobicContact CD2-CG2 3.69Å; F608-V636 HydrophobicContact CE2-CB 4.21Å; F608-V636 HydrophobicContact CE2-CG2 3.67Å; P633-V636 HydrophobicContact CB-CG2 4.17Å; V636-Y772 HydrophobicContact CG1-CD1 4.23Å; V636-I773 WeakPolarHBondContact CA-O 3.06Å; V636-I774 HydrophobicContact CG1-CG1 4.14Å; V636-I774 HydrophobicContact CG2-CG1 4.36Å; V636-I774 HydrophobicContact CG2-CG2 4.25Å
637D92.5Very high84.7Confident4 Ų442.3 Ų42.32%0.02122%0.219CC..EExtended strand (participates in β ladder)trans-107.3123.7177.1-66.1-32.6000109.1R598 T600 K635 Y772 I773R598-D637 HydrophobicContact CB-CB 4.45Å; T600-D637 WeakPolarHBondContact CA-OD1 3.46Å; T600-D637 PolarHBondContact OG1-OD1 3.25Å; K635-D637 WeakPolarHBondContact CE-OD1 3.46Å; K635-D637 VanDerWaalsContact CE-OD2 3.22Å; K635-D637 WeakPolarHBondContact CE-OD2 3.28Å; K635-D637 IonicContact NZ-OD1 2.82Å; K635-D637 IonicContact NZ-OD2 2.71Å; K635-D637 PolarHBondContact NZ-OD2 3.48Å; D637-Y772 CarbonylContact O-C 3.6Å; D637-Y772 VanDerWaalsContact O-CA 3.24Å; D637-Y772 WeakPolarHBondContact O-CA 3.42Å; D637-I773 HydrophobicContact CB-CB 4.43Å; D637-I773 PolarHBondContact N-O 2.96Å; D637-I773 PolarHBondContact O-N 2.65Å
638K94.6Very high86.9Confident62 Ų6237.6 Ų37.627%0.2720%0.197SC..EExtended strand (participates in β ladder)trans-77130.9171.1-172.4175.9-174.2-1560109.8R598 K599 V601 E640 Y772R598-K638 CarbonylContact C-O 3.49Å; R598-K638 VanDerWaalsContact CA-O 3.29Å; R598-K638 WeakPolarHBondContact CA-O 3.34Å; K599-K638 PolarHBondContact N-O 3.38Å; K599-K638 PolarHBondContact O-N 2.9Å; V601-K638 HydrophobicContact CG2-CB 4.19Å; K638-E640 HydrophobicContact CD-CG 4.2Å; K638-E640 VanDerWaalsContact CE-OE1 3.26Å; K638-E640 WeakPolarHBondContact CE-OE1 3.46Å; K638-E640 HydrophobicContact CG-CG 4.09Å; K638-E640 IonicContact NZ-OE1 3.67Å; K638-E640 PolarHBondContact NZ-OE1 2.86Å; K638-Y772 HydrophobicContact CB-CD1 3.88Å; K638-Y772 HydrophobicContact CB-CE1 3.67Å; K638-Y772 HydrophobicContact CD-CE1 3.99Å; K638-Y772 HydrophobicContact CG-CD1 4.01Å; K638-Y772 HydrophobicContact CG-CE1 3.46Å; K638-Y772 VanDerWaalsContact CG-CE1 3.46Å
639V94.1Very high88.9Confident11 Ų1134.5 Ų34.57%0.06719%0.186CC..EExtended strand (participates in β ladder)trans-97.3116.1176.6-177.80000108.3P770 K771 I773V639-P770 HydrophobicContact CB-CB 4.49Å; V639-P770 HydrophobicContact CG1-CB 4.21Å; V639-P770 HydrophobicContact CG1-CG 4.08Å; V639-K771 PolarHBondContact N-O 3.16Å; V639-I773 HydrophobicContact CG2-CD1 4.02Å; V639-I773 HydrophobicContact CG2-CG1 3.86Å
640E90.4Very high90.3Very high82 Ų8236.3 Ų36.338%0.38320%0.197SC..EExtended strand (participates in β ladder)trans-118.8111.7175.7-64-176.2152.600108.9S595 K597 K638S595-E640 VanDerWaalsContact O-O 3.12Å; K597-E640 PolarHBondContact N-O 3.36Å; K597-E640 VanDerWaalsContact N-O 3.13Å; K597-E640 PolarHBondContact O-N 2.78Å; K638-E640 HydrophobicContact CD-CG 4.2Å; K638-E640 VanDerWaalsContact CE-OE1 3.26Å; K638-E640 WeakPolarHBondContact CE-OE1 3.46Å; K638-E640 HydrophobicContact CG-CG 4.09Å; K638-E640 IonicContact NZ-OE1 3.67Å; K638-E640 PolarHBondContact NZ-OE1 2.86Å
641N92.2Very high91.3Very high12 Ų1237.9 Ų37.96%0.06420%0.204CC..EExtended strand (participates in β ladder)trans-141.8106.6177.9-171.7-38.9000110.3S595 A643 L644 K645 S676 R677S595-N641 VanDerWaalsContact O-CA 3.32Å; S595-N641 WeakPolarHBondContact O-CA 3.48Å; N641-A643 PolarHBondContact OD1-N 2.84Å; N641-L644 HydrophobicContact CB-CB 4.11Å; N641-L644 HydrophobicContact CB-CD1 3.9Å; N641-L644 HydrophobicContact CB-CG 4.15Å; N641-L644 WeakPolarHBondContact ND2-CD1 3.32Å; N641-L644 PolarHBondContact OD1-N 3.12Å; N641-K645 WeakPolarHBondContact O-CB 3.49Å; N641-K645 PolarHBondContact O-N 2.8Å; N641-S676 PolarHBondContact ND2-O 2.92Å; N641-R677 PolarHBondContact ND2-O 3.24Å
642A91.4Very high92.2Very high52 Ų5238 Ų3843%0.4320%0.201SC..Hα-helixtrans-68.4-35.5-174.300000112.5T592 K645 A646T592-A642 HydrophobicContact CG2-CB 3.99Å; A642-K645 PolarHBondContact O-N 2.93Å; A642-A646 PolarHBondContact O-N 3.15Å
643A91.9Very high92.7Very high0 Ų042.8 Ų42.80%022%0.215CC..Hα-helixtrans-68.4-45.4179.500000111.1L586 S590 P594 N641 K645 A646 M647L586-A643 HydrophobicContact CD1-CB 4.15Å; L586-A643 HydrophobicContact CD2-CB 3.87Å; L586-A643 HydrophobicContact CG-CB 3.72Å; S590-A643 WeakPolarHBondContact OG-CB 3.43Å; P594-A643 HydrophobicContact CB-CB 4.41Å; N641-A643 PolarHBondContact OD1-N 2.84Å; A643-K645 VanDerWaalsContact C-N 3.29Å; A643-K645 PolarHBondContact O-N 3.19Å; A643-A646 PolarHBondContact O-N 2.8Å; A643-M647 PolarHBondContact O-N 3.33Å
644L94Very high92.8Very high8 Ų849 Ų494%0.04224%0.243CC..Hα-helixtrans-60.6-39.5172.3-69.3178.5000112.2L586 N641 M647 F648 I678 L769 P770L586-L644 HydrophobicContact CD1-CD2 4.07Å; L586-L644 HydrophobicContact CD2-CD2 3.66Å; L586-L644 HydrophobicContact CD2-CG 3.93Å; N641-L644 HydrophobicContact CB-CB 4.11Å; N641-L644 HydrophobicContact CB-CD1 3.9Å; N641-L644 HydrophobicContact CB-CG 4.15Å; N641-L644 WeakPolarHBondContact ND2-CD1 3.32Å; N641-L644 PolarHBondContact OD1-N 3.12Å; L644-M647 PolarHBondContact O-N 3.39Å; L644-F648 VanDerWaalsContact O-CB 3.28Å; L644-F648 WeakPolarHBondContact O-CB 3.26Å; L644-F648 PolarHBondContact O-N 2.92Å; L644-I678 WeakPolarHBondContact CD2-O 3.28Å; L644-L769 HydrophobicContact CB-CD1 4Å; L644-P770 HydrophobicContact CD1-CG 4.16Å
645K94.1Very high92.8Very high73 Ų7348 Ų4832%0.31724%0.236SC..Hα-helixtrans-62.4-43.5176.2178.458.1179.71490111.8N641 A642 A643 F648 D649 L769N641-K645 WeakPolarHBondContact O-CB 3.49Å; N641-K645 PolarHBondContact O-N 2.8Å; A642-K645 PolarHBondContact O-N 2.93Å; A643-K645 VanDerWaalsContact C-N 3.29Å; A643-K645 PolarHBondContact O-N 3.19Å; K645-F648 PolarHBondContact O-N 2.79Å; K645-D649 WeakPolarHBondContact CE-OD2 3.29Å; K645-D649 VanDerWaalsContact NZ-CG 3.27Å; K645-D649 IonicContact NZ-OD1 2.91Å; K645-D649 PolarHBondContact NZ-OD1 3.16Å; K645-D649 IonicContact NZ-OD2 3.42Å; K645-D649 PolarHBondContact NZ-OD2 3.15Å; K645-D649 VanDerWaalsContact NZ-OD2 3.13Å; K645-D649 WeakPolarHBondContact O-CB 3.24Å; K645-D649 PolarHBondContact O-N 3.01Å; K645-L769 HydrophobicContact CB-CD1 4.34Å; K645-L769 HydrophobicContact CD-CD2 3.53Å
646A93.3Very high92.7Very high27 Ų2752.9 Ų52.922%0.22327%0.265CS..Hα-helixtrans-62.1-47176.900000111.7A642 A643 F648 D649 M650A642-A646 PolarHBondContact O-N 3.15Å; A643-A646 PolarHBondContact O-N 2.8Å; A646-F648 VanDerWaalsContact C-N 3.34Å; A646-F648 PolarHBondContact O-N 2.87Å; A646-D649 PolarHBondContact O-N 3.34Å; A646-M650 WeakPolarHBondContact O-CG 3.5Å; A646-M650 PolarHBondContact O-N 3.03Å
647M94.3Very high92.4Very high15 Ų1553.7 Ų53.77%0.07427%0.27CS..Hα-helixtrans-62.3-41.1176.5-69.2-52.1-70.600112.5L586 L589 A643 L644 D649 M650 K651 Y766L586-M647 HydrophobicContact CD1-CB 4.29Å; L586-M647 HydrophobicContact CD1-CG 3.39Å; L589-M647 HydrophobicContact CB-CE 3.7Å; L589-M647 HydrophobicContact CB-SD 3.56Å; L589-M647 VanDerWaalsContact CB-SD 3.56Å; L589-M647 HydrophobicContact CD1-CE 3.73Å; L589-M647 HydrophobicContact CG-CE 4.33Å; A643-M647 PolarHBondContact O-N 3.33Å; L644-M647 PolarHBondContact O-N 3.39Å; M647-D649 PolarHBondContact O-N 3.19Å; M647-M650 PolarHBondContact O-N 3.08Å; M647-M650 HydrophobicContact SD-SD 4.06Å; M647-K651 WeakPolarHBondContact O-CB 3.46Å; M647-K651 PolarHBondContact O-N 3.4Å; M647-Y766 HydrophobicContact CB-CD1 3.73Å; M647-Y766 HydrophobicContact CB-CD2 4.46Å; M647-Y766 HydrophobicContact CB-CE1 4.2Å; M647-Y766 HydrophobicContact CB-CG 3.9Å; M647-Y766 HydrophobicContact CE-CD2 3.73Å; M647-Y766 HydrophobicContact CE-CE2 3.59Å; M647-Y766 HydrophobicContact CE-CG 4.31Å; M647-Y766 HydrophobicContact CG-CD1 4.28Å; M647-Y766 HydrophobicContact CG-CE1 4.24Å
648F95.2Very high91.7Very high2 Ų258 Ų581%0.00931%0.306CS..Hα-helixtrans-61.1-43.5174.3179.2-93.2000112.3L644 K645 A646 K651 K652 T660 E723 L725 Y766 Q767 L769L644-F648 VanDerWaalsContact O-CB 3.28Å; L644-F648 WeakPolarHBondContact O-CB 3.26Å; L644-F648 PolarHBondContact O-N 2.92Å; K645-F648 PolarHBondContact O-N 2.79Å; A646-F648 VanDerWaalsContact C-N 3.34Å; A646-F648 PolarHBondContact O-N 2.87Å; F648-K651 PolarHBondContact O-N 3.48Å; F648-K652 WeakPolarHBondContact O-CB 3.35Å; F648-K652 PolarHBondContact O-N 3.26Å; F648-T660 HydrophobicContact CE1-CG2 4.05Å; F648-T660 HydrophobicContact CZ-CG2 3.65Å; F648-E723 HydrophobicContact CE2-CB 4.47Å; F648-E723 VanDerWaalsContact CE2-O 3.3Å; F648-E723 WeakPolarHBondContact CE2-O 3.36Å; F648-E723 HydrophobicContact CZ-CB 3.94Å; F648-L725 HydrophobicContact CD2-CD1 3.87Å; F648-L725 HydrophobicContact CD2-CG 4.36Å; F648-L725 HydrophobicContact CE1-CD1 4.3Å; F648-L725 HydrophobicContact CE1-CG 4.41Å; F648-L725 HydrophobicContact CE2-CD1 3.6Å; F648-L725 HydrophobicContact CE2-CG 3.59Å; F648-L725 HydrophobicContact CG-CD1 4.36Å; F648-L725 HydrophobicContact CZ-CD1 3.84Å; F648-L725 HydrophobicContact CZ-CD2 4.08Å; F648-L725 HydrophobicContact CZ-CG 3.63Å; F648-Y766 WeakPolarHBondContact CA-O 3.26Å; F648-Y766 WeakPolarHBondContact CD2-O 3.24Å; F648-Q767 WeakPolarHBondContact CE2-O 3Å; F648-L769 HydrophobicContact CB-CB 4.24Å; F648-L769 HydrophobicContact CD1-CB 4.28Å; F648-L769 HydrophobicContact CD1-CD2 4.36Å; F648-L769 HydrophobicContact CD2-CB 3.64Å; F648-L769 HydrophobicContact CE2-CB 3.93Å; F648-L769 HydrophobicContact CG-CB 3.8Å; F648-L769 HydrophobicContact CZ-CB 4.36Å
649D94.4Very high91.4Very high58 Ų5858.9 Ų58.931%0.3132%0.32SS..Hα-helixtrans-69.2-34.5178.5-72.5-25.1000112.3K645 A646 M647 K652 K653K645-D649 WeakPolarHBondContact CE-OD2 3.29Å; K645-D649 VanDerWaalsContact NZ-CG 3.27Å; K645-D649 IonicContact NZ-OD1 2.91Å; K645-D649 PolarHBondContact NZ-OD1 3.16Å; K645-D649 IonicContact NZ-OD2 3.42Å; K645-D649 PolarHBondContact NZ-OD2 3.15Å; K645-D649 VanDerWaalsContact NZ-OD2 3.13Å; K645-D649 WeakPolarHBondContact O-CB 3.24Å; K645-D649 PolarHBondContact O-N 3.01Å; A646-D649 PolarHBondContact O-N 3.34Å; M647-D649 PolarHBondContact O-N 3.19Å; D649-K652 PolarHBondContact O-N 2.85Å; D649-K653 WeakPolarHBondContact O-CG 3.48Å; D649-K653 PolarHBondContact O-N 2.84Å
650M93.2Very high91.3Very high103 Ų10360.6 Ų60.651%0.50733%0.331SS..Hα-helixtrans-63.4-45.9170.1-72.617363.300111A646 M647 K652 K653 Q654A646-M650 WeakPolarHBondContact O-CG 3.5Å; A646-M650 PolarHBondContact O-N 3.03Å; M647-M650 PolarHBondContact O-N 3.08Å; M647-M650 HydrophobicContact SD-SD 4.06Å; M650-K652 VanDerWaalsContact C-N 3.33Å; M650-K652 PolarHBondContact O-N 2.78Å; M650-K653 PolarHBondContact O-N 3.01Å; M650-Q654 PolarHBondContact O-N 3.3Å
651K92.9Very high91.5Very high41 Ų4162.3 Ų62.318%0.17834%0.337CS..Hα-helixtrans-62.7-41177.2-16270.6-179.6173.80111.5M647 F648 K653 Q654 L655 L725 Q767M647-K651 WeakPolarHBondContact O-CB 3.46Å; M647-K651 PolarHBondContact O-N 3.4Å; F648-K651 PolarHBondContact O-N 3.48Å; K651-K653 VanDerWaalsContact C-N 3.3Å; K651-K653 PolarHBondContact O-N 3Å; K651-Q654 WeakPolarHBondContact O-CB 3.47Å; K651-Q654 PolarHBondContact O-N 2.84Å; K651-Q654 VanDerWaalsContact O-N 3.13Å; K651-L655 HydrophobicContact CG-CD1 4.29Å; K651-L655 HydrophobicContact CG-CG 4.47Å; K651-L655 WeakPolarHBondContact O-CG 3.32Å; K651-L655 PolarHBondContact O-N 3.44Å; K651-L725 HydrophobicContact CB-CD1 4.31Å; K651-Q767 HydrophobicContact CD-CG 4.45Å; K651-Q767 HydrophobicContact CG-CG 3.8Å
652K94.6Very high91.7Very high65 Ų6565.6 Ų65.628%0.28336%0.357SS..Hα-helixtrans-56.4-43.8175.3-173.3173.3-176.5179.30112.2F648 D649 M650 D656 C657 A658 L725F648-K652 WeakPolarHBondContact O-CB 3.35Å; F648-K652 PolarHBondContact O-N 3.26Å; D649-K652 PolarHBondContact O-N 2.85Å; M650-K652 VanDerWaalsContact C-N 3.33Å; M650-K652 PolarHBondContact O-N 2.78Å; K652-D656 PolarHBondContact O-N 3.43Å; K652-C657 WeakPolarHBondContact CE-O 3.44Å; K652-C657 VanDerWaalsContact CG-O 3.26Å; K652-C657 WeakPolarHBondContact CG-O 3.42Å; K652-C657 PolarHBondContact O-N 3.15Å; K652-A658 PolarHBondContact NZ-O 3.13Å; K652-L725 HydrophobicContact CB-CD1 3.81Å; K652-L725 HydrophobicContact CB-CD2 4Å; K652-L725 HydrophobicContact CD-CD2 4.16Å; K652-L725 HydrophobicContact CG-CD1 4.49Å; K652-L725 HydrophobicContact CG-CD2 3.76Å
653K92.9Very high91.9Very high173 Ų17363.3 Ų63.375%0.75234%0.338SS*.Hα-helixtrans-67.4-41.2175.5-69.2172.9-176.9176.80111.9D649 M650 K651 L655 D656D649-K653 WeakPolarHBondContact O-CG 3.48Å; D649-K653 PolarHBondContact O-N 2.84Å; M650-K653 PolarHBondContact O-N 3.01Å; K651-K653 VanDerWaalsContact C-N 3.3Å; K651-K653 PolarHBondContact O-N 3Å; K653-L655 VanDerWaalsContact C-N 3.3Å; K653-L655 PolarHBondContact O-N 2.74Å; K653-D656 PolarHBondContact O-N 3.16Å
654Q90.4Very high92.1Very high138 Ų13864.3 Ų64.365%0.64534%0.342SS*.Hα-helixtrans-60.5-40.3178.5-172.9-175.817.100112.2M650 K651 D656M650-Q654 PolarHBondContact O-N 3.3Å; K651-Q654 WeakPolarHBondContact O-CB 3.47Å; K651-Q654 PolarHBondContact O-N 2.84Å; K651-Q654 VanDerWaalsContact O-N 3.13Å; Q654-D656 VanDerWaalsContact C-N 3.3Å; Q654-D656 PolarHBondContact O-N 3.21Å
655L88.9Confident92.2Very high29 Ų2964 Ų6415%0.15234%0.341CS..THydrogen-bonded Turntrans-84.40.1-178.3-59.7-176.6000113.9K651 K653 C657 L725 D751 Q767K651-L655 HydrophobicContact CG-CD1 4.29Å; K651-L655 HydrophobicContact CG-CG 4.47Å; K651-L655 WeakPolarHBondContact O-CG 3.32Å; K651-L655 PolarHBondContact O-N 3.44Å; K653-L655 VanDerWaalsContact C-N 3.3Å; K653-L655 PolarHBondContact O-N 2.74Å; L655-C657 HydrophobicContact CB-CB 4.03Å; L655-C657 PolarHBondContact O-N 2.89Å; L655-C657 VanDerWaalsContact O-N 3.07Å; L655-L725 HydrophobicContact CD1-CB 4.22Å; L655-D751 HydrophobicContact CD1-CB 4.39Å; L655-D751 HydrophobicContact CD2-CB 4.26Å; L655-D751 WeakPolarHBondContact CD2-OD1 3.29Å; L655-Q767 HydrophobicContact CD1-CG 3.99Å
656D88.5Confident92.1Very high156 Ų15661 Ų6183%0.83433%0.327SS*.THydrogen-bonded Turntrans46.337.7-170.1-164.128.1000113.1K652 K653 Q654K652-D656 PolarHBondContact O-N 3.43Å; K653-D656 PolarHBondContact O-N 3.16Å; Q654-D656 VanDerWaalsContact C-N 3.3Å; Q654-D656 PolarHBondContact O-N 3.21Å
657C87.1Confident92Very high16 Ų1659.8 Ų59.811%0.10832%0.317CS..  trans-95.4107.7-169.7-168.10000110.8K652 L655 S659 L725K652-C657 WeakPolarHBondContact CE-O 3.44Å; K652-C657 VanDerWaalsContact CG-O 3.26Å; K652-C657 WeakPolarHBondContact CG-O 3.42Å; K652-C657 PolarHBondContact O-N 3.15Å; L655-C657 HydrophobicContact CB-CB 4.03Å; L655-C657 PolarHBondContact O-N 2.89Å; L655-C657 VanDerWaalsContact O-N 3.07Å; C657-S659 PolarHBondContact SG-O 2.98Å; C657-L725 HydrophobicContact CB-CD2 4.15Å
658A77.8Confident91.7Very high94 Ų9460.3 Ų60.378%0.77732%0.321SS*.  trans-70.2-35.8-178.400000113.4K652K652-A658 PolarHBondContact NZ-O 3.13Å
659S86.9Confident91.1Very high81 Ų8161.1 Ų61.157%0.56633%0.329SS*.  trans-113.9139.7-171.663.30000113.4C657C657-S659 PolarHBondContact SG-O 2.98Å
660T93.3Very high90.6Very high47 Ų4760.1 Ų60.129%0.28832%0.322SS..  trans-101.8158.1167.954.50000110.2F648 L725F648-T660 HydrophobicContact CE1-CG2 4.05Å; F648-T660 HydrophobicContact CZ-CG2 3.65Å; T660-L725 HydrophobicContact CG2-CD2 3.62Å; T660-L725 HydrophobicContact CG2-CG 4.37Å
661K94.6Very high90.4Very high118 Ų11855.5 Ų55.551%0.51330%0.299SS..EExtended strand (participates in β ladder)trans-115.6134.8168.5-65.2-166.2-171.31700110.3M663 V724 L726K661-M663 HydrophobicContact CB-CG 4.06Å; K661-M663 HydrophobicContact CB-SD 4.36Å; K661-M663 PolarHBondContact O-N 3.26Å; K661-V724 PolarHBondContact N-O 3.28Å; K661-V724 PolarHBondContact O-N 2.83Å; K661-L726 HydrophobicContact CD-CD1 3.61Å; K661-L726 HydrophobicContact CG-CD1 4.35Å
662T95.5Very high90.2Very high81 Ų8153.8 Ų53.850%0.49729%0.292SS..EExtended strand (participates in β ladder)trans-75.5121.7167.3-54.50000109.1E721 A722T662-E721 HydrophobicContact CG2-CG 3.65Å; T662-A722 CarbonylContact C-O 3.58Å; T662-A722 WeakPolarHBondContact CA-O 3.38Å
663M96.6Very high89.9Confident5 Ų554.5 Ų54.53%0.02530%0.297CS..EExtended strand (participates in β ladder)trans-139.8170.2-178.7-55.6-168.972.700110.8K661 F698 A699 R700 A722 V724 L726K661-M663 HydrophobicContact CB-CG 4.06Å; K661-M663 HydrophobicContact CB-SD 4.36Å; K661-M663 PolarHBondContact O-N 3.26Å; M663-F698 HydrophobicContact CB-CB 3.84Å; M663-F698 HydrophobicContact CB-CD1 4.21Å; M663-F698 HydrophobicContact CB-CG 4.41Å; M663-F698 HydrophobicContact CE-CB 3.9Å; M663-F698 WeakPolarHBondContact CE-O 3.32Å; M663-F698 HydrophobicContact SD-CB 3.95Å; M663-A699 CarbonylContact C-O 3.55Å; M663-A699 WeakPolarHBondContact CA-O 3.31Å; M663-A699 WeakPolarHBondContact CB-O 3.44Å; M663-R700 HydrophobicContact CE-CB 4.33Å; M663-A722 PolarHBondContact N-O 2.98Å; M663-A722 PolarHBondContact O-N 3.3Å; M663-V724 HydrophobicContact CB-CG2 3.91Å; M663-V724 HydrophobicContact CG-CB 4.43Å; M663-V724 HydrophobicContact CG-CG2 4.16Å; M663-V724 HydrophobicContact SD-CB 4.28Å; M663-V724 HydrophobicContact SD-CG2 4.37Å; M663-L726 HydrophobicContact SD-CD2 4.41Å
664F95.9Very high89.8Confident20 Ų2046.5 Ų46.59%0.08826%0.262CS..EExtended strand (participates in β ladder)trans-126.8139.8-171.4-57.4-86.2000111.5F615 A699 I702 V720 E721F615-F664 HydrophobicContact CE2-CE1 4.32Å; F664-A699 PolarHBondContact N-O 3.22Å; F664-A699 PolarHBondContact O-N 2.91Å; F664-I702 HydrophobicContact CB-CD1 4.21Å; F664-I702 HydrophobicContact CD1-CD1 3.53Å; F664-I702 HydrophobicContact CD2-CD1 4.07Å; F664-I702 HydrophobicContact CE1-CD1 3.84Å; F664-I702 HydrophobicContact CE2-CD1 4.35Å; F664-I702 HydrophobicContact CG-CD1 3.65Å; F664-I702 HydrophobicContact CZ-CD1 4.25Å; F664-V720 VanDerWaalsContact CA-O 3.31Å; F664-V720 WeakPolarHBondContact CA-O 3.46Å; F664-E721 HydrophobicContact CD1-CB 4.09Å; F664-E721 HydrophobicContact CD1-CG 4.31Å; F664-E721 HydrophobicContact CE1-CB 3.88Å; F664-E721 HydrophobicContact CE1-CG 3.75Å; F664-E721 HydrophobicContact CZ-CG 4.29Å
665Q95.9Very high89.9Confident1 Ų139.9 Ų39.91%0.00523%0.231CC..EExtended strand (participates in β ladder)trans-122.9130.2166.9-173.9177.375.800108.7I667 F680 A685 Y697 F698 W709 F719 V720Q665-I667 HydrophobicContact CG-CG2 3.94Å; Q665-F680 HydrophobicContact CB-CE1 4.25Å; Q665-F680 VanDerWaalsContact OE1-CD1 3.24Å; Q665-A685 HydrophobicContact CG-CB 4.11Å; Q665-Y697 PolarHBondContact NE2-O 3.35Å; Q665-F698 HydrophobicContact CB-CD1 4.39Å; Q665-F698 HydrophobicContact CB-CE1 4.36Å; Q665-W709 HydrophobicContact CB-CH2 4.25Å; Q665-W709 HydrophobicContact CG-CH2 3.8Å; Q665-W709 HydrophobicContact CG-CZ2 3.67Å; Q665-F719 CarbonylContact O-C 3.49Å; Q665-F719 WeakPolarHBondContact O-CA 3.46Å; Q665-V720 PolarHBondContact N-O 3.19Å; Q665-V720 PolarHBondContact O-N 2.71Å
666R92.9Very high90.1Very high11 Ų1138.7 Ų38.74%0.04223%0.225CC..EExtended strand (participates in β ladder)trans-85.3132169.4175.8175.2163.4-167.9-1.6108A685 W709 E714 L717 Y718 F719R666-A685 WeakPolarHBondContact O-CB 3.33Å; R666-W709 HydrophobicContact CB-CB 3.96Å; R666-W709 HydrophobicContact CB-CD2 3.89Å; R666-W709 HydrophobicContact CB-CE3 3.62Å; R666-W709 HydrophobicContact CB-CG 4.03Å; R666-W709 HydrophobicContact CB-CZ3 4.47Å; R666-W709 HydrophobicContact CG-CB 4.12Å; R666-W709 PolarHBondContact NH1-O 2.99Å; R666-E714 IonicContact CZ-OE2 2.72Å; R666-E714 IonicContact NE-OE2 3.86Å; R666-E714 IonicContact NH2-OE2 3.69Å; R666-E714 PolarHBondContact NH2-OE2 3.18Å; R666-L717 VanDerWaalsContact NH2-CD2 3.31Å; R666-Y718 WeakPolarHBondContact CA-O 3.37Å; R666-F719 HydrophobicContact CB-CD1 4.17Å; R666-F719 HydrophobicContact CB-CE1 4.13Å; R666-F719 HydrophobicContact CG-CE1 4.49Å
667I90.7Very high90.2Very high2 Ų233.7 Ų33.71%0.0120%0.195CC..EExtended strand (participates in β ladder)trans-129.4152-17863.9159.8000110.6Q665 F671 C672 I675 A685 Y718 V720Q665-I667 HydrophobicContact CG-CG2 3.94Å; I667-F671 HydrophobicContact CD1-CB 4.36Å; I667-C672 HydrophobicContact CD1-CB 4.27Å; I667-C672 VanDerWaalsContact CD1-SG 3.53Å; I667-I675 HydrophobicContact CD1-CD1 3.98Å; I667-I675 HydrophobicContact CG2-CD1 3.77Å; I667-A685 HydrophobicContact CB-CB 4.41Å; I667-A685 HydrophobicContact CG2-CB 3.81Å; I667-Y718 PolarHBondContact N-O 2.84Å; I667-Y718 WeakPolarHBondContact O-CB 3.32Å; I667-V720 HydrophobicContact CD1-CG2 3.57Å; I667-V720 HydrophobicContact CG1-CG2 3.78Å; I667-V720 HydrophobicContact CG2-CG2 3.99Å
668P86.5Confident90.5Very high25 Ų2533.1 Ų33.116%0.16219%0.191CC..  trans-60.6147.1163.3-25.533.4000112.1Q670 F671P668-Q670 HydrophobicContact CB-CG 4.14Å; P668-Q670 PolarHBondContact O-N 2.91Å; P668-Q670 VanDerWaalsContact O-N 3.13Å; P668-F671 HydrophobicContact CB-CD2 3.86Å; P668-F671 HydrophobicContact CB-CE2 4.24Å; P668-F671 HydrophobicContact CG-CD2 3.87Å; P668-F671 HydrophobicContact CG-CE2 4.04Å; P668-F671 PolarHBondContact O-N 2.82Å
669A84.2Confident91.2Very high20 Ų2028.7 Ų28.717%0.16515%0.154CC..G310 helixtrans-49.9-42.5-179.500000113F671 C672 Y718A669-F671 PolarHBondContact O-N 2.71Å; A669-F671 VanDerWaalsContact O-N 3.08Å; A669-C672 VanDerWaalsContact O-CB 3.32Å; A669-C672 WeakPolarHBondContact O-CB 3.49Å; A669-C672 PolarHBondContact O-N 2.93Å; A669-C672 VanDerWaalsContact O-N 3.07Å; A669-C672 PolarHBondContact O-SG 2.75Å; A669-C672 VanDerWaalsContact O-SG 3.38Å; A669-Y718 HydrophobicContact CB-CD2 3.97Å; A669-Y718 HydrophobicContact CB-CE1 4.11Å; A669-Y718 HydrophobicContact CB-CE2 3.42Å; A669-Y718 VanDerWaalsContact CB-CE2 3.42Å; A669-Y718 VanDerWaalsContact CB-CZ 3.47Å
670Q82.9Confident91.7Very high36 Ų3624.9 Ų24.917%0.16813%0.127CC..G310 helixtrans-59.9-21.2-176.868.3-176.45.500114.1K31 P668K31-Q670 HydrophobicContact CB-CB 4.3Å; K31-Q670 HydrophobicContact CG-CB 4.3Å; P668-Q670 HydrophobicContact CB-CG 4.14Å; P668-Q670 PolarHBondContact O-N 2.91Å; P668-Q670 VanDerWaalsContact O-N 3.13Å
671F89.9Confident91.6Very high6 Ų624 Ų243%0.02612%0.12CC..G310 helixtrans-96.1-3.1-179.6-62-60.4000113.9F517 Q575 I667 P668 A669 E673 M674 I675 C684F517-F671 AromaticContact CD2-CE1 3.84Å; F517-F671 HydrophobicContact CD2-CE1 3.84Å; F517-F671 HydrophobicContact CD2-CZ 4.13Å; F517-F671 HydrophobicContact CE2-CD1 4.4Å; F517-F671 AromaticContact CE2-CE1 3.57Å; F517-F671 HydrophobicContact CE2-CE1 3.57Å; F517-F671 HydrophobicContact CE2-CZ 4.18Å; Q575-F671 VanDerWaalsContact NE2-CE1 3.27Å; I667-F671 HydrophobicContact CD1-CB 4.36Å; P668-F671 HydrophobicContact CB-CD2 3.86Å; P668-F671 HydrophobicContact CB-CE2 4.24Å; P668-F671 HydrophobicContact CG-CD2 3.87Å; P668-F671 HydrophobicContact CG-CE2 4.04Å; P668-F671 PolarHBondContact O-N 2.82Å; A669-F671 PolarHBondContact O-N 2.71Å; A669-F671 VanDerWaalsContact O-N 3.08Å; F671-E673 VanDerWaalsContact C-N 3.3Å; F671-E673 PolarHBondContact O-N 3.47Å; F671-M674 HydrophobicContact CD1-CE 4.28Å; F671-M674 HydrophobicContact CD1-SD 3.88Å; F671-M674 HydrophobicContact CE1-CE 4.44Å; F671-M674 HydrophobicContact CE1-SD 4.35Å; F671-M674 PolarHBondContact O-N 3.46Å; F671-I675 PolarHBondContact O-N 3.39Å; F671-C684 HydrophobicContact CB-CB 4.22Å; F671-C684 HydrophobicContact CD1-CB 4.44Å; F671-C684 HydrophobicContact CD2-CB 4.35Å; F671-C684 WeakPolarHBondContact CD2-O 3.27Å; F671-C684 VanDerWaalsContact CE2-O 3.23Å; F671-C684 WeakPolarHBondContact CE2-O 3.5Å; F671-C684 HydrophobicContact CG-CB 4.11Å
672C88.8Confident91.3Very high5 Ų520 Ų203%0.03411%0.108CC..Hα-helixtrans-59.7-40-179.8-73.10000112.6I667 A669 S676 I773I667-C672 HydrophobicContact CD1-CB 4.27Å; I667-C672 VanDerWaalsContact CD1-SG 3.53Å; A669-C672 VanDerWaalsContact O-CB 3.32Å; A669-C672 WeakPolarHBondContact O-CB 3.49Å; A669-C672 PolarHBondContact O-N 2.93Å; A669-C672 VanDerWaalsContact O-N 3.07Å; A669-C672 PolarHBondContact O-SG 2.75Å; A669-C672 VanDerWaalsContact O-SG 3.38Å; C672-S676 PolarHBondContact O-N 3.02Å; C672-S676 PolarHBondContact O-OG 3.22Å; C672-I773 HydrophobicContact CB-CD1 3.97Å; C672-I773 HydrophobicContact CB-CG2 4.48Å; C672-I773 VanDerWaalsContact O-CD1 3.27Å; C672-I773 WeakPolarHBondContact O-CD1 3.4Å
673E87.3Confident91Very high80 Ų8018.6 Ų18.637%0.37410%0.096SC..Hα-helixtrans-70.5-46.6177.2-172.6178.9152.800111.4F671 I675 S676 R677F671-E673 VanDerWaalsContact C-N 3.3Å; F671-E673 PolarHBondContact O-N 3.47Å; E673-I675 PolarHBondContact O-N 3.05Å; E673-S676 WeakPolarHBondContact O-CB 3.46Å; E673-S676 PolarHBondContact O-N 3.48Å; E673-S676 VanDerWaalsContact O-N 3.07Å; E673-R677 WeakPolarHBondContact O-CG 3.42Å; E673-R677 PolarHBondContact O-N 3.41Å; E673-R677 VanDerWaalsContact O-N 3.16Å; E673-R677 IonicContact OE1-NH1 3.27Å; E673-R677 PolarHBondContact OE1-NH1 3.3Å
674M90.8Very high90.5Very high5 Ų518.4 Ų18.43%0.02510%0.096CC..Hα-helixtrans-53.9-51.9178.2-178.1179.8-76.200111.3F517 Q575 I579 F671 S676 R677 I678 C684F517-M674 HydrophobicContact CE1-CE 4.14Å; F517-M674 HydrophobicContact CE2-CE 3.96Å; F517-M674 HydrophobicContact CE2-SD 3.95Å; F517-M674 HydrophobicContact CZ-CE 3.54Å; F517-M674 HydrophobicContact CZ-SD 3.6Å; F517-M674 VanDerWaalsContact CZ-SD 3.6Å; Q575-M674 HydrophobicContact CB-CE 3.8Å; Q575-M674 HydrophobicContact CG-CE 3.91Å; I579-M674 HydrophobicContact CD1-CB 4.09Å; I579-M674 HydrophobicContact CD1-CE 3.82Å; I579-M674 HydrophobicContact CD1-CG 4.11Å; I579-M674 HydrophobicContact CG1-CB 4.42Å; I579-M674 HydrophobicContact CG1-CE 3.88Å; I579-M674 HydrophobicContact CG1-CG 3.92Å; F671-M674 HydrophobicContact CD1-CE 4.28Å; F671-M674 HydrophobicContact CD1-SD 3.88Å; F671-M674 HydrophobicContact CE1-CE 4.44Å; F671-M674 HydrophobicContact CE1-SD 4.35Å; F671-M674 PolarHBondContact O-N 3.46Å; M674-S676 PolarHBondContact O-N 3.05Å; M674-R677 PolarHBondContact O-N 2.83Å; M674-I678 HydrophobicContact CG-CD1 3.67Å; M674-I678 HydrophobicContact CG-CG1 3.83Å; M674-I678 VanDerWaalsContact O-CG1 3.31Å; M674-I678 WeakPolarHBondContact O-CG1 3.48Å; M674-I678 PolarHBondContact O-N 3.35Å; M674-I678 HydrophobicContact SD-CD1 4.42Å; M674-C684 VanDerWaalsContact SD-SG 3.63Å
675I92.8Very high90Very high0 Ų017.7 Ų17.70%09%0.094CC..Hα-helixtrans-61.6-32.3179.9-67.6-169.5000112.4I667 F671 E673 R677 G679 F680 C684 V720 P770I667-I675 HydrophobicContact CD1-CD1 3.98Å; I667-I675 HydrophobicContact CG2-CD1 3.77Å; F671-I675 PolarHBondContact O-N 3.39Å; E673-I675 PolarHBondContact O-N 3.05Å; I675-R677 VanDerWaalsContact C-N 3.28Å; I675-R677 PolarHBondContact O-N 3.29Å; I675-G679 WeakPolarHBondContact CA-O 3.39Å; I675-G679 VanDerWaalsContact O-CA 3.32Å; I675-G679 WeakPolarHBondContact O-CA 3.5Å; I675-G679 PolarHBondContact O-N 3.23Å; I675-G679 VanDerWaalsContact O-N 3.09Å; I675-F680 HydrophobicContact CD1-CD1 3.92Å; I675-F680 HydrophobicContact CD1-CE1 4Å; I675-F680 HydrophobicContact CG2-CD1 4.36Å; I675-F680 HydrophobicContact CG2-CE1 4.1Å; I675-F680 HydrophobicContact CG2-CZ 4.22Å; I675-C684 HydrophobicContact CD1-CB 4.34Å; I675-V720 HydrophobicContact CD1-CG2 4.19Å; I675-V720 HydrophobicContact CG2-CG1 4.14Å; I675-V720 HydrophobicContact CG2-CG2 4.47Å; I675-P770 HydrophobicContact CG2-CB 3.86Å; I675-P770 HydrophobicContact CG2-CG 4.13Å
676S92.3Very high89.5Confident4 Ų418.5 Ų18.53%0.02810%0.099CC..Hα-helixtrans-70.2-26.4177.2-56.50000113.1R598 N641 C672 E673 M674 I773R598-S676 WeakPolarHBondContact CD-OG 3.44Å; R598-S676 WeakPolarHBondContact CG-OG 3.23Å; N641-S676 PolarHBondContact ND2-O 2.92Å; C672-S676 PolarHBondContact O-N 3.02Å; C672-S676 PolarHBondContact O-OG 3.22Å; E673-S676 WeakPolarHBondContact O-CB 3.46Å; E673-S676 PolarHBondContact O-N 3.48Å; E673-S676 VanDerWaalsContact O-N 3.07Å; M674-S676 PolarHBondContact O-N 3.05Å; S676-I773 WeakPolarHBondContact OG-CD1 3.31Å
677R91.6Very high89.2Confident51 Ų5118.1 Ų18.119%0.19210%0.098CC..Hα-helixtrans-92.4-48.6-175.8-69.3175.868.7177.4-4.1112.4I579 E583 H596 N641 E673 M674 I675I579-R677 HydrophobicContact CG2-CB 4.41Å; E583-R677 IonicContact OE1-CZ 2.71Å; E583-R677 VanDerWaalsContact OE1-CZ 3.32Å; E583-R677 IonicContact OE1-NE 3.84Å; E583-R677 PolarHBondContact OE1-NE 2.9Å; E583-R677 IonicContact OE1-NH2 3.5Å; E583-R677 PolarHBondContact OE1-NH2 3.36Å; E583-R677 IonicContact OE2-CZ 2.89Å; E583-R677 IonicContact OE2-NE 2.75Å; E583-R677 IonicContact OE2-NH2 2.78Å; E583-R677 PolarHBondContact OE2-NH2 3.36Å; H596-R677 HydrophobicContact CB-CG 3.94Å; N641-R677 PolarHBondContact ND2-O 3.24Å; E673-R677 WeakPolarHBondContact O-CG 3.42Å; E673-R677 PolarHBondContact O-N 3.41Å; E673-R677 VanDerWaalsContact O-N 3.16Å; E673-R677 IonicContact OE1-NH1 3.27Å; E673-R677 PolarHBondContact OE1-NH1 3.3Å; M674-R677 PolarHBondContact O-N 2.83Å; I675-R677 VanDerWaalsContact C-N 3.28Å; I675-R677 PolarHBondContact O-N 3.29Å
678I92.5Very high88.7Confident4 Ų420.4 Ų20.42%0.02111%0.108CC..Hα-helixtrans-121-3.2-169.862169.5000114.1F578 I579 E582 E583 L644 M674 H681F578-I678 HydrophobicContact CD1-CD1 3.81Å; F578-I678 HydrophobicContact CE1-CD1 3.68Å; I579-I678 HydrophobicContact CG1-CD1 4.05Å; I579-I678 HydrophobicContact CG2-CG2 4.17Å; E582-I678 HydrophobicContact CB-CB 3.97Å; E582-I678 HydrophobicContact CB-CD1 3.95Å; E582-I678 HydrophobicContact CB-CG2 3.7Å; E582-I678 HydrophobicContact CG-CD1 4.08Å; E583-I678 HydrophobicContact CG-CG2 3.63Å; L644-I678 WeakPolarHBondContact CD2-O 3.28Å; M674-I678 HydrophobicContact CG-CD1 3.67Å; M674-I678 HydrophobicContact CG-CG1 3.83Å; M674-I678 VanDerWaalsContact O-CG1 3.31Å; M674-I678 WeakPolarHBondContact O-CG1 3.48Å; M674-I678 PolarHBondContact O-N 3.35Å; M674-I678 HydrophobicContact SD-CD1 4.42Å; I678-H681 WeakPolarHBondContact CD1-NE2 3.36Å
679G94.2Very high88.6Confident1 Ų121.5 Ų21.51%0.0111%0.113CC..  trans85.7-156.7177.900000112.8I675I675-G679 WeakPolarHBondContact CA-O 3.39Å; I675-G679 VanDerWaalsContact O-CA 3.32Å; I675-G679 WeakPolarHBondContact O-CA 3.5Å; I675-G679 PolarHBondContact O-N 3.23Å; I675-G679 VanDerWaalsContact O-N 3.09Å
680F95.4Very high88.7Confident1 Ų120.9 Ų20.90%0.00411%0.107CC..  trans-89.1132.4-171.3-67.9-83.4000112.5Q665 I675 I696 F698 V720 A722 G765 A768 P770Q665-F680 HydrophobicContact CB-CE1 4.25Å; Q665-F680 VanDerWaalsContact OE1-CD1 3.24Å; I675-F680 HydrophobicContact CD1-CD1 3.92Å; I675-F680 HydrophobicContact CD1-CE1 4Å; I675-F680 HydrophobicContact CG2-CD1 4.36Å; I675-F680 HydrophobicContact CG2-CE1 4.1Å; I675-F680 HydrophobicContact CG2-CZ 4.22Å; F680-I696 HydrophobicContact CB-CD1 4.08Å; F680-I696 HydrophobicContact CB-CG2 4.04Å; F680-I696 WeakPolarHBondContact O-CD1 3.48Å; F680-F698 HydrophobicContact CB-CZ 4.38Å; F680-F698 HydrophobicContact CD1-CE1 4.14Å; F680-F698 AromaticContact CD1-CZ 3.82Å; F680-F698 HydrophobicContact CD1-CZ 3.82Å; F680-F698 HydrophobicContact CD2-CE1 4.4Å; F680-F698 AromaticContact CD2-CZ 3.94Å; F680-F698 HydrophobicContact CD2-CZ 3.94Å; F680-F698 AromaticContact CE1-CE1 3.85Å; F680-F698 HydrophobicContact CE1-CE1 3.85Å; F680-F698 HydrophobicContact CE1-CZ 4.01Å; F680-F698 HydrophobicContact CE2-CE1 4.1Å; F680-F698 HydrophobicContact CE2-CZ 4.11Å; F680-F698 HydrophobicContact CG-CE1 4.41Å; F680-F698 AromaticContact CG-CZ 3.78Å; F680-F698 HydrophobicContact CG-CZ 3.78Å; F680-F698 AromaticContact CZ-CE1 3.83Å; F680-F698 HydrophobicContact CZ-CE1 3.83Å; F680-F698 HydrophobicContact CZ-CZ 4.16Å; F680-V720 HydrophobicContact CE1-CB 4.04Å; F680-V720 HydrophobicContact CE1-CG1 3.94Å; F680-V720 HydrophobicContact CZ-CB 4.06Å; F680-V720 HydrophobicContact CZ-CG1 3.52Å; F680-A722 HydrophobicContact CE2-CB 3.65Å; F680-A722 HydrophobicContact CZ-CB 3.61Å; F680-G765 WeakPolarHBondContact O-CA 3.21Å; F680-A768 HydrophobicContact CD2-CB 3.46Å; F680-A768 VanDerWaalsContact CD2-CB 3.46Å; F680-A768 HydrophobicContact CE2-CB 3.81Å; F680-A768 HydrophobicContact CG-CB 4.27Å; F680-P770 HydrophobicContact CE2-CB 3.84Å; F680-P770 HydrophobicContact CE2-CG 4.22Å; F680-P770 HydrophobicContact CZ-CB 4.03Å
681H92.8Very high89Confident28 Ų2824.3 Ų24.313%0.1312%0.122CC..  trans-128.3149.8173.2-65.6-93000109.8F578 E582 I678 E683 C684F578-H681 AromaticContact CE1-CE1 3.82Å; F578-H681 AromaticContact CE1-ND1 3.78Å; F578-H681 AromaticContact CZ-CE1 3.85Å; F578-H681 AromaticContact CZ-ND1 3.62Å; E582-H681 IonicContact OE2-CE1 3.32Å; E582-H681 PolarHBondContact OE2-CE1 2.81Å; I678-H681 WeakPolarHBondContact CD1-NE2 3.36Å; H681-E683 WeakPolarHBondContact CB-OE2 3.38Å; H681-E683 PolarHBondContact O-N 2.81Å; H681-C684 PolarHBondContact O-N 3.48Å
682A88.5Confident89Confident33 Ų3327.2 Ų27.227%0.27313%0.133SC..G310 helixtrans-66.3-28.7-176.500000111.5C684 I696A682-C684 VanDerWaalsContact C-N 3.28Å; A682-C684 PolarHBondContact O-N 3.38Å; A682-I696 HydrophobicContact CB-CG1 4.23Å
683E88.8Confident89Confident52 Ų5227 Ų2724%0.24313%0.131CC..G310 helixtrans-67.1-24.9179.7-6278.3-174.900112.9N516 F517 H681N516-E683 HydrophobicContact CB-CB 3.93Å; N516-E683 HydrophobicContact CB-CG 4.27Å; F517-E683 HydrophobicContact CD2-CB 4.15Å; F517-E683 HydrophobicContact CE2-CB 3.73Å; F517-E683 HydrophobicContact CZ-CB 4.09Å; H681-E683 WeakPolarHBondContact CB-OE2 3.38Å; H681-E683 PolarHBondContact O-N 2.81Å
684C86.8Confident89Confident1 Ų127.1 Ų27.11%0.00713%0.132CC..G310 helixtrans-73-37.1-174.3-62.70000113.3F671 M674 I675 H681 A682F671-C684 HydrophobicContact CB-CB 4.22Å; F671-C684 HydrophobicContact CD1-CB 4.44Å; F671-C684 HydrophobicContact CD2-CB 4.35Å; F671-C684 WeakPolarHBondContact CD2-O 3.27Å; F671-C684 VanDerWaalsContact CE2-O 3.23Å; F671-C684 WeakPolarHBondContact CE2-O 3.5Å; F671-C684 HydrophobicContact CG-CB 4.11Å; M674-C684 VanDerWaalsContact SD-SG 3.63Å; I675-C684 HydrophobicContact CD1-CB 4.34Å; H681-C684 PolarHBondContact O-N 3.48Å; A682-C684 VanDerWaalsContact C-N 3.28Å; A682-C684 PolarHBondContact O-N 3.38Å
685A84.9Confident89Confident6 Ų627.3 Ų27.35%0.0514%0.136CC..  trans-157.463.5-173.400000112.2Q665 R666 I667 W709Q665-A685 HydrophobicContact CG-CB 4.11Å; R666-A685 WeakPolarHBondContact O-CB 3.33Å; I667-A685 HydrophobicContact CB-CB 4.41Å; I667-A685 HydrophobicContact CG2-CB 3.81Å; A685-W709 PolarHBondContact O-NE1 3.4Å
686P84.9Confident89.1Confident18 Ų1827.8 Ų27.812%0.11714%0.138CC..  trans-57.1140.616831.5-40.1000109.6N516 G546 W709N516-P686 WeakPolarHBondContact ND2-CG 3.29Å; G546-P686 VanDerWaalsContact O-CB 3.26Å; G546-P686 WeakPolarHBondContact O-CB 3.2Å; G546-P686 WeakPolarHBondContact O-CG 3.12Å; P686-W709 PolarHBondContact O-NE1 3.26Å
687P86.6Confident89.2Confident3 Ų327.7 Ų27.72%0.01914%0.137CC..  trans-69158.6171.432.6-37.2000110.3D689 P690 Y697 L708P687-D689 PolarHBondContact O-N 2.97Å; P687-P690 HydrophobicContact CG-CB 4.18Å; P687-Y697 HydrophobicContact CB-CD1 4.31Å; P687-Y697 HydrophobicContact CB-CG 4.41Å; P687-Y697 HydrophobicContact CG-CD1 3.78Å; P687-Y697 HydrophobicContact CG-CD2 3.67Å; P687-Y697 HydrophobicContact CG-CE1 3.8Å; P687-Y697 HydrophobicContact CG-CE2 3.72Å; P687-Y697 HydrophobicContact CG-CG 3.72Å; P687-L708 HydrophobicContact CB-CD2 4.49Å
688E80.9Confident89.5Confident49 Ų4925.3 Ų25.323%0.22913%0.128CC..SBendtrans-63.1-13.1177.3-154.4-153.1146.600112.9K545 L708 R710K545-E688 VanDerWaalsContact CB-O 3.28Å; K545-E688 WeakPolarHBondContact CB-O 3.46Å; K545-E688 HydrophobicContact CD-CG 4.27Å; K545-E688 IonicContact NZ-OE1 2.71Å; K545-E688 PolarHBondContact NZ-OE1 3.13Å; E688-L708 PolarHBondContact N-O 2.89Å; E688-R710 IonicContact OE1-NH2 2.91Å; E688-R710 IonicContact OE2-CZ 3.28Å; E688-R710 IonicContact OE2-NE 3.11Å; E688-R710 PolarHBondContact OE2-NE 2.92Å; E688-R710 IonicContact OE2-NH2 3.03Å; E688-R710 PolarHBondContact OE2-NH2 3.4Å
689D84.4Confident89.7Confident48 Ų4825.1 Ų25.126%0.25713%0.127SC..SBendtrans-151.3104.1170.6-170.99.1000110.4P687 K691 R734P687-D689 PolarHBondContact O-N 2.97Å; D689-K691 HydrophobicContact CB-CG 4.19Å; D689-K691 VanDerWaalsContact CG-CG 3.45Å; D689-K691 PolarHBondContact O-N 3.07Å; D689-K691 WeakPolarHBondContact OD2-CE 3.18Å; D689-K691 WeakPolarHBondContact OD2-CG 3.22Å; D689-K691 IonicContact OD2-NZ 2.67Å; D689-R734 IonicContact OD1-CZ 3.55Å; D689-R734 VanDerWaalsContact OD1-CZ 3.22Å; D689-R734 IonicContact OD1-NH1 3.17Å; D689-R734 PolarHBondContact OD1-NH1 3.4Å; D689-R734 IonicContact OD1-NH2 3.27Å; D689-R734 PolarHBondContact OD1-NH2 3.01Å; D689-R734 IonicContact OD2-NH2 3.52Å; D689-R734 PolarHBondContact OD2-NH2 3.22Å
690P86.1Confident89.6Confident7 Ų732.3 Ų32.35%0.04515%0.154CC..  trans-76.165.7179.830.8-34.6000111.7P687 Y692 Y697P687-P690 HydrophobicContact CG-CB 4.18Å; P690-Y692 PolarHBondContact O-N 3.18Å; P690-Y692 VanDerWaalsContact O-N 3.11Å; P690-Y697 WeakPolarHBondContact CA-OH 3.49Å; P690-Y697 HydrophobicContact CB-CE2 4.21Å
691K88.2Confident89.4Confident109 Ų10934.8 Ų34.847%0.47417%0.167SC..THydrogen-bonded Turntrans-65-14.9-174.6-67.5-174.6179.7-178.90115.5D689 Y697 E733 R734D689-K691 HydrophobicContact CB-CG 4.19Å; D689-K691 VanDerWaalsContact CG-CG 3.45Å; D689-K691 PolarHBondContact O-N 3.07Å; D689-K691 WeakPolarHBondContact OD2-CE 3.18Å; D689-K691 WeakPolarHBondContact OD2-CG 3.22Å; D689-K691 IonicContact OD2-NZ 2.67Å; K691-Y697 PolarHBondContact N-OH 3.18Å; K691-E733 CarbonylContact O-C 3.56Å; K691-R734 PolarHBondContact O-N 3.29Å
692Y90.8Very high89.1Confident67 Ų6733.7 Ų33.726%0.26316%0.162SC..THydrogen-bonded Turntrans-124.4-0.9-162.8-53.7-54.2000112.9P690 Y697 G732 E733 V753 G755 V759P690-Y692 PolarHBondContact O-N 3.18Å; P690-Y692 VanDerWaalsContact O-N 3.11Å; Y692-Y697 AromaticContact CD2-CE1 3.98Å; Y692-Y697 HydrophobicContact CD2-CE1 3.98Å; Y692-Y697 PolarHBondContact N-OH 3.46Å; Y692-G732 WeakPolarHBondContact O-CA 3.34Å; Y692-E733 CarbonylContact C-O 3.59Å; Y692-E733 PolarHBondContact O-N 3.21Å; Y692-V753 WeakPolarHBondContact O-CG2 3.41Å; Y692-G755 VanDerWaalsContact CD2-CA 3.48Å; Y692-G755 VanDerWaalsContact CE2-CA 3.49Å; Y692-G755 PolarHBondContact OH-O 3.35Å; Y692-V759 HydrophobicContact CD2-CG1 4.01Å; Y692-V759 HydrophobicContact CE2-CB 4.39Å; Y692-V759 HydrophobicContact CE2-CG1 4.19Å
693G89.1Confident89Confident0 Ų036.6 Ų36.60%017%0.169CC..  trans142.3171.7179.200000111.6G695 Y697 E733 F736G693-G695 VanDerWaalsContact C-N 3.31Å; G693-Y697 PolarHBondContact N-OH 3.5Å; G693-Y697 VanDerWaalsContact O-CE2 3.27Å; G693-Y697 WeakPolarHBondContact O-CE2 3.18Å; G693-Y697 PolarHBondContact O-OH 2.83Å; G693-E733 WeakPolarHBondContact CA-O 3.45Å; G693-E733 PolarHBondContact N-O 2.92Å; G693-E733 VanDerWaalsContact N-O 3.16Å; G693-F736 CarbonylContact C-O 3.58Å; G693-F736 VanDerWaalsContact CA-O 3.3Å; G693-F736 WeakPolarHBondContact CA-O 3.27Å
694E87.4Confident89.1Confident82 Ų8234.7 Ų34.738%0.38316%0.161SC..SBendtrans-95.321.4179.7-55.8-56.8139.100112.3F736 I737E694-F736 PolarHBondContact N-O 3.25Å; E694-I737 HydrophobicContact CB-CG2 4.36Å; E694-I737 HydrophobicContact CG-CG2 4.21Å
695G90.2Very high89.2Confident10 Ų1034.7 Ų34.710%0.10316%0.16CC..SBendtrans-88.5-164.5179.100000114G693 Y697 I762G693-G695 VanDerWaalsContact C-N 3.31Å; G695-Y697 VanDerWaalsContact O-CD2 3.31Å; G695-Y697 WeakPolarHBondContact O-CD2 3.39Å; G695-I762 CarbonylContact C-O 3.55Å; G695-I762 WeakPolarHBondContact CA-O 3.4Å
696I94.7Very high89.3Confident9 Ų935.6 Ų35.65%0.04617%0.165CC..EExtended strand (participates in β ladder)trans-91.9119.7-178-49.9169.7000109.9F680 A682 F698 V761 I762F680-I696 HydrophobicContact CB-CD1 4.08Å; F680-I696 HydrophobicContact CB-CG2 4.04Å; F680-I696 WeakPolarHBondContact O-CD1 3.48Å; A682-I696 HydrophobicContact CB-CG1 4.23Å; I696-F698 HydrophobicContact CB-CE2 4.12Å; I696-F698 HydrophobicContact CG2-CD2 4.37Å; I696-F698 HydrophobicContact CG2-CE2 3.49Å; I696-F698 VanDerWaalsContact CG2-CE2 3.49Å; I696-F698 HydrophobicContact CG2-CZ 3.94Å; I696-V761 WeakPolarHBondContact O-CA 3.28Å; I696-I762 HydrophobicContact CB-CD1 4.44Å; I696-I762 HydrophobicContact CB-CG1 3.82Å; I696-I762 HydrophobicContact CD1-CG1 4.41Å; I696-I762 PolarHBondContact N-O 3.03Å; I696-I762 PolarHBondContact O-N 3.24Å
697Y95.4Very high89.4Confident3 Ų339.3 Ų39.31%0.01218%0.18CC..EExtended strand (participates in β ladder)trans-87.9137.8-174.1-80-110.5000113.3Q665 P687 P690 K691 Y692 G693 G695 V759 V761Q665-Y697 PolarHBondContact NE2-O 3.35Å; P687-Y697 HydrophobicContact CB-CD1 4.31Å; P687-Y697 HydrophobicContact CB-CG 4.41Å; P687-Y697 HydrophobicContact CG-CD1 3.78Å; P687-Y697 HydrophobicContact CG-CD2 3.67Å; P687-Y697 HydrophobicContact CG-CE1 3.8Å; P687-Y697 HydrophobicContact CG-CE2 3.72Å; P687-Y697 HydrophobicContact CG-CG 3.72Å; P690-Y697 WeakPolarHBondContact CA-OH 3.49Å; P690-Y697 HydrophobicContact CB-CE2 4.21Å; K691-Y697 PolarHBondContact N-OH 3.18Å; Y692-Y697 AromaticContact CD2-CE1 3.98Å; Y692-Y697 HydrophobicContact CD2-CE1 3.98Å; Y692-Y697 PolarHBondContact N-OH 3.46Å; G693-Y697 PolarHBondContact N-OH 3.5Å; G693-Y697 VanDerWaalsContact O-CE2 3.27Å; G693-Y697 WeakPolarHBondContact O-CE2 3.18Å; G693-Y697 PolarHBondContact O-OH 2.83Å; G695-Y697 VanDerWaalsContact O-CD2 3.31Å; G695-Y697 WeakPolarHBondContact O-CD2 3.39Å; Y697-V759 HydrophobicContact CD1-CG1 3.92Å; Y697-V759 HydrophobicContact CE1-CG1 4.29Å; Y697-V761 HydrophobicContact CD1-CG2 3.71Å; Y697-V761 HydrophobicContact CD2-CG1 4.09Å; Y697-V761 HydrophobicContact CD2-CG2 4.04Å; Y697-V761 HydrophobicContact CE1-CG2 3.52Å; Y697-V761 HydrophobicContact CE2-CG1 3.94Å; Y697-V761 HydrophobicContact CE2-CG2 3.85Å; Y697-V761 HydrophobicContact CG-CG2 3.96Å
698F97.1Very high89.4Confident0 Ų040.4 Ų40.40%019%0.186CC..EExtended strand (participates in β ladder)trans-132.2135.3173.7-69.6-89.5000111.3M663 Q665 F680 I696 A722 V724 V759 S760 I762 A768M663-F698 HydrophobicContact CB-CB 3.84Å; M663-F698 HydrophobicContact CB-CD1 4.21Å; M663-F698 HydrophobicContact CB-CG 4.41Å; M663-F698 HydrophobicContact CE-CB 3.9Å; M663-F698 WeakPolarHBondContact CE-O 3.32Å; M663-F698 HydrophobicContact SD-CB 3.95Å; Q665-F698 HydrophobicContact CB-CD1 4.39Å; Q665-F698 HydrophobicContact CB-CE1 4.36Å; F680-F698 HydrophobicContact CB-CZ 4.38Å; F680-F698 HydrophobicContact CD1-CE1 4.14Å; F680-F698 AromaticContact CD1-CZ 3.82Å; F680-F698 HydrophobicContact CD1-CZ 3.82Å; F680-F698 HydrophobicContact CD2-CE1 4.4Å; F680-F698 AromaticContact CD2-CZ 3.94Å; F680-F698 HydrophobicContact CD2-CZ 3.94Å; F680-F698 AromaticContact CE1-CE1 3.85Å; F680-F698 HydrophobicContact CE1-CE1 3.85Å; F680-F698 HydrophobicContact CE1-CZ 4.01Å; F680-F698 HydrophobicContact CE2-CE1 4.1Å; F680-F698 HydrophobicContact CE2-CZ 4.11Å; F680-F698 HydrophobicContact CG-CE1 4.41Å; F680-F698 AromaticContact CG-CZ 3.78Å; F680-F698 HydrophobicContact CG-CZ 3.78Å; F680-F698 AromaticContact CZ-CE1 3.83Å; F680-F698 HydrophobicContact CZ-CE1 3.83Å; F680-F698 HydrophobicContact CZ-CZ 4.16Å; I696-F698 HydrophobicContact CB-CE2 4.12Å; I696-F698 HydrophobicContact CG2-CD2 4.37Å; I696-F698 HydrophobicContact CG2-CE2 3.49Å; I696-F698 VanDerWaalsContact CG2-CE2 3.49Å; I696-F698 HydrophobicContact CG2-CZ 3.94Å; F698-A722 HydrophobicContact CD1-CB 4.36Å; F698-A722 HydrophobicContact CE1-CB 3.78Å; F698-V724 HydrophobicContact CB-CG2 4.49Å; F698-V724 HydrophobicContact CD1-CG2 3.64Å; F698-V724 HydrophobicContact CD2-CG1 4.34Å; F698-V724 HydrophobicContact CD2-CG2 4.31Å; F698-V724 HydrophobicContact CE1-CG2 3.88Å; F698-V724 HydrophobicContact CG-CG2 3.87Å; F698-V724 HydrophobicContact CZ-CG2 4.34Å; F698-V759 WeakPolarHBondContact O-CA 3.48Å; F698-S760 PolarHBondContact N-O 3Å; F698-S760 PolarHBondContact O-N 3.38Å; F698-I762 HydrophobicContact CD2-CD1 4.15Å; F698-I762 HydrophobicContact CD2-CG1 4.22Å; F698-I762 HydrophobicContact CE2-CD1 3.37Å; F698-I762 HydrophobicContact CE2-CG1 3.75Å; F698-I762 HydrophobicContact CZ-CD1 4.08Å; F698-A768 HydrophobicContact CE1-CB 4.05Å; F698-A768 HydrophobicContact CE2-CB 4Å; F698-A768 HydrophobicContact CZ-CB 3.41Å; F698-A768 VanDerWaalsContact CZ-CB 3.41Å
699A95.8Very high89.8Confident0 Ų038.8 Ų38.80%018%0.178CC..EExtended strand (participates in β ladder)trans-98.8138.3174.600000111M663 F664 N701 T704 A705 L708 W709 D758M663-A699 CarbonylContact C-O 3.55Å; M663-A699 WeakPolarHBondContact CA-O 3.31Å; M663-A699 WeakPolarHBondContact CB-O 3.44Å; F664-A699 PolarHBondContact N-O 3.22Å; F664-A699 PolarHBondContact O-N 2.91Å; A699-N701 VanDerWaalsContact C-N 3.25Å; A699-N701 PolarHBondContact O-N 3.45Å; A699-T704 HydrophobicContact CB-CG2 4Å; A699-A705 HydrophobicContact CB-CB 3.79Å; A699-L708 HydrophobicContact CB-CD1 4.19Å; A699-W709 HydrophobicContact CB-CZ3 4.28Å; A699-D758 CarbonylContact C-O 3.11Å; A699-D758 WeakPolarHBondContact CA-O 3.28Å
700R93.5Very high89.4Confident152 Ų15243.3 Ų43.357%0.57419%0.191SC*.SBendtrans-66.5-28.7177-176.9175.9-178.3-177.5-0.8112.9M663 T757 D758M663-R700 HydrophobicContact CE-CB 4.33Å; R700-T757 WeakPolarHBondContact CD-O 3.37Å; R700-D758 HydrophobicContact CB-CB 4.18Å; R700-D758 WeakPolarHBondContact CD-OD1 3.42Å; R700-D758 PolarHBondContact N-O 3.11Å
701N89.6Confident88.5Confident54 Ų5446.9 Ų46.929%0.28921%0.207SC..SBendtrans-147.3163.7-17565.568.4000111A699 K703 T704 A705 D758A699-N701 VanDerWaalsContact C-N 3.25Å; A699-N701 PolarHBondContact O-N 3.45Å; N701-K703 VanDerWaalsContact C-N 3.29Å; N701-K703 PolarHBondContact O-N 3.01Å; N701-K703 WeakPolarHBondContact OD1-CB 2.96Å; N701-K703 PolarHBondContact OD1-N 2.96Å; N701-K703 VanDerWaalsContact OD1-N 3.12Å; N701-T704 PolarHBondContact ND2-OG1 2.93Å; N701-T704 PolarHBondContact O-N 3.43Å; N701-T704 PolarHBondContact OD1-N 2.9Å; N701-T704 PolarHBondContact OD1-OG1 3.34Å; N701-A705 PolarHBondContact O-N 3.07Å; N701-D758 PolarHBondContact ND2-OD1 3.4Å
702I88.1Confident87.1Confident5 Ų551.3 Ų51.33%0.02623%0.226CC..Hα-helixtrans-64.2-32.4-175.5-55.1-55.6000112.6F615 A618 L630 F664 A705 L706 F719F615-I702 HydrophobicContact CD1-CD1 4.31Å; F615-I702 HydrophobicContact CD1-CG1 3.99Å; F615-I702 HydrophobicContact CD1-CG2 4.18Å; F615-I702 HydrophobicContact CD2-CD1 4.35Å; F615-I702 HydrophobicContact CD2-CG1 4.14Å; F615-I702 HydrophobicContact CE1-CD1 3.65Å; F615-I702 HydrophobicContact CE1-CG1 3.84Å; F615-I702 HydrophobicContact CE1-CG2 4.09Å; F615-I702 HydrophobicContact CE2-CD1 3.69Å; F615-I702 HydrophobicContact CE2-CG1 4Å; F615-I702 HydrophobicContact CG-CG1 4.15Å; F615-I702 HydrophobicContact CZ-CD1 3.31Å; F615-I702 HydrophobicContact CZ-CG1 3.86Å; A618-I702 HydrophobicContact CB-CB 3.75Å; A618-I702 HydrophobicContact CB-CG2 4.12Å; L630-I702 HydrophobicContact CD2-CG2 4.14Å; F664-I702 HydrophobicContact CB-CD1 4.21Å; F664-I702 HydrophobicContact CD1-CD1 3.53Å; F664-I702 HydrophobicContact CD2-CD1 4.07Å; F664-I702 HydrophobicContact CE1-CD1 3.84Å; F664-I702 HydrophobicContact CE2-CD1 4.35Å; F664-I702 HydrophobicContact CG-CD1 3.65Å; F664-I702 HydrophobicContact CZ-CD1 4.25Å; I702-A705 PolarHBondContact O-N 3.2Å; I702-L706 HydrophobicContact CG2-CD1 4.31Å; I702-L706 WeakPolarHBondContact O-CG 3.41Å; I702-L706 PolarHBondContact O-N 3.02Å; I702-F719 HydrophobicContact CD1-CD1 4.08Å; I702-F719 HydrophobicContact CD1-CG 4.38Å; I702-F719 HydrophobicContact CG2-CE1 3.97Å; I702-F719 HydrophobicContact CG2-CZ 4.01Å
703K86.1Confident85.8Confident94 Ų9450 Ų5041%0.40923%0.233SC..Hα-helixtrans-61.8-50.5176.4176.2-170.7167.3-172.20110.1V621 N701 A705 L706 E707V621-K703 HydrophobicContact CG1-CD 4.13Å; N701-K703 VanDerWaalsContact C-N 3.29Å; N701-K703 PolarHBondContact O-N 3.01Å; N701-K703 WeakPolarHBondContact OD1-CB 2.96Å; N701-K703 PolarHBondContact OD1-N 2.96Å; N701-K703 VanDerWaalsContact OD1-N 3.12Å; K703-A705 VanDerWaalsContact C-N 3.3Å; K703-A705 PolarHBondContact O-N 2.88Å; K703-L706 WeakPolarHBondContact O-CB 2.97Å; K703-L706 PolarHBondContact O-N 3.09Å; K703-E707 WeakPolarHBondContact CE-OE1 3.46Å; K703-E707 IonicContact NZ-OE1 3.07Å; K703-E707 WeakPolarHBondContact O-CG 3.41Å; K703-E707 PolarHBondContact O-N 2.98Å; K703-E707 VanDerWaalsContact O-N 3.09Å
704T89.8Confident85.1Confident12 Ų1251.2 Ų51.27%0.07424%0.239CC..Hα-helixtrans-63.3-36.5177.8-55.70000111.6A699 N701 L706 E707 L708 D758 V759A699-T704 HydrophobicContact CB-CG2 4Å; N701-T704 PolarHBondContact ND2-OG1 2.93Å; N701-T704 PolarHBondContact O-N 3.43Å; N701-T704 PolarHBondContact OD1-N 2.9Å; N701-T704 PolarHBondContact OD1-OG1 3.34Å; T704-L706 PolarHBondContact O-N 3.24Å; T704-E707 PolarHBondContact O-N 2.93Å; T704-L708 HydrophobicContact CG2-CD1 4.25Å; T704-L708 HydrophobicContact CG2-CG 4.42Å; T704-L708 WeakPolarHBondContact O-CG 2.94Å; T704-L708 PolarHBondContact O-N 2.82Å; T704-D758 HydrophobicContact CG2-CB 3.95Å; T704-D758 WeakPolarHBondContact OG1-CB 3.49Å; T704-V759 HydrophobicContact CG2-CG2 3.62Å
705A90.3Very high84.8Confident0 Ų049.7 Ų49.70%023%0.231CC..Hα-helixtrans-60.9-44.7173.500000111.9A699 N701 I702 K703 E707 L708 W709 F719A699-A705 HydrophobicContact CB-CB 3.79Å; N701-A705 PolarHBondContact O-N 3.07Å; I702-A705 PolarHBondContact O-N 3.2Å; K703-A705 VanDerWaalsContact C-N 3.3Å; K703-A705 PolarHBondContact O-N 2.88Å; A705-E707 VanDerWaalsContact C-N 3.26Å; A705-E707 PolarHBondContact O-N 3.28Å; A705-L708 PolarHBondContact O-N 3.49Å; A705-W709 HydrophobicContact CB-CE3 4.1Å; A705-W709 HydrophobicContact CB-CZ3 3.99Å; A705-W709 PolarHBondContact O-N 2.75Å; A705-W709 VanDerWaalsContact O-N 3.1Å; A705-F719 HydrophobicContact CB-CD1 4.17Å; A705-F719 HydrophobicContact CB-CE1 3.93Å
706L86.5Confident84.6Confident26 Ų2650 Ų5014%0.13623%0.229CC..Hα-helixtrans-62.8-32.1176.1-71.7168.4000113L630 I702 K703 T704 R710 L717 F719L630-L706 HydrophobicContact CD2-CD1 4.4Å; I702-L706 HydrophobicContact CG2-CD1 4.31Å; I702-L706 WeakPolarHBondContact O-CG 3.41Å; I702-L706 PolarHBondContact O-N 3.02Å; K703-L706 WeakPolarHBondContact O-CB 2.97Å; K703-L706 PolarHBondContact O-N 3.09Å; T704-L706 PolarHBondContact O-N 3.24Å; L706-R710 WeakPolarHBondContact O-CG 3.26Å; L706-L717 HydrophobicContact CD2-CD1 3.67Å; L706-F719 HydrophobicContact CD2-CE1 4.49Å; L706-F719 HydrophobicContact CD2-CZ 3.93Å; L706-F719 HydrophobicContact CG-CZ 4.28Å
707E86.4Confident84.3Confident95 Ų9549.7 Ų49.744%0.44423%0.228SC..Hα-helixtrans-75.7-33178.1-71.7170.5179.700113.2K703 T704 A705 R710K703-E707 WeakPolarHBondContact CE-OE1 3.46Å; K703-E707 IonicContact NZ-OE1 3.07Å; K703-E707 WeakPolarHBondContact O-CG 3.41Å; K703-E707 PolarHBondContact O-N 2.98Å; K703-E707 VanDerWaalsContact O-N 3.09Å; T704-E707 PolarHBondContact O-N 2.93Å; A705-E707 VanDerWaalsContact C-N 3.26Å; A705-E707 PolarHBondContact O-N 3.28Å; E707-R710 WeakPolarHBondContact O-CG 3.42Å; E707-R710 PolarHBondContact O-NH1 2.92Å
708L88Confident84.1Confident26 Ų2649.8 Ų49.814%0.13623%0.228CC..Hα-helixtrans-76.6-40.4178.8-74.9175.5000112.8P687 E688 A699 T704 A705 V759P687-L708 HydrophobicContact CB-CD2 4.49Å; E688-L708 PolarHBondContact N-O 2.89Å; A699-L708 HydrophobicContact CB-CD1 4.19Å; T704-L708 HydrophobicContact CG2-CD1 4.25Å; T704-L708 HydrophobicContact CG2-CG 4.42Å; T704-L708 WeakPolarHBondContact O-CG 2.94Å; T704-L708 PolarHBondContact O-N 2.82Å; A705-L708 PolarHBondContact O-N 3.49Å; L708-V759 HydrophobicContact CD1-CG1 4.19Å; L708-V759 HydrophobicContact CD1-CG2 4.02Å; L708-V759 HydrophobicContact CD2-CG2 4.33Å; L708-V759 HydrophobicContact CG-CG2 4.5Å
709W88.3Confident84Confident16 Ų1649.8 Ų49.86%0.06123%0.228CC..  trans-113.889.9-178.9-63.9-79.4000109Q665 R666 A685 P686 A699 A705Q665-W709 HydrophobicContact CB-CH2 4.25Å; Q665-W709 HydrophobicContact CG-CH2 3.8Å; Q665-W709 HydrophobicContact CG-CZ2 3.67Å; R666-W709 HydrophobicContact CB-CB 3.96Å; R666-W709 HydrophobicContact CB-CD2 3.89Å; R666-W709 HydrophobicContact CB-CE3 3.62Å; R666-W709 HydrophobicContact CB-CG 4.03Å; R666-W709 HydrophobicContact CB-CZ3 4.47Å; R666-W709 HydrophobicContact CG-CB 4.12Å; R666-W709 PolarHBondContact NH1-O 2.99Å; A685-W709 PolarHBondContact O-NE1 3.4Å; P686-W709 PolarHBondContact O-NE1 3.26Å; A699-W709 HydrophobicContact CB-CZ3 4.28Å; A705-W709 HydrophobicContact CB-CE3 4.1Å; A705-W709 HydrophobicContact CB-CZ3 3.99Å; A705-W709 PolarHBondContact O-N 2.75Å; A705-W709 VanDerWaalsContact O-N 3.1Å
710R76.4Confident84.1Confident143 Ų14349.8 Ų49.854%0.5423%0.228SC..  trans-99.239.2-173.7-67.5-174.5-62.7-1053.4114.1E688 L706 E707 K712E688-R710 IonicContact OE1-NH2 2.91Å; E688-R710 IonicContact OE2-CZ 3.28Å; E688-R710 IonicContact OE2-NE 3.11Å; E688-R710 PolarHBondContact OE2-NE 2.92Å; E688-R710 IonicContact OE2-NH2 3.03Å; E688-R710 PolarHBondContact OE2-NH2 3.4Å; L706-R710 WeakPolarHBondContact O-CG 3.26Å; E707-R710 WeakPolarHBondContact O-CG 3.42Å; E707-R710 PolarHBondContact O-NH1 2.92Å; R710-K712 PolarHBondContact O-N 3.17Å
711E67.3Low84.2Confident81 Ų8143.8 Ų43.838%0.37921%0.207SC..  trans-63.6139.6180-71.8-171.6177.300112.5
712K58.3Low84.6Confident203 Ų20341.2 Ų41.288%0.88319%0.193SC*.SBendtrans-98.9135-178.1-65.8-176.5179.5-178.40109.6R710R710-K712 PolarHBondContact O-N 3.17Å
713G64.1Low85.1Confident38 Ų3843 Ų4339%0.39220%0.201SC..SBendtrans97.16.116900000116.6R498R498-G713 PolarHBondContact NE-O 3.48Å; R498-G713 PolarHBondContact NH2-O 3.2Å
714E73.8Confident85.6Confident27 Ų2738.6 Ų38.613%0.12618%0.182CC..  trans-82.7135.7170.7-62.3-173.6133.300111.3R666 L717 K778R666-E714 IonicContact CZ-OE2 2.72Å; R666-E714 IonicContact NE-OE2 3.86Å; R666-E714 IonicContact NH2-OE2 3.69Å; R666-E714 PolarHBondContact NH2-OE2 3.18Å; E714-L717 HydrophobicContact CB-CD2 3.88Å; E714-L717 WeakPolarHBondContact OE2-CD2 3.36Å; E714-K778 WeakPolarHBondContact O-CD 3.3Å
715E80.8Confident86Confident49 Ų4938 Ų3823%0.22918%0.179CC..SBendtrans-86.6-37.6172.6-176.3176.2176.400111K777 K778E715-K777 WeakPolarHBondContact OE1-CE 3.49Å; E715-K777 IonicContact OE1-NZ 3.35Å; E715-K777 PolarHBondContact OE1-NZ 3.03Å; E715-K778 VanDerWaalsContact O-CB 3.32Å; E715-K778 WeakPolarHBondContact O-CB 3.39Å; E715-K778 PolarHBondContact O-N 3.28Å
716Y86.8Confident86.1Confident17 Ų1738.8 Ų38.87%0.06718%0.183CC..EExtended strand (participates in β ladder)trans-110.1137.1174.4-66.4-89000111E491 H494 E495 V634 Y718 T775 C776 K777E491-Y716 HydrophobicContact CB-CD1 4.09Å; E491-Y716 HydrophobicContact CB-CD2 4.32Å; E491-Y716 HydrophobicContact CB-CE1 4.11Å; E491-Y716 HydrophobicContact CB-CE2 4.38Å; E491-Y716 HydrophobicContact CB-CG 4.18Å; E491-Y716 HydrophobicContact CG-CD1 3.85Å; E491-Y716 HydrophobicContact CG-CD2 4.03Å; E491-Y716 HydrophobicContact CG-CE1 4.38Å; E491-Y716 HydrophobicContact CG-CG 3.64Å; H494-Y716 HydrophobicContact CB-CE2 3.99Å; E495-Y716 HydrophobicContact CG-CD2 4.5Å; E495-Y716 PolarHBondContact OE1-N 2.62Å; V634-Y716 HydrophobicContact CG2-CD1 4.23Å; V634-Y716 HydrophobicContact CG2-CE1 4.11Å; Y716-Y718 WeakPolarHBondContact O-CE2 3.46Å; Y716-T775 HydrophobicContact CD1-CG2 3.82Å; Y716-T775 HydrophobicContact CG-CG2 4.34Å; Y716-C776 CarbonylContact C-O 3.56Å; Y716-C776 WeakPolarHBondContact CA-O 3.46Å; Y716-K777 HydrophobicContact CD1-CB 4.06Å; Y716-K777 HydrophobicContact CD1-CG 4.41Å; Y716-K777 HydrophobicContact CE1-CB 3.83Å; Y716-K777 HydrophobicContact CE1-CD 4.05Å; Y716-K777 HydrophobicContact CE1-CG 4Å; Y716-K777 PolarHBondContact OH-NZ 2.86Å
717L88.8Confident86.3Confident2 Ų239 Ų391%0.0119%0.192CC..EExtended strand (participates in β ladder)trans-111.9137.7177-54.9-170000109.8L630 R666 L706 E714 F719 T775 C776L630-L717 HydrophobicContact CD1-CB 4.5Å; L630-L717 HydrophobicContact CD1-CD1 3.66Å; L630-L717 HydrophobicContact CD1-CG 4.22Å; R666-L717 VanDerWaalsContact NH2-CD2 3.31Å; L706-L717 HydrophobicContact CD2-CD1 3.67Å; E714-L717 HydrophobicContact CB-CD2 3.88Å; E714-L717 WeakPolarHBondContact OE2-CD2 3.36Å; L717-F719 HydrophobicContact CB-CE2 3.72Å; L717-F719 HydrophobicContact CB-CZ 4.24Å; L717-F719 HydrophobicContact CD1-CE2 4.45Å; L717-F719 HydrophobicContact CD1-CZ 4.31Å; L717-T775 WeakPolarHBondContact O-CA 3.38Å; L717-C776 PolarHBondContact N-O 2.87Å; L717-C776 PolarHBondContact O-N 3.03Å
718Y91.4Very high86.6Confident5 Ų538.4 Ų38.42%0.0219%0.191CC..EExtended strand (participates in β ladder)trans-115.8122.7-176.5-53.3-100.7000110E491 R666 I667 A669 Y716 T775E491-Y718 HydrophobicContact CG-CE1 4.14Å; E491-Y718 WeakPolarHBondContact CG-OH 3.29Å; E491-Y718 WeakPolarHBondContact OE1-CE1 3.3Å; E491-Y718 PolarHBondContact OE1-OH 3.13Å; R666-Y718 WeakPolarHBondContact CA-O 3.37Å; I667-Y718 PolarHBondContact N-O 2.84Å; I667-Y718 WeakPolarHBondContact O-CB 3.32Å; A669-Y718 HydrophobicContact CB-CD2 3.97Å; A669-Y718 HydrophobicContact CB-CE1 4.11Å; A669-Y718 HydrophobicContact CB-CE2 3.42Å; A669-Y718 VanDerWaalsContact CB-CE2 3.42Å; A669-Y718 VanDerWaalsContact CB-CZ 3.47Å; Y716-Y718 WeakPolarHBondContact O-CE2 3.46Å; Y718-T775 HydrophobicContact CD1-CG2 4.31Å; Y718-T775 HydrophobicContact CE1-CG2 4.02Å
719F94.4Very high86.8Confident0 Ų039.3 Ų39.30%020%0.2CC..EExtended strand (participates in β ladder)trans-115.9127177.4-61-91.3000109.5F615 L630 Q665 R666 I702 A705 L706 L717 I773 I774 C776F615-F719 AromaticContact CE1-CD2 3.77Å; F615-F719 HydrophobicContact CE1-CD2 3.77Å; F615-F719 HydrophobicContact CE1-CE2 4.12Å; F615-F719 HydrophobicContact CE1-CG 4.14Å; F615-F719 HydrophobicContact CZ-CB 4.1Å; F615-F719 HydrophobicContact CZ-CD2 4.15Å; F615-F719 HydrophobicContact CZ-CG 4.15Å; L630-F719 HydrophobicContact CD2-CE2 4.22Å; L630-F719 HydrophobicContact CD2-CZ 4.31Å; Q665-F719 CarbonylContact O-C 3.49Å; Q665-F719 WeakPolarHBondContact O-CA 3.46Å; R666-F719 HydrophobicContact CB-CD1 4.17Å; R666-F719 HydrophobicContact CB-CE1 4.13Å; R666-F719 HydrophobicContact CG-CE1 4.49Å; I702-F719 HydrophobicContact CD1-CD1 4.08Å; I702-F719 HydrophobicContact CD1-CG 4.38Å; I702-F719 HydrophobicContact CG2-CE1 3.97Å; I702-F719 HydrophobicContact CG2-CZ 4.01Å; A705-F719 HydrophobicContact CB-CD1 4.17Å; A705-F719 HydrophobicContact CB-CE1 3.93Å; L706-F719 HydrophobicContact CD2-CE1 4.49Å; L706-F719 HydrophobicContact CD2-CZ 3.93Å; L706-F719 HydrophobicContact CG-CZ 4.28Å; L717-F719 HydrophobicContact CB-CE2 3.72Å; L717-F719 HydrophobicContact CB-CZ 4.24Å; L717-F719 HydrophobicContact CD1-CE2 4.45Å; L717-F719 HydrophobicContact CD1-CZ 4.31Å; F719-I773 CarbonylContact O-C 3.54Å; F719-I773 WeakPolarHBondContact O-CA 3.24Å; F719-I774 HydrophobicContact CB-CB 4.41Å; F719-I774 PolarHBondContact N-O 2.99Å; F719-I774 PolarHBondContact O-N 2.99Å; F719-C776 HydrophobicContact CE2-CB 4.41Å
720V96.8Very high87.1Confident0 Ų039.3 Ų39.30%020%0.204CC..EExtended strand (participates in β ladder)trans-93.5115.7169.2-164.20000108.6F664 Q665 I667 I675 F680 P770 Y772 I773F664-V720 VanDerWaalsContact CA-O 3.31Å; F664-V720 WeakPolarHBondContact CA-O 3.46Å; Q665-V720 PolarHBondContact N-O 3.19Å; Q665-V720 PolarHBondContact O-N 2.71Å; I667-V720 HydrophobicContact CD1-CG2 3.57Å; I667-V720 HydrophobicContact CG1-CG2 3.78Å; I667-V720 HydrophobicContact CG2-CG2 3.99Å; I675-V720 HydrophobicContact CD1-CG2 4.19Å; I675-V720 HydrophobicContact CG2-CG1 4.14Å; I675-V720 HydrophobicContact CG2-CG2 4.47Å; F680-V720 HydrophobicContact CE1-CB 4.04Å; F680-V720 HydrophobicContact CE1-CG1 3.94Å; F680-V720 HydrophobicContact CZ-CB 4.06Å; F680-V720 HydrophobicContact CZ-CG1 3.52Å; V720-P770 HydrophobicContact CG1-CB 3.88Å; V720-Y772 CarbonylContact C-O 3.07Å; V720-Y772 VanDerWaalsContact CA-O 3.28Å; V720-Y772 WeakPolarHBondContact CA-O 3.32Å; V720-I773 HydrophobicContact CG1-CG1 4.45Å; V720-I773 HydrophobicContact CG2-CG1 4.36Å
721E97.1Very high88Confident27 Ų2741.2 Ų41.213%0.12622%0.216CC..EExtended strand (participates in β ladder)trans-83.3125.6167.9-174.5-175.4114.200108.5R611 T662 F664 K771 Y772 I774R611-E721 IonicContact NH1-OE1 2.73Å; T662-E721 HydrophobicContact CG2-CG 3.65Å; F664-E721 HydrophobicContact CD1-CB 4.09Å; F664-E721 HydrophobicContact CD1-CG 4.31Å; F664-E721 HydrophobicContact CE1-CB 3.88Å; F664-E721 HydrophobicContact CE1-CG 3.75Å; F664-E721 HydrophobicContact CZ-CG 4.29Å; E721-K771 PolarHBondContact O-N 3.43Å; E721-Y772 HydrophobicContact CB-CD2 4.45Å; E721-Y772 PolarHBondContact N-O 2.93Å; E721-Y772 PolarHBondContact O-N 3.43Å; E721-Y772 WeakPolarHBondContact OE1-CD2 3.3Å; E721-I774 HydrophobicContact CB-CD1 4.29Å
722A97.7Very high89.2Confident0 Ų037.8 Ų37.80%020%0.202CC..EExtended strand (participates in β ladder)trans-130.5149.9-175.400000112.1T662 M663 F680 F698 V724 L769T662-A722 CarbonylContact C-O 3.58Å; T662-A722 WeakPolarHBondContact CA-O 3.38Å; M663-A722 PolarHBondContact N-O 2.98Å; M663-A722 PolarHBondContact O-N 3.3Å; F680-A722 HydrophobicContact CE2-CB 3.65Å; F680-A722 HydrophobicContact CZ-CB 3.61Å; F698-A722 HydrophobicContact CD1-CB 4.36Å; F698-A722 HydrophobicContact CE1-CB 3.78Å; A722-V724 HydrophobicContact CB-CG2 4.11Å; A722-L769 VanDerWaalsContact CA-O 3.24Å; A722-L769 WeakPolarHBondContact CA-O 3.47Å
723E97.6Very high90.7Very high43 Ų4334.1 Ų34.120%0.20119%0.188CC..EExtended strand (participates in β ladder)trans-86.1126.2159.4-72.3-179.8-13800108.8F648 A768 L769 K771F648-E723 HydrophobicContact CE2-CB 4.47Å; F648-E723 VanDerWaalsContact CE2-O 3.3Å; F648-E723 WeakPolarHBondContact CE2-O 3.36Å; F648-E723 HydrophobicContact CZ-CB 3.94Å; E723-A768 CarbonylContact O-C 3.59Å; E723-A768 VanDerWaalsContact O-CA 3.29Å; E723-A768 WeakPolarHBondContact O-CA 3.39Å; E723-L769 HydrophobicContact CB-CB 4.49Å; E723-L769 PolarHBondContact N-O 3.43Å; E723-L769 PolarHBondContact O-N 2.96Å; E723-K771 HydrophobicContact CG-CD 4.14Å; E723-K771 HydrophobicContact CG-CG 4.07Å; E723-K771 WeakPolarHBondContact OE1-CE 3.49Å; E723-K771 IonicContact OE1-NZ 2.65Å; E723-K771 PolarHBondContact OE1-NZ 2.91Å
724V97.8Very high91.9Very high1 Ų138.9 Ų38.91%0.00619%0.194CC..EExtended strand (participates in β ladder)trans-122.1132.6-174.6-170.70000111.1K661 M663 F698 A722 L726 I762 Q767 A768K661-V724 PolarHBondContact N-O 3.28Å; K661-V724 PolarHBondContact O-N 2.83Å; M663-V724 HydrophobicContact CB-CG2 3.91Å; M663-V724 HydrophobicContact CG-CB 4.43Å; M663-V724 HydrophobicContact CG-CG2 4.16Å; M663-V724 HydrophobicContact SD-CB 4.28Å; M663-V724 HydrophobicContact SD-CG2 4.37Å; F698-V724 HydrophobicContact CB-CG2 4.49Å; F698-V724 HydrophobicContact CD1-CG2 3.64Å; F698-V724 HydrophobicContact CD2-CG1 4.34Å; F698-V724 HydrophobicContact CD2-CG2 4.31Å; F698-V724 HydrophobicContact CE1-CG2 3.88Å; F698-V724 HydrophobicContact CG-CG2 3.87Å; F698-V724 HydrophobicContact CZ-CG2 4.34Å; A722-V724 HydrophobicContact CB-CG2 4.11Å; V724-L726 HydrophobicContact CG1-CD2 3.77Å; V724-I762 HydrophobicContact CG1-CD1 4.37Å; V724-I762 HydrophobicContact CG1-CG2 3.82Å; V724-Q767 CarbonylContact C-O 3.57Å; V724-Q767 WeakPolarHBondContact CA-O 3.33Å; V724-A768 HydrophobicContact CG2-CB 4.21Å
725L97.1Very high92.3Very high0 Ų039.8 Ų39.80%021%0.211CC..  trans-94.7103.7174.6-64.8165.5000109.4F648 K651 K652 L655 C657 T660 Q767F648-L725 HydrophobicContact CD2-CD1 3.87Å; F648-L725 HydrophobicContact CD2-CG 4.36Å; F648-L725 HydrophobicContact CE1-CD1 4.3Å; F648-L725 HydrophobicContact CE1-CG 4.41Å; F648-L725 HydrophobicContact CE2-CD1 3.6Å; F648-L725 HydrophobicContact CE2-CG 3.59Å; F648-L725 HydrophobicContact CG-CD1 4.36Å; F648-L725 HydrophobicContact CZ-CD1 3.84Å; F648-L725 HydrophobicContact CZ-CD2 4.08Å; F648-L725 HydrophobicContact CZ-CG 3.63Å; K651-L725 HydrophobicContact CB-CD1 4.31Å; K652-L725 HydrophobicContact CB-CD1 3.81Å; K652-L725 HydrophobicContact CB-CD2 4Å; K652-L725 HydrophobicContact CD-CD2 4.16Å; K652-L725 HydrophobicContact CG-CD1 4.49Å; K652-L725 HydrophobicContact CG-CD2 3.76Å; L655-L725 HydrophobicContact CD1-CB 4.22Å; C657-L725 HydrophobicContact CB-CD2 4.15Å; T660-L725 HydrophobicContact CG2-CD2 3.62Å; T660-L725 HydrophobicContact CG2-CG 4.37Å; L725-Q767 HydrophobicContact CB-CB 4.29Å; L725-Q767 WeakPolarHBondContact CB-O 3.47Å; L725-Q767 PolarHBondContact N-O 3.4Å; L725-Q767 PolarHBondContact O-NE2 3.1Å; L725-Q767 VanDerWaalsContact O-NE2 3.07Å
726L93.4Very high92.5Very high15 Ų1540 Ų408%0.07921%0.211CC..  trans-87.2-26.2179.8-60-175.2000113.4K661 M663 V724 S752 S760 I762K661-L726 HydrophobicContact CD-CD1 3.61Å; K661-L726 HydrophobicContact CG-CD1 4.35Å; M663-L726 HydrophobicContact SD-CD2 4.41Å; V724-L726 HydrophobicContact CG1-CD2 3.77Å; L726-S752 VanDerWaalsContact O-CB 3.31Å; L726-S752 WeakPolarHBondContact O-CB 3.19Å; L726-S752 PolarHBondContact O-OG 2.7Å; L726-S760 WeakPolarHBondContact CD1-OG 3.35Å; L726-S760 VanDerWaalsContact CD2-CB 3.47Å; L726-I762 HydrophobicContact CD2-CG2 4.27Å
727G91.3Very high92.3Very high32 Ų3245.4 Ų45.433%0.3324%0.24SC..  trans51.3-143.9-17500000112.8S729 D751G727-S729 PolarHBondContact O-N 3.45Å; G727-D751 WeakPolarHBondContact CA-OD2 3.47Å
728N91.3Very high92.1Very high81 Ų8150.2 Ų50.243%0.43327%0.265SS..SBendtrans-76.8109.4171.5-176.815.9000110.7H750 D751N728-H750 WeakPolarHBondContact O-CB 3.24Å; N728-H750 PolarHBondContact O-ND1 3.11Å; N728-H750 PolarHBondContact OD1-ND1 3.47Å; N728-D751 PolarHBondContact N-OD2 2.66Å; N728-D751 PolarHBondContact O-N 3.13Å
729S92.5Very high92Very high45 Ų4550.6 Ų50.632%0.31527%0.268SS..EExtended strand (participates in β ladder)trans-101.4137.3-173.1-159.50000112.5G727 S752G727-S729 PolarHBondContact O-N 3.45Å; S729-S752 WeakPolarHBondContact CA-O 3.32Å; S729-S752 VanDerWaalsContact CB-OG 3.3Å; S729-S752 WeakPolarHBondContact CB-OG 2.93Å; S729-S752 PolarHBondContact OG-O 3.15Å; S729-S752 PolarHBondContact OG-OG 3.34Å
730A93.9Very high91.7Very high17 Ų1751.9 Ų51.914%0.1428%0.276CS..EExtended strand (participates in β ladder)trans-101.3171.8171.100000111.9P740 H750 S752 V753 S754A730-P740 HydrophobicContact CB-CG 3.43Å; A730-P740 VanDerWaalsContact CB-CG 3.43Å; A730-H750 HydrophobicContact CB-CB 4.07Å; A730-H750 PolarHBondContact N-ND1 3.25Å; A730-S752 PolarHBondContact N-O 3.05Å; A730-V753 HydrophobicContact CB-CG1 4.42Å; A730-V753 CarbonylContact O-C 3.56Å; A730-V753 VanDerWaalsContact O-CA 3.28Å; A730-V753 WeakPolarHBondContact O-CA 3.49Å; A730-S754 PolarHBondContact O-N 3.48Å
731K95.8Very high91.3Very high183 Ų18354.9 Ų54.980%0.79630%0.296SS*.EExtended strand (participates in β ladder)trans-71129.8168.8-173.6-179177.5-172.70109.4
732G93.5Very high90.9Very high9 Ų956 Ų569%0.09330%0.304CS..PPolyproline II helixtrans-77.6150.7177.700000113.3Y692 S754Y692-G732 WeakPolarHBondContact O-CA 3.34Å; G732-S754 PolarHBondContact N-O 2.97Å
733E89.4Confident90.2Very high125 Ų12559.2 Ų59.258%0.58434%0.338SS*.  trans-144.9152.7178.5-170.3169.6-172.200110.1K691 Y692 G693 F736K691-E733 CarbonylContact O-C 3.56Å; Y692-E733 CarbonylContact C-O 3.59Å; Y692-E733 PolarHBondContact O-N 3.21Å; G693-E733 WeakPolarHBondContact CA-O 3.45Å; G693-E733 PolarHBondContact N-O 2.92Å; G693-E733 VanDerWaalsContact N-O 3.16Å; E733-F736 HydrophobicContact CB-CD2 4.1Å; E733-F736 HydrophobicContact CB-CE1 4.19Å; E733-F736 HydrophobicContact CB-CE2 3.7Å; E733-F736 HydrophobicContact CB-CZ 3.74Å
734R89.6Confident89.5Confident138 Ų13867.4 Ų67.452%0.52137%0.373SS..THydrogen-bonded Turntrans-62.4138.6-180-172-175.2-67.7-83.23.5110.4D689 K691 F736D689-R734 IonicContact OD1-CZ 3.55Å; D689-R734 VanDerWaalsContact OD1-CZ 3.22Å; D689-R734 IonicContact OD1-NH1 3.17Å; D689-R734 PolarHBondContact OD1-NH1 3.4Å; D689-R734 IonicContact OD1-NH2 3.27Å; D689-R734 PolarHBondContact OD1-NH2 3.01Å; D689-R734 IonicContact OD2-NH2 3.52Å; D689-R734 PolarHBondContact OD2-NH2 3.22Å; K691-R734 PolarHBondContact O-N 3.29Å; R734-F736 VanDerWaalsContact C-N 3.34Å
735G81.5Confident88.6Confident46 Ų4670.8 Ų70.847%0.47439%0.391SS..THydrogen-bonded Turntrans86-1.7175.800000115I737G735-I737 PolarHBondContact O-N 3.33Å; G735-I737 VanDerWaalsContact O-N 3.1Å
736F85.1Confident87.8Confident54 Ų5475.1 Ų75.124%0.23742%0.419CS..  trans-65.9109.6168.4-74.7-7.7000110.3G693 E694 E733 R734 P740 V753 F763G693-F736 CarbonylContact C-O 3.58Å; G693-F736 VanDerWaalsContact CA-O 3.3Å; G693-F736 WeakPolarHBondContact CA-O 3.27Å; E694-F736 PolarHBondContact N-O 3.25Å; E733-F736 HydrophobicContact CB-CD2 4.1Å; E733-F736 HydrophobicContact CB-CE1 4.19Å; E733-F736 HydrophobicContact CB-CE2 3.7Å; E733-F736 HydrophobicContact CB-CZ 3.74Å; R734-F736 VanDerWaalsContact C-N 3.34Å; F736-P740 HydrophobicContact CE2-CB 4.26Å; F736-P740 HydrophobicContact CE2-CG 4.06Å; F736-P740 HydrophobicContact CZ-CB 4.33Å; F736-V753 HydrophobicContact CD2-CG1 4.35Å; F736-F763 HydrophobicContact CB-CZ 4.44Å; F736-F763 WeakPolarHBondContact O-CE1 3.12Å
737I83.5Confident87.1Confident131 Ų13181 Ų8167%0.67245%0.45SS*.SBendtrans-88.3-17.2171.261.3172.2000112.4E694 G735 F763E694-I737 HydrophobicContact CB-CG2 4.36Å; E694-I737 HydrophobicContact CG-CG2 4.21Å; G735-I737 PolarHBondContact O-N 3.33Å; G735-I737 VanDerWaalsContact O-N 3.1Å; I737-F763 VanDerWaalsContact O-CD1 3.28Å; I737-F763 WeakPolarHBondContact O-CD1 3.37Å
738L84.6Confident86.8Confident103 Ų10384 Ų8454%0.53946%0.458SS..SBendtrans-137.7157.7172.4-68.9172.7000108.2L749L738-L749 HydrophobicContact CB-CD1 4.13Å; L738-L749 HydrophobicContact CD1-CD1 4.36Å
739P87.6Confident86.6Confident13 Ų1383 Ų838%0.08445%0.452CS..PPolyproline II helixtrans-58.8150.6172.3-18.529.5000111.6L749 H750 F763P739-L749 HydrophobicContact CB-CB 4.33Å; P739-L749 WeakPolarHBondContact O-CD2 3.33Å; P739-H750 HydrophobicContact CB-CB 3.97Å; P739-H750 WeakPolarHBondContact CB-O 3.29Å; P739-H750 WeakPolarHBondContact CG-O 3.33Å; P739-F763 HydrophobicContact CB-CD2 4.44Å; P739-F763 HydrophobicContact CB-CE2 4.39Å; P739-F763 HydrophobicContact CG-CB 4.37Å; P739-F763 HydrophobicContact CG-CD2 3.43Å; P739-F763 VanDerWaalsContact CG-CD2 3.43Å; P739-F763 HydrophobicContact CG-CE2 3.83Å; P739-F763 HydrophobicContact CG-CG 4.01Å
740P89.4Confident86.6Confident27 Ų2782.6 Ų82.618%0.17545%0.445CS..PPolyproline II helixtrans-68.2158.3176.429.7-35.5000111.7A730 F736 H750 V753A730-P740 HydrophobicContact CB-CG 3.43Å; A730-P740 VanDerWaalsContact CB-CG 3.43Å; F736-P740 HydrophobicContact CE2-CB 4.26Å; F736-P740 HydrophobicContact CE2-CG 4.06Å; F736-P740 HydrophobicContact CZ-CB 4.33Å; P740-H750 PolarHBondContact O-CD2 3.15Å; P740-H750 VanDerWaalsContact O-CD2 3.3Å; P740-H750 PolarHBondContact O-N 2.82Å; P740-V753 HydrophobicContact CG-CG1 4.48Å
741P88.4Confident86.5Confident62 Ų6283.5 Ų83.540%0.40345%0.448SS..BIsolated β-bridgetrans-68.7146.8178.827-33.7000113.4G743 I748 L749P741-G743 PolarHBondContact O-N 3.1Å; P741-I748 CarbonylContact C-O 3.52Å; P741-I748 VanDerWaalsContact CA-O 3.24Å; P741-I748 WeakPolarHBondContact CA-O 3.35Å; P741-L749 HydrophobicContact CB-CD2 4.12Å
742V88Confident86.5Confident50 Ų5074.8 Ų74.830%0.30341%0.41SS..SBendtrans-82.9104171.8-175.20000108.2I748V742-I748 HydrophobicContact CB-CG2 3.98Å; V742-I748 HydrophobicContact CG2-CG2 4.16Å; V742-I748 PolarHBondContact N-O 2.61Å
743G83.8Confident86.6Confident69 Ų6974.4 Ų74.471%0.71141%0.406SS*.THydrogen-bonded Turntrans76.4-130.1177.600000112.9P741P741-G743 PolarHBondContact O-N 3.1Å
744K81.5Confident86.7Confident215 Ų21570.2 Ų70.294%0.93539%0.39SS*.THydrogen-bonded Turntrans-101.5-16.7-171.7-66.7-173.7-179.8-178.60114.6P746K744-P746 WeakPolarHBondContact O-CD 3.35Å
745D80.3Confident86.8Confident71 Ų7164.3 Ų64.338%0.3837%0.372SS..  trans-85.2116179.3-171.3-21.3000109.3N747 I748D745-N747 PolarHBondContact O-N 2.99Å; D745-N747 WeakPolarHBondContact OD1-CB 3.49Å; D745-N747 PolarHBondContact OD1-N 2.91Å; D745-N747 PolarHBondContact OD1-ND2 3.46Å; D745-I748 HydrophobicContact CB-CD1 4.13Å; D745-I748 HydrophobicContact CB-CG1 4.19Å; D745-I748 PolarHBondContact O-N 3.19Å
746P79.4Confident87.1Confident91 Ų9164.3 Ų64.359%0.59137%0.372SS*.THydrogen-bonded Turntrans-68.8-13.8-17829.5-36000113.8K744 L749K744-P746 WeakPolarHBondContact O-CD 3.35Å; P746-L749 WeakPolarHBondContact O-CD2 3.36Å
747N78.6Confident87.2Confident138 Ų13867 Ų6774%0.73839%0.393SS*.THydrogen-bonded Turntrans-90.4-13.8-178.2-59.5-55.8000113.5D745D745-N747 PolarHBondContact O-N 2.99Å; D745-N747 WeakPolarHBondContact OD1-CB 3.49Å; D745-N747 PolarHBondContact OD1-N 2.91Å; D745-N747 PolarHBondContact OD1-ND2 3.46Å
748I84.2Confident87.6Confident95 Ų9563 Ų6349%0.48737%0.373SS..SBendtrans-97.9102.5176.7-55.6178.4000106.5P741 V742 D745P741-I748 CarbonylContact C-O 3.52Å; P741-I748 VanDerWaalsContact CA-O 3.24Å; P741-I748 WeakPolarHBondContact CA-O 3.35Å; V742-I748 HydrophobicContact CB-CG2 3.98Å; V742-I748 HydrophobicContact CG2-CG2 4.16Å; V742-I748 PolarHBondContact N-O 2.61Å; D745-I748 HydrophobicContact CB-CD1 4.13Å; D745-I748 HydrophobicContact CB-CG1 4.19Å; D745-I748 PolarHBondContact O-N 3.19Å
749L88.2Confident88.1Confident62 Ų6258.6 Ų58.633%0.32535%0.351SS..BIsolated β-bridgetrans-95.5154.9-179.1-54.9-176.8000111.1L738 P739 P741 P746L738-L749 HydrophobicContact CB-CD1 4.13Å; L738-L749 HydrophobicContact CD1-CD1 4.36Å; P739-L749 HydrophobicContact CB-CB 4.33Å; P739-L749 WeakPolarHBondContact O-CD2 3.33Å; P741-L749 HydrophobicContact CB-CD2 4.12Å; P746-L749 WeakPolarHBondContact O-CD2 3.36Å
750H92.3Very high88.6Confident35 Ų3558.5 Ų58.516%0.16235%0.35CS..  trans-60161.6162.3-81.6-99.2000110N728 A730 P739 P740N728-H750 WeakPolarHBondContact O-CB 3.24Å; N728-H750 PolarHBondContact O-ND1 3.11Å; N728-H750 PolarHBondContact OD1-ND1 3.47Å; A730-H750 HydrophobicContact CB-CB 4.07Å; A730-H750 PolarHBondContact N-ND1 3.25Å; P739-H750 HydrophobicContact CB-CB 3.97Å; P739-H750 WeakPolarHBondContact CB-O 3.29Å; P739-H750 WeakPolarHBondContact CG-O 3.33Å; P740-H750 PolarHBondContact O-CD2 3.15Å; P740-H750 VanDerWaalsContact O-CD2 3.3Å; P740-H750 PolarHBondContact O-N 2.82Å
751D92.8Very high88.9Confident37 Ų3757.2 Ų57.220%0.19834%0.342CS..SBendtrans-90.2-23.7-176.1-56.1-43.9000112.3L655 G727 N728 Q767L655-D751 HydrophobicContact CD1-CB 4.39Å; L655-D751 HydrophobicContact CD2-CB 4.26Å; L655-D751 WeakPolarHBondContact CD2-OD1 3.29Å; G727-D751 WeakPolarHBondContact CA-OD2 3.47Å; N728-D751 PolarHBondContact N-OD2 2.66Å; N728-D751 PolarHBondContact O-N 3.13Å; D751-Q767 PolarHBondContact O-NE2 3.34Å
752S94.3Very high89.2Confident0 Ų054.2 Ų54.20%032%0.323CS..EExtended strand (participates in β ladder)trans-157.2173.2-179.567.70000110.7L726 S729 A730 V761L726-S752 VanDerWaalsContact O-CB 3.31Å; L726-S752 WeakPolarHBondContact O-CB 3.19Å; L726-S752 PolarHBondContact O-OG 2.7Å; S729-S752 WeakPolarHBondContact CA-O 3.32Å; S729-S752 VanDerWaalsContact CB-OG 3.3Å; S729-S752 WeakPolarHBondContact CB-OG 2.93Å; S729-S752 PolarHBondContact OG-O 3.15Å; S729-S752 PolarHBondContact OG-OG 3.34Å; A730-S752 PolarHBondContact N-O 3.05Å; S752-V761 WeakPolarHBondContact CA-O 3.42Å; S752-V761 WeakPolarHBondContact CB-O 3.37Å
753V95.4Very high89.3Confident0 Ų054 Ų540%032%0.318CS..EExtended strand (participates in β ladder)trans-126.2146.5169.5-59.80000111.8Y692 A730 F736 P740 V761 F763Y692-V753 WeakPolarHBondContact O-CG2 3.41Å; A730-V753 HydrophobicContact CB-CG1 4.42Å; A730-V753 CarbonylContact O-C 3.56Å; A730-V753 VanDerWaalsContact O-CA 3.28Å; A730-V753 WeakPolarHBondContact O-CA 3.49Å; F736-V753 HydrophobicContact CD2-CG1 4.35Å; P740-V753 HydrophobicContact CG-CG1 4.48Å; V753-V761 HydrophobicContact CG2-CB 3.67Å; V753-V761 HydrophobicContact CG2-CG1 4.34Å; V753-V761 HydrophobicContact CG2-CG2 4.27Å; V753-V761 PolarHBondContact N-O 2.73Å; V753-V761 PolarHBondContact O-N 3.17Å; V753-F763 HydrophobicContact CB-CE2 4.5Å; V753-F763 HydrophobicContact CG1-CE2 4.11Å; V753-F763 HydrophobicContact CG2-CE2 3.78Å; V753-F763 HydrophobicContact CG2-CZ 3.98Å
754S93.2Very high89.7Confident37 Ų3752.1 Ų52.126%0.25929%0.294SS..EExtended strand (participates in β ladder)trans-103.6132.6-178.1168.80000110.7A730 G732 G756A730-S754 PolarHBondContact O-N 3.48Å; G732-S754 PolarHBondContact N-O 2.97Å; S754-G756 VanDerWaalsContact C-N 3.32Å; S754-G756 PolarHBondContact OG-N 2.6Å; S754-G756 VanDerWaalsContact OG-N 3.1Å; S754-G756 PolarHBondContact OG-O 3.42Å
755G90.3Very high90.1Very high14 Ų1442.9 Ų42.914%0.14426%0.259CS..SBendtrans-95.126.2168.800000113.3Y692 V759Y692-G755 VanDerWaalsContact CD2-CA 3.48Å; Y692-G755 VanDerWaalsContact CE2-CA 3.49Å; Y692-G755 PolarHBondContact OH-O 3.35Å; G755-V759 PolarHBondContact N-O 2.88Å
756G88.9Confident90.8Very high46 Ų4641.5 Ų41.547%0.47425%0.249SC..SBendtrans109-152-172.700000112.9S754 D758S754-G756 VanDerWaalsContact C-N 3.32Å; S754-G756 PolarHBondContact OG-N 2.6Å; S754-G756 VanDerWaalsContact OG-N 3.1Å; S754-G756 PolarHBondContact OG-O 3.42Å; G756-D758 VanDerWaalsContact C-N 3.34Å; G756-D758 PolarHBondContact O-N 3.12Å
757T86.5Confident91.6Very high110 Ų11037.6 Ų37.668%0.67522%0.223SC*.SBendtrans-75.1-22.4-174.3460000114.6R700R700-T757 WeakPolarHBondContact CD-O 3.37Å
758D92.2Very high92.5Very high48 Ų4831.2 Ų31.226%0.25719%0.189SC..SBendtrans-123.8-4.3-165.9-62.7-64.8000114.3A699 R700 N701 T704 G756A699-D758 CarbonylContact C-O 3.11Å; A699-D758 WeakPolarHBondContact CA-O 3.28Å; R700-D758 HydrophobicContact CB-CB 4.18Å; R700-D758 WeakPolarHBondContact CD-OD1 3.42Å; R700-D758 PolarHBondContact N-O 3.11Å; N701-D758 PolarHBondContact ND2-OD1 3.4Å; T704-D758 HydrophobicContact CG2-CB 3.95Å; T704-D758 WeakPolarHBondContact OG1-CB 3.49Å; G756-D758 VanDerWaalsContact C-N 3.34Å; G756-D758 PolarHBondContact O-N 3.12Å
759V95.9Very high93.1Very high11 Ų1127.2 Ų27.27%0.06717%0.169CC..EExtended strand (participates in β ladder)trans-126.6131.7-179.6-175.90000110Y692 Y697 F698 T704 L708 G755Y692-V759 HydrophobicContact CD2-CG1 4.01Å; Y692-V759 HydrophobicContact CE2-CB 4.39Å; Y692-V759 HydrophobicContact CE2-CG1 4.19Å; Y697-V759 HydrophobicContact CD1-CG1 3.92Å; Y697-V759 HydrophobicContact CE1-CG1 4.29Å; F698-V759 WeakPolarHBondContact O-CA 3.48Å; T704-V759 HydrophobicContact CG2-CG2 3.62Å; L708-V759 HydrophobicContact CD1-CG1 4.19Å; L708-V759 HydrophobicContact CD1-CG2 4.02Å; L708-V759 HydrophobicContact CD2-CG2 4.33Å; L708-V759 HydrophobicContact CG-CG2 4.5Å; G755-V759 PolarHBondContact N-O 2.88Å
760S96.3Very high93.5Very high10 Ų1024.3 Ų24.37%0.0715%0.154CC..EExtended strand (participates in β ladder)trans-129.6147.3172.7-61.60000110.3F698 L726F698-S760 PolarHBondContact N-O 3Å; F698-S760 PolarHBondContact O-N 3.38Å; L726-S760 WeakPolarHBondContact CD1-OG 3.35Å; L726-S760 VanDerWaalsContact CD2-CB 3.47Å
761V95.8Very high93.7Very high0 Ų025.4 Ų25.40%016%0.158CC..EExtended strand (participates in β ladder)trans-127.6125.7177.4-172.50000109I696 Y697 S752 V753 F763I696-V761 WeakPolarHBondContact O-CA 3.28Å; Y697-V761 HydrophobicContact CD1-CG2 3.71Å; Y697-V761 HydrophobicContact CD2-CG1 4.09Å; Y697-V761 HydrophobicContact CD2-CG2 4.04Å; Y697-V761 HydrophobicContact CE1-CG2 3.52Å; Y697-V761 HydrophobicContact CE2-CG1 3.94Å; Y697-V761 HydrophobicContact CE2-CG2 3.85Å; Y697-V761 HydrophobicContact CG-CG2 3.96Å; S752-V761 WeakPolarHBondContact CA-O 3.42Å; S752-V761 WeakPolarHBondContact CB-O 3.37Å; V753-V761 HydrophobicContact CG2-CB 3.67Å; V753-V761 HydrophobicContact CG2-CG1 4.34Å; V753-V761 HydrophobicContact CG2-CG2 4.27Å; V753-V761 PolarHBondContact N-O 2.73Å; V753-V761 PolarHBondContact O-N 3.17Å; V761-F763 HydrophobicContact CG1-CE2 4.43Å; V761-F763 HydrophobicContact CG1-CZ 4.36Å
762I95.1Very high93.8Very high0 Ų025.1 Ų25.10%016%0.155CC..EExtended strand (participates in β ladder)trans-110157.3176.364177.4000109.8G695 I696 F698 V724 L726 Q767 A768G695-I762 CarbonylContact C-O 3.55Å; G695-I762 WeakPolarHBondContact CA-O 3.4Å; I696-I762 HydrophobicContact CB-CD1 4.44Å; I696-I762 HydrophobicContact CB-CG1 3.82Å; I696-I762 HydrophobicContact CD1-CG1 4.41Å; I696-I762 PolarHBondContact N-O 3.03Å; I696-I762 PolarHBondContact O-N 3.24Å; F698-I762 HydrophobicContact CD2-CD1 4.15Å; F698-I762 HydrophobicContact CD2-CG1 4.22Å; F698-I762 HydrophobicContact CE2-CD1 3.37Å; F698-I762 HydrophobicContact CE2-CG1 3.75Å; F698-I762 HydrophobicContact CZ-CD1 4.08Å; V724-I762 HydrophobicContact CG1-CD1 4.37Å; V724-I762 HydrophobicContact CG1-CG2 3.82Å; L726-I762 HydrophobicContact CD2-CG2 4.27Å; I762-Q767 HydrophobicContact CB-CB 4.17Å; I762-Q767 HydrophobicContact CD1-CB 3.81Å; I762-Q767 HydrophobicContact CG2-CB 4.25Å; I762-A768 HydrophobicContact CD1-CB 3.61Å
763F90.6Very high93.8Very high45 Ų4525.2 Ų25.220%0.19716%0.155CC..SBendtrans-117.310.9-175.1-65-95.5000113.2F736 I737 P739 V753 V761F736-F763 HydrophobicContact CB-CZ 4.44Å; F736-F763 WeakPolarHBondContact O-CE1 3.12Å; I737-F763 VanDerWaalsContact O-CD1 3.28Å; I737-F763 WeakPolarHBondContact O-CD1 3.37Å; P739-F763 HydrophobicContact CB-CD2 4.44Å; P739-F763 HydrophobicContact CB-CE2 4.39Å; P739-F763 HydrophobicContact CG-CB 4.37Å; P739-F763 HydrophobicContact CG-CD2 3.43Å; P739-F763 VanDerWaalsContact CG-CD2 3.43Å; P739-F763 HydrophobicContact CG-CE2 3.83Å; P739-F763 HydrophobicContact CG-CG 4.01Å; V753-F763 HydrophobicContact CB-CE2 4.5Å; V753-F763 HydrophobicContact CG1-CE2 4.11Å; V753-F763 HydrophobicContact CG2-CE2 3.78Å; V753-F763 HydrophobicContact CG2-CZ 3.98Å; V761-F763 HydrophobicContact CG1-CE2 4.43Å; V761-F763 HydrophobicContact CG1-CZ 4.36Å
764S91.1Very high93.8Very high30 Ų3025.2 Ų25.221%0.2116%0.155CC..  trans-141129173.61770000109Y766 Q767S764-Y766 PolarHBondContact O-N 3.42Å; S764-Q767 WeakPolarHBondContact O-CB 3.09Å; S764-Q767 PolarHBondContact O-N 2.71Å
765G91.6Very high93.7Very high20 Ų2023.5 Ų23.521%0.20614%0.143CC..G310 helixtrans-56.2-34.417800000113F680 Q767 A768F680-G765 WeakPolarHBondContact O-CA 3.21Å; G765-Q767 PolarHBondContact O-N 3.34Å; G765-A768 PolarHBondContact O-N 3.3Å; G765-A768 VanDerWaalsContact O-O 3.04Å
766Y93.9Very high93.6Very high43 Ų4322.9 Ų22.917%0.16914%0.136CC..G310 helixtrans-71.9-6.1179.3-51.9-42.6000114.4L586 L589 M647 F648 S764L586-Y766 HydrophobicContact CD1-CE1 4.09Å; L589-Y766 HydrophobicContact CD1-CE2 4.46Å; M647-Y766 HydrophobicContact CB-CD1 3.73Å; M647-Y766 HydrophobicContact CB-CD2 4.46Å; M647-Y766 HydrophobicContact CB-CE1 4.2Å; M647-Y766 HydrophobicContact CB-CG 3.9Å; M647-Y766 HydrophobicContact CE-CD2 3.73Å; M647-Y766 HydrophobicContact CE-CE2 3.59Å; M647-Y766 HydrophobicContact CE-CG 4.31Å; M647-Y766 HydrophobicContact CG-CD1 4.28Å; M647-Y766 HydrophobicContact CG-CE1 4.24Å; F648-Y766 WeakPolarHBondContact CA-O 3.26Å; F648-Y766 WeakPolarHBondContact CD2-O 3.24Å; S764-Y766 PolarHBondContact O-N 3.42Å
767Q95.9Very high93.5Very high8 Ų823.2 Ų23.24%0.03713%0.125CC..G310 helixtrans-76.8-8.3167.8-73.1174-102.100112.5F648 K651 L655 V724 L725 D751 I762 S764 G765F648-Q767 WeakPolarHBondContact CE2-O 3Å; K651-Q767 HydrophobicContact CD-CG 4.45Å; K651-Q767 HydrophobicContact CG-CG 3.8Å; L655-Q767 HydrophobicContact CD1-CG 3.99Å; V724-Q767 CarbonylContact C-O 3.57Å; V724-Q767 WeakPolarHBondContact CA-O 3.33Å; L725-Q767 HydrophobicContact CB-CB 4.29Å; L725-Q767 WeakPolarHBondContact CB-O 3.47Å; L725-Q767 PolarHBondContact N-O 3.4Å; L725-Q767 PolarHBondContact O-NE2 3.1Å; L725-Q767 VanDerWaalsContact O-NE2 3.07Å; D751-Q767 PolarHBondContact O-NE2 3.34Å; I762-Q767 HydrophobicContact CB-CB 4.17Å; I762-Q767 HydrophobicContact CD1-CB 3.81Å; I762-Q767 HydrophobicContact CG2-CB 4.25Å; S764-Q767 WeakPolarHBondContact O-CB 3.09Å; S764-Q767 PolarHBondContact O-N 2.71Å; G765-Q767 PolarHBondContact O-N 3.34Å
768A97.5Very high93.1Very high5 Ų520.2 Ų20.24%0.04110%0.102CC..EExtended strand (participates in β ladder)trans-127.4135.4176.900000111.6F680 F698 E723 V724 I762 G765F680-A768 HydrophobicContact CD2-CB 3.46Å; F680-A768 VanDerWaalsContact CD2-CB 3.46Å; F680-A768 HydrophobicContact CE2-CB 3.81Å; F680-A768 HydrophobicContact CG-CB 4.27Å; F698-A768 HydrophobicContact CE1-CB 4.05Å; F698-A768 HydrophobicContact CE2-CB 4Å; F698-A768 HydrophobicContact CZ-CB 3.41Å; F698-A768 VanDerWaalsContact CZ-CB 3.41Å; E723-A768 CarbonylContact O-C 3.59Å; E723-A768 VanDerWaalsContact O-CA 3.29Å; E723-A768 WeakPolarHBondContact O-CA 3.39Å; V724-A768 HydrophobicContact CG2-CB 4.21Å; I762-A768 HydrophobicContact CD1-CB 3.61Å; G765-A768 PolarHBondContact O-N 3.3Å; G765-A768 VanDerWaalsContact O-O 3.04Å
769L96.8Very high92.1Very high10 Ų1019.7 Ų19.75%0.05210%0.099CC..EExtended strand (participates in β ladder)trans-112.9114.9175.4178.668.7000109.2L644 K645 F648 A722 E723 K771L644-L769 HydrophobicContact CB-CD1 4Å; K645-L769 HydrophobicContact CB-CD1 4.34Å; K645-L769 HydrophobicContact CD-CD2 3.53Å; F648-L769 HydrophobicContact CB-CB 4.24Å; F648-L769 HydrophobicContact CD1-CB 4.28Å; F648-L769 HydrophobicContact CD1-CD2 4.36Å; F648-L769 HydrophobicContact CD2-CB 3.64Å; F648-L769 HydrophobicContact CE2-CB 3.93Å; F648-L769 HydrophobicContact CG-CB 3.8Å; F648-L769 HydrophobicContact CZ-CB 4.36Å; A722-L769 VanDerWaalsContact CA-O 3.24Å; A722-L769 WeakPolarHBondContact CA-O 3.47Å; E723-L769 HydrophobicContact CB-CB 4.49Å; E723-L769 PolarHBondContact N-O 3.43Å; E723-L769 PolarHBondContact O-N 2.96Å; L769-K771 HydrophobicContact CD2-CD 3.9Å; L769-K771 HydrophobicContact CG-CD 4.09Å; L769-K771 PolarHBondContact O-N 3.04Å
770P97.1Very high90.2Very high2 Ų224.1 Ų24.11%0.01313%0.131CC..EExtended strand (participates in β ladder)trans-66.3129.8174.327-33.6000109.6V639 L644 I675 F680 V720V639-P770 HydrophobicContact CB-CB 4.49Å; V639-P770 HydrophobicContact CG1-CB 4.21Å; V639-P770 HydrophobicContact CG1-CG 4.08Å; L644-P770 HydrophobicContact CD1-CG 4.16Å; I675-P770 HydrophobicContact CG2-CB 3.86Å; I675-P770 HydrophobicContact CG2-CG 4.13Å; F680-P770 HydrophobicContact CE2-CB 3.84Å; F680-P770 HydrophobicContact CE2-CG 4.22Å; F680-P770 HydrophobicContact CZ-CB 4.03Å; V720-P770 HydrophobicContact CG1-CB 3.88Å
771K95.9Very high87.9Confident57 Ų5731.7 Ų31.725%0.24817%0.165CC..EExtended strand (participates in β ladder)trans-108.8-41.3179.2-56.4-65-69.9-1490110.8V639 E721 E723 L769V639-K771 PolarHBondContact N-O 3.16Å; E721-K771 PolarHBondContact O-N 3.43Å; E723-K771 HydrophobicContact CG-CD 4.14Å; E723-K771 HydrophobicContact CG-CG 4.07Å; E723-K771 WeakPolarHBondContact OE1-CE 3.49Å; E723-K771 IonicContact OE1-NZ 2.65Å; E723-K771 PolarHBondContact OE1-NZ 2.91Å; L769-K771 HydrophobicContact CD2-CD 3.9Å; L769-K771 HydrophobicContact CG-CD 4.09Å; L769-K771 PolarHBondContact O-N 3.04Å
772Y96.1Very high85.3Confident32 Ų3233.1 Ų33.113%0.12518%0.175CC..EExtended strand (participates in β ladder)trans-147.7145.5-174.8-56.8-81.7000112.6E607 R611 V636 D637 K638 V720 E721E607-Y772 WeakPolarHBondContact OE1-CE1 3.49Å; E607-Y772 PolarHBondContact OE1-OH 2.91Å; R611-Y772 VanDerWaalsContact CZ-CD1 3.42Å; R611-Y772 VanDerWaalsContact CZ-CE1 3.46Å; V636-Y772 HydrophobicContact CG1-CD1 4.23Å; D637-Y772 CarbonylContact O-C 3.6Å; D637-Y772 VanDerWaalsContact O-CA 3.24Å; D637-Y772 WeakPolarHBondContact O-CA 3.42Å; K638-Y772 HydrophobicContact CB-CD1 3.88Å; K638-Y772 HydrophobicContact CB-CE1 3.67Å; K638-Y772 HydrophobicContact CD-CE1 3.99Å; K638-Y772 HydrophobicContact CG-CD1 4.01Å; K638-Y772 HydrophobicContact CG-CE1 3.46Å; K638-Y772 VanDerWaalsContact CG-CE1 3.46Å; V720-Y772 CarbonylContact C-O 3.07Å; V720-Y772 VanDerWaalsContact CA-O 3.28Å; V720-Y772 WeakPolarHBondContact CA-O 3.32Å; E721-Y772 HydrophobicContact CB-CD2 4.45Å; E721-Y772 PolarHBondContact N-O 2.93Å; E721-Y772 PolarHBondContact O-N 3.43Å; E721-Y772 WeakPolarHBondContact OE1-CD2 3.3Å
773I94.8Very high82.2Confident1 Ų142 Ų421%0.00524%0.237CC..EExtended strand (participates in β ladder)trans-109.7121.3166.5-62.1173.5000107.2V636 D637 V639 C672 S676 F719 V720V636-I773 WeakPolarHBondContact CA-O 3.06Å; D637-I773 HydrophobicContact CB-CB 4.43Å; D637-I773 PolarHBondContact N-O 2.96Å; D637-I773 PolarHBondContact O-N 2.65Å; V639-I773 HydrophobicContact CG2-CD1 4.02Å; V639-I773 HydrophobicContact CG2-CG1 3.86Å; C672-I773 HydrophobicContact CB-CD1 3.97Å; C672-I773 HydrophobicContact CB-CG2 4.48Å; C672-I773 VanDerWaalsContact O-CD1 3.27Å; C672-I773 WeakPolarHBondContact O-CD1 3.4Å; S676-I773 WeakPolarHBondContact OG-CD1 3.31Å; F719-I773 CarbonylContact O-C 3.54Å; F719-I773 WeakPolarHBondContact O-CA 3.24Å; V720-I773 HydrophobicContact CG1-CG1 4.45Å; V720-I773 HydrophobicContact CG2-CG1 4.36Å
774I93.9Very high81.8Confident0 Ų041.8 Ų41.80%024%0.238CC..EExtended strand (participates in β ladder)trans-115.6115.1-172.9-57.5171.3000107.9R611 F615 P633 V636 F719 E721R611-I774 HydrophobicContact CB-CD1 4.41Å; R611-I774 HydrophobicContact CG-CD1 4.11Å; F615-I774 HydrophobicContact CE1-CG2 4.05Å; F615-I774 HydrophobicContact CE2-CB 4.49Å; F615-I774 HydrophobicContact CE2-CD1 3.5Å; F615-I774 VanDerWaalsContact CE2-CD1 3.5Å; F615-I774 HydrophobicContact CE2-CG2 3.97Å; F615-I774 HydrophobicContact CZ-CB 4.04Å; F615-I774 HydrophobicContact CZ-CD1 3.8Å; F615-I774 HydrophobicContact CZ-CG2 3.59Å; P633-I774 HydrophobicContact CB-CG2 3.82Å; P633-I774 HydrophobicContact CG-CG2 3.82Å; V636-I774 HydrophobicContact CG1-CG1 4.14Å; V636-I774 HydrophobicContact CG2-CG1 4.36Å; V636-I774 HydrophobicContact CG2-CG2 4.25Å; F719-I774 HydrophobicContact CB-CB 4.41Å; F719-I774 PolarHBondContact N-O 2.99Å; F719-I774 PolarHBondContact O-N 2.99Å; E721-I774 HydrophobicContact CB-CD1 4.29Å
775T91.9Very high81.3Confident2 Ų242.4 Ų42.41%0.01224%0.24CC..EExtended strand (participates in β ladder)trans-93.6127.4175.5-47.80000109.5E491 P633 V634 K635 Y716 L717 Y718E491-T775 HydrophobicContact CG-CG2 3.78Å; E491-T775 WeakPolarHBondContact OE2-CB 3.47Å; E491-T775 WeakPolarHBondContact OE2-CG2 3.19Å; E491-T775 PolarHBondContact OE2-OG1 3.17Å; P633-T775 CarbonylContact C-O 3.55Å; P633-T775 WeakPolarHBondContact CA-O 3.46Å; V634-T775 HydrophobicContact CG2-CG2 3.93Å; V634-T775 VanDerWaalsContact CG2-O 3.31Å; V634-T775 WeakPolarHBondContact CG2-O 3.23Å; V634-T775 PolarHBondContact N-O 3.47Å; K635-T775 PolarHBondContact N-O 2.98Å; K635-T775 PolarHBondContact O-N 3.12Å; Y716-T775 HydrophobicContact CD1-CG2 3.82Å; Y716-T775 HydrophobicContact CG-CG2 4.34Å; L717-T775 WeakPolarHBondContact O-CA 3.38Å; Y718-T775 HydrophobicContact CD1-CG2 4.31Å; Y718-T775 HydrophobicContact CE1-CG2 4.02Å
776C88.9Confident80.7Confident0 Ų043.7 Ų43.70%024%0.242CC..EExtended strand (participates in β ladder)trans-119.5143.1172.3-66.70000110.5F615 L630 Y716 L717 F719F615-C776 VanDerWaalsContact CE1-SG 3.53Å; L630-C776 HydrophobicContact CD1-CB 3.55Å; L630-C776 HydrophobicContact CD2-CB 4.28Å; L630-C776 HydrophobicContact CG-CB 4Å; Y716-C776 CarbonylContact C-O 3.56Å; Y716-C776 WeakPolarHBondContact CA-O 3.46Å; L717-C776 PolarHBondContact N-O 2.87Å; L717-C776 PolarHBondContact O-N 3.03Å; F719-C776 HydrophobicContact CE2-CB 4.41Å
777K85.6Confident80Confident54 Ų5443.7 Ų43.724%0.23525%0.246CC..EExtended strand (participates in β ladder)trans-88.5137.2171.7-173.9167.9-177.6142.10110.1L631 V634 E715 Y716L631-K777 WeakPolarHBondContact CB-O 3.48Å; L631-K777 HydrophobicContact CD1-CB 4.15Å; L631-K777 HydrophobicContact CD1-CD 4.49Å; L631-K777 HydrophobicContact CD1-CG 4.2Å; L631-K777 PolarHBondContact N-O 3.44Å; V634-K777 HydrophobicContact CG1-CB 4.09Å; E715-K777 WeakPolarHBondContact OE1-CE 3.49Å; E715-K777 IonicContact OE1-NZ 3.35Å; E715-K777 PolarHBondContact OE1-NZ 3.03Å; Y716-K777 HydrophobicContact CD1-CB 4.06Å; Y716-K777 HydrophobicContact CD1-CG 4.41Å; Y716-K777 HydrophobicContact CE1-CB 3.83Å; Y716-K777 HydrophobicContact CE1-CD 4.05Å; Y716-K777 HydrophobicContact CE1-CG 4Å; Y716-K777 PolarHBondContact OH-NZ 2.86Å
778K78.4Confident79Confident46 Ų4645.9 Ų45.920%0.226%0.259CS..EExtended strand (participates in β ladder)trans-77.1143.6173.2-165.7178.1176.2177.80109.9F629 E714 E715F629-K778 HydrophobicContact CE1-CD 4.39Å; F629-K778 VanDerWaalsContact CE2-CE 3.42Å; F629-K778 HydrophobicContact CZ-CD 4.36Å; F629-K778 VanDerWaalsContact CZ-NZ 3.27Å; F629-K778 WeakPolarHBondContact O-CG 3.43Å; E714-K778 WeakPolarHBondContact O-CD 3.3Å; E715-K778 VanDerWaalsContact O-CB 3.32Å; E715-K778 WeakPolarHBondContact O-CB 3.39Å; E715-K778 PolarHBondContact O-N 3.28Å
779N70.2Confident77.7Confident37 Ų3748.7 Ų48.720%0.19827%0.274CS..PPolyproline II helixtrans-80.4123.1176.4-167.912.2000109.6K628 F629 L631 H781K628-N779 WeakPolarHBondContact O-CB 3.26Å; K628-N779 PolarHBondContact O-ND2 2.68Å; F629-N779 PolarHBondContact O-N 3.25Å; L631-N779 HydrophobicContact CD2-CB 4.33Å; L631-N779 HydrophobicContact CG-CB 4.36Å; N779-H781 VanDerWaalsContact C-N 3.26Å; N779-H781 PolarHBondContact O-N 3.36Å
780S56.4Low76.4Confident104 Ų10451.4 Ų51.473%0.72729%0.29SS*.THydrogen-bonded Turntrans-79.14.9-171.736.10000115.2
781H48.2Very low74.8Confident170 Ų17055.2 Ų55.279%0.78731%0.311SS*.THydrogen-bonded Turntrans-99.620.2-175.9-78-54.6000115.9N779N779-H781 VanDerWaalsContact C-N 3.26Å; N779-H781 PolarHBondContact O-N 3.36Å
782S41Very low73Confident30 Ų3055.1 Ų55.121%0.2132%0.316CS..  trans-128.981.3172.1590000109.5E627E627-S782 VanDerWaalsContact CD-CB 3.46Å
783S30.9Very low70.9Confident185 Ų18557.2 Ų57.2100%1.29433%0.333SS*.  trans-103.50162.853.40000109

Retrieved 783 of 783 residues in 185.3 ms (Link to these results)

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